NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21221 | 2hc5 | 7170 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA LEU 1 HA LEU 1 1.149 2.459 0.845 2 1HB LEU 1 1HB LEU 1 1.348 2.072 -2.144 3 2HB LEU 1 2HB LEU 1 2.577 1.549 -1.012 4 HG LEU 1 HG LEU 1 -0.270 0.542 -1.053 5 1HD1 LEU 1 1HD1 LEU 1 0.712 -1.536 -1.914 6 2HD1 LEU 1 2HD1 LEU 1 2.279 -0.736 -2.034 7 3HD1 LEU 1 3HD1 LEU 1 0.928 -0.188 -3.029 8 1HD2 LEU 1 1HD2 LEU 1 2.147 -0.320 0.532 9 2HD2 LEU 1 2HD2 LEU 1 0.606 -1.177 0.482 10 3HD2 LEU 1 3HD2 LEU 1 0.691 0.447 1.165 11 H ASN 2 H ASN 2 3.636 2.858 -0.056 12 HA ASN 2 HA ASN 2 3.808 5.759 -0.533 13 1HB ASN 2 1HB ASN 2 4.484 5.091 1.767 14 2HB ASN 2 2HB ASN 2 5.726 4.053 1.073 15 1HD2 ASN 2 2HD2 ASN 2 4.731 7.294 1.722 16 2HD2 ASN 2 1HD2 ASN 2 6.236 8.064 1.335 17 H ILE 3 H ILE 3 4.808 6.306 -2.356 18 HA ILE 3 HA ILE 3 6.203 4.200 -3.846 19 HB ILE 3 HB ILE 3 4.362 5.505 -4.937 20 1HG1 ILE 3 1HG1 ILE 3 7.066 5.860 -6.244 21 2HG1 ILE 3 2HG1 ILE 3 6.147 4.360 -6.237 22 1HG2 ILE 3 1HG2 ILE 3 6.330 7.779 -4.752 23 2HG2 ILE 3 2HG2 ILE 3 4.762 7.673 -3.950 24 3HG2 ILE 3 3HG2 ILE 3 4.849 7.790 -5.707 25 1HD1 ILE 3 1HD1 ILE 3 5.902 5.533 -8.341 26 2HD1 ILE 3 2HD1 ILE 3 5.292 6.955 -7.495 27 3HD1 ILE 3 3HD1 ILE 3 4.361 5.456 -7.488 28 H GLU 4 H GLU 4 6.912 6.802 -1.852 29 HA GLU 4 HA GLU 4 9.156 7.924 -3.190 30 1HB GLU 4 1HB GLU 4 8.602 7.954 -0.220 31 2HB GLU 4 2HB GLU 4 9.570 9.101 -1.137 32 1HG GLU 4 1HG GLU 4 7.639 9.973 -2.225 33 2HG GLU 4 2HG GLU 4 6.618 8.703 -1.550 34 H ARG 5 H ARG 5 8.745 4.941 -1.746 35 HA ARG 5 HA ARG 5 11.643 4.670 -1.310 36 1HB ARG 5 1HB ARG 5 9.398 3.318 0.206 37 2HB ARG 5 2HB ARG 5 11.100 2.900 0.371 38 1HG ARG 5 1HG ARG 5 11.578 5.165 1.163 39 2HG ARG 5 2HG ARG 5 9.871 5.579 1.001 40 1HD ARG 5 1HD ARG 5 11.001 3.442 2.808 41 2HD ARG 5 2HD ARG 5 10.488 5.048 3.320 42 HE ARG 5 HE ARG 5 8.710 2.921 2.323 43 1HH1 ARG 5 1HH1 ARG 5 9.202 5.939 4.035 44 2HH1 ARG 5 2HH1 ARG 5 7.593 5.973 4.688 45 1HH2 ARG 5 1HH2 ARG 5 6.589 2.963 3.188 46 2HH2 ARG 5 2HH2 ARG 5 6.124 4.279 4.236 47 H LEU 6 H LEU 6 9.510 4.121 -3.511 48 HA LEU 6 HA LEU 6 9.829 1.281 -3.956 49 1HB LEU 6 1HB LEU 6 7.740 2.379 -4.570 50 2HB LEU 6 2HB LEU 6 8.602 3.457 -5.649 51 HG LEU 6 HG LEU 6 9.239 1.505 -7.037 52 1HD1 LEU 6 1HD1 LEU 6 8.056 -0.620 -6.696 53 2HD1 LEU 6 2HD1 LEU 6 7.379 0.008 -5.193 54 3HD1 LEU 6 3HD1 LEU 6 9.120 -0.234 -5.344 55 1HD2 LEU 6 1HD2 LEU 6 6.274 1.821 -6.603 56 2HD2 LEU 6 2HD2 LEU 6 7.059 1.214 -8.061 57 3HD2 LEU 6 3HD2 LEU 6 7.287 2.892 -7.571 58 H THR 7 H THR 7 11.430 0.357 -5.112 59 HA THR 7 HA THR 7 13.159 2.150 -6.709 60 HB THR 7 HB THR 7 15.081 0.828 -6.075 61 HG1 THR 7 HG1 THR 7 14.886 -1.067 -5.112 62 1HG2 THR 7 1HG2 THR 7 13.447 1.638 -3.668 63 2HG2 THR 7 2HG2 THR 7 14.532 2.675 -4.596 64 3HG2 THR 7 3HG2 THR 7 15.182 1.329 -3.658 65 H THR 8 H THR 8 11.301 -0.771 -6.699 66 HA THR 8 HA THR 8 12.835 -1.825 -8.986 67 HB THR 8 HB THR 8 12.956 -3.187 -6.887 68 HG1 THR 8 HG1 THR 8 13.038 -4.955 -8.083 69 1HG2 THR 8 1HG2 THR 8 10.026 -3.643 -7.446 70 2HG2 THR 8 2HG2 THR 8 10.705 -2.820 -6.040 71 3HG2 THR 8 3HG2 THR 8 10.994 -4.543 -6.280 72 H LEU 9 H LEU 9 11.675 -3.074 -10.563 73 HA LEU 9 HA LEU 9 8.790 -2.462 -10.734 74 1HB LEU 9 1HB LEU 9 10.718 -2.846 -13.026 75 2HB LEU 9 2HB LEU 9 9.007 -2.498 -13.163 76 HG LEU 9 HG LEU 9 9.731 -0.349 -11.759 77 1HD1 LEU 9 1HD1 LEU 9 12.068 -0.965 -11.568 78 2HD1 LEU 9 2HD1 LEU 9 11.897 0.473 -12.575 79 3HD1 LEU 9 3HD1 LEU 9 12.199 -1.095 -13.322 80 1HD2 LEU 9 1HD2 LEU 9 8.568 -0.391 -13.909 81 2HD2 LEU 9 2HD2 LEU 9 10.106 -0.652 -14.731 82 3HD2 LEU 9 3HD2 LEU 9 9.815 0.855 -13.863 83 H GLN 10 H GLN 10 10.449 -4.786 -9.665 84 HA GLN 10 HA GLN 10 10.396 -6.997 -11.293 85 1HB GLN 10 1HB GLN 10 11.455 -7.032 -9.112 86 2HB GLN 10 2HB GLN 10 9.895 -6.910 -8.316 87 1HG GLN 10 1HG GLN 10 10.639 -9.168 -8.190 88 2HG GLN 10 2HG GLN 10 9.271 -9.092 -9.298 89 1HE2 GLN 10 2HE2 GLN 10 9.622 -9.406 -11.505 90 2HE2 GLN 10 1HE2 GLN 10 11.076 -10.130 -12.115 91 HA PRO 11 HA PRO 11 5.818 -8.049 -9.874 92 1HB PRO 11 1HB PRO 11 4.816 -5.311 -9.328 93 2HB PRO 11 2HB PRO 11 4.468 -6.826 -8.488 94 1HG PRO 11 1HG PRO 11 6.049 -5.002 -7.375 95 2HG PRO 11 2HG PRO 11 6.421 -6.731 -7.232 96 1HD PRO 11 1HD PRO 11 7.631 -4.677 -9.046 97 2HD PRO 11 2HD PRO 11 8.424 -5.969 -8.123 98 H VAL 12 H VAL 12 6.768 -5.128 -11.557 99 HA VAL 12 HA VAL 12 4.520 -5.080 -13.340 100 HB VAL 12 HB VAL 12 7.232 -3.779 -13.687 101 1HG1 VAL 12 1HG1 VAL 12 4.587 -3.192 -15.011 102 2HG1 VAL 12 2HG1 VAL 12 5.994 -3.933 -15.775 103 3HG1 VAL 12 3HG1 VAL 12 6.070 -2.261 -15.218 104 1HG2 VAL 12 1HG2 VAL 12 4.701 -2.687 -12.471 105 2HG2 VAL 12 2HG2 VAL 12 6.147 -1.744 -12.828 106 3HG2 VAL 12 3HG2 VAL 12 6.211 -3.034 -11.627 107 H TRP 13 H TRP 13 7.933 -6.049 -13.609 108 HA TRP 13 HA TRP 13 7.774 -7.079 -16.221 109 1HB TRP 13 1HB TRP 13 9.618 -7.879 -13.960 110 2HB TRP 13 2HB TRP 13 9.841 -8.325 -15.646 111 HD1 TRP 13 HD1 TRP 13 11.648 -6.349 -13.585 112 HE1 TRP 13 HE1 TRP 13 12.452 -4.125 -14.593 113 HE3 TRP 13 HE3 TRP 13 8.367 -5.993 -17.495 114 HZ2 TRP 13 HZ2 TRP 13 11.786 -2.441 -16.766 115 HZ3 TRP 13 HZ3 TRP 13 8.515 -4.040 -18.981 116 HH2 TRP 13 HH2 TRP 13 10.188 -2.300 -18.621 117 H ASP 14 H ASP 14 7.238 -8.526 -13.065 118 HA ASP 14 HA ASP 14 6.775 -11.169 -13.704 119 1HB ASP 14 1HB ASP 14 6.721 -10.393 -11.413 120 2HB ASP 14 2HB ASP 14 5.328 -9.372 -11.743 121 H ARG 15 H ARG 15 4.384 -8.538 -13.686 122 HA ARG 15 HA ARG 15 2.302 -10.089 -14.825 123 1HB ARG 15 1HB ARG 15 1.711 -8.162 -13.547 124 2HB ARG 15 2HB ARG 15 2.708 -7.115 -14.550 125 1HG ARG 15 1HG ARG 15 1.211 -7.503 -16.442 126 2HG ARG 15 2HG ARG 15 0.207 -8.536 -15.426 127 1HD ARG 15 1HD ARG 15 -0.451 -6.728 -14.064 128 2HD ARG 15 2HD ARG 15 0.804 -5.678 -14.725 129 HE ARG 15 HE ARG 15 -0.713 -6.327 -16.893 130 1HH1 ARG 15 1HH1 ARG 15 -1.394 -4.928 -13.759 131 2HH1 ARG 15 2HH1 ARG 15 -2.702 -3.941 -14.347 132 1HH2 ARG 15 1HH2 ARG 15 -2.447 -5.026 -17.665 133 2HH2 ARG 15 2HH2 ARG 15 -3.292 -3.992 -16.544 134 H TYR 16 H TYR 16 4.526 -7.690 -16.204 135 HA TYR 16 HA TYR 16 3.379 -7.504 -18.731 136 1HB TYR 16 1HB TYR 16 5.082 -5.949 -17.799 137 2HB TYR 16 2HB TYR 16 6.306 -7.188 -18.047 138 HD1 TYR 16 HD1 TYR 16 7.507 -7.204 -20.031 139 HD2 TYR 16 HD2 TYR 16 3.731 -5.246 -19.925 140 HE1 TYR 16 HE1 TYR 16 7.877 -6.379 -22.317 141 HE2 TYR 16 HE2 TYR 16 4.091 -4.415 -22.212 142 HH TYR 16 HH TYR 16 5.920 -3.974 -23.746 143 H ASP 17 H ASP 17 6.022 -9.644 -17.637 144 HA ASP 17 HA ASP 17 6.245 -10.820 -20.238 145 1HB ASP 17 1HB ASP 17 7.504 -11.424 -17.587 146 2HB ASP 17 2HB ASP 17 7.646 -12.570 -18.919 147 H THR 18 H THR 18 4.290 -11.472 -17.444 148 HA THR 18 HA THR 18 3.508 -14.093 -18.269 149 HB THR 18 HB THR 18 1.965 -12.087 -16.595 150 HG1 THR 18 HG1 THR 