NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18031 | 2dcr | 6331 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H GLY 1 -10.274 -1.216 -22.371 2 1HA GLY 1 1HA GLY 1 -8.074 -0.188 -22.237 3 2HA GLY 1 2HA GLY 1 -8.468 0.726 -23.688 4 H SER 2 H SER 2 -10.689 0.253 -20.783 5 HA SER 2 HA SER 2 -10.753 3.207 -20.577 6 1HB SER 2 1HB SER 2 -13.246 2.571 -20.096 7 2HB SER 2 2HB SER 2 -12.647 2.836 -21.751 8 HG SER 2 HG SER 2 -13.787 0.988 -21.773 9 H SER 3 H SER 3 -9.576 3.419 -18.765 10 HA SER 3 HA SER 3 -10.919 2.987 -16.301 11 1HB SER 3 1HB SER 3 -8.759 1.823 -15.373 12 2HB SER 3 2HB SER 3 -9.984 0.869 -16.232 13 HG SER 3 HG SER 3 -8.057 1.898 -17.904 14 H GLY 4 H GLY 4 -9.380 4.138 -14.562 15 1HA GLY 4 1HA GLY 4 -8.308 6.577 -15.710 16 2HA GLY 4 2HA GLY 4 -8.279 6.070 -14.013 17 H SER 5 H SER 5 -6.043 7.234 -14.951 18 HA SER 5 HA SER 5 -4.073 5.034 -15.341 19 1HB SER 5 1HB SER 5 -3.781 8.066 -15.325 20 2HB SER 5 2HB SER 5 -2.457 6.900 -15.520 21 HG SER 5 HG SER 5 -3.046 7.438 -17.514 22 H SER 6 H SER 6 -2.060 5.396 -13.786 23 HA SER 6 HA SER 6 -2.927 5.441 -11.018 24 1HB SER 6 1HB SER 6 -0.321 5.229 -10.812 25 2HB SER 6 2HB SER 6 -1.238 3.882 -11.484 26 HG SER 6 HG SER 6 0.532 4.315 -12.828 27 H GLY 7 H GLY 7 -1.395 6.968 -9.545 28 1HA GLY 7 1HA GLY 7 -0.235 9.300 -10.457 29 2HA GLY 7 2HA GLY 7 -1.966 9.683 -10.342 30 H GLU 8 H GLU 8 -1.541 11.160 -8.718 31 HA GLU 8 HA GLU 8 -1.723 11.955 -6.654 32 1HB GLU 8 1HB GLU 8 -2.613 9.078 -6.198 33 2HB GLU 8 2HB GLU 8 -2.592 10.256 -4.900 34 1HG GLU 8 1HG GLU 8 -4.748 10.292 -5.819 35 2HG GLU 8 2HG GLU 8 -3.902 11.810 -6.178 36 H VAL 9 H VAL 9 0.950 10.473 -7.394 37 HA VAL 9 HA VAL 9 2.118 9.440 -5.137 38 HB VAL 9 HB VAL 9 3.608 11.169 -7.152 39 1HG1 VAL 9 1HG1 VAL 9 4.970 10.302 -5.397 40 2HG1 VAL 9 2HG1 VAL 9 4.320 8.675 -5.609 41 3HG1 VAL 9 3HG1 VAL 9 5.338 9.412 -6.879 42 1HG2 VAL 9 1HG2 VAL 9 2.387 8.418 -7.629 43 2HG2 VAL 9 2HG2 VAL 9 2.076 9.901 -8.548 44 3HG2 VAL 9 3HG2 VAL 9 3.664 9.157 -8.644 45 H GLN 10 H GLN 10 2.285 12.800 -6.336 46 HA GLN 10 HA GLN 10 3.810 13.648 -4.045 47 1HB GLN 10 1HB GLN 10 2.534 15.215 -6.346 48 2HB GLN 10 2HB GLN 10 3.773 15.842 -5.252 49 1HG GLN 10 1HG GLN 10 4.107 13.491 -7.173 50 2HG GLN 10 2HG GLN 10 4.683 15.135 -7.450 51 1HE2 GLN 10 2HE2 GLN 10 5.853 12.114 -6.440 52 2HE2 GLN 10 1HE2 GLN 10 7.119 12.692 -5.402 53 H LYS 11 H LYS 11 0.520 13.170 -4.503 54 HA LYS 11 HA LYS 11 -0.581 15.450 -3.021 55 1HB LYS 11 1HB LYS 11 -1.694 12.665 -3.635 56 2HB LYS 11 2HB LYS 11 -2.466 13.740 -2.529 57 1HG LYS 11 1HG LYS 11 -2.216 15.469 -4.602 58 2HG LYS 11 2HG LYS 11 -2.267 13.947 -5.511 59 1HD LYS 11 1HD LYS 11 -4.402 13.342 -4.385 60 2HD LYS 11 2HD LYS 11 -4.246 14.778 -3.357 61 1HE LYS 11 1HE LYS 11 -4.289 16.187 -5.451 62 2HE LYS 11 2HE LYS 11 -4.805 14.732 -6.330 63 1HZ LYS 11 1HZ LYS 11 -6.654 16.156 -5.545 64 2HZ LYS 11 2HZ LYS 11 -6.202 15.875 -3.983 65 3HZ LYS 11 3HZ LYS 11 -6.749 14.647 -4.976 66 HA PRO 12 HA PRO 12 0.384 14.007 1.096 67 1HB PRO 12 1HB PRO 12 -1.924 14.432 2.513 68 2HB PRO 12 2HB PRO 12 -0.799 15.726 2.043 69 1HG PRO 12 1HG PRO 12 -3.353 14.868 0.675 70 2HG PRO 12 2HG PRO 12 -2.823 16.538 1.043 71 1HD PRO 12 1HD PRO 12 -2.507 15.455 -1.412 72 2HD PRO 12 2HD PRO 12 -1.274 16.534 -0.754 73 H LEU 13 H LEU 13 -0.187 12.268 2.571 74 HA LEU 13 HA LEU 13 -1.232 9.906 1.341 75 1HB LEU 13 1HB LEU 13 0.389 10.052 3.178 76 2HB LEU 13 2HB LEU 13 -0.892 10.504 4.306 77 HG LEU 13 HG LEU 13 -1.191 7.937 2.674 78 1HD1 LEU 13 1HD1 LEU 13 0.392 8.156 5.271 79 2HD1 LEU 13 2HD1 LEU 13 1.123 7.993 3.672 80 3HD1 LEU 13 3HD1 LEU 13 0.072 6.703 4.295 81 1HD2 LEU 13 1HD2 LEU 13 -3.014 8.816 4.335 82 2HD2 LEU 13 2HD2 LEU 13 -1.867 8.389 5.614 83 3HD2 LEU 13 3HD2 LEU 13 -2.465 7.156 4.501 84 H HIS 14 H HIS 14 -2.749 12.522 3.232 85 HA HIS 14 HA HIS 14 -5.091 10.974 3.724 86 1HB HIS 14 1HB HIS 14 -6.008 12.914 4.730 87 2HB HIS 14 2HB HIS 14 -4.313 12.836 5.177 88 HD1 HIS 14 HD1 HIS 14 -6.669 14.801 2.816 89 HD2 HIS 14 HD2 HIS 14 -2.983 15.066 4.835 90 HE1 HIS 14 HE1 HIS 14 -5.840 17.200 2.484 91 H GLU 15 H GLU 15 -4.126 12.094 0.743 92 HA GLU 15 HA GLU 15 -6.925 12.359 -0.243 93 1HB GLU 15 1HB GLU 15 -4.534 14.001 -1.159 94 2HB GLU 15 2HB GLU 15 -6.028 13.805 -2.072 95 1HG GLU 15 1HG GLU 15 -7.164 14.683 0.148 96 2HG GLU 15 2HG GLU 15 -5.583 15.443 0.363 97 H GLN 16 H GLN 16 -4.923 10.085 0.065 98 HA GLN 16 HA GLN 16 -4.415 9.325 -2.728 99 1HB GLN 16 1HB GLN 16 -4.364 7.714 -0.142 100 2HB GLN 16 2HB GLN 16 -3.819 7.123 -1.715 101 1HG GLN 16 1HG GLN 16 -2.635 9.446 -0.174 102 2HG GLN 16 2HG GLN 16 -1.918 7.849 -0.349 103 1HE2 GLN 16 2HE2 GLN 16 -1.325 10.875 -1.306 104 2HE2 GLN 16 1HE2 GLN 16 -0.791 10.556 -2.949 105 H LEU 17 H LEU 17 -5.276 7.008 -3.118 106 HA LEU 17 HA LEU 17 -8.253 7.001 -2.965 107 1HB LEU 17 1HB LEU 17 -7.984 5.392 -4.896 108 2HB LEU 17 2HB LEU 17 -7.843 7.080 -5.285 109 HG LEU 17 HG LEU 17 -5.347 5.402 -4.772 110 1HD1 LEU 17 1HD1 LEU 17 -6.689 4.064 -6.305 111 2HD1 LEU 17 2HD1 LEU 17 -5.317 4.787 -7.157 112 3HD1 LEU 17 3HD1 LEU 17 -6.942 5.485 -7.341 113 1HD2 LEU 17 1HD2 LEU 17 -4.342 6.927 -6.426 114 2HD2 LEU 17 2HD2 LEU 17 -5.023 7.845 -5.089 115 3HD2 LEU 17 3HD2 LEU 17 -5.900 7.753 -6.623 116 H TRP 18 H TRP 18 -5.326 5.007 -2.895 117 HA TRP 18 HA TRP 18 -6.679 2.566 -2.080 118 1HB TRP 18 1HB TRP 18 -4.258 1.803 -1.877 119 2HB TRP 18 2HB TRP 18 -4.872 2.209 -3.449 120 HD1 TRP 18 HD1 TRP 18 -3.370 3.814 -4.843 121 HE1 TRP 18 HE1 TRP 18 -1.289 5.196 -4.413 122 HE3 TRP 18 HE3 TRP 18 -3.174 3.450 0.288 123 HZ2 TRP 18 HZ2 TRP 18 0.186 6.091 -2.213 124 HZ3 TRP 18 HZ3 TRP 18 -1.437 4.664 1.547 125 HH2 TRP 18 HH2 TRP 18 0.304 5.948 0.339 126 H TYR 19 H TYR 19 -5.947 5.305 -0.337 127 HA TYR 19 HA TYR 19 -4.998 3.906 2.074 128 1HB TYR 19 1HB TYR 19 -4.029 6.046 1.610 129 2HB TYR 19 2HB TYR 19 -5.622 6.799 1.505 130 HD1 TYR 19 HD1 TYR 19 -5.774 8.310 3.267 131 HD2 TYR 19 HD2 TYR 19 -4.288 4.316 4.040 132 HE1 TYR 19 HE1 TYR 19 -5.973 8.699 5.659 133 HE2 TYR 19 HE2 TYR 19 -4.553 4.641 6.411 134 HH TYR 19 HH TYR 19 -6.107 7.517 7.853 135 H HIS 20 H HIS 20 -6.818 2.473 2.505 136 HA HIS 20 HA HIS 20 -9.509 3.543 2.412 137 1HB HIS 20 1HB HIS 20 -8.441 0.869 3.339 138 2HB HIS 20 2HB HIS 20 -10.094 1.386 3.588 139 HD1 HIS 20 HD1 HIS 20 -11.542 0.239 1.902 140 HD2 HIS 20 HD2 HIS 20 -7.854 1.550 0.328 141 HE1 HIS 20 HE1 HIS 20 -11.596 -0.188 -0.637 142 H GLY 21 H GLY 21 -7.268 2.807 5.278 143 1HA GLY 21 1HA GLY 21 -7.267 4.416 7.032 144 2HA GLY 21 2HA GLY 21 -9.027 4.430 6.966 145 H ALA 22 H ALA 22 -9.313 3.584 8.917 146 HA ALA 22 HA ALA 22 -8.104 1.118 9.941 147 1HB ALA 22 1HB ALA 22 -10.564 2.630 10.916 148 2HB ALA 22 2HB ALA 22 -9.757 1.304 11.768 149 3HB ALA 22 3HB ALA 22 -8.900 2.835 11.506 150 H ILE 23 H ILE 23 -8.494 -0.702 8.692 151 HA ILE 23 HA ILE 23 -11.317 -1.511 8.355 152 HB ILE 23 HB ILE 23 -11.292 -1.526 6.190 153 1HG1 ILE 23 1HG1 ILE 23 -8.696 -3.125 6.149 154 2HG1 ILE 23 2HG1 ILE 23 -10.345 -3.757 6.307 155 1HG2 ILE 23 1HG2 ILE 23 -9.671 -0.454 4.804 156 2HG2 ILE 23 2HG2 ILE 23 -9.843 0.481 6.262 157 3HG2 ILE 23 3HG2 ILE 23 -8.411 -0.561 6.036 158 1HD1 ILE 23 1HD1 ILE 23 -9.287 -2.377 3.853 159 2HD1 ILE 23 2HD1 ILE 23 -9.630 -4.094 4.080 160 3HD1 ILE 23 3HD1 ILE 23 -10.961 -2.926 4.140 161 HA PRO 24 HA PRO 24 -9.680 -5.172 10.362 162 1HB PRO 24 1HB PRO 24 -11.552 -7.040 9.743 163 2HB PRO 24 2HB PRO 24 -11.914 -5.697 10.849 164 1HG PRO 24 1HG PRO 24 -12.441 -5.950 7.889 165 2HG PRO 24 2HG PRO 24 -13.620 -5.465 9.140 166 1HD PRO 24 1HD PRO 24 -12.307 -3.602 7.641 167 2HD PRO 24 2HD PRO 24 -12.617 -3.325 9.375 168 H ARG 25 H ARG 25 -8.935 -7.519 9.801 169 HA ARG 25 HA ARG 25 -7.635 -7.378 7.219 170 1HB ARG 25 1HB ARG 25 -6.551 -9.407 7.673 171 2HB ARG 25 2HB ARG 25 -6.610 -8.554 9.213 172 1HG ARG 25 1HG ARG 25 -8.383 -10.025 10.021 173 2HG ARG 25 2HG ARG 25 -8.612 -10.731 8.425 174 1HD ARG 25 1HD ARG 25 -7.394 -12.323 9.696 175 2HD ARG 25 2HD ARG 25 -6.351 -11.669 8.434 176 HE ARG 25 HE ARG 25 -4.885 -11.157 9.995 177 1HH1 ARG 25 2HH1 ARG 25 -8.056 -11.129 11.696 178 2HH1 ARG 25 1HH1 ARG 25 -7.347 -10.896 13.243 179 1HH2 ARG 25 2HH2 ARG 25 -4.007 -10.843 12.096 180 2HH2 ARG 25 1HH2 ARG 25 -5.048 -10.629 13.481 181 H ALA 26 H ALA 26 -10.720 -8.786 8.178 182 HA ALA 26 HA ALA 26 -10.756 -10.649 5.979 183 1HB ALA 26 1HB ALA 26 -13.169 -10.843 6.495 184 2HB ALA 26 2HB ALA 26 -12.153 -11.027 7.941 185 3HB ALA 26 3HB ALA 26 -13.023 -9.498 7.642 186 H GLU 27 H GLU 27 -11.882 -7.292 6.405 187 HA GLU 27 HA GLU 27 -13.498 -7.102 4.090 188 1HB GLU 27 1HB GLU 27 -11.972 -5.132 5.799 189 2HB GLU 27 2HB GLU 27 -12.773 -4.564 4.342 190 1HG GLU 27 1HG GLU 27 -14.224 -6.136 6.508 191 2HG GLU 27 2HG GLU 27 -14.103 -4.375 6.511 192 H VAL 28 H VAL 28 -9.994 -6.750 4.495 193 HA VAL 28 HA VAL 28 -9.166 -5.623 2.142 194 HB VAL 28 HB VAL 28 -8.005 -8.102 3.482 195 1HG1 VAL 28 1HG1 VAL 28 -5.875 -7.511 2.439 196 2HG1 VAL 28 2HG1 VAL 28 -7.096 -7.839 1.221 197 3HG1 VAL 28 3HG1 VAL 28 -6.661 -6.155 1.575 198 1HG2 VAL 28 1HG2 VAL 28 -7.279 -5.160 3.863 199 2HG2 VAL 28 2HG2 VAL 28 -8.160 -6.161 5.030 200 3HG2 VAL 28 3HG2 VAL 28 -6.487 -6.552 4.640 201 H ALA 29 H ALA 29 -9.744 -9.185 2.424 202 HA ALA 29 HA ALA 29 -9.318 -9.563 -0.349 203 1HB ALA 29 1HB ALA 29 -9.555 -11.212 1.836 204 2HB ALA 29 2HB ALA 29 -11.026 -11.556 0.929 205 3HB ALA 29 3HB ALA 29 -9.436 -11.731 0.120 206 H GLU 30 H GLU 30 -12.143 -8.389 1.224 207 HA GLU 30 HA GLU 30 -14.057 -9.191 -0.830 208 1HB GLU 30 1HB GLU 30 -15.104 -8.904 1.201 209 2HB GLU 30 2HB GLU 30 -14.099 -7.598 1.702 210 1HG GLU 30 1HG GLU 30 -16.289 -6.736 1.441 211 2HG GLU 30 2HG GLU 30 -15.280 -6.013 0.206 212 H LEU 31 H LEU 31 -11.804 -6.525 -0.180 213 HA LEU 31 HA LEU 31 -12.952 -4.739 -2.191 214 1HB LEU 31 1HB LEU 31 -10.312 -4.594 -0.672 215 2HB LEU 31 2HB LEU 31 -11.072 -3.306 -1.554 216 HG LEU 31 HG LEU 31 -12.406 -4.547 0.901 217 1HD1 LEU 31 1HD1 LEU 31 -11.524 -2.529 2.068 218 2HD1 LEU 31 2HD1 LEU 31 -10.487 -2.251 0.659 219 3HD1 LEU 31 3HD1 LEU 31 -10.320 -3.745 1.621 220 1HD2 LEU 31 1HD2 LEU 31 -12.826 -1.953 -0.639 221 2HD2 LEU 31 2HD2 LEU 31 -13.459 -2.233 0.988 222 3HD2 LEU 31 3HD2 LEU 31 -13.990 -3.275 -0.347 223 H LEU 32 H LEU 32 -10.055 -6.782 -1.735 224 HA LEU 32 HA LEU 32 -8.880 -5.947 -4.297 225 1HB LEU 32 1HB LEU 32 -7.943 -8.366 -2.745 226 2HB LEU 32 2HB LEU 32 -7.048 -7.265 -3.768 227 HG LEU 32 HG LEU 32 -7.897 -6.838 -0.909 228 1HD1 LEU 32 1HD1 LEU 32 -6.005 -8.268 -1.215 229 2HD1 LEU 32 2HD1 LEU 32 -5.541 -6.736 -0.452 230 3HD1 LEU 32 3HD1 LEU 32 -5.230 -6.974 -2.174 231 1HD2 LEU 32 1HD2 LEU 32 -6.546 -4.804 -2.685 232 2HD2 LEU 32 2HD2 LEU 32 -6.608 -4.722 -0.925 233 3HD2 LEU 32 3HD2 LEU 32 -8.118 -4.654 -1.834 234 H VAL 33 H VAL 33 -9.098 -7.089 -6.216 235 HA VAL 33 HA VAL 33 -10.326 -9.818 -6.088 236 HB VAL 33 HB VAL 33 -11.001 -7.891 -8.315 237 1HG1 VAL 33 1HG1 VAL 33 -13.010 -9.287 -8.499 238 2HG1 VAL 33 2HG1 VAL 33 -11.563 -10.298 -8.514 239 3HG1 VAL 33 3HG1 VAL 33 -12.543 -10.187 -7.038 240 1HG2 VAL 33 1HG2 VAL 33 -13.091 -7.220 -7.205 241 2HG2 VAL 33 2HG2 VAL 33 -12.537 -7.977 -5.694 242 3HG2 VAL 33 3HG2 VAL 33 -11.684 -6.574 -6.387 243 H HIS 34 H HIS 34 -8.078 -7.568 -7.596 244 HA HIS 34 HA HIS 34 -7.369 -9.591 -9.609 245 1HB HIS 34 1HB HIS 34 -6.406 -6.740 -9.450 246 2HB HIS 34 2HB HIS 34 -6.495 -7.807 -10.849 247 HD1 HIS 34 HD1 HIS 34 -8.464 -5.209 -9.053 248 HD2 HIS 34 HD2 HIS 34 -9.360 -8.631 -11.253 249 HE1 HIS 34 HE1 HIS 34 -10.825 -4.866 -9.937 250 H SER 35 H SER 35 -5.232 -10.444 -9.722 251 HA SER 35 HA SER 35 -3.586 -10.388 -7.365 252 1HB SER 35 1HB SER 35 -1.888 -11.358 -8.997 253 2HB SER 35 2HB SER 35 -3.400 -12.278 -8.864 254 HG SER 35 HG SER 35 -2.715 -10.365 -10.849 255 H GLY 36 H GLY 36 -2.732 -8.452 -6.684 256 1HA GLY 36 1HA GLY 36 -0.880 -6.802 -7.418 257 2HA GLY 36 2HA GLY 36 -1.931 -6.532 -8.806 258 H ASP 37 H ASP 37 -4.378 -6.823 -6.940 259 HA ASP 37 HA ASP 37 -4.808 -4.018 -6.463 260 1HB ASP 37 1HB ASP 37 -6.234 -6.564 -5.741 261 2HB ASP 37 2HB ASP 37 -6.612 -5.129 -4.812 262 H PHE 38 H PHE 38 -4.106 -2.824 -4.767 263 HA PHE 38 HA PHE 38 -3.612 -4.166 -2.195 264 1HB PHE 38 1HB PHE 38 -1.660 -2.745 -1.762 265 2HB PHE 38 2HB PHE 38 -1.376 -3.780 -3.148 266 HD1 PHE 38 HD1 PHE 38 -0.854 -2.894 -5.310 267 HD2 PHE 38 HD2 PHE 38 -2.197 -0.276 -2.151 268 HE1 PHE 38 HE1 PHE 38 -0.421 -0.921 -6.757 269 HE2 PHE 38 HE2 PHE 38 -1.728 1.679 -3.596 270 HZ PHE 38 HZ PHE 38 -0.877 1.375 -5.874 271 H LEU 39 H LEU 39 -3.789 -2.791 -0.397 272 HA LEU 39 HA LEU 39 -4.758 -0.064 -0.719 273 1HB LEU 39 1HB LEU 39 -6.638 -0.265 0.664 274 2HB LEU 39 2HB LEU 39 -6.786 -1.523 -0.526 275 HG LEU 39 HG LEU 39 -5.628 -2.973 1.528 276 1HD1 LEU 39 1HD1 LEU 39 -6.834 -2.332 3.589 277 2HD1 LEU 39 2HD1 LEU 39 -6.987 -0.701 2.911 278 3HD1 LEU 39 3HD1 LEU 39 -5.381 -1.419 3.192 279 1HD2 LEU 39 1HD2 LEU 39 -7.868 -3.327 0.332 280 2HD2 LEU 39 2HD2 LEU 39 -8.523 -2.166 1.495 281 3HD2 LEU 39 3HD2 LEU 39 -7.868 -3.720 2.058 282 H VAL 40 H VAL 40 -4.533 1.083 1.374 283 HA VAL 40 HA VAL 40 -2.641 -0.225 3.261 284 HB VAL 40 HB VAL 40 -2.794 2.713 2.504 285 1HG1 VAL 40 1HG1 VAL 40 -1.114 1.258 4.600 286 2HG1 VAL 40 2HG1 VAL 40 -0.824 2.920 4.037 287 3HG1 VAL 40 3HG1 VAL 40 -2.324 2.539 4.895 288 1HG2 VAL 40 1HG2 VAL 40 -1.597 1.273 0.879 289 2HG2 VAL 40 2HG2 VAL 40 -0.450 2.302 1.744 290 3HG2 VAL 40 3HG2 VAL 40 -0.621 0.586 2.182 291 H ARG 41 H ARG 41 -3.276 -0.354 5.278 292 HA ARG 41 HA ARG 41 -5.848 0.878 6.053 293 1HB ARG 41 1HB ARG 41 -6.527 -1.208 7.100 294 2HB ARG 41 2HB ARG 41 -6.088 -1.537 5.400 295 1HG ARG 41 1HG ARG 41 -3.906 -2.340 6.096 296 2HG ARG 41 2HG ARG 41 -4.251 -2.035 7.797 297 1HD ARG 41 1HD ARG 41 -5.954 -3.869 6.103 298 2HD ARG 41 2HD ARG 41 -4.492 -4.418 6.912 299 HE ARG 41 HE ARG 41 -7.059 -3.666 8.152 300 1HH1 ARG 41 2HH1 ARG 41 -3.628 -3.858 8.909 301 2HH1 ARG 41 1HH1 ARG 41 -3.849 -4.317 10.557 302 1HH2 ARG 41 2HH2 ARG 41 -7.369 -3.890 10.338 303 2HH2 ARG 41 1HH2 ARG 41 -6.103 -4.311 11.438 304 H GLU 42 H GLU 42 -6.085 0.961 8.464 305 HA GLU 42 HA GLU 42 -3.465 1.123 9.898 306 1HB GLU 42 1HB GLU 42 -4.985 3.113 9.901 307 2HB GLU 42 2HB GLU 42 -6.175 2.151 10.784 308 1HG GLU 42 1HG GLU 42 -3.638 1.987 12.211 309 2HG GLU 42 2HG GLU 42 -3.891 3.654 11.757 310 H SER 43 H SER 43 -3.212 0.138 11.894 311 HA SER 43 HA SER 43 -4.292 -2.467 12.161 312 1HB SER 43 1HB SER 43 -1.953 -1.654 12.682 313 2HB SER 43 2HB SER 43 -2.609 -0.847 14.117 314 HG SER 43 HG SER 43 -1.705 -2.963 14.468 315 H GLN 44 H GLN 44 -4.533 -2.743 14.889 316 HA GLN 44 HA GLN 44 -7.358 -2.026 15.176 317 1HB GLN 44 1HB GLN 44 -5.551 -3.762 16.914 318 2HB GLN 44 2HB GLN 44 -7.306 -3.618 17.025 319 1HG GLN 44 1HG GLN 44 -6.902 -5.635 15.873 320 2HG GLN 44 2HG GLN 44 -7.509 -4.492 14.688 321 1HE2 GLN 44 2HE2 GLN 44 -4.327 -5.681 16.023 322 2HE2 GLN 44 1HE2 GLN 44 -3.512 -5.718 14.506 323 H GLY 45 H GLY 45 -6.144 0.383 15.300 324 1HA GLY 45 1HA GLY 45 -6.382 2.240 16.599 325 2HA GLY 45 2HA GLY 45 -6.540 1.272 18.058 326 H LYS 46 H LYS 46 -3.874 0.394 16.102 327 HA LYS 46 HA LYS 46 -1.933 1.829 17.869 328 1HB LYS 46 1HB LYS 46 -1.204 -0.192 15.727 329 2HB LYS 46 2HB LYS 46 -0.291 0.293 17.133 330 1HG LYS 46 1HG LYS 46 -2.714 -1.556 17.009 331 2HG LYS 46 2HG LYS 46 -1.035 -1.932 17.392 332 1HD LYS 46 1HD LYS 46 -1.242 -0.525 19.472 333 2HD LYS 46 2HD LYS 46 -2.949 -0.302 19.114 334 1HE LYS 46 1HE LYS 46 -2.842 -2.018 20.720 335 2HE LYS 46 2HE LYS 46 -3.239 -2.821 19.192 336 1HZ LYS 46 1HZ LYS 46 -0.946 -3.562 19.057 337 2HZ LYS 46 2HZ LYS 46 -1.484 -3.917 20.568 338 3HZ LYS 46 3HZ LYS 46 -0.513 -2.635 20.349 339 H GLN 47 H GLN 47 -0.518 3.384 16.845 340 HA GLN 47 HA GLN 47 -1.570 4.573 14.484 341 1HB GLN 47 1HB GLN 47 0.912 5.212 16.074 342 2HB GLN 47 2HB GLN 47 0.283 6.216 14.770 343 1HG GLN 47 1HG GLN 47 -1.452 5.401 17.106 344 2HG GLN 47 2HG GLN 47 -0.382 6.808 17.195 345 1HE2 GLN 47 2HE2 GLN 47 -3.471 6.306 17.108 346 2HE2 GLN 47 1HE2 GLN 47 -4.034 7.522 15.982 347 H GLU 48 H GLU 48 -0.995 2.097 13.552 348 HA GLU 48 HA GLU 48 1.570 2.164 12.085 349 1HB GLU 48 1HB GLU 48 2.026 1.003 14.034 350 2HB GLU 48 2HB GLU 48 0.474 0.143 14.036 351 1HG GLU 48 1HG GLU 48 1.119 -1.296 12.295 352 2HG GLU 48 2HG GLU 48 2.516 -0.290 11.852 353 H TYR 49 H TYR 49 1.248 1.846 10.130 354 HA TYR 49 HA TYR 49 -1.390 0.978 9.141 355 1HB TYR 49 1HB TYR 49 0.974 2.195 7.693 356 2HB TYR 49 2HB TYR 49 -0.526 1.706 6.902 357 HD1 TYR 49 HD1 TYR 49 1.149 4.534 7.790 358 HD2 TYR 49 HD2 TYR 49 -2.714 2.687 8.353 359 HE1 TYR 49 HE1 TYR 49 0.145 6.754 8.058 360 HE2 TYR 49 HE2 TYR 49 -3.718 4.942 8.705 361 HH TYR 49 HH TYR 49 -1.848 7.960 8.212 362 H VAL 50 H VAL 50 -1.518 -0.498 7.294 363 HA VAL 50 HA VAL 50 0.594 -2.574 7.076 364 HB VAL 50 HB VAL 50 -2.318 -2.955 7.777 365 1HG1 VAL 50 1HG1 VAL 50 -1.951 -4.531 5.932 366 2HG1 VAL 50 2HG1 VAL 50 -0.509 -5.165 6.744 367 3HG1 VAL 50 3HG1 VAL 50 -2.117 -5.391 7.462 368 1HG2 VAL 50 1HG2 VAL 50 -0.615 -2.874 9.653 369 2HG2 VAL 50 2HG2 VAL 50 -1.576 -4.334 9.597 370 3HG2 VAL 50 3HG2 VAL 50 0.083 -4.364 8.965 371 H LEU 51 H LEU 51 0.811 -3.237 5.043 372 HA LEU 51 HA LEU 51 -0.812 -2.107 2.879 373 1HB LEU 51 1HB LEU 51 1.790 -2.073 3.013 374 2HB LEU 51 2HB LEU 51 1.753 -3.810 2.905 375 HG LEU 51 HG LEU 51 0.834 -3.705 0.668 376 1HD1 LEU 51 1HD1 LEU 51 0.667 -1.507 -0.546 377 2HD1 LEU 51 2HD1 LEU 51 0.938 -0.658 0.984 378 3HD1 LEU 51 3HD1 LEU 51 -0.529 -1.635 0.735 379 1HD2 LEU 51 1HD2 LEU 51 2.831 -2.710 -0.409 380 2HD2 LEU 51 2HD2 LEU 51 3.307 -3.535 1.092 381 3HD2 LEU 51 3HD2 LEU 51 3.177 -1.766 1.061 382 H SER 52 H SER 52 -2.305 -3.397 1.889 383 HA SER 52 HA SER 52 -2.342 -6.288 2.604 384 1HB SER 52 1HB SER 52 -4.894 -4.741 2.429 385 2HB SER 52 2HB SER 52 -4.476 -6.164 3.386 386 HG SER 52 HG SER 52 -3.573 -3.522 3.853 387 H VAL 53 H VAL 53 -2.152 -7.403 0.698 388 HA VAL 53 HA VAL 53 -3.142 -6.244 -1.800 389 HB VAL 53 HB VAL 53 -1.047 -5.315 -1.393 390 1HG1 VAL 53 1HG1 VAL 53 0.147 -8.050 -0.856 391 2HG1 VAL 53 2HG1 VAL 53 1.031 -6.507 -0.926 392 3HG1 VAL 53 3HG1 VAL 53 -0.119 -6.780 0.363 393 1HG2 VAL 53 1HG2 VAL 53 -0.595 -7.641 -3.299 394 2HG2 VAL 53 2HG2 VAL 53 -1.355 -6.101 -3.715 395 3HG2 VAL 53 3HG2 VAL 53 0.353 -6.153 -3.258 396 H LEU 54 H LEU 54 -3.668 -7.777 -3.425 397 HA LEU 54 HA LEU 54 -3.979 -10.521 -2.375 398 1HB LEU 54 1HB LEU 54 -5.835 -9.034 -3.370 399 2HB LEU 54 2HB LEU 54 -5.097 -9.303 -4.925 400 HG LEU 54 HG LEU 54 -5.444 -11.852 -4.359 401 1HD1 LEU 54 1HD1 LEU 54 -7.372 -10.686 -2.359 402 2HD1 LEU 54 2HD1 LEU 54 -5.905 -11.652 -2.034 403 3HD1 LEU 54 3HD1 LEU 54 -7.262 -12.383 -2.879 404 1HD2 LEU 54 1HD2 LEU 54 -6.711 -10.642 -6.085 405 2HD2 LEU 54 2HD2 LEU 54 -7.844 -10.069 -4.844 406 3HD2 LEU 54 3HD2 LEU 54 -7.734 -11.798 -5.223 407 H TRP 55 H TRP 55 -2.465 -12.040 -2.997 408 HA TRP 55 HA TRP 55 -1.257 -11.822 -5.702 409 1HB TRP 55 1HB TRP 55 0.140 -10.876 -3.640 410 2HB TRP 55 2HB TRP 55 0.373 -12.584 -3.288 411 HD1 TRP 55 HD1 TRP 55 2.722 -13.170 -3.969 412 HE1 TRP 55 HE1 TRP 55 4.308 -12.681 -5.892 413 HE3 TRP 55 HE3 TRP 55 -0.311 -10.071 -6.709 414 HZ2 TRP 55 HZ2 TRP 55 4.464 -10.667 -7.980 415 HZ3 TRP 55 HZ3 TRP 55 0.652 -8.767 -8.590 416 HH2 TRP 55 HH2 TRP 55 3.087 -8.994 -9.160 417 H ASP 56 H ASP 56 -1.419 -13.810 -6.711 418 HA ASP 56 HA ASP 56 -2.057 -15.955 -7.013 419 1HB ASP 56 1HB ASP 56 -0.142 -16.165 -4.674 420 2HB ASP 56 2HB ASP 56 -0.797 -17.580 -5.463 421 H GLY 57 H GLY 57 -4.026 -14.510 -5.829 422 1HA GLY 57 1HA GLY 57 -6.151 -14.818 -4.991 423 2HA GLY 57 2HA GLY 57 -5.821 -16.549 -4.965 424 H LEU 58 H LEU 58 -3.906 -14.190 -3.136 425 HA LEU 58 HA LEU 58 -5.107 -15.086 -0.588 426 1HB LEU 58 1HB LEU 58 -3.299 -16.661 -1.247 427 2HB LEU 58 2HB LEU 58 -2.169 -15.325 -1.264 428 HG LEU 58 HG LEU 58 -1.914 -16.673 0.700 429 1HD1 LEU 58 1HD1 LEU 58 -1.608 -14.136 0.860 430 2HD1 LEU 58 2HD1 LEU 58 -1.736 -15.057 2.365 431 3HD1 LEU 58 3HD1 LEU 58 -3.124 -14.131 1.789 432 1HD2 LEU 58 1HD2 LEU 58 -3.630 -16.864 2.455 433 2HD2 LEU 58 2HD2 LEU 58 -4.185 -17.569 0.918 434 3HD2 LEU 58 3HD2 LEU 58 -4.776 -15.988 1.451 435 HA PRO 59 HA PRO 59 -4.266 -10.591 -0.335 436 1HB PRO 59 1HB PRO 59 -5.825 -10.023 1.802 437 2HB PRO 59 2HB PRO 59 -6.517 -10.370 0.184 438 1HG PRO 59 1HG PRO 59 -6.088 -12.318 2.467 439 2HG PRO 59 2HG PRO 59 -7.602 -12.034 1.544 440 1HD PRO 59 1HD PRO 59 -5.921 -14.057 1.024 441 2HD PRO 59 2HD PRO 59 -6.751 -13.195 -0.309 442 H ARG 60 H ARG 60 -2.089 -10.822 0.148 443 HA ARG 60 HA ARG 60 -1.032 -11.749 2.671 444 1HB ARG 60 1HB ARG 60 0.100 -9.765 0.658 445 2HB ARG 60 2HB ARG 60 1.019 -10.578 1.920 446 1HG ARG 60 1HG ARG 60 -0.361 -12.112 -0.319 447 2HG ARG 60 2HG ARG 60 1.228 -11.422 -0.503 448 1HD ARG 60 1HD ARG 60 1.869 -12.680 1.674 449 2HD ARG 60 2HD ARG 60 0.399 -13.615 1.422 450 HE ARG 60 HE ARG 60 2.893 -14.061 0.248 451 1HH1 ARG 60 2HH1 ARG 60 -0.469 -13.873 -1.011 452 2HH1 ARG 60 1HH1 ARG 60 -0.120 -14.851 -2.362 453 1HH2 ARG 60 2HH2 ARG 60 3.300 -15.449 -1.552 454 2HH2 ARG 60 1HH2 ARG 60 2.086 -15.649 -2.721 455 H HIS 61 H HIS 61 -0.075 -10.359 4.331 456 HA HIS 61 HA HIS 61 -1.086 -7.586 4.511 457 1HB HIS 61 1HB HIS 61 -1.690 -7.952 6.851 458 2HB HIS 61 2HB HIS 61 -2.664 -8.958 5.797 459 HD1 HIS 61 HD1 HIS 61 -0.594 -9.244 8.887 460 HD2 HIS 61 HD2 HIS 61 -1.812 -11.684 5.655 461 HE1 HIS 61 HE1 HIS 61 -0.185 -11.632 9.597 462 H PHE 62 H PHE 62 0.742 -6.374 4.617 463 HA PHE 62 HA PHE 62 3.076 -7.392 6.203 464 1HB PHE 62 1HB PHE 62 3.294 -5.572 3.756 465 2HB PHE 62 2HB PHE 62 4.577 -6.304 4.697 466 HD1 PHE 62 HD1 PHE 62 5.035 -8.764 4.491 467 HD2 PHE 62 HD2 PHE 62 2.166 -6.744 1.988 468 HE1 PHE 62 HE1 PHE 62 5.007 -10.720 2.929 469 HE2 PHE 62 HE2 PHE 62 2.182 -8.639 0.428 470 HZ PHE 62 HZ PHE 62 3.551 -10.682 0.924 471 H ILE 63 H ILE 63 3.610 -5.974 7.876 472 HA ILE 63 HA ILE 63 2.039 -3.571 8.305 473 HB ILE 63 HB ILE 63 4.580 -4.720 9.483 474 1HG1 ILE 63 1HG1 ILE 63 2.237 -5.658 9.995 475 2HG1 ILE 63 2HG1 ILE 63 3.295 -5.282 11.338 476 1HG2 ILE 63 1HG2 ILE 63 4.302 -2.881 11.282 477 2HG2 ILE 63 2HG2 ILE 63 5.043 -2.441 9.739 478 3HG2 ILE 63 3HG2 ILE 63 3.358 -2.006 10.056 479 1HD1 ILE 63 1HD1 ILE 63 0.706 -4.541 11.280 480 2HD1 ILE 63 2HD1 ILE 63 1.945 -3.606 12.133 481 3HD1 ILE 63 3HD1 ILE 63 1.392 -3.102 10.529 482 H ILE 64 H ILE 64 2.403 -1.478 7.648 483 HA ILE 64 HA ILE 64 4.162 -0.985 5.469 484 HB ILE 64 HB ILE 64 2.667 0.827 7.373 485 1HG1 ILE 64 1HG1 ILE 64 1.333 -0.531 5.728 486 2HG1 ILE 64 2HG1 ILE 64 1.120 1.203 5.602 487 1HG2 ILE 64 1HG2 ILE 64 4.451 2.216 6.706 488 2HG2 ILE 64 2HG2 ILE 64 4.451 1.597 5.041 489 3HG2 ILE 64 3HG2 ILE 64 3.131 2.635 5.626 490 1HD1 ILE 64 1HD1 ILE 64 2.461 1.336 3.622 491 2HD1 ILE 64 2HD1 ILE 64 2.921 -0.378 3.786 492 3HD1 ILE 64 3HD1 ILE 64 1.231 0.081 3.439 493 H GLN 65 H GLN 65 6.005 -0.322 5.461 494 HA GLN 65 HA GLN 65 8.078 -0.719 7.210 495 1HB GLN 65 1HB GLN 65 8.014 1.498 5.131 496 2HB GLN 65 2HB GLN 65 9.377 0.490 5.594 497 1HG GLN 65 1HG GLN 65 8.780 -0.561 3.595 498 2HG GLN 65 2HG GLN 65 7.789 -1.470 4.711 499 1HE2 GLN 65 2HE2 GLN 65 7.792 1.260 2.322 500 2HE2 GLN 65 1HE2 GLN 65 6.144 0.929 1.835 501 H SER 66 H SER 66 9.510 0.843 8.279 502 HA SER 66 HA SER 66 9.112 3.543 8.705 503 1HB SER 66 1HB SER 66 7.031 3.140 9.893 504 2HB SER 66 2HB SER 66 7.779 1.802 10.775 505 HG SER 66 HG SER 66 7.912 3.353 12.186 506 H LEU 67 H LEU 67 11.018 4.084 9.303 507 HA LEU 67 HA LEU 67 12.790 2.239 10.872 508 1HB LEU 67 1HB LEU 67 14.703 3.255 9.559 509 2HB LEU 67 2HB LEU 67 13.745 2.037 8.758 510 HG LEU 67 HG LEU 67 13.314 5.025 8.251 511 1HD1 LEU 67 1HD1 LEU 67 15.179 3.079 6.849 512 2HD1 LEU 67 2HD1 LEU 67 15.621 4.554 7.718 513 3HD1 LEU 67 3HD1 LEU 67 14.706 4.663 6.203 514 1HD2 LEU 67 1HD2 LEU 67 12.242 2.506 7.083 515 2HD2 LEU 67 2HD2 LEU 67 12.585 3.837 5.950 516 3HD2 LEU 67 3HD2 LEU 67 11.473 4.057 7.306 517 H ASP 68 H ASP 68 12.200 5.607 9.837 518 HA ASP 68 HA ASP 68 13.578 6.640 12.258 519 1HB ASP 68 1HB ASP 68 14.884 6.234 9.882 520 2HB ASP 68 2HB ASP 68 14.203 7.806 9.522 521 H ASN 69 H ASN 69 12.589 8.182 9.277 522 HA ASN 69 HA ASN 69 9.933 8.975 10.201 523 1HB ASN 69 1HB ASN 69 11.654 10.670 10.902 524 2HB ASN 69 2HB ASN 69 12.158 10.810 9.216 525 1HD2 ASN 69 2HD2 ASN 69 8.985 10.815 11.065 526 2HD2 ASN 69 1HD2 ASN 69 8.397 12.267 10.303 527 H LEU 70 H LEU 70 11.064 7.039 8.302 528 HA LEU 70 HA LEU 70 10.159 8.069 5.661 529 1HB LEU 70 1HB LEU 70 12.477 6.158 5.999 530 2HB LEU 70 2HB LEU 70 11.994 6.972 4.556 531 HG LEU 70 HG LEU 70 12.995 8.640 6.889 532 1HD1 LEU 70 1HD1 LEU 70 14.627 6.934 6.715 533 2HD1 LEU 70 2HD1 LEU 70 15.271 8.389 5.948 534 3HD1 LEU 70 3HD1 LEU 70 14.674 7.062 4.923 535 1HD2 LEU 70 1HD2 LEU 70 13.737 10.094 5.064 536 2HD2 LEU 70 2HD2 LEU 70 11.982 9.768 4.956 537 3HD2 LEU 70 3HD2 LEU 70 13.118 8.949 3.855 538 H TYR 71 H TYR 71 10.240 5.875 4.165 539 HA TYR 71 HA TYR 71 9.237 3.518 5.664 540 1HB TYR 71 1HB TYR 71 7.908 4.693 3.129 541 2HB TYR 71 2HB TYR 71 7.317 3.354 4.097 542 HD1 TYR 71 HD1 TYR 71 6.349 3.792 6.331 543 HD2 TYR 71 HD2 TYR 71 7.579 7.015 3.795 544 HE1 TYR 71 HE1 TYR 71 5.294 5.372 7.897 545 HE2 TYR 71 HE2 TYR 71 6.509 8.644 5.338 546 HH TYR 71 HH TYR 71 5.216 7.579 8.496 547 H ARG 72 H ARG 72 10.500 1.735 4.706 548 HA ARG 72 HA ARG 72 11.617 2.031 1.964 549 1HB ARG 72 1HB ARG 72 13.784 1.227 2.764 550 2HB ARG 72 2HB ARG 72 13.365 2.761 3.513 551 1HG ARG 72 1HG ARG 72 14.116 1.723 5.378 552 2HG ARG 72 2HG ARG 72 12.454 1.168 5.452 553 1HD ARG 72 1HD ARG 72 13.284 -0.876 5.715 554 2HD ARG 72 2HD ARG 72 13.556 -0.866 4.003 555 HE ARG 72 HE ARG 72 15.826 -0.769 4.364 556 1HH1 ARG 72 2HH1 ARG 72 14.158 0.081 7.406 557 2HH1 ARG 72 1HH1 ARG 72 15.606 0.133 8.346 558 1HH2 ARG 72 2HH2 ARG 72 17.698 -1.013 5.682 559 2HH2 ARG 72 1HH2 ARG 72 17.598 -0.719 7.382 560 H LEU 73 H LEU 73 11.323 0.093 0.810 561 HA LEU 73 HA LEU 73 10.530 -2.254 2.471 562 1HB LEU 73 1HB LEU 73 8.618 -0.990 1.322 563 2HB LEU 73 2HB LEU 73 9.229 -1.641 -0.205 564 HG LEU 73 HG LEU 73 8.907 -3.831 0.352 565 1HD1 LEU 73 1HD1 LEU 73 8.041 -2.992 3.157 566 2HD1 LEU 73 2HD1 LEU 73 9.401 -4.067 2.734 567 3HD1 LEU 73 3HD1 LEU 73 7.752 -4.579 2.445 568 1HD2 LEU 73 1HD2 LEU 73 6.458 -3.798 0.608 569 2HD2 LEU 73 2HD2 LEU 73 7.053 -2.505 -0.456 570 3HD2 LEU 73 3HD2 LEU 73 6.539 -2.137 1.212 571 H GLU 74 H GLU 74 11.997 -1.246 -0.626 572 HA GLU 74 HA GLU 74 13.219 -3.959 -0.664 573 1HB GLU 74 1HB GLU 74 11.764 -3.786 -2.582 574 2HB GLU 74 2HB GLU 74 12.421 -2.236 -3.023 575 1HG GLU 74 1HG GLU 74 13.248 -3.936 -4.522 576 2HG GLU 74 2HG GLU 74 14.582 -3.261 -3.605 577 H GLY 75 H GLY 75 13.734 -0.758 -2.168 578 1HA GLY 75 1HA GLY 75 16.614 -0.830 -1.630 579 2HA GLY 75 2HA GLY 75 15.684 0.186 -2.748 580 H GLU 76 H GLU 76 15.989 2.306 -2.064 581 HA GLU 76 HA GLU 76 16.557 2.973 0.684 582 1HB GLU 76 1HB GLU 76 16.843 5.187 -0.091 583 2HB GLU 76 2HB GLU 76 17.476 4.133 -1.353 584 1HG GLU 76 1HG GLU 76 15.270 4.410 -2.582 585 2HG GLU 76 2HG GLU 76 14.805 5.616 -1.378 586 H GLY 77 H GLY 77 15.373 4.987 1.619 587 1HA GLY 77 1HA GLY 77 12.502 4.324 1.806 588 2HA GLY 77 2HA GLY 77 13.439 5.224 3.004 589 H PHE 78 H PHE 78 10.966 6.154 2.100 590 HA PHE 78 HA PHE 78 11.775 8.721 0.824 591 1HB PHE 78 1HB PHE 78 9.415 6.949 0.065 592 2HB PHE 78 2HB PHE 78 9.270 8.657 -0.052 593 HD1 PHE 78 HD1 PHE 78 10.073 9.890 -1.895 594 HD2 PHE 78 HD2 PHE 78 11.516 5.867 -1.253 595 HE1 PHE 78 HE1 PHE 78 11.161 9.916 -4.118 596 HE2 PHE 78 HE2 PHE 78 12.618 5.921 -3.465 597 HZ PHE 78 HZ PHE 78 12.440 7.943 -4.898 598 HA PRO 79 HA PRO 79 9.813 10.549 4.347 599 1HB PRO 79 1HB PRO 79 8.647 12.848 3.342 600 2HB PRO 79 2HB PRO 79 10.416 12.629 3.488 601 1HG PRO 79 1HG PRO 79 8.644 12.148 1.097 602 2HG PRO 79 2HG PRO 79 10.164 13.110 1.157 603 1HD PRO 79 1HD PRO 79 10.170 10.575 0.271 604 2HD PRO 79 2HD PRO 79 11.481 11.134 1.346 605 H SER 80 H SER 80 7.727 9.549 1.702 606 HA SER 80 HA SER 80 5.334 9.646 3.482 607 1HB SER 80 1HB SER 80 5.312 10.282 0.553 608 2HB SER 80 2HB SER 80 4.039 10.549 1.663 609 HG SER 80 HG SER 80 5.358 12.498 1.114 610 H ILE 81 H ILE 81 3.881 7.991 3.045 611 HA ILE 81 HA ILE 81 4.997 5.526 2.020 612 HB ILE 81 HB ILE 81 2.157 6.268 2.848 613 1HG1 ILE 81 1HG1 ILE 81 4.140 4.439 4.260 614 2HG1 ILE 81 2HG1 ILE 81 4.142 6.165 4.567 615 1HG2 ILE 81 1HG2 ILE 81 1.702 3.829 2.849 616 2HG2 ILE 81 2HG2 ILE 81 2.077 4.403 1.228 617 3HG2 ILE 81 3HG2 ILE 81 3.308 3.528 2.155 618 1HD1 ILE 81 1HD1 ILE 81 1.964 6.165 5.497 619 2HD1 ILE 81 2HD1 ILE 81 1.681 4.467 5.037 620 3HD1 ILE 81 3HD1 ILE 81 2.901 4.891 6.259 621 HA PRO 82 HA PRO 82 2.076 6.441 -1.576 622 1HB PRO 82 1HB PRO 82 1.515 9.091 -2.313 623 2HB PRO 82 2HB PRO 82 0.471 8.042 -1.312 624 1HG PRO 82 1HG PRO 82 2.400 10.123 -0.378 625 2HG PRO 82 2HG PRO 82 0.788 9.756 0.277 626 1HD PRO 82 1HD PRO 82 2.892 8.895 1.514 627 2HD PRO 82 2HD PRO 82 1.469 7.873 1.411 628 H LEU 83 H LEU 83 4.689 8.720 -0.959 629 HA LEU 83 HA LEU 83 5.601 8.947 -3.658 630 1HB LEU 83 1HB LEU 83 6.775 9.504 -0.914 631 2HB LEU 83 2HB LEU 83 7.785 9.510 -2.332 632 HG LEU 83 HG LEU 83 6.258 11.222 -3.406 633 1HD1 LEU 83 1HD1 LEU 83 5.164 11.908 -0.718 634 2HD1 LEU 83 2HD1 LEU 83 4.278 10.844 -1.821 635 3HD1 LEU 83 3HD1 LEU 83 4.716 12.478 -2.307 636 1HD2 LEU 83 1HD2 LEU 83 7.479 12.105 -0.753 637 2HD2 LEU 83 2HD2 LEU 83 7.271 13.058 -2.252 638 3HD2 LEU 83 3HD2 LEU 83 8.432 11.743 -2.209 639 H LEU 84 H LEU 84 6.276 6.636 -1.022 640 HA LEU 84 HA LEU 84 8.345 5.248 -2.434 641 1HB LEU 84 1HB LEU 84 7.586 5.344 0.115 642 2HB LEU 84 2HB LEU 84 6.484 4.037 -0.363 643 HG LEU 84 HG LEU 84 8.397 3.176 0.795 644 1HD1 LEU 84 1HD1 LEU 84 9.070 1.404 -0.645 645 2HD1 LEU 84 2HD1 LEU 84 8.729 2.362 -2.089 646 3HD1 LEU 84 3HD1 LEU 84 7.382 1.803 -1.051 647 1HD2 LEU 84 1HD2 LEU 84 10.085 4.847 0.180 648 2HD2 LEU 84 2HD2 LEU 84 10.143 4.178 -1.475 649 3HD2 LEU 84 3HD2 LEU 84 10.661 3.207 -0.086 650 H ILE 85 H ILE 85 4.837 4.820 -2.115 651 HA ILE 85 HA ILE 85 4.601 2.336 -3.414 652 HB ILE 85 HB ILE 85 2.707 4.719 -3.398 653 1HG1 ILE 85 1HG1 ILE 85 3.061 3.812 -1.173 654 2HG1 ILE 85 2HG1 ILE 85 1.445 3.477 -1.714 655 1HG2 ILE 85 1HG2 ILE 85 2.096 3.328 -5.329 656 2HG2 ILE 85 2HG2 ILE 85 2.062 1.906 -4.330 657 3HG2 ILE 85 3HG2 ILE 85 0.878 3.188 -4.048 658 1HD1 ILE 85 1HD1 ILE 85 2.116 1.111 -2.160 659 2HD1 ILE 85 2HD1 ILE 85 3.772 1.506 -1.634 660 3HD1 ILE 85 3HD1 ILE 85 2.432 1.594 -0.486 661 H ASP 86 H ASP 86 4.911 5.604 -4.921 662 HA ASP 86 HA ASP 86 4.220 4.554 -7.519 663 1HB ASP 86 1HB ASP 86 4.168 6.926 -6.920 664 2HB ASP 86 2HB ASP 86 5.932 7.000 -6.918 665 H HIS 87 H HIS 87 7.322 5.054 -5.889 666 HA HIS 87 HA HIS 87 8.865 4.174 -8.147 667 1HB HIS 87 1HB HIS 87 9.622 4.666 -5.245 668 2HB HIS 87 2HB HIS 87 10.773 4.223 -6.495 669 HD1 HIS 87 HD1 HIS 87 11.999 6.290 -7.488 670 HD2 HIS 87 HD2 HIS 87 8.041 7.068 -6.251 671 HE1 HIS 87 HE1 HIS 87 11.548 8.726 -7.972 672 H LEU 88 H LEU 88 6.911 2.371 -6.028 673 HA LEU 88 HA LEU 88 8.445 -0.121 -6.477 674 1HB LEU 88 1HB LEU 88 6.036 0.727 -4.836 675 2HB LEU 88 2HB LEU 88 6.295 -0.955 -5.256 676 HG LEU 88 HG LEU 88 7.378 0.763 -3.239 677 1HD1 LEU 88 1HD1 LEU 88 6.424 -1.503 -2.932 678 2HD1 LEU 88 2HD1 LEU 88 8.089 -1.522 -2.306 679 3HD1 LEU 88 3HD1 LEU 88 7.728 -2.206 -3.915 680 1HD2 LEU 88 1HD2 LEU 88 9.480 1.068 -4.450 681 2HD2 LEU 88 2HD2 LEU 88 9.659 -0.692 -4.638 682 3HD2 LEU 88 3HD2 LEU 88 9.724 0.057 -3.038 683 H LEU 89 H LEU 89 5.430 1.630 -7.233 684 HA LEU 89 HA LEU 89 4.168 -0.548 -8.590 685 1HB LEU 89 1HB LEU 89 3.330 1.673 -7.437 686 2HB LEU 89 2HB LEU 89 3.383 2.328 -9.063 687 HG LEU 89 HG LEU 89 2.034 -0.334 -8.503 688 1HD1 LEU 89 1HD1 LEU 89 1.216 0.963 -6.705 689 2HD1 LEU 89 2HD1 LEU 89 -0.056 0.871 -7.935 690 3HD1 LEU 89 3HD1 LEU 89 0.891 2.366 -7.768 691 1HD2 LEU 89 1HD2 LEU 89 0.436 0.410 -10.129 692 2HD2 LEU 89 2HD2 LEU 89 2.089 0.334 -10.784 693 3HD2 LEU 89 3HD2 LEU 89 1.348 1.920 -10.385 694 H SER 90 H SER 90 6.016 2.253 -9.805 695 HA SER 90 HA SER 90 5.472 1.376 -12.549 696 1HB SER 90 1HB SER 90 6.894 3.680 -11.280 697 2HB SER 90 2HB SER 90 7.509 3.168 -12.860 698 HG SER 90 HG SER 90 5.513 4.693 -12.532 699 H THR 91 H THR 91 7.780 0.504 -10.128 700 HA THR 91 HA THR 91 9.721 -0.380 -12.168 701 HB THR 91 HB THR 91 11.335 -0.399 -10.566 702 HG1 THR 91 HG1 THR 91 10.771 -1.408 -8.929 703 1HG2 THR 91 1HG2 THR 91 10.716 1.899 -11.040 704 2HG2 THR 91 2HG2 THR 91 11.281 1.706 -9.365 705 3HG2 THR 91 3HG2 THR 91 9.558 1.907 -9.693 706 H GLN 92 H GLN 92 7.283 -1.555 -9.963 707 HA GLN 92 HA GLN 92 6.394 -3.634 -9.642 708 1HB GLN 92 1HB GLN 92 8.184 -4.768 -11.833 709 2HB GLN 92 2HB GLN 92 6.720 -5.459 -11.197 710 1HG GLN 92 1HG GLN 92 6.757 -2.824 -12.754 711 2HG GLN 92 2HG GLN 92 6.558 -4.406 -13.479 712 1HE2 GLN 92 2HE2 GLN 92 5.065 -2.238 -10.993 713 2HE2 GLN 92 1HE2 GLN 92 3.665 -3.192 -10.734 714 H GLN 93 H GLN 93 8.604 -2.580 -8.220 715 HA GLN 93 HA GLN 93 10.583 -4.596 -7.692 716 1HB GLN 93 1HB GLN 93 9.793 -2.027 -6.435 717 2HB GLN 93 2HB GLN 93 10.520 -3.185 -5.319 718 1HG GLN 93 1HG GLN 93 12.526 -3.395 -6.651 719 2HG GLN 93 2HG GLN 93 11.831 -2.405 -7.929 720 1HE2 GLN 93 2HE2 GLN 93 11.031 -0.206 -7.261 721 2HE2 GLN 93 1HE2 GLN 93 12.098 0.738 -6.306 722 HA PRO 94 HA PRO 94 8.199 -7.280 -5.131 723 1HB PRO 94 1HB PRO 94 10.167 -8.739 -3.860 724 2HB PRO 94 2HB PRO 94 9.698 -8.959 -5.566 725 1HG PRO 94 1HG PRO 94 12.003 -7.348 -4.384 726 2HG PRO 94 2HG PRO 94 11.984 -8.390 -5.844 727 1HD PRO 94 1HD PRO 94 11.769 -5.587 -5.954 728 2HD PRO 94 2HD PRO 94 11.084 -6.722 -7.163 729 H LEU 95 H LEU 95 7.222 -7.016 -3.308 730 HA LEU 95 HA LEU 95 7.912 -5.039 -1.378 731 1HB LEU 95 1HB LEU 95 5.941 -7.314 -1.002 732 2HB LEU 95 2HB LEU 95 5.992 -5.822 -0.075 733 HG LEU 95 HG LEU 95 5.168 -6.176 -2.947 734 1HD1 LEU 95 1HD1 LEU 95 3.721 -4.936 -0.598 735 2HD1 LEU 95 2HD1 LEU 95 3.570 -6.626 -1.049 736 3HD1 LEU 95 3HD1 LEU 95 3.052 -5.370 -2.186 737 1HD2 LEU 95 1HD2 LEU 95 4.895 -3.858 -3.269 738 2HD2 LEU 95 2HD2 LEU 95 6.567 -4.126 -2.848 739 3HD2 LEU 95 3HD2 LEU 95 5.440 -3.478 -1.623 740 H THR 96 H THR 96 8.578 -8.588 -1.340 741 HA THR 96 HA THR 96 10.449 -8.030 0.742 742 HB THR 96 HB THR 96 8.644 -8.358 2.251 743 HG1 THR 96 HG1 THR 96 10.408 -9.456 2.811 744 1HG2 THR 96 1HG2 THR 96 7.212 -10.403 2.252 745 2HG2 THR 96 2HG2 THR 96 7.786 -10.764 0.613 746 3HG2 THR 96 3HG2 THR 96 6.865 -9.276 0.934 747 H LYS 97 H LYS 97 12.022 -9.650 0.752 748 HA LYS 97 HA LYS 97 12.398 -11.283 -1.575 749 1HB LYS 97 1HB LYS 97 13.775 -11.538 1.108 750 2HB LYS 97 2HB LYS 97 14.359 -12.099 -0.455 751 1HG LYS 97 1HG LYS 97 14.001 -9.200 0.392 752 2HG LYS 97 2HG LYS 97 15.518 -10.075 0.283 753 1HD LYS 97 1HD LYS 97 13.722 -9.416 -2.100 754 2HD LYS 97 2HD LYS 97 15.144 -8.511 -1.585 755 1HE LYS 97 1HE LYS 97 16.465 -10.716 -1.805 756 2HE LYS 97 2HE LYS 97 15.054 -11.358 -2.664 757 1HZ LYS 97 1HZ LYS 97 16.630 -10.456 -4.229 758 2HZ LYS 97 2HZ LYS 97 16.679 -9.005 -3.450 759 3HZ LYS 97 3HZ LYS 97 15.338 -9.462 -4.235 760 H LYS 98 H LYS 98 10.130 -11.743 0.812 761 HA LYS 98 HA LYS 98 10.366 -14.703 0.850 762 1HB LYS 98 1HB LYS 98 9.225 -12.641 2.782 763 2HB LYS 98 2HB LYS 98 8.970 -14.376 3.009 764 1HG LYS 98 1HG LYS 98 11.714 -13.053 2.904 765 2HG LYS 98 2HG LYS 98 10.836 -13.492 4.382 766 1HD LYS 98 1HD LYS 98 10.949 -15.815 3.931 767 2HD LYS 98 2HD LYS 98 11.438 -15.578 2.271 768 1HE LYS 98 1HE LYS 98 13.368 -16.264 3.652 769 2HE LYS 98 2HE LYS 98 13.608 -14.675 2.922 770 1HZ LYS 98 1HZ LYS 98 13.156 -13.633 4.979 771 2HZ LYS 98 2HZ LYS 98 14.285 -14.778 5.258 772 3HZ LYS 98 3HZ LYS 98 12.723 -15.042 5.706 773 H SER 99 H SER 99 8.444 -12.380 -0.618 774 HA SER 99 HA SER 99 6.644 -14.591 -1.169 775 1HB SER 99 1HB SER 99 5.597 -11.914 -0.140 776 2HB SER 99 2HB SER 99 4.579 -13.088 -0.976 777 HG SER 99 HG SER 99 5.845 -13.356 1.556 778 H GLY 100 H GLY 100 8.412 -11.918 -2.345 779 1HA GLY 100 1HA GLY 100 8.547 -10.742 -4.228 780 2HA GLY 100 2HA GLY 100 8.099 -12.225 -5.013 781 H VAL 101 H VAL 101 5.862 -10.480 -2.950 782 HA VAL 101 HA VAL 101 3.818 -9.972 -4.845 783 HB VAL 101 HB VAL 101 4.511 -8.364 -2.376 784 1HG1 VAL 101 1HG1 VAL 101 1.825 -9.009 -3.633 785 2HG1 VAL 101 2HG1 VAL 101 2.117 -8.048 -2.167 786 3HG1 VAL 101 3HG1 VAL 101 2.679 -7.445 -3.717 787 1HG2 VAL 101 1HG2 VAL 101 3.266 -11.102 -2.493 788 2HG2 VAL 101 2HG2 VAL 101 4.594 -10.471 -1.467 789 3HG2 VAL 101 3HG2 VAL 101 2.939 -9.960 -1.176 790 H VAL 102 H VAL 102 3.565 -8.169 -6.334 791 HA VAL 102 HA VAL 102 5.377 -5.886 -5.887 792 HB VAL 102 HB VAL 102 6.213 -5.751 -7.939 793 1HG1 VAL 102 1HG1 VAL 102 7.065 -7.902 -7.101 794 2HG1 VAL 102 2HG1 VAL 102 5.791 -8.742 -8.017 795 3HG1 VAL 102 3HG1 VAL 102 7.035 -7.819 -8.862 796 1HG2 VAL 102 1HG2 VAL 102 5.285 -6.752 -10.044 797 2HG2 VAL 102 2HG2 VAL 102 3.833 -7.091 -9.084 798 3HG2 VAL 102 3HG2 VAL 102 4.374 -5.431 -9.307 799 H LEU 103 H LEU 103 4.451 -3.875 -6.606 800 HA LEU 103 HA LEU 103 1.573 -3.780 -6.185 801 1HB LEU 103 1HB LEU 103 3.490 -1.573 -6.962 802 2HB LEU 103 2HB LEU 103 1.867 -1.377 -6.319 803 HG LEU 103 HG LEU 103 4.380 -2.281 -4.883 804 1HD1 LEU 103 1HD1 LEU 103 2.369 -0.138 -4.212 805 2HD1 LEU 103 2HD1 LEU 103 3.805 0.181 -5.209 806 3HD1 LEU 103 3HD1 LEU 103 3.995 -0.344 -3.519 807 1HD2 LEU 103 1HD2 LEU 103 2.958 -2.496 -2.849 808 2HD2 LEU 103 2HD2 LEU 103 2.575 -3.736 -4.060 809 3HD2 LEU 103 3HD2 LEU 103 1.506 -2.315 -3.874 810 H HIS 104 H HIS 104 0.012 -3.492 -7.696 811 HA HIS 104 HA HIS 104 0.796 -2.772 -10.493 812 1HB HIS 104 1HB HIS 104 -0.742 -5.122 -9.440 813 2HB HIS 104 2HB HIS 104 -1.120 -4.508 -11.014 814 HD1 HIS 104 HD1 HIS 104 0.902 -4.819 -12.907 815 HD2 HIS 104 HD2 HIS 104 1.291 -6.734 -9.180 816 HE1 HIS 104 HE1 HIS 104 2.599 -6.693 -13.227 817 H ARG 105 H ARG 105 -2.055 -3.477 -8.292 818 HA ARG 105 HA ARG 105 -3.419 -1.233 -9.652 819 1HB ARG 105 1HB ARG 105 -4.083 -3.575 -10.355 820 2HB ARG 105 2HB ARG 105 -4.589 -3.847 -8.681 821 1HG ARG 105 1HG ARG 105 -6.553 -3.303 -9.906 822 2HG ARG 105 2HG ARG 105 -6.169 -1.927 -8.881 823 1HD ARG 105 1HD ARG 105 -4.922 -1.043 -11.028 824 2HD ARG 105 2HD ARG 105 -5.932 -2.209 -11.878 825 HE ARG 105 HE ARG 105 -7.781 -0.957 -10.392 826 1HH1 ARG 105 2HH1 ARG 105 -5.145 0.350 -12.408 827 2HH1 ARG 105 1HH1 ARG 105 -5.806 1.959 -12.476 828 1HH2 ARG 105 2HH2 ARG 105 -8.832 1.132 -10.837 829 2HH2 ARG 105 1HH2 ARG 105 -8.014 2.325 -11.780 830 H ALA 106 H ALA 106 -4.767 0.007 -8.438 831 HA ALA 106 HA ALA 106 -4.438 -0.203 -5.462 832 1HB ALA 106 1HB ALA 106 -3.194 1.690 -6.262 833 2HB ALA 106 2HB ALA 106 -4.525 2.223 -7.293 834 3HB ALA 106 3HB ALA 106 -4.724 2.286 -5.541 835 H VAL 107 H VAL 107 -6.307 -0.739 -4.507 836 HA VAL 107 HA VAL 107 -8.889 -0.579 -5.789 837 HB VAL 107 HB VAL 107 -7.903 -1.104 -2.938 838 1HG1 VAL 107 1HG1 VAL 107 -10.705 -1.754 -3.822 839 2HG1 VAL 107 2HG1 VAL 107 -9.964 -1.659 -2.202 840 3HG1 VAL 107 3HG1 VAL 107 -10.318 -0.192 -3.071 841 1HG2 VAL 107 1HG2 VAL 107 -8.661 -3.444 -3.542 842 2HG2 VAL 107 2HG2 VAL 107 -8.848 -2.900 -5.209 843 3HG2 VAL 107 3HG2 VAL 107 -7.245 -2.859 -4.438 844 HA PRO 108 HA PRO 108 -9.165 3.744 -4.467 845 1HB PRO 108 1HB PRO 108 -11.480 4.412 -5.745 846 2HB PRO 108 2HB PRO 108 -9.914 4.240 -6.606 847 1HG PRO 108 1HG PRO 108 -12.186 2.224 -6.361 848 2HG PRO 108 2HG PRO 108 -11.249 2.657 -7.829 849 1HD PRO 108 1HD PRO 108 -10.765 0.458 -6.228 850 2HD PRO 108 2HD PRO 108 -9.514 1.258 -7.222 851 H SER 109 H SER 109 -10.197 4.645 -2.779 852 HA SER 109 HA SER 109 -12.739 3.570 -1.744 853 1HB SER 109 1HB SER 109 -10.594 2.827 -0.523 854 2HB SER 109 2HB SER 109 -10.447 4.490 0.029 855 HG SER 109 HG SER 109 -12.796 2.909 0.396 856 H GLY 110 H GLY 110 -11.172 6.190 -3.064 857 1HA GLY 110 1HA GLY 110 -11.832 8.392 -3.271 858 2HA GLY 110 2HA GLY 110 -13.021 8.184 -1.971 859 HA PRO 111 HA PRO 111 -9.092 10.201 -0.382 860 1HB PRO 111 1HB PRO 111 -9.579 12.831 -0.493 861 2HB PRO 111 2HB PRO 111 -9.298 11.912 -2.004 862 1HG PRO 111 1HG PRO 111 -11.989 12.645 -0.754 863 2HG PRO 111 2HG PRO 111 -11.447 12.937 -2.431 864 1HD PRO 111 1HD PRO 111 -12.910 10.725 -1.712 865 2HD PRO 111 2HD PRO 111 -11.699 10.698 -3.030 866 H SER 112 H SER 112 -12.386 10.221 0.689 867 HA SER 112 HA SER 112 -11.952 11.950 3.006 868 1HB SER 112 1HB SER 112 -14.003 12.087 1.608 869 2HB SER 112 2HB SER 112 -14.387 10.404 1.965 870 HG SER 112 HG SER 112 -14.067 12.285 4.060 871 H SER 113 H SER 113 -10.419 10.887 4.120 872 HA SER 113 HA SER 113 -10.520 8.129 4.855 873 1HB SER 113 1HB SER 113 -8.586 8.914 6.260 874 2HB SER 113 2HB SER 113 -8.419 9.240 4.538 875 HG SER 113 HG SER 113 -9.417 11.117 6.401 876 H GLY 114 H GLY 114 -12.362 7.566 6.114 877 1HA GLY 114 1HA GLY 114 -13.346 7.141 8.102 878 2HA GLY 114 2HA GLY 114 -12.067 8.070 8.891 Start of MODEL 2 1 1H GLY 1 H GLY 1 -16.860 10.644 -5.564 2 1HA GLY 1 1HA GLY 1 -18.090 11.846 -7.986 3 2HA GLY 1 2HA GLY 1 -17.809 12.710 -6.465 4 H SER 2 H SER 2 -15.622 13.185 -5.831 5 HA SER 2 HA SER 2 -13.746 13.794 -7.902 6 1HB SER 2 1HB SER 2 -13.377 13.392 -4.915 7 2HB SER 2 2HB SER 2 -12.208 14.125 -6.017 8 HG SER 2 HG SER 2 -13.240 15.883 -5.358 9 H SER 3 H SER 3 -12.919 12.172 -9.115 10 HA SER 3 HA SER 3 -12.445 9.575 -7.796 11 1HB SER 3 1HB SER 3 -14.189 9.915 -9.606 12 2HB SER 3 2HB SER 3 -12.880 10.196 -10.754 13 HG SER 3 HG SER 3 -13.843 8.098 -10.649 14 H GLY 4 H GLY 4 -11.008 11.593 -10.487 15 1HA GLY 4 1HA GLY 4 -8.812 12.096 -10.908 16 2HA GLY 4 2HA GLY 4 -8.393 11.524 -9.289 17 H SER 5 H SER 5 -7.453 9.502 -9.090 18 HA SER 5 HA SER 5 -6.245 7.743 -9.686 19 1HB SER 5 1HB SER 5 -8.561 7.204 -11.563 20 2HB SER 5 2HB SER 5 -7.294 6.032 -11.162 21 HG SER 5 HG SER 5 -9.459 6.286 -9.859 22 H SER 6 H SER 6 -5.682 10.258 -10.972 23 HA SER 6 HA SER 6 -4.691 9.468 -13.687 24 1HB SER 6 1HB SER 6 -5.132 12.194 -12.416 25 2HB SER 6 2HB SER 6 -4.455 11.914 -14.026 26 HG SER 6 HG SER 6 -6.525 12.298 -14.322 27 H GLY 7 H GLY 7 -3.507 9.764 -10.488 28 1HA GLY 7 1HA GLY 7 -1.007 9.360 -10.349 29 2HA GLY 7 2HA GLY 7 -0.856 10.831 -11.335 30 H GLU 8 H GLU 8 -1.074 9.627 -8.203 31 HA GLU 8 HA GLU 8 -2.001 12.209 -7.037 32 1HB GLU 8 1HB GLU 8 -2.817 9.330 -6.469 33 2HB GLU 8 2HB GLU 8 -3.011 10.611 -5.273 34 1HG GLU 8 1HG GLU 8 -5.055 10.647 -6.255 35 2HG GLU 8 2HG GLU 8 -4.192 11.978 -7.023 36 H VAL 9 H VAL 9 0.619 10.440 -7.340 37 HA VAL 9 HA VAL 9 1.568 9.568 -4.974 38 HB VAL 9 HB VAL 9 3.397 11.094 -6.872 39 1HG1 VAL 9 1HG1 VAL 9 4.386 10.144 -4.860 40 2HG1 VAL 9 2HG1 VAL 9 3.760 8.542 -5.328 41 3HG1 VAL 9 3HG1 VAL 9 4.984 9.355 -6.330 42 1HG2 VAL 9 1HG2 VAL 9 2.196 8.345 -7.369 43 2HG2 VAL 9 2HG2 VAL 9 1.909 9.792 -8.359 44 3HG2 VAL 9 3HG2 VAL 9 3.520 9.087 -8.292 45 H GLN 10 H GLN 10 2.092 12.858 -6.243 46 HA GLN 10 HA GLN 10 3.510 13.700 -3.901 47 1HB GLN 10 1HB GLN 10 2.361 15.408 -6.130 48 2HB GLN 10 2HB GLN 10 3.761 15.783 -5.107 49 1HG GLN 10 1HG GLN 10 3.541 13.664 -7.282 50 2HG GLN 10 2HG GLN 10 4.529 15.126 -7.315 51 1HE2 GLN 10 2HE2 GLN 10 5.402 12.301 -7.670 52 2HE2 GLN 10 1HE2 GLN 10 6.579 11.976 -6.436 53 H LYS 11 H LYS 11 0.216 13.354 -4.320 54 HA LYS 11 HA LYS 11 -0.743 15.660 -2.750 55 1HB LYS 11 1HB LYS 11 -1.957 12.912 -3.366 56 2HB LYS 11 2HB LYS 11 -2.750 14.141 -2.420 57 1HG LYS 11 1HG LYS 11 -2.487 15.703 -4.446 58 2HG LYS 11 2HG LYS 11 -2.061 14.246 -5.372 59 1HD LYS 11 1HD LYS 11 -4.180 13.170 -4.672 60 2HD LYS 11 2HD LYS 11 -4.614 14.592 -3.717 61 1HE LYS 11 1HE LYS 11 -4.189 14.616 -6.744 62 2HE LYS 11 2HE LYS 11 -5.758 14.431 -5.945 63 1HZ LYS 11 1HZ LYS 11 -4.022 16.819 -5.839 64 2HZ LYS 11 2HZ LYS 11 -5.338 16.611 -4.867 65 3HZ LYS 11 3HZ LYS 11 -5.499 16.666 -6.503 66 HA PRO 12 HA PRO 12 0.286 14.005 1.248 67 1HB PRO 12 1HB PRO 12 -2.012 14.403 2.749 68 2HB PRO 12 2HB PRO 12 -0.861 15.689 2.351 69 1HG PRO 12 1HG PRO 12 -3.419 15.003 0.969 70 2HG PRO 12 2HG PRO 12 -2.825 16.628 1.436 71 1HD PRO 12 1HD PRO 12 -2.620 15.678 -1.091 72 2HD PRO 12 2HD PRO 12 -1.320 16.659 -0.423 73 H LEU 13 H LEU 13 -0.246 12.215 2.656 74 HA LEU 13 HA LEU 13 -1.337 9.924 1.441 75 1HB LEU 13 1HB LEU 13 0.219 10.026 3.313 76 2HB LEU 13 2HB LEU 13 -1.075 10.503 4.408 77 HG LEU 13 HG LEU 13 -1.370 7.952 2.754 78 1HD1 LEU 13 1HD1 LEU 13 0.100 8.110 5.417 79 2HD1 LEU 13 2HD1 LEU 13 0.898 8.017 3.850 80 3HD1 LEU 13 3HD1 LEU 13 -0.152 6.690 4.370 81 1HD2 LEU 13 1HD2 LEU 13 -2.680 7.182 4.549 82 2HD2 LEU 13 2HD2 LEU 13 -3.261 8.811 4.308 83 3HD2 LEU 13 3HD2 LEU 13 -2.162 8.469 5.656 84 H HIS 14 H HIS 14 -2.886 12.477 3.409 85 HA HIS 14 HA HIS 14 -5.254 10.931 3.820 86 1HB HIS 14 1HB HIS 14 -6.165 12.838 4.926 87 2HB HIS 14 2HB HIS 14 -4.497 12.622 5.406 88 HD1 HIS 14 HD1 HIS 14 -6.576 14.942 3.108 89 HD2 HIS 14 HD2 HIS 14 -3.046 14.804 5.377 90 HE1 HIS 14 HE1 HIS 14 -5.510 17.263 2.923 91 H GLU 15 H GLU 15 -4.311 11.967 0.868 92 HA GLU 15 HA GLU 15 -7.109 12.229 -0.092 93 1HB GLU 15 1HB GLU 15 -4.768 13.937 -1.067 94 2HB GLU 15 2HB GLU 15 -6.440 13.954 -1.692 95 1HG GLU 15 1HG GLU 15 -7.215 14.708 0.577 96 2HG GLU 15 2HG GLU 15 -5.536 14.798 1.068 97 H GLN 16 H GLN 16 -4.878 10.117 0.099 98 HA GLN 16 HA GLN 16 -4.375 9.427 -2.705 99 1HB GLN 16 1HB GLN 16 -4.041 7.895 -0.084 100 2HB GLN 16 2HB GLN 16 -3.528 7.283 -1.656 101 1HG GLN 16 1HG GLN 16 -2.527 9.804 -0.298 102 2HG GLN 16 2HG GLN 16 -1.654 8.292 -0.399 103 1HE2 GLN 16 2HE2 GLN 16 -1.033 11.147 -1.431 104 2HE2 GLN 16 1HE2 GLN 16 -0.743 10.891 -3.127 105 H LEU 17 H LEU 17 -5.054 7.064 -3.282 106 HA LEU 17 HA LEU 17 -8.007 6.969 -3.010 107 1HB LEU 17 1HB LEU 17 -7.691 5.480 -5.085 108 2HB LEU 17 2HB LEU 17 -7.710 7.192 -5.268 109 HG LEU 17 HG LEU 17 -5.118 5.582 -5.179 110 1HD1 LEU 17 1HD1 LEU 17 -6.663 6.534 -7.637 111 2HD1 LEU 17 2HD1 LEU 17 -6.641 4.855 -7.065 112 3HD1 LEU 17 3HD1 LEU 17 -5.135 5.606 -7.593 113 1HD2 LEU 17 1HD2 LEU 17 -4.265 7.527 -6.550 114 2HD2 LEU 17 2HD2 LEU 17 -4.630 7.971 -4.898 115 3HD2 LEU 17 3HD2 LEU 17 -5.778 8.386 -6.188 116 H TRP 18 H TRP 18 -5.063 4.916 -3.112 117 HA TRP 18 HA TRP 18 -6.441 2.526 -2.229 118 1HB TRP 18 1HB TRP 18 -3.968 1.844 -1.778 119 2HB TRP 18 2HB TRP 18 -4.531 2.064 -3.401 120 HD1 TRP 18 HD1 TRP 18 -3.179 3.806 -4.877 121 HE1 TRP 18 HE1 TRP 18 -1.343 5.563 -4.406 122 HE3 TRP 18 HE3 TRP 18 -3.095 3.606 0.233 123 HZ2 TRP 18 HZ2 TRP 18 0.064 6.549 -2.196 124 HZ3 TRP 18 HZ3 TRP 18 -1.519 5.012 1.534 125 HH2 TRP 18 HH2 TRP 18 0.113 6.443 0.356 126 H TYR 19 H TYR 19 -5.814 5.342 -0.515 127 HA TYR 19 HA TYR 19 -5.192 3.962 1.997 128 1HB TYR 19 1HB TYR 19 -4.195 6.122 1.592 129 2HB TYR 19 2HB TYR 19 -5.784 6.864 1.363 130 HD1 TYR 19 HD1 TYR 19 -4.446 4.399 3.934 131 HD2 TYR 19 HD2 TYR 19 -6.125 8.319 3.197 132 HE1 TYR 19 HE1 TYR 19 -4.750 4.680 6.308 133 HE2 TYR 19 HE2 TYR 19 -6.370 8.663 5.611 134 HH TYR 19 HH TYR 19 -6.354 7.625 7.686 135 H HIS 20 H HIS 20 -6.891 2.712 2.794 136 HA HIS 20 HA HIS 20 -9.660 3.804 2.528 137 1HB HIS 20 1HB HIS 20 -8.708 0.942 2.808 138 2HB HIS 20 2HB HIS 20 -10.352 1.443 3.157 139 HD1 HIS 20 HD1 HIS 20 -11.966 1.254 1.189 140 HD2 HIS 20 HD2 HIS 20 -7.907 1.585 0.120 141 HE1 HIS 20 HE1 HIS 20 -11.817 0.716 -1.296 142 H GLY 21 H GLY 21 -7.282 4.039 5.010 143 1HA GLY 21 1HA GLY 21 -7.546 4.756 7.018 144 2HA GLY 21 2HA GLY 21 -9.289 4.495 6.931 145 H ALA 22 H ALA 22 -8.976 3.660 8.890 146 HA ALA 22 HA ALA 22 -7.481 1.191 9.485 147 1HB ALA 22 1HB ALA 22 -8.415 1.282 11.684 148 2HB ALA 22 2HB ALA 22 -7.764 2.851 11.203 149 3HB ALA 22 3HB ALA 22 -9.529 2.597 11.180 150 H ILE 23 H ILE 23 -8.400 0.071 7.735 151 HA ILE 23 HA ILE 23 -11.013 -1.218 8.237 152 HB ILE 23 HB ILE 23 -11.335 -1.231 6.101 153 1HG1 ILE 23 1HG1 ILE 23 -8.824 -2.892 5.682 154 2HG1 ILE 23 2HG1 ILE 23 -10.421 -3.500 6.123 155 1HG2 ILE 23 1HG2 ILE 23 -8.522 -0.287 5.497 156 2HG2 ILE 23 2HG2 ILE 23 -9.950 -0.231 4.459 157 3HG2 ILE 23 3HG2 ILE 23 -9.926 0.739 5.910 158 1HD1 ILE 23 1HD1 ILE 23 -10.102 -3.893 3.830 159 2HD1 ILE 23 2HD1 ILE 23 -11.353 -2.652 4.045 160 3HD1 ILE 23 3HD1 ILE 23 -9.706 -2.198 3.508 161 HA PRO 24 HA PRO 24 -9.030 -4.779 10.047 162 1HB PRO 24 1HB PRO 24 -11.024 -6.650 9.761 163 2HB PRO 24 2HB PRO 24 -11.162 -5.249 10.891 164 1HG PRO 24 1HG PRO 24 -12.211 -5.541 8.073 165 2HG PRO 24 2HG PRO 24 -13.122 -4.994 9.510 166 1HD PRO 24 1HD PRO 24 -12.047 -3.232 7.777 167 2HD PRO 24 2HD PRO 24 -12.028 -2.908 9.537 168 H ARG 25 H ARG 25 -8.282 -6.995 9.527 169 HA ARG 25 HA ARG 25 -7.366 -7.254 6.816 170 1HB ARG 25 1HB ARG 25 -6.377 -9.334 7.522 171 2HB ARG 25 2HB ARG 25 -6.275 -8.237 8.901 172 1HG ARG 25 1HG ARG 25 -8.471 -9.333 9.747 173 2HG ARG 25 2HG ARG 25 -8.197 -10.558 8.483 174 1HD ARG 25 1HD ARG 25 -6.042 -11.109 9.438 175 2HD ARG 25 2HD ARG 25 -6.224 -9.835 10.666 176 HE ARG 25 HE ARG 25 -8.445 -11.635 10.750 177 1HH1 ARG 25 2HH1 ARG 25 -4.936 -11.642 11.413 178 2HH1 ARG 25 1HH1 ARG 25 -5.067 -12.958 12.562 179 1HH2 ARG 25 2HH2 ARG 25 -8.564 -13.056 12.678 180 2HH2 ARG 25 1HH2 ARG 25 -7.098 -13.694 13.311 181 H ALA 26 H ALA 26 -10.325 -8.290 8.293 182 HA ALA 26 HA ALA 26 -10.896 -10.493 6.568 183 1HB ALA 26 1HB ALA 26 -11.959 -10.049 8.785 184 2HB ALA 26 2HB ALA 26 -12.794 -8.644 8.093 185 3HB ALA 26 3HB ALA 26 -13.153 -10.276 7.498 186 H GLU 27 H GLU 27 -11.679 -7.013 6.479 187 HA GLU 27 HA GLU 27 -13.445 -7.176 4.264 188 1HB GLU 27 1HB GLU 27 -12.014 -5.000 5.787 189 2HB GLU 27 2HB GLU 27 -13.014 -4.573 4.389 190 1HG GLU 27 1HG GLU 27 -14.019 -6.236 6.743 191 2HG GLU 27 2HG GLU 27 -14.073 -4.477 6.708 192 H VAL 28 H VAL 28 -9.999 -6.755 4.417 193 HA VAL 28 HA VAL 28 -9.305 -5.620 2.010 194 HB VAL 28 HB VAL 28 -8.056 -8.055 3.359 195 1HG1 VAL 28 1HG1 VAL 28 -6.021 -7.563 2.152 196 2HG1 VAL 28 2HG1 VAL 28 -7.298 -7.831 0.997 197 3HG1 VAL 28 3HG1 VAL 28 -6.789 -6.162 1.335 198 1HG2 VAL 28 1HG2 VAL 28 -8.124 -6.041 4.812 199 2HG2 VAL 28 2HG2 VAL 28 -6.475 -6.436 4.325 200 3HG2 VAL 28 3HG2 VAL 28 -7.343 -5.092 3.534 201 H ALA 29 H ALA 29 -9.838 -9.217 2.333 202 HA ALA 29 HA ALA 29 -9.392 -9.584 -0.422 203 1HB ALA 29 1HB ALA 29 -11.163 -11.606 0.784 204 2HB ALA 29 2HB ALA 29 -9.599 -11.755 -0.068 205 3HB ALA 29 3HB ALA 29 -9.662 -11.301 1.664 206 H GLU 30 H GLU 30 -12.252 -8.461 1.172 207 HA GLU 30 HA GLU 30 -14.182 -9.127 -0.908 208 1HB GLU 30 1HB GLU 30 -15.108 -8.915 1.198 209 2HB GLU 30 2HB GLU 30 -14.092 -7.619 1.693 210 1HG GLU 30 1HG GLU 30 -16.215 -6.727 1.579 211 2HG GLU 30 2HG GLU 30 -15.351 -6.039 0.219 212 H LEU 31 H LEU 31 -11.829 -6.559 -0.311 213 HA LEU 31 HA LEU 31 -13.055 -4.723 -2.278 214 1HB LEU 31 1HB LEU 31 -10.412 -4.502 -0.780 215 2HB LEU 31 2HB LEU 31 -11.225 -3.243 -1.658 216 HG LEU 31 HG LEU 31 -12.439 -4.525 0.846 217 1HD1 LEU 31 1HD1 LEU 31 -11.876 -2.374 1.909 218 2HD1 LEU 31 2HD1 LEU 31 -10.923 -1.928 0.477 219 3HD1 LEU 31 3HD1 LEU 31 -10.487 -3.363 1.456 220 1HD2 LEU 31 1HD2 LEU 31 -14.043 -2.750 0.781 221 2HD2 LEU 31 2HD2 LEU 31 -14.037 -3.363 -0.859 222 3HD2 LEU 31 3HD2 LEU 31 -13.148 -1.866 -0.492 223 H LEU 32 H LEU 32 -10.207 -6.775 -1.866 224 HA LEU 32 HA LEU 32 -9.004 -5.919 -4.405 225 1HB LEU 32 1HB LEU 32 -8.184 -8.332 -2.765 226 2HB LEU 32 2HB LEU 32 -7.214 -7.347 -3.849 227 HG LEU 32 HG LEU 32 -8.082 -6.687 -1.025 228 1HD1 LEU 32 1HD1 LEU 32 -5.417 -7.002 -2.265 229 2HD1 LEU 32 2HD1 LEU 32 -6.203 -8.185 -1.180 230 3HD1 LEU 32 3HD1 LEU 32 -5.679 -6.594 -0.583 231 1HD2 LEU 32 1HD2 LEU 32 -8.219 -4.585 -2.058 232 2HD2 LEU 32 2HD2 LEU 32 -6.689 -4.828 -2.949 233 3HD2 LEU 32 3HD2 LEU 32 -6.680 -4.628 -1.195 234 H VAL 33 H VAL 33 -9.227 -7.095 -6.412 235 HA VAL 33 HA VAL 33 -10.783 -9.641 -6.263 236 HB VAL 33 HB VAL 33 -11.143 -7.352 -8.277 237 1HG1 VAL 33 1HG1 VAL 33 -13.244 -8.574 -8.921 238 2HG1 VAL 33 2HG1 VAL 33 -11.757 -9.407 -9.352 239 3HG1 VAL 33 3HG1 VAL 33 -12.684 -9.949 -7.940 240 1HG2 VAL 33 1HG2 VAL 33 -13.403 -7.034 -7.206 241 2HG2 VAL 33 2HG2 VAL 33 -12.884 -8.119 -5.901 242 3HG2 VAL 33 3HG2 VAL 33 -12.058 -6.575 -6.174 243 H HIS 34 H HIS 34 -8.196 -7.842 -7.815 244 HA HIS 34 HA HIS 34 -7.619 -10.230 -9.497 245 1HB HIS 34 1HB HIS 34 -7.041 -7.289 -9.893 246 2HB HIS 34 2HB HIS 34 -6.352 -8.582 -10.895 247 HD1 HIS 34 HD1 HIS 34 -8.096 -9.869 -12.573 248 HD2 HIS 34 HD2 HIS 34 -9.694 -6.801 -10.145 249 HE1 HIS 34 HE1 HIS 34 -10.453 -9.451 -13.385 250 H SER 35 H SER 35 -5.499 -11.008 -9.442 251 HA SER 35 HA SER 35 -3.865 -10.568 -7.173 252 1HB SER 35 1HB SER 35 -2.115 -11.591 -8.877 253 2HB SER 35 2HB SER 35 -3.385 -12.563 -8.180 254 HG SER 35 HG SER 35 -3.355 -12.936 -10.353 255 H GLY 36 H GLY 36 -2.848 -8.779 -6.660 256 1HA GLY 36 1HA GLY 36 -1.116 -7.157 -7.305 257 2HA GLY 36 2HA GLY 36 -2.055 -6.810 -8.785 258 H ASP 37 H ASP 37 -4.610 -6.993 -7.058 259 HA ASP 37 HA ASP 37 -4.912 -4.185 -6.598 260 1HB ASP 37 1HB ASP 37 -6.460 -6.643 -5.773 261 2HB ASP 37 2HB ASP 37 -6.887 -5.078 -5.076 262 H PHE 38 H PHE 38 -4.147 -2.984 -4.930 263 HA PHE 38 HA PHE 38 -3.736 -4.293 -2.328 264 1HB PHE 38 1HB PHE 38 -1.727 -3.024 -1.864 265 2HB PHE 38 2HB PHE 38 -1.486 -3.944 -3.343 266 HD1 PHE 38 HD1 PHE 38 -0.972 -2.979 -5.402 267 HD2 PHE 38 HD2 PHE 38 -2.085 -0.489 -2.055 268 HE1 PHE 38 HE1 PHE 38 -0.562 -0.979 -6.758 269 HE2 PHE 38 HE2 PHE 38 -1.566 1.531 -3.399 270 HZ PHE 38 HZ PHE 38 -0.901 1.288 -5.786 271 H LEU 39 H LEU 39 -3.846 -2.848 -0.548 272 HA LEU 39 HA LEU 39 -4.751 -0.113 -0.971 273 1HB LEU 39 1HB LEU 39 -6.679 -0.209 0.341 274 2HB LEU 39 2HB LEU 39 -6.812 -1.459 -0.852 275 HG LEU 39 HG LEU 39 -5.851 -2.981 1.247 276 1HD1 LEU 39 1HD1 LEU 39 -7.091 -2.252 3.241 277 2HD1 LEU 39 2HD1 LEU 39 -7.159 -0.620 2.544 278 3HD1 LEU 39 3HD1 LEU 39 -5.587 -1.387 2.880 279 1HD2 LEU 39 1HD2 LEU 39 -8.184 -3.553 1.682 280 2HD2 LEU 39 2HD2 LEU 39 -8.023 -3.240 -0.051 281 3HD2 LEU 39 3HD2 LEU 39 -8.701 -1.988 0.988 282 H VAL 40 H VAL 40 -4.524 1.095 1.068 283 HA VAL 40 HA VAL 40 -2.612 -0.111 2.997 284 HB VAL 40 HB VAL 40 -2.953 2.811 2.232 285 1HG1 VAL 40 1HG1 VAL 40 -1.039 3.159 3.802 286 2HG1 VAL 40 2HG1 VAL 40 -2.533 2.675 4.614 287 3HG1 VAL 40 3HG1 VAL 40 -1.227 1.481 4.361 288 1HG2 VAL 40 1HG2 VAL 40 -1.582 1.491 0.591 289 2HG2 VAL 40 2HG2 VAL 40 -0.586 2.634 1.497 290 3HG2 VAL 40 3HG2 VAL 40 -0.568 0.923 1.937 291 H ARG 41 H ARG 41 -3.437 -0.431 4.872 292 HA ARG 41 HA ARG 41 -5.881 0.955 5.727 293 1HB ARG 41 1HB ARG 41 -6.695 -1.108 6.750 294 2HB ARG 41 2HB ARG 41 -6.432 -1.338 5.014 295 1HG ARG 41 1HG ARG 41 -4.152 -2.319 5.677 296 2HG ARG 41 2HG ARG 41 -4.774 -2.403 7.327 297 1HD ARG 41 1HD ARG 41 -6.841 -3.610 6.227 298 2HD ARG 41 2HD ARG 41 -5.820 -3.744 4.790 299 HE ARG 41 HE ARG 41 -4.604 -5.379 5.777 300 1HH1 ARG 41 2HH1 ARG 41 -6.624 -3.773 8.253 301 2HH1 ARG 41 1HH1 ARG 41 -6.007 -4.672 9.572 302 1HH2 ARG 41 2HH2 ARG 41 -4.013 -6.838 7.547 303 2HH2 ARG 41 1HH2 ARG 41 -4.662 -6.576 9.140 304 H GLU 42 H GLU 42 -6.032 0.340 8.354 305 HA GLU 42 HA GLU 42 -3.274 0.727 9.413 306 1HB GLU 42 1HB GLU 42 -5.080 2.604 9.589 307 2HB GLU 42 2HB GLU 42 -5.697 1.620 10.922 308 1HG GLU 42 1HG GLU 42 -3.461 1.756 12.033 309 2HG GLU 42 2HG GLU 42 -2.814 2.593 10.630 310 H SER 43 H SER 43 -2.865 -0.075 11.561 311 HA SER 43 HA SER 43 -3.618 -2.824 11.912 312 1HB SER 43 1HB SER 43 -1.376 -1.748 12.405 313 2HB SER 43 2HB SER 43 -2.128 -0.985 13.822 314 HG SER 43 HG SER 43 -0.966 -3.191 13.887 315 H GLN 44 H GLN 44 -3.992 -3.134 14.563 316 HA GLN 44 HA GLN 44 -6.844 -2.379 14.786 317 1HB GLN 44 1HB GLN 44 -5.072 -4.331 16.311 318 2HB GLN 44 2HB GLN 44 -6.803 -4.103 16.621 319 1HG GLN 44 1HG GLN 44 -5.622 -4.993 13.941 320 2HG GLN 44 2HG GLN 44 -6.330 -6.055 15.135 321 1HE2 GLN 44 2HE2 GLN 44 -8.597 -6.085 15.440 322 2HE2 GLN 44 1HE2 GLN 44 -9.731 -5.273 14.378 323 H GLY 45 H GLY 45 -6.483 -0.103 15.199 324 1HA GLY 45 1HA GLY 45 -6.673 1.615 16.654 325 2HA GLY 45 2HA GLY 45 -6.392 0.528 18.018 326 H LYS 46 H LYS 46 -3.806 -0.280 16.376 327 HA LYS 46 HA LYS 46 -1.988 1.617 17.651 328 1HB LYS 46 1HB LYS 46 -1.778 -0.956 16.121 329 2HB LYS 46 2HB LYS 46 -0.452 0.164 15.855 330 1HG LYS 46 1HG LYS 46 -0.033 -1.439 17.665 331 2HG LYS 46 2HG LYS 46 0.122 0.252 18.145 332 1HD LYS 46 1HD LYS 46 -0.925 -1.090 19.917 333 2HD LYS 46 2HD LYS 46 -2.007 0.170 19.335 334 1HE LYS 46 1HE LYS 46 -3.083 -1.537 17.829 335 2HE LYS 46 2HE LYS 46 -2.087 -2.794 18.567 336 1HZ LYS 46 1HZ LYS 46 -4.416 -2.403 19.451 337 2HZ LYS 46 2HZ LYS 46 -3.869 -1.047 20.151 338 3HZ LYS 46 3HZ LYS 46 -3.234 -2.528 20.575 339 H GLN 47 H GLN 47 -0.540 2.957 16.615 340 HA GLN 47 HA GLN 47 -1.620 4.298 14.228 341 1HB GLN 47 1HB GLN 47 0.515 4.997 16.289 342 2HB GLN 47 2HB GLN 47 0.075 6.039 14.925 343 1HG GLN 47 1HG GLN 47 -2.188 6.301 15.717 344 2HG GLN 47 2HG GLN 47 -1.989 5.051 16.944 345 1HE2 GLN 47 2HE2 GLN 47 -1.509 8.414 16.239 346 2HE2 GLN 47 1HE2 GLN 47 -0.837 8.873 17.798 347 H GLU 48 H GLU 48 -0.894 1.880 13.274 348 HA GLU 48 HA GLU 48 1.597 2.370 11.854 349 1HB GLU 48 1HB GLU 48 2.274 1.019 13.691 350 2HB GLU 48 2HB GLU 48 0.834 -0.015 13.578 351 1HG GLU 48 1HG GLU 48 1.587 -0.989 11.530 352 2HG GLU 48 2HG GLU 48 2.923 0.177 11.386 353 H TYR 49 H TYR 49 1.276 1.998 9.837 354 HA TYR 49 HA TYR 49 -1.384 1.117 8.940 355 1HB TYR 49 1HB TYR 49 0.945 2.414 7.506 356 2HB TYR 49 2HB TYR 49 -0.521 1.870 6.690 357 HD1 TYR 49 HD1 TYR 49 -2.799 2.668 7.950 358 HD2 TYR 49 HD2 TYR 49 0.990 4.734 7.971 359 HE1 TYR 49 HE1 TYR 49 -3.959 4.790 8.454 360 HE2 TYR 49 HE2 TYR 49 -0.173 6.875 8.371 361 HH TYR 49 HH TYR 49 -2.298 7.940 8.794 362 H VAL 50 H VAL 50 -1.624 -0.323 7.118 363 HA VAL 50 HA VAL 50 0.349 -2.518 7.049 364 HB VAL 50 HB VAL 50 -2.644 -2.926 7.255 365 1HG1 VAL 50 1HG1 VAL 50 -1.445 -4.806 6.295 366 2HG1 VAL 50 2HG1 VAL 50 -0.255 -4.784 7.600 367 3HG1 VAL 50 3HG1 VAL 50 -1.943 -5.243 7.931 368 1HG2 VAL 50 1HG2 VAL 50 -2.119 -3.683 9.661 369 2HG2 VAL 50 2HG2 VAL 50 -0.673 -2.640 9.466 370 3HG2 VAL 50 3HG2 VAL 50 -2.279 -1.957 9.295 371 H LEU 51 H LEU 51 0.700 -3.048 5.126 372 HA LEU 51 HA LEU 51 -0.863 -2.054 2.787 373 1HB LEU 51 1HB LEU 51 1.769 -2.248 2.859 374 2HB LEU 51 2HB LEU 51 1.500 -3.970 2.775 375 HG LEU 51 HG LEU 51 0.028 -3.423 0.658 376 1HD1 LEU 51 1HD1 LEU 51 0.832 -1.334 -0.511 377 2HD1 LEU 51 2HD1 LEU 51 1.647 -0.850 0.996 378 3HD1 LEU 51 3HD1 LEU 51 -0.118 -1.011 0.943 379 1HD2 LEU 51 1HD2 LEU 51 2.068 -3.440 -0.759 380 2HD2 LEU 51 2HD2 LEU 51 2.114 -4.631 0.547 381 3HD2 LEU 51 3HD2 LEU 51 3.046 -3.131 0.698 382 H SER 52 H SER 52 -2.326 -3.516 1.724 383 HA SER 52 HA SER 52 -1.943 -6.368 2.300 384 1HB SER 52 1HB SER 52 -4.601 -4.989 2.835 385 2HB SER 52 2HB SER 52 -4.275 -6.742 2.860 386 HG SER 52 HG SER 52 -2.442 -5.455 4.306 387 H VAL 53 H VAL 53 -2.143 -7.526 0.540 388 HA VAL 53 HA VAL 53 -3.242 -6.334 -1.900 389 HB VAL 53 HB VAL 53 -1.049 -5.508 -1.868 390 1HG1 VAL 53 1HG1 VAL 53 -0.033 -6.975 -0.161 391 2HG1 VAL 53 2HG1 VAL 53 0.103 -8.256 -1.392 392 3HG1 VAL 53 3HG1 VAL 53 0.967 -6.701 -1.566 393 1HG2 VAL 53 1HG2 VAL 53 -0.181 -7.562 -3.732 394 2HG2 VAL 53 2HG2 VAL 53 -1.902 -7.317 -3.939 395 3HG2 VAL 53 3HG2 VAL 53 -0.878 -5.945 -4.079 396 H LEU 54 H LEU 54 -3.992 -7.864 -3.322 397 HA LEU 54 HA LEU 54 -4.312 -10.580 -2.292 398 1HB LEU 54 1HB LEU 54 -6.143 -9.151 -3.243 399 2HB LEU 54 2HB LEU 54 -5.391 -9.262 -4.826 400 HG LEU 54 HG LEU 54 -5.834 -11.727 -4.743 401 1HD1 LEU 54 1HD1 LEU 54 -5.690 -12.214 -2.444 402 2HD1 LEU 54 2HD1 LEU 54 -7.309 -12.638 -2.998 403 3HD1 LEU 54 3HD1 LEU 54 -7.074 -11.143 -2.069 404 1HD2 LEU 54 1HD2 LEU 54 -7.414 -10.133 -5.736 405 2HD2 LEU 54 2HD2 LEU 54 -8.318 -10.149 -4.201 406 3HD2 LEU 54 3HD2 LEU 54 -8.154 -11.634 -5.158 407 H TRP 55 H TRP 55 -2.758 -12.041 -2.751 408 HA TRP 55 HA TRP 55 -1.290 -11.711 -5.309 409 1HB TRP 55 1HB TRP 55 -0.110 -10.946 -3.122 410 2HB TRP 55 2HB TRP 55 0.076 -12.657 -2.776 411 HD1 TRP 55 HD1 TRP 55 2.224 -13.630 -3.784 412 HE1 TRP 55 HE1 TRP 55 3.939 -12.922 -5.646 413 HE3 TRP 55 HE3 TRP 55 -0.334 -9.672 -5.689 414 HZ2 TRP 55 HZ2 TRP 55 4.221 -10.647 -7.517 415 HZ3 TRP 55 HZ3 TRP 55 0.656 -8.291 -7.517 416 HH2 TRP 55 HH2 TRP 55 2.878 -8.830 -8.444 417 H ASP 56 H ASP 56 -2.142 -13.248 -6.489 418 HA ASP 56 HA ASP 56 -2.814 -15.292 -7.221 419 1HB ASP 56 1HB ASP 56 -0.463 -15.679 -7.007 420 2HB ASP 56 2HB ASP 56 -0.610 -16.092 -5.307 421 H GLY 57 H GLY 57 -4.596 -14.207 -5.572 422 1HA GLY 57 1HA GLY 57 -6.615 -14.845 -4.741 423 2HA GLY 57 2HA GLY 57 -6.044 -16.506 -4.562 424 H LEU 58 H LEU 58 -3.727 -14.695 -3.048 425 HA LEU 58 HA LEU 58 -5.039 -15.134 -0.408 426 1HB LEU 58 1HB LEU 58 -3.322 -16.702 -1.038 427 2HB LEU 58 2HB LEU 58 -2.146 -15.401 -1.210 428 HG LEU 58 HG LEU 58 -1.942 -16.810 0.813 429 1HD1 LEU 58 1HD1 LEU 58 -2.425 -13.908 1.513 430 2HD1 LEU 58 2HD1 LEU 58 -1.015 -14.526 0.633 431 3HD1 LEU 58 3HD1 LEU 58 -1.333 -15.058 2.297 432 1HD2 LEU 58 1HD2 LEU 58 -4.408 -15.401 1.887 433 2HD2 LEU 58 2HD2 LEU 58 -3.372 -16.561 2.732 434 3HD2 LEU 58 3HD2 LEU 58 -4.349 -17.093 1.354 435 HA PRO 59 HA PRO 59 -4.341 -10.591 -0.227 436 1HB PRO 59 1HB PRO 59 -5.921 -10.091 1.926 437 2HB PRO 59 2HB PRO 59 -6.568 -10.371 0.280 438 1HG PRO 59 1HG PRO 59 -6.253 -12.425 2.507 439 2HG PRO 59 2HG PRO 59 -7.703 -12.064 1.489 440 1HD PRO 59 1HD PRO 59 -5.989 -14.076 1.028 441 2HD PRO 59 2HD PRO 59 -6.779 -13.205 -0.317 442 H ARG 60 H ARG 60 -2.180 -10.814 0.243 443 HA ARG 60 HA ARG 60 -0.991 -11.697 2.701 444 1HB ARG 60 1HB ARG 60 -0.060 -9.705 0.588 445 2HB ARG 60 2HB ARG 60 0.974 -10.406 1.827 446 1HG ARG 60 1HG ARG 60 -0.445 -12.148 -0.236 447 2HG ARG 60 2HG ARG 60 1.108 -11.384 -0.552 448 1HD ARG 60 1HD ARG 60 2.101 -12.472 1.400 449 2HD ARG 60 2HD ARG 60 0.557 -13.264 1.774 450 HE ARG 60 HE ARG 60 1.048 -14.105 -0.791 451 1HH1 ARG 60 2HH1 ARG 60 2.854 -14.299 2.283 452 2HH1 ARG 60 1HH1 ARG 60 3.763 -15.686 1.796 453 1HH2 ARG 60 2HH2 ARG 60 2.165 -15.919 -1.382 454 2HH2 ARG 60 1HH2 ARG 60 3.388 -16.630 -0.339 455 H HIS 61 H HIS 61 0.230 -10.158 4.236 456 HA HIS 61 HA HIS 61 -1.108 -7.557 4.605 457 1HB HIS 61 1HB HIS 61 -1.543 -8.119 7.017 458 2HB HIS 61 2HB HIS 61 -2.548 -8.975 5.878 459 HD1 HIS 61 HD1 HIS 61 0.229 -9.733 8.446 460 HD2 HIS 61 HD2 HIS 61 -2.327 -11.598 5.684 461 HE1 HIS 61 HE1 HIS 61 0.414 -12.214 8.889 462 H PHE 62 H PHE 62 1.033 -6.858 3.889 463 HA PHE 62 HA PHE 62 3.292 -7.293 5.730 464 1HB PHE 62 1HB PHE 62 3.114 -5.493 3.253 465 2HB PHE 62 2HB PHE 62 4.550 -6.012 4.099 466 HD1 PHE 62 HD1 PHE 62 5.108 -8.534 4.147 467 HD2 PHE 62 HD2 PHE 62 2.126 -6.827 1.535 468 HE1 PHE 62 HE1 PHE 62 5.175 -10.551 2.729 469 HE2 PHE 62 HE2 PHE 62 2.214 -8.836 0.122 470 HZ PHE 62 HZ PHE 62 3.743 -10.765 0.749 471 H ILE 63 H ILE 63 3.766 -5.934 7.343 472 HA ILE 63 HA ILE 63 2.056 -3.622 7.889 473 HB ILE 63 HB ILE 63 4.559 -4.795 9.116 474 1HG1 ILE 63 1HG1 ILE 63 2.376 -5.906 9.522 475 2HG1 ILE 63 2HG1 ILE 63 3.152 -5.313 10.942 476 1HG2 ILE 63 1HG2 ILE 63 5.003 -2.550 9.521 477 2HG2 ILE 63 2HG2 ILE 63 3.298 -2.135 9.821 478 3HG2 ILE 63 3HG2 ILE 63 4.224 -3.106 10.987 479 1HD1 ILE 63 1HD1 ILE 63 1.511 -3.263 10.862 480 2HD1 ILE 63 2HD1 ILE 63 0.719 -4.149 9.546 481 3HD1 ILE 63 3HD1 ILE 63 0.775 -4.837 11.161 482 H ILE 64 H ILE 64 2.485 -1.456 7.495 483 HA ILE 64 HA ILE 64 4.240 -0.841 5.307 484 HB ILE 64 HB ILE 64 2.586 0.783 7.234 485 1HG1 ILE 64 1HG1 ILE 64 1.333 -0.516 5.581 486 2HG1 ILE 64 2HG1 ILE 64 1.110 1.216 5.432 487 1HG2 ILE 64 1HG2 ILE 64 4.371 1.804 5.028 488 2HG2 ILE 64 2HG2 ILE 64 2.994 2.712 5.684 489 3HG2 ILE 64 3HG2 ILE 64 4.338 2.282 6.740 490 1HD1 ILE 64 1HD1 ILE 64 2.886 -0.416 3.628 491 2HD1 ILE 64 2HD1 ILE 64 1.226 0.118 3.283 492 3HD1 ILE 64 3HD1 ILE 64 2.509 1.325 3.478 493 H GLN 65 H GLN 65 6.044 0.166 5.368 494 HA GLN 65 HA GLN 65 8.011 -0.624 7.205 495 1HB GLN 65 1HB GLN 65 8.246 1.603 5.137 496 2HB GLN 65 2HB GLN 65 9.527 0.558 5.667 497 1HG GLN 65 1HG GLN 65 8.959 -0.647 3.742 498 2HG GLN 65 2HG GLN 65 7.690 -1.304 4.721 499 1HE2 GLN 65 2HE2 GLN 65 8.493 1.063 2.163 500 2HE2 GLN 65 1HE2 GLN 65 6.861 1.239 1.604 501 H SER 66 H SER 66 9.624 0.960 8.238 502 HA SER 66 HA SER 66 9.112 3.644 8.659 503 1HB SER 66 1HB SER 66 7.159 2.669 10.104 504 2HB SER 66 2HB SER 66 8.439 1.964 11.071 505 HG SER 66 HG SER 66 7.864 4.683 10.523 506 H LEU 67 H LEU 67 11.070 4.383 9.419 507 HA LEU 67 HA LEU 67 12.920 2.508 10.807 508 1HB LEU 67 1HB LEU 67 14.806 3.709 9.594 509 2HB LEU 67 2HB LEU 67 13.987 2.389 8.819 510 HG LEU 67 HG LEU 67 13.300 5.292 8.193 511 1HD1 LEU 67 1HD1 LEU 67 15.303 3.378 6.902 512 2HD1 LEU 67 2HD1 LEU 67 15.665 4.908 7.728 513 3HD1 LEU 67 3HD1 LEU 67 14.776 4.915 6.195 514 1HD2 LEU 67 1HD2 LEU 67 12.524 2.622 7.057 515 2HD2 LEU 67 2HD2 LEU 67 12.693 4.001 5.936 516 3HD2 LEU 67 3HD2 LEU 67 11.552 4.067 7.271 517 H ASP 68 H ASP 68 12.838 5.987 9.831 518 HA ASP 68 HA ASP 68 12.964 6.701 12.684 519 1HB ASP 68 1HB ASP 68 15.269 6.755 11.011 520 2HB ASP 68 2HB ASP 68 14.719 8.412 11.061 521 H ASN 69 H ASN 69 13.018 8.117 9.361 522 HA ASN 69 HA ASN 69 10.721 9.794 10.091 523 1HB ASN 69 1HB ASN 69 13.010 10.933 10.259 524 2HB ASN 69 2HB ASN 69 13.153 10.714 8.514 525 1HD2 ASN 69 2HD2 ASN 69 11.131 12.200 11.069 526 2HD2 ASN 69 1HD2 ASN 69 10.507 13.491 10.041 527 H LEU 70 H LEU 70 11.270 7.265 8.335 528 HA LEU 70 HA LEU 70 10.204 8.256 5.760 529 1HB LEU 70 1HB LEU 70 12.602 6.412 5.838 530 2HB LEU 70 2HB LEU 70 11.991 7.273 4.486 531 HG LEU 70 HG LEU 70 13.168 8.867 6.779 532 1HD1 LEU 70 1HD1 LEU 70 14.782 7.573 4.577 533 2HD1 LEU 70 2HD1 LEU 70 14.785 7.142 6.317 534 3HD1 LEU 70 3HD1 LEU 70 15.353 8.723 5.824 535 1HD2 LEU 70 1HD2 LEU 70 13.721 10.444 5.012 536 2HD2 LEU 70 2HD2 LEU 70 11.993 10.077 4.984 537 3HD2 LEU 70 3HD2 LEU 70 13.076 9.343 3.774 538 H TYR 71 H TYR 71 10.327 6.008 4.277 539 HA TYR 71 HA TYR 71 9.334 3.651 5.815 540 1HB TYR 71 1HB TYR 71 8.030 4.883 3.294 541 2HB TYR 71 2HB TYR 71 7.479 3.457 4.142 542 HD1 TYR 71 HD1 TYR 71 7.634 7.114 4.139 543 HD2 TYR 71 HD2 TYR 71 6.294 3.653 6.234 544 HE1 TYR 71 HE1 TYR 71 6.211 8.564 5.589 545 HE2 TYR 71 HE2 TYR 71 4.870 4.997 7.694 546 HH TYR 71 HH TYR 71 4.085 7.088 8.166 547 H ARG 72 H ARG 72 10.654 1.866 4.845 548 HA ARG 72 HA ARG 72 11.580 2.139 2.030 549 1HB ARG 72 1HB ARG 72 13.788 1.484 2.650 550 2HB ARG 72 2HB ARG 72 13.371 2.981 3.459 551 1HG ARG 72 1HG ARG 72 14.350 1.980 5.228 552 2HG ARG 72 2HG ARG 72 12.755 1.273 5.447 553 1HD ARG 72 1HD ARG 72 13.633 -0.731 5.387 554 2HD ARG 72 2HD ARG 72 14.065 -0.508 3.686 555 HE ARG 72 HE ARG 72 16.071 0.788 5.105 556 1HH1 ARG 72 2HH1 ARG 72 14.885 -2.585 5.085 557 2HH1 ARG 72 1HH1 ARG 72 16.375 -3.180 5.788 558 1HH2 ARG 72 2HH2 ARG 72 17.923 -0.042 5.990 559 2HH2 ARG 72 1HH2 ARG 72 18.074 -1.757 6.328 560 H LEU 73 H LEU 73 11.343 0.121 0.943 561 HA LEU 73 HA LEU 73 10.599 -2.139 2.743 562 1HB LEU 73 1HB LEU 73 8.718 -1.110 1.439 563 2HB LEU 73 2HB LEU 73 9.409 -1.790 -0.021 564 HG LEU 73 HG LEU 73 9.120 -3.977 0.635 565 1HD1 LEU 73 1HD1 LEU 73 8.051 -4.717 2.733 566 2HD1 LEU 73 2HD1 LEU 73 8.087 -3.068 3.368 567 3HD1 LEU 73 3HD1 LEU 73 9.593 -3.968 3.086 568 1HD2 LEU 73 1HD2 LEU 73 7.197 -2.683 -0.211 569 2HD2 LEU 73 2HD2 LEU 73 6.676 -2.365 1.452 570 3HD2 LEU 73 3HD2 LEU 73 6.668 -4.027 0.827 571 H GLU 74 H GLU 74 11.521 -1.991 -0.756 572 HA GLU 74 HA GLU 74 13.311 -4.308 -0.330 573 1HB GLU 74 1HB GLU 74 11.950 -4.423 -2.252 574 2HB GLU 74 2HB GLU 74 12.273 -2.771 -2.729 575 1HG GLU 74 1HG GLU 74 13.354 -4.301 -4.233 576 2HG GLU 74 2HG GLU 74 14.551 -3.348 -3.373 577 H GLY 75 H GLY 75 13.418 -0.922 -1.568 578 1HA GLY 75 1HA GLY 75 16.369 -0.937 -1.367 579 2HA GLY 75 2HA GLY 75 15.332 0.001 -2.449 580 H GLU 76 H GLU 76 15.613 2.097 -1.938 581 HA GLU 76 HA GLU 76 16.325 2.989 0.733 582 1HB GLU 76 1HB GLU 76 16.541 5.183 -0.331 583 2HB GLU 76 2HB GLU 76 17.468 3.919 -1.131 584 1HG GLU 76 1HG GLU 76 15.764 3.817 -2.946 585 2HG GLU 76 2HG GLU 76 14.792 5.016 -2.089 586 H GLY 77 H GLY 77 15.200 5.285 1.288 587 1HA GLY 77 1HA GLY 77 12.372 4.536 1.687 588 2HA GLY 77 2HA GLY 77 13.416 5.161 2.982 589 H PHE 78 H PHE 78 10.808 6.171 2.056 590 HA PHE 78 HA PHE 78 11.604 8.847 1.013 591 1HB PHE 78 1HB PHE 78 9.252 7.060 0.282 592 2HB PHE 78 2HB PHE 78 9.115 8.792 0.129 593 HD1 PHE 78 HD1 PHE 78 11.340 5.946 -0.989 594 HD2 PHE 78 HD2 PHE 78 9.982 9.989 -1.690 595 HE1 PHE 78 HE1 PHE 78 12.479 5.936 -3.169 596 HE2 PHE 78 HE2 PHE 78 11.152 9.961 -3.901 597 HZ PHE 78 HZ PHE 78 12.399 7.917 -4.630 598 HA PRO 79 HA PRO 79 9.779 10.539 4.619 599 1HB PRO 79 1HB PRO 79 8.579 12.850 3.723 600 2HB PRO 79 2HB PRO 79 10.361 12.625 3.756 601 1HG PRO 79 1HG PRO 79 8.462 12.089 1.434 602 2HG PRO 79 2HG PRO 79 9.925 13.140 1.437 603 1HD PRO 79 1HD PRO 79 10.034 10.634 0.543 604 2HD PRO 79 2HD PRO 79 11.349 11.221 1.608 605 H SER 80 H SER 80 7.661 9.652 1.964 606 HA SER 80 HA SER 80 5.280 9.641 3.738 607 1HB SER 80 1HB SER 80 5.192 10.366 0.824 608 2HB SER 80 2HB SER 80 4.008 10.703 2.027 609 HG SER 80 HG SER 80 4.969 12.606 1.843 610 H ILE 81 H ILE 81 3.818 7.994 3.238 611 HA ILE 81 HA ILE 81 4.837 5.526 2.137 612 HB ILE 81 HB ILE 81 2.062 6.501 3.007 613 1HG1 ILE 81 1HG1 ILE 81 3.792 4.329 4.225 614 2HG1 ILE 81 2HG1 ILE 81 4.034 6.009 4.631 615 1HG2 ILE 81 1HG2 ILE 81 2.757 3.703 2.038 616 2HG2 ILE 81 2HG2 ILE 81 1.245 4.192 2.825 617 3HG2 ILE 81 3HG2 ILE 81 1.668 4.840 1.245 618 1HD1 ILE 81 1HD1 ILE 81 1.401 4.580 5.080 619 2HD1 ILE 81 2HD1 ILE 81 2.661 4.879 6.297 620 3HD1 ILE 81 3HD1 ILE 81 1.837 6.244 5.559 621 HA PRO 82 HA PRO 82 2.028 6.724 -1.497 622 1HB PRO 82 1HB PRO 82 1.611 9.400 -2.114 623 2HB PRO 82 2HB PRO 82 0.509 8.380 -1.168 624 1HG PRO 82 1HG PRO 82 2.544 10.307 -0.110 625 2HG PRO 82 2HG PRO 82 0.884 10.031 0.486 626 1HD PRO 82 1HD PRO 82 2.883 8.986 1.742 627 2HD PRO 82 2HD PRO 82 1.414 8.047 1.552 628 H LEU 83 H LEU 83 4.606 9.056 -0.693 629 HA LEU 83 HA LEU 83 5.699 9.210 -3.361 630 1HB LEU 83 1HB LEU 83 6.665 9.965 -0.530 631 2HB LEU 83 2HB LEU 83 7.694 10.120 -1.911 632 HG LEU 83 HG LEU 83 6.197 11.648 -3.022 633 1HD1 LEU 83 1HD1 LEU 83 4.476 11.864 -0.551 634 2HD1 LEU 83 2HD1 LEU 83 4.022 11.040 -2.064 635 3HD1 LEU 83 3HD1 LEU 83 4.361 12.749 -2.075 636 1HD2 LEU 83 1HD2 LEU 83 8.044 12.320 -1.497 637 2HD2 LEU 83 2HD2 LEU 83 6.875 12.499 -0.184 638 3HD2 LEU 83 3HD2 LEU 83 6.758 13.541 -1.631 639 H LEU 84 H LEU 84 5.797 6.557 -1.183 640 HA LEU 84 HA LEU 84 8.221 5.623 -2.615 641 1HB LEU 84 1HB LEU 84 7.621 5.332 0.036 642 2HB LEU 84 2HB LEU 84 6.819 3.888 -0.632 643 HG LEU 84 HG LEU 84 9.704 4.647 -0.419 644 1HD1 LEU 84 1HD1 LEU 84 8.309 1.993 -0.046 645 2HD1 LEU 84 2HD1 LEU 84 8.575 3.210 1.235 646 3HD1 LEU 84 3HD1 LEU 84 9.968 2.422 0.454 647 1HD2 LEU 84 1HD2 LEU 84 9.670 4.044 -2.806 648 2HD2 LEU 84 2HD2 LEU 84 8.805 2.539 -2.425 649 3HD2 LEU 84 3HD2 LEU 84 10.473 2.796 -1.874 650 H ILE 85 H ILE 85 4.760 5.034 -2.184 651 HA ILE 85 HA ILE 85 4.520 2.575 -3.406 652 HB ILE 85 HB ILE 85 2.659 4.973 -3.449 653 1HG1 ILE 85 1HG1 ILE 85 2.993 3.941 -1.252 654 2HG1 ILE 85 2HG1 ILE 85 1.342 3.766 -1.810 655 1HG2 ILE 85 1HG2 ILE 85 2.046 2.234 -4.592 656 2HG2 ILE 85 2HG2 ILE 85 0.800 3.418 -4.131 657 3HG2 ILE 85 3HG2 ILE 85 1.962 3.788 -5.411 658 1HD1 ILE 85 1HD1 ILE 85 3.479 1.588 -1.821 659 2HD1 ILE 85 2HD1 ILE 85 2.137 1.749 -0.677 660 3HD1 ILE 85 3HD1 ILE 85 1.794 1.389 -2.375 661 H ASP 86 H ASP 86 4.837 5.686 -5.188 662 HA ASP 86 HA ASP 86 4.224 4.567 -7.769 663 1HB ASP 86 1HB ASP 86 4.306 7.050 -7.024 664 2HB ASP 86 2HB ASP 86 6.032 6.972 -7.214 665 H HIS 87 H HIS 87 7.212 5.115 -5.960 666 HA HIS 87 HA HIS 87 8.938 4.109 -8.013 667 1HB HIS 87 1HB HIS 87 9.255 5.591 -5.699 668 2HB HIS 87 2HB HIS 87 10.054 4.090 -5.276 669 HD1 HIS 87 HD1 HIS 87 12.016 3.375 -7.392 670 HD2 HIS 87 HD2 HIS 87 10.591 7.332 -6.966 671 HE1 HIS 87 HE1 HIS 87 13.632 4.858 -8.628 672 H LEU 88 H LEU 88 6.782 2.418 -6.114 673 HA LEU 88 HA LEU 88 8.291 -0.147 -6.489 674 1HB LEU 88 1HB LEU 88 5.779 0.526 -4.946 675 2HB LEU 88 2HB LEU 88 6.317 -1.100 -5.356 676 HG LEU 88 HG LEU 88 7.262 0.857 -3.319 677 1HD1 LEU 88 1HD1 LEU 88 7.267 -2.168 -3.665 678 2HD1 LEU 88 2HD1 LEU 88 5.945 -1.231 -2.921 679 3HD1 LEU 88 3HD1 LEU 88 7.523 -1.327 -2.105 680 1HD2 LEU 88 1HD2 LEU 88 9.292 -1.072 -4.548 681 2HD2 LEU 88 2HD2 LEU 88 9.479 -0.230 -2.995 682 3HD2 LEU 88 3HD2 LEU 88 9.420 0.698 -4.481 683 H LEU 89 H LEU 89 5.279 1.676 -7.182 684 HA LEU 89 HA LEU 89 4.032 -0.480 -8.555 685 1HB LEU 89 1HB LEU 89 3.115 1.693 -7.366 686 2HB LEU 89 2HB LEU 89 3.159 2.384 -8.983 687 HG LEU 89 HG LEU 89 1.940 -0.335 -8.464 688 1HD1 LEU 89 1HD1 LEU 89 0.652 2.351 -7.859 689 2HD1 LEU 89 2HD1 LEU 89 1.045 1.037 -6.719 690 3HD1 LEU 89 3HD1 LEU 89 -0.229 0.815 -7.940 691 1HD2 LEU 89 1HD2 LEU 89 0.255 0.348 -10.107 692 2HD2 LEU 89 2HD2 LEU 89 1.902 0.206 -10.751 693 3HD2 LEU 89 3HD2 LEU 89 1.201 1.831 -10.414 694 H SER 90 H SER 90 6.037 2.227 -9.666 695 HA SER 90 HA SER 90 5.280 1.762 -12.418 696 1HB SER 90 1HB SER 90 6.118 3.985 -11.559 697 2HB SER 90 2HB SER 90 7.717 3.255 -11.308 698 HG SER 90 HG SER 90 6.286 3.710 -13.705 699 H THR 91 H THR 91 7.821 0.733 -10.145 700 HA THR 91 HA THR 91 9.558 -0.158 -12.252 701 HB THR 91 HB THR 91 11.220 -0.139 -10.644 702 HG1 THR 91 HG1 THR 91 11.038 -0.634 -8.679 703 1HG2 THR 91 1HG2 THR 91 9.258 1.881 -9.408 704 2HG2 THR 91 2HG2 THR 91 10.238 2.176 -10.851 705 3HG2 THR 91 3HG2 THR 91 11.009 1.892 -9.284 706 H GLN 92 H GLN 92 7.491 -1.514 -9.763 707 HA GLN 92 HA GLN 92 6.462 -3.432 -9.542 708 1HB GLN 92 1HB GLN 92 7.887 -4.658 -11.934 709 2HB GLN 92 2HB GLN 92 6.410 -5.207 -11.189 710 1HG GLN 92 1HG GLN 92 6.596 -2.521 -12.618 711 2HG GLN 92 2HG GLN 92 6.178 -4.034 -13.406 712 1HE2 GLN 92 2HE2 GLN 92 5.146 -2.184 -10.414 713 2HE2 GLN 92 1HE2 GLN 92 3.575 -2.857 -10.387 714 H GLN 93 H GLN 93 8.684 -2.687 -8.196 715 HA GLN 93 HA GLN 93 10.649 -4.729 -7.865 716 1HB GLN 93 1HB GLN 93 9.827 -2.233 -6.451 717 2HB GLN 93 2HB GLN 93 10.590 -3.442 -5.409 718 1HG GLN 93 1HG GLN 93 12.519 -3.600 -6.878 719 2HG GLN 93 2HG GLN 93 11.796 -2.467 -8.010 720 1HE2 GLN 93 2HE2 GLN 93 11.063 -0.243 -6.911 721 2HE2 GLN 93 1HE2 GLN 93 12.431 0.444 -6.097 722 HA PRO 94 HA PRO 94 8.448 -7.555 -5.253 723 1HB PRO 94 1HB PRO 94 10.519 -8.734 -3.847 724 2HB PRO 94 2HB PRO 94 10.084 -9.141 -5.530 725 1HG PRO 94 1HG PRO 94 12.261 -7.308 -4.513 726 2HG PRO 94 2HG PRO 94 12.315 -8.455 -5.888 727 1HD PRO 94 1HD PRO 94 11.909 -5.692 -6.112 728 2HD PRO 94 2HD PRO 94 11.330 -6.870 -7.319 729 H LEU 95 H LEU 95 7.707 -7.655 -3.109 730 HA LEU 95 HA LEU 95 8.258 -5.306 -1.423 731 1HB LEU 95 1HB LEU 95 6.328 -7.603 -0.980 732 2HB LEU 95 2HB LEU 95 6.397 -6.137 -0.039 733 HG LEU 95 HG LEU 95 5.457 -6.472 -2.870 734 1HD1 LEU 95 1HD1 LEU 95 4.270 -5.146 -0.406 735 2HD1 LEU 95 2HD1 LEU 95 3.909 -6.798 -0.930 736 3HD1 LEU 95 3HD1 LEU 95 3.436 -5.424 -1.948 737 1HD2 LEU 95 1HD2 LEU 95 5.998 -3.773 -1.623 738 2HD2 LEU 95 2HD2 LEU 95 5.142 -4.081 -3.137 739 3HD2 LEU 95 3HD2 LEU 95 6.855 -4.475 -3.013 740 H THR 96 H THR 96 8.893 -8.881 -1.220 741 HA THR 96 HA THR 96 10.924 -8.394 0.731 742 HB THR 96 HB THR 96 9.144 -8.288 2.315 743 HG1 THR 96 HG1 THR 96 9.591 -9.915 3.601 744 1HG2 THR 96 1HG2 THR 96 7.250 -9.274 1.065 745 2HG2 THR 96 2HG2 THR 96 7.447 -10.009 2.654 746 3HG2 THR 96 3HG2 THR 96 7.994 -10.889 1.216 747 H LYS 97 H LYS 97 12.292 -10.173 0.864 748 HA LYS 97 HA LYS 97 12.400 -12.146 -1.153 749 1HB LYS 97 1HB LYS 97 14.001 -11.350 1.091 750 2HB LYS 97 2HB LYS 97 13.618 -13.043 1.370 751 1HG LYS 97 1HG LYS 97 15.611 -13.046 0.079 752 2HG LYS 97 2HG LYS 97 14.318 -13.488 -1.040 753 1HD LYS 97 1HD LYS 97 14.273 -10.791 -1.425 754 2HD LYS 97 2HD LYS 97 15.897 -10.933 -0.781 755 1HE LYS 97 1HE LYS 97 16.297 -11.136 -3.030 756 2HE LYS 97 2HE LYS 97 16.162 -12.850 -2.581 757 1HZ LYS 97 1HZ LYS 97 14.003 -11.188 -3.736 758 2HZ LYS 97 2HZ LYS 97 13.937 -12.843 -3.457 759 3HZ LYS 97 3HZ LYS 97 14.927 -12.220 -4.586 760 H LYS 98 H LYS 98 10.640 -12.095 1.895 761 HA LYS 98 HA LYS 98 10.177 -14.944 1.996 762 1HB LYS 98 1HB LYS 98 8.968 -12.497 3.348 763 2HB LYS 98 2HB LYS 98 8.300 -14.109 3.622 764 1HG LYS 98 1HG LYS 98 11.198 -13.356 4.181 765 2HG LYS 98 2HG LYS 98 9.902 -13.470 5.372 766 1HD LYS 98 1HD LYS 98 10.358 -15.654 5.612 767 2HD LYS 98 2HD LYS 98 9.717 -15.913 3.988 768 1HE LYS 98 1HE LYS 98 12.016 -15.533 3.047 769 2HE LYS 98 2HE LYS 98 12.629 -15.268 4.686 770 1HZ LYS 98 1HZ LYS 98 11.399 -17.771 3.716 771 2HZ LYS 98 2HZ LYS 98 11.972 -17.515 5.236 772 3HZ LYS 98 3HZ LYS 98 13.020 -17.526 3.960 773 H SER 99 H SER 99 8.890 -12.668 -0.203 774 HA SER 99 HA SER 99 6.844 -14.675 -0.873 775 1HB SER 99 1HB SER 99 6.363 -11.708 -0.419 776 2HB SER 99 2HB SER 99 5.237 -12.770 -1.269 777 HG SER 99 HG SER 99 5.981 -12.946 1.489 778 H GLY 100 H GLY 100 8.083 -11.444 -1.973 779 1HA GLY 100 1HA GLY 100 8.849 -10.805 -4.074 780 2HA GLY 100 2HA GLY 100 8.542 -12.380 -4.753 781 H VAL 101 H VAL 101 6.168 -10.598 -2.750 782 HA VAL 101 HA VAL 101 4.167 -10.247 -4.741 783 HB VAL 101 HB VAL 101 4.759 -8.645 -2.247 784 1HG1 VAL 101 1HG1 VAL 101 3.054 -7.606 -3.602 785 2HG1 VAL 101 2HG1 VAL 101 2.096 -9.117 -3.621 786 3HG1 VAL 101 3HG1 VAL 101 2.409 -8.230 -2.105 787 1HG2 VAL 101 1HG2 VAL 101 2.914 -10.315 -1.334 788 2HG2 VAL 101 2HG2 VAL 101 3.658 -11.398 -2.501 789 3HG2 VAL 101 3HG2 VAL 101 4.654 -10.573 -1.242 790 H VAL 102 H VAL 102 3.697 -8.253 -5.998 791 HA VAL 102 HA VAL 102 5.556 -6.026 -5.579 792 HB VAL 102 HB VAL 102 6.325 -5.844 -7.655 793 1HG1 VAL 102 1HG1 VAL 102 7.109 -8.068 -7.026 794 2HG1 VAL 102 2HG1 VAL 102 5.765 -8.789 -7.947 795 3HG1 VAL 102 3HG1 VAL 102 7.008 -7.833 -8.764 796 1HG2 VAL 102 1HG2 VAL 102 4.392 -5.333 -8.869 797 2HG2 VAL 102 2HG2 VAL 102 5.279 -6.539 -9.774 798 3HG2 VAL 102 3HG2 VAL 102 3.845 -7.013 -8.851 799 H LEU 103 H LEU 103 4.497 -3.931 -6.356 800 HA LEU 103 HA LEU 103 1.590 -3.982 -5.844 801 1HB LEU 103 1HB LEU 103 3.304 -1.676 -6.800 802 2HB LEU 103 2HB LEU 103 1.677 -1.590 -6.171 803 HG LEU 103 HG LEU 103 4.238 -2.100 -4.649 804 1HD1 LEU 103 1HD1 LEU 103 3.677 0.002 -3.580 805 2HD1 LEU 103 2HD1 LEU 103 2.072 0.012 -4.354 806 3HD1 LEU 103 3HD1 LEU 103 3.536 0.239 -5.330 807 1HD2 LEU 103 1HD2 LEU 103 1.378 -2.388 -3.635 808 2HD2 LEU 103 2HD2 LEU 103 2.747 -1.992 -2.567 809 3HD2 LEU 103 3HD2 LEU 103 2.753 -3.501 -3.462 810 H HIS 104 H HIS 104 0.012 -3.942 -7.456 811 HA HIS 104 HA HIS 104 0.939 -3.424 -10.257 812 1HB HIS 104 1HB HIS 104 -0.287 -5.841 -9.049 813 2HB HIS 104 2HB HIS 104 -0.865 -5.383 -10.645 814 HD1 HIS 104 HD1 HIS 104 2.163 -4.660 -11.872 815 HD2 HIS 104 HD2 HIS 104 0.813 -8.083 -9.787 816 HE1 HIS 104 HE1 HIS 104 3.657 -6.546 -12.547 817 H ARG 105 H ARG 105 -1.966 -3.503 -7.982 818 HA ARG 105 HA ARG 105 -3.073 -1.397 -9.695 819 1HB ARG 105 1HB ARG 105 -3.889 -3.712 -10.441 820 2HB ARG 105 2HB ARG 105 -4.670 -3.838 -8.867 821 1HG ARG 105 1HG ARG 105 -6.380 -3.084 -10.254 822 2HG ARG 105 2HG ARG 105 -5.861 -1.604 -9.485 823 1HD ARG 105 1HD ARG 105 -4.296 -1.302 -11.571 824 2HD ARG 105 2HD ARG 105 -5.277 -2.587 -12.301 825 HE ARG 105 HE ARG 105 -6.894 -0.489 -11.160 826 1HH1 ARG 105 2HH1 ARG 105 -4.966 -1.234 -14.086 827 2HH1 ARG 105 1HH1 ARG 105 -5.823 -0.072 -15.046 828 1HH2 ARG 105 2HH2 ARG 105 -8.057 0.925 -12.529 829 2HH2 ARG 105 1HH2 ARG 105 -7.639 1.060 -14.211 830 H ALA 106 H ALA 106 -4.634 -0.021 -8.472 831 HA ALA 106 HA ALA 106 -4.403 -0.394 -5.530 832 1HB ALA 106 1HB ALA 106 -3.095 1.474 -6.727 833 2HB ALA 106 2HB ALA 106 -4.677 2.209 -7.072 834 3HB ALA 106 3HB ALA 106 -4.155 1.959 -5.413 835 H VAL 107 H VAL 107 -6.346 -0.624 -4.459 836 HA VAL 107 HA VAL 107 -8.899 -0.412 -5.852 837 HB VAL 107 HB VAL 107 -8.307 -0.738 -2.888 838 1HG1 VAL 107 1HG1 VAL 107 -10.822 -1.478 -4.453 839 2HG1 VAL 107 2HG1 VAL 107 -10.555 -1.527 -2.691 840 3HG1 VAL 107 3HG1 VAL 107 -10.658 0.013 -3.497 841 1HG2 VAL 107 1HG2 VAL 107 -7.303 -2.618 -3.934 842 2HG2 VAL 107 2HG2 VAL 107 -8.916 -3.154 -3.407 843 3HG2 VAL 107 3HG2 VAL 107 -8.635 -2.787 -5.104 844 HA PRO 108 HA PRO 108 -9.154 3.947 -4.625 845 1HB PRO 108 1HB PRO 108 -11.405 4.647 -6.002 846 2HB PRO 108 2HB PRO 108 -9.792 4.434 -6.743 847 1HG PRO 108 1HG PRO 108 -12.173 2.588 -6.835 848 2HG PRO 108 2HG PRO 108 -10.831 2.781 -8.016 849 1HD PRO 108 1HD PRO 108 -11.121 0.770 -6.011 850 2HD PRO 108 2HD PRO 108 -9.745 1.057 -7.130 851 H SER 109 H SER 109 -9.744 4.439 -2.634 852 HA SER 109 HA SER 109 -12.051 3.386 -1.234 853 1HB SER 109 1HB SER 109 -9.780 3.998 -0.273 854 2HB SER 109 2HB SER 109 -10.155 5.686 -0.565 855 HG SER 109 HG SER 109 -10.691 5.281 1.475 856 H GLY 110 H GLY 110 -11.250 6.255 -3.126 857 1HA GLY 110 1HA GLY 110 -12.647 8.075 -3.735 858 2HA GLY 110 2HA GLY 110 -13.712 7.706 -2.366 859 HA PRO 111 HA PRO 111 -10.259 10.806 -1.524 860 1HB PRO 111 1HB PRO 111 -11.926 12.877 -0.554 861 2HB PRO 111 2HB PRO 111 -11.318 12.698 -2.213 862 1HG PRO 111 1HG PRO 111 -13.958 11.877 -1.011 863 2HG PRO 111 2HG PRO 111 -13.669 12.615 -2.621 864 1HD PRO 111 1HD PRO 111 -14.154 9.973 -2.302 865 2HD PRO 111 2HD PRO 111 -12.973 10.535 -3.510 866 H SER 112 H SER 112 -12.518 9.278 0.684 867 HA SER 112 HA SER 112 -10.781 9.886 2.910 868 1HB SER 112 1HB SER 112 -12.328 11.940 2.621 869 2HB SER 112 2HB SER 112 -13.670 10.858 3.036 870 HG SER 112 HG SER 112 -11.551 11.828 4.592 871 H SER 113 H SER 113 -11.555 8.831 4.859 872 HA SER 113 HA SER 113 -13.534 6.669 4.638 873 1HB SER 113 1HB SER 113 -10.574 6.338 5.344 874 2HB SER 113 2HB SER 113 -11.811 5.085 5.505 875 HG SER 113 HG SER 113 -12.030 4.998 3.324 876 H GLY 114 H GLY 114 -13.915 5.735 6.847 877 1HA GLY 114 1HA GLY 114 -12.727 6.504 9.221 878 2HA GLY 114 2HA GLY 114 -14.102 7.607 8.963 Start of MODEL 3 1 1H GLY 1 H GLY 1 -17.654 12.039 -13.458 2 1HA GLY 1 1HA GLY 1 -15.434 10.113 -13.876 3 2HA GLY 1 2HA GLY 1 -16.381 10.844 -15.190 4 H SER 2 H SER 2 -13.624 11.163 -13.242 5 HA SER 2 HA SER 2 -13.138 13.919 -14.206 6 1HB SER 2 1HB SER 2 -12.505 13.249 -11.347 7 2HB SER 2 2HB SER 2 -12.775 14.825 -12.083 8 HG SER 2 HG SER 2 -14.430 13.690 -10.628 9 H SER 3 H SER 3 -12.008 10.740 -13.850 10 HA SER 3 HA SER 3 -9.376 11.224 -12.900 11 1HB SER 3 1HB SER 3 -10.717 9.052 -12.848 12 2HB SER 3 2HB SER 3 -10.258 8.850 -14.554 13 HG SER 3 HG SER 3 -8.591 9.032 -12.257 14 H GLY 4 H GLY 4 -7.448 10.476 -14.184 15 1HA GLY 4 1HA GLY 4 -7.196 11.202 -16.996 16 2HA GLY 4 2HA GLY 4 -6.662 12.445 -15.837 17 H SER 5 H SER 5 -4.361 12.300 -15.901 18 HA SER 5 HA SER 5 -2.911 9.903 -16.110 19 1HB SER 5 1HB SER 5 -1.825 12.131 -14.409 20 2HB SER 5 2HB SER 5 -1.030 11.155 -15.644 21 HG SER 5 HG SER 5 -2.490 12.343 -17.171 22 H SER 6 H SER 6 -4.703 11.136 -13.428 23 HA SER 6 HA SER 6 -5.186 10.404 -11.355 24 1HB SER 6 1HB SER 6 -3.966 7.728 -12.056 25 2HB SER 6 2HB SER 6 -5.315 8.073 -10.978 26 HG SER 6 HG SER 6 -5.338 8.579 -13.790 27 H GLY 7 H GLY 7 -2.423 11.511 -11.990 28 1HA GLY 7 1HA GLY 7 -0.508 10.043 -10.405 29 2HA GLY 7 2HA GLY 7 -0.272 11.582 -11.245 30 H GLU 8 H GLU 8 -1.345 10.038 -8.288 31 HA GLU 8 HA GLU 8 -1.553 12.668 -6.888 32 1HB GLU 8 1HB GLU 8 -2.990 10.025 -6.510 33 2HB GLU 8 2HB GLU 8 -2.925 11.255 -5.223 34 1HG GLU 8 1HG GLU 8 -3.862 12.951 -6.701 35 2HG GLU 8 2HG GLU 8 -3.863 11.828 -8.062 36 H VAL 9 H VAL 9 0.842 10.707 -7.479 37 HA VAL 9 HA VAL 9 1.821 9.584 -5.217 38 HB VAL 9 HB VAL 9 3.570 11.217 -7.085 39 1HG1 VAL 9 1HG1 VAL 9 3.838 8.540 -5.763 40 2HG1 VAL 9 2HG1 VAL 9 5.080 9.296 -6.790 41 3HG1 VAL 9 3HG1 VAL 9 4.631 10.047 -5.245 42 1HG2 VAL 9 1HG2 VAL 9 2.329 8.516 -7.798 43 2HG2 VAL 9 2HG2 VAL 9 2.009 10.043 -8.645 44 3HG2 VAL 9 3HG2 VAL 9 3.610 9.335 -8.702 45 H GLN 10 H GLN 10 2.050 13.064 -6.210 46 HA GLN 10 HA GLN 10 3.731 13.617 -3.920 47 1HB GLN 10 1HB GLN 10 2.542 15.637 -5.804 48 2HB GLN 10 2HB GLN 10 3.967 15.806 -4.788 49 1HG GLN 10 1HG GLN 10 3.724 13.944 -7.192 50 2HG GLN 10 2HG GLN 10 4.513 15.504 -7.175 51 1HE2 GLN 10 2HE2 GLN 10 4.866 12.117 -6.342 52 2HE2 GLN 10 1HE2 GLN 10 6.538 12.184 -5.897 53 H LYS 11 H LYS 11 0.364 13.461 -4.278 54 HA LYS 11 HA LYS 11 -0.537 15.609 -2.565 55 1HB LYS 11 1HB LYS 11 -1.666 12.933 -3.428 56 2HB LYS 11 2HB LYS 11 -2.450 13.750 -2.148 57 1HG LYS 11 1HG LYS 11 -1.908 15.389 -4.613 58 2HG LYS 11 2HG LYS 11 -3.069 14.053 -4.743 59 1HD LYS 11 1HD LYS 11 -4.201 15.026 -2.646 60 2HD LYS 11 2HD LYS 11 -3.250 16.499 -2.955 61 1HE LYS 11 1HE LYS 11 -4.267 16.688 -5.190 62 2HE LYS 11 2HE LYS 11 -5.028 15.104 -4.987 63 1HZ LYS 11 1HZ LYS 11 -5.803 17.634 -3.764 64 2HZ LYS 11 2HZ LYS 11 -6.079 16.283 -2.924 65 3HZ LYS 11 3HZ LYS 11 -6.753 16.447 -4.420 66 HA PRO 12 HA PRO 12 0.460 14.050 1.481 67 1HB PRO 12 1HB PRO 12 -1.866 14.315 2.903 68 2HB PRO 12 2HB PRO 12 -0.796 15.677 2.523 69 1HG PRO 12 1HG PRO 12 -3.335 14.833 1.150 70 2HG PRO 12 2HG PRO 12 -2.810 16.492 1.532 71 1HD PRO 12 1HD PRO 12 -2.557 15.413 -0.924 72 2HD PRO 12 2HD PRO 12 -1.354 16.564 -0.346 73 H LEU 13 H LEU 13 0.018 12.180 2.850 74 HA LEU 13 HA LEU 13 -1.093 9.909 1.532 75 1HB LEU 13 1HB LEU 13 0.592 9.893 3.319 76 2HB LEU 13 2HB LEU 13 -0.622 10.366 4.508 77 HG LEU 13 HG LEU 13 -1.031 7.847 2.824 78 1HD1 LEU 13 1HD1 LEU 13 0.501 7.992 5.460 79 2HD1 LEU 13 2HD1 LEU 13 1.258 7.836 3.880 80 3HD1 LEU 13 3HD1 LEU 13 0.178 6.552 4.467 81 1HD2 LEU 13 1HD2 LEU 13 -2.134 7.013 4.887 82 2HD2 LEU 13 2HD2 LEU 13 -2.936 8.469 4.320 83 3HD2 LEU 13 3HD2 LEU 13 -1.821 8.559 5.698 84 H HIS 14 H HIS 14 -2.556 12.349 3.691 85 HA HIS 14 HA HIS 14 -4.812 10.725 4.255 86 1HB HIS 14 1HB HIS 14 -5.738 12.655 5.366 87 2HB HIS 14 2HB HIS 14 -4.058 12.431 5.779 88 HD1 HIS 14 HD1 HIS 14 -6.244 14.788 3.603 89 HD2 HIS 14 HD2 HIS 14 -2.482 14.536 5.496 90 HE1 HIS 14 HE1 HIS 14 -5.116 17.018 3.246 91 H GLU 15 H GLU 15 -4.183 12.070 1.262 92 HA GLU 15 HA GLU 15 -7.106 12.152 0.550 93 1HB GLU 15 1HB GLU 15 -4.786 13.848 -0.445 94 2HB GLU 15 2HB GLU 15 -6.320 13.712 -1.311 95 1HG GLU 15 1HG GLU 15 -7.572 14.624 0.550 96 2HG GLU 15 2HG GLU 15 -6.119 14.661 1.548 97 H GLN 16 H GLN 16 -4.675 10.060 0.492 98 HA GLN 16 HA GLN 16 -4.541 9.429 -2.356 99 1HB GLN 16 1HB GLN 16 -3.822 7.785 0.105 100 2HB GLN 16 2HB GLN 16 -3.434 7.350 -1.562 101 1HG GLN 16 1HG GLN 16 -2.480 9.853 -0.140 102 2HG GLN 16 2HG GLN 16 -1.540 8.383 -0.281 103 1HE2 GLN 16 2HE2 GLN 16 -1.051 11.222 -1.305 104 2HE2 GLN 16 1HE2 GLN 16 -0.760 10.959 -3.023 105 H LEU 17 H LEU 17 -5.233 7.294 -3.108 106 HA LEU 17 HA LEU 17 -8.110 7.048 -2.598 107 1HB LEU 17 1HB LEU 17 -7.969 5.678 -4.745 108 2HB LEU 17 2HB LEU 17 -7.858 7.374 -4.857 109 HG LEU 17 HG LEU 17 -5.324 5.672 -4.768 110 1HD1 LEU 17 1HD1 LEU 17 -6.771 4.574 -6.408 111 2HD1 LEU 17 2HD1 LEU 17 -5.426 5.392 -7.209 112 3HD1 LEU 17 3HD1 LEU 17 -7.046 6.126 -7.235 113 1HD2 LEU 17 1HD2 LEU 17 -6.000 8.270 -6.208 114 2HD2 LEU 17 2HD2 LEU 17 -4.440 7.425 -6.288 115 3HD2 LEU 17 3HD2 LEU 17 -4.982 8.130 -4.771 116 H TRP 18 H TRP 18 -5.289 4.889 -3.062 117 HA TRP 18 HA TRP 18 -6.521 2.489 -2.093 118 1HB TRP 18 1HB TRP 18 -4.035 1.868 -1.860 119 2HB TRP 18 2HB TRP 18 -4.643 2.245 -3.430 120 HD1 TRP 18 HD1 TRP 18 -3.191 3.925 -4.805 121 HE1 TRP 18 HE1 TRP 18 -1.483 5.685 -4.320 122 HE3 TRP 18 HE3 TRP 18 -3.129 3.660 0.340 123 HZ2 TRP 18 HZ2 TRP 18 0.036 6.577 -2.114 124 HZ3 TRP 18 HZ3 TRP 18 -1.502 5.018 1.618 125 HH2 TRP 18 HH2 TRP 18 0.138 6.450 0.418 126 H TYR 19 H TYR 19 -5.789 5.355 -0.423 127 HA TYR 19 HA TYR 19 -5.031 4.036 2.105 128 1HB TYR 19 1HB TYR 19 -4.090 6.177 1.611 129 2HB TYR 19 2HB TYR 19 -5.694 6.884 1.344 130 HD1 TYR 19 HD1 TYR 19 -5.959 8.529 2.959 131 HD2 TYR 19 HD2 TYR 19 -4.352 4.695 4.145 132 HE1 TYR 19 HE1 TYR 19 -6.215 9.155 5.334 133 HE2 TYR 19 HE2 TYR 19 -4.560 5.330 6.500 134 HH TYR 19 HH TYR 19 -6.477 8.073 7.493 135 H HIS 20 H HIS 20 -6.730 2.678 2.878 136 HA HIS 20 HA HIS 20 -9.527 3.657 2.687 137 1HB HIS 20 1HB HIS 20 -8.384 0.966 3.284 138 2HB HIS 20 2HB HIS 20 -10.018 1.447 3.742 139 HD1 HIS 20 HD1 HIS 20 -11.780 0.808 2.083 140 HD2 HIS 20 HD2 HIS 20 -8.022 1.680 0.353 141 HE1 HIS 20 HE1 HIS 20 -12.029 0.503 -0.452 142 H GLY 21 H GLY 21 -7.071 4.314 4.960 143 1HA GLY 21 1HA GLY 21 -7.380 5.554 6.865 144 2HA GLY 21 2HA GLY 21 -9.065 5.057 6.965 145 H ALA 22 H ALA 22 -9.553 3.399 8.265 146 HA ALA 22 HA ALA 22 -7.637 1.234 8.874 147 1HB ALA 22 1HB ALA 22 -8.707 0.918 11.059 148 2HB ALA 22 2HB ALA 22 -8.096 2.583 10.948 149 3HB ALA 22 3HB ALA 22 -9.817 2.272 10.739 150 H ILE 23 H ILE 23 -8.478 -0.779 8.211 151 HA ILE 23 HA ILE 23 -11.354 -1.231 8.256 152 HB ILE 23 HB ILE 23 -11.686 -1.480 6.065 153 1HG1 ILE 23 1HG1 ILE 23 -9.187 -3.209 5.871 154 2HG1 ILE 23 2HG1 ILE 23 -10.859 -3.734 6.085 155 1HG2 ILE 23 1HG2 ILE 23 -8.841 -0.756 5.495 156 2HG2 ILE 23 2HG2 ILE 23 -10.251 -0.575 4.416 157 3HG2 ILE 23 3HG2 ILE 23 -10.177 0.420 5.834 158 1HD1 ILE 23 1HD1 ILE 23 -9.678 -2.477 3.619 159 2HD1 ILE 23 2HD1 ILE 23 -10.292 -4.129 3.830 160 3HD1 ILE 23 3HD1 ILE 23 -11.418 -2.743 3.876 161 HA PRO 24 HA PRO 24 -9.811 -4.991 10.141 162 1HB PRO 24 1HB PRO 24 -11.727 -6.854 9.454 163 2HB PRO 24 2HB PRO 24 -12.022 -5.545 10.640 164 1HG PRO 24 1HG PRO 24 -12.660 -5.623 7.700 165 2HG PRO 24 2HG PRO 24 -13.767 -5.152 9.027 166 1HD PRO 24 1HD PRO 24 -12.491 -3.292 7.559 167 2HD PRO 24 2HD PRO 24 -12.696 -3.074 9.313 168 H ARG 25 H ARG 25 -9.233 -7.380 9.513 169 HA ARG 25 HA ARG 25 -7.912 -7.437 6.851 170 1HB ARG 25 1HB ARG 25 -6.788 -8.740 8.521 171 2HB ARG 25 2HB ARG 25 -8.277 -9.322 9.208 172 1HG ARG 25 1HG ARG 25 -8.581 -10.720 7.003 173 2HG ARG 25 2HG ARG 25 -6.892 -10.312 6.708 174 1HD ARG 25 1HD ARG 25 -6.801 -12.373 7.813 175 2HD ARG 25 2HD ARG 25 -6.547 -11.216 9.134 176 HE ARG 25 HE ARG 25 -9.059 -11.385 9.481 177 1HH1 ARG 25 2HH1 ARG 25 -7.356 -14.219 8.192 178 2HH1 ARG 25 1HH1 ARG 25 -8.209 -15.352 9.188 179 1HH2 ARG 25 2HH2 ARG 25 -10.189 -12.853 10.781 180 2HH2 ARG 25 1HH2 ARG 25 -10.035 -14.544 10.547 181 H ALA 26 H ALA 26 -10.851 -8.860 8.276 182 HA ALA 26 HA ALA 26 -11.352 -10.648 6.260 183 1HB ALA 26 1HB ALA 26 -12.560 -10.655 8.295 184 2HB ALA 26 2HB ALA 26 -13.262 -9.043 7.996 185 3HB ALA 26 3HB ALA 26 -13.761 -10.420 6.999 186 H GLU 27 H GLU 27 -12.203 -7.204 6.237 187 HA GLU 27 HA GLU 27 -13.857 -7.216 3.896 188 1HB GLU 27 1HB GLU 27 -12.314 -5.145 5.442 189 2HB GLU 27 2HB GLU 27 -13.251 -4.676 4.027 190 1HG GLU 27 1HG GLU 27 -14.460 -6.227 6.356 191 2HG GLU 27 2HG GLU 27 -14.329 -4.468 6.347 192 H VAL 28 H VAL 28 -10.360 -7.137 4.248 193 HA VAL 28 HA VAL 28 -9.627 -5.706 2.006 194 HB VAL 28 HB VAL 28 -8.309 -8.143 3.264 195 1HG1 VAL 28 1HG1 VAL 28 -6.284 -7.472 2.179 196 2HG1 VAL 28 2HG1 VAL 28 -7.466 -7.905 0.980 197 3HG1 VAL 28 3HG1 VAL 28 -7.133 -6.191 1.271 198 1HG2 VAL 28 1HG2 VAL 28 -8.562 -6.155 4.752 199 2HG2 VAL 28 2HG2 VAL 28 -6.873 -6.502 4.380 200 3HG2 VAL 28 3HG2 VAL 28 -7.716 -5.164 3.561 201 H ALA 29 H ALA 29 -10.062 -9.290 2.045 202 HA ALA 29 HA ALA 29 -9.482 -9.498 -0.754 203 1HB ALA 29 1HB ALA 29 -11.331 -11.460 0.474 204 2HB ALA 29 2HB ALA 29 -9.903 -11.697 -0.617 205 3HB ALA 29 3HB ALA 29 -9.685 -11.338 1.112 206 H GLU 30 H GLU 30 -12.220 -8.227 0.609 207 HA GLU 30 HA GLU 30 -14.098 -8.837 -1.569 208 1HB GLU 30 1HB GLU 30 -15.485 -8.510 0.141 209 2HB GLU 30 2HB GLU 30 -14.274 -7.793 1.139 210 1HG GLU 30 1HG GLU 30 -15.828 -6.151 1.111 211 2HG GLU 30 2HG GLU 30 -14.753 -5.559 -0.146 212 H LEU 31 H LEU 31 -11.903 -6.218 -0.423 213 HA LEU 31 HA LEU 31 -12.596 -4.339 -2.496 214 1HB LEU 31 1HB LEU 31 -10.086 -4.593 -0.769 215 2HB LEU 31 2HB LEU 31 -10.560 -3.194 -1.701 216 HG LEU 31 HG LEU 31 -12.081 -4.278 0.732 217 1HD1 LEU 31 1HD1 LEU 31 -9.991 -3.344 1.391 218 2HD1 LEU 31 2HD1 LEU 31 -11.253 -2.139 1.724 219 3HD1 LEU 31 3HD1 LEU 31 -10.193 -1.926 0.325 220 1HD2 LEU 31 1HD2 LEU 31 -13.273 -2.080 0.555 221 2HD2 LEU 31 2HD2 LEU 31 -13.603 -3.121 -0.845 222 3HD2 LEU 31 3HD2 LEU 31 -12.445 -1.775 -0.982 223 H LEU 32 H LEU 32 -10.144 -6.861 -1.998 224 HA LEU 32 HA LEU 32 -8.925 -6.244 -4.621 225 1HB LEU 32 1HB LEU 32 -7.768 -8.325 -2.812 226 2HB LEU 32 2HB LEU 32 -6.988 -7.220 -3.920 227 HG LEU 32 HG LEU 32 -8.088 -6.566 -1.185 228 1HD1 LEU 32 1HD1 LEU 32 -5.763 -6.217 -0.534 229 2HD1 LEU 32 2HD1 LEU 32 -5.263 -6.781 -2.127 230 3HD1 LEU 32 3HD1 LEU 32 -6.112 -7.906 -1.043 231 1HD2 LEU 32 1HD2 LEU 32 -6.295 -4.630 -2.558 232 2HD2 LEU 32 2HD2 LEU 32 -7.740 -4.371 -1.510 233 3HD2 LEU 32 3HD2 LEU 32 -7.956 -4.743 -3.175 234 H VAL 33 H VAL 33 -9.639 -7.396 -6.243 235 HA VAL 33 HA VAL 33 -10.415 -10.271 -5.847 236 HB VAL 33 HB VAL 33 -11.173 -8.349 -8.103 237 1HG1 VAL 33 1HG1 VAL 33 -12.281 -11.093 -7.419 238 2HG1 VAL 33 2HG1 VAL 33 -12.872 -10.020 -8.710 239 3HG1 VAL 33 3HG1 VAL 33 -11.242 -10.695 -8.808 240 1HG2 VAL 33 1HG2 VAL 33 -13.460 -8.387 -7.123 241 2HG2 VAL 33 2HG2 VAL 33 -12.824 -9.243 -5.702 242 3HG2 VAL 33 3HG2 VAL 33 -12.303 -7.585 -6.060 243 H HIS 34 H HIS 34 -8.474 -7.919 -7.654 244 HA HIS 34 HA HIS 34 -7.448 -10.027 -9.403 245 1HB HIS 34 1HB HIS 34 -6.812 -7.085 -9.529 246 2HB HIS 34 2HB HIS 34 -6.830 -8.275 -10.828 247 HD1 HIS 34 HD1 HIS 34 -8.958 -5.722 -9.159 248 HD2 HIS 34 HD2 HIS 34 -9.653 -9.351 -11.134 249 HE1 HIS 34 HE1 HIS 34 -11.402 -5.682 -9.927 250 H SER 35 H SER 35 -5.272 -10.582 -9.543 251 HA SER 35 HA SER 35 -3.658 -10.425 -7.203 252 1HB SER 35 1HB SER 35 -2.062 -11.513 -8.919 253 2HB SER 35 2HB SER 35 -3.533 -12.381 -8.474 254 HG SER 35 HG SER 35 -3.179 -12.377 -10.753 255 H GLY 36 H GLY 36 -3.365 -8.280 -6.832 256 1HA GLY 36 1HA GLY 36 -1.138 -6.806 -7.551 257 2HA GLY 36 2HA GLY 36 -2.306 -6.480 -8.865 258 H ASP 37 H ASP 37 -4.628 -6.715 -6.976 259 HA ASP 37 HA ASP 37 -4.818 -3.893 -6.542 260 1HB ASP 37 1HB ASP 37 -6.614 -6.245 -6.104 261 2HB ASP 37 2HB ASP 37 -6.853 -4.899 -5.031 262 H PHE 38 H PHE 38 -4.281 -2.686 -4.818 263 HA PHE 38 HA PHE 38 -3.613 -3.974 -2.254 264 1HB PHE 38 1HB PHE 38 -1.544 -2.703 -2.076 265 2HB PHE 38 2HB PHE 38 -1.492 -3.690 -3.530 266 HD1 PHE 38 HD1 PHE 38 -2.189 -0.154 -2.449 267 HD2 PHE 38 HD2 PHE 38 -0.879 -2.833 -5.572 268 HE1 PHE 38 HE1 PHE 38 -1.617 1.790 -3.924 269 HE2 PHE 38 HE2 PHE 38 -0.405 -0.894 -7.036 270 HZ PHE 38 HZ PHE 38 -0.793 1.422 -6.181 271 H LEU 39 H LEU 39 -3.740 -2.583 -0.382 272 HA LEU 39 HA LEU 39 -4.655 0.142 -0.755 273 1HB LEU 39 1HB LEU 39 -6.510 -0.113 0.698 274 2HB LEU 39 2HB LEU 39 -6.704 -1.257 -0.602 275 HG LEU 39 HG LEU 39 -5.264 -2.583 1.581 276 1HD1 LEU 39 1HD1 LEU 39 -6.200 -0.837 2.970 277 2HD1 LEU 39 2HD1 LEU 39 -6.886 -2.433 3.344 278 3HD1 LEU 39 3HD1 LEU 39 -7.840 -1.252 2.409 279 1HD2 LEU 39 1HD2 LEU 39 -6.444 -3.907 0.121 280 2HD2 LEU 39 2HD2 LEU 39 -7.953 -2.967 0.301 281 3HD2 LEU 39 3HD2 LEU 39 -7.370 -3.979 1.632 282 H VAL 40 H VAL 40 -4.424 1.267 1.345 283 HA VAL 40 HA VAL 40 -2.466 0.033 3.234 284 HB VAL 40 HB VAL 40 -2.882 2.933 2.406 285 1HG1 VAL 40 1HG1 VAL 40 -1.355 1.860 4.796 286 2HG1 VAL 40 2HG1 VAL 40 -0.969 3.422 4.035 287 3HG1 VAL 40 3HG1 VAL 40 -2.552 3.176 4.739 288 1HG2 VAL 40 1HG2 VAL 40 -1.406 1.491 1.007 289 2HG2 VAL 40 2HG2 VAL 40 -0.489 2.775 1.812 290 3HG2 VAL 40 3HG2 VAL 40 -0.434 1.115 2.434 291 H ARG 41 H ARG 41 -3.233 -0.306 5.205 292 HA ARG 41 HA ARG 41 -5.617 1.106 6.051 293 1HB ARG 41 1HB ARG 41 -6.583 -1.008 7.011 294 2HB ARG 41 2HB ARG 41 -6.400 -1.158 5.263 295 1HG ARG 41 1HG ARG 41 -4.134 -2.306 5.785 296 2HG ARG 41 2HG ARG 41 -4.633 -2.348 7.461 297 1HD ARG 41 1HD ARG 41 -6.513 -3.463 5.357 298 2HD ARG 41 2HD ARG 41 -5.106 -4.397 5.827 299 HE ARG 41 HE ARG 41 -7.393 -3.617 7.530 300 1HH1 ARG 41 2HH1 ARG 41 -4.438 -5.627 7.268 301 2HH1 ARG 41 1HH1 ARG 41 -4.574 -6.228 8.883 302 1HH2 ARG 41 2HH2 ARG 41 -7.428 -4.235 9.612 303 2HH2 ARG 41 1HH2 ARG 41 -6.439 -5.491 10.263 304 H GLU 42 H GLU 42 -5.984 0.719 8.478 305 HA GLU 42 HA GLU 42 -3.323 0.971 9.778 306 1HB GLU 42 1HB GLU 42 -4.831 2.905 9.721 307 2HB GLU 42 2HB GLU 42 -6.067 2.008 10.564 308 1HG GLU 42 1HG GLU 42 -4.015 1.732 12.386 309 2HG GLU 42 2HG GLU 42 -3.338 3.044 11.457 310 H SER 43 H SER 43 -2.872 -0.094 11.653 311 HA SER 43 HA SER 43 -3.854 -2.728 12.107 312 1HB SER 43 1HB SER 43 -1.567 -1.697 12.612 313 2HB SER 43 2HB SER 43 -2.359 -0.845 13.961 314 HG SER 43 HG SER 43 -1.279 -3.224 13.953 315 H GLN 44 H GLN 44 -4.791 -3.436 14.206 316 HA GLN 44 HA GLN 44 -7.104 -1.831 14.882 317 1HB GLN 44 1HB GLN 44 -7.699 -3.643 16.441 318 2HB GLN 44 2HB GLN 44 -7.501 -4.101 14.760 319 1HG GLN 44 1HG GLN 44 -5.245 -5.074 15.322 320 2HG GLN 44 2HG GLN 44 -5.551 -4.703 17.019 321 1HE2 GLN 44 2HE2 GLN 44 -7.283 -6.304 14.248 322 2HE2 GLN 44 1HE2 GLN 44 -8.006 -7.569 15.243 323 H GLY 45 H GLY 45 -6.710 0.021 15.891 324 1HA GLY 45 1HA GLY 45 -6.517 1.394 17.667 325 2HA GLY 45 2HA GLY 45 -6.224 -0.030 18.671 326 H LYS 46 H LYS 46 -3.867 -0.034 16.355 327 HA LYS 46 HA LYS 46 -1.891 1.390 18.081 328 1HB LYS 46 1HB LYS 46 -1.212 -0.073 15.525 329 2HB LYS 46 2HB LYS 46 -0.166 0.295 16.877 330 1HG LYS 46 1HG LYS 46 -2.423 -1.773 16.907 331 2HG LYS 46 2HG LYS 46 -0.721 -2.120 16.666 332 1HD LYS 46 1HD LYS 46 -0.119 -1.617 18.845 333 2HD LYS 46 2HD LYS 46 -1.539 -0.643 19.177 334 1HE LYS 46 1HE LYS 46 -1.696 -3.636 18.655 335 2HE LYS 46 2HE LYS 46 -1.402 -2.980 20.266 336 1HZ LYS 46 1HZ LYS 46 -3.719 -3.496 19.860 337 2HZ LYS 46 2HZ LYS 46 -3.817 -2.440 18.642 338 3HZ LYS 46 3HZ LYS 46 -3.531 -1.899 20.187 339 H GLN 47 H GLN 47 -0.264 2.686 16.562 340 HA GLN 47 HA GLN 47 -1.791 4.049 14.372 341 1HB GLN 47 1HB GLN 47 0.325 5.345 16.122 342 2HB GLN 47 2HB GLN 47 -0.559 6.080 14.791 343 1HG GLN 47 1HG GLN 47 -2.696 5.737 16.064 344 2HG GLN 47 2HG GLN 47 -1.767 5.079 17.415 345 1HE2 GLN 47 2HE2 GLN 47 -0.085 6.579 18.465 346 2HE2 GLN 47 1HE2 GLN 47 -0.501 8.306 18.414 347 H GLU 48 H GLU 48 -0.980 1.905 13.371 348 HA GLU 48 HA GLU 48 1.624 2.316 12.178 349 1HB GLU 48 1HB GLU 48 2.457 0.906 13.713 350 2HB GLU 48 2HB GLU 48 0.900 0.193 14.147 351 1HG GLU 48 1HG GLU 48 0.902 -1.268 12.317 352 2HG GLU 48 2HG GLU 48 2.264 -0.448 11.530 353 H TYR 49 H TYR 49 1.391 1.915 10.046 354 HA TYR 49 HA TYR 49 -1.275 1.029 9.125 355 1HB TYR 49 1HB TYR 49 1.059 2.253 7.601 356 2HB TYR 49 2HB TYR 49 -0.422 1.667 6.865 357 HD1 TYR 49 HD1 TYR 49 1.046 4.643 7.602 358 HD2 TYR 49 HD2 TYR 49 -2.662 2.550 8.277 359 HE1 TYR 49 HE1 TYR 49 -0.127 6.801 7.872 360 HE2 TYR 49 HE2 TYR 49 -3.805 4.686 8.682 361 HH TYR 49 HH TYR 49 -3.604 6.895 8.871 362 H VAL 50 H VAL 50 -1.495 -0.446 7.443 363 HA VAL 50 HA VAL 50 0.428 -2.666 7.379 364 HB VAL 50 HB VAL 50 -2.568 -3.038 7.527 365 1HG1 VAL 50 1HG1 VAL 50 -1.982 -5.308 8.219 366 2HG1 VAL 50 2HG1 VAL 50 -1.158 -4.896 6.707 367 3HG1 VAL 50 3HG1 VAL 50 -0.254 -4.896 8.218 368 1HG2 VAL 50 1HG2 VAL 50 -2.120 -3.694 9.992 369 2HG2 VAL 50 2HG2 VAL 50 -0.695 -2.630 9.797 370 3HG2 VAL 50 3HG2 VAL 50 -2.313 -1.978 9.547 371 H LEU 51 H LEU 51 0.639 -3.391 5.467 372 HA LEU 51 HA LEU 51 -0.774 -2.178 3.157 373 1HB LEU 51 1HB LEU 51 1.739 -2.818 3.139 374 2HB LEU 51 2HB LEU 51 1.225 -4.498 3.212 375 HG LEU 51 HG LEU 51 -0.005 -4.222 1.065 376 1HD1 LEU 51 1HD1 LEU 51 -0.518 -1.797 1.118 377 2HD1 LEU 51 2HD1 LEU 51 0.475 -2.166 -0.277 378 3HD1 LEU 51 3HD1 LEU 51 1.207 -1.438 1.180 379 1HD2 LEU 51 1HD2 LEU 51 2.890 -3.280 1.009 380 2HD2 LEU 51 2HD2 LEU 51 1.985 -3.977 -0.352 381 3HD2 LEU 51 3HD2 LEU 51 2.352 -4.968 1.078 382 H SER 52 H SER 52 -2.346 -3.340 1.983 383 HA SER 52 HA SER 52 -2.284 -6.200 2.439 384 1HB SER 52 1HB SER 52 -4.416 -4.803 3.617 385 2HB SER 52 2HB SER 52 -5.089 -5.432 2.109 386 HG SER 52 HG SER 52 -4.190 -7.443 2.649 387 H VAL 53 H VAL 53 -1.805 -6.995 0.615 388 HA VAL 53 HA VAL 53 -2.954 -5.968 -1.907 389 HB VAL 53 HB VAL 53 -0.757 -5.090 -1.849 390 1HG1 VAL 53 1HG1 VAL 53 0.270 -6.387 -0.055 391 2HG1 VAL 53 2HG1 VAL 53 0.319 -7.822 -1.103 392 3HG1 VAL 53 3HG1 VAL 53 1.274 -6.360 -1.489 393 1HG2 VAL 53 1HG2 VAL 53 -1.416 -6.129 -4.016 394 2HG2 VAL 53 2HG2 VAL 53 0.334 -6.104 -3.768 395 3HG2 VAL 53 3HG2 VAL 53 -0.566 -7.616 -3.546 396 H LEU 54 H LEU 54 -3.594 -7.663 -3.372 397 HA LEU 54 HA LEU 54 -3.906 -10.326 -2.087 398 1HB LEU 54 1HB LEU 54 -5.771 -9.036 -3.233 399 2HB LEU 54 2HB LEU 54 -4.947 -9.275 -4.749 400 HG LEU 54 HG LEU 54 -5.227 -11.754 -4.468 401 1HD1 LEU 54 1HD1 LEU 54 -6.827 -12.614 -2.804 402 2HD1 LEU 54 2HD1 LEU 54 -6.681 -11.067 -1.937 403 3HD1 LEU 54 3HD1 LEU 54 -5.256 -12.134 -2.195 404 1HD2 LEU 54 1HD2 LEU 54 -7.819 -10.305 -4.234 405 2HD2 LEU 54 2HD2 LEU 54 -7.523 -11.863 -5.025 406 3HD2 LEU 54 3HD2 LEU 54 -6.839 -10.384 -5.707 407 H TRP 55 H TRP 55 -2.245 -11.847 -2.492 408 HA TRP 55 HA TRP 55 -1.085 -11.880 -5.200 409 1HB TRP 55 1HB TRP 55 0.354 -10.651 -3.299 410 2HB TRP 55 2HB TRP 55 0.718 -12.317 -2.831 411 HD1 TRP 55 HD1 TRP 55 2.712 -13.352 -4.111 412 HE1 TRP 55 HE1 TRP 55 4.028 -12.843 -6.248 413 HE3 TRP 55 HE3 TRP 55 -0.061 -9.414 -5.801 414 HZ2 TRP 55 HZ2 TRP 55 4.072 -10.686 -8.286 415 HZ3 TRP 55 HZ3 TRP 55 0.655 -8.143 -7.797 416 HH2 TRP 55 HH2 TRP 55 2.668 -8.862 -9.090 417 H ASP 56 H ASP 56 -0.652 -13.954 -5.891 418 HA ASP 56 HA ASP 56 -0.934 -16.184 -6.055 419 1HB ASP 56 1HB ASP 56 -0.077 -16.369 -3.150 420 2HB ASP 56 2HB ASP 56 0.039 -17.616 -4.388 421 H GLY 57 H GLY 57 -3.261 -14.541 -5.087 422 1HA GLY 57 1HA GLY 57 -5.481 -14.997 -4.661 423 2HA GLY 57 2HA GLY 57 -5.094 -16.696 -4.434 424 H LEU 58 H LEU 58 -3.147 -14.580 -2.468 425 HA LEU 58 HA LEU 58 -4.958 -14.988 -0.149 426 1HB LEU 58 1HB LEU 58 -3.029 -16.548 -0.056 427 2HB LEU 58 2HB LEU 58 -1.928 -15.170 -0.145 428 HG LEU 58 HG LEU 58 -3.858 -14.587 1.939 429 1HD1 LEU 58 1HD1 LEU 58 -3.648 -16.394 3.486 430 2HD1 LEU 58 2HD1 LEU 58 -2.667 -17.337 2.351 431 3HD1 LEU 58 3HD1 LEU 58 -4.365 -16.989 1.987 432 1HD2 LEU 58 1HD2 LEU 58 -1.609 -13.712 1.888 433 2HD2 LEU 58 2HD2 LEU 58 -0.930 -15.328 2.178 434 3HD2 LEU 58 3HD2 LEU 58 -1.927 -14.548 3.419 435 HA PRO 59 HA PRO 59 -4.181 -10.519 -0.139 436 1HB PRO 59 1HB PRO 59 -5.856 -9.863 1.941 437 2HB PRO 59 2HB PRO 59 -6.393 -10.144 0.258 438 1HG PRO 59 1HG PRO 59 -6.450 -11.982 2.599 439 2HG PRO 59 2HG PRO 59 -7.693 -11.756 1.329 