18 3.984 -12.739 -15.667 151 1HG2 THR 18 1HG2 THR 18 1.585 -15.068 -16.908 152 2HG2 THR 18 2HG2 THR 18 0.508 -13.816 -17.526 153 3HG2 THR 18 3HG2 THR 18 0.706 -14.027 -15.787 154 H GLN 19 H GLN 19 2.382 -10.826 -18.904 155 HA GLN 19 HA GLN 19 0.052 -11.565 -20.348 156 1HB GLN 19 1HB GLN 19 1.317 -9.173 -19.441 157 2HB GLN 19 2HB GLN 19 0.894 -8.997 -21.138 158 1HG GLN 19 1HG GLN 19 -0.991 -9.776 -18.918 159 2HG GLN 19 2HG GLN 19 -0.871 -8.181 -19.658 160 1HE2 GLN 19 2HE2 GLN 19 -1.618 -7.874 -21.759 161 2HE2 GLN 19 1HE2 GLN 19 -2.699 -9.004 -22.512 162 H ILE 20 H ILE 20 3.029 -10.033 -21.451 163 HA ILE 20 HA ILE 20 2.519 -10.072 -24.171 164 HB ILE 20 HB ILE 20 5.087 -10.183 -22.631 165 1HG1 ILE 20 1HG1 ILE 20 3.784 -8.189 -22.258 166 2HG1 ILE 20 2HG1 ILE 20 5.191 -7.785 -23.234 167 1HG2 ILE 20 1HG2 ILE 20 5.543 -11.059 -24.858 168 2HG2 ILE 20 2HG2 ILE 20 6.244 -9.453 -24.672 169 3HG2 ILE 20 3HG2 ILE 20 4.750 -9.661 -25.585 170 1HD1 ILE 20 1HD1 ILE 20 3.213 -6.631 -24.029 171 2HD1 ILE 20 2HD1 ILE 20 2.388 -8.173 -24.259 172 3HD1 ILE 20 3HD1 ILE 20 3.799 -7.773 -25.238 173 H HIS 21 H HIS 21 3.753 -12.640 -22.122 174 HA HIS 21 HA HIS 21 4.535 -14.239 -24.424 175 1HB HIS 21 1HB HIS 21 4.736 -14.827 -21.463 176 2HB HIS 21 2HB HIS 21 5.366 -15.859 -22.742 177 HD1 HIS 21 HD1 HIS 21 7.832 -15.653 -22.538 178 HD2 HIS 21 HD2 HIS 21 5.924 -11.962 -22.267 179 HE1 HIS 21 HE1 HIS 21 9.677 -13.944 -22.412 180 H ASN 22 H ASN 22 2.019 -14.119 -21.979 181 HA ASN 22 HA ASN 22 0.695 -16.352 -23.375 182 1HB ASN 22 1HB ASN 22 1.202 -16.780 -20.952 183 2HB ASN 22 2HB ASN 22 0.145 -15.432 -20.541 184 1HD2 ASN 22 2HD2 ASN 22 -1.310 -16.733 -19.405 185 2HD2 ASN 22 1HD2 ASN 22 -2.358 -17.853 -20.204 186 H GLN 23 H GLN 23 0.175 -14.577 -24.884 187 HA GLN 23 HA GLN 23 -1.536 -12.458 -24.088 188 1HB GLN 23 1HB GLN 23 -0.730 -13.566 -26.766 189 2HB GLN 23 2HB GLN 23 -1.877 -12.242 -26.616 190 1HG GLN 23 1HG GLN 23 -0.225 -10.872 -25.530 191 2HG GLN 23 2HG GLN 23 0.920 -12.210 -25.515 192 1HE2 GLN 23 2HE2 GLN 23 1.981 -12.772 -27.369 193 2HE2 GLN 23 1HE2 GLN 23 1.984 -11.788 -28.794 194 H LYS 24 H LYS 24 -3.713 -12.166 -24.443 195 HA LYS 24 HA LYS 24 -5.217 -14.700 -24.617 196 1HB LYS 24 1HB LYS 24 -5.853 -12.293 -22.900 197 2HB LYS 24 2HB LYS 24 -6.697 -13.837 -22.899 198 1HG LYS 24 1HG LYS 24 -4.788 -14.950 -21.967 199 2HG LYS 24 2HG LYS 24 -3.804 -13.494 -22.126 200 1HD LYS 24 1HD LYS 24 -5.343 -12.342 -20.563 201 2HD LYS 24 2HD LYS 24 -6.209 -13.864 -20.343 202 1HE LYS 24 1HE LYS 24 -4.620 -13.478 -18.530 203 2HE LYS 24 2HE LYS 24 -4.182 -14.900 -19.472 204 1HZ LYS 24 1HZ LYS 24 -2.303 -13.399 -18.882 205 2HZ LYS 24 2HZ LYS 24 -2.969 -12.225 -19.906 206 3HZ LYS 24 3HZ LYS 24 -2.454 -13.707 -20.541 207 H ASP 25 H ASP 25 -7.667 -14.130 -24.829 208 HA ASP 25 HA ASP 25 -8.053 -11.910 -26.724 209 1HB ASP 25 1HB ASP 25 -7.971 -14.043 -27.992 210 2HB ASP 25 2HB ASP 25 -9.266 -14.680 -26.986 211 H ASN 26 H ASN 26 -8.851 -10.696 -25.005 212 HA ASN 26 HA ASN 26 -11.556 -11.165 -24.194 213 1HB ASN 26 1HB ASN 26 -10.466 -12.745 -22.690 214 2HB ASN 26 2HB ASN 26 -9.314 -11.516 -22.184 215 1HD2 ASN 26 2HD2 ASN 26 -9.950 -9.934 -20.742 216 2HD2 ASN 26 1HD2 ASN 26 -11.416 -10.048 -19.827 217 H ASP 27 H ASP 27 -12.484 -9.286 -23.405 218 HA ASP 27 HA ASP 27 -10.685 -6.967 -23.232 219 1HB ASP 27 1HB ASP 27 -12.474 -6.902 -24.998 220 2HB ASP 27 2HB ASP 27 -13.671 -6.920 -23.706 221 H ASN 28 H ASN 28 -10.367 -6.120 -21.322 222 HA ASN 28 HA ASN 28 -12.427 -6.423 -19.238 223 1HB ASN 28 1HB ASN 28 -10.574 -6.521 -17.573 224 2HB ASN 28 2HB ASN 28 -10.548 -7.880 -18.692 225 1HD2 ASN 28 2HD2 ASN 28 -8.908 -5.062 -17.572 226 2HD2 ASN 28 1HD2 ASN 28 -7.455 -5.297 -18.476 227 H GLU 29 H GLU 29 -12.192 -4.333 -21.120 228 HA GLU 29 HA GLU 29 -12.073 -2.099 -21.370 229 1HB GLU 29 1HB GLU 29 -12.026 -2.136 -18.353 230 2HB GLU 29 2HB GLU 29 -12.121 -0.662 -19.309 231 1HG GLU 29 1HG GLU 29 -14.203 -1.610 -20.359 232 2HG GLU 29 2HG GLU 29 -14.135 -2.889 -19.146 233 H VAL 30 H VAL 30 -9.795 -3.560 -21.659 234 HA VAL 30 HA VAL 30 -7.564 -2.170 -20.504 235 HB VAL 30 HB VAL 30 -7.303 -4.503 -21.146 236 1HG1 VAL 30 1HG1 VAL 30 -7.328 -5.216 -23.491 237 2HG1 VAL 30 2HG1 VAL 30 -7.857 -3.601 -23.966 238 3HG1 VAL 30 3HG1 VAL 30 -8.899 -4.611 -22.965 239 1HG2 VAL 30 1HG2 VAL 30 -5.278 -4.371 -22.520 240 2HG2 VAL 30 2HG2 VAL 30 -5.303 -3.159 -21.238 241 3HG2 VAL 30 3HG2 VAL 30 -5.664 -2.691 -22.900 242 HA PRO 31 HA PRO 31 -7.597 1.378 -23.172 243 1HB PRO 31 1HB PRO 31 -4.640 1.181 -22.963 244 2HB PRO 31 2HB PRO 31 -5.705 2.549 -22.627 245 1HG PRO 31 1HG PRO 31 -4.599 1.163 -20.641 246 2HG PRO 31 2HG PRO 31 -6.262 1.769 -20.518 247 1HD PRO 31 1HD PRO 31 -5.287 -1.004 -21.064 248 2HD PRO 31 2HD PRO 31 -6.686 -0.466 -20.112 249 H VAL 32 H VAL 32 -8.236 0.633 -25.157 250 HA VAL 32 HA VAL 32 -6.152 -0.416 -26.933 251 HB VAL 32 HB VAL 32 -9.153 -0.629 -27.251 252 1HG1 VAL 32 1HG1 VAL 32 -8.006 -0.519 -29.391 253 2HG1 VAL 32 2HG1 VAL 32 -8.630 -2.144 -29.109 254 3HG1 VAL 32 3HG1 VAL 32 -6.912 -1.810 -28.889 255 1HG2 VAL 32 1HG2 VAL 32 -7.132 -2.753 -26.533 256 2HG2 VAL 32 2HG2 VAL 32 -8.851 -3.017 -26.822 257 3HG2 VAL 32 3HG2 VAL 32 -8.329 -2.051 -25.442 258 H HIS 33 H HIS 33 -5.336 1.079 -28.172 259 HA HIS 33 HA HIS 33 -7.080 2.997 -29.500 260 1HB HIS 33 1HB HIS 33 -5.797 3.746 -27.193 261 2HB HIS 33 2HB HIS 33 -4.631 4.227 -28.423 262 HD1 HIS 33 HD1 HIS 33 -4.934 6.599 -29.034 263 HD2 HIS 33 HD2 HIS 33 -8.538 4.738 -28.102 264 HE1 HIS 33 HE1 HIS 33 -6.700 8.370 -29.309 265 H GLN 34 H GLN 34 -6.106 3.941 -31.376 266 HA GLN 34 HA GLN 34 -4.013 2.344 -32.545 267 1HB GLN 34 1HB GLN 34 -5.436 4.829 -33.525 268 2HB GLN 34 2HB GLN 34 -4.228 3.954 -34.460 269 1HG GLN 34 1HG GLN 34 -5.666 1.940 -34.333 270 2HG GLN 34 2HG GLN 34 -6.891 2.917 -33.525 271 1HE2 GLN 34 2HE2 GLN 34 -8.043 4.421 -34.684 272 2HE2 GLN 34 1HE2 GLN 34 -8.032 4.482 -36.413 273 H VAL 35 H VAL 35 -1.981 2.622 -32.011 274 HA VAL 35 HA VAL 35 -1.153 4.922 -30.542 275 HB VAL 35 HB VAL 35 0.581 2.673 -31.571 276 1HG1 VAL 35 1HG1 VAL 35 1.845 4.625 -30.862 277 2HG1 VAL 35 2HG1 VAL 35 2.059 3.302 -29.714 278 3HG1 VAL 35 3HG1 VAL 35 0.981 4.642 -29.324 279 1HG2 VAL 35 1HG2 VAL 35 0.271 1.651 -29.366 280 2HG2 VAL 35 2HG2 VAL 35 -1.256 1.786 -30.237 281 3HG2 VAL 35 3HG2 VAL 35 -0.877 2.923 -28.943 282 H SER 36 H SER 36 -1.305 6.652 -31.876 283 HA SER 36 HA SER 36 0.357 6.766 -34.257 284 1HB SER 36 1HB SER 36 -1.899 7.808 -34.253 285 2HB SER 36 2HB SER 36 -1.372 8.904 -32.974 286 HG SER 36 HG SER 36 -1.166 9.917 -34.987 287 H TYR 37 H TYR 37 1.783 8.813 -34.419 288 HA TYR 37 HA TYR 37 3.838 8.558 -32.554 289 1HB TYR 37 1HB TYR 37 3.936 9.515 -34.927 290 2HB TYR 37 2HB TYR 37 3.397 11.035 -34.223 291 HD1 TYR 37 HD1 TYR 37 4.953 12.510 -33.261 292 