440 1HD PRO 59 1HD PRO 59 -5.903 -13.843 1.425 441 2HD PRO 59 2HD PRO 59 -6.626 -13.220 -0.090 442 H ARG 60 H ARG 60 -1.961 -10.809 0.379 443 HA ARG 60 HA ARG 60 -0.931 -11.560 2.898 444 1HB ARG 60 1HB ARG 60 0.153 -9.664 0.772 445 2HB ARG 60 2HB ARG 60 1.102 -10.379 2.069 446 1HG ARG 60 1HG ARG 60 -0.253 -11.976 -0.138 447 2HG ARG 60 2HG ARG 60 1.389 -11.381 -0.251 448 1HD ARG 60 1HD ARG 60 0.786 -12.734 2.312 449 2HD ARG 60 2HD ARG 60 0.539 -13.747 0.885 450 HE ARG 60 HE ARG 60 2.831 -13.492 0.308 451 1HH1 ARG 60 2HH1 ARG 60 1.951 -12.837 3.736 452 2HH1 ARG 60 1HH1 ARG 60 3.603 -13.061 4.280 453 1HH2 ARG 60 2HH2 ARG 60 4.936 -13.932 1.233 454 2HH2 ARG 60 1HH2 ARG 60 5.230 -13.615 2.940 455 H HIS 61 H HIS 61 0.067 -10.201 4.469 456 HA HIS 61 HA HIS 61 -1.021 -7.464 4.706 457 1HB HIS 61 1HB HIS 61 -1.609 -8.118 7.112 458 2HB HIS 61 2HB HIS 61 -2.648 -8.660 5.817 459 HD1 HIS 61 HD1 HIS 61 -0.162 -10.102 8.331 460 HD2 HIS 61 HD2 HIS 61 -2.914 -11.255 5.369 461 HE1 HIS 61 HE1 HIS 61 -0.368 -12.668 8.491 462 H PHE 62 H PHE 62 1.275 -7.202 4.052 463 HA PHE 62 HA PHE 62 3.339 -7.607 6.076 464 1HB PHE 62 1HB PHE 62 3.445 -5.835 3.582 465 2HB PHE 62 2HB PHE 62 4.770 -6.501 4.503 466 HD1 PHE 62 HD1 PHE 62 5.122 -9.080 4.468 467 HD2 PHE 62 HD2 PHE 62 2.394 -7.078 1.796 468 HE1 PHE 62 HE1 PHE 62 5.145 -11.039 2.943 469 HE2 PHE 62 HE2 PHE 62 2.455 -9.034 0.284 470 HZ PHE 62 HZ PHE 62 3.994 -10.949 0.744 471 H ILE 63 H ILE 63 3.787 -6.111 7.633 472 HA ILE 63 HA ILE 63 2.041 -3.799 8.072 473 HB ILE 63 HB ILE 63 4.534 -4.933 9.364 474 1HG1 ILE 63 1HG1 ILE 63 2.256 -5.927 9.749 475 2HG1 ILE 63 2HG1 ILE 63 3.089 -5.396 11.177 476 1HG2 ILE 63 1HG2 ILE 63 5.017 -2.647 9.656 477 2HG2 ILE 63 2HG2 ILE 63 3.334 -2.217 10.020 478 3HG2 ILE 63 3HG2 ILE 63 4.300 -3.169 11.167 479 1HD1 ILE 63 1HD1 ILE 63 1.642 -3.342 11.277 480 2HD1 ILE 63 2HD1 ILE 63 0.900 -3.859 9.776 481 3HD1 ILE 63 3HD1 ILE 63 0.663 -4.820 11.226 482 H ILE 64 H ILE 64 2.470 -1.624 7.587 483 HA ILE 64 HA ILE 64 4.240 -1.204 5.348 484 HB ILE 64 HB ILE 64 2.797 0.793 7.102 485 1HG1 ILE 64 1HG1 ILE 64 1.316 -0.728 5.816 486 2HG1 ILE 64 2HG1 ILE 64 1.115 0.976 5.481 487 1HG2 ILE 64 1HG2 ILE 64 4.308 1.213 4.492 488 2HG2 ILE 64 2HG2 ILE 64 3.110 2.351 5.130 489 3HG2 ILE 64 3HG2 ILE 64 4.567 2.024 6.051 490 1HD1 ILE 64 1HD1 ILE 64 2.696 -0.844 3.670 491 2HD1 ILE 64 2HD1 ILE 64 0.965 -0.457 3.489 492 3HD1 ILE 64 3HD1 ILE 64 2.166 0.836 3.372 493 H GLN 65 H GLN 65 6.099 -0.278 5.337 494 HA GLN 65 HA GLN 65 8.089 -0.633 7.323 495 1HB GLN 65 1HB GLN 65 8.231 1.514 5.175 496 2HB GLN 65 2HB GLN 65 9.543 0.501 5.740 497 1HG GLN 65 1HG GLN 65 9.067 -0.485 3.657 498 2HG GLN 65 2HG GLN 65 8.068 -1.458 4.702 499 1HE2 GLN 65 2HE2 GLN 65 8.074 1.427 2.500 500 2HE2 GLN 65 1HE2 GLN 65 6.396 1.286 2.067 501 H SER 66 H SER 66 9.325 1.109 8.444 502 HA SER 66 HA SER 66 8.600 3.775 8.377 503 1HB SER 66 1HB SER 66 6.651 2.536 9.912 504 2HB SER 66 2HB SER 66 7.888 2.819 11.102 505 HG SER 66 HG SER 66 6.643 4.597 11.086 506 H LEU 67 H LEU 67 10.357 4.778 9.216 507 HA LEU 67 HA LEU 67 11.985 3.457 11.306 508 1HB LEU 67 1HB LEU 67 14.044 4.465 10.281 509 2HB LEU 67 2HB LEU 67 13.408 3.016 9.539 510 HG LEU 67 HG LEU 67 12.660 5.680 8.316 511 1HD1 LEU 67 1HD1 LEU 67 15.283 4.194 7.983 512 2HD1 LEU 67 2HD1 LEU 67 15.080 5.839 8.628 513 3HD1 LEU 67 3HD1 LEU 67 14.738 5.499 6.919 514 1HD2 LEU 67 1HD2 LEU 67 13.249 2.901 7.211 515 2HD2 LEU 67 2HD2 LEU 67 12.804 4.295 6.212 516 3HD2 LEU 67 3HD2 LEU 67 11.638 3.610 7.355 517 H ASP 68 H ASP 68 13.375 6.328 10.344 518 HA ASP 68 HA ASP 68 12.543 7.650 12.749 519 1HB ASP 68 1HB ASP 68 14.145 8.523 10.311 520 2HB ASP 68 2HB ASP 68 13.969 9.501 11.778 521 H ASN 69 H ASN 69 12.280 8.599 9.320 522 HA ASN 69 HA ASN 69 9.587 9.654 9.736 523 1HB ASN 69 1HB ASN 69 11.559 11.433 10.090 524 2HB ASN 69 2HB ASN 69 11.518 11.498 8.328 525 1HD2 ASN 69 2HD2 ASN 69 9.167 11.864 7.405 526 2HD2 ASN 69 1HD2 ASN 69 8.084 12.836 8.395 527 H LEU 70 H LEU 70 11.392 7.616 8.093 528 HA LEU 70 HA LEU 70 10.159 8.162 5.443 529 1HB LEU 70 1HB LEU 70 12.702 6.573 5.785 530 2HB LEU 70 2HB LEU 70 12.035 7.181 4.328 531 HG LEU 70 HG LEU 70 12.815 9.319 6.262 532 1HD1 LEU 70 1HD1 LEU 70 14.889 7.511 5.007 533 2HD1 LEU 70 2HD1 LEU 70 14.611 7.792 6.745 534 3HD1 LEU 70 3HD1 LEU 70 15.219 9.101 5.729 535 1HD2 LEU 70 1HD2 LEU 70 12.124 9.910 4.023 536 2HD2 LEU 70 2HD2 LEU 70 13.340 8.821 3.298 537 3HD2 LEU 70 3HD2 LEU 70 13.834 10.256 4.201 538 H TYR 71 H TYR 71 10.169 6.015 4.155 539 HA TYR 71 HA TYR 71 9.383 3.654 5.799 540 1HB TYR 71 1HB TYR 71 8.012 4.653 3.243 541 2HB TYR 71 2HB TYR 71 7.451 3.396 4.345 542 HD1 TYR 71 HD1 TYR 71 7.606 7.011 3.668 543 HD2 TYR 71 HD2 TYR 71 6.633 4.075 6.610 544 HE1 TYR 71 HE1 TYR 71 6.366 8.717 4.978 545 HE2 TYR 71 HE2 TYR 71 5.359 5.707 7.905 546 HH TYR 71 HH TYR 71 4.247 7.757 7.689 547 H ARG 72 H ARG 72 10.569 1.789 4.886 548 HA ARG 72 HA ARG 72 11.602 2.039 2.120 549 1HB ARG 72 1HB ARG 72 13.808 1.597 2.772 550 2HB ARG 72 2HB ARG 72 13.278 3.014 3.643 551 1HG ARG 72 1HG ARG 72 14.517 1.976 5.241 552 2HG ARG 72 2HG ARG 72 12.920 1.335 5.631 553 1HD ARG 72 1HD ARG 72 13.622 -0.754 5.333 554 2HD ARG 72 2HD ARG 72 14.125 -0.424 3.685 555 HE ARG 72 HE ARG 72 15.759 -0.147 6.159 556 1HH1 ARG 72 2HH1 ARG 72 15.790 -0.519 2.596 557 2HH1 ARG 72 1HH1 ARG 72 17.233 -1.468 2.610 558 1HH2 ARG 72 2HH2 ARG 72 17.958 -0.824 6.024 559 2HH2 ARG 72 1HH2 ARG 72 18.635 -1.316 4.511 560 H LEU 73 H LEU 73 11.480 0.044 1.062 561 HA LEU 73 HA LEU 73 10.670 -2.219 2.817 562 1HB LEU 73 1HB LEU 73 8.896 -1.133 1.374 563 2HB LEU 73 2HB LEU 73 9.654 -1.903 -0.030 564 HG LEU 73 HG LEU 73 9.198 -4.004 0.535 565 1HD1 LEU 73 1HD1 LEU 73 8.077 -4.749 2.551 566 2HD1 LEU 73 2HD1 LEU 73 8.227 -3.154 3.303 567 3HD1 LEU 73 3HD1 LEU 73 9.679 -4.130 2.959 568 1HD2 LEU 73 1HD2 LEU 73 6.802 -2.332 1.418 569 2HD2 LEU 73 2HD2 LEU 73 6.759 -3.952 0.717 570 3HD2 LEU 73 3HD2 LEU 73 7.342 -2.586 -0.257 571 H GLU 74 H GLU 74 11.864 -2.013 -0.625 572 HA GLU 74 HA GLU 74 13.428 -4.461 -0.117 573 1HB GLU 74 1HB GLU 74 12.120 -4.147 -2.260 574 2HB GLU 74 2HB GLU 74 13.179 -2.792 -2.654 575 1HG GLU 74 1HG GLU 74 15.112 -4.591 -2.226 576 2HG GLU 74 2HG GLU 74 13.819 -5.741 -2.538 577 H GLY 75 H GLY 75 13.870 -1.127 -1.323 578 1HA GLY 75 1HA GLY 75 16.755 -1.155 -0.642 579 2HA GLY 75 2HA GLY 75 16.005 -0.277 -1.971 580 H GLU 76 H GLU 76 16.391 1.822 -1.486 581 HA GLU 76 HA GLU 76 16.677 2.918 1.105 582 1HB GLU 76 1HB GLU 76 16.970 5.002 -0.028 583 2HB GLU 76 2HB GLU 76 17.684 3.754 -1.043 584 1HG GLU 76 1HG GLU 76 15.505 3.742 -2.381 585 2HG GLU 76 2HG GLU 76 14.997 5.156 -1.443 586 H GLY 77 H GLY 77 15.428 5.033 1.735 587 1HA GLY 77 1HA GLY 77 12.577 4.285 1.829 588 2HA GLY 77 2HA GLY 77 13.437 5.256 3.031 589 H PHE 78 H PHE 78 10.972 6.056 2.004 590 HA PHE 78 HA PHE 78 11.828 8.611 0.762 591 1HB PHE 78 1HB PHE 78 9.468 6.919 -0.085 592 2HB PHE 78 2HB PHE 78 9.398 8.650 -0.233 593 HD1 PHE 78 HD1 PHE 78 10.261 9.775 -2.060 594 HD2 PHE 78 HD2 PHE 78 11.678 5.798 -1.205 595 HE1 PHE 78 HE1 PHE 78 11.450 9.718 -4.244 596 HE2 PHE 78 HE2 PHE 78 12.882 5.753 -3.381 597 HZ PHE 78 HZ PHE 78 12.746 7.703 -4.911 598 HA PRO 79 HA PRO 79 9.990 10.424 4.259 599 1HB PRO 79 1HB PRO 79 9.044 12.817 3.269 600 2HB PRO 79 2HB PRO 79 10.790 12.429 3.439 601 1HG PRO 79 1HG PRO 79 9.035 12.117 0.969 602 2HG PRO 79 2HG PRO 79 10.624 12.960 1.101 603 1HD PRO 79 1HD PRO 79 10.466 10.471 0.198 604 2HD PRO 79 2HD PRO 79 11.760 10.900 1.356 605 H SER 80 H SER 80 7.854 9.575 1.632 606 HA SER 80 HA SER 80 5.501 9.760 3.430 607 1HB SER 80 1HB SER 80 5.386 10.412 0.527 608 2HB SER 80 2HB SER 80 4.172 10.713 1.722 609 HG SER 80 HG SER 80 5.287 12.333 2.600 610 H ILE 81 H ILE 81 4.027 8.068 3.012 611 HA ILE 81 HA ILE 81 5.099 5.631 1.822 612 HB ILE 81 HB ILE 81 2.322 6.369 2.820 613 1HG1 ILE 81 1HG1 ILE 81 4.266 4.304 3.928 614 2HG1 ILE 81 2HG1 ILE 81 4.382 5.992 4.396 615 1HG2 ILE 81 1HG2 ILE 81 1.740 3.973 2.596 616 2HG2 ILE 81 2HG2 ILE 81 2.058 4.708 1.020 617 3HG2 ILE 81 3HG2 ILE 81 3.289 3.681 1.769 618 1HD1 ILE 81 1HD1 ILE 81 1.839 4.400 4.821 619 2HD1 ILE 81 2HD1 ILE 81 3.130 4.609 6.017 620 3HD1 ILE 81 3HD1 ILE 81 2.259 6.019 5.436 621 HA PRO 82 HA PRO 82 2.085 6.812 -1.668 622 1HB PRO 82 1HB PRO 82 1.635 9.498 -2.237 623 2HB PRO 82 2HB PRO 82 0.568 8.447 -1.275 624 1HG PRO 82 1HG PRO 82 2.619 10.370 -0.268 625 2HG PRO 82 2HG PRO 82 0.982 10.086 0.374 626 1HD PRO 82 1HD PRO 82 3.031 9.036 1.569 627 2HD PRO 82 2HD PRO 82 1.567 8.087 1.417 628 H LEU 83 H LEU 83 4.823 8.906 -0.927 629 HA LEU 83 HA LEU 83 5.812 9.092 -3.679 630 1HB LEU 83 1HB LEU 83 6.863 9.799 -0.879 631 2HB LEU 83 2HB LEU 83 7.876 9.934 -2.294 632 HG LEU 83 HG LEU 83 6.319 11.473 -3.369 633 1HD1 LEU 83 1HD1 LEU 83 4.619 12.656 -2.326 634 2HD1 LEU 83 2HD1 LEU 83 4.988 12.048 -0.727 635 3HD1 LEU 83 3HD1 LEU 83 4.245 10.998 -1.948 636 1HD2 LEU 83 1HD2 LEU 83 7.051 13.408 -1.985 637 2HD2 LEU 83 2HD2 LEU 83 8.323 12.196 -2.230 638 3HD2 LEU 83 3HD2 LEU 83 7.477 12.267 -0.674 639 H LEU 84 H LEU 84 5.671 6.442 -1.729 640 HA LEU 84 HA LEU 84 8.130 5.384 -3.047 641 1HB LEU 84 1HB LEU 84 7.900 5.273 -0.474 642 2HB LEU 84 2HB LEU 84 6.564 4.133 -0.772 643 HG LEU 84 HG LEU 84 7.961 2.429 -1.483 644 1HD1 LEU 84 1HD1 LEU 84 9.380 3.351 -3.160 645 2HD1 LEU 84 2HD1 LEU 84 10.487 2.802 -1.898 646 3HD1 LEU 84 3HD1 LEU 84 10.081 4.516 -2.040 647 1HD2 LEU 84 1HD2 LEU 84 8.166 3.044 0.926 648 2HD2 LEU 84 2HD2 LEU 84 9.573 4.050 0.526 649 3HD2 LEU 84 3HD2 LEU 84 9.668 2.297 0.337 650 H ILE 85 H ILE 85 4.655 5.109 -2.791 651 HA ILE 85 HA ILE 85 4.319 2.523 -3.801 652 HB ILE 85 HB ILE 85 2.566 4.957 -4.338 653 1HG1 ILE 85 1HG1 ILE 85 2.900 4.701 -2.008 654 2HG1 ILE 85 2HG1 ILE 85 1.273 4.143 -2.369 655 1HG2 ILE 85 1HG2 ILE 85 0.713 3.318 -4.565 656 2HG2 ILE 85 2HG2 ILE 85 1.930 3.123 -5.832 657 3HG2 ILE 85 3HG2 ILE 85 1.893 1.989 -4.478 658 1HD1 ILE 85 1HD1 ILE 85 2.385 2.766 -0.692 659 2HD1 ILE 85 2HD1 ILE 85 2.094 1.800 -2.171 660 3HD1 ILE 85 3HD1 ILE 85 3.721 2.402 -1.777 661 H ASP 86 H ASP 86 4.735 5.550 -5.600 662 HA ASP 86 HA ASP 86 4.179 4.503 -8.186 663 1HB ASP 86 1HB ASP 86 4.200 6.931 -7.368 664 2HB ASP 86 2HB ASP 86 5.935 6.911 -7.481 665 H HIS 87 H HIS 87 7.178 5.055 -6.374 666 HA HIS 87 HA HIS 87 8.897 4.130 -8.455 667 1HB HIS 87 1HB HIS 87 9.473 4.262 -5.482 668 2HB HIS 87 2HB HIS 87 10.669 4.049 -6.744 669 HD1 HIS 87 HD1 HIS 87 11.717 6.248 -7.744 670 HD2 HIS 87 HD2 HIS 87 8.130 6.774 -5.592 671 HE1 HIS 87 HE1 HIS 87 11.292 8.742 -7.644 672 H LEU 88 H LEU 88 6.756 2.286 -6.365 673 HA LEU 88 HA LEU 88 8.266 -0.200 -6.921 674 1HB LEU 88 1HB LEU 88 5.998 0.638 -5.088 675 2HB LEU 88 2HB LEU 88 6.300 -1.056 -5.480 676 HG LEU 88 HG LEU 88 7.467 0.750 -3.586 677 1HD1 LEU 88 1HD1 LEU 88 6.720 -1.572 -3.184 678 2HD1 LEU 88 2HD1 LEU 88 8.422 -1.461 -2.702 679 3HD1 LEU 88 3HD1 LEU 88 7.990 -2.199 -4.260 680 1HD2 LEU 88 1HD2 LEU 88 9.904 0.101 -3.680 681 2HD2 LEU 88 2HD2 LEU 88 9.392 1.296 -4.854 682 3HD2 LEU 88 3HD2 LEU 88 9.666 -0.387 -5.336 683 H LEU 89 H LEU 89 5.322 1.615 -7.695 684 HA LEU 89 HA LEU 89 3.977 -0.583 -8.962 685 1HB LEU 89 1HB LEU 89 3.199 1.809 -7.971 686 2HB LEU 89 2HB LEU 89 3.250 2.247 -9.660 687 HG LEU 89 HG LEU 89 1.902 -0.344 -8.884 688 1HD1 LEU 89 1HD1 LEU 89 -0.178 0.895 -8.300 689 2HD1 LEU 89 2HD1 LEU 89 0.787 2.386 -8.241 690 3HD1 LEU 89 3HD1 LEU 89 1.156 1.048 -7.133 691 1HD2 LEU 89 1HD2 LEU 89 1.134 1.811 -10.842 692 2HD2 LEU 89 2HD2 LEU 89 0.251 0.296 -10.497 693 3HD2 LEU 89 3HD2 LEU 89 1.889 0.226 -11.203 694 H SER 90 H SER 90 5.963 2.148 -10.145 695 HA SER 90 HA SER 90 5.394 1.444 -12.859 696 1HB SER 90 1HB SER 90 6.171 3.769 -11.965 697 2HB SER 90 2HB SER 90 7.803 3.091 -11.937 698 HG SER 90 HG SER 90 7.857 3.638 -13.961 699 H THR 91 H THR 91 7.688 0.391 -10.473 700 HA THR 91 HA THR 91 9.668 -0.551 -12.416 701 HB THR 91 HB THR 91 11.055 -0.657 -10.391 702 HG1 THR 91 HG1 THR 91 9.684 0.378 -8.519 703 1HG2 THR 91 1HG2 THR 91 11.008 1.704 -9.714 704 2HG2 THR 91 2HG2 THR 91 9.387 1.926 -10.333 705 3HG2 THR 91 3HG2 THR 91 10.721 1.602 -11.466 706 H GLN 92 H GLN 92 7.194 -1.673 -10.267 707 HA GLN 92 HA GLN 92 6.282 -3.730 -9.881 708 1HB GLN 92 1HB GLN 92 8.080 -4.907 -12.049 709 2HB GLN 92 2HB GLN 92 6.619 -5.595 -11.381 710 1HG GLN 92 1HG GLN 92 6.625 -2.977 -12.965 711 2HG GLN 92 2HG GLN 92 6.398 -4.572 -13.671 712 1HE2 GLN 92 2HE2 GLN 92 4.947 -2.361 -11.180 713 2HE2 GLN 92 1HE2 GLN 92 3.496 -3.239 -11.001 714 H GLN 93 H GLN 93 8.389 -2.690 -8.396 715 HA GLN 93 HA GLN 93 10.405 -4.635 -7.918 716 1HB GLN 93 1HB GLN 93 9.543 -2.122 -6.626 717 2HB GLN 93 2HB GLN 93 10.283 -3.280 -5.507 718 1HG GLN 93 1HG GLN 93 12.293 -3.432 -6.842 719 2HG GLN 93 2HG GLN 93 11.588 -2.408 -8.097 720 1HE2 GLN 93 2HE2 GLN 93 12.044 -0.274 -7.967 721 2HE2 GLN 93 1HE2 GLN 93 12.504 0.609 -6.532 722 HA PRO 94 HA PRO 94 8.247 -7.482 -5.295 723 1HB PRO 94 1HB PRO 94 10.319 -8.815 -4.164 724 2HB PRO 94 2HB PRO 94 9.831 -8.969 -5.875 725 1HG PRO 94 1HG PRO 94 12.042 -7.235 -4.701 726 2HG PRO 94 2HG PRO 94 12.117 -8.313 -6.133 727 1HD PRO 94 1HD PRO 94 11.627 -5.586 -6.331 728 2HD PRO 94 2HD PRO 94 10.968 -6.785 -7.479 729 H LEU 95 H LEU 95 7.362 -7.181 -3.463 730 HA LEU 95 HA LEU 95 8.155 -5.188 -1.528 731 1HB LEU 95 1HB LEU 95 6.060 -7.355 -1.183 732 2HB LEU 95 2HB LEU 95 6.233 -5.935 -0.187 733 HG LEU 95 HG LEU 95 5.299 -6.109 -3.050 734 1HD1 LEU 95 1HD1 LEU 95 3.721 -6.397 -1.147 735 2HD1 LEU 95 2HD1 LEU 95 3.345 -4.986 -2.155 736 3HD1 LEU 95 3HD1 LEU 95 4.183 -4.771 -0.598 737 1HD2 LEU 95 1HD2 LEU 95 5.182 -3.677 -3.206 738 2HD2 LEU 95 2HD2 LEU 95 6.844 -4.238 -3.136 739 3HD2 LEU 95 3HD2 LEU 95 6.091 -3.538 -1.685 740 H THR 96 H THR 96 8.570 -8.701 -1.584 741 HA THR 96 HA THR 96 10.413 -8.544 0.621 742 HB THR 96 HB THR 96 8.378 -8.751 1.951 743 HG1 THR 96 HG1 THR 96 8.829 -10.741 2.942 744 1HG2 THR 96 1HG2 THR 96 6.932 -10.801 1.696 745 2HG2 THR 96 2HG2 THR 96 7.658 -11.083 0.121 746 3HG2 THR 96 3HG2 THR 96 6.738 -9.586 0.421 747 H LYS 97 H LYS 97 11.680 -10.414 0.709 748 HA LYS 97 HA LYS 97 11.998 -11.899 -1.741 749 1HB LYS 97 1HB LYS 97 13.265 -11.954 1.002 750 2HB LYS 97 2HB LYS 97 13.614 -13.208 -0.173 751 1HG LYS 97 1HG LYS 97 15.329 -11.570 -0.375 752 2HG LYS 97 2HG LYS 97 14.308 -11.455 -1.811 753 1HD LYS 97 1HD LYS 97 13.170 -9.442 -0.732 754 2HD LYS 97 2HD LYS 97 14.371 -9.516 0.552 755 1HE LYS 97 1HE LYS 97 14.797 -9.224 -2.439 756 2HE LYS 97 2HE LYS 97 14.816 -7.882 -1.285 757 1HZ LYS 97 1HZ LYS 97 17.013 -8.367 -1.655 758 2HZ LYS 97 2HZ LYS 97 16.834 -9.997 -1.588 759 3HZ LYS 97 3HZ LYS 97 16.721 -9.107 -0.204 760 H LYS 98 H LYS 98 9.937 -12.260 1.038 761 HA LYS 98 HA LYS 98 9.777 -15.148 0.982 762 1HB LYS 98 1HB LYS 98 8.154 -12.907 2.257 763 2HB LYS 98 2HB LYS 98 7.543 -14.547 2.297 764 1HG LYS 98 1HG LYS 98 10.287 -13.747 3.356 765 2HG LYS 98 2HG LYS 98 8.828 -13.931 4.339 766 1HD LYS 98 1HD LYS 98 9.124 -16.148 4.480 767 2HD LYS 98 2HD LYS 98 9.030 -16.314 2.752 768 1HE LYS 98 1HE LYS 98 11.075 -17.178 2.959 769 2HE LYS 98 2HE LYS 98 11.569 -15.482 2.813 770 1HZ LYS 98 1HZ LYS 98 11.930 -15.406 5.129 771 2HZ LYS 98 2HZ LYS 98 12.480 -16.921 4.715 772 3HZ LYS 98 3HZ LYS 98 11.018 -16.751 5.431 773 H SER 99 H SER 99 8.338 -12.740 -1.079 774 HA SER 99 HA SER 99 6.643 -14.840 -2.267 775 1HB SER 99 1HB SER 99 5.537 -12.391 -0.951 776 2HB SER 99 2HB SER 99 4.654 -13.301 -2.208 777 HG SER 99 HG SER 99 4.778 -15.115 -0.988 778 H GLY 100 H GLY 100 8.500 -11.892 -2.725 779 1HA GLY 100 1HA GLY 100 8.760 -10.535 -4.496 780 2HA GLY 100 2HA GLY 100 8.361 -11.919 -5.510 781 H VAL 101 H VAL 101 6.060 -10.424 -3.151 782 HA VAL 101 HA VAL 101 3.966 -10.006 -4.973 783 HB VAL 101 HB VAL 101 4.682 -8.424 -2.485 784 1HG1 VAL 101 1HG1 VAL 101 1.984 -8.981 -3.758 785 2HG1 VAL 101 2HG1 VAL 101 2.285 -8.188 -2.194 786 3HG1 VAL 101 3HG1 VAL 101 2.840 -7.421 -3.675 787 1HG2 VAL 101 1HG2 VAL 101 3.053 -10.187 -1.411 788 2HG2 VAL 101 2HG2 VAL 101 3.632 -11.220 -2.708 789 3HG2 VAL 101 3HG2 VAL 101 4.785 -10.463 -1.556 790 H VAL 102 H VAL 102 3.569 -8.222 -6.427 791 HA VAL 102 HA VAL 102 5.413 -5.923 -6.134 792 HB VAL 102 HB VAL 102 5.993 -5.807 -8.261 793 1HG1 VAL 102 1HG1 VAL 102 5.586 -8.789 -8.231 794 2HG1 VAL 102 2HG1 VAL 102 6.716 -7.863 -9.225 795 3HG1 VAL 102 3HG1 VAL 102 6.940 -7.891 -7.479 796 1HG2 VAL 102 1HG2 VAL 102 4.714 -6.973 -10.210 797 2HG2 VAL 102 2HG2 VAL 102 3.359 -6.924 -9.066 798 3HG2 VAL 102 3HG2 VAL 102 4.164 -5.441 -9.540 799 H LEU 103 H LEU 103 4.401 -3.918 -7.179 800 HA LEU 103 HA LEU 103 1.551 -3.846 -6.363 801 1HB LEU 103 1HB LEU 103 3.386 -1.582 -7.149 802 2HB LEU 103 2HB LEU 103 1.788 -1.448 -6.445 803 HG LEU 103 HG LEU 103 4.343 -2.374 -5.100 804 1HD1 LEU 103 1HD1 LEU 103 2.332 -0.197 -4.441 805 2HD1 LEU 103 2HD1 LEU 103 3.827 0.072 -5.343 806 3HD1 LEU 103 3HD1 LEU 103 3.896 -0.456 -3.645 807 1HD2 LEU 103 1HD2 LEU 103 2.684 -3.926 -4.263 808 2HD2 LEU 103 2HD2 LEU 103 1.491 -2.626 -4.065 809 3HD2 LEU 103 3HD2 LEU 103 2.918 -2.682 -3.025 810 H HIS 104 H HIS 104 -0.040 -3.663 -7.767 811 HA HIS 104 HA HIS 104 0.614 -2.927 -10.601 812 1HB HIS 104 1HB HIS 104 -1.014 -5.171 -9.483 813 2HB HIS 104 2HB HIS 104 -1.356 -4.555 -11.073 814 HD1 HIS 104 HD1 HIS 104 1.278 -4.568 -12.603 815 HD2 HIS 104 HD2 HIS 104 0.079 -7.458 -9.778 816 HE1 HIS 104 HE1 HIS 104 2.538 -6.691 -13.165 817 H ARG 105 H ARG 105 -2.104 -3.204 -8.064 818 HA ARG 105 HA ARG 105 -3.387 -1.043 -9.585 819 1HB ARG 105 1HB ARG 105 -4.079 -3.420 -10.273 820 2HB ARG 105 2HB ARG 105 -4.869 -3.520 -8.703 821 1HG ARG 105 1HG ARG 105 -6.546 -2.853 -10.205 822 2HG ARG 105 2HG ARG 105 -6.121 -1.365 -9.371 823 1HD ARG 105 1HD ARG 105 -4.560 -0.802 -11.316 824 2HD ARG 105 2HD ARG 105 -5.156 -2.255 -12.125 825 HE ARG 105 HE ARG 105 -7.056 -0.135 -11.261 826 1HH1 ARG 105 2HH1 ARG 105 -5.286 -1.583 -14.073 827 2HH1 ARG 105 1HH1 ARG 105 -6.661 -1.350 -15.118 828 1HH2 ARG 105 2HH2 ARG 105 -8.550 0.582 -12.906 829 2HH2 ARG 105 1HH2 ARG 105 -8.169 0.268 -14.584 830 H ALA 106 H ALA 106 -4.810 0.304 -8.411 831 HA ALA 106 HA ALA 106 -4.589 0.032 -5.438 832 1HB ALA 106 1HB ALA 106 -4.399 2.460 -7.265 833 2HB ALA 106 2HB ALA 106 -4.567 2.531 -5.516 834 3HB ALA 106 3HB ALA 106 -3.132 1.776 -6.263 835 H VAL 107 H VAL 107 -6.564 -0.422 -4.574 836 HA VAL 107 HA VAL 107 -9.036 0.043 -5.926 837 HB VAL 107 HB VAL 107 -8.984 -0.224 -2.929 838 1HG1 VAL 107 1HG1 VAL 107 -10.557 -1.665 -5.115 839 2HG1 VAL 107 2HG1 VAL 107 -10.871 -1.723 -3.377 840 3HG1 VAL 107 3HG1 VAL 107 -11.109 -0.209 -4.241 841 1HG2 VAL 107 1HG2 VAL 107 -7.215 -1.786 -3.391 842 2HG2 VAL 107 2HG2 VAL 107 -8.704 -2.646 -3.046 843 3HG2 VAL 107 3HG2 VAL 107 -8.151 -2.517 -4.731 844 HA PRO 108 HA PRO 108 -9.331 4.297 -4.517 845 1HB PRO 108 1HB PRO 108 -11.534 5.079 -5.868 846 2HB PRO 108 2HB PRO 108 -9.947 4.852 -6.679 847 1HG PRO 108 1HG PRO 108 -12.321 2.952 -6.642 848 2HG PRO 108 2HG PRO 108 -11.185 3.304 -7.982 849 1HD PRO 108 1HD PRO 108 -11.063 1.122 -6.231 850 2HD PRO 108 2HD PRO 108 -9.715 1.718 -7.244 851 H SER 109 H SER 109 -9.803 4.333 -2.465 852 HA SER 109 HA SER 109 -12.376 3.614 -1.278 853 1HB SER 109 1HB SER 109 -10.232 3.855 0.006 854 2HB SER 109 2HB SER 109 -10.259 5.586 -0.325 855 HG SER 109 HG SER 109 -11.195 5.332 1.600 856 H GLY 110 H GLY 110 -10.733 6.578 -2.393 857 1HA GLY 110 1HA GLY 110 -12.203 8.052 -3.950 858 2HA GLY 110 2HA GLY 110 -13.215 8.135 -2.488 859 HA PRO 111 HA PRO 111 -9.493 11.062 -2.105 860 1HB PRO 111 1HB PRO 111 -10.634 13.515 -2.406 861 2HB PRO 111 2HB PRO 111 -10.195 12.493 -3.803 862 1HG PRO 111 1HG PRO 111 -12.915 12.740 -2.473 863 2HG PRO 111 2HG PRO 111 -12.527 12.899 -4.218 864 1HD PRO 111 1HD PRO 111 -13.421 10.550 -3.131 865 2HD PRO 111 2HD PRO 111 -12.212 10.571 -4.449 866 H SER 112 H SER 112 -12.151 10.172 -0.244 867 HA SER 112 HA SER 112 -11.409 12.024 1.966 868 1HB SER 112 1HB SER 112 -13.644 12.379 0.636 869 2HB SER 112 2HB SER 112 -14.203 10.962 1.509 870 HG SER 112 HG SER 112 -13.239 13.409 2.629 871 H SER 113 H SER 113 -9.944 10.450 2.785 872 HA SER 113 HA SER 113 -10.876 7.770 3.380 873 1HB SER 113 1HB SER 113 -8.417 8.677 2.904 874 2HB SER 113 2HB SER 113 -8.411 8.930 4.646 875 HG SER 113 HG SER 113 -8.518 6.602 3.132 876 H GLY 114 H GLY 114 -12.522 7.713 4.804 877 1HA GLY 114 1HA GLY 114 -12.116 8.325 7.587 878 2HA GLY 114 2HA GLY 114 -13.324 9.371 6.811 Start of MODEL 4 1 1H GLY 1 H GLY 1 -16.733 14.412 -21.522 2 1HA GLY 1 1HA GLY 1 -15.041 15.590 -20.112 3 2HA GLY 1 2HA GLY 1 -16.397 15.987 -19.035 4 H SER 2 H SER 2 -16.306 14.696 -17.269 5 HA SER 2 HA SER 2 -15.811 13.042 -15.875 6 1HB SER 2 1HB SER 2 -16.617 11.215 -18.149 7 2HB SER 2 2HB SER 2 -16.533 10.795 -16.426 8 HG SER 2 HG SER 2 -18.712 11.438 -16.974 9 H SER 3 H SER 3 -13.599 13.934 -17.767 10 HA SER 3 HA SER 3 -11.816 11.667 -17.164 11 1HB SER 3 1HB SER 3 -11.691 13.432 -19.630 12 2HB SER 3 2HB SER 3 -10.625 12.060 -19.258 13 HG SER 3 HG SER 3 -12.690 10.789 -19.271 14 H GLY 4 H GLY 4 -9.430 12.538 -17.345 15 1HA GLY 4 1HA GLY 4 -7.991 14.519 -17.160 16 2HA GLY 4 2HA GLY 4 -9.185 15.222 -16.061 17 H SER 5 H SER 5 -8.910 11.849 -15.524 18 HA SER 5 HA SER 5 -7.881 12.148 -12.902 19 1HB SER 5 1HB SER 5 -9.328 10.289 -13.666 20 2HB SER 5 2HB SER 5 -8.009 9.686 -14.676 21 HG SER 5 HG SER 5 -7.675 10.035 -11.876 22 H SER 6 H SER 6 -5.863 12.005 -12.073 23 HA SER 6 HA SER 6 -3.513 11.626 -13.867 24 1HB SER 6 1HB SER 6 -4.102 14.124 -12.205 25 2HB SER 6 2HB SER 6 -2.656 13.809 -13.165 26 HG SER 6 HG SER 6 -5.332 14.142 -14.135 27 H GLY 7 H GLY 7 -1.490 11.488 -12.622 28 1HA GLY 7 1HA GLY 7 -1.738 9.710 -10.435 29 2HA GLY 7 2HA GLY 7 -0.241 10.456 -11.015 30 H GLU 8 H GLU 8 -1.214 9.921 -8.247 31 HA GLU 8 HA GLU 8 -1.429 12.680 -7.111 32 1HB GLU 8 1HB GLU 8 -3.045 10.159 -6.734 33 2HB GLU 8 2HB GLU 8 -3.009 11.384 -5.457 34 1HG GLU 8 1HG GLU 8 -4.025 13.038 -6.750 35 2HG GLU 8 2HG GLU 8 -3.579 12.298 -8.268 36 H VAL 9 H VAL 9 0.891 10.596 -7.361 37 HA VAL 9 HA VAL 9 1.630 9.592 -4.880 38 HB VAL 9 HB VAL 9 3.485 10.883 -6.894 39 1HG1 VAL 9 1HG1 VAL 9 5.066 9.196 -6.265 40 2HG1 VAL 9 2HG1 VAL 9 4.441 9.969 -4.806 41 3HG1 VAL 9 3HG1 VAL 9 3.853 8.363 -5.267 42 1HG2 VAL 9 1HG2 VAL 9 1.937 9.470 -8.258 43 2HG2 VAL 9 2HG2 VAL 9 3.508 8.710 -8.122 44 3HG2 VAL 9 3HG2 VAL 9 2.162 8.120 -7.126 45 H GLN 10 H GLN 10 2.103 12.883 -6.263 46 HA GLN 10 HA GLN 10 3.841 13.673 -4.076 47 1HB GLN 10 1HB GLN 10 2.451 15.373 -6.197 48 2HB GLN 10 2HB GLN 10 3.793 15.899 -5.189 49 1HG GLN 10 1HG GLN 10 3.975 13.593 -7.174 50 2HG GLN 10 2HG GLN 10 4.330 15.264 -7.585 51 1HE2 GLN 10 2HE2 GLN 10 5.919 12.457 -6.934 52 2HE2 GLN 10 1HE2 GLN 10 7.366 13.098 -6.207 53 H LYS 11 H LYS 11 0.487 13.371 -4.324 54 HA LYS 11 HA LYS 11 -0.336 15.604 -2.591 55 1HB LYS 11 1HB LYS 11 -1.736 13.000 -3.407 56 2HB LYS 11 2HB LYS 11 -2.423 14.138 -2.310 57 1HG LYS 11 1HG LYS 11 -2.018 15.905 -4.219 58 2HG LYS 11 2HG LYS 11 -1.908 14.481 -5.272 59 1HD LYS 11 1HD LYS 11 -4.137 13.732 -4.457 60 2HD LYS 11 2HD LYS 11 -4.173 15.092 -3.316 61 1HE LYS 11 1HE LYS 11 -4.030 16.662 -5.294 62 2HE LYS 11 2HE LYS 11 -4.278 15.264 -6.352 63 1HZ LYS 11 1HZ LYS 11 -6.371 14.877 -5.070 64 2HZ LYS 11 2HZ LYS 11 -6.369 16.323 -5.867 65 3HZ LYS 11 3HZ LYS 11 -6.125 16.198 -4.220 66 HA PRO 12 HA PRO 12 0.580 13.755 1.340 67 1HB PRO 12 1HB PRO 12 -1.734 14.165 2.808 68 2HB PRO 12 2HB PRO 12 -0.512 15.409 2.498 69 1HG PRO 12 1HG PRO 12 -3.119 14.938 1.060 70 2HG PRO 12 2HG PRO 12 -2.411 16.500 1.581 71 1HD PRO 12 1HD PRO 12 -2.223 15.641 -0.972 72 2HD PRO 12 2HD PRO 12 -0.861 16.474 -0.214 73 H LEU 13 H LEU 13 -0.113 12.023 2.802 74 HA LEU 13 HA LEU 13 -1.229 9.750 1.508 75 1HB LEU 13 1HB LEU 13 0.370 9.811 3.382 76 2HB LEU 13 2HB LEU 13 -0.919 10.297 4.490 77 HG LEU 13 HG LEU 13 -1.224 7.754 2.830 78 1HD1 LEU 13 1HD1 LEU 13 1.030 7.778 3.985 79 2HD1 LEU 13 2HD1 LEU 13 -0.056 6.464 4.492 80 3HD1 LEU 13 3HD1 LEU 13 0.183 7.891 5.522 81 1HD2 LEU 13 1HD2 LEU 13 -2.138 8.496 5.651 82 2HD2 LEU 13 2HD2 LEU 13 -2.404 6.941 4.846 83 3HD2 LEU 13 3HD2 LEU 13 -3.174 8.399 4.223 84 H HIS 14 H HIS 14 -2.789 12.327 3.430 85 HA HIS 14 HA HIS 14 -5.116 10.705 3.797 86 1HB HIS 14 1HB HIS 14 -6.142 12.692 4.822 87 2HB HIS 14 2HB HIS 14 -4.566 12.303 5.457 88 HD1 HIS 14 HD1 HIS 14 -6.339 15.065 3.443 89 HD2 HIS 14 HD2 HIS 14 -2.662 14.100 5.266 90 HE1 HIS 14 HE1 HIS 14 -4.922 17.164 3.351 91 H GLU 15 H GLU 15 -4.188 11.998 0.916 92 HA GLU 15 HA GLU 15 -7.000 12.177 -0.069 93 1HB GLU 15 1HB GLU 15 -4.604 13.878 -0.646 94 2HB GLU 15 2HB GLU 15 -5.432 13.303 -2.065 95 1HG GLU 15 1HG GLU 15 -7.595 14.119 -0.606 96 2HG GLU 15 2HG GLU 15 -6.341 15.220 -0.016 97 H GLN 16 H GLN 16 -4.748 9.924 0.310 98 HA GLN 16 HA GLN 16 -4.497 9.043 -2.469 99 1HB GLN 16 1HB GLN 16 -3.856 7.625 0.134 100 2HB GLN 16 2HB GLN 16 -3.446 7.039 -1.481 101 1HG GLN 16 1HG GLN 16 -2.488 9.631 -0.209 102 2HG GLN 16 2HG GLN 16 -1.548 8.163 -0.322 103 1HE2 GLN 16 2HE2 GLN 16 -1.225 11.027 -1.410 104 2HE2 GLN 16 1HE2 GLN 16 -0.936 10.790 -3.128 105 H LEU 17 H LEU 17 -5.303 7.147 -3.239 106 HA LEU 17 HA LEU 17 -8.160 6.954 -2.766 107 1HB LEU 17 1HB LEU 17 -8.092 5.655 -4.892 108 2HB LEU 17 2HB LEU 17 -7.691 7.260 -5.040 109 HG LEU 17 HG LEU 17 -5.478 5.169 -4.841 110 1HD1 LEU 17 1HD1 LEU 17 -6.999 4.308 -6.529 111 2HD1 LEU 17 2HD1 LEU 17 -5.514 4.912 -7.279 112 3HD1 LEU 17 3HD1 LEU 17 -6.998 5.881 -7.360 113 1HD2 LEU 17 1HD2 LEU 17 -4.226 6.699 -6.304 114 2HD2 LEU 17 2HD2 LEU 17 -4.717 7.537 -4.833 115 3HD2 LEU 17 3HD2 LEU 17 -5.607 7.806 -6.338 116 H TRP 18 H TRP 18 -5.420 4.737 -3.126 117 HA TRP 18 HA TRP 18 -6.630 2.375 -2.082 118 1HB TRP 18 1HB TRP 18 -4.159 1.770 -1.843 119 2HB TRP 18 2HB TRP 18 -4.766 2.109 -3.424 120 HD1 TRP 18 HD1 TRP 18 -3.408 3.874 -4.819 121 HE1 TRP 18 HE1 TRP 18 -1.488 5.448 -4.358 122 HE3 TRP 18 HE3 TRP 18 -3.224 3.529 0.317 123 HZ2 TRP 18 HZ2 TRP 18 0.044 6.273 -2.181 124 HZ3 TRP 18 HZ3 TRP 18 -1.544 4.851 1.577 125 HH2 TRP 18 HH2 TRP 18 0.154 6.176 0.359 126 H TYR 19 H TYR 19 -5.847 5.313 -0.476 127 HA TYR 19 HA TYR 19 -5.189 3.922 2.050 128 1HB TYR 19 1HB TYR 19 -4.175 6.067 1.676 129 2HB TYR 19 2HB TYR 19 -5.746 6.844 1.508 130 HD1 TYR 19 HD1 TYR 19 -6.060 8.255 3.371 131 HD2 TYR 19 HD2 TYR 19 -4.376 4.317 4.001 132 HE1 TYR 19 HE1 TYR 19 -6.138 8.605 5.812 133 HE2 TYR 19 HE2 TYR 19 -4.484 4.658 6.432 134 HH TYR 19 HH TYR 19 -5.649 7.703 7.888 135 H HIS 20 H HIS 20 -6.860 2.636 2.711 136 HA HIS 20 HA HIS 20 -9.655 3.586 2.608 137 1HB HIS 20 1HB HIS 20 -8.400 0.899 3.113 138 2HB HIS 20 2HB HIS 20 -10.071 1.263 3.540 139 HD1 HIS 20 HD1 HIS 20 -11.831 0.874 1.818 140 HD2 HIS 20 HD2 HIS 20 -7.968 1.415 0.230 141 HE1 HIS 20 HE1 HIS 20 -12.011 0.493 -0.713 142 H GLY 21 H GLY 21 -7.284 4.390 4.726 143 1HA GLY 21 1HA GLY 21 -7.483 5.369 6.776 144 2HA GLY 21 2HA GLY 21 -9.163 4.844 6.857 145 H ALA 22 H ALA 22 -9.625 3.039 7.976 146 HA ALA 22 HA ALA 22 -7.593 1.153 9.023 147 1HB ALA 22 1HB ALA 22 -9.946 2.424 10.508 148 2HB ALA 22 2HB ALA 22 -8.854 1.179 11.142 149 3HB ALA 22 3HB ALA 22 -8.245 2.809 10.782 150 H ILE 23 H ILE 23 -8.225 -0.937 8.406 151 HA ILE 23 HA ILE 23 -11.076 -1.554 8.329 152 HB ILE 23 HB ILE 23 -11.338 -1.641 6.139 153 1HG1 ILE 23 1HG1 ILE 23 -8.760 -3.213 5.807 154 2HG1 ILE 23 2HG1 ILE 23 -10.376 -3.857 6.131 155 1HG2 ILE 23 1HG2 ILE 23 -9.805 -0.599 4.554 156 2HG2 ILE 23 2HG2 ILE 23 -10.055 0.389 5.969 157 3HG2 ILE 23 3HG2 ILE 23 -8.544 -0.535 5.789 158 1HD1 ILE 23 1HD1 ILE 23 -9.487 -2.491 3.586 159 2HD1 ILE 23 2HD1 ILE 23 -9.970 -4.175 3.830 160 3HD1 ILE 23 3HD1 ILE 23 -11.177 -2.889 3.991 161 HA PRO 24 HA PRO 24 -9.234 -5.295 10.018 162 1HB PRO 24 1HB PRO 24 -11.274 -7.096 9.706 163 2HB PRO 24 2HB PRO 24 -11.364 -5.737 10.891 164 1HG PRO 24 1HG PRO 24 -12.498 -5.953 8.120 165 2HG PRO 24 2HG PRO 24 -13.324 -5.349 9.588 166 1HD PRO 24 1HD PRO 24 -12.190 -3.667 7.720 167 2HD PRO 24 2HD PRO 24 -12.212 -3.286 9.464 168 H ARG 25 H ARG 25 -8.294 -7.307 9.364 169 HA ARG 25 HA ARG 25 -7.523 -7.511 6.669 170 1HB ARG 25 1HB ARG 25 -6.665 -9.712 7.157 171 2HB ARG 25 2HB ARG 25 -6.299 -8.637 8.501 172 1HG ARG 25 1HG ARG 25 -7.959 -9.620 9.907 173 2HG ARG 25 2HG ARG 25 -8.764 -10.417 8.558 174 1HD ARG 25 1HD ARG 25 -6.001 -11.130 9.532 175 2HD ARG 25 2HD ARG 25 -7.482 -11.995 9.979 176 HE ARG 25 HE ARG 25 -5.927 -12.305 7.592 177 1HH1 ARG 25 2HH1 ARG 25 -9.367 -12.637 8.693 178 2HH1 ARG 25 1HH1 ARG 25 -9.793 -13.433 7.218 179 1HH2 ARG 25 2HH2 ARG 25 -6.644 -13.411 5.744 180 2HH2 ARG 25 1HH2 ARG 25 -8.307 -13.938 5.657 181 H ALA 26 H ALA 26 -10.520 -8.729 8.058 182 HA ALA 26 HA ALA 26 -10.945 -10.732 6.016 183 1HB ALA 26 1HB ALA 26 -12.890 -9.438 7.986 184 2HB ALA 26 2HB ALA 26 -13.164 -10.913 7.034 185 3HB ALA 26 3HB ALA 26 -11.894 -10.891 8.274 186 H GLU 27 H GLU 27 -11.831 -7.297 6.379 187 HA GLU 27 HA GLU 27 -13.748 -7.186 4.245 188 1HB GLU 27 1HB GLU 27 -12.030 -5.240 5.771 189 2HB GLU 27 2HB GLU 27 -12.925 -4.676 4.345 190 1HG GLU 27 1HG GLU 27 -14.147 -6.113 6.728 191 2HG GLU 27 2HG GLU 27 -14.062 -4.352 6.576 192 H VAL 28 H VAL 28 -10.244 -7.024 4.378 193 HA VAL 28 HA VAL 28 -9.521 -5.750 2.075 194 HB VAL 28 HB VAL 28 -8.262 -8.269 3.275 195 1HG1 VAL 28 1HG1 VAL 28 -7.114 -6.247 1.299 196 2HG1 VAL 28 2HG1 VAL 28 -6.203 -7.540 2.112 197 3HG1 VAL 28 3HG1 VAL 28 -7.468 -7.940 0.966 198 1HG2 VAL 28 1HG2 VAL 28 -8.385 -6.385 4.866 199 2HG2 VAL 28 2HG2 VAL 28 -6.719 -6.707 4.379 200 3HG2 VAL 28 3HG2 VAL 28 -7.606 -5.318 3.702 201 H ALA 29 H ALA 29 -10.066 -9.340 2.120 202 HA ALA 29 HA ALA 29 -9.512 -9.501 -0.665 203 1HB ALA 29 1HB ALA 29 -9.646 -11.388 1.204 204 2HB ALA 29 2HB ALA 29 -11.272 -11.561 0.554 205 3HB ALA 29 3HB ALA 29 -9.847 -11.729 -0.542 206 H GLU 30 H GLU 30 -12.343 -8.411 0.839 207 HA GLU 30 HA GLU 30 -14.173 -9.026 -1.369 208 1HB GLU 30 1HB GLU 30 -15.443 -8.920 0.431 209 2HB GLU 30 2HB GLU 30 -14.378 -7.908 1.362 210 1HG GLU 30 1HG GLU 30 -15.142 -5.887 0.322 211 2HG GLU 30 2HG GLU 30 -16.068 -6.793 -0.894 212 H LEU 31 H LEU 31 -12.030 -6.316 -0.270 213 HA LEU 31 HA LEU 31 -12.982 -4.471 -2.289 214 1HB LEU 31 1HB LEU 31 -10.307 -4.583 -0.812 215 2HB LEU 31 2HB LEU 31 -10.943 -3.223 -1.706 216 HG LEU 31 HG LEU 31 -12.228 -4.372 0.837 217 1HD1 LEU 31 1HD1 LEU 31 -11.329 -2.218 1.811 218 2HD1 LEU 31 2HD1 LEU 31 -10.403 -1.977 0.325 219 3HD1 LEU 31 3HD1 LEU 31 -10.081 -3.402 1.335 220 1HD2 LEU 31 1HD2 LEU 31 -13.499 -2.213 0.826 221 2HD2 LEU 31 2HD2 LEU 31 -13.893 -3.193 -0.583 222 3HD2 LEU 31 3HD2 LEU 31 -12.799 -1.805 -0.754 223 H LEU 32 H LEU 32 -10.261 -6.691 -1.843 224 HA LEU 32 HA LEU 32 -9.093 -6.001 -4.410 225 1HB LEU 32 1HB LEU 32 -8.226 -8.342 -2.647 226 2HB LEU 32 2HB LEU 32 -7.293 -7.424 -3.808 227 HG LEU 32 HG LEU 32 -8.167 -6.567 -1.050 228 1HD1 LEU 32 1HD1 LEU 32 -5.436 -6.848 -2.231 229 2HD1 LEU 32 2HD1 LEU 32 -6.197 -7.954 -1.070 230 3HD1 LEU 32 3HD1 LEU 32 -5.793 -6.284 -0.605 231 1HD2 LEU 32 1HD2 LEU 32 -6.752 -4.816 -3.060 232 2HD2 LEU 32 2HD2 LEU 32 -7.178 -4.397 -1.410 233 3HD2 LEU 32 3HD2 LEU 32 -8.461 -4.684 -2.538 234 H VAL 33 H VAL 33 -9.212 -7.192 -6.301 235 HA VAL 33 HA VAL 33 -10.758 -9.745 -6.215 236 HB VAL 33 HB VAL 33 -10.714 -7.792 -8.559 237 1HG1 VAL 33 1HG1 VAL 33 -12.691 -9.939 -7.704 238 2HG1 VAL 33 2HG1 VAL 33 -12.871 -8.892 -9.129 239 3HG1 VAL 33 3HG1 VAL 33 -11.539 -10.046 -9.053 240 1HG2 VAL 33 1HG2 VAL 33 -11.611 -6.441 -6.740 241 2HG2 VAL 33 2HG2 VAL 33 -12.894 -6.880 -7.870 242 3HG2 VAL 33 3HG2 VAL 33 -12.756 -7.725 -6.315 243 H HIS 34 H HIS 34 -8.161 -7.901 -7.879 244 HA HIS 34 HA HIS 34 -7.371 -10.487 -9.143 245 1HB HIS 34 1HB HIS 34 -6.629 -7.710 -9.990 246 2HB HIS 34 2HB HIS 34 -6.475 -9.197 -10.925 247 HD1 HIS 34 HD1 HIS 34 -8.424 -6.329 -11.232 248 HD2 HIS 34 HD2 HIS 34 -9.455 -10.364 -10.626 249 HE1 HIS 34 HE1 HIS 34 -10.827 -6.612 -12.087 250 H SER 35 H SER 35 -5.117 -11.014 -9.306 251 HA SER 35 HA SER 35 -3.582 -10.444 -7.010 252 1HB SER 35 1HB SER 35 -1.725 -11.373 -8.658 253 2HB SER 35 2HB SER 35 -3.010 -12.432 -8.062 254 HG SER 35 HG SER 35 -2.499 -12.363 -10.418 255 H GLY 36 H GLY 36 -2.570 -8.601 -6.514 256 1HA GLY 36 1HA GLY 36 -0.863 -6.946 -7.234 257 2HA GLY 36 2HA GLY 36 -1.874 -6.664 -8.683 258 H ASP 37 H ASP 37 -4.362 -6.956 -6.946 259 HA ASP 37 HA ASP 37 -4.906 -4.203 -6.510 260 1HB ASP 37 1HB ASP 37 -6.197 -6.791 -5.605 261 2HB ASP 37 2HB ASP 37 -6.838 -5.224 -5.122 262 H PHE 38 H PHE 38 -4.362 -2.916 -4.794 263 HA PHE 38 HA PHE 38 -3.691 -4.154 -2.186 264 1HB PHE 38 1HB PHE 38 -1.688 -2.772 -2.015 265 2HB PHE 38 2HB PHE 38 -1.562 -3.799 -3.432 266 HD1 PHE 38 HD1 PHE 38 -0.708 -2.893 -5.384 267 HD2 PHE 38 HD2 PHE 38 -2.702 -0.286 -2.569 268 HE1 PHE 38 HE1 PHE 38 -0.206 -0.922 -6.806 269 HE2 PHE 38 HE2 PHE 38 -2.053 1.649 -3.894 270 HZ PHE 38 HZ PHE 38 -0.894 1.376 -6.007 271 H LEU 39 H LEU 39 -3.725 -2.663 -0.370 272 HA LEU 39 HA LEU 39 -4.787 -0.008 -0.842 273 1HB LEU 39 1HB LEU 39 -6.563 -0.259 0.721 274 2HB LEU 39 2HB LEU 39 -6.746 -1.496 -0.489 275 HG LEU 39 HG LEU 39 -5.121 -2.586 1.679 276 1HD1 LEU 39 1HD1 LEU 39 -6.077 -0.812 3.009 277 2HD1 LEU 39 2HD1 LEU 39 -6.658 -2.417 3.515 278 3HD1 LEU 39 3HD1 LEU 39 -7.718 -1.340 2.564 279 1HD2 LEU 39 1HD2 LEU 39 -7.187 -4.057 1.976 280 2HD2 LEU 39 2HD2 LEU 39 -6.291 -4.122 0.457 281 3HD2 LEU 39 3HD2 LEU 39 -7.838 -3.223 0.557 282 H VAL 40 H VAL 40 -4.575 1.192 1.380 283 HA VAL 40 HA VAL 40 -2.556 -0.021 3.185 284 HB VAL 40 HB VAL 40 -2.814 2.945 2.523 285 1HG1 VAL 40 1HG1 VAL 40 -0.890 3.213 4.095 286 2HG1 VAL 40 2HG1 VAL 40 -2.349 2.661 4.906 287 3HG1 VAL 40 3HG1 VAL 40 -1.054 1.496 4.546 288 1HG2 VAL 40 1HG2 VAL 40 -0.576 0.933 2.013 289 2HG2 VAL 40 2HG2 VAL 40 -1.515 1.868 0.809 290 3HG2 VAL 40 3HG2 VAL 40 -0.380 2.690 1.867 291 H ARG 41 H ARG 41 -3.233 -0.050 5.251 292 HA ARG 41 HA ARG 41 -5.738 1.314 6.003 293 1HB ARG 41 1HB ARG 41 -6.565 -0.786 7.024 294 2HB ARG 41 2HB ARG 41 -6.350 -0.957 5.275 295 1HG ARG 41 1HG ARG 41 -4.086 -2.007 5.763 296 2HG ARG 41 2HG ARG 41 -4.529 -2.034 7.469 297 1HD ARG 41 1HD ARG 41 -6.543 -3.226 5.603 298 2HD ARG 41 2HD ARG 41 -4.978 -4.019 5.610 299 HE ARG 41 HE ARG 41 -6.684 -3.542 8.012 300 1HH1 ARG 41 2HH1 ARG 41 -4.653 -5.858 6.207 301 2HH1 ARG 41 1HH1 ARG 41 -4.456 -6.892 7.594 302 1HH2 ARG 41 2HH2 ARG 41 -6.183 -4.734 9.820 303 2HH2 ARG 41 1HH2 ARG 41 -5.328 -6.246 9.707 304 H GLU 42 H GLU 42 -5.882 1.270 8.417 305 HA GLU 42 HA GLU 42 -3.282 1.494 9.760 306 1HB GLU 42 1HB GLU 42 -5.003 3.204 9.809 307 2HB GLU 42 2HB GLU 42 -6.163 2.141 10.541 308 1HG GLU 42 1HG GLU 42 -3.511 2.515 11.969 309 2HG GLU 42 2HG GLU 42 -4.485 3.954 11.760 310 H SER 43 H SER 43 -3.176 0.614 12.030 311 HA SER 43 HA SER 43 -3.583 -2.220 12.266 312 1HB SER 43 1HB SER 43 -1.892 -0.559 13.392 313 2HB SER 43 2HB SER 43 -3.225 -0.187 14.495 314 HG SER 43 HG SER 43 -1.538 -2.310 14.319 315 H GLN 44 H GLN 44 -4.599 -2.531 14.746 316 HA GLN 44 HA GLN 44 -7.480 -2.024 14.345 317 1HB GLN 44 1HB GLN 44 -7.848 -3.593 16.208 318 2HB GLN 44 2HB GLN 44 -7.067 -4.307 14.826 319 1HG GLN 44 1HG GLN 44 -5.372 -3.322 17.140 320 2HG GLN 44 2HG GLN 44 -6.268 -4.829 17.282 321 1HE2 GLN 44 2HE2 GLN 44 -3.922 -5.515 17.588 322 2HE2 GLN 44 1HE2 GLN 44 -3.065 -6.079 16.154 323 H GLY 45 H GLY 45 -5.448 0.137 15.138 324 1HA GLY 45 1HA GLY 45 -6.474 2.017 16.296 325 2HA GLY 45 2HA GLY 45 -6.689 0.979 17.704 326 H LYS 46 H LYS 46 -3.991 1.712 15.439 327 HA LYS 46 HA LYS 46 -2.278 2.642 17.672 328 1HB LYS 46 1HB LYS 46 -1.371 0.570 15.633 329 2HB LYS 46 2HB LYS 46 -0.332 1.312 16.838 330 1HG LYS 46 1HG LYS 46 -2.710 -0.472 17.477 331 2HG LYS 46 2HG LYS 46 -1.035 -1.005 17.357 332 1HD LYS 46 1HD LYS 46 -0.421 -0.171 19.380 333 2HD LYS 46 2HD LYS 46 -1.415 1.258 19.211 334 1HE LYS 46 1HE LYS 46 -2.334 -0.010 21.031 335 2HE LYS 46 2HE LYS 46 -3.468 -0.102 19.680 336 1HZ LYS 46 1HZ LYS 46 -2.506 -2.290 19.157 337 2HZ LYS 46 2HZ LYS 46 -3.215 -2.244 20.639 338 3HZ LYS 46 3HZ LYS 46 -1.572 -2.192 20.524 339 H GLN 47 H GLN 47 -0.060 3.453 16.464 340 HA GLN 47 HA GLN 47 -0.937 5.188 14.242 341 1HB GLN 47 1HB GLN 47 1.705 5.186 15.744 342 2HB GLN 47 2HB GLN 47 1.074 6.443 14.685 343 1HG GLN 47 1HG GLN 47 -0.690 6.974 16.323 344 2HG GLN 47 2HG GLN 47 -0.054 5.722 17.411 345 1HE2 GLN 47 2HE2 GLN 47 0.165 9.067 16.676 346 2HE2 GLN 47 1HE2 GLN 47 1.733 9.328 17.417 347 H GLU 48 H GLU 48 -0.602 2.249 13.811 348 HA GLU 48 HA GLU 48 1.852 2.091 12.198 349 1HB GLU 48 1HB GLU 48 2.051 0.509 13.898 350 2HB GLU 48 2HB GLU 48 0.304 0.312 14.071 351 1HG GLU 48 1HG GLU 48 0.348 -0.954 11.853 352 2HG GLU 48 2HG GLU 48 2.109 -0.910 12.005 353 H TYR 49 H TYR 49 1.493 1.631 10.080 354 HA TYR 49 HA TYR 49 -1.306 1.077 9.227 355 1HB TYR 49 1HB TYR 49 1.008 2.217 7.639 356 2HB TYR 49 2HB TYR 49 -0.542 1.727 6.958 357 HD1 TYR 49 HD1 TYR 49 -2.661 2.837 8.302 358 HD2 TYR 49 HD2 TYR 49 1.267 4.527 7.814 359 HE1 TYR 49 HE1 TYR 49 -3.598 5.095 8.698 360 HE2 TYR 49 HE2 TYR 49 0.305 6.798 7.918 361 HH TYR 49 HH TYR 49 -1.657 8.065 8.062 362 H VAL 50 H VAL 50 -1.576 -0.493 7.634 363 HA VAL 50 HA VAL 50 0.375 -2.710 7.514 364 HB VAL 50 HB VAL 50 -2.649 -2.762 7.803 365 1HG1 VAL 50 1HG1 VAL 50 -2.260 -5.280 8.127 366 2HG1 VAL 50 2HG1 VAL 50 -2.126 -4.634 6.497 367 3HG1 VAL 50 3HG1 VAL 50 -0.649 -5.002 7.421 368 1HG2 VAL 50 1HG2 VAL 50 -2.557 -3.450 9.969 369 2HG2 VAL 50 2HG2 VAL 50 -0.927 -4.107 9.815 370 3HG2 VAL 50 3HG2 VAL 50 -1.168 -2.355 9.966 371 H LEU 51 H LEU 51 0.619 -3.489 5.492 372 HA LEU 51 HA LEU 51 -0.805 -2.229 3.200 373 1HB LEU 51 1HB LEU 51 1.808 -2.746 3.309 374 2HB LEU 51 2HB LEU 51 1.323 -4.409 3.136 375 HG LEU 51 HG LEU 51 -0.016 -3.633 1.038 376 1HD1 LEU 51 1HD1 LEU 51 1.839 -1.226 1.430 377 2HD1 LEU 51 2HD1 LEU 51 0.059 -1.200 1.484 378 3HD1 LEU 51 3HD1 LEU 51 0.907 -1.585 -0.019 379 1HD2 LEU 51 1HD2 LEU 51 2.998 -3.326 0.947 380 2HD2 LEU 51 2HD2 LEU 51 1.919 -3.733 -0.405 381 3HD2 LEU 51 3HD2 LEU 51 2.131 -4.885 0.931 382 H SER 52 H SER 52 -2.226 -3.581 1.945 383 HA SER 52 HA SER 52 -2.109 -6.414 2.508 384 1HB SER 52 1HB SER 52 -4.786 -5.008 2.772 385 2HB SER 52 2HB SER 52 -4.456 -6.761 2.772 386 HG SER 52 HG SER 52 -2.810 -5.702 4.491 387 H VAL 53 H VAL 53 -1.763 -7.280 0.596 388 HA VAL 53 HA VAL 53 -2.994 -6.128 -1.804 389 HB VAL 53 HB VAL 53 -0.856 -5.161 -1.831 390 1HG1 VAL 53 1HG1 VAL 53 0.316 -7.799 -0.976 391 2HG1 VAL 53 2HG1 VAL 53 1.258 -6.441 -1.634 392 3HG1 VAL 53 3HG1 VAL 53 0.353 -6.210 -0.151 393 1HG2 VAL 53 1HG2 VAL 53 -1.467 -6.214 -4.010 394 2HG2 VAL 53 2HG2 VAL 53 0.278 -6.094 -3.775 395 3HG2 VAL 53 3HG2 VAL 53 -0.538 -7.654 -3.557 396 H LEU 54 H LEU 54 -3.712 -7.627 -3.234 397 HA LEU 54 HA LEU 54 -3.990 -10.364 -2.247 398 1HB LEU 54 1HB LEU 54 -5.801 -8.902 -3.183 399 2HB LEU 54 2HB LEU 54 -5.037 -8.994 -4.755 400 HG LEU 54 HG LEU 54 -5.611 -11.411 -4.832 401 1HD1 LEU 54 1HD1 LEU 54 -7.037 -12.410 -3.090 402 2HD1 LEU 54 2HD1 LEU 54 -6.717 -11.001 -2.057 403 3HD1 LEU 54 3HD1 LEU 54 -5.384 -12.082 -2.561 404 1HD2 LEU 54 1HD2 LEU 54 -7.187 -9.564 -5.475 405 2HD2 LEU 54 2HD2 LEU 54 -8.084 -10.009 -3.996 406 3HD2 LEU 54 3HD2 LEU 54 -7.820 -11.193 -5.272 407 H TRP 55 H TRP 55 -2.456 -11.897 -2.738 408 HA TRP 55 HA TRP 55 -1.229 -11.800 -5.432 409 1HB TRP 55 1HB TRP 55 0.257 -10.864 -3.451 410 2HB TRP 55 2HB TRP 55 0.408 -12.552 -2.990 411 HD1 TRP 55 HD1 TRP 55 2.538 -13.615 -4.045 412 HE1 TRP 55 HE1 TRP 55 4.010 -13.185 -6.102 413 HE3 TRP 55 HE3 TRP 55 -0.126 -9.778 -6.127 414 HZ2 TRP 55 HZ2 TRP 55 4.079 -11.325 -8.316 415 HZ3 TRP 55 HZ3 TRP 55 0.751 -8.599 -8.126 416 HH2 TRP 55 HH2 TRP 55 2.857 -9.351 -9.227 417 H ASP 56 H ASP 56 -1.196 -13.894 -6.317 418 HA ASP 56 HA ASP 56 -1.631 -16.100 -6.534 419 1HB ASP 56 1HB ASP 56 0.376 -16.008 -4.987 420 2HB ASP 56 2HB ASP 56 -0.712 -16.299 -3.640 421 H GLY 57 H GLY 57 -3.748 -14.322 -5.109 422 1HA GLY 57 1HA GLY 57 -6.038 -14.661 -4.659 423 2HA GLY 57 2HA GLY 57 -5.804 -16.410 -4.669 424 H LEU 58 H LEU 58 -3.716 -14.240 -2.774 425 HA LEU 58 HA LEU 58 -5.184 -14.849 -0.300 426 1HB LEU 58 1HB LEU 58 -3.409 -16.512 -0.670 427 2HB LEU 58 2HB LEU 58 -2.191 -15.242 -0.704 428 HG LEU 58 HG LEU 58 -4.059 -15.651 1.672 429 1HD1 LEU 58 1HD1 LEU 58 -2.254 -17.057 2.672 430 2HD1 LEU 58 2HD1 LEU 58 -1.410 -17.045 1.095 431 3HD1 LEU 58 3HD1 LEU 58 -2.996 -17.793 1.252 432 1HD2 LEU 58 1HD2 LEU 58 -1.964 -14.735 2.885 433 2HD2 LEU 58 2HD2 LEU 58 -2.961 -13.628 1.969 434 3HD2 LEU 58 3HD2 LEU 58 -1.438 -14.197 1.267 435 HA PRO 59 HA PRO 59 -4.177 -10.367 -0.263 436 1HB PRO 59 1HB PRO 59 -5.680 -9.702 1.891 437 2HB PRO 59 2HB PRO 59 -6.395 -9.989 0.263 438 1HG PRO 59 1HG PRO 59 -6.238 -11.888 2.602 439 2HG PRO 59 2HG PRO 59 -7.623 -11.552 1.529 440 1HD PRO 59 1HD PRO 59 -5.962 -13.698 1.249 441 2HD PRO 59 2HD PRO 59 -6.785 -12.928 -0.142 442 H ARG 60 H ARG 60 -1.961 -10.659 0.219 443 HA ARG 60 HA ARG 60 -1.017 -11.762 2.683 444 1HB ARG 60 1HB ARG 60 0.187 -9.745 0.726 445 2HB ARG 60 2HB ARG 60 1.082 -10.499 2.047 446 1HG ARG 60 1HG ARG 60 -0.258 -12.202 -0.091 447 2HG ARG 60 2HG ARG 60 1.321 -11.478 -0.351 448 1HD ARG 60 1HD ARG 60 2.239 -12.621 1.619 449 2HD ARG 60 2HD ARG 60 0.639 -13.249 2.007 450 HE ARG 60 HE ARG 60 2.004 -13.903 -0.575 451 1HH1 ARG 60 2HH1 ARG 60 0.749 -15.071 2.537 452 2HH1 ARG 60 1HH1 ARG 60 0.507 -16.689 2.033 453 1HH2 ARG 60 2HH2 ARG 60 1.633 -16.075 -1.338 454 2HH2 ARG 60 1HH2 ARG 60 0.758 -17.179 -0.394 455 H HIS 61 H HIS 61 0.087 -10.451 4.377 456 HA HIS 61 HA HIS 61 -0.915 -7.720 4.662 457 1HB HIS 61 1HB HIS 61 -1.652 -8.169 7.014 458 2HB HIS 61 2HB HIS 61 -2.648 -9.020 5.835 459 HD1 HIS 61 HD1 HIS 61 -0.254 -9.651 8.676 460 HD2 HIS 61 HD2 HIS 61 -2.256 -11.776 5.646 461 HE1 HIS 61 HE1 HIS 61 0.049 -12.142 9.209 462 H PHE 62 H PHE 62 0.961 -6.798 4.472 463 HA PHE 62 HA PHE 62 3.182 -7.721 6.253 464 1HB PHE 62 1HB PHE 62 3.482 -6.011 3.783 465 2HB PHE 62 2HB PHE 62 4.730 -6.814 4.702 466 HD1 PHE 62 HD1 PHE 62 2.639 -6.967 1.835 467 HD2 PHE 62 HD2 PHE 62 4.706 -9.476 4.633 468 HE1 PHE 62 HE1 PHE 62 2.625 -8.799 0.167 469 HE2 PHE 62 HE2 PHE 62 4.775 -11.314 2.908 470 HZ PHE 62 HZ PHE 62 3.759 -10.979 0.703 471 H ILE 63 H ILE 63 3.829 -6.132 7.732 472 HA ILE 63 HA ILE 63 2.076 -3.857 8.045 473 HB ILE 63 HB ILE 63 4.506 -4.969 9.406 474 1HG1 ILE 63 1HG1 ILE 63 2.068 -5.628 9.806 475 2HG1 ILE 63 2HG1 ILE 63 3.021 -5.201 11.210 476 1HG2 ILE 63 1HG2 ILE 63 4.507 -3.102 11.081 477 2HG2 ILE 63 2HG2 ILE 63 5.215 -2.697 9.513 478 3HG2 ILE 63 3HG2 ILE 63 3.586 -2.126 9.933 479 1HD1 ILE 63 1HD1 ILE 63 0.731 -4.202 11.300 480 2HD1 ILE 63 2HD1 ILE 63 1.984 -2.985 11.309 481 3HD1 ILE 63 3HD1 ILE 63 1.081 -3.259 9.836 482 H ILE 64 H ILE 64 2.441 -1.662 7.649 483 HA ILE 64 HA ILE 64 4.066 -1.113 5.307 484 HB ILE 64 HB ILE 64 2.715 0.750 7.271 485 1HG1 ILE 64 1HG1 ILE 64 1.225 -0.678 5.886 486 2HG1 ILE 64 2HG1 ILE 64 1.012 1.031 5.631 487 1HG2 ILE 64 1HG2 ILE 64 4.170 1.416 4.686 488 2HG2 ILE 64 2HG2 ILE 64 2.968 2.472 5.447 489 3HG2 ILE 64 3HG2 ILE 64 4.449 2.080 6.313 490 1HD1 ILE 64 1HD1 ILE 64 0.864 -0.298 3.574 491 2HD1 ILE 64 2HD1 ILE 64 2.108 0.948 3.484 492 3HD1 ILE 64 3HD1 ILE 64 2.579 -0.748 3.742 493 H GLN 65 H GLN 65 5.893 -0.236 5.196 494 HA GLN 65 HA GLN 65 8.060 -0.697 6.805 495 1HB GLN 65 1HB GLN 65 7.887 1.711 5.001 496 2HB GLN 65 2HB GLN 65 9.250 0.697 5.318 497 1HG GLN 65 1HG GLN 65 8.553 0.178 3.104 498 2HG GLN 65 2HG GLN 65 7.888 -1.162 4.054 499 1HE2 GLN 65 2HE2 GLN 65 7.160 2.061 2.589 500 2HE2 GLN 65 1HE2 GLN 65 5.529 1.639 2.106 501 H SER 66 H SER 66 9.514 0.857 7.905 502 HA SER 66 HA SER 66 8.923 3.499 8.662 503 1HB SER 66 1HB SER 66 7.103 2.634 10.021 504 2HB SER 66 2HB SER 66 8.104 1.291 10.581 505 HG SER 66 HG SER 66 7.669 3.388 11.870 506 H LEU 67 H LEU 67 10.913 4.213 9.298 507 HA LEU 67 HA LEU 67 12.793 2.286 10.591 508 1HB LEU 67 1HB LEU 67 14.721 3.236 9.369 509 2HB LEU 67 2HB LEU 67 13.732 2.107 8.495 510 HG LEU 67 HG LEU 67 13.128 5.048 8.059 511 1HD1 LEU 67 1HD1 LEU 67 14.950 5.134 6.339 512 2HD1 LEU 67 2HD1 LEU 67 15.583 3.602 6.957 513 3HD1 LEU 67 3HD1 LEU 67 15.578 5.040 7.992 514 1HD2 LEU 67 1HD2 LEU 67 11.844 3.237 6.893 515 2HD2 LEU 67 2HD2 LEU 67 13.382 2.633 6.278 516 3HD2 LEU 67 3HD2 LEU 67 12.779 4.198 5.732 517 H ASP 68 H ASP 68 12.711 5.781 9.602 518 HA ASP 68 HA ASP 68 13.145 6.366 12.503 519 1HB ASP 68 1HB ASP 68 15.294 6.386 10.967 520 2HB ASP 68 2HB ASP 68 14.674 7.964 10.460 521 H ASN 69 H ASN 69 12.763 8.018 9.338 522 HA ASN 69 HA ASN 69 10.239 9.176 10.260 523 1HB ASN 69 1HB ASN 69 12.297 10.731 10.670 524 2HB ASN 69 2HB ASN 69 12.377 10.882 8.919 525 1HD2 ASN 69 2HD2 ASN 69 11.013 12.463 8.011 526 2HD2 ASN 69 1HD2 ASN 69 9.695 13.237 8.879 527 H LEU 70 H LEU 70 11.203 7.033 8.380 528 HA LEU 70 HA LEU 70 10.115 7.998 5.807 529 1HB LEU 70 1HB LEU 70 12.686 6.403 5.968 530 2HB LEU 70 2HB LEU 70 12.001 7.128 4.556 531 HG LEU 70 HG LEU 70 13.010 8.851 6.829 532 1HD1 LEU 70 1HD1 LEU 70 14.583 7.538 4.601 533 2HD1 LEU 70 2HD1 LEU 70 14.832 7.439 6.365 534 3HD1 LEU 70 3HD1 LEU 70 15.159 8.951 5.485 535 1HD2 LEU 70 1HD2 LEU 70 13.186 10.542 5.127 536 2HD2 LEU 70 2HD2 LEU 70 11.568 9.858 5.062 537 3HD2 LEU 70 3HD2 LEU 70 12.779 9.383 3.840 538 H TYR 71 H TYR 71 9.962 6.176 4.300 539 HA TYR 71 HA TYR 71 9.276 3.575 5.629 540 1HB TYR 71 1HB TYR 71 7.870 4.919 3.257 541 2HB TYR 71 2HB TYR 71 7.264 3.577 4.205 542 HD1 TYR 71 HD1 TYR 71 6.480 4.018 6.596 543 HD2 TYR 71 HD2 TYR 71 7.524 7.180 3.892 544 HE1 TYR 71 HE1 TYR 71 5.251 5.590 8.013 545 HE2 TYR 71 HE2 TYR 71 6.271 8.793 5.325 546 HH TYR 71 HH TYR 71 5.156 8.332 8.367 547 H ARG 72 H ARG 72 10.571 1.904 4.673 548 HA ARG 72 HA ARG 72 11.334 2.157 1.814 549 1HB ARG 72 1HB ARG 72 13.538 1.383 2.280 550 2HB ARG 72 2HB ARG 72 13.273 2.788 3.304 551 1HG ARG 72 1HG ARG 72 14.355 1.384 4.753 552 2HG ARG 72 2HG ARG 72 12.662 1.029 5.140 553 1HD ARG 72 1HD ARG 72 13.062 -1.110 4.864 554 2HD ARG 72 2HD ARG 72 13.338 -0.853 3.150 555 HE ARG 72 HE ARG 72 15.341 -1.027 5.316 556 1HH1 ARG 72 2HH1 ARG 72 14.913 -0.521 1.784 557 2HH1 ARG 72 1HH1 ARG 72 16.174 -1.582 1.345 558 1HH2 ARG 72 2HH2 ARG 72 17.307 -2.062 4.692 559 2HH2 ARG 72 1HH2 ARG 72 17.694 -2.222 2.999 560 H LEU 73 H LEU 73 11.188 0.072 0.722 561 HA LEU 73 HA LEU 73 10.744 -2.207 2.570 562 1HB LEU 73 1HB LEU 73 8.664 -1.349 1.419 563 2HB LEU 73 2HB LEU 73 9.281 -2.016 -0.094 564 HG LEU 73 HG LEU 73 9.236 -4.213 0.562 565 1HD1 LEU 73 1HD1 LEU 73 10.086 -4.197 2.925 566 2HD1 LEU 73 2HD1 LEU 73 8.533 -4.963 2.883 567 3HD1 LEU 73 3HD1 LEU 73 8.647 -3.292 3.454 568 1HD2 LEU 73 1HD2 LEU 73 6.787 -2.935 1.743 569 2HD2 LEU 73 2HD2 LEU 73 6.984 -4.538 1.002 570 3HD2 LEU 73 3HD2 LEU 73 7.209 -3.112 -0.009 571 H GLU 74 H GLU 74 12.023 -1.177 -0.586 572 HA GLU 74 HA GLU 74 13.541 -3.734 -0.575 573 1HB GLU 74 1HB GLU 74 11.806 -3.751 -2.306 574 2HB GLU 74 2HB GLU 74 12.367 -2.240 -2.944 575 1HG GLU 74 1HG GLU 74 13.119 -3.987 -4.367 576 2HG GLU 74 2HG GLU 74 14.523 -3.280 -3.593 577 H GLY 75 H GLY 75 13.517 -0.691 -2.410 578 1HA GLY 75 1HA GLY 75 16.368 -0.183 -2.178 579 2HA GLY 75 2HA GLY 75 15.093 0.706 -3.040 580 H GLU 76 H GLU 76 16.187 2.637 -2.093 581 HA GLU 76 HA GLU 76 16.354 3.049 0.716 582 1HB GLU 76 1HB GLU 76 17.056 5.277 0.165 583 2HB GLU 76 2HB GLU 76 17.732 4.161 -1.014 584 1HG GLU 76 1HG GLU 76 15.656 4.808 -2.497 585 2HG GLU 76 2HG GLU 76 15.452 6.146 -1.368 586 H GLY 77 H GLY 77 15.315 4.866 1.923 587 1HA GLY 77 1HA GLY 77 12.460 4.418 1.851 588 2HA GLY 77 2HA GLY 77 13.387 5.270 3.091 589 H PHE 78 H PHE 78 10.884 6.164 2.200 590 HA PHE 78 HA PHE 78 11.637 8.766 0.967 591 1HB PHE 78 1HB PHE 78 9.340 6.931 0.191 592 2HB PHE 78 2HB PHE 78 9.141 8.616 0.060 593 HD1 PHE 78 HD1 PHE 78 11.654 5.976 -1.024 594 HD2 PHE 78 HD2 PHE 78 9.893 9.859 -1.776 595 HE1 PHE 78 HE1 PHE 78 12.994 6.198 -3.065 596 HE2 PHE 78 HE2 PHE 78 11.184 10.011 -3.875 597 HZ PHE 78 HZ PHE 78 12.795 8.233 -4.471 598 HA PRO 79 HA PRO 79 9.662 10.568 4.418 599 1HB PRO 79 1HB PRO 79 8.658 12.924 3.443 600 2HB PRO 79 2HB PRO 79 10.418 12.566 3.524 601 1HG PRO 79 1HG PRO 79 8.541 12.269 1.161 602 2HG PRO 79 2HG PRO 79 10.134 13.092 1.203 603 1HD PRO 79 1HD PRO 79 9.861 10.536 0.343 604 2HD PRO 79 2HD PRO 79 11.285 11.036 1.296 605 H SER 80 H SER 80 7.609 9.583 1.802 606 HA SER 80 HA SER 80 5.210 9.613 3.566 607 1HB SER 80 1HB SER 80 5.208 10.373 0.654 608 2HB SER 80 2HB SER 80 3.855 10.327 1.680 609 HG SER 80 HG SER 80 5.086 12.473 1.339 610 H ILE 81 H ILE 81 3.843 7.975 3.113 611 HA ILE 81 HA ILE 81 4.956 5.477 2.112 612 HB ILE 81 HB ILE 81 2.178 6.278 3.063 613 1HG1 ILE 81 1HG1 ILE 81 4.114 4.270 4.268 614 2HG1 ILE 81 2HG1 ILE 81 4.262 5.981 4.621 615 1HG2 ILE 81 1HG2 ILE 81 3.091 3.528 2.147 616 2HG2 ILE 81 2HG2 ILE 81 1.568 3.881 2.982 617 3HG2 ILE 81 3HG2 ILE 81 1.849 4.533 1.366 618 1HD1 ILE 81 1HD1 ILE 81 1.717 4.442 5.195 619 2HD1 ILE 81 2HD1 ILE 81 3.024 4.769 6.355 620 3HD1 ILE 81 3HD1 ILE 81 2.123 6.114 5.653 621 HA PRO 82 HA PRO 82 1.958 6.449 -1.485 622 1HB PRO 82 1HB PRO 82 1.627 9.186 -2.133 623 2HB PRO 82 2HB PRO 82 0.461 8.138 -1.288 624 1HG PRO 82 1HG PRO 82 2.330 10.081 -0.075 625 2HG PRO 82 2HG PRO 82 0.673 9.684 0.416 626 1HD PRO 82 1HD PRO 82 2.751 8.745 1.731 627 2HD PRO 82 2HD PRO 82 1.359 7.749 1.548 628 H LEU 83 H LEU 83 4.612 8.679 -0.833 629 HA LEU 83 HA LEU 83 5.609 8.767 -3.512 630 1HB LEU 83 1HB LEU 83 6.697 9.362 -0.772 631 2HB LEU 83 2HB LEU 83 7.802 9.250 -2.114 632 HG LEU 83 HG LEU 83 5.369 11.076 -2.309 633 1HD1 LEU 83 1HD1 LEU 83 6.908 12.904 -1.614 634 2HD1 LEU 83 2HD1 LEU 83 8.197 11.732 -1.312 635 3HD1 LEU 83 3HD1 LEU 83 6.737 11.732 -0.306 636 1HD2 LEU 83 1HD2 LEU 83 6.485 10.570 -4.423 637 2HD2 LEU 83 2HD2 LEU 83 8.036 11.104 -3.750 638 3HD2 LEU 83 3HD2 LEU 83 6.686 12.250 -3.946 639 H LEU 84 H LEU 84 6.156 6.391 -0.886 640 HA LEU 84 HA LEU 84 8.190 5.019 -2.429 641 1HB LEU 84 1HB LEU 84 7.577 5.130 0.210 642 2HB LEU 84 2HB LEU 84 6.556 3.732 -0.249 643 HG LEU 84 HG LEU 84 8.641 3.061 0.799 644 1HD1 LEU 84 1HD1 LEU 84 9.611 1.497 -0.733 645 2HD1 LEU 84 2HD1 LEU 84 8.928 2.352 -2.113 646 3HD1 LEU 84 3HD1 LEU 84 7.863 1.517 -0.933 647 1HD2 LEU 84 1HD2 LEU 84 10.846 3.422 -0.195 648 2HD2 LEU 84 2HD2 LEU 84 10.064 4.945 0.187 649 3HD2 LEU 84 3HD2 LEU 84 10.120 4.372 -1.501 650 H ILE 85 H ILE 85 4.689 4.851 -2.126 651 HA ILE 85 HA ILE 85 4.312 2.302 -3.363 652 HB ILE 85 HB ILE 85 2.585 4.819 -3.537 653 1HG1 ILE 85 1HG1 ILE 85 2.800 3.928 -1.227 654 2HG1 ILE 85 2HG1 ILE 85 1.167 3.827 -1.857 655 1HG2 ILE 85 1HG2 ILE 85 2.009 3.476 -5.413 656 2HG2 ILE 85 2HG2 ILE 85 2.034 1.999 -4.444 657 3HG2 ILE 85 3HG2 ILE 85 0.756 3.216 -4.185 658 1HD1 ILE 85 1HD1 ILE 85 1.394 1.474 -2.256 659 2HD1 ILE 85 2HD1 ILE 85 3.118 1.509 -1.849 660 3HD1 ILE 85 3HD1 ILE 85 1.892 1.815 -0.589 661 H ASP 86 H ASP 86 4.717 5.575 -4.821 662 HA ASP 86 HA ASP 86 4.349 4.519 -7.467 663 1HB ASP 86 1HB ASP 86 4.146 6.848 -7.005 664 2HB ASP 86 2HB ASP 86 5.863 7.002 -6.595 665 H HIS 87 H HIS 87 7.299 5.029 -5.521 666 HA HIS 87 HA HIS 87 8.992 4.199 -7.680 667 1HB HIS 87 1HB HIS 87 9.598 4.559 -4.742 668 2HB HIS 87 2HB HIS 87 10.800 4.166 -5.954 669 HD1 HIS 87 HD1 HIS 87 12.199 6.376 -6.312 670 HD2 HIS 87 HD2 HIS 87 8.022 6.981 -6.137 671 HE1 HIS 87 HE1 HIS 87 11.794 8.781 -6.884 672 H LEU 88 H LEU 88 6.897 2.250 -5.706 673 HA LEU 88 HA LEU 88 8.483 -0.161 -6.504 674 1HB LEU 88 1HB LEU 88 6.144 0.337 -4.649 675 2HB LEU 88 2HB LEU 88 6.559 -1.268 -5.251 676 HG LEU 88 HG LEU 88 7.724 0.421 -3.161 677 1HD1 LEU 88 1HD1 LEU 88 6.739 -1.807 -2.873 678 2HD1 LEU 88 2HD1 LEU 88 8.435 -1.848 -2.333 679 3HD1 LEU 88 3HD1 LEU 88 8.001 -2.505 -3.933 680 1HD2 LEU 88 1HD2 LEU 88 9.804 -0.993 -4.867 681 2HD2 LEU 88 2HD2 LEU 88 10.058 -0.388 -3.218 682 3HD2 LEU 88 3HD2 LEU 88 9.709 0.754 -4.507 683 H LEU 89 H LEU 89 5.502 1.669 -7.124 684 HA LEU 89 HA LEU 89 4.233 -0.454 -8.601 685 1HB LEU 89 1HB LEU 89 3.311 1.649 -7.294 686 2HB LEU 89 2HB LEU 89 3.399 2.445 -8.861 687 HG LEU 89 HG LEU 89 2.097 -0.268 -8.520 688 1HD1 LEU 89 1HD1 LEU 89 -0.051 0.915 -8.038 689 2HD1 LEU 89 2HD1 LEU 89 0.857 2.431 -7.865 690 3HD1 LEU 89 3HD1 LEU 89 1.168 1.074 -6.753 691 1HD2 LEU 89 1HD2 LEU 89 0.556 0.399 -10.218 692 2HD2 LEU 89 2HD2 LEU 89 2.234 0.467 -10.786 693 3HD2 LEU 89 3HD2 LEU 89 1.381 1.981 -10.379 694 H SER 90 H SER 90 6.006 2.489 -9.458 695 HA SER 90 HA SER 90 5.520 2.074 -12.268 696 1HB SER 90 1HB SER 90 5.621 4.355 -11.248 697 2HB SER 90 2HB SER 90 7.293 4.059 -10.757 698 HG SER 90 HG SER 90 7.267 3.584 -13.312 699 H THR 91 H THR 91 7.656 0.710 -10.051 700 HA THR 91 HA THR 91 9.890 0.376 -11.996 701 HB THR 91 HB THR 91 11.261 -0.201 -10.067 702 HG1 THR 91 HG1 THR 91 9.828 0.682 -8.051 703 1HG2 THR 91 1HG2 THR 91 9.782 2.419 -9.540 704 2HG2 THR 91 2HG2 THR 91 11.084 2.199 -10.737 705 3HG2 THR 91 3HG2 THR 91 11.410 1.988 -9.008 706 H GLN 92 H GLN 92 7.552 -1.187 -9.883 707 HA GLN 92 HA GLN 92 6.519 -3.190 -9.956 708 1HB GLN 92 1HB GLN 92 8.125 -3.883 -12.465 709 2HB GLN 92 2HB GLN 92 6.866 -4.857 -11.751 710 1HG GLN 92 1HG GLN 92 6.329 -2.002 -12.663 711 2HG GLN 92 2HG GLN 92 6.212 -3.414 -13.732 712 1HE2 GLN 92 2HE2 GLN 92 4.726 -1.770 -11.008 713 2HE2 GLN 92 1HE2 GLN 92 3.516 -2.980 -10.668 714 H GLN 93 H GLN 93 7.910 -2.938 -7.994 715 HA GLN 93 HA GLN 93 9.872 -5.130 -8.055 716 1HB GLN 93 1HB GLN 93 9.927 -2.382 -6.742 717 2HB GLN 93 2HB GLN 93 10.799 -3.665 -5.916 718 1HG GLN 93 1HG GLN 93 12.117 -4.113 -7.973 719 2HG GLN 93 2HG GLN 93 11.265 -2.797 -8.770 720 1HE2 GLN 93 2HE2 GLN 93 11.464 -0.643 -7.899 721 2HE2 GLN 93 1HE2 GLN 93 12.919 -0.189 -7.028 722 HA PRO 94 HA PRO 94 8.198 -7.528 -5.209 723 1HB PRO 94 1HB PRO 94 10.315 -8.729 -3.899 724 2HB PRO 94 2HB PRO 94 9.837 -9.063 -5.589 725 1HG PRO 94 1HG PRO 94 11.959 -7.144 -4.582 726 2HG PRO 94 2HG PRO 94 12.084 -8.335 -5.919 727 1HD PRO 94 1HD PRO 94 11.581 -5.726 -6.424 728 2HD PRO 94 2HD PRO 94 10.767 -7.010 -7.357 729 H LEU 95 H LEU 95 7.305 -7.547 -3.246 730 HA LEU 95 HA LEU 95 7.951 -5.385 -1.383 731 1HB LEU 95 1HB LEU 95 5.830 -7.564 -1.185 732 2HB LEU 95 2HB LEU 95 5.936 -6.114 -0.209 733 HG LEU 95 HG LEU 95 5.239 -6.248 -3.152 734 1HD1 LEU 95 1HD1 LEU 95 3.534 -6.732 -1.366 735 2HD1 LEU 95 2HD1 LEU 95 3.157 -5.299 -2.338 736 3HD1 LEU 95 3HD1 LEU 95 3.844 -5.119 -0.712 737 1HD2 LEU 95 1HD2 LEU 95 5.891 -3.820 -1.449 738 2HD2 LEU 95 2HD2 LEU 95 5.099 -3.764 -3.043 739 3HD2 LEU 95 3HD2 LEU 95 6.750 -4.358 -2.899 740 H THR 96 H THR 96 8.637 -8.824 -1.444 741 HA THR 96 HA THR 96 10.224 -8.498 0.902 742 HB THR 96 HB THR 96 8.151 -8.813 2.111 743 HG1 THR 96 HG1 THR 96 8.543 -10.689 3.187 744 1HG2 THR 96 1HG2 THR 96 6.753 -10.886 1.813 745 2HG2 THR 96 2HG2 THR 96 7.585 -11.171 0.289 746 3HG2 THR 96 3HG2 THR 96 6.618 -9.701 0.510 747 H LYS 97 H LYS 97 11.869 -10.058 0.802 748 HA LYS 97 HA LYS 97 12.268 -11.660 -1.520 749 1HB LYS 97 1HB LYS 97 13.417 -12.167 1.247 750 2HB LYS 97 2HB LYS 97 14.075 -12.702 -0.292 751 1HG LYS 97 1HG LYS 97 13.879 -9.847 0.710 752 2HG LYS 97 2HG LYS 97 15.345 -10.814 0.642 753 1HD LYS 97 1HD LYS 97 13.723 -9.977 -1.795 754 2HD LYS 97 2HD LYS 97 15.080 -9.068 -1.184 755 1HE LYS 97 1HE LYS 97 15.375 -11.986 -1.979 756 2HE LYS 97 2HE LYS 97 15.490 -10.661 -3.150 757 1HZ LYS 97 1HZ LYS 97 17.663 -11.150 -2.404 758 2HZ LYS 97 2HZ LYS 97 17.252 -11.020 -0.809 759 3HZ LYS 97 3HZ LYS 97 17.244 -9.699 -1.778 760 H LYS 98 H LYS 98 10.340 -12.148 1.337 761 HA LYS 98 HA LYS 98 10.297 -15.043 1.239 762 1HB LYS 98 1HB LYS 98 8.650 -12.908 2.688 763 2HB LYS 98 2HB LYS 98 8.338 -14.609 2.895 764 1HG LYS 98 1HG LYS 98 10.991 -13.249 3.562 765 2HG LYS 98 2HG LYS 98 9.754 -13.773 4.705 766 1HD LYS 98 1HD LYS 98 10.798 -15.759 4.803 767 2HD LYS 98 2HD LYS 98 10.149 -16.076 3.181 768 1HE LYS 98 1HE LYS 98 12.200 -15.186 2.155 769 2HE LYS 98 2HE LYS 98 12.835 -14.707 3.737 770 1HZ LYS 98 1HZ LYS 98 13.017 -16.991 4.351 771 2HZ LYS 98 2HZ LYS 98 13.686 -16.874 2.841 772 3HZ LYS 98 3HZ LYS 98 12.183 -17.480 3.028 773 H SER 99 H SER 99 8.568 -12.777 -0.697 774 HA SER 99 HA SER 99 6.880 -15.028 -1.489 775 1HB SER 99 1HB SER 99 5.585 -14.057 0.288 776 2HB SER 99 2HB SER 99 5.742 -12.440 -0.384 777 HG SER 99 HG SER 99 4.389 -14.519 -1.791 778 H GLY 100 H GLY 100 8.365 -11.855 -2.279 779 1HA GLY 100 1HA GLY 100 8.726 -10.860 -4.262 780 2HA GLY 100 2HA GLY 100 8.367 -12.374 -5.061 781 H VAL 101 H VAL 101 5.945 -10.781 -3.041 782 HA VAL 101 HA VAL 101 3.953 -10.334 -5.007 783 HB VAL 101 HB VAL 101 4.525 -8.694 -2.515 784 1HG1 VAL 101 1HG1 VAL 101 2.073 -8.452 -2.391 785 2HG1 VAL 101 2HG1 VAL 101 2.788 -7.682 -3.797 786 3HG1 VAL 101 3HG1 VAL 101 1.932 -9.232 -3.984 787 1HG2 VAL 101 1HG2 VAL 101 2.927 -10.289 -1.369 788 2HG2 VAL 101 2HG2 VAL 101 3.287 -11.428 -2.676 789 3HG2 VAL 101 3HG2 VAL 101 4.585 -10.804 -1.614 790 H VAL 102 H VAL 102 3.583 -8.469 -6.418 791 HA VAL 102 HA VAL 102 5.524 -6.248 -6.141 792 HB VAL 102 HB VAL 102 4.631 -6.907 -8.917 793 1HG1 VAL 102 1HG1 VAL 102 6.514 -6.002 -9.624 794 2HG1 VAL 102 2HG1 VAL 102 6.012 -4.967 -8.275 795 3HG1 VAL 102 3HG1 VAL 102 7.324 -6.178 -8.064 796 1HG2 VAL 102 1HG2 VAL 102 5.308 -9.180 -8.256 797 2HG2 VAL 102 2HG2 VAL 102 6.555 -8.452 -9.253 798 3HG2 VAL 102 3HG2 VAL 102 6.772 -8.506 -7.488 799 H LEU 103 H LEU 103 4.606 -4.169 -6.638 800 HA LEU 103 HA LEU 103 1.764 -4.001 -6.065 801 1HB LEU 103 1HB LEU 103 3.644 -1.826 -7.012 802 2HB LEU 103 2HB LEU 103 2.008 -1.599 -6.408 803 HG LEU 103 HG LEU 103 4.487 -2.392 -4.869 804 1HD1 LEU 103 1HD1 LEU 103 2.376 -0.249 -4.414 805 2HD1 LEU 103 2HD1 LEU 103 3.920 0.022 -5.244 806 3HD1 LEU 103 3HD1 LEU 103 3.897 -0.436 -3.527 807 1HD2 LEU 103 1HD2 LEU 103 2.845 -3.947 -4.038 808 2HD2 LEU 103 2HD2 LEU 103 1.589 -2.707 -3.989 809 3HD2 LEU 103 3HD2 LEU 103 2.948 -2.626 -2.856 810 H HIS 104 H HIS 104 0.089 -3.693 -7.532 811 HA HIS 104 HA HIS 104 0.819 -3.306 -10.396 812 1HB HIS 104 1HB HIS 104 -0.033 -5.764 -9.114 813 2HB HIS 104 2HB HIS 104 -1.202 -5.285 -10.348 814 HD1 HIS 104 HD1 HIS 104 0.864 -4.231 -12.596 815 HD2 HIS 104 HD2 HIS 104 1.162 -7.741 -10.253 816 HE1 HIS 104 HE1 HIS 104 2.270 -5.845 -13.900 817 H ARG 105 H ARG 105 -1.925 -3.391 -7.973 818 HA ARG 105 HA ARG 105 -3.231 -1.344 -9.658 819 1HB ARG 105 1HB ARG 105 -4.037 -3.792 -10.135 820 2HB ARG 105 2HB ARG 105 -4.682 -3.733 -8.512 821 1HG ARG 105 1HG ARG 105 -6.539 -3.087 -9.737 822 2HG ARG 105 2HG ARG 105 -5.897 -1.508 -9.315 823 1HD ARG 105 1HD ARG 105 -4.696 -1.400 -11.478 824 2HD ARG 105 2HD ARG 105 -5.246 -3.050 -11.854 825 HE ARG 105 HE ARG 105 -7.492 -1.401 -11.320 826 1HH1 ARG 105 2HH1 ARG 105 -5.075 -2.230 -13.770 827 2HH1 ARG 105 1HH1 ARG 105 -6.093 -1.962 -15.139 828 1HH2 ARG 105 2HH2 ARG 105 -8.825 -0.823 -13.107 829 2HH2 ARG 105 1HH2 ARG 105 -8.348 -1.131 -14.735 830 H ALA 106 H ALA 106 -4.417 0.109 -8.483 831 HA ALA 106 HA ALA 106 -4.395 -0.180 -5.504 832 1HB ALA 106 1HB ALA 106 -4.654 2.294 -7.247 833 2HB ALA 106 2HB ALA 106 -4.579 2.244 -5.489 834 3HB ALA 106 3HB ALA 106 -3.153 1.772 -6.472 835 H VAL 107 H VAL 107 -6.366 -0.636 -4.644 836 HA VAL 107 HA VAL 107 -8.925 -0.311 -5.992 837 HB VAL 107 HB VAL 107 -8.380 -0.322 -2.993 838 1HG1 VAL 107 1HG1 VAL 107 -10.589 -1.304 -2.819 839 2HG1 VAL 107 2HG1 VAL 107 -10.723 0.149 -3.799 840 3HG1 VAL 107 3HG1 VAL 107 -10.729 -1.458 -4.582 841 1HG2 VAL 107 1HG2 VAL 107 -8.559 -2.609 -2.819 842 2HG2 VAL 107 2HG2 VAL 107 -8.731 -2.867 -4.584 843 3HG2 VAL 107 3HG2 VAL 107 -7.193 -2.299 -3.876 844 HA PRO 108 HA PRO 108 -9.000 3.998 -4.785 845 1HB PRO 108 1HB PRO 108 -11.082 4.866 -6.279 846 2HB PRO 108 2HB PRO 108 -9.454 4.581 -6.992 847 1HG PRO 108 1HG PRO 108 -11.886 2.761 -7.142 848 2HG PRO 108 2HG PRO 108 -10.634 3.044 -8.380 849 1HD PRO 108 1HD PRO 108 -10.784 0.928 -6.494 850 2HD PRO 108 2HD PRO 108 -9.397 1.325 -7.558 851 H SER 109 H SER 109 -9.772 4.219 -2.759 852 HA SER 109 HA SER 109 -12.430 3.177 -2.025 853 1HB SER 109 1HB SER 109 -10.560 3.402 -0.364 854 2HB SER 109 2HB SER 109 -10.624 5.153 -0.547 855 HG SER 109 HG SER 109 -11.871 4.463 1.190 856 H GLY 110 H GLY 110 -10.819 6.299 -2.662 857 1HA GLY 110 1HA GLY 110 -12.498 7.956 -3.939 858 2HA GLY 110 2HA GLY 110 -13.265 7.790 -2.338 859 HA PRO 111 HA PRO 111 -9.537 10.674 -2.279 860 1HB PRO 111 1HB PRO 111 -10.642 13.154 -2.302 861 2HB PRO 111 2HB PRO 111 -10.521 12.149 -3.780 862 1HG PRO 111 1HG PRO 111 -12.914 12.492 -1.944 863 2HG PRO 111 2HG PRO 111 -12.866 12.609 -3.734 864 1HD PRO 111 1HD PRO 111 -13.600 10.324 -2.375 865 2HD PRO 111 2HD PRO 111 -12.809 10.287 -3.974 866 H SER 112 H SER 112 -11.899 9.859 0.001 867 HA SER 112 HA SER 112 -10.499 11.236 2.166 868 1HB SER 112 1HB SER 112 -12.778 12.073 3.004 869 2HB SER 112 2HB SER 112 -12.068 12.937 1.642 870 HG SER 112 HG SER 112 -14.213 11.093 1.635 871 H SER 113 H SER 113 -11.066 10.408 4.237 872 HA SER 113 HA SER 113 -12.598 7.898 4.403 873 1HB SER 113 1HB SER 113 -10.649 6.993 5.768 874 2HB SER 113 2HB SER 113 -10.385 7.105 4.025 875 HG SER 113 HG SER 113 -9.372 8.787 6.064 876 H GLY 114 H GLY 114 -12.575 7.372 7.022 877 1HA GLY 114 1HA GLY 114 -12.544 9.737 8.655 878 2HA GLY 114 2HA GLY 114 -14.176 9.109 8.330 Start of MODEL 5 1 1H GLY 1 H GLY 1 -19.070 10.662 -10.084 2 1HA GLY 1 1HA GLY 1 -16.827 10.950 -9.095 3 2HA GLY 1 2HA GLY 1 -16.937 11.614 -10.745 4 H SER 2 H SER 2 -15.440 12.372 -8.050 5 HA SER 2 HA SER 2 -15.938 15.298 -8.282 6 1HB SER 2 1HB SER 2 -15.925 13.787 -5.650 7 2HB SER 2 2HB SER 2 -16.284 15.501 -5.907 8 HG SER 2 HG SER 2 -18.088 13.910 -5.640 9 H SER 3 H SER 3 -13.576 13.002 -8.441 10 HA SER 3 HA SER 3 -11.619 14.461 -6.716 11 1HB SER 3 1HB SER 3 -11.658 11.591 -7.689 12 2HB SER 3 2HB SER 3 -10.469 12.324 -6.587 13 HG SER 3 HG SER 3 -12.825 11.256 -5.963 14 H GLY 4 H GLY 4 -12.302 13.730 -9.981 15 1HA GLY 4 1HA GLY 4 -11.376 14.403 -11.915 16 2HA GLY 4 2HA GLY 4 -10.758 15.704 -10.912 17 H SER 5 H SER 5 -9.148 12.706 -10.144 18 HA SER 5 HA SER 5 -6.907 13.551 -11.915 19 1HB SER 5 1HB SER 5 -7.037 14.219 -9.355 20 2HB SER 5 2HB SER 5 -6.482 12.558 -9.120 21 HG SER 5 HG SER 5 -5.299 14.708 -10.543 22 H SER 6 H SER 6 -5.057 11.956 -11.668 23 HA SER 6 HA SER 6 -6.060 9.205 -12.251 24 1HB SER 6 1HB SER 6 -4.452 9.506 -14.296 25 2HB SER 6 2HB SER 6 -6.100 10.143 -14.339 26 HG SER 6 HG SER 6 -3.682 11.499 -14.326 27 H GLY 7 H GLY 7 -3.555 11.062 -10.750 28 1HA GLY 7 1HA GLY 7 -2.172 8.795 -9.801 29 2HA GLY 7 2HA GLY 7 -1.278 9.501 -11.171 30 H GLU 8 H GLU 8 -1.342 9.574 -7.970 31 HA GLU 8 HA GLU 8 -1.555 12.513 -7.476 32 1HB GLU 8 1HB GLU 8 -2.901 10.201 -5.993 33 2HB GLU 8 2HB GLU 8 -3.113 11.938 -5.717 34 1HG GLU 8 1HG GLU 8 -3.774 12.003 -8.248 35 2HG GLU 8 2HG GLU 8 -4.019 10.267 -8.077 36 H VAL 9 H VAL 9 0.880 10.706 -7.572 37 HA VAL 9 HA VAL 9 1.714 9.631 -5.241 38 HB VAL 9 HB VAL 9 3.530 11.250 -7.070 39 1HG1 VAL 9 1HG1 VAL 9 4.024 8.736 -5.454 40 2HG1 VAL 9 2HG1 VAL 9 5.194 9.504 -6.553 41 3HG1 VAL 9 3HG1 VAL 9 4.638 10.370 -5.119 42 1HG2 VAL 9 1HG2 VAL 9 2.158 9.845 -8.577 43 2HG2 VAL 9 2HG2 VAL 9 3.781 9.185 -8.462 44 3HG2 VAL 9 3HG2 VAL 9 2.466 8.426 -7.548 45 H GLN 10 H GLN 10 2.294 13.007 -6.284 46 HA GLN 10 HA GLN 10 3.684 13.629 -3.880 47 1HB GLN 10 1HB GLN 10 2.690 15.506 -6.028 48 2HB GLN 10 2HB GLN 10 3.987 15.818 -4.868 49 1HG GLN 10 1HG GLN 10 3.950 13.773 -7.118 50 2HG GLN 10 2HG GLN 10 4.907 15.258 -7.060 51 1HE2 GLN 10 2HE2 GLN 10 5.567 12.197 -7.167 52 2HE2 GLN 10 1HE2 GLN 10 6.673 11.904 -5.845 53 H LYS 11 H LYS 11 0.401 13.442 -4.426 54 HA LYS 11 HA LYS 11 -0.620 15.638 -2.786 55 1HB LYS 11 1HB LYS 11 -1.772 12.876 -3.484 56 2HB LYS 11 2HB LYS 11 -2.575 13.989 -2.462 57 1HG LYS 11 1HG LYS 11 -2.065 15.641 -4.570 58 2HG LYS 11 2HG LYS 11 -2.195 14.102 -5.431 59 1HD LYS 11 1HD LYS 11 -4.434 13.842 -4.911 60 2HD LYS 11 2HD LYS 11 -4.344 14.732 -3.415 61 1HE LYS 11 1HE LYS 11 -4.135 16.053 -6.131 62 2HE LYS 11 2HE LYS 11 -5.630 15.904 -5.190 63 1HZ LYS 11 1HZ LYS 11 -4.680 18.018 -4.706 64 2HZ LYS 11 2HZ LYS 11 -3.194 17.379 -4.367 65 3HZ LYS 11 3HZ LYS 11 -4.478 17.078 -3.376 66 HA PRO 12 HA PRO 12 0.247 14.126 1.323 67 1HB PRO 12 1HB PRO 12 -2.159 14.388 2.647 68 2HB PRO 12 2HB PRO 12 -1.116 15.772 2.256 69 1HG PRO 12 1HG PRO 12 -3.462 14.682 0.689 70 2HG PRO 12 2HG PRO 12 -3.207 16.382 1.185 71 1HD PRO 12 1HD PRO 12 -2.568 15.592 -1.279 72 2HD PRO 12 2HD PRO 12 -1.426 16.629 -0.452 73 H LEU 13 H LEU 13 -0.398 12.317 2.769 74 HA LEU 13 HA LEU 13 -1.289 9.977 1.362 75 1HB LEU 13 1HB LEU 13 0.236 10.037 3.277 76 2HB LEU 13 2HB LEU 13 -1.090 10.460 4.359 77 HG LEU 13 HG LEU 13 -1.272 7.929 2.636 78 1HD1 LEU 13 1HD1 LEU 13 0.937 8.013 3.876 79 2HD1 LEU 13 2HD1 LEU 13 -0.134 6.667 4.340 80 3HD1 LEU 13 3HD1 LEU 13 0.055 8.092 5.383 81 1HD2 LEU 13 1HD2 LEU 13 -3.281 8.498 3.938 82 2HD2 LEU 13 2HD2 LEU 13 -2.342 8.660 5.423 83 3HD2 LEU 13 3HD2 LEU 13 -2.508 7.077 4.632 84 H HIS 14 H HIS 14 -2.914 12.462 3.360 85 HA HIS 14 HA HIS 14 -5.250 10.939 3.687 86 1HB HIS 14 1HB HIS 14 -6.157 12.734 4.816 87 2HB HIS 14 2HB HIS 14 -4.438 12.944 5.075 88 HD1 HIS 14 HD1 HIS 14 -7.173 14.288 2.708 89 HD2 HIS 14 HD2 HIS 14 -3.610 15.426 4.628 90 HE1 HIS 14 HE1 HIS 14 -6.870 16.783 2.224 91 H GLU 15 H GLU 15 -4.283 12.159 0.729 92 HA GLU 15 HA GLU 15 -7.108 12.380 -0.243 93 1HB GLU 15 1HB GLU 15 -4.588 13.720 -1.301 94 2HB GLU 15 2HB GLU 15 -6.117 13.642 -2.181 95 1HG GLU 15 1HG GLU 15 -7.226 14.849 -0.267 96 2HG GLU 15 2HG GLU 15 -5.626 15.127 0.398 97 H GLN 16 H GLN 16 -4.701 10.159 0.070 98 HA GLN 16 HA GLN 16 -4.479 9.280 -2.689 99 1HB GLN 16 1HB GLN 16 -3.863 7.827 -0.091 100 2HB GLN 16 2HB GLN 16 -3.433 7.242 -1.702 101 1HG GLN 16 1HG GLN 16 -2.469 9.815 -0.434 102 2HG GLN 16 2HG GLN 16 -1.558 8.327 -0.492 103 1HE2 GLN 16 2HE2 GLN 16 -1.138 11.152 -1.637 104 2HE2 GLN 16 1HE2 GLN 16 -0.766 10.855 -3.325 105 H LEU 17 H LEU 17 -5.154 7.185 -3.367 106 HA LEU 17 HA LEU 17 -8.039 6.980 -2.979 107 1HB LEU 17 1HB LEU 17 -7.781 5.575 -5.116 108 2HB LEU 17 2HB LEU 17 -7.648 7.270 -5.213 109 HG LEU 17 HG LEU 17 -5.145 5.550 -4.987 110 1HD1 LEU 17 1HD1 LEU 17 -6.699 6.066 -7.548 111 2HD1 LEU 17 2HD1 LEU 17 -6.492 4.492 -6.744 112 3HD1 LEU 17 3HD1 LEU 17 -5.089 5.323 -7.439 113 1HD2 LEU 17 1HD2 LEU 17 -4.801 8.032 -4.957 114 2HD2 LEU 17 2HD2 LEU 17 -5.687 8.152 -6.478 115 3HD2 LEU 17 3HD2 LEU 17 -4.133 7.303 -6.419 116 H TRP 18 H TRP 18 -5.260 4.773 -3.252 117 HA TRP 18 HA TRP 18 -6.584 2.414 -2.269 118 1HB TRP 18 1HB TRP 18 -4.142 1.722 -1.999 119 2HB TRP 18 2HB TRP 18 -4.687 2.112 -3.583 120 HD1 TRP 18 HD1 TRP 18 -3.229 3.738 -4.928 121 HE1 TRP 18 HE1 TRP 18 -1.331 5.391 -4.423 122 HE3 TRP 18 HE3 TRP 18 -3.231 3.524 0.203 123 HZ2 TRP 18 HZ2 TRP 18 0.050 6.369 -2.191 124 HZ3 TRP 18 HZ3 TRP 18 -1.701 4.960 1.513 125 HH2 TRP 18 HH2 TRP 18 0.015 6.348 0.342 126 H TYR 19 H TYR 19 -5.837 5.300 -0.677 127 HA TYR 19 HA TYR 19 -5.191 4.029 1.903 128 1HB TYR 19 1HB TYR 19 -4.130 6.113 1.418 129 2HB TYR 19 2HB TYR 19 -5.690 6.884 1.076 130 HD1 TYR 19 HD1 TYR 19 -4.672 4.605 3.938 131 HD2 TYR 19 HD2 TYR 19 -5.970 8.532 2.681 132 HE1 TYR 19 HE1 TYR 19 -5.091 5.171 6.246 133 HE2 TYR 19 HE2 TYR 19 -6.347 9.163 5.017 134 HH TYR 19 HH TYR 19 -6.725 8.271 7.122 135 H HIS 20 H HIS 20 -7.040 2.685 2.371 136 HA HIS 20 HA HIS 20 -9.728 3.837 2.091 137 1HB HIS 20 1HB HIS 20 -8.721 1.136 2.993 138 2HB HIS 20 2HB HIS 20 -10.375 1.645 3.292 139 HD1 HIS 20 HD1 HIS 20 -11.995 0.859 1.350 140 HD2 HIS 20 HD2 HIS 20 -8.010 1.617 0.164 141 HE1 HIS 20 HE1 HIS 20 -11.825 0.269 -1.100 142 H GLY 21 H GLY 21 -7.549 3.082 4.989 143 1HA GLY 21 1HA GLY 21 -7.702 4.794 6.736 144 2HA GLY 21 2HA GLY 21 -9.445 4.544 6.700 145 H ALA 22 H ALA 22 -9.443 3.717 8.731 146 HA ALA 22 HA ALA 22 -7.797 1.402 9.540 147 1HB ALA 22 1HB ALA 22 -8.872 1.606 11.692 148 2HB ALA 22 2HB ALA 22 -8.193 3.161 11.170 149 3HB ALA 22 3HB ALA 22 -9.952 2.878 11.063 150 H ILE 23 H ILE 23 -8.548 0.027 7.950 151 HA ILE 23 HA ILE 23 -11.283 -1.079 8.270 152 HB ILE 23 HB ILE 23 -11.434 -1.133 6.106 153 1HG1 ILE 23 1HG1 ILE 23 -8.887 -2.790 5.892 154 2HG1 ILE 23 2HG1 ILE 23 -10.534 -3.375 6.163 155 1HG2 ILE 23 1HG2 ILE 23 -9.985 0.857 6.045 156 2HG2 ILE 23 2HG2 ILE 23 -8.574 -0.193 5.711 157 3HG2 ILE 23 3HG2 ILE 23 -9.931 -0.096 4.587 158 1HD1 ILE 23 1HD1 ILE 23 -9.563 -2.052 3.641 159 2HD1 ILE 23 2HD1 ILE 23 -10.021 -3.740 3.894 160 3HD1 ILE 23 3HD1 ILE 23 -11.252 -2.465 4.025 161 HA PRO 24 HA PRO 24 -9.538 -4.800 10.090 162 1HB PRO 24 1HB PRO 24 -11.520 -6.633 9.616 163 2HB PRO 24 2HB PRO 24 -11.689 -5.312 10.817 164 1HG PRO 24 1HG PRO 24 -12.667 -5.444 7.980 165 2HG PRO 24 2HG PRO 24 -13.580 -4.898 9.422 166 1HD PRO 24 1HD PRO 24 -12.393 -3.134 7.693 167 2HD PRO 24 2HD PRO 24 -12.459 -2.830 9.453 168 H ARG 25 H ARG 25 -8.583 -6.805 9.499 169 HA ARG 25 HA ARG 25 -7.569 -6.942 6.872 170 1HB ARG 25 1HB ARG 25 -6.492 -8.997 7.604 171 2HB ARG 25 2HB ARG 25 -6.639 -8.027 9.062 172 1HG ARG 25 1HG ARG 25 -8.796 -9.308 9.581 173 2HG ARG 25 2HG ARG 25 -8.451 -10.313 8.162 174 1HD ARG 25 1HD ARG 25 -6.122 -10.617 9.438 175 2HD ARG 25 2HD ARG 25 -7.161 -10.338 10.849 176 HE ARG 25 HE ARG 25 -6.949 -12.656 9.194 177 1HH1 ARG 25 2HH1 ARG 25 -9.593 -10.869 10.870 178 2HH1 ARG 25 1HH1 ARG 25 -10.650 -12.246 10.809 179 1HH2 ARG 25 2HH2 ARG 25 -8.469 -14.432 9.169 180 2HH2 ARG 25 1HH2 ARG 25 -9.969 -14.230 10.022 181 H ALA 26 H ALA 26 -10.591 -8.250 7.958 182 HA ALA 26 HA ALA 26 -10.734 -10.353 5.973 183 1HB ALA 26 1HB ALA 26 -12.809 -8.943 7.720 184 2HB ALA 26 2HB ALA 26 -13.153 -10.316 6.668 185 3HB ALA 26 3HB ALA 26 -12.010 -10.516 8.007 186 H GLU 27 H GLU 27 -11.849 -6.975 6.214 187 HA GLU 27 HA GLU 27 -13.551 -6.948 3.965 188 1HB GLU 27 1HB GLU 27 -12.036 -4.897 5.590 189 2HB GLU 27 2HB GLU 27 -12.954 -4.370 4.172 190 1HG GLU 27 1HG GLU 27 -14.165 -6.074 6.404 191 2HG GLU 27 2HG GLU 27 -14.122 -4.307 6.467 192 H VAL 28 H VAL 28 -10.073 -6.399 4.243 193 HA VAL 28 HA VAL 28 -9.270 -5.472 1.823 194 HB VAL 28 HB VAL 28 -8.151 -7.893 3.283 195 1HG1 VAL 28 1HG1 VAL 28 -6.035 -7.444 2.202 196 2HG1 VAL 28 2HG1 VAL 28 -7.265 -7.729 0.993 197 3HG1 VAL 28 3HG1 VAL 28 -6.752 -6.059 1.315 198 1HG2 VAL 28 1HG2 VAL 28 -7.373 -4.949 3.521 199 2HG2 VAL 28 2HG2 VAL 28 -8.278 -5.866 4.741 200 3HG2 VAL 28 3HG2 VAL 28 -6.612 -6.316 4.372 201 H ALA 29 H ALA 29 -9.895 -9.018 2.280 202 HA ALA 29 HA ALA 29 -9.316 -9.566 -0.422 203 1HB ALA 29 1HB ALA 29 -9.429 -11.081 1.673 204 2HB ALA 29 2HB ALA 29 -11.113 -11.306 1.158 205 3HB ALA 29 3HB ALA 29 -9.751 -11.723 0.032 206 H GLU 30 H GLU 30 -12.129 -8.155 0.780 207 HA GLU 30 HA GLU 30 -13.976 -9.128 -1.292 208 1HB GLU 30 1HB GLU 30 -15.067 -8.979 0.786 209 2HB GLU 30 2HB GLU 30 -14.172 -7.585 1.286 210 1HG GLU 30 1HG GLU 30 -16.300 -6.807 1.078 211 2HG GLU 30 2HG GLU 30 -15.469 -6.148 -0.312 212 H LEU 31 H LEU 31 -11.847 -6.424 -0.460 213 HA LEU 31 HA LEU 31 -12.946 -4.571 -2.457 214 1HB LEU 31 1HB LEU 31 -10.413 -4.439 -0.757 215 2HB LEU 31 2HB LEU 31 -11.115 -3.119 -1.667 216 HG LEU 31 HG LEU 31 -12.669 -4.494 0.594 217 1HD1 LEU 31 1HD1 LEU 31 -10.960 -2.005 0.774 218 2HD1 LEU 31 2HD1 LEU 31 -10.650 -3.589 1.549 219 3HD1 LEU 31 3HD1 LEU 31 -12.066 -2.627 2.005 220 1HD2 LEU 31 1HD2 LEU 31 -14.001 -3.073 -1.023 221 2HD2 LEU 31 2HD2 LEU 31 -12.894 -1.711 -0.671 222 3HD2 LEU 31 3HD2 LEU 31 -13.919 -2.373 0.607 223 H LEU 32 H LEU 32 -10.114 -6.612 -1.882 224 HA LEU 32 HA LEU 32 -8.908 -5.962 -4.472 225 1HB LEU 32 1HB LEU 32 -8.074 -8.277 -2.711 226 2HB LEU 32 2HB LEU 32 -7.111 -7.346 -3.828 227 HG LEU 32 HG LEU 32 -7.970 -6.599 -1.028 228 1HD1 LEU 32 1HD1 LEU 32 -5.309 -6.998 -2.246 229 2HD1 LEU 32 2HD1 LEU 32 -6.141 -8.107 -1.134 230 3HD1 LEU 32 3HD1 LEU 32 -5.591 -6.510 -0.584 231 1HD2 LEU 32 1HD2 LEU 32 -8.155 -4.520 -2.099 232 2HD2 LEU 32 2HD2 LEU 32 -6.646 -4.758 -3.019 233 3HD2 LEU 32 3HD2 LEU 32 -6.596 -4.524 -1.270 234 H VAL 33 H VAL 33 -9.038 -7.389 -6.277 235 HA VAL 33 HA VAL 33 -10.802 -9.777 -5.950 236 HB VAL 33 HB VAL 33 -10.935 -7.742 -8.226 237 1HG1 VAL 33 1HG1 VAL 33 -12.813 -10.023 -7.478 238 2HG1 VAL 33 2HG1 VAL 33 -13.090 -8.844 -8.777 239 3HG1 VAL 33 3HG1 VAL 33 -11.732 -9.960 -8.893 240 1HG2 VAL 33 1HG2 VAL 33 -13.081 -6.965 -7.328 241 2HG2 VAL 33 2HG2 VAL 33 -12.850 -7.948 -5.872 242 3HG2 VAL 33 3HG2 VAL 33 -11.762 -6.601 -6.224 243 H HIS 34 H HIS 34 -8.230 -8.152 -7.868 244 HA HIS 34 HA HIS 34 -7.579 -10.814 -9.044 245 1HB HIS 34 1HB HIS 34 -6.851 -8.062 -10.068 246 2HB HIS 34 2HB HIS 34 -6.667 -9.608 -10.901 247 HD1 HIS 34 HD1 HIS 34 -9.091 -10.729 -11.822 248 HD2 HIS 34 HD2 HIS 34 -9.200 -6.837 -10.166 249 HE1 HIS 34 HE1 HIS 34 -11.329 -9.706 -12.475 250 H SER 35 H SER 35 -5.225 -11.210 -9.249 251 HA SER 35 HA SER 35 -3.931 -10.394 -6.841 252 1HB SER 35 1HB SER 35 -1.917 -11.508 -7.683 253 2HB SER 35 2HB SER 35 -3.345 -12.518 -7.583 254 HG SER 35 HG SER 35 -3.586 -11.992 -9.949 255 H GLY 36 H GLY 36 -2.822 -8.620 -6.398 256 1HA GLY 36 1HA GLY 36 -1.098 -6.980 -7.221 257 2HA GLY 36 2HA GLY 36 -2.149 -6.777 -8.645 258 H ASP 37 H ASP 37 -4.640 -6.925 -6.991 259 HA ASP 37 HA ASP 37 -5.057 -4.119 -6.558 260 1HB ASP 37 1HB ASP 37 -6.543 -6.647 -5.893 261 2HB ASP 37 2HB ASP 37 -7.014 -5.132 -5.124 262 H PHE 38 H PHE 38 -4.460 -2.867 -4.829 263 HA PHE 38 HA PHE 38 -3.874 -4.192 -2.282 264 1HB PHE 38 1HB PHE 38 -1.812 -2.948 -1.957 265 2HB PHE 38 2HB PHE 38 -1.672 -3.894 -3.428 266 HD1 PHE 38 HD1 PHE 38 -2.307 -0.404 -2.192 267 HD2 PHE 38 HD2 PHE 38 -1.140 -2.922 -5.492 268 HE1 PHE 38 HE1 PHE 38 -1.831 1.590 -3.571 269 HE2 PHE 38 HE2 PHE 38 -0.696 -0.913 -6.865 270 HZ PHE 38 HZ PHE 38 -1.077 1.367 -5.891 271 H LEU 39 H LEU 39 -3.951 -2.799 -0.467 272 HA LEU 39 HA LEU 39 -4.834 -0.035 -0.817 273 1HB LEU 39 1HB LEU 39 -6.793 -0.172 0.409 274 2HB LEU 39 2HB LEU 39 -6.880 -1.442 -0.759 275 HG LEU 39 HG LEU 39 -5.917 -2.892 1.388 276 1HD1 LEU 39 1HD1 LEU 39 -7.173 -2.212 3.363 277 2HD1 LEU 39 2HD1 LEU 39 -7.456 -0.627 2.620 278 3HD1 LEU 39 3HD1 LEU 39 -5.802 -1.174 2.976 279 1HD2 LEU 39 1HD2 LEU 39 -8.283 -3.492 1.804 280 2HD2 LEU 39 2HD2 LEU 39 -7.988 -3.353 0.064 281 3HD2 LEU 39 3HD2 LEU 39 -8.784 -2.033 0.920 282 H VAL 40 H VAL 40 -4.496 1.205 1.105 283 HA VAL 40 HA VAL 40 -2.670 0.013 3.136 284 HB VAL 40 HB VAL 40 -3.101 2.899 2.277 285 1HG1 VAL 40 1HG1 VAL 40 -1.430 3.511 4.031 286 2HG1 VAL 40 2HG1 VAL 40 -2.959 2.963 4.718 287 3HG1 VAL 40 3HG1 VAL 40 -1.560 1.861 4.686 288 1HG2 VAL 40 1HG2 VAL 40 -0.632 1.097 2.431 289 2HG2 VAL 40 2HG2 VAL 40 -1.511 1.511 0.954 290 3HG2 VAL 40 3HG2 VAL 40 -0.648 2.772 1.845 291 H ARG 41 H ARG 41 -3.562 -0.446 4.967 292 HA ARG 41 HA ARG 41 -6.016 0.960 5.796 293 1HB ARG 41 1HB ARG 41 -6.753 -1.063 6.959 294 2HB ARG 41 2HB ARG 41 -6.486 -1.429 5.230 295 1HG ARG 41 1HG ARG 41 -4.262 -2.315 5.805 296 2HG ARG 41 2HG ARG 41 -4.588 -2.066 7.524 297 1HD ARG 41 1HD ARG 41 -6.481 -3.719 5.859 298 2HD ARG 41 2HD ARG 41 -4.910 -4.372 6.322 299 HE ARG 41 HE ARG 41 -6.922 -3.324 8.277 300 1HH1 ARG 41 2HH1 ARG 41 -4.532 -5.767 7.425 301 2HH1 ARG 41 1HH1 ARG 41 -4.474 -6.501 8.999 302 1HH2 ARG 41 2HH2 ARG 41 -6.948 -4.329 10.366 303 2HH2 ARG 41 1HH2 ARG 41 -6.079 -5.801 10.619 304 H GLU 42 H GLU 42 -6.125 1.121 8.217 305 HA GLU 42 HA GLU 42 -3.431 1.311 9.469 306 1HB GLU 42 1HB GLU 42 -5.179 3.135 9.606 307 2HB GLU 42 2HB GLU 42 -6.053 2.077 10.745 308 1HG GLU 42 1HG GLU 42 -4.073 2.118 12.253 309 2HG GLU 42 2HG GLU 42 -3.185 3.063 11.063 310 H SER 43 H SER 43 -3.154 0.313 11.606 311 HA SER 43 HA SER 43 -3.944 -2.474 11.492 312 1HB SER 43 1HB SER 43 -1.630 -1.421 12.027 313 2HB SER 43 2HB SER 43 -2.273 -1.152 13.660 314 HG SER 43 HG SER 43 -1.062 -3.048 13.296 315 H GLN 44 H GLN 44 -3.995 -3.195 14.026 316 HA GLN 44 HA GLN 44 -6.747 -2.991 14.669 317 1HB GLN 44 1HB GLN 44 -4.362 -4.165 16.138 318 2HB GLN 44 2HB GLN 44 -6.033 -4.420 16.651 319 1HG GLN 44 1HG GLN 44 -5.556 -5.051 13.771 320 2HG GLN 44 2HG GLN 44 -4.549 -5.971 14.881 321 1HE2 GLN 44 2HE2 GLN 44 -5.470 -7.751 15.829 322 2HE2 GLN 44 1HE2 GLN 44 -7.205 -8.096 15.918 323 H GLY 45 H GLY 45 -4.408 -2.522 17.357 324 1HA GLY 45 1HA GLY 45 -5.822 -0.012 18.116 325 2HA GLY 45 2HA GLY 45 -4.956 -1.114 19.198 326 H LYS 46 H LYS 46 -2.926 -1.156 16.699 327 HA LYS 46 HA LYS 46 -1.083 0.756 17.879 328 1HB LYS 46 1HB LYS 46 -0.802 -0.683 15.231 329 2HB LYS 46 2HB LYS 46 0.483 -0.027 16.254 330 1HG LYS 46 1HG LYS 46 -1.206 -2.499 16.697 331 2HG LYS 46 2HG LYS 46 0.527 -2.402 16.406 332 1HD LYS 46 1HD LYS 46 0.868 -1.322 18.615 333 2HD LYS 46 2HD LYS 46 -0.881 -1.369 18.902 334 1HE LYS 46 1HE LYS 46 -0.240 -3.271 20.000 335 2HE LYS 46 2HE LYS 46 -0.742 -3.884 18.410 336 1HZ LYS 46 1HZ LYS 46 1.552 -4.116 17.802 337 2HZ LYS 46 2HZ LYS 46 1.402 -4.755 19.330 338 3HZ LYS 46 3HZ LYS 46 2.078 -3.280 19.109 339 H GLN 47 H GLN 47 0.053 2.375 16.539 340 HA GLN 47 HA GLN 47 -1.769 3.978 14.826 341 1HB GLN 47 1HB GLN 47 0.863 4.746 16.172 342 2HB GLN 47 2HB GLN 47 -0.294 5.822 15.395 343 1HG GLN 47 1HG GLN 47 -1.977 5.146 17.171 344 2HG GLN 47 2HG GLN 47 -0.686 4.269 17.993 345 1HE2 GLN 47 2HE2 GLN 47 -2.139 7.358 17.562 346 2HE2 GLN 47 1HE2 GLN 47 -0.959 8.317 18.429 347 H GLU 48 H GLU 48 -0.994 1.732 13.488 348 HA GLU 48 HA GLU 48 1.528 2.259 12.046 349 1HB GLU 48 1HB GLU 48 2.292 0.640 13.468 350 2HB GLU 48 2HB GLU 48 0.702 0.232 14.002 351 1HG GLU 48 1HG GLU 48 0.479 -1.151 11.823 352 2HG GLU 48 2HG GLU 48 2.237 -0.994 11.760 353 H TYR 49 H TYR 49 1.318 1.796 9.841 354 HA TYR 49 HA TYR 49 -1.436 1.077 8.943 355 1HB TYR 49 1HB TYR 49 0.893 2.303 7.448 356 2HB TYR 49 2HB TYR 49 -0.623 1.771 6.706 357 HD1 TYR 49 HD1 TYR 49 -2.831 2.698 7.902 358 HD2 TYR 49 HD2 TYR 49 1.026 4.603 7.833 359 HE1 TYR 49 HE1 TYR 49 -3.913 4.875 8.401 360 HE2 TYR 49 HE2 TYR 49 -0.033 6.778 8.199 361 HH TYR 49 HH TYR 49 -3.493 7.115 9.019 362 H VAL 50 H VAL 50 -1.666 -0.374 7.136 363 HA VAL 50 HA VAL 50 0.340 -2.542 7.004 364 HB VAL 50 HB VAL 50 -2.640 -2.943 7.333 365 1HG1 VAL 50 1HG1 VAL 50 -1.997 -5.280 7.854 366 2HG1 VAL 50 2HG1 VAL 50 -1.424 -4.808 6.246 367 3HG1 VAL 50 3HG1 VAL 50 -0.287 -4.865 7.610 368 1HG2 VAL 50 1HG2 VAL 50 -2.127 -2.039 9.403 369 2HG2 VAL 50 2HG2 VAL 50 -1.963 -3.781 9.688 370 3HG2 VAL 50 3HG2 VAL 50 -0.520 -2.762 9.420 371 H LEU 51 H LEU 51 0.690 -3.046 5.055 372 HA LEU 51 HA LEU 51 -0.940 -2.062 2.775 373 1HB LEU 51 1HB LEU 51 1.727 -2.191 2.789 374 2HB LEU 51 2HB LEU 51 1.493 -3.910 2.644 375 HG LEU 51 HG LEU 51 -0.139 -3.209 0.630 376 1HD1 LEU 51 1HD1 LEU 51 0.013 -0.777 1.060 377 2HD1 LEU 51 2HD1 LEU 51 0.685 -1.174 -0.528 378 3HD1 LEU 51 3HD1 LEU 51 1.766 -0.835 0.845 379 1HD2 LEU 51 1HD2 LEU 51 1.719 -3.448 -0.914 380 2HD2 LEU 51 2HD2 LEU 51 1.867 -4.595 0.424 381 3HD2 LEU 51 3HD2 LEU 51 2.876 -3.137 0.403 382 H SER 52 H SER 52 -2.445 -3.338 1.838 383 HA SER 52 HA SER 52 -2.420 -6.228 2.537 384 1HB SER 52 1HB SER 52 -4.948 -4.632 2.263 385 2HB SER 52 2HB SER 52 -4.645 -6.171 3.095 386 HG SER 52 HG SER 52 -3.623 -3.651 3.867 387 H VAL 53 H VAL 53 -2.029 -7.333 0.627 388 HA VAL 53 HA VAL 53 -3.166 -6.301 -1.883 389 HB VAL 53 HB VAL 53 -1.027 -5.292 -1.756 390 1HG1 VAL 53 1HG1 VAL 53 1.075 -6.378 -1.446 391 2HG1 VAL 53 2HG1 VAL 53 0.066 -6.663 -0.042 392 3HG1 VAL 53 3HG1 VAL 53 0.277 -7.962 -1.234 393 1HG2 VAL 53 1HG2 VAL 53 -1.821 -6.584 -3.912 394 2HG2 VAL 53 2HG2 VAL 53 -0.255 -5.849 -3.852 395 3HG2 VAL 53 3HG2 VAL 53 -0.428 -7.617 -3.586 396 H LEU 54 H LEU 54 -3.874 -7.849 -3.229 397 HA LEU 54 HA LEU 54 -4.065 -10.568 -2.198 398 1HB LEU 54 1HB LEU 54 -5.893 -9.100 -3.224 399 2HB LEU 54 2HB LEU 54 -5.172 -9.399 -4.780 400 HG LEU 54 HG LEU 54 -5.798 -11.802 -4.544 401 1HD1 LEU 54 1HD1 LEU 54 -6.790 -11.012 -1.824 402 2HD1 LEU 54 2HD1 LEU 54 -5.543 -12.219 -2.270 403 3HD1 LEU 54 3HD1 LEU 54 -7.236 -12.513 -2.669 404 1HD2 LEU 54 1HD2 LEU 54 -8.098 -11.609 -4.847 405 2HD2 LEU 54 2HD2 LEU 54 -7.380 -10.109 -5.456 406 3HD2 LEU 54 3HD2 LEU 54 -8.196 -10.138 -3.873 407 H TRP 55 H TRP 55 -2.589 -12.183 -2.756 408 HA TRP 55 HA TRP 55 -1.194 -11.949 -5.367 409 1HB TRP 55 1HB TRP 55 0.027 -11.133 -3.117 410 2HB TRP 55 2HB TRP 55 0.293 -12.863 -2.918 411 HD1 TRP 55 HD1 TRP 55 2.695 -13.359 -3.676 412 HE1 TRP 55 HE1 TRP 55 4.245 -12.657 -5.588 413 HE3 TRP 55 HE3 TRP 55 -0.322 -9.862 -5.893 414 HZ2 TRP 55 HZ2 TRP 55 4.280 -10.619 -7.655 415 HZ3 TRP 55 HZ3 TRP 55 0.545 -8.519 -7.791 416 HH2 TRP 55 HH2 TRP 55 2.826 -8.920 -8.678 417 H ASP 56 H ASP 56 -1.814 -13.775 -6.464 418 HA ASP 56 HA ASP 56 -2.579 -15.874 -6.891 419 1HB ASP 56 1HB ASP 56 -0.264 -16.303 -5.051 420 2HB ASP 56 2HB ASP 56 -1.298 -17.668 -5.259 421 H GLY 57 H GLY 57 -4.372 -14.442 -5.511 422 1HA GLY 57 1HA GLY 57 -6.406 -14.736 -4.576 423 2HA GLY 57 2HA GLY 57 -6.046 -16.447 -4.363 424 H LEU 58 H LEU 58 -3.616 -14.702 -2.907 425 HA LEU 58 HA LEU 58 -4.850 -15.067 -0.219 426 1HB LEU 58 1HB LEU 58 -3.025 -16.575 -0.857 427 2HB LEU 58 2HB LEU 58 -1.943 -15.197 -1.031 428 HG LEU 58 HG LEU 58 -1.586 -16.474 1.006 429 1HD1 LEU 58 1HD1 LEU 58 -1.169 -13.958 0.905 430 2HD1 LEU 58 2HD1 LEU 58 -1.228 -14.707 2.511 431 3HD1 LEU 58 3HD1 LEU 58 -2.612 -13.791 1.914 432 1HD2 LEU 58 1HD2 LEU 58 -4.030 -17.076 1.350 433 2HD2 LEU 58 2HD2 LEU 58 -4.251 -15.471 2.051 434 3HD2 LEU 58 3HD2 LEU 58 -3.121 -16.602 2.809 435 HA PRO 59 HA PRO 59 -4.199 -10.500 -0.158 436 1HB PRO 59 1HB PRO 59 -5.683 -10.032 2.090 437 2HB PRO 59 2HB PRO 59 -6.390 -10.223 0.462 438 1HG PRO 59 1HG PRO 59 -6.137 -12.327 2.623 439 2HG PRO 59 2HG PRO 59 -7.549 -11.947 1.555 440 1HD PRO 59 1HD PRO 59 -5.829 -13.997 1.182 441 2HD PRO 59 2HD PRO 59 -6.624 -13.134 -0.175 442 H ARG 60 H ARG 60 -2.046 -10.518 0.264 443 HA ARG 60 HA ARG 60 -0.857 -11.473 2.735 444 1HB ARG 60 1HB ARG 60 0.124 -9.459 0.663 445 2HB ARG 60 2HB ARG 60 1.109 -10.248 1.882 446 1HG ARG 60 1HG ARG 60 -0.324 -11.878 -0.258 447 2HG ARG 60 2HG ARG 60 1.228 -11.128 -0.555 448 1HD ARG 60 1HD ARG 60 2.255 -12.299 1.294 449 2HD ARG 60 2HD ARG 60 0.697 -12.964 1.815 450 HE ARG 60 HE ARG 60 1.056 -13.804 -0.833 451 1HH1 ARG 60 2HH1 ARG 60 2.721 -14.230 2.279 452 2HH1 ARG 60 1HH1 ARG 60 3.237 -15.850 1.950 453 1HH2 ARG 60 2HH2 ARG 60 1.893 -15.832 -1.372 454 2HH2 ARG 60 1HH2 ARG 60 2.992 -16.663 -0.305 455 H HIS 61 H HIS 61 -0.023 -10.033 4.352 456 HA HIS 61 HA HIS 61 -1.205 -7.313 4.486 457 1HB HIS 61 1HB HIS 61 -2.002 -7.832 6.814 458 2HB HIS 61 2HB HIS 61 -2.910 -8.563 5.497 459 HD1 HIS 61 HD1 HIS 61 -0.730 -9.520 8.427 460 HD2 HIS 61 HD2 HIS 61 -2.814 -11.268 5.231 461 HE1 HIS 61 HE1 HIS 61 -0.846 -12.055 8.919 462 H PHE 62 H PHE 62 0.928 -6.626 4.068 463 HA PHE 62 HA PHE 62 3.042 -7.267 6.062 464 1HB PHE 62 1HB PHE 62 3.265 -5.423 3.621 465 2HB PHE 62 2HB PHE 62 4.542 -6.077 4.608 466 HD1 PHE 62 HD1 PHE 62 4.972 -8.587 4.612 467 HD2 PHE 62 HD2 PHE 62 2.332 -6.691 1.773 468 HE1 PHE 62 HE1 PHE 62 5.078 -10.593 3.167 469 HE2 PHE 62 HE2 PHE 62 2.496 -8.653 0.299 470 HZ PHE 62 HZ PHE 62 3.901 -10.637 1.004 471 H ILE 63 H ILE 63 3.455 -5.942 7.712 472 HA ILE 63 HA ILE 63 2.001 -3.475 8.147 473 HB ILE 63 HB ILE 63 4.553 -4.638 9.323 474 1HG1 ILE 63 1HG1 ILE 63 2.509 -5.898 9.802 475 2HG1 ILE 63 2HG1 ILE 63 3.190 -5.180 11.230 476 1HG2 ILE 63 1HG2 ILE 63 3.139 -2.034 9.911 477 2HG2 ILE 63 2HG2 ILE 63 4.078 -2.884 11.159 478 3HG2 ILE 63 3HG2 ILE 63 4.867 -2.366 9.666 479 1HD1 ILE 63 1HD1 ILE 63 0.845 -4.871 11.461 480 2HD1 ILE 63 2HD1 ILE 63 1.371 -3.290 10.877 481 3HD1 ILE 63 3HD1 ILE 63 0.664 -4.483 9.757 482 H ILE 64 H ILE 64 2.446 -1.513 7.433 483 HA ILE 64 HA ILE 64 4.166 -1.023 5.214 484 HB ILE 64 HB ILE 64 2.683 0.752 7.164 485 1HG1 ILE 64 1HG1 ILE 64 1.348 -0.619 5.583 486 2HG1 ILE 64 2HG1 ILE 64 1.077 1.111 5.470 487 1HG2 ILE 64 1HG2 ILE 64 2.982 2.646 5.577 488 2HG2 ILE 64 2HG2 ILE 64 4.426 2.216 6.480 489 3HG2 ILE 64 3HG2 ILE 64 4.270 1.730 4.774 490 1HD1 ILE 64 1HD1 ILE 64 1.133 -0.022 3.305 491 2HD1 ILE 64 2HD1 ILE 64 2.291 1.303 3.443 492 3HD1 ILE 64 3HD1 ILE 64 2.858 -0.389 3.560 493 H GLN 65 H GLN 65 6.019 0.151 5.112 494 HA GLN 65 HA GLN 65 7.985 -0.632 6.972 495 1HB GLN 65 1HB GLN 65 8.394 1.731 5.098 496 2HB GLN 65 2HB GLN 65 9.549 0.522 5.524 497 1HG GLN 65 1HG GLN 65 8.979 -0.138 3.342 498 2HG GLN 65 2HG GLN 65 7.793 -1.066 4.195 499 1HE2 GLN 65 2HE2 GLN 65 8.442 1.918 2.266 500 2HE2 GLN 65 1HE2 GLN 65 6.789 2.310 1.929 501 H SER 66 H SER 66 9.546 0.980 8.112 502 HA SER 66 HA SER 66 8.916 3.666 8.473 503 1HB SER 66 1HB SER 66 7.019 2.668 9.920 504 2HB SER 66 2HB SER 66 8.312 1.940 10.870 505 HG SER 66 HG SER 66 7.914 3.780 11.926 506 H LEU 67 H LEU 67 10.798 4.497 9.230 507 HA LEU 67 HA LEU 67 12.530 2.879 10.993 508 1HB LEU 67 1HB LEU 67 14.594 3.561 9.833 509 2HB LEU 67 2HB LEU 67 13.649 2.365 8.997 510 HG LEU 67 HG LEU 67 13.118 5.222 8.161 511 1HD1 LEU 67 1HD1 LEU 67 15.118 5.329 6.767 512 2HD1 LEU 67 2HD1 LEU 67 15.705 3.800 7.430 513 3HD1 LEU 67 3HD1 LEU 67 15.593 5.232 8.471 514 1HD2 LEU 67 1HD2 LEU 67 13.596 2.607 6.751 515 2HD2 LEU 67 2HD2 LEU 67 13.177 4.122 5.911 516 3HD2 LEU 67 3HD2 LEU 67 12.016 3.356 7.018 517 H ASP 68 H ASP 68 14.005 5.727 9.743 518 HA ASP 68 HA ASP 68 14.016 6.743 12.426 519 1HB ASP 68 1HB ASP 68 15.746 6.830 10.309 520 2HB ASP 68 2HB ASP 68 15.038 8.440 10.165 521 H ASN 69 H ASN 69 12.910 7.964 9.307 522 HA ASN 69 HA ASN 69 10.446 9.054 10.214 523 1HB ASN 69 1HB ASN 69 12.079 10.842 11.011 524 2HB ASN 69 2HB ASN 69 12.579 11.052 9.339 525 1HD2 ASN 69 2HD2 ASN 69 9.501 10.879 11.288 526 2HD2 ASN 69 1HD2 ASN 69 8.769 12.231 10.438 527 H LEU 70 H LEU 70 11.267 7.081 8.377 528 HA LEU 70 HA LEU 70 10.335 8.154 5.828 529 1HB LEU 70 1HB LEU 70 12.875 6.490 5.884 530 2HB LEU 70 2HB LEU 70 12.127 7.186 4.485 531 HG LEU 70 HG LEU 70 13.253 8.986 6.631 532 1HD1 LEU 70 1HD1 LEU 70 15.030 7.483 6.142 533 2HD1 LEU 70 2HD1 LEU 70 15.349 9.006 5.239 534 3HD1 LEU 70 3HD1 LEU 70 14.705 7.592 4.403 535 1HD2 LEU 70 1HD2 LEU 70 13.482 10.567 4.781 536 2HD2 LEU 70 2HD2 LEU 70 11.815 9.987 4.861 537 3HD2 LEU 70 3HD2 LEU 70 12.927 9.345 3.620 538 H TYR 71 H TYR 71 10.126 6.258 4.250 539 HA TYR 71 HA TYR 71 9.374 3.708 5.678 540 1HB TYR 71 1HB TYR 71 7.936 4.936 3.267 541 2HB TYR 71 2HB TYR 71 7.396 3.610 4.268 542 HD1 TYR 71 HD1 TYR 71 7.588 7.249 3.890 543 HD2 TYR 71 HD2 TYR 71 6.388 4.040 6.466 544 HE1 TYR 71 HE1 TYR 71 6.305 8.848 5.283 545 HE2 TYR 71 HE2 TYR 71 5.080 5.568 7.840 546 HH TYR 71 HH TYR 71 5.038 8.056 8.313 547 H ARG 72 H ARG 72 10.879 2.097 4.899 548 HA ARG 72 HA ARG 72 11.365 2.042 1.941 549 1HB ARG 72 1HB ARG 72 13.630 1.539 2.291 550 2HB ARG 72 2HB ARG 72 13.278 3.048 3.144 551 1HG ARG 72 1HG ARG 72 14.520 2.074 4.774 552 2HG ARG 72 2HG ARG 72 12.933 1.361 5.169 553 1HD ARG 72 1HD ARG 72 14.159 -0.519 5.203 554 2HD ARG 72 2HD ARG 72 13.731 -0.526 3.499 555 HE ARG 72 HE ARG 72 16.178 0.835 3.692 556 1HH1 ARG 72 2HH1 ARG 72 14.799 -2.404 4.189 557 2HH1 ARG 72 1HH1 ARG 72 16.283 -3.244 3.844 558 1HH2 ARG 72 2HH2 ARG 72 18.193 -0.311 3.342 559 2HH2 ARG 72 1HH2 ARG 72 18.226 -2.055 3.447 560 H LEU 73 H LEU 73 11.411 -0.026 0.986 561 HA LEU 73 HA LEU 73 10.805 -2.288 2.826 562 1HB LEU 73 1HB LEU 73 8.931 -1.329 1.468 563 2HB LEU 73 2HB LEU 73 9.693 -2.038 0.025 564 HG LEU 73 HG LEU 73 9.388 -4.240 0.742 565 1HD1 LEU 73 1HD1 LEU 73 9.681 -4.294 3.173 566 2HD1 LEU 73 2HD1 LEU 73 7.959 -4.620 2.892 567 3HD1 LEU 73 3HD1 LEU 73 8.470 -3.018 3.410 568 1HD2 LEU 73 1HD2 LEU 73 7.750 -3.077 -0.341 569 2HD2 LEU 73 2HD2 LEU 73 7.029 -2.461 1.176 570 3HD2 LEU 73 3HD2 LEU 73 6.978 -4.194 0.823 571 H GLU 74 H GLU 74 11.948 -1.772 -0.607 572 HA GLU 74 HA GLU 74 13.987 -3.768 0.103 573 1HB GLU 74 1HB GLU 74 12.405 -4.440 -1.746 574 2HB GLU 74 2HB GLU 74 13.249 -3.299 -2.777 575 1HG GLU 74 1HG GLU 74 15.330 -4.426 -2.579 576 2HG GLU 74 2HG GLU 74 14.839 -5.295 -1.120 577 H GLY 75 H GLY 75 13.451 -0.493 -0.753 578 1HA GLY 75 1HA GLY 75 16.182 -0.103 -1.895 579 2HA GLY 75 2HA GLY 75 14.666 0.622 -2.450 580 H GLU 76 H GLU 76 15.707 2.815 -2.004 581 HA GLU 76 HA GLU 76 16.427 3.564 0.696 582 1HB GLU 76 1HB GLU 76 16.509 5.785 -0.073 583 2HB GLU 76 2HB GLU 76 17.100 4.813 -1.421 584 1HG GLU 76 1HG GLU 76 14.843 4.961 -2.477 585 2HG GLU 76 2HG GLU 76 14.268 5.959 -1.151 586 H GLY 77 H GLY 77 15.096 5.424 1.745 587 1HA GLY 77 1HA GLY 77 12.214 4.738 1.775 588 2HA GLY 77 2HA GLY 77 13.120 5.390 3.149 589 H PHE 78 H PHE 78 10.817 6.569 2.241 590 HA PHE 78 HA PHE 78 11.764 9.212 1.274 591 1HB PHE 78 1HB PHE 78 9.500 7.540 0.128 592 2HB PHE 78 2HB PHE 78 9.236 9.220 0.283 593 HD1 PHE 78 HD1 PHE 78 9.858 10.692 -1.434 594 HD2 PHE 78 HD2 PHE 78 11.935 6.948 -1.012 595 HE1 PHE 78 HE1 PHE 78 11.004 11.102 -3.587 596 HE2 PHE 78 HE2 PHE 78 13.027 7.326 -3.228 597 HZ PHE 78 HZ PHE 78 12.570 9.404 -4.499 598 HA PRO 79 HA PRO 79 9.501 10.745 4.745 599 1HB PRO 79 1HB PRO 79 8.482 13.144 3.823 600 2HB PRO 79 2HB PRO 79 10.211 12.839 4.136 601 1HG PRO 79 1HG PRO 79 8.701 12.719 1.519 602 2HG PRO 79 2HG PRO 79 10.275 13.522 1.848 603 1HD PRO 79 1HD PRO 79 10.104 11.058 0.723 604 2HD PRO 79 2HD PRO 79 11.422 11.473 1.863 605 H SER 80 H SER 80 7.661 9.746 1.987 606 HA SER 80 HA SER 80 5.179 9.911 3.597 607 1HB SER 80 1HB SER 80 5.151 10.561 0.682 608 2HB SER 80 2HB SER 80 3.917 10.889 1.844 609 HG SER 80 HG SER 80 4.949 12.834 1.473 610 H ILE 81 H ILE 81 3.758 8.225 3.148 611 HA ILE 81 HA ILE 81 4.941 5.791 2.171 612 HB ILE 81 HB ILE 81 2.125 6.560 2.970 613 1HG1 ILE 81 1HG1 ILE 81 4.026 4.534 4.213 614 2HG1 ILE 81 2HG1 ILE 81 4.100 6.237 4.621 615 1HG2 ILE 81 1HG2 ILE 81 1.891 4.804 1.223 616 2HG2 ILE 81 2HG2 ILE 81 2.972 3.756 2.163 617 3HG2 ILE 81 3HG2 ILE 81 1.403 4.241 2.818 618 1HD1 ILE 81 1HD1 ILE 81 2.839 4.942 6.277 619 2HD1 ILE 81 2HD1 ILE 81 1.897 6.249 5.558 620 3HD1 ILE 81 3HD1 ILE 81 1.608 4.563 5.055 621 HA PRO 82 HA PRO 82 2.096 6.638 -1.605 622 1HB PRO 82 1HB PRO 82 1.587 9.270 -2.334 623 2HB PRO 82 2HB PRO 82 0.526 8.246 -1.335 624 1HG PRO 82 1HG PRO 82 2.461 10.302 -0.385 625 2HG PRO 82 2HG PRO 82 0.808 9.989 0.225 626 1HD PRO 82 1HD PRO 82 2.853 9.104 1.528 627 2HD PRO 82 2HD PRO 82 1.422 8.091 1.396 628 H LEU 83 H LEU 83 4.656 9.021 -0.857 629 HA LEU 83 HA LEU 83 5.608 9.408 -3.501 630 1HB LEU 83 1HB LEU 83 6.687 9.832 -0.681 631 2HB LEU 83 2HB LEU 83 7.762 9.972 -2.046 632 HG LEU 83 HG LEU 83 6.428 11.691 -3.075 633 1HD1 LEU 83 1HD1 LEU 83 4.606 11.987 -0.698 634 2HD1 LEU 83 2HD1 LEU 83 4.174 11.068 -2.160 635 3HD1 LEU 83 3HD1 LEU 83 4.578 12.758 -2.262 636 1HD2 LEU 83 1HD2 LEU 83 8.217 12.331 -1.494 637 2HD2 LEU 83 2HD2 LEU 83 7.061 12.323 -0.156 638 3HD2 LEU 83 3HD2 LEU 83 6.902 13.504 -1.470 639 H LEU 84 H LEU 84 6.093 6.824 -1.236 640 HA LEU 84 HA LEU 84 8.373 5.705 -2.711 641 1HB LEU 84 1HB LEU 84 7.790 5.738 -0.086 642 2HB LEU 84 2HB LEU 84 6.806 4.333 -0.553 643 HG LEU 84 HG LEU 84 8.745 3.353 0.212 644 1HD1 LEU 84 1HD1 LEU 84 9.522 3.712 -2.720 645 2HD1 LEU 84 2HD1 LEU 84 8.424 2.474 -2.069 646 3HD1 LEU 84 3HD1 LEU 84 10.122 2.476 -1.595 647 1HD2 LEU 84 1HD2 LEU 84 9.953 5.435 0.540 648 2HD2 LEU 84 2HD2 LEU 84 10.369 5.483 -1.198 649 3HD2 LEU 84 3HD2 LEU 84 10.992 4.192 -0.117 650 H ILE 85 H ILE 85 4.837 5.159 -2.232 651 HA ILE 85 HA ILE 85 4.604 2.603 -3.332 652 HB ILE 85 HB ILE 85 2.735 4.999 -3.413 653 1HG1 ILE 85 1HG1 ILE 85 3.032 4.026 -1.208 654 2HG1 ILE 85 2HG1 ILE 85 1.413 3.756 -1.790 655 1HG2 ILE 85 1HG2 ILE 85 0.901 3.378 -4.094 656 2HG2 ILE 85 2HG2 ILE 85 2.038 3.842 -5.361 657 3HG2 ILE 85 3HG2 ILE 85 2.204 2.273 -4.602 658 1HD1 ILE 85 1HD1 ILE 85 2.215 1.792 -0.631 659 2HD1 ILE 85 2HD1 ILE 85 2.073 1.385 -2.348 660 3HD1 ILE 85 3HD1 ILE 85 3.670 1.713 -1.630 661 H ASP 86 H ASP 86 4.887 5.708 -5.114 662 HA ASP 86 HA ASP 86 4.322 4.540 -7.639 663 1HB ASP 86 1HB ASP 86 4.585 7.029 -6.954 664 2HB ASP 86 2HB ASP 86 6.292 6.825 -7.244 665 H HIS 87 H HIS 87 7.507 4.856 -5.932 666 HA HIS 87 HA HIS 87 8.928 3.721 -8.120 667 1HB HIS 87 1HB HIS 87 9.724 3.600 -5.197 668 2HB HIS 87 2HB HIS 87 10.772 3.349 -6.567 669 HD1 HIS 87 HD1 HIS 87 8.825 6.471 -7.334 670 HD2 HIS 87 HD2 HIS 87 12.243 5.241 -5.160 671 HE1 HIS 87 HE1 HIS 87 10.072 8.555 -6.726 672 H LEU 88 H LEU 88 6.729 2.106 -5.920 673 HA LEU 88 HA LEU 88 7.933 -0.550 -6.228 674 1HB LEU 88 1HB LEU 88 5.792 0.682 -4.540 675 2HB LEU 88 2HB LEU 88 5.990 -1.047 -4.728 676 HG LEU 88 HG LEU 88 7.261 0.759 -3.003 677 1HD1 LEU 88 1HD1 LEU 88 8.323 -1.499 -2.202 678 2HD1 LEU 88 2HD1 LEU 88 7.772 -2.174 -3.750 679 3HD1 LEU 88 3HD1 LEU 88 6.584 -1.580 -2.552 680 1HD2 LEU 88 1HD2 LEU 88 9.471 -0.458 -4.709 681 2HD2 LEU 88 2HD2 LEU 88 9.675 0.190 -3.082 682 3HD2 LEU 88 3HD2 LEU 88 9.179 1.268 -4.361 683 H LEU 89 H LEU 89 5.510 1.610 -7.471 684 HA LEU 89 HA LEU 89 3.883 -0.563 -8.599 685 1HB LEU 89 1HB LEU 89 3.199 1.802 -7.495 686 2HB LEU 89 2HB LEU 89 3.280 2.328 -9.173 687 HG LEU 89 HG LEU 89 1.879 -0.260 -8.571 688 1HD1 LEU 89 1HD1 LEU 89 -0.214 0.942 -7.939 689 2HD1 LEU 89 2HD1 LEU 89 0.749 2.420 -7.733 690 3HD1 LEU 89 3HD1 LEU 89 1.076 0.990 -6.713 691 1HD2 LEU 89 1HD2 LEU 89 0.260 0.439 -10.171 692 2HD2 LEU 89 2HD2 LEU 89 1.913 0.501 -10.825 693 3HD2 LEU 89 3HD2 LEU 89 1.079 2.016 -10.351 694 H SER 90 H SER 90 6.250 1.865 -9.479 695 HA SER 90 HA SER 90 5.716 1.395 -12.282 696 1HB SER 90 1HB SER 90 5.859 3.658 -10.954 697 2HB SER 90 2HB SER 90 7.601 3.504 -11.253 698 HG SER 90 HG SER 90 6.321 4.669 -12.841 699 H THR 91 H THR 91 7.868 -0.049 -10.130 700 HA THR 91 HA THR 91 9.632 -0.755 -12.415 701 HB THR 91 HB THR 91 11.576 -0.886 -11.231 702 HG1 THR 91 HG1 THR 91 11.427 -2.067 -9.690 703 1HG2 THR 91 1HG2 THR 91 11.939 1.109 -9.881 704 2HG2 THR 91 2HG2 THR 91 10.201 1.329 -9.634 705 3HG2 THR 91 3HG2 THR 91 10.881 1.515 -11.250 706 H GLN 92 H GLN 92 7.533 -1.850 -9.790 707 HA GLN 92 HA GLN 92 6.507 -3.833 -9.499 708 1HB GLN 92 1HB GLN 92 8.068 -5.109 -11.783 709 2HB GLN 92 2HB GLN 92 6.642 -5.721 -10.997 710 1HG GLN 92 1HG GLN 92 6.656 -3.089 -12.554 711 2HG GLN 92 2HG GLN 92 6.272 -4.653 -13.261 712 1HE2 GLN 92 2HE2 GLN 92 4.951 -2.085 -11.071 713 2HE2 GLN 92 1HE2 GLN 92 3.627 -3.019 -10.506 714 H GLN 93 H GLN 93 8.669 -2.859 -8.153 715 HA GLN 93 HA GLN 93 10.708 -4.827 -7.647 716 1HB GLN 93 1HB GLN 93 9.874 -2.222 -6.522 717 2HB GLN 93 2HB GLN 93 10.492 -3.349 -5.290 718 1HG GLN 93 1HG GLN 93 12.611 -3.531 -6.333 719 2HG GLN 93 2HG GLN 93 12.033 -2.743 -7.820 720 1HE2 GLN 93 2HE2 GLN 93 11.831 -0.591 -7.900 721 2HE2 GLN 93 1HE2 GLN 93 12.186 0.587 -6.679 722 HA PRO 94 HA PRO 94 8.316 -7.450 -5.038 723 1HB PRO 94 1HB PRO 94 10.252 -8.925 -3.767 724 2HB PRO 94 2HB PRO 94 9.883 -9.106 -5.498 725 1HG PRO 94 1HG PRO 94 12.076 -7.489 -4.176 726 2HG PRO 94 2HG PRO 94 12.201 -8.535 -5.618 727 1HD PRO 94 1HD PRO 94 11.894 -5.731 -5.728 728 2HD PRO 94 2HD PRO 94 11.341 -6.857 -7.000 729 H LEU 95 H LEU 95 7.417 -7.366 -3.096 730 HA LEU 95 HA LEU 95 8.174 -5.316 -1.193 731 1HB LEU 95 1HB LEU 95 6.033 -7.450 -0.963 732 2HB LEU 95 2HB LEU 95 6.214 -6.028 0.046 733 HG LEU 95 HG LEU 95 5.334 -6.120 -2.817 734 1HD1 LEU 95 1HD1 LEU 95 3.427 -4.876 -1.830 735 2HD1 LEU 95 2HD1 LEU 95 4.217 -4.964 -0.241 736 3HD1 LEU 95 3HD1 LEU 95 3.663 -6.448 -1.043 737 1HD2 LEU 95 1HD2 LEU 95 5.969 -3.579 -1.339 738 2HD2 LEU 95 2HD2 LEU 95 5.330 -3.748 -2.987 739 3HD2 LEU 95 3HD2 LEU 95 6.984 -4.263 -2.638 740 H THR 96 H THR 96 8.714 -8.791 -1.350 741 HA THR 96 HA THR 96 10.464 -8.586 0.846 742 HB THR 96 HB THR 96 8.535 -8.763 2.246 743 HG1 THR 96 HG1 THR 96 9.146 -10.282 3.448 744 1HG2 THR 96 1HG2 THR 96 6.779 -9.585 0.892 745 2HG2 THR 96 2HG2 THR 96 7.016 -10.743 2.209 746 3HG2 THR 96 3HG2 THR 96 7.617 -11.128 0.597 747 H LYS 97 H LYS 97 11.978 -10.158 0.683 748 HA LYS 97 HA LYS 97 12.002 -12.013 -1.506 749 1HB LYS 97 1HB LYS 97 13.894 -10.936 0.259 750 2HB LYS 97 2HB LYS 97 13.740 -12.575 0.839 751 1HG LYS 97 1HG LYS 97 15.485 -12.662 -0.697 752 2HG LYS 97 2HG LYS 97 14.137 -13.325 -1.604 753 1HD LYS 97 1HD LYS 97 14.887 -10.381 -1.749 754 2HD LYS 97 2HD LYS 97 15.791 -11.556 -2.663 755 1HE LYS 97 1HE LYS 97 12.792 -11.098 -2.975 756 2HE LYS 97 2HE LYS 97 14.033 -10.358 -3.970 757 1HZ LYS 97 1HZ LYS 97 13.579 -13.271 -3.792 758 2HZ LYS 97 2HZ LYS 97 14.703 -12.529 -4.738 759 3HZ LYS 97 3HZ LYS 97 13.076 -12.313 -5.001 760 H LYS 98 H LYS 98 9.971 -12.182 1.079 761 HA LYS 98 HA LYS 98 10.070 -15.148 1.265 762 1HB LYS 98 1HB LYS 98 8.510 -12.942 2.693 763 2HB LYS 98 2HB LYS 98 7.994 -14.619 2.778 764 1HG LYS 98 1HG LYS 98 10.706 -13.593 3.726 765 2HG LYS 98 2HG LYS 98 9.297 -14.045 4.702 766 1HD LYS 98 1HD LYS 98 10.300 -16.070 4.835 767 2HD LYS 98 2HD LYS 98 9.521 -16.321 3.257 768 1HE LYS 98 1HE LYS 98 11.699 -15.487 2.183 769 2HE LYS 98 2HE LYS 98 12.414 -15.478 3.794 770 1HZ LYS 98 1HZ LYS 98 11.918 -17.849 3.943 771 2HZ LYS 98 2HZ LYS 98 12.832 -17.585 2.591 772 3HZ LYS 98 3HZ LYS 98 11.228 -17.851 2.479 773 H SER 99 H SER 99 8.391 -12.691 -0.548 774 HA SER 99 HA SER 99 6.581 -14.826 -1.493 775 1HB SER 99 1HB SER 99 5.547 -12.228 -0.336 776 2HB SER 99 2HB SER 99 4.577 -13.546 -1.010 777 HG SER 99 HG SER 99 5.736 -14.831 0.695 778 H GLY 100 H GLY 100 8.487 -12.085 -2.280 779 1HA GLY 100 1HA GLY 100 8.871 -10.960 -4.163 780 2HA GLY 100 2HA GLY 100 8.197 -12.323 -5.018 781 H VAL 101 H VAL 101 6.053 -10.568 -2.880 782 HA VAL 101 HA VAL 101 4.120 -10.052 -4.782 783 HB VAL 101 HB VAL 101 4.605 -8.450 -2.295 784 1HG1 VAL 101 1HG1 VAL 101 2.532 -8.247 -3.975 785 2HG1 VAL 101 2HG1 VAL 101 1.903 -9.546 -2.968 786 3HG1 VAL 101 3HG1 VAL 101 2.419 -8.003 -2.218 787 1HG2 VAL 101 1HG2 VAL 101 3.235 -10.263 -1.099 788 2HG2 VAL 101 2HG2 VAL 101 3.812 -11.337 -2.375 789 3HG2 VAL 101 3HG2 VAL 101 4.972 -10.452 -1.319 790 H VAL 102 H VAL 102 3.625 -8.167 -6.123 791 HA VAL 102 HA VAL 102 5.413 -5.854 -5.736 792 HB VAL 102 HB VAL 102 6.093 -5.706 -7.840 793 1HG1 VAL 102 1HG1 VAL 102 5.856 -8.703 -7.788 794 2HG1 VAL 102 2HG1 VAL 102 6.993 -7.727 -8.742 795 3HG1 VAL 102 3HG1 VAL 102 7.118 -7.732 -6.988 796 1HG2 VAL 102 1HG2 VAL 102 4.309 -5.497 -9.212 797 2HG2 VAL 102 2HG2 VAL 102 5.059 -6.965 -9.849 798 3HG2 VAL 102 3HG2 VAL 102 3.639 -7.063 -8.786 799 H LEU 103 H LEU 103 4.337 -3.783 -6.509 800 HA LEU 103 HA LEU 103 1.431 -3.923 -6.068 801 1HB LEU 103 1HB LEU 103 3.194 -1.596 -6.902 802 2HB LEU 103 2HB LEU 103 1.539 -1.489 -6.331 803 HG LEU 103 HG LEU 103 3.999 -2.242 -4.703 804 1HD1 LEU 103 1HD1 LEU 103 3.612 -0.108 -3.606 805 2HD1 LEU 103 2HD1 LEU 103 2.095 0.118 -4.513 806 3HD1 LEU 103 3HD1 LEU 103 3.652 0.175 -5.359 807 1HD2 LEU 103 1HD2 LEU 103 2.014 -3.441 -3.837 808 2HD2 LEU 103 2HD2 LEU 103 1.128 -1.913 -3.718 809 3HD2 LEU 103 3HD2 LEU 103 2.575 -2.198 -2.721 810 H HIS 104 H HIS 104 -0.130 -3.755 -7.617 811 HA HIS 104 HA HIS 104 0.755 -3.276 -10.445 812 1HB HIS 104 1HB HIS 104 -1.050 -5.366 -9.285 813 2HB HIS 104 2HB HIS 104 -0.996 -5.007 -10.975 814 HD1 HIS 104 HD1 HIS 104 2.424 -5.142 -10.981 815 HD2 HIS 104 HD2 HIS 104 -0.606 -7.923 -10.046 816 HE1 HIS 104 HE1 HIS 104 3.301 -7.375 -11.628 817 H ARG 105 H ARG 105 -2.063 -3.440 -8.076 818 HA ARG 105 HA ARG 105 -3.450 -1.454 -9.752 819 1HB ARG 105 1HB ARG 105 -4.233 -3.849 -10.261 820 2HB ARG 105 2HB ARG 105 -4.744 -3.897 -8.585 821 1HG ARG 105 1HG ARG 105 -6.716 -3.293 -9.499 822 2HG ARG 105 2HG ARG 105 -6.090 -1.696 -9.199 823 1HD ARG 105 1HD ARG 105 -5.129 -1.726 -11.571 824 2HD ARG 105 2HD ARG 105 -6.069 -3.195 -11.844 825 HE ARG 105 HE ARG 105 -6.979 -0.478 -11.796 826 1HH1 ARG 105 2HH1 ARG 105 -8.228 -3.708 -10.852 827 2HH1 ARG 105 1HH1 ARG 105 -9.853 -3.148 -10.710 828 1HH2 ARG 105 2HH2 ARG 105 -9.048 0.193 -11.672 829 2HH2 ARG 105 1HH2 ARG 105 -10.360 -0.940 -11.451 830 H ALA 106 H ALA 106 -4.661 -0.026 -8.561 831 HA ALA 106 HA ALA 106 -4.537 -0.255 -5.577 832 1HB ALA 106 1HB ALA 106 -4.875 2.147 -7.418 833 2HB ALA 106 2HB ALA 106 -4.873 2.209 -5.647 834 3HB ALA 106 3HB ALA 106 -3.409 1.713 -6.520 835 H VAL 107 H VAL 107 -6.497 0.161 -4.396 836 HA VAL 107 HA VAL 107 -9.055 -0.142 -5.907 837 HB VAL 107 HB VAL 107 -8.546 -0.449 -2.936 838 1HG1 VAL 107 1HG1 VAL 107 -10.817 -1.453 -4.722 839 2HG1 VAL 107 2HG1 VAL 107 -10.722 -1.506 -2.956 840 3HG1 VAL 107 3HG1 VAL 107 -10.896 0.044 -3.754 841 1HG2 VAL 107 1HG2 VAL 107 -7.266 -2.223 -3.902 842 2HG2 VAL 107 2HG2 VAL 107 -8.812 -2.904 -3.383 843 3HG2 VAL 107 3HG2 VAL 107 -8.538 -2.575 -5.104 844 HA PRO 108 HA PRO 108 -9.138 4.200 -4.846 845 1HB PRO 108 1HB PRO 108 -10.972 5.103 -6.550 846 2HB PRO 108 2HB PRO 108 -9.369 4.555 -7.111 847 1HG PRO 108 1HG PRO 108 -12.009 3.030 -7.214 848 2HG PRO 108 2HG PRO 108 -10.667 3.033 -8.411 849 1HD PRO 108 1HD PRO 108 -11.110 1.098 -6.436 850 2HD PRO 108 2HD PRO 108 -9.588 1.377 -7.343 851 H SER 109 H SER 109 -9.845 4.340 -2.891 852 HA SER 109 HA SER 109 -12.502 3.559 -2.024 853 1HB SER 109 1HB SER 109 -10.343 3.473 -0.700 854 2HB SER 109 2HB SER 109 -10.457 5.222 -0.489 855 HG SER 109 HG SER 109 -12.365 4.953 0.610 856 H GLY 110 H GLY 110 -11.046 6.595 -2.969 857 1HA GLY 110 1HA GLY 110 -12.915 8.391 -3.518 858 2HA GLY 110 2HA GLY 110 -13.055 8.311 -1.741 859 HA PRO 111 HA PRO 111 -9.236 10.951 -2.611 860 1HB PRO 111 1HB PRO 111 -10.140 13.472 -2.629 861 2HB PRO 111 2HB PRO 111 -10.497 12.419 -4.018 862 1HG PRO 111 1HG PRO 111 -12.297 13.007 -1.624 863 2HG PRO 111 2HG PRO 111 -12.716 13.140 -3.358 864 1HD PRO 111 1HD PRO 111 -13.187 10.885 -1.779 865 2HD PRO 111 2HD PRO 111 -12.982 10.822 -3.551 866 H SER 112 H SER 112 -10.769 9.812 -0.140 867 HA SER 112 HA SER 112 -9.555 11.134 2.025 868 1HB SER 112 1HB SER 112 -11.195 12.949 1.465 869 2HB SER 112 2HB SER 112 -12.499 11.768 1.508 870 HG SER 112 HG SER 112 -12.516 12.791 3.371 871 H SER 113 H SER 113 -10.334 10.088 4.040 872 HA SER 113 HA SER 113 -11.232 7.302 3.513 873 1HB SER 113 1HB SER 113 -8.688 8.295 4.840 874 2HB SER 113 2HB SER 113 -9.044 6.637 4.351 875 HG SER 113 HG SER 113 -8.465 7.118 2.358 876 H GLY 114 H GLY 114 -12.566 6.532 5.101 877 1HA GLY 114 1HA GLY 114 -12.096 6.822 7.891 878 2HA GLY 114 2HA GLY 114 -13.404 7.897 7.372 Start of MODEL 6 1 1H GLY 1 H GLY 1 -15.411 15.355 -16.331 2 1HA GLY 1 1HA GLY 1 -15.075 12.411 -16.434 3 2HA GLY 1 2HA GLY 1 -13.743 13.579 -16.306 4 H SER 2 H SER 2 -15.195 11.352 -14.466 5 HA SER 2 HA SER 2 -16.397 12.878 -12.387 6 1HB SER 2 1HB SER 2 -15.446 10.010 -12.199 7 2HB SER 2 2HB SER 2 -16.841 10.759 -11.409 8 HG SER 2 HG SER 2 -16.495 9.819 -14.003 9 H SER 3 H SER 3 -13.062 11.708 -12.813 10 HA SER 3 HA SER 3 -12.213 12.769 -10.285 11 1HB SER 3 1HB SER 3 -11.323 10.296 -9.747 12 2HB SER 3 2HB SER 3 -12.874 10.902 -9.190 13 HG SER 3 HG SER 3 -13.717 9.334 -10.124 14 H GLY 4 H GLY 4 -9.882 12.165 -9.966 15 1HA GLY 4 1HA GLY 4 -8.356 11.737 -12.496 16 2HA GLY 4 2HA GLY 4 -7.695 12.427 -11.005 17 H SER 5 H SER 5 -8.042 10.927 -8.995 18 HA SER 5 HA SER 5 -7.351 9.042 -7.953 19 1HB SER 5 1HB SER 5 -9.835 8.989 -8.300 20 2HB SER 5 2HB SER 5 -9.582 7.872 -9.640 21 HG SER 5 HG SER 5 -9.447 7.513 -6.899 22 H SER 6 H SER 6 -5.402 9.433 -9.596 23 HA SER 6 HA SER 6 -4.390 6.847 -10.302 24 1HB SER 6 1HB SER 6 -5.743 7.328 -12.334 25 2HB SER 6 2HB SER 6 -4.946 8.888 -12.515 26 HG SER 6 HG SER 6 -4.173 6.853 -13.708 27 H GLY 7 H GLY 7 -2.155 6.972 -10.231 28 1HA GLY 7 1HA GLY 7 -0.048 7.831 -9.916 29 2HA GLY 7 2HA GLY 7 -0.622 9.413 -10.483 30 H GLU 8 H GLU 8 -1.446 10.883 -8.993 31 HA GLU 8 HA GLU 8 -1.526 12.067 -7.100 32 1HB GLU 8 1HB GLU 8 -2.785 9.505 -6.055 33 2HB GLU 8 2HB GLU 8 -2.869 11.086 -5.264 34 1HG GLU 8 1HG GLU 8 -3.696 11.966 -7.577 35 2HG GLU 8 2HG GLU 8 -4.036 10.270 -7.938 36 H VAL 9 H VAL 9 1.076 10.505 -7.485 37 HA VAL 9 HA VAL 9 1.997 9.428 -5.171 38 HB VAL 9 HB VAL 9 3.628 11.030 -7.188 39 1HG1 VAL 9 1HG1 VAL 9 4.936 10.257 -5.318 40 2HG1 VAL 9 2HG1 VAL 9 4.317 8.599 -5.519 41 3HG1 VAL 9 3HG1 VAL 9 5.363 9.327 -6.755 42 1HG2 VAL 9 1HG2 VAL 9 2.455 8.226 -7.478 43 2HG2 VAL 9 2HG2 VAL 9 2.188 9.609 -8.551 44 3HG2 VAL 9 3HG2 VAL 9 3.764 8.860 -8.502 45 H GLN 10 H GLN 10 2.201 12.824 -6.294 46 HA GLN 10 HA GLN 10 3.926 13.533 -4.108 47 1HB GLN 10 1HB GLN 10 2.607 15.151 -6.308 48 2HB GLN 10 2HB GLN 10 3.812 15.786 -5.185 49 1HG GLN 10 1HG GLN 10 4.395 13.342 -6.888 50 2HG GLN 10 2HG GLN 10 4.609 14.973 -7.503 51 1HE2 GLN 10 2HE2 GLN 10 6.475 12.547 -6.212 52 2HE2 GLN 10 1HE2 GLN 10 7.631 13.521 -5.350 53 H LYS 11 H LYS 11 0.589 13.363 -4.430 54 HA LYS 11 HA LYS 11 -0.355 15.517 -2.730 55 1HB LYS 11 1HB LYS 11 -1.510 12.785 -3.491 56 2HB LYS 11 2HB LYS 11 -2.341 13.874 -2.441 57 1HG LYS 11 1HG LYS 11 -2.163 15.648 -4.290 58 2HG LYS 11 2HG LYS 11 -1.672 14.325 -5.369 59 1HD LYS 11 1HD LYS 11 -3.732 13.141 -4.993 60 2HD LYS 11 2HD LYS 11 -4.214 14.207 -3.685 61 1HE LYS 11 1HE LYS 11 -3.812 15.247 -6.507 62 2HE LYS 11 2HE LYS 11 -5.328 14.509 -5.981 63 1HZ LYS 11 1HZ LYS 11 -4.112 16.886 -4.706 64 2HZ LYS 11 2HZ LYS 11 -5.535 16.178 -4.269 65 3HZ LYS 11 3HZ LYS 11 -5.409 16.855 -5.738 66 HA PRO 12 HA PRO 12 0.372 13.788 1.369 67 1HB PRO 12 1HB PRO 12 -2.004 14.135 2.658 68 2HB PRO 12 2HB PRO 12 -0.869 15.476 2.328 69 1HG PRO 12 1HG PRO 12 -3.295 14.646 0.753 70 2HG PRO 12 2HG PRO 12 -2.852 16.301 1.289 71 1HD PRO 12 1HD PRO 12 -2.334 15.464 -1.216 72 2HD PRO 12 2HD PRO 12 -1.138 16.446 -0.377 73 H LEU 13 H LEU 13 -0.266 11.912 2.675 74 HA LEU 13 HA LEU 13 -1.286 9.676 1.212 75 1HB LEU 13 1HB LEU 13 0.243 9.604 3.088 76 2HB LEU 13 2HB LEU 13 -1.011 10.097 4.216 77 HG LEU 13 HG LEU 13 -1.379 7.580 2.521 78 1HD1 LEU 13 1HD1 LEU 13 0.867 7.738 4.024 79 2HD1 LEU 13 2HD1 LEU 13 -0.066 6.248 3.773 80 3HD1 LEU 13 3HD1 LEU 13 -0.256 7.175 5.257 81 1HD2 LEU 13 1HD2 LEU 13 -2.562 6.795 4.553 82 2HD2 LEU 13 2HD2 LEU 13 -3.308 8.263 3.918 83 3HD2 LEU 13 3HD2 LEU 13 -2.268 8.352 5.350 84 H HIS 14 H HIS 14 -2.873 12.196 3.138 85 HA HIS 14 HA HIS 14 -5.242 10.627 3.370 86 1HB HIS 14 1HB HIS 14 -6.124 12.372 4.651 87 2HB HIS 14 2HB HIS 14 -4.409 12.367 5.018 88 HD1 HIS 14 HD1 HIS 14 -6.879 14.295 2.768 89 HD2 HIS 14 HD2 HIS 14 -3.208 14.724 4.751 90 HE1 HIS 14 HE1 HIS 14 -6.251 16.788 2.589 91 H GLU 15 H GLU 15 -4.166 11.796 0.597 92 HA GLU 15 HA GLU 15 -6.861 12.354 -0.499 93 1HB GLU 15 1HB GLU 15 -4.372 13.960 -1.219 94 2HB GLU 15 2HB GLU 15 -5.870 13.929 -2.146 95 1HG GLU 15 1HG GLU 15 -7.039 14.654 0.037 96 2HG GLU 15 2HG GLU 15 -5.431 15.193 0.525 97 H GLN 16 H GLN 16 -4.916 10.047 -0.251 98 HA GLN 16 HA GLN 16 -4.254 9.321 -3.001 99 1HB GLN 16 1HB GLN 16 -4.386 7.796 -0.350 100 2HB GLN 16 2HB GLN 16 -3.799 7.080 -1.844 101 1HG GLN 16 1HG GLN 16 -2.624 9.480 -0.419 102 2HG GLN 16 2HG GLN 16 -1.923 7.877 -0.473 103 1HE2 GLN 16 2HE2 GLN 16 -1.348 10.857 -1.531 104 2HE2 GLN 16 1HE2 GLN 16 -0.771 10.523 -3.160 105 H LEU 17 H LEU 17 -5.110 6.863 -3.226 106 HA LEU 17 HA LEU 17 -8.082 7.009 -3.404 107 1HB LEU 17 1HB LEU 17 -7.756 5.420 -5.326 108 2HB LEU 17 2HB LEU 17 -7.493 7.102 -5.641 109 HG LEU 17 HG LEU 17 -5.162 5.227 -5.074 110 1HD1 LEU 17 1HD1 LEU 17 -6.504 4.146 -6.809 111 2HD1 LEU 17 2HD1 LEU 17 -5.018 4.811 -7.516 112 3HD1 LEU 17 3HD1 LEU 17 -6.568 5.653 -7.738 113 1HD2 LEU 17 1HD2 LEU 17 -3.902 6.731 -6.563 114 2HD2 LEU 17 2HD2 LEU 17 -4.608 7.667 -5.246 115 3HD2 LEU 17 3HD2 LEU 17 -5.362 7.704 -6.839 116 H TRP 18 H TRP 18 -5.288 4.789 -3.182 117 HA TRP 18 HA TRP 18 -6.757 2.490 -2.337 118 1HB TRP 18 1HB TRP 18 -4.326 1.780 -1.788 119 2HB TRP 18 2HB TRP 18 -4.760 2.082 -3.426 120 HD1 TRP 18 HD1 TRP 18 -3.262 3.726 -4.741 121 HE1 TRP 18 HE1 TRP 18 -1.362 5.305 -4.222 122 HE3 TRP 18 HE3 TRP 18 -3.477 3.650 0.391 123 HZ2 TRP 18 HZ2 TRP 18 0.116 6.139 -1.948 124 HZ3 TRP 18 HZ3 TRP 18 -1.813 4.932 1.711 125 HH2 TRP 18 HH2 TRP 18 0.029 6.138 0.568 126 H TYR 19 H TYR 19 -6.283 5.266 -0.555 127 HA TYR 19 HA TYR 19 -5.542 3.909 1.960 128 1HB TYR 19 1HB TYR 19 -4.415 5.944 1.459 129 2HB TYR 19 2HB TYR 19 -5.912 6.827 1.305 130 HD1 TYR 19 HD1 TYR 19 -4.439 4.382 3.792 131 HD2 TYR 19 HD2 TYR 19 -6.265 8.241 3.166 132 HE1 TYR 19 HE1 TYR 19 -4.322 4.780 6.201 133 HE2 TYR 19 HE2 TYR 19 -6.189 8.672 5.571 134 HH TYR 19 HH TYR 19 -4.125 6.921 7.661 135 H HIS 20 H HIS 20 -7.317 2.635 2.630 136 HA HIS 20 HA HIS 20 -10.029 3.822 2.635 137 1HB HIS 20 1HB HIS 20 -8.977 0.993 2.983 138 2HB HIS 20 2HB HIS 20 -10.597 1.451 3.403 139 HD1 HIS 20 HD1 HIS 20 -12.269 0.991 1.537 140 HD2 HIS 20 HD2 HIS 20 -8.298 1.543 0.225 141 HE1 HIS 20 HE1 HIS 20 -12.239 0.407 -0.934 142 H GLY 21 H GLY 21 -7.326 3.895 4.836 143 1HA GLY 21 1HA GLY 21 -7.197 4.616 6.831 144 2HA GLY 21 2HA GLY 21 -8.962 4.715 6.916 145 H ALA 22 H ALA 22 -9.169 3.717 8.658 146 HA ALA 22 HA ALA 22 -7.977 1.235 9.652 147 1HB ALA 22 1HB ALA 22 -10.358 2.907 10.489 148 2HB ALA 22 2HB ALA 22 -9.711 1.540 11.427 149 3HB ALA 22 3HB ALA 22 -8.706 2.996 11.146 150 H ILE 23 H ILE 23 -8.418 -0.623 8.493 151 HA ILE 23 HA ILE 23 -11.219 -1.431 8.338 152 HB ILE 23 HB ILE 23 -11.417 -1.430 6.153 153 1HG1 ILE 23 1HG1 ILE 23 -8.781 -2.918 5.788 154 2HG1 ILE 23 2HG1 ILE 23 -10.350 -3.646 6.133 155 1HG2 ILE 23 1HG2 ILE 23 -8.592 -0.349 5.835 156 2HG2 ILE 23 2HG2 ILE 23 -9.897 -0.305 4.629 157 3HG2 ILE 23 3HG2 ILE 23 -10.065 0.623 6.100 158 1HD1 ILE 23 1HD1 ILE 23 -11.275 -2.740 4.055 159 2HD1 ILE 23 2HD1 ILE 23 -9.643 -2.200 3.599 160 3HD1 ILE 23 3HD1 ILE 23 -9.968 -3.923 3.840 161 HA PRO 24 HA PRO 24 -9.240 -5.101 10.033 162 1HB PRO 24 1HB PRO 24 -11.139 -6.997 9.546 163 2HB PRO 24 2HB PRO 24 -11.418 -5.653 10.722 164 1HG PRO 24 1HG PRO 24 -12.179 -5.917 7.816 165 2HG PRO 24 2HG PRO 24 -13.266 -5.454 9.161 166 1HD PRO 24 1HD PRO 24 -12.129 -3.574 7.568 167 2HD PRO 24 2HD PRO 24 -12.278 -3.307 9.325 168 H ARG 25 H ARG 25 -8.514 -7.412 9.414 169 HA ARG 25 HA ARG 25 -7.515 -7.533 6.716 170 1HB ARG 25 1HB ARG 25 -6.526 -9.529 7.220 171 2HB ARG 25 2HB ARG 25 -6.629 -8.823 8.825 172 1HG ARG 25 1HG ARG 25 -8.615 -10.264 9.309 173 2HG ARG 25 2HG ARG 25 -8.533 -10.934 7.665 174 1HD ARG 25 1HD ARG 25 -6.255 -11.757 8.094 175 2HD ARG 25 2HD ARG 25 -6.378 -11.223 9.773 176 HE ARG 25 HE ARG 25 -7.446 -13.608 8.560 177 1HH1 ARG 25 2HH1 ARG 25 -7.997 -11.339 11.254 178 2HH1 ARG 25 1HH1 ARG 25 -8.843 -12.480 12.221 179 1HH2 ARG 25 2HH2 ARG 25 -8.470 -15.180 9.968 180 2HH2 ARG 25 1HH2 ARG 25 -9.130 -14.650 11.477 181 H ALA 26 H ALA 26 -10.489 -8.772 8.175 182 HA ALA 26 HA ALA 26 -11.109 -10.646 6.179 183 1HB ALA 26 1HB ALA 26 -12.207 -10.549 8.351 184 2HB ALA 26 2HB ALA 26 -12.952 -8.975 7.952 185 3HB ALA 26 3HB ALA 26 -13.420 -10.427 7.051 186 H GLU 27 H GLU 27 -11.800 -7.153 6.307 187 HA GLU 27 HA GLU 27 -13.577 -7.078 4.086 188 1HB GLU 27 1HB GLU 27 -11.921 -5.094 5.638 189 2HB GLU 27 2HB GLU 27 -12.905 -4.552 4.263 190 1HG GLU 27 1HG GLU 27 -13.977 -6.145 6.627 191 2HG GLU 27 2HG GLU 27 -13.976 -4.385 6.568 192 H VAL 28 H VAL 28 -10.054 -6.960 4.285 193 HA VAL 28 HA VAL 28 -9.286 -5.674 2.007 194 HB VAL 28 HB VAL 28 -8.105 -8.239 3.162 195 1HG1 VAL 28 1HG1 VAL 28 -6.774 -6.234 1.315 196 2HG1 VAL 28 2HG1 VAL 28 -5.992 -7.632 2.102 197 3HG1 VAL 28 3HG1 VAL 28 -7.239 -7.887 0.897 198 1HG2 VAL 28 1HG2 VAL 28 -7.273 -5.335 3.624 199 2HG2 VAL 28 2HG2 VAL 28 -8.203 -6.310 4.765 200 3HG2 VAL 28 3HG2 VAL 28 -6.558 -6.787 4.365 201 H ALA 29 H ALA 29 -9.847 -9.255 1.963 202 HA ALA 29 HA ALA 29 -9.429 -9.399 -0.843 203 1HB ALA 29 1HB ALA 29 -9.488 -11.212 1.011 204 2HB ALA 29 2HB ALA 29 -11.151 -11.401 0.446 205 3HB ALA 29 3HB ALA 29 -9.764 -11.569 -0.715 206 H GLU 30 H GLU 30 -12.096 -8.192 0.791 207 HA GLU 30 HA GLU 30 -14.135 -8.782 -1.240 208 1HB GLU 30 1HB GLU 30 -15.202 -8.843 0.679 209 2HB GLU 30 2HB GLU 30 -14.139 -7.797 1.556 210 1HG GLU 30 1HG GLU 30 -15.183 -5.806 0.860 211 2HG GLU 30 2HG GLU 30 -16.006 -6.592 -0.491 212 H LEU 31 H LEU 31 -11.713 -6.386 -0.515 213 HA LEU 31 HA LEU 31 -12.805 -4.406 -2.431 214 1HB LEU 31 1HB LEU 31 -10.255 -4.399 -0.750 215 2HB LEU 31 2HB LEU 31 -10.901 -3.053 -1.650 216 HG LEU 31 HG LEU 31 -12.211 -4.354 0.796 217 1HD1 LEU 31 1HD1 LEU 31 -11.583 -2.164 1.846 218 2HD1 LEU 31 2HD1 LEU 31 -10.562 -1.835 0.435 219 3HD1 LEU 31 3HD1 LEU 31 -10.256 -3.271 1.455 220 1HD2 LEU 31 1HD2 LEU 31 -12.982 -1.861 -0.806 221 2HD2 LEU 31 2HD2 LEU 31 -13.686 -2.330 0.758 222 3HD2 LEU 31 3HD2 LEU 31 -13.924 -3.360 -0.652 223 H LEU 32 H LEU 32 -10.073 -6.612 -1.814 224 HA LEU 32 HA LEU 32 -8.879 -6.088 -4.455 225 1HB LEU 32 1HB LEU 32 -7.895 -8.193 -2.519 226 2HB LEU 32 2HB LEU 32 -7.022 -7.288 -3.741 227 HG LEU 32 HG LEU 32 -7.950 -6.352 -1.018 228 1HD1 LEU 32 1HD1 LEU 32 -5.559 -6.050 -0.604 229 2HD1 LEU 32 2HD1 LEU 32 -5.218 -6.708 -2.211 230 3HD1 LEU 32 3HD1 LEU 32 -5.980 -7.731 -0.982 231 1HD2 LEU 32 1HD2 LEU 32 -8.137 -4.537 -2.792 232 2HD2 LEU 32 2HD2 LEU 32 -6.375 -4.656 -2.967 233 3HD2 LEU 32 3HD2 LEU 32 -7.090 -4.151 -1.451 234 H VAL 33 H VAL 33 -9.812 -7.177 -6.112 235 HA VAL 33 HA VAL 33 -10.955 -9.895 -5.535 236 HB VAL 33 HB VAL 33 -11.725 -7.901 -7.686 237 1HG1 VAL 33 1HG1 VAL 33 -13.022 -10.494 -6.744 238 2HG1 VAL 33 2HG1 VAL 33 -13.831 -9.329 -7.813 239 3HG1 VAL 33 3HG1 VAL 33 -12.365 -10.134 -8.361 240 1HG2 VAL 33 1HG2 VAL 33 -13.089 -8.465 -5.010 241 2HG2 VAL 33 2HG2 VAL 33 -12.392 -6.923 -5.544 242 3HG2 VAL 33 3HG2 VAL 33 -13.827 -7.542 -6.337 243 H HIS 34 H HIS 34 -8.530 -8.184 -7.274 244 HA HIS 34 HA HIS 34 -7.903 -10.626 -8.826 245 1HB HIS 34 1HB HIS 34 -7.693 -7.748 -9.779 246 2HB HIS 34 2HB HIS 34 -7.317 -9.195 -10.721 247 HD1 HIS 34 HD1 HIS 34 -9.587 -10.928 -10.946 248 HD2 HIS 34 HD2 HIS 34 -10.204 -6.932 -9.815 249 HE1 HIS 34 HE1 HIS 34 -12.071 -10.457 -11.303 250 H SER 35 H SER 35 -5.645 -10.763 -9.472 251 HA SER 35 HA SER 35 -3.943 -10.229 -7.245 252 1HB SER 35 1HB SER 35 -3.840 -11.950 -9.433 253 2HB SER 35 2HB SER 35 -2.608 -10.755 -9.870 254 HG SER 35 HG SER 35 -1.419 -11.927 -8.629 255 H GLY 36 H GLY 36 -2.835 -8.412 -6.766 256 1HA GLY 36 1HA GLY 36 -1.233 -6.715 -7.636 257 2HA GLY 36 2HA GLY 36 -2.395 -6.377 -8.932 258 H ASP 37 H ASP 37 -4.678 -6.653 -6.949 259 HA ASP 37 HA ASP 37 -4.946 -3.850 -6.448 260 1HB ASP 37 1HB ASP 37 -6.570 -6.303 -5.785 261 2HB ASP 37 2HB ASP 37 -6.931 -4.763 -5.007 262 H PHE 38 H PHE 38 -4.388 -2.665 -4.629 263 HA PHE 38 HA PHE 38 -3.796 -4.094 -2.156 264 1HB PHE 38 1HB PHE 38 -1.760 -2.805 -1.702 265 2HB PHE 38 2HB PHE 38 -1.529 -3.733 -3.168 266 HD1 PHE 38 HD1 PHE 38 -1.295 -2.728 -5.343 267 HD2 PHE 38 HD2 PHE 38 -1.962 -0.307 -1.827 268 HE1 PHE 38 HE1 PHE 38 -0.897 -0.704 -6.658 269 HE2 PHE 38 HE2 PHE 38 -1.449 1.726 -3.141 270 HZ PHE 38 HZ PHE 38 -0.987 1.545 -5.589 271 H LEU 39 H LEU 39 -3.854 -2.702 -0.260 272 HA LEU 39 HA LEU 39 -4.810 0.030 -0.539 273 1HB LEU 39 1HB LEU 39 -6.707 -0.231 0.860 274 2HB LEU 39 2HB LEU 39 -6.852 -1.409 -0.421 275 HG LEU 39 HG LEU 39 -5.471 -2.767 1.687 276 1HD1 LEU 39 1HD1 LEU 39 -6.021 -1.019 3.217 277 2HD1 LEU 39 2HD1 LEU 39 -6.916 -2.500 3.608 278 3HD1 LEU 39 3HD1 LEU 39 -7.743 -1.142 2.806 279 1HD2 LEU 39 1HD2 LEU 39 -7.886 -3.805 2.023 280 2HD2 LEU 39 2HD2 LEU 39 -6.900 -4.128 0.603 281 3HD2 LEU 39 3HD2 LEU 39 -8.213 -2.937 0.516 282 H VAL 40 H VAL 40 -4.700 1.078 1.703 283 HA VAL 40 HA VAL 40 -2.414 -0.076 3.288 284 HB VAL 40 HB VAL 40 -2.911 2.802 2.453 285 1HG1 VAL 40 1HG1 VAL 40 -1.950 2.841 4.687 286 2HG1 VAL 40 2HG1 VAL 40 -0.750 1.599 4.239 287 3HG1 VAL 40 3HG1 VAL 40 -0.672 3.219 3.525 288 1HG2 VAL 40 1HG2 VAL 40 -2.045 1.429 0.608 289 2HG2 VAL 40 2HG2 VAL 40 -0.773 2.478 1.220 290 3HG2 VAL 40 3HG2 VAL 40 -0.789 0.761 1.677 291 H ARG 41 H ARG 41 -3.688 -0.941 4.897 292 HA ARG 41 HA ARG 41 -5.786 0.774 6.047 293 1HB ARG 41 1HB ARG 41 -6.567 -1.236 7.250 294 2HB ARG 41 2HB ARG 41 -6.408 -1.550 5.521 295 1HG ARG 41 1HG ARG 41 -4.074 -2.466 6.038 296 2HG ARG 41 2HG ARG 41 -4.455 -2.340 7.754 297 1HD ARG 41 1HD ARG 41 -6.160 -3.924 5.816 298 2HD ARG 41 2HD ARG 41 -4.660 -4.568 6.506 299 HE ARG 41 HE ARG 41 -6.922 -3.541 8.156 300 1HH1 ARG 41 2HH1 ARG 41 -4.714 -6.167 7.516 301 2HH1 ARG 41 1HH1 ARG 41 -4.716 -6.814 9.119 302 1HH2 ARG 41 2HH2 ARG 41 -7.146 -4.370 10.220 303 2HH2 ARG 41 1HH2 ARG 41 -6.521 -5.937 10.620 304 H GLU 42 H GLU 42 -6.007 0.909 8.452 305 HA GLU 42 HA GLU 42 -3.363 1.315 9.725 306 1HB GLU 42 1HB GLU 42 -5.202 2.992 9.752 307 2HB GLU 42 2HB GLU 42 -6.166 1.866 10.690 308 1HG GLU 42 1HG GLU 42 -3.947 2.020 12.317 309 2HG GLU 42 2HG GLU 42 -3.792 3.541 11.456 310 H SER 43 H SER 43 -2.995 0.472 11.862 311 HA SER 43 HA SER 43 -3.491 -2.335 12.372 312 1HB SER 43 1HB SER 43 -1.461 -0.948 12.958 313 2HB SER 43 2HB SER 43 -2.470 -0.087 14.139 314 HG SER 43 HG SER 43 -1.118 -2.298 14.470 315 H GLN 44 H GLN 44 -4.648 -3.175 14.249 316 HA GLN 44 HA GLN 44 -7.075 -1.691 14.869 317 1HB GLN 44 1HB GLN 44 -7.535 -3.617 16.429 318 2HB GLN 44 2HB GLN 44 -7.538 -3.951 14.711 319 1HG GLN 44 1HG GLN 44 -5.541 -5.179 14.782 320 2HG GLN 44 2HG GLN 44 -5.050 -4.519 16.348 321 1HE2 GLN 44 2HE2 GLN 44 -5.426 -5.821 18.117 322 2HE2 GLN 44 1HE2 GLN 44 -6.557 -7.152 18.165 323 H GLY 45 H GLY 45 -6.429 0.184 15.891 324 1HA GLY 45 1HA GLY 45 -6.368 1.326 17.882 325 2HA GLY 45 2HA GLY 45 -5.971 -0.159 18.735 326 H LYS 46 H LYS 46 -3.857 0.730 16.026 327 HA LYS 46 HA LYS 46 -1.930 1.986 17.920 328 1HB LYS 46 1HB LYS 46 -1.027 0.080 15.737 329 2HB LYS 46 2HB LYS 46 -0.043 0.837 16.956 330 1HG LYS 46 1HG LYS 46 -2.164 -1.277 17.522 331 2HG LYS 46 2HG LYS 46 -0.444 -1.601 17.301 332 1HD LYS 46 1HD LYS 46 0.117 -0.152 19.218 333 2HD LYS 46 2HD LYS 46 -1.594 0.203 19.471 334 1HE LYS 46 1HE LYS 46 -1.951 -2.329 19.703 335 2HE LYS 46 2HE LYS 46 -0.184 -2.472 19.755 336 1HZ LYS 46 1HZ LYS 46 -0.311 -0.807 21.621 337 2HZ LYS 46 2HZ LYS 46 -0.894 -2.293 21.987 338 3HZ LYS 46 3HZ LYS 46 -1.937 -1.065 21.660 339 H GLN 47 H GLN 47 -0.510 3.467 16.934 340 HA GLN 47 HA GLN 47 -1.407 4.721 14.480 341 1HB GLN 47 1HB GLN 47 0.812 5.317 16.462 342 2HB GLN 47 2HB GLN 47 0.572 6.258 14.984 343 1HG GLN 47 1HG GLN 47 -1.661 5.833 16.975 344 2HG GLN 47 2HG GLN 47 -0.497 7.156 17.152 345 1HE2 GLN 47 2HE2 GLN 47 -0.862 9.089 15.913 346 2HE2 GLN 47 1HE2 GLN 47 -2.187 9.215 14.778 347 H GLU 48 H GLU 48 -1.016 2.391 13.498 348 HA GLU 48 HA GLU 48 1.576 2.441 12.110 349 1HB GLU 48 1HB GLU 48 1.951 0.872 13.927 350 2HB GLU 48 2HB GLU 48 0.356 0.156 13.727 351 1HG GLU 48 1HG GLU 48 1.936 -1.343 12.903 352 2HG GLU 48 2HG GLU 48 1.022 -0.723 11.533 353 H TYR 49 H TYR 49 1.381 1.355 10.029 354 HA TYR 49 HA TYR 49 -1.418 0.867 9.101 355 1HB TYR 49 1HB TYR 49 0.872 2.100 7.579 356 2HB TYR 49 2HB TYR 49 -0.664 1.577 6.857 357 HD1 TYR 49 HD1 TYR 49 -2.815 2.596 8.179 358 HD2 TYR 49 HD2 TYR 49 1.053 4.428 7.765 359 HE1 TYR 49 HE1 TYR 49 -3.829 4.800 8.657 360 HE2 TYR 49 HE2 TYR 49 0.032 6.654 8.064 361 HH TYR 49 HH TYR 49 -2.916 7.218 9.472 362 H VAL 50 H VAL 50 -1.572 -0.630 7.278 363 HA VAL 50 HA VAL 50 0.503 -2.733 7.115 364 HB VAL 50 HB VAL 50 -2.457 -3.031 7.742 365 1HG1 VAL 50 1HG1 VAL 50 -1.977 -4.689 5.977 366 2HG1 VAL 50 2HG1 VAL 50 -0.566 -5.249 6.888 367 3HG1 VAL 50 3HG1 VAL 50 -2.203 -5.480 7.539 368 1HG2 VAL 50 1HG2 VAL 50 -1.700 -4.458 9.595 369 2HG2 VAL 50 2HG2 VAL 50 -0.042 -4.207 9.081 370 3HG2 VAL 50 3HG2 VAL 50 -0.994 -2.828 9.709 371 H LEU 51 H LEU 51 0.923 -3.120 5.031 372 HA LEU 51 HA LEU 51 -0.749 -2.127 2.866 373 1HB LEU 51 1HB LEU 51 1.863 -2.234 2.963 374 2HB LEU 51 2HB LEU 51 1.716 -3.965 2.858 375 HG LEU 51 HG LEU 51 0.753 -3.785 0.609 376 1HD1 LEU 51 1HD1 LEU 51 0.741 -1.501 -0.516 377 2HD1 LEU 51 2HD1 LEU 51 0.965 -0.779 1.096 378 3HD1 LEU 51 3HD1 LEU 51 -0.515 -1.689 0.715 379 1HD2 LEU 51 1HD2 LEU 51 2.771 -2.989 -0.467 380 2HD2 LEU 51 2HD2 LEU 51 3.263 -3.681 1.099 381 3HD2 LEU 51 3HD2 LEU 51 3.165 -1.932 0.913 382 H SER 52 H SER 52 -2.401 -3.310 2.089 383 HA SER 52 HA SER 52 -2.339 -6.241 2.593 384 1HB SER 52 1HB SER 52 -4.897 -4.701 2.336 385 2HB SER 52 2HB SER 52 -4.592 -6.287 3.065 386 HG SER 52 HG SER 52 -3.477 -3.886 4.032 387 H VAL 53 H VAL 53 -2.110 -7.358 0.683 388 HA VAL 53 HA VAL 53 -2.980 -6.113 -1.835 389 HB VAL 53 HB VAL 53 -0.820 -5.187 -1.490 390 1HG1 VAL 53 1HG1 VAL 53 0.223 -7.961 -0.858 391 2HG1 VAL 53 2HG1 VAL 53 1.205 -6.502 -1.092 392 3HG1 VAL 53 3HG1 VAL 53 0.095 -6.587 0.266 393 1HG2 VAL 53 1HG2 VAL 53 -0.414 -7.548 -3.372 394 2HG2 VAL 53 2HG2 VAL 53 -1.285 -6.062 -3.787 395 3HG2 VAL 53 3HG2 VAL 53 0.439 -5.996 -3.397 396 H LEU 54 H LEU 54 -3.560 -7.601 -3.356 397 HA LEU 54 HA LEU 54 -3.828 -10.362 -2.339 398 1HB LEU 54 1HB LEU 54 -5.783 -9.062 -2.943 399 2HB LEU 54 2HB LEU 54 -5.194 -8.845 -4.586 400 HG LEU 54 HG LEU 54 -5.562 -11.210 -5.048 401 1HD1 LEU 54 1HD1 LEU 54 -6.557 -12.749 -3.422 402 2HD1 LEU 54 2HD1 LEU 54 -6.324 -11.538 -2.151 403 3HD1 LEU 54 3HD1 LEU 54 -4.917 -12.277 -2.975 404 1HD2 LEU 54 1HD2 LEU 54 -7.891 -11.275 -4.983 405 2HD2 LEU 54 2HD2 LEU 54 -7.430 -9.580 -5.125 406 3HD2 LEU 54 3HD2 LEU 54 -7.930 -10.248 -3.542 407 H TRP 55 H TRP 55 -2.378 -11.833 -2.953 408 HA TRP 55 HA TRP 55 -1.203 -11.620 -5.674 409 1HB TRP 55 1HB TRP 55 0.174 -10.688 -3.634 410 2HB TRP 55 2HB TRP 55 0.363 -12.377 -3.202 411 HD1 TRP 55 HD1 TRP 55 2.604 -13.244 -3.993 412 HE1 TRP 55 HE1 TRP 55 4.301 -12.689 -5.853 413 HE3 TRP 55 HE3 TRP 55 -0.188 -9.846 -6.599 414 HZ2 TRP 55 HZ2 TRP 55 4.508 -10.706 -8.020 415 HZ3 TRP 55 HZ3 TRP 55 0.726 -8.790 -8.626 416 HH2 TRP 55 HH2 TRP 55 3.094 -9.170 -9.297 417 H ASP 56 H ASP 56 -1.507 -13.478 -6.731 418 HA ASP 56 HA ASP 56 -1.928 -15.652 -7.211 419 1HB ASP 56 1HB ASP 56 0.121 -15.832 -4.991 420 2HB ASP 56 2HB ASP 56 -0.533 -17.291 -5.682 421 H GLY 57 H GLY 57 -3.843 -14.330 -5.397 422 1HA GLY 57 1HA GLY 57 -5.950 -15.111 -4.756 423 2HA GLY 57 2HA GLY 57 -5.323 -16.745 -4.578 424 H LEU 58 H LEU 58 -3.178 -14.629 -2.986 425 HA LEU 58 HA LEU 58 -4.588 -15.049 -0.401 426 1HB LEU 58 1HB LEU 58 -2.545 -16.431 -0.914 427 2HB LEU 58 2HB LEU 58 -1.622 -14.935 -0.805 428 HG LEU 58 HG LEU 58 -1.404 -16.203 1.197 429 1HD1 LEU 58 1HD1 LEU 58 -3.226 -13.916 1.976 430 2HD1 LEU 58 2HD1 LEU 58 -1.575 -13.683 1.352 431 3HD1 LEU 58 3HD1 LEU 58 -1.840 -14.588 2.844 432 1HD2 LEU 58 1HD2 LEU 58 -3.228 -16.789 2.686 433 2HD2 LEU 58 2HD2 LEU 58 -3.503 -17.496 1.086 434 3HD2 LEU 58 3HD2 LEU 58 -4.419 -16.063 1.594 435 HA PRO 59 HA PRO 59 -4.110 -10.456 -0.352 436 1HB PRO 59 1HB PRO 59 -5.915 -10.018 1.631 437 2HB PRO 59 2HB PRO 59 -6.371 -10.252 -0.084 438 1HG PRO 59 1HG PRO 59 -6.381 -12.296 2.141 439 2HG PRO 59 2HG PRO 59 -7.620 -11.982 0.832 440 1HD PRO 59 1HD PRO 59 -5.706 -13.964 0.897 441 2HD PRO 59 2HD PRO 59 -6.443 -13.326 -0.600 442 H ARG 60 H ARG 60 -2.015 -10.682 0.315 443 HA ARG 60 HA ARG 60 -1.140 -11.501 2.955 444 1HB ARG 60 1HB ARG 60 0.104 -9.623 0.902 445 2HB ARG 60 2HB ARG 60 0.956 -10.309 2.281 446 1HG ARG 60 1HG ARG 60 -0.272 -12.095 0.123 447 2HG ARG 60 2HG ARG 60 1.313 -11.382 -0.067 448 1HD ARG 60 1HD ARG 60 2.119 -12.441 1.986 449 2HD ARG 60 2HD ARG 60 0.502 -13.056 2.353 450 HE ARG 60 HE ARG 60 1.052 -14.077 -0.161 451 1HH1 ARG 60 2HH1 ARG 60 2.824 -14.235 2.985 452 2HH1 ARG 60 1HH1 ARG 60 3.328 -15.869 2.661 453 1HH2 ARG 60 2HH2 ARG 60 1.731 -16.281 -0.401 454 2HH2 ARG 60 1HH2 ARG 60 2.799 -16.988 0.762 455 H HIS 61 H HIS 61 -0.283 -10.001 4.591 456 HA HIS 61 HA HIS 61 -1.394 -7.263 4.585 457 1HB HIS 61 1HB HIS 61 -2.326 -7.650 6.811 458 2HB HIS 61 2HB HIS 61 -3.112 -8.604 5.560 459 HD1 HIS 61 HD1 HIS 61 -0.489 -9.094 8.311 460 HD2 HIS 61 HD2 HIS 61 -3.069 -11.264 5.862 461 HE1 HIS 61 HE1 HIS 61 -0.491 -11.474 9.253 462 H PHE 62 H PHE 62 0.998 -7.236 4.077 463 HA PHE 62 HA PHE 62 2.936 -7.584 6.199 464 1HB PHE 62 1HB PHE 62 3.170 -5.756 3.774 465 2HB PHE 62 2HB PHE 62 4.474 -6.436 4.730 466 HD1 PHE 62 HD1 PHE 62 2.224 -6.907 1.926 467 HD2 PHE 62 HD2 PHE 62 4.906 -8.968 4.600 468 HE1 PHE 62 HE1 PHE 62 2.398 -8.763 0.315 469 HE2 PHE 62 HE2 PHE 62 5.035 -10.870 3.000 470 HZ PHE 62 HZ PHE 62 3.782 -10.787 0.862 471 H ILE 63 H ILE 63 3.274 -6.209 7.831 472 HA ILE 63 HA ILE 63 1.948 -3.667 8.210 473 HB ILE 63 HB ILE 63 4.353 -4.980 9.452 474 1HG1 ILE 63 1HG1 ILE 63 1.841 -5.498 9.936 475 2HG1 ILE 63 2HG1 ILE 63 2.964 -5.293 11.268 476 1HG2 ILE 63 1HG2 ILE 63 3.503 -2.099 9.858 477 2HG2 ILE 63 2HG2 ILE 63 4.280 -3.035 11.147 478 3HG2 ILE 63 3HG2 ILE 63 5.133 -2.780 9.638 479 1HD1 ILE 63 1HD1 ILE 63 2.067 -3.260 11.939 480 2HD1 ILE 63 2HD1 ILE 63 1.316 -2.915 10.377 481 3HD1 ILE 63 3HD1 ILE 63 0.623 -4.148 11.416 482 H ILE 64 H ILE 64 2.572 -1.550 7.745 483 HA ILE 64 HA ILE 64 4.131 -1.170 5.380 484 HB ILE 64 HB ILE 64 2.828 0.690 7.389 485 1HG1 ILE 64 1HG1 ILE 64 1.375 -0.637 5.864 486 2HG1 ILE 64 2HG1 ILE 64 1.215 1.101 5.675 487 1HG2 ILE 64 1HG2 ILE 64 4.396 1.593 4.964 488 2HG2 ILE 64 2HG2 ILE 64 3.117 2.539 5.736 489 3HG2 ILE 64 3HG2 ILE 64 4.541 2.117 6.664 490 1HD1 ILE 64 1HD1 ILE 64 2.865 -0.613 3.837 491 2HD1 ILE 64 2HD1 ILE 64 1.201 -0.042 3.541 492 3HD1 ILE 64 3HD1 ILE 64 2.538 1.115 3.702 493 H GLN 65 H GLN 65 5.901 0.427 5.364 494 HA GLN 65 HA GLN 65 8.054 -0.654 6.952 495 1HB GLN 65 1HB GLN 65 8.200 1.766 5.152 496 2HB GLN 65 2HB GLN 65 9.398 0.594 5.536 497 1HG GLN 65 1HG GLN 65 8.714 0.245 3.256 498 2HG GLN 65 2HG GLN 65 7.983 -1.080 4.148 499 1HE2 GLN 65 2HE2 GLN 65 7.458 1.995 2.359 500 2HE2 GLN 65 1HE2 GLN 65 5.752 1.699 2.094 501 H SER 66 H SER 66 9.554 0.855 8.146 502 HA SER 66 HA SER 66 8.967 3.529 8.776 503 1HB SER 66 1HB SER 66 7.018 2.653 10.007 504 2HB SER 66 2HB SER 66 8.043 1.467 10.785 505 HG SER 66 HG SER 66 7.487 3.341 12.027 506 H LEU 67 H LEU 67 10.918 4.228 9.481 507 HA LEU 67 HA LEU 67 12.721 2.421 10.960 508 1HB LEU 67 1HB LEU 67 14.694 3.354 9.706 509 2HB LEU 67 2HB LEU 67 13.766 2.095 8.924 510 HG LEU 67 HG LEU 67 13.201 5.029 8.273 511 1HD1 LEU 67 1HD1 LEU 67 15.642 4.629 7.991 512 2HD1 LEU 67 2HD1 LEU 67 14.826 4.836 6.436 513 3HD1 LEU 67 3HD1 LEU 67 15.295 3.211 6.981 514 1HD2 LEU 67 1HD2 LEU 67 12.639 2.368 7.032 515 2HD2 LEU 67 2HD2 LEU 67 12.762 3.807 5.974 516 3HD2 LEU 67 3HD2 LEU 67 11.554 3.712 7.257 517 H ASP 68 H ASP 68 12.540 5.851 9.772 518 HA ASP 68 HA ASP 68 12.900 6.634 12.613 519 1HB ASP 68 1HB ASP 68 14.806 7.218 10.376 520 2HB ASP 68 2HB ASP 68 14.448 8.530 11.492 521 H ASN 69 H ASN 69 12.674 8.031 9.321 522 HA ASN 69 HA ASN 69 10.161 9.367 9.943 523 1HB ASN 69 1HB ASN 69 11.919 10.978 10.718 524 2HB ASN 69 2HB ASN 69 12.631 10.943 9.091 525 1HD2 ASN 69 2HD2 ASN 69 12.079 12.922 8.120 526 2HD2 ASN 69 1HD2 ASN 69 10.445 13.576 8.168 527 H LEU 70 H LEU 70 11.071 7.175 8.290 528 HA LEU 70 HA LEU 70 10.273 8.099 5.645 529 1HB LEU 70 1HB LEU 70 12.674 6.268 5.902 530 2HB LEU 70 2HB LEU 70 12.086 7.019 4.458 531 HG LEU 70 HG LEU 70 13.198 8.786 6.655 532 1HD1 LEU 70 1HD1 LEU 70 15.422 8.503 5.597 533 2HD1 LEU 70 2HD1 LEU 70 14.779 7.121 4.693 534 3HD1 LEU 70 3HD1 LEU 70 14.799 7.098 6.489 535 1HD2 LEU 70 1HD2 LEU 70 13.838 10.188 4.740 536 2HD2 LEU 70 2HD2 LEU 70 12.094 9.883 4.764 537 3HD2 LEU 70 3HD2 LEU 70 13.131 9.006 3.615 538 H TYR 71 H TYR 71 10.209 5.983 4.218 539 HA TYR 71 HA TYR 71 9.285 3.617 5.783 540 1HB TYR 71 1HB TYR 71 7.859 4.841 3.350 541 2HB TYR 71 2HB TYR 71 7.262 3.556 4.380 542 HD1 TYR 71 HD1 TYR 71 7.619 7.164 3.945 543 HD2 TYR 71 HD2 TYR 71 6.412 4.078 6.677 544 HE1 TYR 71 HE1 TYR 71 6.489 8.852 5.344 545 HE2 TYR 71 HE2 TYR 71 5.235 5.728 8.062 546 HH TYR 71 HH TYR 71 5.335 9.240 7.257 547 H ARG 72 H ARG 72 10.638 1.888 4.946 548 HA ARG 72 HA ARG 72 11.350 1.884 2.050 549 1HB ARG 72 1HB ARG 72 13.635 1.250 2.619 550 2HB ARG 72 2HB ARG 72 13.226 2.764 3.417 551 1HG ARG 72 1HG ARG 72 14.170 1.785 5.226 552 2HG ARG 72 2HG ARG 72 12.561 1.077 5.414 553 1HD ARG 72 1HD ARG 72 13.940 -0.718 5.700 554 2HD ARG 72 2HD ARG 72 13.415 -0.893 4.023 555 HE ARG 72 HE ARG 72 15.835 0.686 4.241 556 1HH1 ARG 72 2HH1 ARG 72 14.817 -2.702 4.449 557 2HH1 ARG 72 1HH1 ARG 72 16.365 -3.328 4.009 558 1HH2 ARG 72 2HH2 ARG 72 17.779 -0.007 3.891 559 2HH2 ARG 72 1HH2 ARG 72 18.230 -1.693 3.875 560 H LEU 73 H LEU 73 11.238 -0.241 1.078 561 HA LEU 73 HA LEU 73 10.535 -2.459 2.972 562 1HB LEU 73 1HB LEU 73 8.629 -1.359 1.691 563 2HB LEU 73 2HB LEU 73 9.321 -2.059 0.227 564 HG LEU 73 HG LEU 73 8.972 -4.255 0.902 565 1HD1 LEU 73 1HD1 LEU 73 9.189 -4.111 3.442 566 2HD1 LEU 73 2HD1 LEU 73 7.656 -4.843 2.949 567 3HD1 LEU 73 3HD1 LEU 73 7.684 -3.167 3.477 568 1HD2 LEU 73 1HD2 LEU 73 6.636 -2.414 1.209 569 2HD2 LEU 73 2HD2 LEU 73 6.560 -4.155 0.880 570 3HD2 LEU 73 3HD2 LEU 73 7.416 -3.081 -0.265 571 H GLU 74 H GLU 74 12.177 -1.539 0.033 572 HA GLU 74 HA GLU 74 13.588 -4.091 0.318 573 1HB GLU 74 1HB GLU 74 12.357 -4.450 -1.693 574 2HB GLU 74 2HB GLU 74 12.888 -2.909 -2.374 575 1HG GLU 74 1HG GLU 74 14.824 -3.745 -3.107 576 2HG GLU 74 2HG GLU 74 15.209 -4.493 -1.567 577 H GLY 75 H GLY 75 13.901 -1.044 -1.623 578 1HA GLY 75 1HA GLY 75 16.762 -1.213 -1.420 579 2HA GLY 75 2HA GLY 75 15.799 -0.137 -2.415 580 H GLU 76 H GLU 76 14.776 1.648 -1.299 581 HA GLU 76 HA GLU 76 16.269 2.781 0.989 582 1HB GLU 76 1HB GLU 76 16.844 4.658 -0.192 583 2HB GLU 76 2HB GLU 76 16.997 3.383 -1.425 584 1HG GLU 76 1HG GLU 76 14.795 3.994 -2.363 585 2HG GLU 76 2HG GLU 76 14.635 5.296 -1.178 586 H GLY 77 H GLY 77 15.081 5.028 1.526 587 1HA GLY 77 1HA GLY 77 12.196 4.398 1.762 588 2HA GLY 77 2HA GLY 77 13.171 5.068 3.079 589 H PHE 78 H PHE 78 10.831 6.265 2.148 590 HA PHE 78 HA PHE 78 11.857 8.840 1.063 591 1HB PHE 78 1HB PHE 78 9.491 7.235 -0.001 592 2HB PHE 78 2HB PHE 78 9.382 8.909 0.025 593 HD1 PHE 78 HD1 PHE 78 9.962 10.101 -1.872 594 HD2 PHE 78 HD2 PHE 78 12.139 6.480 -0.983 595 HE1 PHE 78 HE1 PHE 78 11.137 10.248 -4.039 596 HE2 PHE 78 HE2 PHE 78 13.450 6.768 -3.060 597 HZ PHE 78 HZ PHE 78 12.912 8.624 -4.624 598 HA PRO 79 HA PRO 79 9.926 10.669 4.478 599 1HB PRO 79 1HB PRO 79 8.859 13.034 3.499 600 2HB PRO 79 2HB PRO 79 10.624 12.721 3.639 601 1HG PRO 79 1HG PRO 79 8.810 12.376 1.234 602 2HG PRO 79 2HG PRO 79 10.379 13.236 1.300 603 1HD PRO 79 1HD PRO 79 10.179 10.708 0.407 604 2HD PRO 79 2HD PRO 79 11.569 11.166 1.431 605 H SER 80 H SER 80 7.799 9.718 1.883 606 HA SER 80 HA SER 80 5.402 9.926 3.618 607 1HB SER 80 1HB SER 80 5.212 10.435 0.683 608 2HB SER 80 2HB SER 80 4.190 11.013 1.925 609 HG SER 80 HG SER 80 5.706 12.558 2.548 610 H ILE 81 H ILE 81 3.863 8.266 3.076 611 HA ILE 81 HA ILE 81 5.026 5.793 2.098 612 HB ILE 81 HB ILE 81 2.216 6.590 2.961 613 1HG1 ILE 81 1HG1 ILE 81 4.214 4.599 4.147 614 2HG1 ILE 81 2HG1 ILE 81 4.194 6.294 4.632 615 1HG2 ILE 81 1HG2 ILE 81 3.207 3.865 2.058 616 2HG2 ILE 81 2HG2 ILE 81 1.642 4.185 2.830 617 3HG2 ILE 81 3HG2 ILE 81 1.977 4.848 1.243 618 1HD1 ILE 81 1HD1 ILE 81 3.037 4.875 6.251 619 2HD1 ILE 81 2HD1 ILE 81 1.969 6.100 5.560 620 3HD1 ILE 81 3HD1 ILE 81 1.848 4.400 5.035 621 HA PRO 82 HA PRO 82 2.186 6.587 -1.607 622 1HB PRO 82 1HB PRO 82 1.527 9.172 -2.370 623 2HB PRO 82 2HB PRO 82 0.530 8.130 -1.317 624 1HG PRO 82 1HG PRO 82 2.381 10.316 -0.497 625 2HG PRO 82 2HG PRO 82 0.799 9.904 0.203 626 1HD PRO 82 1HD PRO 82 3.031 9.203 1.380 627 2HD PRO 82 2HD PRO 82 1.589 8.170 1.458 628 H LEU 83 H LEU 83 4.713 8.970 -0.876 629 HA LEU 83 HA LEU 83 5.726 9.247 -3.519 630 1HB LEU 83 1HB LEU 83 6.773 9.790 -0.708 631 2HB LEU 83 2HB LEU 83 7.826 9.867 -2.103 632 HG LEU 83 HG LEU 83 6.367 11.484 -3.196 633 1HD1 LEU 83 1HD1 LEU 83 4.248 11.033 -1.803 634 2HD1 LEU 83 2HD1 LEU 83 4.626 12.655 -2.302 635 3HD1 LEU 83 3HD1 LEU 83 4.950 12.180 -0.644 636 1HD2 LEU 83 1HD2 LEU 83 7.407 12.359 -0.486 637 2HD2 LEU 83 2HD2 LEU 83 7.118 13.411 -1.885 638 3HD2 LEU 83 3HD2 LEU 83 8.376 12.169 -1.964 639 H LEU 84 H LEU 84 5.842 6.595 -1.297 640 HA LEU 84 HA LEU 84 8.197 5.419 -2.627 641 1HB LEU 84 1HB LEU 84 7.609 5.451 -0.006 642 2HB LEU 84 2HB LEU 84 6.636 4.022 -0.507 643 HG LEU 84 HG LEU 84 8.599 3.100 0.251 644 1HD1 LEU 84 1HD1 LEU 84 9.371 3.488 -2.669 645 2HD1 LEU 84 2HD1 LEU 84 8.235 2.265 -2.079 646 3HD1 LEU 84 3HD1 LEU 84 9.957 2.232 -1.589 647 1HD2 LEU 84 1HD2 LEU 84 10.231 5.229 -1.128 648 2HD2 LEU 84 2HD2 LEU 84 10.849 3.915 -0.092 649 3HD2 LEU 84 3HD2 LEU 84 9.807 5.153 0.606 650 H ILE 85 H ILE 85 4.705 4.937 -2.160 651 HA ILE 85 HA ILE 85 4.428 2.475 -3.395 652 HB ILE 85 HB ILE 85 2.607 4.906 -3.338 653 1HG1 ILE 85 1HG1 ILE 85 3.010 3.785 -1.177 654 2HG1 ILE 85 2HG1 ILE 85 1.338 3.643 -1.686 655 1HG2 ILE 85 1HG2 ILE 85 1.840 3.795 -5.305 656 2HG2 ILE 85 2HG2 ILE 85 1.946 2.202 -4.545 657 3HG2 ILE 85 3HG2 ILE 85 0.718 3.373 -4.006 658 1HD1 ILE 85 1HD1 ILE 85 1.767 1.314 -2.445 659 2HD1 ILE 85 2HD1 ILE 85 3.458 1.458 -1.863 660 3HD1 ILE 85 3HD1 ILE 85 2.113 1.531 -0.752 661 H ASP 86 H ASP 86 4.735 5.619 -5.082 662 HA ASP 86 HA ASP 86 4.173 4.604 -7.694 663 1HB ASP 86 1HB ASP 86 4.302 6.943 -7.305 664 2HB ASP 86 2HB ASP 86 5.951 6.862 -6.696 665 H HIS 87 H HIS 87 7.244 4.890 -5.967 666 HA HIS 87 HA HIS 87 8.841 3.835 -8.116 667 1HB HIS 87 1HB HIS 87 9.414 4.289 -5.170 668 2HB HIS 87 2HB HIS 87 10.614 3.818 -6.343 669 HD1 HIS 87 HD1 HIS 87 11.890 5.696 -7.455 670 HD2 HIS 87 HD2 HIS 87 8.174 6.891 -5.914 671 HE1 HIS 87 HE1 HIS 87 11.918 8.272 -7.406 672 H LEU 88 H LEU 88 6.659 2.186 -6.027 673 HA LEU 88 HA LEU 88 8.039 -0.409 -6.412 674 1HB LEU 88 1HB LEU 88 5.676 0.611 -4.815 675 2HB LEU 88 2HB LEU 88 5.904 -1.093 -5.131 676 HG LEU 88 HG LEU 88 6.959 0.650 -3.170 677 1HD1 LEU 88 1HD1 LEU 88 7.888 -1.537 -2.244 678 2HD1 LEU 88 2HD1 LEU 88 7.716 -2.239 -3.870 679 3HD1 LEU 88 3HD1 LEU 88 6.263 -1.770 -2.948 680 1HD2 LEU 88 1HD2 LEU 88 9.370 0.062 -3.014 681 2HD2 LEU 88 2HD2 LEU 88 8.997 1.211 -4.273 682 3HD2 LEU 88 3HD2 LEU 88 9.324 -0.503 -4.686 683 H LEU 89 H LEU 89 5.152 1.533 -7.193 684 HA LEU 89 HA LEU 89 3.784 -0.590 -8.464 685 1HB LEU 89 1HB LEU 89 3.125 1.868 -7.514 686 2HB LEU 89 2HB LEU 89 3.106 2.245 -9.223 687 HG LEU 89 HG LEU 89 1.740 -0.250 -8.237 688 1HD1 LEU 89 1HD1 LEU 89 1.017 1.277 -6.583 689 2HD1 LEU 89 2HD1 LEU 89 -0.319 1.108 -7.740 690 3HD1 LEU 89 3HD1 LEU 89 0.703 2.558 -7.787 691 1HD2 LEU 89 1HD2 LEU 89 1.675 0.200 -10.623 692 2HD2 LEU 89 2HD2 LEU 89 0.889 1.776 -10.288 693 3HD2 LEU 89 3HD2 LEU 89 0.066 0.257 -9.859 694 H SER 90 H SER 90 5.820 2.031 -9.790 695 HA SER 90 HA SER 90 5.104 1.124 -12.474 696 1HB SER 90 1HB SER 90 5.534 3.569 -11.640 697 2HB SER 90 2HB SER 90 7.247 3.179 -11.859 698 HG SER 90 HG SER 90 5.166 3.466 -13.731 699 H THR 91 H THR 91 7.553 0.364 -10.116 700 HA THR 91 HA THR 91 9.590 -0.459 -12.059 701 HB THR 91 HB THR 91 10.896 -0.842 -9.974 702 HG1 THR 91 HG1 THR 91 9.570 0.217 -8.119 703 1HG2 THR 91 1HG2 THR 91 10.781 1.463 -10.998 704 2HG2 THR 91 2HG2 THR 91 11.078 1.462 -9.253 705 3HG2 THR 91 3HG2 THR 91 9.461 1.852 -9.872 706 H GLN 92 H GLN 92 7.175 -1.747 -9.922 707 HA GLN 92 HA GLN 92 6.289 -3.829 -9.629 708 1HB GLN 92 1HB GLN 92 7.895 -4.820 -12.025 709 2HB GLN 92 2HB GLN 92 6.526 -5.606 -11.282 710 1HG GLN 92 1HG GLN 92 6.304 -2.834 -12.577 711 2HG GLN 92 2HG GLN 92 6.088 -4.342 -13.451 712 1HE2 GLN 92 2HE2 GLN 92 4.661 -2.271 -10.895 713 2HE2 GLN 92 1HE2 GLN 92 3.365 -3.293 -10.476 714 H GLN 93 H GLN 93 8.489 -2.873 -8.311 715 HA GLN 93 HA GLN 93 10.504 -4.877 -7.744 716 1HB GLN 93 1HB GLN 93 9.625 -2.247 -6.641 717 2HB GLN 93 2HB GLN 93 10.220 -3.347 -5.415 718 1HG GLN 93 1HG GLN 93 12.346 -3.628 -6.576 719 2HG GLN 93 2HG GLN 93 11.766 -2.625 -7.918 720 1HE2 GLN 93 2HE2 GLN 93 13.038 -0.732 -7.718 721 2HE2 GLN 93 1HE2 GLN 93 12.915 0.281 -6.296 722 HA PRO 94 HA PRO 94 8.132 -7.318 -4.947 723 1HB PRO 94 1HB PRO 94 10.007 -8.555 -3.373 724 2HB PRO 94 2HB PRO 94 9.818 -8.934 -5.103 725 1HG PRO 94 1HG PRO 94 11.776 -7.019 -3.793 726 2HG PRO 94 2HG PRO 94 12.114 -8.252 -5.047 727 1HD PRO 94 1HD PRO 94 11.695 -5.582 -5.617 728 2HD PRO 94 2HD PRO 94 11.235 -6.885 -6.742 729 H LEU 95 H LEU 95 7.352 -7.466 -2.879 730 HA LEU 95 HA LEU 95 7.866 -5.244 -1.011 731 1HB LEU 95 1HB LEU 95 5.860 -7.519 -0.841 732 2HB LEU 95 2HB LEU 95 5.909 -6.100 0.173 733 HG LEU 95 HG LEU 95 5.166 -6.219 -2.747 734 1HD1 LEU 95 1HD1 LEU 95 3.479 -6.812 -1.089 735 2HD1 LEU 95 2HD1 LEU 95 3.067 -5.296 -1.923 736 3HD1 LEU 95 3HD1 LEU 95 3.731 -5.277 -0.269 737 1HD2 LEU 95 1HD2 LEU 95 6.617 -4.243 -2.436 738 2HD2 LEU 95 2HD2 LEU 95 5.494 -3.675 -1.168 739 3HD2 LEU 95 3HD2 LEU 95 4.946 -3.854 -2.849 740 H THR 96 H THR 96 8.714 -8.669 -1.262 741 HA THR 96 HA THR 96 10.455 -8.248 0.963 742 HB THR 96 HB THR 96 8.848 -8.987 2.472 743 HG1 THR 96 HG1 THR 96 10.261 -10.444 2.935 744 1HG2 THR 96 1HG2 THR 96 7.695 -10.735 0.302 745 2HG2 THR 96 2HG2 THR 96 6.926 -9.379 1.161 746 3HG2 THR 96 3HG2 THR 96 7.246 -10.880 2.025 747 H LYS 97 H LYS 97 12.216 -9.450 0.637 748 HA LYS 97 HA LYS 97 12.793 -10.615 -1.837 749 1HB LYS 97 1HB LYS 97 14.283 -9.739 0.194 750 2HB LYS 97 2HB LYS 97 14.196 -11.410 0.721 751 1HG LYS 97 1HG LYS 97 16.221 -11.143 -0.439 752 2HG LYS 97 2HG LYS 97 15.205 -12.089 -1.510 753 1HD LYS 97 1HD LYS 97 15.303 -9.067 -1.796 754 2HD LYS 97 2HD LYS 97 16.694 -9.993 -2.303 755 1HE LYS 97 1HE LYS 97 13.885 -10.229 -3.437 756 2HE LYS 97 2HE LYS 97 15.291 -9.502 -4.206 757 1HZ LYS 97 1HZ LYS 97 16.336 -11.788 -3.997 758 2HZ LYS 97 2HZ LYS 97 15.117 -11.634 -5.099 759 3HZ LYS 97 3HZ LYS 97 14.815 -12.362 -3.692 760 H LYS 98 H LYS 98 11.029 -12.013 0.781 761 HA LYS 98 HA LYS 98 11.360 -14.799 -0.169 762 1HB LYS 98 1HB LYS 98 9.443 -13.542 1.857 763 2HB LYS 98 2HB LYS 98 9.510 -15.260 1.433 764 1HG LYS 98 1HG LYS 98 10.818 -15.353 3.295 765 2HG LYS 98 2HG LYS 98 12.087 -14.941 2.133 766 1HD LYS 98 1HD LYS 98 11.440 -12.473 2.725 767 2HD LYS 98 2HD LYS 98 10.627 -13.206 4.114 768 1HE LYS 98 1HE LYS 98 12.991 -14.436 4.405 769 2HE LYS 98 2HE LYS 98 13.560 -13.142 3.323 770 1HZ LYS 98 1HZ LYS 98 12.547 -11.576 5.023 771 2HZ LYS 98 2HZ LYS 98 13.880 -12.400 5.526 772 3HZ LYS 98 3HZ LYS 98 12.425 -12.880 6.040 773 H SER 99 H SER 99 8.484 -12.764 0.413 774 HA SER 99 HA SER 99 7.126 -14.569 -1.131 775 1HB SER 99 1HB SER 99 5.987 -11.967 -0.075 776 2HB SER 99 2HB SER 99 5.141 -13.488 -0.324 777 HG SER 99 HG SER 99 6.254 -14.423 1.318 778 H GLY 100 H GLY 100 8.722 -11.827 -2.292 779 1HA GLY 100 1HA GLY 100 8.907 -10.798 -4.245 780 2HA GLY 100 2HA GLY 100 8.271 -12.261 -4.937 781 H VAL 101 H VAL 101 5.999 -10.662 -2.950 782 HA VAL 101 HA VAL 101 4.032 -10.099 -4.829 783 HB VAL 101 HB VAL 101 4.574 -8.598 -2.254 784 1HG1 VAL 101 1HG1 VAL 101 1.994 -9.168 -3.737 785 2HG1 VAL 101 2HG1 VAL 101 2.104 -8.495 -2.091 786 3HG1 VAL 101 3HG1 VAL 101 2.771 -7.593 -3.438 787 1HG2 VAL 101 1HG2 VAL 101 4.745 -10.745 -1.481 788 2HG2 VAL 101 2HG2 VAL 101 3.061 -10.339 -1.196 789 3HG2 VAL 101 3HG2 VAL 101 3.472 -11.376 -2.573 790 H VAL 102 H VAL 102 3.488 -8.217 -6.110 791 HA VAL 102 HA VAL 102 5.182 -5.845 -5.684 792 HB VAL 102 HB VAL 102 5.760 -5.617 -7.884 793 1HG1 VAL 102 1HG1 VAL 102 5.751 -8.619 -7.756 794 2HG1 VAL 102 2HG1 VAL 102 6.770 -7.569 -8.739 795 3HG1 VAL 102 3HG1 VAL 102 6.958 -7.547 -6.988 796 1HG2 VAL 102 1HG2 VAL 102 3.844 -5.578 -9.110 797 2HG2 VAL 102 2HG2 VAL 102 4.713 -6.954 -9.788 798 3HG2 VAL 102 3HG2 VAL 102 3.392 -7.206 -8.619 799 H LEU 103 H LEU 103 4.051 -3.890 -6.785 800 HA LEU 103 HA LEU 103 1.178 -3.912 -6.071 801 1HB LEU 103 1HB LEU 103 3.051 -1.592 -6.660 802 2HB LEU 103 2HB LEU 103 1.428 -1.497 -6.002 803 HG LEU 103 HG LEU 103 3.978 -2.452 -4.650 804 1HD1 LEU 103 1HD1 LEU 103 3.475 -0.625 -3.121 805 2HD1 LEU 103 2HD1 LEU 103 1.924 -0.317 -3.950 806 3HD1 LEU 103 3HD1 LEU 103 3.459 -0.014 -4.785 807 1HD2 LEU 103 1HD2 LEU 103 2.591 -2.894 -2.629 808 2HD2 LEU 103 2HD2 LEU 103 2.206 -4.022 -3.927 809 3HD2 LEU 103 3HD2 LEU 103 1.109 -2.665 -3.582 810 H HIS 104 H HIS 104 -0.400 -3.470 -7.563 811 HA HIS 104 HA HIS 104 0.483 -2.587 -10.294 812 1HB HIS 104 1HB HIS 104 -1.363 -4.818 -9.486 813 2HB HIS 104 2HB HIS 104 -1.259 -4.196 -11.087 814 HD1 HIS 104 HD1 HIS 104 0.801 -4.957 -12.595 815 HD2 HIS 104 HD2 HIS 104 0.587 -6.528 -8.692 816 HE1 HIS 104 HE1 HIS 104 2.294 -7.026 -12.547 817 H ARG 105 H ARG 105 -2.346 -3.053 -8.009 818 HA ARG 105 HA ARG 105 -3.749 -0.995 -9.584 819 1HB ARG 105 1HB ARG 105 -4.345 -3.491 -10.092 820 2HB ARG 105 2HB ARG 105 -5.151 -3.435 -8.537 821 1HG ARG 105 1HG ARG 105 -6.850 -2.886 -10.042 822 2HG ARG 105 2HG ARG 105 -6.378 -1.310 -9.436 823 1HD ARG 105 1HD ARG 105 -5.027 -0.892 -11.435 824 2HD ARG 105 2HD ARG 105 -5.279 -2.545 -12.007 825 HE ARG 105 HE ARG 105 -7.323 -0.386 -11.803 826 1HH1 ARG 105 2HH1 ARG 105 -6.330 -3.484 -13.319 827 2HH1 ARG 105 1HH1 ARG 105 -7.453 -3.334 -14.621 828 1HH2 ARG 105 2HH2 ARG 105 -9.054 -0.446 -13.327 829 2HH2 ARG 105 1HH2 ARG 105 -9.059 -1.632 -14.586 830 H ALA 106 H ALA 106 -5.126 0.347 -8.373 831 HA ALA 106 HA ALA 106 -4.976 0.045 -5.393 832 1HB ALA 106 1HB ALA 106 -3.502 1.800 -6.012 833 2HB ALA 106 2HB ALA 106 -4.642 2.459 -7.207 834 3HB ALA 106 3HB ALA 106 -5.008 2.583 -5.475 835 H VAL 107 H VAL 107 -6.951 -0.509 -4.706 836 HA VAL 107 HA VAL 107 -9.387 -0.087 -6.110 837 HB VAL 107 HB VAL 107 -9.624 -0.252 -3.172 838 1HG1 VAL 107 1HG1 VAL 107 -11.171 -2.020 -3.720 839 2HG1 VAL 107 2HG1 VAL 107 -11.421 -0.707 -4.861 840 3HG1 VAL 107 3HG1 VAL 107 -10.522 -2.152 -5.371 841 1HG2 VAL 107 1HG2 VAL 107 -8.923 -2.526 -2.906 842 2HG2 VAL 107 2HG2 VAL 107 -8.172 -2.540 -4.524 843 3HG2 VAL 107 3HG2 VAL 107 -7.543 -1.490 -3.215 844 HA PRO 108 HA PRO 108 -9.330 4.235 -5.077 845 1HB PRO 108 1HB PRO 108 -11.230 5.182 -6.723 846 2HB PRO 108 2HB PRO 108 -9.666 4.556 -7.325 847 1HG PRO 108 1HG PRO 108 -12.341 3.094 -7.231 848 2HG PRO 108 2HG PRO 108 -11.131 3.110 -8.555 849 1HD PRO 108 1HD PRO 108 -11.371 1.122 -6.651 850 2HD PRO 108 2HD PRO 108 -9.871 1.504 -7.547 851 H SER 109 H SER 109 -9.959 4.657 -3.078 852 HA SER 109 HA SER 109 -12.692 4.022 -2.156 853 1HB SER 109 1HB SER 109 -10.419 3.663 -0.896 854 2HB SER 109 2HB SER 109 -10.558 5.381 -0.497 855 HG SER 109 HG SER 109 -11.549 3.972 1.049 856 H GLY 110 H GLY 110 -11.032 6.741 -3.511 857 1HA GLY 110 1HA GLY 110 -11.764 8.980 -3.721 858 2HA GLY 110 2HA GLY 110 -12.948 8.727 -2.429 859 HA PRO 111 HA PRO 111 -8.780 10.282 -0.789 860 1HB PRO 111 1HB PRO 111 -9.341 12.888 -0.165 861 2HB PRO 111 2HB PRO 111 -8.848 12.356 -1.803 862 1HG PRO 111 1HG PRO 111 -11.656 12.876 -0.788 863 2HG PRO 111 2HG PRO 111 -10.905 13.423 -2.321 864 1HD PRO 111 1HD PRO 111 -12.510 11.206 -2.176 865 2HD PRO 111 2HD PRO 111 -11.122 11.309 -3.303 866 H SER 112 H SER 112 -12.098 11.049 0.427 867 HA SER 112 HA SER 112 -11.191 11.244 3.172 868 1HB SER 112 1HB SER 112 -14.069 10.953 2.226 869 2HB SER 112 2HB SER 112 -13.457 11.745 3.670 870 HG SER 112 HG SER 112 -14.076 13.220 2.029 871 H SER 113 H SER 113 -11.065 9.801 4.627 872 HA SER 113 HA SER 113 -12.694 7.381 4.626 873 1HB SER 113 1HB SER 113 -9.661 7.556 4.907 874 2HB SER 113 2HB SER 113 -10.623 6.183 5.461 875 HG SER 113 HG SER 113 -9.700 6.432 3.069 876 H GLY 114 H GLY 114 -12.749 6.552 6.911 877 1HA GLY 114 1HA GLY 114 -12.193 7.560 9.310 878 2HA GLY 114 2HA GLY 114 -13.277 8.822 8.683 Start of MODEL 7 1 1H GLY 1 H GLY 1 -18.659 7.775 -16.665 2 1HA GLY 1 1HA GLY 1 -16.836 8.648 -17.995 3 2HA GLY 1 2HA GLY 1 -17.605 10.246 -17.918 4 H SER 2 H SER 2 -15.344 8.172 -16.478 5 HA SER 2 HA SER 2 -15.309 9.673 -13.909 6 1HB SER 2 1HB SER 2 -15.014 6.683 -14.173 7 2HB SER 2 2HB SER 2 -15.398 7.613 -12.721 8 HG SER 2 HG SER 2 -17.274 6.663 -13.403 9 H SER 3 H SER 3 -13.473 8.931 -16.545 10 HA SER 3 HA SER 3 -11.189 7.701 -15.391 11 1HB SER 3 1HB SER 3 -10.758 9.049 -17.930 12 2HB SER 3 2HB SER 3 -10.780 7.323 -17.539 13 HG SER 3 HG SER 3 -12.456 8.596 -19.018 14 H GLY 4 H GLY 4 -8.961 8.850 -15.947 15 1HA GLY 4 1HA GLY 4 -8.806 11.705 -15.786 16 2HA GLY 4 2HA GLY 4 -8.298 10.913 -14.269 17 H SER 5 H SER 5 -6.265 12.213 -15.495 18 HA SER 5 HA SER 5 -4.537 9.998 -16.325 19 1HB SER 5 1HB SER 5 -4.559 12.509 -18.033 20 2HB SER 5 2HB SER 5 -3.760 10.953 -18.331 21 HG SER 5 HG SER 5 -5.997 10.090 -18.322 22 H SER 6 H SER 6 -4.125 10.490 -14.042 23 HA SER 6 HA SER 6 -2.274 12.742 -13.643 24 1HB SER 6 1HB SER 6 -4.721 12.199 -11.913 25 2HB SER 6 2HB SER 6 -3.478 13.428 -11.609 26 HG SER 6 HG SER 6 -5.641 13.757 -13.000 27 H GLY 7 H GLY 7 -1.569 12.420 -11.024 28 1HA GLY 7 1HA GLY 7 -1.159 9.620 -10.398 29 2HA GLY 7 2HA GLY 7 0.309 10.508 -10.888 30 H GLU 8 H GLU 8 -0.745 9.442 -8.205 31 HA GLU 8 HA GLU 8 -1.346 11.920 -6.750 32 1HB GLU 8 1HB GLU 8 -1.747 8.992 -6.011 33 2HB GLU 8 2HB GLU 8 -2.321 10.391 -5.095 34 1HG GLU 8 1HG GLU 8 -4.192 9.652 -6.270 35 2HG GLU 8 2HG GLU 8 -3.661 11.110 -7.068 36 H VAL 9 H VAL 9 1.414 10.454 -7.309 37 HA VAL 9 HA VAL 9 2.551 9.437 -5.118 38 HB VAL 9 HB VAL 9 4.048 11.263 -7.029 39 1HG1 VAL 9 1HG1 VAL 9 5.784 9.471 -6.891 40 2HG1 VAL 9 2HG1 VAL 9 5.437 10.276 -5.364 41 3HG1 VAL 9 3HG1 VAL 9 4.776 8.653 -5.662 42 1HG2 VAL 9 1HG2 VAL 9 4.176 9.219 -8.576 43 2HG2 VAL 9 2HG2 VAL 9 2.769 8.582 -7.702 44 3HG2 VAL 9 3HG2 VAL 9 2.670 10.116 -8.594 45 H GLN 10 H GLN 10 2.561 12.858 -6.085 46 HA GLN 10 HA GLN 10 4.158 13.558 -3.772 47 1HB GLN 10 1HB GLN 10 3.002 15.333 -5.911 48 2HB GLN 10 2HB GLN 10 4.333 15.727 -4.822 49 1HG GLN 10 1HG GLN 10 4.315 13.648 -7.053 50 2HG GLN 10 2HG GLN 10 5.100 15.204 -7.100 51 1HE2 GLN 10 2HE2 GLN 10 6.139 12.315 -7.280 52 2HE2 GLN 10 1HE2 GLN 10 7.481 12.330 -6.156 53 H LYS 11 H LYS 11 0.850 13.165 -4.281 54 HA LYS 11 HA LYS 11 -0.187 15.445 -2.713 55 1HB LYS 11 1HB LYS 11 -1.435 12.750 -3.501 56 2HB LYS 11 2HB LYS 11 -2.234 13.903 -2.498 57 1HG LYS 11 1HG LYS 11 -1.625 15.538 -4.612 58 2HG LYS 11 2HG LYS 11 -1.790 13.965 -5.429 59 1HD LYS 11 1HD LYS 11 -4.023 13.757 -4.068 60 2HD LYS 11 2HD LYS 11 -3.794 15.455 -3.683 61 1HE LYS 11 1HE LYS 11 -5.245 15.464 -5.509 62 2HE LYS 11 2HE LYS 11 -3.685 15.904 -6.215 63 1HZ LYS 11 1HZ LYS 11 -5.120 14.150 -7.356 64 2HZ LYS 11 2HZ LYS 11 -4.677 13.118 -6.182 65 3HZ LYS 11 3HZ LYS 11 -3.534 13.790 -7.207 66 HA PRO 12 HA PRO 12 0.430 13.739 1.328 67 1HB PRO 12 1HB PRO 12 -1.991 14.149 2.588 68 2HB PRO 12 2HB PRO 12 -0.757 15.403 2.351 69 1HG PRO 12 1HG PRO 12 -3.242 14.883 0.741 70 2HG PRO 12 2HG PRO 12 -2.570 16.461 1.266 71 1HD PRO 12 1HD PRO 12 -2.191 15.500 -1.245 72 2HD PRO 12 2HD PRO 12 -0.931 16.436 -0.434 73 H LEU 13 H LEU 13 -0.321 12.012 2.719 74 HA LEU 13 HA LEU 13 -1.240 9.677 1.335 75 1HB LEU 13 1HB LEU 13 0.318 9.849 3.236 76 2HB LEU 13 2HB LEU 13 -1.029 10.243 4.314 77 HG LEU 13 HG LEU 13 -1.129 7.657 2.709 78 1HD1 LEU 13 1HD1 LEU 13 1.136 7.883 3.854 79 2HD1 LEU 13 2HD1 LEU 13 0.139 6.507 4.399 80 3HD1 LEU 13 3HD1 LEU 13 0.288 7.975 5.393 81 1HD2 LEU 13 1HD2 LEU 13 -3.086 8.286 4.120 82 2HD2 LEU 13 2HD2 LEU 13 -2.031 8.314 5.539 83 3HD2 LEU 13 3HD2 LEU 13 -2.290 6.802 4.655 84 H HIS 14 H HIS 14 -2.855 12.199 3.262 85 HA HIS 14 HA HIS 14 -5.201 10.591 3.618 86 1HB HIS 14 1HB HIS 14 -6.109 12.493 4.810 87 2HB HIS 14 2HB HIS 14 -4.439 12.228 5.291 88 HD1 HIS 14 HD1 HIS 14 -6.433 14.607 2.922 89 HD2 HIS 14 HD2 HIS 14 -2.853 14.297 5.128 90 HE1 HIS 14 HE1 HIS 14 -5.250 16.867 2.724 91 H GLU 15 H GLU 15 -4.245 11.868 0.793 92 HA GLU 15 HA GLU 15 -7.041 12.235 -0.154 93 1HB GLU 15 1HB GLU 15 -4.592 13.861 -0.979 94 2HB GLU 15 2HB GLU 15 -6.013 13.681 -2.007 95 1HG GLU 15 1HG GLU 15 -7.456 14.544 -0.158 96 2HG GLU 15 2HG GLU 15 -5.982 14.914 0.748 97 H GLN 16 H GLN 16 -4.956 9.943 0.141 98 HA GLN 16 HA GLN 16 -4.555 9.191 -2.675 99 1HB GLN 16 1HB GLN 16 -4.160 7.623 -0.101 100 2HB GLN 16 2HB GLN 16 -3.706 7.075 -1.717 101 1HG GLN 16 1HG GLN 16 -2.614 9.548 -0.326 102 2HG GLN 16 2HG GLN 16 -1.789 8.005 -0.408 103 1HE2 GLN 16 2HE2 GLN 16 -1.107 10.822 -1.451 104 2HE2 GLN 16 1HE2 GLN 16 -0.665 10.497 -3.121 105 H LEU 17 H LEU 17 -5.332 6.976 -3.230 106 HA LEU 17 HA LEU 17 -8.273 6.821 -2.799 107 1HB LEU 17 1HB LEU 17 -8.027 5.319 -4.881 108 2HB LEU 17 2HB LEU 17 -8.086 7.019 -5.094 109 HG LEU 17 HG LEU 17 -5.417 5.547 -4.938 110 1HD1 LEU 17 1HD1 LEU 17 -7.166 5.878 -7.399 111 2HD1 LEU 17 2HD1 LEU 17 -6.781 4.333 -6.577 112 3HD1 LEU 17 3HD1 LEU 17 -5.492 5.261 -7.366 113 1HD2 LEU 17 1HD2 LEU 17 -4.857 7.411 -6.599 114 2HD2 LEU 17 2HD2 LEU 17 -5.153 7.944 -4.954 115 3HD2 LEU 17 3HD2 LEU 17 -6.411 8.144 -6.205 116 H TRP 18 H TRP 18 -5.321 4.805 -3.085 117 HA TRP 18 HA TRP 18 -6.472 2.371 -2.137 118 1HB TRP 18 1HB TRP 18 -4.027 1.790 -1.879 119 2HB TRP 18 2HB TRP 18 -4.603 2.193 -3.455 120 HD1 TRP 18 HD1 TRP 18 -3.210 4.028 -4.771 121 HE1 TRP 18 HE1 TRP 18 -1.365 5.613 -4.214 122 HE3 TRP 18 HE3 TRP 18 -3.081 3.416 0.351 123 HZ2 TRP 18 HZ2 TRP 18 0.128 6.383 -1.977 124 HZ3 TRP 18 HZ3 TRP 18 -1.381 4.650 1.680 125 HH2 TRP 18 HH2 TRP 18 0.266 6.119 0.548 126 H TYR 19 H TYR 19 -5.838 5.250 -0.414 127 HA TYR 19 HA TYR 19 -5.165 3.864 2.102 128 1HB TYR 19 1HB TYR 19 -4.116 5.996 1.685 129 2HB TYR 19 2HB TYR 19 -5.687 6.774 1.499 130 HD1 TYR 19 HD1 TYR 19 -4.362 4.304 4.092 131 HD2 TYR 19 HD2 TYR 19 -5.975 8.235 3.301 132 HE1 TYR 19 HE1 TYR 19 -4.272 4.826 6.496 133 HE2 TYR 19 HE2 TYR 19 -5.836 8.772 5.703 134 HH TYR 19 HH TYR 19 -5.168 6.545 8.174 135 H HIS 20 H HIS 20 -6.974 2.524 2.496 136 HA HIS 20 HA HIS 20 -9.691 3.649 2.444 137 1HB HIS 20 1HB HIS 20 -8.629 0.928 3.224 138 2HB HIS 20 2HB HIS 20 -10.303 1.417 3.438 139 HD1 HIS 20 HD1 HIS 20 -11.652 0.249 1.665 140 HD2 HIS 20 HD2 HIS 20 -7.931 1.681 0.290 141 HE1 HIS 20 HE1 HIS 20 -11.548 -0.220 -0.853 142 H GLY 21 H GLY 21 -7.171 4.169 4.642 143 1HA GLY 21 1HA GLY 21 -7.241 5.345 6.533 144 2HA GLY 21 2HA GLY 21 -8.973 5.039 6.711 145 H ALA 22 H ALA 22 -9.436 3.681 8.196 146 HA ALA 22 HA ALA 22 -7.590 1.583 9.209 147 1HB ALA 22 1HB ALA 22 -8.794 1.807 11.338 148 2HB ALA 22 2HB ALA 22 -8.169 3.389 10.824 149 3HB ALA 22 3HB ALA 22 -9.886 2.999 10.624 150 H ILE 23 H ILE 23 -8.101 -0.413 8.424 151 HA ILE 23 HA ILE 23 -10.895 -1.252 8.536 152 HB ILE 23 HB ILE 23 -11.284 -1.280 6.368 153 1HG1 ILE 23 1HG1 ILE 23 -8.733 -2.849 5.854 154 2HG1 ILE 23 2HG1 ILE 23 -10.281 -3.541 6.347 155 1HG2 ILE 23 1HG2 ILE 23 -9.902 -0.288 4.688 156 2HG2 ILE 23 2HG2 ILE 23 -9.985 0.728 6.102 157 3HG2 ILE 23 3HG2 ILE 23 -8.510 -0.221 5.786 158 1HD1 ILE 23 1HD1 ILE 23 -9.718 -2.235 3.717 159 2HD1 ILE 23 2HD1 ILE 23 -10.088 -3.928 4.069 160 3HD1 ILE 23 3HD1 ILE 23 -11.336 -2.683 4.322 161 HA PRO 24 HA PRO 24 -8.897 -4.860 10.238 162 1HB PRO 24 1HB PRO 24 -10.789 -6.811 9.777 163 2HB PRO 24 2HB PRO 24 -11.033 -5.458 10.935 164 1HG PRO 24 1HG PRO 24 -11.864 -5.673 8.047 165 2HG PRO 24 2HG PRO 24 -12.927 -5.286 9.438 166 1HD PRO 24 1HD PRO 24 -11.890 -3.325 7.906 167 2HD PRO 24 2HD PRO 24 -11.943 -3.127 9.672 168 H ARG 25 H ARG 25 -8.553 -7.364 9.607 169 HA ARG 25 HA ARG 25 -7.394 -7.396 6.898 170 1HB ARG 25 1HB ARG 25 -6.623 -9.635 7.385 171 2HB ARG 25 2HB ARG 25 -6.230 -8.597 8.761 172 1HG ARG 25 1HG ARG 25 -8.160 -9.530 9.991 173 2HG ARG 25 2HG ARG 25 -8.556 -10.556 8.608 174 1HD ARG 25 1HD ARG 25 -6.300 -11.612 8.789 175 2HD ARG 25 2HD ARG 25 -6.026 -10.660 10.268 176 HE ARG 25 HE ARG 25 -8.478 -11.935 10.587 177 1HH1 ARG 25 2HH1 ARG 25 -5.118 -13.006 10.184 178 2HH1 ARG 25 1HH1 ARG 25 -5.438 -14.606 10.809 179 1HH2 ARG 25 2HH2 ARG 25 -8.838 -13.975 11.552 180 2HH2 ARG 25 1HH2 ARG 25 -7.519 -15.055 11.824 181 H ALA 26 H ALA 26 -10.287 -8.798 8.434 182 HA ALA 26 HA ALA 26 -10.757 -10.688 6.451 183 1HB ALA 26 1HB ALA 26 -13.080 -10.698 7.375 184 2HB ALA 26 2HB ALA 26 -11.844 -10.682 8.642 185 3HB ALA 26 3HB ALA 26 -12.730 -9.194 8.239 186 H GLU 27 H GLU 27 -11.705 -7.301 6.514 187 HA GLU 27 HA GLU 27 -13.567 -7.244 4.389 188 1HB GLU 27 1HB GLU 27 -11.710 -5.267 5.741 189 2HB GLU 27 2HB GLU 27 -12.771 -4.736 4.413 190 1HG GLU 27 1HG GLU 27 -13.728 -6.177 6.910 191 2HG GLU 27 2HG GLU 27 -13.671 -4.420 6.747 192 H VAL 28 H VAL 28 -10.047 -7.011 4.431 193 HA VAL 28 HA VAL 28 -9.399 -5.808 2.102 194 HB VAL 28 HB VAL 28 -8.033 -8.191 3.423 195 1HG1 VAL 28 1HG1 VAL 28 -5.992 -7.570 2.295 196 2HG1 VAL 28 2HG1 VAL 28 -7.217 -7.991 1.121 197 3HG1 VAL 28 3HG1 VAL 28 -6.851 -6.275 1.396 198 1HG2 VAL 28 1HG2 VAL 28 -6.599 -6.460 4.436 199 2HG2 VAL 28 2HG2 VAL 28 -7.500 -5.182 3.594 200 3HG2 VAL 28 3HG2 VAL 28 -8.283 -6.157 4.842 201 H ALA 29 H ALA 29 -9.810 -9.397 2.294 202 HA ALA 29 HA ALA 29 -9.268 -9.680 -0.498 203 1HB ALA 29 1HB ALA 29 -9.433 -11.858 -0.200 204 2HB ALA 29 2HB ALA 29 -9.527 -11.434 1.553 205 3HB ALA 29 3HB ALA 29 -11.015 -11.726 0.668 206 H GLU 30 H GLU 30 -12.106 -8.539 0.956 207 HA GLU 30 HA GLU 30 -13.869 -9.231 -1.293 208 1HB GLU 30 1HB GLU 30 -15.226 -9.388 0.437 209 2HB GLU 30 2HB GLU 30 -14.215 -8.433 1.511 210 1HG GLU 30 1HG GLU 30 -15.158 -6.357 0.595 211 2HG GLU 30 2HG GLU 30 -16.156 -7.311 -0.526 212 H LEU 31 H LEU 31 -11.643 -6.781 -0.424 213 HA LEU 31 HA LEU 31 -12.802 -4.755 -2.255 214 1HB LEU 31 1HB LEU 31 -10.235 -4.688 -0.615 215 2HB LEU 31 2HB LEU 31 -10.912 -3.347 -1.508 216 HG LEU 31 HG LEU 31 -12.389 -4.721 0.840 217 1HD1 LEU 31 1HD1 LEU 31 -10.355 -3.773 1.653 218 2HD1 LEU 31 2HD1 LEU 31 -11.755 -2.815 2.152 219 3HD1 LEU 31 3HD1 LEU 31 -10.723 -2.216 0.848 220 1HD2 LEU 31 1HD2 LEU 31 -12.772 -2.025 -0.563 221 2HD2 LEU 31 2HD2 LEU 31 -13.654 -2.554 0.864 222 3HD2 LEU 31 3HD2 LEU 31 -13.891 -3.414 -0.666 223 H LEU 32 H LEU 32 -9.962 -6.844 -1.733 224 HA LEU 32 HA LEU 32 -8.709 -6.049 -4.245 225 1HB LEU 32 1HB LEU 32 -7.850 -8.442 -2.608 226 2HB LEU 32 2HB LEU 32 -6.919 -7.398 -3.666 227 HG LEU 32 HG LEU 32 -7.845 -6.764 -0.852 228 1HD1 LEU 32 1HD1 LEU 32 -5.145 -7.063 -2.056 229 2HD1 LEU 32 2HD1 LEU 32 -5.939 -8.253 -0.989 230 3HD1 LEU 32 3HD1 LEU 32 -5.451 -6.657 -0.372 231 1HD2 LEU 32 1HD2 LEU 32 -6.409 -4.699 -1.087 232 2HD2 LEU 32 2HD2 LEU 32 -7.990 -4.681 -1.888 233 3HD2 LEU 32 3HD2 LEU 32 -6.485 -4.932 -2.824 234 H VAL 33 H VAL 33 -8.831 -7.132 -6.130 235 HA VAL 33 HA VAL 33 -10.237 -9.746 -6.300 236 HB VAL 33 HB VAL 33 -10.481 -7.210 -8.007 237 1HG1 VAL 33 1HG1 VAL 33 -12.212 -8.433 -9.295 238 2HG1 VAL 33 2HG1 VAL 33 -10.596 -9.091 -9.519 239 3HG1 VAL 33 3HG1 VAL 33 -11.750 -9.934 -8.450 240 1HG2 VAL 33 1HG2 VAL 33 -11.804 -7.054 -5.954 241 2HG2 VAL 33 2HG2 VAL 33 -12.863 -7.261 -7.353 242 3HG2 VAL 33 3HG2 VAL 33 -12.530 -8.649 -6.275 243 H HIS 34 H HIS 34 -7.980 -7.432 -7.871 244 HA HIS 34 HA HIS 34 -7.000 -9.564 -9.652 245 1HB HIS 34 1HB HIS 34 -6.227 -6.628 -9.350 246 2HB HIS 34 2HB HIS 34 -5.650 -7.727 -10.610 247 HD1 HIS 34 HD1 HIS 34 -7.642 -8.767 -12.244 248 HD2 HIS 34 HD2 HIS 34 -8.638 -5.542 -9.715 249 HE1 HIS 34 HE1 HIS 34 -9.904 -7.866 -13.057 250 H SER 35 H SER 35 -4.916 -10.400 -9.623 251 HA SER 35 HA SER 35 -3.427 -10.367 -7.153 252 1HB SER 35 1HB SER 35 -1.689 -11.557 -8.510 253 2HB SER 35 2HB SER 35 -3.267 -12.348 -8.410 254 HG SER 35 HG SER 35 -3.733 -11.676 -10.478 255 H GLY 36 H GLY 36 -3.038 -8.235 -6.682 256 1HA GLY 36 1HA GLY 36 -0.854 -6.743 -7.289 257 2HA GLY 36 2HA GLY 36 -1.930 -6.446 -8.703 258 H ASP 37 H ASP 37 -4.342 -6.734 -6.932 259 HA ASP 37 HA ASP 37 -4.827 -3.974 -6.403 260 1HB ASP 37 1HB ASP 37 -6.214 -6.558 -5.643 261 2HB ASP 37 2HB ASP 37 -6.712 -5.025 -4.927 262 H PHE 38 H PHE 38 -4.025 -2.796 -4.739 263 HA PHE 38 HA PHE 38 -3.670 -4.138 -2.125 264 1HB PHE 38 1HB PHE 38 -1.719 -2.749 -1.617 265 2HB PHE 38 2HB PHE 38 -1.390 -3.765 -3.000 266 HD1 PHE 38 HD1 PHE 38 -1.970 -0.259 -1.897 267 HD2 PHE 38 HD2 PHE 38 -1.050 -2.855 -5.227 268 HE1 PHE 38 HE1 PHE 38 -1.384 1.711 -3.301 269 HE2 PHE 38 HE2 PHE 38 -0.706 -0.896 -6.639 270 HZ PHE 38 HZ PHE 38 -0.753 1.407 -5.671 271 H LEU 39 H LEU 39 -3.848 -2.771 -0.325 272 HA LEU 39 HA LEU 39 -4.764 -0.034 -0.661 273 1HB LEU 39 1HB LEU 39 -6.674 -0.204 0.686 274 2HB LEU 39 2HB LEU 39 -6.830 -1.413 -0.550 275 HG LEU 39 HG LEU 39 -5.672 -2.883 1.580 276 1HD1 LEU 39 1HD1 LEU 39 -5.865 -1.026 3.110 277 2HD1 LEU 39 2HD1 LEU 39 -6.966 -2.357 3.540 278 3HD1 LEU 39 3HD1 LEU 39 -7.602 -0.902 2.763 279 1HD2 LEU 39 1HD2 LEU 39 -8.597 -2.302 1.051 280 2HD2 LEU 39 2HD2 LEU 39 -7.980 -3.742 1.893 281 3HD2 LEU 39 3HD2 LEU 39 -7.672 -3.502 0.165 282 H VAL 40 H VAL 40 -4.467 1.129 1.360 283 HA VAL 40 HA VAL 40 -2.614 -0.177 3.287 284 HB VAL 40 HB VAL 40 -2.748 2.747 2.474 285 1HG1 VAL 40 1HG1 VAL 40 -1.060 1.356 4.593 286 2HG1 VAL 40 2HG1 VAL 40 -0.788 3.013 4.010 287 3HG1 VAL 40 3HG1 VAL 40 -2.277 2.624 4.869 288 1HG2 VAL 40 1HG2 VAL 40 -0.375 2.289 1.747 289 2HG2 VAL 40 2HG2 VAL 40 -0.620 0.575 2.134 290 3HG2 VAL 40 3HG2 VAL 40 -1.559 1.329 0.844 291 H ARG 41 H ARG 41 -3.321 -0.292 5.288 292 HA ARG 41 HA ARG 41 -5.812 1.106 6.032 293 1HB ARG 41 1HB ARG 41 -6.688 -0.940 7.013 294 2HB ARG 41 2HB ARG 41 -6.347 -1.156 5.292 295 1HG ARG 41 1HG ARG 41 -4.117 -2.177 6.027 296 2HG ARG 41 2HG ARG 41 -4.762 -2.262 7.662 297 1HD ARG 41 1HD ARG 41 -6.831 -3.430 6.510 298 2HD ARG 41 2HD ARG 41 -5.780 -3.561 5.087 299 HE ARG 41 HE ARG 41 -4.852 -5.378 6.028 300 1HH1 ARG 41 2HH1 ARG 41 -6.357 -3.520 8.730 301 2HH1 ARG 41 1HH1 ARG 41 -5.769 -4.641 9.927 302 1HH2 ARG 41 2HH2 ARG 41 -4.658 -7.011 7.624 303 2HH2 ARG 41 1HH2 ARG 41 -4.809 -6.563 9.331 304 H GLU 42 H GLU 42 -5.973 1.325 8.363 305 HA GLU 42 HA GLU 42 -3.445 1.262 9.873 306 1HB GLU 42 1HB GLU 42 -5.034 3.113 10.051 307 2HB GLU 42 2HB GLU 42 -6.244 2.057 10.752 308 1HG GLU 42 1HG GLU 42 -3.982 1.631 12.389 309 2HG GLU 42 2HG GLU 42 -3.754 3.283 11.887 310 H SER 43 H SER 43 -2.957 -0.102 11.523 311 HA SER 43 HA SER 43 -4.063 -2.768 11.688 312 1HB SER 43 1HB SER 43 -1.642 -1.734 12.232 313 2HB SER 43 2HB SER 43 -2.365 -1.472 13.830 314 HG SER 43 HG SER 43 -1.391 -3.482 13.809 315 H GLN 44 H GLN 44 -4.829 -3.568 13.983 316 HA GLN 44 HA GLN 44 -7.201 -2.040 14.567 317 1HB GLN 44 1HB GLN 44 -7.645 -3.809 16.271 318 2HB GLN 44 2HB GLN 44 -7.560 -4.305 14.608 319 1HG GLN 44 1HG GLN 44 -5.064 -4.639 16.261 320 2HG GLN 44 2HG GLN 44 -6.440 -5.711 16.555 321 1HE2 GLN 44 2HE2 GLN 44 -6.798 -7.443 15.176 322 2HE2 GLN 44 1HE2 GLN 44 -6.011 -7.622 13.612 323 H GLY 45 H GLY 45 -6.401 -0.016 15.279 324 1HA GLY 45 1HA GLY 45 -6.463 1.481 16.993 325 2HA GLY 45 2HA GLY 45 -6.492 0.139 18.154 326 H LYS 46 H LYS 46 -3.892 0.111 15.891 327 HA LYS 46 HA LYS 46 -2.039 1.592 17.704 328 1HB LYS 46 1HB LYS 46 -1.337 -0.293 15.421 329 2HB LYS 46 2HB LYS 46 -0.197 0.545 16.461 330 1HG LYS 46 1HG LYS 46 -2.118 -1.655 17.304 331 2HG LYS 46 2HG LYS 46 -0.402 -1.857 16.974 332 1HD LYS 46 1HD LYS 46 0.169 -0.342 18.854 333 2HD LYS 46 2HD LYS 46 -1.561 -0.185 19.245 334 1HE LYS 46 1HE LYS 46 -1.729 -2.609 19.627 335 2HE LYS 46 2HE LYS 46 -0.035 -2.833 19.152 336 1HZ LYS 46 1HZ LYS 46 -0.913 -1.244 21.486 337 2HZ LYS 46 2HZ LYS 46 0.641 -1.583 21.085 338 3HZ LYS 46 3HZ LYS 46 -0.363 -2.778 21.570 339 H GLN 47 H GLN 47 -1.216 3.422 16.756 340 HA GLN 47 HA GLN 47 -2.016 4.256 14.041 341 1HB GLN 47 1HB GLN 47 -0.386 5.486 16.302 342 2HB GLN 47 2HB GLN 47 -0.250 6.100 14.650 343 1HG GLN 47 1HG GLN 47 -2.950 5.784 16.010 344 2HG GLN 47 2HG GLN 47 -1.963 7.241 16.194 345 1HE2 GLN 47 2HE2 GLN 47 -4.144 5.525 13.956 346 2HE2 GLN 47 1HE2 GLN 47 -4.072 6.762 12.739 347 H GLU 48 H GLU 48 -1.335 2.177 13.337 348 HA GLU 48 HA GLU 48 1.370 2.322 12.270 349 1HB GLU 48 1HB GLU 48 1.656 0.726 14.132 350 2HB GLU 48 2HB GLU 48 0.172 -0.121 13.684 351 1HG GLU 48 1HG GLU 48 2.049 -1.390 12.942 352 2HG GLU 48 2HG GLU 48 1.144 -0.801 11.556 353 H TYR 49 H TYR 49 1.277 1.558 10.105 354 HA TYR 49 HA TYR 49 -1.457 0.917 9.123 355 1HB TYR 49 1HB TYR 49 0.911 2.041 7.645 356 2HB TYR 49 2HB TYR 49 -0.662 1.642 6.933 357 HD1 TYR 49 HD1 TYR 49 -2.694 2.745 8.441 358 HD2 TYR 49 HD2 TYR 49 1.275 4.308 7.794 359 HE1 TYR 49 HE1 TYR 49 -3.480 5.034 9.072 360 HE2 TYR 49 HE2 TYR 49 0.460 6.603 8.195 361 HH TYR 49 HH TYR 49 -1.349 7.907 8.707 362 H VAL 50 H VAL 50 -1.625 -0.558 7.379 363 HA VAL 50 HA VAL 50 0.349 -2.753 7.247 364 HB VAL 50 HB VAL 50 -2.674 -2.860 7.541 365 1HG1 VAL 50 1HG1 VAL 50 -0.708 -5.109 6.946 366 2HG1 VAL 50 2HG1 VAL 50 -2.380 -5.384 7.480 367 3HG1 VAL 50 3HG1 VAL 50 -2.073 -4.587 5.933 368 1HG2 VAL 50 1HG2 VAL 50 -1.336 -2.661 9.696 369 2HG2 VAL 50 2HG2 VAL 50 -2.488 -3.993 9.558 370 3HG2 VAL 50 3HG2 VAL 50 -0.762 -4.310 9.318 371 H LEU 51 H LEU 51 0.737 -3.268 5.214 372 HA LEU 51 HA LEU 51 -0.771 -2.162 2.947 373 1HB LEU 51 1HB LEU 51 1.735 -2.046 3.032 374 2HB LEU 51 2HB LEU 51 1.823 -3.777 3.229 375 HG LEU 51 HG LEU 51 1.098 -4.195 0.993 376 1HD1 LEU 51 1HD1 LEU 51 -0.703 -2.528 0.723 377 2HD1 LEU 51 2HD1 LEU 51 0.484 -2.351 -0.563 378 3HD1 LEU 51 3HD1 LEU 51 0.486 -1.208 0.806 379 1HD2 LEU 51 1HD2 LEU 51 2.851 -2.931 -0.231 380 2HD2 LEU 51 2HD2 LEU 51 3.442 -3.429 1.384 381 3HD2 LEU 51 3HD2 LEU 51 2.945 -1.762 1.115 382 H SER 52 H SER 52 -2.433 -3.405 2.330 383 HA SER 52 HA SER 52 -2.123 -6.345 2.570 384 1HB SER 52 1HB SER 52 -4.240 -4.588 3.579 385 2HB SER 52 2HB SER 52 -4.856 -5.795 2.450 386 HG SER 52 HG SER 52 -3.404 -7.294 3.700 387 H VAL 53 H VAL 53 -2.132 -7.428 0.773 388 HA VAL 53 HA VAL 53 -3.076 -6.212 -1.721 389 HB VAL 53 HB VAL 53 -0.976 -5.214 -1.404 390 1HG1 VAL 53 1HG1 VAL 53 1.120 -6.335 -1.076 391 2HG1 VAL 53 2HG1 VAL 53 0.056 -6.629 0.288 392 3HG1 VAL 53 3HG1 VAL 53 0.293 -7.911 -0.925 393 1HG2 VAL 53 1HG2 VAL 53 -1.590 -6.226 -3.684 394 2HG2 VAL 53 2HG2 VAL 53 0.060 -5.747 -3.432 395 3HG2 VAL 53 3HG2 VAL 53 -0.387 -7.478 -3.340 396 H LEU 54 H LEU 54 -3.566 -7.774 -3.260 397 HA LEU 54 HA LEU 54 -3.845 -10.516 -2.199 398 1HB LEU 54 1HB LEU 54 -5.736 -9.135 -3.099 399 2HB LEU 54 2HB LEU 54 -4.995 -9.179 -4.684 400 HG LEU 54 HG LEU 54 -5.322 -11.723 -4.574 401 1HD1 LEU 54 1HD1 LEU 54 -7.018 -12.560 -2.999 402 2HD1 LEU 54 2HD1 LEU 54 -6.829 -11.057 -2.068 403 3HD1 LEU 54 3HD1 LEU 54 -5.443 -12.162 -2.310 404 1HD2 LEU 54 1HD2 LEU 54 -7.840 -10.110 -4.336 405 2HD2 LEU 54 2HD2 LEU 54 -7.617 -11.639 -5.200 406 3HD2 LEU 54 3HD2 LEU 54 -6.814 -10.181 -5.789 407 H TRP 55 H TRP 55 -2.411 -12.071 -2.860 408 HA TRP 55 HA TRP 55 -1.117 -11.747 -5.513 409 1HB TRP 55 1HB TRP 55 0.204 -10.714 -3.562 410 2HB TRP 55 2HB TRP 55 0.467 -12.364 -2.993 411 HD1 TRP 55 HD1 TRP 55 2.693 -13.301 -3.882 412 HE1 TRP 55 HE1 TRP 55 4.206 -12.927 -5.918 413 HE3 TRP 55 HE3 TRP 55 -0.134 -9.798 -6.308 414 HZ2 TRP 55 HZ2 TRP 55 4.240 -11.128 -8.279 415 HZ3 TRP 55 HZ3 TRP 55 0.621 -8.842 -8.456 416 HH2 TRP 55 HH2 TRP 55 2.789 -9.552 -9.464 417 H ASP 56 H ASP 56 -1.150 -13.623 -6.611 418 HA ASP 56 HA ASP 56 -1.842 -15.754 -7.080 419 1HB ASP 56 1HB ASP 56 0.486 -16.054 -6.601 420 2HB ASP 56 2HB ASP 56 0.181 -16.199 -4.881 421 H GLY 57 H GLY 57 -3.743 -14.513 -5.832 422 1HA GLY 57 1HA GLY 57 -5.834 -14.982 -5.167 423 2HA GLY 57 2HA GLY 57 -5.338 -16.624 -4.754 424 H LEU 58 H LEU 58 -3.323 -14.497 -3.137 425 HA LEU 58 HA LEU 58 -4.835 -15.023 -0.632 426 1HB LEU 58 1HB LEU 58 -2.865 -16.466 -1.199 427 2HB LEU 58 2HB LEU 58 -1.842 -15.046 -1.040 428 HG LEU 58 HG LEU 58 -1.737 -16.457 0.902 429 1HD1 LEU 58 1HD1 LEU 58 -1.858 -14.853 2.585 430 2HD1 LEU 58 2HD1 LEU 58 -3.190 -13.992 1.841 431 3HD1 LEU 58 3HD1 LEU 58 -1.563 -13.915 1.116 432 1HD2 LEU 58 1HD2 LEU 58 -3.563 -16.825 2.436 433 2HD2 LEU 58 2HD2 LEU 58 -3.996 -17.433 0.827 434 3HD2 LEU 58 3HD2 LEU 58 -4.681 -15.912 1.413 435 HA PRO 59 HA PRO 59 -4.199 -10.527 -0.154 436 1HB PRO 59 1HB PRO 59 -5.888 -10.110 1.939 437 2HB PRO 59 2HB PRO 59 -6.483 -10.388 0.267 438 1HG PRO 59 1HG PRO 59 -6.170 -12.428 2.490 439 2HG PRO 59 2HG PRO 59 -7.592 -12.151 1.431 440 1HD PRO 59 1HD PRO 59 -5.781 -14.093 1.008 441 2HD PRO 59 2HD PRO 59 -6.589 -13.248 -0.343 442 H ARG 60 H ARG 60 -2.082 -10.538 0.474 443 HA ARG 60 HA ARG 60 -1.129 -11.523 3.037 444 1HB ARG 60 1HB ARG 60 0.032 -9.580 0.986 445 2HB ARG 60 2HB ARG 60 0.941 -10.254 2.343 446 1HG ARG 60 1HG ARG 60 -0.346 -12.036 0.219 447 2HG ARG 60 2HG ARG 60 1.240 -11.348 0.029 448 1HD ARG 60 1HD ARG 60 2.043 -12.455 2.081 449 2HD ARG 60 2HD ARG 60 0.388 -12.988 2.429 450 HE ARG 60 HE ARG 60 1.658 -13.920 -0.079 451 1HH1 ARG 60 2HH1 ARG 60 0.718 -14.728 3.265 452 2HH1 ARG 60 1HH1 ARG 60 0.231 -16.324 2.924 453 1HH2 ARG 60 2HH2 ARG 60 1.098 -16.036 -0.566 454 2HH2 ARG 60 1HH2 ARG 60 0.670 -17.200 0.606 455 H HIS 61 H HIS 61 0.048 -9.969 4.561 456 HA HIS 61 HA HIS 61 -1.135 -7.305 4.838 457 1HB HIS 61 1HB HIS 61 -1.699 -7.805 7.247 458 2HB HIS 61 2HB HIS 61 -2.741 -8.524 6.035 459 HD1 HIS 61 HD1 HIS 61 -0.364 -9.590 8.828 460 HD2 HIS 61 HD2 HIS 61 -2.768 -11.201 5.746 461 HE1 HIS 61 HE1 HIS 61 -0.518 -12.094 9.258 462 H PHE 62 H PHE 62 1.065 -6.752 4.237 463 HA PHE 62 HA PHE 62 3.222 -7.399 6.159 464 1HB PHE 62 1HB PHE 62 3.230 -5.535 3.741 465 2HB PHE 62 2HB PHE 62 4.622 -6.164 4.603 466 HD1 PHE 62 HD1 PHE 62 5.079 -8.708 4.496 467 HD2 PHE 62 HD2 PHE 62 2.231 -6.751 1.909 468 HE1 PHE 62 HE1 PHE 62 5.095 -10.667 2.990 469 HE2 PHE 62 HE2 PHE 62 2.290 -8.686 0.391 470 HZ PHE 62 HZ PHE 62 3.690 -10.716 0.950 471 H ILE 63 H ILE 63 3.647 -5.981 7.841 472 HA ILE 63 HA ILE 63 1.951 -3.629 8.257 473 HB ILE 63 HB ILE 63 4.320 -4.847 9.674 474 1HG1 ILE 63 1HG1 ILE 63 1.862 -5.636 9.874 475 2HG1 ILE 63 2HG1 ILE 63 2.779 -5.392 11.338 476 1HG2 ILE 63 1HG2 ILE 63 3.156 -2.097 10.170 477 2HG2 ILE 63 2HG2 ILE 63 4.045 -3.011 11.416 478 3HG2 ILE 63 3HG2 ILE 63 4.848 -2.542 9.918 479 1HD1 ILE 63 1HD1 ILE 63 1.579 -3.370 11.872 480 2HD1 ILE 63 2HD1 ILE 63 0.903 -3.239 10.246 481 3HD1 ILE 63 3HD1 ILE 63 0.354 -4.522 11.330 482 H ILE 64 H ILE 64 2.314 -1.591 7.543 483 HA ILE 64 HA ILE 64 4.150 -1.040 5.455 484 HB ILE 64 HB ILE 64 2.597 0.711 7.354 485 1HG1 ILE 64 1HG1 ILE 64 1.332 -0.676 5.698 486 2HG1 ILE 64 2HG1 ILE 64 1.013 1.042 5.649 487 1HG2 ILE 64 1HG2 ILE 64 2.889 2.609 5.810 488 2HG2 ILE 64 2HG2 ILE 64 4.325 2.199 6.730 489 3HG2 ILE 64 3HG2 ILE 64 4.211 1.734 5.013 490 1HD1 ILE 64 1HD1 ILE 64 2.873 -0.301 3.725 491 2HD1 ILE 64 2HD1 ILE 64 1.143 0.036 3.444 492 3HD1 ILE 64 3HD1 ILE 64 2.268 1.379 3.668 493 H GLN 65 H GLN 65 5.876 0.247 5.448 494 HA GLN 65 HA GLN 65 7.866 -0.553 7.290 495 1HB GLN 65 1HB GLN 65 8.261 1.693 5.269 496 2HB GLN 65 2HB GLN 65 9.414 0.484 5.763 497 1HG GLN 65 1HG GLN 65 8.756 -0.398 3.689 498 2HG GLN 65 2HG GLN 65 7.606 -1.202 4.707 499 1HE2 GLN 65 2HE2 GLN 65 8.187 1.687 2.609 500 2HE2 GLN 65 1HE2 GLN 65 6.529 1.963 2.180 501 H SER 66 H SER 66 9.530 1.075 8.212 502 HA SER 66 HA SER 66 8.957 3.767 8.500 503 1HB SER 66 1HB SER 66 7.368 3.088 10.259 504 2HB SER 66 2HB SER 66 8.577 1.985 10.944 505 HG SER 66 HG SER 66 9.864 3.858 11.425 506 H LEU 67 H LEU 67 10.852 4.619 9.207 507 HA LEU 67 HA LEU 67 12.598 3.005 10.881 508 1HB LEU 67 1HB LEU 67 14.691 4.049 9.984 509 2HB LEU 67 2HB LEU 67 14.004 2.735 9.069 510 HG LEU 67 HG LEU 67 13.195 5.524 8.221 511 1HD1 LEU 67 1HD1 LEU 67 15.951 4.296 7.763 512 2HD1 LEU 67 2HD1 LEU 67 15.595 5.816 8.601 513 3HD1 LEU 67 3HD1 LEU 67 15.313 5.677 6.857 514 1HD2 LEU 67 1HD2 LEU 67 13.515 4.404 5.940 515 2HD2 LEU 67 2HD2 LEU 67 12.273 3.649 6.952 516 3HD2 LEU 67 3HD2 LEU 67 13.875 2.919 6.846 517 H ASP 68 H ASP 68 13.991 6.021 10.168 518 HA ASP 68 HA ASP 68 13.253 7.011 12.768 519 1HB ASP 68 1HB ASP 68 14.847 8.047 10.395 520 2HB ASP 68 2HB ASP 68 14.504 9.076 11.782 521 H ASN 69 H ASN 69 12.556 8.007 9.460 522 HA ASN 69 HA ASN 69 10.170 9.537 10.158 523 1HB ASN 69 1HB ASN 69 11.988 11.120 10.661 524 2HB ASN 69 2HB ASN 69 12.755 10.775 9.114 525 1HD2 ASN 69 2HD2 ASN 69 9.560 12.070 10.396 526 2HD2 ASN 69 1HD2 ASN 69 9.472 13.288 9.168 527 H LEU 70 H LEU 70 11.653 7.371 8.220 528 HA LEU 70 HA LEU 70 10.323 8.205 5.702 529 1HB LEU 70 1HB LEU 70 12.924 6.645 5.886 530 2HB LEU 70 2HB LEU 70 12.183 7.246 4.453 531 HG LEU 70 HG LEU 70 12.972 9.347 6.461 532 1HD1 LEU 70 1HD1 LEU 70 14.880 7.890 6.626 533 2HD1 LEU 70 2HD1 LEU 70 15.311 9.314 5.680 534 3HD1 LEU 70 3HD1 LEU 70 15.003 7.770 4.849 535 1HD2 LEU 70 1HD2 LEU 70 13.584 10.559 4.419 536 2HD2 LEU 70 2HD2 LEU 70 11.933 9.953 4.335 537 3HD2 LEU 70 3HD2 LEU 70 13.229 9.128 3.431 538 H TYR 71 H TYR 71 10.119 6.257 4.247 539 HA TYR 71 HA TYR 71 9.389 3.761 5.726 540 1HB TYR 71 1HB TYR 71 7.931 4.971 3.326 541 2HB TYR 71 2HB TYR 71 7.400 3.652 4.348 542 HD1 TYR 71 HD1 TYR 71 6.353 4.095 6.525 543 HD2 TYR 71 HD2 TYR 71 7.755 7.303 4.041 544 HE1 TYR 71 HE1 TYR 71 5.199 5.662 7.988 545 HE2 TYR 71 HE2 TYR 71 6.596 8.946 5.483 546 HH TYR 71 HH TYR 71 4.787 7.942 8.436 547 H ARG 72 H ARG 72 10.529 1.977 4.779 548 HA ARG 72 HA ARG 72 11.369 2.104 1.943 549 1HB ARG 72 1HB ARG 72 13.546 1.269 2.529 550 2HB ARG 72 2HB ARG 72 13.298 2.883 3.186 551 1HG ARG 72 1HG ARG 72 14.299 2.018 4.968 552 2HG ARG 72 2HG ARG 72 12.673 1.445 5.388 553 1HD ARG 72 1HD ARG 72 14.150 -0.350 5.773 554 2HD ARG 72 2HD ARG 72 13.371 -0.776 4.247 555 HE ARG 72 HE ARG 72 15.601 0.619 3.454 556 1HH1 ARG 72 2HH1 ARG 72 14.939 -2.376 5.204 557 2HH1 ARG 72 1HH1 ARG 72 16.453 -3.111 4.834 558 1HH2 ARG 72 2HH2 ARG 72 17.633 -0.213 3.067 559 2HH2 ARG 72 1HH2 ARG 72 17.907 -1.933 3.301 560 H LEU 73 H LEU 73 10.886 0.124 0.967 561 HA LEU 73 HA LEU 73 9.988 -1.998 2.861 562 1HB LEU 73 1HB LEU 73 8.345 -0.921 1.276 563 2HB LEU 73 2HB LEU 73 9.162 -1.770 -0.052 564 HG LEU 73 HG LEU 73 8.668 -3.916 0.820 565 1HD1 LEU 73 1HD1 LEU 73 7.120 -4.278 2.717 566 2HD1 LEU 73 2HD1 LEU 73 7.127 -2.566 3.086 567 3HD1 LEU 73 3HD1 LEU 73 8.604 -3.550 3.312 568 1HD2 LEU 73 1HD2 LEU 73 7.161 -2.790 -0.606 569 2HD2 LEU 73 2HD2 LEU 73 6.304 -2.032 0.762 570 3HD2 LEU 73 3HD2 LEU 73 6.247 -3.798 0.546 571 H GLU 74 H GLU 74 11.981 -1.519 -0.046 572 HA GLU 74 HA GLU 74 13.167 -4.189 0.618 573 1HB GLU 74 1HB GLU 74 12.196 -4.063 -1.624 574 2HB GLU 74 2HB GLU 74 13.388 -2.810 -2.049 575 1HG GLU 74 1HG GLU 74 15.208 -4.413 -1.718 576 2HG GLU 74 2HG GLU 74 14.093 -5.607 -1.046 577 H GLY 75 H GLY 75 14.137 -1.006 -0.796 578 1HA GLY 75 1HA GLY 75 16.768 -1.203 0.590 579 2HA GLY 75 2HA GLY 75 16.532 -0.669 -1.054 580 H GLU 76 H GLU 76 15.715 1.424 -1.432 581 HA GLU 76 HA GLU 76 16.526 3.222 0.713 582 1HB GLU 76 1HB GLU 76 16.583 4.978 -0.872 583 2HB GLU 76 2HB GLU 76 17.322 3.543 -1.560 584 1HG GLU 76 1HG GLU 76 15.046 3.123 -2.726 585 2HG GLU 76 2HG GLU 76 14.622 4.774 -2.233 586 H GLY 77 H GLY 77 15.327 5.275 1.219 587 1HA GLY 77 1HA GLY 77 12.522 4.540 1.837 588 2HA GLY 77 2HA GLY 77 13.593 5.440 2.899 589 H PHE 78 H PHE 78 11.017 6.329 2.181 590 HA PHE 78 HA PHE 78 11.692 8.844 0.732 591 1HB PHE 78 1HB PHE 78 9.346 6.967 0.328 592 2HB PHE 78 2HB PHE 78 9.169 8.671 -0.026 593 HD1 PHE 78 HD1 PHE 78 10.211 9.738 -1.934 594 HD2 PHE 78 HD2 PHE 78 11.096 5.625 -0.944 595 HE1 PHE 78 HE1 PHE 78 11.320 9.438 -4.117 596 HE2 PHE 78 HE2 PHE 78 12.239 5.350 -3.133 597 HZ PHE 78 HZ PHE 78 12.352 7.251 -4.711 598 HA PRO 79 HA PRO 79 9.945 10.925 4.187 599 1HB PRO 79 1HB PRO 79 8.732 13.139 3.060 600 2HB PRO 79 2HB PRO 79 10.518 12.908 3.076 601 1HG PRO 79 1HG PRO 79 8.534 12.126 0.910 602 2HG PRO 79 2HG PRO 79 9.987 13.175 0.721 603 1HD PRO 79 1HD PRO 79 10.153 10.607 0.111 604 2HD PRO 79 2HD PRO 79 11.446 11.309 1.123 605 H SER 80 H SER 80 7.742 9.717 1.744 606 HA SER 80 HA SER 80 5.439 9.803 3.603 607 1HB SER 80 1HB SER 80 5.243 10.496 0.684 608 2HB SER 80 2HB SER 80 4.021 10.671 1.842 609 HG SER 80 HG SER 80 6.419 12.162 1.852 610 H ILE 81 H ILE 81 4.015 8.101 3.172 611 HA ILE 81 HA ILE 81 5.176 5.671 2.082 612 HB ILE 81 HB ILE 81 2.372 6.443 2.956 613 1HG1 ILE 81 1HG1 ILE 81 4.241 4.395 4.200 614 2HG1 ILE 81 2HG1 ILE 81 4.365 6.100 4.603 615 1HG2 ILE 81 1HG2 ILE 81 3.193 3.627 2.198 616 2HG2 ILE 81 2HG2 ILE 81 1.605 4.185 2.721 617 3HG2 ILE 81 3HG2 ILE 81 2.244 4.677 1.144 618 1HD1 ILE 81 1HD1 ILE 81 3.058 4.843 6.258 619 2HD1 ILE 81 2HD1 ILE 81 2.180 6.193 5.549 620 3HD1 ILE 81 3HD1 ILE 81 1.812 4.526 5.030 621 HA PRO 82 HA PRO 82 2.178 6.664 -1.537 622 1HB PRO 82 1HB PRO 82 1.702 9.350 -2.174 623 2HB PRO 82 2HB PRO 82 0.628 8.286 -1.215 624 1HG PRO 82 1HG PRO 82 2.564 10.297 -0.184 625 2HG PRO 82 2HG PRO 82 0.941 9.911 0.424 626 1HD PRO 82 1HD PRO 82 3.019 8.981 1.655 627 2HD PRO 82 2HD PRO 82 1.616 7.968 1.500 628 H LEU 83 H LEU 83 4.800 8.883 -0.858 629 HA LEU 83 HA LEU 83 5.733 9.093 -3.565 630 1HB LEU 83 1HB LEU 83 6.760 9.807 -0.776 631 2HB LEU 83 2HB LEU 83 7.887 9.762 -2.088 632 HG LEU 83 HG LEU 83 6.019 11.216 -3.333 633 1HD1 LEU 83 1HD1 LEU 83 4.481 11.234 -1.349 634 2HD1 LEU 83 2HD1 LEU 83 4.902 12.786 -2.005 635 3HD1 LEU 83 3HD1 LEU 83 5.713 12.272 -0.529 636 1HD2 LEU 83 1HD2 LEU 83 7.262 13.220 -2.671 637 2HD2 LEU 83 2HD2 LEU 83 8.315 11.869 -3.099 638 3HD2 LEU 83 3HD2 LEU 83 8.065 12.291 -1.378 639 H LEU 84 H LEU 84 6.213 6.526 -1.272 640 HA LEU 84 HA LEU 84 8.389 5.431 -2.965 641 1HB LEU 84 1HB LEU 84 8.284 5.163 -0.523 642 2HB LEU 84 2HB LEU 84 6.774 4.247 -0.714 643 HG LEU 84 HG LEU 84 7.732 2.383 -1.615 644 1HD1 LEU 84 1HD1 LEU 84 10.435 3.770 -1.982 645 2HD1 LEU 84 2HD1 LEU 84 9.339 3.289 -3.290 646 3HD1 LEU 84 3HD1 LEU 84 10.084 2.063 -2.279 647 1HD2 LEU 84 1HD2 LEU 84 9.283 1.654 0.055 648 2HD2 LEU 84 2HD2 LEU 84 8.218 2.866 0.815 649 3HD2 LEU 84 3HD2 LEU 84 9.862 3.315 0.338 650 H ILE 85 H ILE 85 4.851 5.174 -2.510 651 HA ILE 85 HA ILE 85 4.431 2.715 -3.695 652 HB ILE 85 HB ILE 85 2.626 5.129 -3.923 653 1HG1 ILE 85 1HG1 ILE 85 3.035 4.706 -1.673 654 2HG1 ILE 85 2HG1 ILE 85 1.445 4.055 -2.016 655 1HG2 ILE 85 1HG2 ILE 85 0.766 3.579 -4.221 656 2HG2 ILE 85 2HG2 ILE 85 1.918 3.418 -5.541 657 3HG2 ILE 85 3HG2 ILE 85 1.893 2.202 -4.249 658 1HD1 ILE 85 1HD1 ILE 85 2.521 2.510 -0.549 659 2HD1 ILE 85 2HD1 ILE 85 2.657 1.778 -2.171 660 3HD1 ILE 85 3HD1 ILE 85 4.052 2.593 -1.436 661 H ASP 86 H ASP 86 4.974 5.850 -5.397 662 HA ASP 86 HA ASP 86 4.346 4.736 -7.965 663 1HB ASP 86 1HB ASP 86 4.542 7.173 -7.404 664 2HB ASP 86 2HB ASP 86 6.283 7.030 -7.481 665 H HIS 87 H HIS 87 7.438 5.036 -6.213 666 HA HIS 87 HA HIS 87 8.985 3.946 -8.372 667 1HB HIS 87 1HB HIS 87 9.600 4.211 -5.422 668 2HB HIS 87 2HB HIS 87 10.745 3.579 -6.571 669 HD1 HIS 87 HD1 HIS 87 11.685 5.293 -8.474 670 HD2 HIS 87 HD2 HIS 87 9.385 6.855 -5.329 671 HE1 HIS 87 HE1 HIS 87 12.033 7.822 -8.529 672 H LEU 88 H LEU 88 6.750 2.415 -6.270 673 HA LEU 88 HA LEU 88 7.975 -0.248 -6.820 674 1HB LEU 88 1HB LEU 88 5.840 0.714 -4.921 675 2HB LEU 88 2HB LEU 88 6.096 -0.984 -5.375 676 HG LEU 88 HG LEU 88 7.537 0.837 -3.552 677 1HD1 LEU 88 1HD1 LEU 88 7.871 -1.375 -2.402 678 2HD1 LEU 88 2HD1 LEU 88 7.300 -2.192 -3.880 679 3HD1 LEU 88 3HD1 LEU 88 6.187 -1.177 -2.931 680 1HD2 LEU 88 1HD2 LEU 88 9.702 -0.357 -3.583 681 2HD2 LEU 88 2HD2 LEU 88 9.469 0.576 -5.049 682 3HD2 LEU 88 3HD2 LEU 88 9.237 -1.191 -5.070 683 H LEU 89 H LEU 89 5.124 1.837 -7.494 684 HA LEU 89 HA LEU 89 3.695 -0.337 -8.783 685 1HB LEU 89 1HB LEU 89 2.726 1.793 -7.606 686 2HB LEU 89 2HB LEU 89 3.029 2.589 -9.132 687 HG LEU 89 HG LEU 89 1.717 0.499 -10.094 688 1HD1 LEU 89 1HD1 LEU 89 1.338 -0.954 -8.743 689 2HD1 LEU 89 2HD1 LEU 89 -0.208 -0.147 -8.708 690 3HD1 LEU 89 3HD1 LEU 89 0.927 0.210 -7.373 691 1HD2 LEU 89 1HD2 LEU 89 -0.433 1.678 -9.954 692 2HD2 LEU 89 2HD2 LEU 89 0.813 2.935 -10.049 693 3HD2 LEU 89 3HD2 LEU 89 0.078 2.504 -8.473 694 H SER 90 H SER 90 5.879 2.211 -9.848 695 HA SER 90 HA SER 90 5.184 1.680 -12.626 696 1HB SER 90 1HB SER 90 6.413 3.905 -11.254 697 2HB SER 90 2HB SER 90 7.519 3.323 -12.503 698 HG SER 90 HG SER 90 4.846 4.201 -12.716 699 H THR 91 H THR 91 7.107 0.156 -10.317 700 HA THR 91 HA THR 91 9.181 -0.686 -12.284 701 HB THR 91 HB THR 91 10.619 -0.989 -10.354 702 HG1 THR 91 HG1 THR 91 9.277 0.225 -8.458 703 1HG2 THR 91 1HG2 THR 91 10.487 1.331 -11.337 704 2HG2 THR 91 2HG2 THR 91 10.876 1.337 -9.618 705 3HG2 THR 91 3HG2 THR 91 9.240 1.743 -10.136 706 H GLN 92 H GLN 92 6.763 -1.701 -9.961 707 HA GLN 92 HA GLN 92 5.713 -3.713 -9.617 708 1HB GLN 92 1HB GLN 92 7.109 -5.039 -11.929 709 2HB GLN 92 2HB GLN 92 5.502 -5.326 -11.289 710 1HG GLN 92 1HG GLN 92 6.325 -2.839 -12.877 711 2HG GLN 92 2HG GLN 92 5.598 -4.272 -13.564 712 1HE2 GLN 92 2HE2 GLN 92 4.644 -2.547 -10.457 713 2HE2 GLN 92 1HE2 GLN 92 3.090 -2.232 -10.974 714 H GLN 93 H GLN 93 8.010 -2.918 -8.415 715 HA GLN 93 HA GLN 93 9.955 -5.056 -8.105 716 1HB GLN 93 1HB GLN 93 9.454 -2.359 -6.968 717 2HB GLN 93 2HB GLN 93 10.171 -3.482 -5.824 718 1HG GLN 93 1HG GLN 93 12.083 -3.896 -7.269 719 2HG GLN 93 2HG GLN 93 11.329 -2.976 -8.582 720 1HE2 GLN 93 2HE2 GLN 93 10.860 -0.727 -8.238 721 2HE2 GLN 93 1HE2 GLN 93 11.890 0.249 -7.215 722 HA PRO 94 HA PRO 94 7.807 -7.415 -5.103 723 1HB PRO 94 1HB PRO 94 9.739 -8.866 -3.841 724 2HB PRO 94 2HB PRO 94 9.307 -9.116 -5.556 725 1HG PRO 94 1HG PRO 94 11.518 -7.350 -4.371 726 2HG PRO 94 2HG PRO 94 11.681 -8.566 -5.638 727 1HD PRO 94 1HD PRO 94 11.378 -5.876 -6.196 728 2HD PRO 94 2HD PRO 94 10.658 -7.135 -7.248 729 H LEU 95 H LEU 95 6.959 -7.125 -3.194 730 HA LEU 95 HA LEU 95 7.806 -5.159 -1.321 731 1HB LEU 95 1HB LEU 95 5.890 -7.466 -0.898 732 2HB LEU 95 2HB LEU 95 6.047 -6.034 0.109 733 HG LEU 95 HG LEU 95 4.915 -6.278 -2.641 734 1HD1 LEU 95 1HD1 LEU 95 3.031 -5.065 -1.445 735 2HD1 LEU 95 2HD1 LEU 95 4.031 -5.070 0.011 736 3HD1 LEU 95 3HD1 LEU 95 3.486 -6.606 -0.664 737 1HD2 LEU 95 1HD2 LEU 95 5.316 -3.518 -1.504 738 2HD2 LEU 95 2HD2 LEU 95 4.729 -4.005 -3.091 739 3HD2 LEU 95 3HD2 LEU 95 6.431 -4.220 -2.698 740 H THR 96 H THR 96 8.585 -8.592 -1.437 741 HA THR 96 HA THR 96 10.546 -8.353 0.613 742 HB THR 96 HB THR 96 8.808 -8.725 2.191 743 HG1 THR 96 HG1 THR 96 10.431 -10.144 2.596 744 1HG2 THR 96 1HG2 THR 96 6.900 -9.346 0.822 745 2HG2 THR 96 2HG2 THR 96 7.165 -10.582 2.050 746 3HG2 THR 96 3HG2 THR 96 7.669 -10.890 0.376 747 H LYS 97 H LYS 97 11.843 -10.294 0.657 748 HA LYS 97 HA LYS 97 12.140 -11.779 -1.792 749 1HB LYS 97 1HB LYS 97 13.809 -11.120 0.264 750 2HB LYS 97 2HB LYS 97 13.313 -12.718 0.801 751 1HG LYS 97 1HG LYS 97 15.306 -13.044 -0.430 752 2HG LYS 97 2HG LYS 97 14.025 -13.571 -1.530 753 1HD LYS 97 1HD LYS 97 14.100 -11.281 -2.608 754 2HD LYS 97 2HD LYS 97 15.446 -10.860 -1.551 755 1HE LYS 97 1HE LYS 97 15.468 -13.252 -3.445 756 2HE LYS 97 2HE LYS 97 15.998 -11.645 -3.930 757 1HZ LYS 97 1HZ LYS 97 17.847 -12.927 -3.282 758 2HZ LYS 97 2HZ LYS 97 17.252 -13.240 -1.783 759 3HZ LYS 97 3HZ LYS 97 17.667 -11.700 -2.216 760 H LYS 98 H LYS 98 9.756 -12.136 0.578 761 HA LYS 98 HA LYS 98 9.899 -15.092 0.556 762 1HB LYS 98 1HB LYS 98 8.590 -13.010 2.336 763 2HB LYS 98 2HB LYS 98 8.118 -14.707 2.458 764 1HG LYS 98 1HG LYS 98 11.005 -13.779 2.677 765 2HG LYS 98 2HG LYS 98 9.945 -13.987 4.071 766 1HD LYS 98 1HD LYS 98 9.884 -16.322 3.896 767 2HD LYS 98 2HD LYS 98 10.215 -16.335 2.175 768 1HE LYS 98 1HE LYS 98 12.186 -17.138 3.211 769 2HE LYS 98 2HE LYS 98 12.536 -15.514 2.596 770 1HZ LYS 98 1HZ LYS 98 13.368 -15.803 4.849 771 2HZ LYS 98 2HZ LYS 98 11.865 -16.199 5.392 772 3HZ LYS 98 3HZ LYS 98 12.202 -14.676 4.853 773 H SER 99 H SER 99 7.832 -12.690 -0.885 774 HA SER 99 HA SER 99 6.122 -14.948 -1.753 775 1HB SER 99 1HB SER 99 5.080 -14.059 0.222 776 2HB SER 99 2HB SER 99 5.022 -12.452 -0.474 777 HG SER 99 HG SER 99 3.790 -14.649 -1.790 778 H GLY 100 H GLY 100 7.912 -12.187 -2.613 779 1HA GLY 100 1HA GLY 100 8.216 -11.021 -4.501 780 2HA GLY 100 2HA GLY 100 7.711 -12.429 -5.379 781 H VAL 101 H VAL 101 5.618 -10.753 -3.134 782 HA VAL 101 HA VAL 101 3.454 -10.082 -4.793 783 HB VAL 101 HB VAL 101 4.413 -8.563 -2.371 784 1HG1 VAL 101 1HG1 VAL 101 2.385 -7.766 -2.186 785 2HG1 VAL 101 2HG1 VAL 101 2.203 -8.171 -3.909 786 3HG1 VAL 101 3HG1 VAL 101 1.552 -9.260 -2.675 787 1HG2 VAL 101 1HG2 VAL 101 2.951 -10.211 -1.057 788 2HG2 VAL 101 2HG2 VAL 101 3.303 -11.343 -2.364 789 3HG2 VAL 101 3HG2 VAL 101 4.632 -10.585 -1.419 790 H VAL 102 H VAL 102 3.232 -8.391 -6.289 791 HA VAL 102 HA VAL 102 5.135 -6.131 -6.006 792 HB VAL 102 HB VAL 102 5.569 -6.055 -8.204 793 1HG1 VAL 102 1HG1 VAL 102 5.339 -9.043 -7.957 794 2HG1 VAL 102 2HG1 VAL 102 6.383 -8.139 -9.047 795 3HG1 VAL 102 3HG1 VAL 102 6.665 -8.042 -7.302 796 1HG2 VAL 102 1HG2 VAL 102 3.018 -7.455 -8.807 797 2HG2 VAL 102 2HG2 VAL 102 3.673 -5.953 -9.448 798 3HG2 VAL 102 3HG2 VAL 102 4.331 -7.476 -10.009 799 H LEU 103 H LEU 103 4.292 -4.112 -6.613 800 HA LEU 103 HA LEU 103 1.456 -3.650 -6.132 801 1HB LEU 103 1HB LEU 103 3.823 -2.061 -7.143 802 2HB LEU 103 2HB LEU 103 2.313 -1.318 -7.057 803 HG LEU 103 HG LEU 103 4.201 -2.126 -4.869 804 1HD1 LEU 103 1HD1 LEU 103 3.586 0.142 -4.047 805 2HD1 LEU 103 2HD1 LEU 103 2.199 0.183 -5.165 806 3HD1 LEU 103 3HD1 LEU 103 3.824 0.239 -5.812 807 1HD2 LEU 103 1HD2 LEU 103 2.140 -3.299 -4.084 808 2HD2 LEU 103 2HD2 LEU 103 1.277 -1.761 -4.154 809 3HD2 LEU 103 3HD2 LEU 103 2.633 -1.976 -3.047 810 H HIS 104 H HIS 104 0.005 -3.366 -7.686 811 HA HIS 104 HA HIS 104 0.756 -3.072 -10.547 812 1HB HIS 104 1HB HIS 104 -0.253 -5.539 -9.290 813 2HB HIS 104 2HB HIS 104 -1.140 -5.079 -10.732 814 HD1 HIS 104 HD1 HIS 104 1.951 -4.252 -12.204 815 HD2 HIS 104 HD2 HIS 104 0.429 -7.750 -10.398 816 HE1 HIS 104 HE1 HIS 104 3.154 -6.182 -13.268 817 H ARG 105 H ARG 105 -1.881 -3.076 -8.009 818 HA ARG 105 HA ARG 105 -3.221 -1.103 -9.664 819 1HB ARG 105 1HB ARG 105 -4.029 -3.525 -10.276 820 2HB ARG 105 2HB ARG 105 -4.733 -3.534 -8.671 821 1HG ARG 105 1HG ARG 105 -6.506 -2.821 -10.040 822 2HG ARG 105 2HG ARG 105 -5.905 -1.287 -9.431 823 1HD ARG 105 1HD ARG 105 -4.467 -1.041 -11.434 824 2HD ARG 105 2HD ARG 105 -5.150 -2.533 -12.104 825 HE ARG 105 HE ARG 105 -7.376 -1.031 -11.678 826 1HH1 ARG 105 2HH1 ARG 105 -4.315 -0.356 -13.408 827 2HH1 ARG 105 1HH1 ARG 105 -4.971 1.021 -14.245 828 1HH2 ARG 105 2HH2 ARG 105 -8.234 0.596 -12.890 829 2HH2 ARG 105 1HH2 ARG 105 -7.278 1.548 -14.015 830 H ALA 106 H ALA 106 -4.513 0.304 -8.421 831 HA ALA 106 HA ALA 106 -4.205 0.001 -5.457 832 1HB ALA 106 1HB ALA 106 -4.426 2.438 -7.272 833 2HB ALA 106 2HB ALA 106 -4.360 2.458 -5.511 834 3HB ALA 106 3HB ALA 106 -2.962 1.858 -6.466 835 H VAL 107 H VAL 107 -6.124 -0.499 -4.400 836 HA VAL 107 HA VAL 107 -8.687 -0.404 -5.691 837 HB VAL 107 HB VAL 107 -8.066 -0.657 -2.727 838 1HG1 VAL 107 1HG1 VAL 107 -10.240 -1.640 -2.572 839 2HG1 VAL 107 2HG1 VAL 107 -10.452 -0.076 -3.308 840 3HG1 VAL 107 3HG1 VAL 107 -10.520 -1.533 -4.330 841 1HG2 VAL 107 1HG2 VAL 107 -8.422 -2.765 -4.915 842 2HG2 VAL 107 2HG2 VAL 107 -6.930 -2.428 -3.988 843 3HG2 VAL 107 3HG2 VAL 107 -8.359 -3.053 -3.172 844 HA PRO 108 HA PRO 108 -9.349 3.934 -4.734 845 1HB PRO 108 1HB PRO 108 -11.488 4.415 -6.285 846 2HB PRO 108 2HB PRO 108 -9.832 4.270 -6.957 847 1HG PRO 108 1HG PRO 108 -12.044 2.163 -6.863 848 2HG PRO 108 2HG PRO 108 -10.925 2.525 -8.217 849 1HD PRO 108 1HD PRO 108 -10.628 0.485 -6.355 850 2HD PRO 108 2HD PRO 108 -9.290 1.215 -7.287 851 H SER 109 H SER 109 -9.962 4.128 -2.709 852 HA SER 109 HA SER 109 -12.641 3.245 -1.817 853 1HB SER 109 1HB SER 109 -10.317 3.191 -0.519 854 2HB SER 109 2HB SER 109 -10.737 4.854 -0.113 855 HG SER 109 HG SER 109 -12.396 4.188 1.035 856 H GLY 110 H GLY 110 -10.931 6.128 -2.873 857 1HA GLY 110 1HA GLY 110 -12.134 8.062 -3.681 858 2HA GLY 110 2HA GLY 110 -13.310 7.855 -2.376 859 HA PRO 111 HA PRO 111 -9.621 10.484 -0.934 860 1HB PRO 111 1HB PRO 111 -10.281 13.045 -1.519 861 2HB PRO 111 2HB PRO 111 -9.693 11.939 -2.789 862 1HG PRO 111 1HG PRO 111 -12.595 12.564 -2.095 863 2HG PRO 111 2HG PRO 111 -11.794 12.703 -3.697 864 1HD PRO 111 1HD PRO 111 -13.182 10.461 -2.950 865 2HD PRO 111 2HD PRO 111 -11.707 10.362 -3.960 866 H SER 112 H SER 112 -12.170 9.402 0.283 867 HA SER 112 HA SER 112 -12.886 11.531 2.245 868 1HB SER 112 1HB SER 112 -14.674 9.448 0.934 869 2HB SER 112 2HB SER 112 -15.176 10.686 2.088 870 HG SER 112 HG SER 112 -14.584 12.270 0.532 871 H SER 113 H SER 113 -11.397 10.784 3.707 872 HA SER 113 HA SER 113 -11.638 7.986 4.600 873 1HB SER 113 1HB SER 113 -9.190 9.365 5.416 874 2HB SER 113 2HB SER 113 -9.406 7.848 4.553 875 HG SER 113 HG SER 113 -9.182 10.477 3.568 876 H GLY 114 H GLY 114 -12.828 7.860 6.460 877 1HA GLY 114 1HA GLY 114 -12.868 8.141 8.851 878 2HA GLY 114 2HA GLY 114 -12.229 9.780 8.676 Start of MODEL 8 1 1H GLY 1 H GLY 1 -12.998 13.888 -8.613 2 1HA GLY 1 1HA GLY 1 -15.615 14.950 -7.716 3 2HA GLY 1 2HA GLY 1 -14.331 15.974 -8.365 4 H SER 2 H SER 2 -14.360 16.374 -10.550 5 HA SER 2 HA SER 2 -16.065 14.604 -12.262 6 1HB SER 2 1HB SER 2 -15.645 17.600 -12.395 7 2HB SER 2 2HB SER 2 -16.510 16.624 -13.605 8 HG SER 2 HG SER 2 -17.990 17.425 -12.183 9 H SER 3 H SER 3 -13.418 17.088 -12.787 10 HA SER 3 HA SER 3 -12.332 15.741 -15.010 11 1HB SER 3 1HB SER 3 -11.787 18.072 -14.262 12 2HB SER 3 2HB SER 3 -10.812 17.386 -12.947 13 HG SER 3 HG SER 3 -9.593 16.294 -14.603 14 H GLY 4 H GLY 4 -11.658 15.297 -11.501 15 1HA GLY 4 1HA GLY 4 -10.762 13.535 -10.381 16 2HA GLY 4 2HA GLY 4 -10.856 12.565 -11.860 17 H SER 5 H SER 5 -8.773 12.027 -10.392 18 HA SER 5 HA SER 5 -6.460 13.261 -11.740 19 1HB SER 5 1HB SER 5 -6.766 12.954 -8.735 20 2HB SER 5 2HB SER 5 -5.299 13.493 -9.583 21 HG SER 5 HG SER 5 -6.359 15.354 -9.032 22 H SER 6 H SER 6 -4.451 12.111 -11.171 23 HA SER 6 HA SER 6 -4.688 9.164 -11.290 24 1HB SER 6 1HB SER 6 -3.346 9.420 -13.494 25 2HB SER 6 2HB SER 6 -5.087 9.734 -13.559 26 HG SER 6 HG SER 6 -3.459 11.326 -14.540 27 H GLY 7 H GLY 7 -2.513 11.953 -11.838 28 1HA GLY 7 1HA GLY 7 -0.176 10.668 -10.636 29 2HA GLY 7 2HA GLY 7 -0.297 12.306 -11.307 30 H GLU 8 H GLU 8 -0.701 10.309 -8.484 31 HA GLU 8 HA GLU 8 -1.471 12.640 -6.803 32 1HB GLU 8 1HB GLU 8 -2.520 9.777 -6.720 33 2HB GLU 8 2HB GLU 8 -2.891 11.028 -5.521 34 1HG GLU 8 1HG GLU 8 -3.920 12.438 -7.270 35 2HG GLU 8 2HG GLU 8 -3.566 11.224 -8.493 36 H VAL 9 H VAL 9 1.155 10.978 -7.429 37 HA VAL 9 HA VAL 9 1.914 9.540 -5.174 38 HB VAL 9 HB VAL 9 3.723 11.215 -6.973 39 1HG1 VAL 9 1HG1 VAL 9 5.365 9.431 -6.542 40 2HG1 VAL 9 2HG1 VAL 9 4.802 10.232 -5.070 41 3HG1 VAL 9 3HG1 VAL 9 4.182 8.635 -5.467 42 1HG2 VAL 9 1HG2 VAL 9 2.543 8.464 -7.559 43 2HG2 VAL 9 2HG2 VAL 9 2.296 9.945 -8.516 44 3HG2 VAL 9 3HG2 VAL 9 3.881 9.190 -8.455 45 H GLN 10 H GLN 10 2.434 12.960 -6.008 46 HA GLN 10 HA GLN 10 4.078 13.422 -3.681 47 1HB GLN 10 1HB GLN 10 2.967 15.440 -5.646 48 2HB GLN 10 2HB GLN 10 4.385 15.633 -4.619 49 1HG GLN 10 1HG GLN 10 4.114 13.711 -6.973 50 2HG GLN 10 2HG GLN 10 4.885 15.284 -7.017 51 1HE2 GLN 10 2HE2 GLN 10 5.805 12.131 -7.123 52 2HE2 GLN 10 1HE2 GLN 10 7.289 12.283 -6.238 53 H LYS 11 H LYS 11 0.738 13.276 -4.101 54 HA LYS 11 HA LYS 11 -0.142 15.417 -2.333 55 1HB LYS 11 1HB LYS 11 -1.480 12.808 -3.212 56 2HB LYS 11 2HB LYS 11 -2.250 14.010 -2.220 57 1HG LYS 11 1HG LYS 11 -1.592 15.690 -4.120 58 2HG LYS 11 2HG LYS 11 -1.429 14.226 -5.107 59 1HD LYS 11 1HD LYS 11 -3.791 13.630 -4.580 60 2HD LYS 11 2HD LYS 11 -3.906 15.076 -3.538 61 1HE LYS 11 1HE LYS 11 -3.218 16.455 -5.583 62 2HE LYS 11 2HE LYS 11 -3.463 14.989 -6.550 63 1HZ LYS 11 1HZ LYS 11 -5.431 16.284 -6.580 64 2HZ LYS 11 2HZ LYS 11 -5.517 16.413 -4.948 65 3HZ LYS 11 3HZ LYS 11 -5.758 14.957 -5.706 66 HA PRO 12 HA PRO 12 0.613 13.388 1.570 67 1HB PRO 12 1HB PRO 12 -1.692 13.784 3.006 68 2HB PRO 12 2HB PRO 12 -0.496 15.072 2.726 69 1HG PRO 12 1HG PRO 12 -3.055 14.563 1.227 70 2HG PRO 12 2HG PRO 12 -2.403 16.128 1.816 71 1HD PRO 12 1HD PRO 12 -2.109 15.376 -0.752 72 2HD PRO 12 2HD PRO 12 -0.815 16.231 0.089 73 H LEU 13 H LEU 13 -0.105 11.545 2.785 74 HA LEU 13 HA LEU 13 -1.281 9.393 1.323 75 1HB LEU 13 1HB LEU 13 0.266 9.297 3.197 76 2HB LEU 13 2HB LEU 13 -0.994 9.817 4.327 77 HG LEU 13 HG LEU 13 -1.342 7.318 2.593 78 1HD1 LEU 13 1HD1 LEU 13 0.790 7.422 4.179 79 2HD1 LEU 13 2HD1 LEU 13 -0.293 6.010 4.319 80 3HD1 LEU 13 3HD1 LEU 13 -0.354 7.339 5.495 81 1HD2 LEU 13 1HD2 LEU 13 -2.545 8.186 5.262 82 2HD2 LEU 13 2HD2 LEU 13 -2.677 6.560 4.572 83 3HD2 LEU 13 3HD2 LEU 13 -3.398 7.922 3.730 84 H HIS 14 H HIS 14 -2.656 11.879 3.464 85 HA HIS 14 HA HIS 14 -5.134 10.577 3.767 86 1HB HIS 14 1HB HIS 14 -5.819 12.526 4.972 87 2HB HIS 14 2HB HIS 14 -4.154 12.163 5.377 88 HD1 HIS 14 HD1 HIS 14 -6.118 14.631 3.089 89 HD2 HIS 14 HD2 HIS 14 -2.689 14.311 5.536 90 HE1 HIS 14 HE1 HIS 14 -5.026 16.921 3.104 91 H GLU 15 H GLU 15 -4.106 11.683 0.863 92 HA GLU 15 HA GLU 15 -6.824 12.508 -0.095 93 1HB GLU 15 1HB GLU 15 -4.076 13.688 -0.687 94 2HB GLU 15 2HB GLU 15 -5.383 13.892 -1.830 95 1HG GLU 15 1HG GLU 15 -5.623 14.795 1.042 96 2HG GLU 15 2HG GLU 15 -4.987 15.802 -0.256 97 H GLN 16 H GLN 16 -4.886 9.977 -0.060 98 HA GLN 16 HA GLN 16 -4.419 9.413 -2.832 99 1HB GLN 16 1HB GLN 16 -4.489 7.748 -0.275 100 2HB GLN 16 2HB GLN 16 -3.977 7.064 -1.802 101 1HG GLN 16 1HG GLN 16 -2.701 9.404 -0.353 102 2HG GLN 16 2HG GLN 16 -2.022 7.799 -0.547 103 1HE2 GLN 16 2HE2 GLN 16 -1.424 10.813 -1.456 104 2HE2 GLN 16 1HE2 GLN 16 -0.936 10.571 -3.132 105 H LEU 17 H LEU 17 -5.209 6.856 -3.127 106 HA LEU 17 HA LEU 17 -8.165 6.974 -3.421 107 1HB LEU 17 1HB LEU 17 -7.634 5.169 -5.293 108 2HB LEU 17 2HB LEU 17 -7.840 6.829 -5.638 109 HG LEU 17 HG LEU 17 -5.094 5.564 -5.146 110 1HD1 LEU 17 1HD1 LEU 17 -6.440 5.813 -7.849 111 2HD1 LEU 17 2HD1 LEU 17 -6.254 4.300 -6.943 112 3HD1 LEU 17 3HD1 LEU 17 -4.827 5.165 -7.516 113 1HD2 LEU 17 1HD2 LEU 17 -4.680 7.528 -7.025 114 2HD2 LEU 17 2HD2 LEU 17 -4.572 7.814 -5.275 115 3HD2 LEU 17 3HD2 LEU 17 -6.050 8.198 -6.166 116 H TRP 18 H TRP 18 -5.289 5.037 -2.938 117 HA TRP 18 HA TRP 18 -6.683 2.557 -2.282 118 1HB TRP 18 1HB TRP 18 -4.267 1.877 -1.892 119 2HB TRP 18 2HB TRP 18 -4.858 2.153 -3.502 120 HD1 TRP 18 HD1 TRP 18 -3.422 3.748 -4.969 121 HE1 TRP 18 HE1 TRP 18 -1.338 5.115 -4.610 122 HE3 TRP 18 HE3 TRP 18 -3.352 3.779 0.173 123 HZ2 TRP 18 HZ2 TRP 18 0.150 6.110 -2.443 124 HZ3 TRP 18 HZ3 TRP 18 -1.592 4.982 1.374 125 HH2 TRP 18 HH2 TRP 18 0.233 6.129 0.107 126 H TYR 19 H TYR 19 -6.353 5.238 -0.506 127 HA TYR 19 HA TYR 19 -5.692 3.868 2.022 128 1HB TYR 19 1HB TYR 19 -4.547 5.958 1.554 129 2HB TYR 19 2HB TYR 19 -6.057 6.819 1.379 130 HD1 TYR 19 HD1 TYR 19 -4.617 4.315 3.807 131 HD2 TYR 19 HD2 TYR 19 -6.419 8.198 3.322 132 HE1 TYR 19 HE1 TYR 19 -4.640 4.569 6.235 133 HE2 TYR 19 HE2 TYR 19 -6.362 8.523 5.762 134 HH TYR 19 HH TYR 19 -5.579 7.572 7.907 135 H HIS 20 H HIS 20 -7.496 2.628 2.580 136 HA HIS 20 HA HIS 20 -10.238 3.707 2.315 137 1HB HIS 20 1HB HIS 20 -8.990 1.047 3.083 138 2HB HIS 20 2HB HIS 20 -10.615 1.459 3.649 139 HD1 HIS 20 HD1 HIS 20 -12.527 0.938 1.965 140 HD2 HIS 20 HD2 HIS 20 -8.566 0.739 0.525 141 HE1 HIS 20 HE1 HIS 20 -12.695 0.012 -0.382 142 H GLY 21 H GLY 21 -7.598 3.713 4.689 143 1HA GLY 21 1HA GLY 21 -7.596 4.835 6.641 144 2HA GLY 21 2HA GLY 21 -9.345 4.673 6.782 145 H ALA 22 H ALA 22 -9.392 3.737 8.540 146 HA ALA 22 HA ALA 22 -7.652 1.513 9.387 147 1HB ALA 22 1HB ALA 22 -8.090 3.318 10.970 148 2HB ALA 22 2HB ALA 22 -9.833 2.974 10.915 149 3HB ALA 22 3HB ALA 22 -8.703 1.760 11.569 150 H ILE 23 H ILE 23 -8.277 -0.161 8.053 151 HA ILE 23 HA ILE 23 -10.997 -1.248 8.456 152 HB ILE 23 HB ILE 23 -11.269 -1.389 6.323 153 1HG1 ILE 23 1HG1 ILE 23 -8.623 -2.855 5.968 154 2HG1 ILE 23 2HG1 ILE 23 -10.217 -3.551 6.295 155 1HG2 ILE 23 1HG2 ILE 23 -9.992 0.706 6.159 156 2HG2 ILE 23 2HG2 ILE 23 -8.504 -0.238 5.803 157 3HG2 ILE 23 3HG2 ILE 23 -9.886 -0.278 4.716 158 1HD1 ILE 23 1HD1 ILE 23 -9.415 -2.199 3.741 159 2HD1 ILE 23 2HD1 ILE 23 -9.828 -3.898 4.026 160 3HD1 ILE 23 3HD1 ILE 23 -11.077 -2.645 4.188 161 HA PRO 24 HA PRO 24 -9.227 -4.947 10.251 162 1HB PRO 24 1HB PRO 24 -11.245 -6.748 9.792 163 2HB PRO 24 2HB PRO 24 -11.431 -5.377 10.952 164 1HG PRO 24 1HG PRO 24 -12.303 -5.609 8.067 165 2HG PRO 24 2HG PRO 24 -13.277 -5.066 9.459 166 1HD PRO 24 1HD PRO 24 -12.042 -3.308 7.771 167 2HD PRO 24 2HD PRO 24 -12.179 -2.975 9.519 168 H ARG 25 H ARG 25 -8.551 -7.200 9.669 169 HA ARG 25 HA ARG 25 -7.648 -7.457 6.947 170 1HB ARG 25 1HB ARG 25 -6.761 -9.555 7.540 171 2HB ARG 25 2HB ARG 25 -6.649 -8.593 9.015 172 1HG ARG 25 1HG ARG 25 -8.710 -9.751 9.885 173 2HG ARG 25 2HG ARG 25 -8.728 -10.746 8.419 174 1HD ARG 25 1HD ARG 25 -6.449 -11.547 8.939 175 2HD ARG 25 2HD ARG 25 -6.484 -10.618 10.454 176 HE ARG 25 HE ARG 25 -8.698 -12.089 10.754 177 1HH1 ARG 25 2HH1 ARG 25 -5.393 -13.057 9.952 178 2HH1 ARG 25 1HH1 ARG 25 -5.535 -14.631 10.686 179 1HH2 ARG 25 2HH2 ARG 25 -8.971 -14.259 11.476 180 2HH2 ARG 25 1HH2 ARG 25 -7.692 -15.401 11.265 181 H ALA 26 H ALA 26 -10.632 -8.352 8.488 182 HA ALA 26 HA ALA 26 -11.387 -10.422 6.700 183 1HB ALA 26 1HB ALA 26 -13.632 -10.044 7.755 184 2HB ALA 26 2HB ALA 26 -12.321 -10.105 8.963 185 3HB ALA 26 3HB ALA 26 -13.035 -8.546 8.478 186 H GLU 27 H GLU 27 -11.925 -6.909 6.583 187 HA GLU 27 HA GLU 27 -13.804 -6.897 4.429 188 1HB GLU 27 1HB GLU 27 -11.903 -4.986 5.790 189 2HB GLU 27 2HB GLU 27 -12.671 -4.463 4.270 190 1HG GLU 27 1HG GLU 27 -14.177 -5.482 6.712 191 2HG GLU 27 2HG GLU 27 -13.837 -3.786 6.390 192 H VAL 28 H VAL 28 -10.302 -6.811 4.551 193 HA VAL 28 HA VAL 28 -9.527 -5.816 2.218 194 HB VAL 28 HB VAL 28 -8.318 -8.257 3.564 195 1HG1 VAL 28 1HG1 VAL 28 -6.236 -7.553 2.558 196 2HG1 VAL 28 2HG1 VAL 28 -7.393 -8.022 1.325 197 3HG1 VAL 28 3HG1 VAL 28 -7.078 -6.292 1.615 198 1HG2 VAL 28 1HG2 VAL 28 -8.514 -6.289 5.048 199 2HG2 VAL 28 2HG2 VAL 28 -6.827 -6.618 4.654 200 3HG2 VAL 28 3HG2 VAL 28 -7.689 -5.280 3.851 201 H ALA 29 H ALA 29 -10.068 -9.426 2.369 202 HA ALA 29 HA ALA 29 -9.357 -9.662 -0.366 203 1HB ALA 29 1HB ALA 29 -9.573 -11.523 1.416 204 2HB ALA 29 2HB ALA 29 -11.254 -11.624 0.846 205 3HB ALA 29 3HB ALA 29 -9.896 -11.882 -0.295 206 H GLU 30 H GLU 30 -12.394 -8.527 0.900 207 HA GLU 30 HA GLU 30 -13.992 -9.199 -1.470 208 1HB GLU 30 1HB GLU 30 -15.258 -9.008 0.452 209 2HB GLU 30 2HB GLU 30 -14.359 -7.652 1.096 210 1HG GLU 30 1HG GLU 30 -15.319 -6.092 -0.486 211 2HG GLU 30 2HG GLU 30 -16.209 -7.408 -1.300 212 H LEU 31 H LEU 31 -11.805 -6.682 -0.365 213 HA LEU 31 HA LEU 31 -12.643 -4.719 -2.359 214 1HB LEU 31 1HB LEU 31 -10.263 -4.760 -0.446 215 2HB LEU 31 2HB LEU 31 -10.820 -3.399 -1.372 216 HG LEU 31 HG LEU 31 -12.547 -4.773 0.757 217 1HD1 LEU 31 1HD1 LEU 31 -12.074 -2.862 2.165 218 2HD1 LEU 31 2HD1 LEU 31 -10.941 -2.216 0.964 219 3HD1 LEU 31 3HD1 LEU 31 -10.593 -3.766 1.780 220 1HD2 LEU 31 1HD2 LEU 31 -12.805 -2.188 -0.854 221 2HD2 LEU 31 2HD2 LEU 31 -13.778 -2.550 0.576 222 3HD2 LEU 31 3HD2 LEU 31 -13.906 -3.586 -0.839 223 H LEU 32 H LEU 32 -9.972 -6.981 -1.695 224 HA LEU 32 HA LEU 32 -8.618 -6.255 -4.199 225 1HB LEU 32 1HB LEU 32 -7.613 -8.422 -2.387 226 2HB LEU 32 2HB LEU 32 -6.751 -7.286 -3.413 227 HG LEU 32 HG LEU 32 -7.900 -6.762 -0.669 228 1HD1 LEU 32 1HD1 LEU 32 -5.558 -6.554 -0.040 229 2HD1 LEU 32 2HD1 LEU 32 -5.102 -6.883 -1.715 230 3HD1 LEU 32 3HD1 LEU 32 -5.918 -8.149 -0.741 231 1HD2 LEU 32 1HD2 LEU 32 -8.083 -4.674 -1.747 232 2HD2 LEU 32 2HD2 LEU 32 -6.496 -4.859 -2.558 233 3HD2 LEU 32 3HD2 LEU 32 -6.576 -4.610 -0.815 234 H VAL 33 H VAL 33 -9.274 -7.325 -5.981 235 HA VAL 33 HA VAL 33 -10.038 -10.217 -5.754 236 HB VAL 33 HB VAL 33 -11.055 -8.273 -7.869 237 1HG1 VAL 33 1HG1 VAL 33 -12.108 -10.944 -6.856 238 2HG1 VAL 33 2HG1 VAL 33 -12.886 -9.938 -8.098 239 3HG1 VAL 33 3HG1 VAL 33 -11.300 -10.651 -8.410 240 1HG2 VAL 33 1HG2 VAL 33 -12.345 -8.839 -5.179 241 2HG2 VAL 33 2HG2 VAL 33 -11.879 -7.262 -5.873 242 3HG2 VAL 33 3HG2 VAL 33 -13.203 -8.175 -6.583 243 H HIS 34 H HIS 34 -8.240 -7.701 -7.487 244 HA HIS 34 HA HIS 34 -7.295 -9.592 -9.529 245 1HB HIS 34 1HB HIS 34 -6.293 -6.787 -9.016 246 2HB HIS 34 2HB HIS 34 -6.251 -7.710 -10.508 247 HD1 HIS 34 HD1 HIS 34 -8.113 -5.007 -8.955 248 HD2 HIS 34 HD2 HIS 34 -9.295 -8.583 -10.799 249 HE1 HIS 34 HE1 HIS 34 -10.592 -4.779 -9.436 250 H SER 35 H SER 35 -5.283 -10.598 -9.410 251 HA SER 35 HA SER 35 -3.790 -10.598 -6.955 252 1HB SER 35 1HB SER 35 -2.168 -11.803 -8.587 253 2HB SER 35 2HB SER 35 -3.653 -12.591 -8.043 254 HG SER 35 HG SER 35 -3.558 -11.114 -10.478 255 H GLY 36 H GLY 36 -3.375 -8.440 -6.630 256 1HA GLY 36 1HA GLY 36 -1.044 -7.114 -7.245 257 2HA GLY 36 2HA GLY 36 -2.104 -6.853 -8.659 258 H ASP 37 H ASP 37 -4.524 -6.931 -6.771 259 HA ASP 37 HA ASP 37 -4.945 -4.136 -6.419 260 1HB ASP 37 1HB ASP 37 -6.278 -6.670 -5.474 261 2HB ASP 37 2HB ASP 37 -6.717 -5.139 -4.728 262 H PHE 38 H PHE 38 -4.406 -2.817 -4.739 263 HA PHE 38 HA PHE 38 -3.657 -4.030 -2.159 264 1HB PHE 38 1HB PHE 38 -1.671 -2.638 -2.026 265 2HB PHE 38 2HB PHE 38 -1.588 -3.667 -3.426 266 HD1 PHE 38 HD1 PHE 38 -0.921 -2.828 -5.473 267 HD2 PHE 38 HD2 PHE 38 -2.591 -0.127 -2.532 268 HE1 PHE 38 HE1 PHE 38 -0.391 -0.882 -6.927 269 HE2 PHE 38 HE2 PHE 38 -1.812 1.777 -3.863 270 HZ PHE 38 HZ PHE 38 -0.842 1.428 -6.090 271 H LEU 39 H LEU 39 -3.746 -2.597 -0.313 272 HA LEU 39 HA LEU 39 -4.861 0.073 -0.544 273 1HB LEU 39 1HB LEU 39 -6.786 -0.214 0.635 274 2HB LEU 39 2HB LEU 39 -6.812 -1.450 -0.580 275 HG LEU 39 HG LEU 39 -5.831 -2.950 1.489 276 1HD1 LEU 39 1HD1 LEU 39 -7.370 -0.771 2.871 277 2HD1 LEU 39 2HD1 LEU 39 -5.698 -1.315 3.160 278 3HD1 LEU 39 3HD1 LEU 39 -7.048 -2.396 3.516 279 1HD2 LEU 39 1HD2 LEU 39 -8.107 -3.714 1.840 280 2HD2 LEU 39 2HD2 LEU 39 -7.988 -3.237 0.141 281 3HD2 LEU 39 3HD2 LEU 39 -8.747 -2.143 1.286 282 H VAL 40 H VAL 40 -4.825 1.086 1.709 283 HA VAL 40 HA VAL 40 -2.478 -0.024 3.283 284 HB VAL 40 HB VAL 40 -3.045 2.865 2.453 285 1HG1 VAL 40 1HG1 VAL 40 -2.081 2.905 4.705 286 2HG1 VAL 40 2HG1 VAL 40 -0.820 1.742 4.219 287 3HG1 VAL 40 3HG1 VAL 40 -0.856 3.385 3.539 288 1HG2 VAL 40 1HG2 VAL 40 -2.089 1.610 0.626 289 2HG2 VAL 40 2HG2 VAL 40 -0.809 2.607 1.318 290 3HG2 VAL 40 3HG2 VAL 40 -0.858 0.890 1.721 291 H ARG 41 H ARG 41 -3.834 -0.994 4.797 292 HA ARG 41 HA ARG 41 -5.938 0.680 5.945 293 1HB ARG 41 1HB ARG 41 -6.705 -1.320 7.114 294 2HB ARG 41 2HB ARG 41 -6.375 -1.686 5.405 295 1HG ARG 41 1HG ARG 41 -4.115 -2.485 6.085 296 2HG ARG 41 2HG ARG 41 -4.565 -2.325 7.792 297 1HD ARG 41 1HD ARG 41 -6.317 -3.970 5.956 298 2HD ARG 41 2HD ARG 41 -4.692 -4.532 6.392 299 HE ARG 41 HE ARG 41 -6.591 -3.786 8.535 300 1HH1 ARG 41 2HH1 ARG 41 -4.857 -6.371 6.804 301 2HH1 ARG 41 1HH1 ARG 41 -4.690 -7.394 8.218 302 1HH2 ARG 41 2HH2 ARG 41 -6.252 -5.123 10.400 303 2HH2 ARG 41 1HH2 ARG 41 -5.640 -6.756 10.224 304 H GLU 42 H GLU 42 -6.133 0.995 8.305 305 HA GLU 42 HA GLU 42 -3.504 1.222 9.666 306 1HB GLU 42 1HB GLU 42 -5.258 2.973 9.848 307 2HB GLU 42 2HB GLU 42 -6.205 1.866 10.867 308 1HG GLU 42 1HG GLU 42 -3.359 2.286 11.623 309 2HG GLU 42 2HG GLU 42 -4.400 3.701 11.789 310 H SER 43 H SER 43 -3.263 0.313 11.845 311 HA SER 43 HA SER 43 -3.803 -2.463 12.019 312 1HB SER 43 1HB SER 43 -2.017 -0.658 13.154 313 2HB SER 43 2HB SER 43 -3.111 -0.950 14.494 314 HG SER 43 HG SER 43 -2.581 -3.145 14.389 315 H GLN 44 H GLN 44 -4.585 -3.095 14.390 316 HA GLN 44 HA GLN 44 -7.389 -2.390 14.594 317 1HB GLN 44 1HB GLN 44 -7.377 -4.031 16.483 318 2HB GLN 44 2HB GLN 44 -6.985 -4.679 14.912 319 1HG GLN 44 1HG GLN 44 -4.875 -4.002 17.015 320 2HG GLN 44 2HG GLN 44 -5.635 -5.581 16.852 321 1HE2 GLN 44 2HE2 GLN 44 -2.719 -4.410 16.268 322 2HE2 GLN 44 1HE2 GLN 44 -2.416 -5.137 14.683 323 H GLY 45 H GLY 45 -6.494 -0.018 14.881 324 1HA GLY 45 1HA GLY 45 -6.619 1.777 16.275 325 2HA GLY 45 2HA GLY 45 -7.051 0.699 17.611 326 H LYS 46 H LYS 46 -4.194 1.351 15.534 327 HA LYS 46 HA LYS 46 -2.612 2.071 17.913 328 1HB LYS 46 1HB LYS 46 -1.527 0.386 15.607 329 2HB LYS 46 2HB LYS 46 -0.603 1.002 16.973 330 1HG LYS 46 1HG LYS 46 -2.839 -1.051 17.159 331 2HG LYS 46 2HG LYS 46 -1.125 -1.428 17.160 332 1HD LYS 46 1HD LYS 46 -2.162 0.487 19.267 333 2HD LYS 46 2HD LYS 46 -2.552 -1.195 19.392 334 1HE LYS 46 1HE LYS 46 -0.649 -0.806 20.721 335 2HE LYS 46 2HE LYS 46 -0.163 -1.816 19.369 336 1HZ LYS 46 1HZ LYS 46 0.327 1.107 19.537 337 2HZ LYS 46 2HZ LYS 46 0.904 0.074 18.369 338 3HZ LYS 46 3HZ LYS 46 1.419 -0.069 19.902 339 H GLN 47 H GLN 47 -0.353 2.632 15.957 340 HA GLN 47 HA GLN 47 -1.554 4.896 14.460 341 1HB GLN 47 1HB GLN 47 0.929 5.038 16.199 342 2HB GLN 47 2HB GLN 47 0.270 6.343 15.209 343 1HG GLN 47 1HG GLN 47 -1.776 6.384 16.551 344 2HG GLN 47 2HG GLN 47 -1.198 5.065 17.569 345 1HE2 GLN 47 2HE2 GLN 47 -1.754 8.164 17.996 346 2HE2 GLN 47 1HE2 GLN 47 -0.349 8.586 18.978 347 H GLU 48 H GLU 48 -1.098 2.420 13.369 348 HA GLU 48 HA GLU 48 1.424 2.629 11.857 349 1HB GLU 48 1HB GLU 48 1.877 1.313 13.886 350 2HB GLU 48 2HB GLU 48 0.411 0.377 13.606 351 1HG GLU 48 1HG GLU 48 2.190 -1.021 13.010 352 2HG GLU 48 2HG GLU 48 1.474 -0.537 11.489 353 H TYR 49 H TYR 49 1.132 1.929 9.806 354 HA TYR 49 HA TYR 49 -1.544 0.904 9.055 355 1HB TYR 49 1HB TYR 49 0.697 2.064 7.421 356 2HB TYR 49 2HB TYR 49 -0.858 1.523 6.749 357 HD1 TYR 49 HD1 TYR 49 0.978 4.305 7.687 358 HD2 TYR 49 HD2 TYR 49 -2.967 2.640 8.089 359 HE1 TYR 49 HE1 TYR 49 0.095 6.552 8.155 360 HE2 TYR 49 HE2 TYR 49 -3.859 4.904 8.696 361 HH TYR 49 HH TYR 49 -1.644 7.619 9.239 362 H VAL 50 H VAL 50 -1.674 -0.696 7.331 363 HA VAL 50 HA VAL 50 0.446 -2.765 7.336 364 HB VAL 50 HB VAL 50 -2.554 -3.022 7.735 365 1HG1 VAL 50 1HG1 VAL 50 -1.896 -4.792 6.153 366 2HG1 VAL 50 2HG1 VAL 50 -0.515 -5.229 7.163 367 3HG1 VAL 50 3HG1 VAL 50 -2.182 -5.523 7.728 368 1HG2 VAL 50 1HG2 VAL 50 -0.382 -4.239 9.405 369 2HG2 VAL 50 2HG2 VAL 50 -1.148 -2.677 9.801 370 3HG2 VAL 50 3HG2 VAL 50 -2.120 -4.158 9.776 371 H LEU 51 H LEU 51 1.013 -3.145 5.266 372 HA LEU 51 HA LEU 51 -0.616 -2.195 3.045 373 1HB LEU 51 1HB LEU 51 2.031 -2.540 3.128 374 2HB LEU 51 2HB LEU 51 1.653 -4.233 2.897 375 HG LEU 51 HG LEU 51 0.116 -3.302 0.906 376 1HD1 LEU 51 1HD1 LEU 51 1.179 -1.313 -0.119 377 2HD1 LEU 51 2HD1 LEU 51 2.234 -1.138 1.284 378 3HD1 LEU 51 3HD1 LEU 51 0.477 -0.932 1.462 379 1HD2 LEU 51 1HD2 LEU 51 1.981 -3.551 -0.643 380 2HD2 LEU 51 2HD2 LEU 51 1.978 -4.801 0.615 381 3HD2 LEU 51 3HD2 LEU 51 3.138 -3.446 0.714 382 H SER 52 H SER 52 -2.241 -3.329 2.126 383 HA SER 52 HA SER 52 -2.347 -6.265 2.603 384 1HB SER 52 1HB SER 52 -4.645 -4.278 2.605 385 2HB SER 52 2HB SER 52 -4.776 -6.039 2.778 386 HG SER 52 HG SER 52 -3.261 -4.316 4.416 387 H VAL 53 H VAL 53 -1.795 -7.078 0.660 388 HA VAL 53 HA VAL 53 -2.987 -6.008 -1.770 389 HB VAL 53 HB VAL 53 -0.801 -5.106 -1.750 390 1HG1 VAL 53 1HG1 VAL 53 0.261 -6.447 0.009 391 2HG1 VAL 53 2HG1 VAL 53 0.335 -7.843 -1.100 392 3HG1 VAL 53 3HG1 VAL 53 1.231 -6.341 -1.446 393 1HG2 VAL 53 1HG2 VAL 53 -0.616 -7.604 -3.491 394 2HG2 VAL 53 2HG2 VAL 53 -1.444 -6.098 -3.936 395 3HG2 VAL 53 3HG2 VAL 53 0.300 -6.099 -3.680 396 H LEU 54 H LEU 54 -3.504 -7.669 -3.283 397 HA LEU 54 HA LEU 54 -3.784 -10.389 -2.091 398 1HB LEU 54 1HB LEU 54 -5.706 -9.096 -3.109 399 2HB LEU 54 2HB LEU 54 -4.939 -9.266 -4.673 400 HG LEU 54 HG LEU 54 -5.032 -11.872 -3.953 401 1HD1 LEU 54 1HD1 LEU 54 -5.891 -11.281 -1.722 402 2HD1 LEU 54 2HD1 LEU 54 -6.834 -12.493 -2.606 403 3HD1 LEU 54 3HD1 LEU 54 -7.431 -10.823 -2.484 404 1HD2 LEU 54 1HD2 LEU 54 -7.243 -12.069 -5.078 405 2HD2 LEU 54 2HD2 LEU 54 -6.094 -11.051 -5.964 406 3HD2 LEU 54 3HD2 LEU 54 -7.392 -10.307 -5.006 407 H TRP 55 H TRP 55 -2.288 -11.909 -2.738 408 HA TRP 55 HA TRP 55 -0.950 -11.500 -5.372 409 1HB TRP 55 1HB TRP 55 0.360 -10.773 -3.226 410 2HB TRP 55 2HB TRP 55 0.580 -12.494 -2.964 411 HD1 TRP 55 HD1 TRP 55 2.770 -13.313 -3.971 412 HE1 TRP 55 HE1 TRP 55 4.190 -12.818 -6.110 413 HE3 TRP 55 HE3 TRP 55 0.099 -9.374 -5.879 414 HZ2 TRP 55 HZ2 TRP 55 4.222 -10.895 -8.234 415 HZ3 TRP 55 HZ3 TRP 55 0.871 -8.228 -7.928 416 HH2 TRP 55 HH2 TRP 55 2.880 -9.063 -9.163 417 H ASP 56 H ASP 56 -1.457 -13.195 -6.591 418 HA ASP 56 HA ASP 56 -2.407 -15.141 -7.205 419 1HB ASP 56 1HB ASP 56 -0.059 -15.797 -6.743 420 2HB ASP 56 2HB ASP 56 -0.542 -16.365 -5.144 421 H GLY 57 H GLY 57 -4.171 -13.881 -5.777 422 1HA GLY 57 1HA GLY 57 -6.166 -14.122 -4.730 423 2HA GLY 57 2HA GLY 57 -5.979 -15.853 -4.951 424 H LEU 58 H LEU 58 -3.675 -14.009 -3.112 425 HA LEU 58 HA LEU 58 -4.750 -14.978 -0.513 426 1HB LEU 58 1HB LEU 58 -3.074 -16.432 -0.745 427 2HB LEU 58 2HB LEU 58 -2.049 -15.339 -1.660 428 HG LEU 58 HG LEU 58 -1.590 -14.030 0.430 429 1HD1 LEU 58 1HD1 LEU 58 -2.998 -16.301 1.819 430 2HD1 LEU 58 2HD1 LEU 58 -3.603 -14.637 1.739 431 3HD1 LEU 58 3HD1 LEU 58 -2.095 -14.971 2.593 432 1HD2 LEU 58 1HD2 LEU 58 -0.130 -15.831 1.381 433 2HD2 LEU 58 2HD2 LEU 58 -0.023 -15.603 -0.382 434 3HD2 LEU 58 3HD2 LEU 58 -0.965 -16.951 0.266 435 HA PRO 59 HA PRO 59 -4.224 -10.458 -0.103 436 1HB PRO 59 1HB PRO 59 -5.902 -10.101 2.016 437 2HB PRO 59 2HB PRO 59 -6.495 -10.354 0.352 438 1HG PRO 59 1HG PRO 59 -6.151 -12.396 2.542 439 2HG PRO 59 2HG PRO 59 -7.583 -12.130 1.483 440 1HD PRO 59 1HD