HD2 TYR 37 HD2 TYR 37 6.087 8.486 -34.031 293 HE1 TYR 37 HE1 TYR 37 7.284 13.065 -32.702 294 HE2 TYR 37 HE2 TYR 37 8.418 9.027 -33.475 295 HH TYR 37 HH TYR 37 9.900 10.893 -33.320 296 H THR 38 H THR 38 1.151 10.815 -32.691 297 HA THR 38 HA THR 38 1.979 12.540 -30.616 298 HB THR 38 HB THR 38 -0.909 11.945 -31.178 299 HG1 THR 38 HG1 THR 38 0.964 13.291 -32.858 300 1HG2 THR 38 1HG2 THR 38 -1.122 14.382 -30.877 301 2HG2 THR 38 2HG2 THR 38 0.614 14.485 -30.585 302 3HG2 THR 38 3HG2 THR 38 -0.418 13.600 -29.462 303 H ASN 39 H ASN 39 0.363 9.435 -30.635 304 HA ASN 39 HA ASN 39 -0.733 9.626 -28.009 305 1HB ASN 39 1HB ASN 39 -0.629 7.596 -30.132 306 2HB ASN 39 2HB ASN 39 -0.635 6.933 -28.502 307 1HD2 ASN 39 2HD2 ASN 39 -2.160 9.976 -29.229 308 2HD2 ASN 39 1HD2 ASN 39 -3.792 9.429 -29.046 309 H LEU 40 H LEU 40 2.310 8.474 -29.319 310 HA LEU 40 HA LEU 40 3.248 7.040 -27.117 311 1HB LEU 40 1HB LEU 40 4.657 8.672 -29.203 312 2HB LEU 40 2HB LEU 40 5.557 7.985 -27.869 313 HG LEU 40 HG LEU 40 5.820 6.502 -29.678 314 1HD1 LEU 40 1HD1 LEU 40 3.678 5.388 -27.880 315 2HD1 LEU 40 2HD1 LEU 40 5.414 5.384 -27.571 316 3HD1 LEU 40 3HD1 LEU 40 4.754 4.440 -28.908 317 1HD2 LEU 40 1HD2 LEU 40 3.961 5.546 -30.939 318 2HD2 LEU 40 2HD2 LEU 40 4.020 7.302 -31.093 319 3HD2 LEU 40 3HD2 LEU 40 2.830 6.549 -30.030 320 H ALA 41 H ALA 41 3.692 10.483 -27.855 321 HA ALA 41 HA ALA 41 5.114 11.152 -25.551 322 1HB ALA 41 1HB ALA 41 3.296 12.937 -27.164 323 2HB ALA 41 2HB ALA 41 4.982 12.577 -27.546 324 3HB ALA 41 3HB ALA 41 4.579 13.459 -26.073 325 H GLU 42 H GLU 42 1.643 11.005 -26.140 326 HA GLU 42 HA GLU 42 0.731 12.340 -23.873 327 1HB GLU 42 1HB GLU 42 -0.481 10.067 -25.444 328 2HB GLU 42 2HB GLU 42 -1.328 10.890 -24.140 329 1HG GLU 42 1HG GLU 42 -0.306 12.159 -26.669 330 2HG GLU 42 2HG GLU 42 -1.986 11.774 -26.299 331 H MET 43 H MET 43 1.168 8.812 -24.272 332 HA MET 43 HA MET 43 0.617 8.339 -21.509 333 1HB MET 43 1HB MET 43 1.381 6.655 -23.830 334 2HB MET 43 2HB MET 43 1.742 6.018 -22.233 335 1HG MET 43 1HG MET 43 -0.364 5.166 -22.823 336 2HG MET 43 2HG MET 43 -0.659 6.431 -21.635 337 1HE MET 43 1HE MET 43 -1.159 5.186 -25.256 338 2HE MET 43 2HE MET 43 0.034 6.452 -25.548 339 3HE MET 43 3HE MET 43 -1.619 6.643 -26.136 340 H VAL 44 H VAL 44 3.560 8.715 -23.410 341 HA VAL 44 HA VAL 44 5.358 7.789 -21.436 342 HB VAL 44 HB VAL 44 5.756 9.707 -23.742 343 1HG1 VAL 44 1HG1 VAL 44 8.163 9.476 -23.394 344 2HG1 VAL 44 2HG1 VAL 44 7.870 8.536 -21.932 345 3HG1 VAL 44 3HG1 VAL 44 7.393 10.232 -21.997 346 1HG2 VAL 44 1HG2 VAL 44 6.973 7.804 -24.718 347 2HG2 VAL 44 2HG2 VAL 44 5.291 7.405 -24.369 348 3HG2 VAL 44 3HG2 VAL 44 6.572 6.834 -23.299 349 H GLY 45 H GLY 45 3.915 10.945 -22.044 350 1HA GLY 45 1HA GLY 45 5.503 12.502 -20.348 351 2HA GLY 45 2HA GLY 45 3.843 12.862 -20.794 352 H GLU 46 H GLU 46 2.360 10.965 -19.618 353 HA GLU 46 HA GLU 46 2.435 11.771 -16.887 354 1HB GLU 46 1HB GLU 46 0.494 10.248 -16.618 355 2HB GLU 46 2HB GLU 46 0.306 11.381 -17.947 356 1HG GLU 46 1HG GLU 46 0.954 9.604 -19.519 357 2HG GLU 46 2HG GLU 46 1.052 8.475 -18.167 358 H MET 47 H MET 47 3.562 8.992 -18.635 359 HA MET 47 HA MET 47 3.840 7.178 -16.512 360 1HB MET 47 1HB MET 47 4.035 6.762 -19.029 361 2HB MET 47 2HB MET 47 5.683 7.348 -18.890 362 1HG MET 47 1HG MET 47 6.050 5.121 -18.707 363 2HG MET 47 2HG MET 47 5.822 5.522 -17.007 364 1HE MET 47 1HE MET 47 2.663 5.797 -16.615 365 2HE MET 47 2HE MET 47 3.775 4.892 -15.587 366 3HE MET 47 3HE MET 47 2.309 4.122 -16.192 367 H ASN 48 H ASN 48 6.035 9.644 -17.797 368 HA ASN 48 HA ASN 48 8.249 8.929 -16.174 369 1HB ASN 48 1HB ASN 48 7.557 11.353 -17.795 370 2HB ASN 48 2HB ASN 48 8.936 11.396 -16.701 371 1HD2 ASN 48 2HD2 ASN 48 7.636 10.061 -19.630 372 2HD2 ASN 48 1HD2 ASN 48 9.121 9.377 -20.198 373 H LYS 49 H LYS 49 5.684 11.353 -15.785 374 HA LYS 49 HA LYS 49 6.890 12.511 -13.472 375 1HB LYS 49 1HB LYS 49 4.828 13.826 -13.282 376 2HB LYS 49 2HB LYS 49 5.470 13.851 -14.916 377 1HG LYS 49 1HG LYS 49 3.294 13.523 -15.418 378 2HG LYS 49 2HG LYS 49 3.752 11.834 -15.194 379 1HD LYS 49 1HD LYS 49 1.684 12.278 -14.021 380 2HD LYS 49 2HD LYS 49 2.969 11.971 -12.854 381 1HE LYS 49 1HE LYS 49 3.244 14.398 -12.550 382 2HE LYS 49 2HE LYS 49 1.922 14.677 -13.679 383 1HZ LYS 49 1HZ LYS 49 1.242 14.797 -11.332 384 2HZ LYS 49 2HZ LYS 49 1.666 13.167 -11.131 385 3HZ LYS 49 3HZ LYS 49 0.408 13.595 -12.187 386 H LEU 50 H LEU 50 5.373 9.607 -13.845 387 HA LEU 50 HA LEU 50 4.187 9.570 -11.184 388 1HB LEU 50 1HB LEU 50 4.345 7.517 -13.385 389 2HB LEU 50 2HB LEU 50 3.702 7.151 -11.797 390 HG LEU 50 HG LEU 50 2.583 9.215 -13.697 391 1HD1 LEU 50 1HD1 LEU 50 0.718 7.662 -13.947 392 2HD1 LEU 50 2HD1 LEU 50 1.542 6.492 -12.916 393 3HD1 LEU 50 3HD1 LEU 50 2.231 6.927 -14.481 394 1HD2 LEU 50 1HD2 LEU 50 1.546 8.213 -11.045 395 2HD2 LEU 50 2HD2 LEU 50 0.725 9.346 -12.120 396 3HD2 LEU 50 3HD2 LEU 50 2.242 9.805 -11.346 397 H LEU 51 H LEU 51 7.139 8.745 -12.755 398 HA LEU 51 HA LEU 51 7.893 6.918 -10.583 399 1HB LEU 51 1HB LEU 51 8.970 7.316 -13.363 400 2HB LEU 51 2HB LEU 51 9.817 6.366 -12.155 401 HG LEU 51 HG LEU 51 7.000 5.774 -13.089 402 1HD1 LEU 51 1HD1 LEU 51 8.011 3.934 -14.349 403 2HD1 LEU 51 2HD1 LEU 51 9.618 4.512 -13.910 404 3HD1 LEU 51 3HD1 LEU 51 8.573 5.500 -14.930 405 1HD2 LEU 51 1HD2 LEU 51 7.386 3.629 -11.989 406 2HD2 LEU 51 2HD2 LEU 51 7.528 4.965 -10.848 407 3HD2 LEU 51 3HD2 LEU 51 8.980 4.175 -11.466 408 H GLU 52 H GLU 52 8.547 10.032 -11.854 409 HA GLU 52 HA GLU 52 11.163 10.466 -11.069 410 1HB GLU 52 1HB GLU 52 8.831 12.331 -11.280 411 2HB GLU 52 2HB GLU 52 10.441 12.892 -10.847 412 1HG GLU 52 1HG GLU 52 9.782 11.366 -13.353 413 2HG GLU 52 2HG GLU 52 9.909 13.117 -13.244 414 HA PRO 53 HA PRO 53 9.720 11.794 -6.670 415 1HB PRO 53 1HB PRO 53 7.364 10.907 -5.723 416 2HB PRO 53 2HB PRO 53 7.501 12.400 -6.661 417 1HG PRO 53 1HG PRO 53 6.651 9.670 -7.562 418 2HG PRO 53 2HG PRO 53 5.917 11.244 -7.922 419 1HD PRO 53 1HD PRO 53 7.574 9.960 -9.645 420 2HD PRO 53 2HD PRO 53 7.458 11.728 -9.558 421 H SER 54 H SER 54 10.196 8.902 -7.998 422 HA SER 54 HA SER 54 10.378 7.559 -5.381 423 1HB SER 54 1HB SER 54 9.864 5.438 -6.406 424 2HB SER 54 2HB SER 54 8.610 6.579 -6.887 425 HG SER 54 HG SER 54 9.930 6.884 -8.848 426 H GLN 55 H GLN 55 11.888 5.422 -5.956 427 HA GLN 55 HA GLN 55 14.449 6.569 -6.699 428 1HB GLN 55 1HB GLN 55 13.549 4.018 -5.442 429 2HB GLN 55 2HB GLN 55 15.099 4.037 -6.263 430 1HG GLN 55 1HG GLN 55 15.397 4.430 -3.913 431 2HG GLN 55 2HG GLN 55 15.832 5.864 -4.834 432 1HE2 GLN 55 2HE2 GLN 55 13.562 4.455 -2.632 433 2HE2 GLN 55 1HE2 GLN 55 12.771 5.928 -2.178 434 H VAL 56 H VAL 56 11.906 4.932 -8.195 435 HA VAL 56 HA VAL 56 13.461 3.503 -10.138 436 HB VAL 56 HB VAL 56 10.530 4.243 -10.309 437 1HG1 VAL 56 1HG1 VAL 56 10.380 2.263 -11.748 438 2HG1 VAL 56 2HG1 VAL 56 12.125 2.042 -11.612 439 3HG1 VAL 56 3HG1 VAL 56 11.475 3.477 -12.406 440 1HG2 VAL 56 1HG2 VAL 56 10.927 3.091 -8.211 441 2HG2 VAL 56 2HG2 VAL 56 11.790 1.806 -9.057 442 3HG2 VAL 56 3HG2 VAL 56 10.064 2.042 -9.333 443 H HIS 57 H HIS 57 14.783 5.448 -10.693 444 HA HIS 57 HA HIS 57 13.399 7.459 -12.256 445 1HB HIS 57 1HB HIS 57 16.238 7.178 -11.336 446 2HB HIS 57 2HB HIS 57 15.816 8.326 -12.603 447 HD1 HIS 57 HD1 HIS 57 14.060 10.227 -11.901 448 HD2 HIS 57 HD2 HIS 57 15.688 8.004 -8.783 449 HE1 HIS 57 HE1 HIS 57 13.592 11.542 -9.816 450 H LEU 58 H LEU 58 12.620 5.965 -13.799 451 HA LEU 58 HA LEU 58 14.559 5.001 -15.743 452 1HB LEU 58 1HB LEU 58 11.538 4.902 -15.770 453 2HB LEU 58 2HB LEU 58 12.592 4.126 -16.935 454 HG LEU 58 HG LEU 58 12.376 3.447 -14.004 455 1HD1 LEU 58 1HD1 LEU 58 11.441 1.349 -14.809 456 2HD1 LEU 58 2HD1 LEU 58 11.560 1.924 -16.472 457 3HD1 LEU 58 3HD1 LEU 58 10.469 2.722 -15.339 458 1HD2 LEU 58 1HD2 LEU 58 14.663 3.156 -14.797 459 2HD2 LEU 58 2HD2 LEU 58 14.081 2.216 -16.170 460 3HD2 LEU 58 3HD2 LEU 58 13.894 1.590 -14.532 461 H LYS 59 H LYS 59 15.004 5.994 -17.624 462 HA LYS 59 HA LYS 59 13.500 8.448 -18.217 463 1HB LYS 59 1HB LYS 59 16.353 7.719 -18.918 464 2HB LYS 59 2HB LYS 59 15.542 9.201 -19.414 465 1HG LYS 59 1HG LYS 59 15.257 9.832 -17.070 466 2HG LYS 59 2HG LYS 59 16.070 8.349 -16.573 467 1HD LYS 59 1HD LYS 59 17.307 10.526 -18.252 468 2HD LYS 59 2HD LYS 59 17.537 10.339 -16.513 469 1HE LYS 59 1HE LYS 59 18.384 7.997 -17.044 470 2HE LYS 59 2HE LYS 59 18.444 8.518 -18.729 471 1HZ LYS 59 1HZ LYS 59 20.577 8.868 -17.817 472 2HZ LYS 59 2HZ LYS 59 19.959 9.625 -16.430 473 3HZ LYS 59 3HZ LYS 59 19.870 10.405 -17.937 474 H PHE 60 H PHE 60 12.034 8.028 -19.671 475 HA PHE 60 HA PHE 60 12.305 5.816 -21.491 476 1HB PHE 60 1HB PHE 60 10.096 7.859 -21.157 477 2HB PHE 60 2HB PHE 60 10.011 6.440 -22.195 478 HD1 PHE 60 HD1 PHE 60 9.784 7.693 -18.799 479 HD2 PHE 60 HD2 PHE 60 9.933 4.185 -21.205 480 HE1 PHE 60 HE1 PHE 60 8.922 6.372 -16.913 481 HE2 PHE 60 HE2 PHE 60 9.068 2.855 -19.321 482 HZ PHE 60 HZ PHE 60 8.561 3.953 -17.172 483 H GLU 61 H GLU 61 12.918 5.888 -23.531 484 HA GLU 61 HA GLU 61 13.225 8.526 -24.807 485 1HB GLU 61 1HB GLU 61 14.994 6.137 -24.679 486 2HB GLU 61 2HB GLU 61 14.976 7.050 -26.180 487 1HG GLU 61 1HG GLU 61 15.420 8.379 -23.532 488 2HG GLU 61 2HG GLU 61 16.740 7.644 -24.445 489 H LEU 62 H LEU 62 12.294 8.825 -26.726 490 HA LEU 62 HA LEU 62 10.922 6.555 -27.968 491 1HB LEU 62 1HB LEU 62 9.625 8.623 -27.476 492 2HB LEU 62 2HB LEU 62 10.683 9.514 -28.551 493 HG LEU 62 HG LEU 62 9.913 8.051 -30.434 494 1HD1 LEU 62 1HD1 LEU 62 7.883 7.121 -28.408 495 2HD1 LEU 62 2HD1 LEU 62 9.195 6.143 -29.072 496 3HD1 LEU 62 3HD1 LEU 62 7.906 6.724 -30.127 497 1HD2 LEU 62 1HD2 LEU 62 7.782 9.592 -28.949 498 2HD2 LEU 62 2HD2 LEU 62 7.722 9.132 -30.651 499 3HD2 LEU 62 3HD2 LEU 62 8.952 10.263 -30.085 500 H HIS 63 H HIS 63 11.943 5.569 -29.592 501 HA HIS 63 HA HIS 63 13.582 7.232 -31.359 502 1HB HIS 63 1HB HIS 63 14.428 4.700 -29.992 503 2HB HIS 63 2HB HIS 63 15.148 5.179 -31.529 504 HD1 HIS 63 HD1 HIS 63 16.420 7.521 -31.526 505 HD2 HIS 63 HD2 HIS 63 15.381 6.033 -27.786 506 HE1 HIS 63 HE1 HIS 63 17.811 8.810 -29.872 507 H ASP 64 H ASP 64 13.288 6.946 -33.405 508 HA ASP 64 HA ASP 64 11.263 4.997 -34.202 509 1HB ASP 64 1HB ASP 64 10.886 6.465 -36.117 510 2HB ASP 64 2HB ASP 64 10.798 7.378 -34.620 511 H LYS 65 H LYS 65 11.557 3.577 -35.851 512 HA LYS 65 HA LYS 65 14.089 3.541 -37.289 513 1HB LYS 65 1HB LYS 65 14.575 1.225 -36.697 514 2HB LYS 65 2HB LYS 65 14.521 2.225 -35.255 515 1HG LYS 65 1HG LYS 65 12.400 1.369 -34.635 516 2HG LYS 65 2HG LYS 65 12.194 0.569 -36.184 517 1HD LYS 65 1HD LYS 65 14.378 -0.118 -34.224 518 2HD LYS 65 2HD LYS 65 12.824 -0.955 -34.300 519 1HE LYS 65 1HE LYS 65 13.299 -1.457 -36.697 520 2HE LYS 65 2HE LYS 65 14.906 -0.770 -36.473 521 1HZ LYS 65 1HZ LYS 65 14.856 -3.202 -36.282 522 2HZ LYS 65 2HZ LYS 65 13.822 -3.074 -34.942 523 3HZ LYS 65 3HZ LYS 65 15.401 -2.456 -34.859 524 H LEU 66 H LEU 66 13.634 3.214 -39.336 525 HA LEU 66 HA LEU 66 12.803 2.339 -41.252 526 1HB LEU 66 1HB LEU 66 13.349 0.247 -39.720 527 2HB LEU 66 2HB LEU 66 11.618 0.027 -39.786 528 HG LEU 66 HG LEU 66 13.392 0.169 -42.228 529 1HD1 LEU 66 1HD1 LEU 66 13.906 -1.799 -40.877 530 2HD1 LEU 66 2HD1 LEU 66 13.082 -2.245 -42.372 531 3HD1 LEU 66 3HD1 LEU 66 12.197 -2.228 -40.847 532 1HD2 LEU 66 1HD2 LEU 66 11.104 0.839 -42.681 533 2HD2 LEU 66 2HD2 LEU 66 10.502 -0.611 -41.879 534 3HD2 LEU 66 3HD2 LEU 66 11.422 -0.751 -43.377 535 H ASN 67 H ASN 67 10.257 0.926 -39.224 536 HA ASN 67 HA ASN 67 8.309 2.728 -40.504 537 1HB ASN 67 1HB ASN 67 8.238 0.501 -41.572 538 2HB ASN 67 2HB ASN 67 7.986 -0.246 -40.000 539 1HD2 ASN 67 2HD2 ASN 67 5.954 -0.239 -39.089 540 2HD2 ASN 67 1HD2 ASN 67 4.552 0.335 -39.938 541 H GLU 68 H GLU 68 9.644 1.539 -37.673 542 HA GLU 68 HA GLU 68 7.148 1.936 -36.158 543 1HB GLU 68 1HB GLU 68 9.595 0.385 -35.289 544 2HB GLU 68 2HB GLU 68 8.066 0.501 -34.433 545 1HG GLU 68 1HG GLU 68 8.595 -0.884 -37.041 546 2HG GLU 68 2HG GLU 68 8.180 -1.623 -35.497 547 H TYR 69 H TYR 69 7.465 2.749 -33.957 548 HA TYR 69 HA TYR 69 9.927 4.157 -33.377 549 1HB TYR 69 1HB TYR 69 8.252 6.115 -32.575 550 2HB TYR 69 2HB TYR 69 9.038 6.113 -34.147 551 HD1 TYR 69 HD1 TYR 69 7.788 5.868 -36.152 552 HD2 TYR 69 HD2 TYR 69 5.851 5.457 -32.388 553 HE1 TYR 69 HE1 TYR 69 5.605 5.977 -37.272 554 HE2 TYR 69 HE2 TYR 69 3.660 5.564 -33.500 555 HH TYR 69 HH TYR 69 3.298 5.268 -36.865 556 H TYR 70 H TYR 70 10.421 3.182 -31.525 557 HA TYR 70 HA TYR 70 8.192 2.476 -29.740 558 1HB TYR 70 1HB TYR 70 9.462 0.552 -29.015 559 2HB TYR 70 2HB TYR 70 9.355 0.545 -30.769 560 HD1 TYR 70 HD1 TYR 70 11.569 0.793 -27.896 561 HD2 TYR 70 HD2 TYR 70 11.351 1.031 -32.136 562 HE1 TYR 70 HE1 TYR 70 14.010 0.581 -28.029 563 HE2 TYR 70 HE2 TYR 70 13.797 0.819 -32.281 564 HH TYR 70 HH TYR 70 15.709 -0.103 -29.578 565 H VAL 71 H VAL 71 8.841 2.198 -27.439 566 HA VAL 71 HA VAL 71 10.546 4.458 -26.656 567 HB VAL 71 HB VAL 71 8.411 3.076 -25.016 568 1HG1 VAL 71 1HG1 VAL 71 8.642 4.999 -23.514 569 2HG1 VAL 71 2HG1 VAL 71 9.947 5.628 -24.523 570 3HG1 VAL 71 3HG1 VAL 71 10.153 4.103 -23.660 571 1HG2 VAL 71 1HG2 VAL 71 7.067 5.098 -25.401 572 2HG2 VAL 71 2HG2 VAL 71 7.400 4.224 -26.896 573 3HG2 VAL 71 3HG2 VAL 71 8.300 5.692 -26.514 574 H LYS 72 H LYS 72 12.491 3.887 -26.006 575 HA LYS 72 HA LYS 72 12.870 1.266 -24.760 576 1HB LYS 72 1HB LYS 72 15.323 1.766 -25.016 577 2HB LYS 72 2HB LYS 72 14.435 1.618 -26.525 578 1HG LYS 72 1HG LYS 72 14.428 3.995 -26.824 579 2HG LYS 72 2HG LYS 72 15.118 4.241 -25.219 580 1HD LYS 72 1HD LYS 72 16.791 4.467 -27.017 581 2HD LYS 72 2HD LYS 72 17.176 3.164 -25.894 582 1HE LYS 72 1HE LYS 72 16.274 1.532 -27.474 583 2HE LYS 72 2HE LYS 72 