PRO 59 -5.707 -14.059 1.086 441 2HD PRO 59 2HD PRO 59 -6.570 -13.266 -0.265 442 H ARG 60 H ARG 60 -1.875 -11.021 0.394 443 HA ARG 60 HA ARG 60 -1.070 -11.713 3.025 444 1HB ARG 60 1HB ARG 60 0.147 -10.011 0.815 445 2HB ARG 60 2HB ARG 60 1.031 -10.479 2.255 446 1HG ARG 60 1HG ARG 60 -0.148 -12.491 0.293 447 2HG ARG 60 2HG ARG 60 1.478 -11.890 0.235 448 1HD ARG 60 1HD ARG 60 1.039 -12.513 2.986 449 2HD ARG 60 2HD ARG 60 0.198 -13.805 2.161 450 HE ARG 60 HE ARG 60 2.584 -14.027 1.002 451 1HH1 ARG 60 2HH1 ARG 60 1.768 -13.470 4.451 452 2HH1 ARG 60 1HH1 ARG 60 2.970 -14.546 5.025 453 1HH2 ARG 60 2HH2 ARG 60 4.463 -14.996 1.814 454 2HH2 ARG 60 1HH2 ARG 60 4.772 -15.163 3.503 455 H HIS 61 H HIS 61 -0.120 -10.387 4.539 456 HA HIS 61 HA HIS 61 -0.990 -7.555 4.657 457 1HB HIS 61 1HB HIS 61 -1.656 -7.811 6.973 458 2HB HIS 61 2HB HIS 61 -2.610 -8.875 5.953 459 HD1 HIS 61 HD1 HIS 61 -0.390 -8.917 8.944 460 HD2 HIS 61 HD2 HIS 61 -1.806 -11.614 6.032 461 HE1 HIS 61 HE1 HIS 61 0.375 -11.245 9.686 462 H PHE 62 H PHE 62 0.920 -6.470 4.586 463 HA PHE 62 HA PHE 62 3.192 -7.441 6.288 464 1HB PHE 62 1HB PHE 62 3.443 -5.874 3.699 465 2HB PHE 62 2HB PHE 62 4.737 -6.513 4.688 466 HD1 PHE 62 HD1 PHE 62 2.295 -7.146 2.064 467 HD2 PHE 62 HD2 PHE 62 5.222 -9.050 4.600 468 HE1 PHE 62 HE1 PHE 62 2.367 -9.036 0.544 469 HE2 PHE 62 HE2 PHE 62 5.298 -10.974 3.040 470 HZ PHE 62 HZ PHE 62 3.923 -11.002 0.971 471 H ILE 63 H ILE 63 3.248 -6.079 8.025 472 HA ILE 63 HA ILE 63 2.014 -3.571 8.286 473 HB ILE 63 HB ILE 63 4.377 -4.869 9.621 474 1HG1 ILE 63 1HG1 ILE 63 1.886 -5.476 10.013 475 2HG1 ILE 63 2HG1 ILE 63 2.935 -5.218 11.390 476 1HG2 ILE 63 1HG2 ILE 63 3.394 -2.037 10.118 477 2HG2 ILE 63 2HG2 ILE 63 4.295 -2.983 11.330 478 3HG2 ILE 63 3HG2 ILE 63 5.041 -2.588 9.790 479 1HD1 ILE 63 1HD1 ILE 63 0.573 -4.163 11.495 480 2HD1 ILE 63 2HD1 ILE 63 1.934 -3.125 11.936 481 3HD1 ILE 63 3HD1 ILE 63 1.178 -2.967 10.348 482 H ILE 64 H ILE 64 2.517 -1.484 7.792 483 HA ILE 64 HA ILE 64 4.256 -1.042 5.555 484 HB ILE 64 HB ILE 64 2.819 0.827 7.477 485 1HG1 ILE 64 1HG1 ILE 64 1.400 -0.586 5.976 486 2HG1 ILE 64 2HG1 ILE 64 1.234 1.125 5.644 487 1HG2 ILE 64 1HG2 ILE 64 4.607 2.178 6.684 488 2HG2 ILE 64 2HG2 ILE 64 4.433 1.585 5.016 489 3HG2 ILE 64 3HG2 ILE 64 3.179 2.602 5.749 490 1HD1 ILE 64 1HD1 ILE 64 2.887 -0.725 3.946 491 2HD1 ILE 64 2HD1 ILE 64 1.234 -0.131 3.630 492 3HD1 ILE 64 3HD1 ILE 64 2.588 1.006 3.698 493 H GLN 65 H GLN 65 6.131 -0.026 5.432 494 HA GLN 65 HA GLN 65 8.174 -0.784 7.281 495 1HB GLN 65 1HB GLN 65 8.398 1.460 5.245 496 2HB GLN 65 2HB GLN 65 9.676 0.363 5.691 497 1HG GLN 65 1HG GLN 65 9.025 -0.717 3.686 498 2HG GLN 65 2HG GLN 65 7.811 -1.437 4.656 499 1HE2 GLN 65 2HE2 GLN 65 8.595 1.238 2.384 500 2HE2 GLN 65 1HE2 GLN 65 6.938 1.695 2.063 501 H SER 66 H SER 66 9.786 0.728 8.299 502 HA SER 66 HA SER 66 9.291 3.405 8.272 503 1HB SER 66 1HB SER 66 7.597 2.703 10.055 504 2HB SER 66 2HB SER 66 8.966 2.149 11.029 505 HG SER 66 HG SER 66 8.346 4.332 11.505 506 H LEU 67 H LEU 67 10.949 4.288 9.448 507 HA LEU 67 HA LEU 67 13.091 2.711 10.675 508 1HB LEU 67 1HB LEU 67 14.887 4.060 9.490 509 2HB LEU 67 2HB LEU 67 14.158 2.716 8.650 510 HG LEU 67 HG LEU 67 12.997 5.444 8.101 511 1HD1 LEU 67 1HD1 LEU 67 15.408 5.836 7.921 512 2HD1 LEU 67 2HD1 LEU 67 14.801 5.629 6.269 513 3HD1 LEU 67 3HD1 LEU 67 15.637 4.289 7.078 514 1HD2 LEU 67 1HD2 LEU 67 11.929 3.564 6.950 515 2HD2 LEU 67 2HD2 LEU 67 13.508 2.908 6.513 516 3HD2 LEU 67 3HD2 LEU 67 12.917 4.386 5.747 517 H ASP 68 H ASP 68 14.123 5.946 10.061 518 HA ASP 68 HA ASP 68 13.275 6.852 12.737 519 1HB ASP 68 1HB ASP 68 14.999 7.924 10.531 520 2HB ASP 68 2HB ASP 68 14.159 9.102 11.525 521 H ASN 69 H ASN 69 12.885 8.107 9.428 522 HA ASN 69 HA ASN 69 10.289 9.291 10.106 523 1HB ASN 69 1HB ASN 69 12.315 10.731 10.579 524 2HB ASN 69 2HB ASN 69 12.745 10.612 8.874 525 1HD2 ASN 69 2HD2 ASN 69 9.853 11.399 10.935 526 2HD2 ASN 69 1HD2 ASN 69 9.426 12.809 9.980 527 H LEU 70 H LEU 70 11.557 7.177 8.067 528 HA LEU 70 HA LEU 70 10.171 8.135 5.621 529 1HB LEU 70 1HB LEU 70 12.791 6.612 5.757 530 2HB LEU 70 2HB LEU 70 12.021 7.174 4.310 531 HG LEU 70 HG LEU 70 12.753 9.313 6.295 532 1HD1 LEU 70 1HD1 LEU 70 15.080 9.360 5.587 533 2HD1 LEU 70 2HD1 LEU 70 14.878 7.812 4.737 534 3HD1 LEU 70 3HD1 LEU 70 14.704 7.919 6.519 535 1HD2 LEU 70 1HD2 LEU 70 11.731 9.896 4.205 536 2HD2 LEU 70 2HD2 LEU 70 12.996 9.033 3.279 537 3HD2 LEU 70 3HD2 LEU 70 13.401 10.471 4.225 538 H TYR 71 H TYR 71 10.131 6.022 4.091 539 HA TYR 71 HA TYR 71 9.480 3.595 5.697 540 1HB TYR 71 1HB TYR 71 7.899 4.543 3.247 541 2HB TYR 71 2HB TYR 71 7.440 3.318 4.409 542 HD1 TYR 71 HD1 TYR 71 7.406 6.868 3.572 543 HD2 TYR 71 HD2 TYR 71 6.800 4.046 6.748 544 HE1 TYR 71 HE1 TYR 71 6.235 8.592 4.887 545 HE2 TYR 71 HE2 TYR 71 5.615 5.673 8.053 546 HH TYR 71 HH TYR 71 5.083 9.090 6.775 547 H ARG 72 H ARG 72 10.718 1.825 4.756 548 HA ARG 72 HA ARG 72 11.534 2.059 1.896 549 1HB ARG 72 1HB ARG 72 13.726 1.462 2.433 550 2HB ARG 72 2HB ARG 72 13.340 2.900 3.355 551 1HG ARG 72 1HG ARG 72 14.530 1.792 4.885 552 2HG ARG 72 2HG ARG 72 12.938 1.120 5.303 553 1HD ARG 72 1HD ARG 72 13.490 -0.981 4.492 554 2HD ARG 72 2HD ARG 72 14.661 -0.356 3.311 555 HE ARG 72 HE ARG 72 15.679 0.255 5.851 556 1HH1 ARG 72 2HH1 ARG 72 14.778 -2.794 4.231 557 2HH1 ARG 72 1HH1 ARG 72 16.113 -3.686 4.847 558 1HH2 ARG 72 2HH2 ARG 72 17.378 -0.954 6.761 559 2HH2 ARG 72 1HH2 ARG 72 17.490 -2.659 6.436 560 H LEU 73 H LEU 73 11.421 0.019 0.785 561 HA LEU 73 HA LEU 73 11.171 -2.336 2.568 562 1HB LEU 73 1HB LEU 73 8.953 -1.418 1.602 563 2HB LEU 73 2HB LEU 73 9.454 -2.130 0.078 564 HG LEU 73 HG LEU 73 9.426 -4.308 0.829 565 1HD1 LEU 73 1HD1 LEU 73 9.181 -3.280 3.684 566 2HD1 LEU 73 2HD1 LEU 73 10.434 -4.354 3.018 567 3HD1 LEU 73 3HD1 LEU 73 8.789 -4.949 3.206 568 1HD2 LEU 73 1HD2 LEU 73 7.107 -4.506 1.488 569 2HD2 LEU 73 2HD2 LEU 73 7.306 -3.070 0.454 570 3HD2 LEU 73 3HD2 LEU 73 7.109 -2.880 2.203 571 H GLU 74 H GLU 74 11.707 -1.350 -0.856 572 HA GLU 74 HA GLU 74 13.377 -3.786 -1.166 573 1HB GLU 74 1HB GLU 74 11.654 -3.446 -2.849 574 2HB GLU 74 2HB GLU 74 12.274 -1.864 -3.250 575 1HG GLU 74 1HG GLU 74 12.905 -3.739 -4.835 576 2HG GLU 74 2HG GLU 74 14.231 -2.755 -4.242 577 H GLY 75 H GLY 75 13.434 -0.404 -2.309 578 1HA GLY 75 1HA GLY 75 16.350 -0.193 -2.047 579 2HA GLY 75 2HA GLY 75 15.209 0.855 -2.905 580 H GLU 76 H GLU 76 15.956 2.749 -1.958 581 HA GLU 76 HA GLU 76 16.424 3.237 0.802 582 1HB GLU 76 1HB GLU 76 16.536 5.570 0.120 583 2HB GLU 76 2HB GLU 76 17.300 4.562 -1.083 584 1HG GLU 76 1HG GLU 76 14.711 4.634 -2.078 585 2HG GLU 76 2HG GLU 76 14.781 6.161 -1.236 586 H GLY 77 H GLY 77 15.308 5.038 1.962 587 1HA GLY 77 1HA GLY 77 12.461 4.565 2.172 588 2HA GLY 77 2HA GLY 77 13.426 5.678 3.155 589 H PHE 78 H PHE 78 10.850 6.209 2.076 590 HA PHE 78 HA PHE 78 11.568 8.746 0.724 591 1HB PHE 78 1HB PHE 78 9.274 6.887 0.038 592 2HB PHE 78 2HB PHE 78 9.065 8.591 -0.123 593 HD1 PHE 78 HD1 PHE 78 11.070 5.735 -1.429 594 HD2 PHE 78 HD2 PHE 78 10.133 9.931 -1.846 595 HE1 PHE 78 HE1 PHE 78 12.045 5.731 -3.702 596 HE2 PHE 78 HE2 PHE 78 11.101 9.906 -4.123 597 HZ PHE 78 HZ PHE 78 12.035 7.794 -5.063 598 HA PRO 79 HA PRO 79 9.533 10.436 4.255 599 1HB PRO 79 1HB PRO 79 8.756 12.900 3.394 600 2HB PRO 79 2HB PRO 79 10.483 12.412 3.475 601 1HG PRO 79 1HG PRO 79 8.644 12.366 1.064 602 2HG PRO 79 2HG PRO 79 10.282 13.084 1.174 603 1HD PRO 79 1HD PRO 79 9.835 10.596 0.185 604 2HD PRO 79 2HD PRO 79 11.302 10.964 1.134 605 H SER 80 H SER 80 7.565 9.629 1.509 606 HA SER 80 HA SER 80 5.126 9.822 3.206 607 1HB SER 80 1HB SER 80 4.917 10.200 0.236 608 2HB SER 80 2HB SER 80 3.809 10.620 1.467 609 HG SER 80 HG SER 80 5.189 12.283 2.180 610 H ILE 81 H ILE 81 3.703 8.106 2.870 611 HA ILE 81 HA ILE 81 4.837 5.602 1.959 612 HB ILE 81 HB ILE 81 2.078 6.473 2.896 613 1HG1 ILE 81 1HG1 ILE 81 4.123 4.538 4.102 614 2HG1 ILE 81 2HG1 ILE 81 4.100 6.246 4.496 615 1HG2 ILE 81 1HG2 ILE 81 2.961 3.701 2.057 616 2HG2 ILE 81 2HG2 ILE 81 1.445 4.074 2.892 617 3HG2 ILE 81 3HG2 ILE 81 1.723 4.680 1.265 618 1HD1 ILE 81 1HD1 ILE 81 3.049 4.875 6.223 619 2HD1 ILE 81 2HD1 ILE 81 1.976 6.102 5.576 620 3HD1 ILE 81 3HD1 ILE 81 1.769 4.403 5.087 621 HA PRO 82 HA PRO 82 2.001 6.452 -1.755 622 1HB PRO 82 1HB PRO 82 1.505 9.109 -2.518 623 2HB PRO 82 2HB PRO 82 0.406 8.079 -1.574 624 1HG PRO 82 1HG PRO 82 2.302 10.140 -0.532 625 2HG PRO 82 2HG PRO 82 0.648 9.786 0.017 626 1HD PRO 82 1HD PRO 82 2.708 8.920 1.364 627 2HD PRO 82 2HD PRO 82 1.288 7.909 1.222 628 H LEU 83 H LEU 83 4.612 8.666 -1.062 629 HA LEU 83 HA LEU 83 5.770 8.782 -3.681 630 1HB LEU 83 1HB LEU 83 6.653 9.332 -0.853 631 2HB LEU 83 2HB LEU 83 7.877 9.158 -2.065 632 HG LEU 83 HG LEU 83 5.588 11.121 -2.390 633 1HD1 LEU 83 1HD1 LEU 83 8.450 11.742 -1.513 634 2HD1 LEU 83 2HD1 LEU 83 7.089 11.615 -0.388 635 3HD1 LEU 83 3HD1 LEU 83 7.076 12.862 -1.647 636 1HD2 LEU 83 1HD2 LEU 83 7.078 12.192 -3.997 637 2HD2 LEU 83 2HD2 LEU 83 6.772 10.535 -4.507 638 3HD2 LEU 83 3HD2 LEU 83 8.314 10.938 -3.760 639 H LEU 84 H LEU 84 6.202 6.519 -0.953 640 HA LEU 84 HA LEU 84 8.275 5.037 -2.274 641 1HB LEU 84 1HB LEU 84 7.496 5.209 0.240 642 2HB LEU 84 2HB LEU 84 6.360 3.922 -0.223 643 HG LEU 84 HG LEU 84 8.320 3.086 0.949 644 1HD1 LEU 84 1HD1 LEU 84 8.483 2.053 -1.876 645 2HD1 LEU 84 2HD1 LEU 84 7.109 1.682 -0.800 646 3HD1 LEU 84 3HD1 LEU 84 8.754 1.174 -0.360 647 1HD2 LEU 84 1HD2 LEU 84 10.008 4.662 0.102 648 2HD2 LEU 84 2HD2 LEU 84 9.982 3.829 -1.480 649 3HD2 LEU 84 3HD2 LEU 84 10.526 2.987 -0.022 650 H ILE 85 H ILE 85 4.714 4.703 -2.028 651 HA ILE 85 HA ILE 85 4.417 2.264 -3.383 652 HB ILE 85 HB ILE 85 2.674 4.764 -3.415 653 1HG1 ILE 85 1HG1 ILE 85 2.750 3.790 -1.214 654 2HG1 ILE 85 2HG1 ILE 85 1.206 3.414 -1.937 655 1HG2 ILE 85 1HG2 ILE 85 2.097 3.556 -5.448 656 2HG2 ILE 85 2HG2 ILE 85 1.993 2.043 -4.567 657 3HG2 ILE 85 3HG2 ILE 85 0.815 3.322 -4.249 658 1HD1 ILE 85 1HD1 ILE 85 1.756 1.370 -1.049 659 2HD1 ILE 85 2HD1 ILE 85 2.460 1.151 -2.632 660 3HD1 ILE 85 3HD1 ILE 85 3.511 1.600 -1.276 661 H ASP 86 H ASP 86 4.895 5.567 -4.787 662 HA ASP 86 HA ASP 86 4.440 4.628 -7.443 663 1HB ASP 86 1HB ASP 86 4.409 6.978 -6.826 664 2HB ASP 86 2HB ASP 86 6.153 6.971 -6.524 665 H HIS 87 H HIS 87 7.495 4.878 -5.554 666 HA HIS 87 HA HIS 87 9.003 3.998 -7.859 667 1HB HIS 87 1HB HIS 87 9.873 5.424 -5.964 668 2HB HIS 87 2HB HIS 87 9.950 3.931 -5.000 669 HD1 HIS 87 HD1 HIS 87 11.232 4.870 -8.597 670 HD2 HIS 87 HD2 HIS 87 12.369 3.159 -4.910 671 HE1 HIS 87 HE1 HIS 87 13.727 4.488 -8.723 672 H LEU 88 H LEU 88 6.975 2.204 -5.700 673 HA LEU 88 HA LEU 88 8.360 -0.324 -6.414 674 1HB LEU 88 1HB LEU 88 6.050 0.509 -4.632 675 2HB LEU 88 2HB LEU 88 6.235 -1.161 -5.203 676 HG LEU 88 HG LEU 88 7.467 0.323 -3.089 677 1HD1 LEU 88 1HD1 LEU 88 7.736 -2.583 -4.022 678 2HD1 LEU 88 2HD1 LEU 88 6.408 -1.975 -3.027 679 3HD1 LEU 88 3HD1 LEU 88 8.062 -2.049 -2.354 680 1HD2 LEU 88 1HD2 LEU 88 9.597 -1.080 -4.749 681 2HD2 LEU 88 2HD2 LEU 88 9.781 -0.549 -3.080 682 3HD2 LEU 88 3HD2 LEU 88 9.528 0.653 -4.346 683 H LEU 89 H LEU 89 5.483 1.658 -7.133 684 HA LEU 89 HA LEU 89 4.241 -0.396 -8.691 685 1HB LEU 89 1HB LEU 89 3.354 1.900 -7.527 686 2HB LEU 89 2HB LEU 89 3.453 2.467 -9.183 687 HG LEU 89 HG LEU 89 2.178 -0.200 -8.612 688 1HD1 LEU 89 1HD1 LEU 89 0.896 2.450 -7.952 689 2HD1 LEU 89 2HD1 LEU 89 1.240 1.078 -6.861 690 3HD1 LEU 89 3HD1 LEU 89 0.008 0.921 -8.129 691 1HD2 LEU 89 1HD2 LEU 89 1.297 1.949 -10.518 692 2HD2 LEU 89 2HD2 LEU 89 0.606 0.316 -10.298 693 3HD2 LEU 89 3HD2 LEU 89 2.259 0.500 -10.934 694 H SER 90 H SER 90 6.135 2.503 -9.479 695 HA SER 90 HA SER 90 5.724 2.074 -12.277 696 1HB SER 90 1HB SER 90 6.153 4.295 -10.875 697 2HB SER 90 2HB SER 90 7.859 3.943 -11.193 698 HG SER 90 HG SER 90 5.714 4.425 -12.995 699 H THR 91 H THR 91 7.714 0.538 -10.120 700 HA THR 91 HA THR 91 9.857 -0.128 -12.075 701 HB THR 91 HB THR 91 11.229 -0.651 -10.143 702 HG1 THR 91 HG1 THR 91 9.735 0.388 -8.194 703 1HG2 THR 91 1HG2 THR 91 11.476 1.572 -9.093 704 2HG2 THR 91 2HG2 THR 91 9.871 2.053 -9.632 705 3HG2 THR 91 3HG2 THR 91 11.147 1.768 -10.831 706 H GLN 92 H GLN 92 7.296 -1.298 -9.985 707 HA GLN 92 HA GLN 92 6.136 -3.214 -9.886 708 1HB GLN 92 1HB GLN 92 7.721 -4.324 -12.233 709 2HB GLN 92 2HB GLN 92 6.227 -4.940 -11.568 710 1HG GLN 92 1HG GLN 92 6.326 -2.156 -12.795 711 2HG GLN 92 2HG GLN 92 6.106 -3.617 -13.755 712 1HE2 GLN 92 2HE2 GLN 92 4.632 -1.690 -11.142 713 2HE2 GLN 92 1HE2 GLN 92 3.298 -2.771 -10.816 714 H GLN 93 H GLN 93 8.264 -2.583 -8.308 715 HA GLN 93 HA GLN 93 10.022 -4.890 -8.045 716 1HB GLN 93 1HB GLN 93 9.850 -2.170 -6.783 717 2HB GLN 93 2HB GLN 93 10.620 -3.426 -5.812 718 1HG GLN 93 1HG GLN 93 12.116 -4.021 -7.731 719 2HG GLN 93 2HG GLN 93 11.399 -2.673 -8.620 720 1HE2 GLN 93 2HE2 GLN 93 11.249 -0.547 -7.050 721 2HE2 GLN 93 1HE2 GLN 93 12.896 -0.180 -6.550 722 HA PRO 94 HA PRO 94 7.832 -7.018 -4.984 723 1HB PRO 94 1HB PRO 94 9.761 -8.597 -3.848 724 2HB PRO 94 2HB PRO 94 9.349 -8.716 -5.590 725 1HG PRO 94 1HG PRO 94 11.565 -7.072 -4.326 726 2HG PRO 94 2HG PRO 94 11.698 -8.267 -5.659 727 1HD PRO 94 1HD PRO 94 11.439 -5.582 -6.207 728 2HD PRO 94 2HD PRO 94 10.621 -6.828 -7.178 729 H LEU 95 H LEU 95 7.356 -7.450 -2.846 730 HA LEU 95 HA LEU 95 8.149 -5.411 -0.882 731 1HB LEU 95 1HB LEU 95 6.210 -7.738 -0.639 732 2HB LEU 95 2HB LEU 95 6.381 -6.412 0.486 733 HG LEU 95 HG LEU 95 5.222 -6.306 -2.256 734 1HD1 LEU 95 1HD1 LEU 95 4.151 -5.682 0.509 735 2HD1 LEU 95 2HD1 LEU 95 3.877 -7.187 -0.396 736 3HD1 LEU 95 3HD1 LEU 95 3.258 -5.663 -1.038 737 1HD2 LEU 95 1HD2 LEU 95 5.634 -3.921 -0.459 738 2HD2 LEU 95 2HD2 LEU 95 4.813 -3.952 -2.016 739 3HD2 LEU 95 3HD2 LEU 95 6.550 -4.281 -1.984 740 H THR 96 H THR 96 8.780 -8.937 -1.366 741 HA THR 96 HA THR 96 10.395 -8.973 1.067 742 HB THR 96 HB THR 96 8.326 -9.485 2.098 743 HG1 THR 96 HG1 THR 96 8.613 -11.511 2.753 744 1HG2 THR 96 1HG2 THR 96 7.625 -11.147 -0.340 745 2HG2 THR 96 2HG2 THR 96 6.746 -9.774 0.360 746 3HG2 THR 96 3HG2 THR 96 6.781 -11.312 1.218 747 H LYS 97 H LYS 97 11.886 -10.627 1.062 748 HA LYS 97 HA LYS 97 12.550 -11.958 -1.412 749 1HB LYS 97 1HB LYS 97 13.447 -12.520 1.454 750 2HB LYS 97 2HB LYS 97 14.187 -13.208 0.017 751 1HG LYS 97 1HG LYS 97 14.211 -10.299 0.881 752 2HG LYS 97 2HG LYS 97 15.554 -11.426 0.836 753 1HD LYS 97 1HD LYS 97 14.087 -10.174 -1.492 754 2HD LYS 97 2HD LYS 97 15.757 -9.915 -1.017 755 1HE LYS 97 1HE LYS 97 16.396 -12.158 -1.709 756 2HE LYS 97 2HE LYS 97 14.707 -12.574 -2.039 757 1HZ LYS 97 1HZ LYS 97 14.744 -10.786 -3.733 758 2HZ LYS 97 2HZ LYS 97 15.741 -12.049 -4.086 759 3HZ LYS 97 3HZ LYS 97 16.375 -10.647 -3.534 760 H LYS 98 H LYS 98 10.189 -12.674 0.958 761 HA LYS 98 HA LYS 98 10.142 -15.559 0.320 762 1HB LYS 98 1HB LYS 98 8.230 -13.745 1.862 763 2HB LYS 98 2HB LYS 98 7.996 -15.476 1.629 764 1HG LYS 98 1HG LYS 98 10.288 -14.138 3.113 765 2HG LYS 98 2HG LYS 98 8.946 -15.018 3.814 766 1HD LYS 98 1HD LYS 98 10.404 -16.742 3.879 767 2HD LYS 98 2HD LYS 98 9.939 -16.974 2.188 768 1HE LYS 98 1HE LYS 98 11.880 -15.489 1.519 769 2HE LYS 98 2HE LYS 98 12.304 -15.328 3.226 770 1HZ LYS 98 1HZ LYS 98 12.645 -17.765 3.241 771 2HZ LYS 98 2HZ LYS 98 13.648 -16.995 2.178 772 3HZ LYS 98 3HZ LYS 98 12.368 -17.820 1.628 773 H SER 99 H SER 99 7.404 -13.400 0.190 774 HA SER 99 HA SER 99 6.495 -14.964 -2.005 775 1HB SER 99 1HB SER 99 5.118 -12.732 -0.514 776 2HB SER 99 2HB SER 99 4.345 -13.898 -1.617 777 HG SER 99 HG SER 99 5.229 -15.574 -0.269 778 H GLY 100 H GLY 100 8.403 -12.239 -2.263 779 1HA GLY 100 1HA GLY 100 8.930 -10.877 -3.980 780 2HA GLY 100 2HA GLY 100 8.281 -12.153 -4.983 781 H VAL 101 H VAL 101 5.911 -10.704 -2.939 782 HA VAL 101 HA VAL 101 4.085 -10.080 -4.741 783 HB VAL 101 HB VAL 101 4.679 -8.517 -2.226 784 1HG1 VAL 101 1HG1 VAL 101 2.589 -7.867 -2.116 785 2HG1 VAL 101 2HG1 VAL 101 2.620 -8.044 -3.878 786 3HG1 VAL 101 3HG1 VAL 101 1.894 -9.314 -2.894 787 1HG2 VAL 101 1HG2 VAL 101 3.193 -10.294 -1.113 788 2HG2 VAL 101 2HG2 VAL 101 3.685 -11.332 -2.458 789 3HG2 VAL 101 3HG2 VAL 101 4.910 -10.604 -1.363 790 H VAL 102 H VAL 102 3.879 -8.578 -6.480 791 HA VAL 102 HA VAL 102 5.441 -6.087 -6.174 792 HB VAL 102 HB VAL 102 6.037 -5.985 -8.142 793 1HG1 VAL 102 1HG1 VAL 102 5.562 -8.954 -8.234 794 2HG1 VAL 102 2HG1 VAL 102 6.723 -8.036 -9.194 795 3HG1 VAL 102 3HG1 VAL 102 6.916 -8.100 -7.451 796 1HG2 VAL 102 1HG2 VAL 102 4.281 -5.513 -9.485 797 2HG2 VAL 102 2HG2 VAL 102 4.834 -7.020 -10.206 798 3HG2 VAL 102 3HG2 VAL 102 3.421 -7.011 -9.126 799 H LEU 103 H LEU 103 4.372 -4.023 -6.956 800 HA LEU 103 HA LEU 103 1.530 -3.949 -6.248 801 1HB LEU 103 1HB LEU 103 3.419 -1.813 -7.282 802 2HB LEU 103 2HB LEU 103 1.785 -1.549 -6.691 803 HG LEU 103 HG LEU 103 4.204 -2.398 -5.054 804 1HD1 LEU 103 1HD1 LEU 103 3.846 -0.251 -3.955 805 2HD1 LEU 103 2HD1 LEU 103 2.386 0.015 -4.934 806 3HD1 LEU 103 3HD1 LEU 103 3.977 0.005 -5.711 807 1HD2 LEU 103 1HD2 LEU 103 2.708 -2.324 -3.091 808 2HD2 LEU 103 2HD2 LEU 103 2.132 -3.530 -4.244 809 3HD2 LEU 103 3HD2 LEU 103 1.324 -1.983 -4.154 810 H HIS 104 H HIS 104 -0.062 -3.830 -7.748 811 HA HIS 104 HA HIS 104 0.653 -3.487 -10.635 812 1HB HIS 104 1HB HIS 104 -0.476 -5.863 -9.249 813 2HB HIS 104 2HB HIS 104 -1.161 -5.475 -10.820 814 HD1 HIS 104 HD1 HIS 104 2.045 -4.763 -11.944 815 HD2 HIS 104 HD2 HIS 104 0.299 -8.202 -10.235 816 HE1 HIS 104 HE1 HIS 104 3.415 -6.713 -12.714 817 H ARG 105 H ARG 105 -1.978 -3.503 -8.089 818 HA ARG 105 HA ARG 105 -3.390 -1.561 -9.783 819 1HB ARG 105 1HB ARG 105 -4.153 -4.110 -10.121 820 2HB ARG 105 2HB ARG 105 -4.875 -3.898 -8.545 821 1HG ARG 105 1HG ARG 105 -6.630 -3.318 -9.991 822 2HG ARG 105 2HG ARG 105 -5.977 -1.723 -9.598 823 1HD ARG 105 1HD ARG 105 -4.407 -2.006 -11.607 824 2HD ARG 105 2HD ARG 105 -5.367 -3.434 -12.050 825 HE ARG 105 HE ARG 105 -7.215 -1.430 -11.837 826 1HH1 ARG 105 2HH1 ARG 105 -4.305 -2.187 -13.751 827 2HH1 ARG 105 1HH1 ARG 105 -4.755 -1.287 -15.148 828 1HH2 ARG 105 2HH2 ARG 105 -7.782 -0.045 -13.694 829 2HH2 ARG 105 1HH2 ARG 105 -6.812 -0.132 -15.132 830 H ALA 106 H ALA 106 -4.647 -0.100 -8.572 831 HA ALA 106 HA ALA 106 -4.337 -0.356 -5.594 832 1HB ALA 106 1HB ALA 106 -4.803 2.130 -7.280 833 2HB ALA 106 2HB ALA 106 -4.468 2.031 -5.552 834 3HB ALA 106 3HB ALA 106 -3.205 1.584 -6.734 835 H VAL 107 H VAL 107 -6.253 -0.507 -4.378 836 HA VAL 107 HA VAL 107 -8.795 -0.677 -5.793 837 HB VAL 107 HB VAL 107 -8.016 -0.887 -2.862 838 1HG1 VAL 107 1HG1 VAL 107 -10.426 -0.270 -3.280 839 2HG1 VAL 107 2HG1 VAL 107 -10.607 -1.787 -4.194 840 3HG1 VAL 107 3HG1 VAL 107 -10.163 -1.782 -2.460 841 1HG2 VAL 107 1HG2 VAL 107 -7.004 -2.710 -4.050 842 2HG2 VAL 107 2HG2 VAL 107 -8.508 -3.350 -3.371 843 3HG2 VAL 107 3HG2 VAL 107 -8.436 -2.934 -5.084 844 HA PRO 108 HA PRO 108 -9.066 3.717 -4.977 845 1HB PRO 108 1HB PRO 108 -10.689 4.481 -6.932 846 2HB PRO 108 2HB PRO 108 -9.045 3.866 -7.269 847 1HG PRO 108 1HG PRO 108 -11.662 2.359 -7.590 848 2HG PRO 108 2HG PRO 108 -10.194 2.299 -8.608 849 1HD PRO 108 1HD PRO 108 -10.913 0.526 -6.539 850 2HD PRO 108 2HD PRO 108 -9.322 0.673 -7.323 851 H SER 109 H SER 109 -10.012 4.044 -3.124 852 HA SER 109 HA SER 109 -12.843 3.395 -2.577 853 1HB SER 109 1HB SER 109 -11.081 2.697 -1.055 854 2HB SER 109 2HB SER 109 -10.640 4.388 -0.749 855 HG SER 109 HG SER 109 -13.223 3.335 -0.228 856 H GLY 110 H GLY 110 -11.099 6.199 -3.499 857 1HA GLY 110 1HA GLY 110 -12.453 8.188 -4.043 858 2HA GLY 110 2HA GLY 110 -13.231 8.008 -2.463 859 HA PRO 111 HA PRO 111 -9.349 10.751 -2.234 860 1HB PRO 111 1HB PRO 111 -10.540 13.116 -1.565 861 2HB PRO 111 2HB PRO 111 -10.453 12.546 -3.253 862 1HG PRO 111 1HG PRO 111 -12.797 12.246 -1.340 863 2HG PRO 111 2HG PRO 111 -12.816 12.895 -2.995 864 1HD PRO 111 1HD PRO 111 -13.440 10.309 -2.486 865 2HD PRO 111 2HD PRO 111 -12.485 10.736 -3.937 866 H SER 112 H SER 112 -12.193 10.416 -0.137 867 HA SER 112 HA SER 112 -10.632 11.354 2.202 868 1HB SER 112 1HB SER 112 -13.558 11.771 1.510 869 2HB SER 112 2HB SER 112 -12.653 12.478 2.861 870 HG SER 112 HG SER 112 -11.193 13.316 1.063 871 H SER 113 H SER 113 -10.056 9.538 3.081 872 HA SER 113 HA SER 113 -11.057 7.045 3.311 873 1HB SER 113 1HB SER 113 -8.861 7.921 3.996 874 2HB SER 113 2HB SER 113 -9.598 8.770 5.366 875 HG SER 113 HG SER 113 -9.899 6.867 6.385 876 H GLY 114 H GLY 114 -12.872 6.164 4.156 877 1HA GLY 114 1HA GLY 114 -14.483 5.689 5.784 878 2HA GLY 114 2HA GLY 114 -14.044 7.163 6.676 Start of MODEL 9 1 1H GLY 1 H GLY 1 -15.354 14.221 -20.355 2 1HA GLY 1 1HA GLY 1 -13.146 14.675 -19.416 3 2HA GLY 1 2HA GLY 1 -13.729 16.298 -19.021 4 H SER 2 H SER 2 -13.462 13.065 -17.887 5 HA SER 2 HA SER 2 -15.001 13.852 -15.450 6 1HB SER 2 1HB SER 2 -14.937 10.988 -16.423 7 2HB SER 2 2HB SER 2 -15.987 11.755 -15.223 8 HG SER 2 HG SER 2 -17.206 11.558 -16.993 9 H SER 3 H SER 3 -13.013 10.943 -16.224 10 HA SER 3 HA SER 3 -11.551 11.116 -13.807 11 1HB SER 3 1HB SER 3 -10.736 9.593 -16.306 12 2HB SER 3 2HB SER 3 -10.485 9.142 -14.614 13 HG SER 3 HG SER 3 -12.626 8.661 -14.426 14 H GLY 4 H GLY 4 -9.772 12.365 -13.347 15 1HA GLY 4 1HA GLY 4 -7.792 13.096 -15.313 16 2HA GLY 4 2HA GLY 4 -8.889 14.424 -14.894 17 H SER 5 H SER 5 -6.369 14.869 -14.387 18 HA SER 5 HA SER 5 -4.951 15.690 -12.919 19 1HB SER 5 1HB SER 5 -7.049 16.549 -11.851 20 2HB SER 5 2HB SER 5 -6.966 15.179 -10.720 21 HG SER 5 HG SER 5 -4.881 15.872 -10.171 22 H SER 6 H SER 6 -5.414 12.471 -13.052 23 HA SER 6 HA SER 6 -4.616 11.295 -10.767 24 1HB SER 6 1HB SER 6 -3.569 10.319 -13.428 25 2HB SER 6 2HB SER 6 -4.271 9.394 -12.098 26 HG SER 6 HG SER 6 -5.750 9.416 -13.600 27 H GLY 7 H GLY 7 -2.606 10.164 -10.142 28 1HA GLY 7 1HA GLY 7 -0.382 9.543 -10.700 29 2HA GLY 7 2HA GLY 7 -0.029 11.176 -11.273 30 H GLU 8 H GLU 8 -1.339 9.582 -8.401 31 HA GLU 8 HA GLU 8 -1.141 11.810 -6.783 32 1HB GLU 8 1HB GLU 8 -1.861 8.880 -6.286 33 2HB GLU 8 2HB GLU 8 -2.062 10.164 -5.089 34 1HG GLU 8 1HG GLU 8 -4.128 10.133 -5.993 35 2HG GLU 8 2HG GLU 8 -3.338 11.479 -6.819 36 H VAL 9 H VAL 9 1.707 10.742 -7.455 37 HA VAL 9 HA VAL 9 2.758 9.563 -5.176 38 HB VAL 9 HB VAL 9 4.278 11.407 -7.041 39 1HG1 VAL 9 1HG1 VAL 9 6.018 9.643 -6.759 40 2HG1 VAL 9 2HG1 VAL 9 5.464 10.387 -5.246 41 3HG1 VAL 9 3HG1 VAL 9 4.899 8.771 -5.667 42 1HG2 VAL 9 1HG2 VAL 9 3.106 8.670 -7.718 43 2HG2 VAL 9 2HG2 VAL 9 2.918 10.166 -8.637 44 3HG2 VAL 9 3HG2 VAL 9 4.488 9.367 -8.607 45 H GLN 10 H GLN 10 2.769 13.020 -6.203 46 HA GLN 10 HA GLN 10 4.222 13.753 -3.809 47 1HB GLN 10 1HB GLN 10 3.067 15.573 -5.950 48 2HB GLN 10 2HB GLN 10 4.312 15.986 -4.772 49 1HG GLN 10 1HG GLN 10 4.549 14.026 -7.083 50 2HG GLN 10 2HG GLN 10 5.329 15.604 -6.948 51 1HE2 GLN 10 2HE2 GLN 10 6.261 12.591 -7.059 52 2HE2 GLN 10 1HE2 GLN 10 7.436 12.494 -5.743 53 H LYS 11 H LYS 11 1.022 13.232 -4.489 54 HA LYS 11 HA LYS 11 -0.347 15.355 -3.065 55 1HB LYS 11 1HB LYS 11 -1.017 12.561 -4.050 56 2HB LYS 11 2HB LYS 11 -2.156 13.364 -3.025 57 1HG LYS 11 1HG LYS 11 -1.062 14.829 -5.456 58 2HG LYS 11 2HG LYS 11 -2.328 13.599 -5.644 59 1HD LYS 11 1HD LYS 11 -3.715 14.732 -4.021 60 2HD LYS 11 2HD LYS 11 -2.509 16.022 -3.807 61 1HE LYS 11 1HE LYS 11 -2.787 16.603 -6.217 62 2HE LYS 11 2HE LYS 11 -4.038 15.345 -6.355 63 1HZ LYS 11 1HZ LYS 11 -5.029 17.506 -5.974 64 2HZ LYS 11 2HZ LYS 11 -4.182 17.716 -4.585 65 3HZ LYS 11 3HZ LYS 11 -5.319 16.544 -4.667 66 HA PRO 12 HA PRO 12 0.236 13.884 1.067 67 1HB PRO 12 1HB PRO 12 -2.209 14.221 2.282 68 2HB PRO 12 2HB PRO 12 -1.069 15.541 1.964 69 1HG PRO 12 1HG PRO 12 -3.547 14.783 0.473 70 2HG PRO 12 2HG PRO 12 -2.869 16.404 0.742 71 1HD PRO 12 1HD PRO 12 -2.631 14.881 -1.599 72 2HD PRO 12 2HD PRO 12 -1.541 16.222 -1.200 73 H LEU 13 H LEU 13 -0.472 12.142 2.549 74 HA LEU 13 HA LEU 13 -1.375 9.755 1.215 75 1HB LEU 13 1HB LEU 13 0.227 9.868 3.018 76 2HB LEU 13 2HB LEU 13 -1.002 10.421 4.159 77 HG LEU 13 HG LEU 13 -1.350 7.743 2.707 78 1HD1 LEU 13 1HD1 LEU 13 0.950 8.025 3.900 79 2HD1 LEU 13 2HD1 LEU 13 -0.085 6.675 4.413 80 3HD1 LEU 13 3HD1 LEU 13 0.052 8.143 5.402 81 1HD2 LEU 13 1HD2 LEU 13 -3.284 8.544 4.080 82 2HD2 LEU 13 2HD2 LEU 13 -2.207 8.753 5.479 83 3HD2 LEU 13 3HD2 LEU 13 -2.511 7.146 4.804 84 H HIS 14 H HIS 14 -2.941 12.297 3.181 85 HA HIS 14 HA HIS 14 -5.237 10.709 3.695 86 1HB HIS 14 1HB HIS 14 -6.259 12.695 4.610 87 2HB HIS 14 2HB HIS 14 -4.582 12.599 5.115 88 HD1 HIS 14 HD1 HIS 14 -6.626 14.504 2.359 89 HD2 HIS 14 HD2 HIS 14 -3.240 14.796 4.858 90 HE1 HIS 14 HE1 HIS 14 -5.608 16.798 1.936 91 H GLU 15 H GLU 15 -4.415 11.889 0.572 92 HA GLU 15 HA GLU 15 -7.224 12.260 -0.212 93 1HB GLU 15 1HB GLU 15 -5.933 14.269 -0.280 94 2HB GLU 15 2HB GLU 15 -4.531 13.435 -0.991 95 1HG GLU 15 1HG GLU 15 -5.513 13.159 -3.021 96 2HG GLU 15 2HG GLU 15 -7.151 13.579 -2.430 97 H GLN 16 H GLN 16 -4.876 9.936 0.008 98 HA GLN 16 HA GLN 16 -4.645 9.051 -2.701 99 1HB GLN 16 1HB GLN 16 -4.180 7.621 -0.055 100 2HB GLN 16 2HB GLN 16 -3.698 6.975 -1.627 101 1HG GLN 16 1HG GLN 16 -2.750 9.605 -0.452 102 2HG GLN 16 2HG GLN 16 -1.845 8.107 -0.395 103 1HE2 GLN 16 2HE2 GLN 16 -1.263 10.807 -1.658 104 2HE2 GLN 16 1HE2 GLN 16 -0.701 10.308 -3.260 105 H LEU 17 H LEU 17 -5.235 6.898 -3.343 106 HA LEU 17 HA LEU 17 -8.163 6.676 -3.223 107 1HB LEU 17 1HB LEU 17 -7.724 5.200 -5.255 108 2HB LEU 17 2HB LEU 17 -7.572 6.908 -5.448 109 HG LEU 17 HG LEU 17 -5.102 5.207 -4.933 110 1HD1 LEU 17 1HD1 LEU 17 -6.454 5.580 -7.636 111 2HD1 LEU 17 2HD1 LEU 17 -6.322 4.058 -6.734 112 3HD1 LEU 17 3HD1 LEU 17 -4.863 4.842 -7.354 113 1HD2 LEU 17 1HD2 LEU 17 -4.774 7.684 -4.998 114 2HD2 LEU 17 2HD2 LEU 17 -5.537 7.731 -6.595 115 3HD2 LEU 17 3HD2 LEU 17 -3.993 6.893 -6.361 116 H TRP 18 H TRP 18 -5.262 4.596 -3.126 117 HA TRP 18 HA TRP 18 -6.611 2.228 -2.224 118 1HB TRP 18 1HB TRP 18 -4.142 1.616 -1.770 119 2HB TRP 18 2HB TRP 18 -4.646 1.885 -3.380 120 HD1 TRP 18 HD1 TRP 18 -3.179 3.464 -4.785 121 HE1 TRP 18 HE1 TRP 18 -1.327 5.134 -4.358 122 HE3 TRP 18 HE3 TRP 18 -3.365 3.598 0.319 123 HZ2 TRP 18 HZ2 TRP 18 0.029 6.252 -2.118 124 HZ3 TRP 18 HZ3 TRP 18 -1.757 4.979 1.607 125 HH2 TRP 18 HH2 TRP 18 -0.017 6.292 0.411 126 H TYR 19 H TYR 19 -5.995 5.152 -0.574 127 HA TYR 19 HA TYR 19 -5.275 3.842 1.959 128 1HB TYR 19 1HB TYR 19 -4.305 5.961 1.535 129 2HB TYR 19 2HB TYR 19 -5.896 6.721 1.406 130 HD1 TYR 19 HD1 TYR 19 -6.038 8.187 3.225 131 HD2 TYR 19 HD2 TYR 19 -4.648 4.156 3.931 132 HE1 TYR 19 HE1 TYR 19 -6.177 8.546 5.659 133 HE2 TYR 19 HE2 TYR 19 -4.804 4.504 6.335 134 HH TYR 19 HH TYR 19 -6.386 7.190 7.780 135 H HIS 20 H HIS 20 -7.183 2.379 2.145 136 HA HIS 20 HA HIS 20 -9.841 3.532 2.164 137 1HB HIS 20 1HB HIS 20 -8.835 0.780 2.921 138 2HB HIS 20 2HB HIS 20 -10.489 1.300 3.237 139 HD1 HIS 20 HD1 HIS 20 -12.125 0.513 1.446 140 HD2 HIS 20 HD2 HIS 20 -8.208 1.262 0.038 141 HE1 HIS 20 HE1 HIS 20 -12.097 -0.096 -1.017 142 H GLY 21 H GLY 21 -7.490 2.950 4.881 143 1HA GLY 21 1HA GLY 21 -7.573 4.371 6.676 144 2HA GLY 21 2HA GLY 21 -9.326 4.282 6.723 145 H ALA 22 H ALA 22 -9.490 3.377 8.605 146 HA ALA 22 HA ALA 22 -7.767 1.350 9.783 147 1HB ALA 22 1HB ALA 22 -9.122 1.652 11.790 148 2HB ALA 22 2HB ALA 22 -8.704 3.224 11.064 149 3HB ALA 22 3HB ALA 22 -10.332 2.540 10.829 150 H ILE 23 H ILE 23 -8.946 0.291 7.632 151 HA ILE 23 HA ILE 23 -11.195 -1.369 8.223 152 HB ILE 23 HB ILE 23 -11.385 -1.452 6.077 153 1HG1 ILE 23 1HG1 ILE 23 -8.805 -3.043 5.833 154 2HG1 ILE 23 2HG1 ILE 23 -10.435 -3.657 6.135 155 1HG2 ILE 23 1HG2 ILE 23 -8.571 -0.420 5.604 156 2HG2 ILE 23 2HG2 ILE 23 -9.931 -0.433 4.481 157 3HG2 ILE 23 3HG2 ILE 23 -10.026 0.587 5.897 158 1HD1 ILE 23 1HD1 ILE 23 -9.976 -4.066 3.879 159 2HD1 ILE 23 2HD1 ILE 23 -11.193 -2.775 3.989 160 3HD1 ILE 23 3HD1 ILE 23 -9.503 -2.389 3.578 161 HA PRO 24 HA PRO 24 -9.279 -5.014 10.093 162 1HB PRO 24 1HB PRO 24 -11.201 -6.886 9.652 163 2HB PRO 24 2HB PRO 24 -11.424 -5.518 10.784 164 1HG PRO 24 1HG PRO 24 -12.315 -5.740 7.908 165 2HG PRO 24 2HG PRO 24 -13.294 -5.231 9.309 166 1HD PRO 24 1HD PRO 24 -12.147 -3.431 7.651 167 2HD PRO 24 2HD PRO 24 -12.282 -3.126 9.410 168 H ARG 25 H ARG 25 -8.309 -7.126 9.436 169 HA ARG 25 HA ARG 25 -7.484 -7.216 6.698 170 1HB ARG 25 1HB ARG 25 -6.263 -9.116 7.224 171 2HB ARG 25 2HB ARG 25 -6.411 -8.358 8.814 172 1HG ARG 25 1HG ARG 25 -8.372 -9.867 9.265 173 2HG ARG 25 2HG ARG 25 -8.069 -10.660 7.716 174 1HD ARG 25 1HD ARG 25 -5.801 -11.274 8.449 175 2HD ARG 25 2HD ARG 25 -6.140 -10.621 10.061 176 HE ARG 25 HE ARG 25 -6.915 -13.161 8.973 177 1HH1 ARG 25 2HH1 ARG 25 -8.262 -10.621 11.130 178 2HH1 ARG 25 1HH1 ARG 25 -9.413 -11.727 11.831 179 1HH2 ARG 25 2HH2 ARG 25 -8.290 -14.592 10.174 180 2HH2 ARG 25 1HH2 ARG 25 -9.143 -13.959 11.550 181 H ALA 26 H ALA 26 -10.297 -8.616 8.245 182 HA ALA 26 HA ALA 26 -10.841 -10.616 6.324 183 1HB ALA 26 1HB ALA 26 -11.830 -10.606 8.551 184 2HB ALA 26 2HB ALA 26 -12.701 -9.084 8.198 185 3HB ALA 26 3HB ALA 26 -13.123 -10.568 7.327 186 H GLU 27 H GLU 27 -11.602 -7.131 6.320 187 HA GLU 27 HA GLU 27 -13.582 -7.294 4.231 188 1HB GLU 27 1HB GLU 27 -12.022 -5.154 5.687 189 2HB GLU 27 2HB GLU 27 -12.894 -4.697 4.224 190 1HG GLU 27 1HG GLU 27 -14.169 -6.192 6.565 191 2HG GLU 27 2HG GLU 27 -14.193 -4.445 6.408 192 H VAL 28 H VAL 28 -10.121 -6.766 4.278 193 HA VAL 28 HA VAL 28 -9.437 -5.750 1.891 194 HB VAL 28 HB VAL 28 -8.185 -8.194 3.199 195 1HG1 VAL 28 1HG1 VAL 28 -7.391 -7.955 0.904 196 2HG1 VAL 28 2HG1 VAL 28 -6.932 -6.267 1.233 197 3HG1 VAL 28 3HG1 VAL 28 -6.129 -7.636 2.069 198 1HG2 VAL 28 1HG2 VAL 28 -6.635 -6.592 4.231 199 2HG2 VAL 28 2HG2 VAL 28 -7.476 -5.227 3.461 200 3HG2 VAL 28 3HG2 VAL 28 -8.288 -6.193 4.705 201 H ALA 29 H ALA 29 -10.001 -9.307 2.187 202 HA ALA 29 HA ALA 29 -9.529 -9.761 -0.552 203 1HB ALA 29 1HB ALA 29 -11.439 -11.534 0.888 204 2HB ALA 29 2HB ALA 29 -10.073 -11.938 -0.192 205 3HB ALA 29 3HB ALA 29 -9.779 -11.395 1.486 206 H GLU 30 H GLU 30 -12.386 -8.355 0.771 207 HA GLU 30 HA GLU 30 -14.231 -9.175 -1.362 208 1HB GLU 30 1HB GLU 30 -15.205 -8.702 0.781 209 2HB GLU 30 2HB GLU 30 -14.305 -7.213 0.956 210 1HG GLU 30 1HG GLU 30 -16.580 -6.690 0.496 211 2HG GLU 30 2HG GLU 30 -15.505 -6.084 -0.747 212 H LEU 31 H LEU 31 -12.013 -6.560 -0.519 213 HA LEU 31 HA LEU 31 -12.951 -4.744 -2.560 214 1HB LEU 31 1HB LEU 31 -10.446 -4.663 -0.814 215 2HB LEU 31 2HB LEU 31 -11.170 -3.308 -1.646 216 HG LEU 31 HG LEU 31 -12.643 -4.857 0.577 217 1HD1 LEU 31 1HD1 LEU 31 -11.033 -2.295 0.760 218 2HD1 LEU 31 2HD1 LEU 31 -10.667 -3.870 1.518 219 3HD1 LEU 31 3HD1 LEU 31 -12.107 -2.961 2.006 220 1HD2 LEU 31 1HD2 LEU 31 -14.103 -3.497 -0.967 221 2HD2 LEU 31 2HD2 LEU 31 -13.088 -2.070 -0.630 222 3HD2 LEU 31 3HD2 LEU 31 -14.017 -2.831 0.665 223 H LEU 32 H LEU 32 -10.167 -6.863 -2.017 224 HA LEU 32 HA LEU 32 -8.883 -6.068 -4.549 225 1HB LEU 32 1HB LEU 32 -7.952 -8.437 -2.927 226 2HB LEU 32 2HB LEU 32 -7.034 -7.305 -3.907 227 HG LEU 32 HG LEU 32 -8.085 -6.882 -1.101 228 1HD1 LEU 32 1HD1 LEU 32 -6.158 -8.292 -1.238 229 2HD1 LEU 32 2HD1 LEU 32 -5.678 -6.714 -0.565 230 3HD1 LEU 32 3HD1 LEU 32 -5.361 -7.060 -2.249 231 1HD2 LEU 32 1HD2 LEU 32 -6.737 -4.868 -2.913 232 2HD2 LEU 32 2HD2 LEU 32 -6.731 -4.732 -1.151 233 3HD2 LEU 32 3HD2 LEU 32 -8.270 -4.718 -2.018 234 H VAL 33 H VAL 33 -9.186 -7.242 -6.446 235 HA VAL 33 HA VAL 33 -10.592 -9.876 -6.238 236 HB VAL 33 HB VAL 33 -11.119 -7.377 -7.920 237 1HG1 VAL 33 1HG1 VAL 33 -12.942 -8.479 -9.056 238 2HG1 VAL 33 2HG1 VAL 33 -11.425 -9.294 -9.423 239 3HG1 VAL 33 3HG1 VAL 33 -12.570 -10.013 -8.254 240 1HG2 VAL 33 1HG2 VAL 33 -13.434 -7.655 -6.857 241 2HG2 VAL 33 2HG2 VAL 33 -12.725 -8.895 -5.828 242 3HG2 VAL 33 3HG2 VAL 33 -12.122 -7.234 -5.737 243 H HIS 34 H HIS 34 -8.299 -7.835 -8.055 244 HA HIS 34 HA HIS 34 -7.607 -10.173 -9.772 245 1HB HIS 34 1HB HIS 34 -6.843 -7.236 -9.971 246 2HB HIS 34 2HB HIS 34 -6.603 -8.489 -11.195 247 HD1 HIS 34 HD1 HIS 34 -8.944 -9.414 -12.392 248 HD2 HIS 34 HD2 HIS 34 -9.200 -6.006 -9.909 249 HE1 HIS 34 HE1 HIS 34 -11.149 -8.238 -12.973 250 H SER 35 H SER 35 -5.226 -10.726 -9.938 251 HA SER 35 HA SER 35 -3.774 -10.388 -7.457 252 1HB SER 35 1HB SER 35 -1.837 -11.196 -8.783 253 2HB SER 35 2HB SER 35 -3.235 -12.282 -8.863 254 HG SER 35 HG SER 35 -2.656 -10.307 -10.828 255 H GLY 36 H GLY 36 -3.115 -8.432 -6.819 256 1HA GLY 36 1HA GLY 36 -1.196 -6.963 -7.192 257 2HA GLY 36 2HA GLY 36 -1.920 -6.575 -8.780 258 H ASP 37 H ASP 37 -4.622 -6.624 -7.241 259 HA ASP 37 HA ASP 37 -5.120 -3.886 -6.612 260 1HB ASP 37 1HB ASP 37 -6.399 -6.541 -5.919 261 2HB ASP 37 2HB ASP 37 -6.937 -5.061 -5.123 262 H PHE 38 H PHE 38 -3.924 -2.837 -5.031 263 HA PHE 38 HA PHE 38 -3.730 -4.219 -2.407 264 1HB PHE 38 1HB PHE 38 -1.660 -3.128 -1.878 265 2HB PHE 38 2HB PHE 38 -1.454 -3.896 -3.432 266 HD1 PHE 38 HD1 PHE 38 -1.109 -2.743 -5.465 267 HD2 PHE 38 HD2 PHE 38 -1.814 -0.548 -1.817 268 HE1 PHE 38 HE1 PHE 38 -0.732 -0.643 -6.663 269 HE2 PHE 38 HE2 PHE 38 -1.290 1.567 -3.010 270 HZ PHE 38 HZ PHE 38 -0.832 1.526 -5.474 271 H LEU 39 H LEU 39 -3.924 -2.918 -0.569 272 HA LEU 39 HA LEU 39 -4.928 -0.210 -0.909 273 1HB LEU 39 1HB LEU 39 -6.822 -0.407 0.432 274 2HB LEU 39 2HB LEU 39 -6.952 -1.649 -0.784 275 HG LEU 39 HG LEU 39 -5.901 -3.145 1.275 276 1HD1 LEU 39 1HD1 LEU 39 -7.050 -2.493 3.346 277 2HD1 LEU 39 2HD1 LEU 39 -7.285 -0.873 2.666 278 3HD1 LEU 39 3HD1 LEU 39 -5.648 -1.517 2.914 279 1HD2 LEU 39 1HD2 LEU 39 -8.113 -3.467 0.052 280 2HD2 LEU 39 2HD2 LEU 39 -8.799 -2.237 1.106 281 3HD2 LEU 39 3HD2 LEU 39 -8.227 -3.780 1.785 282 H VAL 40 H VAL 40 -4.754 0.923 1.162 283 HA VAL 40 HA VAL 40 -2.744 -0.275 3.007 284 HB VAL 40 HB VAL 40 -3.176 2.605 2.155 285 1HG1 VAL 40 1HG1 VAL 40 -2.658 2.553 4.523 286 2HG1 VAL 40 2HG1 VAL 40 -1.289 1.447 4.231 287 3HG1 VAL 40 3HG1 VAL 40 -1.285 3.111 3.567 288 1HG2 VAL 40 1HG2 VAL 40 -0.778 0.732 1.832 289 2HG2 VAL 40 2HG2 VAL 40 -1.839 1.267 0.506 290 3HG2 VAL 40 3HG2 VAL 40 -0.813 2.432 1.349 291 H ARG 41 H ARG 41 -3.350 -0.335 5.067 292 HA ARG 41 HA ARG 41 -5.924 0.851 5.791 293 1HB ARG 41 1HB ARG 41 -6.690 -1.213 6.779 294 2HB ARG 41 2HB ARG 41 -6.151 -1.588 5.119 295 1HG ARG 41 1HG ARG 41 -3.974 -2.318 6.057 296 2HG ARG 41 2HG ARG 41 -4.580 -2.112 7.706 297 1HD ARG 41 1HD ARG 41 -6.552 -3.653 6.843 298 2HD ARG 41 2HD ARG 41 -5.410 -4.058 5.553 299 HE ARG 41 HE ARG 41 -4.675 -4.219 8.441 300 1HH1 ARG 41 2HH1 ARG 41 -4.915 -5.954 5.395 301 2HH1 ARG 41 1HH1 ARG 41 -4.724 -7.542 6.088 302 1HH2 ARG 41 2HH2 ARG 41 -4.163 -6.234 9.349 303 2HH2 ARG 41 1HH2 ARG 41 -4.172 -7.679 8.395 304 H GLU 42 H GLU 42 -6.152 0.665 8.356 305 HA GLU 42 HA GLU 42 -3.472 1.154 9.573 306 1HB GLU 42 1HB GLU 42 -5.145 3.070 9.287 307 2HB GLU 42 2HB GLU 42 -6.067 2.322 10.584 308 1HG GLU 42 1HG GLU 42 -3.176 2.607 11.196 309 2HG GLU 42 2HG GLU 42 -3.958 4.139 10.852 310 H SER 43 H SER 43 -3.314 0.766 11.909 311 HA SER 43 HA SER 43 -3.724 -1.964 12.456 312 1HB SER 43 1HB SER 43 -2.549 -1.443 14.522 313 2HB SER 43 2HB SER 43 -1.780 -0.615 13.187 314 HG SER 43 HG SER 43 -3.326 1.250 13.935 315 H GLN 44 H GLN 44 -4.342 -2.537 14.842 316 HA GLN 44 HA GLN 44 -7.153 -2.026 15.231 317 1HB GLN 44 1HB GLN 44 -6.981 -3.437 17.174 318 2HB GLN 44 2HB GLN 44 -6.096 -4.183 15.849 319 1HG GLN 44 1HG GLN 44 -3.958 -3.443 16.821 320 2HG GLN 44 2HG GLN 44 -4.802 -2.554 18.084 321 1HE2 GLN 44 2HE2 GLN 44 -6.130 -3.852 19.717 322 2HE2 GLN 44 1HE2 GLN 44 -5.502 -5.418 20.117 323 H GLY 45 H GLY 45 -4.496 -0.048 15.864 324 1HA GLY 45 1HA GLY 45 -5.029 2.099 17.019 325 2HA GLY 45 2HA GLY 45 -5.641 1.126 18.367 326 H LYS 46 H LYS 46 -2.798 1.395 16.267 327 HA LYS 46 HA LYS 46 -0.901 1.235 18.539 328 1HB LYS 46 1HB LYS 46 -0.912 -0.358 15.935 329 2HB LYS 46 2HB LYS 46 0.589 -0.060 16.774 330 1HG LYS 46 1HG LYS 46 -1.777 -1.277 18.214 331 2HG LYS 46 2HG LYS 46 -0.653 -2.243 17.261 332 1HD LYS 46 1HD LYS 46 1.264 -1.390 18.537 333 2HD LYS 46 2HD LYS 46 0.200 -0.450 19.584 334 1HE LYS 46 1HE LYS 46 -0.060 -3.462 19.203 335 2HE LYS 46 2HE LYS 46 1.024 -2.739 20.399 336 1HZ LYS 46 1HZ LYS 46 -0.878 -1.634 21.382 337 2HZ LYS 46 2HZ LYS 46 -1.069 -3.279 21.409 338 3HZ LYS 46 3HZ LYS 46 -1.898 -2.343 20.344 339 H GLN 47 H GLN 47 -2.101 3.014 16.123 340 HA GLN 47 HA GLN 47 -1.494 4.694 14.820 341 1HB GLN 47 1HB GLN 47 0.871 4.963 16.682 342 2HB GLN 47 2HB GLN 47 0.431 6.135 15.454 343 1HG GLN 47 1HG GLN 47 -1.620 5.262 17.499 344 2HG GLN 47 2HG GLN 47 -0.403 6.479 17.884 345 1HE2 GLN 47 2HE2 GLN 47 -3.524 6.003 16.489 346 2HE2 GLN 47 1HE2 GLN 47 -3.673 7.661 15.917 347 H GLU 48 H GLU 48 -0.986 2.075 13.830 348 HA GLU 48 HA GLU 48 1.457 2.513 12.218 349 1HB GLU 48 1HB GLU 48 1.930 0.906 14.037 350 2HB GLU 48 2HB GLU 48 0.529 -0.054 13.559 351 1HG GLU 48 1HG GLU 48 2.431 -1.137 12.678 352 2HG GLU 48 2HG GLU 48 1.612 -0.437 11.312 353 H TYR 49 H TYR 49 1.263 1.870 10.034 354 HA TYR 49 HA TYR 49 -1.459 1.132 9.096 355 1HB TYR 49 1HB TYR 49 0.902 2.313 7.671 356 2HB TYR 49 2HB TYR 49 -0.603 1.795 6.892 357 HD1 TYR 49 HD1 TYR 49 1.054 4.668 7.890 358 HD2 TYR 49 HD2 TYR 49 -2.804 2.769 8.219 359 HE1 TYR 49 HE1 TYR 49 -0.003 6.861 8.099 360 HE2 TYR 49 HE2 TYR 49 -3.873 4.987 8.491 361 HH TYR 49 HH TYR 49 -3.571 7.261 8.376 362 H VAL 50 H VAL 50 -1.658 -0.406 7.332 363 HA VAL 50 HA VAL 50 0.468 -2.478 7.123 364 HB VAL 50 HB VAL 50 -2.514 -2.846 7.524 365 1HG1 VAL 50 1HG1 VAL 50 -0.368 -4.929 6.957 366 2HG1 VAL 50 2HG1 VAL 50 -1.984 -5.326 7.549 367 3HG1 VAL 50 3HG1 VAL 50 -1.796 -4.568 5.962 368 1HG2 VAL 50 1HG2 VAL 50 -1.158 -2.457 9.655 369 2HG2 VAL 50 2HG2 VAL 50 -2.189 -3.885 9.560 370 3HG2 VAL 50 3HG2 VAL 50 -0.466 -4.070 9.280 371 H LEU 51 H LEU 51 0.738 -3.161 5.026 372 HA LEU 51 HA LEU 51 -0.909 -2.018 2.839 373 1HB LEU 51 1HB LEU 51 1.734 -2.037 2.960 374 2HB LEU 51 2HB LEU 51 1.628 -3.765 2.847 375 HG LEU 51 HG LEU 51 0.515 -3.509 0.604 376 1HD1 LEU 51 1HD1 LEU 51 1.181 -0.569 1.040 377 2HD1 LEU 51 2HD1 LEU 51 -0.428 -1.280 0.754 378 3HD1 LEU 51 3HD1 LEU 51 0.776 -1.287 -0.535 379 1HD2 LEU 51 1HD2 LEU 51 3.004 -3.844 1.001 380 2HD2 LEU 51 2HD2 LEU 51 3.208 -2.094 0.913 381 3HD2 LEU 51 3HD2 LEU 51 2.634 -2.996 -0.517 382 H SER 52 H SER 52 -2.336 -3.419 1.714 383 HA SER 52 HA SER 52 -2.163 -6.348 2.325 384 1HB SER 52 1HB SER 52 -4.712 -4.742 2.149 385 2HB SER 52 2HB SER 52 -4.494 -6.447 2.596 386 HG SER 52 HG SER 52 -3.384 -4.254 3.977 387 H VAL 53 H VAL 53 -1.933 -7.487 0.420 388 HA VAL 53 HA VAL 53 -3.279 -6.430 -2.016 389 HB VAL 53 HB VAL 53 -0.915 -5.850 -2.017 390 1HG1 VAL 53 1HG1 VAL 53 -0.372 -8.833 -2.374 391 2HG1 VAL 53 2HG1 VAL 53 0.746 -7.471 -2.299 392 3HG1 VAL 53 3HG1 VAL 53 -0.115 -7.958 -0.846 393 1HG2 VAL 53 1HG2 VAL 53 -2.015 -6.084 -4.198 394 2HG2 VAL 53 2HG2 VAL 53 -0.379 -6.707 -4.313 395 3HG2 VAL 53 3HG2 VAL 53 -1.705 -7.835 -4.196 396 H LEU 54 H LEU 54 -4.108 -8.132 -3.336 397 HA LEU 54 HA LEU 54 -4.294 -10.870 -2.304 398 1HB LEU 54 1HB LEU 54 -6.075 -9.357 -3.526 399 2HB LEU 54 2HB LEU 54 -5.280 -9.874 -5.002 400 HG LEU 54 HG LEU 54 -5.838 -12.204 -4.479 401 1HD1 LEU 54 1HD1 LEU 54 -7.262 -10.990 -2.111 402 2HD1 LEU 54 2HD1 LEU 54 -6.002 -12.254 -2.159 403 3HD1 LEU 54 3HD1 LEU 54 -7.616 -12.606 -2.767 404 1HD2 LEU 54 1HD2 LEU 54 -7.164 -10.831 -5.963 405 2HD2 LEU 54 2HD2 LEU 54 -8.116 -10.253 -4.587 406 3HD2 LEU 54 3HD2 LEU 54 -8.187 -11.961 -5.051 407 H TRP 55 H TRP 55 -2.693 -12.330 -2.827 408 HA TRP 55 HA TRP 55 -1.314 -12.048 -5.423 409 1HB TRP 55 1HB TRP 55 -0.052 -11.177 -3.237 410 2HB TRP 55 2HB TRP 55 0.257 -12.881 -2.980 411 HD1 TRP 55 HD1 TRP 55 2.561 -13.473 -3.878 412 HE1 TRP 55 HE1 TRP 55 4.043 -12.806 -5.838 413 HE3 TRP 55 HE3 TRP 55 -0.486 -9.956 -6.022 414 HZ2 TRP 55 HZ2 TRP 55 4.120 -10.597 -7.817 415 HZ3 TRP 55 HZ3 TRP 55 0.313 -8.615 -7.936 416 HH2 TRP 55 HH2 TRP 55 2.627 -8.966 -8.851 417 H ASP 56 H ASP 56 -1.947 -13.770 -6.484 418 HA ASP 56 HA ASP 56 -2.829 -15.760 -7.025 419 1HB ASP 56 1HB ASP 56 -0.497 -16.266 -6.091 420 2HB ASP 56 2HB ASP 56 -1.308 -16.955 -4.700 421 H GLY 57 H GLY 57 -4.613 -14.221 -5.646 422 1HA GLY 57 1HA GLY 57 -6.699 -14.402 -4.718 423 2HA GLY 57 2HA GLY 57 -6.490 -16.148 -4.666 424 H LEU 58 H LEU 58 -3.932 -14.614 -3.053 425 HA LEU 58 HA LEU 58 -5.191 -15.134 -0.410 426 1HB LEU 58 1HB LEU 58 -3.369 -16.638 -1.146 427 2HB LEU 58 2HB LEU 58 -2.268 -15.255 -1.099 428 HG LEU 58 HG LEU 58 -3.834 -16.328 1.280 429 1HD1 LEU 58 1HD1 LEU 58 -0.927 -16.652 0.435 430 2HD1 LEU 58 2HD1 LEU 58 -2.196 -17.920 0.491 431 3HD1 LEU 58 3HD1 LEU 58 -1.608 -17.184 1.985 432 1HD2 LEU 58 1HD2 LEU 58 -1.985 -14.933 2.512 433 2HD2 LEU 58 2HD2 LEU 58 -3.371 -14.098 1.858 434 3HD2 LEU 58 3HD2 LEU 58 -1.823 -14.076 0.976 435 HA PRO 59 HA PRO 59 -4.478 -10.638 -0.220 436 1HB PRO 59 1HB PRO 59 -5.974 -10.137 1.999 437 2HB PRO 59 2HB PRO 59 -6.691 -10.377 0.371 438 1HG PRO 59 1HG PRO 59 -6.382 -12.437 2.583 439 2HG PRO 59 2HG PRO 59 -7.819 -12.069 1.546 440 1HD PRO 59 1HD PRO 59 -6.071 -14.104 1.145 441 2HD PRO 59 2HD PRO 59 -6.946 -13.301 -0.195 442 H ARG 60 H ARG 60 -2.258 -10.898 0.217 443 HA ARG 60 HA ARG 60 -1.249 -11.756 2.834 444 1HB ARG 60 1HB ARG 60 -0.060 -9.912 0.682 445 2HB ARG 60 2HB ARG 60 0.848 -10.687 1.974 446 1HG ARG 60 1HG ARG 60 -0.558 -12.288 -0.221 447 2HG ARG 60 2HG ARG 60 1.052 -11.624 -0.410 448 1HD ARG 60 1HD ARG 60 1.851 -12.872 1.544 449 2HD ARG 60 2HD ARG 60 0.236 -13.539 1.825 450 HE ARG 60 HE ARG 60 0.667 -14.347 -0.704 451 1HH1 ARG 60 2HH1 ARG 60 2.767 -14.589 2.187 452 2HH1 ARG 60 1HH1 ARG 60 3.475 -16.092 1.694 453 1HH2 ARG 60 2HH2 ARG 60 1.759 -16.341 -1.398 454 2HH2 ARG 60 1HH2 ARG 60 2.999 -16.991 -0.413 455 H HIS 61 H HIS 61 -0.122 -10.189 4.210 456 HA HIS 61 HA HIS 61 -0.974 -7.438 3.990 457 1HB HIS 61 1HB HIS 61 -1.267 -8.261 6.787 458 2HB HIS 61 2HB HIS 61 -2.256 -7.213 5.801 459 HD1 HIS 61 HD1 HIS 61 -4.197 -8.695 4.242 460 HD2 HIS 61 HD2 HIS 61 -1.875 -10.845 6.923 461 HE1 HIS 61 HE1 HIS 61 -5.551 -10.756 4.811 462 H PHE 62 H PHE 62 0.866 -6.273 4.346 463 HA PHE 62 HA PHE 62 3.012 -7.426 6.053 464 1HB PHE 62 1HB PHE 62 3.458 -5.737 3.556 465 2HB PHE 62 2HB PHE 62 4.677 -6.443 4.594 466 HD1 PHE 62 HD1 PHE 62 2.390 -6.982 1.821 467 HD2 PHE 62 HD2 PHE 62 5.017 -9.006 4.567 468 HE1 PHE 62 HE1 PHE 62 2.273 -8.994 0.419 469 HE2 PHE 62 HE2 PHE 62 5.054 -10.969 3.041 470 HZ PHE 62 HZ PHE 62 3.705 -11.001 0.980 471 H ILE 63 H ILE 63 3.661 -5.943 7.635 472 HA ILE 63 HA ILE 63 2.026 -3.586 8.060 473 HB ILE 63 HB ILE 63 4.436 -4.828 9.376 474 1HG1 ILE 63 1HG1 ILE 63 1.963 -5.519 9.736 475 2HG1 ILE 63 2HG1 ILE 63 2.981 -5.274 11.141 476 1HG2 ILE 63 1HG2 ILE 63 5.086 -2.576 9.621 477 2HG2 ILE 63 2HG2 ILE 63 3.423 -2.025 9.927 478 3HG2 ILE 63 3HG2 ILE 63 4.297 -3.009 11.130 479 1HD1 ILE 63 1HD1 ILE 63 0.598 -4.303 11.249 480 2HD1 ILE 63 2HD1 ILE 63 1.916 -3.236 11.736 481 3HD1 ILE 63 3HD1 ILE 63 1.179 -3.041 10.146 482 H ILE 64 H ILE 64 2.495 -1.404 7.613 483 HA ILE 64 HA ILE 64 4.235 -0.898 5.421 484 HB ILE 64 HB ILE 64 2.729 0.924 7.317 485 1HG1 ILE 64 1HG1 ILE 64 1.481 -0.659 5.722 486 2HG1 ILE 64 2HG1 ILE 64 1.044 1.008 5.717 487 1HG2 ILE 64 1HG2 ILE 64 4.532 2.269 6.541 488 2HG2 ILE 64 2HG2 ILE 64 4.340 1.704 4.868 489 3HG2 ILE 64 3HG2 ILE 64 3.100 2.715 5.633 490 1HD1 ILE 64 1HD1 ILE 64 1.137 0.076 3.476 491 2HD1 ILE 64 2HD1 ILE 64 2.299 1.400 3.648 492 3HD1 ILE 64 3HD1 ILE 64 2.873 -0.291 3.709 493 H GLN 65 H GLN 65 6.030 0.095 5.384 494 HA GLN 65 HA GLN 65 8.136 -0.534 7.137 495 1HB GLN 65 1HB GLN 65 8.196 1.800 5.191 496 2HB GLN 65 2HB GLN 65 9.468 0.687 5.563 497 1HG GLN 65 1HG GLN 65 8.765 0.010 3.397 498 2HG GLN 65 2HG GLN 65 7.889 -1.123 4.396 499 1HE2 GLN 65 2HE2 GLN 65 7.683 1.995 2.520 500 2HE2 GLN 65 1HE2 GLN 65 5.980 1.792 2.155 501 H SER 66 H SER 66 9.644 0.993 8.184 502 HA SER 66 HA SER 66 9.258 3.697 8.552 503 1HB SER 66 1HB SER 66 7.265 2.848 9.995 504 2HB SER 66 2HB SER 66 8.493 2.169 11.042 505 HG SER 66 HG SER 66 7.509 4.560 11.071 506 H LEU 67 H LEU 67 11.234 4.373 9.327 507 HA LEU 67 HA LEU 67 13.063 2.382 10.582 508 1HB LEU 67 1HB LEU 67 14.866 3.129 9.021 509 2HB LEU 67 2HB LEU 67 13.669 2.060 8.345 510 HG LEU 67 HG LEU 67 13.398 5.088 7.943 511 1HD1 LEU 67 1HD1 LEU 67 15.673 4.558 7.255 512 2HD1 LEU 67 2HD1 LEU 67 14.689 4.728 5.795 513 3HD1 LEU 67 3HD1 LEU 67 15.131 3.109 6.391 514 1HD2 LEU 67 1HD2 LEU 67 12.292 2.579 6.687 515 2HD2 LEU 67 2HD2 LEU 67 12.466 4.050 5.689 516 3HD2 LEU 67 3HD2 LEU 67 11.478 4.048 7.148 517 H ASP 68 H ASP 68 12.472 5.869 9.855 518 HA ASP 68 HA ASP 68 13.528 6.451 12.452 519 1HB ASP 68 1HB ASP 68 15.396 6.647 10.179 520 2HB ASP 68 2HB ASP 68 15.135 8.225 10.908 521 H ASN 69 H ASN 69 13.081 7.925 9.232 522 HA ASN 69 HA ASN 69 10.792 9.471 10.155 523 1HB ASN 69 1HB ASN 69 12.873 10.847 10.738 524 2HB ASN 69 2HB ASN 69 13.234 10.876 8.999 525 1HD2 ASN 69 2HD2 ASN 69 12.767 12.910 8.309 526 2HD2 ASN 69 1HD2 ASN 69 11.231 13.686 8.520 527 H LEU 70 H LEU 70 11.301 7.263 8.291 528 HA LEU 70 HA LEU 70 10.481 8.418 5.721 529 1HB LEU 70 1HB LEU 70 12.724 6.384 5.993 530 2HB LEU 70 2HB LEU 70 12.157 7.082 4.507 531 HG LEU 70 HG LEU 70 13.341 8.961 6.563 532 1HD1 LEU 70 1HD1 LEU 70 14.985 7.093 4.874 533 2HD1 LEU 70 2HD1 LEU 70 14.832 7.118 6.660 534 3HD1 LEU 70 3HD1 LEU 70 15.573 8.488 5.812 535 1HD2 LEU 70 1HD2 LEU 70 13.473 8.850 3.532 536 2HD2 LEU 70 2HD2 LEU 70 14.019 10.171 4.593 537 3HD2 LEU 70 3HD2 LEU 70 12.288 9.779 4.490 538 H TYR 71 H TYR 71 10.167 6.283 4.239 539 HA TYR 71 HA TYR 71 9.421 3.855 5.801 540 1HB TYR 71 1HB TYR 71 7.801 4.953 3.425 541 2HB TYR 71 2HB TYR 71 7.329 3.670 4.509 542 HD1 TYR 71 HD1 TYR 71 6.468 4.210 6.772 543 HD2 TYR 71 HD2 TYR 71 7.480 7.309 3.979 544 HE1 TYR 71 HE1 TYR 71 5.178 5.776 8.110 545 HE2 TYR 71 HE2 TYR 71 6.197 8.937 5.300 546 HH TYR 71 HH TYR 71 5.265 9.253 7.472 547 H ARG 72 H ARG 72 10.448 2.063 4.755 548 HA ARG 72 HA ARG 72 11.094 2.249 1.890 549 1HB ARG 72 1HB ARG 72 13.353 1.934 2.171 550 2HB ARG 72 2HB ARG 72 12.981 3.251 3.263 551 1HG ARG 72 1HG ARG 72 14.439 2.069 4.509 552 2HG ARG 72 2HG ARG 72 12.904 1.418 5.093 553 1HD ARG 72 1HD ARG 72 13.349 -0.676 4.319 554 2HD ARG 72 2HD ARG 72 14.044 -0.108 2.799 555 HE ARG 72 HE ARG 72 15.391 -0.781 5.275 556 1HH1 ARG 72 2HH1 ARG 72 15.792 0.987 2.186 557 2HH1 ARG 72 1HH1 ARG 72 17.325 1.661 2.684 558 1HH2 ARG 72 2HH2 ARG 72 17.628 -0.507 5.470 559 2HH2 ARG 72 1HH2 ARG 72 18.535 0.494 4.374 560 H LEU 73 H LEU 73 11.165 0.103 0.932 561 HA LEU 73 HA LEU 73 10.644 -2.056 2.935 562 1HB LEU 73 1HB LEU 73 8.664 -1.304 1.613 563 2HB LEU 73 2HB LEU 73 9.433 -1.906 0.149 564 HG LEU 73 HG LEU 73 9.315 -4.092 0.735 565 1HD1 LEU 73 1HD1 LEU 73 8.587 -3.339 3.617 566 2HD1 LEU 73 2HD1 LEU 73 10.050 -4.214 3.077 567 3HD1 LEU 73 3HD1 LEU 73 8.472 -4.976 2.923 568 1HD2 LEU 73 1HD2 LEU 73 6.808 -2.802 1.867 569 2HD2 LEU 73 2HD2 LEU 73 6.946 -4.410 1.128 570 3HD2 LEU 73 3HD2 LEU 73 7.233 -2.959 0.144 571 H GLU 74 H GLU 74 11.539 -1.856 -0.524 572 HA GLU 74 HA GLU 74 13.579 -3.942 -0.024 573 1HB GLU 74 1HB GLU 74 11.722 -4.308 -1.680 574 2HB GLU 74 2HB GLU 74 12.338 -2.991 -2.629 575 1HG GLU 74 1HG GLU 74 13.013 -5.143 -3.578 576 2HG GLU 74 2HG GLU 74 14.404 -4.182 -3.118 577 H GLY 75 H GLY 75 13.075 -0.633 -0.913 578 1HA GLY 75 1HA GLY 75 15.815 -0.247 -1.991 579 2HA GLY 75 2HA GLY 75 14.326 0.561 -2.508 580 H GLU 76 H GLU 76 15.667 2.591 -1.997 581 HA GLU 76 HA GLU 76 16.280 3.250 0.746 582 1HB GLU 76 1HB GLU 76 16.745 5.418 -0.033 583 2HB GLU 76 2HB GLU 76 17.347 4.306 -1.255 584 1HG GLU 76 1HG GLU 76 15.281 4.751 -2.626 585 2HG GLU 76 2HG GLU 76 14.736 5.904 -1.408 586 H GLY 77 H GLY 77 15.214 5.290 1.754 587 1HA GLY 77 1HA GLY 77 12.328 4.760 1.799 588 2HA GLY 77 2HA GLY 77 13.266 5.614 3.038 589 H PHE 78 H PHE 78 10.860 6.583 2.256 590 HA PHE 78 HA PHE 78 11.602 9.144 0.970 591 1HB PHE 78 1HB PHE 78 9.392 7.229 0.183 592 2HB PHE 78 2HB PHE 78 9.103 8.930 0.048 593 HD1 PHE 78 HD1 PHE 78 11.175 6.139 -1.273 594 HD2 PHE 78 HD2 PHE 78 10.280 10.355 -1.589 595 HE1 PHE 78 HE1 PHE 78 12.360 6.245 -3.447 596 HE2 PHE 78 HE2 PHE 78 11.429 10.431 -3.763 597 HZ PHE 78 HZ PHE 78 12.477 8.378 -4.703 598 HA PRO 79 HA PRO 79 9.537 10.880 4.475 599 1HB PRO 79 1HB PRO 79 8.723 13.320 3.567 600 2HB PRO 79 2HB PRO 79 10.458 12.854 3.538 601 1HG PRO 79 1HG PRO 79 8.438 12.642 1.312 602 2HG PRO 79 2HG PRO 79 10.037 13.465 1.264 603 1HD PRO 79 1HD PRO 79 9.719 10.919 0.392 604 2HD PRO 79 2HD PRO 79 11.193 11.391 1.290 605 H SER 80 H SER 80 7.622 9.654 2.039 606 HA SER 80 HA SER 80 5.090 10.027 3.492 607 1HB SER 80 1HB SER 80 5.172 10.447 0.497 608 2HB SER 80 2HB SER 80 3.852 10.716 1.549 609 HG SER 80 HG SER 80 4.823 12.642 0.908 610 H ILE 81 H ILE 81 3.714 8.283 3.089 611 HA ILE 81 HA ILE 81 4.934 5.822 2.130 612 HB ILE 81 HB ILE 81 2.134 6.550 3.049 613 1HG1 ILE 81 1HG1 ILE 81 3.908 4.436 4.261 614 2HG1 ILE 81 2HG1 ILE 81 4.404 6.078 4.502 615 1HG2 ILE 81 1HG2 ILE 81 1.556 4.165 2.898 616 2HG2 ILE 81 2HG2 ILE 81 1.866 4.833 1.308 617 3HG2 ILE 81 3HG2 ILE 81 3.101 3.826 2.085 618 1HD1 ILE 81 1HD1 ILE 81 1.580 5.510 5.238 619 2HD1 ILE 81 2HD1 ILE 81 2.862 4.883 6.284 620 3HD1 ILE 81 3HD1 ILE 81 2.737 6.627 5.935 621 HA PRO 82 HA PRO 82 2.035 6.627 -1.581 622 1HB PRO 82 1HB PRO 82 1.494 9.234 -2.360 623 2HB PRO 82 2HB PRO 82 0.444 8.207 -1.347 624 1HG PRO 82 1HG PRO 82 2.396 10.278 -0.423 625 2HG PRO 82 2HG PRO 82 0.735 9.997 0.177 626 1HD PRO 82 1HD PRO 82 2.745 9.086 1.544 627 2HD PRO 82 2HD PRO 82 1.348 8.062 1.371 628 H LEU 83 H LEU 83 4.682 8.843 -0.863 629 HA LEU 83 HA LEU 83 5.795 9.031 -3.503 630 1HB LEU 83 1HB LEU 83 6.748 9.483 -0.685 631 2HB LEU 83 2HB LEU 83 7.961 9.275 -1.924 632 HG LEU 83 HG LEU 83 5.727 11.250 -2.412 633 1HD1 LEU 83 1HD1 LEU 83 6.920 11.756 -0.178 634 2HD1 LEU 83 2HD1 LEU 83 6.950 13.012 -1.408 635 3HD1 LEU 83 3HD1 LEU 83 8.382 12.007 -1.128 636 1HD2 LEU 83 1HD2 LEU 83 7.339 12.288 -3.810 637 2HD2 LEU 83 2HD2 LEU 83 7.279 10.571 -4.261 638 3HD2 LEU 83 3HD2 LEU 83 8.636 11.184 -3.307 639 H LEU 84 H LEU 84 6.287 6.738 -0.814 640 HA LEU 84 HA LEU 84 8.344 5.280 -2.182 641 1HB LEU 84 1HB LEU 84 7.595 5.445 0.361 642 2HB LEU 84 2HB LEU 84 6.490 4.115 -0.096 643 HG LEU 84 HG LEU 84 8.473 3.326 1.055 644 1HD1 LEU 84 1HD1 LEU 84 8.751 2.364 -1.776 645 2HD1 LEU 84 2HD1 LEU 84 7.350 1.919 -0.759 646 3HD1 LEU 84 3HD1 LEU 84 9.001 1.474 -0.268 647 1HD2 LEU 84 1HD2 LEU 84 10.097 5.009 0.253 648 2HD2 LEU 84 2HD2 LEU 84 10.093 4.233 -1.356 649 3HD2 LEU 84 3HD2 LEU 84 10.688 3.358 0.053 650 H ILE 85 H ILE 85 4.818 5.033 -1.979 651 HA ILE 85 HA ILE 85 4.468 2.551 -3.252 652 HB ILE 85 HB ILE 85 2.758 5.057 -3.325 653 1HG1 ILE 85 1HG1 ILE 85 2.873 4.123 -1.101 654 2HG1 ILE 85 2HG1 ILE 85 1.293 3.840 -1.769 655 1HG2 ILE 85 1HG2 ILE 85 2.024 2.322 -4.378 656 2HG2 ILE 85 2HG2 ILE 85 0.875 3.641 -4.094 657 3HG2 ILE 85 3HG2 ILE 85 2.149 3.823 -5.302 658 1HD1 ILE 85 1HD1 ILE 85 1.917 1.461 -2.195 659 2HD1 ILE 85 2HD1 ILE 85 3.518 1.784 -1.468 660 3HD1 ILE 85 3HD1 ILE 85 2.052 1.924 -0.491 661 H ASP 86 H ASP 86 5.087 5.795 -4.853 662 HA ASP 86 HA ASP 86 4.777 4.678 -7.465 663 1HB ASP 86 1HB ASP 86 4.847 7.080 -7.141 664 2HB ASP 86 2HB ASP 86 6.504 7.021 -6.537 665 H HIS 87 H HIS 87 7.704 5.065 -5.471 666 HA HIS 87 HA HIS 87 9.443 3.951 -7.458 667 1HB HIS 87 1HB HIS 87 9.696 4.760 -4.627 668 2HB HIS 87 2HB HIS 87 10.787 3.483 -5.101 669 HD1 HIS 87 HD1 HIS 87 13.020 4.296 -6.023 670 HD2 HIS 87 HD2 HIS 87 9.807 6.952 -6.727 671 HE1 HIS 87 HE1 HIS 87 14.025 6.360 -7.109 672 H LEU 88 H LEU 88 7.053 2.357 -5.624 673 HA LEU 88 HA LEU 88 8.323 -0.287 -6.222 674 1HB LEU 88 1HB LEU 88 6.029 0.621 -4.430 675 2HB LEU 88 2HB LEU 88 6.245 -1.057 -4.969 676 HG LEU 88 HG LEU 88 7.649 0.605 -2.962 677 1HD1 LEU 88 1HD1 LEU 88 7.383 -2.378 -3.469 678 2HD1 LEU 88 2HD1 LEU 88 6.165 -1.421 -2.608 679 3HD1 LEU 88 3HD1 LEU 88 7.793 -1.656 -1.888 680 1HD2 LEU 88 1HD2 LEU 88 9.739 -0.818 -2.931 681 2HD2 LEU 88 2HD2 LEU 88 9.686 0.329 -4.274 682 3HD2 LEU 88 3HD2 LEU 88 9.326 -1.394 -4.537 683 H LEU 89 H LEU 89 5.554 1.838 -6.959 684 HA LEU 89 HA LEU 89 4.108 -0.252 -8.356 685 1HB LEU 89 1HB LEU 89 3.316 1.948 -7.068 686 2HB LEU 89 2HB LEU 89 3.391 2.670 -8.667 687 HG LEU 89 HG LEU 89 2.053 0.007 -8.259 688 1HD1 LEU 89 1HD1 LEU 89 -0.063 1.181 -7.615 689 2HD1 LEU 89 2HD1 LEU 89 0.868 2.670 -7.425 690 3HD1 LEU 89 3HD1 LEU 89 1.222 1.257 -6.400 691 1HD2 LEU 89 1HD2 LEU 89 2.039 0.771 -10.509 692 2HD2 LEU 89 2HD2 LEU 89 1.264 2.316 -10.018 693 3HD2 LEU 89 3HD2 LEU 89 0.405 0.766 -9.838 694 H SER 90 H SER 90 6.233 2.393 -9.282 695 HA SER 90 HA SER 90 5.658 1.874 -12.094 696 1HB SER 90 1HB SER 90 5.980 4.180 -10.800 697 2HB SER 90 2HB SER 90 7.692 3.892 -11.135 698 HG SER 90 HG SER 90 6.555 5.118 -12.688 699 H THR 91 H THR 91 7.481 0.372 -9.843 700 HA THR 91 HA THR 91 9.761 -0.214 -11.670 701 HB THR 91 HB THR 91 11.225 -0.361 -9.838 702 HG1 THR 91 HG1 THR 91 9.818 0.377 -7.749 703 1HG2 THR 91 1HG2 THR 91 10.607 2.022 -10.506 704 2HG2 THR 91 2HG2 THR 91 11.211 1.861 -8.843 705 3HG2 THR 91 3HG2 THR 91 9.485 2.065 -9.140 706 H GLN 92 H GLN 92 7.241 -1.475 -9.535 707 HA GLN 92 HA GLN 92 6.301 -3.512 -9.360 708 1HB GLN 92 1HB GLN 92 7.850 -4.516 -11.754 709 2HB GLN 92 2HB GLN 92 6.333 -5.104 -11.136 710 1HG GLN 92 1HG GLN 92 6.641 -2.332 -12.423 711 2HG GLN 92 2HG GLN 92 6.214 -3.798 -13.290 712 1HE2 GLN 92 2HE2 GLN 92 5.078 -1.874 -10.416 713 2HE2 GLN 92 1HE2 GLN 92 3.546 -2.668 -10.333 714 H GLN 93 H GLN 93 8.622 -2.736 -8.022 715 HA GLN 93 HA GLN 93 10.562 -4.848 -7.847 716 1HB GLN 93 1HB GLN 93 9.966 -2.328 -6.399 717 2HB GLN 93 2HB GLN 93 10.672 -3.574 -5.363 718 1HG GLN 93 1HG GLN 93 12.587 -3.811 -6.849 719 2HG GLN 93 2HG GLN 93 11.894 -2.650 -7.983 720 1HE2 GLN 93 2HE2 GLN 93 11.540 -0.483 -7.271 721 2HE2 GLN 93 1HE2 GLN 93 12.543 0.250 -6.047 722 HA PRO 94 HA PRO 94 8.351 -7.619 -5.200 723 1HB PRO 94 1HB PRO 94 10.386 -9.048 -4.022 724 2HB PRO 94 2HB PRO 94 9.882 -9.267 -5.722 725 1HG PRO 94 1HG PRO 94 12.179 -7.624 -4.608 726 2HG PRO 94 2HG PRO 94 12.176 -8.688 -6.049 727 1HD PRO 94 1HD PRO 94 11.895 -5.925 -6.158 728 2HD PRO 94 2HD PRO 94 11.181 -7.024 -7.372 729 H LEU 95 H LEU 95 7.552 -7.456 -3.225 730 HA LEU 95 HA LEU 95 8.300 -5.342 -1.422 731 1HB LEU 95 1HB LEU 95 6.373 -7.666 -1.026 732 2HB LEU 95 2HB LEU 95 6.478 -6.284 0.017 733 HG LEU 95 HG LEU 95 5.421 -6.427 -2.783 734 1HD1 LEU 95 1HD1 LEU 95 3.523 -5.278 -1.752 735 2HD1 LEU 95 2HD1 LEU 95 4.409 -5.186 -0.207 736 3HD1 LEU 95 3HD1 LEU 95 3.917 -6.765 -0.856 737 1HD2 LEU 95 1HD2 LEU 95 6.842 -4.514 -2.983 738 2HD2 LEU 95 2HD2 LEU 95 6.192 -3.838 -1.467 739 3HD2 LEU 95 3HD2 LEU 95 5.161 -3.996 -2.904 740 H THR 96 H THR 96 8.670 -8.898 -1.276 741 HA THR 96 HA THR 96 10.817 -8.629 0.668 742 HB THR 96 HB THR 96 9.020 -8.664 2.240 743 HG1 THR 96 HG1 THR 96 10.413 -10.027 3.004 744 1HG2 THR 96 1HG2 THR 96 7.240 -10.362 2.315 745 2HG2 THR 96 2HG2 THR 96 7.748 -11.001 0.743 746 3HG2 THR 96 3HG2 THR 96 7.094 -9.348 0.883 747 H LYS 97 H LYS 97 12.244 -10.378 0.407 748 HA LYS 97 HA LYS 97 11.893 -12.070 -1.888 749 1HB LYS 97 1HB LYS 97 14.040 -11.431 -0.104 750 2HB LYS 97 2HB LYS 97 13.779 -13.155 0.075 751 1HG LYS 97 1HG LYS 97 15.431 -12.776 -1.642 752 2HG LYS 97 2HG LYS 97 13.969 -13.412 -2.400 753 1HD LYS 97 1HD LYS 97 13.336 -11.039 -3.028 754 2HD LYS 97 2HD LYS 97 14.906 -10.511 -2.410 755 1HE LYS 97 1HE LYS 97 16.093 -11.632 -4.097 756 2HE LYS 97 2HE LYS 97 14.775 -12.773 -4.422 757 1HZ LYS 97 1HZ LYS 97 13.576 -11.104 -5.561 758 2HZ LYS 97 2HZ LYS 97 15.128 -10.952 -6.086 759 3HZ LYS 97 3HZ LYS 97 14.576 -9.889 -5.013 760 H LYS 98 H LYS 98 10.593 -12.320 1.319 761 HA LYS 98 HA LYS 98 10.274 -15.181 1.294 762 1HB LYS 98 1HB LYS 98 8.706 -12.952 2.718 763 2HB LYS 98 2HB LYS 98 8.392 -14.656 2.978 764 1HG LYS 98 1HG LYS 98 10.956 -13.199 3.620 765 2HG LYS 98 2HG LYS 98 9.783 -13.898 4.746 766 1HD LYS 98 1HD LYS 98 11.088 -15.745 4.739 767 2HD LYS 98 2HD LYS 98 10.333 -16.084 3.172 768 1HE LYS 98 1HE LYS 98 12.768 -16.310 2.984 769 2HE LYS 98 2HE LYS 98 12.221 -14.935 2.034 770 1HZ LYS 98 1HZ LYS 98 14.100 -14.184 3.152 771 2HZ LYS 98 2HZ LYS 98 13.683 -14.864 4.589 772 3HZ LYS 98 3HZ LYS 98 12.894 -13.541 4.019 773 H SER 99 H SER 99 8.603 -12.767 -0.546 774 HA SER 99 HA SER 99 6.853 -14.970 -1.338 775 1HB SER 99 1HB SER 99 5.704 -12.368 -0.289 776 2HB SER 99 2HB SER 99 4.762 -13.687 -1.020 777 HG SER 99 HG SER 99 6.105 -14.866 0.812 778 H GLY 100 H GLY 100 8.580 -12.106 -2.229 779 1HA GLY 100 1HA GLY 100 8.977 -11.107 -4.175 780 2HA GLY 100 2HA GLY 100 8.287 -12.494 -4.989 781 H VAL 101 H VAL 101 5.964 -10.959 -2.959 782 HA VAL 101 HA VAL 101 4.095 -10.181 -4.767 783 HB VAL 101 HB VAL 101 4.829 -8.746 -2.202 784 1HG1 VAL 101 1HG1 VAL 101 2.515 -8.464 -1.850 785 2HG1 VAL 101 2HG1 VAL 101 2.949 -7.737 -3.384 786 3HG1 VAL 101 3HG1 VAL 101 2.100 -9.312 -3.375 787 1HG2 VAL 101 1HG2 VAL 101 4.898 -10.798 -1.340 788 2HG2 VAL 101 2HG2 VAL 101 3.175 -10.488 -1.166 789 3HG2 VAL 101 3HG2 VAL 101 3.704 -11.513 -2.499 790 H VAL 102 H VAL 102 3.552 -8.160 -5.881 791 HA VAL 102 HA VAL 102 5.482 -5.935 -5.576 792 HB VAL 102 HB VAL 102 5.674 -5.593 -7.858 793 1HG1 VAL 102 1HG1 VAL 102 6.599 -7.557 -8.852 794 2HG1 VAL 102 2HG1 VAL 102 7.010 -7.532 -7.136 795 3HG1 VAL 102 3HG1 VAL 102 5.731 -8.616 -7.732 796 1HG2 VAL 102 1HG2 VAL 102 3.796 -5.631 -9.027 797 2HG2 VAL 102 2HG2 VAL 102 4.323 -7.245 -9.482 798 3HG2 VAL 102 3HG2 VAL 102 3.130 -7.017 -8.172 799 H LEU 103 H LEU 103 4.306 -3.818 -6.630 800 HA LEU 103 HA LEU 103 1.452 -3.758 -5.812 801 1HB LEU 103 1HB LEU 103 3.263 -1.521 -6.775 802 2HB LEU 103 2HB LEU 103 1.627 -1.368 -6.160 803 HG LEU 103 HG LEU 103 4.162 -2.019 -4.645 804 1HD1 LEU 103 1HD1 LEU 103 3.595 0.347 -5.165 805 2HD1 LEU 103 2HD1 LEU 103 3.636 0.008 -3.425 806 3HD1 LEU 103 3HD1 LEU 103 2.069 0.128 -4.268 807 1HD2 LEU 103 1HD2 LEU 103 1.317 -2.442 -3.698 808 2HD2 LEU 103 2HD2 LEU 103 2.624 -2.006 -2.575 809 3HD2 LEU 103 3HD2 LEU 103 2.779 -3.455 -3.565 810 H HIS 104 H HIS 104 -0.128 -3.561 -7.517 811 HA HIS 104 HA HIS 104 0.887 -3.211 -10.307 812 1HB HIS 104 1HB HIS 104 -0.146 -5.643 -8.994 813 2HB HIS 104 2HB HIS 104 -0.932 -5.290 -10.529 814 HD1 HIS 104 HD1 HIS 104 2.216 -4.418 -11.843 815 HD2 HIS 104 HD2 HIS 104 0.672 -7.903 -10.014 816 HE1 HIS 104 HE1 HIS 104 3.598 -6.296 -12.646 817 H ARG 105 H ARG 105 -1.972 -3.181 -8.042 818 HA ARG 105 HA ARG 105 -3.308 -1.310 -9.824 819 1HB ARG 105 1HB ARG 105 -4.054 -3.678 -10.494 820 2HB ARG 105 2HB ARG 105 -4.625 -3.887 -8.850 821 1HG ARG 105 1HG ARG 105 -6.509 -3.369 -10.150 822 2HG ARG 105 2HG ARG 105 -6.198 -1.932 -9.200 823 1HD ARG 105 1HD ARG 105 -5.094 -0.874 -11.163 824 2HD ARG 105 2HD ARG 105 -5.341 -2.340 -12.113 825 HE ARG 105 HE ARG 105 -7.236 -0.247 -11.507 826 1HH1 ARG 105 2HH1 ARG 105 -7.064 -3.704 -12.390 827 2HH1 ARG 105 1HH1 ARG 105 -8.682 -3.718 -13.057 828 1HH2 ARG 105 2HH2 ARG 105 -9.401 -0.380 -12.142 829 2HH2 ARG 105 1HH2 ARG 105 -10.030 -1.800 -12.898 830 H ALA 106 H ALA 106 -4.826 -0.064 -8.552 831 HA ALA 106 HA ALA 106 -4.623 -0.498 -5.592 832 1HB ALA 106 1HB ALA 106 -4.826 2.072 -7.198 833 2HB ALA 106 2HB ALA 106 -4.887 1.958 -5.429 834 3HB ALA 106 3HB ALA 106 -3.402 1.489 -6.297 835 H VAL 107 H VAL 107 -6.553 -0.371 -4.421 836 HA VAL 107 HA VAL 107 -9.082 -0.453 -5.949 837 HB VAL 107 HB VAL 107 -8.673 -0.637 -2.949 838 1HG1 VAL 107 1HG1 VAL 107 -10.884 -1.711 -3.037 839 2HG1 VAL 107 2HG1 VAL 107 -10.986 -0.133 -3.794 840 3HG1 VAL 107 3HG1 VAL 107 -10.912 -1.597 -4.805 841 1HG2 VAL 107 1HG2 VAL 107 -8.591 -2.852 -5.021 842 2HG2 VAL 107 2HG2 VAL 107 -7.389 -2.460 -3.759 843 3HG2 VAL 107 3HG2 VAL 107 -8.969 -3.108 -3.307 844 HA PRO 108 HA PRO 108 -9.251 3.947 -4.938 845 1HB PRO 108 1HB PRO 108 -11.219 4.714 -6.628 846 2HB PRO 108 2HB PRO 108 -9.580 4.271 -7.199 847 1HG PRO 108 1HG PRO 108 -12.116 2.604 -7.292 848 2HG PRO 108 2HG PRO 108 -10.770 2.670 -8.469 849 1HD PRO 108 1HD PRO 108 -11.158 0.759 -6.424 850 2HD PRO 108 2HD PRO 108 -9.673 1.034 -7.385 851 H SER 109 H SER 109 -10.004 4.356 -2.957 852 HA SER 109 HA SER 109 -12.830 3.733 -2.280 853 1HB SER 109 1HB SER 109 -10.963 2.769 -1.020 854 2HB SER 109 2HB SER 109 -10.454 4.368 -0.506 855 HG SER 109 HG SER 109 -12.023 4.466 0.840 856 H GLY 110 H GLY 110 -10.893 6.421 -3.185 857 1HA GLY 110 1HA GLY 110 -11.738 8.541 -3.671 858 2HA GLY 110 2HA GLY 110 -13.109 8.270 -2.585 859 HA PRO 111 HA PRO 111 -9.400 10.634 -0.910 860 1HB PRO 111 1HB PRO 111 -10.019 13.300 -1.125 861 2HB PRO 111 2HB PRO 111 -9.448 12.290 -2.478 862 1HG PRO 111 1HG PRO 111 -12.299 13.019 -1.775 863 2HG PRO 111 2HG PRO 111 -11.484 13.098 -3.369 864 1HD PRO 111 1HD PRO 111 -13.067 10.984 -2.627 865 2HD PRO 111 2HD PRO 111 -11.641 10.785 -3.684 866 H SER 112 H SER 112 -12.053 9.806 0.633 867 HA SER 112 HA SER 112 -11.166 11.147 3.107 868 1HB SER 112 1HB SER 112 -14.087 10.720 2.345 869 2HB SER 112 2HB SER 112 -13.479 11.359 3.883 870 HG SER 112 HG SER 112 -14.014 13.116 2.694 871 H SER 113 H SER 113 -11.424 9.797 4.982 872 HA SER 113 HA SER 113 -12.308 7.053 4.676 873 1HB SER 113 1HB SER 113 -10.041 6.127 5.236 874 2HB SER 113 2HB SER 113 -10.153 6.782 3.600 875 HG SER 113 HG SER 113 -8.760 7.716 5.822 876 H GLY 114 H GLY 114 -13.254 6.671 6.677 877 1HA GLY 114 1HA GLY 114 -11.810 7.239 9.095 878 2HA GLY 114 2HA GLY 114 -13.199 8.332 8.844 Start of MODEL 10 1 1H GLY 1 H GLY 1 -11.340 15.024 -8.513 2 1HA GLY 1 1HA GLY 1 -10.402 17.115 -9.332 3 2HA GLY 1 2HA GLY 1 -8.927 16.209 -9.756 4 H SER 2 H SER 2 -11.584 17.544 -11.140 5 HA SER 2 HA SER 2 -13.183 15.605 -11.948 6 1HB SER 2 1HB SER 2 -12.587 18.232 -13.305 7 2HB SER 2 2HB SER 2 -14.116 17.367 -13.421 8 HG SER 2 HG SER 2 -14.426 17.593 -11.243 9 H SER 3 H SER 3 -10.201 15.928 -13.607 10 HA SER 3 HA SER 3 -11.306 14.129 -15.664 11 1HB SER 3 1HB SER 3 -9.562 16.555 -16.175 12 2HB SER 3 2HB SER 3 -9.735 15.243 -17.349 13 HG SER 3 HG SER 3 -11.206 17.112 -17.568 14 H GLY 4 H GLY 4 -9.218 14.394 -13.117 15 1HA GLY 4 1HA GLY 4 -6.939 12.979 -14.368 16 2HA GLY 4 2HA GLY 4 -6.943 13.862 -12.839 17 H SER 5 H SER 5 -7.020 10.838 -14.198 18 HA SER 5 HA SER 5 -8.434 9.595 -11.902 19 1HB SER 5 1HB SER 5 -8.567 7.608 -13.340 20 2HB SER 5 2HB SER 5 -9.421 9.023 -13.975 21 HG SER 5 HG SER 5 -7.844 9.369 -15.453 22 H SER 6 H SER 6 -5.271 10.425 -12.653 23 HA SER 6 HA SER 6 -4.356 8.672 -10.558 24 1HB SER 6 1HB SER 6 -4.054 7.440 -12.851 25 2HB SER 6 2HB SER 6 -2.768 8.628 -13.149 26 HG SER 6 HG SER 6 -2.192 6.546 -12.106 27 H GLY 7 H GLY 7 -1.670 9.318 -10.664 28 1HA GLY 7 1HA GLY 7 -0.085 11.041 -10.776 29 2HA GLY 7 2HA GLY 7 -1.343 12.188 -11.260 30 H GLU 8 H GLU 8 -1.000 10.004 -8.428 31 HA GLU 8 HA GLU 8 -1.457 12.344 -6.631 32 1HB GLU 8 1HB GLU 8 -2.799 9.647 -6.816 33 2HB GLU 8 2HB GLU 8 -2.697 10.488 -5.279 34 1HG GLU 8 1HG GLU 8 -4.488 11.643 -5.790 35 2HG GLU 8 2HG GLU 8 -3.522 12.534 -6.949 36 H VAL 9 H VAL 9 1.061 10.727 -7.444 37 HA VAL 9 HA VAL 9 2.114 9.413 -5.238 38 HB VAL 9 HB VAL 9 3.669 11.231 -7.128 39 1HG1 VAL 9 1HG1 VAL 9 4.323 8.622 -5.721 40 2HG1 VAL 9 2HG1 VAL 9 5.380 9.419 -6.911 41 3HG1 VAL 9 3HG1 VAL 9 4.992 10.228 -5.390 42 1HG2 VAL 9 1HG2 VAL 9 2.218 10.045 -8.647 43 2HG2 VAL 9 2HG2 VAL 9 3.800 9.265 -8.708 44 3HG2 VAL 9 3HG2 VAL 9 2.477 8.524 -7.777 45 H GLN 10 H GLN 10 2.244 12.875 -6.185 46 HA GLN 10 HA GLN 10 3.853 13.459 -3.834 47 1HB GLN 10 1HB GLN 10 2.987 15.278 -6.111 48 2HB GLN 10 2HB GLN 10 4.188 15.656 -4.875 49 1HG GLN 10 1HG GLN 10 4.368 13.471 -6.972 50 2HG GLN 10 2HG GLN 10 5.298 14.966 -6.938 51 1HE2 GLN 10 2HE2 GLN 10 6.296 12.179 -6.971 52 2HE2 GLN 10 1HE2 GLN 10 7.270 11.981 -5.520 53 H LYS 11 H LYS 11 0.610 13.445 -4.536 54 HA LYS 11 HA LYS 11 -0.331 15.577 -2.770 55 1HB LYS 11 1HB LYS 11 -1.527 12.894 -3.587 56 2HB LYS 11 2HB LYS 11 -2.351 14.042 -2.557 57 1HG LYS 11 1HG LYS 11 -1.817 15.707 -4.635 58 2HG LYS 11 2HG LYS 11 -1.838 14.152 -5.504 59 1HD LYS 11 1HD LYS 11 -4.063 13.673 -4.418 60 2HD LYS 11 2HD LYS 11 -4.025 15.285 -3.703 61 1HE LYS 11 1HE LYS 11 -4.022 16.227 -6.024 62 2HE LYS 11 2HE LYS 11 -4.119 14.572 -6.664 63 1HZ LYS 11 1HZ LYS 11 -6.069 15.868 -4.875 64 2HZ LYS 11 2HZ LYS 11 -6.169 14.305 -5.369 65 3HZ LYS 11 3HZ LYS 11 -6.334 15.529 -6.456 66 HA PRO 12 HA PRO 12 0.783 13.679 1.112 67 1HB PRO 12 1HB PRO 12 -1.370 14.251 2.748 68 2HB PRO 12 2HB PRO 12 -0.135 15.444 2.301 69 1HG PRO 12 1HG PRO 12 -2.862 14.985 1.142 70 2HG PRO 12 2HG PRO 12 -2.075 16.557 1.481 71 1HD PRO 12 1HD PRO 12 -2.212 15.467 -1.022 72 2HD PRO 12 2HD PRO 12 -0.824 16.449 -0.514 73 H LEU 13 H LEU 13 0.128 11.958 2.623 74 HA LEU 13 HA LEU 13 -1.240 9.753 1.509 75 1HB LEU 13 1HB LEU 13 0.475 9.698 3.155 76 2HB LEU 13 2HB LEU 13 -0.549 10.422 4.380 77 HG LEU 13 HG LEU 13 -1.299 7.769 3.029 78 1HD1 LEU 13 1HD1 LEU 13 0.016 6.583 4.591 79 2HD1 LEU 13 2HD1 LEU 13 0.210 7.982 5.664 80 3HD1 LEU 13 3HD1 LEU 13 1.105 7.928 4.172 81 1HD2 LEU 13 1HD2 LEU 13 -2.252 7.402 5.376 82 2HD2 LEU 13 2HD2 LEU 13 -3.056 8.713 4.492 83 3HD2 LEU 13 3HD2 LEU 13 -1.839 9.064 5.754 84 H HIS 14 H HIS 14 -2.374 12.468 3.577 85 HA HIS 14 HA HIS 14 -4.821 11.160 4.126 86 1HB HIS 14 1HB HIS 14 -5.578 13.237 5.138 87 2HB HIS 14 2HB HIS 14 -3.961 12.823 5.644 88 HD1 HIS 14 HD1 HIS 14 -5.770 15.380 3.368 89 HD2 HIS 14 HD2 HIS 14 -2.109 14.698 5.355 90 HE1 HIS 14 HE1 HIS 14 -4.399 17.504 3.122 91 H GLU 15 H GLU 15 -3.930 12.228 1.149 92 HA GLU 15 HA GLU 15 -6.704 12.958 0.291 93 1HB GLU 15 1HB GLU 15 -3.967 13.785 -0.751 94 2HB GLU 15 2HB GLU 15 -5.416 14.014 -1.708 95 1HG GLU 15 1HG GLU 15 -5.127 15.223 1.052 96 2HG GLU 15 2HG GLU 15 -4.579 16.031 -0.422 97 H GLN 16 H GLN 16 -4.841 10.295 0.480 98 HA GLN 16 HA GLN 16 -4.622 9.485 -2.279 99 1HB GLN 16 1HB GLN 16 -4.340 7.973 0.342 100 2HB GLN 16 2HB GLN 16 -3.970 7.266 -1.233 101 1HG GLN 16 1HG GLN 16 -2.657 9.714 -0.038 102 2HG GLN 16 2HG GLN 16 -1.936 8.110 -0.134 103 1HE2 GLN 16 2HE2 GLN 16 -1.235 10.917 -1.327 104 2HE2 GLN 16 1HE2 GLN 16 -0.933 10.500 -3.012 105 H LEU 17 H LEU 17 -5.359 7.213 -2.877 106 HA LEU 17 HA LEU 17 -8.319 7.189 -2.679 107 1HB LEU 17 1HB LEU 17 -7.989 5.727 -4.800 108 2HB LEU 17 2HB LEU 17 -8.129 7.426 -4.882 109 HG LEU 17 HG LEU 17 -5.518 5.822 -5.015 110 1HD1 LEU 17 1HD1 LEU 17 -7.010 7.236 -7.271 111 2HD1 LEU 17 2HD1 LEU 17 -7.031 5.509 -6.975 112 3HD1 LEU 17 3HD1 LEU 17 -5.510 6.297 -7.404 113 1HD2 LEU 17 1HD2 LEU 17 -5.957 8.809 -5.056 114 2HD2 LEU 17 2HD2 LEU 17 -4.768 8.135 -6.184 115 3HD2 LEU 17 3HD2 LEU 17 -4.579 7.861 -4.472 116 H TRP 18 H TRP 18 -5.413 5.140 -2.783 117 HA TRP 18 HA TRP 18 -6.788 2.704 -2.010 118 1HB TRP 18 1HB TRP 18 -4.404 1.893 -1.796 119 2HB TRP 18 2HB TRP 18 -4.980 2.363 -3.363 120 HD1 TRP 18 HD1 TRP 18 -3.420 3.965 -4.670 121 HE1 TRP 18 HE1 TRP 18 -1.435 5.435 -4.110 122 HE3 TRP 18 HE3 TRP 18 -3.363 3.442 0.459 123 HZ2 TRP 18 HZ2 TRP 18 -0.107 6.386 -1.825 124 HZ3 TRP 18 HZ3 TRP 18 -1.725 4.704 1.805 125 HH2 TRP 18 HH2 TRP 18 -0.067 6.138 0.742 126 H TYR 19 H TYR 19 -6.081 5.376 -0.206 127 HA TYR 19 HA TYR 19 -5.270 3.926 2.206 128 1HB TYR 19 1HB TYR 19 -4.329 6.123 1.853 129 2HB TYR 19 2HB TYR 19 -5.945 6.835 1.748 130 HD1 TYR 19 HD1 TYR 19 -5.671 8.405 3.544 131 HD2 TYR 19 HD2 TYR 19 -4.958 4.187 4.264 132 HE1 TYR 19 HE1 TYR 19 -5.675 8.814 5.956 133 HE2 TYR 19 HE2 TYR 19 -4.937 4.569 6.631 134 HH TYR 19 HH TYR 19 -5.508 7.849 8.086 135 H HIS 20 H HIS 20 -6.981 2.554 2.876 136 HA HIS 20 HA HIS 20 -9.756 3.469 2.662 137 1HB HIS 20 1HB HIS 20 -8.412 0.900 3.492 138 2HB HIS 20 2HB HIS 20 -10.047 1.286 4.049 139 HD1 HIS 20 HD1 HIS 20 -12.011 0.880 2.503 140 HD2 HIS 20 HD2 HIS 20 -8.233 0.907 0.669 141 HE1 HIS 20 HE1 HIS 20 -12.394 0.310 0.026 142 H GLY 21 H GLY 21 -7.346 4.006 5.128 143 1HA GLY 21 1HA GLY 21 -7.604 4.983 7.162 144 2HA GLY 21 2HA GLY 21 -9.345 4.638 7.131 145 H ALA 22 H ALA 22 -9.583 3.317 8.674 146 HA ALA 22 HA ALA 22 -7.601 1.199 9.413 147 1HB ALA 22 1HB ALA 22 -9.617 2.556 11.194 148 2HB ALA 22 2HB ALA 22 -8.189 1.582 11.644 149 3HB ALA 22 3HB ALA 22 -7.988 3.173 10.873 150 H ILE 23 H ILE 23 -8.581 -0.268 7.973 151 HA ILE 23 HA ILE 23 -11.223 -1.383 8.656 152 HB ILE 23 HB ILE 23 -11.516 -1.519 6.494 153 1HG1 ILE 23 1HG1 ILE 23 -9.091 -3.330 6.265 154 2HG1 ILE 23 2HG1 ILE 23 -10.800 -3.763 6.481 155 1HG2 ILE 23 1HG2 ILE 23 -8.616 -0.768 5.909 156 2HG2 ILE 23 2HG2 ILE 23 -10.027 -0.629 4.857 157 3HG2 ILE 23 3HG2 ILE 23 -9.925 0.398 6.265 158 1HD1 ILE 23 1HD1 ILE 23 -9.572 -2.604 3.986 159 2HD1 ILE 23 2HD1 ILE 23 -10.254 -4.210 4.233 160 3HD1 ILE 23 3HD1 ILE 23 -11.324 -2.794 4.264 161 HA PRO 24 HA PRO 24 -9.463 -5.158 10.428 162 1HB PRO 24 1HB PRO 24 -11.474 -6.981 9.879 163 2HB PRO 24 2HB PRO 24 -11.541 -5.786 11.203 164 1HG PRO 24 1HG PRO 24 -12.846 -5.748 8.503 165 2HG PRO 24 2HG PRO 24 -13.448 -5.117 10.071 166 1HD PRO 24 1HD PRO 24 -12.332 -3.600 7.999 167 2HD PRO 24 2HD PRO 24 -12.454 -3.073 9.686 168 H ARG 25 H ARG 25 -8.644 -7.365 9.741 169 HA ARG 25 HA ARG 25 -7.735 -7.235 7.048 170 1HB ARG 25 1HB ARG 25 -6.507 -9.156 7.427 171 2HB ARG 25 2HB ARG 25 -6.727 -8.614 9.083 172 1HG ARG 25 1HG ARG 25 -8.726 -10.157 9.232 173 2HG ARG 25 2HG ARG 25 -8.356 -10.717 7.596 174 1HD ARG 25 1HD ARG 25 -6.076 -11.394 8.450 175 2HD ARG 25 2HD ARG 25 -6.752 -11.276 10.078 176 HE ARG 25 HE ARG 25 -7.191 -13.283 8.094 177 1HH1 ARG 25 2HH1 ARG 25 -8.902 -11.647 10.766 178 2HH1 ARG 25 1HH1 ARG 25 -10.319 -12.627 10.654 179 1HH2 ARG 25 2HH2 ARG 25 -9.217 -14.421 7.844 180 2HH2 ARG 25 1HH2 ARG 25 -10.358 -14.459 9.161 181 H ALA 26 H ALA 26 -10.709 -8.767 8.293 182 HA ALA 26 HA ALA 26 -10.840 -10.661 6.175 183 1HB ALA 26 1HB ALA 26 -13.073 -9.485 7.880 184 2HB ALA 26 2HB ALA 26 -13.238 -10.891 6.805 185 3HB ALA 26 3HB ALA 26 -12.132 -10.973 8.185 186 H GLU 27 H GLU 27 -12.025 -7.349 6.443 187 HA GLU 27 HA GLU 27 -13.648 -7.228 4.120 188 1HB GLU 27 1HB GLU 27 -12.213 -5.253 5.891 189 2HB GLU 27 2HB GLU 27 -12.918 -4.676 4.369 190 1HG GLU 27 1HG GLU 27 -15.080 -5.882 5.175 191 2HG GLU 27 2HG GLU 27 -14.282 -5.908 6.750 192 H VAL 28 H VAL 28 -10.148 -7.019 4.491 193 HA VAL 28 HA VAL 28 -9.393 -5.773 2.154 194 HB VAL 28 HB VAL 28 -8.152 -8.192 3.498 195 1HG1 VAL 28 1HG1 VAL 28 -6.093 -7.693 2.484 196 2HG1 VAL 28 2HG1 VAL 28 -7.265 -8.017 1.228 197 3HG1 VAL 28 3HG1 VAL 28 -6.782 -6.342 1.547 198 1HG2 VAL 28 1HG2 VAL 28 -6.664 -6.553 4.594 199 2HG2 VAL 28 2HG2 VAL 28 -7.482 -5.220 3.748 200 3HG2 VAL 28 3HG2 VAL 28 -8.347 -6.165 4.969 201 H ALA 29 H ALA 29 -9.871 -9.358 2.391 202 HA ALA 29 HA ALA 29 -9.374 -9.660 -0.408 203 1HB ALA 29 1HB ALA 29 -9.718 -11.914 -0.113 204 2HB ALA 29 2HB ALA 29 -9.327 -11.407 1.559 205 3HB ALA 29 3HB ALA 29 -11.014 -11.682 1.098 206 H GLU 30 H GLU 30 -12.158 -8.560 1.150 207 HA GLU 30 HA GLU 30 -14.085 -9.384 -0.875 208 1HB GLU 30 1HB GLU 30 -15.303 -9.095 0.993 209 2HB GLU 30 2HB GLU 30 -14.122 -8.090 1.774 210 1HG GLU 30 1HG GLU 30 -14.914 -6.103 0.551 211 2HG GLU 30 2HG GLU 30 -16.061 -7.104 -0.347 212 H LEU 31 H LEU 31 -11.984 -6.610 -0.059 213 HA LEU 31 HA LEU 31 -12.992 -4.819 -2.082 214 1HB LEU 31 1HB LEU 31 -10.284 -4.892 -0.661 215 2HB LEU 31 2HB LEU 31 -10.893 -3.590 -1.631 216 HG LEU 31 HG LEU 31 -12.204 -4.506 0.959 217 1HD1 LEU 31 1HD1 LEU 31 -9.978 -3.701 1.473 218 2HD1 LEU 31 2HD1 LEU 31 -11.145 -2.448 1.922 219 3HD1 LEU 31 3HD1 LEU 31 -10.202 -2.272 0.438 220 1HD2 LEU 31 1HD2 LEU 31 -13.262 -2.278 0.890 221 2HD2 LEU 31 2HD2 LEU 31 -13.717 -3.257 -0.517 222 3HD2 LEU 31 3HD2 LEU 31 -12.488 -1.966 -0.692 223 H LEU 32 H LEU 32 -10.204 -7.045 -1.802 224 HA LEU 32 HA LEU 32 -9.165 -6.195 -4.375 225 1HB LEU 32 1HB LEU 32 -8.189 -8.663 -2.934 226 2HB LEU 32 2HB LEU 32 -7.310 -7.585 -3.989 227 HG LEU 32 HG LEU 32 -8.158 -7.130 -1.142 228 1HD1 LEU 32 1HD1 LEU 32 -6.150 -8.461 -1.337 229 2HD1 LEU 32 2HD1 LEU 32 -5.836 -6.884 -0.584 230 3HD1 LEU 32 3HD1 LEU 32 -5.410 -7.134 -2.273 231 1HD2 LEU 32 1HD2 LEU 32 -7.972 -5.063 -2.987 232 2HD2 LEU 32 2HD2 LEU 32 -6.424 -5.003 -2.154 233 3HD2 LEU 32 3HD2 LEU 32 -7.965 -4.945 -1.243 234 H VAL 33 H VAL 33 -8.769 -7.599 -6.174 235 HA VAL 33 HA VAL 33 -10.865 -9.653 -6.632 236 HB VAL 33 HB VAL 33 -10.502 -7.256 -8.476 237 1HG1 VAL 33 1HG1 VAL 33 -12.669 -7.929 -9.359 238 2HG1 VAL 33 2HG1 VAL 33 -11.596 -9.327 -9.368 239 3HG1 VAL 33 3HG1 VAL 33 -12.830 -9.189 -8.103 240 1HG2 VAL 33 1HG2 VAL 33 -11.285 -6.167 -6.515 241 2HG2 VAL 33 2HG2 VAL 33 -12.740 -6.436 -7.498 242 3HG2 VAL 33 3HG2 VAL 33 -12.391 -7.486 -6.119 243 H HIS 34 H HIS 34 -7.988 -7.874 -7.865 244 HA HIS 34 HA HIS 34 -7.229 -10.338 -9.384 245 1HB HIS 34 1HB HIS 34 -6.938 -7.425 -10.188 246 2HB HIS 34 2HB HIS 34 -6.332 -8.813 -11.101 247 HD1 HIS 34 HD1 HIS 34 -8.689 -10.752 -11.242 248 HD2 HIS 34 HD2 HIS 34 -9.161 -6.560 -11.272 249 HE1 HIS 34 HE1 HIS 34 -10.994 -10.295 -12.223 250 H SER 35 H SER 35 -4.877 -10.627 -9.655 251 HA SER 35 HA SER 35 -3.523 -10.119 -7.202 252 1HB SER 35 1HB SER 35 -1.469 -10.839 -8.461 253 2HB SER 35 2HB SER 35 -2.799 -12.006 -8.425 254 HG SER 35 HG SER 35 -1.541 -11.188 -10.505 255 H GLY 36 H GLY 36 -2.198 -8.524 -6.562 256 1HA GLY 36 1HA GLY 36 -0.761 -6.655 -6.883 257 2HA GLY 36 2HA GLY 36 -1.554 -6.340 -8.442 258 H ASP 37 H ASP 37 -4.288 -6.876 -6.857 259 HA ASP 37 HA ASP 37 -4.954 -4.131 -6.403 260 1HB ASP 37 1HB ASP 37 -6.211 -6.768 -5.674 261 2HB ASP 37 2HB ASP 37 -6.697 -5.317 -4.821 262 H PHE 38 H PHE 38 -4.481 -2.855 -4.681 263 HA PHE 38 HA PHE 38 -3.733 -4.079 -2.108 264 1HB PHE 38 1HB PHE 38 -1.802 -2.571 -1.928 265 2HB PHE 38 2HB PHE 38 -1.612 -3.642 -3.301 266 HD1 PHE 38 HD1 PHE 38 -0.904 -2.797 -5.322 267 HD2 PHE 38 HD2 PHE 38 -2.837 -0.120 -2.538 268 HE1 PHE 38 HE1 PHE 38 -0.468 -0.874 -6.834 269 HE2 PHE 38 HE2 PHE 38 -2.249 1.770 -3.950 270 HZ PHE 38 HZ PHE 38 -1.167 1.437 -6.120 271 H LEU 39 H LEU 39 -3.939 -2.699 -0.266 272 HA LEU 39 HA LEU 39 -4.812 0.039 -0.663 273 1HB LEU 39 1HB LEU 39 -6.496 -0.163 1.029 274 2HB LEU 39 2HB LEU 39 -6.916 -1.165 -0.336 275 HG LEU 39 HG LEU 39 -5.339 -2.635 1.724 276 1HD1 LEU 39 1HD1 LEU 39 -7.039 -2.735 3.415 277 2HD1 LEU 39 2HD1 LEU 39 -8.027 -1.539 2.530 278 3HD1 LEU 39 3HD1 LEU 39 -6.446 -1.075 3.200 279 1HD2 LEU 39 1HD2 LEU 39 -6.401 -3.883 0.039 280 2HD2 LEU 39 2HD2 LEU 39 -7.970 -3.093 0.315 281 3HD2 LEU 39 3HD2 LEU 39 -7.310 -4.194 1.533 282 H VAL 40 H VAL 40 -4.535 1.162 1.463 283 HA VAL 40 HA VAL 40 -2.603 -0.170 3.308 284 HB VAL 40 HB VAL 40 -2.962 2.815 2.781 285 1HG1 VAL 40 1HG1 VAL 40 -1.345 1.296 4.864 286 2HG1 VAL 40 2HG1 VAL 40 -1.041 2.995 4.430 287 3HG1 VAL 40 3HG1 VAL 40 -2.597 2.545 5.150 288 1HG2 VAL 40 1HG2 VAL 40 -1.533 1.833 1.094 289 2HG2 VAL 40 2HG2 VAL 40 -0.486 2.653 2.237 290 3HG2 VAL 40 3HG2 VAL 40 -0.639 0.884 2.302 291 H ARG 41 H ARG 41 -3.485 -0.657 5.182 292 HA ARG 41 HA ARG 41 -5.968 0.724 6.014 293 1HB ARG 41 1HB ARG 41 -6.636 -1.260 7.277 294 2HB ARG 41 2HB ARG 41 -6.428 -1.666 5.567 295 1HG ARG 41 1HG ARG 41 -4.118 -2.468 6.117 296 2HG ARG 41 2HG ARG 41 -4.453 -2.251 7.842 297 1HD ARG 41 1HD ARG 41 -6.200 -3.946 6.038 298 2HD ARG 41 2HD ARG 41 -4.674 -4.561 6.716 299 HE ARG 41 HE ARG 41 -6.918 -3.473 8.377 300 1HH1 ARG 41 2HH1 ARG 41 -4.653 -6.180 7.853 301 2HH1 ARG 41 1HH1 ARG 41 -5.004 -6.884 9.403 302 1HH2 ARG 41 2HH2 ARG 41 -7.212 -4.311 10.378 303 2HH2 ARG 41 1HH2 ARG 41 -6.727 -5.930 10.762 304 H GLU 42 H GLU 42 -6.049 1.069 8.343 305 HA GLU 42 HA GLU 42 -3.398 1.203 9.684 306 1HB GLU 42 1HB GLU 42 -5.152 3.186 9.494 307 2HB GLU 42 2HB GLU 42 -5.913 2.342 10.850 308 1HG GLU 42 1HG GLU 42 -3.654 2.432 12.026 309 2HG GLU 42 2HG GLU 42 -3.049 3.386 10.693 310 H SER 43 H SER 43 -3.357 0.620 11.912 311 HA SER 43 HA SER 43 -4.017 -2.054 12.489 312 1HB SER 43 1HB SER 43 -2.075 -0.545 13.189 313 2HB SER 43 2HB SER 43 -3.155 0.159 14.411 314 HG SER 43 HG SER 43 -1.822 -2.242 14.239 315 H GLN 44 H GLN 44 -4.668 -2.088 15.085 316 HA GLN 44 HA GLN 44 -7.552 -2.002 15.092 317 1HB GLN 44 1HB GLN 44 -7.342 -3.210 17.163 318 2HB GLN 44 2HB GLN 44 -6.166 -3.845 16.022 319 1HG GLN 44 1HG GLN 44 -4.389 -2.471 17.159 320 2HG GLN 44 2HG GLN 44 -5.586 -1.982 18.360 321 1HE2 GLN 44 2HE2 GLN 44 -3.032 -3.951 18.161 322 2HE2 GLN 44 1HE2 GLN 44 -3.577 -5.224 19.237 323 H GLY 45 H GLY 45 -5.730 0.653 15.404 324 1HA GLY 45 1HA GLY 45 -6.900 2.658 16.234 325 2HA GLY 45 2HA GLY 45 -7.125 1.816 17.773 326 H LYS 46 H LYS 46 -4.227 1.873 15.628 327 HA LYS 46 HA LYS 46 -2.657 3.358 17.646 328 1HB LYS 46 1HB LYS 46 -1.731 0.691 16.480 329 2HB LYS 46 2HB LYS 46 -0.851 1.691 17.628 330 1HG LYS 46 1HG LYS 46 -3.452 0.198 18.177 331 2HG LYS 46 2HG LYS 46 -1.858 -0.329 18.661 332 1HD LYS 46 1HD LYS 46 -1.726 1.112 20.445 333 2HD LYS 46 2HD LYS 46 -2.596 2.403 19.613 334 1HE LYS 46 1HE LYS 46 -4.698 0.936 19.829 335 2HE LYS 46 2HE LYS 46 -3.783 -0.043 20.981 336 1HZ LYS 46 1HZ LYS 46 -4.278 2.872 21.242 337 2HZ LYS 46 2HZ LYS 46 -3.574 1.903 22.377 338 3HZ LYS 46 3HZ LYS 46 -5.166 1.733 21.982 339 H GLN 47 H GLN 47 -0.494 3.993 16.640 340 HA GLN 47 HA GLN 47 -1.035 5.110 14.022 341 1HB GLN 47 1HB GLN 47 1.355 5.246 15.899 342 2HB GLN 47 2HB GLN 47 1.247 6.151 14.383 343 1HG GLN 47 1HG GLN 47 -0.867 7.213 15.197 344 2HG GLN 47 2HG GLN 47 -0.580 6.468 16.766 345 1HE2 GLN 47 2HE2 GLN 47 -0.286 9.407 15.273 346 2HE2 GLN 47 1HE2 GLN 47 1.131 9.976 16.123 347 H GLU 48 H GLU 48 -0.871 2.166 13.789 348 HA GLU 48 HA GLU 48 1.610 1.798 12.238 349 1HB GLU 48 1HB GLU 48 1.665 0.300 14.014 350 2HB GLU 48 2HB GLU 48 -0.092 0.157 14.114 351 1HG GLU 48 1HG GLU 48 0.051 -1.170 11.902 352 2HG GLU 48 2HG GLU 48 1.790 -1.212 12.218 353 H TYR 49 H TYR 49 1.325 1.334 10.141 354 HA TYR 49 HA TYR 49 -1.443 0.831 9.145 355 1HB TYR 49 1HB TYR 49 0.952 1.996 7.704 356 2HB TYR 49 2HB TYR 49 -0.538 1.470 6.920 357 HD1 TYR 49 HD1 TYR 49 1.134 4.307 7.732 358 HD2 TYR 49 HD2 TYR 49 -2.747 2.550 8.190 359 HE1 TYR 49 HE1 TYR 49 0.152 6.542 7.795 360 HE2 TYR 49 HE2 TYR 49 -3.752 4.800 8.431 361 HH TYR 49 HH TYR 49 -3.409 7.037 8.200 362 H VAL 50 H VAL 50 -1.644 -0.718 7.452 363 HA VAL 50 HA VAL 50 0.441 -2.830 7.315 364 HB VAL 50 HB VAL 50 -2.549 -3.097 7.709 365 1HG1 VAL 50 1HG1 VAL 50 -2.212 -5.559 7.694 366 2HG1 VAL 50 2HG1 VAL 50 -1.837 -4.836 6.137 367 3HG1 VAL 50 3HG1 VAL 50 -0.516 -5.306 7.224 368 1HG2 VAL 50 1HG2 VAL 50 -0.442 -4.264 9.473 369 2HG2 VAL 50 2HG2 VAL 50 -1.241 -2.702 9.834 370 3HG2 VAL 50 3HG2 VAL 50 -2.184 -4.193 9.771 371 H LEU 51 H LEU 51 0.881 -3.294 5.247 372 HA LEU 51 HA LEU 51 -0.746 -2.252 3.040 373 1HB LEU 51 1HB LEU 51 1.902 -2.588 3.048 374 2HB LEU 51 2HB LEU 51 1.545 -4.292 2.932 375 HG LEU 51 HG LEU 51 -0.026 -3.530 0.900 376 1HD1 LEU 51 1HD1 LEU 51 2.009 -1.272 1.131 377 2HD1 LEU 51 2HD1 LEU 51 0.256 -1.121 1.279 378 3HD1 LEU 51 3HD1 LEU 51 0.982 -1.587 -0.274 379 1HD2 LEU 51 1HD2 LEU 51 1.958 -5.015 0.725 380 2HD2 LEU 51 2HD2 LEU 51 2.982 -3.588 0.566 381 3HD2 LEU 51 3HD2 LEU 51 1.747 -3.931 -0.664 382 H SER 52 H SER 52 -2.358 -3.411 2.121 383 HA SER 52 HA SER 52 -2.421 -6.352 2.641 384 1HB SER 52 1HB SER 52 -4.902 -4.629 2.485 385 2HB SER 52 2HB SER 52 -4.701 -6.288 3.075 386 HG SER 52 HG SER 52 -3.558 -3.994 4.255 387 H VAL 53 H VAL 53 -1.848 -7.160 0.687 388 HA VAL 53 HA VAL 53 -2.998 -6.038 -1.765 389 HB VAL 53 HB VAL 53 -0.801 -5.123 -1.605 390 1HG1 VAL 53 1HG1 VAL 53 0.260 -7.915 -1.057 391 2HG1 VAL 53 2HG1 VAL 53 1.235 -6.451 -1.334 392 3HG1 VAL 53 3HG1 VAL 53 0.212 -6.557 0.092 393 1HG2 VAL 53 1HG2 VAL 53 -0.560 -7.506 -3.492 394 2HG2 VAL 53 2HG2 VAL 53 -1.385 -5.982 -3.865 395 3HG2 VAL 53 3HG2 VAL 53 0.353 -5.990 -3.563 396 H LEU 54 H LEU 54 -3.495 -7.593 -3.347 397 HA LEU 54 HA LEU 54 -3.802 -10.380 -2.376 398 1HB LEU 54 1HB LEU 54 -5.603 -8.954 -3.602 399 2HB LEU 54 2HB LEU 54 -4.736 -9.302 -5.061 400 HG LEU 54 HG LEU 54 -6.304 -11.063 -5.015 401 1HD1 LEU 54 1HD1 LEU 54 -4.158 -12.104 -5.172 402 2HD1 LEU 54 2HD1 LEU 54 -5.465 -13.055 -4.472 403 3HD1 LEU 54 3HD1 LEU 54 -4.220 -12.402 -3.399 404 1HD2 LEU 54 1HD2 LEU 54 -6.883 -12.198 -2.768 405 2HD2 LEU 54 2HD2 LEU 54 -7.562 -10.636 -3.218 406 3HD2 LEU 54 3HD2 LEU 54 -6.206 -10.724 -2.060 407 H TRP 55 H TRP 55 -2.126 -11.841 -2.883 408 HA TRP 55 HA TRP 55 -0.896 -11.499 -5.550 409 1HB TRP 55 1HB TRP 55 0.599 -10.794 -3.514 410 2HB TRP 55 2HB TRP 55 0.731 -12.527 -3.241 411 HD1 TRP 55 HD1 TRP 55 3.003 -13.266 -4.269 412 HE1 TRP 55 HE1 TRP 55 4.330 -12.807 -6.401 413 HE3 TRP 55 HE3 TRP 55 0.011 -9.647 -6.351 414 HZ2 TRP 55 HZ2 TRP 55 4.356 -10.703 -8.491 415 HZ3 TRP 55 HZ3 TRP 55 0.653 -8.567 -8.476 416 HH2 TRP 55 HH2 TRP 55 2.826 -9.131 -9.558 417 H ASP 56 H ASP 56 -1.254 -13.210 -6.748 418 HA ASP 56 HA ASP 56 -2.224 -15.116 -7.401 419 1HB ASP 56 1HB ASP 56 0.170 -15.580 -7.068 420 2HB ASP 56 2HB ASP 56 -0.178 -16.240 -5.478 421 H GLY 57 H GLY 57 -4.221 -14.257 -6.018 422 1HA GLY 57 1HA GLY 57 -6.135 -14.981 -5.149 423 2HA GLY 57 2HA GLY 57 -5.521 -16.595 -5.150 424 H LEU 58 H LEU 58 -3.453 -14.570 -3.417 425 HA LEU 58 HA LEU 58 -4.717 -15.278 -0.824 426 1HB LEU 58 1HB LEU 58 -2.812 -16.720 -1.546 427 2HB LEU 58 2HB LEU 58 -1.751 -15.331 -1.280 428 HG LEU 58 HG LEU 58 -3.622 -16.523 0.820 429 1HD1 LEU 58 1HD1 LEU 58 -0.643 -16.947 0.420 430 2HD1 LEU 58 2HD1 LEU 58 -1.919 -18.148 0.124 431 3HD1 LEU 58 3HD1 LEU 58 -1.612 -17.579 1.768 432 1HD2 LEU 58 1HD2 LEU 58 -1.952 -15.290 2.380 433 2HD2 LEU 58 2HD2 LEU 58 -3.167 -14.344 1.558 434 3HD2 LEU 58 3HD2 LEU 58 -1.500 -14.358 0.940 435 HA PRO 59 HA PRO 59 -4.093 -10.709 -0.397 436 1HB PRO 59 1HB PRO 59 -5.747 -10.445 1.783 437 2HB PRO 59 2HB PRO 59 -6.341 -10.472 0.102 438 1HG PRO 59 1HG PRO 59 -6.191 -12.712 2.089 439 2HG PRO 59 2HG PRO 59 -7.540 -12.324 0.984 440 1HD PRO 59 1HD PRO 59 -5.739 -14.278 0.552 441 2HD PRO 59 2HD PRO 59 -6.494 -13.367 -0.796 442 H ARG 60 H ARG 60 -1.950 -10.765 0.186 443 HA ARG 60 HA ARG 60 -1.002 -11.860 2.740 444 1HB ARG 60 1HB ARG 60 0.265 -9.917 0.763 445 2HB ARG 60 2HB ARG 60 1.123 -10.792 2.026 446 1HG ARG 60 1HG ARG 60 -0.307 -12.239 -0.259 447 2HG ARG 60 2HG ARG 60 1.333 -11.661 -0.384 448 1HD ARG 60 1HD ARG 60 2.039 -13.010 1.522 449 2HD ARG 60 2HD ARG 60 0.370 -13.480 1.869 450 HE ARG 60 HE ARG 60 0.817 -14.328 -0.746 451 1HH1 ARG 60 2HH1 ARG 60 2.088 -15.070 2.544 452 2HH1 ARG 60 1HH1 ARG 60 2.934 -16.472 1.938 453 1HH2 ARG 60 2HH2 ARG 60 1.538 -16.411 -1.275 454 2HH2 ARG 60 1HH2 ARG 60 2.204 -17.463 -0.052 455 H HIS 61 H HIS 61 -0.072 -10.461 4.449 456 HA HIS 61 HA HIS 61 -0.897 -7.637 4.394 457 1HB HIS 61 1HB HIS 61 -1.469 -7.990 6.911 458 2HB HIS 61 2HB HIS 61 -2.653 -8.242 5.643 459 HD1 HIS 61 HD1 HIS 61 -1.124 -10.110 8.541 460 HD2 HIS 61 HD2 HIS 61 -3.277 -10.836 4.975 461 HE1 HIS 61 HE1 HIS 61 -1.997 -12.453 8.706 462 H PHE 62 H PHE 62 0.980 -6.617 4.387 463 HA PHE 62 HA PHE 62 3.221 -7.579 6.117 464 1HB PHE 62 1HB PHE 62 3.509 -5.864 3.622 465 2HB PHE 62 2HB PHE 62 4.768 -6.587 4.594 466 HD1 PHE 62 HD1 PHE 62 5.288 -9.075 4.341 467 HD2 PHE 62 HD2 PHE 62 2.335 -7.075 1.912 468 HE1 PHE 62 HE1 PHE 62 5.341 -10.945 2.739 469 HE2 PHE 62 HE2 PHE 62 2.400 -8.924 0.312 470 HZ PHE 62 HZ PHE 62 3.854 -10.927 0.716 471 H ILE 63 H ILE 63 3.557 -6.155 7.843 472 HA ILE 63 HA ILE 63 2.051 -3.745 8.190 473 HB ILE 63 HB ILE 63 4.486 -4.927 9.502 474 1HG1 ILE 63 1HG1 ILE 63 1.975 -5.595 9.858 475 2HG1 ILE 63 2HG1 ILE 63 3.039 -5.431 11.239 476 1HG2 ILE 63 1HG2 ILE 63 3.440 -2.114 10.029 477 2HG2 ILE 63 2HG2 ILE 63 4.365 -3.045 11.225 478 3HG2 ILE 63 3HG2 ILE 63 5.103 -2.627 9.688 479 1HD1 ILE 63 1HD1 ILE 63 2.109 -3.351 11.873 480 2HD1 ILE 63 2HD1 ILE 63 1.234 -3.123 10.354 481 3HD1 ILE 63 3HD1 ILE 63 0.716 -4.365 11.492 482 H ILE 64 H ILE 64 2.407 -1.648 7.610 483 HA ILE 64 HA ILE 64 4.163 -1.148 5.416 484 HB ILE 64 HB ILE 64 2.712 0.742 7.285 485 1HG1 ILE 64 1HG1 ILE 64 1.280 -0.675 5.804 486 2HG1 ILE 64 2HG1 ILE 64 1.101 1.049 5.550 487 1HG2 ILE 64 1HG2 ILE 64 3.072 2.483 5.484 488 2HG2 ILE 64 2HG2 ILE 64 4.490 2.075 6.437 489 3HG2 ILE 64 3HG2 ILE 64 4.323 1.415 4.795 490 1HD1 ILE 64 1HD1 ILE 64 2.789 -0.678 3.740 491 2HD1 ILE 64 2HD1 ILE 64 1.077 -0.272 3.472 492 3HD1 ILE 64 3HD1 ILE 64 2.292 1.012 3.488 493 H GLN 65 H GLN 65 5.985 -0.281 5.355 494 HA GLN 65 HA GLN 65 8.034 -0.801 7.198 495 1HB GLN 65 1HB GLN 65 8.117 1.411 5.114 496 2HB GLN 65 2HB GLN 65 9.453 0.421 5.657 497 1HG GLN 65 1HG GLN 65 8.876 -0.668 3.588 498 2HG GLN 65 2HG GLN 65 7.810 -1.543 4.650 499 1HE2 GLN 65 2HE2 GLN 65 8.034 1.302 2.414 500 2HE2 GLN 65 1HE2 GLN 65 6.327 1.365 2.111 501 H SER 66 H SER 66 9.608 0.824 8.059 502 HA SER 66 HA SER 66 8.830 3.410 8.860 503 1HB SER 66 1HB SER 66 8.404 2.618 11.201 504 2HB SER 66 2HB SER 66 7.117 2.266 10.060 505 HG SER 66 HG SER 66 7.455 0.389 11.265 506 H LEU 67 H LEU 67 10.703 4.275 9.510 507 HA LEU 67 HA LEU 67 12.608 2.618 10.998 508 1HB LEU 67 1HB LEU 67 14.574 3.799 9.963 509 2HB LEU 67 2HB LEU 67 13.871 2.449 9.109 510 HG LEU 67 HG LEU 67 12.946 5.224 8.326 511 1HD1 LEU 67 1HD1 LEU 67 15.385 5.490 8.408 512 2HD1 LEU 67 2HD1 LEU 67 14.924 5.263 6.704 513 3HD1 LEU 67 3HD1 LEU 67 15.621 3.923 7.608 514 1HD2 LEU 67 1HD2 LEU 67 13.012 4.103 6.036 515 2HD2 LEU 67 2HD2 LEU 67 11.866 3.384 7.176 516 3HD2 LEU 67 3HD2 LEU 67 13.439 2.615 6.904 517 H ASP 68 H ASP 68 12.412 5.988 9.790 518 HA ASP 68 HA ASP 68 12.581 7.007 12.604 519 1HB ASP 68 1HB ASP 68 14.263 7.785 10.184 520 2HB ASP 68 2HB ASP 68 14.061 8.824 11.591 521 H ASN 69 H ASN 69 12.322 8.000 9.197 522 HA ASN 69 HA ASN 69 10.013 9.722 9.697 523 1HB ASN 69 1HB ASN 69 12.249 10.967 10.031 524 2HB ASN 69 2HB ASN 69 12.598 10.658 8.331 525 1HD2 ASN 69 2HD2 ASN 69 11.960 12.373 6.908 526 2HD2 ASN 69 1HD2 ASN 69 10.698 13.492 7.304 527 H LEU 70 H LEU 70 11.208 7.255 8.016 528 HA LEU 70 HA LEU 70 10.102 8.021 5.410 529 1HB LEU 70 1HB LEU 70 12.618 6.360 5.696 530 2HB LEU 70 2HB LEU 70 11.985 7.037 4.249 531 HG LEU 70 HG LEU 70 12.853 9.048 6.302 532 1HD1 LEU 70 1HD1 LEU 70 14.584 7.459 6.619 533 2HD1 LEU 70 2HD1 LEU 70 15.223 8.771 5.634 534 3HD1 LEU 70 3HD1 LEU 70 14.803 7.233 4.855 535 1HD2 LEU 70 1HD2 LEU 70 13.718 10.197 4.330 536 2HD2 LEU 70 2HD2 LEU 70 12.026 9.756 4.125 537 3HD2 LEU 70 3HD2 LEU 70 13.295 8.810 3.302 538 H TYR 71 H TYR 71 10.074 5.883 4.056 539 HA TYR 71 HA TYR 71 9.302 3.540 5.761 540 1HB TYR 71 1HB TYR 71 7.820 4.592 3.279 541 2HB TYR 71 2HB TYR 71 7.299 3.321 4.382 542 HD1 TYR 71 HD1 TYR 71 7.600 6.970 3.840 543 HD2 TYR 71 HD2 TYR 71 6.379 3.926 6.594 544 HE1 TYR 71 HE1 TYR 71 6.633 8.708 5.339 545 HE2 TYR 71 HE2 TYR 71 5.468 5.559 8.109 546 HH TYR 71 HH TYR 71 5.064 7.849 8.466 547 H ARG 72 H ARG 72 10.623 1.777 4.882 548 HA ARG 72 HA ARG 72 11.477 1.928 2.041 549 1HB ARG 72 1HB ARG 72 13.703 1.236 2.602 550 2HB ARG 72 2HB ARG 72 13.328 2.749 3.417 551 1HG ARG 72 1HG ARG 72 14.429 1.681 5.098 552 2HG ARG 72 2HG ARG 72 12.781 1.167 5.452 553 1HD ARG 72 1HD ARG 72 13.566 -0.872 5.541 554 2HD ARG 72 2HD ARG 72 13.662 -0.864 3.772 555 HE ARG 72 HE ARG 72 16.036 0.241 4.491 556 1HH1 ARG 72 2HH1 ARG 72 14.354 -2.764 5.379 557 2HH1 ARG 72 1HH1 ARG 72 15.766 -3.671 5.719 558 1HH2 ARG 72 2HH2 ARG 72 17.886 -0.763 5.323 559 2HH2 ARG 72 1HH2 ARG 72 17.911 -2.471 5.692 560 H LEU 73 H LEU 73 11.039 0.009 1.004 561 HA LEU 73 HA LEU 73 10.307 -2.297 2.763 562 1HB LEU 73 1HB LEU 73 8.584 -1.158 1.196 563 2HB LEU 73 2HB LEU 73 9.422 -1.984 -0.117 564 HG LEU 73 HG LEU 73 8.950 -4.150 0.740 565 1HD1 LEU 73 1HD1 LEU 73 7.456 -4.615 2.590 566 2HD1 LEU 73 2HD1 LEU 73 7.219 -2.899 2.922 567 3HD1 LEU 73 3HD1 LEU 73 8.785 -3.677 3.273 568 1HD2 LEU 73 1HD2 LEU 73 6.631 -2.263 0.547 569 2HD2 LEU 73 2HD2 LEU 73 6.527 -4.033 0.434 570 3HD2 LEU 73 3HD2 LEU 73 7.518 -3.129 -0.739 571 H GLU 74 H GLU 74 12.368 -1.234 0.166 572 HA GLU 74 HA GLU 74 13.623 -3.917 0.189 573 1HB GLU 74 1HB GLU 74 12.117 -3.881 -1.631 574 2HB GLU 74 2HB GLU 74 12.790 -2.373 -2.281 575 1HG GLU 74 1HG GLU 74 14.886 -3.497 -2.814 576 2HG GLU 74 2HG GLU 74 14.415 -4.923 -1.875 577 H GLY 75 H GLY 75 14.089 -0.723 -1.472 578 1HA GLY 75 1HA GLY 75 16.982 -1.133 -1.218 579 2HA GLY 75 2HA GLY 75 16.131 -0.086 -2.342 580 H GLU 76 H GLU 76 15.293 1.892 -1.510 581 HA GLU 76 HA GLU 76 16.535 2.919 1.006 582 1HB GLU 76 1HB GLU 76 16.750 4.987 -0.003 583 2HB GLU 76 2HB GLU 76 17.348 3.805 -1.194 584 1HG GLU 76 1HG GLU 76 15.330 4.039 -2.487 585 2HG GLU 76 2HG GLU 76 14.614 5.151 -1.306 586 H GLY 77 H GLY 77 15.211 5.046 1.671 587 1HA GLY 77 1HA GLY 77 12.343 4.303 1.690 588 2HA GLY 77 2HA GLY 77 13.188 5.111 3.024 589 H PHE 78 H PHE 78 10.839 6.035 1.918 590 HA PHE 78 HA PHE 78 11.672 8.635 0.692 591 1HB PHE 78 1HB PHE 78 9.308 6.854 0.046 592 2HB PHE 78 2HB PHE 78 9.119 8.578 -0.077 593 HD1 PHE 78 HD1 PHE 78 10.805 5.669 -1.503 594 HD2 PHE 78 HD2 PHE 78 10.351 9.940 -1.779 595 HE1 PHE 78 HE1 PHE 78 11.754 5.634 -3.799 596 HE2 PHE 78 HE2 PHE 78 11.396 9.914 -4.010 597 HZ PHE 78 HZ PHE 78 12.095 7.756 -5.037 598 HA PRO 79 HA PRO 79 9.925 10.422 4.307 599 1HB PRO 79 1HB PRO 79 8.947 12.854 3.381 600 2HB PRO 79 2HB PRO 79 10.705 12.468 3.506 601 1HG PRO 79 1HG PRO 79 8.828 12.253 1.154 602 2HG PRO 79 2HG PRO 79 10.436 13.045 1.187 603 1HD PRO 79 1HD PRO 79 10.132 10.540 0.236 604 2HD PRO 79 2HD PRO 79 11.558 10.941 1.247 605 H SER 80 H SER 80 7.757 9.475 1.790 606 HA SER 80 HA SER 80 5.389 9.791 3.555 607 1HB SER 80 1HB SER 80 5.389 10.383 0.614 608 2HB SER 80 2HB SER 80 4.120 10.715 1.717 609 HG SER 80 HG SER 80 6.617 11.927 2.130 610 H ILE 81 H ILE 81 3.909 8.169 3.158 611 HA ILE 81 HA ILE 81 4.909 5.669 2.092 612 HB ILE 81 HB ILE 81 2.154 6.536 3.078 613 1HG1 ILE 81 1HG1 ILE 81 4.136 4.525 4.232 614 2HG1 ILE 81 2HG1 ILE 81 4.183 6.223 4.661 615 1HG2 ILE 81 1HG2 ILE 81 1.816 4.801 1.344 616 2HG2 ILE 81 2HG2 ILE 81 2.945 3.737 2.181 617 3HG2 ILE 81 3HG2 ILE 81 1.422 4.211 2.952 618 1HD1 ILE 81 1HD1 ILE 81 2.065 6.151 5.731 619 2HD1 ILE 81 2HD1 ILE 81 1.743 4.495 5.154 620 3HD1 ILE 81 3HD1 ILE 81 3.042 4.808 6.315 621 HA PRO 82 HA PRO 82 1.875 6.655 -1.409 622 1HB PRO 82 1HB PRO 82 1.418 9.334 -2.134 623 2HB PRO 82 2HB PRO 82 0.365 8.334 -1.090 624 1HG PRO 82 1HG PRO 82 2.444 10.306 -0.219 625 2HG PRO 82 2HG PRO 82 0.821 10.035 0.459 626 1HD PRO 82 1HD PRO 82 2.902 9.067 1.649 627 2HD PRO 82 2HD PRO 82 1.451 8.087 1.571 628 H LEU 83 H LEU 83 4.619 8.735 -0.878 629 HA LEU 83 HA LEU 83 5.471 9.046 -3.586 630 1HB LEU 83 1HB LEU 83 6.720 9.399 -0.851 631 2HB LEU 83 2HB LEU 83 7.756 9.324 -2.251 632 HG LEU 83 HG LEU 83 6.427 11.148 -3.341 633 1HD1 LEU 83 1HD1 LEU 83 5.314 12.078 -0.735 634 2HD1 LEU 83 2HD1 LEU 83 4.380 10.892 -1.690 635 3HD1 LEU 83 3HD1 LEU 83 4.847 12.394 -2.397 636 1HD2 LEU 83 1HD2 LEU 83 8.580 11.557 -2.196 637 2HD2 LEU 83 2HD2 LEU 83 7.713 11.836 -0.657 638 3HD2 LEU 83 3HD2 LEU 83 7.490 12.927 -2.044 639 H LEU 84 H LEU 84 6.120 6.594 -1.075 640 HA LEU 84 HA LEU 84 8.125 5.270 -2.684 641 1HB LEU 84 1HB LEU 84 7.562 5.282 -0.052 642 2HB LEU 84 2HB LEU 84 6.550 3.896 -0.505 643 HG LEU 84 HG LEU 84 9.535 4.250 -0.433 644 1HD1 LEU 84 1HD1 LEU 84 8.187 3.194 1.383 645 2HD1 LEU 84 2HD1 LEU 84 9.468 2.142 0.734 646 3HD1 LEU 84 3HD1 LEU 84 7.768 1.887 0.252 647 1HD2 LEU 84 1HD2 LEU 84 9.958 2.117 -1.615 648 2HD2 LEU 84 2HD2 LEU 84 9.346 3.347 -2.706 649 3HD2 LEU 84 3HD2 LEU 84 8.268 2.058 -2.115 650 H ILE 85 H ILE 85 4.651 4.966 -2.283 651 HA ILE 85 HA ILE 85 4.259 2.414 -3.455 652 HB ILE 85 HB ILE 85 2.517 4.902 -3.731 653 1HG1 ILE 85 1HG1 ILE 85 2.776 4.186 -1.393 654 2HG1 ILE 85 2HG1 ILE 85 1.138 3.966 -1.974 655 1HG2 ILE 85 1HG2 ILE 85 1.939 2.020 -4.495 656 2HG2 ILE 85 2HG2 ILE 85 0.668 3.246 -4.240 657 3HG2 ILE 85 3HG2 ILE 85 1.865 3.456 -5.519 658 1HD1 ILE 85 1HD1 ILE 85 1.514 1.586 -2.241 659 2HD1 ILE 85 2HD1 ILE 85 3.208 1.741 -1.739 660 3HD1 ILE 85 3HD1 ILE 85 1.897 2.072 -0.582 661 H ASP 86 H ASP 86 4.680 5.593 -5.152 662 HA ASP 86 HA ASP 86 4.144 4.421 -7.678 663 1HB ASP 86 1HB ASP 86 4.238 6.901 -7.190 664 2HB ASP 86 2HB ASP 86 5.998 6.804 -7.257 665 H HIS 87 H HIS 87 7.189 4.803 -5.921 666 HA HIS 87 HA HIS 87 8.828 3.918 -8.128 667 1HB HIS 87 1HB HIS 87 9.675 5.339 -6.325 668 2HB HIS 87 2HB HIS 87 9.491 3.991 -5.177 669 HD1 HIS 87 HD1 HIS 87 11.985 5.564 -7.423 670 HD2 HIS 87 HD2 HIS 87 11.190 1.786 -5.723 671 HE1 HIS 87 HE1 HIS 87 14.160 4.240 -7.527 672 H LEU 88 H LEU 88 6.746 2.090 -5.897 673 HA LEU 88 HA LEU 88 8.241 -0.397 -6.581 674 1HB LEU 88 1HB LEU 88 5.962 0.377 -4.765 675 2HB LEU 88 2HB LEU 88 6.262 -1.288 -5.225 676 HG LEU 88 HG LEU 88 7.498 0.385 -3.246 677 1HD1 LEU 88 1HD1 LEU 88 6.583 -1.859 -2.933 678 2HD1 LEU 88 2HD1 LEU 88 8.311 -1.865 -2.469 679 3HD1 LEU 88 3HD1 LEU 88 7.811 -2.523 -4.046 680 1HD2 LEU 88 1HD2 LEU 88 9.631 -0.944 -4.936 681 2HD2 LEU 88 2HD2 LEU 88 9.848 -0.280 -3.325 682 3HD2 LEU 88 3HD2 LEU 88 9.435 0.808 -4.646 683 H LEU 89 H LEU 89 5.194 1.349 -7.094 684 HA LEU 89 HA LEU 89 3.895 -0.748 -8.524 685 1HB LEU 89 1HB LEU 89 3.090 1.476 -7.352 686 2HB LEU 89 2HB LEU 89 3.248 2.192 -8.951 687 HG LEU 89 HG LEU 89 1.720 -0.390 -8.454 688 1HD1 LEU 89 1HD1 LEU 89 0.906 1.198 -6.838 689 2HD1 LEU 89 2HD1 LEU 89 -0.307 0.946 -8.105 690 3HD1 LEU 89 3HD1 LEU 89 0.670 2.433 -8.098 691 1HD2 LEU 89 1HD2 LEU 89 0.325 0.295 -10.289 692 2HD2 LEU 89 2HD2 LEU 89 2.016 0.151 -10.796 693 3HD2 LEU 89 3HD2 LEU 89 1.296 1.770 -10.526 694 H SER 90 H SER 90 5.740 2.091 -9.591 695 HA SER 90 HA SER 90 5.212 1.580 -12.338 696 1HB SER 90 1HB SER 90 5.555 3.812 -11.142 697 2HB SER 90 2HB SER 90 7.282 3.428 -11.051 698 HG SER 90 HG SER 90 6.883 4.767 -12.718 699 H THR 91 H THR 91 7.541 0.323 -10.119 700 HA THR 91 HA THR 91 9.533 -0.336 -12.239 701 HB THR 91 HB THR 91 11.133 -0.554 -10.454 702 HG1 THR 91 HG1 THR 91 9.626 0.279 -8.397 703 1HG2 THR 91 1HG2 THR 91 10.738 1.780 -11.153 704 2HG2 THR 91 2HG2 THR 91 11.117 1.713 -9.416 705 3HG2 THR 91 3HG2 THR 91 9.456 1.958 -9.937 706 H GLN 92 H GLN 92 7.198 -1.622 -10.040 707 HA GLN 92 HA GLN 92 6.318 -3.726 -9.752 708 1HB GLN 92 1HB GLN 92 7.983 -4.624 -12.150 709 2HB GLN 92 2HB GLN 92 6.740 -5.565 -11.361 710 1HG GLN 92 1HG GLN 92 6.173 -2.865 -12.674 711 2HG GLN 92 2HG GLN 92 6.007 -4.432 -13.475 712 1HE2 GLN 92 2HE2 GLN 92 4.574 -2.275 -11.054 713 2HE2 GLN 92 1HE2 GLN 92 3.419 -3.387 -10.403 714 H GLN 93 H GLN 93 8.609 -2.730 -8.459 715 HA GLN 93 HA GLN 93 10.517 -4.833 -8.048 716 1HB GLN 93 1HB GLN 93 10.002 -2.158 -6.867 717 2HB GLN 93 2HB GLN 93 10.731 -3.315 -5.765 718 1HG GLN 93 1HG GLN 93 12.542 -3.807 -7.310 719 2HG GLN 93 2HG GLN 93 11.830 -2.725 -8.518 720 1HE2 GLN 93 2HE2 GLN 93 11.379 -0.477 -7.732 721 2HE2 GLN 93 1HE2 GLN 93 12.709 0.302 -6.887 722 HA PRO 94 HA PRO 94 8.207 -7.430 -5.419 723 1HB PRO 94 1HB PRO 94 10.162 -9.003 -4.294 724 2HB PRO 94 2HB PRO 94 9.720 -9.062 -6.025 725 1HG PRO 94 1HG PRO 94 11.951 -7.468 -4.686 726 2HG PRO 94 2HG PRO 94 12.105 -8.506 -6.124 727 1HD PRO 94 1HD PRO 94 11.788 -5.822 -6.387 728 2HD PRO 94 2HD PRO 94 10.989 -6.970 -7.502 729 H LEU 95 H LEU 95 7.354 -7.355 -3.465 730 HA LEU 95 HA LEU 95 8.151 -5.398 -1.535 731 1HB LEU 95 1HB LEU 95 6.209 -7.692 -1.107 732 2HB LEU 95 2HB LEU 95 6.326 -6.266 -0.108 733 HG LEU 95 HG LEU 95 5.290 -6.479 -2.920 734 1HD1 LEU 95 1HD1 LEU 95 4.202 -5.310 -0.351 735 2HD1 LEU 95 2HD1 LEU 95 3.796 -6.906 -0.991 736 3HD1 LEU 95 3HD1 LEU 95 3.313 -5.453 -1.892 737 1HD2 LEU 95 1HD2 LEU 95 5.112 -4.194 -3.275 738 2HD2 LEU 95 2HD2 LEU 95 6.786 -4.413 -2.795 739 3HD2 LEU 95 3HD2 LEU 95 5.607 -3.785 -1.626 740 H THR 96 H THR 96 8.834 -8.892 -1.616 741 HA THR 96 HA THR 96 11.041 -8.422 0.090 742 HB THR 96 HB THR 96 9.561 -8.493 1.947 743 HG1 THR 96 HG1 THR 96 10.332 -10.143 3.063 744 1HG2 THR 96 1HG2 THR 96 7.531 -9.494 0.964 745 2HG2 THR 96 2HG2 THR 96 7.989 -10.277 2.476 746 3HG2 THR 96 3HG2 THR 96 8.357 -11.078 0.935 747 H LYS 97 H LYS 97 12.501 -10.121 -0.031 748 HA LYS 97 HA LYS 97 12.520 -11.910 -2.234 749 1HB LYS 97 1HB LYS 97 14.026 -11.841 0.410 750 2HB LYS 97 2HB LYS 97 14.419 -12.989 -0.863 751 1HG LYS 97 1HG LYS 97 14.371 -10.024 -1.454 752 2HG LYS 97 2HG LYS 97 15.761 -10.753 -0.643 753 1HD LYS 97 1HD LYS 97 16.232 -12.200 -2.509 754 2HD LYS 97 2HD LYS 97 14.685 -11.841 -3.269 755 1HE LYS 97 1HE LYS 97 16.378 -10.599 -4.445 756 2HE LYS 97 2HE LYS 97 15.359 -9.470 -3.552 757 1HZ LYS 97 1HZ LYS 97 17.110 -9.302 -1.883 758 2HZ LYS 97 2HZ LYS 97 17.686 -8.913 -3.349 759 3HZ LYS 97 3HZ LYS 97 18.060 -10.372 -2.736 760 H LYS 98 H LYS 98 10.662 -12.204 0.659 761 HA LYS 98 HA LYS 98 10.765 -15.152 0.643 762 1HB LYS 98 1HB LYS 98 9.345 -13.052 2.337 763 2HB LYS 98 2HB LYS 98 8.861 -14.746 2.427 764 1HG LYS 98 1HG LYS 98 11.731 -13.815 2.807 765 2HG LYS 98 2HG LYS 98 10.596 -14.032 4.129 766 1HD LYS 98 1HD LYS 98 10.801 -16.283 4.133 767 2HD LYS 98 2HD LYS 98 10.628 -16.412 2.393 768 1HE LYS 98 1HE LYS 98 12.749 -17.184 2.577 769 2HE LYS 98 2HE LYS 98 13.094 -15.475 2.334 770 1HZ LYS 98 1HZ LYS 98 13.061 -15.400 4.890 771 2HZ LYS 98 2HZ LYS 98 14.355 -16.171 4.226 772 3HZ LYS 98 3HZ LYS 98 13.092 -17.040 4.824 773 H SER 99 H SER 99 8.820 -12.714 -0.962 774 HA SER 99 HA SER 99 6.929 -14.858 -1.750 775 1HB SER 99 1HB SER 99 5.057 -13.237 -1.265 776 2HB SER 99 2HB SER 99 5.891 -13.915 0.145 777 HG SER 99 HG SER 99 5.782 -11.782 0.532 778 H GLY 100 H GLY 100 8.490 -11.767 -2.603 779 1HA GLY 100 1HA GLY 100 8.755 -10.833 -4.662 780 2HA GLY 100 2HA GLY 100 8.179 -12.327 -5.380 781 H VAL 101 H VAL 101 6.042 -10.654 -3.159 782 HA VAL 101 HA VAL 101 3.941 -10.116 -4.978 783 HB VAL 101 HB VAL 101 4.685 -8.630 -2.450 784 1HG1 VAL 101 1HG1 VAL 101 2.016 -8.944 -3.870 785 2HG1 VAL 101 2HG1 VAL 101 2.234 -8.297 -2.225 786 3HG1 VAL 101 3HG1 VAL 101 2.938 -7.449 -3.589 787 1HG2 VAL 101 1HG2 VAL 101 4.665 -10.831 -1.757 788 2HG2 VAL 101 2HG2 VAL 101 3.096 -10.188 -1.309 789 3HG2 VAL 101 3HG2 VAL 101 3.226 -11.250 -2.726 790 H VAL 102 H VAL 102 3.472 -8.253 -6.285 791 HA VAL 102 HA VAL 102 5.297 -5.952 -5.967 792 HB VAL 102 HB VAL 102 5.529 -5.595 -8.225 793 1HG1 VAL 102 1HG1 VAL 102 5.627 -8.586 -8.118 794 2HG1 VAL 102 2HG1 VAL 102 6.465 -7.515 -9.252 795 3HG1 VAL 102 3HG1 VAL 102 6.897 -7.466 -7.535 796 1HG2 VAL 102 1HG2 VAL 102 4.242 -7.015 -9.984 797 2HG2 VAL 102 2HG2 VAL 102 3.047 -7.147 -8.660 798 3HG2 VAL 102 3HG2 VAL 102 3.530 -5.573 -9.262 799 H LEU 103 H LEU 103 4.205 -3.925 -6.659 800 HA LEU 103 HA LEU 103 1.353 -3.834 -5.821 801 1HB LEU 103 1HB LEU 103 3.256 -1.578 -6.588 802 2HB LEU 103 2HB LEU 103 1.682 -1.420 -5.825 803 HG LEU 103 HG LEU 103 4.277 -2.433 -4.624 804 1HD1 LEU 103 1HD1 LEU 103 4.012 -0.537 -3.146 805 2HD1 LEU 103 2HD1 LEU 103 2.402 -0.192 -3.818 806 3HD1 LEU 103 3HD1 LEU 103 3.816 0.018 -4.827 807 1HD2 LEU 103 1HD2 LEU 103 2.957 -2.750 -2.483 808 2HD2 LEU 103 2HD2 LEU 103 2.605 -3.949 -3.728 809 3HD2 LEU 103 3HD2 LEU 103 1.464 -2.632 -3.446 810 H HIS 104 H HIS 104 -0.264 -3.365 -7.340 811 HA HIS 104 HA HIS 104 0.612 -2.747 -10.120 812 1HB HIS 104 1HB HIS 104 0.108 -5.332 -9.195 813 2HB HIS 104 2HB HIS 104 -1.432 -4.869 -9.926 814 HD1 HIS 104 HD1 HIS 104 0.210 -3.140 -12.352 815 HD2 HIS 104 HD2 HIS 104 0.561 -7.153 -11.066 816 HE1 HIS 104 HE1 HIS 104 0.945 -4.446 -14.327 817 H ARG 105 H ARG 105 -2.245 -3.425 -8.001 818 HA ARG 105 HA ARG 105 -3.632 -1.259 -9.460 819 1HB ARG 105 1HB ARG 105 -4.337 -3.659 -10.092 820 2HB ARG 105 2HB ARG 105 -5.060 -3.711 -8.485 821 1HG ARG 105 1HG ARG 105 -6.824 -3.010 -9.878 822 2HG ARG 105 2HG ARG 105 -6.289 -1.529 -9.117 823 1HD ARG 105 1HD ARG 105 -4.735 -1.235 -11.213 824 2HD ARG 105 2HD ARG 105 -5.721 -2.506 -11.943 825 HE ARG 105 HE ARG 105 -7.338 -0.403 -10.823 826 1HH1 ARG 105 2HH1 ARG 105 -5.008 -0.801 -13.444 827 2HH1 ARG 105 1HH1 ARG 105 -5.783 0.319 -14.512 828 1HH2 ARG 105 2HH2 ARG 105 -8.497 0.927 -12.265 829 2HH2 ARG 105 1HH2 ARG 105 -7.901 1.205 -13.887 830 H ALA 106 H ALA 106 -4.883 0.138 -8.260 831 HA ALA 106 HA ALA 106 -4.520 -0.060 -5.311 832 1HB ALA 106 1HB ALA 106 -3.483 1.853 -6.532 833 2HB ALA 106 2HB ALA 106 -5.075 2.312 -7.151 834 3HB ALA 106 3HB ALA 106 -4.752 2.390 -5.417 835 H VAL 107 H VAL 107 -6.372 -0.201 -3.994 836 HA VAL 107 HA VAL 107 -9.017 -0.416 -5.311 837 HB VAL 107 HB VAL 107 -8.207 -0.630 -2.373 838 1HG1 VAL 107 1HG1 VAL 107 -10.684 -0.162 -2.922 839 2HG1 VAL 107 2HG1 VAL 107 -10.704 -1.769 -3.687 840 3HG1 VAL 107 3HG1 VAL 107 -10.323 -1.574 -1.957 841 1HG2 VAL 107 1HG2 VAL 107 -7.125 -2.446 -3.696 842 2HG2 VAL 107 2HG2 VAL 107 -8.323 -2.959 -2.504 843 3HG2 VAL 107 3HG2 VAL 107 -8.729 -2.956 -4.245 844 HA PRO 108 HA PRO 108 -9.335 3.946 -4.118 845 1HB PRO 108 1HB PRO 108 -11.514 4.653 -5.493 846 2HB PRO 108 2HB PRO 108 -9.909 4.438 -6.278 847 1HG PRO 108 1HG PRO 108 -12.164 2.383 -6.159 848 2HG PRO 108 2HG PRO 108 -11.227 2.899 -7.598 849 1HD PRO 108 1HD PRO 108 -10.616 0.669 -6.168 850 2HD PRO 108 2HD PRO 108 -9.360 1.692 -6.927 851 H SER 109 H SER 109 -10.265 4.606 -2.380 852 HA SER 109 HA SER 109 -12.942 3.586 -1.477 853 1HB SER 109 1HB SER 109 -11.234 3.280 0.263 854 2HB SER 109 2HB SER 109 -10.712 4.955 0.124 855 HG SER 109 HG SER 109 -12.971 3.811 1.299 856 H GLY 110 H GLY 110 -10.784 6.343 -2.063 857 1HA GLY 110 1HA GLY 110 -11.630 8.278 -3.367 858 2HA GLY 110 2HA GLY 110 -13.094 8.188 -2.362 859 HA PRO 111 HA PRO 111 -9.708 10.828 -0.340 860 1HB PRO 111 1HB PRO 111 -10.851 13.300 -0.557 861 2HB PRO 111 2HB PRO 111 -9.931 12.501 -1.874 862 1HG PRO 111 1HG PRO 111 -12.931 12.612 -1.566 863 2HG PRO 111 2HG PRO 111 -11.939 12.948 -3.020 864 1HD PRO 111 1HD PRO 111 -13.107 10.536 -2.579 865 2HD PRO 111 2HD PRO 111 -11.542 10.710 -3.431 866 H SER 112 H SER 112 -10.247 9.663 1.552 867 HA SER 112 HA SER 112 -12.335 10.748 3.348 868 1HB SER 112 1HB SER 112 -13.275 9.006 1.800 869 2HB SER 112 2HB SER 112 -12.036 7.870 2.349 870 HG SER 112 HG SER 112 -13.806 9.113 4.190 871 H SER 113 H SER 113 -12.037 9.767 5.619 872 HA SER 113 HA SER 113 -9.369 8.658 6.146 873 1HB SER 113 1HB SER 113 -8.902 10.574 7.724 874 2HB SER 113 2HB SER 113 -8.843 10.984 6.013 875 HG SER 113 HG SER 113 -10.627 11.755 7.979 876 H GLY 114 H GLY 114 -9.173 7.699 8.235 877 1HA GLY 114 1HA GLY 114 -10.578 7.818 10.496 878 2HA GLY 114 2HA GLY 114 -11.704 6.920 9.447 Start of MODEL 11 1 1H GLY 1 H GLY 1 -15.662 3.734 -13.502 2 1HA GLY 1 1HA GLY 1 -15.022 6.464 -14.448 3 2HA GLY 1 2HA GLY 1 -14.212 5.604 -13.125 4 H SER 2 H SER 2 -14.724 5.686 -16.659 5 HA SER 2 HA SER 2 -12.825 3.644 -17.332 6 1HB SER 2 1HB SER 2 -13.944 5.969 -18.966 7 2HB SER 2 2HB SER 2 -13.237 4.470 -19.609 8 HG SER 2 HG SER 2 -15.687 4.731 -19.295 9 H SER 3 H SER 3 -12.637 7.082 -16.623 10 HA SER 3 HA SER 3 -10.116 7.656 -17.817 11 1HB SER 3 1HB SER 3 -11.120 9.000 -15.305 12 2HB SER 3 2HB SER 3 -10.308 9.709 -16.712 13 HG SER 3 HG SER 3 -12.332 8.995 -17.870 14 H GLY 4 H GLY 4 -8.133 8.048 -16.573 15 1HA GLY 4 1HA GLY 4 -7.873 6.932 -13.896 16 2HA GLY 4 2HA GLY 4 -6.915 6.094 -15.146 17 H SER 5 H SER 5 -5.842 7.587 -12.992 18 HA SER 5 HA SER 5 -4.477 9.857 -14.387 19 1HB SER 5 1HB SER 5 -5.287 9.718 -11.465 20 2HB SER 5 2HB SER 5 -4.567 11.099 -12.315 21 HG SER 5 HG SER 5 -6.906 11.136 -12.012 22 H SER 6 H SER 6 -4.384 7.345 -11.886 23 HA SER 6 HA SER 6 -2.784 6.054 -11.031 24 1HB SER 6 1HB SER 6 -1.990 6.000 -13.943 25 2HB SER 6 2HB SER 6 -1.719 4.729 -12.730 26 HG SER 6 HG SER 6 -3.524 4.395 -14.104 27 H GLY 7 H GLY 7 -1.887 7.988 -9.908 28 1HA GLY 7 1HA GLY 7 1.008 7.970 -10.074 29 2HA GLY 7 2HA GLY 7 0.270 9.495 -10.653 30 H GLU 8 H GLU 8 -0.672 10.874 -9.286 31 HA GLU 8 HA GLU 8 -1.243 11.936 -7.351 32 1HB GLU 8 1HB GLU 8 -2.035 9.106 -6.496 33 2HB GLU 8 2HB GLU 8 -2.498 10.613 -5.717 34 1HG GLU 8 1HG GLU 8 -4.341 9.954 -7.044 35 2HG GLU 8 2HG GLU 8 -3.579 11.354 -7.812 36 H VAL 9 H VAL 9 1.550 10.720 -7.591 37 HA VAL 9 HA VAL 9 2.421 9.600 -5.279 38 HB VAL 9 HB VAL 9 4.114 11.432 -7.028 39 1HG1 VAL 9 1HG1 VAL 9 5.803 9.586 -6.673 40 2HG1 VAL 9 2HG1 VAL 9 5.331 10.482 -5.229 41 3HG1 VAL 9 3HG1 VAL 9 4.667 8.864 -5.518 42 1HG2 VAL 9 1HG2 VAL 9 4.420 9.451 -8.572 43 2HG2 VAL 9 2HG2 VAL 9 2.989 8.719 -7.795 44 3HG2 VAL 9 3HG2 VAL 9 2.860 10.243 -8.694 45 H GLN 10 H GLN 10 2.699 13.027 -6.275 46 HA GLN 10 HA GLN 10 3.953 13.705 -3.764 47 1HB GLN 10 1HB GLN 10 3.085 15.457 -6.075 48 2HB GLN 10 2HB GLN 10 4.231 15.922 -4.803 49 1HG GLN 10 1HG GLN 10 4.598 13.754 -6.896 50 2HG GLN 10 2HG GLN 10 5.466 15.288 -6.810 51 1HE2 GLN 10 2HE2 GLN 10 6.531 12.436 -6.777 52 2HE2 GLN 10 1HE2 GLN 10 7.422 12.281 -5.297 53 H LYS 11 H LYS 11 0.821 13.310 -4.534 54 HA LYS 11 HA LYS 11 -0.424 15.505 -2.978 55 1HB LYS 11 1HB LYS 11 -1.472 12.720 -3.713 56 2HB LYS 11 2HB LYS 11 -2.390 13.993 -2.945 57 1HG LYS 11 1HG LYS 11 -1.560 15.391 -5.068 58 2HG LYS 11 2HG LYS 11 -1.519 13.771 -5.791 59 1HD LYS 11 1HD LYS 11 -3.915 13.462 -4.969 60 2HD LYS 11 2HD LYS 11 -3.856 15.120 -4.362 61 1HE LYS 11 1HE LYS 11 -4.924 15.359 -6.394 62 2HE LYS 11 2HE LYS 11 -3.271 15.858 -6.732 63 1HZ LYS 11 1HZ LYS 11 -4.457 13.214 -7.357 64 2HZ LYS 11 2HZ LYS 11 -2.901 13.685 -7.735 65 3HZ LYS 11 3HZ LYS 11 -4.173 14.412 -8.437 66 HA PRO 12 HA PRO 12 0.256 13.839 1.082 67 1HB PRO 12 1HB PRO 12 -2.191 14.239 2.302 68 2HB PRO 12 2HB PRO 12 -0.943 15.448 2.102 69 1HG PRO 12 1HG PRO 12 -3.424 15.058 0.443 70 2HG PRO 12 2HG PRO 12 -2.664 16.597 0.943 71 1HD PRO 12 1HD PRO 12 -2.423 15.453 -1.533 72 2HD PRO 12 2HD PRO 12 -1.153 16.485 -0.843 73 H LEU 13 H LEU 13 -0.456 12.084 2.485 74 HA LEU 13 HA LEU 13 -1.469 9.789 1.077 75 1HB LEU 13 1HB LEU 13 0.218 9.828 2.891 76 2HB LEU 13 2HB LEU 13 -1.037 10.249 4.059 77 HG LEU 13 HG LEU 13 -1.263 7.698 2.402 78 1HD1 LEU 13 1HD1 LEU 13 0.079 7.815 5.123 79 2HD1 LEU 13 2HD1 LEU 13 0.999 7.880 3.629 80 3HD1 LEU 13 3HD1 LEU 13 -0.019 6.461 3.987 81 1HD2 LEU 13 1HD2 LEU 13 -2.453 6.862 4.403 82 2HD2 LEU 13 2HD2 LEU 13 -3.214 8.326 3.792 83 3HD2 LEU 13 3HD2 LEU 13 -2.203 8.413 5.227 84 H HIS 14 H HIS 14 -2.982 12.250 3.203 85 HA HIS 14 HA HIS 14 -5.211 10.576 3.783 86 1HB HIS 14 1HB HIS 14 -6.152 12.376 4.955 87 2HB HIS 14 2HB HIS 14 -4.428 12.457 5.236 88 HD1 HIS 14 HD1 HIS 14 -6.344 15.007 5.605 89 HD2 HIS 14 HD2 HIS 14 -4.333 13.993 2.062 90 HE1 HIS 14 HE1 HIS 14 -6.030 17.175 4.277 91 H GLU 15 H GLU 15 -4.673 11.753 0.718 92 HA GLU 15 HA GLU 15 -7.541 12.143 0.175 93 1HB GLU 15 1HB GLU 15 -6.576 14.249 0.038 94 2HB GLU 15 2HB GLU 15 -5.048 13.661 -0.623 95 1HG GLU 15 1HG GLU 15 -5.954 13.218 -2.710 96 2HG GLU 15 2HG GLU 15 -7.620 13.439 -2.139 97 H GLN 16 H GLN 16 -5.138 9.883 0.117 98 HA GLN 16 HA GLN 16 -5.033 9.258 -2.676 99 1HB GLN 16 1HB GLN 16 -4.253 7.635 -0.238 100 2HB GLN 16 2HB GLN 16 -3.915 7.133 -1.890 101 1HG GLN 16 1HG GLN 16 -2.928 9.706 -0.626 102 2HG GLN 16 2HG GLN 16 -1.992 8.224 -0.744 103 1HE2 GLN 16 2HE2 GLN 16 -1.005 10.641 -1.766 104 2HE2 GLN 16 1HE2 GLN 16 -0.909 10.482 -3.502 105 H LEU 17 H LEU 17 -5.495 7.085 -3.458 106 HA LEU 17 HA LEU 17 -8.385 6.635 -3.201 107 1HB LEU 17 1HB LEU 17 -7.931 5.169 -5.251 108 2HB LEU 17 2HB LEU 17 -7.884 6.879 -5.487 109 HG LEU 17 HG LEU 17 -5.304 5.398 -4.934 110 1HD1 LEU 17 1HD1 LEU 17 -5.043 4.834 -7.276 111 2HD1 LEU 17 2HD1 LEU 17 -6.683 5.454 -7.634 112 3HD1 LEU 17 3HD1 LEU 17 -6.464 4.014 -6.601 113 1HD2 LEU 17 1HD2 LEU 17 -4.329 7.067 -6.436 114 2HD2 LEU 17 2HD2 LEU 17 -5.270 7.905 -5.200 115 3HD2 LEU 17 3HD2 LEU 17 -5.939 7.707 -6.822 116 H TRP 18 H TRP 18 -5.400 4.718 -3.259 117 HA TRP 18 HA TRP 18 -6.605 2.322 -2.235 118 1HB TRP 18 1HB TRP 18 -4.141 1.741 -1.994 119 2HB TRP 18 2HB TRP 18 -4.729 2.085 -3.576 120 HD1 TRP 18 HD1 TRP 18 -3.321 3.751 -4.960 121 HE1 TRP 18 HE1 TRP 18 -1.506 5.545 -4.448 122 HE3 TRP 18 HE3 TRP 18 -3.262 3.535 0.173 123 HZ2 TRP 18 HZ2 TRP 18 -0.046 6.420 -2.244 124 HZ3 TRP 18 HZ3 TRP 18 -1.693 4.937 1.467 125 HH2 TRP 18 HH2 TRP 18 -0.026 6.353 0.290 126 H TYR 19 H TYR 19 -5.939 5.281 -0.669 127 HA TYR 19 HA TYR 19 -5.339 3.944 1.895 128 1HB TYR 19 1HB TYR 19 -4.256 6.059 1.484 129 2HB TYR 19 2HB TYR 19 -5.824 6.861 1.324 130 HD1 TYR 19 HD1 TYR 19 -5.788 8.372 3.112 131 HD2 TYR 19 HD2 TYR 19 -4.883 4.230 3.925 132 HE1 TYR 19 HE1 TYR 19 -5.767 8.845 5.526 133 HE2 TYR 19 HE2 TYR 19 -4.986 4.659 6.312 134 HH TYR 19 HH TYR 19 -5.866 6.567 8.002 135 H HIS 20 H HIS 20 -7.106 2.669 2.340 136 HA HIS 20 HA HIS 20 -9.811 3.708 2.153 137 1HB HIS 20 1HB HIS 20 -8.601 1.131 3.169 138 2HB HIS 20 2HB HIS 20 -10.299 1.554 3.452 139 HD1 HIS 20 HD1 HIS 20 -11.869 0.649 1.697 140 HD2 HIS 20 HD2 HIS 20 -8.047 1.591 0.200 141 HE1 HIS 20 HE1 HIS 20 -11.901 0.163 -0.828 142 H GLY 21 H GLY 21 -7.668 2.894 5.066 143 1HA GLY 21 1HA GLY 21 -7.681 4.812 6.667 144 2HA GLY 21 2HA GLY 21 -9.417 4.527 6.753 145 H ALA 22 H ALA 22 -9.330 3.867 8.845 146 HA ALA 22 HA ALA 22 -7.883 1.480 9.785 147 1HB ALA 22 1HB ALA 22 -10.247 2.999 10.969 148 2HB ALA 22 2HB ALA 22 -9.402 1.644 11.746 149 3HB ALA 22 3HB ALA 22 -8.540 3.164 11.434 150 H ILE 23 H ILE 23 -8.363 -0.373 8.583 151 HA ILE 23 HA ILE 23 -11.174 -1.203 8.514 152 HB ILE 23 HB ILE 23 -11.405 -1.050 6.354 153 1HG1 ILE 23 1HG1 ILE 23 -9.083 -2.982 5.946 154 2HG1 ILE 23 2HG1 ILE 23 -10.735 -3.414 6.335 155 1HG2 ILE 23 1HG2 ILE 23 -9.789 -0.226 4.735 156 2HG2 ILE 23 2HG2 ILE 23 -9.808 0.774 6.172 157 3HG2 ILE 23 3HG2 ILE 23 -8.475 -0.385 5.898 158 1HD1 ILE 23 1HD1 ILE 23 -11.514 -2.384 4.232 159 2HD1 ILE 23 2HD1 ILE 23 -9.799 -2.190 3.770 160 3HD1 ILE 23 3HD1 ILE 23 -10.458 -3.803 4.059 161 HA PRO 24 HA PRO 24 -9.282 -4.843 10.214 162 1HB PRO 24 1HB PRO 24 -11.203 -6.735 9.706 163 2HB PRO 24 2HB PRO 24 -11.457 -5.398 10.901 164 1HG PRO 24 1HG PRO 24 -12.219 -5.584 7.987 165 2HG PRO 24 2HG PRO 24 -13.323 -5.178 9.338 166 1HD PRO 24 1HD PRO 24 -12.221 -3.245 7.826 167 2HD PRO 24 2HD PRO 24 -12.315 -3.033 9.582 168 H ARG 25 H ARG 25 -8.384 -6.976 9.627 169 HA ARG 25 HA ARG 25 -7.484 -7.190 6.900 170 1HB ARG 25 1HB ARG 25 -6.443 -9.218 7.517 171 2HB ARG 25 2HB ARG 25 -6.358 -8.211 8.968 172 1HG ARG 25 1HG ARG 25 -8.316 -9.439 9.921 173 2HG ARG 25 2HG ARG 25 -8.388 -10.434 8.457 174 1HD ARG 25 1HD ARG 25 -6.019 -11.156 8.900 175 2HD ARG 25 2HD ARG 25 -6.165 -10.379 10.502 176 HE ARG 25 HE ARG 25 -8.419 -12.081 10.016 177 1HH1 ARG 25 2HH1 ARG 25 -4.953 -12.403 10.688 178 2HH1 ARG 25 1HH1 ARG 25 -5.163 -13.934 11.503 179 1HH2 ARG 25 2HH2 ARG 25 -8.657 -14.036 10.860 180 2HH2 ARG 25 1HH2 ARG 25 -7.336 -14.988 11.473 181 H ALA 26 H ALA 26 -10.395 -8.350 8.461 182 HA ALA 26 HA ALA 26 -10.970 -10.481 6.655 183 1HB ALA 26 1HB ALA 26 -12.703 -8.793 8.518 184 2HB ALA 26 2HB ALA 26 -13.272 -10.237 7.666 185 3HB ALA 26 3HB ALA 26 -11.975 -10.377 8.865 186 H GLU 27 H GLU 27 -11.618 -6.955 6.513 187 HA GLU 27 HA GLU 27 -13.571 -7.241 4.414 188 1HB GLU 27 1HB GLU 27 -12.186 -4.978 5.770 189 2HB GLU 27 2HB GLU 27 -13.176 -4.659 4.341 190 1HG GLU 27 1HG GLU 27 -13.950 -6.046 6.902 191 2HG GLU 27 2HG GLU 27 -14.470 -4.423 6.439 192 H VAL 28 H VAL 28 -10.101 -6.836 4.539 193 HA VAL 28 HA VAL 28 -9.375 -5.667 2.224 194 HB VAL 28 HB VAL 28 -8.124 -8.146 3.472 195 1HG1 VAL 28 1HG1 VAL 28 -7.284 -7.890 1.169 196 2HG1 VAL 28 2HG1 VAL 28 -6.844 -6.210 1.518 197 3HG1 VAL 28 3HG1 VAL 28 -6.039 -7.560 2.360 198 1HG2 VAL 28 1HG2 VAL 28 -6.591 -6.563 4.562 199 2HG2 VAL 28 2HG2 VAL 28 -7.410 -5.191 3.780 200 3HG2 VAL 28 3HG2 VAL 28 -8.263 -6.165 4.982 201 H ALA 29 H ALA 29 -9.922 -9.244 2.333 202 HA ALA 29 HA ALA 29 -9.305 -9.500 -0.426 203 1HB ALA 29 1HB ALA 29 -11.170 -11.498 0.691 204 2HB ALA 29 2HB ALA 29 -9.612 -11.707 -0.186 205 3HB ALA 29 3HB ALA 29 -9.654 -11.293 1.566 206 H GLU 30 H GLU 30 -12.182 -8.294 0.887 207 HA GLU 30 HA GLU 30 -13.891 -8.979 -1.408 208 1HB GLU 30 1HB GLU 30 -15.335 -8.812 0.269 209 2HB GLU 30 2HB GLU 30 -14.301 -7.819 1.280 210 1HG GLU 30 1HG GLU 30 -14.942 -5.786 0.168 211 2HG GLU 30 2HG GLU 30 -15.774 -6.679 -1.113 212 H LEU 31 H LEU 31 -11.766 -6.370 -0.287 213 HA LEU 31 HA LEU 31 -12.629 -4.424 -2.283 214 1HB LEU 31 1HB LEU 31 -10.081 -4.576 -0.612 215 2HB LEU 31 2HB LEU 31 -10.643 -3.205 -1.513 216 HG LEU 31 HG LEU 31 -12.114 -4.348 0.917 217 1HD1 LEU 31 1HD1 LEU 31 -11.388 -2.119 1.874 218 2HD1 LEU 31 2HD1 LEU 31 -10.283 -1.962 0.503 219 3HD1 LEU 31 3HD1 LEU 31 -10.110 -3.323 1.632 220 1HD2 LEU 31 1HD2 LEU 31 -12.662 -1.912 -0.851 221 2HD2 LEU 31 2HD2 LEU 31 -13.420 -2.200 0.736 222 3HD2 LEU 31 3HD2 LEU 31 -13.714 -3.315 -0.594 223 H LEU 32 H LEU 32 -10.004 -6.750 -1.830 224 HA LEU 32 HA LEU 32 -8.732 -5.961 -4.372 225 1HB LEU 32 1HB LEU 32 -7.852 -8.313 -2.663 226 2HB LEU 32 2HB LEU 32 -6.912 -7.287 -3.726 227 HG LEU 32 HG LEU 32 -7.925 -6.621 -0.956 228 1HD1 LEU 32 1HD1 LEU 32 -5.584 -6.479 -0.370 229 2HD1 LEU 32 2HD1 LEU 32 -5.158 -6.877 -2.029 230 3HD1 LEU 32 3HD1 LEU 32 -6.001 -8.080 -1.012 231 1HD2 LEU 32 1HD2 LEU 32 -6.169 -4.566 -1.640 232 2HD2 LEU 32 2HD2 LEU 32 -7.954 -4.470 -1.551 233 3HD2 LEU 32 3HD2 LEU 32 -7.151 -4.746 -3.074 234 H VAL 33 H VAL 33 -8.986 -7.159 -6.307 235 HA VAL 33 HA VAL 33 -10.328 -9.828 -6.026 236 HB VAL 33 HB VAL 33 -10.631 -7.933 -8.375 237 1HG1 VAL 33 1HG1 VAL 33 -12.379 -10.225 -7.380 238 2HG1 VAL 33 2HG1 VAL 33 -12.603 -9.252 -8.853 239 3HG1 VAL 33 3HG1 VAL 33 -11.219 -10.334 -8.719 240 1HG2 VAL 33 1HG2 VAL 33 -12.890 -7.333 -7.470 241 2HG2 VAL 33 2HG2 VAL 33 -12.452 -8.107 -5.931 242 3HG2 VAL 33 3HG2 VAL 33 -11.574 -6.671 -6.507 243 H HIS 34 H HIS 34 -7.801 -7.903 -7.622 244 HA HIS 34 HA HIS 34 -7.043 -10.310 -9.208 245 1HB HIS 34 1HB HIS 34 -6.545 -7.354 -9.706 246 2HB HIS 34 2HB HIS 34 -6.227 -8.691 -10.821 247 HD1 HIS 34 HD1 HIS 34 -8.635 -6.099 -10.725 248 HD2 HIS 34 HD2 HIS 34 -9.022 -10.281 -10.476 249 HE1 HIS 34 HE1 HIS 34 -10.969 -6.651 -11.526 250 H SER 35 H SER 35 -4.786 -10.844 -9.428 251 HA SER 35 HA SER 35 -3.285 -10.470 -7.055 252 1HB SER 35 1HB SER 35 -1.474 -11.387 -8.853 253 2HB SER 35 2HB SER 35 -2.656 -12.407 -8.017 254 HG SER 35 HG SER 35 -2.809 -12.916 -10.112 255 H GLY 36 H GLY 36 -2.636 -8.476 -6.511 256 1HA GLY 36 1HA GLY 36 -0.760 -6.834 -7.200 257 2HA GLY 36 2HA GLY 36 -1.788 -6.617 -8.654 258 H ASP 37 H ASP 37 -4.265 -6.965 -6.857 259 HA ASP 37 HA ASP 37 -4.838 -4.175 -6.573 260 1HB ASP 37 1HB ASP 37 -6.163 -6.755 -5.811 261 2HB ASP 37 2HB ASP 37 -6.632 -5.314 -4.931 262 H PHE 38 H PHE 38 -4.264 -2.833 -4.911 263 HA PHE 38 HA PHE 38 -3.731 -4.013 -2.264 264 1HB PHE 38 1HB PHE 38 -1.739 -2.702 -1.910 265 2HB PHE 38 2HB PHE 38 -1.522 -3.639 -3.387 266 HD1 PHE 38 HD1 PHE 38 -1.375 -2.657 -5.544 267 HD2 PHE 38 HD2 PHE 38 -1.922 -0.194 -2.053 268 HE1 PHE 38 HE1 PHE 38 -0.899 -0.658 -6.897 269 HE2 PHE 38 HE2 PHE 38 -1.350 1.816 -3.393 270 HZ PHE 38 HZ PHE 38 -0.907 1.590 -5.851 271 H LEU 39 H LEU 39 -4.010 -2.677 -0.485 272 HA LEU 39 HA LEU 39 -4.962 0.041 -0.881 273 1HB LEU 39 1HB LEU 39 -6.814 -0.240 0.543 274 2HB LEU 39 2HB LEU 39 -6.949 -1.482 -0.663 275 HG LEU 39 HG LEU 39 -5.462 -2.617 1.544 276 1HD1 LEU 39 1HD1 LEU 39 -7.967 -1.204 2.459 277 2HD1 LEU 39 2HD1 LEU 39 -6.295 -0.776 2.887 278 3HD1 LEU 39 3HD1 LEU 39 -6.967 -2.338 3.402 279 1HD2 LEU 39 1HD2 LEU 39 -7.688 -3.913 1.874 280 2HD2 LEU 39 2HD2 LEU 39 -6.722 -4.126 0.420 281 3HD2 LEU 39 3HD2 LEU 39 -8.173 -3.101 0.376 282 H VAL 40 H VAL 40 -4.737 1.172 1.275 283 HA VAL 40 HA VAL 40 -2.725 -0.051 3.104 284 HB VAL 40 HB VAL 40 -3.071 2.874 2.339 285 1HG1 VAL 40 1HG1 VAL 40 -1.192 3.312 3.914 286 2HG1 VAL 40 2HG1 VAL 40 -2.640 2.755 4.752 287 3HG1 VAL 40 3HG1 VAL 40 -1.292 1.627 4.478 288 1HG2 VAL 40 1HG2 VAL 40 -0.676 2.654 1.648 289 2HG2 VAL 40 2HG2 VAL 40 -0.727 0.936 2.063 290 3HG2 VAL 40 3HG2 VAL 40 -1.713 1.560 0.726 291 H ARG 41 H ARG 41 -3.485 -0.381 5.058 292 HA ARG 41 HA ARG 41 -5.977 0.955 5.913 293 1HB ARG 41 1HB ARG 41 -6.647 -1.092 7.093 294 2HB ARG 41 2HB ARG 41 -6.436 -1.419 5.364 295 1HG ARG 41 1HG ARG 41 -4.131 -2.262 5.880 296 2HG ARG 41 2HG ARG 41 -4.463 -2.087 7.607 297 1HD ARG 41 1HD ARG 41 -6.320 -3.720 5.859 298 2HD ARG 41 2HD ARG 41 -4.746 -4.369 6.349 299 HE ARG 41 HE ARG 41 -6.775 -3.350 8.286 300 1HH1 ARG 41 2HH1 ARG 41 -4.574 -5.947 7.318 301 2HH1 ARG 41 1HH1 ARG 41 -4.530 -6.679 8.904 302 1HH2 ARG 41 2HH2 ARG 41 -6.755 -4.336 10.314 303 2HH2 ARG 41 1HH2 ARG 41 -6.355 -6.012 10.437 304 H GLU 42 H GLU 42 -6.082 0.960 8.395 305 HA GLU 42 HA GLU 42 -3.371 1.144 9.609 306 1HB GLU 42 1HB GLU 42 -5.132 3.025 9.674 307 2HB GLU 42 2HB GLU 42 -5.941 2.018 10.892 308 1HG GLU 42 1HG GLU 42 -3.579 2.036 12.089 309 2HG GLU 42 2HG GLU 42 -3.146 3.270 10.920 310 H SER 43 H SER 43 -3.184 0.310 11.826 311 HA SER 43 HA SER 43 -4.071 -2.435 12.135 312 1HB SER 43 1HB SER 43 -1.754 -1.641 12.570 313 2HB SER 43 2HB SER 43 -2.363 -0.622 13.885 314 HG SER 43 HG SER 43 -1.481 -2.715 14.484 315 H GLN 44 H GLN 44 -4.573 -2.917 14.536 316 HA GLN 44 HA GLN 44 -7.299 -2.438 14.766 317 1HB GLN 44 1HB GLN 44 -5.414 -3.462 16.939 318 2HB GLN 44 2HB GLN 44 -7.176 -3.647 16.909 319 1HG GLN 44 1HG GLN 44 -6.898 -4.859 14.679 320 2HG GLN 44 2HG GLN 44 -5.154 -4.865 14.991 321 1HE2 GLN 44 2HE2 GLN 44 -7.645 -6.927 15.086 322 2HE2 GLN 44 1HE2 GLN 44 -7.216 -7.850 16.527 323 H GLY 45 H GLY 45 -4.887 -1.378 17.158 324 1HA GLY 45 1HA GLY 45 -6.351 1.147 17.662 325 2HA GLY 45 2HA GLY 45 -5.955 0.087 19.020 326 H LYS 46 H LYS 46 -3.691 0.031 16.376 327 HA LYS 46 HA LYS 46 -1.720 1.700 17.828 328 1HB LYS 46 1HB LYS 46 -1.558 -0.740 15.993 329 2HB LYS 46 2HB LYS 46 -0.233 0.404 16.079 330 1HG LYS 46 1HG LYS 46 0.252 -1.356 17.554 331 2HG LYS 46 2HG LYS 46 -0.061 0.116 18.476 332 1HD LYS 46 1HD LYS 46 -0.965 -1.807 19.660 333 2HD LYS 46 2HD LYS 46 -2.258 -0.743 19.166 334 1HE LYS 46 1HE LYS 46 -3.025 -2.941 18.732 335 2HE LYS 46 2HE LYS 46 -2.613 -2.275 17.140 336 1HZ LYS 46 1HZ LYS 46 -0.967 -4.115 18.761 337 2HZ LYS 46 2HZ LYS 46 -0.488 -3.529 17.311 338 3HZ LYS 46 3HZ LYS 46 -1.798 -4.537 17.438 339 H GLN 47 H GLN 47 -0.926 3.388 16.717 340 HA GLN 47 HA GLN 47 -1.981 4.228 14.114 341 1HB GLN 47 1HB GLN 47 0.104 5.327 16.027 342 2HB GLN 47 2HB GLN 47 -0.276 6.063 14.458 343 1HG GLN 47 1HG GLN 47 -2.587 6.469 15.186 344 2HG GLN 47 2HG GLN 47 -2.228 5.751 16.770 345 1HE2 GLN 47 2HE2 GLN 47 -0.835 6.913 18.249 346 2HE2 GLN 47 1HE2 GLN 47 -0.270 8.549 17.888 347 H GLU 48 H GLU 48 -1.244 2.003 13.378 348 HA GLU 48 HA GLU 48 1.401 2.307 12.085 349 1HB GLU 48 1HB GLU 48 1.866 0.883 13.959 350 2HB GLU 48 2HB GLU 48 0.415 -0.098 13.663 351 1HG GLU 48 1HG GLU 48 1.311 -1.038 11.679 352 2HG GLU 48 2HG GLU 48 2.668 0.114 11.651 353 H TYR 49 H TYR 49 1.249 1.759 9.968 354 HA TYR 49 HA TYR 49 -1.440 0.979 8.998 355 1HB TYR 49 1HB TYR 49 0.935 2.134 7.537 356 2HB TYR 49 2HB TYR 49 -0.585 1.641 6.777 357 HD1 TYR 49 HD1 TYR 49 -2.756 2.724 8.148 358 HD2 TYR 49 HD2 TYR 49 1.146 4.451 7.554 359 HE1 TYR 49 HE1 TYR 49 -3.733 4.980 8.310 360 HE2 TYR 49 HE2 TYR 49 0.157 6.704 7.552 361 HH TYR 49 HH TYR 49 -3.370 7.236 7.940 362 H VAL 50 H VAL 50 -1.684 -0.545 7.326 363 HA VAL 50 HA VAL 50 0.415 -2.631 7.025 364 HB VAL 50 HB VAL 50 -2.556 -2.909 7.581 365 1HG1 VAL 50 1HG1 VAL 50 -2.110 -4.486 5.784 366 2HG1 VAL 50 2HG1 VAL 50 -0.661 -5.080 6.617 367 3HG1 VAL 50 3HG1 VAL 50 -2.284 -5.369 7.298 368 1HG2 VAL 50 1HG2 VAL 50 -1.060 -2.800 9.566 369 2HG2 VAL 50 2HG2 VAL 50 -1.970 -4.312 9.430 370 3HG2 VAL 50 3HG2 VAL 50 -0.256 -4.259 8.942 371 H LEU 51 H LEU 51 0.823 -2.975 4.926 372 HA LEU 51 HA LEU 51 -0.898 -1.871 2.802 373 1HB LEU 51 1HB LEU 51 1.721 -2.058 2.711 374 2HB LEU 51 2HB LEU 51 1.488 -3.785 2.636 375 HG LEU 51 HG LEU 51 0.003 -3.366 0.563 376 1HD1 LEU 51 1HD1 LEU 51 0.522 -1.154 -0.608 377 2HD1 LEU 51 2HD1 LEU 51 1.164 -0.566 0.947 378 3HD1 LEU 51 3HD1 LEU 51 -0.544 -1.019 0.793 379 1HD2 LEU 51 1HD2 LEU 51 2.342 -4.146 0.573 380 2HD2 LEU 51 2HD2 LEU 51 2.908 -2.476 0.423 381 3HD2 LEU 51 3HD2 LEU 51 1.939 -3.217 -0.877 382 H SER 52 H SER 52 -2.457 -3.206 1.811 383 HA SER 52 HA SER 52 -2.402 -6.115 2.534 384 1HB SER 52 1HB SER 52 -4.989 -4.680 2.108 385 2HB SER 52 2HB SER 52 -4.617 -6.143 3.031 386 HG SER 52 HG SER 52 -3.831 -3.516 3.724 387 H VAL 53 H VAL 53 -1.808 -7.136 0.615 388 HA VAL 53 HA VAL 53 -3.001 -6.144 -1.863 389 HB VAL 53 HB VAL 53 -0.968 -5.085 -1.908 390 1HG1 VAL 53 1HG1 VAL 53 1.247 -6.167 -1.584 391 2HG1 VAL 53 2HG1 VAL 53 0.292 -5.832 -0.161 392 3HG1 VAL 53 3HG1 VAL 53 0.377 -7.512 -0.795 393 1HG2 VAL 53 1HG2 VAL 53 -0.407 -7.642 -3.459 394 2HG2 VAL 53 2HG2 VAL 53 -1.429 -6.304 -4.025 395 3HG2 VAL 53 3HG2 VAL 53 0.291 -6.038 -3.757 396 H LEU 54 H LEU 54 -3.646 -7.691 -3.259 397 HA LEU 54 HA LEU 54 -3.876 -10.419 -2.160 398 1HB LEU 54 1HB LEU 54 -5.748 -9.027 -3.152 399 2HB LEU 54 2HB LEU 54 -4.998 -9.198 -4.715 400 HG LEU 54 HG LEU 54 -5.342 -11.726 -4.417 401 1HD1 LEU 54 1HD1 LEU 54 -7.055 -12.458 -2.845 402 2HD1 LEU 54 2HD1 LEU 54 -6.978 -10.871 -2.049 403 3HD1 LEU 54 3HD1 LEU 54 -5.551 -11.954 -2.121 404 1HD2 LEU 54 1HD2 LEU 54 -6.780 -10.359 -5.819 405 2HD2 LEU 54 2HD2 LEU 54 -7.811 -10.019 -4.416 406 3HD2 LEU 54 3HD2 LEU 54 -7.681 -11.673 -5.038 407 H TRP 55 H TRP 55 -2.507 -12.055 -2.852 408 HA TRP 55 HA TRP 55 -1.158 -11.740 -5.473 409 1HB TRP 55 1HB TRP 55 0.152 -10.969 -3.291 410 2HB TRP 55 2HB TRP 55 0.363 -12.690 -3.039 411 HD1 TRP 55 HD1 TRP 55 2.765 -13.226 -3.732 412 HE1 TRP 55 HE1 TRP 55 4.365 -12.611 -5.571 413 HE3 TRP 55 HE3 TRP 55 -0.182 -9.828 -6.209 414 HZ2 TRP 55 HZ2 TRP 55 4.440 -10.629 -7.843 415 HZ3 TRP 55 HZ3 TRP 55 0.648 -8.700 -8.241 416 HH2 TRP 55 HH2 TRP 55 2.957 -9.151 -9.071 417 H ASP 56 H ASP 56 -1.731 -13.493 -6.608 418 HA ASP 56 HA ASP 56 -2.649 -15.537 -7.118 419 1HB ASP 56 1HB ASP 56 -0.336 -15.854 -7.264 420 2HB ASP 56 2HB ASP 56 -0.155 -16.043 -5.520 421 H GLY 57 H GLY 57 -4.424 -14.654 -5.507 422 1HA GLY 57 1HA GLY 57 -6.305 -15.596 -4.591 423 2HA GLY 57 2HA GLY 57 -5.411 -17.082 -4.263 424 H LEU 58 H LEU 58 -3.645 -14.536 -2.906 425 HA LEU 58 HA LEU 58 -4.938 -15.025 -0.256 426 1HB LEU 58 1HB LEU 58 -2.912 -16.463 -0.893 427 2HB LEU 58 2HB LEU 58 -1.950 -15.008 -0.628 428 HG LEU 58 HG LEU 58 -3.780 -16.370 1.411 429 1HD1 LEU 58 1HD1 LEU 58 -1.758 -17.644 0.814 430 2HD1 LEU 58 2HD1 LEU 58 -1.694 -17.064 2.490 431 3HD1 LEU 58 3HD1 LEU 58 -0.748 -16.234 1.223 432 1HD2 LEU 58 1HD2 LEU 58 -3.710 -14.089 2.117 433 2HD2 LEU 58 2HD2 LEU 58 -1.997 -13.918 1.682 434 3HD2 LEU 58 3HD2 LEU 58 -2.496 -14.906 3.078 435 HA PRO 59 HA PRO 59 -4.329 -10.481 -0.235 436 1HB PRO 59 1HB PRO 59 -5.964 -9.907 1.838 437 2HB PRO 59 2HB PRO 59 -6.603 -10.310 0.213 438 1HG PRO 59 1HG PRO 59 -6.242 -12.135 2.586 439 2HG PRO 59 2HG PRO 59 -7.687 -11.968 1.537 440 1HD PRO 59 1HD PRO 59 -5.874 -13.954 1.268 441 2HD PRO 59 2HD PRO 59 -6.717 -13.245 -0.141 442 H ARG 60 H ARG 60 -2.140 -10.595 0.308 443 HA ARG 60 HA ARG 60 -1.169 -11.483 2.843 444 1HB ARG 60 1HB ARG 60 -0.040 -9.476 0.823 445 2HB ARG 60 2HB ARG 60 0.881 -10.267 2.104 446 1HG ARG 60 1HG ARG 60 -0.462 -11.768 -0.212 447 2HG ARG 60 2HG ARG 60 1.211 -11.230 -0.207 448 1HD ARG 60 1HD ARG 60 1.687 -12.556 1.798 449 2HD ARG 60 2HD ARG 60 -0.001 -13.060 1.912 450 HE ARG 60 HE ARG 60 0.698 -13.949 -0.587 451 1HH1 ARG 60 2HH1 ARG 60 1.748 -14.600 2.741 452 2HH1 ARG 60 1HH1 ARG 60 2.565 -16.069 2.271 453 1HH2 ARG 60 2HH2 ARG 60 1.548 -15.975 -1.030 454 2HH2 ARG 60 1HH2 ARG 60 2.481 -16.874 0.146 455 H HIS 61 H HIS 61 -0.044 -9.977 4.366 456 HA HIS 61 HA HIS 61 -1.096 -7.279 4.543 457 1HB HIS 61 1HB HIS 61 -1.757 -7.560 6.940 458 2HB HIS 61 2HB HIS 61 -2.805 -8.448 5.841 459 HD1 HIS 61 HD1 HIS 61 -0.596 -8.972 8.830 460 HD2 HIS 61 HD2 HIS 61 -2.222 -11.198 5.661 461 HE1 HIS 61 HE1 HIS 61 -0.178 -11.442 9.392 462 H PHE 62 H PHE 62 0.969 -6.645 4.049 463 HA PHE 62 HA PHE 62 3.124 -7.393 5.957 464 1HB PHE 62 1HB PHE 62 3.365 -5.720 3.447 465 2HB PHE 62 2HB PHE 62 4.630 -6.349 4.480 466 HD1 PHE 62 HD1 PHE 62 5.004 -8.920 4.590 467 HD2 PHE 62 HD2 PHE 62 2.442 -7.041 1.707 468 HE1 PHE 62 HE1 PHE 62 5.084 -10.968 3.193 469 HE2 PHE 62 HE2 PHE 62 2.505 -9.073 0.302 470 HZ PHE 62 HZ PHE 62 3.831 -11.069 1.058 471 H ILE 63 H ILE 63 3.682 -5.902 7.532 472 HA ILE 63 HA ILE 63 2.046 -3.531 7.938 473 HB ILE 63 HB ILE 63 4.554 -4.685 9.182 474 1HG1 ILE 63 1HG1 ILE 63 2.183 -5.565 9.630 475 2HG1 ILE 63 2HG1 ILE 63 3.205 -5.233 11.007 476 1HG2 ILE 63 1HG2 ILE 63 4.309 -2.852 10.964 477 2HG2 ILE 63 2HG2 ILE 63 5.077 -2.407 9.455 478 3HG2 ILE 63 3HG2 ILE 63 3.393 -1.942 9.754 479 1HD1 ILE 63 1HD1 ILE 63 0.701 -4.485 11.061 480 2HD1 ILE 63 2HD1 ILE 63 1.935 -3.396 11.677 481 3HD1 ILE 63 3HD1 ILE 63 1.243 -3.113 10.081 482 H ILE 64 H ILE 64 2.479 -1.414 7.370 483 HA ILE 64 HA ILE 64 4.152 -0.917 5.080 484 HB ILE 64 HB ILE 64 2.743 0.849 7.100 485 1HG1 ILE 64 1HG1 ILE 64 1.287 -0.405 5.556 486 2HG1 ILE 64 2HG1 ILE 64 1.131 1.314 5.426 487 1HG2 ILE 64 1HG2 ILE 64 4.299 1.800 4.675 488 2HG2 ILE 64 2HG2 ILE 64 3.093 2.753 5.566 489 3HG2 ILE 64 3HG2 ILE 64 4.554 2.228 6.387 490 1HD1 ILE 64 1HD1 ILE 64 2.331 1.407 3.358 491 2HD1 ILE 64 2HD1 ILE 64 2.780 -0.315 3.509 492 3HD1 ILE 64 3HD1 ILE 64 1.080 0.163 3.263 493 H GLN 65 H GLN 65 6.053 0.091 5.022 494 HA GLN 65 HA GLN 65 8.013 -0.743 6.839 495 1HB GLN 65 1HB GLN 65 8.534 1.650 5.086 496 2HB GLN 65 2HB GLN 65 9.556 0.322 5.441 497 1HG GLN 65 1HG GLN 65 8.991 -0.036 3.213 498 2HG GLN 65 2HG GLN 65 7.809 -1.073 4.005 499 1HE2 GLN 65 2HE2 GLN 65 8.358 1.931 2.109 500 2HE2 GLN 65 1HE2 GLN 65 6.652 2.168 1.786 501 H SER 66 H SER 66 9.658 0.722 7.898 502 HA SER 66 HA SER 66 9.391 3.372 8.327 503 1HB SER 66 1HB SER 66 7.492 2.086 9.979 504 2HB SER 66 2HB SER 66 8.862 2.379 11.037 505 HG SER 66 HG SER 66 7.042 3.992 10.530 506 H LEU 67 H LEU 67 11.356 3.977 9.221 507 HA LEU 67 HA LEU 67 13.175 1.907 10.352 508 1HB LEU 67 1HB LEU 67 15.053 2.787 8.980 509 2HB LEU 67 2HB LEU 67 13.906 1.786 8.121 510 HG LEU 67 HG LEU 67 13.637 4.826 8.042 511 1HD1 LEU 67 1HD1 LEU 67 15.936 4.483 7.415 512 2HD1 LEU 67 2HD1 LEU 67 15.032 4.744 5.921 513 3HD1 LEU 67 3HD1 LEU 67 15.538 3.108 6.399 514 1HD2 LEU 67 1HD2 LEU 67 11.818 4.064 7.002 515 2HD2 LEU 67 2HD2 LEU 67 12.480 2.516 6.607 516 3HD2 LEU 67 3HD2 LEU 67 12.885 3.933 5.600 517 H ASP 68 H ASP 68 12.558 5.408 9.770 518 HA ASP 68 HA ASP 68 13.235 5.830 12.541 519 1HB ASP 68 1HB ASP 68 15.412 6.150 11.216 520 2HB ASP 68 2HB ASP 68 14.733 7.586 10.532 521 H ASN 69 H ASN 69 13.103 7.924 9.676 522 HA ASN 69 HA ASN 69 10.389 8.833 10.305 523 1HB ASN 69 1HB ASN 69 12.134 10.387 11.215 524 2HB ASN 69 2HB ASN 69 12.779 10.538 9.572 525 1HD2 ASN 69 2HD2 ASN 69 12.381 12.593 9.117 526 2HD2 ASN 69 1HD2 ASN 69 10.844 13.433 9.378 527 H LEU 70 H LEU 70 11.495 6.926 8.380 528 HA LEU 70 HA LEU 70 10.487 8.116 5.829 529 1HB LEU 70 1HB LEU 70 12.849 6.229 5.964 530 2HB LEU 70 2HB LEU 70 12.230 6.992 4.539 531 HG LEU 70 HG LEU 70 13.252 8.837 6.696 532 1HD1 LEU 70 1HD1 LEU 70 14.867 7.083 6.738 533 2HD1 LEU 70 2HD1 LEU 70 15.551 8.508 5.917 534 3HD1 LEU 70 3HD1 LEU 70 15.024 7.109 4.957 535 1HD2 LEU 70 1HD2 LEU 70 13.387 8.816 3.661 536 2HD2 LEU 70 2HD2 LEU 70 13.935 10.117 4.729 537 3HD2 LEU 70 3HD2 LEU 70 12.209 9.702 4.678 538 H TYR 71 H TYR 71 10.443 6.008 4.178 539 HA TYR 71 HA TYR 71 9.466 3.607 5.629 540 1HB TYR 71 1HB TYR 71 8.000 4.883 3.255 541 2HB TYR 71 2HB TYR 71 7.454 3.545 4.250 542 HD1 TYR 71 HD1 TYR 71 6.959 4.012 6.697 543 HD2 TYR 71 HD2 TYR 71 7.463 7.146 3.835 544 HE1 TYR 71 HE1 TYR 71 5.784 5.466 8.218 545 HE2 TYR 71 HE2 TYR 71 6.318 8.731 5.369 546 HH TYR 71 HH TYR 71 4.936 8.862 7.206 547 H ARG 72 H ARG 72 10.983 2.000 4.868 548 HA ARG 72 HA ARG 72 11.621 2.025 1.943 549 1HB ARG 72 1HB ARG 72 13.843 1.398 2.506 550 2HB ARG 72 2HB ARG 72 13.479 2.863 3.406 551 1HG ARG 72 1HG ARG 72 14.460 1.741 5.109 552 2HG ARG 72 2HG ARG 72 12.882 0.993 5.290 553 1HD ARG 72 1HD ARG 72 14.519 -0.710 5.431 554 2HD ARG 72 2HD ARG 72 13.669 -0.921 3.900 555 HE ARG 72 HE ARG 72 16.208 0.634 4.003 556 1HH1 ARG 72 2HH1 ARG 72 14.853 -2.586 3.153 557 2HH1 ARG 72 1HH1 ARG 72 16.041 -2.801 1.894 558 1HH2 ARG 72 2HH2 ARG 72 17.767 0.173 2.315 559 2HH2 ARG 72 1HH2 ARG 72 17.617 -1.318 1.444 560 H LEU 73 H LEU 73 11.755 -0.125 0.927 561 HA LEU 73 HA LEU 73 11.268 -2.389 2.797 562 1HB LEU 73 1HB LEU 73 9.166 -1.378 1.623 563 2HB LEU 73 2HB LEU 73 9.743 -2.193 0.183 564 HG LEU 73 HG LEU 73 9.490 -4.304 1.016 565 1HD1 LEU 73 1HD1 LEU 73 10.241 -4.131 3.417 566 2HD1 LEU 73 2HD1 LEU 73 8.597 -4.725 3.391 567 3HD1 LEU 73 3HD1 LEU 73 8.901 -3.031 3.776 568 1HD2 LEU 73 1HD2 LEU 73 7.148 -4.328 1.405 569 2HD2 LEU 73 2HD2 LEU 73 7.674 -3.106 0.220 570 3HD2 LEU 73 3HD2 LEU 73 7.181 -2.610 1.876 571 H GLU 74 H GLU 74 12.532 -1.341 -0.273 572 HA GLU 74 HA GLU 74 13.829 -3.972 -0.612 573 1HB GLU 74 1HB GLU 74 11.736 -3.843 -1.940 574 2HB GLU 74 2HB GLU 74 12.301 -2.418 -2.746 575 1HG GLU 74 1HG GLU 74 12.555 -4.453 -4.124 576 2HG GLU 74 2HG GLU 74 14.085 -3.630 -3.851 577 H GLY 75 H GLY 75 13.490 -0.567 -1.475 578 1HA GLY 75 1HA GLY 75 16.374 -0.189 -2.025 579 2HA GLY 75 2HA GLY 75 15.011 0.584 -2.884 580 H GLU 76 H GLU 76 16.212 2.608 -1.983 581 HA GLU 76 HA GLU 76 16.382 3.213 0.740 582 1HB GLU 76 1HB GLU 76 16.785 5.445 0.100 583 2HB GLU 76 2HB GLU 76 17.441 4.445 -1.184 584 1HG GLU 76 1HG GLU 76 15.468 4.967 -2.600 585 2HG GLU 76 2HG GLU 76 14.743 5.882 -1.285 586 H GLY 77 H GLY 77 15.193 5.035 1.906 587 1HA GLY 77 1HA GLY 77 12.307 4.500 1.797 588 2HA GLY 77 2HA GLY 77 13.206 5.249 3.122 589 H PHE 78 H PHE 78 10.856 6.382 2.284 590 HA PHE 78 HA PHE 78 11.776 8.978 1.221 591 1HB PHE 78 1HB PHE 78 9.513 7.295 0.067 592 2HB PHE 78 2HB PHE 78 9.310 8.993 0.151 593 HD1 PHE 78 HD1 PHE 78 10.022 10.371 -1.602 594 HD2 PHE 78 HD2 PHE 78 11.989 6.565 -1.054 595 HE1 PHE 78 HE1 PHE 78 11.332 10.736 -3.654 596 HE2 PHE 78 HE2 PHE 78 13.329 6.982 -3.058 597 HZ PHE 78 HZ PHE 78 12.996 9.030 -4.400 598 HA PRO 79 HA PRO 79 9.537 10.571 4.686 599 1HB PRO 79 1HB PRO 79 8.673 13.027 3.787 600 2HB PRO 79 2HB PRO 79 10.400 12.609 4.025 601 1HG PRO 79 1HG PRO 79 8.757 12.481 1.496 602 2HG PRO 79 2HG PRO 79 10.323 13.325 1.716 603 1HD PRO 79 1HD PRO 79 10.143 10.849 0.647 604 2HD PRO 79 2HD PRO 79 11.475 11.241 1.779 605 H SER 80 H SER 80 7.689 9.578 1.990 606 HA SER 80 HA SER 80 5.193 9.626 3.582 607 1HB SER 80 1HB SER 80 5.308 10.558 0.731 608 2HB SER 80 2HB SER 80 3.884 10.348 1.659 609 HG SER 80 HG SER 80 5.798 12.378 2.062 610 H ILE 81 H ILE 81 3.855 8.022 2.987 611 HA ILE 81 HA ILE 81 5.023 5.600 1.896 612 HB ILE 81 HB ILE 81 2.209 6.335 2.806 613 1HG1 ILE 81 1HG1 ILE 81 4.096 4.352 4.119 614 2HG1 ILE 81 2HG1 ILE 81 4.325 6.058 4.427 615 1HG2 ILE 81 1HG2 ILE 81 1.972 4.583 1.133 616 2HG2 ILE 81 2HG2 ILE 81 3.249 3.621 1.905 617 3HG2 ILE 81 3HG2 ILE 81 1.705 3.906 2.738 618 1HD1 ILE 81 1HD1 ILE 81 1.706 4.645 4.983 619 2HD1 ILE 81 2HD1 ILE 81 2.976 5.030 6.171 620 3HD1 ILE 81 3HD1 ILE 81 2.131 6.339 5.349 621 HA PRO 82 HA PRO 82 2.027 6.675 -1.726 622 1HB PRO 82 1HB PRO 82 1.514 9.371 -2.239 623 2HB PRO 82 2HB PRO 82 0.429 8.287 -1.343 624 1HG PRO 82 1HG PRO 82 2.417 10.217 -0.215 625 2HG PRO 82 2HG PRO 82 0.751 9.901 0.339 626 1HD PRO 82 1HD PRO 82 2.756 8.835 1.631 627 2HD PRO 82 2HD PRO 82 1.391 7.847 1.386 628 H LEU 83 H LEU 83 4.676 8.862 -0.796 629 HA LEU 83 HA LEU 83 5.591 9.344 -3.461 630 1HB LEU 83 1HB LEU 83 6.751 9.648 -0.671 631 2HB LEU 83 2HB LEU 83 7.828 9.660 -2.051 632 HG LEU 83 HG LEU 83 6.552 11.484 -3.105 633 1HD1 LEU 83 1HD1 LEU 83 5.138 12.176 -0.542 634 2HD1 LEU 83 2HD1 LEU 83 4.361 11.108 -1.743 635 3HD1 LEU 83 3HD1 LEU 83 4.875 12.713 -2.188 636 1HD2 LEU 83 1HD2 LEU 83 7.570 12.079 -0.291 637 2HD2 LEU 83 2HD2 LEU 83 7.358 13.275 -1.587 638 3HD2 LEU 83 3HD2 LEU 83 8.549 11.999 -1.784 639 H LEU 84 H LEU 84 6.279 6.787 -1.056 640 HA LEU 84 HA LEU 84 8.322 5.552 -2.754 641 1HB LEU 84 1HB LEU 84 7.782 5.531 -0.064 642 2HB LEU 84 2HB LEU 84 6.728 4.186 -0.535 643 HG LEU 84 HG LEU 84 8.667 3.172 0.217 644 1HD1 LEU 84 1HD1 LEU 84 9.905 2.179 -1.613 645 2HD1 LEU 84 2HD1 LEU 84 9.374 3.415 -2.725 646 3HD1 LEU 84 3HD1 LEU 84 8.180 2.283 -2.061 647 1HD2 LEU 84 1HD2 LEU 84 10.933 3.880 -0.242 648 2HD2 LEU 84 2HD2 LEU 84 10.001 5.198 0.435 649 3HD2 LEU 84 3HD2 LEU 84 10.341 5.169 -1.322 650 H ILE 85 H ILE 85 4.782 5.158 -2.223 651 HA ILE 85 HA ILE 85 4.449 2.639 -3.404 652 HB ILE 85 HB ILE 85 2.666 5.111 -3.494 653 1HG1 ILE 85 1HG1 ILE 85 2.894 4.149 -1.262 654 2HG1 ILE 85 2HG1 ILE 85 1.281 3.925 -1.876 655 1HG2 ILE 85 1HG2 ILE 85 0.812 3.476 -4.153 656 2HG2 ILE 85 2HG2 ILE 85 1.972 3.911 -5.427 657 3HG2 ILE 85 3HG2 ILE 85 2.120 2.364 -4.609 658 1HD1 ILE 85 1HD1 ILE 85 2.003 1.971 -0.668 659 2HD1 ILE 85 2HD1 ILE 85 1.871 1.526 -2.380 660 3HD1 ILE 85 3HD1 ILE 85 3.475 1.836 -1.644 661 H ASP 86 H ASP 86 4.801 5.833 -5.109 662 HA ASP 86 HA ASP 86 4.260 4.623 -7.626 663 1HB ASP 86 1HB ASP 86 4.496 7.158 -6.918 664 2HB ASP 86 2HB ASP 86 6.138 6.984 -7.530 665 H HIS 87 H HIS 87 7.274 4.944 -5.819 666 HA HIS 87 HA HIS 87 8.995 4.035 -7.926 667 1HB HIS 87 1HB HIS 87 9.392 3.969 -4.918 668 2HB HIS 87 2HB HIS 87 10.631 3.745 -6.125 669 HD1 HIS 87 HD1 HIS 87 8.505 6.738 -4.721 670 HD2 HIS 87 HD2 HIS 87 11.678 5.702 -7.227 671 HE1 HIS 87 HE1 HIS 87 9.730 8.881 -5.171 672 H LEU 88 H LEU 88 6.790 2.264 -5.797 673 HA LEU 88 HA LEU 88 8.134 -0.317 -6.347 674 1HB LEU 88 1HB LEU 88 5.781 0.659 -4.731 675 2HB LEU 88 2HB LEU 88 5.993 -1.039 -5.105 676 HG LEU 88 HG LEU 88 7.066 0.561 -3.043 677 1HD1 LEU 88 1HD1 LEU 88 7.654 -2.321 -3.896 678 2HD1 LEU 88 2HD1 LEU 88 6.277 -1.785 -2.920 679 3HD1 LEU 88 3HD1 LEU 88 7.930 -1.702 -2.248 680 1HD2 LEU 88 1HD2 LEU 88 9.120 1.122 -4.232 681 2HD2 LEU 88 2HD2 LEU 88 9.423 -0.585 -4.585 682 3HD2 LEU 88 3HD2 LEU 88 9.452 -0.006 -2.927 683 H LEU 89 H LEU 89 5.236 1.597 -7.101 684 HA LEU 89 HA LEU 89 3.944 -0.456 -8.577 685 1HB LEU 89 1HB LEU 89 3.200 1.911 -7.483 686 2HB LEU 89 2HB LEU 89 3.298 2.427 -9.158 687 HG LEU 89 HG LEU 89 1.900 -0.169 -8.518 688 1HD1 LEU 89 1HD1 LEU 89 -0.190 1.115 -7.992 689 2HD1 LEU 89 2HD1 LEU 89 0.785 2.595 -7.908 690 3HD1 LEU 89 3HD1 LEU 89 1.090 1.259 -6.765 691 1HD2 LEU 89 1HD2 LEU 89 0.300 0.517 -10.159 692 2HD2 LEU 89 2HD2 LEU 89 1.955 0.469 -10.824 693 3HD2 LEU 89 3HD2 LEU 89 1.184 2.039 -10.424 694 H SER 90 H SER 90 5.984 2.294 -9.521 695 HA SER 90 HA SER 90 5.485 1.865 -12.285 696 1HB SER 90 1HB SER 90 6.007 4.041 -11.062 697 2HB SER 90 2HB SER 90 7.701 3.532 -10.982 698 HG SER 90 HG SER 90 6.911 4.959 -12.700 699 H THR 91 H THR 91 7.817 0.551 -9.992 700 HA THR 91 HA THR 91 9.606 -0.333 -12.195 701 HB THR 91 HB THR 91 11.383 -0.297 -10.734 702 HG1 THR 91 HG1 THR 91 10.997 -1.359 -9.087 703 1HG2 THR 91 1HG2 THR 91 11.362 1.824 -9.445 704 2HG2 THR 91 2HG2 THR 91 9.632 1.976 -9.703 705 3HG2 THR 91 3HG2 THR 91 10.729 2.019 -11.096 706 H GLN 92 H GLN 92 7.274 -1.474 -9.911 707 HA GLN 92 HA GLN 92 6.434 -3.548 -9.512 708 1HB GLN 92 1HB GLN 92 8.199 -4.606 -11.767 709 2HB GLN 92 2HB GLN 92 6.837 -5.416 -11.028 710 1HG GLN 92 1HG GLN 92 6.552 -2.732 -12.481 711 2HG GLN 92 2HG GLN 92 6.367 -4.298 -13.251 712 1HE2 GLN 92 2HE2 GLN 92 4.820 -1.993 -11.030 713 2HE2 GLN 92 1HE2 GLN 92 3.585 -3.052 -10.447 714 H GLN 93 H GLN 93 8.605 -2.481 -8.083 715 HA GLN 93 HA GLN 93 10.558 -4.502 -7.524 716 1HB GLN 93 1HB GLN 93 9.782 -1.930 -6.287 717 2HB GLN 93 2HB GLN 93 10.462 -3.110 -5.143 718 1HG GLN 93 1HG GLN 93 12.501 -3.324 -6.388 719 2HG GLN 93 2HG GLN 93 11.871 -2.339 -7.713 720 1HE2 GLN 93 2HE2 GLN 93 11.217 -0.121 -7.241 721 2HE2 GLN 93 1HE2 GLN 93 12.179 0.802 -6.098 722 HA PRO 94 HA PRO 94 8.101 -7.176 -4.956 723 1HB PRO 94 1HB PRO 94 10.078 -8.744 -3.841 724 2HB PRO 94 2HB PRO 94 9.659 -8.825 -5.572 725 1HG PRO 94 1HG PRO 94 11.909 -7.246 -4.252 726 2HG PRO 94 2HG PRO 94 11.997 -8.289 -5.702 727 1HD PRO 94 1HD PRO 94 11.691 -5.515 -5.864 728 2HD PRO 94 2HD PRO 94 10.987 -6.658 -7.047 729 H LEU 95 H LEU 95 7.343 -7.388 -2.886 730 HA LEU 95 HA LEU 95 8.149 -5.325 -1.001 731 1HB LEU 95 1HB LEU 95 6.116 -7.571 -0.715 732 2HB LEU 95 2HB LEU 95 6.317 -6.219 0.376 733 HG LEU 95 HG LEU 95 5.222 -6.157 -2.417 734 1HD1 LEU 95 1HD1 LEU 95 3.342 -5.139 -1.165 735 2HD1 LEU 95 2HD1 LEU 95 4.275 -5.260 0.336 736 3HD1 LEU 95 3HD1 LEU 95 3.758 -6.728 -0.522 737 1HD2 LEU 95 1HD2 LEU 95 6.749 -4.242 -2.301 738 2HD2 LEU 95 2HD2 LEU 95 6.002 -3.756 -0.756 739 3HD2 LEU 95 3HD2 LEU 95 5.058 -3.707 -2.262 740 H THR 96 H THR 96 8.802 -8.770 -1.123 741 HA THR 96 HA THR 96 10.754 -8.544 0.893 742 HB THR 96 HB THR 96 9.166 -8.608 2.622 743 HG1 THR 96 HG1 THR 96 10.498 -10.143 3.233 744 1HG2 THR 96 1HG2 THR 96 7.580 -10.803 1.244 745 2HG2 THR 96 2HG2 THR 96 7.082 -9.079 1.403 746 3HG2 THR 96 3HG2 THR 96 7.246 -10.083 2.824 747 H LYS 97 H LYS 97 12.095 -10.353 0.826 748 HA LYS 97 HA LYS 97 11.965 -12.120 -1.442 749 1HB LYS 97 1HB LYS 97 13.681 -12.398 1.055 750 2HB LYS 97 2HB LYS 97 13.966 -13.115 -0.536 751 1HG LYS 97 1HG LYS 97 14.050 -10.154 0.119 752 2HG LYS 97 2HG LYS 97 15.445 -11.210 -0.070 753 1HD LYS 97 1HD LYS 97 15.292 -11.298 -2.377 754 2HD LYS 97 2HD LYS 97 13.544 -10.969 -2.412 755 1HE LYS 97 1HE LYS 97 13.845 -8.688 -1.732 756 2HE LYS 97 2HE LYS 97 15.559 -8.940 -1.417 757 1HZ LYS 97 1HZ LYS 97 15.002 -7.789 -3.502 758 2HZ LYS 97 2HZ LYS 97 14.424 -9.181 -4.134 759 3HZ LYS 97 3HZ LYS 97 16.000 -9.074 -3.688 760 H LYS 98 H LYS 98 9.762 -12.226 0.726 761 HA LYS 98 HA LYS 98 9.731 -15.192 0.966 762 1HB LYS 98 1HB LYS 98 8.428 -13.064 2.733 763 2HB LYS 98 2HB LYS 98 8.175 -14.804 2.912 764 1HG LYS 98 1HG LYS 98 10.868 -13.404 3.176 765 2HG LYS 98 2HG LYS 98 9.832 -13.924 4.513 766 1HD LYS 98 1HD LYS 98 10.074 -16.251 3.899 767 2HD LYS 98 2HD LYS 98 10.901 -15.861 2.400 768 1HE LYS 98 1HE LYS 98 12.534 -16.588 4.080 769 2HE LYS 98 2HE LYS 98 12.804 -14.915 3.580 770 1HZ LYS 98 1HZ LYS 98 12.997 -15.070 5.945 771 2HZ LYS 98 2HZ LYS 98 11.497 -15.751 6.104 772 3HZ LYS 98 3HZ LYS 98 11.684 -14.193 5.593 773 H SER 99 H SER 99 8.304 -12.736 -0.849 774 HA SER 99 HA SER 99 6.727 -14.869 -1.793 775 1HB SER 99 1HB SER 99 5.347 -13.832 0.166 776 2HB SER 99 2HB SER 99 5.023 -12.497 -0.923 777 HG SER 99 HG SER 99 4.465 -15.255 -1.381 778 H GLY 100 H GLY 100 8.422 -12.107 -2.513 779 1HA GLY 100 1HA GLY 100 8.718 -10.787 -4.308 780 2HA GLY 100 2HA GLY 100 8.113 -12.134 -5.255 781 H VAL 101 H VAL 101 6.014 -10.398 -2.930 782 HA VAL 101 HA VAL 101 3.929 -9.898 -4.742 783 HB VAL 101 HB VAL 101 4.662 -8.512 -2.165 784 1HG1 VAL 101 1HG1 VAL 101 2.382 -8.127 -1.805 785 2HG1 VAL 101 2HG1 VAL 101 2.767 -7.513 -3.407 786 3HG1 VAL 101 3HG1 VAL 101 1.890 -9.042 -3.268 787 1HG2 VAL 101 1HG2 VAL 101 4.372 -10.334 -1.020 788 2HG2 VAL 101 2HG2 VAL 101 2.725 -10.541 -1.642 789 3HG2 VAL 101 3HG2 VAL 101 4.055 -11.308 -2.484 790 H VAL 102 H VAL 102 3.489 -8.137 -6.157 791 HA VAL 102 HA VAL 102 5.176 -5.724 -5.812 792 HB VAL 102 HB VAL 102 5.676 -5.536 -8.000 793 1HG1 VAL 102 1HG1 VAL 102 6.860 -7.456 -7.027 794 2HG1 VAL 102 2HG1 VAL 102 5.708 -8.528 -7.875 795 3HG1 VAL 102 3HG1 VAL 102 6.770 -7.430 -8.784 796 1HG2 VAL 102 1HG2 VAL 102 4.610 -6.972 -9.862 797 2HG2 VAL 102 2HG2 VAL 102 3.262 -7.126 -8.698 798 3HG2 VAL 102 3HG2 VAL 102 3.787 -5.544 -9.254 799 H LEU 103 H LEU 103 4.067 -3.713 -6.589 800 HA LEU 103 HA LEU 103 1.192 -3.704 -6.030 801 1HB LEU 103 1HB LEU 103 3.073 -1.533 -6.983 802 2HB LEU 103 2HB LEU 103 1.441 -1.295 -6.384 803 HG LEU 103 HG LEU 103 3.894 -2.149 -4.776 804 1HD1 LEU 103 1HD1 LEU 103 3.626 0.040 -3.745 805 2HD1 LEU 103 2HD1 LEU 103 2.132 0.303 -4.687 806 3HD1 LEU 103 3HD1 LEU 103 3.693 0.232 -5.515 807 1HD2 LEU 103 1HD2 LEU 103 1.104 -1.474 -3.693 808 2HD2 LEU 103 2HD2 LEU 103 2.516 -2.092 -2.800 809 3HD2 LEU 103 3HD2 LEU 103 1.648 -3.130 -3.939 810 H HIS 104 H HIS 104 -0.327 -3.613 -7.676 811 HA HIS 104 HA HIS 104 0.628 -3.242 -10.491 812 1HB HIS 104 1HB HIS 104 -0.024 -5.705 -9.198 813 2HB HIS 104 2HB HIS 104 -1.327 -5.376 -10.339 814 HD1 HIS 104 HD1 HIS 104 0.848 -4.116 -12.608 815 HD2 HIS 104 HD2 HIS 104 0.728 -7.837 -10.589 816 HE1 HIS 104 HE1 HIS 104 2.074 -5.758 -14.059 817 H ARG 105 H ARG 105 -2.198 -3.477 -8.242 818 HA ARG 105 HA ARG 105 -3.530 -1.462 -9.917 819 1HB ARG 105 1HB ARG 105 -4.400 -3.869 -10.428 820 2HB ARG 105 2HB ARG 105 -5.032 -3.843 -8.810 821 1HG ARG 105 1HG ARG 105 -6.876 -3.266 -9.774 822 2HG ARG 105 2HG ARG 105 -6.271 -1.644 -9.520 823 1HD ARG 105 1HD ARG 105 -5.693 -3.186 -12.092 824 2HD ARG 105 2HD ARG 105 -7.247 -2.445 -11.745 825 HE ARG 105 HE ARG 105 -5.207 -0.538 -11.275 826 1HH1 ARG 105 2HH1 ARG 105 -7.026 -1.970 -14.059 827 2HH1 ARG 105 1HH1 ARG 105 -6.904 -0.545 -14.991 828 1HH2 ARG 105 2HH2 ARG 105 -5.272 1.269 -12.372 829 2HH2 ARG 105 1HH2 ARG 105 -6.090 1.451 -13.897 830 H ALA 106 H ALA 106 -4.820 0.008 -8.644 831 HA ALA 106 HA ALA 106 -4.512 -0.301 -5.686 832 1HB ALA 106 1HB ALA 106 -4.691 2.182 -7.441 833 2HB ALA 106 2HB ALA 106 -4.627 2.155 -5.659 834 3HB ALA 106 3HB ALA 106 -3.241 1.583 -6.619 835 H VAL 107 H VAL 107 -6.445 -0.618 -4.637 836 HA VAL 107 HA VAL 107 -8.994 -0.435 -5.982 837 HB VAL 107 HB VAL 107 -8.405 -0.514 -2.985 838 1HG1 VAL 107 1HG1 VAL 107 -10.757 -0.008 -3.653 839 2HG1 VAL 107 2HG1 VAL 107 -10.803 -1.521 -4.594 840 3HG1 VAL 107 3HG1 VAL 107 -10.614 -1.536 -2.823 841 1HG2 VAL 107 1HG2 VAL 107 -7.217 -2.407 -3.876 842 2HG2 VAL 107 2HG2 VAL 107 -8.734 -2.980 -3.173 843 3HG2 VAL 107 3HG2 VAL 107 -8.584 -2.840 -4.935 844 HA PRO 108 HA PRO 108 -9.413 3.950 -4.803 845 1HB PRO 108 1HB PRO 108 -11.744 4.486 -6.103 846 2HB PRO 108 2HB PRO 108 -10.182 4.309 -6.965 847 1HG PRO 108 1HG PRO 108 -12.452 2.316 -6.736 848 2HG PRO 108 2HG PRO 108 -11.337 2.593 -8.109 849 1HD PRO 108 1HD PRO 108 -11.176 0.613 -6.060 850 2HD PRO 108 2HD PRO 108 -9.926 0.990 -7.286 851 H SER 109 H SER 109 -10.576 4.976 -3.207 852 HA SER 109 HA SER 109 -12.965 3.602 -2.080 853 1HB SER 109 1HB SER 109 -10.693 3.304 -0.841 854 2HB SER 109 2HB SER 109 -10.893 4.991 -0.362 855 HG SER 109 HG SER 109 -12.197 4.338 1.082 856 H GLY 110 H GLY 110 -11.824 6.399 -3.552 857 1HA GLY 110 1HA GLY 110 -12.685 8.565 -3.665 858 2HA GLY 110 2HA GLY 110 -13.685 8.283 -2.225 859 HA PRO 111 HA PRO 111 -9.334 9.970 -1.395 860 1HB PRO 111 1HB PRO 111 -9.704 12.629 -0.899 861 2HB PRO 111 2HB PRO 111 -9.629 11.960 -2.560 862 1HG PRO 111 1HG PRO 111 -12.105 12.558 -0.906 863 2HG PRO 111 2HG PRO 111 -11.753 13.076 -2.591 864 1HD PRO 111 1HD PRO 111 -13.249 10.857 -2.041 865 2HD PRO 111 2HD PRO 111 -12.116 10.893 -3.427 866 H SER 112 H SER 112 -12.323 10.262 0.544 867 HA SER 112 HA SER 112 -10.818 11.063 2.953 868 1HB SER 112 1HB SER 112 -13.751 10.322 2.573 869 2HB SER 112 2HB SER 112 -13.038 11.114 3.976 870 HG SER 112 HG SER 112 -13.936 12.694 2.740 871 H SER 113 H SER 113 -11.413 9.854 5.021 872 HA SER 113 HA SER 113 -11.660 6.958 4.631 873 1HB SER 113 1HB SER 113 -9.719 6.464 5.922 874 2HB SER 113 2HB SER 113 -9.210 7.475 4.589 875 HG SER 113 HG SER 113 -9.362 7.971 7.345 876 H GLY 114 H GLY 114 -12.115 5.852 6.742 877 1HA GLY 114 1HA GLY 114 -12.727 7.476 9.063 878 2HA GLY 114 2HA GLY 114 -14.164 6.812 8.246 Start of MODEL 12 1 1H GLY 1 H GLY 1 -13.985 8.556 -10.957 2 1HA GLY 1 1HA GLY 1 -11.447 7.077 -10.776 3 2HA GLY 1 2HA GLY 1 -13.036 6.354 -10.612 4 H SER 2 H SER 2 -13.542 8.446 -13.197 5 HA SER 2 HA SER 2 -13.187 6.243 -15.083 6 1HB SER 2 1HB SER 2 -14.509 8.967 -15.334 7 2HB SER 2 2HB SER 2 -14.708 7.572 -16.415 8 HG SER 2 HG SER 2 -16.305 8.041 -14.579 9 H SER 3 H SER 3 -11.555 9.168 -14.204 10 HA SER 3 HA SER 3 -9.957 9.094 -16.675 11 1HB SER 3 1HB SER 3 -11.175 11.532 -15.300 12 2HB SER 3 2HB SER 3 -9.953 11.607 -16.587 13 HG SER 3 HG SER 3 -12.358 11.703 -17.137 14 H GLY 4 H GLY 4 -7.826 9.048 -16.222 15 1HA GLY 4 1HA GLY 4 -5.874 8.954 -14.951 16 2HA GLY 4 2HA GLY 4 -6.731 9.581 -13.536 17 H SER 5 H SER 5 -4.988 7.351 -13.459 18 HA SER 5 HA SER 5 -6.787 5.185 -12.533 19 1HB SER 5 1HB SER 5 -6.183 4.760 -14.914 20 2HB SER 5 2HB SER 5 -4.474 4.736 -14.462 21 HG SER 5 HG SER 5 -4.692 2.841 -13.576 22 H SER 6 H SER 6 -3.391 6.484 -12.745 23 HA SER 6 HA SER 6 -3.111 5.995 -9.870 24 1HB SER 6 1HB SER 6 -0.946 4.872 -10.167 25 2HB SER 6 2HB SER 6 -2.239 3.951 -10.936 26 HG SER 6 HG SER 6 -0.038 5.188 -12.001 27 H GLY 7 H GLY 7 -0.938 6.968 -9.167 28 1HA GLY 7 1HA GLY 7 0.763 8.698 -9.699 29 2HA GLY 7 2HA GLY 7 -0.532 9.612 -10.501 30 H GLU 8 H GLU 8 -0.866 11.311 -9.156 31 HA GLU 8 HA GLU 8 -1.334 12.573 -7.347 32 1HB GLU 8 1HB GLU 8 -2.893 10.111 -6.454 33 2HB GLU 8 2HB GLU 8 -3.064 11.750 -5.815 34 1HG GLU 8 1HG GLU 8 -3.658 12.570 -8.108 35 2HG GLU 8 2HG GLU 8 -3.535 10.928 -8.731 36 H VAL 9 H VAL 9 1.103 11.037 -7.411 37 HA VAL 9 HA VAL 9 1.831 9.761 -5.079 38 HB VAL 9 HB VAL 9 3.684 11.442 -6.840 39 1HG1 VAL 9 1HG1 VAL 9 4.137 8.859 -5.314 40 2HG1 VAL 9 2HG1 VAL 9 5.320 9.648 -6.374 41 3HG1 VAL 9 3HG1 VAL 9 4.772 10.468 -4.902 42 1HG2 VAL 9 1HG2 VAL 9 2.467 8.731 -7.468 43 2HG2 VAL 9 2HG2 VAL 9 2.374 10.210 -8.434 44 3HG2 VAL 9 3HG2 VAL 9 3.911 9.394 -8.273 45 H GLN 10 H GLN 10 2.468 13.146 -6.026 46 HA GLN 10 HA GLN 10 3.846 13.703 -3.581 47 1HB GLN 10 1HB GLN 10 2.928 15.573 -5.800 48 2HB GLN 10 2HB GLN 10 4.095 15.972 -4.538 49 1HG GLN 10 1HG GLN 10 4.402 13.788 -6.630 50 2HG GLN 10 2HG GLN 10 5.199 15.363 -6.660 51 1HE2 GLN 10 2HE2 GLN 10 6.087 12.311 -6.228 52 2HE2 GLN 10 1HE2 GLN 10 7.244 12.500 -4.918 53 H LYS 11 H LYS 11 0.562 13.683 -4.314 54 HA LYS 11 HA LYS 11 -0.487 15.776 -2.615 55 1HB LYS 11 1HB LYS 11 -1.579 13.006 -3.269 56 2HB LYS 11 2HB LYS 11 -2.410 14.173 -2.303 57 1HG LYS 11 1HG LYS 11 -2.110 15.779 -4.365 58 2HG LYS 11 2HG LYS 11 -1.839 14.275 -5.270 59 1HD LYS 11 1HD LYS 11 -4.025 13.402 -4.431 60 2HD LYS 11 2HD LYS 11 -4.197 14.852 -3.427 61 1HE LYS 11 1HE LYS 11 -4.041 16.168 -5.661 62 2HE LYS 11 2HE LYS 11 -4.467 14.606 -6.419 63 1HZ LYS 11 1HZ LYS 11 -6.430 15.912 -5.918 64 2HZ LYS 11 2HZ LYS 11 -6.037 16.001 -4.316 65 3HZ LYS 11 3HZ LYS 11 -6.430 14.569 -4.993 66 HA PRO 12 HA PRO 12 0.433 14.135 1.469 67 1HB PRO 12 1HB PRO 12 -1.901 14.471 2.836 68 2HB PRO 12 2HB PRO 12 -0.791 15.809 2.468 69 1HG PRO 12 1HG PRO 12 -3.293 14.986 0.970 70 2HG PRO 12 2HG PRO 12 -2.816 16.639 1.461 71 1HD PRO 12 1HD PRO 12 -2.380 15.745 -1.035 72 2HD PRO 12 2HD PRO 12 -1.181 16.762 -0.260 73 H LEU 13 H LEU 13 -0.322 12.316 2.888 74 HA LEU 13 HA LEU 13 -1.295 10.044 1.409 75 1HB LEU 13 1HB LEU 13 0.272 10.047 3.292 76 2HB LEU 13 2HB LEU 13 -1.023 10.453 4.403 77 HG LEU 13 HG LEU 13 -1.260 7.899 2.719 78 1HD1 LEU 13 1HD1 LEU 13 1.007 7.987 3.816 79 2HD1 LEU 13 2HD1 LEU 13 -0.042 6.683 4.408 80 3HD1 LEU 13 3HD1 LEU 13 0.227 8.162 5.371 81 1HD2 LEU 13 1HD2 LEU 13 -3.166 8.646 4.193 82 2HD2 LEU 13 2HD2 LEU 13 -2.090 8.591 5.594 83 3HD2 LEU 13 3HD2 LEU 13 -2.463 7.099 4.681 84 H HIS 14 H HIS 14 -2.847 12.577 3.339 85 HA HIS 14 HA HIS 14 -5.213 11.026 3.672 86 1HB HIS 14 1HB HIS 14 -6.085 12.935 4.885 87 2HB HIS 14 2HB HIS 14 -4.407 12.692 5.322 88 HD1 HIS 14 HD1 HIS 14 -6.533 15.065 3.144 89 HD2 HIS 14 HD2 HIS 14 -2.839 14.787 5.145 90 HE1 HIS 14 HE1 HIS 14 -5.439 17.362 2.961 91 H GLU 15 H GLU 15 -4.289 12.209 0.814 92 HA GLU 15 HA GLU 15 -7.089 12.841 -0.061 93 1HB GLU 15 1HB GLU 15 -4.419 13.925 -1.021 94 2HB GLU 15 2HB GLU 15 -5.777 13.797 -2.123 95 1HG GLU 15 1HG GLU 15 -7.165 15.190 -0.567 96 2HG GLU 15 2HG GLU 15 -5.671 15.534 0.332 97 H GLN 16 H GLN 16 -5.011 10.335 0.224 98 HA GLN 16 HA GLN 16 -4.659 9.641 -2.561 99 1HB GLN 16 1HB GLN 16 -4.118 8.128 0.020 100 2HB GLN 16 2HB GLN 16 -3.598 7.709 -1.611 101 1HG GLN 16 1HG GLN 16 -2.720 10.211 -0.313 102 2HG GLN 16 2HG GLN 16 -1.844 8.680 -0.170 103 1HE2 GLN 16 2HE2 GLN 16 -1.033 11.316 -1.431 104 2HE2 GLN 16 1HE2 GLN 16 -0.688 10.897 -3.110 105 H LEU 17 H LEU 17 -4.980 7.123 -3.052 106 HA LEU 17 HA LEU 17 -7.886 6.763 -3.072 107 1HB LEU 17 1HB LEU 17 -7.234 5.276 -5.061 108 2HB LEU 17 2HB LEU 17 -7.247 7.002 -5.257 109 HG LEU 17 HG LEU 17 -4.621 5.670 -4.547 110 1HD1 LEU 17 1HD1 LEU 17 -4.174 5.079 -6.878 111 2HD1 LEU 17 2HD1 LEU 17 -5.807 5.588 -7.338 112 3HD1 LEU 17 3HD1 LEU 17 -5.586 4.182 -6.278 113 1HD2 LEU 17 1HD2 LEU 17 -3.676 7.368 -6.041 114 2HD2 LEU 17 2HD2 LEU 17 -4.720 8.161 -4.856 115 3HD2 LEU 17 3HD2 LEU 17 -5.297 7.904 -6.511 116 H TRP 18 H TRP 18 -4.970 4.639 -3.097 117 HA TRP 18 HA TRP 18 -6.310 2.315 -2.163 118 1HB TRP 18 1HB TRP 18 -3.930 1.515 -1.850 119 2HB TRP 18 2HB TRP 18 -4.453 1.922 -3.429 120 HD1 TRP 18 HD1 TRP 18 -2.998 3.680 -4.775 121 HE1 TRP 18 HE1 TRP 18 -1.167 5.322 -4.272 122 HE3 TRP 18 HE3 TRP 18 -2.887 3.179 0.259 123 HZ2 TRP 18 HZ2 TRP 18 0.090 6.333 -2.032 124 HZ3 TRP 18 HZ3 TRP 18 -1.443 4.628 1.646 125 HH2 TRP 18 HH2 TRP 18 0.103 6.220 0.526 126 H TYR 19 H TYR 19 -5.535 5.111 -0.439 127 HA TYR 19 HA TYR 19 -5.043 3.832 2.126 128 1HB TYR 19 1HB TYR 19 -4.032 5.983 1.619 129 2HB TYR 19 2HB TYR 19 -5.625 6.707 1.433 130 HD1 TYR 19 HD1 TYR 19 -5.673 8.287 3.203 131 HD2 TYR 19 HD2 TYR 19 -4.521 4.203 4.088 132 HE1 TYR 19 HE1 TYR 19 -5.894 8.723 5.629 133 HE2 TYR 19 HE2 TYR 19 -4.730 4.626 6.445 134 HH TYR 19 HH TYR 19 -5.503 6.226 8.171 135 H HIS 20 H HIS 20 -7.012 2.428 2.254 136 HA HIS 20 HA HIS 20 -9.656 3.698 2.162 137 1HB HIS 20 1HB HIS 20 -8.777 0.873 2.764 138 2HB HIS 20 2HB HIS 20 -10.420 1.409 3.077 139 HD1 HIS 20 HD1 HIS 20 -12.067 1.037 1.036 140 HD2 HIS 20 HD2 HIS 20 -7.988 1.489 -0.019 141 HE1 HIS 20 HE1 HIS 20 -11.926 0.725 -1.421 142 H GLY 21 H GLY 21 -7.290 3.507 4.694 143 1HA GLY 21 1HA GLY 21 -7.570 5.050 6.414 144 2HA GLY 21 2HA GLY 21 -9.265 4.627 6.563 145 H ALA 22 H ALA 22 -9.605 3.448 8.243 146 HA ALA 22 HA ALA 22 -7.812 1.276 9.211 147 1HB ALA 22 1HB ALA 22 -8.316 3.014 10.938 148 2HB ALA 22 2HB ALA 22 -10.052 2.750 10.672 149 3HB ALA 22 3HB ALA 22 -9.043 1.441 11.329 150 H ILE 23 H ILE 23 -8.450 -0.569 8.204 151 HA ILE 23 HA ILE 23 -11.306 -1.238 8.193 152 HB ILE 23 HB ILE 23 -11.570 -1.237 5.999 153 1HG1 ILE 23 1HG1 ILE 23 -9.115 -3.001 5.706 154 2HG1 ILE 23 2HG1 ILE 23 -10.788 -3.519 6.022 155 1HG2 ILE 23 1HG2 ILE 23 -10.069 0.712 5.881 156 2HG2 ILE 23 2HG2 ILE 23 -8.671 -0.382 5.584 157 3HG2 ILE 23 3HG2 ILE 23 -10.010 -0.261 4.441 158 1HD1 ILE 23 1HD1 ILE 23 -9.788 -2.250 3.488 159 2HD1 ILE 23 2HD1 ILE 23 -10.344 -3.906 3.750 160 3HD1 ILE 23 3HD1 ILE 23 -11.496 -2.554 3.889 161 HA PRO 24 HA PRO 24 -9.422 -4.848 9.950 162 1HB PRO 24 1HB PRO 24 -11.416 -6.719 9.642 163 2HB PRO 24 2HB PRO 24 -11.529 -5.363 10.824 164 1HG PRO 24 1HG PRO 24 -12.636 -5.620 8.031 165 2HG PRO 24 2HG PRO 24 -13.493 -5.048 9.495 166 1HD PRO 24 1HD PRO 24 -12.432 -3.322 7.653 167 2HD PRO 24 2HD PRO 24 -12.410 -2.944 9.394 168 H ARG 25 H ARG 25 -8.658 -7.000 9.451 169 HA ARG 25 HA ARG 25 -7.708 -7.377 6.792 170 1HB ARG 25 1HB ARG 25 -6.873 -9.480 7.541 171 2HB ARG 25 2HB ARG 25 -6.676 -8.338 8.866 172 1HG ARG 25 1HG ARG 25 -8.775 -9.364 9.902 173 2HG ARG 25 2HG ARG 25 -8.774 -10.555 8.583 174 1HD ARG 25 1HD ARG 25 -6.423 -11.201 9.281 175 2HD ARG 25 2HD ARG 25 -6.637 -10.137 10.677 176 HE ARG 25 HE ARG 25 -8.792 -12.077 10.381 177 1HH1 ARG 25 2HH1 ARG 25 -5.689 -11.443 12.020 178 2HH1 ARG 25 1HH1 ARG 25 -5.832 -12.807 13.075 179 1HH2 ARG 25 2HH2 ARG 25 -8.941 -13.877 11.870 180 2HH2 ARG 25 1HH2 ARG 25 -7.667 -14.133 13.014 181 H ALA 26 H ALA 26 -10.747 -8.324 8.168 182 HA ALA 26 HA ALA 26 -11.294 -10.533 6.393 183 1HB ALA 26 1HB ALA 26 -13.027 -8.748 8.157 184 2HB ALA 26 2HB ALA 26 -13.609 -10.193 7.331 185 3HB ALA 26 3HB ALA 26 -12.346 -10.331 8.593 186 H GLU 27 H GLU 27 -11.978 -7.015 6.340 187 HA GLU 27 HA GLU 27 -13.804 -7.089 4.140 188 1HB GLU 27 1HB GLU 27 -12.198 -5.025 5.635 189 2HB GLU 27 2HB GLU 27 -13.030 -4.562 4.115 190 1HG GLU 27 1HG GLU 27 -15.130 -5.569 5.138 191 2HG GLU 27 2HG GLU 27 -14.206 -5.760 6.623 192 H VAL 28 H VAL 28 -10.308 -6.592 4.363 193 HA VAL 28 HA VAL 28 -9.482 -5.628 2.067 194 HB VAL 28 HB VAL 28 -8.376 -8.138 3.407 195 1HG1 VAL 28 1HG1 VAL 28 -6.900 -6.297 1.496 196 2HG1 VAL 28 2HG1 VAL 28 -6.221 -7.682 2.399 197 3HG1 VAL 28 3HG1 VAL 28 -7.418 -7.939 1.121 198 1HG2 VAL 28 1HG2 VAL 28 -8.484 -6.138 4.866 199 2HG2 VAL 28 2HG2 VAL 28 -6.823 -6.589 4.517 200 3HG2 VAL 28 3HG2 VAL 28 -7.569 -5.201 3.680 201 H ALA 29 H ALA 29 -10.108 -9.197 2.125 202 HA ALA 29 HA ALA 29 -9.406 -9.485 -0.606 203 1HB ALA 29 1HB ALA 29 -11.411 -11.288 0.723 204 2HB ALA 29 2HB ALA 29 -10.261 -11.654 -0.592 205 3HB ALA 29 3HB ALA 29 -9.655 -11.368 1.042 206 H GLU 30 H GLU 30 -12.340 -8.122 0.644 207 HA GLU 30 HA GLU 30 -13.981 -8.771 -1.691 208 1HB GLU 30 1HB GLU 30 -15.722 -8.172 -0.402 209 2HB GLU 30 2HB GLU 30 -14.565 -8.421 0.887 210 1HG GLU 30 1HG GLU 30 -14.121 -5.808 0.580 211 2HG GLU 30 2HG GLU 30 -15.708 -5.841 -0.164 212 H LEU 31 H LEU 31 -11.612 -6.474 -0.864 213 HA LEU 31 HA LEU 31 -12.621 -4.361 -2.692 214 1HB LEU 31 1HB LEU 31 -10.188 -4.399 -0.836 215 2HB LEU 31 2HB LEU 31 -10.792 -3.025 -1.719 216 HG LEU 31 HG LEU 31 -12.310 -4.446 0.519 217 1HD1 LEU 31 1HD1 LEU 31 -10.850 -1.797 0.404 218 2HD1 LEU 31 2HD1 LEU 31 -10.512 -3.241 1.409 219 3HD1 LEU 31 3HD1 LEU 31 -11.969 -2.274 1.690 220 1HD2 LEU 31 1HD2 LEU 31 -13.909 -3.477 -1.082 221 2HD2 LEU 31 2HD2 LEU 31 -12.994 -1.911 -1.035 222 3HD2 LEU 31 3HD2 LEU 31 -13.850 -2.526 0.389 223 H LEU 32 H LEU 32 -9.818 -6.424 -2.012 224 HA LEU 32 HA LEU 32 -8.431 -5.773 -4.481 225 1HB LEU 32 1HB LEU 32 -7.916 -8.244 -2.773 226 2HB LEU 32 2HB LEU 32 -6.804 -7.328 -3.736 227 HG LEU 32 HG LEU 32 -7.852 -6.655 -0.993 228 1HD1 LEU 32 1HD1 LEU 32 -6.007 -8.254 -1.108 229 2HD1 LEU 32 2HD1 LEU 32 -5.511 -6.731 -0.341 230 3HD1 LEU 32 3HD1 LEU 32 -5.057 -7.049 -2.014 231 1HD2 LEU 32 1HD2 LEU 32 -7.750 -4.508 -2.133 232 2HD2 LEU 32 2HD2 LEU 32 -6.103 -4.856 -2.711 233 3HD2 LEU 32 3HD2 LEU 32 -6.412 -4.644 -0.990 234 H VAL 33 H VAL 33 -8.349 -7.278 -6.378 235 HA VAL 33 HA VAL 33 -10.195 -9.609 -6.217 236 HB VAL 33 HB VAL 33 -10.299 -7.486 -8.414 237 1HG1 VAL 33 1HG1 VAL 33 -12.472 -8.526 -9.020 238 2HG1 VAL 33 2HG1 VAL 33 -11.122 -9.640 -9.176 239 3HG1 VAL 33 3HG1 VAL 33 -12.215 -9.765 -7.766 240 1HG2 VAL 33 1HG2 VAL 33 -12.504 -6.761 -7.530 241 2HG2 VAL 33 2HG2 VAL 33 -12.217 -7.740 -6.075 242 3HG2 VAL 33 3HG2 VAL 33 -11.156 -6.355 -6.478 243 H HIS 34 H HIS 34 -7.388 -8.093 -7.670 244 HA HIS 34 HA HIS 34 -6.849 -10.543 -9.269 245 1HB HIS 34 1HB HIS 34 -6.247 -7.630 -9.921 246 2HB HIS 34 2HB HIS 34 -5.954 -9.011 -10.963 247 HD1 HIS 34 HD1 HIS 34 -8.535 -10.381 -11.554 248 HD2 HIS 34 HD2 HIS 34 -8.476 -6.389 -10.208 249 HE1 HIS 34 HE1 HIS 34 -10.797 -9.389 -12.154 250 H SER 35 H SER 35 -4.530 -10.986 -9.517 251 HA SER 35 HA SER 35 -3.097 -10.584 -7.066 252 1HB SER 35 1HB SER 35 -1.205 -11.607 -8.430 253 2HB SER 35 2HB SER 35 -2.665 -12.600 -8.235 254 HG SER 35 HG SER 35 -2.155 -10.907 -10.451 255 H GLY 36 H GLY 36 -2.610 -8.507 -6.556 256 1HA GLY 36 1HA GLY 36 -0.589 -6.951 -7.298 257 2HA GLY 36 2HA GLY 36 -1.727 -6.663 -8.676 258 H ASP 37 H ASP 37 -4.062 -6.959 -6.872 259 HA ASP 37 HA ASP 37 -4.445 -4.208 -6.377 260 1HB ASP 37 1HB ASP 37 -5.875 -6.711 -5.503 261 2HB ASP 37 2HB ASP 37 -6.360 -5.136 -4.828 262 H PHE 38 H PHE 38 -3.930 -3.006 -4.524 263 HA PHE 38 HA PHE 38 -3.428 -4.361 -1.991 264 1HB PHE 38 1HB PHE 38 -1.412 -3.075 -1.511 265 2HB PHE 38 2HB PHE 38 -1.166 -4.006 -2.960 266 HD1 PHE 38 HD1 PHE 38 -0.883 -2.931 -5.169 267 HD2 PHE 38 HD2 PHE 38 -1.527 -0.595 -1.582 268 HE1 PHE 38 HE1 PHE 38 -0.692 -0.894 -6.436 269 HE2 PHE 38 HE2 PHE 38 -1.021 1.473 -2.882 270 HZ PHE 38 HZ PHE 38 -0.611 1.336 -5.307 271 H LEU 39 H LEU 39 -3.802 -3.044 -0.197 272 HA LEU 39 HA LEU 39 -4.546 -0.254 -0.652 273 1HB LEU 39 1HB LEU 39 -6.539 -0.296 0.578 274 2HB LEU 39 2HB LEU 39 -6.648 -1.537 -0.638 275 HG LEU 39 HG LEU 39 -5.788 -3.087 1.490 276 1HD1 LEU 39 1HD1 LEU 39 -7.262 -0.774 2.742 277 2HD1 LEU 39 2HD1 LEU 39 -5.635 -1.384 3.114 278 3HD1 LEU 39 3HD1 LEU 39 -7.058 -2.385 3.457 279 1HD2 LEU 39 1HD2 LEU 39 -8.616 -2.083 1.047 280 2HD2 LEU 39 2HD2 LEU 39 -8.174 -3.626 1.828 281 3HD2 LEU 39 3HD2 LEU 39 -7.885 -3.369 0.100 282 H VAL 40 H VAL 40 -4.385 0.976 1.321 283 HA VAL 40 HA VAL 40 -2.519 -0.207 3.325 284 HB VAL 40 HB VAL 40 -2.793 2.671 2.387 285 1HG1 VAL 40 1HG1 VAL 40 -1.098 1.531 4.634 286 2HG1 VAL 40 2HG1 VAL 40 -0.960 3.177 3.981 287 3HG1 VAL 40 3HG1 VAL 40 -2.439 2.695 4.812 288 1HG2 VAL 40 1HG2 VAL 40 -0.524 0.620 2.266 289 2HG2 VAL 40 2HG2 VAL 40 -1.421 1.251 0.887 290 3HG2 VAL 40 3HG2 VAL 40 -0.355 2.325 1.796 291 H ARG 41 H ARG 41 -3.397 -0.522 5.198 292 HA ARG 41 HA ARG 41 -5.887 0.895 5.951 293 1HB ARG 41 1HB ARG 41 -6.720 -1.156 6.962 294 2HB ARG 41 2HB ARG 41 -6.372 -1.424 5.248 295 1HG ARG 41 1HG ARG 41 -4.145 -2.400 5.933 296 2HG ARG 41 2HG ARG 41 -4.671 -2.368 7.613 297 1HD ARG 41 1HD ARG 41 -6.840 -3.606 6.577 298 2HD ARG 41 2HD ARG 41 -5.728 -3.941 5.242 299 HE ARG 41 HE ARG 41 -4.586 -5.423 6.510 300 1HH1 ARG 41 2HH1 ARG 41 -6.816 -3.572 8.624 301 2HH1 ARG 41 1HH1 ARG 41 -6.338 -4.309 10.079 302 1HH2 ARG 41 2HH2 ARG 41 -4.143 -6.685 8.568 303 2HH2 ARG 41 1HH2 ARG 41 -4.779 -6.058 10.037 304 H GLU 42 H GLU 42 -6.106 0.993 8.346 305 HA GLU 42 HA GLU 42 -3.518 1.135 9.755 306 1HB GLU 42 1HB GLU 42 -5.201 2.915 9.911 307 2HB GLU 42 2HB GLU 42 -6.332 1.842 10.695 308 1HG GLU 42 1HG GLU 42 -3.516 2.135 11.821 309 2HG GLU 42 2HG GLU 42 -4.609 3.503 11.983 310 H SER 43 H SER 43 -3.396 0.206 11.910 311 HA SER 43 HA SER 43 -3.907 -2.616 11.993 312 1HB SER 43 1HB SER 43 -2.564 -2.572 13.896 313 2HB SER 43 2HB SER 43 -1.909 -1.222 12.951 314 HG SER 43 HG SER 43 -3.473 0.061 14.253 315 H GLN 44 H GLN 44 -4.508 -2.323 14.958 316 HA GLN 44 HA GLN 44 -7.444 -2.301 14.627 317 1HB GLN 44 1HB GLN 44 -5.682 -3.501 16.800 318 2HB GLN 44 2HB GLN 44 -7.449 -3.552 16.798 319 1HG GLN 44 1HG GLN 44 -7.494 -4.855 14.748 320 2HG GLN 44 2HG GLN 44 -5.730 -4.794 14.619 321 1HE2 GLN 44 2HE2 GLN 44 -8.174 -6.938 15.521 322 2HE2 GLN 44 1HE2 GLN 44 -7.215 -7.858 16.631 323 H GLY 45 H GLY 45 -5.098 -0.072 15.460 324 1HA GLY 45 1HA GLY 45 -6.243 2.006 16.423 325 2HA GLY 45 2HA GLY 45 -6.459 1.011 17.872 326 H LYS 46 H LYS 46 -3.513 0.295 16.225 327 HA LYS 46 HA LYS 46 -1.803 1.883 18.017 328 1HB LYS 46 1HB LYS 46 -1.094 0.315 15.496 329 2HB LYS 46 2HB LYS 46 0.018 1.106 16.535 330 1HG LYS 46 1HG LYS 46 -0.040 -1.322 16.759 331 2HG LYS 46 2HG LYS 46 -0.105 -0.384 18.236 332 1HD LYS 46 1HD LYS 46 -2.554 -0.973 18.444 333 2HD LYS 46 2HD LYS 46 -2.368 -1.955 16.968 334 1HE LYS 46 1HE LYS 46 -1.989 -3.542 18.647 335 2HE LYS 46 2HE LYS 46 -0.349 -3.039 18.229 336 1HZ LYS 46 1HZ LYS 46 -0.678 -1.395 20.188 337 2HZ LYS 46 2HZ LYS 46 -0.422 -2.988 20.529 338 3HZ LYS 46 3HZ LYS 46 -1.937 -2.398 20.596 339 H GLN 47 H GLN 47 -0.037 3.119 16.365 340 HA GLN 47 HA GLN 47 -1.599 4.467 14.226 341 1HB GLN 47 1HB GLN 47 0.633 5.605 15.967 342 2HB GLN 47 2HB GLN 47 0.047 6.355 14.476 343 1HG GLN 47 1HG GLN 47 -2.144 6.724 15.400 344 2HG GLN 47 2HG GLN 47 -1.796 5.749 16.823 345 1HE2 GLN 47 2HE2 GLN 47 -0.066 8.484 15.133 346 2HE2 GLN 47 1HE2 GLN 47 0.305 9.307 16.604 347 H GLU 48 H GLU 48 -0.979 2.138 13.519 348 HA GLU 48 HA GLU 48 1.514 2.395 12.016 349 1HB GLU 48 1HB GLU 48 2.081 1.007 13.888 350 2HB GLU 48 2HB GLU 48 0.642 0.004 13.663 351 1HG GLU 48 1HG GLU 48 1.580 -1.209 12.037 352 2HG GLU 48 2HG GLU 48 2.223 0.185 11.198 353 H TYR 49 H TYR 49 1.190 1.866 9.951 354 HA TYR 49 HA TYR 49 -1.516 0.941 9.158 355 1HB TYR 49 1HB TYR 49 0.743 2.206 7.560 356 2HB TYR 49 2HB TYR 49 -0.772 1.620 6.865 357 HD1 TYR 49 HD1 TYR 49 0.798 4.554 7.563 358 HD2 TYR 49 HD2 TYR 49 -2.910 2.540 8.361 359 HE1 TYR 49 HE1 TYR 49 -0.284 6.752 7.969 360 HE2 TYR 49 HE2 TYR 49 -3.983 4.717 8.919 361 HH TYR 49 HH TYR 49 -2.371 7.861 8.406 362 H VAL 50 H VAL 50 -1.652 -0.584 7.413 363 HA VAL 50 HA VAL 50 0.384 -2.725 7.426 364 HB VAL 50 HB VAL 50 -2.628 -3.062 7.453 365 1HG1 VAL 50 1HG1 VAL 50 -1.379 -5.001 6.559 366 2HG1 VAL 50 2HG1 VAL 50 -0.344 -5.022 8.002 367 3HG1 VAL 50 3HG1 VAL 50 -2.067 -5.411 8.124 368 1HG2 VAL 50 1HG2 VAL 50 -0.777 -3.033 9.791 369 2HG2 VAL 50 2HG2 VAL 50 -2.266 -2.108 9.570 370 3HG2 VAL 50 3HG2 VAL 50 -2.362 -3.861 9.855 371 H LEU 51 H LEU 51 0.603 -3.702 5.495 372 HA LEU 51 HA LEU 51 -0.722 -2.498 3.146 373 1HB LEU 51 1HB LEU 51 1.841 -2.445 3.422 374 2HB LEU 51 2HB LEU 51 1.821 -4.186 3.291 375 HG LEU 51 HG LEU 51 0.836 -4.009 1.019 376 1HD1 LEU 51 1HD1 LEU 51 -0.344 -1.844 1.108 377 2HD1 LEU 51 2HD1 LEU 51 0.895 -1.774 -0.139 378 3HD1 LEU 51 3HD1 LEU 51 1.193 -0.999 1.421 379 1HD2 LEU 51 1HD2 LEU 51 2.937 -3.082 -0.002 380 2HD2 LEU 51 2HD2 LEU 51 3.257 -4.166 1.373 381 3HD2 LEU 51 3HD2 LEU 51 3.375 -2.408 1.577 382 H SER 52 H SER 52 -2.379 -3.661 2.492 383 HA SER 52 HA SER 52 -2.347 -6.622 2.835 384 1HB SER 52 1HB SER 52 -4.473 -4.523 3.193 385 2HB SER 52 2HB SER 52 -4.900 -6.173 2.786 386 HG SER 52 HG SER 52 -4.095 -6.910 4.633 387 H VAL 53 H VAL 53 -1.897 -7.509 0.947 388 HA VAL 53 HA VAL 53 -2.877 -6.337 -1.582 389 HB VAL 53 HB VAL 53 -0.759 -5.394 -1.189 390 1HG1 VAL 53 1HG1 VAL 53 0.168 -6.826 0.545 391 2HG1 VAL 53 2HG1 VAL 53 0.373 -8.136 -0.648 392 3HG1 VAL 53 3HG1 VAL 53 1.299 -6.610 -0.764 393 1HG2 VAL 53 1HG2 VAL 53 -1.094 -6.201 -3.527 394 2HG2 VAL 53 2HG2 VAL 53 0.603 -6.177 -3.074 395 3HG2 VAL 53 3HG2 VAL 53 -0.299 -7.716 -3.115 396 H LEU 54 H LEU 54 -3.289 -7.860 -3.221 397 HA LEU 54 HA LEU 54 -3.873 -10.523 -2.123 398 1HB LEU 54 1HB LEU 54 -5.418 -8.864 -3.390 399 2HB LEU 54 2HB LEU 54 -4.602 -9.370 -4.852 400 HG LEU 54 HG LEU 54 -5.397 -11.738 -4.320 401 1HD1 LEU 54 1HD1 LEU 54 -6.629 -10.287 -1.984 402 2HD1 LEU 54 2HD1 LEU 54 -5.754 -11.858 -2.056 403 3HD1 LEU 54 3HD1 LEU 54 -7.396 -11.713 -2.670 404 1HD2 LEU 54 1HD2 LEU 54 -7.665 -11.394 -5.029 405 2HD2 LEU 54 2HD2 LEU 54 -6.571 -10.300 -5.880 406 3HD2 LEU 54 3HD2 LEU 54 -7.578 -9.684 -4.562 407 H TRP 55 H TRP 55 -2.390 -12.204 -2.498 408 HA TRP 55 HA TRP 55 -1.029 -12.197 -5.123 409 1HB TRP 55 1HB TRP 55 0.386 -11.259 -3.124 410 2HB TRP 55 2HB TRP 55 0.535 -12.959 -2.676 411 HD1 TRP 55 HD1 TRP 55 2.586 -14.084 -3.772 412 HE1 TRP 55 HE1 TRP 55 4.146 -13.621 -5.705 413 HE3 TRP 55 HE3 TRP 55 0.125 -10.080 -5.806 414 HZ2 TRP 55 HZ2 TRP 55 4.293 -11.740 -7.961 415 HZ3 TRP 55 HZ3 TRP 55 1.028 -8.932 -7.802 416 HH2 TRP 55 HH2 TRP 55 3.130 -9.742 -8.885 417 H ASP 56 H ASP 56 -1.596 -13.872 -6.105 418 HA ASP 56 HA ASP 56 -2.354 -15.859 -6.699 419 1HB ASP 56 1HB ASP 56 0.102 -16.195 -5.996 420 2HB ASP 56 2HB ASP 56 -0.555 -17.083 -4.625 421 H GLY 57 H GLY 57 -4.161 -14.714 -5.090 422 1HA GLY 57 1HA GLY 57 -6.161 -15.321 -4.135 423 2HA GLY 57 2HA GLY 57 -5.664 -17.019 -4.222 424 H LEU 58 H LEU 58 -3.871 -14.430 -2.547 425 HA LEU 58 HA LEU 58 -5.038 -15.121 0.005 426 1HB LEU 58 1HB LEU 58 -3.094 -16.715 -0.331 427 2HB LEU 58 2HB LEU 58 -2.016 -15.353 -0.396 428 HG LEU 58 HG LEU 58 -2.086 -16.627 1.725 429 1HD1 LEU 58 1HD1 LEU 58 -2.900 -13.777 2.276 430 2HD1 LEU 58 2HD1 LEU 58 -1.326 -14.229 1.585 431 3HD1 LEU 58 3HD1 LEU 58 -1.790 -14.812 3.193 432 1HD2 LEU 58 1HD2 LEU 58 -3.830 -16.425 3.340 433 2HD2 LEU 58 2HD2 LEU 58 -4.592 -16.959 1.831 434 3HD2 LEU 58 3HD2 LEU 58 -4.736 -15.274 2.350 435 HA PRO 59 HA PRO 59 -4.128 -10.615 -0.109 436 1HB PRO 59 1HB PRO 59 -5.752 -9.910 1.952 437 2HB PRO 59 2HB PRO 59 -6.362 -10.204 0.294 438 1HG PRO 59 1HG PRO 59 -6.318 -12.106 2.635 439 2HG PRO 59 2HG PRO 59 -7.665 -11.779 1.484 440 1HD PRO 59 1HD PRO 59 -6.056 -13.923 1.305 441 2HD PRO 59 2HD PRO 59 -6.728 -13.112 -0.128 442 H ARG 60 H ARG 60 -1.999 -10.858 0.495 443 HA ARG 60 HA ARG 60 -1.017 -11.921 2.951 444 1HB ARG 60 1HB ARG 60 0.153 -9.921 0.954 445 2HB ARG 60 2HB ARG 60 1.082 -10.653 2.265 446 1HG ARG 60 1HG ARG 60 -0.298 -12.214 0.049 447 2HG ARG 60 2HG ARG 60 1.308 -11.564 -0.135 448 1HD ARG 60 1HD ARG 60 0.715 -13.179 2.328 449 2HD ARG 60 2HD ARG 60 0.811 -13.975 0.754 450 HE ARG 60 HE ARG 60 3.124 -13.032 0.585 451 1HH1 ARG 60 2HH1 ARG 60 1.694 -13.896 3.735 452 2HH1 ARG 60 1HH1 ARG 60 3.207 -14.484 4.343 453 1HH2 ARG 60 2HH2 ARG 60 5.092 -13.782 1.490 454 2HH2 ARG 60 1HH2 ARG 60 5.108 -14.387 3.112 455 H HIS 61 H HIS 61 0.314 -10.495 4.504 456 HA HIS 61 HA HIS 61 -0.750 -7.820 4.951 457 1HB HIS 61 1HB HIS 61 -1.039 -8.393 7.436 458 2HB HIS 61 2HB HIS 61 -2.322 -8.861 6.344 459 HD1 HIS 61 HD1 HIS 61 -0.097 -10.360 8.943 460 HD2 HIS 61 HD2 HIS 61 -2.378 -11.572 5.611 461 HE1 HIS 61 HE1 HIS 61 -0.441 -12.856 9.183 462 H PHE 62 H PHE 62 1.124 -6.834 4.673 463 HA PHE 62 HA PHE 62 3.455 -7.712 6.297 464 1HB PHE 62 1HB PHE 62 3.656 -5.946 3.846 465 2HB PHE 62 2HB PHE 62 4.917 -6.848 4.664 466 HD1 PHE 62 HD1 PHE 62 4.853 -9.541 4.386 467 HD2 PHE 62 HD2 PHE 62 2.508 -6.816 1.939 468 HE1 PHE 62 HE1 PHE 62 4.559 -11.272 2.680 469 HE2 PHE 62 HE2 PHE 62 2.380 -8.558 0.214 470 HZ PHE 62 HZ PHE 62 3.387 -10.774 0.587 471 H ILE 63 H ILE 63 3.984 -6.060 7.847 472 HA ILE 63 HA ILE 63 2.102 -3.853 8.137 473 HB ILE 63 HB ILE 63 4.537 -4.898 9.555 474 1HG1 ILE 63 1HG1 ILE 63 2.125 -5.672 9.827 475 2HG1 ILE 63 2HG1 ILE 63 3.012 -5.290 11.280 476 1HG2 ILE 63 1HG2 ILE 63 4.383 -3.034 11.224 477 2HG2 ILE 63 2HG2 ILE 63 5.125 -2.604 9.682 478 3HG2 ILE 63 3HG2 ILE 63 3.458 -2.102 10.030 479 1HD1 ILE 63 1HD1 ILE 63 1.275 -3.141 10.023 480 2HD1 ILE 63 2HD1 ILE 63 0.512 -4.422 10.967 481 3HD1 ILE 63 3HD1 ILE 63 1.717 -3.366 11.721 482 H ILE 64 H ILE 64 2.478 -1.626 7.661 483 HA ILE 64 HA ILE 64 4.092 -1.101 5.373 484 HB ILE 64 HB ILE 64 2.725 0.699 7.424 485 1HG1 ILE 64 1HG1 ILE 64 1.324 -0.735 5.850 486 2HG1 ILE 64 2HG1 ILE 64 1.044 0.994 5.731 487 1HG2 ILE 64 1HG2 ILE 64 4.216 1.533 4.931 488 2HG2 ILE 64 2HG2 ILE 64 2.985 2.521 5.739 489 3HG2 ILE 64 3HG2 ILE 64 4.447 2.087 6.602 490 1HD1 ILE 64 1HD1 ILE 64 2.817 -0.466 3.782 491 2HD1 ILE 64 2HD1 ILE 64 1.073 -0.210 3.581 492 3HD1 ILE 64 3HD1 ILE 64 2.163 1.182 3.659 493 H GLN 65 H GLN 65 6.047 -0.358 5.172 494 HA GLN 65 HA GLN 65 8.150 -0.848 6.930 495 1HB GLN 65 1HB GLN 65 8.310 1.541 5.099 496 2HB GLN 65 2HB GLN 65 9.493 0.323 5.430 497 1HG GLN 65 1HG GLN 65 8.919 -0.340 3.317 498 2HG GLN 65 2HG GLN 65 7.747 -1.279 4.177 499 1HE2 GLN 65 2HE2 GLN 65 6.464 1.827 4.416 500 2HE2 GLN 65 1HE2 GLN 65 5.750 1.948 2.815 501 H SER 66 H SER 66 9.523 0.725 8.249 502 HA SER 66 HA SER 66 8.747 3.453 8.518 503 1HB SER 66 1HB SER 66 6.863 2.266 9.797 504 2HB SER 66 2HB SER 66 8.109 1.624 10.858 505 HG SER 66 HG SER 66 6.892 3.636 11.381 506 H LEU 67 H LEU 67 10.651 4.365 9.030 507 HA LEU 67 HA LEU 67 12.419 3.133 11.027 508 1HB LEU 67 1HB LEU 67 14.439 3.796 9.824 509 2HB LEU 67 2HB LEU 67 13.578 2.513 9.051 510 HG LEU 67 HG LEU 67 12.980 5.315 8.078 511 1HD1 LEU 67 1HD1 LEU 67 15.603 3.850 7.611 512 2HD1 LEU 67 2HD1 LEU 67 15.390 5.465 8.307 513 3HD1 LEU 67 3HD1 LEU 67 15.033 5.174 6.587 514 1HD2 LEU 67 1HD2 LEU 67 13.444 2.606 6.794 515 2HD2 LEU 67 2HD2 LEU 67 13.034 4.068 5.868 516 3HD2 LEU 67 3HD2 LEU 67 11.869 3.381 7.008 517 H ASP 68 H ASP 68 14.208 5.599 10.489 518 HA ASP 68 HA ASP 68 13.403 6.960 12.723 519 1HB ASP 68 1HB ASP 68 15.144 7.667 10.368 520 2HB ASP 68 2HB ASP 68 14.736 8.964 11.512 521 H ASN 69 H ASN 69 12.843 8.116 9.381 522 HA ASN 69 HA ASN 69 10.296 9.294 10.198 523 1HB ASN 69 1HB ASN 69 12.093 11.078 10.551 524 2HB ASN 69 2HB ASN 69 12.399 11.011 8.802 525 1HD2 ASN 69 2HD2 ASN 69 9.510 11.243 11.000 526 2HD2 ASN 69 1HD2 ASN 69 8.708 12.411 9.972 527 H LEU 70 H LEU 70 11.648 7.188 8.287 528 HA LEU 70 HA LEU 70 10.281 8.000 5.784 529 1HB LEU 70 1HB LEU 70 12.823 6.358 5.789 530 2HB LEU 70 2HB LEU 70 12.068 7.124 4.459 531 HG LEU 70 HG LEU 70 12.967 9.054 6.517 532 1HD1 LEU 70 1HD1 LEU 70 14.994 7.280 5.150 533 2HD1 LEU 70 2HD1 LEU 70 14.721 7.508 6.896 534 3HD1 LEU 70 3HD1 LEU 70 15.365 8.837 5.926 535 1HD2 LEU 70 1HD2 LEU 70 13.425 8.845 3.524 536 2HD2 LEU 70 2HD2 LEU 70 13.851 10.228 4.556 537 3HD2 LEU 70 3HD2 LEU 70 12.156 9.781 4.359 538 H TYR 71 H TYR 71 10.208 6.012 4.341 539 HA TYR 71 HA TYR 71 9.375 3.534 5.771 540 1HB TYR 71 1HB TYR 71 8.058 4.812 3.315 541 2HB TYR 71 2HB TYR 71 7.438 3.525 4.312 542 HD1 TYR 71 HD1 TYR 71 7.711 7.118 3.903 543 HD2 TYR 71 HD2 TYR 71 6.552 4.024 6.599 544 HE1 TYR 71 HE1 TYR 71 6.574 8.800 5.376 545 HE2 TYR 71 HE2 TYR 71 5.394 5.572 8.026 546 HH TYR 71 HH TYR 71 4.849 7.907 8.381 547 H ARG 72 H ARG 72 10.536 1.713 4.696 548 HA ARG 72 HA ARG 72 11.407 1.978 1.904 549 1HB ARG 72 1HB ARG 72 13.683 1.444 2.384 550 2HB ARG 72 2HB ARG 72 13.272 2.903 3.269 551 1HG ARG 72 1HG ARG 72 14.431 1.898 4.879 552 2HG ARG 72 2HG ARG 72 12.851 1.200 5.255 553 1HD ARG 72 1HD ARG 72 13.543 -0.878 4.905 554 2HD ARG 72 2HD ARG 72 14.298 -0.480 3.352 555 HE ARG 72 HE ARG 72 16.103 0.590 4.985 556 1HH1 ARG 72 2HH1 ARG 72 14.422 -2.454 5.702 557 2HH1 ARG 72 1HH1 ARG 72 15.847 -3.224 6.329 558 1HH2 ARG 72 2HH2 ARG 72 18.001 -0.507 5.780 559 2HH2 ARG 72 1HH2 ARG 72 17.784 -2.092 6.493 560 H LEU 73 H LEU 73 11.397 -0.133 0.900 561 HA LEU 73 HA LEU 73 10.710 -2.325 2.827 562 1HB LEU 73 1HB LEU 73 8.859 -1.379 1.392 563 2HB LEU 73 2HB LEU 73 9.616 -2.114 -0.006 564 HG LEU 73 HG LEU 73 9.288 -4.240 0.626 565 1HD1 LEU 73 1HD1 LEU 73 9.799 -4.327 3.075 566 2HD1 LEU 73 2HD1 LEU 73 8.199 -4.982 2.783 567 3HD1 LEU 73 3HD1 LEU 73 8.377 -3.328 3.419 568 1HD2 LEU 73 1HD2 LEU 73 6.912 -4.346 0.865 569 2HD2 LEU 73 2HD2 LEU 73 7.471 -3.041 -0.220 570 3HD2 LEU 73 3HD2 LEU 73 6.869 -2.650 1.412 571 H GLU 74 H GLU 74 12.453 -1.570 -0.157 572 HA GLU 74 HA GLU 74 13.730 -4.247 0.166 573 1HB GLU 74 1HB GLU 74 12.309 -4.170 -1.843 574 2HB GLU 74 2HB GLU 74 13.322 -2.841 -2.464 575 1HG GLU 74 1HG GLU 74 15.315 -4.397 -2.263 576 2HG GLU 74 2HG GLU 74 14.188 -5.710 -1.884 577 H GLY 75 H GLY 75 14.103 -0.919 -1.093 578 1HA GLY 75 1HA GLY 75 17.058 -0.985 -0.705 579 2HA GLY 75 2HA GLY 75 16.212 -0.227 -2.063 580 H GLU 76 H GLU 76 16.241 1.935 -1.850 581 HA GLU 76 HA GLU 76 16.714 3.328 0.610 582 1HB GLU 76 1HB GLU 76 16.450 5.350 -0.770 583 2HB GLU 76 2HB GLU 76 17.560 4.171 -1.429 584 1HG GLU 76 1HG GLU 76 15.483 3.399 -2.890 585 2HG GLU 76 2HG GLU 76 14.796 4.937 -2.381 586 H GLY 77 H GLY 77 15.355 5.210 1.260 587 1HA GLY 77 1HA GLY 77 12.555 4.350 1.667 588 2HA GLY 77 2HA GLY 77 13.572 5.109 2.880 589 H PHE 78 H PHE 78 10.976 6.063 2.065 590 HA PHE 78 HA PHE 78 11.728 8.696 0.896 591 1HB PHE 78 1HB PHE 78 9.414 6.855 0.258 592 2HB PHE 78 2HB PHE 78 9.209 8.562 0.097 593 HD1 PHE 78 HD1 PHE 78 11.412 5.768 -1.035 594 HD2 PHE 78 HD2 PHE 78 10.115 9.822 -1.734 595 HE1 PHE 78 HE1 PHE 78 12.608 5.778 -3.205 596 HE2 PHE 78 HE2 PHE 78 11.313 9.818 -3.893 597 HZ PHE 78 HZ PHE 78 12.573 7.802 -4.604 598 HA PRO 79 HA PRO 79 9.745 10.425 4.449 599 1HB PRO 79 1HB PRO 79 8.998 12.878 3.592 600 2HB PRO 79 2HB PRO 79 10.721 12.362 3.554 601 1HG PRO 79 1HG PRO 79 8.712 12.162 1.280 602 2HG PRO 79 2HG PRO 79 10.253 13.057 1.248 603 1HD PRO 79 1HD PRO 79 10.134 10.533 0.364 604 2HD PRO 79 2HD PRO 79 11.511 11.018 1.406 605 H SER 80 H SER 80 7.837 9.235 1.901 606 HA SER 80 HA SER 80 5.461 9.506 3.573 607 1HB SER 80 1HB SER 80 5.198 10.235 0.681 608 2HB SER 80 2HB SER 80 4.043 10.472 1.943 609 HG SER 80 HG SER 80 5.887 11.778 2.916 610 H ILE 81 H ILE 81 3.935 7.936 3.139 611 HA ILE 81 HA ILE 81 4.917 5.420 2.092 612 HB ILE 81 HB ILE 81 2.168 6.398 3.008 613 1HG1 ILE 81 1HG1 ILE 81 4.025 4.319 4.245 614 2HG1 ILE 81 2HG1 ILE 81 4.175 6.024 4.636 615 1HG2 ILE 81 1HG2 ILE 81 1.917 4.570 1.267 616 2HG2 ILE 81 2HG2 ILE 81 2.833 3.513 2.348 617 3HG2 ILE 81 3HG2 ILE 81 1.285 4.180 2.868 618 1HD1 ILE 81 1HD1 ILE 81 1.957 6.125 5.569 619 2HD1 ILE 81 2HD1 ILE 81 1.645 4.424 5.129 620 3HD1 ILE 81 3HD1 ILE 81 2.890 4.837 6.330 621 HA PRO 82 HA PRO 82 2.064 6.544 -1.536 622 1HB PRO 82 1HB PRO 82 1.618 9.237 -2.173 623 2HB PRO 82 2HB PRO 82 0.515 8.221 -1.214 624 1HG PRO 82 1HG PRO 82 2.500 10.190 -0.185 625 2HG PRO 82 2HG PRO 82 0.871 9.836 0.433 626 1HD PRO 82 1HD PRO 82 2.951 8.854 1.648 627 2HD PRO 82 2HD PRO 82 1.497 7.918 1.531 628 H LEU 83 H LEU 83 4.723 8.726 -0.763 629 HA LEU 83 HA LEU 83 5.641 9.120 -3.420 630 1HB LEU 83 1HB LEU 83 6.803 9.520 -0.644 631 2HB LEU 83 2HB LEU 83 7.816 9.642 -2.063 632 HG LEU 83 HG LEU 83 6.383 11.356 -3.045 633 1HD1 LEU 83 1HD1 LEU 83 4.923 11.901 -0.510 634 2HD1 LEU 83 2HD1 LEU 83 4.223 10.851 -1.779 635 3HD1 LEU 83 3HD1 LEU 83 4.691 12.511 -2.107 636 1HD2 LEU 83 1HD2 LEU 83 7.165 13.173 -1.695 637 2HD2 LEU 83 2HD2 LEU 83 8.371 11.897 -1.593 638 3HD2 LEU 83 3HD2 LEU 83 7.228 12.148 -0.248 639 H LEU 84 H LEU 84 6.029 6.421 -1.246 640 HA LEU 84 HA LEU 84 8.139 5.238 -2.933 641 1HB LEU 84 1HB LEU 84 8.053 5.127 -0.371 642 2HB LEU 84 2HB LEU 84 6.611 4.080 -0.599 643 HG LEU 84 HG LEU 84 7.815 2.323 -1.505 644 1HD1 LEU 84 1HD1 LEU 84 10.322 4.025 -1.685 645 2HD1 LEU 84 2HD1 LEU 84 9.386 3.381 -3.051 646 3HD1 LEU 84 3HD1 LEU 84 10.238 2.279 -1.978 647 1HD2 LEU 84 1HD2 LEU 84 9.391 1.728 0.242 648 2HD2 LEU 84 2HD2 LEU 84 8.010 2.596 0.942 649 3HD2 LEU 84 3HD2 LEU 84 9.564 3.441 0.689 650 H ILE 85 H ILE 85 4.602 4.955 -2.326 651 HA ILE 85 HA ILE 85 4.260 2.424 -3.569 652 HB ILE 85 HB ILE 85 2.465 4.885 -3.422 653 1HG1 ILE 85 1HG1 ILE 85 2.812 3.797 -1.245 654 2HG1 ILE 85 2HG1 ILE 85 1.176 3.592 -1.809 655 1HG2 ILE 85 1HG2 ILE 85 1.957 2.183 -4.658 656 2HG2 ILE 85 2HG2 ILE 85 0.636 3.230 -4.090 657 3HG2 ILE 85 3HG2 ILE 85 1.721 3.780 -5.373 658 1HD1 ILE 85 1HD1 ILE 85 1.821 1.250 -2.591 659 2HD1 ILE 85 2HD1 ILE 85 3.356 1.527 -1.733 660 3HD1 ILE 85 3HD1 ILE 85 1.813 1.544 -0.849 661 H ASP 86 H ASP 86 4.490 5.750 -5.045 662 HA ASP 86 HA ASP 86 3.912 4.611 -7.597 663 1HB ASP 86 1HB ASP 86 3.900 7.104 -6.879 664 2HB ASP 86 2HB ASP 86 5.575 7.125 -7.440 665 H HIS 87 H HIS 87 7.045 5.187 -5.981 666 HA HIS 87 HA HIS 87 8.542 4.374 -8.307 667 1HB HIS 87 1HB HIS 87 9.369 4.694 -5.412 668 2HB HIS 87 2HB HIS 87 10.459 4.130 -6.651 669 HD1 HIS 87 HD1 HIS 87 12.040 6.290 -6.345 670 HD2 HIS 87 HD2 HIS 87 8.140 6.899 -7.852 671 HE1 HIS 87 HE1 HIS 87 11.984 8.637 -7.295 672 H LEU 88 H LEU 88 6.676 2.436 -6.107 673 HA LEU 88 HA LEU 88 8.207 0.015 -6.985 674 1HB LEU 88 1HB LEU 88 6.062 0.613 -4.934 675 2HB LEU 88 2HB LEU 88 6.398 -1.016 -5.513 676 HG LEU 88 HG LEU 88 7.726 0.670 -3.586 677 1HD1 LEU 88 1HD1 LEU 88 8.652 -1.624 -2.943 678 2HD1 LEU 88 2HD1 LEU 88 8.111 -2.213 -4.546 679 3HD1 LEU 88 3HD1 LEU 88 6.911 -1.679 -3.331 680 1HD2 LEU 88 1HD2 LEU 88 9.794 -0.529 -5.431 681 2HD2 LEU 88 2HD2 LEU 88 10.026 0.128 -3.798 682 3HD2 LEU 88 3HD2 LEU 88 9.526 1.203 -5.084 683 H LEU 89 H LEU 89 5.127 1.766 -7.341 684 HA LEU 89 HA LEU 89 3.808 -0.465 -8.653 685 1HB LEU 89 1HB LEU 89 2.669 1.431 -7.302 686 2HB LEU 89 2HB LEU 89 3.017 2.469 -8.686 687 HG LEU 89 HG LEU 89 1.854 0.456 -10.005 688 1HD1 LEU 89 1HD1 LEU 89 -0.213 -0.265 -8.680 689 2HD1 LEU 89 2HD1 LEU 89 0.921 -0.038 -7.320 690 3HD1 LEU 89 3HD1 LEU 89 1.299 -1.126 -8.722 691 1HD2 LEU 89 1HD2 LEU 89 -0.341 1.628 -9.783 692 2HD2 LEU 89 2HD2 LEU 89 0.936 2.862 -9.836 693 3HD2 LEU 89 3HD2 LEU 89 0.177 2.372 -8.279 694 H SER 90 H SER 90 5.235 2.632 -9.685 695 HA SER 90 HA SER 90 4.638 2.251 -12.430 696 1HB SER 90 1HB SER 90 5.202 4.409 -10.976 697 2HB SER 90 2HB SER 90 6.868 4.079 -11.491 698 HG SER 90 HG SER 90 6.244 5.137 -13.216 699 H THR 91 H THR 91 7.094 0.943 -10.413 700 HA THR 91 HA THR 91 8.969 0.461 -12.673 701 HB THR 91 HB THR 91 10.625 0.046 -10.950 702 HG1 THR 91 HG1 THR 91 9.388 0.870 -8.769 703 1HG2 THR 91 1HG2 THR 91 10.798 2.254 -9.945 704 2HG2 THR 91 2HG2 THR 91 9.078 2.565 -10.176 705 3HG2 THR 91 3HG2 THR 91 10.135 2.453 -11.586 706 H GLN 92 H GLN 92 6.799 -1.002 -10.391 707 HA GLN 92 HA GLN 92 5.963 -3.091 -10.150 708 1HB GLN 92 1HB GLN 92 7.526 -4.040 -12.596 709 2HB GLN 92 2HB GLN 92 6.181 -4.830 -11.820 710 1HG GLN 92 1HG GLN 92 5.914 -2.129 -13.197 711 2HG GLN 92 2HG GLN 92 5.761 -3.688 -14.017 712 1HE2 GLN 92 2HE2 GLN 92 4.420 -1.892 -11.234 713 2HE2 GLN 92 1HE2 GLN 92 3.059 -2.884 -10.973 714 H GLN 93 H GLN 93 7.463 -2.604 -8.297 715 HA GLN 93 HA GLN 93 9.574 -4.657 -8.338 716 1HB GLN 93 1HB GLN 93 9.595 -1.850 -7.263 717 2HB GLN 93 2HB GLN 93 10.512 -3.065 -6.359 718 1HG GLN 93 1HG GLN 93 11.715 -3.719 -8.412 719 2HG GLN 93 2HG GLN 93 10.867 -2.482 -9.294 720 1HE2 GLN 93 2HE2 GLN 93 11.093 -0.212 -8.481 721 2HE2 GLN 93 1HE2 GLN 93 12.703 0.242 -7.944 722 HA PRO 94 HA PRO 94 7.829 -6.908 -5.405 723 1HB PRO 94 1HB PRO 94 9.859 -8.425 -4.384 724 2HB PRO 94 2HB PRO 94 9.320 -8.574 -6.066 725 1HG PRO 94 1HG PRO 94 11.608 -6.856 -4.956 726 2HG PRO 94 2HG PRO 94 11.663 -7.968 -6.361 727 1HD PRO 94 1HD PRO 94 11.255 -5.298 -6.803 728 2HD PRO 94 2HD PRO 94 10.344 -6.546 -7.684 729 H LEU 95 H LEU 95 7.252 -7.229 -3.341 730 HA LEU 95 HA LEU 95 8.077 -5.247 -1.376 731 1HB LEU 95 1HB LEU 95 5.976 -7.446 -1.213 732 2HB LEU 95 2HB LEU 95 6.109 -6.076 -0.133 733 HG LEU 95 HG LEU 95 5.341 -5.954 -3.058 734 1HD1 LEU 95 1HD1 LEU 95 3.787 -5.178 -0.577 735 2HD1 LEU 95 2HD1 LEU 95 3.685 -6.768 -1.300 736 3HD1 LEU 95 3HD1 LEU 95 3.189 -5.361 -2.246 737 1HD2 LEU 95 1HD2 LEU 95 6.739 -3.971 -2.406 738 2HD2 LEU 95 2HD2 LEU 95 5.548 -3.623 -1.128 739 3HD2 LEU 95 3HD2 LEU 95 5.072 -3.578 -2.841 740 H THR 96 H THR 96 8.448 -8.878 -1.523 741 HA THR 96 HA THR 96 10.470 -8.619 0.489 742 HB THR 96 HB THR 96 8.712 -8.617 2.120 743 HG1 THR 96 HG1 THR 96 9.040 -10.525 3.147 744 1HG2 THR 96 1HG2 THR 96 7.435 -10.945 0.643 745 2HG2 THR 96 2HG2 THR 96 6.752 -9.304 0.787 746 3HG2 THR 96 3HG2 THR 96 6.926 -10.324 2.223 747 H LYS 97 H LYS 97 11.846 -10.403 0.406 748 HA LYS 97 HA LYS 97 11.701 -12.154 -1.840 749 1HB LYS 97 1HB LYS 97 13.194 -12.694 0.761 750 2HB LYS 97 2HB LYS 97 13.518 -13.399 -0.822 751 1HG LYS 97 1HG LYS 97 13.867 -10.475 -0.056 752 2HG LYS 97 2HG LYS 97 15.155 -11.664 -0.191 753 1HD LYS 97 1HD LYS 97 13.518 -11.350 -2.642 754 2HD LYS 97 2HD LYS 97 14.392 -9.901 -2.167 755 1HE LYS 97 1HE LYS 97 15.693 -12.626 -2.526 756 2HE LYS 97 2HE LYS 97 15.499 -11.462 -3.830 757 1HZ LYS 97 1HZ LYS 97 16.855 -9.898 -2.681 758 2HZ LYS 97 2HZ LYS 97 17.666 -11.317 -2.820 759 3HZ LYS 97 3HZ LYS 97 17.007 -10.857 -1.372 760 H LYS 98 H LYS 98 10.203 -12.326 1.358 761 HA LYS 98 HA LYS 98 9.500 -15.123 1.209 762 1HB LYS 98 1HB LYS 98 8.530 -12.746 2.850 763 2HB LYS 98 2HB LYS 98 7.766 -14.308 3.004 764 1HG LYS 98 1HG LYS 98 10.733 -13.816 3.525 765 2HG LYS 98 2HG LYS 98 9.455 -13.992 4.735 766 1HD LYS 98 1HD LYS 98 10.035 -16.198 4.727 767 2HD LYS 98 2HD LYS 98 9.006 -16.241 3.289 768 1HE LYS 98 1HE LYS 98 10.882 -17.339 2.521 769 2HE LYS 98 2HE LYS 98 11.198 -15.700 1.957 770 1HZ LYS 98 1HZ LYS 98 12.652 -15.435 3.942 771 2HZ LYS 98 2HZ LYS 98 13.121 -16.578 2.898 772 3HZ LYS 98 3HZ LYS 98 12.396 -17.054 4.276 773 H SER 99 H SER 99 8.331 -12.767 -0.887 774 HA SER 99 HA SER 99 6.439 -14.786 -1.673 775 1HB SER 99 1HB SER 99 4.540 -12.769 -1.674 776 2HB SER 99 2HB SER 99 4.664 -14.077 -0.508 777 HG SER 99 HG SER 99 5.915 -11.579 -0.163 778 H GLY 100 H GLY 100 8.331 -12.028 -2.455 779 1HA GLY 100 1HA GLY 100 8.537 -10.618 -4.156 780 2HA GLY 100 2HA GLY 100 8.332 -12.010 -5.189 781 H VAL 101 H VAL 101 5.920 -10.461 -3.024 782 HA VAL 101 HA VAL 101 3.844 -10.171 -4.965 783 HB VAL 101 HB VAL 101 4.468 -8.462 -2.532 784 1HG1 VAL 101 1HG1 VAL 101 2.733 -7.473 -3.921 785 2HG1 VAL 101 2HG1 VAL 101 1.802 -9.002 -3.882 786 3HG1 VAL 101 3HG1 VAL 101 2.094 -8.048 -2.403 787 1HG2 VAL 101 1HG2 VAL 101 3.252 -11.186 -2.658 788 2HG2 VAL 101 2HG2 VAL 101 4.432 -10.444 -1.512 789 3HG2 VAL 101 3HG2 VAL 101 2.716 -10.027 -1.433 790 H VAL 102 H VAL 102 3.613 -8.536 -6.568 791 HA VAL 102 HA VAL 102 5.436 -6.195 -6.325 792 HB VAL 102 HB VAL 102 4.559 -7.020 -9.080 793 1HG1 VAL 102 1HG1 VAL 102 6.505 -6.064 -9.762 794 2HG1 VAL 102 2HG1 VAL 102 5.762 -4.970 -8.576 795 3HG1 VAL 102 3HG1 VAL 102 7.164 -6.019 -8.137 796 1HG2 VAL 102 1HG2 VAL 102 6.628 -8.432 -9.354 797 2HG2 VAL 102 2HG2 VAL 102 6.856 -8.414 -7.605 798 3HG2 VAL 102 3HG2 VAL 102 5.444 -9.222 -8.314 799 H LEU 103 H LEU 103 4.471 -4.276 -6.457 800 HA LEU 103 HA LEU 103 1.669 -3.861 -6.239 801 1HB LEU 103 1HB LEU 103 3.980 -2.184 -7.223 802 2HB LEU 103 2HB LEU 103 2.417 -1.515 -7.065 803 HG LEU 103 HG LEU 103 4.420 -2.277 -4.987 804 1HD1 LEU 103 1HD1 LEU 103 3.915 0.086 -5.717 805 2HD1 LEU 103 2HD1 LEU 103 3.662 -0.140 -3.978 806 3HD1 LEU 103 3HD1 LEU 103 2.275 -0.098 -5.093 807 1HD2 LEU 103 1HD2 LEU 103 2.631 -3.679 -4.145 808 2HD2 LEU 103 2HD2 LEU 103 1.498 -2.313 -4.222 809 3HD2 LEU 103 3HD2 LEU 103 2.876 -2.254 -3.105 810 H HIS 104 H HIS 104 0.190 -3.553 -7.749 811 HA HIS 104 HA HIS 104 0.863 -3.411 -10.648 812 1HB HIS 104 1HB HIS 104 -0.022 -5.782 -9.171 813 2HB HIS 104 2HB HIS 104 -0.986 -5.472 -10.619 814 HD1 HIS 104 HD1 HIS 104 0.986 -5.125 -12.887 815 HD2 HIS 104 HD2 HIS 104 1.831 -7.449 -9.463 816 HE1 HIS 104 HE1 HIS 104 2.814 -6.702 -13.544 817 H ARG 105 H ARG 105 -1.706 -3.251 -8.056 818 HA ARG 105 HA ARG 105 -3.059 -1.349 -9.765 819 1HB ARG 105 1HB ARG 105 -3.984 -3.739 -10.286 820 2HB ARG 105 2HB ARG 105 -4.616 -3.710 -8.644 821 1HG ARG 105 1HG ARG 105 -6.420 -3.029 -9.973 822 2HG ARG 105 2HG ARG 105 -5.792 -1.518 -9.306 823 1HD ARG 105 1HD ARG 105 -4.547 -1.103 -11.411 824 2HD ARG 105 2HD ARG 105 -5.307 -2.538 -12.099 825 HE ARG 105 HE ARG 105 -6.748 -0.153 -11.023 826 1HH1 ARG 105 2HH1 ARG 105 -6.673 -2.751 -13.549 827 2HH1 ARG 105 1HH1 ARG 105 -7.957 -1.998 -14.445 828 1HH2 ARG 105 2HH2 ARG 105 -8.714 0.400 -11.940 829 2HH2 ARG 105 1HH2 ARG 105 -9.273 -0.301 -13.405 830 H ALA 106 H ALA 106 -4.444 0.124 -8.471 831 HA ALA 106 HA ALA 106 -4.191 -0.204 -5.514 832 1HB ALA 106 1HB ALA 106 -4.041 2.255 -7.287 833 2HB ALA 106 2HB ALA 106 -4.235 2.282 -5.515 834 3HB ALA 106 3HB ALA 106 -2.765 1.576 -6.259 835 H VAL 107 H VAL 107 -6.167 -0.436 -4.507 836 HA VAL 107 HA VAL 107 -8.617 -0.111 -5.933 837 HB VAL 107 HB VAL 107 -8.365 -0.315 -2.907 838 1HG1 VAL 107 1HG1 VAL 107 -10.454 -1.295 -4.923 839 2HG1 VAL 107 2HG1 VAL 107 -10.576 -1.403 -3.158 840 3HG1 VAL 107 3HG1 VAL 107 -10.625 0.177 -3.927 841 1HG2 VAL 107 1HG2 VAL 107 -8.711 -2.774 -3.204 842 2HG2 VAL 107 2HG2 VAL 107 -8.208 -2.592 -4.890 843 3HG2 VAL 107 3HG2 VAL 107 -7.094 -2.177 -3.545 844 HA PRO 108 HA PRO 108 -8.980 4.246 -4.838 845 1HB PRO 108 1HB PRO 108 -11.073 4.912 -6.345 846 2HB PRO 108 2HB PRO 108 -9.459 4.601 -7.064 847 1HG PRO 108 1HG PRO 108 -11.857 2.740 -6.984 848 2HG PRO 108 2HG PRO 108 -10.678 2.984 -8.314 849 1HD PRO 108 1HD PRO 108 -10.641 0.934 -6.414 850 2HD PRO 108 2HD PRO 108 -9.249 1.459 -7.412 851 H SER 109 H SER 109 -9.593 4.345 -2.792 852 HA SER 109 HA SER 109 -12.296 3.654 -1.855 853 1HB SER 109 1HB SER 109 -10.057 3.835 -0.489 854 2HB SER 109 2HB SER 109 -10.376 5.571 -0.485 855 HG SER 109 HG SER 109 -11.684 5.150 1.102 856 H GLY 110 H GLY 110 -10.438 6.515 -2.855 857 1HA GLY 110 1HA GLY 110 -11.611 8.482 -3.929 858 2HA GLY 110 2HA GLY 110 -12.812 8.284 -2.634 859 HA PRO 111 HA PRO 111 -8.757 10.490 -1.458 860 1HB PRO 111 1HB PRO 111 -9.463 13.160 -1.382 861 2HB PRO 111 2HB PRO 111 -8.900 12.308 -2.849 862 1HG PRO 111 1HG PRO 111 -11.761 12.822 -1.999 863 2HG PRO 111 2HG PRO 111 -11.005 13.133 -3.600 864 1HD PRO 111 1HD PRO 111 -12.435 10.875 -3.145 865 2HD PRO 111 2HD PRO 111 -10.910 10.803 -4.089 866 H SER 112 H SER 112 -12.010 10.745 -0.180 867 HA SER 112 HA SER 112 -10.942 11.372 2.526 868 1HB SER 112 1HB SER 112 -12.601 12.991 1.586 869 2HB SER 112 2HB SER 112 -13.770 11.659 1.446 870 HG SER 112 HG SER 112 -14.145 12.657 3.338 871 H SER 113 H SER 113 -11.197 9.893 4.060 872 HA SER 113 HA SER 113 -12.925 7.669 4.240 873 1HB SER 113 1HB SER 113 -10.180 7.274 2.997 874 2HB SER 113 2HB SER 113 -10.951 5.995 3.958 875 HG SER 113 HG SER 113 -12.161 7.347 1.782 876 H GLY 114 H GLY 114 -11.524 6.142 5.945 877 1HA GLY 114 1HA GLY 114 -10.420 6.125 8.041 878 2HA GLY 114 2HA GLY 114 -10.345 7.890 8.042 Start of MODEL 13 1 1H GLY 1 H GLY 1 -11.096 6.384 -24.425 2 1HA GLY 1 1HA GLY 1 -10.095 7.533 -22.522 3 2HA GLY 1 2HA GLY 1 -11.692 7.507 -21.743 4 H SER 2 H SER 2 -8.706 5.870 -21.946 5 HA SER 2 HA SER 2 -9.807 3.168 -21.756 6 1HB SER 2 1HB SER 2 -6.902 4.019 -21.688 7 2HB SER 2 2HB SER 2 -7.601 2.487 -22.226 8 HG SER 2 HG SER 2 -7.230 3.537 -24.079 9 H SER 3 H SER 3 -7.437 5.169 -19.940 10 HA SER 3 HA SER 3 -8.462 4.425 -17.373 11 1HB SER 3 1HB SER 3 -7.051 2.429 -18.127 12 2HB SER 3 2HB SER 3 -5.654 3.512 -18.120 13 HG SER 3 HG SER 3 -6.125 2.176 -16.186 14 H GLY 4 H GLY 4 -6.671 5.449 -15.720 15 1HA GLY 4 1HA GLY 4 -5.412 7.893 -16.900 16 2HA GLY 4 2HA GLY 4 -6.586 8.072 -15.586 17 H SER 5 H SER 5 -3.802 8.899 -15.542 18 HA SER 5 HA SER 5 -2.287 6.875 -14.107 19 1HB SER 5 1HB SER 5 -0.545 8.768 -14.219 20 2HB SER 5 2HB SER 5 -1.015 7.933 -15.689 21 HG SER 5 HG SER 5 -1.314 9.829 -16.415 22 H SER 6 H SER 6 -4.020 6.911 -12.377 23 HA SER 6 HA SER 6 -3.899 9.007 -10.389 24 1HB SER 6 1HB SER 6 -5.122 6.225 -10.301 25 2HB SER 6 2HB SER 6 -5.522 7.608 -9.262 26 HG SER 6 HG SER 6 -6.246 8.705 -11.140 27 H GLY 7 H GLY 7 -1.375 8.586 -10.586 28 1HA GLY 7 1HA GLY 7 -0.340 6.507 -8.784 29 2HA GLY 7 2HA GLY 7 0.595 7.736 -9.649 30 H GLU 8 H GLU 8 -1.024 9.987 -8.799 31 HA GLU 8 HA GLU 8 -1.120 11.571 -7.177 32 1HB GLU 8 1HB GLU 8 -2.201 9.140 -5.696 33 2HB GLU 8 2HB GLU 8 -2.416 10.824 -5.202 34 1HG GLU 8 1HG GLU 8 -3.318 11.232 -7.590 35 2HG GLU 8 2HG GLU 8 -3.403 9.482 -7.764 36 H VAL 9 H VAL 9 1.513 10.317 -7.354 37 HA VAL 9 HA VAL 9 2.656 9.474 -5.090 38 HB VAL 9 HB VAL 9 4.084 11.276 -7.077 39 1HG1 VAL 9 1HG1 VAL 9 5.885 9.597 -6.798 40 2HG1 VAL 9 2HG1 VAL 9 5.389 10.431 -5.321 41 3HG1 VAL 9 3HG1 VAL 9 4.862 8.766 -5.584 42 1HG2 VAL 9 1HG2 VAL 9 2.749 10.014 -8.606 43 2HG2 VAL 9 2HG2 VAL 9 4.329 9.264 -8.583 44 3HG2 VAL 9 3HG2 VAL 9 2.986 8.508 -7.692 45 H GLN 10 H GLN 10 2.570 12.809 -6.252 46 HA GLN 10 HA GLN 10 4.119 13.808 -4.008 47 1HB GLN 10 1HB GLN 10 2.770 15.252 -6.332 48 2HB GLN 10 2HB GLN 10 3.995 15.941 -5.271 49 1HG GLN 10 1HG GLN 10 4.365 13.607 -7.193 50 2HG GLN 10 2HG GLN 10 4.935 15.255 -7.441 51 1HE2 GLN 10 2HE2 GLN 10 6.396 12.484 -7.052 52 2HE2 GLN 10 1HE2 GLN 10 7.637 12.905 -5.906 53 H LYS 11 H LYS 11 0.866 13.152 -4.431 54 HA LYS 11 HA LYS 11 -0.340 15.426 -3.025 55 1HB LYS 11 1HB LYS 11 -1.344 12.558 -3.451 56 2HB LYS 11 2HB LYS 11 -2.302 13.854 -2.814 57 1HG LYS 11 1HG LYS 11 -1.743 15.115 -5.009 58 2HG LYS 11 2HG LYS 11 -1.249 13.523 -5.627 59 1HD LYS 11 1HD LYS 11 -3.559 12.667 -4.875 60 2HD LYS 11 2HD LYS 11 -3.969 14.329 -4.523 61 1HE LYS 11 1HE LYS 11 -3.280 13.201 -7.257 62 2HE LYS 11 2HE LYS 11 -4.872 13.711 -6.670 63 1HZ LYS 11 1HZ LYS 11 -2.537 15.382 -7.288 64 2HZ LYS 11 2HZ LYS 11 -3.798 15.954 -6.360 65 3HZ LYS 11 3HZ LYS 11 -4.053 15.502 -7.903 66 HA PRO 12 HA PRO 12 0.424 14.018 1.145 67 1HB PRO 12 1HB PRO 12 -2.020 14.434 2.363 68 2HB PRO 12 2HB PRO 12 -0.811 15.706 2.051 69 1HG PRO 12 1HG PRO 12 -3.305 15.047 0.520 70 2HG PRO 12 2HG PRO 12 -2.619 16.652 0.905 71 1HD PRO 12 1HD PRO 12 -2.329 15.418 -1.526 72 2HD PRO 12 2HD PRO 12 -1.115 16.533 -0.894 73 H LEU 13 H LEU 13 -0.298 12.300 2.603 74 HA LEU 13 HA LEU 13 -1.273 9.934 1.276 75 1HB LEU 13 1HB LEU 13 0.354 10.033 3.112 76 2HB LEU 13 2HB LEU 13 -0.902 10.568 4.226 77 HG LEU 13 HG LEU 13 -1.255 7.913 2.742 78 1HD1 LEU 13 1HD1 LEU 13 1.058 8.110 3.877 79 2HD1 LEU 13 2HD1 LEU 13 0.012 6.770 4.397 80 3HD1 LEU 13 3HD1 LEU 13 0.198 8.216 5.406 81 1HD2 LEU 13 1HD2 LEU 13 -2.052 8.818 5.556 82 2HD2 LEU 13 2HD2 LEU 13 -2.460 7.305 4.748 83 3HD2 LEU 13 3HD2 LEU 13 -3.151 8.799 4.161 84 H HIS 14 H HIS 14 -2.750 12.503 3.258 85 HA HIS 14 HA HIS 14 -5.067 11.075 3.879 86 1HB HIS 14 1HB HIS 14 -5.940 13.054 4.740 87 2HB HIS 14 2HB HIS 14 -4.214 13.215 4.965 88 HD1 HIS 14 HD1 HIS 14 -7.038 14.492 2.659 89 HD2 HIS 14 HD2 HIS 14 -3.235 15.552 4.107 90 HE1 HIS 14 HE1 HIS 14 -6.607 16.884 1.866 91 H GLU 15 H GLU 15 -4.275 12.135 0.668 92 HA GLU 15 HA GLU 15 -7.069 12.525 -0.072 93 1HB GLU 15 1HB GLU 15 -5.784 14.502 -0.226 94 2HB GLU 15 2HB GLU 15 -4.394 13.655 -0.928 95 1HG GLU 15 1HG GLU 15 -5.377 13.354 -2.957 96 2HG GLU 15 2HG GLU 15 -7.026 13.692 -2.350 97 H GLN 16 H GLN 16 -4.698 10.158 -0.035 98 HA GLN 16 HA GLN 16 -4.557 9.315 -2.740 99 1HB GLN 16 1HB GLN 16 -4.256 7.754 -0.143 100 2HB GLN 16 2HB GLN 16 -3.749 7.150 -1.715 101 1HG GLN 16 1HG GLN 16 -2.664 9.652 -0.394 102 2HG GLN 16 2HG GLN 16 -1.893 8.069 -0.344 103 1HE2 GLN 16 2HE2 GLN 16 -1.248 10.890 -1.585 104 2HE2 GLN 16 1HE2 GLN 16 -0.688 10.421 -3.190 105 H LEU 17 H LEU 17 -5.196 7.043 -3.327 106 HA LEU 17 HA LEU 17 -8.152 6.842 -3.207 107 1HB LEU 17 1HB LEU 17 -7.802 5.321 -5.170 108 2HB LEU 17 2HB LEU 17 -7.599 7.006 -5.430 109 HG LEU 17 HG LEU 17 -5.181 5.223 -4.948 110 1HD1 LEU 17 1HD1 LEU 17 -6.611 5.627 -7.597 111 2HD1 LEU 17 2HD1 LEU 17 -6.514 4.102 -6.690 112 3HD1 LEU 17 3HD1 LEU 17 -5.043 4.812 -7.380 113 1HD2 LEU 17 1HD2 LEU 17 -4.773 7.697 -5.100 114 2HD2 LEU 17 2HD2 LEU 17 -5.528 7.678 -6.699 115 3HD2 LEU 17 3HD2 LEU 17 -4.014 6.798 -6.408 116 H TRP 18 H TRP 18 -5.281 4.720 -3.175 117 HA TRP 18 HA TRP 18 -6.698 2.432 -2.182 118 1HB TRP 18 1HB TRP 18 -4.249 1.688 -1.893 119 2HB TRP 18 2HB TRP 18 -4.806 2.056 -3.471 120 HD1 TRP 18 HD1 TRP 18 -3.317 3.636 -4.845 121 HE1 TRP 18 HE1 TRP 18 -1.342 5.165 -4.379 122 HE3 TRP 18 HE3 TRP 18 -3.289 3.440 0.291 123 HZ2 TRP 18 HZ2 TRP 18 0.048 6.193 -2.130 124 HZ3 TRP 18 HZ3 TRP 18 -1.633 4.748 1.578 125 HH2 TRP 18 HH2 TRP 18 0.074 6.083 0.416 126 H TYR 19 H TYR 19 -5.899 5.289 -0.561 127 HA TYR 19 HA TYR 19 -5.196 4.026 2.009 128 1HB TYR 19 1HB TYR 19 -4.288 6.182 1.523 129 2HB TYR 19 2HB TYR 19 -5.907 6.873 1.354 130 HD1 TYR 19 HD1 TYR 19 -6.102 8.434 3.095 131 HD2 TYR 19 HD2 TYR 19 -4.471 4.527 4.002 132 HE1 TYR 19 HE1 TYR 19 -6.104 8.978 5.499 133 HE2 TYR 19 HE2 TYR 19 -4.544 5.026 6.383 134 HH TYR 19 HH TYR 19 -5.285 6.686 8.093 135 H HIS 20 H HIS 20 -6.920 2.671 2.765 136 HA HIS 20 HA HIS 20 -9.712 3.692 2.732 137 1HB HIS 20 1HB HIS 20 -8.535 0.957 3.376 138 2HB HIS 20 2HB HIS 20 -10.200 1.447 3.679 139 HD1 HIS 20 HD1 HIS 20 -11.673 0.307 2.076 140 HD2 HIS 20 HD2 HIS 20 -8.086 1.738 0.377 141 HE1 HIS 20 HE1 HIS 20 -11.767 -0.199 -0.405 142 H GLY 21 H GLY 21 -7.148 4.297 4.719 143 1HA GLY 21 1HA GLY 21 -7.211 5.395 6.737 144 2HA GLY 21 2HA GLY 21 -8.917 4.995 6.877 145 H ALA 22 H ALA 22 -9.469 3.441 8.151 146 HA ALA 22 HA ALA 22 -7.670 1.380 9.256 147 1HB ALA 22 1HB ALA 22 -8.792 1.799 11.432 148 2HB ALA 22 2HB ALA 22 -8.000 3.283 10.859 149 3HB ALA 22 3HB ALA 22 -9.745 3.104 10.683 150 H ILE 23 H ILE 23 -8.456 -0.548 8.594 151 HA ILE 23 HA ILE 23 -11.348 -1.089 8.585 152 HB ILE 23 HB ILE 23 -11.566 -1.202 6.401 153 1HG1 ILE 23 1HG1 ILE 23 -9.165 -3.065 6.212 154 2HG1 ILE 23 2HG1 ILE 23 -10.863 -3.487 6.459 155 1HG2 ILE 23 1HG2 ILE 23 -9.982 0.670 6.175 156 2HG2 ILE 23 2HG2 ILE 23 -8.655 -0.487 5.899 157 3HG2 ILE 23 3HG2 ILE 23 -10.000 -0.379 4.779 158 1HD1 ILE 23 1HD1 ILE 23 -10.355 -3.992 4.235 159 2HD1 ILE 23 2HD1 ILE 23 -11.455 -2.595 4.275 160 3HD1 ILE 23 3HD1 ILE 23 -9.714 -2.373 3.930 161 HA PRO 24 HA PRO 24 -9.604 -4.854 10.373 162 1HB PRO 24 1HB PRO 24 -11.553 -6.712 9.885 163 2HB PRO 24 2HB PRO 24 -11.742 -5.398 11.075 164 1HG PRO 24 1HG PRO 24 -12.723 -5.533 8.228 165 2HG PRO 24 2HG PRO 24 -13.642 -4.984 9.667 166 1HD PRO 24 1HD PRO 24 -12.440 -3.290 7.872 167 2HD PRO 24 2HD PRO 24 -12.646 -2.884 9.580 168 H ARG 25 H ARG 25 -8.586 -6.898 9.731 169 HA ARG 25 HA ARG 25 -7.703 -6.892 6.975 170 1HB ARG 25 1HB ARG 25 -6.589 -8.963 7.439 171 2HB ARG 25 2HB ARG 25 -6.374 -7.892 8.822 172 1HG ARG 25 1HG ARG 25 -8.163 -9.105 10.040 173 2HG ARG 25 2HG ARG 25 -8.320 -10.252 8.671 174 1HD ARG 25 1HD ARG 25 -5.985 -10.910 8.959 175 2HD ARG 25 2HD ARG 25 -5.819 -9.645 10.213 176 HE ARG 25 HE ARG 25 -7.885 -11.522 10.867 177 1HH1 ARG 25 2HH1 ARG 25 -4.371 -11.015 10.844 178 2HH1 ARG 25 1HH1 ARG 25 -4.058 -11.978 12.256 179 1HH2 ARG 25 2HH2 ARG 25 -7.470 -12.990 12.610 180 2HH2 ARG 25 1HH2 ARG 25 -5.879 -13.196 13.249 181 H ALA 26 H ALA 26 -10.441 -8.540 8.531 182 HA ALA 26 HA ALA 26 -10.646 -10.563 6.576 183 1HB ALA 26 1HB ALA 26 -12.860 -10.943 7.560 184 2HB ALA 26 2HB ALA 26 -11.625 -10.662 8.812 185 3HB ALA 26 3HB ALA 26 -12.780 -9.374 8.378 186 H GLU 27 H GLU 27 -11.804 -7.225 6.547 187 HA GLU 27 HA GLU 27 -13.634 -7.453 4.359 188 1HB GLU 27 1HB GLU 27 -12.183 -5.237 5.813 189 2HB GLU 27 2HB GLU 27 -13.104 -4.839 4.380 190 1HG GLU 27 1HG GLU 27 -14.217 -6.330 6.787 191 2HG GLU 27 2HG GLU 27 -14.382 -4.598 6.518 192 H VAL 28 H VAL 28 -10.119 -6.991 4.518 193 HA VAL 28 HA VAL 28 -9.553 -5.745 2.148 194 HB VAL 28 HB VAL 28 -8.098 -8.075 3.421 195 1HG1 VAL 28 1HG1 VAL 28 -6.957 -6.213 1.296 196 2HG1 VAL 28 2HG1 VAL 28 -6.114 -7.546 2.157 197 3HG1 VAL 28 3HG1 VAL 28 -7.396 -7.902 1.046 198 1HG2 VAL 28 1HG2 VAL 28 -7.484 -5.098 3.564 199 2HG2 VAL 28 2HG2 VAL 28 -8.305 -6.018 4.831 200 3HG2 VAL 28 3HG2 VAL 28 -6.634 -6.411 4.410 201 H ALA 29 H ALA 29 -9.899 -9.308 2.456 202 HA ALA 29 HA ALA 29 -9.298 -9.816 -0.253 203 1HB ALA 29 1HB ALA 29 -9.421 -11.474 1.688 204 2HB ALA 29 2HB ALA 29 -11.166 -11.563 1.337 205 3HB ALA 29 3HB ALA 29 -9.973 -12.022 0.085 206 H GLU 30 H GLU 30 -12.181 -8.444 0.974 207 HA GLU 30 HA GLU 30 -13.891 -9.292 -1.243 208 1HB GLU 30 1HB GLU 30 -15.504 -9.083 0.270 209 2HB GLU 30 2HB GLU 30 -14.274 -8.806 1.468 210 1HG GLU 30 1HG GLU 30 -15.461 -7.033 2.003 211 2HG GLU 30 2HG GLU 30 -14.605 -6.222 0.709 212 H LEU 31 H LEU 31 -11.863 -6.636 -0.241 213 HA LEU 31 HA LEU 31 -12.920 -4.623 -2.101 214 1HB LEU 31 1HB LEU 31 -10.300 -4.768 -0.543 215 2HB LEU 31 2HB LEU 31 -10.870 -3.393 -1.458 216 HG LEU 31 HG LEU 31 -12.334 -4.552 0.974 217 1HD1 LEU 31 1HD1 LEU 31 -11.458 -2.422 2.039 218 2HD1 LEU 31 2HD1 LEU 31 -10.379 -2.236 0.655 219 3HD1 LEU 31 3HD1 LEU 31 -10.235 -3.660 1.706 220 1HD2 LEU 31 1HD2 LEU 31 -13.882 -3.320 -0.423 221 2HD2 LEU 31 2HD2 LEU 31 -12.720 -2.023 -0.707 222 3HD2 LEU 31 3HD2 LEU 31 -13.424 -2.234 0.904 223 H LEU 32 H LEU 32 -10.029 -6.651 -1.758 224 HA LEU 32 HA LEU 32 -9.044 -6.026 -4.430 225 1HB LEU 32 1HB LEU 32 -8.114 -8.517 -3.054 226 2HB LEU 32 2HB LEU 32 -7.201 -7.326 -3.977 227 HG LEU 32 HG LEU 32 -8.100 -7.037 -1.107 228 1HD1 LEU 32 1HD1 LEU 32 -5.701 -7.104 -0.627 229 2HD1 LEU 32 2HD1 LEU 32 -5.435 -7.402 -2.352 230 3HD1 LEU 32 3HD1 LEU 32 -6.307 -8.605 -1.367 231 1HD2 LEU 32 1HD2 LEU 32 -8.036 -4.822 -1.539 232 2HD2 LEU 32 2HD2 LEU 32 -7.140 -5.013 -3.030 233 3HD2 LEU 32 3HD2 LEU 32 -6.253 -5.055 -1.536 234 H VAL 33 H VAL 33 -8.730 -7.743 -6.080 235 HA VAL 33 HA VAL 33 -10.804 -9.844 -6.126 236 HB VAL 33 HB VAL 33 -10.489 -7.907 -8.440 237 1HG1 VAL 33 1HG1 VAL 33 -12.764 -9.804 -7.688 238 2HG1 VAL 33 2HG1 VAL 33 -12.553 -8.902 -9.220 239 3HG1 VAL 33 3HG1 VAL 33 -11.458 -10.213 -8.815 240 1HG2 VAL 33 1HG2 VAL 33 -12.634 -6.843 -7.824 241 2HG2 VAL 33 2HG2 VAL 33 -12.615 -7.706 -6.267 242 3HG2 VAL 33 3HG2 VAL 33 -11.362 -6.499 -6.657 243 H HIS 34 H HIS 34 -8.061 -8.192 -7.752 244 HA HIS 34 HA HIS 34 -7.135 -10.843 -8.785 245 1HB HIS 34 1HB HIS 34 -6.877 -8.079 -10.033 246 2HB HIS 34 2HB HIS 34 -6.322 -9.602 -10.737 247 HD1 HIS 34 HD1 HIS 34 -8.531 -11.482 -10.952 248 HD2 HIS 34 HD2 HIS 34 -9.266 -7.334 -10.788 249 HE1 HIS 34 HE1 HIS 34 -10.953 -11.147 -11.695 250 H SER 35 H SER 35 -4.814 -10.984 -9.138 251 HA SER 35 HA SER 35 -3.439 -10.328 -6.745 252 1HB SER 35 1HB SER 35 -1.513 -11.472 -7.953 253 2HB SER 35 2HB SER 35 -2.986 -12.427 -7.732 254 HG SER 35 HG SER 35 -2.256 -11.000 -10.067 255 H GLY 36 H GLY 36 -3.120 -8.179 -6.457 256 1HA GLY 36 1HA GLY 36 -1.132 -6.606 -7.355 257 2HA GLY 36 2HA GLY 36 -2.258 -6.545 -8.741 258 H ASP 37 H ASP 37 -4.641 -6.666 -7.044 259 HA ASP 37 HA ASP 37 -5.311 -3.900 -6.584 260 1HB ASP 37 1HB ASP 37 -6.493 -6.569 -5.860 261 2HB ASP 37 2HB ASP 37 -7.110 -5.121 -5.088 262 H PHE 38 H PHE 38 -4.164 -2.767 -5.053 263 HA PHE 38 HA PHE 38 -3.864 -3.956 -2.311 264 1HB PHE 38 1HB PHE 38 -1.827 -2.708 -1.991 265 2HB PHE 38 2HB PHE 38 -1.649 -3.620 -3.484 266 HD1 PHE 38 HD1 PHE 38 -1.337 -2.639 -5.604 267 HD2 PHE 38 HD2 PHE 38 -2.082 -0.199 -2.126 268 HE1 PHE 38 HE1 PHE 38 -0.882 -0.607 -6.952 269 HE2 PHE 38 HE2 PHE 38 -1.515 1.822 -3.464 270 HZ PHE 38 HZ PHE 38 -1.030 1.618 -5.874 271 H LEU 39 H LEU 39 -4.161 -2.680 -0.490 272 HA LEU 39 HA LEU 39 -5.035 0.066 -0.845 273 1HB LEU 39 1HB LEU 39 -6.842 -0.165 0.638 274 2HB LEU 39 2HB LEU 39 -7.086 -1.317 -0.650 275 HG LEU 39 HG LEU 39 -5.609 -2.613 1.520 276 1HD1 LEU 39 1HD1 LEU 39 -7.153 -2.445 3.339 277 2HD1 LEU 39 2HD1 LEU 39 -8.144 -1.270 2.431 278 3HD1 LEU 39 3HD1 LEU 39 -6.488 -0.853 2.925 279 1HD2 LEU 39 1HD2 LEU 39 -6.828 -3.999 0.214 280 2HD2 LEU 39 2HD2 LEU 39 -8.291 -2.992 0.235 281 3HD2 LEU 39 3HD2 LEU 39 -7.828 -3.934 1.663 282 H VAL 40 H VAL 40 -4.971 1.068 1.392 283 HA VAL 40 HA VAL 40 -2.988 -0.183 3.204 284 HB VAL 40 HB VAL 40 -3.233 2.770 2.504 285 1HG1 VAL 40 1HG1 VAL 40 -1.489 1.299 4.530 286 2HG1 VAL 40 2HG1 VAL 40 -1.205 2.966 3.981 287 3HG1 VAL 40 3HG1 VAL 40 -2.688 2.575 4.873 288 1HG2 VAL 40 1HG2 VAL 40 -0.956 2.483 1.691 289 2HG2 VAL 40 2HG2 VAL 40 -0.964 0.770 2.137 290 3HG2 VAL 40 3HG2 VAL 40 -2.014 1.361 0.829 291 H ARG 41 H ARG 41 -3.676 -0.332 5.168 292 HA ARG 41 HA ARG 41 -6.160 1.020 6.039 293 1HB ARG 41 1HB ARG 41 -6.844 -1.117 7.093 294 2HB ARG 41 2HB ARG 41 -6.635 -1.351 5.327 295 1HG ARG 41 1HG ARG 41 -4.395 -2.275 5.753 296 2HG ARG 41 2HG ARG 41 -4.635 -2.117 7.507 297 1HD ARG 41 1HD ARG 41 -6.433 -3.783 5.716 298 2HD ARG 41 2HD ARG 41 -4.927 -4.357 6.442 299 HE ARG 41 HE ARG 41 -7.238 -3.306 8.024 300 1HH1 ARG 41 2HH1 ARG 41 -4.747 -5.831 7.733 301 2HH1 ARG 41 1HH1 ARG 41 -4.670 -6.124 9.442 302 1HH2 ARG 41 2HH2 ARG 41 -7.220 -3.754 10.175 303 2HH2 ARG 41 1HH2 ARG 41 -6.312 -5.120 10.822 304 H GLU 42 H GLU 42 -6.183 0.894 8.530 305 HA GLU 42 HA GLU 42 -3.477 1.123 9.678 306 1HB GLU 42 1HB GLU 42 -5.110 2.959 9.883 307 2HB GLU 42 2HB GLU 42 -6.229 1.889 10.695 308 1HG GLU 42 1HG GLU 42 -4.027 1.593 12.325 309 2HG GLU 42 2HG GLU 42 -3.605 3.113 11.582 310 H SER 43 H SER 43 -2.947 -0.056 11.568 311 HA SER 43 HA SER 43 -4.051 -2.716 11.892 312 1HB SER 43 1HB SER 43 -1.657 -1.822 12.413 313 2HB SER 43 2HB SER 43 -2.388 -1.124 13.870 314 HG SER 43 HG SER 43 -1.388 -3.274 13.990 315 H GLN 44 H GLN 44 -4.976 -3.272 14.182 316 HA GLN 44 HA GLN 44 -7.309 -1.533 14.414 317 1HB GLN 44 1HB GLN 44 -6.802 -4.010 16.076 318 2HB GLN 44 2HB GLN 44 -8.325 -3.279 15.662 319 1HG GLN 44 1HG GLN 44 -6.451 -4.625 13.681 320 2HG GLN 44 2HG GLN 44 -7.758 -5.406 14.525 321 1HE2 GLN 44 2HE2 GLN 44 -7.465 -2.307 12.510 322 2HE2 GLN 44 1HE2 GLN 44 -8.948 -2.647 11.676 323 H GLY 45 H GLY 45 -6.491 0.444 15.299 324 1HA GLY 45 1HA GLY 45 -6.490 1.794 17.162 325 2HA GLY 45 2HA GLY 45 -6.402 0.394 18.219 326 H LYS 46 H LYS 46 -4.044 0.660 15.633 327 HA LYS 46 HA LYS 46 -1.974 1.652 17.524 328 1HB LYS 46 1HB LYS 46 -1.167 -0.266 15.371 329 2HB LYS 46 2HB LYS 46 -0.367 0.120 16.869 330 1HG LYS 46 1HG LYS 46 -2.858 -1.624 16.586 331 2HG LYS 46 2HG LYS 46 -1.206 -2.206 16.770 332 1HD LYS 46 1HD LYS 46 -1.033 -1.439 19.018 333 2HD LYS 46 2HD LYS 46 -2.444 -0.404 18.863 334 1HE LYS 46 1HE LYS 46 -3.278 -2.201 20.089 335 2HE LYS 46 2HE LYS 46 -3.832 -2.505 18.436 336 1HZ LYS 46 1HZ LYS 46 -1.494 -3.790 19.724 337 2HZ LYS 46 2HZ LYS 46 -1.989 -4.090 18.190 338 3HZ LYS 46 3HZ LYS 46 -2.941 -4.498 19.444 339 H GLN 47 H GLN 47 -0.643 3.189 16.557 340 HA GLN 47 HA GLN 47 -1.730 4.607 14.328 341 1HB GLN 47 1HB GLN 47 0.799 4.921 16.009 342 2HB GLN 47 2HB GLN 47 0.247 6.129 14.849 343 1HG GLN 47 1HG GLN 47 -1.787 6.522 16.092 344 2HG GLN 47 2HG GLN 47 -1.442 5.171 17.183 345 1HE2 GLN 47 2HE2 GLN 47 -0.575 5.673 19.084 346 2HE2 GLN 47 1HE2 GLN 47 0.304 7.130 19.473 347 H GLU 48 H GLU 48 -0.807 1.911 13.533 348 HA GLU 48 HA GLU 48 1.498 2.448 11.756 349 1HB GLU 48 1HB GLU 48 2.403 1.141 13.378 350 2HB GLU 48 2HB GLU 48 0.881 0.350 13.816 351 1HG GLU 48 1HG GLU 48 0.983 -1.099 11.885 352 2HG GLU 48 2HG GLU 48 2.428 -0.253 11.277 353 H TYR 49 H TYR 49 1.081 2.083 9.739 354 HA TYR 49 HA TYR 49 -1.545 1.059 8.949 355 1HB TYR 49 1HB TYR 49 0.760 2.280 7.414 356 2HB TYR 49 2HB TYR 49 -0.747 1.746 6.659 357 HD1 TYR 49 HD1 TYR 49 0.906 4.587 7.738 358 HD2 TYR 49 HD2 TYR 49 -2.927 2.642 8.074 359 HE1 TYR 49 HE1 TYR 49 -0.125 6.754 8.291 360 HE2 TYR 49 HE2 TYR 49 -3.953 4.785 8.784 361 HH TYR 49 HH TYR 49 -3.515 7.014 9.398 362 H VAL 50 H VAL 50 -1.755 -0.398 7.159 363 HA VAL 50 HA VAL 50 0.226 -2.588 7.063 364 HB VAL 50 HB VAL 50 -2.760 -2.971 7.228 365 1HG1 VAL 50 1HG1 VAL 50 -2.221 -5.307 7.710 366 2HG1 VAL 50 2HG1 VAL 50 -1.389 -4.821 6.240 367 3HG1 VAL 50 3HG1 VAL 50 -0.477 -4.921 7.753 368 1HG2 VAL 50 1HG2 VAL 50 -2.347 -2.050 9.327 369 2HG2 VAL 50 2HG2 VAL 50 -2.354 -3.805 9.602 370 3HG2 VAL 50 3HG2 VAL 50 -0.815 -2.906 9.455 371 H LEU 51 H LEU 51 0.603 -2.997 5.116 372 HA LEU 51 HA LEU 51 -0.991 -1.962 2.816 373 1HB LEU 51 1HB LEU 51 1.665 -2.303 2.896 374 2HB LEU 51 2HB LEU 51 1.299 -4.005 2.765 375 HG LEU 51 HG LEU 51 -0.072 -3.364 0.635 376 1HD1 LEU 51 1HD1 LEU 51 0.838 -1.274 -0.474 377 2HD1 LEU 51 2HD1 LEU 51 1.615 -0.852 1.072 378 3HD1 LEU 51 3HD1 LEU 51 -0.150 -0.944 0.954 379 1HD2 LEU 51 1HD2 LEU 51 2.955 -3.074 0.689 380 2HD2 LEU 51 2HD2 LEU 51 1.971 -3.475 -0.729 381 3HD2 LEU 51 3HD2 LEU 51 2.062 -4.602 0.644 382 H SER 52 H SER 52 -2.531 -3.251 1.754 383 HA SER 52 HA SER 52 -2.541 -6.167 2.429 384 1HB SER 52 1HB SER 52 -5.051 -4.503 2.392 385 2HB SER 52 2HB SER 52 -4.799 -6.190 2.887 386 HG SER 52 HG SER 52 -3.586 -3.973 4.126 387 H VAL 53 H VAL 53 -2.020 -7.071 0.536 388 HA VAL 53 HA VAL 53 -3.483 -6.289 -1.888 389 HB VAL 53 HB VAL 53 -1.233 -5.211 -1.882 390 1HG1 VAL 53 1HG1 VAL 53 0.789 -6.287 -1.958 391 2HG1 VAL 53 2HG1 VAL 53 -0.057 -7.197 -0.686 392 3HG1 VAL 53 3HG1 VAL 53 0.068 -7.862 -2.313 393 1HG2 VAL 53 1HG2 VAL 53 -1.488 -7.348 -4.051 394 2HG2 VAL 53 2HG2 VAL 53 -2.277 -5.769 -4.062 395 3HG2 VAL 53 3HG2 VAL 53 -0.521 -5.864 -4.133 396 H LEU 54 H LEU 54 -3.668 -8.050 -3.344 397 HA LEU 54 HA LEU 54 -3.780 -10.756 -2.121 398 1HB LEU 54 1HB LEU 54 -5.622 -9.457 -3.463 399 2HB LEU 54 2HB LEU 54 -4.792 -10.045 -4.882 400 HG LEU 54 HG LEU 54 -6.262 -11.736 -4.698 401 1HD1 LEU 54 1HD1 LEU 54 -4.417 -12.748 -2.595 402 2HD1 LEU 54 2HD1 LEU 54 -4.216 -12.855 -4.377 403 3HD1 LEU 54 3HD1 LEU 54 -5.600 -13.634 -3.574 404 1HD2 LEU 54 1HD2 LEU 54 -7.427 -12.379 -2.624 405 2HD2 LEU 54 2HD2 LEU 54 -7.621 -10.690 -3.107 406 3HD2 LEU 54 3HD2 LEU 54 -6.505 -11.113 -1.778 407 H TRP 55 H TRP 55 -2.153 -12.290 -2.709 408 HA TRP 55 HA TRP 55 -0.975 -11.937 -5.382 409 1HB TRP 55 1HB TRP 55 0.562 -10.922 -3.564 410 2HB TRP 55 2HB TRP 55 0.811 -12.551 -3.008 411 HD1 TRP 55 HD1 TRP 55 2.964 -13.532 -4.178 412 HE1 TRP 55 HE1 TRP 55 4.358 -13.028 -6.287 413 HE3 TRP 55 HE3 TRP 55 0.123 -9.754 -6.141 414 HZ2 TRP 55 HZ2 TRP 55 4.283 -11.161 -8.484 415 HZ3 TRP 55 HZ3 TRP 55 0.835 -8.590 -8.171 416 HH2 TRP 55 HH2 TRP 55 2.917 -9.260 -9.370 417 H ASP 56 H ASP 56 -1.194 -13.826 -6.419 418 HA ASP 56 HA ASP 56 -1.988 -15.905 -6.839 419 1HB ASP 56 1HB ASP 56 0.416 -16.145 -6.557 420 2HB ASP 56 2HB ASP 56 0.199 -16.520 -4.841 421 H GLY 57 H GLY 57 -3.859 -14.802 -5.240 422 1HA GLY 57 1HA GLY 57 -5.816 -15.601 -4.414 423 2HA GLY 57 2HA GLY 57 -5.112 -17.182 -4.289 424 H LEU 58 H LEU 58 -3.089 -15.057 -2.636 425 HA LEU 58 HA LEU 58 -4.531 -15.494 -0.039 426 1HB LEU 58 1HB LEU 58 -2.652 -17.010 -0.387 427 2HB LEU 58 2HB LEU 58 -1.562 -15.649 -0.478 428 HG LEU 58 HG LEU 58 -3.181 -16.552 1.939 429 1HD1 LEU 58 1HD1 LEU 58 -1.236 -17.946 1.330 430 2HD1 LEU 58 2HD1 LEU 58 -0.954 -17.107 2.857 431 3HD1 LEU 58 3HD1 LEU 58 -0.181 -16.525 1.361 432 1HD2 LEU 58 1HD2 LEU 58 -2.999 -14.190 2.267 433 2HD2 LEU 58 2HD2 LEU 58 -1.313 -14.160 1.684 434 3HD2 LEU 58 3HD2 LEU 58 -1.738 -14.914 3.239 435 HA PRO 59 HA PRO 59 -4.064 -10.899 -0.136 436 1HB PRO 59 1HB PRO 59 -5.762 -10.413 1.956 437 2HB PRO 59 2HB PRO 59 -6.316 -10.662 0.290 438 1HG PRO 59 1HG PRO 59 -6.165 -12.686 2.528 439 2HG PRO 59 2HG PRO 59 -7.503 -12.426 1.349 440 1HD PRO 59 1HD PRO 59 -5.698 -14.402 1.140 441 