15.868 2.832 -28.591 584 1HZ LYS 72 1HZ LYS 72 18.617 2.132 -27.696 585 2HZ LYS 72 2HZ LYS 72 18.215 3.356 -28.795 586 3HZ LYS 72 3HZ LYS 72 17.941 1.732 -29.199 587 H VAL 73 H VAL 73 13.390 1.028 -22.693 588 HA VAL 73 HA VAL 73 13.192 3.390 -20.996 589 HB VAL 73 HB VAL 73 13.307 0.466 -20.222 590 1HG1 VAL 73 1HG1 VAL 73 12.547 2.905 -18.624 591 2HG1 VAL 73 2HG1 VAL 73 14.005 1.933 -18.419 592 3HG1 VAL 73 3HG1 VAL 73 12.420 1.238 -18.067 593 1HG2 VAL 73 1HG2 VAL 73 10.921 2.291 -20.492 594 2HG2 VAL 73 2HG2 VAL 73 10.890 0.627 -19.907 595 3HG2 VAL 73 3HG2 VAL 73 11.335 0.966 -21.579 596 H ILE 74 H ILE 74 15.007 4.412 -20.479 597 HA ILE 74 HA ILE 74 17.500 2.881 -20.253 598 HB ILE 74 HB ILE 74 17.056 5.870 -20.393 599 1HG1 ILE 74 1HG1 ILE 74 18.176 3.935 -22.433 600 2HG1 ILE 74 2HG1 ILE 74 16.579 4.674 -22.497 601 1HG2 ILE 74 1HG2 ILE 74 19.625 4.287 -20.371 602 2HG2 ILE 74 2HG2 ILE 74 19.037 5.337 -19.083 603 3HG2 ILE 74 3HG2 ILE 74 19.494 6.025 -20.641 604 1HD1 ILE 74 1HD1 ILE 74 17.615 6.875 -22.703 605 2HD1 ILE 74 2HD1 ILE 74 18.120 5.786 -23.994 606 3HD1 ILE 74 3HD1 ILE 74 19.209 6.125 -22.647 607 H GLU 75 H GLU 75 18.196 2.339 -18.304 608 HA GLU 75 HA GLU 75 16.945 3.411 -15.930 609 1HB GLU 75 1HB GLU 75 17.564 1.007 -16.150 610 2HB GLU 75 2HB GLU 75 19.257 1.471 -16.192 611 1HG GLU 75 1HG GLU 75 18.885 2.527 -13.926 612 2HG GLU 75 2HG GLU 75 17.323 1.708 -13.907 613 H ASP 76 H ASP 76 17.644 5.165 -14.886 614 HA ASP 76 HA ASP 76 19.715 6.740 -15.918 615 1HB ASP 76 1HB ASP 76 17.833 7.701 -14.712 616 2HB ASP 76 2HB ASP 76 18.356 6.916 -13.224 617 H SER 77 H SER 77 19.730 4.407 -13.301 618 HA SER 77 HA SER 77 22.131 5.304 -12.098 619 1HB SER 77 1HB SER 77 21.988 2.806 -11.198 620 2HB SER 77 2HB SER 77 20.893 4.065 -10.622 621 HG SER 77 HG SER 77 20.404 1.922 -12.370 622 H THR 78 H THR 78 21.532 3.341 -14.884 623 HA THR 78 HA THR 78 24.368 2.546 -14.893 624 HB THR 78 HB THR 78 23.488 0.726 -16.537 625 HG1 THR 78 HG1 THR 78 21.153 0.789 -14.981 626 1HG2 THR 78 1HG2 THR 78 22.953 0.593 -13.569 627 2HG2 THR 78 2HG2 THR 78 24.494 0.267 -14.361 628 3HG2 THR 78 3HG2 THR 78 23.113 -0.793 -14.648 629 H ASN 79 H ASN 79 21.877 4.196 -16.586 630 HA ASN 79 HA ASN 79 21.966 5.623 -18.351 631 1HB ASN 79 1HB ASN 79 24.884 5.011 -18.096 632 2HB ASN 79 2HB ASN 79 24.308 5.838 -19.537 633 1HD2 ASN 79 2HD2 ASN 79 22.893 6.257 -16.351 634 2HD2 ASN 79 1HD2 ASN 79 23.405 7.895 -16.147 635 H GLU 80 H GLU 80 21.750 2.545 -18.544 636 HA GLU 80 HA GLU 80 22.063 2.467 -21.469 637 1HB GLU 80 1HB GLU 80 22.548 0.110 -21.371 638 2HB GLU 80 2HB GLU 80 23.672 0.975 -20.336 639 1HG GLU 80 1HG GLU 80 22.522 0.251 -18.368 640 2HG GLU 80 2HG GLU 80 21.210 -0.432 -19.332 641 H VAL 81 H VAL 81 20.602 1.021 -22.588 642 HA VAL 81 HA VAL 81 17.898 1.294 -21.655 643 HB VAL 81 HB VAL 81 18.911 -0.205 -24.081 644 1HG1 VAL 81 1HG1 VAL 81 16.649 0.153 -24.940 645 2HG1 VAL 81 2HG1 VAL 81 16.198 0.931 -23.423 646 3HG1 VAL 81 3HG1 VAL 81 16.633 -0.778 -23.442 647 1HG2 VAL 81 1HG2 VAL 81 19.671 2.114 -24.134 648 2HG2 VAL 81 2HG2 VAL 81 18.022 2.669 -23.842 649 3HG2 VAL 81 3HG2 VAL 81 18.418 1.836 -25.344 650 H ILE 82 H ILE 82 16.951 -0.109 -20.323 651 HA ILE 82 HA ILE 82 18.088 -2.806 -20.078 652 HB ILE 82 HB ILE 82 16.739 -2.926 -17.971 653 1HG1 ILE 82 1HG1 ILE 82 16.307 0.030 -18.475 654 2HG1 ILE 82 2HG1 ILE 82 15.061 -1.202 -18.615 655 1HG2 ILE 82 1HG2 ILE 82 18.243 -1.486 -16.684 656 2HG2 ILE 82 2HG2 ILE 82 18.716 -0.656 -18.168 657 3HG2 ILE 82 3HG2 ILE 82 19.108 -2.362 -17.948 658 1HD1 ILE 82 1HD1 ILE 82 14.913 0.020 -16.511 659 2HD1 ILE 82 2HD1 ILE 82 16.547 -0.502 -16.096 660 3HD1 ILE 82 3HD1 ILE 82 15.254 -1.690 -16.249 661 H ARG 83 H ARG 83 15.435 -1.208 -21.443 662 HA ARG 83 HA ARG 83 14.098 -3.696 -22.041 663 1HB ARG 83 1HB ARG 83 13.328 -2.832 -19.711 664 2HB ARG 83 2HB ARG 83 12.462 -1.609 -20.627 665 1HG ARG 83 1HG ARG 83 10.933 -3.345 -20.145 666 2HG ARG 83 2HG ARG 83 11.326 -3.471 -21.861 667 1HD ARG 83 1HD ARG 83 12.703 -5.339 -21.513 668 2HD ARG 83 2HD ARG 83 12.798 -5.054 -19.781 669 HE ARG 83 HE ARG 83 10.336 -5.633 -19.792 670 1HH1 ARG 83 1HH1 ARG 83 12.530 -6.926 -22.183 671 2HH1 ARG 83 2HH1 ARG 83 11.673 -8.432 -22.328 672 1HH2 ARG 83 1HH2 ARG 83 9.208 -7.613 -19.989 673 2HH2 ARG 83 2HH2 ARG 83 9.783 -8.817 -21.092 674 H GLU 84 H GLU 84 13.156 -3.527 -24.024 675 HA GLU 84 HA GLU 84 12.603 -0.807 -25.015 676 1HB GLU 84 1HB GLU 84 13.510 -3.206 -26.624 677 2HB GLU 84 2HB GLU 84 13.109 -1.627 -27.284 678 1HG GLU 84 1HG GLU 84 14.948 -0.638 -25.993 679 2HG GLU 84 2HG GLU 84 15.366 -2.242 -25.394 680 H ILE 85 H ILE 85 10.507 -0.435 -25.316 681 HA ILE 85 HA ILE 85 8.759 -2.763 -25.765 682 HB ILE 85 HB ILE 85 8.031 -0.136 -24.446 683 1HG1 ILE 85 1HG1 ILE 85 7.531 -1.822 -22.503 684 2HG1 ILE 85 2HG1 ILE 85 8.664 -2.864 -23.360 685 1HG2 ILE 85 1HG2 ILE 85 6.177 -1.044 -25.716 686 2HG2 ILE 85 2HG2 ILE 85 5.866 -1.198 -23.987 687 3HG2 ILE 85 3HG2 ILE 85 6.370 -2.607 -24.923 688 1HD1 ILE 85 1HD1 ILE 85 9.758 -1.626 -21.581 689 2HD1 ILE 85 2HD1 ILE 85 9.243 -0.103 -22.307 690 3HD1 ILE 85 3HD1 ILE 85 10.383 -1.143 -23.158 691 HA PRO 86 HA PRO 86 8.013 -0.725 -29.723 692 1HB PRO 86 1HB PRO 86 6.292 -2.659 -30.610 693 2HB PRO 86 2HB PRO 86 8.050 -2.786 -30.732 694 1HG PRO 86 1HG PRO 86 6.199 -3.975 -28.704 695 2HG PRO 86 2HG PRO 86 7.598 -4.710 -29.510 696 1HD PRO 86 1HD PRO 86 7.733 -3.760 -26.992 697 2HD PRO 86 2HD PRO 86 9.111 -3.665 -28.107 698 HA PRO 87 HA PRO 87 4.414 1.586 -28.760 699 1HB PRO 87 1HB PRO 87 3.301 1.872 -31.283 700 2HB PRO 87 2HB PRO 87 4.611 2.862 -30.634 701 1HG PRO 87 1HG PRO 87 4.745 0.500 -32.457 702 2HG PRO 87 2HG PRO 87 5.681 2.006 -32.500 703 1HD PRO 87 1HD PRO 87 6.743 -0.258 -31.544 704 2HD PRO 87 2HD PRO 87 7.107 1.314 -30.799 705 H LYS 88 H LYS 88 4.006 -1.279 -30.736 706 HA LYS 88 HA LYS 88 1.157 -1.377 -30.335 707 1HB LYS 88 1HB LYS 88 1.341 -3.542 -31.581 708 2HB LYS 88 2HB LYS 88 1.958 -2.141 -32.444 709 1HG LYS 88 1HG LYS 88 4.247 -2.783 -31.761 710 2HG LYS 88 2HG LYS 88 3.581 -4.243 -31.028 711 1HD LYS 88 1HD LYS 88 3.401 -3.468 -33.941 712 2HD LYS 88 2HD LYS 88 4.458 -4.706 -33.261 713 1HE LYS 88 1HE LYS 88 2.469 -5.947 -32.500 714 2HE LYS 88 2HE LYS 88 1.440 -4.725 -33.246 715 1HZ LYS 88 1HZ LYS 88 2.386 -5.292 -35.400 716 2HZ LYS 88 2HZ LYS 88 1.694 -6.658 -34.667 717 3HZ LYS 88 3HZ LYS 88 3.377 -6.468 -34.680 718 H ARG 89 H ARG 89 3.626 -2.035 -28.291 719 HA ARG 89 HA ARG 89 1.881 -3.890 -26.802 720 1HB ARG 89 1HB ARG 89 4.899 -3.807 -26.612 721 2HB ARG 89 2HB ARG 89 3.826 -4.884 -25.731 722 1HG ARG 89 1HG ARG 89 3.111 -5.777 -27.996 723 2HG ARG 89 2HG ARG 89 4.498 -4.904 -28.654 724 1HD ARG 89 1HD ARG 89 5.725 -6.159 -26.650 725 2HD ARG 89 2HD ARG 89 4.407 -7.297 -26.902 726 HE ARG 89 HE ARG 89 5.425 -6.803 -29.410 727 