2HD PRO 59 2HD PRO 59 -6.376 -13.599 -0.306 442 H ARG 60 H ARG 60 -1.924 -10.912 0.459 443 HA ARG 60 HA ARG 60 -0.982 -11.606 3.122 444 1HB ARG 60 1HB ARG 60 0.178 -9.712 1.055 445 2HB ARG 60 2HB ARG 60 1.049 -10.301 2.451 446 1HG ARG 60 1HG ARG 60 -0.051 -12.276 0.413 447 2HG ARG 60 2HG ARG 60 1.456 -11.438 0.119 448 1HD ARG 60 1HD ARG 60 2.219 -12.255 2.456 449 2HD ARG 60 2HD ARG 60 0.788 -13.304 2.437 450 HE ARG 60 HE ARG 60 2.425 -13.475 0.033 451 1HH1 ARG 60 2HH1 ARG 60 1.809 -15.006 3.205 452 2HH1 ARG 60 1HH1 ARG 60 2.583 -16.488 2.699 453 1HH2 ARG 60 2HH2 ARG 60 3.613 -15.266 -0.433 454 2HH2 ARG 60 1HH2 ARG 60 3.608 -16.654 0.544 455 H HIS 61 H HIS 61 0.263 -9.723 4.387 456 HA HIS 61 HA HIS 61 -1.320 -7.307 4.595 457 1HB HIS 61 1HB HIS 61 -1.950 -7.825 6.977 458 2HB HIS 61 2HB HIS 61 -2.651 -8.978 5.848 459 HD1 HIS 61 HD1 HIS 61 0.212 -8.769 8.384 460 HD2 HIS 61 HD2 HIS 61 -1.893 -11.562 6.051 461 HE1 HIS 61 HE1 HIS 61 0.946 -11.040 9.201 462 H PHE 62 H PHE 62 1.049 -7.358 3.839 463 HA PHE 62 HA PHE 62 3.120 -7.337 5.800 464 1HB PHE 62 1HB PHE 62 3.204 -5.654 3.281 465 2HB PHE 62 2HB PHE 62 4.518 -6.315 4.236 466 HD1 PHE 62 HD1 PHE 62 2.090 -6.980 1.635 467 HD2 PHE 62 HD2 PHE 62 5.047 -8.799 4.119 468 HE1 PHE 62 HE1 PHE 62 2.209 -8.894 0.070 469 HE2 PHE 62 HE2 PHE 62 5.143 -10.756 2.612 470 HZ PHE 62 HZ PHE 62 3.768 -10.807 0.557 471 H ILE 63 H ILE 63 3.341 -6.039 7.479 472 HA ILE 63 HA ILE 63 1.854 -3.640 7.938 473 HB ILE 63 HB ILE 63 4.304 -4.896 9.177 474 1HG1 ILE 63 1HG1 ILE 63 1.930 -5.847 9.500 475 2HG1 ILE 63 2HG1 ILE 63 2.896 -5.568 10.937 476 1HG2 ILE 63 1HG2 ILE 63 4.791 -2.653 9.593 477 2HG2 ILE 63 2HG2 ILE 63 3.105 -2.234 9.941 478 3HG2 ILE 63 3HG2 ILE 63 4.020 -3.257 11.072 479 1HD1 ILE 63 1HD1 ILE 63 1.557 -3.817 11.690 480 2HD1 ILE 63 2HD1 ILE 63 1.069 -3.347 10.070 481 3HD1 ILE 63 3HD1 ILE 63 0.343 -4.781 10.827 482 H ILE 64 H ILE 64 2.373 -1.455 7.607 483 HA ILE 64 HA ILE 64 4.134 -0.914 5.395 484 HB ILE 64 HB ILE 64 2.523 0.803 7.292 485 1HG1 ILE 64 1HG1 ILE 64 1.245 -0.543 5.690 486 2HG1 ILE 64 2HG1 ILE 64 1.041 1.184 5.464 487 1HG2 ILE 64 1HG2 ILE 64 4.169 1.834 4.978 488 2HG2 ILE 64 2HG2 ILE 64 2.885 2.719 5.813 489 3HG2 ILE 64 3HG2 ILE 64 4.327 2.258 6.707 490 1HD1 ILE 64 1HD1 ILE 64 2.504 1.183 3.542 491 2HD1 ILE 64 2HD1 ILE 64 2.787 -0.563 3.732 492 3HD1 ILE 64 3HD1 ILE 64 1.155 0.054 3.366 493 H GLN 65 H GLN 65 5.933 0.200 5.398 494 HA GLN 65 HA GLN 65 7.908 -0.636 7.190 495 1HB GLN 65 1HB GLN 65 8.246 1.671 5.234 496 2HB GLN 65 2HB GLN 65 9.410 0.527 5.738 497 1HG GLN 65 1HG GLN 65 8.888 -0.497 3.754 498 2HG GLN 65 2HG GLN 65 7.589 -1.211 4.650 499 1HE2 GLN 65 2HE2 GLN 65 6.392 1.933 4.331 500 2HE2 GLN 65 1HE2 GLN 65 5.662 1.658 2.743 501 H SER 66 H SER 66 9.596 0.855 8.250 502 HA SER 66 HA SER 66 9.009 3.481 9.105 503 1HB SER 66 1HB SER 66 7.138 2.694 10.294 504 2HB SER 66 2HB SER 66 7.976 1.239 10.827 505 HG SER 66 HG SER 66 7.485 3.083 12.270 506 H LEU 67 H LEU 67 10.870 4.191 9.679 507 HA LEU 67 HA LEU 67 12.895 2.524 11.066 508 1HB LEU 67 1HB LEU 67 14.637 3.794 9.709 509 2HB LEU 67 2HB LEU 67 13.908 2.362 9.036 510 HG LEU 67 HG LEU 67 12.937 5.160 8.271 511 1HD1 LEU 67 1HD1 LEU 67 14.374 4.799 6.202 512 2HD1 LEU 67 2HD1 LEU 67 15.162 3.472 7.072 513 3HD1 LEU 67 3HD1 LEU 67 15.261 5.127 7.690 514 1HD2 LEU 67 1HD2 LEU 67 11.317 3.629 7.502 515 2HD2 LEU 67 2HD2 LEU 67 12.484 2.361 7.303 516 3HD2 LEU 67 3HD2 LEU 67 12.396 3.708 6.121 517 H ASP 68 H ASP 68 13.304 5.844 9.877 518 HA ASP 68 HA ASP 68 13.330 6.702 12.746 519 1HB ASP 68 1HB ASP 68 15.090 7.368 10.375 520 2HB ASP 68 2HB ASP 68 14.891 8.502 11.711 521 H ASN 69 H ASN 69 13.055 8.162 9.496 522 HA ASN 69 HA ASN 69 10.539 9.450 10.272 523 1HB ASN 69 1HB ASN 69 12.537 10.931 10.742 524 2HB ASN 69 2HB ASN 69 12.901 10.897 9.021 525 1HD2 ASN 69 2HD2 ASN 69 12.400 13.007 8.418 526 2HD2 ASN 69 1HD2 ASN 69 10.829 13.754 8.692 527 H LEU 70 H LEU 70 11.528 7.269 8.408 528 HA LEU 70 HA LEU 70 10.290 8.175 5.860 529 1HB LEU 70 1HB LEU 70 12.731 6.380 5.962 530 2HB LEU 70 2HB LEU 70 12.010 7.049 4.554 531 HG LEU 70 HG LEU 70 13.212 8.978 6.550 532 1HD1 LEU 70 1HD1 LEU 70 14.901 7.326 6.351 533 2HD1 LEU 70 2HD1 LEU 70 15.347 8.714 5.299 534 3HD1 LEU 70 3HD1 LEU 70 14.703 7.233 4.578 535 1HD2 LEU 70 1HD2 LEU 70 11.948 9.879 4.639 536 2HD2 LEU 70 2HD2 LEU 70 12.984 8.974 3.510 537 3HD2 LEU 70 3HD2 LEU 70 13.670 10.267 4.501 538 H TYR 71 H TYR 71 10.231 6.024 4.437 539 HA TYR 71 HA TYR 71 9.321 3.635 5.968 540 1HB TYR 71 1HB TYR 71 8.025 4.859 3.464 541 2HB TYR 71 2HB TYR 71 7.405 3.545 4.432 542 HD1 TYR 71 HD1 TYR 71 6.448 4.010 6.703 543 HD2 TYR 71 HD2 TYR 71 7.660 7.148 4.038 544 HE1 TYR 71 HE1 TYR 71 5.307 5.607 8.152 545 HE2 TYR 71 HE2 TYR 71 6.470 8.817 5.466 546 HH TYR 71 HH TYR 71 4.631 7.849 8.373 547 H ARG 72 H ARG 72 10.594 1.812 5.017 548 HA ARG 72 HA ARG 72 11.524 1.986 2.211 549 1HB ARG 72 1HB ARG 72 13.776 1.409 2.863 550 2HB ARG 72 2HB ARG 72 13.336 2.931 3.635 551 1HG ARG 72 1HG ARG 72 14.229 2.008 5.473 552 2HG ARG 72 2HG ARG 72 12.660 1.226 5.604 553 1HD ARG 72 1HD ARG 72 13.797 -0.650 5.831 554 2HD ARG 72 2HD ARG 72 13.851 -0.606 4.077 555 HE ARG 72 HE ARG 72 16.113 -0.191 4.131 556 1HH1 ARG 72 2HH1 ARG 72 14.864 0.249 7.448 557 2HH1 ARG 72 1HH1 ARG 72 16.319 0.950 8.051 558 1HH2 ARG 72 2HH2 ARG 72 18.078 0.464 4.972 559 2HH2 ARG 72 1HH2 ARG 72 18.313 0.746 6.684 560 H LEU 73 H LEU 73 11.748 -0.191 1.292 561 HA LEU 73 HA LEU 73 11.097 -2.388 3.220 562 1HB LEU 73 1HB LEU 73 9.148 -1.392 1.802 563 2HB LEU 73 2HB LEU 73 9.861 -2.259 0.450 564 HG LEU 73 HG LEU 73 9.447 -4.372 1.327 565 1HD1 LEU 73 1HD1 LEU 73 8.862 -2.915 3.960 566 2HD1 LEU 73 2HD1 LEU 73 9.998 -4.249 3.714 567 3HD1 LEU 73 3HD1 LEU 73 8.259 -4.537 3.672 568 1HD2 LEU 73 1HD2 LEU 73 7.090 -2.722 1.974 569 2HD2 LEU 73 2HD2 LEU 73 7.175 -4.402 1.398 570 3HD2 LEU 73 3HD2 LEU 73 7.743 -3.085 0.348 571 H GLU 74 H GLU 74 12.760 -1.528 0.281 572 HA GLU 74 HA GLU 74 13.990 -4.195 0.461 573 1HB GLU 74 1HB GLU 74 12.451 -4.243 -1.452 574 2HB GLU 74 2HB GLU 74 13.277 -2.870 -2.169 575 1HG GLU 74 1HG GLU 74 15.407 -4.222 -2.216 576 2HG GLU 74 2HG GLU 74 14.510 -5.589 -1.530 577 H GLY 75 H GLY 75 14.189 -0.978 -1.087 578 1HA GLY 75 1HA GLY 75 17.143 -0.891 -0.768 579 2HA GLY 75 2HA GLY 75 16.149 -0.112 -2.015 580 H GLU 76 H GLU 76 16.268 2.056 -1.660 581 HA GLU 76 HA GLU 76 16.707 3.160 0.945 582 1HB GLU 76 1HB GLU 76 16.751 5.288 -0.063 583 2HB GLU 76 2HB GLU 76 17.543 4.185 -1.176 584 1HG GLU 76 1HG GLU 76 15.484 4.122 -2.576 585 2HG GLU 76 2HG GLU 76 14.673 5.211 -1.446 586 H GLY 77 H GLY 77 15.344 5.123 1.699 587 1HA GLY 77 1HA GLY 77 12.532 4.242 1.921 588 2HA GLY 77 2HA GLY 77 13.426 5.162 3.141 589 H PHE 78 H PHE 78 10.912 5.993 2.213 590 HA PHE 78 HA PHE 78 11.653 8.528 0.823 591 1HB PHE 78 1HB PHE 78 9.292 6.673 0.394 592 2HB PHE 78 2HB PHE 78 9.105 8.369 0.117 593 HD1 PHE 78 HD1 PHE 78 10.117 9.563 -1.738 594 HD2 PHE 78 HD2 PHE 78 11.024 5.389 -1.060 595 HE1 PHE 78 HE1 PHE 78 10.877 9.335 -4.077 596 HE2 PHE 78 HE2 PHE 78 11.818 5.186 -3.398 597 HZ PHE 78 HZ PHE 78 11.696 7.140 -4.924 598 HA PRO 79 HA PRO 79 9.838 10.437 4.343 599 1HB PRO 79 1HB PRO 79 9.051 12.848 3.408 600 2HB PRO 79 2HB PRO 79 10.777 12.360 3.357 601 1HG PRO 79 1HG PRO 79 8.708 12.120 1.140 602 2HG PRO 79 2HG PRO 79 10.316 12.908 1.036 603 1HD PRO 79 1HD PRO 79 9.932 10.363 0.252 604 2HD PRO 79 2HD PRO 79 11.419 10.826 1.127 605 H SER 80 H SER 80 7.739 9.584 1.701 606 HA SER 80 HA SER 80 5.352 9.812 3.461 607 1HB SER 80 1HB SER 80 5.269 10.415 0.504 608 2HB SER 80 2HB SER 80 4.023 10.644 1.651 609 HG SER 80 HG SER 80 4.867 12.572 1.209 610 H ILE 81 H ILE 81 3.897 8.172 3.077 611 HA ILE 81 HA ILE 81 4.948 5.644 2.111 612 HB ILE 81 HB ILE 81 2.186 6.525 3.060 613 1HG1 ILE 81 1HG1 ILE 81 4.081 4.476 4.273 614 2HG1 ILE 81 2HG1 ILE 81 4.286 6.189 4.633 615 1HG2 ILE 81 1HG2 ILE 81 1.573 4.122 3.018 616 2HG2 ILE 81 2HG2 ILE 81 1.859 4.738 1.400 617 3HG2 ILE 81 3HG2 ILE 81 3.101 3.755 2.202 618 1HD1 ILE 81 1HD1 ILE 81 1.716 4.678 5.217 619 2HD1 ILE 81 2HD1 ILE 81 3.003 5.037 6.382 620 3HD1 ILE 81 3HD1 ILE 81 2.105 6.366 5.640 621 HA PRO 82 HA PRO 82 2.023 6.528 -1.539 622 1HB PRO 82 1HB PRO 82 1.470 9.153 -2.274 623 2HB PRO 82 2HB PRO 82 0.443 8.121 -1.229 624 1HG PRO 82 1HG PRO 82 2.409 10.201 -0.384 625 2HG PRO 82 2HG PRO 82 0.792 9.890 0.295 626 1HD PRO 82 1HD PRO 82 2.890 9.004 1.538 627 2HD PRO 82 2HD PRO 82 1.456 8.005 1.480 628 H LEU 83 H LEU 83 4.729 8.650 -0.822 629 HA LEU 83 HA LEU 83 5.713 8.909 -3.506 630 1HB LEU 83 1HB LEU 83 6.762 9.394 -0.731 631 2HB LEU 83 2HB LEU 83 7.935 9.171 -2.002 632 HG LEU 83 HG LEU 83 5.681 11.150 -2.426 633 1HD1 LEU 83 1HD1 LEU 83 6.884 11.817 -0.313 634 2HD1 LEU 83 2HD1 LEU 83 7.145 12.942 -1.643 635 3HD1 LEU 83 3HD1 LEU 83 8.416 11.782 -1.211 636 1HD2 LEU 83 1HD2 LEU 83 8.526 11.105 -3.448 637 2HD2 LEU 83 2HD2 LEU 83 7.151 12.101 -3.986 638 3HD2 LEU 83 3HD2 LEU 83 7.190 10.358 -4.307 639 H LEU 84 H LEU 84 6.226 6.467 -0.925 640 HA LEU 84 HA LEU 84 8.335 5.148 -2.373 641 1HB LEU 84 1HB LEU 84 7.394 5.110 0.209 642 2HB LEU 84 2HB LEU 84 6.634 3.641 -0.417 643 HG LEU 84 HG LEU 84 9.538 4.272 0.055 644 1HD1 LEU 84 1HD1 LEU 84 9.476 2.131 1.227 645 2HD1 LEU 84 2HD1 LEU 84 7.810 1.852 0.694 646 3HD1 LEU 84 3HD1 LEU 84 8.175 3.191 1.792 647 1HD2 LEU 84 1HD2 LEU 84 8.646 1.976 -1.741 648 2HD2 LEU 84 2HD2 LEU 84 10.272 2.220 -1.076 649 3HD2 LEU 84 3HD2 LEU 84 9.626 3.371 -2.236 650 H ILE 85 H ILE 85 4.829 4.865 -2.185 651 HA ILE 85 HA ILE 85 4.555 2.356 -3.496 652 HB ILE 85 HB ILE 85 2.720 4.780 -3.298 653 1HG1 ILE 85 1HG1 ILE 85 3.199 3.635 -1.177 654 2HG1 ILE 85 2HG1 ILE 85 1.524 3.457 -1.639 655 1HG2 ILE 85 1HG2 ILE 85 0.829 3.291 -4.006 656 2HG2 ILE 85 2HG2 ILE 85 1.977 3.636 -5.304 657 3HG2 ILE 85 3HG2 ILE 85 2.021 2.072 -4.504 658 1HD1 ILE 85 1HD1 ILE 85 1.980 1.120 -2.369 659 2HD1 ILE 85 2HD1 ILE 85 3.704 1.339 -2.001 660 3HD1 ILE 85 3HD1 ILE 85 2.558 1.363 -0.716 661 H ASP 86 H ASP 86 4.962 5.640 -4.893 662 HA ASP 86 HA ASP 86 4.475 4.707 -7.568 663 1HB ASP 86 1HB ASP 86 4.489 7.044 -6.992 664 2HB ASP 86 2HB ASP 86 6.185 6.986 -6.502 665 H HIS 87 H HIS 87 7.458 4.846 -5.596 666 HA HIS 87 HA HIS 87 9.110 4.032 -7.801 667 1HB HIS 87 1HB HIS 87 10.015 5.202 -5.855 668 2HB HIS 87 2HB HIS 87 9.688 3.780 -4.835 669 HD1 HIS 87 HD1 HIS 87 12.342 5.248 -7.049 670 HD2 HIS 87 HD2 HIS 87 11.220 1.523 -5.437 671 HE1 HIS 87 HE1 HIS 87 14.293 3.668 -7.456 672 H LEU 88 H LEU 88 6.788 2.215 -5.897 673 HA LEU 88 HA LEU 88 8.019 -0.363 -6.749 674 1HB LEU 88 1HB LEU 88 5.741 0.498 -4.941 675 2HB LEU 88 2HB LEU 88 5.897 -1.148 -5.550 676 HG LEU 88 HG LEU 88 7.131 0.206 -3.366 677 1HD1 LEU 88 1HD1 LEU 88 6.134 -2.103 -3.498 678 2HD1 LEU 88 2HD1 LEU 88 7.762 -2.166 -2.794 679 3HD1 LEU 88 3HD1 LEU 88 7.515 -2.611 -4.495 680 1HD2 LEU 88 1HD2 LEU 88 9.179 0.712 -4.537 681 2HD2 LEU 88 2HD2 LEU 88 9.336 -0.975 -5.096 682 3HD2 LEU 88 3HD2 LEU 88 9.463 -0.574 -3.380 683 H LEU 89 H LEU 89 5.245 1.781 -7.310 684 HA LEU 89 HA LEU 89 3.853 -0.168 -8.896 685 1HB LEU 89 1HB LEU 89 3.095 2.037 -7.508 686 2HB LEU 89 2HB LEU 89 3.115 2.752 -9.111 687 HG LEU 89 HG LEU 89 1.805 0.076 -8.683 688 1HD1 LEU 89 1HD1 LEU 89 -0.308 1.216 -8.010 689 2HD1 LEU 89 2HD1 LEU 89 0.610 2.713 -7.800 690 3HD1 LEU 89 3HD1 LEU 89 0.991 1.286 -6.799 691 1HD2 LEU 89 1HD2 LEU 89 1.780 0.929 -10.942 692 2HD2 LEU 89 2HD2 LEU 89 0.910 2.391 -10.384 693 3HD2 LEU 89 3HD2 LEU 89 0.152 0.780 -10.235 694 H SER 90 H SER 90 5.813 2.733 -9.615 695 HA SER 90 HA SER 90 5.246 2.397 -12.423 696 1HB SER 90 1HB SER 90 5.533 4.601 -11.042 697 2HB SER 90 2HB SER 90 7.270 4.364 -11.316 698 HG SER 90 HG SER 90 5.462 5.396 -12.924 699 H THR 91 H THR 91 7.457 0.955 -10.341 700 HA THR 91 HA THR 91 9.535 0.486 -12.428 701 HB THR 91 HB THR 91 10.878 -0.360 -10.575 702 HG1 THR 91 HG1 THR 91 9.374 0.487 -8.524 703 1HG2 THR 91 1HG2 THR 91 9.662 2.363 -9.855 704 2HG2 THR 91 2HG2 THR 91 11.042 2.056 -10.946 705 3HG2 THR 91 3HG2 THR 91 11.164 1.721 -9.214 706 H GLN 92 H GLN 92 7.095 -0.979 -10.368 707 HA GLN 92 HA GLN 92 6.143 -2.954 -10.179 708 1HB GLN 92 1HB GLN 92 7.487 -3.844 -12.756 709 2HB GLN 92 2HB GLN 92 6.182 -4.667 -11.944 710 1HG GLN 92 1HG GLN 92 5.941 -1.899 -13.166 711 2HG GLN 92 2HG GLN 92 5.530 -3.454 -13.934 712 1HE2 GLN 92 2HE2 GLN 92 4.717 -1.813 -10.794 713 2HE2 GLN 92 1HE2 GLN 92 3.152 -2.555 -10.683 714 H GLN 93 H GLN 93 7.587 -2.758 -8.349 715 HA GLN 93 HA GLN 93 9.597 -4.920 -8.455 716 1HB GLN 93 1HB GLN 93 9.558 -2.183 -7.141 717 2HB GLN 93 2HB GLN 93 10.429 -3.435 -6.278 718 1HG GLN 93 1HG GLN 93 11.866 -3.862 -8.235 719 2HG GLN 93 2HG GLN 93 11.028 -2.576 -9.110 720 1HE2 GLN 93 2HE2 GLN 93 10.949 -0.416 -8.101 721 2HE2 GLN 93 1HE2 GLN 93 12.351 0.134 -7.226 722 HA PRO 94 HA PRO 94 7.846 -7.145 -5.291 723 1HB PRO 94 1HB PRO 94 9.962 -8.555 -4.257 724 2HB PRO 94 2HB PRO 94 9.431 -8.764 -5.951 725 1HG PRO 94 1HG PRO 94 11.612 -6.927 -4.892 726 2HG PRO 94 2HG PRO 94 11.765 -8.114 -6.206 727 1HD PRO 94 1HD PRO 94 11.287 -5.488 -6.726 728 2HD PRO 94 2HD PRO 94 10.476 -6.758 -7.662 729 H LEU 95 H LEU 95 7.283 -7.310 -3.263 730 HA LEU 95 HA LEU 95 8.218 -5.319 -1.323 731 1HB LEU 95 1HB LEU 95 6.288 -7.678 -0.979 732 2HB LEU 95 2HB LEU 95 6.547 -6.367 0.161 733 HG LEU 95 HG LEU 95 5.220 -6.172 -2.537 734 1HD1 LEU 95 1HD1 LEU 95 3.356 -5.403 -1.255 735 2HD1 LEU 95 2HD1 LEU 95 4.321 -5.410 0.254 736 3HD1 LEU 95 3HD1 LEU 95 3.920 -6.931 -0.577 737 1HD2 LEU 95 1HD2 LEU 95 6.274 -3.984 -0.742 738 2HD2 LEU 95 2HD2 LEU 95 5.030 -3.717 -2.007 739 3HD2 LEU 95 3HD2 LEU 95 6.646 -4.284 -2.456 740 H THR 96 H THR 96 8.708 -8.868 -1.702 741 HA THR 96 HA THR 96 10.807 -8.735 0.273 742 HB THR 96 HB THR 96 8.909 -8.778 1.782 743 HG1 THR 96 HG1 THR 96 9.422 -10.569 2.939 744 1HG2 THR 96 1HG2 THR 96 7.815 -11.190 0.342 745 2HG2 THR 96 2HG2 THR 96 7.074 -9.576 0.482 746 3HG2 THR 96 3HG2 THR 96 7.282 -10.585 1.917 747 H LYS 97 H LYS 97 12.184 -10.451 0.068 748 HA LYS 97 HA LYS 97 12.123 -12.272 -2.101 749 1HB LYS 97 1HB LYS 97 13.858 -11.650 0.089 750 2HB LYS 97 2HB LYS 97 13.476 -13.354 0.221 751 1HG LYS 97 1HG LYS 97 15.454 -13.166 -1.085 752 2HG LYS 97 2HG LYS 97 14.163 -13.667 -2.173 753 1HD LYS 97 1HD LYS 97 13.953 -11.271 -2.953 754 2HD LYS 97 2HD LYS 97 15.273 -10.836 -1.847 755 1HE LYS 97 1HE LYS 97 16.782 -12.403 -3.027 756 2HE LYS 97 2HE LYS 97 15.466 -12.845 -4.129 757 1HZ LYS 97 1HZ LYS 97 16.477 -10.065 -3.868 758 2HZ LYS 97 2HZ LYS 97 15.501 -10.666 -5.042 759 3HZ LYS 97 3HZ LYS 97 17.053 -11.121 -4.991 760 H LYS 98 H LYS 98 10.373 -12.361 0.960 761 HA LYS 98 HA LYS 98 9.883 -15.187 0.840 762 1HB LYS 98 1HB LYS 98 8.612 -12.903 2.408 763 2HB LYS 98 2HB LYS 98 8.015 -14.553 2.559 764 1HG LYS 98 1HG LYS 98 10.918 -13.780 3.002 765 2HG LYS 98 2HG LYS 98 9.733 -13.899 4.292 766 1HD LYS 98 1HD LYS 98 9.777 -16.162 4.350 767 2HD LYS 98 2HD LYS 98 9.727 -16.323 2.603 768 1HE LYS 98 1HE LYS 98 11.799 -17.262 3.398 769 2HE LYS 98 2HE LYS 98 12.151 -15.792 2.471 770 1HZ LYS 98 1HZ LYS 98 13.342 -16.082 4.671 771 2HZ LYS 98 2HZ LYS 98 11.923 -15.742 5.418 772 3HZ LYS 98 3HZ LYS 98 12.614 -14.630 4.431 773 H SER 99 H SER 99 8.442 -12.752 -1.142 774 HA SER 99 HA SER 99 6.610 -14.809 -2.057 775 1HB SER 99 1HB SER 99 5.475 -13.862 -0.013 776 2HB SER 99 2HB SER 99 5.379 -12.312 -0.829 777 HG SER 99 HG SER 99 4.393 -14.275 -2.412 778 H GLY 100 H GLY 100 8.412 -11.964 -2.704 779 1HA GLY 100 1HA GLY 100 8.834 -10.854 -4.552 780 2HA GLY 100 2HA GLY 100 8.005 -12.114 -5.435 781 H VAL 101 H VAL 101 5.676 -10.744 -3.456 782 HA VAL 101 HA VAL 101 3.870 -9.892 -5.073 783 HB VAL 101 HB VAL 101 4.769 -8.448 -2.570 784 1HG1 VAL 101 1HG1 VAL 101 1.948 -8.668 -3.664 785 2HG1 VAL 101 2HG1 VAL 101 2.463 -7.933 -2.117 786 3HG1 VAL 101 3HG1 VAL 101 2.957 -7.197 -3.628 787 1HG2 VAL 101 1HG2 VAL 101 4.684 -10.452 -1.679 788 2HG2 VAL 101 2HG2 VAL 101 2.948 -10.141 -1.595 789 3HG2 VAL 101 3HG2 VAL 101 3.571 -11.136 -2.907 790 H VAL 102 H VAL 102 3.713 -8.480 -6.863 791 HA VAL 102 HA VAL 102 5.150 -5.906 -6.594 792 HB VAL 102 HB VAL 102 4.534 -7.150 -9.288 793 1HG1 VAL 102 1HG1 VAL 102 6.051 -5.441 -9.973 794 2HG1 VAL 102 2HG1 VAL 102 4.465 -4.874 -9.463 795 3HG1 VAL 102 3HG1 VAL 102 5.856 -4.652 -8.378 796 1HG2 VAL 102 1HG2 VAL 102 6.984 -7.445 -9.383 797 2HG2 VAL 102 2HG2 VAL 102 7.075 -7.103 -7.642 798 3HG2 VAL 102 3HG2 VAL 102 6.202 -8.527 -8.235 799 H LEU 103 H LEU 103 4.025 -4.091 -6.530 800 HA LEU 103 HA LEU 103 1.173 -3.998 -6.292 801 1HB LEU 103 1HB LEU 103 3.033 -1.718 -7.080 802 2HB LEU 103 2HB LEU 103 1.403 -1.583 -6.441 803 HG LEU 103 HG LEU 103 3.940 -2.359 -4.998 804 1HD1 LEU 103 1HD1 LEU 103 3.378 0.037 -5.336 805 2HD1 LEU 103 2HD1 LEU 103 3.439 -0.445 -3.633 806 3HD1 LEU 103 3HD1 LEU 103 1.862 -0.228 -4.440 807 1HD2 LEU 103 1HD2 LEU 103 2.580 -2.659 -2.929 808 2HD2 LEU 103 2HD2 LEU 103 2.246 -3.916 -4.118 809 3HD2 LEU 103 3HD2 LEU 103 1.091 -2.577 -3.903 810 H HIS 104 H HIS 104 -0.401 -3.552 -7.867 811 HA HIS 104 HA HIS 104 0.506 -3.004 -10.662 812 1HB HIS 104 1HB HIS 104 -0.780 -5.494 -9.609 813 2HB HIS 104 2HB HIS 104 -1.283 -4.931 -11.182 814 HD1 HIS 104 HD1 HIS 104 1.502 -4.292 -12.570 815 HD2 HIS 104 HD2 HIS 104 0.694 -7.545 -10.019 816 HE1 HIS 104 HE1 HIS 104 3.149 -6.080 -13.165 817 H ARG 105 H ARG 105 -2.199 -3.245 -8.288 818 HA ARG 105 HA ARG 105 -3.669 -1.278 -9.898 819 1HB ARG 105 1HB ARG 105 -4.283 -3.863 -10.317 820 2HB ARG 105 2HB ARG 105 -5.061 -3.727 -8.743 821 1HG ARG 105 1HG ARG 105 -6.787 -3.163 -10.209 822 2HG ARG 105 2HG ARG 105 -6.171 -1.583 -9.744 823 1HD ARG 105 1HD ARG 105 -4.579 -1.917 -11.851 824 2HD ARG 105 2HD ARG 105 -5.778 -3.155 -12.274 825 HE ARG 105 HE ARG 105 -6.810 -0.480 -11.617 826 1HH1 ARG 105 2HH1 ARG 105 -5.625 -2.647 -14.205 827 2HH1 ARG 105 1HH1 ARG 105 -6.531 -1.884 -15.467 828 1HH2 ARG 105 2HH2 ARG 105 -7.881 0.656 -13.326 829 2HH2 ARG 105 1HH2 ARG 105 -7.778 0.094 -14.961 830 H ALA 106 H ALA 106 -4.999 0.083 -8.600 831 HA ALA 106 HA ALA 106 -4.705 -0.334 -5.641 832 1HB ALA 106 1HB ALA 106 -3.551 1.638 -6.467 833 2HB ALA 106 2HB ALA 106 -5.015 2.185 -7.313 834 3HB ALA 106 3HB ALA 106 -4.983 2.124 -5.535 835 H VAL 107 H VAL 107 -6.596 -0.129 -4.345 836 HA VAL 107 HA VAL 107 -9.180 -0.358 -5.795 837 HB VAL 107 HB VAL 107 -8.842 -0.572 -2.800 838 1HG1 VAL 107 1HG1 VAL 107 -11.108 -0.505 -4.174 839 2HG1 VAL 107 2HG1 VAL 107 -10.715 -2.172 -4.573 840 3HG1 VAL 107 3HG1 VAL 107 -10.901 -1.682 -2.878 841 1HG2 VAL 107 1HG2 VAL 107 -8.696 -3.040 -3.040 842 2HG2 VAL 107 2HG2 VAL 107 -8.322 -2.829 -4.767 843 3HG2 VAL 107 3HG2 VAL 107 -7.227 -2.199 -3.509 844 HA PRO 108 HA PRO 108 -9.288 4.045 -4.802 845 1HB PRO 108 1HB PRO 108 -11.402 4.814 -6.328 846 2HB PRO 108 2HB PRO 108 -9.796 4.420 -7.018 847 1HG PRO 108 1HG PRO 108 -12.247 2.607 -6.825 848 2HG PRO 108 2HG PRO 108 -11.152 2.834 -8.227 849 1HD PRO 108 1HD PRO 108 -10.979 0.754 -6.474 850 2HD PRO 108 2HD PRO 108 -9.561 1.444 -7.324 851 H SER 109 H SER 109 -9.875 4.464 -2.770 852 HA SER 109 HA SER 109 -12.509 3.625 -1.706 853 1HB SER 109 1HB SER 109 -10.105 3.391 -0.623 854 2HB SER 109 2HB SER 109 -10.387 5.051 -0.110 855 HG SER 109 HG SER 109 -12.118 2.826 0.383 856 H GLY 110 H GLY 110 -10.854 6.472 -2.876 857 1HA GLY 110 1HA GLY 110 -11.621 8.655 -3.120 858 2HA GLY 110 2HA GLY 110 -12.970 8.346 -2.019 859 HA PRO 111 HA PRO 111 -9.128 10.050 0.239 860 1HB PRO 111 1HB PRO 111 -9.480 12.742 0.265 861 2HB PRO 111 2HB PRO 111 -8.807 11.884 -1.159 862 1HG PRO 111 1HG PRO 111 -11.693 12.682 -0.740 863 2HG PRO 111 2HG PRO 111 -10.613 13.069 -2.127 864 1HD PRO 111 1HD PRO 111 -12.315 10.930 -2.170 865 2HD PRO 111 2HD PRO 111 -10.697 10.846 -2.894 866 H SER 112 H SER 112 -10.292 8.832 1.835 867 HA SER 112 HA SER 112 -11.506 10.591 3.906 868 1HB SER 112 1HB SER 112 -12.608 8.373 4.719 869 2HB SER 112 2HB SER 112 -13.366 9.252 3.395 870 HG SER 112 HG SER 112 -12.739 6.774 3.363 871 H SER 113 H SER 113 -11.254 9.086 6.096 872 HA SER 113 HA SER 113 -8.554 7.956 6.193 873 1HB SER 113 1HB SER 113 -9.457 10.408 7.770 874 2HB SER 113 2HB SER 113 -7.987 9.478 8.090 875 HG SER 113 HG SER 113 -8.256 10.195 5.463 876 H GLY 114 H GLY 114 -10.883 6.646 6.149 877 1HA GLY 114 1HA GLY 114 -11.838 4.875 7.438 878 2HA GLY 114 2HA GLY 114 -11.448 5.741 8.942 Start of MODEL 14 1 1H GLY 1 H GLY 1 -17.394 17.183 -7.925 2 1HA GLY 1 1HA GLY 1 -17.240 15.393 -9.558 3 2HA GLY 1 2HA GLY 1 -16.408 16.525 -10.641 4 H SER 2 H SER 2 -15.714 13.875 -8.879 5 HA SER 2 HA SER 2 -13.153 14.920 -7.770 6 1HB SER 2 1HB SER 2 -14.904 12.819 -6.461 7 2HB SER 2 2HB SER 2 -13.599 13.789 -5.750 8 HG SER 2 HG SER 2 -15.602 14.682 -5.125 9 H SER 3 H SER 3 -11.516 13.945 -8.937 10 HA SER 3 HA SER 3 -11.375 11.132 -9.195 11 1HB SER 3 1HB SER 3 -13.074 11.837 -11.078 12 2HB SER 3 2HB SER 3 -11.654 12.509 -11.888 13 HG SER 3 HG SER 3 -12.216 10.386 -12.502 14 H GLY 4 H GLY 4 -9.562 10.820 -11.243 15 1HA GLY 4 1HA GLY 4 -7.529 12.848 -11.326 16 2HA GLY 4 2HA GLY 4 -7.118 11.522 -10.225 17 H SER 5 H SER 5 -5.360 11.265 -11.712 18 HA SER 5 HA SER 5 -5.942 9.818 -14.242 19 1HB SER 5 1HB SER 5 -5.526 12.184 -14.635 20 2HB SER 5 2HB SER 5 -4.031 12.124 -13.694 21 HG SER 5 HG SER 5 -3.040 11.074 -15.216 22 H SER 6 H SER 6 -5.187 8.678 -11.531 23 HA SER 6 HA SER 6 -3.726 7.150 -10.679 24 1HB SER 6 1HB SER 6 -4.363 5.870 -12.614 25 2HB SER 6 2HB SER 6 -3.180 6.698 -13.634 26 HG SER 6 HG SER 6 -1.567 5.909 -12.225 27 H GLY 7 H GLY 7 -2.861 9.752 -10.468 28 1HA GLY 7 1HA GLY 7 0.083 9.596 -10.465 29 2HA GLY 7 2HA GLY 7 -0.653 10.804 -11.540 30 H GLU 8 H GLU 8 -0.668 9.637 -8.175 31 HA GLU 8 HA GLU 8 -1.268 12.385 -7.189 32 1HB GLU 8 1HB GLU 8 -2.658 9.795 -6.476 33 2HB GLU 8 2HB GLU 8 -2.775 11.261 -5.486 34 1HG GLU 8 1HG GLU 8 -3.766 12.538 -7.288 35 2HG GLU 8 2HG GLU 8 -3.510 11.237 -8.446 36 H VAL 9 H VAL 9 1.253 10.734 -7.456 37 HA VAL 9 HA VAL 9 2.139 9.640 -5.093 38 HB VAL 9 HB VAL 9 3.775 11.234 -7.112 39 1HG1 VAL 9 1HG1 VAL 9 5.535 9.555 -6.635 40 2HG1 VAL 9 2HG1 VAL 9 5.075 10.502 -5.218 41 3HG1 VAL 9 3HG1 VAL 9 4.482 8.835 -5.398 42 1HG2 VAL 9 1HG2 VAL 9 2.747 8.379 -7.426 43 2HG2 VAL 9 2HG2 VAL 9 2.390 9.758 -8.483 44 3HG2 VAL 9 3HG2 VAL 9 4.017 9.119 -8.421 45 H GLN 10 H GLN 10 2.303 13.041 -6.298 46 HA GLN 10 HA GLN 10 3.986 13.846 -4.125 47 1HB GLN 10 1HB GLN 10 2.306 15.664 -5.912 48 2HB GLN 10 2HB GLN 10 3.794 16.068 -5.059 49 1HG GLN 10 1HG GLN 10 3.548 14.215 -7.456 50 2HG GLN 10 2HG GLN 10 4.186 15.851 -7.426 51 1HE2 GLN 10 2HE2 GLN 10 5.095 12.574 -7.299 52 2HE2 GLN 10 1HE2 GLN 10 6.700 12.797 -6.618 53 H LYS 11 H LYS 11 0.574 13.451 -4.360 54 HA LYS 11 HA LYS 11 -0.294 15.618 -2.653 55 1HB LYS 11 1HB LYS 11 -1.582 12.998 -3.583 56 2HB LYS 11 2HB LYS 11 -2.395 14.117 -2.514 57 1HG LYS 11 1HG LYS 11 -1.985 15.939 -4.235 58 2HG LYS 11 2HG LYS 11 -1.473 14.666 -5.354 59 1HD LYS 11 1HD LYS 11 -3.691 13.574 -5.093 60 2HD LYS 11 2HD LYS 11 -4.197 14.836 -3.965 61 1HE LYS 11 1HE LYS 11 -3.335 15.373 -6.844 62 2HE LYS 11 2HE LYS 11 -5.013 15.108 -6.361 63 1HZ LYS 11 1HZ LYS 11 -3.328 17.295 -5.302 64 2HZ LYS 11 2HZ LYS 11 -4.940 17.018 -4.991 65 3HZ LYS 11 3HZ LYS 11 -4.452 17.453 -6.490 66 HA PRO 12 HA PRO 12 0.461 13.842 1.327 67 1HB PRO 12 1HB PRO 12 -1.876 14.206 2.753 68 2HB PRO 12 2HB PRO 12 -0.757 15.535 2.380 69 1HG PRO 12 1HG PRO 12 -3.183 14.650 0.874 70 2HG PRO 12 2HG PRO 12 -2.825 16.320 1.399 71 1HD PRO 12 1HD PRO 12 -2.327 15.569 -1.116 72 2HD PRO 12 2HD PRO 12 -1.086 16.509 -0.294 73 H LEU 13 H LEU 13 -0.210 12.078 2.719 74 HA LEU 13 HA LEU 13 -1.215 9.762 1.415 75 1HB LEU 13 1HB LEU 13 0.353 9.907 3.253 76 2HB LEU 13 2HB LEU 13 -0.896 10.482 4.353 77 HG LEU 13 HG LEU 13 -1.229 7.814 2.941 78 1HD1 LEU 13 1HD1 LEU 13 0.083 6.694 4.554 79 2HD1 LEU 13 2HD1 LEU 13 0.179 8.110 5.622 80 3HD1 LEU 13 3HD1 LEU 13 1.086 8.086 4.118 81 1HD2 LEU 13 1HD2 LEU 13 -2.431 7.224 4.984 82 2HD2 LEU 13 2HD2 LEU 13 -3.108 8.722 4.350 83 3HD2 LEU 13 3HD2 LEU 13 -2.021 8.765 5.746 84 H HIS 14 H HIS 14 -2.850 12.332 3.322 85 HA HIS 14 HA HIS 14 -5.150 10.703 3.677 86 1HB HIS 14 1HB HIS 14 -6.143 12.461 4.793 87 2HB HIS 14 2HB HIS 14 -4.437 12.707 5.097 88 HD1 HIS 14 HD1 HIS 14 -7.260 14.089 2.815 89 HD2 HIS 14 HD2 HIS 14 -3.503 15.125 4.408 90 HE1 HIS 14 HE1 HIS 14 -6.909 16.537 2.261 91 H GLU 15 H GLU 15 -4.162 11.982 0.749 92 HA GLU 15 HA GLU 15 -6.935 12.521 -0.259 93 1HB GLU 15 1HB GLU 15 -4.168 13.264 -1.271 94 2HB GLU 15 2HB GLU 15 -5.640 13.567 -2.196 95 1HG GLU 15 1HG GLU 15 -5.284 14.686 0.589 96 2HG GLU 15 2HG GLU 15 -4.611 15.455 -0.846 97 H GLN 16 H GLN 16 -4.858 9.956 0.009 98 HA GLN 16 HA GLN 16 -4.593 9.180 -2.761 99 1HB GLN 16 1HB GLN 16 -4.162 7.636 -0.179 100 2HB GLN 16 2HB GLN 16 -3.635 7.093 -1.772 101 1HG GLN 16 1HG GLN 16 -2.699 9.618 -0.349 102 2HG GLN 16 2HG GLN 16 -1.809 8.114 -0.453 103 1HE2 GLN 16 2HE2 GLN 16 -1.259 10.989 -1.464 104 2HE2 GLN 16 1HE2 GLN 16 -0.858 10.720 -3.154 105 H LEU 17 H LEU 17 -5.180 6.917 -3.353 106 HA LEU 17 HA LEU 17 -8.118 6.575 -3.099 107 1HB LEU 17 1HB LEU 17 -7.749 4.997 -5.041 108 2HB LEU 17 2HB LEU 17 -7.701 6.698 -5.347 109 HG LEU 17 HG LEU 17 -5.148 5.073 -4.965 110 1HD1 LEU 17 1HD1 LEU 17 -6.677 5.487 -7.562 111 2HD1 LEU 17 2HD1 LEU 17 -6.526 3.953 -6.689 112 3HD1 LEU 17 3HD1 LEU 17 -5.090 4.709 -7.401 113 1HD2 LEU 17 1HD2 LEU 17 -4.118 6.705 -6.442 114 2HD2 LEU 17 2HD2 LEU 17 -4.812 7.548 -5.064 115 3HD2 LEU 17 3HD2 LEU 17 -5.676 7.567 -6.602 116 H TRP 18 H TRP 18 -5.206 4.505 -3.320 117 HA TRP 18 HA TRP 18 -6.369 2.203 -2.183 118 1HB TRP 18 1HB TRP 18 -3.897 1.593 -1.941 119 2HB TRP 18 2HB TRP 18 -4.467 1.960 -3.525 120 HD1 TRP 18 HD1 TRP 18 -3.131 3.733 -4.855 121 HE1 TRP 18 HE1 TRP 18 -1.328 5.482 -4.332 122 HE3 TRP 18 HE3 TRP 18 -2.964 3.260 0.245 123 HZ2 TRP 18 HZ2 TRP 18 0.030 6.456 -2.074 124 HZ3 TRP 18 HZ3 TRP 18 -1.396 4.644 1.579 125 HH2 TRP 18 HH2 TRP 18 0.138 6.206 0.462 126 H TYR 19 H TYR 19 -5.573 5.127 -0.565 127 HA TYR 19 HA TYR 19 -4.967 3.807 1.978 128 1HB TYR 19 1HB TYR 19 -4.016 6.000 1.460 129 2HB TYR 19 2HB TYR 19 -5.639 6.681 1.303 130 HD1 TYR 19 HD1 TYR 19 -5.827 8.238 3.022 131 HD2 TYR 19 HD2 TYR 19 -4.218 4.324 3.928 132 HE1 TYR 19 HE1 TYR 19 -5.864 8.777 5.425 133 HE2 TYR 19 HE2 TYR 19 -4.284 4.829 6.308 134 HH TYR 19 HH TYR 19 -5.353 8.076 7.529 135 H HIS 20 H HIS 20 -6.601 2.600 2.815 136 HA HIS 20 HA HIS 20 -9.393 3.559 2.615 137 1HB HIS 20 1HB HIS 20 -8.255 0.810 3.028 138 2HB HIS 20 2HB HIS 20 -9.900 1.226 3.467 139 HD1 HIS 20 HD1 HIS 20 -11.686 0.957 1.767 140 HD2 HIS 20 HD2 HIS 20 -7.848 1.477 0.117 141 HE1 HIS 20 HE1 HIS 20 -11.915 0.597 -0.766 142 H GLY 21 H GLY 21 -7.057 4.337 4.672 143 1HA GLY 21 1HA GLY 21 -7.215 5.401 6.639 144 2HA GLY 21 2HA GLY 21 -8.933 5.005 6.682 145 H ALA 22 H ALA 22 -9.571 3.321 7.914 146 HA ALA 22 HA ALA 22 -7.808 1.364 9.196 147 1HB ALA 22 1HB ALA 22 -9.063 1.745 11.293 148 2HB ALA 22 2HB ALA 22 -8.272 3.249 10.768 149 3HB ALA 22 3HB ALA 22 -10.008 3.032 10.510 150 H ILE 23 H ILE 23 -8.641 -0.639 8.743 151 HA ILE 23 HA ILE 23 -11.491 -1.135 8.432 152 HB ILE 23 HB ILE 23 -11.522 -1.113 6.210 153 1HG1 ILE 23 1HG1 ILE 23 -9.276 -3.155 6.173 154 2HG1 ILE 23 2HG1 ILE 23 -11.005 -3.475 6.400 155 1HG2 ILE 23 1HG2 ILE 23 -9.709 0.560 6.123 156 2HG2 ILE 23 2HG2 ILE 23 -8.525 -0.749 6.015 157 3HG2 ILE 23 3HG2 ILE 23 -9.710 -0.491 4.733 158 1HD1 ILE 23 1HD1 ILE 23 -10.469 -4.039 4.164 159 2HD1 ILE 23 2HD1 ILE 23 -11.447 -2.561 4.131 160 3HD1 ILE 23 3HD1 ILE 23 -9.683 -2.494 3.868 161 HA PRO 24 HA PRO 24 -9.765 -4.838 10.403 162 1HB PRO 24 1HB PRO 24 -11.696 -6.705 9.826 163 2HB PRO 24 2HB PRO 24 -11.851 -5.500 11.116 164 1HG PRO 24 1HG PRO 24 -12.940 -5.536 8.350 165 2HG PRO 24 2HG PRO 24 -13.773 -4.952 9.818 166 1HD PRO 24 1HD PRO 24 -12.605 -3.260 7.954 167 2HD PRO 24 2HD PRO 24 -12.727 -2.860 9.674 168 H ARG 25 H ARG 25 -9.194 -7.215 9.794 169 HA ARG 25 HA ARG 25 -7.987 -7.008 7.113 170 1HB ARG 25 1HB ARG 25 -6.708 -8.933 7.638 171 2HB ARG 25 2HB ARG 25 -6.689 -7.883 9.055 172 1HG ARG 25 1HG ARG 25 -8.324 -9.340 10.190 173 2HG ARG 25 2HG ARG 25 -8.497 -10.320 8.728 174 1HD ARG 25 1HD ARG 25 -7.035 -11.534 10.121 175 2HD ARG 25 2HD ARG 25 -6.053 -10.814 8.837 176 HE ARG 25 HE ARG 25 -6.237 -9.268 11.332 177 1HH1 ARG 25 2HH1 ARG 25 -4.437 -11.787 9.593 178 2HH1 ARG 25 1HH1 ARG 25 -3.070 -11.767 10.636 179 1HH2 ARG 25 2HH2 ARG 25 -4.357 -9.143 12.732 180 2HH2 ARG 25 1HH2 ARG 25 -3.061 -10.239 12.533 181 H ALA 26 H ALA 26 -10.961 -8.525 8.247 182 HA ALA 26 HA ALA 26 -10.789 -10.514 6.107 183 1HB ALA 26 1HB ALA 26 -12.078 -10.947 8.142 184 2HB ALA 26 2HB ALA 26 -13.250 -9.684 7.645 185 3HB ALA 26 3HB ALA 26 -13.020 -11.133 6.654 186 H GLU 27 H GLU 27 -12.269 -7.289 6.509 187 HA GLU 27 HA GLU 27 -13.827 -7.095 4.204 188 1HB GLU 27 1HB GLU 27 -12.131 -5.139 5.732 189 2HB GLU 27 2HB GLU 27 -13.125 -4.576 4.389 190 1HG GLU 27 1HG GLU 27 -14.283 -6.130 6.710 191 2HG GLU 27 2HG GLU 27 -13.994 -4.383 6.790 192 H VAL 28 H VAL 28 -10.304 -6.893 4.497 193 HA VAL 28 HA VAL 28 -9.567 -5.625 2.159 194 HB VAL 28 HB VAL 28 -8.279 -8.008 3.548 195 1HG1 VAL 28 1HG1 VAL 28 -6.220 -7.449 2.446 196 2HG1 VAL 28 2HG1 VAL 28 -7.403 -7.858 1.231 197 3HG1 VAL 28 3HG1 VAL 28 -6.993 -6.167 1.474 198 1HG2 VAL 28 1HG2 VAL 28 -6.798 -6.301 4.548 199 2HG2 VAL 28 2HG2 VAL 28 -7.709 -5.017 3.729 200 3HG2 VAL 28 3HG2 VAL 28 -8.487 -6.005 4.975 201 H ALA 29 H ALA 29 -10.003 -9.221 2.423 202 HA ALA 29 HA ALA 29 -9.509 -9.595 -0.360 203 1HB ALA 29 1HB ALA 29 -10.007 -11.798 -0.103 204 2HB ALA 29 2HB ALA 29 -9.513 -11.341 1.548 205 3HB ALA 29 3HB ALA 29 -11.249 -11.477 1.136 206 H GLU 30 H GLU 30 -12.333 -8.351 1.192 207 HA GLU 30 HA GLU 30 -14.182 -9.074 -0.947 208 1HB GLU 30 1HB GLU 30 -15.536 -8.772 0.763 209 2HB GLU 30 2HB GLU 30 -14.370 -7.872 1.709 210 1HG GLU 30 1HG GLU 30 -14.948 -5.783 0.465 211 2HG GLU 30 2HG GLU 30 -16.105 -6.696 -0.518 212 H LEU 31 H LEU 31 -11.966 -6.405 -0.091 213 HA LEU 31 HA LEU 31 -12.943 -4.592 -2.133 214 1HB LEU 31 1HB LEU 31 -10.269 -4.617 -0.665 215 2HB LEU 31 2HB LEU 31 -10.933 -3.315 -1.603 216 HG LEU 31 HG LEU 31 -12.188 -4.306 0.992 217 1HD1 LEU 31 1HD1 LEU 31 -11.327 -2.106 1.853 218 2HD1 LEU 31 2HD1 LEU 31 -10.376 -1.941 0.366 219 3HD1 LEU 31 3HD1 LEU 31 -10.079 -3.303 1.482 220 1HD2 LEU 31 1HD2 LEU 31 -12.789 -1.852 -0.736 221 2HD2 LEU 31 2HD2 LEU 31 -13.468 -2.180 0.875 222 3HD2 LEU 31 3HD2 LEU 31 -13.863 -3.248 -0.469 223 H LEU 32 H LEU 32 -10.185 -6.826 -1.731 224 HA LEU 32 HA LEU 32 -9.147 -6.161 -4.397 225 1HB LEU 32 1HB LEU 32 -8.155 -8.492 -2.744 226 2HB LEU 32 2HB LEU 32 -7.282 -7.472 -3.863 227 HG LEU 32 HG LEU 32 -8.120 -6.804 -1.044 228 1HD1 LEU 32 1HD1 LEU 32 -5.402 -7.034 -2.227 229 2HD1 LEU 32 2HD1 LEU 32 -6.196 -8.248 -1.187 230 3HD1 LEU 32 3HD1 LEU 32 -5.783 -6.641 -0.546 231 1HD2 LEU 32 1HD2 LEU 32 -7.728 -4.926 -3.149 232 2HD2 LEU 32 2HD2 LEU 32 -6.366 -4.781 -2.034 233 3HD2 LEU 32 3HD2 LEU 32 -8.066 -4.656 -1.463 234 H VAL 33 H VAL 33 -8.939 -7.836 -6.076 235 HA VAL 33 HA VAL 33 -10.911 -10.077 -5.911 236 HB VAL 33 HB VAL 33 -10.778 -8.038 -8.173 237 1HG1 VAL 33 1HG1 VAL 33 -11.568 -10.267 -8.869 238 2HG1 VAL 33 2HG1 VAL 33 -12.770 -10.264 -7.553 239 3HG1 VAL 33 3HG1 VAL 33 -12.893 -9.106 -8.891 240 1HG2 VAL 33 1HG2 VAL 33 -13.041 -7.286 -7.389 241 2HG2 VAL 33 2HG2 VAL 33 -12.812 -8.228 -5.909 242 3HG2 VAL 33 3HG2 VAL 33 -11.738 -6.858 -6.277 243 H HIS 34 H HIS 34 -8.191 -8.480 -7.608 244 HA HIS 34 HA HIS 34 -7.340 -11.105 -8.741 245 1HB HIS 34 1HB HIS 34 -6.942 -8.370 -9.964 246 2HB HIS 34 2HB HIS 34 -6.640 -9.941 -10.710 247 HD1 HIS 34 HD1 HIS 34 -9.119 -11.442 -11.009 248 HD2 HIS 34 HD2 HIS 34 -9.188 -7.247 -10.552 249 HE1 HIS 34 HE1 HIS 34 -11.339 -10.631 -11.956 250 H SER 35 H SER 35 -4.933 -10.909 -9.414 251 HA SER 35 HA SER 35 -3.337 -10.340 -7.133 252 1HB SER 35 1HB SER 35 -1.491 -10.578 -8.910 253 2HB SER 35 2HB SER 35 -2.574 -11.959 -8.680 254 HG SER 35 HG SER 35 -2.348 -11.584 -10.851 255 H GLY 36 H GLY 36 -1.980 -8.666 -6.635 256 1HA GLY 36 1HA GLY 36 -0.753 -6.711 -7.012 257 2HA GLY 36 2HA GLY 36 -1.640 -6.461 -8.543 258 H ASP 37 H ASP 37 -4.227 -6.920 -6.854 259 HA ASP 37 HA ASP 37 -4.985 -4.193 -6.439 260 1HB ASP 37 1HB ASP 37 -6.033 -6.856 -5.442 261 2HB ASP 37 2HB ASP 37 -6.788 -5.342 -4.965 262 H PHE 38 H PHE 38 -4.234 -2.905 -4.814 263 HA PHE 38 HA PHE 38 -3.645 -4.116 -2.195 264 1HB PHE 38 1HB PHE 38 -1.621 -2.912 -1.860 265 2HB PHE 38 2HB PHE 38 -1.434 -3.757 -3.390 266 HD1 PHE 38 HD1 PHE 38 -1.200 -2.636 -5.474 267 HD2 PHE 38 HD2 PHE 38 -1.774 -0.413 -1.826 268 HE1 PHE 38 HE1 PHE 38 -0.734 -0.552 -6.682 269 HE2 PHE 38 HE2 PHE 38 -1.160 1.675 -3.015 270 HZ PHE 38 HZ PHE 38 -0.719 1.628 -5.464 271 H LEU 39 H LEU 39 -3.901 -2.789 -0.399 272 HA LEU 39 HA LEU 39 -4.740 -0.046 -0.799 273 1HB LEU 39 1HB LEU 39 -6.603 -0.245 0.672 274 2HB LEU 39 2HB LEU 39 -6.818 -1.412 -0.600 275 HG LEU 39 HG LEU 39 -5.372 -2.701 1.599 276 1HD1 LEU 39 1HD1 LEU 39 -7.920 -1.381 2.483 277 2HD1 LEU 39 2HD1 LEU 39 -6.270 -0.898 2.960 278 3HD1 LEU 39 3HD1 LEU 39 -6.888 -2.506 3.403 279 1HD2 LEU 39 1HD2 LEU 39 -7.561 -4.031 1.699 280 2HD2 LEU 39 2HD2 LEU 39 -6.629 -4.046 0.192 281 3HD2 LEU 39 3HD2 LEU 39 -8.089 -3.037 0.337 282 H VAL 40 H VAL 40 -4.552 1.051 1.364 283 HA VAL 40 HA VAL 40 -2.629 -0.237 3.225 284 HB VAL 40 HB VAL 40 -2.770 2.700 2.439 285 1HG1 VAL 40 1HG1 VAL 40 -0.759 2.880 3.928 286 2HG1 VAL 40 2HG1 VAL 40 -2.255 2.515 4.795 287 3HG1 VAL 40 3HG1 VAL 40 -1.071 1.217 4.482 288 1HG2 VAL 40 1HG2 VAL 40 -0.429 2.318 1.625 289 2HG2 VAL 40 2HG2 VAL 40 -0.622 0.581 1.954 290 3HG2 VAL 40 3HG2 VAL 40 -1.602 1.367 0.711 291 H ARG 41 H ARG 41 -3.376 -0.332 5.244 292 HA ARG 41 HA ARG 41 -5.850 1.140 6.003 293 1HB ARG 41 1HB ARG 41 -6.673 -0.918 7.071 294 2HB ARG 41 2HB ARG 41 -6.385 -1.218 5.328 295 1HG ARG 41 1HG ARG 41 -4.198 -2.217 5.941 296 2HG ARG 41 2HG ARG 41 -4.581 -2.054 7.659 297 1HD ARG 41 1HD ARG 41 -6.320 -3.599 5.706 298 2HD ARG 41 2HD ARG 41 -4.891 -4.278 6.498 299 HE ARG 41 HE ARG 41 -7.301 -3.239 7.923 300 1HH1 ARG 41 2HH1 ARG 41 -4.829 -5.789 7.749 301 2HH1 ARG 41 1HH1 ARG 41 -4.910 -6.158 9.448 302 1HH2 ARG 41 2HH2 ARG 41 -7.683 -3.961 9.924 303 2HH2 ARG 41 1HH2 ARG 41 -6.910 -5.397 10.586 304 H GLU 42 H GLU 42 -6.027 1.227 8.390 305 HA GLU 42 HA GLU 42 -3.427 1.385 9.749 306 1HB GLU 42 1HB GLU 42 -5.018 3.185 9.870 307 2HB GLU 42 2HB GLU 42 -6.257 2.228 10.611 308 1HG GLU 42 1HG GLU 42 -3.432 2.307 11.858 309 2HG GLU 42 2HG GLU 42 -4.299 3.827 11.797 310 H SER 43 H SER 43 -3.229 0.415 11.938 311 HA SER 43 HA SER 43 -4.053 -2.390 11.963 312 1HB SER 43 1HB SER 43 -1.774 -1.437 12.622 313 2HB SER 43 2HB SER 43 -2.576 -0.750 14.040 314 HG SER 43 HG SER 43 -1.519 -3.001 14.062 315 H GLN 44 H GLN 44 -4.281 -2.322 14.906 316 HA GLN 44 HA GLN 44 -7.171 -1.597 14.984 317 1HB GLN 44 1HB GLN 44 -5.545 -3.726 16.394 318 2HB GLN 44 2HB GLN 44 -7.079 -3.148 17.049 319 1HG GLN 44 1HG GLN 44 -7.497 -5.120 15.717 320 2HG GLN 44 2HG GLN 44 -8.254 -3.718 14.971 321 1HE2 GLN 44 2HE2 GLN 44 -7.571 -3.112 12.832 322 2HE2 GLN 44 1HE2 GLN 44 -6.289 -3.917 11.966 323 H GLY 45 H GLY 45 -6.450 0.644 15.170 324 1HA GLY 45 1HA GLY 45 -6.217 2.547 16.368 325 2HA GLY 45 2HA GLY 45 -6.538 1.626 17.845 326 H LYS 46 H LYS 46 -3.888 1.168 15.482 327 HA LYS 46 HA LYS 46 -1.895 1.958 17.596 328 1HB LYS 46 1HB LYS 46 -1.158 0.142 15.303 329 2HB LYS 46 2HB LYS 46 -0.321 0.412 16.814 330 1HG LYS 46 1HG LYS 46 -2.907 -1.166 16.455 331 2HG LYS 46 2HG LYS 46 -1.298 -1.828 16.741 332 1HD LYS 46 1HD LYS 46 -1.213 -0.794 18.957 333 2HD LYS 46 2HD LYS 46 -2.760 0.009 18.684 334 1HE LYS 46 1HE LYS 46 -3.743 -2.353 18.315 335 2HE LYS 46 2HE LYS 46 -2.249 -2.948 19.069 336 1HZ LYS 46 1HZ LYS 46 -4.228 -1.093 20.260 337 2HZ LYS 46 2HZ LYS 46 -2.808 -1.487 20.979 338 3HZ LYS 46 3HZ LYS 46 -3.990 -2.636 20.692 339 H GLN 47 H GLN 47 -0.062 3.208 16.743 340 HA GLN 47 HA GLN 47 -0.841 4.806 14.373 341 1HB GLN 47 1HB GLN 47 1.366 5.030 16.449 342 2HB GLN 47 2HB GLN 47 1.188 6.127 15.066 343 1HG GLN 47 1HG GLN 47 -1.004 6.847 15.812 344 2HG GLN 47 2HG GLN 47 -1.015 5.662 17.124 345 1HE2 GLN 47 2HE2 GLN 47 -1.484 7.602 18.474 346 2HE2 GLN 47 1HE2 GLN 47 -0.129 8.611 18.982 347 H GLU 48 H GLU 48 -0.691 2.465 13.266 348 HA GLU 48 HA GLU 48 1.830 2.391 11.856 349 1HB GLU 48 1HB GLU 48 2.406 1.067 13.764 350 2HB GLU 48 2HB GLU 48 0.824 0.272 13.796 351 1HG GLU 48 1HG GLU 48 1.299 -0.958 11.809 352 2HG GLU 48 2HG GLU 48 2.823 -0.068 11.540 353 H TYR 49 H TYR 49 1.405 1.659 9.836 354 HA TYR 49 HA TYR 49 -1.406 0.945 9.185 355 1HB TYR 49 1HB TYR 49 0.809 2.217 7.557 356 2HB TYR 49 2HB TYR 49 -0.742 1.722 6.885 357 HD1 TYR 49 HD1 TYR 49 1.059 4.489 8.090 358 HD2 TYR 49 HD2 TYR 49 -2.880 2.753 8.140 359 HE1 TYR 49 HE1 TYR 49 0.083 6.712 8.517 360 HE2 TYR 49 HE2 TYR 49 -3.858 4.968 8.662 361 HH TYR 49 HH TYR 49 -3.441 7.207 8.962 362 H VAL 50 H VAL 50 -1.661 -0.548 7.348 363 HA VAL 50 HA VAL 50 0.368 -2.711 7.171 364 HB VAL 50 HB VAL 50 -2.640 -2.887 7.552 365 1HG1 VAL 50 1HG1 VAL 50 -0.654 -5.150 7.051 366 2HG1 VAL 50 2HG1 VAL 50 -2.358 -5.369 7.515 367 3HG1 VAL 50 3HG1 VAL 50 -1.952 -4.643 5.958 368 1HG2 VAL 50 1HG2 VAL 50 -0.599 -4.224 9.281 369 2HG2 VAL 50 2HG2 VAL 50 -1.260 -2.610 9.672 370 3HG2 VAL 50 3HG2 VAL 50 -2.325 -4.022 9.590 371 H LEU 51 H LEU 51 0.800 -3.145 5.099 372 HA LEU 51 HA LEU 51 -0.808 -2.075 2.881 373 1HB LEU 51 1HB LEU 51 1.772 -2.103 2.942 374 2HB LEU 51 2HB LEU 51 1.696 -3.846 2.968 375 HG LEU 51 HG LEU 51 0.624 -3.838 0.725 376 1HD1 LEU 51 1HD1 LEU 51 0.682 -1.715 -0.613 377 2HD1 LEU 51 2HD1 LEU 51 1.091 -0.817 0.864 378 3HD1 LEU 51 3HD1 LEU 51 -0.485 -1.627 0.707 379 1HD2 LEU 51 1HD2 LEU 51 3.196 -2.209 0.967 380 2HD2 LEU 51 2HD2 LEU 51 2.683 -3.164 -0.438 381 3HD2 LEU 51 3HD2 LEU 51 3.088 -3.970 1.094 382 H SER 52 H SER 52 -2.426 -3.324 2.036 383 HA SER 52 HA SER 52 -2.359 -6.264 2.576 384 1HB SER 52 1HB SER 52 -4.903 -4.646 2.423 385 2HB SER 52 2HB SER 52 -4.626 -6.288 3.041 386 HG SER 52 HG SER 52 -3.525 -3.936 4.142 387 H VAL 53 H VAL 53 -1.846 -7.164 0.678 388 HA VAL 53 HA VAL 53 -2.957 -6.088 -1.808 389 HB VAL 53 HB VAL 53 -0.759 -5.203 -1.631 390 1HG1 VAL 53 1HG1 VAL 53 0.240 -7.973 -0.916 391 2HG1 VAL 53 2HG1 VAL 53 1.248 -6.558 -1.278 392 3HG1 VAL 53 3HG1 VAL 53 0.213 -6.535 0.136 393 1HG2 VAL 53 1HG2 VAL 53 -1.331 -6.141 -3.869 394 2HG2 VAL 53 2HG2 VAL 53 0.405 -6.134 -3.545 395 3HG2 VAL 53 3HG2 VAL 53 -0.509 -7.650 -3.431 396 H LEU 54 H LEU 54 -3.589 -7.661 -3.272 397 HA LEU 54 HA LEU 54 -3.844 -10.441 -2.270 398 1HB LEU 54 1HB LEU 54 -5.661 -8.998 -3.469 399 2HB LEU 54 2HB LEU 54 -4.781 -9.359 -4.910 400 HG LEU 54 HG LEU 54 -6.382 -11.086 -4.895 401 1HD1 LEU 54 1HD1 LEU 54 -4.312 -12.454 -3.242 402 2HD1 LEU 54 2HD1 LEU 54 -4.186 -12.138 -4.997 403 3HD1 LEU 54 3HD1 LEU 54 -5.518 -13.103 -4.359 404 1HD2 LEU 54 1HD2 LEU 54 -7.167 -12.240 -2.869 405 2HD2 LEU 54 2HD2 LEU 54 -7.505 -10.520 -2.904 406 3HD2 LEU 54 3HD2 LEU 54 -6.169 -11.128 -1.898 407 H TRP 55 H TRP 55 -2.169 -11.898 -2.801 408 HA TRP 55 HA TRP 55 -0.937 -11.556 -5.472 409 1HB TRP 55 1HB TRP 55 0.593 -11.024 -3.354 410 2HB TRP 55 2HB TRP 55 0.676 -12.782 -3.269 411 HD1 TRP 55 HD1 TRP 55 2.960 -13.410 -4.227 412 HE1 TRP 55 HE1 TRP 55 4.322 -12.870 -6.320 413 HE3 TRP 55 HE3 TRP 55 0.009 -9.708 -6.199 414 HZ2 TRP 55 HZ2 TRP 55 4.399 -10.640 -8.313 415 HZ3 TRP 55 HZ3 TRP 55 0.696 -8.517 -8.255 416 HH2 TRP 55 HH2 TRP 55 2.878 -9.045 -9.330 417 H ASP 56 H ASP 56 -1.401 -13.199 -6.678 418 HA ASP 56 HA ASP 56 -2.642 -14.913 -7.333 419 1HB ASP 56 1HB ASP 56 0.042 -15.615 -6.575 420 2HB ASP 56 2HB ASP 56 -0.971 -17.039 -6.456 421 H GLY 57 H GLY 57 -4.358 -14.301 -5.920 422 1HA GLY 57 1HA GLY 57 -6.295 -15.009 -4.988 423 2HA GLY 57 2HA GLY 57 -5.691 -16.627 -5.069 424 H LEU 58 H LEU 58 -3.586 -14.628 -3.321 425 HA LEU 58 HA LEU 58 -4.857 -15.322 -0.713 426 1HB LEU 58 1HB LEU 58 -2.955 -16.811 -1.390 427 2HB LEU 58 2HB LEU 58 -1.895 -15.420 -1.251 428 HG LEU 58 HG LEU 58 -1.736 -16.818 0.692 429 1HD1 LEU 58 1HD1 LEU 58 -3.267 -14.389 1.648 430 2HD1 LEU 58 2HD1 LEU 58 -1.595 -14.337 1.018 431 3HD1 LEU 58 3HD1 LEU 58 -1.996 -15.297 2.466 432 1HD2 LEU 58 1HD2 LEU 58 -4.694 -16.381 1.252 433 2HD2 LEU 58 2HD2 LEU 58 -3.530 -17.337 2.193 434 3HD2 LEU 58 3HD2 LEU 58 -3.983 -17.859 0.570 435 HA PRO 59 HA PRO 59 -4.191 -10.777 -0.324 436 1HB PRO 59 1HB PRO 59 -5.808 -10.482 1.892 437 2HB PRO 59 2HB PRO 59 -6.403 -10.475 0.219 438 1HG PRO 59 1HG PRO 59 -6.307 -12.741 2.172 439 2HG PRO 59 2HG PRO 59 -7.652 -12.282 1.052 440 1HD PRO 59 1HD PRO 59 -5.934 -14.322 0.628 441 2HD PRO 59 2HD PRO 59 -6.630 -13.367 -0.716 442 H ARG 60 H ARG 60 -1.962 -11.038 0.131 443 HA ARG 60 HA ARG 60 -0.856 -11.831 2.667 444 1HB ARG 60 1HB ARG 60 0.134 -10.101 0.471 445 2HB ARG 60 2HB ARG 60 1.029 -10.515 1.928 446 1HG ARG 60 1HG ARG 60 -0.218 -12.657 0.139 447 2HG ARG 60 2HG ARG 60 1.353 -11.957 -0.160 448 1HD ARG 60 1HD ARG 60 1.631 -13.878 1.068 449 2HD ARG 60 2HD ARG 60 2.051 -12.582 2.193 450 HE ARG 60 HE ARG 60 -0.593 -13.429 2.647 451 1HH1 ARG 60 2HH1 ARG 60 2.478 -15.257 2.605 452 2HH1 ARG 60 1HH1 ARG 60 2.009 -16.241 3.921 453 1HH2 ARG 60 2HH2 ARG 60 -0.988 -14.507 4.682 454 2HH2 ARG 60 1HH2 ARG 60 0.071 -15.807 5.101 455 H HIS 61 H HIS 61 -0.058 -10.304 4.213 456 HA HIS 61 HA HIS 61 -0.945 -7.518 4.053 457 1HB HIS 61 1HB HIS 61 -1.847 -7.423 6.301 458 2HB HIS 61 2HB HIS 61 -2.804 -8.489 5.282 459 HD1 HIS 61 HD1 HIS 61 -1.246 -8.454 8.647 460 HD2 HIS 61 HD2 HIS 61 -2.230 -11.222 5.620 461 HE1 HIS 61 HE1 HIS 61 -1.156 -10.733 9.723 462 H PHE 62 H PHE 62 0.871 -6.429 4.279 463 HA PHE 62 HA PHE 62 3.066 -7.526 5.981 464 1HB PHE 62 1HB PHE 62 3.321 -5.752 3.518 465 2HB PHE 62 2HB PHE 62 4.621 -6.477 4.447 466 HD1 PHE 62 HD1 PHE 62 2.492 -6.831 1.578 467 HD2 PHE 62 HD2 PHE 62 4.660 -9.150 4.496 468 HE1 PHE 62 HE1 PHE 62 2.427 -8.775 0.080 469 HE2 PHE 62 HE2 PHE 62 4.660 -11.087 2.942 470 HZ PHE 62 HZ PHE 62 3.519 -10.952 0.744 471 H ILE 63 H ILE 63 3.510 -6.094 7.685 472 HA ILE 63 HA ILE 63 1.960 -3.695 8.041 473 HB ILE 63 HB ILE 63 4.348 -4.956 9.373 474 1HG1 ILE 63 1HG1 ILE 63 1.843 -5.566 9.695 475 2HG1 ILE 63 2HG1 ILE 63 2.863 -5.390 11.097 476 1HG2 ILE 63 1HG2 ILE 63 3.411 -2.113 9.865 477 2HG2 ILE 63 2HG2 ILE 63 4.326 -3.073 11.054 478 3HG2 ILE 63 3HG2 ILE 63 5.048 -2.690 9.498 479 1HD1 ILE 63 1HD1 ILE 63 0.547 -4.320 11.241 480 2HD1 ILE 63 2HD1 ILE 63 1.902 -3.273 11.673 481 3HD1 ILE 63 3HD1 ILE 63 1.118 -3.084 10.108 482 H ILE 64 H ILE 64 2.348 -1.602 7.419 483 HA ILE 64 HA ILE 64 3.988 -1.069 5.181 484 HB ILE 64 HB ILE 64 2.668 0.719 7.249 485 1HG1 ILE 64 1HG1 ILE 64 1.227 -0.585 5.661 486 2HG1 ILE 64 2HG1 ILE 64 1.000 1.154 5.619 487 1HG2 ILE 64 1HG2 ILE 64 4.164 1.684 4.795 488 2HG2 ILE 64 2HG2 ILE 64 2.942 2.624 5.669 489 3HG2 ILE 64 3HG2 ILE 64 4.410 2.137 6.497 490 1HD1 ILE 64 1HD1 ILE 64 2.726 -0.255 3.598 491 2HD1 ILE 64 2HD1 ILE 64 0.979 0.030 3.407 492 3HD1 ILE 64 3HD1 ILE 64 2.084 1.404 3.545 493 H GLN 65 H GLN 65 5.779 0.089 5.022 494 HA GLN 65 HA GLN 65 7.910 -0.755 6.651 495 1HB GLN 65 1HB GLN 65 8.030 1.701 4.859 496 2HB GLN 65 2HB GLN 65 9.257 0.576 5.210 497 1HG GLN 65 1HG GLN 65 8.620 -0.056 3.023 498 2HG GLN 65 2HG GLN 65 7.615 -1.150 3.945 499 1HE2 GLN 65 2HE2 GLN 65 7.783 1.950 2.101 500 2HE2 GLN 65 1HE2 GLN 65 6.075 2.039 1.772 501 H SER 66 H SER 66 9.521 0.703 7.800 502 HA SER 66 HA SER 66 9.001 3.348 8.475 503 1HB SER 66 1HB SER 66 7.138 2.436 9.875 504 2HB SER 66 2HB SER 66 8.293 1.352 10.661 505 HG SER 66 HG SER 66 9.081 3.025 11.782 506 H LEU 67 H LEU 67 10.905 4.058 9.229 507 HA LEU 67 HA LEU 67 12.782 2.204 10.592 508 1HB LEU 67 1HB LEU 67 14.676 3.624 9.631 509 2HB LEU 67 2HB LEU 67 14.076 2.261 8.720 510 HG LEU 67 HG LEU 67 13.103 5.060 8.068 511 1HD1 LEU 67 1HD1 LEU 67 15.606 5.053 8.040 512 2HD1 LEU 67 2HD1 LEU 67 14.934 5.169 6.404 513 3HD1 LEU 67 3HD1 LEU 67 15.578 3.635 6.981 514 1HD2 LEU 67 1HD2 LEU 67 11.918 3.160 6.949 515 2HD2 LEU 67 2HD2 LEU 67 13.482 2.466 6.523 516 3HD2 LEU 67 3HD2 LEU 67 12.947 3.985 5.769 517 H ASP 68 H ASP 68 13.145 5.670 9.844 518 HA ASP 68 HA ASP 68 12.855 6.139 12.797 519 1HB ASP 68 1HB ASP 68 14.498 7.522 10.689 520 2HB ASP 68 2HB ASP 68 14.262 8.156 12.319 521 H ASN 69 H ASN 69 12.573 7.967 9.730 522 HA ASN 69 HA ASN 69 9.877 8.874 10.440 523 1HB ASN 69 1HB ASN 69 11.441 10.642 11.087 524 2HB ASN 69 2HB ASN 69 12.250 10.543 9.522 525 1HD2 ASN 69 2HD2 ASN 69 8.848 11.147 10.813 526 2HD2 ASN 69 1HD2 ASN 69 8.600 12.423 9.618 527 H LEU 70 H LEU 70 11.558 7.009 8.426 528 HA LEU 70 HA LEU 70 10.239 7.928 5.911 529 1HB LEU 70 1HB LEU 70 12.822 6.346 5.997 530 2HB LEU 70 2HB LEU 70 12.127 7.163 4.638 531 HG LEU 70 HG LEU 70 13.056 8.751 7.030 532 1HD1 LEU 70 1HD1 LEU 70 14.779 7.735 4.752 533 2HD1 LEU 70 2HD1 LEU 70 14.951 7.420 6.502 534 3HD1 LEU 70 3HD1 LEU 70 15.241 9.040 5.868 535 1HD2 LEU 70 1HD2 LEU 70 11.711 9.952 5.416 536 2HD2 LEU 70 2HD2 LEU 70 12.781 9.437 4.083 537 3HD2 LEU 70 3HD2 LEU 70 13.377 10.527 5.352 538 H TYR 71 H TYR 71 10.059 6.157 4.337 539 HA TYR 71 HA TYR 71 9.296 3.535 5.627 540 1HB TYR 71 1HB TYR 71 7.824 4.926 3.321 541 2HB TYR 71 2HB TYR 71 7.242 3.593 4.288 542 HD1 TYR 71 HD1 TYR 71 7.609 7.200 4.004 543 HD2 TYR 71 HD2 TYR 71 6.378 4.022 6.605 544 HE1 TYR 71 HE1 TYR 71 6.549 8.835 5.511 545 HE2 TYR 71 HE2 TYR 71 5.298 5.611 8.117 546 HH TYR 71 HH TYR 71 5.850 9.091 7.715 547 H ARG 72 H ARG 72 10.509 1.875 4.657 548 HA ARG 72 HA ARG 72 11.127 2.057 1.763 549 1HB ARG 72 1HB ARG 72 13.402 1.653 2.091 550 2HB ARG 72 2HB ARG 72 13.015 2.968 3.187 551 1HG ARG 72 1HG ARG 72 14.408 1.708 4.464 552 2HG ARG 72 2HG ARG 72 12.795 1.141 4.997 553 1HD ARG 72 1HD ARG 72 13.054 -0.919 3.999 554 2HD ARG 72 2HD ARG 72 14.120 -0.324 2.732 555 HE ARG 72 HE ARG 72 14.805 -0.766 5.597 556 1HH1 ARG 72 2HH1 ARG 72 15.900 -0.816 2.209 557 2HH1 ARG 72 1HH1 ARG 72 17.065 -2.085 2.444 558 1HH2 ARG 72 2HH2 ARG 72 16.374 -2.373 5.946 559 2HH2 ARG 72 1HH2 ARG 72 17.231 -3.099 4.624 560 H LEU 73 H LEU 73 11.295 -0.068 0.757 561 HA LEU 73 HA LEU 73 10.655 -2.310 2.628 562 1HB LEU 73 1HB LEU 73 8.693 -1.366 1.276 563 2HB LEU 73 2HB LEU 73 9.396 -2.125 -0.142 564 HG LEU 73 HG LEU 73 9.055 -4.267 0.565 565 1HD1 LEU 73 1HD1 LEU 73 9.832 -4.354 2.864 566 2HD1 LEU 73 2HD1 LEU 73 8.142 -4.839 2.879 567 3HD1 LEU 73 3HD1 LEU 73 8.574 -3.198 3.393 568 1HD2 LEU 73 1HD2 LEU 73 6.670 -4.298 1.045 569 2HD2 LEU 73 2HD2 LEU 73 7.092 -2.991 -0.083 570 3HD2 LEU 73 3HD2 LEU 73 6.727 -2.618 1.618 571 H GLU 74 H GLU 74 11.566 -1.854 -0.803 572 HA GLU 74 HA GLU 74 13.304 -4.229 -0.595 573 1HB GLU 74 1HB GLU 74 11.708 -4.175 -2.384 574 2HB GLU 74 2HB GLU 74 12.199 -2.569 -2.892 575 1HG GLU 74 1HG GLU 74 12.984 -4.346 -4.415 576 2HG GLU 74 2HG GLU 74 14.288 -3.375 -3.756 577 H GLY 75 H GLY 75 13.368 -0.715 -1.013 578 1HA GLY 75 1HA GLY 75 16.296 -0.712 -1.506 579 2HA GLY 75 2HA GLY 75 15.108 0.229 -2.423 580 H GLU 76 H GLU 76 15.709 2.288 -1.852 581 HA GLU 76 HA GLU 76 16.296 3.073 0.877 582 1HB GLU 76 1HB GLU 76 16.686 5.237 -0.013 583 2HB GLU 76 2HB GLU 76 17.369 4.082 -1.160 584 1HG GLU 76 1HG GLU 76 15.290 4.349 -2.572 585 2HG GLU 76 2HG GLU 76 14.730 5.605 -1.460 586 H GLY 77 H GLY 77 15.136 5.137 1.726 587 1HA GLY 77 1HA GLY 77 12.276 4.523 1.832 588 2HA GLY 77 2HA GLY 77 13.233 5.400 3.029 589 H PHE 78 H PHE 78 10.864 6.415 2.312 590 HA PHE 78 HA PHE 78 11.702 8.960 1.088 591 1HB PHE 78 1HB PHE 78 9.320 7.274 0.237 592 2HB PHE 78 2HB PHE 78 9.170 9.000 0.234 593 HD1 PHE 78 HD1 PHE 78 11.324 6.239 -1.125 594 HD2 PHE 78 HD2 PHE 78 10.097 10.359 -1.490 595 HE1 PHE 78 HE1 PHE 78 12.608 6.441 -3.229 596 HE2 PHE 78 HE2 PHE 78 11.374 10.545 -3.606 597 HZ PHE 78 HZ PHE 78 12.630 8.574 -4.476 598 HA PRO 79 HA PRO 79 9.820 10.602 4.732 599 1HB PRO 79 1HB PRO 79 8.850 13.034 3.881 600 2HB PRO 79 2HB PRO 79 10.600 12.669 4.056 601 1HG PRO 79 1HG PRO 79 8.858 12.589 1.582 602 2HG PRO 79 2HG PRO 79 10.473 13.344 1.772 603 1HD PRO 79 1HD PRO 79 10.149 10.888 0.670 604 2HD PRO 79 2HD PRO 79 11.553 11.246 1.721 605 H SER 80 H SER 80 7.746 9.759 2.084 606 HA SER 80 HA SER 80 5.358 9.817 3.845 607 1HB SER 80 1HB SER 80 5.384 10.680 0.969 608 2HB SER 80 2HB SER 80 4.046 10.758 2.036 609 HG SER 80 HG SER 80 5.243 12.254 3.363 610 H ILE 81 H ILE 81 3.858 8.245 3.266 611 HA ILE 81 HA ILE 81 4.945 5.759 2.211 612 HB ILE 81 HB ILE 81 2.197 6.605 3.167 613 1HG1 ILE 81 1HG1 ILE 81 4.143 4.596 4.371 614 2HG1 ILE 81 2HG1 ILE 81 4.209 6.301 4.770 615 1HG2 ILE 81 1HG2 ILE 81 1.393 4.349 3.061 616 2HG2 ILE 81 2HG2 ILE 81 1.934 4.784 1.446 617 3HG2 ILE 81 3HG2 ILE 81 2.951 3.753 2.475 618 1HD1 ILE 81 1HD1 ILE 81 1.736 4.619 5.283 619 2HD1 ILE 81 2HD1 ILE 81 3.016 4.957 6.459 620 3HD1 ILE 81 3HD1 ILE 81 2.061 6.289 5.810 621 HA PRO 82 HA PRO 82 1.994 6.702 -1.409 622 1HB PRO 82 1HB PRO 82 1.424 9.346 -2.094 623 2HB PRO 82 2HB PRO 82 0.398 8.324 -1.044 624 1HG PRO 82 1HG PRO 82 2.395 10.386 -0.205 625 2HG PRO 82 2HG PRO 82 0.798 10.061 0.497 626 1HD PRO 82 1HD PRO 82 2.938 9.168 1.669 627 2HD PRO 82 2HD PRO 82 1.481 8.197 1.673 628 H LEU 83 H LEU 83 4.567 8.993 -0.712 629 HA LEU 83 HA LEU 83 5.535 9.363 -3.363 630 1HB LEU 83 1HB LEU 83 6.659 9.705 -0.570 631 2HB LEU 83 2HB LEU 83 7.717 9.794 -1.956 632 HG LEU 83 HG LEU 83 6.405 11.624 -2.941 633 1HD1 LEU 83 1HD1 LEU 83 4.645 12.743 -2.074 634 2HD1 LEU 83 2HD1 LEU 83 4.863 12.165 -0.424 635 3HD1 LEU 83 3HD1 LEU 83 4.183 11.114 -1.690 636 1HD2 LEU 83 1HD2 LEU 83 7.100 13.350 -1.257 637 2HD2 LEU 83 2HD2 LEU 83 8.346 12.125 -1.516 638 3HD2 LEU 83 3HD2 LEU 83 7.326 12.075 -0.054 639 H LEU 84 H LEU 84 6.050 6.825 -0.917 640 HA LEU 84 HA LEU 84 8.223 5.579 -2.351 641 1HB LEU 84 1HB LEU 84 7.609 5.630 0.196 642 2HB LEU 84 2HB LEU 84 6.432 4.386 -0.218 643 HG LEU 84 HG LEU 84 8.371 3.438 0.813 644 1HD1 LEU 84 1HD1 LEU 84 8.668 2.655 -2.063 645 2HD1 LEU 84 2HD1 LEU 84 7.289 2.119 -1.050 646 3HD1 LEU 84 3HD1 LEU 84 8.966 1.677 -0.627 647 1HD2 LEU 84 1HD2 LEU 84 10.036 5.108 0.174 648 2HD2 LEU 84 2HD2 LEU 84 10.035 4.491 -1.503 649 3HD2 LEU 84 3HD2 LEU 84 10.606 3.478 -0.167 650 H ILE 85 H ILE 85 4.705 5.089 -2.094 651 HA ILE 85 HA ILE 85 4.466 2.549 -3.231 652 HB ILE 85 HB ILE 85 2.637 4.968 -3.463 653 1HG1 ILE 85 1HG1 ILE 85 2.820 4.131 -1.189 654 2HG1 ILE 85 2HG1 ILE 85 1.223 3.843 -1.832 655 1HG2 ILE 85 1HG2 ILE 85 0.810 3.344 -4.110 656 2HG2 ILE 85 2HG2 ILE 85 2.019 3.656 -5.357 657 3HG2 ILE 85 3HG2 ILE 85 2.093 2.155 -4.444 658 1HD1 ILE 85 1HD1 ILE 85 1.767 1.456 -2.159 659 2HD1 ILE 85 2HD1 ILE 85 3.403 1.751 -1.504 660 3HD1 ILE 85 3HD1 ILE 85 1.975 1.973 -0.482 661 H ASP 86 H ASP 86 4.885 5.655 -4.966 662 HA ASP 86 HA ASP 86 4.302 4.662 -7.550 663 1HB ASP 86 1HB ASP 86 4.561 7.041 -6.897 664 2HB ASP 86 2HB ASP 86 6.299 6.837 -6.745 665 H HIS 87 H HIS 87 7.415 4.757 -5.773 666 HA HIS 87 HA HIS 87 8.875 3.687 -7.986 667 1HB HIS 87 1HB HIS 87 9.640 3.835 -5.062 668 2HB HIS 87 2HB HIS 87 10.721 3.358 -6.357 669 HD1 HIS 87 HD1 HIS 87 12.176 5.320 -7.352 670 HD2 HIS 87 HD2 HIS 87 8.554 6.533 -5.518 671 HE1 HIS 87 HE1 HIS 87 12.133 7.828 -7.414 672 H LEU 88 H LEU 88 6.714 1.999 -5.743 673 HA LEU 88 HA LEU 88 7.909 -0.606 -6.187 674 1HB LEU 88 1HB LEU 88 5.895 0.698 -4.351 675 2HB LEU 88 2HB LEU 88 6.014 -1.045 -4.495 676 HG LEU 88 HG LEU 88 7.334 0.591 -2.859 677 1HD1 LEU 88 1HD1 LEU 88 8.268 -2.115 -4.030 678 2HD1 LEU 88 2HD1 LEU 88 7.096 -1.936 -2.708 679 3HD1 LEU 88 3HD1 LEU 88 8.810 -1.573 -2.425 680 1HD2 LEU 88 1HD2 LEU 88 9.044 1.565 -4.156 681 2HD2 LEU 88 2HD2 LEU 88 9.578 -0.030 -4.776 682 3HD2 LEU 88 3HD2 LEU 88 9.761 0.399 -3.063 683 H LEU 89 H LEU 89 5.448 1.494 -7.376 684 HA LEU 89 HA LEU 89 3.807 -0.716 -8.477 685 1HB LEU 89 1HB LEU 89 3.347 2.010 -7.799 686 2HB LEU 89 2HB LEU 89 3.224 1.972 -9.535 687 HG LEU 89 HG LEU 89 1.829 -0.184 -8.015 688 1HD1 LEU 89 1HD1 LEU 89 0.912 2.705 -8.009 689 2HD1 LEU 89 2HD1 LEU 89 1.225 1.619 -6.630 690 3HD1 LEU 89 3HD1 LEU 89 -0.164 1.324 -7.684 691 1HD2 LEU 89 1HD2 LEU 89 0.081 0.113 -9.649 692 2HD2 LEU 89 2HD2 LEU 89 1.652 -0.175 -10.441 693 3HD2 LEU 89 3HD2 LEU 89 0.965 1.473 -10.384 694 H SER 90 H SER 90 5.813 2.066 -9.512 695 HA SER 90 HA SER 90 5.252 1.264 -12.180 696 1HB SER 90 1HB SER 90 6.744 3.686 -11.099 697 2HB SER 90 2HB SER 90 6.091 3.504 -12.742 698 HG SER 90 HG SER 90 4.012 3.055 -11.656 699 H THR 91 H THR 91 7.635 0.217 -10.256 700 HA THR 91 HA THR 91 9.502 -0.345 -12.491 701 HB THR 91 HB THR 91 11.348 -0.239 -11.140 702 HG1 THR 91 HG1 THR 91 10.594 0.295 -8.707 703 1HG2 THR 91 1HG2 THR 91 11.397 1.893 -9.950 704 2HG2 THR 91 2HG2 THR 91 9.641 1.895 -9.762 705 3HG2 THR 91 3HG2 THR 91 10.366 2.092 -11.383 706 H GLN 92 H GLN 92 7.397 -1.587 -9.983 707 HA GLN 92 HA GLN 92 6.498 -3.604 -9.641 708 1HB GLN 92 1HB GLN 92 8.190 -4.744 -11.917 709 2HB GLN 92 2HB GLN 92 6.932 -5.584 -11.047 710 1HG GLN 92 1HG GLN 92 6.360 -2.994 -12.562 711 2HG GLN 92 2HG GLN 92 6.280 -4.597 -13.295 712 1HE2 GLN 92 2HE2 GLN 92 4.632 -2.367 -11.018 713 2HE2 GLN 92 1HE2 GLN 92 3.501 -3.509 -10.437 714 H GLN 93 H GLN 93 8.476 -2.536 -8.124 715 HA GLN 93 HA GLN 93 10.562 -4.492 -7.636 716 1HB GLN 93 1HB GLN 93 9.835 -1.865 -6.480 717 2HB GLN 93 2HB GLN 93 10.554 -3.007 -5.320 718 1HG GLN 93 1HG GLN 93 12.524 -3.296 -6.659 719 2HG GLN 93 2HG GLN 93 11.802 -2.461 -8.028 720 1HE2 GLN 93 2HE2 GLN 93 12.482 -0.465 -8.289 721 2HE2 GLN 93 1HE2 GLN 93 12.991 0.686 -7.043 722 HA PRO 94 HA PRO 94 8.207 -7.237 -5.179 723 1HB PRO 94 1HB PRO 94 10.131 -8.570 -3.724 724 2HB PRO 94 2HB PRO 94 9.882 -8.798 -5.479 725 1HG PRO 94 1HG PRO 94 11.865 -6.956 -4.079 726 2HG PRO 94 2HG PRO 94 12.185 -8.104 -5.418 727 1HD PRO 94 1HD PRO 94 11.756 -5.452 -5.918 728 2HD PRO 94 2HD PRO 94 11.100 -6.714 -6.997 729 H LEU 95 H LEU 95 7.324 -7.508 -3.097 730 HA LEU 95 HA LEU 95 7.860 -5.337 -1.181 731 1HB LEU 95 1HB LEU 95 5.730 -7.485 -1.064 732 2HB LEU 95 2HB LEU 95 5.827 -6.028 -0.104 733 HG LEU 95 HG LEU 95 5.221 -6.172 -3.064 734 1HD1 LEU 95 1HD1 LEU 95 3.460 -6.765 -1.448 735 2HD1 LEU 95 2HD1 LEU 95 3.077 -5.299 -2.366 736 3HD1 LEU 95 3HD1 LEU 95 3.650 -5.197 -0.679 737 1HD2 LEU 95 1HD2 LEU 95 6.662 -4.228 -2.663 738 2HD2 LEU 95 2HD2 LEU 95 5.528 -3.678 -1.389 739 3HD2 LEU 95 3HD2 LEU 95 5.011 -3.783 -3.093 740 H THR 96 H THR 96 8.600 -8.838 -1.297 741 HA THR 96 HA THR 96 10.180 -8.357 1.020 742 HB THR 96 HB THR 96 8.549 -9.091 2.444 743 HG1 THR 96 HG1 THR 96 9.091 -10.956 3.118 744 1HG2 THR 96 1HG2 THR 96 7.478 -10.914 0.277 745 2HG2 THR 96 2HG2 THR 96 6.672 -9.493 0.978 746 3HG2 THR 96 3HG2 THR 96 6.903 -10.943 1.961 747 H LYS 97 H LYS 97 11.942 -9.724 0.944 748 HA LYS 97 HA LYS 97 12.657 -10.806 -1.595 749 1HB LYS 97 1HB LYS 97 13.789 -11.155 1.206 750 2HB LYS 97 2HB LYS 97 14.593 -11.794 -0.217 751 1HG LYS 97 1HG LYS 97 13.900 -8.821 0.032 752 2HG LYS 97 2HG LYS 97 15.375 -9.512 0.666 753 1HD LYS 97 1HD LYS 97 16.075 -8.795 -1.353 754 2HD LYS 97 2HD LYS 97 15.744 -10.487 -1.722 755 1HE LYS 97 1HE LYS 97 13.798 -9.988 -2.934 756 2HE LYS 97 2HE LYS 97 13.604 -8.390 -2.177 757 1HZ LYS 97 1HZ LYS 97 14.487 -8.592 -4.548 758 2HZ LYS 97 2HZ LYS 97 15.931 -8.903 -3.873 759 3HZ LYS 97 3HZ LYS 97 15.146 -7.477 -3.534 760 H LYS 98 H LYS 98 10.684 -12.189 0.788 761 HA LYS 98 HA LYS 98 11.205 -14.966 -0.127 762 1HB LYS 98 1HB LYS 98 9.091 -13.791 1.747 763 2HB LYS 98 2HB LYS 98 9.288 -15.507 1.340 764 1HG LYS 98 1HG LYS 98 10.519 -15.518 3.262 765 2HG LYS 98 2HG LYS 98 11.817 -15.050 2.159 766 1HD LYS 98 1HD LYS 98 11.166 -12.614 2.665 767 2HD LYS 98 2HD LYS 98 10.089 -13.236 3.896 768 1HE LYS 98 1HE LYS 98 13.140 -13.401 3.742 769 2HE LYS 98 2HE LYS 98 12.171 -12.502 4.912 770 1HZ LYS 98 1HZ LYS 98 12.545 -15.404 4.707 771 2HZ LYS 98 2HZ LYS 98 11.272 -14.777 5.564 772 3HZ LYS 98 3HZ LYS 98 12.847 -14.455 5.997 773 H SER 99 H SER 99 8.275 -12.919 0.164 774 HA SER 99 HA SER 99 7.002 -14.697 -1.472 775 1HB SER 99 1HB SER 99 5.872 -12.035 -0.684 776 2HB SER 99 2HB SER 99 5.017 -13.572 -0.893 777 HG SER 99 HG SER 99 6.284 -14.361 0.893 778 H GLY 100 H GLY 100 8.648 -11.766 -2.390 779 1HA GLY 100 1HA GLY 100 8.909 -10.666 -4.336 780 2HA GLY 100 2HA GLY 100 8.360 -12.120 -5.137 781 H VAL 101 H VAL 101 5.955 -10.685 -3.037 782 HA VAL 101 HA VAL 101 4.053 -10.124 -5.000 783 HB VAL 101 HB VAL 101 4.492 -8.608 -2.427 784 1HG1 VAL 101 1HG1 VAL 101 1.968 -9.186 -3.994 785 2HG1 VAL 101 2HG1 VAL 101 2.019 -8.500 -2.354 786 3HG1 VAL 101 3HG1 VAL 101 2.744 -7.616 -3.688 787 1HG2 VAL 101 1HG2 VAL 101 3.601 -11.432 -2.725 788 2HG2 VAL 101 2HG2 VAL 101 4.578 -10.601 -1.474 789 3HG2 VAL 101 3HG2 VAL 101 2.829 -10.416 -1.498 790 H VAL 102 H VAL 102 3.540 -8.159 -6.222 791 HA VAL 102 HA VAL 102 5.402 -5.885 -5.810 792 HB VAL 102 HB VAL 102 5.675 -5.552 -8.090 793 1HG1 VAL 102 1HG1 VAL 102 5.849 -8.549 -7.938 794 2HG1 VAL 102 2HG1 VAL 102 6.723 -7.448 -9.019 795 3HG1 VAL 102 3HG1 VAL 102 7.045 -7.401 -7.275 796 1HG2 VAL 102 1HG2 VAL 102 3.760 -5.622 -9.234 797 2HG2 VAL 102 2HG2 VAL 102 4.438 -7.157 -9.789 798 3HG2 VAL 102 3HG2 VAL 102 3.211 -7.109 -8.497 799 H LEU 103 H LEU 103 4.263 -3.743 -6.524 800 HA LEU 103 HA LEU 103 1.397 -3.854 -5.854 801 1HB LEU 103 1HB LEU 103 3.148 -1.498 -6.603 802 2HB LEU 103 2HB LEU 103 1.502 -1.437 -5.994 803 HG LEU 103 HG LEU 103 4.011 -2.259 -4.500 804 1HD1 LEU 103 1HD1 LEU 103 1.992 -0.043 -4.028 805 2HD1 LEU 103 2HD1 LEU 103 3.557 0.174 -4.839 806 3HD1 LEU 103 3HD1 LEU 103 3.502 -0.301 -3.128 807 1HD2 LEU 103 1HD2 LEU 103 2.588 -2.526 -2.505 808 2HD2 LEU 103 2HD2 LEU 103 2.193 -3.731 -3.740 809 3HD2 LEU 103 3HD2 LEU 103 1.134 -2.327 -3.501 810 H HIS 104 H HIS 104 -0.203 -3.518 -7.465 811 HA HIS 104 HA HIS 104 0.757 -2.965 -10.232 812 1HB HIS 104 1HB HIS 104 0.089 -5.527 -9.258 813 2HB HIS 104 2HB HIS 104 -1.314 -5.032 -10.190 814 HD1 HIS 104 HD1 HIS 104 0.821 -3.479 -12.433 815 HD2 HIS 104 HD2 HIS 104 0.431 -7.466 -11.093 816 HE1 HIS 104 HE1 HIS 104 1.822 -4.941 -14.236 817 H ARG 105 H ARG 105 -2.121 -3.430 -8.102 818 HA ARG 105 HA ARG 105 -3.440 -1.296 -9.668 819 1HB ARG 105 1HB ARG 105 -4.270 -3.643 -10.258 820 2HB ARG 105 2HB ARG 105 -4.806 -3.754 -8.584 821 1HG ARG 105 1HG ARG 105 -6.738 -3.131 -9.794 822 2HG ARG 105 2HG ARG 105 -6.234 -1.648 -9.019 823 1HD ARG 105 1HD ARG 105 -4.994 -1.064 -11.176 824 2HD ARG 105 2HD ARG 105 -5.703 -2.521 -11.881 825 HE ARG 105 HE ARG 105 -7.759 -0.852 -10.754 826 1HH1 ARG 105 2HH1 ARG 105 -5.717 -1.355 -13.608 827 2HH1 ARG 105 1HH1 ARG 105 -6.792 -0.510 -14.683 828 1HH2 ARG 105 2HH2 ARG 105 -8.964 0.562 -12.066 829 2HH2 ARG 105 1HH2 ARG 105 -8.767 0.536 -13.788 830 H ALA 106 H ALA 106 -4.695 0.106 -8.489 831 HA ALA 106 HA ALA 106 -4.568 -0.153 -5.496 832 1HB ALA 106 1HB ALA 106 -3.322 1.747 -6.204 833 2HB ALA 106 2HB ALA 106 -4.601 2.267 -7.329 834 3HB ALA 106 3HB ALA 106 -4.872 2.353 -5.575 835 H VAL 107 H VAL 107 -6.451 -0.230 -4.383 836 HA VAL 107 HA VAL 107 -9.035 -0.203 -5.750 837 HB VAL 107 HB VAL 107 -8.346 -0.460 -2.787 838 1HG1 VAL 107 1HG1 VAL 107 -10.787 -0.032 -3.457 839 2HG1 VAL 107 2HG1 VAL 107 -10.740 -1.616 -4.288 840 3HG1 VAL 107 3HG1 VAL 107 -10.478 -1.483 -2.535 841 1HG2 VAL 107 1HG2 VAL 107 -8.588 -2.882 -3.056 842 2HG2 VAL 107 2HG2 VAL 107 -8.546 -2.701 -4.825 843 3HG2 VAL 107 3HG2 VAL 107 -7.136 -2.252 -3.827 844 HA PRO 108 HA PRO 108 -9.472 4.128 -4.427 845 1HB PRO 108 1HB PRO 108 -11.901 4.662 -5.500 846 2HB PRO 108 2HB PRO 108 -10.436 4.425 -6.498 847 1HG PRO 108 1HG PRO 108 -12.653 2.428 -5.962 848 2HG PRO 108 2HG PRO 108 -11.779 2.739 -7.495 849 1HD PRO 108 1HD PRO 108 -11.216 0.709 -5.655 850 2HD PRO 108 2HD PRO 108 -10.072 1.312 -6.892 851 H SER 109 H SER 109 -9.748 4.423 -2.287 852 HA SER 109 HA SER 109 -12.199 3.446 -0.937 853 1HB SER 109 1HB SER 109 -9.837 3.655 0.139 854 2HB SER 109 2HB SER 109 -10.178 5.385 0.215 855 HG SER 109 HG SER 109 -11.683 3.251 1.379 856 H GLY 110 H GLY 110 -10.781 6.440 -2.241 857 1HA GLY 110 1HA GLY 110 -12.182 8.269 -3.003 858 2HA GLY 110 2HA GLY 110 -13.244 7.987 -1.609 859 HA PRO 111 HA PRO 111 -9.527 10.778 -0.759 860 1HB PRO 111 1HB PRO 111 -10.546 13.310 -0.905 861 2HB PRO 111 2HB PRO 111 -9.993 12.395 -2.340 862 1HG PRO 111 1HG PRO 111 -12.829 12.717 -1.306 863 2HG PRO 111 2HG PRO 111 -12.237 12.895 -2.988 864 1HD PRO 111 1HD PRO 111 -13.384 10.580 -2.075 865 2HD PRO 111 2HD PRO 111 -12.048 10.566 -3.266 866 H SER 112 H SER 112 -12.878 11.278 0.518 867 HA SER 112 HA SER 112 -11.740 12.065 3.140 868 1HB SER 112 1HB SER 112 -13.920 13.069 2.100 869 2HB SER 112 2HB SER 112 -14.667 11.543 2.621 870 HG SER 112 HG SER 112 -13.759 13.724 4.021 871 H SER 113 H SER 113 -11.950 10.691 4.966 872 HA SER 113 HA SER 113 -12.915 7.947 4.512 873 1HB SER 113 1HB SER 113 -10.714 7.161 5.442 874 2HB SER 113 2HB SER 113 -10.697 7.862 3.809 875 HG SER 113 HG SER 113 -8.976 8.464 5.041 876 H GLY 114 H GLY 114 -12.752 6.657 6.510 877 1HA GLY 114 1HA GLY 114 -13.226 6.429 8.856 878 2HA GLY 114 2HA GLY 114 -13.583 8.163 8.941 Start of MODEL 15 1 1H GLY 1 H GLY 1 -21.303 4.118 -12.979 2 1HA GLY 1 1HA GLY 1 -20.915 6.975 -13.684 3 2HA GLY 1 2HA GLY 1 -21.522 6.414 -12.109 4 H SER 2 H SER 2 -18.646 6.933 -14.060 5 HA SER 2 HA SER 2 -16.904 5.892 -11.878 6 1HB SER 2 1HB SER 2 -16.468 5.369 -14.818 7 2HB SER 2 2HB SER 2 -15.526 4.756 -13.452 8 HG SER 2 HG SER 2 -16.942 3.185 -13.212 9 H SER 3 H SER 3 -15.542 7.520 -11.296 10 HA SER 3 HA SER 3 -14.978 9.658 -13.232 11 1HB SER 3 1HB SER 3 -15.696 10.271 -10.956 12 2HB SER 3 2HB SER 3 -14.336 9.374 -10.259 13 HG SER 3 HG SER 3 -14.001 11.663 -10.474 14 H GLY 4 H GLY 4 -12.861 8.048 -10.809 15 1HA GLY 4 1HA GLY 4 -11.013 6.642 -11.324 16 2HA GLY 4 2HA GLY 4 -10.881 7.377 -12.928 17 H SER 5 H SER 5 -8.675 7.179 -11.218 18 HA SER 5 HA SER 5 -7.869 9.950 -11.039 19 1HB SER 5 1HB SER 5 -9.002 8.950 -8.729 20 2HB SER 5 2HB SER 5 -7.306 8.491 -8.492 21 HG SER 5 HG SER 5 -6.728 10.640 -8.792 22 H SER 6 H SER 6 -5.698 10.052 -11.495 23 HA SER 6 HA SER 6 -3.948 7.763 -11.124 24 1HB SER 6 1HB SER 6 -4.277 9.030 -13.864 25 2HB SER 6 2HB SER 6 -3.318 7.611 -13.457 26 HG SER 6 HG SER 6 -6.129 7.935 -13.602 27 H GLY 7 H GLY 7 -1.915 8.495 -10.691 28 1HA GLY 7 1HA GLY 7 -0.088 9.924 -10.572 29 2HA GLY 7 2HA GLY 7 -0.980 11.160 -11.476 30 H GLU 8 H GLU 8 -0.818 9.550 -8.323 31 HA GLU 8 HA GLU 8 -1.547 12.103 -6.959 32 1HB GLU 8 1HB GLU 8 -2.605 9.298 -6.394 33 2HB GLU 8 2HB GLU 8 -2.708 10.646 -5.262 34 1HG GLU 8 1HG GLU 8 -4.734 10.833 -6.257 35 2HG GLU 8 2HG GLU 8 -3.760 12.009 -7.151 36 H VAL 9 H VAL 9 1.112 10.979 -7.607 37 HA VAL 9 HA VAL 9 2.177 9.637 -5.332 38 HB VAL 9 HB VAL 9 3.724 11.384 -7.263 39 1HG1 VAL 9 1HG1 VAL 9 4.431 8.886 -5.715 40 2HG1 VAL 9 2HG1 VAL 9 5.466 9.622 -6.967 41 3HG1 VAL 9 3HG1 VAL 9 5.076 10.526 -5.504 42 1HG2 VAL 9 1HG2 VAL 9 3.875 9.393 -8.760 43 2HG2 VAL 9 2HG2 VAL 9 2.655 8.584 -7.758 44 3HG2 VAL 9 3HG2 VAL 9 2.225 10.014 -8.679 45 H GLN 10 H GLN 10 2.536 13.032 -6.435 46 HA GLN 10 HA GLN 10 3.997 13.847 -4.156 47 1HB GLN 10 1HB GLN 10 2.418 15.612 -6.084 48 2HB GLN 10 2HB GLN 10 3.755 16.115 -5.049 49 1HG GLN 10 1HG GLN 10 3.876 14.272 -7.469 50 2HG GLN 10 2HG GLN 10 4.587 15.871 -7.300 51 1HE2 GLN 10 2HE2 GLN 10 5.645 12.832 -7.619 52 2HE2 GLN 10 1HE2 GLN 10 6.922 12.800 -6.401 53 H LYS 11 H LYS 11 0.656 13.389 -4.553 54 HA LYS 11 HA LYS 11 -0.513 15.317 -2.800 55 1HB LYS 11 1HB LYS 11 -1.251 12.596 -3.898 56 2HB LYS 11 2HB LYS 11 -2.242 13.234 -2.631 57 1HG LYS 11 1HG LYS 11 -1.648 14.976 -5.040 58 2HG LYS 11 2HG LYS 11 -2.824 13.655 -5.169 59 1HD LYS 11 1HD LYS 11 -4.058 14.541 -3.220 60 2HD LYS 11 2HD LYS 11 -2.952 15.922 -3.128 61 1HE LYS 11 1HE LYS 11 -3.705 16.807 -5.197 62 2HE LYS 11 2HE LYS 11 -4.489 15.290 -5.668 63 1HZ LYS 11 1HZ LYS 11 -5.423 16.569 -3.212 64 2HZ LYS 11 2HZ LYS 11 -6.207 15.632 -4.315 65 3HZ LYS 11 3HZ LYS 11 -5.939 17.182 -4.681 66 HA PRO 12 HA PRO 12 0.475 13.535 1.149 67 1HB PRO 12 1HB PRO 12 -1.746 13.923 2.651 68 2HB PRO 12 2HB PRO 12 -0.740 15.296 2.133 69 1HG PRO 12 1HG PRO 12 -3.279 14.279 0.920 70 2HG PRO 12 2HG PRO 12 -2.822 15.993 1.226 71 1HD PRO 12 1HD PRO 12 -2.601 14.768 -1.203 72 2HD PRO 12 2HD PRO 12 -1.499 16.074 -0.708 73 H LEU 13 H LEU 13 -0.126 11.760 2.577 74 HA LEU 13 HA LEU 13 -1.319 9.449 1.384 75 1HB LEU 13 1HB LEU 13 0.380 9.542 3.131 76 2HB LEU 13 2HB LEU 13 -0.790 10.178 4.291 77 HG LEU 13 HG LEU 13 -1.118 7.454 2.931 78 1HD1 LEU 13 1HD1 LEU 13 1.032 7.742 4.310 79 2HD1 LEU 13 2HD1 LEU 13 -0.091 6.485 4.894 80 3HD1 LEU 13 3HD1 LEU 13 0.014 8.059 5.710 81 1HD2 LEU 13 1HD2 LEU 13 -3.195 8.181 4.026 82 2HD2 LEU 13 2HD2 LEU 13 -2.315 8.614 5.504 83 3HD2 LEU 13 3HD2 LEU 13 -2.441 6.921 4.995 84 H HIS 14 H HIS 14 -2.554 12.075 3.483 85 HA HIS 14 HA HIS 14 -4.983 10.760 4.043 86 1HB HIS 14 1HB HIS 14 -5.609 12.768 5.223 87 2HB HIS 14 2HB HIS 14 -3.928 12.385 5.545 88 HD1 HIS 14 HD1 HIS 14 -5.903 14.772 3.215 89 HD2 HIS 14 HD2 HIS 14 -2.250 14.364 5.237 90 HE1 HIS 14 HE1 HIS 14 -4.631 16.998 2.899 91 H GLU 15 H GLU 15 -4.320 11.578 1.066 92 HA GLU 15 HA GLU 15 -7.153 12.204 0.397 93 1HB GLU 15 1HB GLU 15 -4.721 13.513 -0.913 94 2HB GLU 15 2HB GLU 15 -6.364 13.561 -1.544 95 1HG GLU 15 1HG GLU 15 -7.020 14.549 0.768 96 2HG GLU 15 2HG GLU 15 -5.321 14.942 0.927 97 H GLN 16 H GLN 16 -4.861 9.835 0.325 98 HA GLN 16 HA GLN 16 -4.788 9.256 -2.493 99 1HB GLN 16 1HB GLN 16 -4.186 7.534 -0.071 100 2HB GLN 16 2HB GLN 16 -3.843 7.044 -1.727 101 1HG GLN 16 1HG GLN 16 -2.712 9.492 -0.352 102 2HG GLN 16 2HG GLN 16 -1.884 7.957 -0.470 103 1HE2 GLN 16 2HE2 GLN 16 -1.368 10.800 -1.571 104 2HE2 GLN 16 1HE2 GLN 16 -0.968 10.435 -3.259 105 H LEU 17 H LEU 17 -5.452 7.254 -3.367 106 HA LEU 17 HA LEU 17 -8.326 6.853 -3.130 107 1HB LEU 17 1HB LEU 17 -7.788 5.268 -5.134 108 2HB LEU 17 2HB LEU 17 -7.842 6.981 -5.392 109 HG LEU 17 HG LEU 17 -5.186 5.612 -4.845 110 1HD1 LEU 17 1HD1 LEU 17 -6.544 5.779 -7.558 111 2HD1 LEU 17 2HD1 LEU 17 -6.281 4.291 -6.627 112 3HD1 LEU 17 3HD1 LEU 17 -4.897 5.207 -7.241 113 1HD2 LEU 17 1HD2 LEU 17 -5.187 8.125 -4.980 114 2HD2 LEU 17 2HD2 LEU 17 -5.907 8.012 -6.586 115 3HD2 LEU 17 3HD2 LEU 17 -4.281 7.382 -6.294 116 H TRP 18 H TRP 18 -5.440 4.733 -3.286 117 HA TRP 18 HA TRP 18 -6.711 2.428 -2.167 118 1HB TRP 18 1HB TRP 18 -4.295 1.722 -1.919 119 2HB TRP 18 2HB TRP 18 -4.840 2.077 -3.517 120 HD1 TRP 18 HD1 TRP 18 -3.453 3.827 -4.876 121 HE1 TRP 18 HE1 TRP 18 -1.568 5.456 -4.390 122 HE3 TRP 18 HE3 TRP 18 -3.225 3.387 0.250 123 HZ2 TRP 18 HZ2 TRP 18 -0.090 6.342 -2.201 124 HZ3 TRP 18 HZ3 TRP 18 -1.575 4.729 1.523 125 HH2 TRP 18 HH2 TRP 18 0.040 6.186 0.324 126 H TYR 19 H TYR 19 -5.866 5.355 -0.626 127 HA TYR 19 HA TYR 19 -5.362 3.980 1.950 128 1HB TYR 19 1HB TYR 19 -4.230 6.083 1.563 129 2HB TYR 19 2HB TYR 19 -5.795 6.916 1.417 130 HD1 TYR 19 HD1 TYR 19 -4.486 4.299 3.835 131 HD2 TYR 19 HD2 TYR 19 -6.005 8.303 3.315 132 HE1 TYR 19 HE1 TYR 19 -4.821 4.455 6.248 133 HE2 TYR 19 HE2 TYR 19 -6.166 8.530 5.757 134 HH TYR 19 HH TYR 19 -6.529 7.230 7.664 135 H HIS 20 H HIS 20 -7.083 2.930 2.757 136 HA HIS 20 HA HIS 20 -9.865 3.905 2.343 137 1HB HIS 20 1HB HIS 20 -8.753 1.187 3.166 138 2HB HIS 20 2HB HIS 20 -10.418 1.637 3.405 139 HD1 HIS 20 HD1 HIS 20 -11.882 0.646 1.568 140 HD2 HIS 20 HD2 HIS 20 -7.965 1.557 0.280 141 HE1 HIS 20 HE1 HIS 20 -11.770 0.133 -0.921 142 H GLY 21 H GLY 21 -7.549 2.988 5.042 143 1HA GLY 21 1HA GLY 21 -7.579 4.553 6.873 144 2HA GLY 21 2HA GLY 21 -9.322 4.346 6.963 145 H ALA 22 H ALA 22 -9.449 3.207 8.828 146 HA ALA 22 HA ALA 22 -7.398 1.334 9.678 147 1HB ALA 22 1HB ALA 22 -8.550 1.429 11.847 148 2HB ALA 22 2HB ALA 22 -8.345 3.057 11.166 149 3HB ALA 22 3HB ALA 22 -9.927 2.246 11.056 150 H ILE 23 H ILE 23 -8.775 0.332 7.602 151 HA ILE 23 HA ILE 23 -10.946 -1.297 8.243 152 HB ILE 23 HB ILE 23 -11.239 -1.358 6.081 153 1HG1 ILE 23 1HG1 ILE 23 -8.580 -2.782 5.650 154 2HG1 ILE 23 2HG1 ILE 23 -10.142 -3.532 6.021 155 1HG2 ILE 23 1HG2 ILE 23 -8.485 -0.191 5.571 156 2HG2 ILE 23 2HG2 ILE 23 -9.921 -0.172 4.532 157 3HG2 ILE 23 3HG2 ILE 23 -9.954 0.738 6.019 158 1HD1 ILE 23 1HD1 ILE 23 -9.748 -3.783 3.718 159 2HD1 ILE 23 2HD1 ILE 23 -11.104 -2.665 3.975 160 3HD1 ILE 23 3HD1 ILE 23 -9.506 -2.049 3.485 161 HA PRO 24 HA PRO 24 -9.081 -5.071 9.816 162 1HB PRO 24 1HB PRO 24 -11.133 -6.850 9.538 163 2HB PRO 24 2HB PRO 24 -11.190 -5.508 10.716 164 1HG PRO 24 1HG PRO 24 -12.377 -5.673 7.953 165 2HG PRO 24 2HG PRO 24 -13.174 -5.079 9.440 166 1HD PRO 24 1HD PRO 24 -12.054 -3.390 7.585 167 2HD PRO 24 2HD PRO 24 -12.063 -3.013 9.324 168 H ARG 25 H ARG 25 -8.424 -7.254 9.201 169 HA ARG 25 HA ARG 25 -7.481 -7.465 6.559 170 1HB ARG 25 1HB ARG 25 -6.766 -9.735 7.206 171 2HB ARG 25 2HB ARG 25 -6.447 -8.603 8.514 172 1HG ARG 25 1HG ARG 25 -8.647 -9.377 9.582 173 2HG ARG 25 2HG ARG 25 -8.735 -10.609 8.318 174 1HD ARG 25 1HD ARG 25 -6.398 -11.341 9.074 175 2HD ARG 25 2HD ARG 25 -6.633 -10.225 10.428 176 HE ARG 25 HE ARG 25 -8.613 -12.378 9.854 177 1HH1 ARG 25 2HH1 ARG 25 -6.332 -10.902 12.159 178 2HH1 ARG 25 1HH1 ARG 25 -6.612 -12.087 13.395 179 1HH2 ARG 25 2HH2 ARG 25 -9.107 -13.840 11.614 180 2HH2 ARG 25 1HH2 ARG 25 -8.169 -13.738 13.079 181 H ALA 26 H ALA 26 -10.573 -8.542 7.806 182 HA ALA 26 HA ALA 26 -11.017 -10.521 5.729 183 1HB ALA 26 1HB ALA 26 -13.065 -9.000 7.385 184 2HB ALA 26 2HB ALA 26 -13.265 -10.569 6.589 185 3HB ALA 26 3HB ALA 26 -12.156 -10.415 7.980 186 H GLU 27 H GLU 27 -11.779 -7.053 6.190 187 HA GLU 27 HA GLU 27 -13.453 -6.781 3.911 188 1HB GLU 27 1HB GLU 27 -11.886 -4.883 5.668 189 2HB GLU 27 2HB GLU 27 -12.806 -4.276 4.285 190 1HG GLU 27 1HG GLU 27 -14.067 -6.028 6.441 191 2HG GLU 27 2HG GLU 27 -13.914 -4.282 6.609 192 H VAL 28 H VAL 28 -9.982 -6.471 4.332 193 HA VAL 28 HA VAL 28 -9.121 -5.465 1.903 194 HB VAL 28 HB VAL 28 -8.014 -7.933 3.304 195 1HG1 VAL 28 1HG1 VAL 28 -7.187 -7.746 0.997 196 2HG1 VAL 28 2HG1 VAL 28 -6.605 -6.102 1.339 197 3HG1 VAL 28 3HG1 VAL 28 -5.922 -7.524 2.184 198 1HG2 VAL 28 1HG2 VAL 28 -7.083 -5.045 3.567 199 2HG2 VAL 28 2HG2 VAL 28 -8.019 -5.919 4.786 200 3HG2 VAL 28 3HG2 VAL 28 -6.390 -6.465 4.374 201 H ALA 29 H ALA 29 -9.851 -8.960 2.379 202 HA ALA 29 HA ALA 29 -9.485 -9.465 -0.416 203 1HB ALA 29 1HB ALA 29 -9.530 -11.091 1.718 204 2HB ALA 29 2HB ALA 29 -11.165 -11.369 1.102 205 3HB ALA 29 3HB ALA 29 -9.741 -11.623 0.015 206 H GLU 30 H GLU 30 -12.155 -8.177 1.245 207 HA GLU 30 HA GLU 30 -14.231 -8.940 -0.665 208 1HB GLU 30 1HB GLU 30 -14.896 -8.501 1.623 209 2HB GLU 30 2HB GLU 30 -14.031 -7.018 1.692 210 1HG GLU 30 1HG GLU 30 -16.305 -6.471 1.524 211 2HG GLU 30 2HG GLU 30 -15.443 -5.940 0.079 212 H LEU 31 H LEU 31 -11.813 -6.375 -0.221 213 HA LEU 31 HA LEU 31 -13.019 -4.644 -2.234 214 1HB LEU 31 1HB LEU 31 -10.398 -4.460 -0.695 215 2HB LEU 31 2HB LEU 31 -11.097 -3.192 -1.670 216 HG LEU 31 HG LEU 31 -12.546 -4.340 0.779 217 1HD1 LEU 31 1HD1 LEU 31 -11.706 -2.269 1.881 218 2HD1 LEU 31 2HD1 LEU 31 -10.642 -1.998 0.489 219 3HD1 LEU 31 3HD1 LEU 31 -10.456 -3.466 1.482 220 1HD2 LEU 31 1HD2 LEU 31 -13.679 -2.076 0.666 221 2HD2 LEU 31 2HD2 LEU 31 -14.043 -3.086 -0.752 222 3HD2 LEU 31 3HD2 LEU 31 -12.857 -1.767 -0.861 223 H LEU 32 H LEU 32 -10.055 -6.567 -1.802 224 HA LEU 32 HA LEU 32 -8.938 -5.792 -4.401 225 1HB LEU 32 1HB LEU 32 -7.980 -8.206 -2.818 226 2HB LEU 32 2HB LEU 32 -7.091 -7.132 -3.870 227 HG LEU 32 HG LEU 32 -7.912 -6.611 -1.016 228 1HD1 LEU 32 1HD1 LEU 32 -5.280 -6.939 -2.295 229 2HD1 LEU 32 2HD1 LEU 32 -6.076 -8.099 -1.219 230 3HD1 LEU 32 3HD1 LEU 32 -5.514 -6.520 -0.608 231 1HD2 LEU 32 1HD2 LEU 32 -8.148 -4.493 -1.919 232 2HD2 LEU 32 2HD2 LEU 32 -6.710 -4.667 -2.963 233 3HD2 LEU 32 3HD2 LEU 32 -6.506 -4.521 -1.229 234 H VAL 33 H VAL 33 -9.259 -7.042 -6.367 235 HA VAL 33 HA VAL 33 -10.611 -9.691 -5.968 236 HB VAL 33 HB VAL 33 -11.414 -7.546 -7.966 237 1HG1 VAL 33 1HG1 VAL 33 -12.581 -10.286 -7.367 238 2HG1 VAL 33 2HG1 VAL 33 -13.454 -9.000 -8.221 239 3HG1 VAL 33 3HG1 VAL 33 -11.985 -9.614 -8.916 240 1HG2 VAL 33 1HG2 VAL 33 -13.552 -7.482 -6.569 241 2HG2 VAL 33 2HG2 VAL 33 -12.735 -8.462 -5.350 242 3HG2 VAL 33 3HG2 VAL 33 -12.147 -6.833 -5.736 243 H HIS 34 H HIS 34 -8.208 -7.883 -7.806 244 HA HIS 34 HA HIS 34 -7.573 -10.505 -9.081 245 1HB HIS 34 1HB HIS 34 -7.260 -7.784 -10.371 246 2HB HIS 34 2HB HIS 34 -6.777 -9.329 -11.075 247 HD1 HIS 34 HD1 HIS 34 -8.753 -10.763 -12.252 248 HD2 HIS 34 HD2 HIS 34 -9.925 -7.284 -10.148 249 HE1 HIS 34 HE1 HIS 34 -11.228 -10.339 -12.786 250 H SER 35 H SER 35 -5.248 -10.556 -9.760 251 HA SER 35 HA SER 35 -3.596 -10.240 -7.556 252 1HB SER 35 1HB SER 35 -1.799 -10.555 -9.421 253 2HB SER 35 2HB SER 35 -3.025 -11.819 -9.217 254 HG SER 35 HG SER 35 -3.111 -11.495 -11.330 255 H GLY 36 H GLY 36 -2.614 -8.571 -6.706 256 1HA GLY 36 1HA GLY 36 -1.091 -6.755 -6.843 257 2HA GLY 36 2HA GLY 36 -1.716 -6.373 -8.459 258 H ASP 37 H ASP 37 -4.551 -6.644 -6.945 259 HA ASP 37 HA ASP 37 -5.055 -3.840 -6.526 260 1HB ASP 37 1HB ASP 37 -6.429 -6.436 -5.842 261 2HB ASP 37 2HB ASP 37 -6.953 -4.956 -5.046 262 H PHE 38 H PHE 38 -4.225 -2.602 -4.804 263 HA PHE 38 HA PHE 38 -3.690 -3.993 -2.240 264 1HB PHE 38 1HB PHE 38 -1.673 -2.659 -1.865 265 2HB PHE 38 2HB PHE 38 -1.471 -3.620 -3.307 266 HD1 PHE 38 HD1 PHE 38 -1.137 -2.709 -5.443 267 HD2 PHE 38 HD2 PHE 38 -2.003 -0.124 -2.103 268 HE1 PHE 38 HE1 PHE 38 -0.691 -0.752 -6.852 269 HE2 PHE 38 HE2 PHE 38 -1.433 1.846 -3.499 270 HZ PHE 38 HZ PHE 38 -0.857 1.541 -5.914 271 H LEU 39 H LEU 39 -3.659 -2.669 -0.356 272 HA LEU 39 HA LEU 39 -4.680 0.056 -0.462 273 1HB LEU 39 1HB LEU 39 -6.671 -0.297 0.679 274 2HB LEU 39 2HB LEU 39 -6.653 -1.500 -0.497 275 HG LEU 39 HG LEU 39 -5.577 -2.979 1.604 276 1HD1 LEU 39 1HD1 LEU 39 -5.612 -1.217 3.210 277 2HD1 LEU 39 2HD1 LEU 39 -6.723 -2.533 3.600 278 3HD1 LEU 39 3HD1 LEU 39 -7.382 -1.021 2.986 279 1HD2 LEU 39 1HD2 LEU 39 -7.636 -3.522 0.284 280 2HD2 LEU 39 2HD2 LEU 39 -8.495 -2.248 1.140 281 3HD2 LEU 39 3HD2 LEU 39 -7.943 -3.689 2.012 282 H VAL 40 H VAL 40 -4.372 1.107 1.669 283 HA VAL 40 HA VAL 40 -2.256 -0.097 3.384 284 HB VAL 40 HB VAL 40 -2.725 2.754 2.426 285 1HG1 VAL 40 1HG1 VAL 40 -0.793 1.797 4.580 286 2HG1 VAL 40 2HG1 VAL 40 -0.732 3.393 3.796 287 3HG1 VAL 40 3HG1 VAL 40 -2.126 2.963 4.781 288 1HG2 VAL 40 1HG2 VAL 40 -0.356 0.853 2.176 289 2HG2 VAL 40 2HG2 VAL 40 -1.459 1.313 0.860 290 3HG2 VAL 40 3HG2 VAL 40 -0.387 2.518 1.580 291 H ARG 41 H ARG 41 -3.462 -0.870 5.074 292 HA ARG 41 HA ARG 41 -5.669 0.812 6.041 293 1HB ARG 41 1HB ARG 41 -6.560 -1.179 7.136 294 2HB ARG 41 2HB ARG 41 -6.231 -1.437 5.409 295 1HG ARG 41 1HG ARG 41 -3.991 -2.424 6.193 296 2HG ARG 41 2HG ARG 41 -4.672 -2.595 7.800 297 1HD ARG 41 1HD ARG 41 -6.659 -3.808 6.584 298 2HD ARG 41 2HD ARG 41 -5.689 -3.674 5.111 299 HE ARG 41 HE ARG 41 -4.276 -5.293 5.761 300 1HH1 ARG 41 2HH1 ARG 41 -6.358 -4.533 8.547 301 2HH1 ARG 41 1HH1 ARG 41 -6.168 -6.070 9.309 302 1HH2 ARG 41 2HH2 ARG 41 -3.898 -7.329 6.902 303 2HH2 ARG 41 1HH2 ARG 41 -4.423 -7.421 8.549 304 H GLU 42 H GLU 42 -5.888 1.210 8.329 305 HA GLU 42 HA GLU 42 -3.307 1.388 9.836 306 1HB GLU 42 1HB GLU 42 -5.035 3.298 9.770 307 2HB GLU 42 2HB GLU 42 -5.974 2.313 10.901 308 1HG GLU 42 1HG GLU 42 -3.659 2.311 12.283 309 2HG GLU 42 2HG GLU 42 -3.354 3.734 11.308 310 H SER 43 H SER 43 -3.093 0.417 11.944 311 HA SER 43 HA SER 43 -3.942 -2.308 11.961 312 1HB SER 43 1HB SER 43 -1.742 -1.245 12.803 313 2HB SER 43 2HB SER 43 -2.658 -0.816 14.266 314 HG SER 43 HG SER 43 -1.610 -2.825 14.534 315 H GLN 44 H GLN 44 -4.636 -3.394 13.950 316 HA GLN 44 HA GLN 44 -7.224 -2.572 14.890 317 1HB GLN 44 1HB GLN 44 -6.945 -4.515 16.501 318 2HB GLN 44 2HB GLN 44 -7.006 -4.886 14.801 319 1HG GLN 44 1HG GLN 44 -4.280 -4.585 16.107 320 2HG GLN 44 2HG GLN 44 -5.240 -6.031 16.406 321 1HE2 GLN 44 2HE2 GLN 44 -2.995 -4.634 14.151 322 2HE2 GLN 44 1HE2 GLN 44 -3.389 -5.712 12.846 323 H GLY 45 H GLY 45 -6.845 -0.480 15.713 324 1HA GLY 45 1HA GLY 45 -6.813 0.951 17.505 325 2HA GLY 45 2HA GLY 45 -6.584 -0.440 18.564 326 H LYS 46 H LYS 46 -4.283 0.338 15.915 327 HA LYS 46 HA LYS 46 -2.452 1.504 17.897 328 1HB LYS 46 1HB LYS 46 -1.326 -0.376 15.819 329 2HB LYS 46 2HB LYS 46 -0.504 0.376 17.161 330 1HG LYS 46 1HG LYS 46 -2.646 -1.776 17.391 331 2HG LYS 46 2HG LYS 46 -0.906 -2.031 17.410 332 1HD LYS 46 1HD LYS 46 -0.590 -1.146 19.509 333 2HD LYS 46 2HD LYS 46 -2.017 -0.130 19.473 334 1HE LYS 46 1HE LYS 46 -2.220 -3.162 19.452 335 2HE LYS 46 2HE LYS 46 -2.087 -2.236 20.963 336 1HZ LYS 46 1HZ LYS 46 -4.255 -2.021 18.974 337 2HZ LYS 46 2HZ LYS 46 -4.054 -0.963 20.210 338 3HZ LYS 46 3HZ LYS 46 -4.401 -2.525 20.530 339 H GLN 47 H GLN 47 -1.361 3.233 17.049 340 HA GLN 47 HA GLN 47 -2.025 4.309 14.440 341 1HB GLN 47 1HB GLN 47 0.041 5.185 16.522 342 2HB GLN 47 2HB GLN 47 -0.444 6.087 15.080 343 1HG GLN 47 1HG GLN 47 -2.826 6.044 15.995 344 2HG GLN 47 2HG GLN 47 -2.154 5.472 17.518 345 1HE2 GLN 47 2HE2 GLN 47 -0.432 6.927 18.579 346 2HE2 GLN 47 1HE2 GLN 47 -0.490 8.632 18.231 347 H GLU 48 H GLU 48 -1.286 2.038 13.621 348 HA GLU 48 HA GLU 48 1.405 2.324 12.443 349 1HB GLU 48 1HB GLU 48 1.611 0.650 14.249 350 2HB GLU 48 2HB GLU 48 0.121 -0.141 13.734 351 1HG GLU 48 1HG GLU 48 1.949 -1.439 13.027 352 2HG GLU 48 2HG GLU 48 1.152 -0.745 11.611 353 H TYR 49 H TYR 49 1.401 1.446 10.252 354 HA TYR 49 HA TYR 49 -1.342 0.891 9.188 355 1HB TYR 49 1HB TYR 49 1.019 2.095 7.748 356 2HB TYR 49 2HB TYR 49 -0.512 1.618 6.995 357 HD1 TYR 49 HD1 TYR 49 1.282 4.374 8.263 358 HD2 TYR 49 HD2 TYR 49 -2.687 2.697 8.003 359 HE1 TYR 49 HE1 TYR 49 0.280 6.613 8.719 360 HE2 TYR 49 HE2 TYR 49 -3.667 4.935 8.437 361 HH TYR 49 HH TYR 49 -1.870 7.424 9.789 362 H VAL 50 H VAL 50 -1.497 -0.599 7.444 363 HA VAL 50 HA VAL 50 0.491 -2.792 7.301 364 HB VAL 50 HB VAL 50 -2.516 -2.902 7.753 365 1HG1 VAL 50 1HG1 VAL 50 -2.277 -5.401 7.682 366 2HG1 VAL 50 2HG1 VAL 50 -2.017 -4.619 6.113 367 3HG1 VAL 50 3HG1 VAL 50 -0.634 -5.191 7.066 368 1HG2 VAL 50 1HG2 VAL 50 -0.450 -4.343 9.347 369 2HG2 VAL 50 2HG2 VAL 50 -1.046 -2.718 9.805 370 3HG2 VAL 50 3HG2 VAL 50 -2.160 -4.093 9.740 371 H LEU 51 H LEU 51 0.949 -3.154 5.207 372 HA LEU 51 HA LEU 51 -0.718 -2.098 3.018 373 1HB LEU 51 1HB LEU 51 1.893 -2.273 3.070 374 2HB LEU 51 2HB LEU 51 1.691 -3.996 2.925 375 HG LEU 51 HG LEU 51 0.782 -3.793 0.700 376 1HD1 LEU 51 1HD1 LEU 51 0.550 -1.556 -0.431 377 2HD1 LEU 51 2HD1 LEU 51 0.800 -0.768 1.144 378 3HD1 LEU 51 3HD1 LEU 51 -0.631 -1.781 0.849 379 1HD2 LEU 51 1HD2 LEU 51 3.292 -3.454 1.117 380 2HD2 LEU 51 2HD2 LEU 51 3.023 -1.726 0.963 381 3HD2 LEU 51 3HD2 LEU 51 2.677 -2.796 -0.427 382 H SER 52 H SER 52 -2.197 -3.470 1.863 383 HA SER 52 HA SER 52 -1.715 -6.329 2.193 384 1HB SER 52 1HB SER 52 -4.474 -5.174 2.688 385 2HB SER 52 2HB SER 52 -4.017 -6.898 2.566 386 HG SER 52 HG SER 52 -2.381 -5.648 4.243 387 H VAL 53 H VAL 53 -1.904 -7.431 0.378 388 HA VAL 53 HA VAL 53 -3.143 -6.186 -1.979 389 HB VAL 53 HB VAL 53 -0.895 -5.348 -2.005 390 1HG1 VAL 53 1HG1 VAL 53 0.269 -6.878 -0.523 391 2HG1 VAL 53 2HG1 VAL 53 0.095 -8.204 -1.703 392 3HG1 VAL 53 3HG1 VAL 53 1.079 -6.779 -2.085 393 1HG2 VAL 53 1HG2 VAL 53 -0.110 -6.130 -4.153 394 2HG2 VAL 53 2HG2 VAL 53 -0.994 -7.655 -4.001 395 3HG2 VAL 53 3HG2 VAL 53 -1.857 -6.112 -4.186 396 H LEU 54 H LEU 54 -3.845 -7.747 -3.548 397 HA LEU 54 HA LEU 54 -4.129 -10.458 -2.460 398 1HB LEU 54 1HB LEU 54 -5.931 -8.945 -3.575 399 2HB LEU 54 2HB LEU 54 -5.190 -9.371 -5.095 400 HG LEU 54 HG LEU 54 -5.697 -11.828 -4.452 401 1HD1 LEU 54 1HD1 LEU 54 -5.890 -11.754 -2.168 402 2HD1 LEU 54 2HD1 LEU 54 -7.469 -12.186 -2.809 403 3HD1 LEU 54 3HD1 LEU 54 -7.201 -10.528 -2.215 404 1HD2 LEU 54 1HD2 LEU 54 -8.031 -11.671 -5.116 405 2HD2 LEU 54 2HD2 LEU 54 -7.020 -10.574 -6.066 406 3HD2 LEU 54 3HD2 LEU 54 -8.024 -9.931 -4.747 407 H TRP 55 H TRP 55 -2.339 -11.760 -2.824 408 HA TRP 55 HA TRP 55 -1.167 -11.696 -5.554 409 1HB TRP 55 1HB TRP 55 0.179 -10.785 -3.417 410 2HB TRP 55 2HB TRP 55 0.469 -12.490 -3.150 411 HD1 TRP 55 HD1 TRP 55 2.748 -13.164 -4.185 412 HE1 TRP 55 HE1 TRP 55 4.235 -12.302 -6.090 413 HE3 TRP 55 HE3 TRP 55 -0.372 -9.552 -6.034 414 HZ2 TRP 55 HZ2 TRP 55 4.086 -10.217 -8.143 415 HZ3 TRP 55 HZ3 TRP 55 0.323 -8.172 -7.987 416 HH2 TRP 55 HH2 TRP 55 2.504 -8.503 -9.033 417 H ASP 56 H ASP 56 -1.479 -13.610 -6.563 418 HA ASP 56 HA ASP 56 -2.005 -15.781 -6.923 419 1HB ASP 56 1HB ASP 56 0.335 -15.897 -6.401 420 2HB ASP 56 2HB ASP 56 0.005 -16.059 -4.688 421 H GLY 57 H GLY 57 -4.067 -14.560 -5.575 422 1HA GLY 57 1HA GLY 57 -6.069 -15.204 -4.673 423 2HA GLY 57 2HA GLY 57 -5.483 -16.876 -4.644 424 H LEU 58 H LEU 58 -3.852 -14.203 -2.962 425 HA LEU 58 HA LEU 58 -4.954 -15.040 -0.375 426 1HB LEU 58 1HB LEU 58 -2.968 -16.524 -1.010 427 2HB LEU 58 2HB LEU 58 -1.993 -15.079 -0.926 428 HG LEU 58 HG LEU 58 -1.668 -16.287 1.067 429 1HD1 LEU 58 1HD1 LEU 58 -1.950 -13.797 1.389 430 2HD1 LEU 58 2HD1 LEU 58 -2.238 -14.779 2.839 431 3HD1 LEU 58 3HD1 LEU 58 -3.597 -14.121 1.950 432 1HD2 LEU 58 1HD2 LEU 58 -3.458 -17.014 2.568 433 2HD2 LEU 58 2HD2 LEU 58 -3.688 -17.687 0.949 434 3HD2 LEU 58 3HD2 LEU 58 -4.677 -16.317 1.473 435 HA PRO 59 HA PRO 59 -4.275 -10.481 -0.419 436 1HB PRO 59 1HB PRO 59 -5.796 -9.912 1.759 437 2HB PRO 59 2HB PRO 59 -6.505 -10.221 0.142 438 1HG PRO 59 1HG PRO 59 -6.181 -12.144 2.444 439 2HG PRO 59 2HG PRO 59 -7.623 -11.894 1.392 440 1HD PRO 59 1HD PRO 59 -5.823 -13.905 1.098 441 2HD PRO 59 2HD PRO 59 -6.711 -13.196 -0.292 442 H ARG 60 H ARG 60 -2.123 -10.588 0.036 443 HA ARG 60 HA ARG 60 -0.988 -11.722 2.441 444 1HB ARG 60 1HB ARG 60 0.182 -9.511 0.740 445 2HB ARG 60 2HB ARG 60 1.031 -10.726 1.695 446 1HG ARG 60 1HG ARG 60 -0.544 -11.360 -0.842 447 2HG ARG 60 2HG ARG 60 1.177 -11.059 -0.805 448 1HD ARG 60 1HD ARG 60 1.659 -12.994 0.433 449 2HD ARG 60 2HD ARG 60 0.022 -13.140 1.043 450 HE ARG 60 HE ARG 60 -0.591 -13.553 -1.442 451 1HH1 ARG 60 2HH1 ARG 60 2.294 -15.027 0.222 452 2HH1 ARG 60 1HH1 ARG 60 2.257 -16.364 -0.868 453 1HH2 ARG 60 2HH2 ARG 60 -0.569 -15.410 -2.670 454 2HH2 ARG 60 1HH2 ARG 60 0.412 -16.765 -2.241 455 H HIS 61 H HIS 61 -0.331 -10.554 4.302 456 HA HIS 61 HA HIS 61 -1.134 -7.687 4.468 457 1HB HIS 61 1HB HIS 61 -1.457 -9.640 6.747 458 2HB HIS 61 2HB HIS 61 -1.977 -7.962 6.680 459 HD1 HIS 61 HD1 HIS 61 -4.109 -7.654 4.640 460 HD2 HIS 61 HD2 HIS 61 -3.024 -11.458 6.026 461 HE1 HIS 61 HE1 HIS 61 -6.194 -9.137 4.378 462 H PHE 62 H PHE 62 0.731 -6.637 4.537 463 HA PHE 62 HA PHE 62 2.908 -7.635 6.333 464 1HB PHE 62 1HB PHE 62 3.281 -5.830 3.935 465 2HB PHE 62 2HB PHE 62 4.479 -6.715 4.874 466 HD1 PHE 62 HD1 PHE 62 4.596 -9.252 4.658 467 HD2 PHE 62 HD2 PHE 62 2.340 -6.783 1.941 468 HE1 PHE 62 HE1 PHE 62 4.551 -11.112 3.017 469 HE2 PHE 62 HE2 PHE 62 2.366 -8.612 0.266 470 HZ PHE 62 HZ PHE 62 3.357 -10.799 0.818 471 H ILE 63 H ILE 63 3.687 -6.071 7.816 472 HA ILE 63 HA ILE 63 2.029 -3.712 8.256 473 HB ILE 63 HB ILE 63 4.473 -4.898 9.535 474 1HG1 ILE 63 1HG1 ILE 63 2.065 -5.671 9.975 475 2HG1 ILE 63 2HG1 ILE 63 3.061 -5.303 11.364 476 1HG2 ILE 63 1HG2 ILE 63 3.414 -2.099 10.096 477 2HG2 ILE 63 2HG2 ILE 63 4.350 -3.044 11.265 478 3HG2 ILE 63 3HG2 ILE 63 5.077 -2.621 9.714 479 1HD1 ILE 63 1HD1 ILE 63 1.151 -3.198 10.266 480 2HD1 ILE 63 2HD1 ILE 63 0.593 -4.455 11.370 481 3HD1 ILE 63 3HD1 ILE 63 1.855 -3.325 11.878 482 H ILE 64 H ILE 64 2.558 -1.537 7.804 483 HA ILE 64 HA ILE 64 4.203 -1.099 5.501 484 HB ILE 64 HB ILE 64 2.786 0.723 7.447 485 1HG1 ILE 64 1HG1 ILE 64 1.375 -0.609 5.906 486 2HG1 ILE 64 2HG1 ILE 64 1.202 1.123 5.711 487 1HG2 ILE 64 1HG2 ILE 64 4.532 2.142 6.701 488 2HG2 ILE 64 2HG2 ILE 64 4.404 1.570 5.019 489 3HG2 ILE 64 3HG2 ILE 64 3.120 2.554 5.745 490 1HD1 ILE 64 1HD1 ILE 64 1.204 -0.115 3.598 491 2HD1 ILE 64 2HD1 ILE 64 2.445 1.145 3.672 492 3HD1 ILE 64 3HD1 ILE 64 2.903 -0.562 3.898 493 H GLN 65 H GLN 65 5.921 0.105 5.387 494 HA GLN 65 HA GLN 65 8.083 -0.638 7.042 495 1HB GLN 65 1HB GLN 65 8.209 1.726 5.110 496 2HB GLN 65 2HB GLN 65 9.428 0.559 5.451 497 1HG GLN 65 1HG GLN 65 8.657 0.125 3.239 498 2HG GLN 65 2HG GLN 65 7.958 -1.151 4.249 499 1HE2 GLN 65 2HE2 GLN 65 7.181 1.986 2.574 500 2HE2 GLN 65 1HE2 GLN 65 5.511 1.530 2.305 501 H SER 66 H SER 66 9.650 0.922 7.997 502 HA SER 66 HA SER 66 9.169 3.611 8.576 503 1HB SER 66 1HB SER 66 7.412 3.266 10.063 504 2HB SER 66 2HB SER 66 7.958 1.644 10.470 505 HG SER 66 HG SER 66 9.116 4.074 11.428 506 H LEU 67 H LEU 67 11.082 4.332 9.200 507 HA LEU 67 HA LEU 67 13.043 2.562 10.515 508 1HB LEU 67 1HB LEU 67 14.854 3.811 9.205 509 2HB LEU 67 2HB LEU 67 14.098 2.408 8.498 510 HG LEU 67 HG LEU 67 13.184 5.234 7.769 511 1HD1 LEU 67 1HD1 LEU 67 14.734 5.007 5.800 512 2HD1 LEU 67 2HD1 LEU 67 15.379 3.519 6.512 513 3HD1 LEU 67 3HD1 LEU 67 15.608 5.074 7.336 514 1HD2 LEU 67 1HD2 LEU 67 11.601 3.700 6.919 515 2HD2 LEU 67 2HD2 LEU 67 12.797 2.469 6.670 516 3HD2 LEU 67 3HD2 LEU 67 12.708 3.869 5.559 517 H ASP 68 H ASP 68 13.298 5.947 9.345 518 HA ASP 68 HA ASP 68 13.198 6.775 12.218 519 1HB ASP 68 1HB ASP 68 15.433 6.772 10.918 520 2HB ASP 68 2HB ASP 68 14.812 8.182 10.076 521 H ASN 69 H ASN 69 13.019 8.297 8.966 522 HA ASN 69 HA ASN 69 10.420 9.480 9.602 523 1HB ASN 69 1HB ASN 69 12.119 11.053 10.398 524 2HB ASN 69 2HB ASN 69 12.902 11.051 8.807 525 1HD2 ASN 69 2HD2 ASN 69 12.549 13.175 8.198 526 2HD2 ASN 69 1HD2 ASN 69 10.959 13.939 8.219 527 H LEU 70 H LEU 70 11.643 7.441 7.897 528 HA LEU 70 HA LEU 70 10.493 8.233 5.266 529 1HB LEU 70 1HB LEU 70 12.933 6.450 5.465 530 2HB LEU 70 2HB LEU 70 12.230 7.089 4.018 531 HG LEU 70 HG LEU 70 13.362 9.065 6.016 532 1HD1 LEU 70 1HD1 LEU 70 14.997 7.377 4.101 533 2HD1 LEU 70 2HD1 LEU 70 15.080 7.409 5.894 534 3HD1 LEU 70 3HD1 LEU 70 15.567 8.829 4.956 535 1HD2 LEU 70 1HD2 LEU 70 12.119 9.891 4.061 536 2HD2 LEU 70 2HD2 LEU 70 13.234 9.020 2.974 537 3HD2 LEU 70 3HD2 LEU 70 13.826 10.345 3.996 538 H TYR 71 H TYR 71 10.324 6.079 3.914 539 HA TYR 71 HA TYR 71 9.482 3.717 5.530 540 1HB TYR 71 1HB TYR 71 8.062 4.879 3.078 541 2HB TYR 71 2HB TYR 71 7.509 3.547 4.072 542 HD1 TYR 71 HD1 TYR 71 7.782 7.171 3.709 543 HD2 TYR 71 HD2 TYR 71 6.487 3.996 6.308 544 HE1 TYR 71 HE1 TYR 71 6.552 8.825 5.118 545 HE2 TYR 71 HE2 TYR 71 5.220 5.605 7.675 546 HH TYR 71 HH TYR 71 4.325 7.816 7.660 547 H ARG 72 H ARG 72 10.567 1.819 4.555 548 HA ARG 72 HA ARG 72 11.447 1.977 1.730 549 1HB ARG 72 1HB ARG 72 13.667 1.182 2.342 550 2HB ARG 72 2HB ARG 72 13.352 2.738 3.102 551 1HG ARG 72 1HG ARG 72 14.189 1.753 4.956 552 2HG ARG 72 2HG ARG 72 12.569 1.078 5.109 553 1HD ARG 72 1HD ARG 72 13.681 -0.825 5.373 554 2HD ARG 72 2HD ARG 72 13.595 -0.860 3.608 555 HE ARG 72 HE ARG 72 15.871 0.525 3.973 556 1HH1 ARG 72 2HH1 ARG 72 14.988 -2.668 5.463 557 2HH1 ARG 72 1HH1 ARG 72 16.608 -2.921 5.976 558 1HH2 ARG 72 2HH2 ARG 72 17.991 -0.035 4.547 559 2HH2 ARG 72 1HH2 ARG 72 18.298 -1.477 5.468 560 H LEU 73 H LEU 73 11.339 -0.096 0.699 561 HA LEU 73 HA LEU 73 10.758 -2.398 2.486 562 1HB LEU 73 1HB LEU 73 8.688 -1.164 1.448 563 2HB LEU 73 2HB LEU 73 9.124 -1.999 -0.041 564 HG LEU 73 HG LEU 73 8.847 -4.094 0.754 565 1HD1 LEU 73 1HD1 LEU 73 9.726 -4.274 2.949 566 2HD1 LEU 73 2HD1 LEU 73 8.018 -4.539 3.184 567 3HD1 LEU 73 3HD1 LEU 73 8.713 -2.975 3.587 568 1HD2 LEU 73 1HD2 LEU 73 6.617 -2.370 1.867 569 2HD2 LEU 73 2HD2 LEU 73 6.482 -4.005 1.179 570 3HD2 LEU 73 3HD2 LEU 73 6.948 -2.655 0.145 571 H GLU 74 H GLU 74 12.081 -1.308 -0.518 572 HA GLU 74 HA GLU 74 13.020 -4.117 -0.914 573 1HB GLU 74 1HB GLU 74 11.729 -2.878 -2.854 574 2HB GLU 74 2HB GLU 74 13.266 -2.060 -3.097 575 1HG GLU 74 1HG GLU 74 12.571 -4.956 -3.406 576 2HG GLU 74 2HG GLU 74 13.348 -3.855 -4.551 577 H GLY 75 H GLY 75 14.068 -0.745 -1.649 578 1HA GLY 75 1HA GLY 75 16.780 -1.404 -0.617 579 2HA GLY 75 2HA GLY 75 16.411 -0.530 -2.112 580 H GLU 76 H GLU 76 15.926 1.661 -1.967 581 HA GLU 76 HA GLU 76 16.684 3.033 0.480 582 1HB GLU 76 1HB GLU 76 16.603 5.038 -0.904 583 2HB GLU 76 2HB GLU 76 17.578 3.756 -1.613 584 1HG GLU 76 1HG GLU 76 15.523 3.213 -3.089 585 2HG GLU 76 2HG GLU 76 14.840 4.742 -2.504 586 H GLY 77 H GLY 77 15.363 5.132 0.997 587 1HA GLY 77 1HA GLY 77 12.575 4.265 1.462 588 2HA GLY 77 2HA GLY 77 13.522 5.291 2.537 589 H PHE 78 H PHE 78 10.989 6.076 1.782 590 HA PHE 78 HA PHE 78 11.639 8.555 0.295 591 1HB PHE 78 1HB PHE 78 9.258 6.722 -0.182 592 2HB PHE 78 2HB PHE 78 9.114 8.419 -0.460 593 HD1 PHE 78 HD1 PHE 78 10.251 9.608 -2.261 594 HD2 PHE 78 HD2 PHE 78 10.974 5.394 -1.585 595 HE1 PHE 78 HE1 PHE 78 11.434 9.449 -4.425 596 HE2 PHE 78 HE2 PHE 78 12.154 5.262 -3.758 597 HZ PHE 78 HZ PHE 78 12.395 7.282 -5.169 598 HA PRO 79 HA PRO 79 9.905 10.472 3.836 599 1HB PRO 79 1HB PRO 79 9.062 12.883 2.866 600 2HB PRO 79 2HB PRO 79 10.766 12.365 2.774 601 1HG PRO 79 1HG PRO 79 8.600 12.038 0.677 602 2HG PRO 79 2HG PRO 79 10.161 12.887 0.467 603 1HD PRO 79 1HD PRO 79 9.901 10.357 -0.270 604 2HD PRO 79 2HD PRO 79 11.373 10.855 0.611 605 H SER 80 H SER 80 7.649 9.438 1.429 606 HA SER 80 HA SER 80 5.352 9.792 3.263 607 1HB SER 80 1HB SER 80 5.134 10.326 0.303 608 2HB SER 80 2HB SER 80 3.922 10.546 1.449 609 HG SER 80 HG SER 80 4.609 12.496 1.066 610 H ILE 81 H ILE 81 3.830 8.163 2.965 611 HA ILE 81 HA ILE 81 4.850 5.616 1.986 612 HB ILE 81 HB ILE 81 2.108 6.500 2.958 613 1HG1 ILE 81 1HG1 ILE 81 4.145 4.553 4.139 614 2HG1 ILE 81 2HG1 ILE 81 4.087 6.250 4.575 615 1HG2 ILE 81 1HG2 ILE 81 1.809 4.692 1.274 616 2HG2 ILE 81 2HG2 ILE 81 2.964 3.685 2.171 617 3HG2 ILE 81 3HG2 ILE 81 1.415 4.152 2.904 618 1HD1 ILE 81 1HD1 ILE 81 1.747 4.405 5.088 619 2HD1 ILE 81 2HD1 ILE 81 3.040 4.784 6.244 620 3HD1 ILE 81 3HD1 ILE 81 2.011 6.073 5.663 621 HA PRO 82 HA PRO 82 1.939 6.619 -1.653 622 1HB PRO 82 1HB PRO 82 1.452 9.281 -2.334 623 2HB PRO 82 2HB PRO 82 0.380 8.238 -1.363 624 1HG PRO 82 1HG PRO 82 2.319 10.270 -0.376 625 2HG PRO 82 2HG PRO 82 0.694 9.905 0.239 626 1HD PRO 82 1HD PRO 82 2.802 8.984 1.488 627 2HD PRO 82 2HD PRO 82 1.371 8.017 1.410 628 H LEU 83 H LEU 83 4.641 8.862 -0.952 629 HA LEU 83 HA LEU 83 5.474 9.092 -3.693 630 1HB LEU 83 1HB LEU 83 6.775 9.706 -1.017 631 2HB LEU 83 2HB LEU 83 7.756 9.558 -2.457 632 HG LEU 83 HG LEU 83 6.193 11.196 -3.613 633 1HD1 LEU 83 1HD1 LEU 83 4.889 12.711 -2.487 634 2HD1 LEU 83 2HD1 LEU 83 5.472 12.226 -0.903 635 3HD1 LEU 83 3HD1 LEU 83 4.377 11.163 -1.841 636 1HD2 LEU 83 1HD2 LEU 83 8.511 11.741 -2.791 637 2HD2 LEU 83 2HD2 LEU 83 7.780 12.318 -1.269 638 3HD2 LEU 83 3HD2 LEU 83 7.404 13.110 -2.827 639 H LEU 84 H LEU 84 6.069 6.672 -1.153 640 HA LEU 84 HA LEU 84 8.128 5.357 -2.705 641 1HB LEU 84 1HB LEU 84 7.368 5.329 -0.044 642 2HB LEU 84 2HB LEU 84 6.483 3.923 -0.606 643 HG LEU 84 HG LEU 84 9.430 4.392 -0.281 644 1HD1 LEU 84 1HD1 LEU 84 9.321 2.207 0.814 645 2HD1 LEU 84 2HD1 LEU 84 7.635 2.000 0.288 646 3HD1 LEU 84 3HD1 LEU 84 8.065 3.290 1.444 647 1HD2 LEU 84 1HD2 LEU 84 9.405 3.552 -2.599 648 2HD2 LEU 84 2HD2 LEU 84 8.381 2.197 -2.083 649 3HD2 LEU 84 3HD2 LEU 84 10.047 2.344 -1.490 650 H ILE 85 H ILE 85 4.624 5.066 -2.323 651 HA ILE 85 HA ILE 85 4.242 2.557 -3.553 652 HB ILE 85 HB ILE 85 2.536 5.070 -3.625 653 1HG1 ILE 85 1HG1 ILE 85 2.688 4.107 -1.415 654 2HG1 ILE 85 2HG1 ILE 85 1.087 3.898 -2.066 655 1HG2 ILE 85 1HG2 ILE 85 1.854 3.982 -5.599 656 2HG2 ILE 85 2HG2 ILE 85 1.904 2.397 -4.866 657 3HG2 ILE 85 3HG2 ILE 85 0.643 3.558 -4.382 658 1HD1 ILE 85 1HD1 ILE 85 1.761 1.938 -0.826 659 2HD1 ILE 85 2HD1 ILE 85 1.594 1.509 -2.536 660 3HD1 ILE 85 3HD1 ILE 85 3.216 1.748 -1.811 661 H ASP 86 H ASP 86 4.676 5.774 -5.153 662 HA ASP 86 HA ASP 86 4.221 4.689 -7.765 663 1HB ASP 86 1HB ASP 86 4.275 7.114 -7.064 664 2HB ASP 86 2HB ASP 86 6.031 7.055 -7.129 665 H HIS 87 H HIS 87 7.155 5.106 -5.856 666 HA HIS 87 HA HIS 87 8.926 4.163 -7.877 667 1HB HIS 87 1HB HIS 87 9.246 5.571 -5.570 668 2HB HIS 87 2HB HIS 87 9.833 3.996 -5.046 669 HD1 HIS 87 HD1 HIS 87 12.286 3.359 -6.007 670 HD2 HIS 87 HD2 HIS 87 10.469 6.814 -7.546 671 HE1 HIS 87 HE1 HIS 87 14.094 4.568 -7.347 672 H LEU 88 H LEU 88 6.716 2.307 -5.973 673 HA LEU 88 HA LEU 88 8.295 -0.161 -6.533 674 1HB LEU 88 1HB LEU 88 5.869 0.386 -4.834 675 2HB LEU 88 2HB LEU 88 6.437 -1.214 -5.246 676 HG LEU 88 HG LEU 88 7.243 0.651 -3.219 677 1HD1 LEU 88 1HD1 LEU 88 8.390 -1.435 -2.295 678 2HD1 LEU 88 2HD1 LEU 88 8.273 -2.161 -3.914 679 3HD1 LEU 88 3HD1 LEU 88 6.790 -1.827 -2.970 680 1HD2 LEU 88 1HD2 LEU 88 9.738 0.204 -3.107 681 2HD2 LEU 88 2HD2 LEU 88 9.235 1.386 -4.283 682 3HD2 LEU 88 3HD2 LEU 88 9.671 -0.256 -4.811 683 H LEU 89 H LEU 89 5.293 1.652 -7.209 684 HA LEU 89 HA LEU 89 4.020 -0.492 -8.593 685 1HB LEU 89 1HB LEU 89 3.237 2.010 -7.738 686 2HB LEU 89 2HB LEU 89 3.294 2.280 -9.465 687 HG LEU 89 HG LEU 89 1.998 -0.234 -8.487 688 1HD1 LEU 89 1HD1 LEU 89 1.142 1.261 -6.854 689 2HD1 LEU 89 2HD1 LEU 89 -0.147 0.998 -8.048 690 3HD1 LEU 89 3HD1 LEU 89 0.782 2.505 -8.077 691 1HD2 LEU 89 1HD2 LEU 89 1.992 0.212 -10.869 692 2HD2 LEU 89 2HD2 LEU 89 1.002 1.671 -10.541 693 3HD2 LEU 89 3HD2 LEU 89 0.375 0.072 -10.129 694 H SER 90 H SER 90 6.019 2.210 -9.642 695 HA SER 90 HA SER 90 5.577 1.585 -12.379 696 1HB SER 90 1HB SER 90 5.890 3.902 -11.581 697 2HB SER 90 2HB SER 90 7.472 3.494 -10.911 698 HG SER 90 HG SER 90 8.191 4.230 -12.631 699 H THR 91 H THR 91 7.768 0.449 -9.972 700 HA THR 91 HA THR 91 9.963 -0.189 -11.860 701 HB THR 91 HB THR 91 11.343 -0.239 -9.871 702 HG1 THR 91 HG1 THR 91 9.882 0.561 -7.941 703 1HG2 THR 91 1HG2 THR 91 10.761 2.032 -10.805 704 2HG2 THR 91 2HG2 THR 91 11.181 2.054 -9.080 705 3HG2 THR 91 3HG2 THR 91 9.490 2.182 -9.571 706 H GLN 92 H GLN 92 7.478 -1.521 -9.932 707 HA GLN 92 HA GLN 92 6.732 -3.618 -9.504 708 1HB GLN 92 1HB GLN 92 8.502 -4.453 -11.843 709 2HB GLN 92 2HB GLN 92 7.223 -5.414 -11.115 710 1HG GLN 92 1HG GLN 92 6.692 -2.670 -12.373 711 2HG GLN 92 2HG GLN 92 6.618 -4.178 -13.266 712 1HE2 GLN 92 2HE2 GLN 92 4.901 -2.175 -10.953 713 2HE2 GLN 92 1HE2 GLN 92 3.662 -3.288 -10.535 714 H GLN 93 H GLN 93 8.341 -2.807 -7.706 715 HA GLN 93 HA GLN 93 10.533 -4.735 -7.278 716 1HB GLN 93 1HB GLN 93 9.766 -2.074 -6.179 717 2HB GLN 93 2HB GLN 93 10.598 -3.174 -5.061 718 1HG GLN 93 1HG GLN 93 12.468 -3.441 -6.556 719 2HG GLN 93 2HG GLN 93 11.598 -2.662 -7.869 720 1HE2 GLN 93 2HE2 GLN 93 12.744 -0.828 -8.225 721 2HE2 GLN 93 1HE2 GLN 93 12.951 0.452 -7.029 722 HA PRO 94 HA PRO 94 8.036 -7.238 -4.632 723 1HB PRO 94 1HB PRO 94 9.957 -8.653 -3.273 724 2HB PRO 94 2HB PRO 94 9.722 -8.829 -5.047 725 1HG PRO 94 1HG PRO 94 11.755 -7.084 -3.619 726 2HG PRO 94 2HG PRO 94 12.047 -8.266 -4.930 727 1HD PRO 94 1HD PRO 94 11.714 -5.595 -5.519 728 2HD PRO 94 2HD PRO 94 11.026 -6.880 -6.547 729 H LEU 95 H LEU 95 7.032 -7.193 -2.834 730 HA LEU 95 HA LEU 95 7.531 -5.094 -0.932 731 1HB LEU 95 1HB LEU 95 5.548 -7.400 -0.846 732 2HB LEU 95 2HB LEU 95 5.624 -5.961 0.244 733 HG LEU 95 HG LEU 95 4.799 -6.041 -2.634 734 1HD1 LEU 95 1HD1 LEU 95 3.469 -5.253 -0.028 735 2HD1 LEU 95 2HD1 LEU 95 3.068 -6.611 -1.060 736 3HD1 LEU 95 3HD1 LEU 95 2.752 -4.970 -1.631 737 1HD2 LEU 95 1HD2 LEU 95 6.259 -4.140 -2.420 738 2HD2 LEU 95 2HD2 LEU 95 5.341 -3.579 -0.984 739 3HD2 LEU 95 3HD2 LEU 95 4.556 -3.616 -2.562 740 H THR 96 H THR 96 8.526 -8.425 -0.919 741 HA THR 96 HA THR 96 10.278 -7.852 1.145 742 HB THR 96 HB THR 96 8.596 -8.074 2.825 743 HG1 THR 96 HG1 THR 96 10.233 -9.018 3.622 744 1HG2 THR 96 1HG2 THR 96 7.155 -9.998 3.159 745 2HG2 THR 96 2HG2 THR 96 7.762 -10.728 1.655 746 3HG2 THR 96 3HG2 THR 96 6.808 -9.214 1.619 747 H LYS 97 H LYS 97 11.788 -9.597 1.400 748 HA LYS 97 HA LYS 97 12.252 -11.267 -0.819 749 1HB LYS 97 1HB LYS 97 13.712 -10.644 1.381 750 2HB LYS 97 2HB LYS 97 13.028 -12.150 1.975 751 1HG LYS 97 1HG LYS 97 14.979 -12.921 1.074 752 2HG LYS 97 2HG LYS 97 13.933 -13.148 -0.326 753 1HD LYS 97 1HD LYS 97 15.681 -10.722 0.222 754 2HD LYS 97 2HD LYS 97 16.212 -12.074 -0.760 755 1HE LYS 97 1HE LYS 97 13.757 -10.390 -1.452 756 2HE LYS 97 2HE LYS 97 15.364 -9.945 -1.947 757 1HZ LYS 97 1HZ LYS 97 15.619 -11.913 -3.165 758 2HZ LYS 97 2HZ LYS 97 14.218 -11.244 -3.643 759 3HZ LYS 97 3HZ LYS 97 14.211 -12.575 -2.653 760 H LYS 98 H LYS 98 10.168 -11.797 1.990 761 HA LYS 98 HA LYS 98 10.051 -14.639 1.668 762 1HB LYS 98 1HB LYS 98 8.423 -12.563 3.131 763 2HB LYS 98 2HB LYS 98 7.716 -14.147 2.930 764 1HG LYS 98 1HG LYS 98 10.453 -13.660 4.193 765 2HG LYS 98 2HG LYS 98 8.940 -13.851 5.068 766 1HD LYS 98 1HD LYS 98 9.486 -16.015 5.204 767 2HD LYS 98 2HD LYS 98 8.847 -16.132 3.564 768 1HE LYS 98 1HE LYS 98 11.231 -15.705 2.725 769 2HE LYS 98 2HE LYS 98 11.747 -15.742 4.405 770 1HZ LYS 98 1HZ LYS 98 10.623 -17.979 2.841 771 2HZ LYS 98 2HZ LYS 98 10.770 -18.033 4.486 772 3HZ LYS 98 3HZ LYS 98 12.108 -17.868 3.550 773 H SER 99 H SER 99 8.162 -12.116 -0.004 774 HA SER 99 HA SER 99 6.579 -14.307 -1.271 775 1HB SER 99 1HB SER 99 4.649 -12.701 -0.960 776 2HB SER 99 2HB SER 99 5.317 -13.433 0.516 777 HG SER 99 HG SER 99 5.158 -11.238 0.897 778 H GLY 100 H GLY 100 8.540 -11.529 -1.976 779 1HA GLY 100 1HA GLY 100 9.152 -10.768 -4.026 780 2HA GLY 100 2HA GLY 100 8.353 -12.179 -4.692 781 H VAL 101 H VAL 101 6.203 -10.064 -2.958 782 HA VAL 101 HA VAL 101 4.685 -9.902 -5.338 783 HB VAL 101 HB VAL 101 3.676 -10.552 -3.517 784 1HG1 VAL 101 1HG1 VAL 101 3.997 -8.528 -1.506 785 2HG1 VAL 101 2HG1 VAL 101 3.331 -10.145 -1.460 786 3HG1 VAL 101 3HG1 VAL 101 5.086 -9.930 -1.647 787 1HG2 VAL 101 1HG2 VAL 101 2.392 -8.590 -4.683 788 2HG2 VAL 101 2HG2 VAL 101 1.773 -9.165 -3.117 789 3HG2 VAL 101 3HG2 VAL 101 2.806 -7.726 -3.188 790 H VAL 102 H VAL 102 3.977 -8.155 -6.663 791 HA VAL 102 HA VAL 102 5.433 -5.639 -6.097 792 HB VAL 102 HB VAL 102 5.800 -5.305 -8.378 793 1HG1 VAL 102 1HG1 VAL 102 7.401 -7.086 -8.860 794 2HG1 VAL 102 2HG1 VAL 102 7.431 -6.731 -7.127 795 3HG1 VAL 102 3HG1 VAL 102 6.608 -8.178 -7.723 796 1HG2 VAL 102 1HG2 VAL 102 3.790 -6.414 -9.371 797 2HG2 VAL 102 2HG2 VAL 102 5.311 -6.793 -10.174 798 3HG2 VAL 102 3HG2 VAL 102 4.603 -7.986 -9.088 799 H LEU 103 H LEU 103 4.336 -3.637 -6.493 800 HA LEU 103 HA LEU 103 1.495 -3.692 -5.989 801 1HB LEU 103 1HB LEU 103 3.271 -1.432 -6.926 802 2HB LEU 103 2HB LEU 103 1.613 -1.264 -6.382 803 HG LEU 103 HG LEU 103 4.084 -1.838 -4.746 804 1HD1 LEU 103 1HD1 LEU 103 3.553 0.236 -3.697 805 2HD1 LEU 103 2HD1 LEU 103 1.987 0.305 -4.549 806 3HD1 LEU 103 3HD1 LEU 103 3.512 0.476 -5.450 807 1HD2 LEU 103 1HD2 LEU 103 2.651 -1.841 -2.721 808 2HD2 LEU 103 2HD2 LEU 103 2.268 -3.217 -3.752 809 3HD2 LEU 103 3HD2 LEU 103 1.196 -1.812 -3.740 810 H HIS 104 H HIS 104 -0.216 -3.365 -7.546 811 HA HIS 104 HA HIS 104 0.611 -2.952 -10.376 812 1HB HIS 104 1HB HIS 104 -0.025 -5.477 -9.147 813 2HB HIS 104 2HB HIS 104 -1.290 -5.120 -10.307 814 HD1 HIS 104 HD1 HIS 104 1.089 -3.640 -12.334 815 HD2 HIS 104 HD2 HIS 104 0.581 -7.555 -10.839 816 HE1 HIS 104 HE1 HIS 104 2.303 -5.138 -13.900 817 H ARG 105 H ARG 105 -2.140 -3.235 -8.079 818 HA ARG 105 HA ARG 105 -3.533 -1.271 -9.795 819 1HB ARG 105 1HB ARG 105 -4.328 -3.716 -10.269 820 2HB ARG 105 2HB ARG 105 -5.044 -3.647 -8.670 821 1HG ARG 105 1HG ARG 105 -6.851 -2.901 -9.875 822 2HG ARG 105 2HG ARG 105 -6.097 -1.345 -9.623 823 1HD ARG 105 1HD ARG 105 -4.892 -1.634 -11.833 824 2HD ARG 105 2HD ARG 105 -5.815 -3.121 -12.088 825 HE ARG 105 HE ARG 105 -6.704 -0.363 -12.303 826 1HH1 ARG 105 2HH1 ARG 105 -7.907 -3.696 -11.730 827 2HH1 ARG 105 1HH1 ARG 105 -9.480 -3.373 -12.350 828 1HH2 ARG 105 2HH2 ARG 105 -8.779 0.044 -13.134 829 2HH2 ARG 105 1HH2 ARG 105 -10.035 -1.122 -13.049 830 H ALA 106 H ALA 106 -4.981 0.140 -8.550 831 HA ALA 106 HA ALA 106 -4.678 -0.149 -5.592 832 1HB ALA 106 1HB ALA 106 -4.731 2.332 -7.352 833 2HB ALA 106 2HB ALA 106 -4.744 2.309 -5.579 834 3HB ALA 106 3HB ALA 106 -3.329 1.684 -6.466 835 H VAL 107 H VAL 107 -6.546 -0.060 -4.410 836 HA VAL 107 HA VAL 107 -9.103 -0.110 -5.841 837 HB VAL 107 HB VAL 107 -8.512 -0.268 -2.855 838 1HG1 VAL 107 1HG1 VAL 107 -10.891 0.187 -3.510 839 2HG1 VAL 107 2HG1 VAL 107 -10.868 -1.285 -4.514 840 3HG1 VAL 107 3HG1 VAL 107 -10.686 -1.379 -2.748 841 1HG2 VAL 107 1HG2 VAL 107 -8.745 -2.723 -3.103 842 2HG2 VAL 107 2HG2 VAL 107 -8.602 -2.537 -4.866 843 3HG2 VAL 107 3HG2 VAL 107 -7.255 -2.076 -3.788 844 HA PRO 108 HA PRO 108 -9.565 4.258 -4.772 845 1HB PRO 108 1HB PRO 108 -11.757 4.852 -6.177 846 2HB PRO 108 2HB PRO 108 -10.182 4.513 -6.969 847 1HG PRO 108 1HG PRO 108 -12.545 2.611 -6.618 848 2HG PRO 108 2HG PRO 108 -11.513 2.836 -8.068 849 1HD PRO 108 1HD PRO 108 -11.228 0.846 -6.144 850 2HD PRO 108 2HD PRO 108 -9.927 1.414 -7.237 851 H SER 109 H SER 109 -10.038 4.456 -2.702 852 HA SER 109 HA SER 109 -12.672 3.732 -1.589 853 1HB SER 109 1HB SER 109 -10.458 3.339 -0.444 854 2HB SER 109 2HB SER 109 -10.303 5.087 -0.258 855 HG SER 109 HG SER 109 -11.561 5.011 1.334 856 H GLY 110 H GLY 110 -11.691 6.316 -3.472 857 1HA GLY 110 1HA GLY 110 -12.679 8.365 -3.814 858 2HA GLY 110 2HA GLY 110 -13.626 8.172 -2.331 859 HA PRO 111 HA PRO 111 -9.966 11.053 -1.776 860 1HB PRO 111 1HB PRO 111 -11.252 13.412 -1.344 861 2HB PRO 111 2HB PRO 111 -11.170 12.667 -2.973 862 1HG PRO 111 1HG PRO 111 -13.431 12.523 -0.945 863 2HG PRO 111 2HG PRO 111 -13.513 12.969 -2.682 864 1HD PRO 111 1HD PRO 111 -14.005 10.416 -1.755 865 2HD PRO 111 2HD PRO 111 -13.278 10.718 -3.360 866 H SER 112 H SER 112 -12.317 9.975 0.478 867 HA SER 112 HA SER 112 -10.897 11.057 2.807 868 1HB SER 112 1HB SER 112 -12.245 12.958 2.252 869 2HB SER 112 2HB SER 112 -13.629 11.958 1.803 870 HG SER 112 HG SER 112 -14.107 11.591 3.819 871 H SER 113 H SER 113 -12.061 10.322 4.807 872 HA SER 113 HA SER 113 -13.141 7.557 4.463 873 1HB SER 113 1HB SER 113 -11.850 8.572 6.981 874 2HB SER 113 2HB SER 113 -11.975 6.913 6.373 875 HG SER 113 HG SER 113 -10.389 8.996 5.294 876 H GLY 114 H GLY 114 -14.727 6.964 6.182 877 1HA GLY 114 1HA GLY 114 -15.984 8.219 8.141 878 2HA GLY 114 2HA GLY 114 -16.616 9.118 6.732 Start of MODEL 16 1 1H GLY 1 H GLY 1 -20.022 10.355 -15.175 2 1HA GLY 1 1HA GLY 1 -18.853 10.406 -13.009 3 2HA GLY 1 2HA GLY 1 -17.792 9.130 -13.649 4 H SER 2 H SER 2 -16.739 11.443 -12.723 5 HA SER 2 HA SER 2 -15.969 13.095 -15.086 6 1HB SER 2 1HB SER 2 -16.666 14.091 -12.310 7 2HB SER 2 2HB SER 2 -16.507 15.046 -13.795 8 HG SER 2 HG SER 2 -18.495 14.530 -14.336 9 H SER 3 H SER 3 -14.780 11.151 -12.579 10 HA SER 3 HA SER 3 -12.595 12.824 -11.685 11 1HB SER 3 1HB SER 3 -13.265 9.878 -11.338 12 2HB SER 3 2HB SER 3 -11.943 10.734 -10.503 13 HG SER 3 HG SER 3 -13.358 11.312 -9.125 14 H GLY 4 H GLY 4 -10.406 11.073 -11.759 15 1HA GLY 4 1HA GLY 4 -9.553 9.894 -14.033 16 2HA GLY 4 2HA GLY 4 -9.405 11.622 -14.429 17 H SER 5 H SER 5 -8.415 12.977 -12.657 18 HA SER 5 HA SER 5 -6.559 13.504 -11.409 19 1HB SER 5 1HB SER 5 -7.968 11.454 -9.659 20 2HB SER 5 2HB SER 5 -6.958 12.806 -9.110 21 HG SER 5 HG SER 5 -9.241 13.284 -9.070 22 H SER 6 H SER 6 -5.158 12.446 -13.092 23 HA SER 6 HA SER 6 -3.954 9.903 -12.605 24 1HB SER 6 1HB SER 6 -2.829 12.331 -14.059 25 2HB SER 6 2HB SER 6 -2.405 10.633 -14.327 26 HG SER 6 HG SER 6 -3.882 11.584 -15.857 27 H GLY 7 H GLY 7 -1.770 9.494 -11.901 28 1HA GLY 7 1HA GLY 7 -0.082 9.545 -10.371 29 2HA GLY 7 2HA GLY 7 0.303 11.041 -11.204 30 H GLU 8 H GLU 8 -1.839 9.836 -8.568 31 HA GLU 8 HA GLU 8 -1.758 12.433 -7.201 32 1HB GLU 8 1HB GLU 8 -3.194 9.829 -6.606 33 2HB GLU 8 2HB GLU 8 -3.264 11.257 -5.561 34 1HG GLU 8 1HG GLU 8 -4.045 12.633 -7.481 35 2HG GLU 8 2HG GLU 8 -4.066 11.194 -8.490 36 H VAL 9 H VAL 9 0.773 10.681 -7.507 37 HA VAL 9 HA VAL 9 1.609 9.520 -5.169 38 HB VAL 9 HB VAL 9 3.271 11.226 -7.072 39 1HG1 VAL 9 1HG1 VAL 9 4.515 10.447 -5.104 40 2HG1 VAL 9 2HG1 VAL 9 4.048 8.766 -5.469 41 3HG1 VAL 9 3HG1 VAL 9 5.101 9.669 -6.578 42 1HG2 VAL 9 1HG2 VAL 9 2.369 8.345 -7.398 43 2HG2 VAL 9 2HG2 VAL 9 1.988 9.698 -8.481 44 3HG2 VAL 9 3HG2 VAL 9 3.641 9.113 -8.371 45 H GLN 10 H GLN 10 2.044 12.955 -6.173 46 HA GLN 10 HA GLN 10 3.581 13.510 -3.834 47 1HB GLN 10 1HB GLN 10 2.497 15.358 -5.999 48 2HB GLN 10 2HB GLN 10 3.745 15.781 -4.832 49 1HG GLN 10 1HG GLN 10 3.917 13.650 -6.992 50 2HG GLN 10 2HG GLN 10 4.765 15.197 -6.972 51 1HE2 GLN 10 2HE2 GLN 10 5.681 12.224 -6.923 52 2HE2 GLN 10 1HE2 GLN 10 6.813 12.130 -5.587 53 H LYS 11 H LYS 11 0.282 13.500 -4.385 54 HA LYS 11 HA LYS 11 -0.676 15.543 -2.578 55 1HB LYS 11 1HB LYS 11 -1.847 12.871 -3.493 56 2HB LYS 11 2HB LYS 11 -2.664 13.915 -2.373 57 1HG LYS 11 1HG LYS 11 -2.398 15.795 -4.111 58 2HG LYS 11 2HG LYS 11 -1.981 14.519 -5.271 59 1HD LYS 11 1HD LYS 11 -4.165 13.458 -4.954 60 2HD LYS 11 2HD LYS 11 -4.494 14.484 -3.554 61 1HE LYS 11 1HE LYS 11 -4.072 16.441 -5.338 62 2HE LYS 11 2HE LYS 11 -4.600 15.181 -6.474 63 1HZ LYS 11 1HZ LYS 11 -6.414 16.559 -5.599 64 2HZ LYS 11 2HZ LYS 11 -6.061 16.069 -4.059 65 3HZ LYS 11 3HZ LYS 11 -6.620 14.977 -5.154 66 HA PRO 12 HA PRO 12 0.387 13.783 1.323 67 1HB PRO 12 1HB PRO 12 -1.848 14.132 2.904 68 2HB PRO 12 2HB PRO 12 -0.747 15.446 2.451 69 1HG PRO 12 1HG PRO 12 -3.367 14.673 1.176 70 2HG PRO 12 2HG PRO 12 -2.803 16.320 1.601 71 1HD PRO 12 1HD PRO 12 -2.642 15.374 -0.922 72 2HD PRO 12 2HD PRO 12 -1.346 16.386 -0.275 73 H LEU 13 H LEU 13 -0.149 11.981 2.788 74 HA LEU 13 HA LEU 13 -1.282 9.699 1.524 75 1HB LEU 13 1HB LEU 13 0.335 9.727 3.349 76 2HB LEU 13 2HB LEU 13 -0.919 10.204 4.503 77 HG LEU 13 HG LEU 13 -1.293 7.706 2.791 78 1HD1 LEU 13 1HD1 LEU 13 -0.088 6.341 4.288 79 2HD1 LEU 13 2HD1 LEU 13 0.040 7.616 5.509 80 3HD1 LEU 13 3HD1 LEU 13 0.979 7.743 4.034 81 1HD2 LEU 13 1HD2 LEU 13 -2.165 8.368 5.638 82 2HD2 LEU 13 2HD2 LEU 13 -2.454 6.846 4.780 83 3HD2 LEU 13 3HD2 LEU 13 -3.221 8.328 4.210 84 H HIS 14 H HIS 14 -2.724 12.238 3.572 85 HA HIS 14 HA HIS 14 -5.115 10.754 3.956 86 1HB HIS 14 1HB HIS 14 -5.888 12.603 5.207 87 2HB HIS 14 2HB HIS 14 -4.172 12.462 5.526 88 HD1 HIS 14 HD1 HIS 14 -6.591 14.579 3.350 89 HD2 HIS 14 HD2 HIS 14 -2.856 14.716 5.290 90 HE1 HIS 14 HE1 HIS 14 -5.765 16.950 3.094 91 H GLU 15 H GLU 15 -4.195 12.039 1.051 92 HA GLU 15 HA GLU 15 -7.045 12.459 0.208 93 1HB GLU 15 1HB GLU 15 -4.524 13.723 -0.934 94 2HB GLU 15 2HB GLU 15 -6.040 13.594 -1.816 95 1HG GLU 15 1HG GLU 15 -6.969 14.728 0.465 96 2HG GLU 15 2HG GLU 15 -5.355 15.420 0.425 97 H GLN 16 H GLN 16 -4.731 10.135 0.428 98 HA GLN 16 HA GLN 16 -4.685 9.263 -2.312 99 1HB GLN 16 1HB GLN 16 -4.055 7.770 0.263 100 2HB GLN 16 2HB GLN 16 -3.739 7.137 -1.354 101 1HG GLN 16 1HG GLN 16 -2.582 9.671 -0.176 102 2HG GLN 16 2HG GLN 16 -1.736 8.146 -0.305 103 1HE2 GLN 16 2HE2 GLN 16 -1.204 10.947 -1.479 104 2HE2 GLN 16 1HE2 GLN 16 -1.054 10.634 -3.196 105 H LEU 17 H LEU 17 -5.407 7.271 -2.984 106 HA LEU 17 HA LEU 17 -8.305 7.016 -2.665 107 1HB LEU 17 1HB LEU 17 -7.936 5.714 -4.862 108 2HB LEU 17 2HB LEU 17 -7.788 7.422 -4.913 109 HG LEU 17 HG LEU 17 -5.294 5.747 -4.525 110 1HD1 LEU 17 1HD1 LEU 17 -6.669 6.214 -7.185 111 2HD1 LEU 17 2HD1 LEU 17 -6.421 4.658 -6.362 112 3HD1 LEU 17 3HD1 LEU 17 -5.028 5.578 -6.954 113 1HD2 LEU 17 1HD2 LEU 17 -5.359 8.395 -4.525 114 2HD2 LEU 17 2HD2 LEU 17 -5.569 8.194 -6.247 115 3HD2 LEU 17 3HD2 LEU 17 -4.122 7.542 -5.449 116 H TRP 18 H TRP 18 -5.384 4.945 -2.941 117 HA TRP 18 HA TRP 18 -6.669 2.525 -2.036 118 1HB TRP 18 1HB TRP 18 -4.208 1.858 -1.858 119 2HB TRP 18 2HB TRP 18 -4.831 2.245 -3.423 120 HD1 TRP 18 HD1 TRP 18 -3.438 3.979 -4.801 121 HE1 TRP 18 HE1 TRP 18 -1.529 5.607 -4.320 122 HE3 TRP 18 HE3 TRP 18 -3.224 3.567 0.314 123 HZ2 TRP 18 HZ2 TRP 18 -0.017 6.433 -2.131 124 HZ3 TRP 18 HZ3 TRP 18 -1.577 4.886 1.599 125 HH2 TRP 18 HH2 TRP 18 0.100 6.283 0.401 126 H TYR 19 H TYR 19 -6.027 5.310 -0.341 127 HA TYR 19 HA TYR 19 -5.306 3.912 2.165 128 1HB TYR 19 1HB TYR 19 -4.301 6.079 1.758 129 2HB TYR 19 2HB TYR 19 -5.890 6.831 1.596 130 HD1 TYR 19 HD1 TYR 19 -6.151 8.289 3.412 131 HD2 TYR 19 HD2 TYR 19 -4.520 4.353 4.130 132 HE1 TYR 19 HE1 TYR 19 -6.226 8.700 5.841 133 HE2 TYR 19 HE2 TYR 19 -4.582 4.746 6.526 134 HH TYR 19 HH TYR 19 -6.096 7.583 7.989 135 H HIS 20 H HIS 20 -7.081 2.519 2.478 136 HA HIS 20 HA HIS 20 -9.822 3.593 2.469 137 1HB HIS 20 1HB HIS 20 -8.731 0.834 3.036 138 2HB HIS 20 2HB HIS 20 -10.436 1.273 3.233 139 HD1 HIS 20 HD1 HIS 20 -11.852 0.703 1.069 140 HD2 HIS 20 HD2 HIS 20 -7.783 1.535 0.385 141 HE1 HIS 20 HE1 HIS 20 -11.378 0.077 -1.310 142 H GLY 21 H GLY 21 -7.481 4.260 4.612 143 1HA GLY 21 1HA GLY 21 -7.595 5.300 6.567 144 2HA GLY 21 2HA GLY 21 -9.264 4.786 6.797 145 H ALA 22 H ALA 22 -9.526 3.271 8.193 146 HA ALA 22 HA ALA 22 -7.420 1.406 9.165 147 1HB ALA 22 1HB ALA 22 -7.973 3.311 10.706 148 2HB ALA 22 2HB ALA 22 -9.637 2.732 10.775 149 3HB ALA 22 3HB ALA 22 -8.306 1.713 11.385 150 H ILE 23 H ILE 23 -7.976 -0.469 8.104 151 HA ILE 23 HA ILE 23 -10.740 -1.453 8.441 152 HB ILE 23 HB ILE 23 -11.183 -1.360 6.297 153 1HG1 ILE 23 1HG1 ILE 23 -8.604 -2.807 5.607 154 2HG1 ILE 23 2HG1 ILE 23 -10.118 -3.584 6.071 155 1HG2 ILE 23 1HG2 ILE 23 -10.022 -0.155 4.720 156 2HG2 ILE 23 2HG2 ILE 23 -9.810 0.695 6.227 157 3HG2 ILE 23 3HG2 ILE 23 -8.471 -0.277 5.536 158 1HD1 ILE 23 1HD1 ILE 23 -9.616 -2.023 3.547 159 2HD1 ILE 23 2HD1 ILE 23 -9.936 -3.755 3.749 160 3HD1 ILE 23 3HD1 ILE 23 -11.217 -2.577 4.102 161 HA PRO 24 HA PRO 24 -8.635 -5.173 9.764 162 1HB PRO 24 1HB PRO 24 -10.674 -6.992 9.566 163 2HB PRO 24 2HB PRO 24 -10.680 -5.682 10.796 164 1HG PRO 24 1HG PRO 24 -12.056 -5.816 8.111 165 2HG PRO 24 2HG PRO 24 -12.754 -5.275 9.673 166 1HD PRO 24 1HD PRO 24 -11.808 -3.543 7.762 167 2HD PRO 24 2HD PRO 24 -11.723 -3.191 9.510 168 H ARG 25 H ARG 25 -7.871 -7.260 9.081 169 HA ARG 25 HA ARG 25 -7.238 -7.624 6.375 170 1HB ARG 25 1HB ARG 25 -6.431 -9.772 6.944 171 2HB ARG 25 2HB ARG 25 -6.164 -8.772 8.364 172 1HG ARG 25 1HG ARG 25 -8.302 -9.779 9.345 173 2HG ARG 25 2HG ARG 25 -8.379 -10.836 7.934 174 1HD ARG 25 1HD ARG 25 -7.402 -12.127 9.655 175 2HD ARG 25 2HD ARG 25 -6.164 -11.766 8.455 176 HE ARG 25 HE ARG 25 -4.927 -11.022 10.110 177 1HH1 ARG 25 2HH1 ARG 25 -8.226 -10.506 11.286 178 2HH1 ARG 25 1HH1 ARG 25 -7.779 -9.577 12.673 179 1HH2 ARG 25 2HH2 ARG 25 -4.286 -10.265 12.130 180 2HH2 ARG 25 1HH2 ARG 25 -5.455 -9.673 13.263 181 H ALA 26 H ALA 26 -10.163 -8.709 8.091 182 HA ALA 26 HA ALA 26 -10.931 -10.543 5.987 183 1HB ALA 26 1HB ALA 26 -12.969 -10.786 7.366 184 2HB ALA 26 2HB ALA 26 -11.471 -11.014 8.296 185 3HB ALA 26 3HB ALA 26 -12.379 -9.491 8.433 186 H GLU 27 H GLU 27 -10.989 -7.179 5.987 187 HA GLU 27 HA GLU 27 -13.386 -7.086 4.199 188 1HB GLU 27 1HB GLU 27 -11.759 -5.066 5.745 189 2HB GLU 27 2HB GLU 27 -12.741 -4.556 4.352 190 1HG GLU 27 1HG GLU 27 -13.871 -6.193 6.661 191 2HG GLU 27 2HG GLU 27 -13.793 -4.438 6.710 192 H VAL 28 H VAL 28 -9.878 -6.817 4.300 193 HA VAL 28 HA VAL 28 -9.202 -5.651 1.940 194 HB VAL 28 HB VAL 28 -7.938 -8.135 3.163 195 1HG1 VAL 28 1HG1 VAL 28 -5.899 -7.528 1.999 196 2HG1 VAL 28 2HG1 VAL 28 -7.187 -7.841 0.860 197 3HG1 VAL 28 3HG1 VAL 28 -6.736 -6.156 1.205 198 1HG2 VAL 28 1HG2 VAL 28 -8.018 -6.161 4.700 199 2HG2 VAL 28 2HG2 VAL 28 -6.371 -6.582 4.222 200 3HG2 VAL 28 3HG2 VAL 28 -7.193 -5.190 3.471 201 H ALA 29 H ALA 29 -9.768 -9.252 2.095 202 HA ALA 29 HA ALA 29 -9.339 -9.514 -0.690 203 1HB ALA 29 1HB ALA 29 -9.635 -11.264 1.405 204 2HB ALA 29 2HB ALA 29 -11.071 -11.578 0.431 205 3HB ALA 29 3HB ALA 29 -9.458 -11.680 -0.337 206 H GLU 30 H GLU 30 -12.135 -8.393 0.900 207 HA GLU 30 HA GLU 30 -14.084 -9.030 -1.189 208 1HB GLU 30 1HB GLU 30 -15.042 -8.830 0.909 209 2HB GLU 30 2HB GLU 30 -14.012 -7.552 1.427 210 1HG GLU 30 1HG GLU 30 -16.034 -6.507 1.318 211 2HG GLU 30 2HG GLU 30 -15.267 -5.966 -0.162 212 H LEU 31 H LEU 31 -11.727 -6.461 -0.419 213 HA LEU 31 HA LEU 31 -12.854 -4.612 -2.408 214 1HB LEU 31 1HB LEU 31 -10.279 -4.449 -0.783 215 2HB LEU 31 2HB LEU 31 -11.041 -3.148 -1.667 216 HG LEU 31 HG LEU 31 -12.339 -4.541 0.769 217 1HD1 LEU 31 1HD1 LEU 31 -10.432 -3.425 1.506 218 2HD1 LEU 31 2HD1 LEU 31 -11.820 -2.392 1.900 219 3HD1 LEU 31 3HD1 LEU 31 -10.775 -1.978 0.525 220 1HD2 LEU 31 1HD2 LEU 31 -13.035 -1.946 -0.703 221 2HD2 LEU 31 2HD2 LEU 31 -13.836 -2.576 0.749 222 3HD2 LEU 31 3HD2 LEU 31 -13.989 -3.459 -0.783 223 H LEU 32 H LEU 32 -10.001 -6.661 -1.878 224 HA LEU 32 HA LEU 32 -8.765 -5.905 -4.414 225 1HB LEU 32 1HB LEU 32 -7.912 -8.303 -2.758 226 2HB LEU 32 2HB LEU 32 -6.981 -7.301 -3.827 227 HG LEU 32 HG LEU 32 -7.862 -6.607 -1.021 228 1HD1 LEU 32 1HD1 LEU 32 -5.201 -6.979 -2.287 229 2HD1 LEU 32 2HD1 LEU 32 -5.984 -8.090 -1.146 230 3HD1 LEU 32 3HD1 LEU 32 -5.436 -6.475 -0.622 231 1HD2 LEU 32 1HD2 LEU 32 -6.559 -4.769 -3.024 232 2HD2 LEU 32 2HD2 LEU 32 -6.489 -4.519 -1.277 233 3HD2 LEU 32 3HD2 LEU 32 -8.061 -4.539 -2.089 234 H VAL 33 H VAL 33 -9.158 -6.981 -6.297 235 HA VAL 33 HA VAL 33 -10.636 -9.573 -6.209 236 HB VAL 33 HB VAL 33 -10.950 -7.033 -7.888 237 1HG1 VAL 33 1HG1 VAL 33 -12.345 -9.659 -8.410 238 2HG1 VAL 33 2HG1 VAL 33 -12.761 -8.099 -9.150 239 3HG1 VAL 33 3HG1 VAL 33 -11.190 -8.827 -9.484 240 1HG2 VAL 33 1HG2 VAL 33 -12.112 -6.963 -5.743 241 2HG2 VAL 33 2HG2 VAL 33 -13.303 -7.119 -7.038 242 3HG2 VAL 33 3HG2 VAL 33 -12.870 -8.534 -6.054 243 H HIS 34 H HIS 34 -8.273 -7.541 -7.975 244 HA HIS 34 HA HIS 34 -7.590 -9.908 -9.643 245 1HB HIS 34 1HB HIS 34 -6.549 -7.122 -9.931 246 2HB HIS 34 2HB HIS 34 -6.572 -8.407 -11.128 247 HD1 HIS 34 HD1 HIS 34 -9.036 -8.799 -12.374 248 HD2 HIS 34 HD2 HIS 34 -8.789 -5.659 -9.578 249 HE1 HIS 34 HE1 HIS 34 -11.043 -7.274 -12.798 250 H SER 35 H SER 35 -5.295 -10.402 -9.938 251 HA SER 35 HA SER 35 -3.924 -10.428 -7.400 252 1HB SER 35 1HB SER 35 -2.674 -11.323 -10.008 253 2HB SER 35 2HB SER 35 -2.467 -11.952 -8.375 254 HG SER 35 HG SER 35 -4.607 -12.843 -8.547 255 H GLY 36 H GLY 36 -3.386 -8.298 -6.914 256 1HA GLY 36 1HA GLY 36 -1.138 -6.958 -7.562 257 2HA GLY 36 2HA GLY 36 -2.153 -6.531 -8.940 258 H ASP 37 H ASP 37 -4.577 -6.778 -7.095 259 HA ASP 37 HA ASP 37 -4.928 -4.013 -6.560 260 1HB ASP 37 1HB ASP 37 -6.324 -6.550 -5.719 261 2HB ASP 37 2HB ASP 37 -6.883 -4.969 -5.178 262 H PHE 38 H PHE 38 -4.176 -2.846 -4.837 263 HA PHE 38 HA PHE 38 -3.705 -4.182 -2.265 264 1HB PHE 38 1HB PHE 38 -1.676 -2.861 -1.845 265 2HB PHE 38 2HB PHE 38 -1.417 -3.828 -3.282 266 HD1 PHE 38 HD1 PHE 38 -0.933 -2.900 -5.398 267 HD2 PHE 38 HD2 PHE 38 -2.137 -0.345 -2.121 268 HE1 PHE 38 HE1 PHE 38 -0.557 -0.912 -6.797 269 HE2 PHE 38 HE2 PHE 38 -1.696 1.646 -3.519 270 HZ PHE 38 HZ PHE 38 -0.991 1.363 -5.891 271 H LEU 39 H LEU 39 -3.760 -2.764 -0.473 272 HA LEU 39 HA LEU 39 -4.771 -0.037 -0.796 273 1HB LEU 39 1HB LEU 39 -6.645 -0.245 0.482 274 2HB LEU 39 2HB LEU 39 -6.759 -1.508 -0.697 275 HG LEU 39 HG LEU 39 -5.703 -2.932 1.458 276 1HD1 LEU 39 1HD1 LEU 39 -7.112 -0.561 2.614 277 2HD1 LEU 39 2HD1 LEU 39 -5.558 -1.309 3.044 278 3HD1 LEU 39 3HD1 LEU 39 -7.087 -2.143 3.397 279 1HD2 LEU 39 1HD2 LEU 39 -7.802 -3.429 0.157 280 2HD2 LEU 39 2HD2 LEU 39 -8.595 -2.134 1.054 281 3HD2 LEU 39 3HD2 LEU 39 -8.037 -3.601 1.901 282 H VAL 40 H VAL 40 -4.364 1.188 1.123 283 HA VAL 40 HA VAL 40 -2.554 -0.053 3.131 284 HB VAL 40 HB VAL 40 -2.852 2.873 2.355 285 1HG1 VAL 40 1HG1 VAL 40 -1.134 1.586 4.517 286 2HG1 VAL 40 2HG1 VAL 40 -0.984 3.268 3.966 287 3HG1 VAL 40 3HG1 VAL 40 -2.464 2.743 4.766 288 1HG2 VAL 40 1HG2 VAL 40 -1.461 1.581 0.739 289 2HG2 VAL 40 2HG2 VAL 40 -0.429 2.639 1.705 290 3HG2 VAL 40 3HG2 VAL 40 -0.522 0.914 2.088 291 H ARG 41 H ARG 41 -3.300 -0.108 5.141 292 HA ARG 41 HA ARG 41 -5.836 1.211 5.812 293 1HB ARG 41 1HB ARG 41 -6.655 -0.853 6.842 294 2HB ARG 41 2HB ARG 41 -6.367 -1.054 5.104 295 1HG ARG 41 1HG ARG 41 -4.120 -2.103 5.780 296 2HG ARG 41 2HG ARG 41 -4.799 -2.225 7.417 297 1HD ARG 41 1HD ARG 41 -6.789 -3.423 6.364 298 2HD ARG 41 2HD ARG 41 -5.958 -3.346 4.814 299 HE ARG 41 HE ARG 41 -4.568 -5.008 5.408 300 1HH1 ARG 41 2HH1 ARG 41 -6.369 -4.030 8.333 301 2HH1 ARG 41 1HH1 ARG 41 -5.971 -5.480 9.203 302 1HH2 ARG 41 2HH2 ARG 41 -4.143 -6.903 6.511 303 2HH2 ARG 41 1HH2 ARG 41 -4.463 -7.044 8.225 304 H GLU 42 H GLU 42 -5.989 1.291 8.260 305 HA GLU 42 HA GLU 42 -3.365 1.268 9.621 306 1HB GLU 42 1HB GLU 42 -4.902 3.181 9.822 307 2HB GLU 42 2HB GLU 42 -6.056 2.195 10.675 308 1HG GLU 42 1HG GLU 42 -3.201 2.213 11.668 309 2HG GLU 42 2HG GLU 42 -4.048 3.740 11.795 310 H SER 43 H SER 43 -3.155 0.236 11.713 311 HA SER 43 HA SER 43 -4.010 -2.489 11.831 312 1HB SER 43 1HB SER 43 -1.879 -1.403 12.760 313 2HB SER 43 2HB SER 43 -2.897 -0.740 14.051 314 HG SER 43 HG SER 43 -3.020 -2.676 14.941 315 H GLN 44 H GLN 44 -4.938 -3.103 14.227 316 HA GLN 44 HA GLN 44 -7.566 -1.830 14.373 317 1HB GLN 44 1HB GLN 44 -8.069 -3.512 16.103 318 2HB GLN 44 2HB GLN 44 -7.574 -4.178 14.553 319 1HG GLN 44 1HG GLN 44 -5.295 -4.618 15.553 320 2HG GLN 44 2HG GLN 44 -6.002 -4.218 17.135 321 1HE2 GLN 44 2HE2 GLN 44 -7.810 -5.687 17.932 322 2HE2 GLN 44 1HE2 GLN 44 -8.001 -7.254 17.152 323 H GLY 45 H GLY 45 -5.903 0.198 14.782 324 1HA GLY 45 1HA GLY 45 -5.393 1.854 16.261 325 2HA GLY 45 2HA GLY 45 -6.207 0.962 17.539 326 H LYS 46 H LYS 46 -3.213 1.084 15.620 327 HA LYS 46 HA LYS 46 -1.683 0.653 18.086 328 1HB LYS 46 1HB LYS 46 -1.217 -0.727 15.424 329 2HB LYS 46 2HB LYS 46 0.178 -0.287 16.377 330 1HG LYS 46 1HG LYS 46 -2.073 -1.758 17.735 331 2HG LYS 46 2HG LYS 46 -0.936 -2.649 16.700 332 1HD LYS 46 1HD LYS 46 0.933 -1.752 18.027 333 2HD LYS 46 2HD LYS 46 -0.226 -0.841 19.025 334 1HE LYS 46 1HE LYS 46 -1.226 -2.929 19.831 335 2HE LYS 46 2HE LYS 46 -0.291 -3.873 18.666 336 1HZ LYS 46 1HZ LYS 46 0.811 -2.444 21.004 337 2HZ LYS 46 2HZ LYS 46 1.734 -3.265 19.886 338 3HZ LYS 46 3HZ LYS 46 0.654 -4.048 20.818 339 H GLN 47 H GLN 47 -2.536 2.540 15.589 340 HA GLN 47 HA GLN 47 -1.765 4.339 14.510 341 1HB GLN 47 1HB GLN 47 0.217 4.758 16.782 342 2HB GLN 47 2HB GLN 47 -0.334 5.941 15.591 343 1HG GLN 47 1HG GLN 47 -2.675 5.697 16.473 344 2HG GLN 47 2HG GLN 47 -2.083 4.582 17.707 345 1HE2 GLN 47 2HE2 GLN 47 -2.047 7.934 16.600 346 2HE2 GLN 47 1HE2 GLN 47 -1.464 8.637 18.083 347 H GLU 48 H GLU 48 -0.990 1.811 13.606 348 HA GLU 48 HA GLU 48 1.493 2.502 12.249 349 1HB GLU 48 1HB GLU 48 2.314 0.972 13.816 350 2HB GLU 48 2HB GLU 48 0.856 -0.037 13.793 351 1HG GLU 48 1HG GLU 48 1.363 -0.932 11.650 352 2HG GLU 48 2HG GLU 48 2.626 0.289 11.345 353 H TYR 49 H TYR 49 1.241 2.052 10.081 354 HA TYR 49 HA TYR 49 -1.417 1.158 9.184 355 1HB TYR 49 1HB TYR 49 0.944 2.339 7.707 356 2HB TYR 49 2HB TYR 49 -0.572 1.835 6.943 357 HD1 TYR 49 HD1 TYR 49 -2.763 2.806 8.187 358 HD2 TYR 49 HD2 TYR 49 1.140 4.641 8.027 359 HE1 TYR 49 HE1 TYR 49 -3.785 5.008 8.677 360 HE2 TYR 49 HE2 TYR 49 0.125 6.844 8.351 361 HH TYR 49 HH TYR 49 -3.429 7.255 8.597 362 H VAL 50 H VAL 50 -1.578 -0.275 7.379 363 HA VAL 50 HA VAL 50 0.362 -2.480 7.279 364 HB VAL 50 HB VAL 50 -2.654 -2.797 7.343 365 1HG1 VAL 50 1HG1 VAL 50 -0.380 -4.775 7.788 366 2HG1 VAL 50 2HG1 VAL 50 -2.111 -5.151 7.940 367 3HG1 VAL 50 3HG1 VAL 50 -1.438 -4.682 6.377 368 1HG2 VAL 50 1HG2 VAL 50 -2.266 -3.677 9.750 369 2HG2 VAL 50 2HG2 VAL 50 -0.813 -2.639 9.675 370 3HG2 VAL 50 3HG2 VAL 50 -2.405 -1.934 9.451 371 H LEU 51 H LEU 51 0.581 -3.116 5.318 372 HA LEU 51 HA LEU 51 -0.894 -1.922 3.001 373 1HB LEU 51 1HB LEU 51 1.673 -1.930 3.108 374 2HB LEU 51 2HB LEU 51 1.608 -3.674 3.041 375 HG LEU 51 HG LEU 51 0.622 -3.590 0.791 376 1HD1 LEU 51 1HD1 LEU 51 0.854 -0.549 1.041 377 2HD1 LEU 51 2HD1 LEU 51 -0.668 -1.453 0.876 378 3HD1 LEU 51 3HD1 LEU 51 0.488 -1.431 -0.454 379 1HD2 LEU 51 1HD2 LEU 51 2.995 -1.685 1.077 380 2HD2 LEU 51 2HD2 LEU 51 2.601 -2.695 -0.329 381 3HD2 LEU 51 3HD2 LEU 51 3.112 -3.438 1.214 382 H SER 52 H SER 52 -2.238 -3.416 1.752 383 HA SER 52 HA SER 52 -1.776 -6.264 2.260 384 1HB SER 52 1HB SER 52 -4.503 -4.991 2.750 385 2HB SER 52 2HB SER 52 -4.133 -6.733 2.741 386 HG SER 52 HG SER 52 -2.364 -5.466 4.265 387 H VAL 53 H VAL 53 -2.105 -7.507 0.509 388 HA VAL 53 HA VAL 53 -3.051 -6.271 -1.965 389 HB VAL 53 HB VAL 53 -0.820 -5.432 -1.674 390 1HG1 VAL 53 1HG1 VAL 53 1.161 -6.853 -1.491 391 2HG1 VAL 53 2HG1 VAL 53 0.140 -6.983 -0.057 392 3HG1 VAL 53 3HG1 VAL 53 0.144 -8.285 -1.278 393 1HG2 VAL 53 1HG2 VAL 53 0.305 -6.241 -3.630 394 2HG2 VAL 53 2HG2 VAL 53 -0.673 -7.729 -3.666 395 3HG2 VAL 53 3HG2 VAL 53 -1.427 -6.148 -3.965 396 H LEU 54 H LEU 54 -3.727 -7.826 -3.473 397 HA LEU 54 HA LEU 54 -4.022 -10.546 -2.388 398 1HB LEU 54 1HB LEU 54 -5.943 -9.221 -3.174 399 2HB LEU 54 2HB LEU 54 -5.282 -9.184 -4.800 400 HG LEU 54 HG LEU 54 -5.607 -11.627 -4.933 401 1HD1 LEU 54 1HD1 LEU 54 -6.881 -12.854 -3.215 402 2HD1 LEU 54 2HD1 LEU 54 -6.755 -11.448 -2.147 403 3HD1 LEU 54 3HD1 LEU 54 -5.293 -12.350 -2.652 404 1HD2 LEU 54 1HD2 LEU 54 -7.915 -11.747 -5.142 405 2HD2 LEU 54 2HD2 LEU 54 -7.388 -10.131 -5.632 406 3HD2 LEU 54 3HD2 LEU 54 -8.158 -10.377 -4.039 407 H TRP 55 H TRP 55 -2.302 -11.880 -2.787 408 HA TRP 55 HA TRP 55 -1.190 -11.859 -5.538 409 1HB TRP 55 1HB TRP 55 0.079 -10.569 -3.630 410 2HB TRP 55 2HB TRP 55 0.540 -12.159 -3.067 411 HD1 TRP 55 HD1 TRP 55 2.715 -13.035 -4.156 412 HE1 TRP 55 HE1 TRP 55 4.130 -12.428 -6.207 413 HE3 TRP 55 HE3 TRP 55 -0.406 -9.587 -6.304 414 HZ2 TRP 55 HZ2 TRP 55 4.139 -10.322 -8.209 415 HZ3 TRP 55 HZ3 TRP 55 0.352 -8.302 -8.314 416 HH2 TRP 55 HH2 TRP 55 2.596 -8.609 -9.216 417 H ASP 56 H ASP 56 -1.087 -13.841 -6.388 418 HA ASP 56 HA ASP 56 -1.583 -16.026 -6.708 419 1HB ASP 56 1HB ASP 56 0.732 -15.909 -5.690 420 2HB ASP 56 2HB ASP 56 0.019 -16.553 -4.213 421 H GLY 57 H GLY 57 -3.729 -14.721 -5.453 422 1HA GLY 57 1HA GLY 57 -5.784 -15.339 -4.705 423 2HA GLY 57 2HA GLY 57 -5.190 -16.984 -4.459 424 H LEU 58 H LEU 58 -3.213 -14.732 -2.788 425 HA LEU 58 HA LEU 58 -4.755 -15.163 -0.263 426 1HB LEU 58 1HB LEU 58 -2.813 -16.637 -0.535 427 2HB LEU 58 2HB LEU 58 -1.767 -15.228 -0.568 428 HG LEU 58 HG LEU 58 -3.466 -16.248 1.750 429 1HD1 LEU 58 1HD1 LEU 58 -1.280 -16.545 2.846 430 2HD1 LEU 58 2HD1 LEU 58 -0.449 -15.959 1.389 431 3HD1 LEU 58 3HD1 LEU 58 -1.378 -17.473 1.360 432 1HD2 LEU 58 1HD2 LEU 58 -1.974 -13.633 1.510 433 2HD2 LEU 58 2HD2 LEU 58 -2.158 -14.438 3.076 434 3HD2 LEU 58 3HD2 LEU 58 -3.588 -13.955 2.180 435 HA PRO 59 HA PRO 59 -4.286 -10.577 -0.395 436 1HB PRO 59 1HB PRO 59 -6.040 -10.022 1.604 437 2HB PRO 59 2HB PRO 59 -6.556 -10.419 -0.062 438 1HG PRO 59 1HG PRO 59 -6.382 -12.272 2.332 439 2HG PRO 59 2HG PRO 59 -7.711 -12.096 1.135 440 1HD PRO 59 1HD PRO 59 -5.847 -14.055 1.055 441 2HD PRO 59 2HD PRO 59 -6.584 -13.381 -0.432 442 H ARG 60 H ARG 60 -2.109 -10.711 0.250 443 HA ARG 60 HA ARG 60 -1.194 -11.507 2.829 444 1HB ARG 60 1HB ARG 60 -0.087 -9.436 0.868 445 2HB ARG 60 2HB ARG 60 0.816 -10.160 2.189 446 1HG ARG 60 1HG ARG 60 -0.331 -11.744 -0.160 447 2HG ARG 60 2HG ARG 60 1.299 -11.114 -0.094 448 1HD ARG 60 1HD ARG 60 1.432 -12.321 2.229 449 2HD ARG 60 2HD ARG 60 0.041 -13.240 1.700 450 HE ARG 60 HE ARG 60 2.713 -13.728 1.116 451 1HH1 ARG 60 2HH1 ARG 60 -0.300 -13.541 -0.837 452 2HH1 ARG 60 1HH1 ARG 60 0.264 -14.586 -2.052 453 1HH2 ARG 60 2HH2 ARG 60 3.371 -15.297 -0.407 454 2HH2 ARG 60 1HH2 ARG 60 2.466 -15.473 -1.891 455 H HIS 61 H HIS 61 -0.392 -10.148 4.523 456 HA HIS 61 HA HIS 61 -1.260 -7.342 4.552 457 1HB HIS 61 1HB HIS 61 -1.933 -7.517 6.913 458 2HB HIS 61 2HB HIS 61 -2.982 -8.454 5.846 459 HD1 HIS 61 HD1 HIS 61 -0.843 -8.855 8.887 460 HD2 HIS 61 HD2 HIS 61 -2.526 -11.209 5.824 461 HE1 HIS 61 HE1 HIS 61 -0.572 -11.313 9.617 462 H PHE 62 H PHE 62 0.645 -6.337 4.470 463 HA PHE 62 HA PHE 62 2.937 -7.370 6.094 464 1HB PHE 62 1HB PHE 62 2.983 -5.511 3.670 465 2HB PHE 62 2HB PHE 62 4.368 -6.195 4.509 466 HD1 PHE 62 HD1 PHE 62 2.214 -6.559 1.689 467 HD2 PHE 62 HD2 PHE 62 4.363 -8.889 4.618 468 HE1 PHE 62 HE1 PHE 62 2.271 -8.474 0.141 469 HE2 PHE 62 HE2 PHE 62 4.385 -10.807 3.078 470 HZ PHE 62 HZ PHE 62 3.399 -10.607 0.802 471 H ILE 63 H ILE 63 3.593 -5.966 7.694 472 HA ILE 63 HA ILE 63 1.992 -3.595 8.185 473 HB ILE 63 HB ILE 63 4.423 -4.909 9.407 474 1HG1 ILE 63 1HG1 ILE 63 2.230 -5.948 9.823 475 2HG1 ILE 63 2HG1 ILE 63 2.929 -5.314 11.275 476 1HG2 ILE 63 1HG2 ILE 63 3.290 -2.215 10.134 477 2HG2 ILE 63 2HG2 ILE 63 4.294 -3.220 11.234 478 3HG2 ILE 63 3HG2 ILE 63 4.957 -2.655 9.700 479 1HD1 ILE 63 1HD1 ILE 63 0.643 -4.119 9.686 480 2HD1 ILE 63 2HD1 ILE 63 0.551 -4.841 11.271 481 3HD1 ILE 63 3HD1 ILE 63 1.367 -3.279 11.078 482 H ILE 64 H ILE 64 2.366 -1.509 7.635 483 HA ILE 64 HA ILE 64 4.112 -0.949 5.507 484 HB ILE 64 HB ILE 64 2.651 0.815 7.485 485 1HG1 ILE 64 1HG1 ILE 64 1.331 -0.465 5.786 486 2HG1 ILE 64 2HG1 ILE 64 1.127 1.276 5.708 487 1HG2 ILE 64 1HG2 ILE 64 3.058 2.726 5.946 488 2HG2 ILE 64 2HG2 ILE 64 4.442 2.241 6.905 489 3HG2 ILE 64 3HG2 ILE 64 4.358 1.794 5.183 490 1HD1 ILE 64 1HD1 ILE 64 1.226 0.266 3.509 491 2HD1 ILE 64 2HD1 ILE 64 2.493 1.471 3.756 492 3HD1 ILE 64 3HD1 ILE 64 2.894 -0.267 3.831 493 H GLN 65 H GLN 65 5.850 0.140 5.411 494 HA GLN 65 HA GLN 65 7.966 -0.668 7.049 495 1HB GLN 65 1HB GLN 65 8.065 1.725 5.155 496 2HB GLN 65 2HB GLN 65 9.337 0.606 5.493 497 1HG GLN 65 1HG GLN 65 8.617 -0.082 3.360 498 2HG GLN 65 2HG GLN 65 7.707 -1.157 4.403 499 1HE2 GLN 65 2HE2 GLN 65 7.603 1.919 2.500 500 2HE2 GLN 65 1HE2 GLN 65 5.882 1.778 2.143 501 H SER 66 H SER 66 9.606 0.839 8.099 502 HA SER 66 HA SER 66 8.940 3.509 8.843 503 1HB SER 66 1HB SER 66 7.237 2.693 10.290 504 2HB SER 66 2HB SER 66 8.178 1.241 10.652 505 HG SER 66 HG SER 66 8.499 3.887 11.649 506 H LEU 67 H LEU 67 10.988 4.117 8.629 507 HA LEU 67 HA LEU 67 12.794 2.998 10.623 508 1HB LEU 67 1HB LEU 67 14.750 3.815 9.483 509 2HB LEU 67 2HB LEU 67 14.003 2.515 8.597 510 HG LEU 67 HG LEU 67 13.236 5.336 7.797 511 1HD1 LEU 67 1HD1 LEU 67 15.918 4.020 7.197 512 2HD1 LEU 67 2HD1 LEU 67 15.660 5.544 8.064 513 3HD1 LEU 67 3HD1 LEU 67 15.281 5.415 6.335 514 1HD2 LEU 67 1HD2 LEU 67 13.311 4.264 5.514 515 2HD2 LEU 67 2HD2 LEU 67 12.240 3.373 6.606 516 3HD2 LEU 67 3HD2 LEU 67 13.890 2.794 6.294 517 H ASP 68 H ASP 68 14.331 5.594 10.158 518 HA ASP 68 HA ASP 68 13.269 6.615 12.478 519 1HB ASP 68 1HB ASP 68 15.101 7.707 10.344 520 2HB ASP 68 2HB ASP 68 14.690 8.713 11.727 521 H ASN 69 H ASN 69 13.067 8.136 9.270 522 HA ASN 69 HA ASN 69 10.527 9.415 9.969 523 1HB ASN 69 1HB ASN 69 12.493 10.948 10.481 524 2HB ASN 69 2HB ASN 69 12.967 10.831 8.788 525 1HD2 ASN 69 2HD2 ASN 69 9.717 11.364 10.424 526 2HD2 ASN 69 1HD2 ASN 69 9.414 12.823 9.509 527 H LEU 70 H LEU 70 11.748 7.250 8.123 528 HA LEU 70 HA LEU 70 10.442 8.087 5.604 529 1HB LEU 70 1HB LEU 70 12.981 6.453 5.709 530 2HB LEU 70 2HB LEU 70 12.234 7.120 4.303 531 HG LEU 70 HG LEU 70 13.150 9.161 6.309 532 1HD1 LEU 70 1HD1 LEU 70 15.112 7.377 4.867 533 2HD1 LEU 70 2HD1 LEU 70 14.926 7.639 6.634 534 3HD1 LEU 70 3HD1 LEU 70 15.492 8.954 5.583 535 1HD2 LEU 70 1HD2 LEU 70 13.894 10.309 4.304 536 2HD2 LEU 70 2HD2 LEU 70 12.210 9.789 4.161 537 3HD2 LEU 70 3HD2 LEU 70 13.500 8.892 3.306 538 H TYR 71 H TYR 71 10.195 6.085 4.220 539 HA TYR 71 HA TYR 71 9.445 3.612 5.756 540 1HB TYR 71 1HB TYR 71 8.033 4.870 3.327 541 2HB TYR 71 2HB TYR 71 7.439 3.557 4.307 542 HD1 TYR 71 HD1 TYR 71 7.710 7.159 3.916 543 HD2 TYR 71 HD2 TYR 71 6.554 4.025 6.611 544 HE1 TYR 71 HE1 TYR 71 6.619 8.821 5.357 545 HE2 TYR 71 HE2 TYR 71 5.479 5.634 8.097 546 HH TYR 71 HH TYR 71 5.746 9.163 7.406 547 H ARG 72 H ARG 72 10.705 1.875 4.838 548 HA ARG 72 HA ARG 72 11.309 1.965 1.931 549 1HB ARG 72 1HB ARG 72 13.504 1.135 2.256 550 2HB ARG 72 2HB ARG 72 13.346 2.670 3.103 551 1HG ARG 72 1HG ARG 72 14.553 1.497 4.584 552 2HG ARG 72 2HG ARG 72 12.915 1.203 5.205 553 1HD ARG 72 1HD ARG 72 13.034 -1.072 4.768 554 2HD ARG 72 2HD ARG 72 13.978 -0.838 3.298 555 HE ARG 72 HE ARG 72 15.856 -1.138 4.455 556 1HH1 ARG 72 2HH1 ARG 72 13.306 -0.337 6.880 557 2HH1 ARG 72 1HH1 ARG 72 14.380 -0.401 8.215 558 1HH2 ARG 72 2HH2 ARG 72 17.226 -1.362 6.332 559 2HH2 ARG 72 1HH2 ARG 72 16.651 -0.843 7.890 560 H LEU 73 H LEU 73 11.085 -0.089 0.942 561 HA LEU 73 HA LEU 73 10.294 -2.295 2.795 562 1HB LEU 73 1HB LEU 73 8.473 -1.162 1.382 563 2HB LEU 73 2HB LEU 73 9.224 -1.929 -0.025 564 HG LEU 73 HG LEU 73 8.802 -4.097 0.676 565 1HD1 LEU 73 1HD1 LEU 73 9.033 -4.066 3.100 566 2HD1 LEU 73 2HD1 LEU 73 7.384 -4.568 2.708 567 3HD1 LEU 73 3HD1 LEU 73 7.667 -2.925 3.262 568 1HD2 LEU 73 1HD2 LEU 73 6.458 -2.206 1.075 569 2HD2 LEU 73 2HD2 LEU 73 6.338 -3.922 0.671 570 3HD2 LEU 73 3HD2 LEU 73 7.149 -2.817 -0.463 571 H GLU 74 H GLU 74 11.849 -1.388 -0.287 572 HA GLU 74 HA GLU 74 13.307 -3.946 -0.191 573 1HB GLU 74 1HB GLU 74 11.661 -3.825 -2.025 574 2HB GLU 74 2HB GLU 74 12.421 -2.367 -2.628 575 1HG GLU 74 1HG GLU 74 13.154 -4.218 -3.969 576 2HG GLU 74 2HG GLU 74 14.529 -3.641 -3.038 577 H GLY 75 H GLY 75 13.649 -0.772 -1.904 578 1HA GLY 75 1HA GLY 75 16.564 -0.863 -1.503 579 2HA GLY 75 2HA GLY 75 15.631 0.022 -2.703 580 H GLU 76 H GLU 76 15.610 2.179 -2.384 581 HA GLU 76 HA GLU 76 16.479 3.445 0.007 582 1HB GLU 76 1HB GLU 76 15.939 5.515 -1.073 583 2HB GLU 76 2HB GLU 76 16.688 4.442 -2.237 584 1HG GLU 76 1HG GLU 76 14.381 3.893 -3.132 585 2HG GLU 76 2HG GLU 76 13.718 5.086 -2.008 586 H GLY 77 H GLY 77 15.246 5.077 1.183 587 1HA GLY 77 1HA GLY 77 12.460 4.254 1.744 588 2HA GLY 77 2HA GLY 77 13.500 5.159 2.861 589 H PHE 78 H PHE 78 10.939 6.040 2.081 590 HA PHE 78 HA PHE 78 11.650 8.552 0.636 591 1HB PHE 78 1HB PHE 78 9.195 6.787 0.284 592 2HB PHE 78 2HB PHE 78 9.094 8.488 0.029 593 HD1 PHE 78 HD1 PHE 78 9.728 9.530 -1.943 594 HD2 PHE 78 HD2 PHE 78 11.133 5.520 -1.188 595 HE1 PHE 78 HE1 PHE 78 10.418 9.298 -4.320 596 HE2 PHE 78 HE2 PHE 78 11.806 5.305 -3.543 597 HZ PHE 78 HZ PHE 78 11.464 7.182 -5.122 598 HA PRO 79 HA PRO 79 9.967 10.508 4.260 599 1HB PRO 79 1HB PRO 79 9.109 12.913 3.275 600 2HB PRO 79 2HB PRO 79 10.844 12.465 3.297 601 1HG PRO 79 1HG PRO 79 8.865 12.094 1.010 602 2HG PRO 79 2HG PRO 79 10.439 12.954 0.944 603 1HD PRO 79 1HD PRO 79 10.247 10.420 0.171 604 2HD PRO 79 2HD PRO 79 11.637 10.924 1.178 605 H SER 80 H SER 80 7.833 9.476 1.710 606 HA SER 80 HA SER 80 5.496 9.766 3.515 607 1HB SER 80 1HB SER 80 5.164 10.241 0.591 608 2HB SER 80 2HB SER 80 4.153 10.772 1.854 609 HG SER 80 HG SER 80 5.272 12.543 1.090 610 H ILE 81 H ILE 81 3.955 8.128 3.123 611 HA ILE 81 HA ILE 81 4.973 5.627 2.024 612 HB ILE 81 HB ILE 81 2.210 6.442 3.013 613 1HG1 ILE 81 1HG1 ILE 81 4.178 4.460 4.237 614 2HG1 ILE 81 2HG1 ILE 81 4.299 6.173 4.599 615 1HG2 ILE 81 1HG2 ILE 81 1.644 4.026 2.947 616 2HG2 ILE 81 2HG2 ILE 81 1.917 4.677 1.332 617 3HG2 ILE 81 3HG2 ILE 81 3.174 3.697 2.109 618 1HD1 ILE 81 1HD1 ILE 81 3.073 4.967 6.333 619 2HD1 ILE 81 2HD1 ILE 81 2.124 6.251 5.598 620 3HD1 ILE 81 3HD1 ILE 81 1.796 4.555 5.166 621 HA PRO 82 HA PRO 82 1.921 6.632 -1.468 622 1HB PRO 82 1HB PRO 82 1.351 9.278 -2.150 623 2HB PRO 82 2HB PRO 82 0.364 8.284 -1.052 624 1HG PRO 82 1HG PRO 82 2.452 10.295 -0.289 625 2HG PRO 82 2HG PRO 82 0.854 10.032 0.461 626 1HD PRO 82 1HD PRO 82 2.984 9.069 1.584 627 2HD PRO 82 2HD PRO 82 1.508 8.112 1.589 628 H LEU 83 H LEU 83 4.597 8.798 -0.877 629 HA LEU 83 HA LEU 83 5.412 9.164 -3.597 630 1HB LEU 83 1HB LEU 83 6.666 9.572 -0.861 631 2HB LEU 83 2HB LEU 83 7.632 9.621 -2.318 632 HG LEU 83 HG LEU 83 6.279 11.377 -3.280 633 1HD1 LEU 83 1HD1 LEU 83 4.675 12.677 -2.244 634 2HD1 LEU 83 2HD1 LEU 83 4.772 11.825 -0.724 635 3HD1 LEU 83 3HD1 LEU 83 4.122 11.016 -2.158 636 1HD2 LEU 83 1HD2 LEU 83 7.086 13.200 -1.852 637 2HD2 LEU 83 2HD2 LEU 83 8.303 11.927 -2.003 638 3HD2 LEU 83 3HD2 LEU 83 7.326 12.058 -0.521 639 H LEU 84 H LEU 84 6.068 6.706 -1.102 640 HA LEU 84 HA LEU 84 8.129 5.450 -2.667 641 1HB LEU 84 1HB LEU 84 7.380 5.380 -0.016 642 2HB LEU 84 2HB LEU 84 6.578 3.931 -0.575 643 HG LEU 84 HG LEU 84 9.461 4.576 -0.243 644 1HD1 LEU 84 1HD1 LEU 84 9.538 2.352 0.730 645 2HD1 LEU 84 2HD1 LEU 84 7.874 2.036 0.203 646 3HD1 LEU 84 3HD1 LEU 84 8.210 3.321 1.403 647 1HD2 LEU 84 1HD2 LEU 84 8.746 2.289 -2.101 648 2HD2 LEU 84 2HD2 LEU 84 10.360 2.794 -1.562 649 3HD2 LEU 84 3HD2 LEU 84 9.464 3.818 -2.649 650 H ILE 85 H ILE 85 4.657 5.078 -2.354 651 HA ILE 85 HA ILE 85 4.335 2.465 -3.449 652 HB ILE 85 HB ILE 85 2.560 4.916 -3.649 653 1HG1 ILE 85 1HG1 ILE 85 2.778 4.097 -1.370 654 2HG1 ILE 85 2HG1 ILE 85 1.161 3.853 -1.979 655 1HG2 ILE 85 1HG2 ILE 85 1.944 3.535 -5.537 656 2HG2 ILE 85 2HG2 ILE 85 1.926 2.080 -4.542 657 3HG2 ILE 85 3HG2 ILE 85 0.706 3.349 -4.290 658 1HD1 ILE 85 1HD1 ILE 85 3.294 1.699 -1.727 659 2HD1 ILE 85 2HD1 ILE 85 1.946 1.966 -0.619 660 3HD1 ILE 85 3HD1 ILE 85 1.620 1.445 -2.281 661 H ASP 86 H ASP 86 4.702 5.623 -5.171 662 HA ASP 86 HA ASP 86 4.233 4.493 -7.714 663 1HB ASP 86 1HB ASP 86 4.308 6.939 -7.167 664 2HB ASP 86 2HB ASP 86 6.066 6.861 -7.102 665 H HIS 87 H HIS 87 7.301 4.903 -5.947 666 HA HIS 87 HA HIS 87 8.884 3.907 -8.115 667 1HB HIS 87 1HB HIS 87 9.794 5.432 -6.477 668 2HB HIS 87 2HB HIS 87 9.579 4.230 -5.184 669 HD1 HIS 87 HD1 HIS 87 11.927 5.134 -8.081 670 HD2 HIS 87 HD2 HIS 87 11.380 2.198 -5.098 671 HE1 HIS 87 HE1 HIS 87 14.045 3.758 -8.031 672 H LEU 88 H LEU 88 6.812 2.150 -5.885 673 HA LEU 88 HA LEU 88 8.337 -0.347 -6.506 674 1HB LEU 88 1HB LEU 88 5.985 0.259 -4.716 675 2HB LEU 88 2HB LEU 88 6.539 -1.361 -5.114 676 HG LEU 88 HG LEU 88 7.430 0.518 -3.149 677 1HD1 LEU 88 1HD1 LEU 88 8.253 -2.346 -3.794 678 2HD1 LEU 88 2HD1 LEU 88 6.886 -1.846 -2.779 679 3HD1 LEU 88 3HD1 LEU 88 8.549 -1.546 -2.229 680 1HD2 LEU 88 1HD2 LEU 88 9.885 0.140 -3.129 681 2HD2 LEU 88 2HD2 LEU 88 9.309 1.289 -4.321 682 3HD2 LEU 88 3HD2 LEU 88 9.783 -0.343 -4.820 683 H LEU 89 H LEU 89 5.378 1.441 -7.185 684 HA LEU 89 HA LEU 89 3.998 -0.714 -8.499 685 1HB LEU 89 1HB LEU 89 3.225 1.470 -7.298 686 2HB LEU 89 2HB LEU 89 3.356 2.217 -8.886 687 HG LEU 89 HG LEU 89 1.827 -0.360 -8.397 688 1HD1 LEU 89 1HD1 LEU 89 1.044 1.092 -6.710 689 2HD1 LEU 89 2HD1 LEU 89 -0.198 0.964 -7.968 690 3HD1 LEU 89 3HD1 LEU 89 0.806 2.429 -7.871 691 1HD2 LEU 89 1HD2 LEU 89 0.373 0.344 -10.143 692 2HD2 LEU 89 2HD2 LEU 89 2.045 0.243 -10.724 693 3HD2 LEU 89 3HD2 LEU 89 1.314 1.841 -10.394 694 H SER 90 H SER 90 5.978 1.999 -9.653 695 HA SER 90 HA SER 90 5.296 1.407 -12.397 696 1HB SER 90 1HB SER 90 5.765 3.699 -11.502 697 2HB SER 90 2HB SER 90 7.449 3.234 -11.210 698 HG SER 90 HG SER 90 6.062 3.374 -13.686 699 H THR 91 H THR 91 7.834 0.497 -10.132 700 HA THR 91 HA THR 91 9.774 -0.302 -12.179 701 HB THR 91 HB THR 91 11.190 -0.697 -10.182 702 HG1 THR 91 HG1 THR 91 9.814 0.249 -8.217 703 1HG2 THR 91 1HG2 THR 91 11.299 1.598 -9.272 704 2HG2 THR 91 2HG2 THR 91 9.701 1.978 -9.891 705 3HG2 THR 91 3HG2 THR 91 11.040 1.646 -11.028 706 H GLN 92 H GLN 92 7.581 -1.676 -9.814 707 HA GLN 92 HA GLN 92 6.722 -3.678 -9.443 708 1HB GLN 92 1HB GLN 92 8.364 -4.907 -11.682 709 2HB GLN 92 2HB GLN 92 7.047 -5.648 -10.841 710 1HG GLN 92 1HG GLN 92 6.689 -3.103 -12.486 711 2HG GLN 92 2HG GLN 92 6.509 -4.734 -13.141 712 1HE2 GLN 92 2HE2 GLN 92 5.081 -2.330 -10.907 713 2HE2 GLN 92 1HE2 GLN 92 3.688 -3.221 -10.497 714 H GLN 93 H GLN 93 8.242 -2.838 -7.677 715 HA GLN 93 HA GLN 93 10.526 -4.652 -7.233 716 1HB GLN 93 1HB GLN 93 9.637 -2.062 -6.108 717 2HB GLN 93 2HB GLN 93 10.472 -3.136 -4.972 718 1HG GLN 93 1HG GLN 93 12.401 -3.302 -6.374 719 2HG GLN 93 2HG GLN 93 11.553 -2.545 -7.730 720 1HE2 GLN 93 2HE2 GLN 93 12.213 -0.619 -8.087 721 2HE2 GLN 93 1HE2 GLN 93 12.594 0.683 -6.950 722 HA PRO 94 HA PRO 94 8.120 -7.431 -4.732 723 1HB PRO 94 1HB PRO 94 10.098 -8.736 -3.398 724 2HB PRO 94 2HB PRO 94 9.819 -8.907 -5.146 725 1HG PRO 94 1HG PRO 94 11.860 -7.141 -3.762 726 2HG PRO 94 2HG PRO 94 12.093 -8.244 -5.157 727 1HD PRO 94 1HD PRO 94 11.684 -5.540 -5.504 728 2HD PRO 94 2HD PRO 94 11.032 -6.767 -6.624 729 H LEU 95 H LEU 95 7.069 -7.235 -2.983 730 HA LEU 95 HA LEU 95 7.667 -5.218 -1.025 731 1HB LEU 95 1HB LEU 95 5.562 -7.384 -0.866 732 2HB LEU 95 2HB LEU 95 5.704 -5.880 0.130 733 HG LEU 95 HG LEU 95 4.918 -6.178 -2.719 734 1HD1 LEU 95 1HD1 LEU 95 2.886 -5.056 -1.978 735 2HD1 LEU 95 2HD1 LEU 95 3.627 -4.782 -0.386 736 3HD1 LEU 95 3HD1 LEU 95 3.237 -6.409 -0.891 737 1HD2 LEU 95 1HD2 LEU 95 4.914 -3.898 -3.175 738 2HD2 LEU 95 2HD2 LEU 95 6.521 -4.219 -2.572 739 3HD2 LEU 95 3HD2 LEU 95 5.304 -3.451 -1.506 740 H THR 96 H THR 96 8.412 -8.696 -1.020 741 HA THR 96 HA THR 96 9.899 -8.351 1.373 742 HB THR 96 HB THR 96 7.868 -8.755 2.552 743 HG1 THR 96 HG1 THR 96 8.183 -10.632 3.491 744 1HG2 THR 96 1HG2 THR 96 6.400 -10.780 1.998 745 2HG2 THR 96 2HG2 THR 96 7.191 -10.791 0.416 746 3HG2 THR 96 3HG2 THR 96 6.260 -9.373 0.932 747 H LYS 97 H LYS 97 11.448 -9.982 1.452 748 HA LYS 97 HA LYS 97 11.964 -11.442 -0.990 749 1HB LYS 97 1HB LYS 97 13.468 -10.520 1.248 750 2HB LYS 97 2HB LYS 97 13.626 -12.265 1.229 751 1HG LYS 97 1HG LYS 97 15.360 -11.296 -0.153 752 2HG LYS 97 2HG LYS 97 14.229 -12.108 -1.231 753 1HD LYS 97 1HD LYS 97 13.187 -9.927 -1.799 754 2HD LYS 97 2HD LYS 97 14.235 -9.091 -0.640 755 1HE LYS 97 1HE LYS 97 16.159 -9.434 -1.930 756 2HE LYS 97 2HE LYS 97 15.458 -10.847 -2.743 757 1HZ LYS 97 1HZ LYS 97 14.014 -9.407 -3.966 758 2HZ LYS 97 2HZ LYS 97 15.575 -8.938 -4.195 759 3HZ LYS 97 3HZ LYS 97 14.618 -8.052 -3.217 760 H LYS 98 H LYS 98 9.555 -12.063 0.822 761 HA LYS 98 HA LYS 98 9.889 -15.007 0.766 762 1HB LYS 98 1HB LYS 98 8.633 -13.122 2.785 763 2HB LYS 98 2HB LYS 98 8.122 -14.817 2.727 764 1HG LYS 98 1HG LYS 98 11.025 -13.984 3.050 765 2HG LYS 98 2HG LYS 98 9.955 -14.310 4.420 766 1HD LYS 98 1HD LYS 98 9.869 -16.575 4.030 767 2HD LYS 98 2HD LYS 98 10.024 -16.422 2.290 768 1HE LYS 98 1HE LYS 98 12.437 -15.692 2.662 769 2HE LYS 98 2HE LYS 98 12.242 -16.212 4.347 770 1HZ LYS 98 1HZ LYS 98 11.866 -17.906 1.941 771 2HZ LYS 98 2HZ LYS 98 11.608 -18.416 3.476 772 3HZ LYS 98 3HZ LYS 98 13.128 -18.004 3.011 773 H SER 99 H SER 99 8.035 -12.372 -0.423 774 HA SER 99 HA SER 99 6.140 -14.357 -1.549 775 1HB SER 99 1HB SER 99 5.287 -11.701 -0.331 776 2HB SER 99 2HB SER 99 4.263 -12.772 -1.279 777 HG SER 99 HG SER 99 5.403 -13.296 1.284 778 H GLY 100 H GLY 100 8.352 -11.817 -2.191 779 1HA GLY 100 1HA GLY 100 9.010 -10.867 -4.097 780 2HA GLY 100 2HA GLY 100 8.130 -12.132 -4.926 781 H VAL 101 H VAL 101 5.863 -10.435 -3.213 782 HA VAL 101 HA VAL 101 4.524 -9.808 -5.443 783 HB VAL 101 HB VAL 101 3.419 -10.257 -3.648 784 1HG1 VAL 101 1HG1 VAL 101 3.270 -9.937 -1.570 785 2HG1 VAL 101 2HG1 VAL 101 5.016 -9.686 -1.779 786 3HG1 VAL 101 3HG1 VAL 101 3.899 -8.308 -1.621 787 1HG2 VAL 101 1HG2 VAL 101 2.327 -8.323 -4.857 788 2HG2 VAL 101 2HG2 VAL 101 1.734 -8.606 -3.212 789 3HG2 VAL 101 3HG2 VAL 101 2.899 -7.292 -3.520 790 H VAL 102 H VAL 102 4.155 -8.155 -6.862 791 HA VAL 102 HA VAL 102 5.705 -5.679 -6.320 792 HB VAL 102 HB VAL 102 5.976 -5.462 -8.678 793 1HG1 VAL 102 1HG1 VAL 102 7.654 -6.765 -7.335 794 2HG1 VAL 102 2HG1 VAL 102 6.854 -8.258 -7.857 795 3HG1 VAL 102 3HG1 VAL 102 7.632 -7.218 -9.052 796 1HG2 VAL 102 1HG2 VAL 102 4.020 -6.587 -9.563 797 2HG2 VAL 102 2HG2 VAL 102 5.497 -7.179 -10.312 798 3HG2 VAL 102 3HG2 VAL 102 4.720 -8.164 -9.070 799 H LEU 103 H LEU 103 4.557 -3.818 -6.356 800 HA LEU 103 HA LEU 103 1.706 -3.950 -6.004 801 1HB LEU 103 1HB LEU 103 3.295 -1.492 -6.704 802 2HB LEU 103 2HB LEU 103 1.684 -1.533 -6.044 803 HG LEU 103 HG LEU 103 4.265 -2.257 -4.634 804 1HD1 LEU 103 1HD1 LEU 103 3.684 0.166 -4.914 805 2HD1 LEU 103 2HD1 LEU 103 3.724 -0.355 -3.214 806 3HD1 LEU 103 3HD1 LEU 103 2.167 -0.137 -4.046 807 1HD2 LEU 103 1HD2 LEU 103 2.841 -2.614 -2.608 808 2HD2 LEU 103 2HD2 LEU 103 2.471 -3.808 -3.865 809 3HD2 LEU 103 3HD2 LEU 103 1.380 -2.434 -3.599 810 H HIS 104 H HIS 104 0.080 -3.847 -7.481 811 HA HIS 104 HA HIS 104 0.820 -3.105 -10.285 812 1HB HIS 104 1HB HIS 104 -0.118 -5.606 -9.205 813 2HB HIS 104 2HB HIS 104 -1.377 -4.948 -10.248 814 HD1 HIS 104 HD1 HIS 104 1.383 -3.762 -12.162 815 HD2 HIS 104 HD2 HIS 104 -0.105 -7.588 -11.117 816 HE1 HIS 104 HE1 HIS 104 2.165 -5.344 -13.952 817 H ARG 105 H ARG 105 -1.970 -3.265 -7.944 818 HA ARG 105 HA ARG 105 -3.175 -1.076 -9.537 819 1HB ARG 105 1HB ARG 105 -3.983 -3.377 -10.255 820 2HB ARG 105 2HB ARG 105 -4.616 -3.542 -8.624 821 1HG ARG 105 1HG ARG 105 -6.475 -2.847 -9.803 822 2HG ARG 105 2HG ARG 105 -5.969 -1.367 -9.063 823 1HD ARG 105 1HD ARG 105 -5.033 -0.532 -11.080 824 2HD ARG 105 2HD ARG 105 -5.005 -2.129 -11.842 825 HE ARG 105 HE ARG 105 -7.636 -1.868 -11.361 826 1HH1 ARG 105 2HH1 ARG 105 -5.354 0.340 -13.115 827 2HH1 ARG 105 1HH1 ARG 105 -6.674 1.021 -14.000 828 1HH2 ARG 105 2HH2 ARG 105 -9.236 -0.736 -12.470 829 2HH2 ARG 105 1HH2 ARG 105 -8.777 0.172 -13.902 830 H ALA 106 H ALA 106 -4.372 0.306 -8.382 831 HA ALA 106 HA ALA 106 -4.427 0.007 -5.405 832 1HB ALA 106 1HB ALA 106 -3.305 1.987 -6.241 833 2HB ALA 106 2HB ALA 106 -4.687 2.397 -7.276 834 3HB ALA 106 3HB ALA 106 -4.867 2.472 -5.515 835 H VAL 107 H VAL 107 -6.405 -0.243 -4.374 836 HA VAL 107 HA VAL 107 -8.937 -0.212 -5.918 837 HB VAL 107 HB VAL 107 -8.503 -0.478 -2.934 838 1HG1 VAL 107 1HG1 VAL 107 -10.764 -1.407 -4.776 839 2HG1 VAL 107 2HG1 VAL 107 -10.725 -1.514 -3.005 840 3HG1 VAL 107 3HG1 VAL 107 -10.826 0.063 -3.768 841 1HG2 VAL 107 1HG2 VAL 107 -8.841 -2.924 -3.286 842 2HG2 VAL 107 2HG2 VAL 107 -8.455 -2.679 -5.005 843 3HG2 VAL 107 3HG2 VAL 107 -7.258 -2.294 -3.725 844 HA PRO 108 HA PRO 108 -9.111 4.122 -4.681 845 1HB PRO 108 1HB PRO 108 -11.115 4.970 -6.318 846 2HB PRO 108 2HB PRO 108 -9.440 4.684 -6.879 847 1HG PRO 108 1HG PRO 108 -11.877 2.945 -7.260 848 2HG PRO 108 2HG PRO 108 -10.445 3.108 -8.318 849 1HD PRO 108 1HD PRO 108 -10.970 1.069 -6.396 850 2HD PRO 108 2HD PRO 108 -9.479 1.335 -7.338 851 H SER 109 H SER 109 -9.869 4.369 -2.692 852 HA SER 109 HA SER 109 -12.598 3.594 -1.933 853 1HB SER 109 1HB SER 109 -10.376 3.144 -0.677 854 2HB SER 109 2HB SER 109 -10.500 4.806 -0.133 855 HG SER 109 HG SER 109 -12.298 4.329 0.967 856 H GLY 110 H GLY 110 -10.946 6.353 -3.130 857 1HA GLY 110 1HA GLY 110 -12.346 8.196 -3.841 858 2HA GLY 110 2HA GLY 110 -13.123 8.192 -2.252 859 HA PRO 111 HA PRO 111 -9.353 11.046 -2.375 860 1HB PRO 111 1HB PRO 111 -10.501 13.509 -2.442 861 2HB PRO 111 2HB PRO 111 -10.366 12.499 -3.914 862 1HG PRO 111 1HG PRO 111 -12.760 12.773 -2.053 863 2HG PRO 111 2HG PRO 111 -12.730 12.951 -3.837 864 1HD PRO 111 1HD PRO 111 -13.426 10.601 -2.640 865 2HD PRO 111 2HD PRO 111 -12.484 10.629 -4.162 866 H SER 112 H SER 112 -11.954 10.550 -0.176 867 HA SER 112 HA SER 112 -10.491 11.980 1.981 868 1HB SER 112 1HB SER 112 -13.042 12.664 0.998 869 2HB SER 112 2HB SER 112 -13.403 11.644 2.397 870 HG SER 112 HG SER 112 -11.596 13.841 2.370 871 H SER 113 H SER 113 -10.716 10.920 4.100 872 HA SER 113 HA SER 113 -11.372 8.047 3.971 873 1HB SER 113 1HB SER 113 -8.914 7.715 4.831 874 2HB SER 113 2HB SER 113 -9.176 7.951 3.110 875 HG SER 113 HG SER 113 -8.236 9.765 3.122 876 H GLY 114 H GLY 114 -10.861 6.971 6.052 877 1HA GLY 114 1HA GLY 114 -10.787 6.868 8.374 878 2HA GLY 114 2HA GLY 114 -10.581 8.616 8.424 Start of MODEL 17 1 1H GLY 1 H GLY 1 -15.050 16.338 -4.254 2 1HA GLY 1 1HA GLY 1 -15.206 15.570 -6.610 3 2HA GLY 1 2HA GLY 1 -13.822 16.638 -6.932 4 H SER 2 H SER 2 -13.499 14.053 -7.597 5 HA SER 2 HA SER 2 -11.579 13.038 -5.568 6 1HB SER 2 1HB SER 2 -13.634 11.341 -7.015 7 2HB SER 2 2HB SER 2 -12.374 10.757 -5.921 8 HG SER 2 HG SER 2 -14.647 11.236 -5.142 9 H SER 3 H SER 3 -12.672 11.979 -8.866 10 HA SER 3 HA SER 3 -10.118 11.711 -9.988 11 1HB SER 3 1HB SER 3 -12.355 10.985 -10.942 12 2HB SER 3 2HB SER 3 -12.631 12.680 -11.399 13 HG SER 3 HG SER 3 -11.788 11.551 -13.125 14 H GLY 4 H GLY 4 -8.718 13.151 -10.961 15 1HA GLY 4 1HA GLY 4 -9.250 16.024 -11.082 16 2HA GLY 4 2HA GLY 4 -8.146 15.522 -9.779 17 H SER 5 H SER 5 -6.252 14.013 -10.595 18 HA SER 5 HA SER 5 -5.734 14.161 -13.446 19 1HB SER 5 1HB SER 5 -3.700 15.309 -11.481 20 2HB SER 5 2HB SER 5 -3.503 15.139 -13.232 21 HG SER 5 HG SER 5 -5.747 16.486 -12.839 22 H SER 6 H SER 6 -3.902 12.670 -14.025 23 HA SER 6 HA SER 6 -4.219 10.263 -12.533 24 1HB SER 6 1HB SER 6 -2.339 10.839 -14.839 25 2HB SER 6 2HB SER 6 -3.021 9.274 -14.345 26 HG SER 6 HG SER 6 -4.288 10.017 -16.020 27 H GLY 7 H GLY 7 -2.092 12.832 -11.871 28 1HA GLY 7 1HA GLY 7 -0.013 11.059 -10.685 29 2HA GLY 7 2HA GLY 7 0.114 12.796 -11.001 30 H GLU 8 H GLU 8 -0.887 10.393 -8.687 31 HA GLU 8 HA GLU 8 -1.765 12.568 -6.836 32 1HB GLU 8 1HB GLU 8 -2.848 9.738 -7.050 33 2HB GLU 8 2HB GLU 8 -3.174 10.827 -5.696 34 1HG GLU 8 1HG GLU 8 -4.280 12.418 -7.125 35 2HG GLU 8 2HG GLU 8 -3.865 11.488 -8.576 36 H VAL 9 H VAL 9 0.944 11.045 -7.439 37 HA VAL 9 HA VAL 9 1.597 9.546 -5.106 38 HB VAL 9 HB VAL 9 3.460 11.111 -6.944 39 1HG1 VAL 9 1HG1 VAL 9 5.103 9.367 -6.424 40 2HG1 VAL 9 2HG1 VAL 9 4.545 10.166 -4.953 41 3HG1 VAL 9 3HG1 VAL 9 3.926 8.547 -5.373 42 1HG2 VAL 9 1HG2 VAL 9 3.630 8.982 -8.274 43 2HG2 VAL 9 2HG2 VAL 9 2.261 8.330 -7.349 44 3HG2 VAL 9 3HG2 VAL 9 2.057 9.757 -8.398 45 H GLN 10 H GLN 10 2.160 12.960 -6.103 46 HA GLN 10 HA GLN 10 3.687 13.406 -3.695 47 1HB GLN 10 1HB GLN 10 2.880 15.433 -5.798 48 2HB GLN 10 2HB GLN 10 4.181 15.582 -4.626 49 1HG GLN 10 1HG GLN 10 4.043 13.645 -6.959 50 2HG GLN 10 2HG GLN 10 5.139 15.019 -6.793 51 1HE2 GLN 10 2HE2 GLN 10 5.738 12.137 -7.182 52 2HE2 GLN 10 1HE2 GLN 10 6.769 11.645 -5.838 53 H LYS 11 H LYS 11 0.429 13.448 -4.360 54 HA LYS 11 HA LYS 11 -0.571 15.562 -2.627 55 1HB LYS 11 1HB LYS 11 -1.668 12.853 -3.525 56 2HB LYS 11 2HB LYS 11 -2.465 13.819 -2.313 57 1HG LYS 11 1HG LYS 11 -2.284 15.761 -4.110 58 2HG LYS 11 2HG LYS 11 -2.134 14.407 -5.257 59 1HD LYS 11 1HD LYS 11 -4.235 13.441 -4.403 60 2HD LYS 11 2HD LYS 11 -4.308 14.695 -3.152 61 1HE LYS 11 1HE LYS 11 -4.472 16.435 -4.945 62 2HE LYS 11 2HE LYS 11 -4.640 15.112 -6.120 63 1HZ LYS 11 1HZ LYS 11 -6.454 15.697 -3.847 64 2HZ LYS 11 2HZ LYS 11 -6.582 14.377 -4.822 65 3HZ LYS 11 3HZ LYS 11 -6.789 15.885 -5.462 66 HA PRO 12 HA PRO 12 0.505 13.795 1.300 67 1HB PRO 12 1HB PRO 12 -1.751 14.192 2.854 68 2HB PRO 12 2HB PRO 12 -0.599 15.483 2.458 69 1HG PRO 12 1HG PRO 12 -3.226 14.839 1.169 70 2HG PRO 12 2HG PRO 12 -2.558 16.457 1.561 71 1HD PRO 12 1HD PRO 12 -2.495 15.408 -0.951 72 2HD PRO 12 2HD PRO 12 -1.195 16.451 -0.358 73 H LEU 13 H LEU 13 -0.102 12.001 2.764 74 HA LEU 13 HA LEU 13 -1.222 9.719 1.506 75 1HB LEU 13 1HB LEU 13 0.412 9.743 3.267 76 2HB LEU 13 2HB LEU 13 -0.784 10.300 4.448 77 HG LEU 13 HG LEU 13 -1.267 7.708 2.898 78 1HD1 LEU 13 1HD1 LEU 13 -0.064 6.491 4.594 79 2HD1 LEU 13 2HD1 LEU 13 0.171 7.947 5.584 80 3HD1 LEU 13 3HD1 LEU 13 1.038 7.793 4.071 81 1HD2 LEU 13 1HD2 LEU 13 -3.143 8.493 4.297 82 2HD2 LEU 13 2HD2 LEU 13 -2.066 8.589 5.701 83 3HD2 LEU 13 3HD2 LEU 13 -2.409 7.020 4.940 84 H HIS 14 H HIS 14 -2.589 12.285 3.585 85 HA HIS 14 HA HIS 14 -5.025 10.853 3.914 86 1HB HIS 14 1HB HIS 14 -5.794 12.741 5.189 87 2HB HIS 14 2HB HIS 14 -4.109 12.438 5.585 88 HD1 HIS 14 HD1 HIS 14 -6.055 14.724 3.154 89 HD2 HIS 14 HD2 HIS 14 -2.604 14.606 5.555 90 HE1 HIS 14 HE1 HIS 14 -4.903 17.020 2.898 91 H GLU 15 H GLU 15 -4.121 11.896 1.041 92 HA GLU 15 HA GLU 15 -6.900 12.548 0.195 93 1HB GLU 15 1HB GLU 15 -4.312 13.723 -0.903 94 2HB GLU 15 2HB GLU 15 -5.801 13.640 -1.838 95 1HG GLU 15 1HG GLU 15 -6.933 14.937 0.036 96 2HG GLU 15 2HG GLU 15 -5.308 15.350 0.586 97 H GLN 16 H GLN 16 -4.790 10.111 0.464 98 HA GLN 16 HA GLN 16 -4.536 9.276 -2.294 99 1HB GLN 16 1HB GLN 16 -4.068 7.807 0.337 100 2HB GLN 16 2HB GLN 16 -3.674 7.138 -1.248 101 1HG GLN 16 1HG GLN 16 -2.573 9.711 -0.103 102 2HG GLN 16 2HG GLN 16 -1.701 8.189 -0.163 103 1HE2 GLN 16 2HE2 GLN 16 -1.166 10.928 -1.370 104 2HE2 GLN 16 1HE2 GLN 16 -0.964 10.599 -3.087 105 H LEU 17 H LEU 17 -5.199 7.105 -2.933 106 HA LEU 17 HA LEU 17 -8.130 6.889 -2.577 107 1HB LEU 17 1HB LEU 17 -7.828 5.600 -4.739 108 2HB LEU 17 2HB LEU 17 -7.816 7.350 -4.802 109 HG LEU 17 HG LEU 17 -5.308 5.584 -4.905 110 1HD1 LEU 17 1HD1 LEU 17 -6.984 5.153 -6.774 111 2HD1 LEU 17 2HD1 LEU 17 -5.422 5.742 -7.305 112 3HD1 LEU 17 3HD1 LEU 17 -6.809 6.853 -7.236 113 1HD2 LEU 17 1HD2 LEU 17 -4.546 7.814 -4.438 114 2HD2 LEU 17 2HD2 LEU 17 -5.758 8.517 -5.531 115 3HD2 LEU 17 3HD2 LEU 17 -4.374 7.606 -6.168 116 H TRP 18 H TRP 18 -5.159 4.953 -2.810 117 HA TRP 18 HA TRP 18 -6.456 2.484 -1.976 118 1HB TRP 18 1HB TRP 18 -4.014 1.857 -1.451 119 2HB TRP 18 2HB TRP 18 -4.519 2.109 -3.083 120 HD1 TRP 18 HD1 TRP 18 -3.034 3.738 -4.482 121 HE1 TRP 18 HE1 TRP 18 -1.103 5.320 -3.952 122 HE3 TRP 18 HE3 TRP 18 -3.293 3.773 0.655 123 HZ2 TRP 18 HZ2 TRP 18 0.110 6.403 -1.764 124 HZ3 TRP 18 HZ3 TRP 18 -1.696 5.146 1.965 125 HH2 TRP 18 HH2 TRP 18 0.081 6.439 0.796 126 H TYR 19 H TYR 19 -5.930 5.333 -0.202 127 HA TYR 19 HA TYR 19 -5.324 3.920 2.277 128 1HB TYR 19 1HB TYR 19 -4.294 6.055 1.883 129 2HB TYR 19 2HB TYR 19 -5.869 6.833 1.743 130 HD1 TYR 19 HD1 TYR 19 -5.809 8.361 3.541 131 HD2 TYR 19 HD2 TYR 19 -4.803 4.216 4.285 132 HE1 TYR 19 HE1 TYR 19 -5.885 8.767 5.966 133 HE2 TYR 19 HE2 TYR 19 -4.955 4.599 6.684 134 HH TYR 19 HH TYR 19 -6.143 7.595 8.124 135 H HIS 20 H HIS 20 -7.246 2.479 2.378 136 HA HIS 20 HA HIS 20 -9.890 3.686 2.355 137 1HB HIS 20 1HB HIS 20 -8.928 0.903 2.928 138 2HB HIS 20 2HB HIS 20 -10.564 1.419 3.348 139 HD1 HIS 20 HD1 HIS 20 -12.298 0.884 1.533 140 HD2 HIS 20 HD2 HIS 20 -8.384 1.630 0.089 141 HE1 HIS 20 HE1 HIS 20 -12.355 0.473 -0.967 142 H GLY 21 H GLY 21 -7.514 3.229 4.899 143 1HA GLY 21 1HA GLY 21 -7.727 4.898 6.629 144 2HA GLY 21 2HA GLY 21 -9.424 4.495 6.818 145 H ALA 22 H ALA 22 -9.931 2.946 8.345 146 HA ALA 22 HA ALA 22 -7.876 1.107 9.415 147 1HB ALA 22 1HB ALA 22 -10.095 2.526 10.904 148 2HB ALA 22 2HB ALA 22 -8.990 1.308 11.575 149 3HB ALA 22 3HB ALA 22 -8.371 2.898 11.057 150 H ILE 23 H ILE 23 -8.533 -0.367 7.905 151 HA ILE 23 HA ILE 23 -11.284 -1.430 8.164 152 HB ILE 23 HB ILE 23 -11.476 -1.355 6.027 153 1HG1 ILE 23 1HG1 ILE 23 -9.078 -3.204 5.749 154 2HG1 ILE 23 2HG1 ILE 23 -10.762 -3.657 6.037 155 1HG2 ILE 23 1HG2 ILE 23 -9.953 -0.414 4.465 156 2HG2 ILE 23 2HG2 ILE 23 -9.985 0.560 5.924 157 3HG2 ILE 23 3HG2 ILE 23 -8.603 -0.524 5.596 158 1HD1 ILE 23 1HD1 ILE 23 -10.334 -4.060 3.790 159 2HD1 ILE 23 2HD1 ILE 23 -11.376 -2.632 3.890 160 3HD1 ILE 23 3HD1 ILE 23 -9.648 -2.431 3.521 161 HA PRO 24 HA PRO 24 -9.396 -4.943 10.001 162 1HB PRO 24 1HB PRO 24 -11.397 -6.848 9.738 163 2HB PRO 24 2HB PRO 24 -11.419 -5.525 10.945 164 1HG PRO 24 1HG PRO 24 -12.802 -5.715 8.283 165 2HG PRO 24 2HG PRO 24 -13.416 -5.029 9.828 166 1HD PRO 24 1HD PRO 24 -12.416 -3.529 7.716 167 2HD PRO 24 2HD PRO 24 -12.382 -2.994 9.422 168 H ARG 25 H ARG 25 -8.558 -7.045 9.499 169 HA ARG 25 HA ARG 25 -7.572 -7.178 6.835 170 1HB ARG 25 1HB ARG 25 -6.285 -9.007 7.538 171 2HB ARG 25 2HB ARG 25 -6.549 -8.135 9.050 172 1HG ARG 25 1HG ARG 25 -8.348 -9.709 9.673 173 2HG ARG 25 2HG ARG 25 -8.125 -10.579 8.144 174 1HD ARG 25 1HD ARG 25 -5.735 -10.936 8.752 175 2HD ARG 25 2HD ARG 25 -6.133 -10.356 10.401 176 HE ARG 25 HE ARG 25 -8.009 -12.323 9.552 177 1HH1 ARG 25 2HH1 ARG 25 -4.570 -12.228 10.448 178 2HH1 ARG 25 1HH1 ARG 25 -4.503 -13.956 10.703 179 1HH2 ARG 25 2HH2 ARG 25 -7.966 -14.374 10.064 180 2HH2 ARG 25 1HH2 ARG 25 -6.648 -15.156 10.913 181 H ALA 26 H ALA 26 -10.465 -8.592 8.182 182 HA ALA 26 HA ALA 26 -10.652 -10.720 6.267 183 1HB ALA 26 1HB ALA 26 -12.974 -10.899 7.070 184 2HB ALA 26 2HB ALA 26 -11.798 -10.807 8.406 185 3HB ALA 26 3HB ALA 26 -12.782 -9.381 7.978 186 H GLU 27 H GLU 27 -11.878 -7.335 6.400 187 HA GLU 27 HA GLU 27 -13.637 -7.529 4.202 188 1HB GLU 27 1HB GLU 27 -12.288 -5.304 5.712 189 2HB GLU 27 2HB GLU 27 -13.198 -4.901 4.260 190 1HG GLU 27 1HG GLU 27 -14.245 -6.453 6.646 191 2HG GLU 27 2HG GLU 27 -14.471 -4.724 6.395 192 H VAL 28 H VAL 28 -10.224 -6.735 4.425 193 HA VAL 28 HA VAL 28 -9.470 -5.705 2.055 194 HB VAL 28 HB VAL 28 -8.215 -8.076 3.452 195 1HG1 VAL 28 1HG1 VAL 28 -6.963 -6.179 1.446 196 2HG1 VAL 28 2HG1 VAL 28 -6.137 -7.450 2.388 197 3HG1 VAL 28 3HG1 VAL 28 -7.332 -7.905 1.189 198 1HG2 VAL 28 1HG2 VAL 28 -6.724 -6.354 4.461 199 2HG2 VAL 28 2HG2 VAL 28 -7.648 -5.080 3.644 200 3HG2 VAL 28 3HG2 VAL 28 -8.413 -6.071 4.896 201 H ALA 29 H ALA 29 -9.963 -9.297 2.340 202 HA ALA 29 HA ALA 29 -9.399 -9.680 -0.406 203 1HB ALA 29 1HB ALA 29 -9.540 -11.376 1.610 204 2HB ALA 29 2HB ALA 29 -11.156 -11.660 0.943 205 3HB ALA 29 3HB ALA 29 -9.705 -11.875 -0.100 206 H GLU 30 H GLU 30 -12.378 -8.563 1.009 207 HA GLU 30 HA GLU 30 -14.053 -9.441 -1.231 208 1HB GLU 30 1HB GLU 30 -15.848 -8.642 -0.106 209 2HB GLU 30 2HB GLU 30 -14.778 -9.055 1.221 210 1HG GLU 30 1HG GLU 30 -15.129 -7.049 2.088 211 2HG GLU 30 2HG GLU 30 -14.225 -6.334 0.768 212 H LEU 31 H LEU 31 -11.928 -6.817 -0.458 213 HA LEU 31 HA LEU 31 -13.124 -4.953 -2.377 214 1HB LEU 31 1HB LEU 31 -10.497 -4.828 -0.823 215 2HB LEU 31 2HB LEU 31 -11.178 -3.528 -1.773 216 HG LEU 31 HG LEU 31 -12.565 -4.731 0.689 217 1HD1 LEU 31 1HD1 LEU 31 -10.502 -3.671 1.330 218 2HD1 LEU 31 2HD1 LEU 31 -11.829 -2.567 1.723 219 3HD1 LEU 31 3HD1 LEU 31 -10.837 -2.242 0.303 220 1HD2 LEU 31 1HD2 LEU 31 -13.030 -2.120 -0.844 221 2HD2 LEU 31 2HD2 LEU 31 -13.896 -2.660 0.600 222 3HD2 LEU 31 3HD2 LEU 31 -14.113 -3.548 -0.909 223 H LEU 32 H LEU 32 -10.192 -6.904 -2.048 224 HA LEU 32 HA LEU 32 -9.095 -6.084 -4.641 225 1HB LEU 32 1HB LEU 32 -8.169 -8.525 -3.094 226 2HB LEU 32 2HB LEU 32 -7.203 -7.428 -4.094 227 HG LEU 32 HG LEU 32 -8.335 -6.939 -1.361 228 1HD1 LEU 32 1HD1 LEU 32 -6.132 -6.967 -0.519 229 2HD1 LEU 32 2HD1 LEU 32 -5.478 -7.233 -2.135 230 3HD1 LEU 32 3HD1 LEU 32 -6.482 -8.482 -1.345 231 1HD2 LEU 32 1HD2 LEU 32 -6.426 -5.008 -2.626 232 2HD2 LEU 32 2HD2 LEU 32 -7.650 -4.805 -1.325 233 3HD2 LEU 32 3HD2 LEU 32 -8.139 -4.930 -2.986 234 H VAL 33 H VAL 33 -9.085 -7.321 -6.559 235 HA VAL 33 HA VAL 33 -10.500 -9.959 -6.436 236 HB VAL 33 HB VAL 33 -10.943 -7.622 -8.382 237 1HG1 VAL 33 1HG1 VAL 33 -12.429 -10.276 -8.291 238 2HG1 VAL 33 2HG1 VAL 33 -12.883 -8.862 -9.286 239 3HG1 VAL 33 3HG1 VAL 33 -11.356 -9.674 -9.580 240 1HG2 VAL 33 1HG2 VAL 33 -13.256 -7.473 -7.456 241 2HG2 VAL 33 2HG2 VAL 33 -12.785 -8.623 -6.182 242 3HG2 VAL 33 3HG2 VAL 33 -12.003 -7.031 -6.310 243 H HIS 34 H HIS 34 -7.830 -8.183 -7.785 244 HA HIS 34 HA HIS 34 -7.164 -10.638 -9.335 245 1HB HIS 34 1HB HIS 34 -6.420 -7.937 -10.384 246 2HB HIS 34 2HB HIS 34 -6.626 -9.452 -11.236 247 HD1 HIS 34 HD1 HIS 34 -9.194 -10.042 -12.011 248 HD2 HIS 34 HD2 HIS 34 -8.721 -6.496 -9.801 249 HE1 HIS 34 HE1 HIS 34 -11.329 -8.693 -12.298 250 H SER 35 H SER 35 -4.809 -10.992 -9.560 251 HA SER 35 HA SER 35 -3.449 -10.370 -7.187 252 1HB SER 35 1HB SER 35 -1.385 -11.155 -8.453 253 2HB SER 35 2HB SER 35 -2.731 -12.291 -8.318 254 HG SER 35 HG SER 35 -1.781 -10.886 -10.569 255 H GLY 36 H GLY 36 -2.530 -8.472 -6.553 256 1HA GLY 36 1HA GLY 36 -0.899 -6.675 -7.352 257 2HA GLY 36 2HA GLY 36 -2.067 -6.427 -8.680 258 H ASP 37 H ASP 37 -4.359 -6.816 -6.897 259 HA ASP 37 HA ASP 37 -4.924 -4.041 -6.433 260 1HB ASP 37 1HB ASP 37 -6.293 -6.664 -5.918 261 2HB ASP 37 2HB ASP 37 -6.811 -5.276 -4.961 262 H PHE 38 H PHE 38 -4.071 -2.874 -4.841 263 HA PHE 38 HA PHE 38 -3.636 -4.089 -2.167 264 1HB PHE 38 1HB PHE 38 -1.636 -2.743 -1.870 265 2HB PHE 38 2HB PHE 38 -1.450 -3.744 -3.292 266 HD1 PHE 38 HD1 PHE 38 -2.203 -0.227 -2.235 267 HD2 PHE 38 HD2 PHE 38 -0.802 -2.873 -5.359 268 HE1 PHE 38 HE1 PHE 38 -1.501 1.713 -3.575 269 HE2 PHE 38 HE2 PHE 38 -0.252 -0.920 -6.754 270 HZ PHE 38 HZ PHE 38 -0.590 1.388 -5.867 271 H LEU 39 H LEU 39 -3.736 -2.634 -0.342 272 HA LEU 39 HA LEU 39 -4.797 0.039 -0.693 273 1HB LEU 39 1HB LEU 39 -6.728 -0.130 0.665 274 2HB LEU 39 2HB LEU 39 -6.866 -1.302 -0.618 275 HG LEU 39 HG LEU 39 -5.766 -2.830 1.477 276 1HD1 LEU 39 1HD1 LEU 39 -7.060 -2.383 3.448 277 2HD1 LEU 39 2HD1 LEU 39 -7.577 -0.823 2.771 278 3HD1 LEU 39 3HD1 LEU 39 -5.861 -1.136 3.095 279 1HD2 LEU 39 1HD2 LEU 39 -8.720 -2.238 1.134 280 2HD2 LEU 39 2HD2 LEU 39 -7.998 -3.780 1.660 281 3HD2 LEU 39 3HD2 LEU 39 -7.854 -3.237 -0.017 282 H VAL 40 H VAL 40 -4.711 1.202 1.402 283 HA VAL 40 HA VAL 40 -2.827 -0.012 3.368 284 HB VAL 40 HB VAL 40 -3.210 2.926 2.704 285 1HG1 VAL 40 1HG1 VAL 40 -1.303 3.288 4.247 286 2HG1 VAL 40 2HG1 VAL 40 -2.700 2.640 5.102 287 3HG1 VAL 40 3HG1 VAL 40 -1.339 1.565 4.691 288 1HG2 VAL 40 1HG2 VAL 40 -0.803 2.707 1.974 289 2HG2 VAL 40 2HG2 VAL 40 -0.923 0.947 2.228 290 3HG2 VAL 40 3HG2 VAL 40 -1.914 1.750 0.996 291 H ARG 41 H ARG 41 -3.542 -0.227 5.364 292 HA ARG 41 HA ARG 41 -6.135 0.951 6.107 293 1HB ARG 41 1HB ARG 41 -6.895 -1.148 7.011 294 2HB ARG 41 2HB ARG 41 -6.389 -1.396 5.323 295 1HG ARG 41 1HG ARG 41 -4.191 -2.279 6.286 296 2HG ARG 41 2HG ARG 41 -4.930 -2.368 7.864 297 1HD ARG 41 1HD ARG 41 -6.907 -3.620 6.605 298 2HD ARG 41 2HD ARG 41 -5.817 -3.675 5.225 299 HE ARG 41 HE ARG 41 -4.565 -5.270 6.182 300 1HH1 ARG 41 2HH1 ARG 41 -7.042 -4.183 8.545 301 2HH1 ARG 41 1HH1 ARG 41 -6.555 -5.272 9.787 302 1HH2 ARG 41 2HH2 ARG 41 -4.027 -6.849 7.811 303 2HH2 ARG 41 1HH2 ARG 41 -4.771 -6.795 9.373 304 H GLU 42 H GLU 42 -6.287 0.700 8.670 305 HA GLU 42 HA GLU 42 -3.622 1.135 9.898 306 1HB GLU 42 1HB GLU 42 -5.221 2.934 9.977 307 2HB GLU 42 2HB GLU 42 -6.411 1.951 10.788 308 1HG GLU 42 1HG GLU 42 -3.722 2.060 12.155 309 2HG GLU 42 2HG GLU 42 -4.465 3.621 11.920 310 H SER 43 H SER 43 -3.276 0.321 12.050 311 HA SER 43 HA SER 43 -3.372 -2.528 12.100 312 1HB SER 43 1HB SER 43 -1.429 -1.193 12.721 313 2HB SER 43 2HB SER 43 -2.353 -0.415 14.005 314 HG SER 43 HG SER 43 -0.894 -2.190 14.621 315 H GLN 44 H GLN 44 -4.081 -1.061 15.123 316 HA GLN 44 HA GLN 44 -6.750 -1.309 14.697 317 1HB GLN 44 1HB GLN 44 -6.293 -3.822 15.204 318 2HB GLN 44 2HB GLN 44 -5.984 -3.333 16.872 319 1HG GLN 44 1HG GLN 44 -8.253 -2.145 16.799 320 2HG GLN 44 2HG GLN 44 -8.465 -2.850 15.184 321 1HE2 GLN 44 2HE2 GLN 44 -10.186 -4.285 15.604 322 2HE2 GLN 44 1HE2 GLN 44 -10.131 -5.544 16.823 323 H GLY 45 H GLY 45 -6.304 0.916 15.369 324 1HA GLY 45 1HA GLY 45 -6.240 2.643 16.898 325 2HA GLY 45 2HA GLY 45 -6.596 1.482 18.184 326 H LYS 46 H LYS 46 -3.868 0.841 16.179 327 HA LYS 46 HA LYS 46 -1.899 2.057 18.058 328 1HB LYS 46 1HB LYS 46 -1.521 -0.092 15.905 329 2HB LYS 46 2HB LYS 46 -0.209 0.795 16.671 330 1HG LYS 46 1HG LYS 46 -0.302 -1.282 17.758 331 2HG LYS 46 2HG LYS 46 -0.939 -0.069 18.865 332 1HD LYS 46 1HD LYS 46 -3.242 -0.846 18.396 333 2HD LYS 46 2HD LYS 46 -2.637 -1.976 17.182 334 1HE LYS 46 1HE LYS 46 -3.237 -3.089 19.259 335 2HE LYS 46 2HE LYS 46 -1.493 -3.252 18.968 336 1HZ LYS 46 1HZ LYS 46 -2.634 -1.160 20.726 337 2HZ LYS 46 2HZ LYS 46 -1.070 -1.604 20.604 338 3HZ LYS 46 3HZ LYS 46 -2.115 -2.641 21.281 339 H GLN 47 H GLN 47 -0.539 3.645 16.990 340 HA GLN 47 HA GLN 47 -1.753 4.871 14.663 341 1HB GLN 47 1HB GLN 47 0.813 5.585 16.137 342 2HB GLN 47 2HB GLN 47 -0.066 6.573 14.994 343 1HG GLN 47 1HG GLN 47 -2.015 6.644 16.555 344 2HG GLN 47 2HG GLN 47 -1.065 5.733 17.741 345 1HE2 GLN 47 2HE2 GLN 47 -1.573 7.791 19.092 346 2HE2 GLN 47 1HE2 GLN 47 -0.488 9.145 18.868 347 H GLU 48 H GLU 48 -1.127 2.347 13.848 348 HA GLU 48 HA GLU 48 1.250 2.727 12.116 349 1HB GLU 48 1HB GLU 48 1.859 1.233 13.987 350 2HB GLU 48 2HB GLU 48 0.469 0.207 13.639 351 1HG GLU 48 1HG GLU 48 2.492 -0.795 12.720 352 2HG GLU 48 2HG GLU 48 1.388 -0.353 11.425 353 H TYR 49 H TYR 49 1.080 1.891 10.032 354 HA TYR 49 HA TYR 49 -1.648 1.072 9.194 355 1HB TYR 49 1HB TYR 49 0.649 2.310 7.664 356 2HB TYR 49 2HB TYR 49 -0.852 1.765 6.930 357 HD1 TYR 49 HD1 TYR 49 0.738 4.635 7.534 358 HD2 TYR 49 HD2 TYR 49 -3.005 2.756 8.558 359 HE1 TYR 49 HE1 TYR 49 -0.328 6.868 7.766 360 HE2 TYR 49 HE2 TYR 49 -4.038 4.962 8.891 361 HH TYR 49 HH TYR 49 -3.813 7.188 8.362 362 H VAL 50 H VAL 50 -1.838 -0.428 7.464 363 HA VAL 50 HA VAL 50 0.293 -2.482 7.200 364 HB VAL 50 HB VAL 50 -2.672 -2.819 7.789 365 1HG1 VAL 50 1HG1 VAL 50 -2.228 -4.394 5.958 366 2HG1 VAL 50 2HG1 VAL 50 -0.756 -4.957 6.770 367 3HG1 VAL 50 3HG1 VAL 50 -2.347 -5.276 7.489 368 1HG2 VAL 50 1HG2 VAL 50 -1.117 -2.646 9.712 369 2HG2 VAL 50 2HG2 VAL 50 -1.878 -4.248 9.594 370 3HG2 VAL 50 3HG2 VAL 50 -0.230 -4.037 9.016 371 H LEU 51 H LEU 51 0.681 -3.005 5.181 372 HA LEU 51 HA LEU 51 -0.953 -2.026 2.945 373 1HB LEU 51 1HB LEU 51 1.588 -1.888 2.984 374 2HB LEU 51 2HB LEU 51 1.672 -3.624 3.112 375 HG LEU 51 HG LEU 51 0.840 -3.922 0.870 376 1HD1 LEU 51 1HD1 LEU 51 0.294 -1.875 -0.548 377 2HD1 LEU 51 2HD1 LEU 51 0.235 -0.932 0.958 378 3HD1 LEU 51 3HD1 LEU 51 -0.912 -2.258 0.670 379 1HD2 LEU 51 1HD2 LEU 51 2.771 -1.556 1.044 380 2HD2 LEU 51 2HD2 LEU 51 2.583 -2.634 -0.359 381 3HD2 LEU 51 3HD2 LEU 51 3.222 -3.259 1.182 382 H SER 52 H SER 52 -2.394 -3.419 2.011 383 HA SER 52 HA SER 52 -1.971 -6.311 2.434 384 1HB SER 52 1HB SER 52 -4.713 -5.069 2.157 385 2HB SER 52 2HB SER 52 -4.243 -6.723 2.580 386 HG SER 52 HG SER 52 -3.947 -4.377 4.054 387 H VAL 53 H VAL 53 -2.029 -7.467 0.473 388 HA VAL 53 HA VAL 53 -3.060 -6.232 -1.880 389 HB VAL 53 HB VAL 53 -0.789 -5.479 -1.963 390 1HG1 VAL 53 1HG1 VAL 53 0.095 -8.375 -1.801 391 2HG1 VAL 53 2HG1 VAL 53 1.116 -6.987 -2.227 392 3HG1 VAL 53 3HG1 VAL 53 0.401 -7.079 -0.618 393 1HG2 VAL 53 1HG2 VAL 53 -0.844 -7.693 -4.041 394 2HG2 VAL 53 2HG2 VAL 53 -2.080 -6.431 -4.068 395 3HG2 VAL 53 3HG2 VAL 53 -0.424 -5.969 -4.215 396 H LEU 54 H LEU 54 -3.680 -7.868 -3.424 397 HA LEU 54 HA LEU 54 -4.020 -10.584 -2.263 398 1HB LEU 54 1HB LEU 54 -5.820 -9.137 -3.400 399 2HB LEU 54 2HB LEU 54 -5.046 -9.461 -4.924 400 HG LEU 54 HG LEU 54 -5.624 -11.929 -4.538 401 1HD1 LEU 54 1HD1 LEU 54 -7.261 -12.468 -2.817 402 2HD1 LEU 54 2HD1 LEU 54 -7.051 -10.852 -2.112 403 3HD1 LEU 54 3HD1 LEU 54 -5.689 -12.007 -2.171 404 1HD2 LEU 54 1HD2 LEU 54 -8.029 -10.153 -4.490 405 2HD2 LEU 54 2HD2 LEU 54 -7.881 -11.786 -5.134 406 3HD2 LEU 54 3HD2 LEU 54 -7.007 -10.463 -5.910 407 H TRP 55 H TRP 55 -2.155 -11.926 -2.678 408 HA TRP 55 HA TRP 55 -1.107 -11.825 -5.447 409 1HB TRP 55 1HB TRP 55 0.398 -10.939 -3.409 410 2HB TRP 55 2HB TRP 55 0.669 -12.653 -3.168 411 HD1 TRP 55 HD1 TRP 55 2.930 -13.207 -4.194 412 HE1 TRP 55 HE1 TRP 55 4.265 -12.558 -6.307 413 HE3 TRP 55 HE3 TRP 55 -0.335 -9.805 -6.176 414 HZ2 TRP 55 HZ2 TRP 55 4.112 -10.402 -8.302 415 HZ3 TRP 55 HZ3 TRP 55 0.340 -8.415 -8.114 416 HH2 TRP 55 HH2 TRP 55 2.558 -8.678 -9.138 417 H ASP 56 H ASP 56 -1.113 -13.855 -6.408 418 HA ASP 56 HA ASP 56 -1.780 -15.985 -6.730 419 1HB ASP 56 1HB ASP 56 -0.376 -16.350 -4.059 420 2HB ASP 56 2HB ASP 56 -0.877 -17.653 -5.104 421 H GLY 57 H GLY 57 -3.817 -14.328 -5.801 422 1HA GLY 57 1HA GLY 57 -5.981 -14.384 -5.085 423 2HA GLY 57 2HA GLY 57 -5.844 -16.142 -5.022 424 H LEU 58 H LEU 58 -3.591 -14.337 -3.088 425 HA LEU 58 HA LEU 58 -5.101 -15.025 -0.629 426 1HB LEU 58 1HB LEU 58 -3.377 -16.667 -1.204 427 2HB LEU 58 2HB LEU 58 -2.138 -15.421 -1.054 428 HG LEU 58 HG LEU 58 -4.074 -16.121 1.202 429 1HD1 LEU 58 1HD1 LEU 58 -2.923 -18.163 0.595 430 2HD1 LEU 58 2HD1 LEU 58 -2.249 -17.553 2.113 431 3HD1 LEU 58 3HD1 LEU 58 -1.365 -17.335 0.596 432 1HD2 LEU 58 1HD2 LEU 58 -1.579 -14.439 0.985 433 2HD2 LEU 58 2HD2 LEU 58 -1.909 -15.277 2.515 434 3HD2 LEU 58 3HD2 LEU 58 -3.068 -14.125 1.866 435 HA PRO 59 HA PRO 59 -4.191 -10.632 -0.180 436 1HB PRO 59 1HB PRO 59 -5.709 -10.129 2.040 437 2HB PRO 59 2HB PRO 59 -6.397 -10.337 0.396 438 1HG PRO 59 1HG PRO 59 -6.117 -12.382 2.585 439 2HG PRO 59 2HG PRO 59 -7.561 -12.005 1.563 440 1HD PRO 59 1HD PRO 59 -5.836 -14.076 1.104 441 2HD PRO 59 2HD PRO 59 -6.675 -13.209 -0.222 442 H ARG 60 H ARG 60 -1.967 -10.834 0.258 443 HA ARG 60 HA ARG 60 -1.028 -11.736 2.884 444 1HB ARG 60 1HB ARG 60 0.386 -9.878 0.985 445 2HB ARG 60 2HB ARG 60 1.127 -10.900 2.198 446 1HG ARG 60 1HG ARG 60 -0.334 -12.101 -0.210 447 2HG ARG 60 2HG ARG 60 1.349 -11.645 -0.276 448 1HD ARG 60 1HD ARG 60 1.919 -13.171 1.539 449 2HD ARG 60 2HD ARG 60 0.217 -13.453 1.907 450 HE ARG 60 HE ARG 60 0.734 -14.215 -0.792 451 1HH1 ARG 60 2HH1 ARG 60 1.377 -15.352 2.548 452 2HH1 ARG 60 1HH1 ARG 60 1.282 -17.024 2.096 453 1HH2 ARG 60 2HH2 ARG 60 0.965 -16.522 -1.329 454 2HH2 ARG 60 1HH2 ARG 60 0.933 -17.652 -0.018 455 H HIS 61 H HIS 61 -0.481 -10.387 4.606 456 HA HIS 61 HA HIS 61 -1.200 -7.487 4.429 457 1HB HIS 61 1HB HIS 61 -1.566 -9.220 6.889 458 2HB HIS 61 2HB HIS 61 -2.027 -7.539 6.676 459 HD1 HIS 61 HD1 HIS 61 -4.124 -7.264 4.619 460 HD2 HIS 61 HD2 HIS 61 -3.248 -11.025 6.319 461 HE1 HIS 61 HE1 HIS 61 -6.199 -8.713 4.313 462 H PHE 62 H PHE 62 0.736 -6.521 4.346 463 HA PHE 62 HA PHE 62 2.941 -7.355 6.189 464 1HB PHE 62 1HB PHE 62 3.041 -5.539 3.737 465 2HB PHE 62 2HB PHE 62 4.390 -6.242 4.603 466 HD1 PHE 62 HD1 PHE 62 4.519 -8.918 4.541 467 HD2 PHE 62 HD2 PHE 62 2.262 -6.556 1.725 468 HE1 PHE 62 HE1 PHE 62 4.543 -10.806 2.920 469 HE2 PHE 62 HE2 PHE 62 2.336 -8.447 0.101 470 HZ PHE 62 HZ PHE 62 3.412 -10.588 0.711 471 H ILE 63 H ILE 63 3.268 -5.961 7.942 472 HA ILE 63 HA ILE 63 1.786 -3.494 8.232 473 HB ILE 63 HB ILE 63 4.113 -4.783 9.636 474 1HG1 ILE 63 1HG1 ILE 63 1.576 -5.339 9.938 475 2HG1 ILE 63 2HG1 ILE 63 2.613 -5.214 11.327 476 1HG2 ILE 63 1HG2 ILE 63 4.852 -2.567 9.792 477 2HG2 ILE 63 2HG2 ILE 63 3.216 -1.912 9.997 478 3HG2 ILE 63 3HG2 ILE 63 3.992 -2.830 11.299 479 1HD1 ILE 63 1HD1 ILE 63 1.649 -3.118 12.003 480 2HD1 ILE 63 2HD1 ILE 63 0.998 -2.796 10.393 481 3HD1 ILE 63 3HD1 ILE 63 0.255 -4.035 11.387 482 H ILE 64 H ILE 64 2.302 -1.436 7.580 483 HA ILE 64 HA ILE 64 4.017 -1.083 5.352 484 HB ILE 64 HB ILE 64 2.735 0.810 7.333 485 1HG1 ILE 64 1HG1 ILE 64 1.231 -0.460 5.804 486 2HG1 ILE 64 2HG1 ILE 64 1.082 1.291 5.760 487 1HG2 ILE 64 1HG2 ILE 64 4.314 1.593 4.847 488 2HG2 ILE 64 2HG2 ILE 64 3.151 2.649 5.683 489 3HG2 ILE 64 3HG2 ILE 64 4.574 2.104 6.533 490 1HD1 ILE 64 1HD1 ILE 64 0.974 0.203 3.544 491 2HD1 ILE 64 2HD1 ILE 64 2.183 1.488 3.689 492 3HD1 ILE 64 3HD1 ILE 64 2.707 -0.209 3.726 493 H GLN 65 H GLN 65 5.889 -0.021 5.253 494 HA GLN 65 HA GLN 65 7.938 -0.895 7.015 495 1HB GLN 65 1HB GLN 65 8.277 1.442 5.106 496 2HB GLN 65 2HB GLN 65 9.432 0.219 5.533 497 1HG GLN 65 1HG GLN 65 8.740 -0.428 3.347 498 2HG GLN 65 2HG GLN 65 7.709 -1.414 4.346 499 1HE2 GLN 65 2HE2 GLN 65 7.885 1.656 2.345 500 2HE2 GLN 65 1HE2 GLN 65 6.169 1.624 1.984 501 H SER 66 H SER 66 9.583 0.624 8.083 502 HA SER 66 HA SER 66 9.126 3.330 8.462 503 1HB SER 66 1HB SER 66 7.294 2.542 10.003 504 2HB SER 66 2HB SER 66 8.491 1.513 10.802 505 HG SER 66 HG SER 66 8.304 3.263 11.999 506 H LEU 67 H LEU 67 11.027 4.058 9.256 507 HA LEU 67 HA LEU 67 12.952 2.245 10.602 508 1HB LEU 67 1HB LEU 67 14.841 3.380 9.297 509 2HB LEU 67 2HB LEU 67 14.001 2.025 8.574 510 HG LEU 67 HG LEU 67 13.221 4.896 7.907 511 1HD1 LEU 67 1HD1 LEU 67 14.749 4.623 5.899 512 2HD1 LEU 67 2HD1 LEU 67 15.343 3.122 6.617 513 3HD1 LEU 67 3HD1 LEU 67 15.628 4.661 7.441 514 1HD2 LEU 67 1HD2 LEU 67 11.569 3.561 6.962 515 2HD2 LEU 67 2HD2 LEU 67 12.636 2.189 6.779 516 3HD2 LEU 67 3HD2 LEU 67 12.728 3.563 5.642 517 H ASP 68 H ASP 68 12.451 5.645 9.541 518 HA ASP 68 HA ASP 68 13.138 6.596 12.277 519 1HB ASP 68 1HB ASP 68 14.509 7.366 9.669 520 2HB ASP 68 2HB ASP 68 14.374 8.510 11.006 521 H ASN 69 H ASN 69 12.687 8.164 9.137 522 HA ASN 69 HA ASN 69 9.878 8.759 9.665 523 1HB ASN 69 1HB ASN 69 11.084 10.680 10.626 524 2HB ASN 69 2HB ASN 69 11.937 10.925 9.089 525 1HD2 ASN 69 2HD2 ASN 69 10.957 12.474 7.810 526 2HD2 ASN 69 1HD2 ASN 69 9.237 12.716 7.687 527 H LEU 70 H LEU 70 10.959 6.863 8.057 528 HA LEU 70 HA LEU 70 10.316 7.822 5.380 529 1HB LEU 70 1HB LEU 70 12.705 5.999 5.759 530 2HB LEU 70 2HB LEU 70 12.172 6.713 4.284 531 HG LEU 70 HG LEU 70 13.154 8.544 6.489 532 1HD1 LEU 70 1HD1 LEU 70 15.425 8.346 5.604 533 2HD1 LEU 70 2HD1 LEU 70 14.907 6.974 4.588 534 3HD1 LEU 70 3HD1 LEU 70 14.859 6.870 6.380 535 1HD2 LEU 70 1HD2 LEU 70 13.821 9.929 4.581 536 2HD2 LEU 70 2HD2 LEU 70 12.110 9.500 4.462 537 3HD2 LEU 70 3HD2 LEU 70 13.309 8.668 3.445 538 H TYR 71 H TYR 71 10.285 5.666 3.991 539 HA TYR 71 HA TYR 71 9.325 3.362 5.605 540 1HB TYR 71 1HB TYR 71 7.832 4.542 3.186 541 2HB TYR 71 2HB TYR 71 7.263 3.293 4.278 542 HD1 TYR 71 HD1 TYR 71 6.478 3.871 6.544 543 HD2 TYR 71 HD2 TYR 71 7.729 6.920 3.795 544 HE1 TYR 71 HE1 TYR 71 5.441 5.543 7.993 545 HE2 TYR 71 HE2 TYR 71 6.756 8.659 5.263 546 HH TYR 71 HH TYR 71 5.849 9.059 7.469 547 H ARG 72 H ARG 72 10.594 1.597 4.717 548 HA ARG 72 HA ARG 72 11.473 1.761 1.876 549 1HB ARG 72 1HB ARG 72 13.684 1.063 2.499 550 2HB ARG 72 2HB ARG 72 13.265 2.532 3.373 551 1HG ARG 72 1HG ARG 72 14.131 1.429 5.152 552 2HG ARG 72 2HG ARG 72 12.540 0.690 5.247 553 1HD ARG 72 1HD ARG 72 13.805 -1.159 5.359 554 2HD ARG 72 2HD ARG 72 13.591 -1.103 3.608 555 HE ARG 72 HE ARG 72 15.919 0.184 4.974 556 1HH1 ARG 72 2HH1 ARG 72 14.971 -2.667 3.071 557 2HH1 ARG 72 1HH1 ARG 72 16.505 -2.846 2.315 558 1HH2 ARG 72 2HH2 ARG 72 17.977 -0.116 4.046 559 2HH2 ARG 72 1HH2 ARG 72 18.293 -1.517 3.058 560 H LEU 73 H LEU 73 10.964 -0.065 0.802 561 HA LEU 73 HA LEU 73 10.094 -2.428 2.413 562 1HB LEU 73 1HB LEU 73 8.317 -0.997 1.127 563 2HB LEU 73 2HB LEU 73 8.946 -1.809 -0.306 564 HG LEU 73 HG LEU 73 8.411 -3.974 0.550 565 1HD1 LEU 73 1HD1 LEU 73 8.376 -3.478 3.068 566 2HD1 LEU 73 2HD1 LEU 73 6.965 -4.338 2.462 567 3HD1 LEU 73 3HD1 LEU 73 6.830 -2.629 2.783 568 1HD2 LEU 73 1HD2 LEU 73 6.176 -1.908 0.513 569 2HD2 LEU 73 2HD2 LEU 73 5.937 -3.658 0.349 570 3HD2 LEU 73 3HD2 LEU 73 6.901 -2.781 -0.856 571 H GLU 74 H GLU 74 11.654 -1.460 -0.699 572 HA GLU 74 HA GLU 74 12.943 -4.130 -0.676 573 1HB GLU 74 1HB GLU 74 11.471 -4.061 -2.571 574 2HB GLU 74 2HB GLU 74 12.115 -2.532 -3.115 575 1HG GLU 74 1HG GLU 74 12.975 -4.503 -4.397 576 2HG GLU 74 2HG GLU 74 14.243 -3.521 -3.675 577 H GLY 75 H GLY 75 13.514 -1.161 -2.556 578 1HA GLY 75 1HA GLY 75 16.359 -1.252 -2.027 579 2HA GLY 75 2HA GLY 75 15.452 -0.193 -3.126 580 H GLU 76 H GLU 76 15.398 1.979 -2.448 581 HA GLU 76 HA GLU 76 16.268 2.589 0.283 582 1HB GLU 76 1HB GLU 76 16.559 4.813 -0.466 583 2HB GLU 76 2HB GLU 76 17.196 3.725 -1.700 584 1HG GLU 76 1HG GLU 76 15.158 4.005 -3.057 585 2HG GLU 76 2HG GLU 76 14.469 5.076 -1.830 586 H GLY 77 H GLY 77 15.219 4.517 1.429 587 1HA GLY 77 1HA GLY 77 12.339 4.078 1.632 588 2HA GLY 77 2HA GLY 77 13.386 4.941 2.772 589 H PHE 78 H PHE 78 10.972 5.973 1.949 590 HA PHE 78 HA PHE 78 11.859 8.475 0.625 591 1HB PHE 78 1HB PHE 78 9.427 6.813 -0.127 592 2HB PHE 78 2HB PHE 78 9.355 8.526 -0.256 593 HD1 PHE 78 HD1 PHE 78 11.434 5.613 -1.439 594 HD2 PHE 78 HD2 PHE 78 10.365 9.767 -2.026 595 HE1 PHE 78 HE1 PHE 78 12.837 5.708 -3.462 596 HE2 PHE 78 HE2 PHE 78 11.780 9.825 -4.049 597 HZ PHE 78 HZ PHE 78 13.064 7.812 -4.727 598 HA PRO 79 HA PRO 79 10.164 10.383 4.162 599 1HB PRO 79 1HB PRO 79 9.116 12.762 3.205 600 2HB PRO 79 2HB PRO 79 10.879 12.413 3.281 601 1HG PRO 79 1HG PRO 79 8.950 12.077 0.983 602 2HG PRO 79 2HG PRO 79 10.535 12.922 0.958 603 1HD PRO 79 1HD PRO 79 10.304 10.394 0.086 604 2HD PRO 79 2HD PRO 79 11.718 10.846 1.092 605 H SER 80 H SER 80 7.892 9.445 1.691 606 HA SER 80 HA SER 80 5.587 9.802 3.545 607 1HB SER 80 1HB SER 80 5.306 10.234 0.606 608 2HB SER 80 2HB SER 80 4.340 10.854 1.825 609 HG SER 80 HG SER 80 5.946 12.322 2.477 610 H ILE 81 H ILE 81 3.969 8.162 3.178 611 HA ILE 81 HA ILE 81 5.002 5.659 2.141 612 HB ILE 81 HB ILE 81 2.189 6.430 3.043 613 1HG1 ILE 81 1HG1 ILE 81 4.203 4.536 4.336 614 2HG1 ILE 81 2HG1 ILE 81 4.229 6.253 4.700 615 1HG2 ILE 81 1HG2 ILE 81 1.727 3.989 2.968 616 2HG2 ILE 81 2HG2 ILE 81 2.044 4.645 1.358 617 3HG2 ILE 81 3HG2 ILE 81 3.307 3.725 2.188 618 1HD1 ILE 81 1HD1 ILE 81 3.025 4.932 6.384 619 2HD1 ILE 81 2HD1 ILE 81 2.075 6.233 5.690 620 3HD1 ILE 81 3HD1 ILE 81 1.773 4.550 5.185 621 HA PRO 82 HA PRO 82 2.037 6.683 -1.413 622 1HB PRO 82 1HB PRO 82 1.613 9.339 -2.172 623 2HB PRO 82 2HB PRO 82 0.529 8.367 -1.154 624 1HG PRO 82 1HG PRO 82 2.517 10.373 -0.205 625 2HG PRO 82 2HG PRO 82 0.900 10.015 0.445 626 1HD PRO 82 1HD PRO 82 3.065 9.136 1.616 627 2HD PRO 82 2HD PRO 82 1.593 8.168 1.620 628 H LEU 83 H LEU 83 4.755 8.834 -0.861 629 HA LEU 83 HA LEU 83 5.648 8.957 -3.563 630 1HB LEU 83 1HB LEU 83 6.856 9.502 -0.838 631 2HB LEU 83 2HB LEU 83 7.867 9.442 -2.258 632 HG LEU 83 HG LEU 83 6.341 11.135 -3.381 633 1HD1 LEU 83 1HD1 LEU 83 4.883 12.471 -2.329 634 2HD1 LEU 83 2HD1 LEU 83 5.262 11.901 -0.719 635 3HD1 LEU 83 3HD1 LEU 83 4.348 10.883 -1.877 636 1HD2 LEU 83 1HD2 LEU 83 7.712 12.004 -0.799 637 2HD2 LEU 83 2HD2 LEU 83 7.434 12.976 -2.266 638 3HD2 LEU 83 3HD2 LEU 83 8.559 11.640 -2.328 639 H LEU 84 H LEU 84 6.246 6.611 -0.969 640 HA LEU 84 HA LEU 84 8.261 5.196 -2.444 641 1HB LEU 84 1HB LEU 84 7.543 5.230 0.118 642 2HB LEU 84 2HB LEU 84 6.378 3.984 -0.391 643 HG LEU 84 HG LEU 84 8.297 3.066 0.746 644 1HD1 LEU 84 1HD1 LEU 84 8.558 2.176 -2.106 645 2HD1 LEU 84 2HD1 LEU 84 7.160 1.735 -1.082 646 3HD1 LEU 84 3HD1 LEU 84 8.810 1.235 -0.634 647 1HD2 LEU 84 1HD2 LEU 84 10.024 4.662 0.055 648 2HD2 LEU 84 2HD2 LEU 84 10.005 3.973 -1.593 649 3HD2 LEU 84 3HD2 LEU 84 10.530 3.000 -0.205 650 H ILE 85 H ILE 85 4.726 5.057 -2.394 651 HA ILE 85 HA ILE 85 4.384 2.557 -3.530 652 HB ILE 85 HB ILE 85 2.694 4.964 -4.218 653 1HG1 ILE 85 1HG1 ILE 85 2.916 4.855 -1.915 654 2HG1 ILE 85 2HG1 ILE 85 1.300 4.259 -2.281 655 1HG2 ILE 85 1HG2 ILE 85 0.860 3.369 -4.500 656 2HG2 ILE 85 2HG2 ILE 85 2.178 2.983 -5.616 657 3HG2 ILE 85 3HG2 ILE 85 1.945 2.017 -4.140 658 1HD1 ILE 85 1HD1 ILE 85 3.755 2.611 -1.463 659 2HD1 ILE 85 2HD1 ILE 85 2.387 3.073 -0.444 660 3HD1 ILE 85 3HD1 ILE 85 2.136 1.970 -1.811 661 H ASP 86 H ASP 86 5.027 5.679 -5.172 662 HA ASP 86 HA ASP 86 4.610 4.507 -7.792 663 1HB ASP 86 1HB ASP 86 4.478 6.940 -7.319 664 2HB ASP 86 2HB ASP 86 6.219 7.010 -7.116 665 H HIS 87 H HIS 87 7.412 4.869 -5.705 666 HA HIS 87 HA HIS 87 9.253 4.084 -7.786 667 1HB HIS 87 1HB HIS 87 9.619 4.469 -4.818 668 2HB HIS 87 2HB HIS 87 10.912 3.959 -5.887 669 HD1 HIS 87 HD1 HIS 87 12.394 5.957 -6.618 670 HD2 HIS 87 HD2 HIS 87 8.338 6.947 -6.051 671 HE1 HIS 87 HE1 HIS 87 12.150 8.414 -7.229 672 H LEU 88 H LEU 88 6.997 2.242 -5.879 673 HA LEU 88 HA LEU 88 8.519 -0.240 -6.481 674 1HB LEU 88 1HB LEU 88 6.139 0.541 -4.777 675 2HB LEU 88 2HB LEU 88 6.410 -1.131 -5.280 676 HG LEU 88 HG LEU 88 7.502 0.476 -3.193 677 1HD1 LEU 88 1HD1 LEU 88 7.861 -2.445 -4.049 678 2HD1 LEU 88 2HD1 LEU 88 6.590 -1.788 -2.982 679 3HD1 LEU 88 3HD1 LEU 88 8.283 -1.854 -2.432 680 1HD2 LEU 88 1HD2 LEU 88 9.784 -0.820 -4.740 681 2HD2 LEU 88 2HD2 LEU 88 9.863 -0.235 -3.070 682 3HD2 LEU 88 3HD2 LEU 88 9.581 0.908 -4.365 683 H LEU 89 H LEU 89 5.495 1.531 -7.195 684 HA LEU 89 HA LEU 89 4.271 -0.573 -8.710 685 1HB LEU 89 1HB LEU 89 3.455 1.853 -7.667 686 2HB LEU 89 2HB LEU 89 3.519 2.254 -9.368 687 HG LEU 89 HG LEU 89 2.218 -0.331 -8.601 688 1HD1 LEU 89 1HD1 LEU 89 0.992 2.344 -7.890 689 2HD1 LEU 89 2HD1 LEU 89 1.390 0.983 -6.815 690 3HD1 LEU 89 3HD1 LEU 89 0.081 0.828 -8.002 691 1HD2 LEU 89 1HD2 LEU 89 2.164 0.271 -10.902 692 2HD2 LEU 89 2HD2 LEU 89 1.333 1.810 -10.504 693 3HD2 LEU 89 3HD2 LEU 89 0.529 0.252 -10.177 694 H SER 90 H SER 90 6.113 2.314 -9.650 695 HA SER 90 HA SER 90 5.859 1.521 -12.412 696 1HB SER 90 1HB SER 90 7.242 3.913 -11.140 697 2HB SER 90 2HB SER 90 6.819 3.735 -12.859 698 HG SER 90 HG SER 90 5.269 4.703 -10.942 699 H THR 91 H THR 91 7.824 0.394 -10.131 700 HA THR 91 HA THR 91 10.145 0.026 -11.952 701 HB THR 91 HB THR 91 11.537 -0.350 -10.025 702 HG1 THR 91 HG1 THR 91 9.985 0.506 -8.054 703 1HG2 THR 91 1HG2 THR 91 11.559 1.866 -9.045 704 2HG2 THR 91 2HG2 THR 91 9.883 2.166 -9.518 705 3HG2 THR 91 3HG2 THR 91 11.140 2.029 -10.765 706 H GLN 92 H GLN 92 7.617 -1.387 -10.033 707 HA GLN 92 HA GLN 92 6.773 -3.507 -9.861 708 1HB GLN 92 1HB GLN 92 8.479 -4.192 -12.291 709 2HB GLN 92 2HB GLN 92 7.235 -5.211 -11.600 710 1HG GLN 92 1HG GLN 92 6.649 -2.414 -12.681 711 2HG GLN 92 2HG GLN 92 6.645 -3.860 -13.686 712 1HE2 GLN 92 2HE2 GLN 92 4.987 -2.165 -11.119 713 2HE2 GLN 92 1HE2 GLN 92 3.715 -3.276 -10.774 714 H GLN 93 H GLN 93 8.289 -2.919 -7.976 715 HA GLN 93 HA GLN 93 10.422 -4.960 -7.690 716 1HB GLN 93 1HB GLN 93 9.976 -2.234 -6.538 717 2HB GLN 93 2HB GLN 93 10.682 -3.430 -5.440 718 1HG GLN 93 1HG GLN 93 12.466 -3.941 -7.051 719 2HG GLN 93 2HG GLN 93 11.765 -2.820 -8.206 720 1HE2 GLN 93 2HE2 GLN 93 11.591 -0.494 -7.486 721 2HE2 GLN 93 1HE2 GLN 93 13.003 0.092 -6.613 722 HA PRO 94 HA PRO 94 7.974 -7.436 -4.963 723 1HB PRO 94 1HB PRO 94 9.879 -8.592 -3.401 724 2HB PRO 94 2HB PRO 94 9.728 -8.939 -5.149 725 1HG PRO 94 1HG PRO 94 11.623 -6.985 -3.821 726 2HG PRO 94 2HG PRO 94 11.997 -8.240 -5.045 727 1HD PRO 94 1HD PRO 94 11.591 -5.663 -5.756 728 2HD PRO 94 2HD PRO 94 10.983 -6.991 -6.777 729 H LEU 95 H LEU 95 6.984 -7.418 -3.000 730 HA LEU 95 HA LEU 95 7.458 -5.129 -1.249 731 1HB LEU 95 1HB LEU 95 5.413 -7.345 -1.014 732 2HB LEU 95 2HB LEU 95 5.496 -5.813 -0.070 733 HG LEU 95 HG LEU 95 4.757 -6.235 -2.926 734 1HD1 LEU 95 1HD1 LEU 95 3.388 -4.836 -0.614 735 2HD1 LEU 95 2HD1 LEU 95 3.034 -6.464 -1.182 736 3HD1 LEU 95 3HD1 LEU 95 2.694 -5.077 -2.226 737 1HD2 LEU 95 1HD2 LEU 95 4.750 -4.026 -3.523 738 2HD2 LEU 95 2HD2 LEU 95 6.318 -4.221 -2.795 739 3HD2 LEU 95 3HD2 LEU 95 5.006 -3.438 -1.867 740 H THR 96 H THR 96 8.463 -8.440 -1.169 741 HA THR 96 HA THR 96 10.100 -7.796 0.985 742 HB THR 96 HB THR 96 8.694 -8.366 2.687 743 HG1 THR 96 HG1 THR 96 9.331 -10.234 3.490 744 1HG2 THR 96 1HG2 THR 96 7.028 -10.213 2.695 745 2HG2 THR 96 2HG2 THR 96 7.423 -10.527 0.990 746 3HG2 THR 96 3HG2 THR 96 6.671 -8.992 1.468 747 H LYS 97 H LYS 97 11.862 -9.221 0.946 748 HA LYS 97 HA LYS 97 12.287 -10.727 -1.461 749 1HB LYS 97 1HB LYS 97 13.876 -9.738 0.728 750 2HB LYS 97 2HB LYS 97 14.086 -11.476 0.709 751 1HG LYS 97 1HG LYS 97 15.801 -10.596 -0.613 752 2HG LYS 97 2HG LYS 97 14.677 -11.321 -1.749 753 1HD LYS 97 1HD LYS 97 14.543 -8.364 -1.124 754 2HD LYS 97 2HD LYS 97 15.774 -8.964 -2.201 755 1HE LYS 97 1HE LYS 97 12.785 -9.375 -2.665 756 2HE LYS 97 2HE LYS 97 13.763 -8.088 -3.359 757 1HZ LYS 97 1HZ LYS 97 14.212 -10.974 -3.850 758 2HZ LYS 97 2HZ LYS 97 15.122 -9.748 -4.453 759 3HZ LYS 97 3HZ LYS 97 13.550 -9.918 -4.901 760 H LYS 98 H LYS 98 10.430 -11.542 1.220 761 HA LYS 98 HA LYS 98 10.710 -14.461 0.785 762 1HB LYS 98 1HB LYS 98 8.652 -12.833 2.357 763 2HB LYS 98 2HB LYS 98 8.683 -14.592 2.221 764 1HG LYS 98 1HG LYS 98 10.830 -12.836 3.478 765 2HG LYS 98 2HG LYS 98 9.682 -13.882 4.314 766 1HD LYS 98 1HD LYS 98 11.441 -15.301 4.323 767 2HD LYS 98 2HD LYS 98 10.781 -15.744 2.726 768 1HE LYS 98 1HE LYS 98 12.428 -14.199 1.658 769 2HE LYS 98 2HE LYS 98 13.019 -13.701 3.244 770 1HZ LYS 98 1HZ LYS 98 13.965 -15.799 3.568 771 2HZ LYS 98 2HZ LYS 98 14.350 -15.394 2.031 772 3HZ LYS 98 3HZ LYS 98 13.147 -16.491 2.311 773 H SER 99 H SER 99 7.959 -12.190 0.489 774 HA SER 99 HA SER 99 6.609 -14.097 -0.977 775 1HB SER 99 1HB SER 99 6.058 -11.113 -0.640 776 2HB SER 99 2HB SER 99 4.848 -12.329 -1.080 777 HG SER 99 HG SER 99 4.962 -13.207 0.856 778 H GLY 100 H GLY 100 8.661 -11.476 -2.223 779 1HA GLY 100 1HA GLY 100 9.244 -10.970 -4.365 780 2HA GLY 100 2HA GLY 100 8.302 -12.313 -4.953 781 H VAL 101 H VAL 101 5.941 -10.747 -3.315 782 HA VAL 101 HA VAL 101 4.575 -10.136 -5.522 783 HB VAL 101 HB VAL 101 3.603 -10.630 -3.566 784 1HG1 VAL 101 1HG1 VAL 101 3.838 -8.482 -1.740 785 2HG1 VAL 101 2HG1 VAL 101 3.606 -10.198 -1.555 786 3HG1 VAL 101 3HG1 VAL 101 5.246 -9.552 -1.900 787 1HG2 VAL 101 1HG2 VAL 101 2.382 -8.769 -4.923 788 2HG2 VAL 101 2HG2 VAL 101 1.763 -9.229 -3.325 789 3HG2 VAL 101 3HG2 VAL 101 2.785 -7.785 -3.492 790 H VAL 102 H VAL 102 4.213 -8.478 -7.029 791 HA VAL 102 HA VAL 102 5.598 -5.933 -6.361 792 HB VAL 102 HB VAL 102 5.914 -5.497 -8.617 793 1HG1 VAL 102 1HG1 VAL 102 6.753 -8.380 -8.207 794 2HG1 VAL 102 2HG1 VAL 102 7.549 -7.150 -9.219 795 3HG1 VAL 102 3HG1 VAL 102 7.558 -6.997 -7.455 796 1HG2 VAL 102 1HG2 VAL 102 3.904 -6.471 -9.631 797 2HG2 VAL 102 2HG2 VAL 102 5.394 -6.818 -10.497 798 3HG2 VAL 102 3HG2 VAL 102 4.657 -8.086 -9.493 799 H LEU 103 H LEU 103 4.562 -3.949 -6.746 800 HA LEU 103 HA LEU 103 1.706 -3.942 -6.277 801 1HB LEU 103 1HB LEU 103 3.593 -1.746 -7.176 802 2HB LEU 103 2HB LEU 103 1.948 -1.513 -6.604 803 HG LEU 103 HG LEU 103 4.398 -2.313 -5.014 804 1HD1 LEU 103 1HD1 LEU 103 3.923 -0.193 -3.865 805 2HD1 LEU 103 2HD1 LEU 103 2.443 0.011 -4.835 806 3HD1 LEU 103 3HD1 LEU 103 4.020 0.087 -5.611 807 1HD2 LEU 103 1HD2 LEU 103 2.593 -3.631 -4.088 808 2HD2 LEU 103 2HD2 LEU 103 1.478 -2.282 -4.124 809 3HD2 LEU 103 3HD2 LEU 103 2.890 -2.297 -3.004 810 H HIS 104 H HIS 104 0.032 -3.478 -7.697 811 HA HIS 104 HA HIS 104 0.769 -2.895 -10.540 812 1HB HIS 104 1HB HIS 104 -0.937 -5.064 -9.401 813 2HB HIS 104 2HB HIS 104 -1.176 -4.531 -11.017 814 HD1 HIS 104 HD1 HIS 104 2.149 -4.608 -11.712 815 HD2 HIS 104 HD2 HIS 104 -0.477 -7.521 -10.174 816 HE1 HIS 104 HE1 HIS 104 3.119 -6.881 -12.326 817 H ARG 105 H ARG 105 -1.946 -3.172 -8.044 818 HA ARG 105 HA ARG 105 -3.315 -1.051 -9.556 819 1HB ARG 105 1HB ARG 105 -3.895 -3.489 -10.257 820 2HB ARG 105 2HB ARG 105 -4.637 -3.593 -8.667 821 1HG ARG 105 1HG ARG 105 -6.458 -2.932 -9.985 822 2HG ARG 105 2HG ARG 105 -5.888 -1.371 -9.414 823 1HD ARG 105 1HD ARG 105 -4.505 -1.222 -11.564 824 2HD ARG 105 2HD ARG 105 -5.335 -2.698 -12.093 825 HE ARG 105 HE ARG 105 -7.163 -0.610 -11.239 826 1HH1 ARG 105 2HH1 ARG 105 -5.193 -1.735 -13.998 827 2HH1 ARG 105 1HH1 ARG 105 -6.029 -0.758 -15.160 828 1HH2 ARG 105 2HH2 ARG 105 -8.384 0.553 -12.856 829 2HH2 ARG 105 1HH2 ARG 105 -7.942 0.430 -14.519 830 H ALA 106 H ALA 106 -4.772 0.207 -8.226 831 HA ALA 106 HA ALA 106 -4.444 -0.281 -5.306 832 1HB ALA 106 1HB ALA 106 -3.013 1.513 -6.340 833 2HB ALA 106 2HB ALA 106 -4.492 2.362 -6.823 834 3HB ALA 106 3HB ALA 106 -4.152 2.081 -5.111 835 H VAL 107 H VAL 107 -6.408 -0.700 -4.348 836 HA VAL 107 HA VAL 107 -8.931 -0.259 -5.668 837 HB VAL 107 HB VAL 107 -8.530 -0.557 -2.658 838 1HG1 VAL 107 1HG1 VAL 107 -10.710 -1.629 -2.767 839 2HG1 VAL 107 2HG1 VAL 107 -10.822 -0.052 -3.523 840 3HG1 VAL 107 3HG1 VAL 107 -10.717 -1.497 -4.558 841 1HG2 VAL 107 1HG2 VAL 107 -8.738 -2.928 -2.888 842 2HG2 VAL 107 2HG2 VAL 107 -8.576 -2.827 -4.667 843 3HG2 VAL 107 3HG2 VAL 107 -7.224 -2.370 -3.596 844 HA PRO 108 HA PRO 108 -9.096 4.030 -4.182 845 1HB PRO 108 1HB PRO 108 -10.994 4.991 -5.834 846 2HB PRO 108 2HB PRO 108 -9.419 4.455 -6.481 847 1HG PRO 108 1HG PRO 108 -12.049 2.932 -6.532 848 2HG PRO 108 2HG PRO 108 -10.770 3.042 -7.789 849 1HD PRO 108 1HD PRO 108 -11.090 0.990 -5.887 850 2HD PRO 108 2HD PRO 108 -9.652 1.305 -6.921 851 H SER 109 H SER 109 -9.848 4.504 -2.266 852 HA SER 109 HA SER 109 -12.550 3.827 -1.367 853 1HB SER 109 1HB SER 109 -11.726 5.001 0.645 854 2HB SER 109 2HB SER 109 -10.651 3.710 0.153 855 HG SER 109 HG SER 109 -10.210 6.485 -0.362 856 H GLY 110 H GLY 110 -11.179 6.133 -3.374 857 1HA GLY 110 1HA GLY 110 -11.785 8.308 -4.057 858 2HA GLY 110 2HA GLY 110 -13.013 8.379 -2.776 859 HA PRO 111 HA PRO 111 -8.885 10.216 -1.286 860 1HB PRO 111 1HB PRO 111 -9.471 12.884 -1.179 861 2HB PRO 111 2HB PRO 111 -8.902 12.078 -2.671 862 1HG PRO 111 1HG PRO 111 -11.760 12.692 -1.867 863 2HG PRO 111 2HG PRO 111 -10.954 13.039 -3.429 864 1HD PRO 111 1HD PRO 111 -12.512 10.823 -3.056 865 2HD PRO 111 2HD PRO 111 -11.047 10.771 -4.086 866 H SER 112 H SER 112 -12.272 10.289 -0.364 867 HA SER 112 HA SER 112 -11.863 11.125 2.382 868 1HB SER 112 1HB SER 112 -14.251 10.067 2.407 869 2HB SER 112 2HB SER 112 -13.978 11.646 1.649 870 HG SER 112 HG SER 112 -15.163 9.742 0.515 871 H SER 113 H SER 113 -10.179 9.748 3.111 872 HA SER 113 HA SER 113 -10.424 6.878 3.144 873 1HB SER 113 1HB SER 113 -8.385 8.389 3.740 874 2HB SER 113 2HB SER 113 -9.183 8.624 5.310 875 HG SER 113 HG SER 113 -8.315 6.250 4.045 876 H GLY 114 H GLY 114 -11.329 5.598 4.875 877 1HA GLY 114 1HA GLY 114 -12.622 5.195 6.790 878 2HA GLY 114 2HA GLY 114 -13.091 6.899 6.871 Start of MODEL 18 1 1H GLY 1 H GLY 1 -15.254 5.402 -19.341 2 1HA GLY 1 1HA GLY 1 -13.202 4.711 -18.219 3 2HA GLY 1 2HA GLY 1 -12.304 5.395 -19.581 4 H SER 2 H SER 2 -14.554 6.310 -16.861 5 HA SER 2 HA SER 2 -14.380 9.051 -17.109 6 1HB SER 2 1HB SER 2 -14.492 7.460 -14.527 7 2HB SER 2 2HB SER 2 -15.198 9.056 -14.841 8 HG SER 2 HG SER 2 -16.819 7.641 -14.996 9 H SER 3 H SER 3 -11.986 6.823 -15.591 10 HA SER 3 HA SER 3 -10.602 8.885 -14.146 11 1HB SER 3 1HB SER 3 -9.769 6.065 -14.934 12 2HB SER 3 2HB SER 3 -9.005 7.078 -13.693 13 HG SER 3 HG SER 3 -10.500 5.624 -12.779 14 H GLY 4 H GLY 4 -8.160 9.122 -14.550 15 1HA GLY 4 1HA GLY 4 -7.654 9.755 -17.432 16 2HA GLY 4 2HA GLY 4 -7.133 10.754 -16.075 17 H SER 5 H SER 5 -5.258 10.093 -14.828 18 HA SER 5 HA SER 5 -4.005 7.521 -15.622 19 1HB SER 5 1HB SER 5 -2.439 10.109 -15.463 20 2HB SER 5 2HB SER 5 -1.860 8.508 -15.956 21 HG SER 5 HG SER 5 -2.258 9.615 -17.803 22 H SER 6 H SER 6 -2.603 6.638 -14.096 23 HA SER 6 HA SER 6 -3.196 7.113 -11.314 24 1HB SER 6 1HB SER 6 -0.998 5.495 -12.678 25 2HB SER 6 2HB SER 6 -1.619 5.236 -11.050 26 HG SER 6 HG SER 6 -2.364 3.813 -12.704 27 H GLY 7 H GLY 7 -1.584 7.744 -9.668 28 1HA GLY 7 1HA GLY 7 1.052 7.872 -9.916 29 2HA GLY 7 2HA GLY 7 0.622 9.497 -10.491 30 H GLU 8 H GLU 8 -0.804 10.763 -9.060 31 HA GLU 8 HA GLU 8 -1.160 11.832 -7.100 32 1HB GLU 8 1HB GLU 8 -1.655 9.002 -6.073 33 2HB GLU 8 2HB GLU 8 -2.241 10.509 -5.377 34 1HG GLU 8 1HG GLU 8 -4.091 9.839 -6.537 35 2HG GLU 8 2HG GLU 8 -3.330 10.985 -7.640 36 H VAL 9 H VAL 9 1.746 10.769 -7.508 37 HA VAL 9 HA VAL 9 2.754 9.653 -5.278 38 HB VAL 9 HB VAL 9 4.345 11.549 -7.041 39 1HG1 VAL 9 1HG1 VAL 9 5.988 9.665 -6.970 40 2HG1 VAL 9 2HG1 VAL 9 5.533 10.354 -5.400 41 3HG1 VAL 9 3HG1 VAL 9 4.870 8.796 -5.882 42 1HG2 VAL 9 1HG2 VAL 9 2.958 10.613 -8.752 43 2HG2 VAL 9 2HG2 VAL 9 4.475 9.742 -8.805 44 3HG2 VAL 9 3HG2 VAL 9 3.070 8.982 -8.044 45 H GLN 10 H GLN 10 2.619 13.086 -6.174 46 HA GLN 10 HA GLN 10 4.154 13.861 -3.799 47 1HB GLN 10 1HB GLN 10 3.049 15.648 -5.986 48 2HB GLN 10 2HB GLN 10 4.331 16.017 -4.841 49 1HG GLN 10 1HG GLN 10 4.447 14.019 -7.144 50 2HG GLN 10 2HG GLN 10 5.220 15.583 -7.052 51 1HE2 GLN 10 2HE2 GLN 10 6.092 12.466 -7.062 52 2HE2 GLN 10 1HE2 GLN 10 7.463 12.549 -5.993 53 H LYS 11 H LYS 11 0.893 13.346 -4.604 54 HA LYS 11 HA LYS 11 -0.414 15.474 -3.134 55 1HB LYS 11 1HB LYS 11 -1.315 12.615 -3.765 56 2HB LYS 11 2HB LYS 11 -2.314 13.859 -3.079 57 1HG LYS 11 1HG LYS 11 -1.735 15.270 -5.171 58 2HG LYS 11 2HG LYS 11 -1.172 13.737 -5.892 59 1HD LYS 11 1HD LYS 11 -3.345 12.734 -5.681 60 2HD LYS 11 2HD LYS 11 -3.887 14.030 -4.600 61 1HE LYS 11 1HE LYS 11 -3.534 15.675 -6.452 62 2HE LYS 11 2HE LYS 11 -3.250 14.306 -7.549 63 1HZ LYS 11 1HZ LYS 11 -5.546 15.050 -7.599 64 2HZ LYS 11 2HZ LYS 11 -5.698 14.837 -5.981 65 3HZ LYS 11 3HZ LYS 11 -5.496 13.527 -6.944 66 HA PRO 12 HA PRO 12 0.355 13.896 0.938 67 1HB PRO 12 1HB PRO 12 -2.024 14.254 2.267 68 2HB PRO 12 2HB PRO 12 -0.864 15.558 1.920 69 1HG PRO 12 1HG PRO 12 -3.402 14.862 0.476 70 2HG PRO 12 2HG PRO 12 -2.751 16.484 0.850 71 1HD PRO 12 1HD PRO 12 -2.504 15.306 -1.610 72 2HD PRO 12 2HD PRO 12 -1.290 16.436 -0.980 73 H LEU 13 H LEU 13 -0.177 12.087 2.307 74 HA LEU 13 HA LEU 13 -1.211 9.741 1.049 75 1HB LEU 13 1HB LEU 13 0.451 9.824 2.822 76 2HB LEU 13 2HB LEU 13 -0.748 10.361 3.993 77 HG LEU 13 HG LEU 13 -1.221 7.749 2.480 78 1HD1 LEU 13 1HD1 LEU 13 1.173 7.894 3.591 79 2HD1 LEU 13 2HD1 LEU 13 0.131 6.466 3.749 80 3HD1 LEU 13 3HD1 LEU 13 0.266 7.592 5.083 81 1HD2 LEU 13 1HD2 LEU 13 -2.916 8.784 4.132 82 2HD2 LEU 13 2HD2 LEU 13 -1.743 8.485 5.419 83 3HD2 LEU 13 3HD2 LEU 13 -2.397 7.140 4.479 84 H HIS 14 H HIS 14 -2.667 12.279 3.058 85 HA HIS 14 HA HIS 14 -5.002 10.753 3.563 86 1HB HIS 14 1HB HIS 14 -5.828 12.695 4.715 87 2HB HIS 14 2HB HIS 14 -4.123 12.508 5.074 88 HD1 HIS 14 HD1 HIS 14 -6.285 14.577 2.593 89 HD2 HIS 14 HD2 HIS 14 -2.752 14.730 4.868 90 HE1 HIS 14 HE1 HIS 14 -5.318 16.934 2.271 91 H GLU 15 H GLU 15 -4.236 11.926 0.486 92 HA GLU 15 HA GLU 15 -7.059 12.446 -0.165 93 1HB GLU 15 1HB GLU 15 -5.794 14.411 -0.598 94 2HB GLU 15 2HB GLU 15 -4.408 13.499 -1.225 95 1HG GLU 15 1HG GLU 15 -5.498 12.853 -3.145 96 2HG GLU 15 2HG GLU 15 -7.098 13.371 -2.559 97 H GLN 16 H GLN 16 -4.499 10.141 -0.148 98 HA GLN 16 HA GLN 16 -4.726 9.111 -2.787 99 1HB GLN 16 1HB GLN 16 -4.010 7.592 -0.256 100 2HB GLN 16 2HB GLN 16 -3.683 7.102 -1.912 101 1HG GLN 16 1HG GLN 16 -2.564 9.596 -0.579 102 2HG GLN 16 2HG GLN 16 -1.738 8.055 -0.563 103 1HE2 GLN 16 2HE2 GLN 16 -1.288 10.934 -1.798 104 2HE2 GLN 16 1HE2 GLN 16 -0.623 10.484 -3.369 105 H LEU 17 H LEU 17 -5.467 6.940 -3.301 106 HA LEU 17 HA LEU 17 -8.316 6.763 -2.526 107 1HB LEU 17 1HB LEU 17 -8.374 5.409 -4.662 108 2HB LEU 17 2HB LEU 17 -8.303 7.105 -4.811 109 HG LEU 17 HG LEU 17 -5.729 5.501 -4.886 110 1HD1 LEU 17 1HD1 LEU 17 -5.941 4.981 -7.214 111 2HD1 LEU 17 2HD1 LEU 17 -7.567 5.712 -7.287 112 3HD1 LEU 17 3HD1 LEU 17 -7.261 4.237 -6.332 113 1HD2 LEU 17 1HD2 LEU 17 -5.621 7.976 -4.973 114 2HD2 LEU 17 2HD2 LEU 17 -6.678 7.982 -6.407 115 3HD2 LEU 17 3HD2 LEU 17 -5.054 7.260 -6.481 116 H TRP 18 H TRP 18 -5.498 4.692 -3.098 117 HA TRP 18 HA TRP 18 -6.660 2.247 -2.091 118 1HB TRP 18 1HB TRP 18 -4.268 1.570 -1.797 119 2HB TRP 18 2HB TRP 18 -4.761 2.026 -3.375 120 HD1 TRP 18 HD1 TRP 18 -3.197 3.529 -4.631 121 HE1 TRP 18 HE1 TRP 18 -1.335 5.099 -4.145 122 HE3 TRP 18 HE3 TRP 18 -3.317 3.445 0.512 123 HZ2 TRP 18 HZ2 TRP 18 0.097 6.085 -1.928 124 HZ3 TRP 18 HZ3 TRP 18 -1.661 4.780 1.796 125 HH2 TRP 18 HH2 TRP 18 0.074 6.098 0.611 126 H TYR 19 H TYR 19 -5.882 5.184 -0.482 127 HA TYR 19 HA TYR 19 -5.195 3.858 2.048 128 1HB TYR 19 1HB TYR 19 -4.065 5.897 1.531 129 2HB TYR 19 2HB TYR 19 -5.572 6.772 1.376 130 HD1 TYR 19 HD1 TYR 19 -5.513 8.334 3.155 131 HD2 TYR 19 HD2 TYR 19 -4.468 4.228 4.016 132 HE1 TYR 19 HE1 TYR 19 -5.386 8.853 5.579 133 HE2 TYR 19 HE2 TYR 19 -4.381 4.723 6.407 134 HH TYR 19 HH TYR 19 -5.215 6.508 8.087 135 H HIS 20 H HIS 20 -7.082 2.540 2.312 136 HA HIS 20 HA HIS 20 -9.754 3.717 2.526 137 1HB HIS 20 1HB HIS 20 -8.686 0.933 3.102 138 2HB HIS 20 2HB HIS 20 -10.314 1.441 3.491 139 HD1 HIS 20 HD1 HIS 20 -12.035 0.844 1.775 140 HD2 HIS 20 HD2 HIS 20 -8.152 1.310 0.185 141 HE1 HIS 20 HE1 HIS 20 -12.170 0.244 -0.695 142 H GLY 21 H GLY 21 -7.168 4.169 4.498 143 1HA GLY 21 1HA GLY 21 -7.120 5.268 6.476 144 2HA GLY 21 2HA GLY 21 -8.863 5.029 6.661 145 H ALA 22 H ALA 22 -9.584 3.309 7.846 146 HA ALA 22 HA ALA 22 -7.637 1.460 9.149 147 1HB ALA 22 1HB ALA 22 -8.225 3.343 10.647 148 2HB ALA 22 2HB ALA 22 -9.944 2.977 10.423 149 3HB ALA 22 3HB ALA 22 -8.889 1.803 11.230 150 H ILE 23 H ILE 23 -8.185 -0.603 8.416 151 HA ILE 23 HA ILE 23 -11.014 -1.328 8.414 152 HB ILE 23 HB ILE 23 -11.313 -1.420 6.244 153 1HG1 ILE 23 1HG1 ILE 23 -8.699 -2.937 5.872 154 2HG1 ILE 23 2HG1 ILE 23 -10.296 -3.606 6.235 155 1HG2 ILE 23 1HG2 ILE 23 -9.882 -0.340 4.640 156 2HG2 ILE 23 2HG2 ILE 23 -10.069 0.646 6.064 157 3HG2 ILE 23 3HG2 ILE 23 -8.548 -0.253 5.800 158 1HD1 ILE 23 1HD1 ILE 23 -9.881 -3.972 3.951 159 2HD1 ILE 23 2HD1 ILE 23 -11.174 -2.772 4.124 160 3HD1 ILE 23 3HD1 ILE 23 -9.538 -2.259 3.656 161 HA PRO 24 HA PRO 24 -9.192 -5.086 10.076 162 1HB PRO 24 1HB PRO 24 -11.291 -6.836 9.700 163 2HB PRO 24 2HB PRO 24 -11.292 -5.544 10.959 164 1HG PRO 24 1HG PRO 24 -12.492 -5.621 8.213 165 2HG PRO 24 2HG PRO 24 -13.279 -5.025 9.710 166 1HD PRO 24 1HD PRO 24 -12.142 -3.374 7.831 167 2HD PRO 24 2HD PRO 24 -12.128 -2.979 9.570 168 H ARG 25 H ARG 25 -8.488 -7.261 9.442 169 HA ARG 25 HA ARG 25 -7.720 -7.418 6.713 170 1HB ARG 25 1HB ARG 25 -6.693 -9.485 7.169 171 2HB ARG 25 2HB ARG 25 -6.477 -8.474 8.588 172 1HG ARG 25 1HG ARG 25 -8.396 -9.735 9.685 173 2HG ARG 25 2HG ARG 25 -8.453 -10.774 8.267 174 1HD ARG 25 1HD ARG 25 -7.175 -11.928 9.881 175 2HD ARG 25 2HD ARG 25 -6.022 -11.355 8.655 176 HE ARG 25 HE ARG 25 -6.002 -9.357 10.557 177 1HH1 ARG 25 2HH1 ARG 25 -5.534 -12.913 10.939 178 2HH1 ARG 25 1HH1 ARG 25 -4.455 -12.645 12.273 179 1HH2 ARG 25 2HH2 ARG 25 -4.509 -9.173 12.190 180 2HH2 ARG 25 1HH2 ARG 25 -3.684 -10.564 12.844 181 H ALA 26 H ALA 26 -10.652 -8.635 8.264 182 HA ALA 26 HA ALA 26 -11.229 -10.457 6.099 183 1HB ALA 26 1HB ALA 26 -12.996 -9.461 8.345 184 2HB ALA 26 2HB ALA 26 -13.349 -10.812 7.260 185 3HB ALA 26 3HB ALA 26 -11.979 -10.925 8.380 186 H GLU 27 H GLU 27 -11.464 -7.047 6.212 187 HA GLU 27 HA GLU 27 -13.765 -6.931 4.353 188 1HB GLU 27 1HB GLU 27 -11.950 -4.987 5.735 189 2HB GLU 27 2HB GLU 27 -12.846 -4.458 4.287 190 1HG GLU 27 1HG GLU 27 -14.014 -5.687 6.792 191 2HG GLU 27 2HG GLU 27 -13.971 -3.948 6.468 192 H VAL 28 H VAL 28 -10.245 -6.787 4.398 193 HA VAL 28 HA VAL 28 -9.467 -5.728 2.089 194 HB VAL 28 HB VAL 28 -8.320 -8.256 3.315 195 1HG1 VAL 28 1HG1 VAL 28 -6.969 -6.260 1.470 196 2HG1 VAL 28 2HG1 VAL 28 -6.215 -7.654 2.288 197 3HG1 VAL 28 3HG1 VAL 28 -7.429 -7.927 1.054 198 1HG2 VAL 28 1HG2 VAL 28 -8.447 -6.304 4.883 199 2HG2 VAL 28 2HG2 VAL 28 -6.785 -6.762 4.494 200 3HG2 VAL 28 3HG2 VAL 28 -7.523 -5.336 3.729 201 H ALA 29 H ALA 29 -10.101 -9.314 2.115 202 HA ALA 29 HA ALA 29 -9.531 -9.529 -0.666 203 1HB ALA 29 1HB ALA 29 -10.066 -11.746 -0.515 204 2HB ALA 29 2HB ALA 29 -9.605 -11.357 1.169 205 3HB ALA 29 3HB ALA 29 -11.316 -11.460 0.735 206 H GLU 30 H GLU 30 -12.344 -8.293 0.787 207 HA GLU 30 HA GLU 30 -14.174 -9.006 -1.405 208 1HB GLU 30 1HB GLU 30 -15.561 -8.926 0.327 209 2HB GLU 30 2HB GLU 30 -14.456 -8.034 1.352 210 1HG GLU 30 1HG GLU 30 -15.106 -5.921 0.269 211 2HG GLU 30 2HG GLU 30 -16.261 -6.800 -0.752 212 H LEU 31 H LEU 31 -11.806 -6.579 -0.539 213 HA LEU 31 HA LEU 31 -12.817 -4.620 -2.498 214 1HB LEU 31 1HB LEU 31 -10.279 -4.531 -0.803 215 2HB LEU 31 2HB LEU 31 -11.042 -3.220 -1.646 216 HG LEU 31 HG LEU 31 -12.464 -4.617 0.672 217 1HD1 LEU 31 1HD1 LEU 31 -10.505 -3.654 1.586 218 2HD1 LEU 31 2HD1 LEU 31 -11.876 -2.614 1.982 219 3HD1 LEU 31 3HD1 LEU 31 -10.757 -2.116 0.706 220 1HD2 LEU 31 1HD2 LEU 31 -12.873 -1.855 -0.550 221 2HD2 LEU 31 2HD2 LEU 31 -13.866 -2.641 0.675 222 3HD2 LEU 31 3HD2 LEU 31 -13.864 -3.275 -0.985 223 H LEU 32 H LEU 32 -10.000 -6.698 -1.793 224 HA LEU 32 HA LEU 32 -8.722 -6.067 -4.355 225 1HB LEU 32 1HB LEU 32 -7.895 -8.358 -2.572 226 2HB LEU 32 2HB LEU 32 -6.941 -7.361 -3.657 227 HG LEU 32 HG LEU 32 -7.901 -6.663 -0.875 228 1HD1 LEU 32 1HD1 LEU 32 -5.981 -8.166 -1.074 229 2HD1 LEU 32 2HD1 LEU 32 -5.550 -6.606 -0.342 230 3HD1 LEU 32 3HD1 LEU 32 -5.152 -6.915 -2.034 231 1HD2 LEU 32 1HD2 LEU 32 -8.053 -4.572 -1.837 232 2HD2 LEU 32 2HD2 LEU 32 -6.670 -4.836 -2.929 233 3HD2 LEU 32 3HD2 LEU 32 -6.384 -4.590 -1.225 234 H VAL 33 H VAL 33 -8.525 -7.573 -6.088 235 HA VAL 33 HA VAL 33 -10.346 -9.930 -6.013 236 HB VAL 33 HB VAL 33 -10.319 -7.677 -8.072 237 1HG1 VAL 33 1HG1 VAL 33 -12.124 -10.120 -7.806 238 2HG1 VAL 33 2HG1 VAL 33 -12.319 -8.788 -8.971 239 3HG1 VAL 33 3HG1 VAL 33 -10.910 -9.837 -9.076 240 1HG2 VAL 33 1HG2 VAL 33 -11.391 -6.836 -6.069 241 2HG2 VAL 33 2HG2 VAL 33 -12.646 -7.220 -7.229 242 3HG2 VAL 33 3HG2 VAL 33 -12.337 -8.331 -5.878 243 H HIS 34 H HIS 34 -7.639 -8.187 -7.605 244 HA HIS 34 HA HIS 34 -6.819 -10.776 -8.839 245 1HB HIS 34 1HB HIS 34 -6.654 -7.956 -9.950 246 2HB HIS 34 2HB HIS 34 -5.971 -9.387 -10.722 247 HD1 HIS 34 HD1 HIS 34 -8.330 -11.408 -10.684 248 HD2 HIS 34 HD2 HIS 34 -8.795 -7.256 -11.206 249 HE1 HIS 34 HE1 HIS 34 -10.495 -11.080 -11.994 250 H SER 35 H SER 35 -4.599 -11.004 -9.187 251 HA SER 35 HA SER 35 -2.877 -10.302 -7.076 252 1HB SER 35 1HB SER 35 -2.788 -11.741 -9.570 253 2HB SER 35 2HB SER 35 -1.335 -10.721 -9.455 254 HG SER 35 HG SER 35 -0.904 -12.641 -8.450 255 H GLY 36 H GLY 36 -2.048 -8.479 -6.502 256 1HA GLY 36 1HA GLY 36 -0.561 -6.643 -7.041 257 2HA GLY 36 2HA GLY 36 -1.464 -6.421 -8.554 258 H ASP 37 H ASP 37 -4.060 -6.909 -6.830 259 HA ASP 37 HA ASP 37 -4.718 -4.128 -6.415 260 1HB ASP 37 1HB ASP 37 -5.985 -6.762 -5.606 261 2HB ASP 37 2HB ASP 37 -6.610 -5.251 -4.955 262 H PHE 38 H PHE 38 -4.228 -2.897 -4.620 263 HA PHE 38 HA PHE 38 -3.749 -4.284 -2.078 264 1HB PHE 38 1HB PHE 38 -1.699 -3.126 -1.623 265 2HB PHE 38 2HB PHE 38 -1.517 -3.947 -3.130 266 HD1 PHE 38 HD1 PHE 38 -1.088 -2.805 -5.192 267 HD2 PHE 38 HD2 PHE 38 -1.963 -0.551 -1.613 268 HE1 PHE 38 HE1 PHE 38 -0.853 -0.712 -6.412 269 HE2 PHE 38 HE2 PHE 38 -1.366 1.542 -2.798 270 HZ PHE 38 HZ PHE 38 -0.845 1.472 -5.239 271 H LEU 39 H LEU 39 -3.686 -2.717 -0.221 272 HA LEU 39 HA LEU 39 -4.958 -0.145 -0.579 273 1HB LEU 39 1HB LEU 39 -6.893 -0.467 0.708 274 2HB LEU 39 2HB LEU 39 -6.913 -1.703 -0.537 275 HG LEU 39 HG LEU 39 -5.743 -3.077 1.636 276 1HD1 LEU 39 1HD1 LEU 39 -7.059 -2.538 3.585 277 2HD1 LEU 39 2HD1 LEU 39 -7.681 -1.080 2.783 278 3HD1 LEU 39 3HD1 LEU 39 -5.943 -1.246 3.138 279 1HD2 LEU 39 1HD2 LEU 39 -8.167 -3.830 2.084 280 2HD2 LEU 39 2HD2 LEU 39 -7.524 -4.081 0.471 281 3HD2 LEU 39 3HD2 LEU 39 -8.600 -2.715 0.765 282 H VAL 40 H VAL 40 -4.563 1.135 1.244 283 HA VAL 40 HA VAL 40 -2.829 -0.139 3.322 284 HB VAL 40 HB VAL 40 -2.922 2.793 2.593 285 1HG1 VAL 40 1HG1 VAL 40 -1.191 1.129 4.480 286 2HG1 VAL 40 2HG1 VAL 40 -0.848 2.806 4.020 287 3HG1 VAL 40 3HG1 VAL 40 -2.322 2.434 4.929 288 1HG2 VAL 40 1HG2 VAL 40 -0.652 2.354 1.666 289 2HG2 VAL 40 2HG2 VAL 40 -0.835 0.630 2.012 290 3HG2 VAL 40 3HG2 VAL 40 -1.853 1.414 0.779 291 H ARG 41 H ARG 41 -3.544 -0.302 5.229 292 HA ARG 41 HA ARG 41 -6.062 1.022 6.031 293 1HB ARG 41 1HB ARG 41 -6.763 -1.126 7.063 294 2HB ARG 41 2HB ARG 41 -6.461 -1.315 5.322 295 1HG ARG 41 1HG ARG 41 -4.127 -2.100 5.968 296 2HG ARG 41 2HG ARG 41 -4.696 -2.265 7.627 297 1HD ARG 41 1HD ARG 41 -6.307 -3.552 5.397 298 2HD ARG 41 2HD ARG 41 -4.721 -4.211 5.785 299 HE ARG 41 HE ARG 41 -6.812 -3.780 7.855 300 1HH1 ARG 41 2HH1 ARG 41 -4.680 -6.141 6.206 301 2HH1 ARG 41 1HH1 ARG 41 -4.514 -7.135 7.625 302 1HH2 ARG 41 2HH2 ARG 41 -6.494 -5.006 9.630 303 2HH2 ARG 41 1HH2 ARG 41 -5.921 -6.640 9.585 304 H GLU 42 H GLU 42 -6.164 0.852 8.586 305 HA GLU 42 HA GLU 42 -3.477 1.064 9.814 306 1HB GLU 42 1HB GLU 42 -4.648 3.156 9.592 307 2HB GLU 42 2HB GLU 42 -6.080 2.528 10.355 308 1HG GLU 42 1HG GLU 42 -3.598 2.231 12.011 309 2HG GLU 42 2HG GLU 42 -3.917 3.878 11.534 310 H SER 43 H SER 43 -3.189 0.173 11.879 311 HA SER 43 HA SER 43 -4.420 -2.379 12.273 312 1HB SER 43 1HB SER 43 -1.982 -1.545 12.697 313 2HB SER 43 2HB SER 43 -2.626 -0.962 14.240 314 HG SER 43 HG SER 43 -1.786 -3.018 14.470 315 H GLN 44 H GLN 44 -4.862 -2.941 14.782 316 HA GLN 44 HA GLN 44 -7.321 -1.505 15.423 317 1HB GLN 44 1HB GLN 44 -7.483 -3.150 17.308 318 2HB GLN 44 2HB GLN 44 -7.501 -3.771 15.672 319 1HG GLN 44 1HG GLN 44 -5.170 -4.552 15.881 320 2HG GLN 44 2HG GLN 44 -5.077 -3.892 17.521 321 1HE2 GLN 44 2HE2 GLN 44 -5.538 -5.389 19.159 322 2HE2 GLN 44 1HE2 GLN 44 -6.572 -6.781 18.933 323 H GLY 45 H GLY 45 -6.677 0.645 15.998 324 1HA GLY 45 1HA GLY 45 -6.425 2.198 17.669 325 2HA GLY 45 2HA GLY 45 -6.221 0.885 18.822 326 H LYS 46 H LYS 46 -4.026 0.537 16.272 327 HA LYS 46 HA LYS 46 -1.894 2.088 17.644 328 1HB LYS 46 1HB LYS 46 -1.336 -0.246 15.783 329 2HB LYS 46 2HB LYS 46 -0.248 0.559 16.893 330 1HG LYS 46 1HG LYS 46 -2.518 -1.353 17.590 331 2HG LYS 46 2HG LYS 46 -0.786 -1.665 17.675 332 1HD LYS 46 1HD LYS 46 -0.554 0.024 19.484 333 2HD LYS 46 2HD LYS 46 -2.262 0.410 19.351 334 1HE LYS 46 1HE LYS 46 -2.767 -2.012 19.895 335 2HE LYS 46 2HE LYS 46 -1.046 -2.196 20.302 336 1HZ LYS 46 1HZ LYS 46 -1.344 -0.468 21.986 337 2HZ LYS 46 2HZ LYS 46 -2.516 -1.599 22.218 338 3HZ LYS 46 3HZ LYS 46 -2.871 -0.191 21.502 339 H GLN 47 H GLN 47 -1.197 3.674 16.403 340 HA GLN 47 HA GLN 47 -2.391 4.343 13.846 341 1HB GLN 47 1HB GLN 47 -0.133 5.590 15.483 342 2HB GLN 47 2HB GLN 47 -0.945 6.358 14.114 343 1HG GLN 47 1HG GLN 47 -3.030 6.511 15.327 344 2HG GLN 47 2HG GLN 47 -2.423 5.520 16.657 345 1HE2 GLN 47 2HE2 GLN 47 -0.944 6.450 18.229 346 2HE2 GLN 47 1HE2 GLN 47 -0.652 8.186 18.236 347 H GLU 48 H GLU 48 -1.303 1.920 13.446 348 HA GLU 48 HA GLU 48 1.285 2.259 12.029 349 1HB GLU 48 1HB GLU 48 1.790 1.118 13.957 350 2HB GLU 48 2HB GLU 48 0.281 0.186 13.973 351 1HG GLU 48 1HG GLU 48 1.032 -1.242 12.220 352 2HG GLU 48 2HG GLU 48 2.450 -0.220 11.900 353 H TYR 49 H TYR 49 1.054 1.902 10.039 354 HA TYR 49 HA TYR 49 -1.553 1.024 9.021 355 1HB TYR 49 1HB TYR 49 0.895 2.053 7.575 356 2HB TYR 49 2HB TYR 49 -0.614 1.648 6.774 357 HD1 TYR 49 HD1 TYR 49 -2.715 2.864 8.301 358 HD2 TYR 49 HD2 TYR 49 1.246 4.338 7.478 359 HE1 TYR 49 HE1 TYR 49 -3.441 5.191 8.870 360 HE2 TYR 49 HE2 TYR 49 0.518 6.632 7.903 361 HH TYR 49 HH TYR 49 -1.194 7.993 8.641 362 H VAL 50 H VAL 50 -1.684 -0.484 7.254 363 HA VAL 50 HA VAL 50 0.310 -2.685 7.261 364 HB VAL 50 HB VAL 50 -2.692 -2.776 7.577 365 1HG1 VAL 50 1HG1 VAL 50 -2.450 -5.301 7.549 366 2HG1 VAL 50 2HG1 VAL 50 -2.130 -4.514 5.998 367 3HG1 VAL 50 3HG1 VAL 50 -0.772 -5.073 6.995 368 1HG2 VAL 50 1HG2 VAL 50 -1.366 -2.562 9.711 369 2HG2 VAL 50 2HG2 VAL 50 -2.447 -3.960 9.599 370 3HG2 VAL 50 3HG2 VAL 50 -0.712 -4.172 9.306 371 H LEU 51 H LEU 51 0.863 -3.136 5.224 372 HA LEU 51 HA LEU 51 -0.631 -2.222 2.887 373 1HB LEU 51 1HB LEU 51 2.008 -2.616 3.216 374 2HB LEU 51 2HB LEU 51 1.589 -4.299 3.002 375 HG LEU 51 HG LEU 51 0.392 -3.557 0.832 376 1HD1 LEU 51 1HD1 LEU 51 1.066 -1.458 -0.146 377 2HD1 LEU 51 2HD1 LEU 51 2.304 -1.177 1.126 378 3HD1 LEU 51 3HD1 LEU 51 0.597 -1.037 1.509 379 1HD2 LEU 51 1HD2 LEU 51 2.444 -4.801 0.770 380 2HD2 LEU 51 2HD2 LEU 51 3.404 -3.334 1.089 381 3HD2 LEU 51 3HD2 LEU 51 2.478 -3.493 -0.435 382 H SER 52 H SER 52 -2.404 -3.542 2.118 383 HA SER 52 HA SER 52 -2.095 -6.422 2.610 384 1HB SER 52 1HB SER 52 -4.669 -4.881 3.048 385 2HB SER 52 2HB SER 52 -4.540 -6.649 2.846 386 HG SER 52 HG SER 52 -2.685 -5.733 4.545 387 H VAL 53 H VAL 53 -2.015 -7.491 0.782 388 HA VAL 53 HA VAL 53 -2.868 -6.202 -1.718 389 HB VAL 53 HB VAL 53 -0.713 -5.291 -1.336 390 1HG1 VAL 53 1HG1 VAL 53 0.160 -6.729 0.423 391 2HG1 VAL 53 2HG1 VAL 53 0.342 -8.064 -0.739 392 3HG1 VAL 53 3HG1 VAL 53 1.314 -6.581 -0.898 393 1HG2 VAL 53 1HG2 VAL 53 -0.265 -7.648 -3.219 394 2HG2 VAL 53 2HG2 VAL 53 -1.124 -6.166 -3.651 395 3HG2 VAL 53 3HG2 VAL 53 0.588 -6.092 -3.219 396 H LEU 54 H LEU 54 -3.540 -7.664 -3.214 397 HA LEU 54 HA LEU 54 -3.906 -10.463 -2.423 398 1HB LEU 54 1HB LEU 54 -5.577 -8.956 -3.480 399 2HB LEU 54 2HB LEU 54 -4.643 -9.010 -4.953 400 HG LEU 54 HG LEU 54 -6.387 -10.599 -5.189 401 1HD1 LEU 54 1HD1 LEU 54 -4.175 -11.455 -5.853 402 2HD1 LEU 54 2HD1 LEU 54 -5.508 -12.565 -5.649 403 3HD1 LEU 54 3HD1 LEU 54 -4.249 -12.457 -4.373 404 1HD2 LEU 54 1HD2 LEU 54 -5.815 -11.700 -2.449 405 2HD2 LEU 54 2HD2 LEU 54 -7.065 -12.251 -3.592 406 3HD2 LEU 54 3HD2 LEU 54 -7.164 -10.630 -2.918 407 H TRP 55 H TRP 55 -2.299 -11.951 -2.883 408 HA TRP 55 HA TRP 55 -0.997 -11.685 -5.506 409 1HB TRP 55 1HB TRP 55 0.492 -11.011 -3.445 410 2HB TRP 55 2HB TRP 55 0.601 -12.747 -3.195 411 HD1 TRP 55 HD1 TRP 55 2.920 -13.402 -4.091 412 HE1 TRP 55 HE1 TRP 55 4.336 -12.923 -6.222 413 HE3 TRP 55 HE3 TRP 55 -0.043 -9.854 -6.308 414 HZ2 TRP 55 HZ2 TRP 55 4.349 -10.933 -8.320 415 HZ3 TRP 55 HZ3 TRP 55 0.682 -8.727 -8.375 416 HH2 TRP 55 HH2 TRP 55 2.874 -9.310 -9.409 417 H ASP 56 H ASP 56 -2.006 -13.200 -6.565 418 HA ASP 56 HA ASP 56 -2.980 -15.137 -7.199 419 1HB ASP 56 1HB ASP 56 -0.763 -15.854 -7.365 420 2HB ASP 56 2HB ASP 56 -0.597 -16.058 -5.627 421 H GLY 57 H GLY 57 -4.654 -14.097 -5.740 422 1HA GLY 57 1HA GLY 57 -6.596 -14.441 -4.715 423 2HA GLY 57 2HA GLY 57 -6.213 -16.140 -4.589 424 H LEU 58 H LEU 58 -3.735 -14.429 -3.186 425 HA LEU 58 HA LEU 58 -4.934 -14.820 -0.482 426 1HB LEU 58 1HB LEU 58 -3.017 -16.308 -1.268 427 2HB LEU 58 2HB LEU 58 -1.982 -14.901 -1.071 428 HG LEU 58 HG LEU 58 -1.852 -16.359 0.842 429 1HD1 LEU 58 1HD1 LEU 58 -1.775 -13.842 1.235 430 2HD1 LEU 58 2HD1 LEU 58 -2.097 -14.863 2.646 431 3HD1 LEU 58 3HD1 LEU 58 -3.422 -13.980 1.878 432 1HD2 LEU 58 1HD2 LEU 58 -3.682 -16.969 2.237 433 2HD2 LEU 58 2HD2 LEU 58 -4.146 -17.348 0.584 434 3HD2 LEU 58 3HD2 LEU 58 -4.818 -15.916 1.391 435 HA PRO 59 HA PRO 59 -4.132 -10.302 -0.309 436 1HB PRO 59 1HB PRO 59 -5.751 -9.767 1.789 437 2HB PRO 59 2HB PRO 59 -6.397 -10.068 0.140 438 1HG PRO 59 1HG PRO 59 -6.143 -12.049 2.421 439 2HG PRO 59 2HG PRO 59 -7.575 -11.695 1.375 440 1HD PRO 59 1HD PRO 59 -5.867 -13.761 0.984 441 2HD PRO 59 2HD PRO 59 -6.667 -12.920 -0.379 442 H ARG 60 H ARG 60 -1.938 -10.973 0.208 443 HA ARG 60 HA ARG 60 -1.056 -11.824 2.798 444 1HB ARG 60 1HB ARG 60 0.349 -10.113 0.742 445 2HB ARG 60 2HB ARG 60 1.142 -10.935 2.074 446 1HG ARG 60 1HG ARG 60 -0.371 -12.469 -0.084 447 2HG ARG 60 2HG ARG 60 1.319 -12.003 -0.238 448 1HD ARG 60 1HD ARG 60 1.976 -13.322 1.675 449 2HD ARG 60 2HD ARG 60 0.321 -13.462 2.228 450 HE ARG 60 HE ARG 60 0.333 -15.466 1.292 451 1HH1 ARG 60 2HH1 ARG 60 2.180 -13.499 -1.054 452 2HH1 ARG 60 1HH1 ARG 60 1.896 -14.665 -2.332 453 1HH2 ARG 60 2HH2 ARG 60 0.052 -16.964 -0.502 454 2HH2 ARG 60 1HH2 ARG 60 0.677 -16.500 -2.033 455 H HIS 61 H HIS 61 -0.059 -10.522 4.444 456 HA HIS 61 HA HIS 61 -0.829 -7.639 4.448 457 1HB HIS 61 1HB HIS 61 -1.413 -7.891 6.856 458 2HB HIS 61 2HB HIS 61 -2.530 -8.614 5.705 459 HD1 HIS 61 HD1 HIS 61 0.345 -9.874 8.003 460 HD2 HIS 61 HD2 HIS 61 -2.987 -11.166 5.837 461 HE1 HIS 61 HE1 HIS 61 -0.095 -12.226 8.778 462 H PHE 62 H PHE 62 1.081 -6.648 4.220 463 HA PHE 62 HA PHE 62 3.321 -7.419 6.019 464 1HB PHE 62 1HB PHE 62 3.476 -5.643 3.565 465 2HB PHE 62 2HB PHE 62 4.792 -6.336 4.494 466 HD1 PHE 62 HD1 PHE 62 5.293 -8.838 4.254 467 HD2 PHE 62 HD2 PHE 62 2.298 -6.866 1.871 468 HE1 PHE 62 HE1 PHE 62 5.174 -10.818 2.758 469 HE2 PHE 62 HE2 PHE 62 2.204 -8.804 0.376 470 HZ PHE 62 HZ PHE 62 3.566 -10.847 0.830 471 H ILE 63 H ILE 63 3.388 -6.148 7.861 472 HA ILE 63 HA ILE 63 1.850 -3.739 8.218 473 HB ILE 63 HB ILE 63 4.175 -5.037 9.637 474 1HG1 ILE 63 1HG1 ILE 63 1.662 -5.739 9.802 475 2HG1 ILE 63 2HG1 ILE 63 2.638 -5.646 11.251 476 1HG2 ILE 63 1HG2 ILE 63 4.775 -2.773 10.001 477 2HG2 ILE 63 2HG2 ILE 63 3.088 -2.267 10.234 478 3HG2 ILE 63 3HG2 ILE 63 3.900 -3.270 11.452 479 1HD1 ILE 63 1HD1 ILE 63 0.895 -3.289 10.400 480 2HD1 ILE 63 2HD1 ILE 63 0.256 -4.632 11.356 481 3HD1 ILE 63 3HD1 ILE 63 1.573 -3.645 11.998 482 H ILE 64 H ILE 64 2.411 -1.548 7.904 483 HA ILE 64 HA ILE 64 4.267 -1.093 5.765 484 HB ILE 64 HB ILE 64 2.703 0.744 7.582 485 1HG1 ILE 64 1HG1 ILE 64 1.386 -0.610 6.005 486 2HG1 ILE 64 2HG1 ILE 64 1.280 1.102 5.659 487 1HG2 ILE 64 1HG2 ILE 64 3.170 2.586 6.056 488 2HG2 ILE 64 2HG2 ILE 64 4.579 2.083 6.965 489 3HG2 ILE 64 3HG2 ILE 64 4.428 1.626 5.251 490 1HD1 ILE 64 1HD1 ILE 64 2.786 0.907 3.795 491 2HD1 ILE 64 2HD1 ILE 64 2.969 -0.839 4.083 492 3HD1 ILE 64 3HD1 ILE 64 1.381 -0.167 3.645 493 H GLN 65 H GLN 65 6.055 -0.115 5.737 494 HA GLN 65 HA GLN 65 8.017 -0.968 7.553 495 1HB GLN 65 1HB GLN 65 8.465 1.277 5.551 496 2HB GLN 65 2HB GLN 65 9.585 0.015 6.018 497 1HG GLN 65 1HG GLN 65 8.884 -0.833 3.953 498 2HG GLN 65 2HG GLN 65 7.637 -1.558 4.904 499 1HE2 GLN 65 2HE2 GLN 65 8.434 1.235 2.718 500 2HE2 GLN 65 1HE2 GLN 65 6.760 1.536 2.319 501 H SER 66 H SER 66 9.799 0.566 8.401 502 HA SER 66 HA SER 66 9.395 3.280 8.902 503 1HB SER 66 1HB SER 66 7.696 2.629 10.480 504 2HB SER 66 2HB SER 66 8.706 1.310 11.095 505 HG SER 66 HG SER 66 8.748 2.973 12.545 506 H LEU 67 H LEU 67 11.345 3.975 9.526 507 HA LEU 67 HA LEU 67 13.420 2.096 10.499 508 1HB LEU 67 1HB LEU 67 15.141 3.438 9.159 509 2HB LEU 67 2HB LEU 67 14.291 2.114 8.393 510 HG LEU 67 HG LEU 67 13.379 5.004 8.063 511 1HD1 LEU 67 1HD1 LEU 67 15.404 3.401 6.432 512 2HD1 LEU 67 2HD1 LEU 67 15.681 4.923 7.309 513 3HD1 LEU 67 3HD1 LEU 67 14.661 4.906 5.866 514 1HD2 LEU 67 1HD2 LEU 67 12.633 2.387 6.865 515 2HD2 LEU 67 2HD2 LEU 67 12.680 3.791 5.757 516 3HD2 LEU 67 3HD2 LEU 67 11.661 3.782 7.194 517 H ASP 68 H ASP 68 12.915 5.578 9.769 518 HA ASP 68 HA ASP 68 13.500 6.220 12.609 519 1HB ASP 68 1HB ASP 68 14.933 7.318 10.180 520 2HB ASP 68 2HB ASP 68 14.678 8.322 11.609 521 H ASN 69 H ASN 69 12.986 8.059 9.593 522 HA ASN 69 HA ASN 69 10.332 8.931 10.481 523 1HB ASN 69 1HB ASN 69 10.851 11.183 9.833 524 2HB ASN 69 2HB ASN 69 12.035 10.593 11.017 525 1HD2 ASN 69 2HD2 ASN 69 14.193 10.891 10.542 526 2HD2 ASN 69 1HD2 ASN 69 14.786 11.264 8.928 527 H LEU 70 H LEU 70 11.416 6.959 8.485 528 HA LEU 70 HA LEU 70 10.176 7.947 5.957 529 1HB LEU 70 1HB LEU 70 12.654 6.210 6.084 530 2HB LEU 70 2HB LEU 70 12.014 7.007 4.686 531 HG LEU 70 HG LEU 70 13.153 8.588 7.016 532 1HD1 LEU 70 1HD1 LEU 70 14.653 7.422 4.652 533 2HD1 LEU 70 2HD1 LEU 70 14.890 7.103 6.398 534 3HD1 LEU 70 3HD1 LEU 70 15.265 8.685 5.740 535 1HD2 LEU 70 1HD2 LEU 70 13.562 10.262 5.220 536 2HD2 LEU 70 2HD2 LEU 70 11.850 9.924 5.493 537 3HD2 LEU 70 3HD2 LEU 70 12.691 9.235 4.069 538 H TYR 71 H TYR 71 10.215 5.841 4.433 539 HA TYR 71 HA TYR 71 9.416 3.401 5.971 540 1HB TYR 71 1HB TYR 71 7.925 4.407 3.488 541 2HB TYR 71 2HB TYR 71 7.420 3.162 4.622 542 HD1 TYR 71 HD1 TYR 71 6.687 3.813 6.932 543 HD2 TYR 71 HD2 TYR 71 7.482 6.744 3.893 544 HE1 TYR 71 HE1 TYR 71 5.678 5.469 8.358 545 HE2 TYR 71 HE2 TYR 71 6.472 8.495 5.308 546 HH TYR 71 HH TYR 71 5.919 8.994 7.515 547 H ARG 72 H ARG 72 10.675 1.649 5.117 548 HA ARG 72 HA ARG 72 11.601 1.801 2.303 549 1HB ARG 72 1HB ARG 72 13.748 0.956 2.883 550 2HB ARG 72 2HB ARG 72 13.453 2.474 3.697 551 1HG ARG 72 1HG ARG 72 14.231 1.462 5.546 552 2HG ARG 72 2HG ARG 72 12.677 0.642 5.631 553 1HD ARG 72 1HD ARG 72 14.064 -1.151 5.792 554 2HD ARG 72 2HD ARG 72 13.826 -1.135 4.048 555 HE ARG 72 HE ARG 72 16.050 -0.570 3.763 556 1HH1 ARG 72 2HH1 ARG 72 15.228 -0.172 7.242 557 2HH1 ARG 72 1HH1 ARG 72 16.853 0.100 7.704 558 1HH2 ARG 72 2HH2 ARG 72 18.162 0.021 4.433 559 2HH2 ARG 72 1HH2 ARG 72 18.542 0.295 6.105 560 H LEU 73 H LEU 73 10.771 0.147 1.216 561 HA LEU 73 HA LEU 73 10.041 -2.308 2.779 562 1HB LEU 73 1HB LEU 73 8.326 -0.960 1.343 563 2HB LEU 73 2HB LEU 73 9.086 -1.756 -0.049 564 HG LEU 73 HG LEU 73 8.544 -3.918 0.685 565 1HD1 LEU 73 1HD1 LEU 73 8.516 -3.718 3.194 566 2HD1 LEU 73 2HD1 LEU 73 6.996 -4.353 2.561 567 3HD1 LEU 73 3HD1 LEU 73 7.089 -2.657 3.051 568 1HD2 LEU 73 1HD2 LEU 73 6.190 -2.028 0.882 569 2HD2 LEU 73 2HD2 LEU 73 6.153 -3.735 0.366 570 3HD2 LEU 73 3HD2 LEU 73 7.023 -2.535 -0.615 571 H GLU 74 H GLU 74 12.074 -1.199 0.231 572 HA GLU 74 HA GLU 74 13.109 -3.930 -0.170 573 1HB GLU 74 1HB GLU 74 11.394 -3.548 -1.874 574 2HB GLU 74 2HB GLU 74 12.158 -2.056 -2.379 575 1HG GLU 74 1HG GLU 74 12.595 -3.968 -3.913 576 2HG GLU 74 2HG GLU 74 14.058 -3.220 -3.284 577 H GLY 75 H GLY 75 13.475 -0.543 -1.397 578 1HA GLY 75 1HA GLY 75 16.413 -0.822 -1.402 579 2HA GLY 75 2HA GLY 75 15.398 0.308 -2.298 580 H GLU 76 H GLU 76 15.801 2.332 -1.660 581 HA GLU 76 HA GLU 76 16.750 3.123 0.969 582 1HB GLU 76 1HB GLU 76 16.708 5.339 0.064 583 2HB GLU 76 2HB GLU 76 17.320 4.272 -1.192 584 1HG GLU 76 1HG GLU 76 15.070 4.255 -2.275 585 2HG GLU 76 2HG GLU 76 14.487 5.399 -1.049 586 H GLY 77 H GLY 77 15.436 5.106 1.975 587 1HA GLY 77 1HA GLY 77 12.666 4.170 2.447 588 2HA GLY 77 2HA GLY 77 13.607 5.274 3.454 589 H PHE 78 H PHE 78 10.902 5.788 2.310 590 HA PHE 78 HA PHE 78 11.676 8.344 0.996 591 1HB PHE 78 1HB PHE 78 9.295 6.575 0.383 592 2HB PHE 78 2HB PHE 78 9.180 8.305 0.213 593 HD1 PHE 78 HD1 PHE 78 10.283 9.545 -1.552 594 HD2 PHE 78 HD2 PHE 78 11.003 5.314 -1.034 595 HE1 PHE 78 HE1 PHE 78 11.374 9.448 -3.772 596 HE2 PHE 78 HE2 PHE 78 12.068 5.233 -3.279 597 HZ PHE 78 HZ PHE 78 12.246 7.303 -4.638 598 HA PRO 79 HA PRO 79 9.878 10.179 4.611 599 1HB PRO 79 1HB PRO 79 9.095 12.634 3.642 600 2HB PRO 79 2HB PRO 79 10.821 12.164 3.838 601 1HG PRO 79 1HG PRO 79 9.069 12.029 1.356 602 2HG PRO 79 2HG PRO 79 10.711 12.740 1.501 603 1HD PRO 79 1HD PRO 79 10.330 10.254 0.543 604 2HD PRO 79 2HD PRO 79 11.723 10.623 1.604 605 H SER 80 H SER 80 7.908 9.496 1.819 606 HA SER 80 HA SER 80 5.461 9.672 3.470 607 1HB SER 80 1HB SER 80 5.505 10.500 0.558 608 2HB SER 80 2HB SER 80 4.223 10.678 1.671 609 HG SER 80 HG SER 80 6.525 12.232 1.464 610 H ILE 81 H ILE 81 3.936 8.116 2.870 611 HA ILE 81 HA ILE 81 5.080 5.654 1.786 612 HB ILE 81 HB ILE 81 2.251 6.341 2.681 613 1HG1 ILE 81 1HG1 ILE 81 4.371 4.551 3.968 614 2HG1 ILE 81 2HG1 ILE 81 4.191 6.245 4.405 615 1HG2 ILE 81 1HG2 ILE 81 2.164 4.550 0.995 616 2HG2 ILE 81 2HG2 ILE 81 3.417 3.654 1.880 617 3HG2 ILE 81 3HG2 ILE 81 1.813 3.920 2.595 618 1HD1 ILE 81 1HD1 ILE 81 2.033 4.154 4.812 619 2HD1 ILE 81 2HD1 ILE 81 3.114 4.846 6.038 620 3HD1 ILE 81 3HD1 ILE 81 1.937 5.878 5.237 621 HA PRO 82 HA PRO 82 2.136 6.590 -1.813 622 1HB PRO 82 1HB PRO 82 1.484 9.209 -2.459 623 2HB PRO 82 2HB PRO 82 0.499 8.109 -1.445 624 1HG PRO 82 1HG PRO 82 2.358 10.266 -0.551 625 2HG PRO 82 2HG PRO 82 0.786 9.820 0.140 626 1HD PRO 82 1HD PRO 82 3.037 9.054 1.261 627 2HD PRO 82 2HD PRO 82 1.631 7.985 1.281 628 H LEU 83 H LEU 83 4.792 8.636 -1.005 629 HA LEU 83 HA LEU 83 5.806 9.112 -3.662 630 1HB LEU 83 1HB LEU 83 6.803 9.323 -0.845 631 2HB LEU 83 2HB LEU 83 8.021 9.116 -2.086 632 HG LEU 83 HG LEU 83 5.896 11.263 -2.355 633 1HD1 LEU 83 1HD1 LEU 83 7.582 12.875 -1.477 634 2HD1 LEU 83 2HD1 LEU 83 8.620 11.507 -1.008 635 3HD1 LEU 83 3HD1 LEU 83 7.051 11.747 -0.238 636 1HD2 LEU 83 1HD2 LEU 83 7.290 10.588 -4.348 637 2HD2 LEU 83 2HD2 LEU 83 8.716 11.158 -3.463 638 3HD2 LEU 83 3HD2 LEU 83 7.383 12.280 -3.859 639 H LEU 84 H LEU 84 6.372 6.552 -1.291 640 HA LEU 84 HA LEU 84 8.206 5.215 -3.090 641 1HB LEU 84 1HB LEU 84 8.138 4.987 -0.681 642 2HB LEU 84 2HB LEU 84 6.501 4.297 -0.736 643 HG LEU 84 HG LEU 84 7.201 2.316 -1.908 644 1HD1 LEU 84 1HD1 LEU 84 9.996 3.497 -1.834 645 2HD1 LEU 84 2HD1 LEU 84 9.086 2.939 -3.235 646 3HD1 LEU 84 3HD1 LEU 84 9.683 1.768 -2.061 647 1HD2 LEU 84 1HD2 LEU 84 8.493 1.299 -0.040 648 2HD2 LEU 84 2HD2 LEU 84 7.028 2.198 0.407 649 3HD2 LEU 84 3HD2 LEU 84 8.625 2.929 0.671 650 H ILE 85 H ILE 85 4.667 5.041 -2.520 651 HA ILE 85 HA ILE 85 4.268 2.586 -3.843 652 HB ILE 85 HB ILE 85 2.431 4.982 -3.515 653 1HG1 ILE 85 1HG1 ILE 85 2.972 3.866 -1.410 654 2HG1 ILE 85 2HG1 ILE 85 1.311 3.550 -1.849 655 1HG2 ILE 85 1HG2 ILE 85 1.813 2.278 -4.745 656 2HG2 ILE 85 2HG2 ILE 85 0.567 3.360 -4.084 657 3HG2 ILE 85 3HG2 ILE 85 1.566 3.878 -5.448 658 1HD1 ILE 85 1HD1 ILE 85 2.024 1.266 -2.693 659 2HD1 ILE 85 2HD1 ILE 85 3.658 1.618 -2.047 660 3HD1 ILE 85 3HD1 ILE 85 2.269 1.527 -0.975 661 H ASP 86 H ASP 86 4.684 5.862 -5.358 662 HA ASP 86 HA ASP 86 4.046 4.700 -7.933 663 1HB ASP 86 1HB ASP 86 4.186 7.214 -7.228 664 2HB ASP 86 2HB ASP 86 5.866 7.099 -7.744 665 H HIS 87 H HIS 87 7.049 5.182 -6.141 666 HA HIS 87 HA HIS 87 8.795 4.246 -8.203 667 1HB HIS 87 1HB HIS 87 9.190 4.375 -5.201 668 2HB HIS 87 2HB HIS 87 10.456 4.048 -6.343 669 HD1 HIS 87 HD1 HIS 87 8.234 7.134 -5.459 670 HD2 HIS 87 HD2 HIS 87 11.700 5.860 -7.400 671 HE1 HIS 87 HE1 HIS 87 9.440 9.260 -6.193 672 H LEU 88 H LEU 88 6.579 2.497 -6.339 673 HA LEU 88 HA LEU 88 8.006 -0.071 -6.858 674 1HB LEU 88 1HB LEU 88 5.781 0.732 -4.967 675 2HB LEU 88 2HB LEU 88 6.099 -0.938 -5.425 676 HG LEU 88 HG LEU 88 7.497 0.939 -3.638 677 1HD1 LEU 88 1HD1 LEU 88 7.346 -2.096 -3.934 678 2HD1 LEU 88 2HD1 LEU 88 6.201 -1.118 -2.982 679 3HD1 LEU 88 3HD1 LEU 88 7.899 -1.270 -2.449 680 1HD2 LEU 88 1HD2 LEU 88 9.245 -1.073 -5.116 681 2HD2 LEU 88 2HD2 LEU 88 9.689 -0.239 -3.620 682 3HD2 LEU 88 3HD2 LEU 88 9.444 0.695 -5.084 683 H LEU 89 H LEU 89 4.989 1.808 -7.410 684 HA LEU 89 HA LEU 89 3.657 -0.434 -8.700 685 1HB LEU 89 1HB LEU 89 2.526 1.552 -7.451 686 2HB LEU 89 2HB LEU 89 2.835 2.470 -8.909 687 HG LEU 89 HG LEU 89 1.636 0.300 -9.994 688 1HD1 LEU 89 1HD1 LEU 89 0.832 0.064 -7.283 689 2HD1 LEU 89 2HD1 LEU 89 1.169 -1.116 -8.626 690 3HD1 LEU 89 3HD1 LEU 89 -0.363 -0.256 -8.577 691 1HD2 LEU 89 1HD2 LEU 89 0.754 2.695 -10.145 692 2HD2 LEU 89 2HD2 LEU 89 -0.013 2.422 -8.557 693 3HD2 LEU 89 3HD2 LEU 89 -0.528 1.476 -9.969 694 H SER 90 H SER 90 5.634 2.324 -9.713 695 HA SER 90 HA SER 90 4.878 1.995 -12.493 696 1HB SER 90 1HB SER 90 5.587 4.189 -11.319 697 2HB SER 90 2HB SER 90 7.249 3.583 -11.443 698 HG SER 90 HG SER 90 5.428 4.442 -13.393 699 H THR 91 H THR 91 7.189 0.593 -10.230 700 HA THR 91 HA THR 91 8.998 -0.258 -12.395 701 HB THR 91 HB THR 91 10.640 -0.533 -10.729 702 HG1 THR 91 HG1 THR 91 9.673 -1.550 -9.162 703 1HG2 THR 91 1HG2 THR 91 9.063 1.938 -9.818 704 2HG2 THR 91 2HG2 THR 91 10.182 1.876 -11.204 705 3HG2 THR 91 3HG2 THR 91 10.769 1.616 -9.552 706 H GLN 92 H GLN 92 6.725 -1.518 -10.001 707 HA GLN 92 HA GLN 92 5.823 -3.544 -9.645 708 1HB GLN 92 1HB GLN 92 7.032 -4.720 -12.143 709 2HB GLN 92 2HB GLN 92 5.506 -5.099 -11.373 710 1HG GLN 92 1HG GLN 92 6.105 -2.516 -12.896 711 2HG GLN 92 2HG GLN 92 5.339 -3.944 -13.571 712 1HE2 GLN 92 2HE2 GLN 92 4.543 -2.640 -10.295 713 2HE2 GLN 92 1HE2 GLN 92 2.942 -2.257 -10.744 714 H GLN 93 H GLN 93 7.957 -2.850 -8.373 715 HA GLN 93 HA GLN 93 10.065 -4.898 -8.318 716 1HB GLN 93 1HB GLN 93 9.468 -2.344 -6.895 717 2HB GLN 93 2HB GLN 93 10.335 -3.528 -5.920 718 1HG GLN 93 1HG GLN 93 12.088 -3.729 -7.600 719 2HG GLN 93 2HG GLN 93 11.248 -2.612 -8.667 720 1HE2 GLN 93 2HE2 GLN 93 10.807 -0.334 -7.805 721 2HE2 GLN 93 1HE2 GLN 93 12.062 0.322 -6.832 722 HA PRO 94 HA PRO 94 8.242 -7.637 -5.359 723 1HB PRO 94 1HB PRO 94 10.455 -8.583 -3.969 724 2HB PRO 94 2HB PRO 94 9.899 -9.151 -5.567 725 1HG PRO 94 1HG PRO 94 12.118 -7.232 -4.915 726 2HG PRO 94 2HG PRO 94 12.031 -8.439 -6.223 727 1HD PRO 94 1HD PRO 94 11.566 -5.693 -6.531 728 2HD PRO 94 2HD PRO 94 10.913 -6.945 -7.617 729 H LEU 95 H LEU 95 7.498 -7.656 -3.257 730 HA LEU 95 HA LEU 95 7.976 -5.229 -1.617 731 1HB LEU 95 1HB LEU 95 5.920 -7.434 -1.355 732 2HB LEU 95 2HB LEU 95 5.952 -5.997 -0.397 733 HG LEU 95 HG LEU 95 5.291 -6.313 -3.329 734 1HD1 LEU 95 1HD1 LEU 95 3.576 -6.597 -1.552 735 2HD1 LEU 95 2HD1 LEU 95 3.219 -5.224 -2.625 736 3HD1 LEU 95 3HD1 LEU 95 3.940 -4.962 -1.019 737 1HD2 LEU 95 1HD2 LEU 95 5.826 -3.634 -2.040 738 2HD2 LEU 95 2HD2 LEU 95 5.111 -3.920 -3.638 739 3HD2 LEU 95 3HD2 LEU 95 6.780 -4.393 -3.340 740 H THR 96 H THR 96 8.779 -8.660 -1.403 741 HA THR 96 HA THR 96 10.593 -7.827 0.552 742 HB THR 96 HB THR 96 9.338 -8.246 2.378 743 HG1 THR 96 HG1 THR 96 9.940 -10.031 3.353 744 1HG2 THR 96 1HG2 THR 96 7.940 -10.618 1.104 745 2HG2 THR 96 2HG2 THR 96 7.228 -8.998 1.420 746 3HG2 THR 96 3HG2 THR 96 7.697 -10.037 2.761 747 H LYS 97 H LYS 97 12.342 -9.310 0.694 748 HA LYS 97 HA LYS 97 12.949 -10.694 -1.675 749 1HB LYS 97 1HB LYS 97 14.374 -9.803 0.512 750 2HB LYS 97 2HB LYS 97 14.242 -11.510 0.918 751 1HG LYS 97 1HG LYS 97 16.232 -11.491 -0.234 752 2HG LYS 97 2HG LYS 97 15.119 -11.900 -1.527 753 1HD LYS 97 1HD LYS 97 16.385 -9.198 -0.895 754 2HD LYS 97 2HD LYS 97 16.682 -10.196 -2.323 755 1HE LYS 97 1HE LYS 97 14.345 -9.801 -3.085 756 2HE LYS 97 2HE LYS 97 14.047 -8.828 -1.632 757 1HZ LYS 97 1HZ LYS 97 15.873 -7.368 -2.424 758 2HZ LYS 97 2HZ LYS 97 14.474 -7.323 -3.225 759 3HZ LYS 97 3HZ LYS 97 15.763 -8.120 -3.896 760 H LYS 98 H LYS 98 11.080 -11.727 1.000 761 HA LYS 98 HA LYS 98 11.332 -14.598 0.305 762 1HB LYS 98 1HB LYS 98 9.398 -13.207 2.212 763 2HB LYS 98 2HB LYS 98 9.508 -14.949 1.925 764 1HG LYS 98 1HG LYS 98 10.851 -14.858 3.769 765 2HG LYS 98 2HG LYS 98 12.102 -14.522 2.557 766 1HD LYS 98 1HD LYS 98 11.527 -12.067 2.859 767 2HD LYS 98 2HD LYS 98 10.535 -12.509 4.218 768 1HE LYS 98 1HE LYS 98 13.544 -12.920 3.863 769 2HE LYS 98 2HE LYS 98 12.801 -11.670 4.851 770 1HZ LYS 98 1HZ LYS 98 11.971 -13.427 6.332 771 2HZ LYS 98 2HZ LYS 98 13.595 -13.456 6.166 772 3HZ LYS 98 3HZ LYS 98 12.697 -14.580 5.390 773 H SER 99 H SER 99 8.365 -12.685 0.713 774 HA SER 99 HA SER 99 7.187 -14.557 -0.820 775 1HB SER 99 1HB SER 99 6.127 -11.924 0.246 776 2HB SER 99 2HB SER 99 5.087 -13.149 -0.499 777 HG SER 99 HG SER 99 5.578 -14.553 1.029 778 H GLY 100 H GLY 100 8.683 -11.734 -2.101 779 1HA GLY 100 1HA GLY 100 8.807 -10.808 -4.142 780 2HA GLY 100 2HA GLY 100 8.430 -12.407 -4.743 781 H VAL 101 H VAL 101 6.033 -10.599 -2.849 782 HA VAL 101 HA VAL 101 4.032 -10.391 -4.882 783 HB VAL 101 HB VAL 101 4.562 -8.688 -2.433 784 1HG1 VAL 101 1HG1 VAL 101 2.944 -7.591 -3.780 785 2HG1 VAL 101 2HG1 VAL 101 2.019 -9.093 -4.023 786 3HG1 VAL 101 3HG1 VAL 101 2.110 -8.324 -2.418 787 1HG2 VAL 101 1HG2 VAL 101 3.067 -10.042 -1.196 788 2HG2 VAL 101 2HG2 VAL 101 2.830 -11.158 -2.565 789 3HG2 VAL 101 3HG2 VAL 101 4.407 -11.033 -1.752 790 H VAL 102 H VAL 102 3.537 -8.523 -6.279 791 HA VAL 102 HA VAL 102 5.297 -6.193 -5.921 792 HB VAL 102 HB VAL 102 5.746 -5.891 -8.131 793 1HG1 VAL 102 1HG1 VAL 102 7.056 -7.784 -7.279 794 2HG1 VAL 102 2HG1 VAL 102 5.890 -8.911 -8.004 795 3HG1 VAL 102 3HG1 VAL 102 6.841 -7.827 -9.030 796 1HG2 VAL 102 1HG2 VAL 102 4.612 -7.689 -9.877 797 2HG2 VAL 102 2HG2 VAL 102 3.269 -7.241 -8.798 798 3HG2 VAL 102 3HG2 VAL 102 4.174 -6.002 -9.652 799 H LEU 103 H LEU 103 4.263 -4.194 -6.436 800 HA LEU 103 HA LEU 103 1.420 -3.885 -6.062 801 1HB LEU 103 1HB LEU 103 3.722 -2.166 -7.107 802 2HB LEU 103 2HB LEU 103 2.154 -1.542 -6.962 803 HG LEU 103 HG LEU 103 4.181 -2.219 -4.859 804 1HD1 LEU 103 1HD1 LEU 103 3.577 -0.035 -4.007 805 2HD1 LEU 103 2HD1 LEU 103 2.092 -0.004 -4.995 806 3HD1 LEU 103 3HD1 LEU 103 3.672 0.102 -5.771 807 1HD2 LEU 103 1HD2 LEU 103 1.259 -2.121 -4.076 808 2HD2 LEU 103 2HD2 LEU 103 2.645 -2.127 -2.979 809 3HD2 LEU 103 3HD2 LEU 103 2.314 -3.545 -3.975 810 H HIS 104 H HIS 104 -0.053 -3.429 -7.754 811 HA HIS 104 HA HIS 104 0.945 -3.044 -10.481 812 1HB HIS 104 1HB HIS 104 -0.034 -5.647 -9.631 813 2HB HIS 104 2HB HIS 104 -1.018 -5.015 -10.935 814 HD1 HIS 104 HD1 HIS 104 1.062 -3.951 -13.019 815 HD2 HIS 104 HD2 HIS 104 1.558 -7.371 -10.574 816 HE1 HIS 104 HE1 HIS 104 2.754 -5.387 -14.153 817 H ARG 105 H ARG 105 -1.825 -3.335 -8.201 818 HA ARG 105 HA ARG 105 -3.228 -1.279 -9.775 819 1HB ARG 105 1HB ARG 105 -3.974 -3.689 -10.371 820 2HB ARG 105 2HB ARG 105 -4.559 -3.804 -8.716 821 1HG ARG 105 1HG ARG 105 -6.458 -3.215 -10.021 822 2HG ARG 105 2HG ARG 105 -6.002 -1.722 -9.218 823 1HD ARG 105 1HD ARG 105 -4.624 -1.212 -11.323 824 2HD ARG 105 2HD ARG 105 -5.446 -2.579 -12.091 825 HE ARG 105 HE ARG 105 -7.484 -1.039 -11.081 826 1HH1 ARG 105 2HH1 ARG 105 -4.669 -0.339 -13.149 827 2HH1 ARG 105 1HH1 ARG 105 -5.415 0.938 -14.028 828 1HH2 ARG 105 2HH2 ARG 105 -8.526 0.723 -12.269 829 2HH2 ARG 105 1HH2 ARG 105 -7.595 1.620 -13.420 830 H ALA 106 H ALA 106 -4.592 0.043 -8.537 831 HA ALA 106 HA ALA 106 -4.379 -0.315 -5.576 832 1HB ALA 106 1HB ALA 106 -3.080 1.604 -6.373 833 2HB ALA 106 2HB ALA 106 -4.499 2.231 -7.237 834 3HB ALA 106 3HB ALA 106 -4.539 2.113 -5.460 835 H VAL 107 H VAL 107 -6.306 -0.766 -4.641 836 HA VAL 107 HA VAL 107 -8.854 -0.578 -6.023 837 HB VAL 107 HB VAL 107 -8.009 -0.923 -3.096 838 1HG1 VAL 107 1HG1 VAL 107 -10.413 -0.091 -3.435 839 2HG1 VAL 107 2HG1 VAL 107 -10.736 -1.673 -4.195 840 3HG1 VAL 107 3HG1 VAL 107 -10.147 -1.533 -2.503 841 1HG2 VAL 107 1HG2 VAL 107 -8.700 -3.319 -3.506 842 2HG2 VAL 107 2HG2 VAL 107 -8.732 -2.959 -5.240 843 3HG2 VAL 107 3HG2 VAL 107 -7.211 -2.813 -4.323 844 HA PRO 108 HA PRO 108 -9.167 3.669 -4.712 845 1HB PRO 108 1HB PRO 108 -11.297 4.472 -6.160 846 2HB PRO 108 2HB PRO 108 -9.671 4.296 -6.887 847 1HG PRO 108 1HG PRO 108 -11.997 2.347 -7.071 848 2HG PRO 108 2HG PRO 108 -10.772 2.732 -8.316 849 1HD PRO 108 1HD PRO 108 -10.786 0.539 -6.547 850 2HD PRO 108 2HD PRO 108 -9.404 1.101 -7.533 851 H SER 109 H SER 109 -9.865 3.691 -2.666 852 HA SER 109 HA SER 109 -12.602 2.904 -1.940 853 1HB SER 109 1HB SER 109 -10.491 3.279 -0.354 854 2HB SER 109 2HB SER 109 -10.942 4.974 -0.462 855 HG SER 109 HG SER 109 -12.096 4.200 1.206 856 H GLY 110 H GLY 110 -10.681 5.777 -2.539 857 1HA GLY 110 1HA GLY 110 -11.703 7.732 -3.819 858 2HA GLY 110 2HA GLY 110 -12.990 7.561 -2.583 859 HA PRO 111 HA PRO 111 -9.063 9.816 -1.323 860 1HB PRO 111 1HB PRO 111 -9.754 12.443 -1.335 861 2HB PRO 111 2HB PRO 111 -9.503 11.533 -2.851 862 1HG PRO 111 1HG PRO 111 -12.143 12.043 -1.425 863 2HG PRO 111 2HG PRO 111 -11.741 12.397 -3.136 864 1HD PRO 111 1HD PRO 111 -13.002 10.100 -2.360 865 2HD PRO 111 2HD PRO 111 -11.817 10.102 -3.697 866 H SER 112 H SER 112 -12.037 9.431 0.285 867 HA SER 112 HA SER 112 -11.167 10.865 2.754 868 1HB SER 112 1HB SER 112 -12.797 12.171 1.448 869 2HB SER 112 2HB SER 112 -13.835 10.758 1.268 870 HG SER 112 HG SER 112 -13.463 12.436 3.493 871 H SER 113 H SER 113 -11.785 9.963 4.684 872 HA SER 113 HA SER 113 -13.144 7.347 4.775 873 1HB SER 113 1HB SER 113 -10.379 7.969 5.863 874 2HB SER 113 2HB SER 113 -11.291 6.489 6.200 875 HG SER 113 HG SER 113 -9.802 7.165 4.031 876 H GLY 114 H GLY 114 -13.059 6.784 7.377 877 1HA GLY 114 1HA GLY 114 -14.061 7.362 9.379 878 2HA GLY 114 2HA GLY 114 -13.500 9.021 9.147 Start of MODEL 19 1 1H GLY 1 H GLY 1 -15.531 16.451 -15.509 2 1HA GLY 1 1HA GLY 1 -13.318 15.423 -15.482 3 2HA GLY 1 2HA GLY 1 -12.664 16.990 -14.999 4 H SER 2 H SER 2 -14.698 14.239 -13.903 5 HA SER 2 HA SER 2 -14.078 14.854 -11.102 6 1HB SER 2 1HB SER 2 -16.014 13.407 -11.711 7 2HB SER 2 2HB SER 2 -14.883 12.261 -12.457 8 HG SER 2 HG SER 2 -14.491 13.058 -9.773 9 H SER 3 H SER 3 -12.994 12.612 -13.795 10 HA SER 3 HA SER 3 -10.414 12.182 -12.661 11 1HB SER 3 1HB SER 3 -10.001 11.265 -14.967 12 2HB SER 3 2HB SER 3 -11.410 10.586 -14.168 13 HG SER 3 HG SER 3 -11.197 12.200 -16.373 14 H GLY 4 H GLY 4 -8.393 13.076 -13.619 15 1HA GLY 4 1HA GLY 4 -8.504 15.313 -15.469 16 2HA GLY 4 2HA GLY 4 -8.141 15.819 -13.821 17 H SER 5 H SER 5 -6.245 14.812 -12.738 18 HA SER 5 HA SER 5 -3.950 14.447 -14.414 19 1HB SER 5 1HB SER 5 -2.900 13.986 -12.136 20 2HB SER 5 2HB SER 5 -3.698 15.536 -12.345 21 HG SER 5 HG SER 5 -4.621 13.295 -10.927 22 H SER 6 H SER 6 -2.511 12.400 -13.428 23 HA SER 6 HA SER 6 -4.073 9.920 -13.606 24 1HB SER 6 1HB SER 6 -1.695 10.410 -15.424 25 2HB SER 6 2HB SER 6 -2.749 9.005 -15.382 26 HG SER 6 HG SER 6 -4.481 10.487 -15.969 27 H GLY 7 H GLY 7 -1.975 11.623 -11.752 28 1HA GLY 7 1HA GLY 7 -0.821 9.176 -10.632 29 2HA GLY 7 2HA GLY 7 0.308 10.459 -11.104 30 H GLU 8 H GLU 8 0.057 9.630 -8.446 31 HA GLU 8 HA GLU 8 -1.222 11.919 -7.085 32 1HB GLU 8 1HB GLU 8 -1.848 8.955 -6.679 33 2HB GLU 8 2HB GLU 8 -2.153 10.204 -5.488 34 1HG GLU 8 1HG GLU 8 -4.170 10.233 -6.349 35 2HG GLU 8 2HG GLU 8 -3.430 11.441 -7.387 36 H VAL 9 H VAL 9 1.665 10.995 -7.615 37 HA VAL 9 HA VAL 9 2.672 9.672 -5.393 38 HB VAL 9 HB VAL 9 4.243 11.619 -7.125 39 1HG1 VAL 9 1HG1 VAL 9 5.996 9.837 -6.847 40 2HG1 VAL 9 2HG1 VAL 9 5.503 10.644 -5.344 41 3HG1 VAL 9 3HG1 VAL 9 4.893 9.025 -5.708 42 1HG2 VAL 9 1HG2 VAL 9 2.982 10.488 -8.786 43 2HG2 VAL 9 2HG2 VAL 9 4.538 9.656 -8.729 44 3HG2 VAL 9 3HG2 VAL 9 3.102 8.943 -7.952 45 H GLN 10 H GLN 10 2.847 13.141 -6.282 46 HA GLN 10 HA GLN 10 4.162 13.809 -3.817 47 1HB GLN 10 1HB GLN 10 2.860 15.581 -5.937 48 2HB GLN 10 2HB GLN 10 3.968 16.146 -4.678 49 1HG GLN 10 1HG GLN 10 4.633 14.128 -6.868 50 2HG GLN 10 2HG GLN 10 5.101 15.835 -6.840 51 1HE2 GLN 10 2HE2 GLN 10 6.461 12.876 -6.337 52 2HE2 GLN 10 1HE2 GLN 10 7.652 13.334 -5.118 53 H LYS 11 H LYS 11 0.911 13.347 -4.545 54 HA LYS 11 HA LYS 11 -0.390 15.445 -3.089 55 1HB LYS 11 1HB LYS 11 -1.332 12.634 -3.832 56 2HB LYS 11 2HB LYS 11 -2.378 13.934 -3.296 57 1HG LYS 11 1HG LYS 11 -1.433 15.293 -5.295 58 2HG LYS 11 2HG LYS 11 -0.815 13.729 -5.884 59 1HD LYS 11 1HD LYS 11 -3.154 12.820 -5.680 60 2HD LYS 11 2HD LYS 11 -3.714 14.421 -5.261 61 1HE LYS 11 1HE LYS 11 -2.516 13.502 -7.913 62 2HE LYS 11 2HE LYS 11 -4.180 14.015 -7.589 63 1HZ LYS 11 1HZ LYS 11 -1.763 15.667 -7.683 64 2HZ LYS 11 2HZ LYS 11 -3.150 16.193 -6.931 65 3HZ LYS 11 3HZ LYS 11 -3.166 15.850 -8.533 66 HA PRO 12 HA PRO 12 0.037 14.116 1.050 67 1HB PRO 12 1HB PRO 12 -2.513 14.444 2.111 68 2HB PRO 12 2HB PRO 12 -1.322 15.742 1.912 69 1HG PRO 12 1HG PRO 12 -3.683 15.100 0.242 70 2HG PRO 12 2HG PRO 12 -2.985 16.695 0.585 71 1HD PRO 12 1HD PRO 12 -2.621 15.341 -1.777 72 2HD PRO 12 2HD PRO 12 -1.421 16.485 -1.149 73 H LEU 13 H LEU 13 -0.391 12.313 2.434 74 HA LEU 13 HA LEU 13 -1.327 9.914 1.250 75 1HB LEU 13 1HB LEU 13 0.237 10.097 3.069 76 2HB LEU 13 2HB LEU 13 -1.005 10.664 4.179 77 HG LEU 13 HG LEU 13 -1.236 7.935 2.813 78 1HD1 LEU 13 1HD1 LEU 13 0.997 8.203 3.995 79 2HD1 LEU 13 2HD1 LEU 13 -0.060 6.949 4.685 80 3HD1 LEU 13 3HD1 LEU 13 0.127 8.523 5.489 81 1HD2 LEU 13 1HD2 LEU 13 -3.255 8.619 4.104 82 2HD2 LEU 13 2HD2 LEU 13 -2.252 9.021 5.508 83 3HD2 LEU 13 3HD2 LEU 13 -2.404 7.344 4.961 84 H HIS 14 H HIS 14 -3.060 12.421 3.107 85 HA HIS 14 HA HIS 14 -5.269 10.739 3.677 86 1HB HIS 14 1HB HIS 14 -6.294 12.704 4.605 87 2HB HIS 14 2HB HIS 14 -4.583 12.769 4.980 88 HD1 HIS 14 HD1 HIS 14 -6.926 14.222 2.239 89 HD2 HIS 14 HD2 HIS 14 -3.466 15.094 4.472 90 HE1 HIS 14 HE1 HIS 14 -6.164 16.531 1.504 91 H GLU 15 H GLU 15 -4.465 11.882 0.555 92 HA GLU 15 HA GLU 15 -7.226 12.380 -0.290 93 1HB GLU 15 1HB GLU 15 -5.803 14.299 -0.197 94 2HB GLU 15 2HB GLU 15 -4.438 13.423 -0.911 95 1HG GLU 15 1HG GLU 15 -5.334 13.400 -3.002 96 2HG GLU 15 2HG GLU 15 -6.950 13.917 -2.458 97 H GLN 16 H GLN 16 -4.870 10.068 -0.131 98 HA GLN 16 HA GLN 16 -4.584 9.146 -2.840 99 1HB GLN 16 1HB GLN 16 -4.113 7.793 -0.154 100 2HB GLN 16 2HB GLN 16 -3.567 7.156 -1.705 101 1HG GLN 16 1HG GLN 16 -2.725 9.804 -0.496 102 2HG GLN 16 2HG GLN 16 -1.787 8.329 -0.434 103 1HE2 GLN 16 2HE2 GLN 16 -1.040 10.965 -1.616 104 2HE2 GLN 16 1HE2 GLN 16 -0.574 10.552 -3.254 105 H LEU 17 H LEU 17 -5.014 6.989 -3.380 106 HA LEU 17 HA LEU 17 -7.914 6.542 -3.335 107 1HB LEU 17 1HB LEU 17 -7.269 5.077 -5.324 108 2HB LEU 17 2HB LEU 17 -7.308 6.822 -5.480 109 HG LEU 17 HG LEU 17 -4.786 5.120 -5.267 110 1HD1 LEU 17 1HD1 LEU 17 -5.992 6.626 -7.649 111 2HD1 LEU 17 2HD1 LEU 17 -6.150 4.880 -7.384 112 3HD1 LEU 17 3HD1 LEU 17 -4.562 5.584 -7.669 113 1HD2 LEU 17 1HD2 LEU 17 -5.092 8.111 -5.573 114 2HD2 LEU 17 2HD2 LEU 17 -3.726 7.263 -6.327 115 3HD2 LEU 17 3HD2 LEU 17 -3.911 7.186 -4.603 116 H TRP 18 H TRP 18 -4.955 4.459 -3.396 117 HA TRP 18 HA TRP 18 -6.149 2.177 -2.223 118 1HB TRP 18 1HB TRP 18 -3.668 1.728 -1.628 119 2HB TRP 18 2HB TRP 18 -4.150 1.784 -3.282 120 HD1 TRP 18 HD1 TRP 18 -2.840 3.444 -4.825 121 HE1 TRP 18 HE1 TRP 18 -1.108 5.263 -4.478 122 HE3 TRP 18 HE3 TRP 18 -2.953 3.682 0.278 123 HZ2 TRP 18 HZ2 TRP 18 0.157 6.544 -2.295 124 HZ3 TRP 18 HZ3 TRP 18 -1.409 5.190 1.503 125 HH2 TRP 18 HH2 TRP 18 0.184 6.592 0.258 126 H TYR 19 H TYR 19 -5.536 5.193 -0.636 127 HA TYR 19 HA TYR 19 -5.027 3.937 1.972 128 1HB TYR 19 1HB TYR 19 -4.010 6.099 1.489 129 2HB TYR 19 2HB TYR 19 -5.614 6.820 1.283 130 HD1 TYR 19 HD1 TYR 19 -6.200 8.174 3.093 131 HD2 TYR 19 HD2 TYR 19 -4.032 4.508 3.861 132 HE1 TYR 19 HE1 TYR 19 -6.334 8.599 5.517 133 HE2 TYR 19 HE2 TYR 19 -4.193 4.924 6.303 134 HH TYR 19 HH TYR 19 -5.666 7.895 7.598 135 H HIS 20 H HIS 20 -6.793 2.722 2.664 136 HA HIS 20 HA HIS 20 -9.529 3.869 2.401 137 1HB HIS 20 1HB HIS 20 -8.515 1.120 3.092 138 2HB HIS 20 2HB HIS 20 -10.146 1.667 3.512 139 HD1 HIS 20 HD1 HIS 20 -11.928 1.281 1.725 140 HD2 HIS 20 HD2 HIS 20 -7.989 1.445 0.231 141 HE1 HIS 20 HE1 HIS 20 -12.042 0.587 -0.724 142 H GLY 21 H GLY 21 -7.007 3.398 4.963 143 1HA GLY 21 1HA GLY 21 -6.889 4.672 6.790 144 2HA GLY 21 2HA GLY 21 -8.633 4.953 6.764 145 H ALA 22 H ALA 22 -9.089 4.137 8.591 146 HA ALA 22 HA ALA 22 -8.001 1.716 9.832 147 1HB ALA 22 1HB ALA 22 -9.604 2.183 11.642 148 2HB ALA 22 2HB ALA 22 -8.610 3.592 11.206 149 3HB ALA 22 3HB ALA 22 -10.304 3.502 10.665 150 H ILE 23 H ILE 23 -8.432 0.000 8.497 151 HA ILE 23 HA ILE 23 -11.189 -1.040 8.560 152 HB ILE 23 HB ILE 23 -11.411 -0.940 6.378 153 1HG1 ILE 23 1HG1 ILE 23 -9.048 -2.839 6.049 154 2HG1 ILE 23 2HG1 ILE 23 -10.687 -3.297 6.434 155 1HG2 ILE 23 1HG2 ILE 23 -8.480 -0.356 5.824 156 2HG2 ILE 23 2HG2 ILE 23 -9.860 -0.115 4.760 157 3HG2 ILE 23 3HG2 ILE 23 -9.708 0.882 6.174 158 1HD1 ILE 23 1HD1 ILE 23 -9.772 -2.106 3.860 159 2HD1 ILE 23 2HD1 ILE 23 -10.390 -3.732 4.207 160 3HD1 ILE 23 3HD1 ILE 23 -11.481 -2.332 4.348 161 HA PRO 24 HA PRO 24 -9.272 -4.527 10.461 162 1HB PRO 24 1HB PRO 24 -10.968 -6.604 9.692 163 2HB PRO 24 2HB PRO 24 -11.377 -5.334 10.876 164 1HG PRO 24 1HG PRO 24 -11.975 -5.489 7.923 165 2HG PRO 24 2HG PRO 24 -13.120 -5.134 9.249 166 1HD PRO 24 1HD PRO 24 -12.074 -3.122 7.853 167 2HD PRO 24 2HD PRO 24 -12.224 -2.993 9.587 168 H ARG 25 H ARG 25 -9.047 -7.244 9.625 169 HA ARG 25 HA ARG 25 -7.530 -7.121 7.002 170 1HB ARG 25 1HB ARG 25 -6.243 -8.995 7.664 171 2HB ARG 25 2HB ARG 25 -6.227 -7.950 9.085 172 1HG ARG 25 1HG ARG 25 -8.096 -9.369 10.045 173 2HG ARG 25 2HG ARG 25 -7.938 -10.458 8.671 174 1HD ARG 25 1HD ARG 25 -5.598 -10.900 9.310 175 2HD ARG 25 2HD ARG 25 -5.787 -9.746 10.658 176 HE ARG 25 HE ARG 25 -7.726 -11.920 10.633 177 1HH1 ARG 25 2HH1 ARG 25 -4.648 -10.745 11.994 178 2HH1 ARG 25 1HH1 ARG 25 -4.600 -11.948 13.240 179 1HH2 ARG 25 2HH2 ARG 25 -7.592 -13.567 12.282 180 2HH2 ARG 25 1HH2 ARG 25 -6.372 -13.403 13.520 181 H ALA 26 H ALA 26 -10.454 -8.076 8.407 182 HA ALA 26 HA ALA 26 -10.772 -10.459 6.768 183 1HB ALA 26 1HB ALA 26 -11.584 -10.281 9.088 184 2HB ALA 26 2HB ALA 26 -12.652 -8.930 8.623 185 3HB ALA 26 3HB ALA 26 -12.934 -10.549 7.964 186 H GLU 27 H GLU 27 -11.405 -7.052 6.340 187 HA GLU 27 HA GLU 27 -13.483 -7.427 4.275 188 1HB GLU 27 1HB GLU 27 -12.231 -5.130 5.794 189 2HB GLU 27 2HB GLU 27 -13.013 -4.724 4.344 190 1HG GLU 27 1HG GLU 27 -14.418 -6.590 6.289 191 2HG GLU 27 2HG GLU 27 -14.213 -4.907 6.748 192 H VAL 28 H VAL 28 -10.038 -6.983 4.513 193 HA VAL 28 HA VAL 28 -9.226 -5.773 2.222 194 HB VAL 28 HB VAL 28 -8.077 -8.304 3.491 195 1HG1 VAL 28 1HG1 VAL 28 -6.002 -7.970 2.295 196 2HG1 VAL 28 2HG1 VAL 28 -7.267 -8.165 1.124 197 3HG1 VAL 28 3HG1 VAL 28 -6.666 -6.532 1.452 198 1HG2 VAL 28 1HG2 VAL 28 -6.342 -6.758 4.377 199 2HG2 VAL 28 2HG2 VAL 28 -7.220 -5.377 3.667 200 3HG2 VAL 28 3HG2 VAL 28 -7.932 -6.365 4.949 201 H ALA 29 H ALA 29 -9.879 -9.263 2.403 202 HA ALA 29 HA ALA 29 -9.136 -9.671 -0.299 203 1HB ALA 29 1HB ALA 29 -11.138 -11.469 1.011 204 2HB ALA 29 2HB ALA 29 -9.830 -11.878 -0.135 205 3HB ALA 29 3HB ALA 29 -9.441 -11.439 1.554 206 H GLU 30 H GLU 30 -12.146 -8.350 0.752 207 HA GLU 30 HA GLU 30 -13.632 -9.053 -1.670 208 1HB GLU 30 1HB GLU 30 -15.087 -8.774 0.059 209 2HB GLU 30 2HB GLU 30 -14.129 -7.553 0.877 210 1HG GLU 30 1HG GLU 30 -14.811 -5.819 -0.676 211 2HG GLU 30 2HG GLU 30 -15.706 -6.994 -1.658 212 H LEU 31 H LEU 31 -11.679 -6.383 -0.379 213 HA LEU 31 HA LEU 31 -12.437 -4.423 -2.354 214 1HB LEU 31 1HB LEU 31 -9.973 -4.605 -0.546 215 2HB LEU 31 2HB LEU 31 -10.544 -3.171 -1.326 216 HG LEU 31 HG LEU 31 -12.156 -4.607 0.858 217 1HD1 LEU 31 1HD1 LEU 31 -10.559 -2.019 0.859 218 2HD1 LEU 31 2HD1 LEU 31 -10.214 -3.522 1.779 219 3HD1 LEU 31 3HD1 LEU 31 -11.670 -2.556 2.119 220 1HD2 LEU 31 1HD2 LEU 31 -13.558 -2.617 0.787 221 2HD2 LEU 31 2HD2 LEU 31 -13.598 -3.370 -0.800 222 3HD2 LEU 31 3HD2 LEU 31 -12.601 -1.911 -0.528 223 H LEU 32 H LEU 32 -9.851 -6.726 -1.905 224 HA LEU 32 HA LEU 32 -8.507 -6.058 -4.465 225 1HB LEU 32 1HB LEU 32 -7.924 -8.548 -2.881 226 2HB LEU 32 2HB LEU 32 -6.855 -7.552 -3.836 227 HG LEU 32 HG LEU 32 -7.805 -7.063 -1.013 228 1HD1 LEU 32 1HD1 LEU 32 -5.094 -7.300 -2.154 229 2HD1 LEU 32 2HD1 LEU 32 -5.965 -8.652 -1.369 230 3HD1 LEU 32 3HD1 LEU 32 -5.480 -7.217 -0.437 231 1HD2 LEU 32 1HD2 LEU 32 -7.776 -4.842 -1.805 232 2HD2 LEU 32 2HD2 LEU 32 -6.315 -5.120 -2.788 233 3HD2 LEU 32 3HD2 LEU 32 -6.190 -5.093 -1.042 234 H VAL 33 H VAL 33 -8.320 -7.688 -6.134 235 HA VAL 33 HA VAL 33 -10.721 -9.447 -6.329 236 HB VAL 33 HB VAL 33 -9.982 -7.559 -8.572 237 1HG1 VAL 33 1HG1 VAL 33 -12.641 -8.789 -7.742 238 2HG1 VAL 33 2HG1 VAL 33 -12.302 -7.859 -9.223 239 3HG1 VAL 33 3HG1 VAL 33 -11.548 -9.433 -8.988 240 1HG2 VAL 33 1HG2 VAL 33 -10.348 -6.013 -6.673 241 2HG2 VAL 33 2HG2 VAL 33 -11.618 -5.904 -7.855 242 3HG2 VAL 33 3HG2 VAL 33 -11.913 -6.789 -6.335 243 H HIS 34 H HIS 34 -7.774 -8.177 -7.901 244 HA HIS 34 HA HIS 34 -7.216 -10.882 -9.064 245 1HB HIS 34 1HB HIS 34 -6.527 -8.139 -10.170 246 2HB HIS 34 2HB HIS 34 -6.166 -9.670 -10.931 247 HD1 HIS 34 HD1 HIS 34 -7.846 -7.374 -12.418 248 HD2 HIS 34 HD2 HIS 34 -9.430 -10.629 -10.249 249 HE1 HIS 34 HE1 HIS 34 -10.178 -7.733 -13.261 250 H SER 35 H SER 35 -4.751 -11.116 -9.423 251 HA SER 35 HA SER 35 -3.315 -10.455 -7.043 252 1HB SER 35 1HB SER 35 -2.137 -10.975 -9.797 253 2HB SER 35 2HB SER 35 -1.352 -11.160 -8.220 254 HG SER 35 HG SER 35 -3.479 -12.660 -8.022 255 H GLY 36 H GLY 36 -1.950 -8.709 -6.576 256 1HA GLY 36 1HA GLY 36 -0.621 -6.842 -7.198 257 2HA GLY 36 2HA GLY 36 -1.652 -6.601 -8.645 258 H ASP 37 H ASP 37 -4.113 -6.935 -6.878 259 HA ASP 37 HA ASP 37 -4.693 -4.152 -6.446 260 1HB ASP 37 1HB ASP 37 -5.945 -6.774 -5.598 261 2HB ASP 37 2HB ASP 37 -6.522 -5.261 -4.884 262 H PHE 38 H PHE 38 -4.013 -2.903 -4.717 263 HA PHE 38 HA PHE 38 -3.796 -4.253 -2.116 264 1HB PHE 38 1HB PHE 38 -1.741 -3.160 -1.464 265 2HB PHE 38 2HB PHE 38 -1.443 -4.008 -2.976 266 HD1 PHE 38 HD1 PHE 38 -1.119 -2.833 -5.081 267 HD2 PHE 38 HD2 PHE 38 -1.647 -0.678 -1.369 268 HE1 PHE 38 HE1 PHE 38 -0.815 -0.725 -6.238 269 HE2 PHE 38 HE2 PHE 38 -1.035 1.441 -2.534 270 HZ PHE 38 HZ PHE 38 -0.648 1.419 -5.007 271 H LEU 39 H LEU 39 -3.896 -2.826 -0.308 272 HA LEU 39 HA LEU 39 -4.694 -0.054 -0.782 273 1HB LEU 39 1HB LEU 39 -6.545 -0.136 0.666 274 2HB LEU 39 2HB LEU 39 -6.776 -1.357 -0.552 275 HG LEU 39 HG LEU 39 -5.473 -2.705 1.638 276 1HD1 LEU 39 1HD1 LEU 39 -5.995 -0.792 3.028 277 2HD1 LEU 39 2HD1 LEU 39 -6.908 -2.242 3.509 278 3HD1 LEU 39 3HD1 LEU 39 -7.721 -0.944 2.616 279 1HD2 LEU 39 1HD2 LEU 39 -7.675 -3.835 1.861 280 2HD2 LEU 39 2HD2 LEU 39 -7.169 -3.678 0.171 281 3HD2 LEU 39 3HD2 LEU 39 -8.379 -2.583 0.805 282 H VAL 40 H VAL 40 -4.365 1.188 1.214 283 HA VAL 40 HA VAL 40 -2.442 0.021 3.155 284 HB VAL 40 HB VAL 40 -2.754 2.928 2.304 285 1HG1 VAL 40 1HG1 VAL 40 -0.807 3.361 3.766 286 2HG1 VAL 40 2HG1 VAL 40 -2.190 2.774 4.688 287 3HG1 VAL 40 3HG1 VAL 40 -0.848 1.672 4.318 288 1HG2 VAL 40 1HG2 VAL 40 -0.458 2.760 1.429 289 2HG2 VAL 40 2HG2 VAL 40 -0.370 1.063 1.905 290 3HG2 VAL 40 3HG2 VAL 40 -1.482 1.573 0.615 291 H ARG 41 H ARG 41 -3.283 -0.108 5.123 292 HA ARG 41 HA ARG 41 -5.710 1.427 5.831 293 1HB ARG 41 1HB ARG 41 -6.611 -0.570 6.956 294 2HB ARG 41 2HB ARG 41 -6.383 -0.860 5.226 295 1HG ARG 41 1HG ARG 41 -4.182 -1.982 5.837 296 2HG ARG 41 2HG ARG 41 -4.672 -1.878 7.527 297 1HD ARG 41 1HD ARG 41 -6.856 -3.055 6.739 298 2HD ARG 41 2HD ARG 41 -5.990 -3.356 5.218 299 HE ARG 41 HE ARG 41 -4.812 -5.000 6.187 300 1HH1 ARG 41 2HH1 ARG 41 -6.320 -3.066 8.824 301 2HH1 ARG 41 1HH1 ARG 41 -5.603 -3.992 10.090 302 1HH2 ARG 41 2HH2 ARG 41 -4.080 -6.377 7.985 303 2HH2 ARG 41 1HH2 ARG 41 -4.384 -5.809 9.620 304 H GLU 42 H GLU 42 -5.958 1.397 8.310 305 HA GLU 42 HA GLU 42 -3.288 1.430 9.593 306 1HB GLU 42 1HB GLU 42 -4.917 3.258 9.947 307 2HB GLU 42 2HB GLU 42 -5.932 2.159 10.894 308 1HG GLU 42 1HG GLU 42 -2.993 2.283 11.548 309 2HG GLU 42 2HG GLU 42 -3.897 3.766 11.846 310 H SER 43 H SER 43 -3.006 0.305 11.613 311 HA SER 43 HA SER 43 -3.848 -2.423 11.599 312 1HB SER 43 1HB SER 43 -1.584 -1.501 12.241 313 2HB SER 43 2HB SER 43 -2.355 -0.842 13.691 314 HG SER 43 HG SER 43 -1.178 -2.924 13.715 315 H GLN 44 H GLN 44 -4.156 -2.552 14.556 316 HA GLN 44 HA GLN 44 -6.947 -1.530 14.626 317 1HB GLN 44 1HB GLN 44 -5.773 -3.773 16.307 318 2HB GLN 44 2HB GLN 44 -7.438 -3.161 16.306 319 1HG GLN 44 1HG GLN 44 -7.369 -3.692 13.746 320 2HG GLN 44 2HG GLN 44 -6.028 -4.740 14.175 321 1HE2 GLN 44 2HE2 GLN 44 -9.317 -4.713 13.679 322 2HE2 GLN 44 1HE2 GLN 44 -9.711 -6.195 14.533 323 H GLY 45 H GLY 45 -6.146 0.618 15.056 324 1HA GLY 45 1HA GLY 45 -5.657 2.368 16.420 325 2HA GLY 45 2HA GLY 45 -6.171 1.344 17.768 326 H LYS 46 H LYS 46 -3.411 0.918 15.521 327 HA LYS 46 HA LYS 46 -1.537 1.061 17.873 328 1HB LYS 46 1HB LYS 46 -1.114 -0.330 15.204 329 2HB LYS 46 2HB LYS 46 -0.021 -0.367 16.558 330 1HG LYS 46 1HG LYS 46 -2.792 -1.638 16.546 331 2HG LYS 46 2HG LYS 46 -1.255 -2.453 16.353 332 1HD LYS 46 1HD LYS 46 -0.561 -1.524 18.628 333 2HD LYS 46 2HD LYS 46 -2.224 -0.951 18.806 334 1HE LYS 46 1HE LYS 46 -2.231 -2.974 19.957 335 2HE LYS 46 2HE LYS 46 -2.961 -3.382 18.405 336 1HZ LYS 46 1HZ LYS 46 -0.747 -4.243 17.734 337 2HZ LYS 46 2HZ LYS 46 -1.350 -5.021 19.038 338 3HZ LYS 46 3HZ LYS 46 -0.145 -3.913 19.213 339 H GLN 47 H GLN 47 -2.674 2.829 15.427 340 HA GLN 47 HA GLN 47 -2.074 4.490 14.094 341 1HB GLN 47 1HB GLN 47 0.250 5.004 15.977 342 2HB GLN 47 2HB GLN 47 -0.430 6.135 14.805 343 1HG GLN 47 1HG GLN 47 -2.581 6.123 16.061 344 2HG GLN 47 2HG GLN 47 -1.823 5.101 17.295 345 1HE2 GLN 47 2HE2 GLN 47 -2.902 7.931 17.518 346 2HE2 GLN 47 1HE2 GLN 47 -1.566 8.853 18.141 347 H GLU 48 H GLU 48 -0.964 1.768 13.634 348 HA GLU 48 HA GLU 48 1.498 2.416 12.113 349 1HB GLU 48 1HB GLU 48 1.915 0.887 13.947 350 2HB GLU 48 2HB GLU 48 0.529 -0.111 13.457 351 1HG GLU 48 1HG GLU 48 2.604 -1.190 12.789 352 2HG GLU 48 2HG GLU 48 1.638 -0.731 11.374 353 H TYR 49 H TYR 49 1.332 2.145 10.009 354 HA TYR 49 HA TYR 49 -1.308 1.298 8.969 355 1HB TYR 49 1HB TYR 49 1.026 2.500 7.480 356 2HB TYR 49 2HB TYR 49 -0.522 2.018 6.757 357 HD1 TYR 49 HD1 TYR 49 -2.665 2.953 8.118 358 HD2 TYR 49 HD2 TYR 49 1.209 4.801 7.921 359 HE1 TYR 49 HE1 TYR 49 -3.681 5.137 8.769 360 HE2 TYR 49 HE2 TYR 49 0.204 6.998 8.393 361 HH TYR 49 HH TYR 49 -1.775 8.165 8.698 362 H VAL 50 H VAL 50 -1.530 -0.146 7.227 363 HA VAL 50 HA VAL 50 0.367 -2.406 7.186 364 HB VAL 50 HB VAL 50 -2.638 -2.681 7.529 365 1HG1 VAL 50 1HG1 VAL 50 -1.680 -4.652 6.566 366 2HG1 VAL 50 2HG1 VAL 50 -0.303 -4.626 7.681 367 3HG1 VAL 50 3HG1 VAL 50 -1.923 -5.020 8.279 368 1HG2 VAL 50 1HG2 VAL 50 -0.504 -2.491 9.608 369 2HG2 VAL 50 2HG2 VAL 50 -2.062 -1.682 9.539 370 3HG2 VAL 50 3HG2 VAL 50 -2.008 -3.413 9.921 371 H LEU 51 H LEU 51 0.665 -3.043 5.249 372 HA LEU 51 HA LEU 51 -0.981 -2.051 2.983 373 1HB LEU 51 1HB LEU 51 1.668 -2.424 2.942 374 2HB LEU 51 2HB LEU 51 1.257 -4.119 2.830 375 HG LEU 51 HG LEU 51 -0.236 -3.443 0.795 376 1HD1 LEU 51 1HD1 LEU 51 -0.289 -1.029 1.132 377 2HD1 LEU 51 2HD1 LEU 51 0.596 -1.351 -0.362 378 3HD1 LEU 51 3HD1 LEU 51 1.482 -0.931 1.121 379 1HD2 LEU 51 1HD2 LEU 51 1.868 -4.677 0.602 380 2HD2 LEU 51 2HD2 LEU 51 2.780 -3.157 0.621 381 3HD2 LEU 51 3HD2 LEU 51 1.679 -3.520 -0.728 382 H SER 52 H SER 52 -2.445 -3.524 1.882 383 HA SER 52 HA SER 52 -2.162 -6.364 2.594 384 1HB SER 52 1HB SER 52 -4.776 -4.840 2.881 385 2HB SER 52 2HB SER 52 -4.584 -6.607 2.886 386 HG SER 52 HG SER 52 -2.876 -5.263 4.547 387 H VAL 53 H VAL 53 -2.198 -7.576 0.796 388 HA VAL 53 HA VAL 53 -3.003 -6.348 -1.740 389 HB VAL 53 HB VAL 53 -0.878 -5.376 -1.283 390 1HG1 VAL 53 1HG1 VAL 53 1.162 -6.577 -0.805 391 2HG1 VAL 53 2HG1 VAL 53 -0.020 -6.831 0.473 392 3HG1 VAL 53 3HG1 VAL 53 0.260 -8.112 -0.729 393 1HG2 VAL 53 1HG2 VAL 53 0.480 -6.107 -3.155 394 2HG2 VAL 53 2HG2 VAL 53 -0.345 -7.681 -3.203 395 3HG2 VAL 53 3HG2 VAL 53 -1.220 -6.206 -3.623 396 H LEU 54 H LEU 54 -3.507 -7.877 -3.309 397 HA LEU 54 HA LEU 54 -3.725 -10.659 -2.339 398 1HB LEU 54 1HB LEU 54 -5.527 -9.249 -3.644 399 2HB LEU 54 2HB LEU 54 -4.644 -9.714 -5.054 400 HG LEU 54 HG LEU 54 -6.224 -11.454 -4.953 401 1HD1 LEU 54 1HD1 LEU 54 -4.103 -12.590 -4.884 402 2HD1 LEU 54 2HD1 LEU 54 -5.442 -13.433 -4.101 403 3HD1 LEU 54 3HD1 LEU 54 -4.216 -12.658 -3.099 404 1HD2 LEU 54 1HD2 LEU 54 -7.087 -12.369 -2.805 405 2HD2 LEU 54 2HD2 LEU 54 -7.423 -10.665 -3.073 406 3HD2 LEU 54 3HD2 LEU 54 -6.117 -11.149 -1.958 407 H TRP 55 H TRP 55 -2.106 -12.144 -2.865 408 HA TRP 55 HA TRP 55 -0.835 -11.869 -5.512 409 1HB TRP 55 1HB TRP 55 0.627 -11.103 -3.456 410 2HB TRP 55 2HB TRP 55 0.761 -12.825 -3.132 411 HD1 TRP 55 HD1 TRP 55 3.067 -13.535 -4.025 412 HE1 TRP 55 HE1 TRP 55 4.565 -13.017 -5.998 413 HE3 TRP 55 HE3 TRP 55 0.137 -10.007 -6.268 414 HZ2 TRP 55 HZ2 TRP 55 4.571 -11.016 -8.245 415 HZ3 TRP 55 HZ3 TRP 55 0.879 -8.865 -8.327 416 HH2 TRP 55 HH2 TRP 55 3.055 -9.438 -9.352 417 H ASP 56 H ASP 56 -1.127 -13.672 -6.628 418 HA ASP 56 HA ASP 56 -2.308 -15.517 -7.184 419 1HB ASP 56 1HB ASP 56 0.134 -15.929 -7.048 420 2HB ASP 56 2HB ASP 56 -0.102 -16.698 -5.496 421 H GLY 57 H GLY 57 -4.144 -14.701 -5.714 422 1HA GLY 57 1HA GLY 57 -6.010 -15.372 -4.601 423 2HA GLY 57 2HA GLY 57 -5.435 -16.983 -4.781 424 H LEU 58 H LEU 58 -3.526 -14.628 -3.057 425 HA LEU 58 HA LEU 58 -4.658 -15.414 -0.454 426 1HB LEU 58 1HB LEU 58 -2.610 -16.839 -0.990 427 2HB LEU 58 2HB LEU 58 -1.643 -15.385 -0.770 428 HG LEU 58 HG LEU 58 -3.580 -16.551 1.288 429 1HD1 LEU 58 1HD1 LEU 58 -1.596 -17.351 2.480 430 2HD1 LEU 58 2HD1 LEU 58 -0.557 -16.762 1.161 431 3HD1 LEU 58 3HD1 LEU 58 -1.708 -18.072 0.861 432 1HD2 LEU 58 1HD2 LEU 58 -3.297 -14.279 1.881 433 2HD2 LEU 58 2HD2 LEU 58 -1.584 -14.264 1.431 434 3HD2 LEU 58 3HD2 LEU 58 -2.141 -15.121 2.892 435 HA PRO 59 HA PRO 59 -4.160 -10.812 -0.379 436 1HB PRO 59 1HB PRO 59 -5.792 -10.384 1.765 437 2HB PRO 59 2HB PRO 59 -6.428 -10.619 0.113 438 1HG PRO 59 1HG PRO 59 -6.099 -12.651 2.305 439 2HG PRO 59 2HG PRO 59 -7.533 -12.415 1.257 440 1HD PRO 59 1HD PRO 59 -5.756 -14.363 0.849 441 2HD PRO 59 2HD PRO 59 -6.525 -13.517 -0.526 442 H ARG 60 H ARG 60 -1.968 -10.939 0.189 443 HA ARG 60 HA ARG 60 -1.057 -11.770 2.820 444 1HB ARG 60 1HB ARG 60 0.201 -9.835 0.831 445 2HB ARG 60 2HB ARG 60 1.037 -10.671 2.136 446 1HG ARG 60 1HG ARG 60 -0.262 -12.133 -0.220 447 2HG ARG 60 2HG ARG 60 1.385 -11.566 -0.233 448 1HD ARG 60 1HD ARG 60 2.038 -12.955 1.597 449 2HD ARG 60 2HD ARG 60 0.359 -13.406 1.945 450 HE ARG 60 HE ARG 60 0.884 -14.130 -0.728 451 1HH1 ARG 60 2HH1 ARG 60 1.922 -15.135 2.507 452 2HH1 ARG 60 1HH1 ARG 60 2.350 -16.739 2.029 453 1HH2 ARG 60 2HH2 ARG 60 1.248 -16.314 -1.335 454 2HH2 ARG 60 1HH2 ARG 60 1.995 -17.394 -0.215 455 H HIS 61 H HIS 61 -0.347 -10.318 4.488 456 HA HIS 61 HA HIS 61 -1.163 -7.491 4.275 457 1HB HIS 61 1HB HIS 61 -1.391 -8.951 6.896 458 2HB HIS 61 2HB HIS 61 -2.040 -7.382 6.449 459 HD1 HIS 61 HD1 HIS 61 -4.314 -7.556 4.776 460 HD2 HIS 61 HD2 HIS 61 -2.826 -11.082 6.538 461 HE1 HIS 61 HE1 HIS 61 -6.190 -9.328 4.613 462 H PHE 62 H PHE 62 0.696 -6.385 4.401 463 HA PHE 62 HA PHE 62 2.892 -7.417 6.141 464 1HB PHE 62 1HB PHE 62 3.257 -5.700 3.643 465 2HB PHE 62 2HB PHE 62 4.492 -6.441 4.640 466 HD1 PHE 62 HD1 PHE 62 2.192 -6.831 1.842 467 HD2 PHE 62 HD2 PHE 62 4.775 -8.992 4.540 468 HE1 PHE 62 HE1 PHE 62 2.312 -8.678 0.249 469 HE2 PHE 62 HE2 PHE 62 4.871 -10.882 2.918 470 HZ PHE 62 HZ PHE 62 3.644 -10.737 0.759 471 H ILE 63 H ILE 63 3.316 -6.024 7.801 472 HA ILE 63 HA ILE 63 1.893 -3.540 8.165 473 HB ILE 63 HB ILE 63 4.414 -4.736 9.372 474 1HG1 ILE 63 1HG1 ILE 63 2.303 -5.904 9.829 475 2HG1 ILE 63 2HG1 ILE 63 3.035 -5.244 11.271 476 1HG2 ILE 63 1HG2 ILE 63 3.119 -2.086 10.049 477 2HG2 ILE 63 2HG2 ILE 63 4.019 -3.026 11.263 478 3HG2 ILE 63 3HG2 ILE 63 4.823 -2.471 9.811 479 1HD1 ILE 63 1HD1 ILE 63 1.309 -3.282 11.033 480 2HD1 ILE 63 2HD1 ILE 63 0.562 -4.313 9.787 481 3HD1 ILE 63 3HD1 ILE 63 0.663 -4.878 11.436 482 H ILE 64 H ILE 64 2.495 -1.446 7.612 483 HA ILE 64 HA ILE 64 4.175 -1.117 5.276 484 HB ILE 64 HB ILE 64 2.863 0.821 7.198 485 1HG1 ILE 64 1HG1 ILE 64 1.351 -0.529 5.781 486 2HG1 ILE 64 2HG1 ILE 64 1.207 1.209 5.563 487 1HG2 ILE 64 1HG2 ILE 64 4.679 2.106 6.266 488 2HG2 ILE 64 2HG2 ILE 64 4.288 1.575 4.617 489 3HG2 ILE 64 3HG2 ILE 64 3.176 2.603 5.525 490 1HD1 ILE 64 1HD1 ILE 64 2.717 -0.589 3.672 491 2HD1 ILE 64 2HD1 ILE 64 1.022 -0.081 3.489 492 3HD1 ILE 64 3HD1 ILE 64 2.306 1.132 3.440 493 H GLN 65 H GLN 65 6.041 0.381 5.352 494 HA GLN 65 HA GLN 65 7.983 -0.720 7.182 495 1HB GLN 65 1HB GLN 65 8.420 1.549 5.189 496 2HB GLN 65 2HB GLN 65 9.564 0.355 5.694 497 1HG GLN 65 1HG GLN 65 8.981 -0.492 3.630 498 2HG GLN 65 2HG GLN 65 7.837 -1.347 4.553 499 1HE2 GLN 65 2HE2 GLN 65 8.446 1.148 2.067 500 2HE2 GLN 65 1HE2 GLN 65 6.780 1.310 1.610 501 H SER 66 H SER 66 9.618 0.972 8.160 502 HA SER 66 HA SER 66 9.108 3.590 8.750 503 1HB SER 66 1HB SER 66 7.104 3.211 9.981 504 2HB SER 66 2HB SER 66 7.775 1.780 10.776 505 HG SER 66 HG SER 66 8.898 4.384 11.108 506 H LEU 67 H LEU 67 11.030 4.213 9.425 507 HA LEU 67 HA LEU 67 12.795 2.341 10.953 508 1HB LEU 67 1HB LEU 67 14.727 3.454 9.798 509 2HB LEU 67 2HB LEU 67 13.860 2.203 8.946 510 HG LEU 67 HG LEU 67 12.921 5.008 8.363 511 1HD1 LEU 67 1HD1 LEU 67 14.838 5.289 6.729 512 2HD1 LEU 67 2HD1 LEU 67 15.675 3.998 7.588 513 3HD1 LEU 67 3HD1 LEU 67 15.276 5.494 8.443 514 1HD2 LEU 67 1HD2 LEU 67 12.026 2.997 7.202 515 2HD2 LEU 67 2HD2 LEU 67 13.673 2.594 6.695 516 3HD2 LEU 67 3HD2 LEU 67 12.879 4.051 6.059 517 H ASP 68 H ASP 68 13.050 5.805 9.947 518 HA ASP 68 HA ASP 68 13.034 6.529 12.864 519 1HB ASP 68 1HB ASP 68 15.114 7.040 10.880 520 2HB ASP 68 2HB ASP 68 14.399 8.558 11.407 521 H ASN 69 H ASN 69 12.858 8.106 9.661 522 HA ASN 69 HA ASN 69 10.259 9.310 10.286 523 1HB ASN 69 1HB ASN 69 11.154 11.406 9.452 524 2HB ASN 69 2HB ASN 69 12.181 10.808 10.762 525 1HD2 ASN 69 2HD2 ASN 69 12.127 11.798 7.428 526 2HD2 ASN 69 1HD2 ASN 69 13.778 11.340 7.063 527 H LEU 70 H LEU 70 11.379 7.049 8.453 528 HA LEU 70 HA LEU 70 10.216 7.972 5.892 529 1HB LEU 70 1HB LEU 70 12.798 6.381 6.045 530 2HB LEU 70 2HB LEU 70 12.088 7.055 4.623 531 HG LEU 70 HG LEU 70 13.017 8.918 6.787 532 1HD1 LEU 70 1HD1 LEU 70 14.865 7.500 6.616 533 2HD1 LEU 70 2HD1 LEU 70 15.244 8.990 5.749 534 3HD1 LEU 70 3HD1 LEU 70 14.831 7.528 4.819 535 1HD2 LEU 70 1HD2 LEU 70 12.943 9.161 3.751 536 2HD2 LEU 70 2HD2 LEU 70 13.446 10.420 4.887 537 3HD2 LEU 70 3HD2 LEU 70 11.779 9.867 4.910 538 H TYR 71 H TYR 71 10.018 6.095 4.373 539 HA TYR 71 HA TYR 71 9.423 3.512 5.751 540 1HB TYR 71 1HB TYR 71 7.912 4.746 3.383 541 2HB TYR 71 2HB TYR 71 7.400 3.391 4.354 542 HD1 TYR 71 HD1 TYR 71 7.595 7.063 4.106 543 HD2 TYR 71 HD2 TYR 71 6.274 3.772 6.520 544 HE1 TYR 71 HE1 TYR 71 6.367 8.635 5.583 545 HE2 TYR 71 HE2 TYR 71 4.986 5.279 7.944 546 HH TYR 71 HH TYR 71 4.291 7.513 8.291 547 H ARG 72 H ARG 72 10.577 1.809 4.884 548 HA ARG 72 HA ARG 72 11.217 1.854 2.013 549 1HB ARG 72 1HB ARG 72 13.474 1.481 2.281 550 2HB ARG 72 2HB ARG 72 13.129 2.919 3.236 551 1HG ARG 72 1HG ARG 72 14.526 1.885 4.660 552 2HG ARG 72 2HG ARG 72 12.994 1.159 5.217 553 1HD ARG 72 1HD ARG 72 13.474 -0.890 4.107 554 2HD ARG 72 2HD ARG 72 14.672 -0.167 3.041 555 HE ARG 72 HE ARG 72 15.892 0.166 5.384 556 1HH1 ARG 72 2HH1 ARG 72 14.200 -2.720 4.065 557 2HH1 ARG 72 1HH1 ARG 72 15.170 -3.835 4.970 558 1HH2 ARG 72 2HH2 ARG 72 17.365 -1.435 6.280 559 2HH2 ARG 72 1HH2 ARG 72 16.906 -3.108 6.296 560 H LEU 73 H LEU 73 11.173 -0.222 1.154 561 HA LEU 73 HA LEU 73 10.732 -2.438 3.094 562 1HB LEU 73 1HB LEU 73 8.731 -1.591 1.807 563 2HB LEU 73 2HB LEU 73 9.458 -2.129 0.335 564 HG LEU 73 HG LEU 73 9.208 -4.336 0.748 565 1HD1 LEU 73 1HD1 LEU 73 8.503 -5.317 2.968 566 2HD1 LEU 73 2HD1 LEU 73 8.783 -3.720 3.720 567 3HD1 LEU 73 3HD1 LEU 73 10.128 -4.626 3.001 568 1HD2 LEU 73 1HD2 LEU 73 6.870 -2.970 2.126 569 2HD2 LEU 73 2HD2 LEU 73 6.844 -4.569 1.342 570 3HD2 LEU 73 3HD2 LEU 73 7.136 -3.101 0.384 571 H GLU 74 H GLU 74 11.361 -2.299 -0.454 572 HA GLU 74 HA GLU 74 13.392 -4.351 -0.264 573 1HB GLU 74 1HB GLU 74 13.083 -4.647 -2.419 574 2HB GLU 74 2HB GLU 74 11.484 -4.129 -1.962 575 1HG GLU 74 1HG GLU 74 13.643 -2.515 -3.271 576 2HG GLU 74 2HG GLU 74 12.214 -3.185 -4.075 577 H GLY 75 H GLY 75 13.166 -0.871 -0.845 578 1HA GLY 75 1HA GLY 75 16.032 -0.738 -1.597 579 2HA GLY 75 2HA GLY 75 14.698 0.224 -2.255 580 H GLU 76 H GLU 76 15.263 2.301 -1.706 581 HA GLU 76 HA GLU 76 16.189 2.847 1.043 582 1HB GLU 76 1HB GLU 76 17.036 4.853 0.301 583 2HB GLU 76 2HB GLU 76 17.485 3.671 -0.917 584 1HG GLU 76 1HG GLU 76 15.732 4.552 -2.422 585 2HG GLU 76 2HG GLU 76 15.252 5.737 -1.185 586 H GLY 77 H GLY 77 15.381 5.239 1.708 587 1HA GLY 77 1HA GLY 77 12.510 4.683 2.146 588 2HA GLY 77 2HA GLY 77 13.595 5.499 3.273 589 H PHE 78 H PHE 78 10.949 6.294 2.291 590 HA PHE 78 HA PHE 78 11.708 8.998 1.326 591 1HB PHE 78 1HB PHE 78 9.460 7.248 0.246 592 2HB PHE 78 2HB PHE 78 9.252 8.935 0.309 593 HD1 PHE 78 HD1 PHE 78 11.979 6.554 -0.843 594 HD2 PHE 78 HD2 PHE 78 9.960 10.323 -1.432 595 HE1 PHE 78 HE1 PHE 78 13.328 6.973 -2.848 596 HE2 PHE 78 HE2 PHE 78 11.258 10.683 -3.505 597 HZ PHE 78 HZ PHE 78 12.936 9.000 -4.234 598 HA PRO 79 HA PRO 79 9.650 10.488 4.845 599 1HB PRO 79 1HB PRO 79 8.643 12.922 3.978 600 2HB PRO 79 2HB PRO 79 10.399 12.589 4.185 601 1HG PRO 79 1HG PRO 79 8.657 12.461 1.713 602 2HG PRO 79 2HG PRO 79 10.263 13.261 1.887 603 1HD PRO 79 1HD PRO 79 9.981 10.804 0.790 604 2HD PRO 79 2HD PRO 79 11.386 11.188 1.824 605 H SER 80 H SER 80 7.663 9.644 2.129 606 HA SER 80 HA SER 80 5.188 9.835 3.774 607 1HB SER 80 1HB SER 80 5.339 10.489 0.848 608 2HB SER 80 2HB SER 80 4.023 10.809 1.901 609 HG SER 80 HG SER 80 5.339 12.352 3.026 610 H ILE 81 H ILE 81 3.728 8.222 3.227 611 HA ILE 81 HA ILE 81 4.844 5.741 2.214 612 HB ILE 81 HB ILE 81 2.088 6.626 3.072 613 1HG1 ILE 81 1HG1 ILE 81 3.956 4.491 4.190 614 2HG1 ILE 81 2HG1 ILE 81 4.036 6.173 4.692 615 1HG2 ILE 81 1HG2 ILE 81 1.763 4.924 1.253 616 2HG2 ILE 81 2HG2 ILE 81 2.723 3.785 2.213 617 3HG2 ILE 81 3HG2 ILE 81 1.190 4.406 2.834 618 1HD1 ILE 81 1HD1 ILE 81 1.570 4.447 5.079 619 2HD1 ILE 81 2HD1 ILE 81 2.804 4.821 6.294 620 3HD1 ILE 81 3HD1 ILE 81 1.823 6.125 5.629 621 HA PRO 82 HA PRO 82 2.073 6.729 -1.507 622 1HB PRO 82 1HB PRO 82 1.597 9.354 -2.291 623 2HB PRO 82 2HB PRO 82 0.521 8.397 -1.251 624 1HG PRO 82 1HG PRO 82 2.581 10.374 -0.319 625 2HG PRO 82 2HG PRO 82 0.912 10.155 0.283 626 1HD PRO 82 1HD PRO 82 2.877 9.155 1.616 627 2HD PRO 82 2HD PRO 82 1.417 8.198 1.443 628 H LEU 83 H LEU 83 4.706 8.964 -0.765 629 HA LEU 83 HA LEU 83 5.664 9.382 -3.390 630 1HB LEU 83 1HB LEU 83 6.761 9.630 -0.576 631 2HB LEU 83 2HB LEU 83 7.876 9.653 -1.917 632 HG LEU 83 HG LEU 83 6.638 11.509 -2.981 633 1HD1 LEU 83 1HD1 LEU 83 4.941 12.745 -2.079 634 2HD1 LEU 83 2HD1 LEU 83 5.108 12.081 -0.468 635 3HD1 LEU 83 3HD1 LEU 83 4.403 11.110 -1.768 636 1HD2 LEU 83 1HD2 LEU 83 7.530 12.069 -0.119 637 2HD2 LEU 83 2HD2 LEU 83 7.350 13.277 -1.407 638 3HD2 LEU 83 3HD2 LEU 83 8.574 12.021 -1.563 639 H LEU 84 H LEU 84 6.204 6.779 -1.011 640 HA LEU 84 HA LEU 84 8.187 5.488 -2.692 641 1HB LEU 84 1HB LEU 84 7.695 5.459 -0.023 642 2HB LEU 84 2HB LEU 84 6.731 4.049 -0.508 643 HG LEU 84 HG LEU 84 8.682 3.035 0.110 644 1HD1 LEU 84 1HD1 LEU 84 9.291 3.639 -2.819 645 2HD1 LEU 84 2HD1 LEU 84 8.440 2.224 -2.160 646 3HD1 LEU 84 3HD1 LEU 84 10.172 2.498 -1.862 647 1HD2 LEU 84 1HD2 LEU 84 9.846 5.115 0.621 648 2HD2 LEU 84 2HD2 LEU 84 10.263 5.291 -1.111 649 3HD2 LEU 84 3HD2 LEU 84 10.915 3.947 -0.146 650 H ILE 85 H ILE 85 4.639 5.171 -2.111 651 HA ILE 85 HA ILE 85 4.320 2.635 -3.321 652 HB ILE 85 HB ILE 85 2.413 5.008 -3.227 653 1HG1 ILE 85 1HG1 ILE 85 2.872 4.073 -1.018 654 2HG1 ILE 85 2HG1 ILE 85 1.233 3.743 -1.521 655 1HG2 ILE 85 1HG2 ILE 85 1.898 2.186 -4.226 656 2HG2 ILE 85 2HG2 ILE 85 0.610 3.303 -3.733 657 3HG2 ILE 85 3HG2 ILE 85 1.655 3.712 -5.090 658 1HD1 ILE 85 1HD1 ILE 85 3.531 1.754 -1.518 659 2HD1 ILE 85 2HD1 ILE 85 2.212 1.842 -0.339 660 3HD1 ILE 85 3HD1 ILE 85 1.859 1.391 -2.016 661 H ASP 86 H ASP 86 4.597 5.878 -4.906 662 HA ASP 86 HA ASP 86 4.041 4.843 -7.532 663 1HB ASP 86 1HB ASP 86 4.101 7.210 -7.169 664 2HB ASP 86 2HB ASP 86 5.799 7.151 -6.665 665 H HIS 87 H HIS 87 7.103 5.140 -5.704 666 HA HIS 87 HA HIS 87 8.678 4.202 -7.926 667 1HB HIS 87 1HB HIS 87 9.459 4.420 -5.012 668 2HB HIS 87 2HB HIS 87 10.550 4.236 -6.379 669 HD1 HIS 87 HD1 HIS 87 8.083 6.686 -7.609 670 HD2 HIS 87 HD2 HIS 87 11.327 6.674 -4.899 671 HE1 HIS 87 HE1 HIS 87 8.707 9.082 -7.249 672 H LEU 88 H LEU 88 6.557 2.546 -5.995 673 HA LEU 88 HA LEU 88 7.837 -0.112 -6.514 674 1HB LEU 88 1HB LEU 88 5.480 0.763 -4.833 675 2HB LEU 88 2HB LEU 88 5.866 -0.904 -5.275 676 HG LEU 88 HG LEU 88 6.968 0.909 -3.239 677 1HD1 LEU 88 1HD1 LEU 88 6.922 -2.099 -3.653 678 2HD1 LEU 88 2HD1 LEU 88 5.639 -1.150 -2.852 679 3HD1 LEU 88 3HD1 LEU 88 7.248 -1.292 -2.094 680 1HD2 LEU 88 1HD2 LEU 88 9.062 0.750 -4.573 681 2HD2 LEU 88 2HD2 LEU 88 8.943 -1.036 -4.523 682 3HD2 LEU 88 3HD2 LEU 88 9.168 -0.096 -3.047 683 H LEU 89 H LEU 89 4.908 1.914 -7.119 684 HA LEU 89 HA LEU 89 3.566 -0.217 -8.568 685 1HB LEU 89 1HB LEU 89 2.532 1.821 -7.231 686 2HB LEU 89 2HB LEU 89 2.788 2.710 -8.721 687 HG LEU 89 HG LEU 89 1.582 0.553 -9.763 688 1HD1 LEU 89 1HD1 LEU 89 1.208 -0.925 -8.438 689 2HD1 LEU 89 2HD1 LEU 89 -0.342 -0.120 -8.306 690 3HD1 LEU 89 3HD1 LEU 89 0.884 0.193 -7.032 691 1HD2 LEU 89 1HD2 LEU 89 -0.064 2.579 -8.177 692 2HD2 LEU 89 2HD2 LEU 89 -0.612 1.674 -9.610 693 3HD2 LEU 89 3HD2 LEU 89 0.631 2.929 -9.785 694 H SER 90 H SER 90 5.684 2.425 -9.407 695 HA SER 90 HA SER 90 5.005 2.377 -12.204 696 1HB SER 90 1HB SER 90 5.950 4.349 -10.810 697 2HB SER 90 2HB SER 90 7.523 3.544 -10.921 698 HG SER 90 HG SER 90 5.844 4.410 -13.034 699 H THR 91 H THR 91 7.296 0.817 -9.975 700 HA THR 91 HA THR 91 9.097 -0.036 -12.082 701 HB THR 91 HB THR 91 10.587 -0.469 -10.158 702 HG1 THR 91 HG1 THR 91 9.292 0.612 -8.182 703 1HG2 THR 91 1HG2 THR 91 9.101 2.179 -9.768 704 2HG2 THR 91 2HG2 THR 91 10.263 1.863 -11.072 705 3HG2 THR 91 3HG2 THR 91 10.779 1.829 -9.376 706 H GLN 92 H GLN 92 6.851 -1.388 -9.750 707 HA GLN 92 HA GLN 92 5.852 -3.334 -9.550 708 1HB GLN 92 1HB GLN 92 7.253 -4.505 -11.970 709 2HB GLN 92 2HB GLN 92 5.714 -4.980 -11.273 710 1HG GLN 92 1HG GLN 92 6.225 -2.309 -12.700 711 2HG GLN 92 2HG GLN 92 5.564 -3.748 -13.440 712 1HE2 GLN 92 2HE2 GLN 92 4.719 -1.916 -10.266 713 2HE2 GLN 92 1HE2 GLN 92 3.067 -2.028 -10.664 714 H GLN 93 H GLN 93 8.016 -2.627 -8.169 715 HA GLN 93 HA GLN 93 10.010 -4.697 -8.026 716 1HB GLN 93 1HB GLN 93 9.354 -2.228 -6.474 717 2HB GLN 93 2HB GLN 93 10.234 -3.471 -5.576 718 1HG GLN 93 1HG GLN 93 11.966 -3.587 -7.344 719 2HG GLN 93 2HG GLN 93 11.103 -2.316 -8.216 720 1HE2 GLN 93 2HE2 GLN 93 10.469 -0.352 -6.724 721 2HE2 GLN 93 1HE2 GLN 93 11.679 -0.071 -5.501 722 HA PRO 94 HA PRO 94 8.036 -7.506 -5.257 723 1HB PRO 94 1HB PRO 94 10.176 -8.770 -4.098 724 2HB PRO 94 2HB PRO 94 9.660 -9.040 -5.787 725 1HG PRO 94 1HG PRO 94 11.888 -7.256 -4.746 726 2HG PRO 94 2HG PRO 94 11.869 -8.333 -6.177 727 1HD PRO 94 1HD PRO 94 11.432 -5.558 -6.310 728 2HD PRO 94 2HD PRO 94 10.793 -6.723 -7.489 729 H LEU 95 H LEU 95 7.206 -7.373 -3.321 730 HA LEU 95 HA LEU 95 8.034 -5.404 -1.354 731 1HB LEU 95 1HB LEU 95 6.003 -7.639 -1.044 732 2HB LEU 95 2HB LEU 95 6.176 -6.255 0.007 733 HG LEU 95 HG LEU 95 5.150 -6.295 -2.820 734 1HD1 LEU 95 1HD1 LEU 95 4.062 -5.160 -0.231 735 2HD1 LEU 95 2HD1 LEU 95 3.629 -6.742 -0.905 736 3HD1 LEU 95 3HD1 LEU 95 3.201 -5.265 -1.789 737 1HD2 LEU 95 1HD2 LEU 95 4.951 -3.819 -2.733 738 2HD2 LEU 95 2HD2 LEU 95 6.607 -4.402 -2.893 739 3HD2 LEU 95 3HD2 LEU 95 6.032 -3.823 -1.319 740 H THR 96 H THR 96 8.267 -9.055 -1.427 741 HA THR 96 HA THR 96 10.549 -8.821 0.367 742 HB THR 96 HB THR 96 8.901 -8.905 2.070 743 HG1 THR 96 HG1 THR 96 10.599 -10.453 2.212 744 1HG2 THR 96 1HG2 THR 96 7.118 -10.614 2.215 745 2HG2 THR 96 2HG2 THR 96 7.509 -11.181 0.583 746 3HG2 THR 96 3HG2 THR 96 6.872 -9.537 0.847 747 H LYS 97 H LYS 97 11.877 -10.618 0.258 748 HA LYS 97 HA LYS 97 11.758 -12.272 -2.073 749 1HB LYS 97 1HB LYS 97 13.689 -11.515 -0.182 750 2HB LYS 97 2HB LYS 97 13.415 -13.194 0.225 751 1HG LYS 97 1HG LYS 97 15.238 -13.066 -1.331 752 2HG LYS 97 2HG LYS 97 13.884 -13.825 -2.144 753 1HD LYS 97 1HD LYS 97 15.001 -12.286 -3.641 754 2HD LYS 97 2HD LYS 97 13.391 -11.672 -3.331 755 1HE LYS 97 1HE LYS 97 14.253 -10.022 -1.766 756 2HE LYS 97 2HE LYS 97 15.874 -10.716 -1.834 757 1HZ LYS 97 1HZ LYS 97 16.264 -9.727 -3.850 758 2HZ LYS 97 2HZ LYS 97 15.174 -8.667 -3.222 759 3HZ LYS 97 3HZ LYS 97 14.699 -9.765 -4.342 760 H LYS 98 H LYS 98 9.977 -12.584 0.831 761 HA LYS 98 HA LYS 98 9.819 -15.512 0.652 762 1HB LYS 98 1HB LYS 98 8.579 -13.387 2.441 763 2HB LYS 98 2HB LYS 98 8.002 -15.054 2.498 764 1HG LYS 98 1HG LYS 98 10.916 -14.297 2.795 765 2HG LYS 98 2HG LYS 98 9.830 -14.508 4.184 766 1HD LYS 98 1HD LYS 98 9.847 -16.786 4.036 767 2HD LYS 98 2HD LYS 98 9.800 -16.793 2.292 768 1HE LYS 98 1HE LYS 98 11.885 -17.744 2.919 769 2HE LYS 98 2HE LYS 98 12.185 -16.166 2.159 770 1HZ LYS 98 1HZ LYS 98 13.479 -16.569 4.180 771 2HZ LYS 98 2HZ LYS 98 12.106 -16.651 5.074 772 3HZ LYS 98 3HZ LYS 98 12.540 -15.226 4.333 773 H SER 99 H SER 99 8.136 -12.915 -0.892 774 HA SER 99 HA SER 99 6.166 -14.917 -1.808 775 1HB SER 99 1HB SER 99 5.288 -13.898 0.231 776 2HB SER 99 2HB SER 99 5.441 -12.292 -0.485 777 HG SER 99 HG SER 99 3.876 -14.263 -1.780 778 H GLY 100 H GLY 100 8.136 -12.090 -2.471 779 1HA GLY 100 1HA GLY 100 8.512 -10.876 -4.296 780 2HA GLY 100 2HA GLY 100 8.037 -12.270 -5.232 781 H VAL 101 H VAL 101 5.782 -10.664 -3.042 782 HA VAL 101 HA VAL 101 3.728 -10.132 -4.869 783 HB VAL 101 HB VAL 101 4.475 -8.535 -2.397 784 1HG1 VAL 101 1HG1 VAL 101 1.785 -8.949 -3.747 785 2HG1 VAL 101 2HG1 VAL 101 2.086 -8.118 -2.197 786 3HG1 VAL 101 3HG1 VAL 101 2.735 -7.440 -3.673 787 1HG2 VAL 101 1HG2 VAL 101 2.772 -10.117 -1.299 788 2HG2 VAL 101 2HG2 VAL 101 3.149 -11.219 -2.625 789 3HG2 VAL 101 3HG2 VAL 101 4.436 -10.636 -1.529 790 H VAL 102 H VAL 102 3.409 -8.406 -6.390 791 HA VAL 102 HA VAL 102 5.200 -6.081 -6.006 792 HB VAL 102 HB VAL 102 5.818 -5.920 -8.154 793 1HG1 VAL 102 1HG1 VAL 102 6.790 -7.901 -9.000 794 2HG1 VAL 102 2HG1 VAL 102 6.870 -7.933 -7.236 795 3HG1 VAL 102 3HG1 VAL 102 5.659 -8.920 -8.085 796 1HG2 VAL 102 1HG2 VAL 102 3.363 -7.365 -9.009 797 2HG2 VAL 102 2HG2 VAL 102 4.009 -5.814 -9.517 798 3HG2 VAL 102 3HG2 VAL 102 4.774 -7.274 -10.102 799 H LEU 103 H LEU 103 4.265 -4.152 -6.308 800 HA LEU 103 HA LEU 103 1.419 -3.761 -6.070 801 1HB LEU 103 1HB LEU 103 3.809 -2.092 -6.928 802 2HB LEU 103 2HB LEU 103 2.267 -1.399 -6.834 803 HG LEU 103 HG LEU 103 4.177 -2.152 -4.701 804 1HD1 LEU 103 1HD1 LEU 103 3.366 -0.051 -3.727 805 2HD1 LEU 103 2HD1 LEU 103 1.878 -0.136 -4.693 806 3HD1 LEU 103 3HD1 LEU 103 3.405 0.202 -5.492 807 1HD2 LEU 103 1HD2 LEU 103 2.522 -3.696 -3.903 808 2HD2 LEU 103 2HD2 LEU 103 1.260 -2.456 -4.013 809 3HD2 LEU 103 3HD2 LEU 103 2.574 -2.276 -2.848 810 H HIS 104 H HIS 104 0.043 -3.404 -7.706 811 HA HIS 104 HA HIS 104 0.916 -3.214 -10.542 812 1HB HIS 104 1HB HIS 104 0.014 -5.704 -9.262 813 2HB HIS 104 2HB HIS 104 -0.908 -5.321 -10.719 814 HD1 HIS 104 HD1 HIS 104 2.179 -4.268 -12.063 815 HD2 HIS 104 HD2 HIS 104 0.764 -7.952 -10.542 816 HE1 HIS 104 HE1 HIS 104 3.630 -6.045 -13.048 817 H ARG 105 H ARG 105 -1.753 -3.258 -8.097 818 HA ARG 105 HA ARG 105 -3.208 -1.349 -9.725 819 1HB ARG 105 1HB ARG 105 -4.003 -3.552 -10.447 820 2HB ARG 105 2HB ARG 105 -4.371 -3.970 -8.765 821 1HG ARG 105 1HG ARG 105 -6.213 -2.589 -8.634 822 2HG ARG 105 2HG ARG 105 -5.607 -1.451 -9.852 823 1HD ARG 105 1HD ARG 105 -6.063 -3.042 -11.652 824 2HD ARG 105 2HD ARG 105 -6.462 -4.281 -10.466 825 HE ARG 105 HE ARG 105 -8.502 -3.386 -10.069 826 1HH1 ARG 105 2HH1 ARG 105 -6.757 -1.177 -12.240 827 2HH1 ARG 105 1HH1 ARG 105 -8.177 -0.294 -12.708 828 1HH2 ARG 105 2HH2 ARG 105 -10.353 -2.267 -10.670 829 2HH2 ARG 105 1HH2 ARG 105 -10.336 -1.099 -11.935 830 H ALA 106 H ALA 106 -4.772 -0.172 -8.292 831 HA ALA 106 HA ALA 106 -4.366 -0.697 -5.372 832 1HB ALA 106 1HB ALA 106 -4.343 1.851 -7.000 833 2HB ALA 106 2HB ALA 106 -4.797 1.871 -5.297 834 3HB ALA 106 3HB ALA 106 -3.186 1.281 -5.811 835 H VAL 107 H VAL 107 -6.285 -0.120 -4.051 836 HA VAL 107 HA VAL 107 -8.829 -0.368 -5.575 837 HB VAL 107 HB VAL 107 -8.546 -0.632 -2.569 838 1HG1 VAL 107 1HG1 VAL 107 -10.603 -1.534 -4.656 839 2HG1 VAL 107 2HG1 VAL 107 -10.709 -1.878 -2.938 840 3HG1 VAL 107 3HG1 VAL 107 -10.795 -0.216 -3.480 841 1HG2 VAL 107 1HG2 VAL 107 -8.646 -3.109 -2.943 842 2HG2 VAL 107 2HG2 VAL 107 -8.167 -2.824 -4.632 843 3HG2 VAL 107 3HG2 VAL 107 -7.095 -2.358 -3.297 844 HA PRO 108 HA PRO 108 -8.954 3.973 -4.597 845 1HB PRO 108 1HB PRO 108 -11.018 4.742 -6.146 846 2HB PRO 108 2HB PRO 108 -9.477 4.111 -6.834 847 1HG PRO 108 1HG PRO 108 -12.065 2.640 -6.386 848 2HG PRO 108 2HG PRO 108 -11.040 2.634 -7.855 849 1HD PRO 108 1HD PRO 108 -10.963 0.695 -5.894 850 2HD PRO 108 2HD PRO 108 -9.568 1.131 -6.930 851 H SER 109 H SER 109 -9.501 4.485 -2.578 852 HA SER 109 HA SER 109 -12.078 3.801 -1.368 853 1HB SER 109 1HB SER 109 -9.826 3.818 -0.207 854 2HB SER 109 2HB SER 109 -9.869 5.590 -0.280 855 HG SER 109 HG SER 109 -11.542 5.611 1.079 856 H GLY 110 H GLY 110 -11.035 6.371 -3.396 857 1HA GLY 110 1HA GLY 110 -12.000 8.430 -3.901 858 2HA GLY 110 2HA GLY 110 -13.139 8.253 -2.556 859 HA PRO 111 HA PRO 111 -9.338 10.721 -1.144 860 1HB PRO 111 1HB PRO 111 -10.214 13.292 -1.159 861 2HB PRO 111 2HB PRO 111 -9.624 12.491 -2.636 862 1HG PRO 111 1HG PRO 111 -12.502 12.800 -1.718 863 2HG PRO 111 2HG PRO 111 -11.812 13.201 -3.321 864 1HD PRO 111 1HD PRO 111 -13.075 10.822 -2.813 865 2HD PRO 111 2HD PRO 111 -11.696 10.938 -3.934 866 H SER 112 H SER 112 -12.350 9.800 -0.060 867 HA SER 112 HA SER 112 -12.469 11.317 2.410 868 1HB SER 112 1HB SER 112 -14.453 10.450 1.324 869 2HB SER 112 2HB SER 112 -13.851 8.784 1.439 870 HG SER 112 HG SER 112 -15.363 10.048 3.109 871 H SER 113 H SER 113 -12.310 10.197 4.479 872 HA SER 113 HA SER 113 -11.151 7.578 4.598 873 1HB SER 113 1HB SER 113 -9.289 9.524 4.950 874 2HB SER 113 2HB SER 113 -9.988 9.546 6.580 875 HG SER 113 HG SER 113 -8.901 7.373 5.104 876 H GLY 114 H GLY 114 -11.862 6.561 6.606 877 1HA GLY 114 1HA GLY 114 -13.054 6.600 8.681 878 2HA GLY 114 2HA GLY 114 -13.936 8.043 8.155 Start of MODEL 20 1 1H GLY 1 H GLY 1 -17.518 5.274 -14.873 2 1HA GLY 1 1HA GLY 1 -16.975 4.641 -17.175 3 2HA GLY 1 2HA GLY 1 -17.230 6.351 -17.618 4 H SER 2 H SER 2 -14.893 4.074 -17.082 5 HA SER 2 HA SER 2 -13.357 5.519 -15.178 6 1HB SER 2 1HB SER 2 -12.426 3.247 -16.963 7 2HB SER 2 2HB SER 2 -11.746 3.759 -15.404 8 HG SER 2 HG SER 2 -14.183 3.413 -14.774 9 H SER 3 H SER 3 -11.492 6.454 -15.353 10 HA SER 3 HA SER 3 -10.474 7.498 -17.971 11 1HB SER 3 1HB SER 3 -9.838 9.522 -16.775 12 2HB SER 3 2HB SER 3 -11.560 9.219 -16.516 13 HG SER 3 HG SER 3 -11.217 8.719 -14.452 14 H GLY 4 H GLY 4 -9.760 5.684 -15.059 15 1HA GLY 4 1HA GLY 4 -7.846 4.503 -14.510 16 2HA GLY 4 2HA GLY 4 -6.989 5.222 -15.878 17 H SER 5 H SER 5 -8.535 7.626 -14.048 18 HA SER 5 HA SER 5 -6.348 9.119 -13.380 19 1HB SER 5 1HB SER 5 -9.073 8.889 -12.065 20 2HB SER 5 2HB SER 5 -7.877 10.103 -11.601 21 HG SER 5 HG SER 5 -9.085 9.768 -14.160 22 H SER 6 H SER 6 -4.567 8.394 -12.307 23 HA SER 6 HA SER 6 -4.753 7.484 -9.542 24 1HB SER 6 1HB SER 6 -3.540 5.407 -9.987 25 2HB SER 6 2HB SER 6 -5.086 5.405 -10.820 26 HG SER 6 HG SER 6 -4.135 5.767 -12.738 27 H GLY 7 H GLY 7 -1.947 6.603 -9.540 28 1HA GLY 7 1HA GLY 7 0.179 7.459 -9.522 29 2HA GLY 7 2HA GLY 7 -0.316 8.771 -10.591 30 H GLU 8 H GLU 8 -1.005 10.718 -9.664 31 HA GLU 8 HA GLU 8 -1.043 12.415 -8.141 32 1HB GLU 8 1HB GLU 8 -2.946 10.433 -6.939 33 2HB GLU 8 2HB GLU 8 -2.813 12.098 -6.389 34 1HG GLU 8 1HG GLU 8 -3.414 11.249 -9.216 35 2HG GLU 8 2HG GLU 8 -4.610 11.785 -8.015 36 H VAL 9 H VAL 9 1.233 10.811 -7.724 37 HA VAL 9 HA VAL 9 1.685 9.679 -5.271 38 HB VAL 9 HB VAL 9 3.687 11.156 -7.028 39 1HG1 VAL 9 1HG1 VAL 9 4.065 8.718 -5.292 40 2HG1 VAL 9 2HG1 VAL 9 5.303 9.459 -6.339 41 3HG1 VAL 9 3HG1 VAL 9 4.646 10.351 -4.959 42 1HG2 VAL 9 1HG2 VAL 9 2.565 8.308 -7.359 43 2HG2 VAL 9 2HG2 VAL 9 2.316 9.646 -8.497 44 3HG2 VAL 9 3HG2 VAL 9 3.917 8.982 -8.284 45 H GLN 10 H GLN 10 2.122 13.054 -6.323 46 HA GLN 10 HA GLN 10 3.620 13.699 -3.946 47 1HB GLN 10 1HB GLN 10 2.416 15.705 -5.874 48 2HB GLN 10 2HB GLN 10 3.808 15.908 -4.817 49 1HG GLN 10 1HG GLN 10 3.679 14.146 -7.296 50 2HG GLN 10 2HG GLN 10 4.393 15.742 -7.201 51 1HE2 GLN 10 2HE2 GLN 10 5.128 12.452 -7.132 52 2HE2 GLN 10 1HE2 GLN 10 6.743 12.600 -6.502 53 H LYS 11 H LYS 11 0.249 13.410 -4.764 54 HA LYS 11 HA LYS 11 -0.813 15.486 -3.023 55 1HB LYS 11 1HB LYS 11 -2.068 12.912 -4.085 56 2HB LYS 11 2HB LYS 11 -2.896 14.122 -3.112 57 1HG LYS 11 1HG LYS 11 -1.824 15.679 -5.127 58 2HG LYS 11 2HG LYS 11 -2.169 14.185 -6.000 59 1HD LYS 11 1HD LYS 11 -4.174 15.778 -4.322 60 2HD LYS 11 2HD LYS 11 -3.968 15.881 -6.064 61 1HE LYS 11 1HE LYS 11 -5.745 14.488 -6.002 62 2HE LYS 11 2HE LYS 11 -4.444 13.311 -6.090 63 1HZ LYS 11 1HZ LYS 11 -6.201 12.835 -4.418 64 2HZ LYS 11 2HZ LYS 11 -5.852 14.197 -3.644 65 3HZ LYS 11 3HZ LYS 11 -4.737 12.963 -3.680 66 HA PRO 12 HA PRO 12 0.074 13.629 0.786 67 1HB PRO 12 1HB PRO 12 -2.168 14.109 2.360 68 2HB PRO 12 2HB PRO 12 -0.909 15.303 2.015 69 1HG PRO 12 1HG PRO 12 -3.585 14.926 0.721 70 2HG PRO 12 2HG PRO 12 -2.775 16.463 1.109 71 1HD PRO 12 1HD PRO 12 -2.829 15.445 -1.416 72 2HD PRO 12 2HD PRO 12 -1.416 16.349 -0.829 73 H LEU 13 H LEU 13 -0.222 11.791 1.943 74 HA LEU 13 HA LEU 13 -1.576 9.518 1.152 75 1HB LEU 13 1HB LEU 13 0.220 9.775 2.803 76 2HB LEU 13 2HB LEU 13 -0.929 10.409 3.987 77 HG LEU 13 HG LEU 13 -1.259 7.656 2.693 78 1HD1 LEU 13 1HD1 LEU 13 0.967 8.065 3.999 79 2HD1 LEU 13 2HD1 LEU 13 -0.050 6.712 4.555 80 3HD1 LEU 13 3HD1 LEU 13 -0.027 8.259 5.430 81 1HD2 LEU 13 1HD2 LEU 13 -3.281 8.304 3.849 82 2HD2 LEU 13 2HD2 LEU 13 -2.368 8.846 5.274 83 3HD2 LEU 13 3HD2 LEU 13 -2.436 7.125 4.836 84 H HIS 14 H HIS 14 -2.772 12.110 3.369 85 HA HIS 14 HA HIS 14 -5.169 10.714 3.872 86 1HB HIS 14 1HB HIS 14 -5.904 12.612 5.114 87 2HB HIS 14 2HB HIS 14 -4.203 12.337 5.425 88 HD1 HIS 14 HD1 HIS 14 -6.462 14.854 3.440 89 HD2 HIS 14 HD2 HIS 14 -2.556 14.367 5.000 90 HE1 HIS 14 HE1 HIS 14 -5.314 17.090 3.266 91 H GLU 15 H GLU 15 -4.445 11.941 0.923 92 HA GLU 15 HA GLU 15 -7.304 12.305 0.184 93 1HB GLU 15 1HB GLU 15 -4.921 13.909 -0.831 94 2HB GLU 15 2HB GLU 15 -6.527 13.928 -1.555 95 1HG GLU 15 1HG GLU 15 -7.539 14.913 0.377 96 2HG GLU 15 2HG GLU 15 -6.059 14.721 1.321 97 H GLN 16 H GLN 16 -4.944 10.121 0.091 98 HA GLN 16 HA GLN 16 -4.720 9.572 -2.763 99 1HB GLN 16 1HB GLN 16 -4.062 8.002 -0.235 100 2HB GLN 16 2HB GLN 16 -3.817 7.345 -1.831 101 1HG GLN 16 1HG GLN 16 -2.523 9.841 -0.721 102 2HG GLN 16 2HG GLN 16 -1.735 8.294 -0.980 103 1HE2 GLN 16 2HE2 GLN 16 -0.889 10.990 -2.122 104 2HE2 GLN 16 1HE2 GLN 16 -1.055 10.780 -3.833 105 H LEU 17 H LEU 17 -5.318 7.092 -3.330 106 HA LEU 17 HA LEU 17 -8.295 6.993 -2.942 107 1HB LEU 17 1HB LEU 17 -8.098 5.579 -5.115 108 2HB LEU 17 2HB LEU 17 -8.329 7.265 -5.167 109 HG LEU 17 HG LEU 17 -5.634 5.919 -5.559 110 1HD1 LEU 17 1HD1 LEU 17 -6.017 6.304 -7.960 111 2HD1 LEU 17 2HD1 LEU 17 -7.689 6.860 -7.596 112 3HD1 LEU 17 3HD1 LEU 17 -7.181 5.203 -7.268 113 1HD2 LEU 17 1HD2 LEU 17 -5.309 8.310 -5.001 114 2HD2 LEU 17 2HD2 LEU 17 -6.593 8.784 -6.079 115 3HD2 LEU 17 3HD2 LEU 17 -5.045 8.099 -6.705 116 H TRP 18 H TRP 18 -5.376 5.063 -3.299 117 HA TRP 18 HA TRP 18 -6.598 2.567 -2.446 118 1HB TRP 18 1HB TRP 18 -4.250 1.839 -2.130 119 2HB TRP 18 2HB TRP 18 -4.723 2.310 -3.718 120 HD1 TRP 18 HD1 TRP 18 -2.988 3.732 -4.942 121 HE1 TRP 18 HE1 TRP 18 -1.138 5.380 -4.300 122 HE3 TRP 18 HE3 TRP 18 -3.393 3.595 0.194 123 HZ2 TRP 18 HZ2 TRP 18 0.106 6.299 -1.997 124 HZ3 TRP 18 HZ3 TRP 18 -1.885 4.968 1.586 125 HH2 TRP 18 HH2 TRP 18 -0.090 6.321 0.525 126 H TYR 19 H TYR 19 -5.993 5.335 -0.661 127 HA TYR 19 HA TYR 19 -5.381 4.001 1.874 128 1HB TYR 19 1HB TYR 19 -4.480 6.217 1.375 129 2HB TYR 19 2HB TYR 19 -6.101 6.861 1.144 130 HD1 TYR 19 HD1 TYR 19 -6.107 8.549 2.788 131 HD2 TYR 19 HD2 TYR 19 -4.879 4.572 3.927 132 HE1 TYR 19 HE1 TYR 19 -6.189 9.202 5.179 133 HE2 TYR 19 HE2 TYR 19 -5.052 5.193 6.280 134 HH TYR 19 HH TYR 19 -5.618 8.583 7.291 135 H HIS 20 H HIS 20 -7.059 2.679 2.593 136 HA HIS 20 HA HIS 20 -9.877 3.651 2.293 137 1HB HIS 20 1HB HIS 20 -8.755 0.874 2.757 138 2HB HIS 20 2HB HIS 20 -10.426 1.312 3.041 139 HD1 HIS 20 HD1 HIS 20 -12.023 0.807 1.193 140 HD2 HIS 20 HD2 HIS 20 -8.053 1.426 -0.077 141 HE1 HIS 20 HE1 HIS 20 -11.956 0.242 -1.295 142 H GLY 21 H GLY 21 -7.404 3.793 4.605 143 1HA GLY 21 1HA GLY 21 -7.706 4.958 6.567 144 2HA GLY 21 2HA GLY 21 -9.387 4.449 6.662 145 H ALA 22 H ALA 22 -9.847 2.646 7.864 146 HA ALA 22 HA ALA 22 -7.687 1.206 9.235 147 1HB ALA 22 1HB ALA 22 -8.806 1.696 11.348 148 2HB ALA 22 2HB ALA 22 -8.590 3.227 10.485 149 3HB ALA 22 3HB ALA 22 -10.180 2.425 10.489 150 H ILE 23 H ILE 23 -9.140 0.256 7.179 151 HA ILE 23 HA ILE 23 -11.387 -1.255 7.869 152 HB ILE 23 HB ILE 23 -11.538 -1.610 5.692 153 1HG1 ILE 23 1HG1 ILE 23 -8.772 -2.862 5.627 154 2HG1 ILE 23 2HG1 ILE 23 -10.329 -3.672 5.867 155 1HG2 ILE 23 1HG2 ILE 23 -10.217 -0.452 4.144 156 2HG2 ILE 23 2HG2 ILE 23 -10.357 0.571 5.551 157 3HG2 ILE 23 3HG2 ILE 23 -8.829 -0.310 5.241 158 1HD1 ILE 23 1HD1 ILE 23 -11.052 -3.006 3.628 159 2HD1 ILE 23 2HD1 ILE 23 -9.438 -2.320 3.325 160 3HD1 ILE 23 3HD1 ILE 23 -9.615 -4.047 3.629 161 HA PRO 24 HA PRO 24 -9.630 -4.869 9.921 162 1HB PRO 24 1HB PRO 24 -11.579 -6.756 9.458 163 2HB PRO 24 2HB PRO 24 -11.803 -5.416 10.604 164 1HG PRO 24 1HG PRO 24 -12.670 -5.711 7.765 165 2HG PRO 24 2HG PRO 24 -13.646 -5.048 9.114 166 1HD PRO 24 1HD PRO 24 -12.361 -3.460 7.252 167 2HD PRO 24 2HD PRO 24 -12.575 -2.938 8.926 168 H ARG 25 H ARG 25 -8.855 -7.141 9.493 169 HA ARG 25 HA ARG 25 -7.705 -7.263 6.906 170 1HB ARG 25 1HB ARG 25 -6.701 -9.252 7.449 171 2HB ARG 25 2HB ARG 25 -6.836 -8.458 9.020 172 1HG ARG 25 1HG ARG 25 -8.730 -9.943 9.608 173 2HG ARG 25 2HG ARG 25 -8.734 -10.617 7.967 174 1HD ARG 25 1HD ARG 25 -6.322 -11.332 8.366 175 2HD ARG 25 2HD ARG 25 -6.640 -11.006 10.082 176 HE ARG 25 HE ARG 25 -8.732 -12.610 8.972 177 1HH1 ARG 25 2HH1 ARG 25 -5.243 -12.997 9.506 178 2HH1 ARG 25 1HH1 ARG 25 -5.322 -14.717 9.610 179 1HH2 ARG 25 2HH2 ARG 25 -8.871 -14.855 9.346 180 2HH2 ARG 25 1HH2 ARG 25 -7.429 -15.813 9.445 181 H ALA 26 H ALA 26 -10.820 -8.560 7.937 182 HA ALA 26 HA ALA 26 -10.941 -10.448 5.746 183 1HB ALA 26 1HB ALA 26 -12.218 -10.768 7.818 184 2HB ALA 26 2HB ALA 26 -13.171 -9.293 7.461 185 3HB ALA 26 3HB ALA 26 -13.286 -10.707 6.408 186 H GLU 27 H GLU 27 -11.975 -7.045 6.199 187 HA GLU 27 HA GLU 27 -13.652 -6.869 3.910 188 1HB GLU 27 1HB GLU 27 -12.059 -4.882 5.495 189 2HB GLU 27 2HB GLU 27 -12.909 -4.364 4.041 190 1HG GLU 27 1HG GLU 27 -14.217 -5.792 6.362 191 2HG GLU 27 2HG GLU 27 -14.141 -4.034 6.224 192 H VAL 28 H VAL 28 -10.150 -6.714 4.288 193 HA VAL 28 HA VAL 28 -9.289 -5.630 1.910 194 HB VAL 28 HB VAL 28 -8.184 -8.112 3.284 195 1HG1 VAL 28 1HG1 VAL 28 -6.059 -7.620 2.196 196 2HG1 VAL 28 2HG1 VAL 28 -7.312 -7.941 1.015 197 3HG1 VAL 28 3HG1 VAL 28 -6.833 -6.261 1.314 198 1HG2 VAL 28 1HG2 VAL 28 -7.352 -5.184 3.560 199 2HG2 VAL 28 2HG2 VAL 28 -8.260 -6.097 4.774 200 3HG2 VAL 28 3HG2 VAL 28 -6.605 -6.569 4.387 201 H ALA 29 H ALA 29 -9.995 -9.173 2.220 202 HA ALA 29 HA ALA 29 -9.609 -9.503 -0.604 203 1HB ALA 29 1HB ALA 29 -9.767 -11.654 -0.292 204 2HB ALA 29 2HB ALA 29 -9.656 -11.237 1.443 205 3HB ALA 29 3HB ALA 29 -11.249 -11.553 0.716 206 H GLU 30 H GLU 30 -12.325 -8.420 1.199 207 HA GLU 30 HA GLU 30 -14.395 -9.032 -0.732 208 1HB GLU 30 1HB GLU 30 -15.240 -8.818 1.381 209 2HB GLU 30 2HB GLU 30 -14.134 -7.598 1.863 210 1HG GLU 30 1HG GLU 30 -16.241 -6.581 1.844 211 2HG GLU 30 2HG GLU 30 -15.350 -5.894 0.491 212 H LEU 31 H LEU 31 -11.873 -6.539 -0.302 213 HA LEU 31 HA LEU 31 -12.998 -4.854 -2.434 214 1HB LEU 31 1HB LEU 31 -10.412 -4.597 -0.842 215 2HB LEU 31 2HB LEU 31 -11.110 -3.383 -1.879 216 HG LEU 31 HG LEU 31 -12.430 -4.394 0.682 217 1HD1 LEU 31 1HD1 LEU 31 -10.449 -3.321 1.248 218 2HD1 LEU 31 2HD1 LEU 31 -11.749 -2.165 1.574 219 3HD1 LEU 31 3HD1 LEU 31 -10.733 -1.963 0.126 220 1HD2 LEU 31 1HD2 LEU 31 -14.112 -3.463 -0.798 221 2HD2 LEU 31 2HD2 LEU 31 -13.092 -2.038 -1.146 222 3HD2 LEU 31 3HD2 LEU 31 -13.782 -2.287 0.471 223 H LEU 32 H LEU 32 -10.103 -6.893 -1.785 224 HA LEU 32 HA LEU 32 -8.933 -6.226 -4.393 225 1HB LEU 32 1HB LEU 32 -7.840 -8.448 -2.690 226 2HB LEU 32 2HB LEU 32 -7.035 -7.299 -3.750 227 HG LEU 32 HG LEU 32 -7.949 -6.788 -0.920 228 1HD1 LEU 32 1HD1 LEU 32 -6.032 -8.229 -1.110 229 2HD1 LEU 32 2HD1 LEU 32 -5.558 -6.627 -0.478 230 3HD1 LEU 32 3HD1 LEU 32 -5.291 -7.006 -2.169 231 1HD2 LEU 32 1HD2 LEU 32 -6.628 -4.675 -1.141 232 2HD2 LEU 32 2HD2 LEU 32 -8.184 -4.720 -2.005 233 3HD2 LEU 32 3HD2 LEU 32 -6.623 -4.933 -2.886 234 H VAL 33 H VAL 33 -9.341 -7.403 -6.199 235 HA VAL 33 HA VAL 33 -10.300 -10.229 -5.893 236 HB VAL 33 HB VAL 33 -11.389 -8.163 -7.847 237 1HG1 VAL 33 1HG1 VAL 33 -11.764 -10.464 -8.610 238 2HG1 VAL 33 2HG1 VAL 33 -12.426 -10.912 -7.021 239 3HG1 VAL 33 3HG1 VAL 33 -13.290 -9.775 -8.077 240 1HG2 VAL 33 1HG2 VAL 33 -12.464 -8.980 -5.128 241 2HG2 VAL 33 2HG2 VAL 33 -12.119 -7.344 -5.725 242 3HG2 VAL 33 3HG2 VAL 33 -13.487 -8.245 -6.368 243 H HIS 34 H HIS 34 -8.185 -7.992 -7.493 244 HA HIS 34 HA HIS 34 -7.474 -10.053 -9.533 245 1HB HIS 34 1HB HIS 34 -7.048 -7.051 -9.629 246 2HB HIS 34 2HB HIS 34 -6.783 -8.218 -10.917 247 HD1 HIS 34 HD1 HIS 34 -9.079 -8.999 -12.261 248 HD2 HIS 34 HD2 HIS 34 -9.629 -6.458 -8.957 249 HE1 HIS 34 HE1 HIS 34 -11.490 -8.210 -12.344 250 H SER 35 H SER 35 -5.358 -10.716 -9.619 251 HA SER 35 HA SER 35 -3.629 -10.471 -7.418 252 1HB SER 35 1HB SER 35 -1.980 -11.334 -9.175 253 2HB SER 35 2HB SER 35 -3.432 -12.326 -8.934 254 HG SER 35 HG SER 35 -3.116 -10.337 -10.923 255 H GLY 36 H GLY 36 -2.785 -8.576 -6.720 256 1HA GLY 36 1HA GLY 36 -0.948 -6.988 -7.168 257 2HA GLY 36 2HA GLY 36 -1.754 -6.615 -8.697 258 H ASP 37 H ASP 37 -4.445 -6.838 -7.055 259 HA ASP 37 HA ASP 37 -4.954 -4.068 -6.623 260 1HB ASP 37 1HB ASP 37 -6.247 -6.641 -5.697 261 2HB ASP 37 2HB ASP 37 -6.796 -5.102 -5.051 262 H PHE 38 H PHE 38 -3.959 -2.844 -5.032 263 HA PHE 38 HA PHE 38 -3.587 -4.077 -2.368 264 1HB PHE 38 1HB PHE 38 -1.641 -2.706 -1.927 265 2HB PHE 38 2HB PHE 38 -1.318 -3.670 -3.344 266 HD1 PHE 38 HD1 PHE 38 -0.998 -2.739 -5.523 267 HD2 PHE 38 HD2 PHE 38 -2.009 -0.239 -2.158 268 HE1 PHE 38 HE1 PHE 38 -0.514 -0.728 -6.876 269 HE2 PHE 38 HE2 PHE 38 -1.426 1.774 -3.496 270 HZ PHE 38 HZ PHE 38 -0.761 1.545 -5.863 271 H LEU 39 H LEU 39 -3.776 -2.678 -0.549 272 HA LEU 39 HA LEU 39 -4.756 0.032 -0.909 273 1HB LEU 39 1HB LEU 39 -6.674 -0.171 0.484 274 2HB LEU 39 2HB LEU 39 -6.805 -1.356 -0.788 275 HG LEU 39 HG LEU 39 -5.719 -2.896 1.273 276 1HD1 LEU 39 1HD1 LEU 39 -7.224 -0.729 2.663 277 2HD1 LEU 39 2HD1 LEU 39 -5.589 -1.376 2.964 278 3HD1 LEU 39 3HD1 LEU 39 -6.991 -2.384 3.277 279 1HD2 LEU 39 1HD2 LEU 39 -8.622 -2.091 1.034 280 2HD2 LEU 39 2HD2 LEU 39 -8.012 -3.667 1.619 281 3HD2 LEU 39 3HD2 LEU 39 -7.881 -3.222 -0.089 282 H VAL 40 H VAL 40 -4.801 1.113 1.259 283 HA VAL 40 HA VAL 40 -2.810 0.019 3.181 284 HB VAL 40 HB VAL 40 -3.283 2.889 2.290 285 1HG1 VAL 40 1HG1 VAL 40 -1.739 1.849 4.673 286 2HG1 VAL 40 2HG1 VAL 40 -1.208 3.314 3.819 287 3HG1 VAL 40 3HG1 VAL 40 -2.801 3.281 4.531 288 1HG2 VAL 40 1HG2 VAL 40 -0.880 2.701 1.640 289 2HG2 VAL 40 2HG2 VAL 40 -0.888 1.002 2.148 290 3HG2 VAL 40 3HG2 VAL 40 -1.887 1.538 0.782 291 H ARG 41 H ARG 41 -3.529 -0.203 5.172 292 HA ARG 41 HA ARG 41 -6.099 0.961 5.927 293 1HB ARG 41 1HB ARG 41 -6.873 -1.176 6.824 294 2HB ARG 41 2HB ARG 41 -6.427 -1.424 5.098 295 1HG ARG 41 1HG ARG 41 -4.261 -2.319 5.844 296 2HG ARG 41 2HG ARG 41 -4.724 -2.195 7.533 297 1HD ARG 41 1HD ARG 41 -6.732 -3.580 5.815 298 2HD ARG 41 2HD ARG 41 -5.198 -4.417 6.001 299 HE ARG 41 HE ARG 41 -7.039 -3.616 8.176 300 1HH1 ARG 41 2HH1 ARG 41 -4.263 -5.631 7.079 301 2HH1 ARG 41 1HH1 ARG 41 -4.211 -6.488 8.607 302 1HH2 ARG 41 2HH2 ARG 41 -6.718 -4.697 10.203 303 2HH2 ARG 41 1HH2 ARG 41 -5.585 -6.033 10.300 304 H GLU 42 H GLU 42 -6.306 0.428 8.538 305 HA GLU 42 HA GLU 42 -3.649 1.010 9.703 306 1HB GLU 42 1HB GLU 42 -5.208 2.846 9.494 307 2HB GLU 42 2HB GLU 42 -6.385 2.096 10.532 308 1HG GLU 42 1HG GLU 42 -3.506 2.491 11.442 309 2HG GLU 42 2HG GLU 42 -4.536 3.917 11.320 310 H SER 43 H SER 43 -3.406 0.628 12.022 311 HA SER 43 HA SER 43 -3.742 -2.141 12.593 312 1HB SER 43 1HB SER 43 -2.319 -1.708 14.495 313 2HB SER 43 2HB SER 43 -1.701 -0.795 13.133 314 HG SER 43 HG SER 43 -3.240 0.956 14.164 315 H GLN 44 H GLN 44 -4.103 -2.465 15.222 316 HA GLN 44 HA GLN 44 -6.891 -1.650 15.655 317 1HB GLN 44 1HB GLN 44 -7.142 -3.475 17.168 318 2HB GLN 44 2HB GLN 44 -6.446 -4.063 15.662 319 1HG GLN 44 1HG GLN 44 -4.203 -4.088 16.733 320 2HG GLN 44 2HG GLN 44 -4.925 -3.553 18.249 321 1HE2 GLN 44 2HE2 GLN 44 -5.742 -6.161 15.801 322 2HE2 GLN 44 1HE2 GLN 44 -5.860 -7.421 16.982 323 H GLY 45 H GLY 45 -4.073 -0.179 16.302 324 1HA GLY 45 1HA GLY 45 -4.798 1.540 18.195 325 2HA GLY 45 2HA GLY 45 -4.401 0.165 19.220 326 H LYS 46 H LYS 46 -2.268 0.248 16.518 327 HA LYS 46 HA LYS 46 -0.084 1.114 18.330 328 1HB LYS 46 1HB LYS 46 -0.119 -0.310 15.636 329 2HB LYS 46 2HB LYS 46 1.352 0.061 16.533 330 1HG LYS 46 1HG LYS 46 -0.889 -1.683 17.639 331 2HG LYS 46 2HG LYS 46 0.483 -2.276 16.713 332 1HD LYS 46 1HD LYS 46 2.076 -1.601 18.391 333 2HD LYS 46 2HD LYS 46 0.881 -0.641 19.244 334 1HE LYS 46 1HE LYS 46 1.177 -2.710 20.458 335 2HE LYS 46 2HE LYS 46 -0.445 -2.676 19.743 336 1HZ LYS 46 1HZ LYS 46 0.694 -4.811 19.466 337 2HZ LYS 46 2HZ LYS 46 1.867 -4.077 18.553 338 3HZ LYS 46 3HZ LYS 46 0.325 -4.133 18.011 339 H GLN 47 H GLN 47 -2.065 2.655 16.311 340 HA GLN 47 HA GLN 47 -2.052 4.325 14.836 341 1HB GLN 47 1HB GLN 47 0.320 5.226 16.514 342 2HB GLN 47 2HB GLN 47 -0.529 6.249 15.355 343 1HG GLN 47 1HG GLN 47 -2.512 6.313 16.636 344 2HG GLN 47 2HG GLN 47 -2.081 4.900 17.596 345 1HE2 GLN 47 2HE2 GLN 47 -1.508 5.407 19.736 346 2HE2 GLN 47 1HE2 GLN 47 -0.750 6.925 20.151 347 H GLU 48 H GLU 48 -1.132 2.015 13.733 348 HA GLU 48 HA GLU 48 1.213 2.747 12.096 349 1HB GLU 48 1HB GLU 48 1.871 1.206 13.862 350 2HB GLU 48 2HB GLU 48 0.480 0.166 13.537 351 1HG GLU 48 1HG GLU 48 1.358 -0.635 11.527 352 2HG GLU 48 2HG GLU 48 2.452 0.734 11.334 353 H TYR 49 H TYR 49 0.965 2.192 9.943 354 HA TYR 49 HA TYR 49 -1.685 1.179 9.124 355 1HB TYR 49 1HB TYR 49 0.612 2.453 7.615 356 2HB TYR 49 2HB TYR 49 -0.835 1.810 6.825 357 HD1 TYR 49 HD1 TYR 49 -3.085 2.658 8.284 358 HD2 TYR 49 HD2 TYR 49 0.594 4.769 7.524 359 HE1 TYR 49 HE1 TYR 49 -4.268 4.862 8.606 360 HE2 TYR 49 HE2 TYR 49 -0.564 6.919 7.775 361 HH TYR 49 HH TYR 49 -4.062 7.229 8.108 362 H VAL 50 H VAL 50 -1.823 -0.333 7.397 363 HA VAL 50 HA VAL 50 0.291 -2.378 7.331 364 HB VAL 50 HB VAL 50 -2.677 -2.938 7.447 365 1HG1 VAL 50 1HG1 VAL 50 -1.939 -5.203 8.109 366 2HG1 VAL 50 2HG1 VAL 50 -1.190 -4.722 6.578 367 3HG1 VAL 50 3HG1 VAL 50 -0.246 -4.679 8.070 368 1HG2 VAL 50 1HG2 VAL 50 -2.511 -1.951 9.516 369 2HG2 VAL 50 2HG2 VAL 50 -2.240 -3.668 9.878 370 3HG2 VAL 50 3HG2 VAL 50 -0.867 -2.527 9.780 371 H LEU 51 H LEU 51 0.486 -3.214 5.421 372 HA LEU 51 HA LEU 51 -0.920 -2.048 3.050 373 1HB LEU 51 1HB LEU 51 1.642 -2.240 3.279 374 2HB LEU 51 2HB LEU 51 1.452 -3.981 3.154 375 HG LEU 51 HG LEU 51 0.486 -3.704 0.886 376 1HD1 LEU 51 1HD1 LEU 51 0.747 -1.474 -0.255 377 2HD1 LEU 51 2HD1 LEU 51 1.106 -0.742 1.322 378 3HD1 LEU 51 3HD1 LEU 51 -0.489 -1.439 0.994 379 1HD2 LEU 51 1HD2 LEU 51 3.162 -2.318 1.429 380 2HD2 LEU 51 2HD2 LEU 51 2.655 -2.965 -0.146 381 3HD2 LEU 51 3HD2 LEU 51 2.888 -4.059 1.228 382 H SER 52 H SER 52 -2.362 -3.305 1.869 383 HA SER 52 HA SER 52 -2.528 -6.228 2.477 384 1HB SER 52 1HB SER 52 -5.046 -4.779 1.883 385 2HB SER 52 2HB SER 52 -4.720 -6.156 2.925 386 HG SER 52 HG SER 52 -3.949 -4.801 4.482 387 H VAL 53 H VAL 53 -1.948 -7.174 0.567 388 HA VAL 53 HA VAL 53 -3.212 -6.079 -1.887 389 HB VAL 53 HB VAL 53 -0.917 -5.368 -1.792 390 1HG1 VAL 53 1HG1 VAL 53 0.052 -8.211 -2.103 391 2HG1 VAL 53 2HG1 VAL 53 0.979 -6.744 -1.786 392 3HG1 VAL 53 3HG1 VAL 53 -0.026 -7.430 -0.513 393 1HG2 VAL 53 1HG2 VAL 53 -1.911 -5.802 -4.021 394 2HG2 VAL 53 2HG2 VAL 53 -0.199 -5.996 -4.007 395 3HG2 VAL 53 3HG2 VAL 53 -1.227 -7.436 -4.004 396 H LEU 54 H LEU 54 -3.571 -7.740 -3.572 397 HA LEU 54 HA LEU 54 -3.989 -10.459 -2.404 398 1HB LEU 54 1HB LEU 54 -5.871 -9.074 -3.436 399 2HB LEU 54 2HB LEU 54 -5.083 -9.275 -4.986 400 HG LEU 54 HG LEU 54 -5.231 -11.869 -4.268 401 1HD1 LEU 54 1HD1 LEU 54 -7.007 -12.500 -2.936 402 2HD1 LEU 54 2HD1 LEU 54 -7.596 -10.825 -2.761 403 3HD1 LEU 54 3HD1 LEU 54 -6.045 -11.318 -2.040 404 1HD2 LEU 54 1HD2 LEU 54 -7.630 -10.313 -5.250 405 2HD2 LEU 54 2HD2 LEU 54 -7.357 -12.058 -5.428 406 3HD2 LEU 54 3HD2 LEU 54 -6.293 -10.918 -6.260 407 H TRP 55 H TRP 55 -2.447 -11.948 -3.018 408 HA TRP 55 HA TRP 55 -1.112 -11.610 -5.665 409 1HB TRP 55 1HB TRP 55 0.262 -10.813 -3.662 410 2HB TRP 55 2HB TRP 55 0.313 -12.477 -3.111 411 HD1 TRP 55 HD1 TRP 55 2.686 -13.340 -3.750 412 HE1 TRP 55 HE1 TRP 55 4.412 -12.905 -5.633 413 HE3 TRP 55 HE3 TRP 55 -0.005 -10.000 -6.535 414 HZ2 TRP 55 HZ2 TRP 55 4.716 -10.962 -7.802 415 HZ3 TRP 55 HZ3 TRP 55 1.027 -8.828 -8.416 416 HH2 TRP 55 HH2 TRP 55 3.388 -9.370 -9.106 417 H ASP 56 H ASP 56 -1.618 -13.300 -6.836 418 HA ASP 56 HA ASP 56 -2.783 -15.154 -7.415 419 1HB ASP 56 1HB ASP 56 -0.403 -15.721 -7.422 420 2HB ASP 56 2HB ASP 56 -0.536 -16.286 -5.747 421 H GLY 57 H GLY 57 -4.626 -14.405 -5.894 422 1HA GLY 57 1HA GLY 57 -6.441 -15.150 -4.684 423 2HA GLY 57 2HA GLY 57 -5.755 -16.773 -4.800 424 H LEU 58 H LEU 58 -3.927 -14.181 -3.285 425 HA LEU 58 HA LEU 58 -4.718 -15.068 -0.579 426 1HB LEU 58 1HB LEU 58 -2.984 -16.475 -0.763 427 2HB LEU 58 2HB LEU 58 -1.983 -15.371 -1.697 428 HG LEU 58 HG LEU 58 -1.392 -14.103 0.220 429 1HD1 LEU 58 1HD1 LEU 58 -3.266 -15.837 1.860 430 2HD1 LEU 58 2HD1 LEU 58 -3.424 -14.094 1.590 431 3HD1 LEU 58 3HD1 LEU 58 -2.063 -14.719 2.515 432 1HD2 LEU 58 1HD2 LEU 58 -0.194 -15.829 1.501 433 2HD2 LEU 58 2HD2 LEU 58 -0.147 -16.176 -0.230 434 3HD2 LEU 58 3HD2 LEU 58 -1.247 -17.073 0.837 435 HA PRO 59 HA PRO 59 -4.414 -10.540 -0.364 436 1HB PRO 59 1HB PRO 59 -6.164 -10.224 1.696 437 2HB PRO 59 2HB PRO 59 -6.681 -10.386 -0.009 438 1HG PRO 59 1HG PRO 59 -6.545 -12.522 2.108 439 2HG PRO 59 2HG PRO 59 -7.847 -12.209 0.898 440 1HD PRO 59 1HD PRO 59 -5.910 -14.132 0.737 441 2HD PRO 59 2HD PRO 59 -6.693 -13.401 -0.696 442 H ARG 60 H ARG 60 -2.253 -10.582 0.343 443 HA ARG 60 HA ARG 60 -1.312 -11.862 2.597 444 1HB ARG 60 1HB ARG 60 -0.261 -9.698 0.874 445 2HB ARG 60 2HB ARG 60 0.662 -10.233 2.287 446 1HG ARG 60 1HG ARG 60 -0.494 -12.135 0.216 447 2HG ARG 60 2HG ARG 60 1.076 -11.400 0.017 448 1HD ARG 60 1HD ARG 60 0.660 -13.688 1.069 449 2HD ARG 60 2HD ARG 60 2.020 -12.634 1.586 450 HE ARG 60 HE ARG 60 -0.140 -12.470 3.411 451 1HH1 ARG 60 2HH1 ARG 60 2.231 -14.852 2.307 452 2HH1 ARG 60 1HH1 ARG 60 1.815 -15.993 3.541 453 1HH2 ARG 60 2HH2 ARG 60 -0.797 -14.013 4.869 454 2HH2 ARG 60 1HH2 ARG 60 0.082 -15.485 5.068 455 H HIS 61 H HIS 61 0.021 -10.212 4.293 456 HA HIS 61 HA HIS 61 -1.097 -7.635 4.578 457 1HB HIS 61 1HB HIS 61 -1.292 -7.722 7.062 458 2HB HIS 61 2HB HIS 61 -2.544 -8.630 6.236 459 HD1 HIS 61 HD1 HIS 61 0.102 -9.072 8.874 460 HD2 HIS 61 HD2 HIS 61 -2.313 -11.380 6.303 461 HE1 HIS 61 HE1 HIS 61 0.158 -11.456 9.766 462 H PHE 62 H PHE 62 0.720 -6.378 4.714 463 HA PHE 62 HA PHE 62 2.927 -7.373 6.425 464 1HB PHE 62 1HB PHE 62 3.487 -5.800 3.891 465 2HB PHE 62 2HB PHE 62 4.632 -6.531 4.984 466 HD1 PHE 62 HD1 PHE 62 2.318 -6.998 2.187 467 HD2 PHE 62 HD2 PHE 62 5.061 -9.075 4.802 468 HE1 PHE 62 HE1 PHE 62 2.282 -8.901 0.695 469 HE2 PHE 62 HE2 PHE 62 5.137 -10.950 3.202 470 HZ PHE 62 HZ PHE 62 3.723 -10.925 1.160 471 H ILE 63 H ILE 63 3.418 -5.837 7.947 472 HA ILE 63 HA ILE 63 1.891 -3.425 8.253 473 HB ILE 63 HB ILE 63 4.425 -4.562 9.458 474 1HG1 ILE 63 1HG1 ILE 63 2.331 -5.673 10.039 475 2HG1 ILE 63 2HG1 ILE 63 3.102 -4.945 11.430 476 1HG2 ILE 63 1HG2 ILE 63 3.235 -1.881 10.124 477 2HG2 ILE 63 2HG2 ILE 63 4.252 -2.822 11.256 478 3HG2 ILE 63 3HG2 ILE 63 4.907 -2.320 9.718 479 1HD1 ILE 63 1HD1 ILE 63 0.713 -4.583 11.595 480 2HD1 ILE 63 2HD1 ILE 63 1.438 -3.002 11.242 481 3HD1 ILE 63 3HD1 ILE 63 0.652 -3.946 9.960 482 H ILE 64 H ILE 64 2.366 -1.259 7.756 483 HA ILE 64 HA ILE 64 4.053 -0.865 5.455 484 HB ILE 64 HB ILE 64 2.868 1.162 7.399 485 1HG1 ILE 64 1HG1 ILE 64 1.247 -0.244 6.022 486 2HG1 ILE 64 2HG1 ILE 64 1.157 1.479 5.730 487 1HG2 ILE 64 1HG2 ILE 64 3.226 2.810 5.554 488 2HG2 ILE 64 2HG2 ILE 64 4.689 2.310 6.394 489 3HG2 ILE 64 3HG2 ILE 64 4.325 1.657 4.784 490 1HD1 ILE 64 1HD1 ILE 64 2.645 -0.407 3.896 491 2HD1 ILE 64 2HD1 ILE 64 0.966 0.141 3.676 492 3HD1 ILE 64 3HD1 ILE 64 2.295 1.310 3.646 493 H GLN 65 H GLN 65 5.969 -0.004 5.272 494 HA GLN 65 HA GLN 65 8.055 -0.753 7.003 495 1HB GLN 65 1HB GLN 65 8.323 1.628 5.131 496 2HB GLN 65 2HB GLN 65 9.484 0.414 5.471 497 1HG GLN 65 1HG GLN 65 8.829 -0.006 3.303 498 2HG GLN 65 2HG GLN 65 7.862 -1.196 4.182 499 1HE2 GLN 65 2HE2 GLN 65 7.861 1.890 2.333 500 2HE2 GLN 65 1HE2 GLN 65 6.136 1.841 2.007 501 H SER 66 H SER 66 9.622 0.546 8.190 502 HA SER 66 HA SER 66 9.045 3.207 8.972 503 1HB SER 66 1HB SER 66 8.364 2.742 11.209 504 2HB SER 66 2HB SER 66 7.193 2.114 10.050 505 HG SER 66 HG SER 66 7.613 0.687 11.842 506 H LEU 67 H LEU 67 10.941 3.972 9.495 507 HA LEU 67 HA LEU 67 12.882 2.312 11.010 508 1HB LEU 67 1HB LEU 67 14.752 3.597 9.916 509 2HB LEU 67 2HB LEU 67 14.087 2.232 9.066 510 HG LEU 67 HG LEU 67 13.067 5.009 8.340 511 1HD1 LEU 67 1HD1 LEU 67 15.736 3.809 7.516 512 2HD1 LEU 67 2HD1 LEU 67 15.468 5.345 8.356 513 3HD1 LEU 67 3HD1 LEU 67 14.948 5.132 6.668 514 1HD2 LEU 67 1HD2 LEU 67 13.010 3.914 6.067 515 2HD2 LEU 67 2HD2 LEU 67 11.995 3.082 7.253 516 3HD2 LEU 67 3HD2 LEU 67 13.594 2.431 6.855 517 H ASP 68 H ASP 68 12.826 5.718 9.866 518 HA ASP 68 HA ASP 68 13.011 6.549 12.733 519 1HB ASP 68 1HB ASP 68 14.653 7.320 10.302 520 2HB ASP 68 2HB ASP 68 14.457 8.396 11.681 521 H ASN 69 H ASN 69 12.615 7.935 9.479 522 HA ASN 69 HA ASN 69 9.952 8.886 10.093 523 1HB ASN 69 1HB ASN 69 11.387 10.693 11.021 524 2HB ASN 69 2HB ASN 69 12.140 10.904 9.442 525 1HD2 ASN 69 2HD2 ASN 69 11.283 12.832 8.627 526 2HD2 ASN 69 1HD2 ASN 69 9.559 13.145 8.509 527 H LEU 70 H LEU 70 11.140 6.967 8.397 528 HA LEU 70 HA LEU 70 10.252 7.912 5.762 529 1HB LEU 70 1HB LEU 70 12.770 6.228 5.824 530 2HB LEU 70 2HB LEU 70 12.072 7.048 4.495 531 HG LEU 70 HG LEU 70 13.062 8.820 6.725 532 1HD1 LEU 70 1HD1 LEU 70 14.875 7.297 4.843 533 2HD1 LEU 70 2HD1 LEU 70 14.882 7.346 6.629 534 3HD1 LEU 70 3HD1 LEU 70 15.326 8.786 5.705 535 1HD2 LEU 70 1HD2 LEU 70 13.230 9.040 3.701 536 2HD2 LEU 70 2HD2 LEU 70 13.474 10.309 4.919 537 3HD2 LEU 70 3HD2 LEU 70 11.854 9.614 4.670 538 H TYR 71 H TYR 71 10.198 5.938 4.266 539 HA TYR 71 HA TYR 71 9.369 3.498 5.764 540 1HB TYR 71 1HB TYR 71 7.968 4.779 3.326 541 2HB TYR 71 2HB TYR 71 7.331 3.530 4.381 542 HD1 TYR 71 HD1 TYR 71 7.488 7.112 3.764 543 HD2 TYR 71 HD2 TYR 71 6.986 4.179 6.842 544 HE1 TYR 71 HE1 TYR 71 6.470 8.834 5.238 545 HE2 TYR 71 HE2 TYR 71 5.981 5.795 8.320 546 HH TYR 71 HH TYR 71 5.357 9.234 7.335 547 H ARG 72 H ARG 72 10.657 1.759 4.789 548 HA ARG 72 HA ARG 72 11.336 1.931 1.911 549 1HB ARG 72 1HB ARG 72 13.604 1.414 2.282 550 2HB ARG 72 2HB ARG 72 13.235 2.885 3.161 551 1HG ARG 72 1HG ARG 72 14.543 1.869 4.696 552 2HG ARG 72 2HG ARG 72 12.961 1.237 5.211 553 1HD ARG 72 1HD ARG 72 13.398 -0.893 4.437 554 2HD ARG 72 2HD ARG 72 14.581 -0.351 3.234 555 HE ARG 72 HE ARG 72 15.571 0.183 5.869 556 1HH1 ARG 72 2HH1 ARG 72 15.195 -2.445 3.459 557 2HH1 ARG 72 1HH1 ARG 72 16.199 -3.534 4.338 558 1HH2 ARG 72 2HH2 ARG 72 17.140 -1.287 6.859 559 2HH2 ARG 72 1HH2 ARG 72 17.366 -2.855 6.150 560 H LEU 73 H LEU 73 11.478 -0.141 0.891 561 HA LEU 73 HA LEU 73 10.951 -2.468 2.659 562 1HB LEU 73 1HB LEU 73 8.869 -1.303 1.708 563 2HB LEU 73 2HB LEU 73 9.388 -1.807 0.142 564 HG LEU 73 HG LEU 73 9.282 -4.125 0.706 565 1HD1 LEU 73 1HD1 LEU 73 8.232 -4.955 2.754 566 2HD1 LEU 73 2HD1 LEU 73 8.092 -3.310 3.412 567 3HD1 LEU 73 3HD1 LEU 73 9.681 -4.075 3.194 568 1HD2 LEU 73 1HD2 LEU 73 7.472 -2.845 -0.225 569 2HD2 LEU 73 2HD2 LEU 73 6.789 -2.535 1.394 570 3HD2 LEU 73 3HD2 LEU 73 6.890 -4.195 0.718 571 H GLU 74 H GLU 74 12.074 -1.343 -0.533 572 HA GLU 74 HA GLU 74 13.678 -3.805 -0.566 573 1HB GLU 74 1HB GLU 74 11.903 -4.150 -2.224 574 2HB GLU 74 2HB GLU 74 12.377 -2.701 -3.058 575 1HG GLU 74 1HG GLU 74 13.337 -4.449 -4.292 576 2HG GLU 74 2HG GLU 74 14.690 -3.790 -3.385 577 H GLY 75 H GLY 75 13.106 -0.808 -2.358 578 1HA GLY 75 1HA GLY 75 15.883 -0.103 -2.697 579 2HA GLY 75 2HA GLY 75 14.408 0.744 -3.205 580 H GLU 76 H GLU 76 15.861 2.613 -2.478 581 HA GLU 76 HA GLU 76 16.232 3.130 0.316 582 1HB GLU 76 1HB GLU 76 16.862 5.283 -0.219 583 2HB GLU 76 2HB GLU 76 17.423 4.284 -1.555 584 1HG GLU 76 1HG GLU 76 15.473 5.079 -2.909 585 2HG GLU 76 2HG GLU 76 14.974 6.110 -1.557 586 H GLY 77 H GLY 77 15.207 4.996 1.400 587 1HA GLY 77 1HA GLY 77 12.329 4.485 1.606 588 2HA GLY 77 2HA GLY 77 13.406 5.114 2.858 589 H PHE 78 H PHE 78 10.885 6.206 2.081 590 HA PHE 78 HA PHE 78 11.703 8.840 0.898 591 1HB PHE 78 1HB PHE 78 9.384 7.022 0.188 592 2HB PHE 78 2HB PHE 78 9.226 8.718 -0.004 593 HD1 PHE 78 HD1 PHE 78 11.474 5.880 -1.128 594 HD2 PHE 78 HD2 PHE 78 10.089 9.917 -1.860 595 HE1 PHE 78 HE1 PHE 78 12.490 5.840 -3.372 596 HE2 PHE 78 HE2 PHE 78 11.072 9.824 -4.121 597 HZ PHE 78 HZ PHE 78 12.255 7.790 -4.888 598 HA PRO 79 HA PRO 79 9.711 10.722 4.309 599 1HB PRO 79 1HB PRO 79 8.796 13.105 3.285 600 2HB PRO 79 2HB PRO 79 10.544 12.712 3.407 601 1HG PRO 79 1HG PRO 79 8.688 12.342 1.038 602 2HG PRO 79 2HG PRO 79 10.259 13.216 1.052 603 1HD PRO 79 1HD PRO 79 10.109 10.662 0.239 604 2HD PRO 79 2HD PRO 79 11.470 11.182 1.276 605 H SER 80 H SER 80 7.705 9.792 1.624 606 HA SER 80 HA SER 80 5.281 10.040 3.316 607 1HB SER 80 1HB SER 80 5.176 10.542 0.341 608 2HB SER 80 2HB SER 80 3.989 10.872 1.512 609 HG SER 80 HG SER 80 5.290 12.771 0.758 610 H ILE 81 H ILE 81 3.837 8.361 2.979 611 HA ILE 81 HA ILE 81 4.956 5.828 2.098 612 HB ILE 81 HB ILE 81 2.189 6.684 3.021 613 1HG1 ILE 81 1HG1 ILE 81 4.142 4.672 4.213 614 2HG1 ILE 81 2HG1 ILE 81 4.244 6.382 4.615 615 1HG2 ILE 81 1HG2 ILE 81 1.851 4.897 1.362 616 2HG2 ILE 81 2HG2 ILE 81 3.087 3.910 2.161 617 3HG2 ILE 81 3HG2 ILE 81 1.561 4.281 2.979 618 1HD1 ILE 81 1HD1 ILE 81 2.062 6.394 5.638 619 2HD1 ILE 81 2HD1 ILE 81 1.772 4.699 5.179 620 3HD1 ILE 81 3HD1 ILE 81 3.043 5.111 6.340 621 HA PRO 82 HA PRO 82 2.069 6.607 -1.612 622 1HB PRO 82 1HB PRO 82 1.658 9.271 -2.437 623 2HB PRO 82 2HB PRO 82 0.521 8.299 -1.471 624 1HG PRO 82 1HG PRO 82 2.476 10.320 -0.469 625 2HG PRO 82 2HG PRO 82 0.811 10.012 0.083 626 1HD PRO 82 1HD PRO 82 2.866 9.144 1.431 627 2HD PRO 82 2HD PRO 82 1.436 8.138 1.328 628 H LEU 83 H LEU 83 4.722 8.826 -1.013 629 HA LEU 83 HA LEU 83 5.785 8.872 -3.666 630 1HB LEU 83 1HB LEU 83 6.743 9.531 -0.891 631 2HB LEU 83 2HB LEU 83 7.936 9.361 -2.135 632 HG LEU 83 HG LEU 83 5.565 11.232 -2.455 633 1HD1 LEU 83 1HD1 LEU 83 8.419 11.924 -1.587 634 2HD1 LEU 83 2HD1 LEU 83 7.041 11.827 -0.479 635 3HD1 LEU 83 3HD1 LEU 83 7.044 13.029 -1.763 636 1HD2 LEU 83 1HD2 LEU 83 6.783 10.546 -4.573 637 2HD2 LEU 83 2HD2 LEU 83 8.262 11.222 -3.883 638 3HD2 LEU 83 3HD2 LEU 83 6.854 12.266 -4.195 639 H LEU 84 H LEU 84 6.304 6.662 -0.927 640 HA LEU 84 HA LEU 84 8.460 5.249 -2.212 641 1HB LEU 84 1HB LEU 84 7.599 5.381 0.289 642 2HB LEU 84 2HB LEU 84 6.488 4.088 -0.201 643 HG LEU 84 HG LEU 84 8.420 3.241 1.001 644 1HD1 LEU 84 1HD1 LEU 84 8.736 2.320 -1.844 645 2HD1 LEU 84 2HD1 LEU 84 7.356 1.831 -0.821 646 3HD1 LEU 84 3HD1 LEU 84 9.027 1.406 -0.369 647 1HD2 LEU 84 1HD2 LEU 84 10.090 4.900 0.283 648 2HD2 LEU 84 2HD2 LEU 84 10.128 4.158 -1.335 649 3HD2 LEU 84 3HD2 LEU 84 10.667 3.249 0.079 650 H ILE 85 H ILE 85 4.951 4.809 -1.986 651 HA ILE 85 HA ILE 85 4.743 2.387 -3.397 652 HB ILE 85 HB ILE 85 2.881 4.770 -3.123 653 1HG1 ILE 85 1HG1 ILE 85 3.207 3.630 -1.049 654 2HG1 ILE 85 2HG1 ILE 85 1.613 3.238 -1.645 655 1HG2 ILE 85 1HG2 ILE 85 2.196 2.165 -4.508 656 2HG2 ILE 85 2HG2 ILE 85 1.014 3.369 -3.967 657 3HG2 ILE 85 3HG2 ILE 85 2.187 3.766 -5.223 658 1HD1 ILE 85 1HD1 ILE 85 2.567 1.029 -2.483 659 2HD1 ILE 85 2HD1 ILE 85 4.108 1.468 -1.663 660 3HD1 ILE 85 3HD1 ILE 85 2.652 1.224 -0.744 661 H ASP 86 H ASP 86 5.101 5.712 -4.766 662 HA ASP 86 HA ASP 86 4.559 4.745 -7.414 663 1HB ASP 86 1HB ASP 86 4.584 7.098 -6.717 664 2HB ASP 86 2HB ASP 86 6.340 7.082 -6.612 665 H HIS 87 H HIS 87 7.623 5.075 -5.591 666 HA HIS 87 HA HIS 87 9.185 4.132 -7.806 667 1HB HIS 87 1HB HIS 87 9.989 5.552 -5.853 668 2HB HIS 87 2HB HIS 87 10.020 4.049 -4.906 669 HD1 HIS 87 HD1 HIS 87 11.846 5.801 -7.794 670 HD2 HIS 87 HD2 HIS 87 12.025 2.362 -5.374 671 HE1 HIS 87 HE1 HIS 87 14.124 4.768 -8.199 672 H LEU 88 H LEU 88 7.017 2.435 -5.907 673 HA LEU 88 HA LEU 88 8.363 -0.267 -6.262 674 1HB LEU 88 1HB LEU 88 6.004 0.791 -4.675 675 2HB LEU 88 2HB LEU 88 6.213 -0.912 -5.086 676 HG LEU 88 HG LEU 88 7.575 0.893 -3.140 677 1HD1 LEU 88 1HD1 LEU 88 6.963 -2.035 -3.407 678 2HD1 LEU 88 2HD1 LEU 88 5.991 -0.836 -2.540 679 3HD1 LEU 88 3HD1 LEU 88 7.601 -1.293 -1.913 680 1HD2 LEU 88 1HD2 LEU 88 9.256 -1.312 -4.407 681 2HD2 LEU 88 2HD2 LEU 88 9.627 -0.467 -2.894 682 3HD2 LEU 88 3HD2 LEU 88 9.619 0.425 -4.410 683 H LEU 89 H LEU 89 5.567 1.834 -7.150 684 HA LEU 89 HA LEU 89 4.277 -0.264 -8.623 685 1HB LEU 89 1HB LEU 89 3.402 1.972 -7.396 686 2HB LEU 89 2HB LEU 89 3.480 2.627 -9.023 687 HG LEU 89 HG LEU 89 2.273 -0.071 -8.583 688 1HD1 LEU 89 1HD1 LEU 89 0.057 1.050 -7.986 689 2HD1 LEU 89 2HD1 LEU 89 0.950 2.563 -7.788 690 3HD1 LEU 89 3HD1 LEU 89 1.312 1.172 -6.736 691 1HD2 LEU 89 1HD2 LEU 89 2.192 0.545 -10.791 692 2HD2 LEU 89 2HD2 LEU 89 1.459 2.145 -10.395 693 3HD2 LEU 89 3HD2 LEU 89 0.541 0.638 -10.139 694 H SER 90 H SER 90 6.473 2.333 -9.398 695 HA SER 90 HA SER 90 5.938 2.103 -12.213 696 1HB SER 90 1HB SER 90 6.656 4.273 -11.320 697 2HB SER 90 2HB SER 90 8.061 3.544 -10.529 698 HG SER 90 HG SER 90 7.696 3.682 -13.346 699 H THR 91 H THR 91 8.084 0.669 -9.802 700 HA THR 91 HA THR 91 10.034 -0.259 -11.771 701 HB THR 91 HB THR 91 11.337 -0.753 -9.735 702 HG1 THR 91 HG1 THR 91 9.823 0.411 -7.900 703 1HG2 THR 91 1HG2 THR 91 11.338 1.623 -10.580 704 2HG2 THR 91 2HG2 THR 91 11.598 1.522 -8.825 705 3HG2 THR 91 3HG2 THR 91 10.033 2.018 -9.444 706 H GLN 92 H GLN 92 7.644 -1.499 -9.464 707 HA GLN 92 HA GLN 92 6.554 -3.430 -9.270 708 1HB GLN 92 1HB GLN 92 7.786 -4.584 -11.772 709 2HB GLN 92 2HB GLN 92 6.268 -5.005 -11.024 710 1HG GLN 92 1HG GLN 92 6.742 -2.286 -12.348 711 2HG GLN 92 2HG GLN 92 6.186 -3.704 -13.198 712 1HE2 GLN 92 2HE2 GLN 92 5.256 -2.053 -10.041 713 2HE2 GLN 92 1HE2 GLN 92 3.696 -2.724 -10.135 714 H GLN 93 H GLN 93 8.866 -2.874 -8.045 715 HA GLN 93 HA GLN 93 10.767 -5.043 -7.779 716 1HB GLN 93 1HB GLN 93 9.955 -2.581 -6.249 717 2HB GLN 93 2HB GLN 93 10.769 -3.839 -5.308 718 1HG GLN 93 1HG GLN 93 12.683 -3.798 -6.610 719 2HG GLN 93 2HG GLN 93 11.947 -2.860 -7.890 720 1HE2 GLN 93 2HE2 GLN 93 11.230 -0.649 -7.304 721 2HE2 GLN 93 1HE2 GLN 93 12.266 0.269 -6.238 722 HA PRO 94 HA PRO 94 8.257 -7.592 -4.960 723 1HB PRO 94 1HB PRO 94 10.134 -8.958 -3.533 724 2HB PRO 94 2HB PRO 94 9.920 -9.257 -5.284 725 1HG PRO 94 1HG PRO 94 11.914 -7.423 -3.899 726 2HG PRO 94 2HG PRO 94 12.263 -8.638 -5.163 727 1HD PRO 94 1HD PRO 94 11.902 -5.923 -5.698 728 2HD PRO 94 2HD PRO 94 11.440 -7.192 -6.859 729 H LEU 95 H LEU 95 7.589 -7.703 -2.809 730 HA LEU 95 HA LEU 95 8.262 -5.378 -1.130 731 1HB LEU 95 1HB LEU 95 6.381 -7.696 -0.591 732 2HB LEU 95 2HB LEU 95 6.526 -6.246 0.363 733 HG LEU 95 HG LEU 95 5.383 -6.561 -2.395 734 1HD1 LEU 95 1HD1 LEU 95 3.384 -5.601 -1.317 735 2HD1 LEU 95 2HD1 LEU 95 4.318 -5.344 0.171 736 3HD1 LEU 95 3HD1 LEU 95 3.982 -6.988 -0.380 737 1HD2 LEU 95 1HD2 LEU 95 5.029 -4.268 -2.755 738 2HD2 LEU 95 2HD2 LEU 95 6.751 -4.511 -2.498 739 3HD2 LEU 95 3HD2 LEU 95 5.742 -3.818 -1.205 740 H THR 96 H THR 96 8.780 -8.950 -1.063 741 HA THR 96 HA THR 96 11.014 -8.552 0.700 742 HB THR 96 HB THR 96 9.560 -8.640 2.542 743 HG1 THR 96 HG1 THR 96 10.930 -10.227 3.071 744 1HG2 THR 96 1HG2 THR 96 7.694 -10.276 2.806 745 2HG2 THR 96 2HG2 THR 96 7.932 -10.779 1.119 746 3HG2 THR 96 3HG2 THR 96 7.408 -9.125 1.500 747 H LYS 97 H LYS 97 12.414 -10.248 0.540 748 HA LYS 97 HA LYS 97 12.247 -12.200 -1.512 749 1HB LYS 97 1HB LYS 97 14.161 -11.261 0.390 750 2HB LYS 97 2HB LYS 97 14.018 -12.989 0.657 751 1HG LYS 97 1HG LYS 97 15.805 -12.516 -0.915 752 2HG LYS 97 2HG LYS 97 14.520 -13.395 -1.748 753 1HD LYS 97 1HD LYS 97 13.686 -11.275 -2.722 754 2HD LYS 97 2HD LYS 97 14.883 -10.356 -1.839 755 1HE LYS 97 1HE LYS 97 15.643 -12.572 -3.802 756 2HE LYS 97 2HE LYS 97 15.286 -10.920 -4.333 757 1HZ LYS 97 1HZ LYS 97 17.496 -11.710 -2.546 758 2HZ LYS 97 2HZ LYS 97 17.003 -10.144 -2.811 759 3HZ LYS 97 3HZ LYS 97 17.564 -11.047 -4.053 760 H LYS 98 H LYS 98 10.414 -12.214 1.354 761 HA LYS 98 HA LYS 98 10.329 -15.168 1.383 762 1HB LYS 98 1HB LYS 98 8.908 -13.010 3.042 763 2HB LYS 98 2HB LYS 98 8.566 -14.733 3.222 764 1HG LYS 98 1HG LYS 98 11.324 -13.510 3.598 765 2HG LYS 98 2HG LYS 98 10.181 -13.856 4.904 766 1HD LYS 98 1HD LYS 98 10.422 -16.162 4.739 767 2HD LYS 98 2HD LYS 98 10.766 -16.127 3.032 768 1HE LYS 98 1HE LYS 98 12.806 -16.747 4.082 769 2HE LYS 98 2HE LYS 98 12.997 -15.088 3.478 770 1HZ LYS 98 1HZ LYS 98 12.303 -15.790 6.273 771 2HZ LYS 98 2HZ LYS 98 12.630 -14.288 5.735 772 3HZ LYS 98 3HZ LYS 98 13.828 -15.406 5.786 773 H SER 99 H SER 99 8.640 -12.701 -0.337 774 HA SER 99 HA SER 99 6.816 -14.835 -1.137 775 1HB SER 99 1HB SER 99 4.842 -13.027 -0.641 776 2HB SER 99 2HB SER 99 5.352 -14.293 0.472 777 HG SER 99 HG SER 99 6.157 -12.930 1.770 778 H GLY 100 H GLY 100 8.569 -12.085 -1.999 779 1HA GLY 100 1HA GLY 100 8.982 -11.100 -3.931 780 2HA GLY 100 2HA GLY 100 8.266 -12.480 -4.715 781 H VAL 101 H VAL 101 5.792 -11.063 -2.955 782 HA VAL 101 HA VAL 101 4.032 -10.146 -4.609 783 HB VAL 101 HB VAL 101 4.985 -8.716 -2.117 784 1HG1 VAL 101 1HG1 VAL 101 2.639 -8.270 -1.681 785 2HG1 VAL 101 2HG1 VAL 101 3.130 -7.642 -3.245 786 3HG1 VAL 101 3HG1 VAL 101 2.168 -9.140 -3.161 787 1HG2 VAL 101 1HG2 VAL 101 3.630 -11.382 -2.287 788 2HG2 VAL 101 2HG2 VAL 101 5.010 -10.816 -1.279 789 3HG2 VAL 101 3HG2 VAL 101 3.377 -10.291 -0.915 790 H VAL 102 H VAL 102 3.776 -8.472 -6.234 791 HA VAL 102 HA VAL 102 5.457 -6.059 -5.831 792 HB VAL 102 HB VAL 102 6.286 -5.964 -7.859 793 1HG1 VAL 102 1HG1 VAL 102 7.225 -8.013 -8.690 794 2HG1 VAL 102 2HG1 VAL 102 7.206 -8.018 -6.935 795 3HG1 VAL 102 3HG1 VAL 102 6.001 -8.966 -7.842 796 1HG2 VAL 102 1HG2 VAL 102 4.481 -5.745 -9.281 797 2HG2 VAL 102 2HG2 VAL 102 5.441 -7.057 -9.960 798 3HG2 VAL 102 3HG2 VAL 102 3.977 -7.412 -9.039 799 H LEU 103 H LEU 103 4.450 -4.080 -6.187 800 HA LEU 103 HA LEU 103 1.612 -3.943 -5.978 801 1HB LEU 103 1HB LEU 103 3.552 -1.862 -7.048 802 2HB LEU 103 2HB LEU 103 1.889 -1.557 -6.563 803 HG LEU 103 HG LEU 103 4.210 -2.284 -4.728 804 1HD1 LEU 103 1HD1 LEU 103 3.914 -0.004 -3.954 805 2HD1 LEU 103 2HD1 LEU 103 2.468 0.175 -4.983 806 3HD1 LEU 103 3HD1 LEU 103 4.061 0.037 -5.722 807 1HD2 LEU 103 1HD2 LEU 103 1.372 -1.526 -3.888 808 2HD2 LEU 103 2HD2 LEU 103 2.733 -2.030 -2.853 809 3HD2 LEU 103 3HD2 LEU 103 1.963 -3.185 -3.945 810 H HIS 104 H HIS 104 -0.004 -3.664 -7.591 811 HA HIS 104 HA HIS 104 0.983 -3.147 -10.335 812 1HB HIS 104 1HB HIS 104 -0.101 -5.724 -9.359 813 2HB HIS 104 2HB HIS 104 -0.826 -5.141 -10.843 814 HD1 HIS 104 HD1 HIS 104 1.374 -4.407 -12.730 815 HD2 HIS 104 HD2 HIS 104 1.698 -7.408 -9.811 816 HE1 HIS 104 HE1 HIS 104 3.256 -5.921 -13.489 817 H ARG 105 H ARG 105 -1.911 -3.374 -8.079 818 HA ARG 105 HA ARG 105 -3.136 -1.329 -9.806 819 1HB ARG 105 1HB ARG 105 -3.917 -3.703 -10.412 820 2HB ARG 105 2HB ARG 105 -4.671 -3.756 -8.817 821 1HG ARG 105 1HG ARG 105 -6.399 -3.093 -10.227 822 2HG ARG 105 2HG ARG 105 -5.854 -1.542 -9.597 823 1HD ARG 105 1HD ARG 105 -4.191 -1.835 -11.792 824 2HD ARG 105 2HD ARG 105 -5.619 -2.730 -12.338 825 HE ARG 105 HE ARG 105 -6.055 -0.062 -11.171 826 1HH1 ARG 105 2HH1 ARG 105 -5.657 -1.908 -14.176 827 2HH1 ARG 105 1HH1 ARG 105 -6.174 -0.622 -15.208 828 1HH2 ARG 105 2HH2 ARG 105 -6.442 1.713 -12.537 829 2HH2 ARG 105 1HH2 ARG 105 -6.925 1.439 -14.195 830 H ALA 106 H ALA 106 -4.506 0.082 -8.648 831 HA ALA 106 HA ALA 106 -4.290 -0.133 -5.669 832 1HB ALA 106 1HB ALA 106 -3.063 1.720 -6.749 833 2HB ALA 106 2HB ALA 106 -4.562 2.275 -7.525 834 3HB ALA 106 3HB ALA 106 -4.409 2.311 -5.765 835 H VAL 107 H VAL 107 -6.250 -0.691 -4.679 836 HA VAL 107 HA VAL 107 -8.789 -0.521 -6.032 837 HB VAL 107 HB VAL 107 -8.290 -0.633 -3.016 838 1HG1 VAL 107 1HG1 VAL 107 -10.643 -0.193 -3.826 839 2HG1 VAL 107 2HG1 VAL 107 -10.586 -1.772 -4.656 840 3HG1 VAL 107 3HG1 VAL 107 -10.421 -1.641 -2.881 841 1HG2 VAL 107 1HG2 VAL 107 -8.221 -2.889 -5.041 842 2HG2 VAL 107 2HG2 VAL 107 -7.001 -2.435 -3.808 843 3HG2 VAL 107 3HG2 VAL 107 -8.549 -3.097 -3.306 844 HA PRO 108 HA PRO 108 -9.191 3.836 -4.957 845 1HB PRO 108 1HB PRO 108 -11.243 4.520 -6.551 846 2HB PRO 108 2HB PRO 108 -9.569 4.313 -7.141 847 1HG PRO 108 1HG PRO 108 -11.937 2.453 -7.500 848 2HG PRO 108 2HG PRO 108 -10.464 2.601 -8.511 849 1HD PRO 108 1HD PRO 108 -11.024 0.664 -6.473 850 2HD PRO 108 2HD PRO 108 -9.548 0.861 -7.463 851 H SER 109 H SER 109 -9.893 3.940 -2.939 852 HA SER 109 HA SER 109 -12.619 3.241 -2.134 853 1HB SER 109 1HB SER 109 -10.483 3.210 -0.690 854 2HB SER 109 2HB SER 109 -10.600 4.958 -0.633 855 HG SER 109 HG SER 109 -12.297 4.845 0.566 856 H GLY 110 H GLY 110 -10.740 6.096 -3.056 857 1HA GLY 110 1HA GLY 110 -11.705 8.024 -4.117 858 2HA GLY 110 2HA GLY 110 -13.187 7.799 -3.182 859 HA PRO 111 HA PRO 111 -9.866 10.641 -1.436 860 1HB PRO 111 1HB PRO 111 -10.893 13.161 -1.836 861 2HB PRO 111 2HB PRO 111 -10.074 12.192 -3.093 862 1HG PRO 111 1HG PRO 111 -13.057 12.410 -2.577 863 2HG PRO 111 2HG PRO 111 -12.183 12.645 -4.131 864 1HD PRO 111 1HD PRO 111 -13.322 10.267 -3.533 865 2HD PRO 111 2HD PRO 111 -11.718 10.332 -4.319 866 H SER 112 H SER 112 -12.996 10.055 -0.109 867 HA SER 112 HA SER 112 -11.924 11.220 2.366 868 1HB SER 112 1HB SER 112 -13.909 12.627 1.212 869 2HB SER 112 2HB SER 112 -14.899 11.410 2.036 870 HG SER 112 HG SER 112 -14.629 12.796 3.613 871 H SER 113 H SER 113 -12.760 10.195 4.289 872 HA SER 113 HA SER 113 -13.603 7.367 3.929 873 1HB SER 113 1HB SER 113 -11.133 7.743 3.780 874 2HB SER 113 2HB SER 113 -11.170 8.501 5.383 875 HG SER 113 HG SER 113 -11.611 5.816 4.601 876 H GLY 114 H GLY 114 -13.817 6.384 6.233 877 1HA GLY 114 1HA GLY 114 -14.983 6.358 8.222 878 2HA GLY 114 2HA GLY 114 -14.661 8.095 8.416
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