1HH1 ARG 89 1HH1 ARG 89 6.640 -8.085 -26.388 728 2HH1 ARG 89 2HH1 ARG 89 7.862 -9.068 -27.138 729 1HH2 ARG 89 1HH2 ARG 89 7.055 -8.050 -30.404 730 2HH2 ARG 89 2HH2 ARG 89 8.101 -9.044 -29.432 731 H TRP 90 H TRP 90 2.998 -0.848 -27.015 732 HA TRP 90 HA TRP 90 3.930 -0.272 -24.417 733 1HB TRP 90 1HB TRP 90 4.377 1.176 -26.361 734 2HB TRP 90 2HB TRP 90 2.666 1.580 -26.453 735 HD1 TRP 90 HD1 TRP 90 1.944 3.684 -25.180 736 HE1 TRP 90 HE1 TRP 90 3.008 5.207 -23.404 737 HE3 TRP 90 HE3 TRP 90 6.165 0.968 -24.194 738 HZ2 TRP 90 HZ2 TRP 90 5.323 5.256 -21.791 739 HZ3 TRP 90 HZ3 TRP 90 7.752 1.826 -22.518 740 HH2 TRP 90 HH2 TRP 90 7.334 3.927 -21.346 741 H LEU 91 H LEU 91 0.745 -0.452 -25.824 742 HA LEU 91 HA LEU 91 -0.692 0.953 -23.861 743 1HB LEU 91 1HB LEU 91 -1.578 -1.331 -25.623 744 2HB LEU 91 2HB LEU 91 -2.656 -0.316 -24.684 745 HG LEU 91 HG LEU 91 -0.889 0.627 -26.941 746 1HD1 LEU 91 1HD1 LEU 91 -2.983 0.929 -28.157 747 2HD1 LEU 91 2HD1 LEU 91 -3.871 0.229 -26.805 748 3HD1 LEU 91 3HD1 LEU 91 -2.731 -0.760 -27.716 749 1HD2 LEU 91 1HD2 LEU 91 -2.975 2.107 -25.342 750 2HD2 LEU 91 2HD2 LEU 91 -2.077 2.742 -26.720 751 3HD2 LEU 91 3HD2 LEU 91 -1.231 2.341 -25.226 752 H ASP 92 H ASP 92 0.299 -2.433 -24.075 753 HA ASP 92 HA ASP 92 -1.164 -3.264 -21.774 754 1HB ASP 92 1HB ASP 92 -0.462 -4.862 -23.529 755 2HB ASP 92 2HB ASP 92 1.222 -4.600 -23.076 756 H PHE 93 H PHE 93 2.230 -2.420 -22.371 757 HA PHE 93 HA PHE 93 3.184 -2.793 -19.767 758 1HB PHE 93 1HB PHE 93 4.718 -2.448 -21.612 759 2HB PHE 93 2HB PHE 93 4.068 -0.837 -21.900 760 HD1 PHE 93 HD1 PHE 93 5.943 -2.886 -19.446 761 HD2 PHE 93 HD2 PHE 93 4.927 1.027 -20.768 762 HE1 PHE 93 HE1 PHE 93 7.622 -1.938 -17.915 763 HE2 PHE 93 HE2 PHE 93 6.602 1.983 -19.243 764 HZ PHE 93 HZ PHE 93 7.949 0.503 -17.813 765 H TYR 94 H TYR 94 1.737 0.027 -21.323 766 HA TYR 94 HA TYR 94 1.918 1.891 -19.292 767 1HB TYR 94 1HB TYR 94 1.102 2.531 -21.453 768 2HB TYR 94 2HB TYR 94 -0.244 1.405 -21.346 769 HD1 TYR 94 HD1 TYR 94 -2.278 2.416 -21.102 770 HD2 TYR 94 HD2 TYR 94 1.099 4.207 -19.239 771 HE1 TYR 94 HE1 TYR 94 -3.718 4.203 -20.230 772 HE2 TYR 94 HE2 TYR 94 -0.338 5.998 -18.354 773 HH TYR 94 HH TYR 94 -2.387 7.017 -18.618 774 H ALA 95 H ALA 95 -0.727 -0.436 -19.864 775 HA ALA 95 HA ALA 95 -2.171 0.238 -17.533 776 1HB ALA 95 1HB ALA 95 -3.158 -0.932 -19.455 777 2HB ALA 95 2HB ALA 95 -3.438 -1.786 -17.940 778 3HB ALA 95 3HB ALA 95 -2.205 -2.361 -19.062 779 H ALA 96 H ALA 96 0.166 -2.330 -18.229 780 HA ALA 96 HA ALA 96 0.021 -3.811 -15.917 781 1HB ALA 96 1HB ALA 96 1.346 -4.460 -17.862 782 2HB ALA 96 2HB ALA 96 2.301 -4.538 -16.382 783 3HB ALA 96 3HB ALA 96 2.513 -3.189 -17.500 784 H MET 97 H MET 97 2.085 -0.978 -16.511 785 HA MET 97 HA MET 97 3.065 -1.105 -13.806 786 1HB MET 97 1HB MET 97 4.464 -0.371 -15.776 787 2HB MET 97 2HB MET 97 3.554 1.136 -15.761 788 1HG MET 97 1HG MET 97 4.404 1.776 -13.690 789 2HG MET 97 2HG MET 97 4.928 0.141 -13.295 790 1HE MET 97 1HE MET 97 5.485 2.111 -16.683 791 2HE MET 97 2HE MET 97 7.044 2.867 -16.355 792 3HE MET 97 3HE MET 97 5.620 3.343 -15.428 793 H THR 98 H THR 98 0.579 0.668 -15.507 794 HA THR 98 HA THR 98 0.220 2.717 -13.583 795 HB THR 98 HB THR 98 -1.769 1.506 -15.520 796 HG1 THR 98 HG1 THR 98 -0.213 2.590 -16.648 797 1HG2 THR 98 1HG2 THR 98 -3.131 3.506 -15.138 798 2HG2 THR 98 2HG2 THR 98 -2.006 4.036 -13.887 799 3HG2 THR 98 3HG2 THR 98 -2.950 2.564 -13.658 800 H GLU 99 H GLU 99 -1.372 -0.488 -13.888 801 HA GLU 99 HA GLU 99 -2.941 -0.269 -11.590 802 1HB GLU 99 1HB GLU 99 -1.737 -2.552 -13.072 803 2HB GLU 99 2HB GLU 99 -2.338 -2.866 -11.451 804 1HG GLU 99 1HG GLU 99 -4.088 -3.407 -12.880 805 2HG GLU 99 2HG GLU 99 -4.519 -1.841 -12.208 806 H PHE 100 H PHE 100 0.397 -1.298 -11.974 807 HA PHE 100 HA PHE 100 0.935 -1.884 -9.279 808 1HB PHE 100 1HB PHE 100 2.373 -2.663 -11.065 809 2HB PHE 100 2HB PHE 100 2.778 -1.010 -11.511 810 HD1 PHE 100 HD1 PHE 100 2.999 -3.379 -8.648 811 HD2 PHE 100 HD2 PHE 100 4.687 -0.045 -10.678 812 HE1 PHE 100 HE1 PHE 100 4.955 -3.463 -7.157 813 HE2 PHE 100 HE2 PHE 100 6.642 -0.125 -9.194 814 HZ PHE 100 HZ PHE 100 6.779 -1.838 -7.431 815 H LEU 101 H LEU 101 1.737 1.084 -11.134 816 HA LEU 101 HA LEU 101 2.834 2.401 -8.873 817 1HB LEU 101 1HB LEU 101 1.920 3.483 -11.535 818 2HB LEU 101 2HB LEU 101 2.712 4.453 -10.310 819 HG LEU 101 HG LEU 101 3.910 2.077 -11.736 820 1HD1 LEU 101 1HD1 LEU 101 4.524 5.021 -11.923 821 2HD1 LEU 101 2HD1 LEU 101 3.685 4.064 -13.142 822 3HD1 LEU 101 3HD1 LEU 101 5.373 3.725 -12.765 823 1HD2 LEU 101 1HD2 LEU 101 5.970 2.658 -10.589 824 2HD2 LEU 101 2HD2 LEU 101 4.703 2.286 -9.420 825 3HD2 LEU 101 3HD2 LEU 101 5.148 3.963 -9.734 826 H GLY 102 H GLY 102 -0.367 2.399 -10.345 827 1HA GLY 102 1HA GLY 102 -1.348 4.622 -8.861 828 2HA GLY 102 2HA GLY 102 -2.326 3.450 -9.709 829 H LEU 103 H LEU 103 -0.742 1.376 -8.021 830 HA LEU 103 HA LEU 103 -2.546 1.306 -5.776 831 1HB LEU 103 1HB LEU 103 -0.112 -0.333 -6.467 832 2HB LEU 103 2HB LEU 103 -1.039 -0.582 -5.000 833 HG LEU 103 HG LEU 103 -2.058 -0.898 -7.820 834 1HD1 LEU 103 1HD1 LEU 103 -0.552 -2.679 -7.129 835 2HD1 LEU 103 2HD1 LEU 103 -2.213 -3.262 -7.245 836 3HD1 LEU 103 3HD1 LEU 103 -1.504 -2.928 -5.666 837 1HD2 LEU 103 1HD2 LEU 103 -4.105 -1.743 -6.791 838 2HD2 LEU 103 2HD2 LEU 103 -3.809 -0.067 -6.333 839 3HD2 LEU 103 3HD2 LEU 103 -3.464 -1.369 -5.192 840 H PHE 104 H PHE 104 0.571 2.621 -6.408 841 HA PHE 104 HA PHE 104 1.154 3.026 -3.588 842 1HB PHE 104 1HB PHE 104 2.685 3.707 -6.100 843 2HB PHE 104 2HB PHE 104 3.214 4.178 -4.489 844 HD1 PHE 104 HD1 PHE 104 4.147 2.594 -2.973 845 HD2 PHE 104 HD2 PHE 104 2.672 1.353 -6.764 846 HE1 PHE 104 HE1 PHE 104 5.269 0.423 -2.690 847 HE2 PHE 104 HE2 PHE 104 3.787 -0.821 -6.490 848 HZ PHE 104 HZ PHE 104 5.085 -1.291 -4.453 849 H VAL 105 H VAL 105 0.578 5.012 -6.494 850 HA VAL 105 HA VAL 105 0.608 7.456 -5.029 851 HB VAL 105 HB VAL 105 -0.498 8.409 -7.119 852 1HG1 VAL 105 1HG1 VAL 105 2.164 7.027 -7.397 853 2HG1 VAL 105 2HG1 VAL 105 1.891 8.605 -6.659 854 3HG1 VAL 105 3HG1 VAL 105 1.591 8.373 -8.380 855 1HG2 VAL 105 1HG2 VAL 105 -0.345 7.045 -9.136 856 2HG2 VAL 105 2HG2 VAL 105 -1.476 6.371 -7.963 857 3HG2 VAL 105 3HG2 VAL 105 0.128 5.662 -8.150 858 H ASP 106 H ASP 106 -1.077 8.922 -4.763 859 HA ASP 106 HA ASP 106 -3.423 7.789 -3.679 860 1HB ASP 106 1HB ASP 106 -2.431 9.905 -2.837 861 2HB ASP 106 2HB ASP 106 -2.861 10.684 -4.359 862 H GLU 107 H GLU 107 -4.604 6.785 -4.994 863 HA GLU 107 HA GLU 107 -5.294 7.274 -7.657 864 1HB GLU 107 1HB GLU 107 -5.606 5.168 -6.349 865 2HB GLU 107 2HB GLU 107 -6.972 5.914 -5.538 866 1HG GLU 107 1HG GLU 107 -8.076 6.157 -7.740 867 2HG GLU 107 2HG GLU 107 -6.738 5.261 -8.456 868 H LYS 108 H LYS 108 -5.483 9.725 -6.626 869 HA LYS 108 HA LYS 108 -8.158 10.512 -7.443 870 1HB LYS 108 1HB LYS 108 -6.915 11.745 -4.967 871 2HB LYS 108 2HB LYS 108 -8.498 12.089 -5.640 872 1HG LYS 108 1HG LYS 108 -9.251 9.849 -5.016 873 2HG LYS 108 2HG LYS 108 -7.656 9.508 -4.338 874 1HD LYS 108 1HD LYS 108 -8.012 11.564 -2.876 875 2HD LYS 108 2HD LYS 108 -9.699 11.501 -3.388 876 1HE LYS 108 1HE LYS 108 -8.211 9.261 -2.023 877 2HE LYS 108 2HE LYS 108 -9.310 10.380 -1.224 878 1HZ LYS 108 1HZ LYS 108 -11.129 9.535 -2.474 879 2HZ LYS 108 2HZ LYS 108 -10.302 8.201 -1.830 880 3HZ LYS 108 3HZ LYS 108 -10.114 8.606 -3.464 881 H LYS 109 H LYS 109 -4.959 11.402 -6.325 882 HA LYS 109 HA LYS 109 -4.755 13.862 -7.747 883 1HB LYS 109 1HB LYS 109 -2.745 12.059 -6.413 884 2HB LYS 109 2HB LYS 109 -2.301 13.583 -7.163 885 1HG LYS 109 1HG LYS 109 -3.568 14.825 -5.591 886 2HG LYS 109 2HG LYS 109 -4.356 13.366 -4.978 887 1HD LYS 109 1HD LYS 109 -2.564 14.213 -3.488 888 2HD LYS 109 2HD LYS 109 -2.274 12.571 -4.064 889 1HE LYS 109 1HE LYS 109 -0.833 13.570 -5.867 890 2HE LYS 109 2HE LYS 109 -0.985 15.115 -5.031 891 1HZ LYS 109 1HZ LYS 109 0.110 12.633 -3.822 892 2HZ LYS 109 2HZ LYS 109 0.043 14.162 -3.090 893 3HZ LYS 109 3HZ LYS 109 1.045 13.905 -4.430 894 H LEU 110 H LEU 110 -4.669 10.684 -8.823 895 HA LEU 110 HA LEU 110 -2.503 10.801 -10.605 896 1HB LEU 110 1HB LEU 110 -3.678 8.858 -11.748 897 2HB LEU 110 2HB LEU 110 -3.196 8.648 -10.090 898 HG LEU 110 HG LEU 110 -5.618 9.140 -9.462 899 1HD1 LEU 110 1HD1 LEU 110 -7.318 8.846 -11.115 900 2HD1 LEU 110 2HD1 LEU 110 -6.122 8.499 -12.361 901 3HD1 LEU 110 3HD1 LEU 110 -6.244 10.122 -11.685 902 1HD2 LEU 110 1HD2 LEU 110 -4.635 6.922 -9.406 903 2HD2 LEU 110 2HD2 LEU 110 -4.968 6.720 -11.129 904 3HD2 LEU 110 3HD2 LEU 110 -6.300 6.848 -9.979 905 H GLU 111 H GLU 111 -5.837 11.666 -10.933 906 HA GLU 111 HA GLU 111 -7.096 12.316 -12.761 907 1HB GLU 111 1HB GLU 111 -5.446 14.287 -11.575 908 2HB GLU 111 2HB GLU 111 -5.582 14.666 -13.288 909 1HG GLU 111 1HG GLU 111 -7.917 14.148 -11.460 910 2HG GLU 111 2HG GLU 111 -7.301 15.745 -11.876 911 H HIS 112 H HIS 112 -5.402 10.434 -13.906 912 HA HIS 112 HA HIS 112 -4.711 11.782 -16.398 913 1HB HIS 112 1HB HIS 112 -3.301 9.911 -17.002 914 2HB HIS 112 2HB HIS 112 -2.839 10.517 -15.427 915 HD1 HIS 112 HD1 HIS 112 -2.248 7.641 -16.634 916 HD2 HIS 112 HD2 HIS 112 -5.191 8.622 -13.875 917 HE1 HIS 112 HE1 HIS 112 -2.745 5.507 -15.394 918 H HIS 113 H HIS 113 -6.776 11.987 -17.144 919 HA HIS 113 HA HIS 113 -8.454 9.611 -17.209 920 1HB HIS 113 1HB HIS 113 -10.248 11.252 -17.937 921 2HB HIS 113 2HB HIS 113 -9.610 11.458 -16.313 922 HD1 HIS 113 HD1 HIS 113 -8.550 13.692 -15.748 923 HD2 HIS 113 HD2 HIS 113 -9.460 13.287 -19.791 924 HE1 HIS 113 HE1 HIS 113 -8.217 15.968 -16.757 925 H HIS 114 H HIS 114 -7.809 8.359 -18.842 926 HA HIS 114 HA HIS 114 -7.835 9.482 -21.538 927 1HB HIS 114 1HB HIS 114 -6.964 6.836 -20.415 928 2HB HIS 114 2HB HIS 114 -7.338 6.988 -22.129 929 HD1 HIS 114 HD1 HIS 114 -4.517 7.076 -20.006 930 HD2 HIS 114 HD2 HIS 114 -5.812 9.434 -23.178 931 HE1 HIS 114 HE1 HIS 114 -2.475 8.271 -20.845 932 H HIS 115 H HIS 115 -9.879 9.915 -22.055 933 HA HIS 115 HA HIS 115 -12.015 8.259 -21.069 934 1HB HIS 115 1HB HIS 115 -12.205 10.722 -21.122 935 2HB HIS 115 2HB HIS 115 -12.142 10.677 -22.881 936 HD1 HIS 115 HD1 HIS 115 -14.435 11.358 -23.555 937 HD2 HIS 115 HD2 HIS 115 -14.473 8.486 -20.546 938 HE1 HIS 115 HE1 HIS 115 -16.850 10.726 -23.246 939 H HIS 116 H HIS 116 -11.612 6.307 -22.129 940 HA HIS 116 HA HIS 116 -13.204 6.177 -24.535 941 1HB HIS 116 1HB HIS 116 -10.866 6.317 -25.404 942 2HB HIS 116 2HB HIS 116 -10.471 4.866 -24.490 943 HD1 HIS 116 HD1 HIS 116 -12.293 6.038 -27.541 944 HD2 HIS 116 HD2 HIS 116 -11.445 2.460 -25.589 945 HE1 HIS 116 HE1 HIS 116 -12.904 4.218 -29.157 946 H HIS 117 H HIS 117 -14.630 5.356 -22.983 947 HA HIS 117 HA HIS 117 -14.194 2.505 -22.452 948 1HB HIS 117 1HB HIS 117 -15.029 4.610 -20.476 949 2HB HIS 117 2HB HIS 117 -15.561 2.945 -20.285 950 HD1 HIS 117 HD1 HIS 117 -13.959 1.337 -19.224 951 HD2 HIS 117 HD2 HIS 117 -12.159 4.935 -20.292 952 HE1 HIS 117 HE1 HIS 117 -11.649 1.262 -18.237 Start of MODEL 2 1 HA LEU 1 HA LEU 1 2.534 1.377 1.538 2 1HB LEU 1 1HB LEU 1 1.333 3.454 -0.303 3 2HB LEU 1 2HB LEU 1 1.946 1.887 -0.797 4 HG LEU 1 HG LEU 1 -0.413 2.321 1.039 5 1HD1 LEU 1 1HD1 LEU 1 -1.762 1.565 -0.850 6 2HD1 LEU 1 2HD1 LEU 1 -0.318 1.494 -1.861 7 3HD1 LEU 1 3HD1 LEU 1 -0.887 3.045 -1.244 8 1HD2 LEU 1 1HD2 LEU 1 0.692 -0.184 -0.223 9 2HD2 LEU 1 2HD2 LEU 1 -0.801 -0.073 0.709 10 3HD2 LEU 1 3HD2 LEU 1 0.750 0.234 1.490 11 H ASN 2 H ASN 2 2.816 4.766 0.538 12 HA ASN 2 HA ASN 2 4.553 6.106 0.041 13 1HB ASN 2 1HB ASN 2 6.145 4.043 1.570 14 2HB ASN 2 2HB ASN 2 6.819 5.551 0.965 15 1HD2 ASN 2 2HD2 ASN 2 4.451 7.121 1.511 16 2HD2 ASN 2 1HD2 ASN 2 4.384 7.321 3.230 17 H ILE 3 H ILE 3 4.455 5.951 -2.145 18 HA ILE 3 HA ILE 3 5.785 3.905 -3.645 19 HB ILE 3 HB ILE 3 3.921 5.241 -4.587 20 1HG1 ILE 3 1HG1 ILE 3 6.521 5.569 -6.095 21 2HG1 ILE 3 2HG1 ILE 3 5.511 4.127 -6.102 22 1HG2 ILE 3 1HG2 ILE 3 4.306 7.538 -5.336 23 2HG2 ILE 3 2HG2 ILE 3 5.898 7.514 -4.579 24 3HG2 ILE 3 3HG2 ILE 3 4.448 7.392 -3.583 25 1HD1 ILE 3 1HD1 ILE 3 4.738 6.840 -7.161 26 2HD1 ILE 3 2HD1 ILE 3 3.717 5.402 -7.164 27 3HD1 ILE 3 3HD1 ILE 3 5.196 5.432 -8.122 28 H GLU 4 H GLU 4 6.757 6.578 -1.868 29 HA GLU 4 HA GLU 4 9.154 7.292 -3.170 30 1HB GLU 4 1HB GLU 4 8.618 7.363 -0.196 31 2HB GLU 4 2HB GLU 4 9.789 8.327 -1.082 32 1HG GLU 4 1HG GLU 4 8.117 9.851 -0.777 33 2HG GLU 4 2HG GLU 4 7.677 9.191 -2.352 34 H ARG 5 H ARG 5 8.279 4.362 -1.907 35 HA ARG 5 HA ARG 5 11.016 3.657 -1.085 36 1HB ARG 5 1HB ARG 5 8.483 2.047 -0.712 37 2HB ARG 5 2HB ARG 5 10.062 1.691 -0.031 38 1HG ARG 5 1HG ARG 5 9.904 3.767 1.304 39 2HG ARG 5 2HG ARG 5 8.272 4.003 0.672 40 1HD ARG 5 1HD ARG 5 9.263 1.707 2.356 41 2HD ARG 5 2HD ARG 5 8.114 2.957 2.831 42 HE ARG 5 HE ARG 5 6.552 1.982 1.205 43 1HH1 ARG 5 1HH1 ARG 5 9.290 0.052 2.229 44 2HH1 ARG 5 2HH1 ARG 5 8.518 -1.467 1.881 45 1HH2 ARG 5 1HH2 ARG 5 5.534 -0.019 0.717 46 2HH2 ARG 5 2HH2 ARG 5 6.397 -1.501 0.996 47 H LEU 6 H LEU 6 9.076 3.685 -3.711 48 HA LEU 6 HA LEU 6 9.382 1.061 -4.741 49 1HB LEU 6 1HB LEU 6 7.588 2.465 -5.520 50 2HB LEU 6 2HB LEU 6 8.721 3.684 -6.073 51 HG LEU 6 HG LEU 6 9.565 2.106 -7.752 52 1HD1 LEU 6 1HD1 LEU 6 9.063 0.013 -6.642 53 2HD1 LEU 6 2HD1 LEU 6 8.295 0.057 -8.229 54 3HD1 LEU 6 3HD1 LEU 6 7.333 0.335 -6.777 55 1HD2 LEU 6 1HD2 LEU 6 7.824 3.713 -8.331 56 2HD2 LEU 6 2HD2 LEU 6 6.588 2.548 -7.855 57 3HD2 LEU 6 3HD2 LEU 6 7.633 2.212 -9.237 58 H THR 7 H THR 7 11.396 0.309 -4.968 59 HA THR 7 HA THR 7 13.472 2.042 -6.074 60 HB THR 7 HB THR 7 14.925 -0.010 -5.397 61 HG1 THR 7 HG1 THR 7 13.716 -0.954 -3.431 62 1HG2 THR 7 1HG2 THR 7 15.080 0.818 -3.098 63 2HG2 THR 7 2HG2 THR 7 13.555 1.679 -3.298 64 3HG2 THR 7 3HG2 THR 7 14.964 2.152 -4.248 65 H THR 8 H THR 8 11.943 -1.135 -6.639 66 HA THR 8 HA THR 8 13.347 -1.277 -9.230 67 HB THR 8 HB THR 8 12.498 -3.702 -7.659 68 HG1 THR 8 HG1 THR 8 14.825 -2.103 -7.364 69 1HG2 THR 8 1HG2 THR 8 14.593 -3.257 -9.791 70 2HG2 THR 8 2HG2 THR 8 13.032 -4.046 -10.015 71 3HG2 THR 8 3HG2 THR 8 14.257 -4.792 -8.988 72 H LEU 9 H LEU 9 12.195 -2.071 -11.003 73 HA LEU 9 HA LEU 9 9.296 -1.956 -10.815 74 1HB LEU 9 1HB LEU 9 11.268 -2.037 -13.067 75 2HB LEU 9 2HB LEU 9 9.594 -2.440 -13.374 76 HG LEU 9 HG LEU 9 10.030 -0.137 -13.964 77 1HD1 LEU 9 1HD1 LEU 9 8.363 -0.358 -11.466 78 2HD1 LEU 9 2HD1 LEU 9 7.823 -0.678 -13.115 79 3HD1 LEU 9 3HD1 LEU 9 8.292 0.955 -12.641 80 1HD2 LEU 9 1HD2 LEU 9 10.824 0.240 -11.083 81 2HD2 LEU 9 2HD2 LEU 9 10.650 1.519 -12.286 82 3HD2 LEU 9 3HD2 LEU 9 11.904 0.294 -12.477 83 H GLN 10 H GLN 10 10.778 -4.224 -9.643 84 HA GLN 10 HA GLN 10 10.856 -6.479 -11.251 85 1HB GLN 10 1HB GLN 10 11.882 -6.306 -9.008 86 2HB GLN 10 2HB GLN 10 10.285 -6.422 -8.285 87 1HG GLN 10 1HG GLN 10 11.469 -8.552 -8.215 88 2HG GLN 10 2HG GLN 10 10.008 -8.656 -9.194 89 1HE2 GLN 10 2HE2 GLN 10 10.187 -8.868 -11.429 90 2HE2 GLN 10 1HE2 GLN 10 11.663 -9.357 -12.188 91 HA PRO 11 HA PRO 11 6.333 -7.628 -9.777 92 1HB PRO 11 1HB PRO 11 5.207 -4.924 -9.334 93 2HB PRO 11 2HB PRO 11 4.956 -6.413 -8.416 94 1HG PRO 11 1HG PRO 11 6.452 -4.436 -7.432 95 2HG PRO 11 2HG PRO 11 6.893 -6.136 -7.175 96 1HD PRO 11 1HD PRO 11 8.033 -4.153 -9.110 97 2HD PRO 11 2HD PRO 11 8.865 -5.373 -8.127 98 H VAL 12 H VAL 12 7.089 -4.663 -11.508 99 HA VAL 12 HA VAL 12 4.785 -4.745 -13.206 100 HB VAL 12 HB VAL 12 7.366 -3.201 -13.541 101 1HG1 VAL 12 1HG1 VAL 12 6.046 -1.751 -15.038 102 2HG1 VAL 12 2HG1 VAL 12 4.696 -2.881 -14.910 103 3HG1 VAL 12 3HG1 VAL 12 6.210 -3.394 -15.656 104 1HG2 VAL 12 1HG2 VAL 12 6.103 -1.309 -12.632 105 2HG2 VAL 12 2HG2 VAL 12 6.206 -2.637 -11.477 106 3HG2 VAL 12 3HG2 VAL 12 4.713 -2.365 -12.373 107 H TRP 13 H TRP 13 8.199 -5.642 -13.543 108 HA TRP 13 HA TRP 13 8.081 -6.442 -16.229 109 1HB TRP 13 1HB TRP 13 9.873 -7.338 -13.971 110 2HB TRP 13 2HB TRP 13 10.080 -7.878 -15.633 111 HD1 TRP 13 HD1 TRP 13 11.812 -5.713 -13.560 112 HE1 TRP 13 HE1 TRP 13 12.745 -3.627 -14.748 113 HE3 TRP 13 HE3 TRP 13 8.905 -5.802 -17.770 114 HZ2 TRP 13 HZ2 TRP 13 12.301 -2.208 -17.149 115 HZ3 TRP 13 HZ3 TRP 13 9.221 -4.042 -19.456 116 HH2 TRP 13 HH2 TRP 13 10.881 -2.281 -19.152 117 H ASP 14 H ASP 14 7.377 -8.175 -13.253 118 HA ASP 14 HA ASP 14 6.895 -10.698 -14.463 119 1HB ASP 14 1HB ASP 14 7.322 -10.561 -12.084 120 2HB ASP 14 2HB ASP 14 5.912 -9.532 -11.852 121 H ARG 15 H ARG 15 4.859 -7.923 -13.720 122 HA ARG 15 HA ARG 15 2.403 -9.191 -14.388 123 1HB ARG 15 1HB ARG 15 2.717 -7.139 -12.920 124 2HB ARG 15 2HB ARG 15 2.941 -6.224 -14.405 125 1HG ARG 15 1HG ARG 15 0.728 -6.705 -15.130 126 2HG ARG 15 2HG ARG 15 0.490 -7.858 -13.815 127 1HD ARG 15 1HD ARG 15 0.821 -5.965 -12.209 128 2HD ARG 15 2HD ARG 15 0.821 -4.870 -13.592 129 HE ARG 15 HE ARG 15 -1.470 -5.362 -13.947 130 1HH1 ARG 15 1HH1 ARG 15 -0.149 -6.839 -11.050 131 2HH1 ARG 15 2HH1 ARG 15 -1.716 -7.174 -10.361 132 1HH2 ARG 15 1HH2 ARG 15 -3.516 -5.765 -13.032 133 2HH2 ARG 15 2HH2 ARG 15 -3.626 -6.551 -11.482 134 H TYR 16 H TYR 16 4.762 -7.301 -16.172 135 HA TYR 16 HA TYR 16 3.304 -6.924 -18.553 136 1HB TYR 16 1HB TYR 16 5.361 -5.704 -18.104 137 2HB TYR 16 2HB TYR 16 6.280 -7.203 -18.089 138 HD1 TYR 16 HD1 TYR 16 4.193 -5.064 -20.309 139 HD2 TYR 16 HD2 TYR 16 7.282 -7.978 -20.045 140 HE1 TYR 16 HE1 TYR 16 4.642 -4.802 -22.713 141 HE2 TYR 16 HE2 TYR 16 7.734 -7.726 -22.446 142 HH TYR 16 HH TYR 16 6.452 -5.170 -24.295 143 H ASP 17 H ASP 17 5.564 -9.491 -17.621 144 HA ASP 17 HA ASP 17 5.373 -10.970 -19.988 145 1HB ASP 17 1HB ASP 17 7.101 -11.433 -18.316 146 2HB ASP 17 2HB ASP 17 5.872 -11.977 -17.178 147 H THR 18 H THR 18 3.520 -11.251 -16.956 148 HA THR 18 HA THR 18 2.026 -13.482 -17.849 149 HB THR 18 HB THR 18 2.407 -12.904 -15.449 150 HG1 THR 18 HG1 THR 18 0.795 -14.216 -15.167 151 1HG2 THR 18 1HG2 THR 18 0.221 -10.881 -15.933 152 2HG2 THR 18 2HG2 THR 18 1.898 -10.517 -15.530 153 3HG2 THR 18 3HG2 THR 18 0.868 -11.341 -14.359 154 H GLN 19 H GLN 19 1.405 -9.999 -17.966 155 HA GLN 19 HA GLN 19 -1.286 -10.131 -18.795 156 1HB GLN 19 1HB GLN 19 0.347 -8.165 -18.042 157 2HB GLN 19 2HB GLN 19 0.530 -7.998 -19.780 158 1HG GLN 19 1HG GLN 19 -2.082 -7.894 -18.288 159 2HG GLN 19 2HG GLN 19 -1.156 -6.501 -18.824 160 1HE2 GLN 19 2HE2 GLN 19 -1.007 -6.075 -21.050 161 2HE2 GLN 19 1HE2 GLN 19 -2.147 -6.717 -22.173 162 H ILE 20 H ILE 20 1.781 -10.168 -20.485 163 HA ILE 20 HA ILE 20 0.949 -9.952 -23.119 164 HB ILE 20 HB ILE 20 3.310 -11.054 -21.709 165 1HG1 ILE 20 1HG1 ILE 20 3.173 -8.701 -22.244 166 2HG1 ILE 20 2HG1 ILE 20 4.475 -9.447 -23.162 167 1HG2 ILE 20 1HG2 ILE 20 2.958 -12.794 -23.385 168 2HG2 ILE 20 2HG2 ILE 20 4.383 -11.826 -23.767 169 3HG2 ILE 20 3HG2 ILE 20 2.879 -11.570 -24.653 170 1HD1 ILE 20 1HD1 ILE 20 1.742 -8.759 -24.216 171 2HD1 ILE 20 2HD1 ILE 20 3.043 -9.513 -25.138 172 3HD1 ILE 20 3HD1 ILE 20 3.236 -7.872 -24.520 173 H HIS 21 H HIS 21 0.553 -12.629 -20.935 174 HA HIS 21 HA HIS 21 0.109 -14.643 -22.921 175 1HB HIS 21 1HB HIS 21 -0.831 -14.521 -20.044 176 2HB HIS 21 2HB HIS 21 -0.959 -15.934 -21.081 177 HD1 HIS 21 HD1 HIS 21 0.949 -17.541 -20.946 178 HD2 HIS 21 HD2 HIS 21 1.964 -13.735 -19.597 179 HE1 HIS 21 HE1 HIS 21 3.285 -17.749 -20.029 180 H ASN 22 H ASN 22 -1.854 -12.246 -21.304 181 HA ASN 22 HA ASN 22 -4.335 -13.231 -22.411 182 1HB ASN 22 1HB ASN 22 -4.423 -12.140 -20.244 183 2HB ASN 22 2HB ASN 22 -3.652 -10.699 -20.899 184 1HD2 ASN 22 2HD2 ASN 22 -5.300 -9.331 -20.358 185 2HD2 ASN 22 1HD2 ASN 22 -6.849 -9.365 -21.131 186 H GLN 23 H GLN 23 -2.671 -10.104 -22.636 187 HA GLN 23 HA GLN 23 -2.238 -8.683 -24.344 188 1HB GLN 23 1HB GLN 23 -1.908 -11.231 -25.437 189 2HB GLN 23 2HB GLN 23 -2.899 -10.373 -26.606 190 1HG GLN 23 1HG GLN 23 -0.262 -9.389 -25.536 191 2HG GLN 23 2HG GLN 23 -0.482 -10.232 -27.067 192 1HE2 GLN 23 2HE2 GLN 23 -0.864 -7.257 -25.342 193 2HE2 GLN 23 1HE2 GLN 23 -1.322 -6.299 -26.710 194 H LYS 24 H LYS 24 -5.239 -9.789 -23.680 195 HA LYS 24 HA LYS 24 -6.456 -7.866 -25.521 196 1HB LYS 24 1HB LYS 24 -7.438 -10.686 -25.078 197 2HB LYS 24 2HB LYS 24 -8.384 -9.428 -25.855 198 1HG LYS 24 1HG LYS 24 -6.630 -9.247 -27.595 199 2HG LYS 24 2HG LYS 24 -5.793 -10.603 -26.834 200 1HD LYS 24 1HD LYS 24 -7.751 -12.022 -27.198 201 2HD LYS 24 2HD LYS 24 -8.598 -10.667 -27.944 202 1HE LYS 24 1HE LYS 24 -6.845 -10.569 -29.679 203 2HE LYS 24 2HE LYS 24 -6.082 -11.985 -28.956 204 1HZ LYS 24 1HZ LYS 24 -8.796 -11.862 -30.155 205 2HZ LYS 24 2HZ LYS 24 -8.162 -13.213 -29.359 206 3HZ LYS 24 3HZ LYS 24 -7.446 -12.662 -30.797 207 H ASP 25 H ASP 25 -6.966 -6.381 -23.999 208 HA ASP 25 HA ASP 25 -9.296 -7.062 -22.407 209 1HB ASP 25 1HB ASP 25 -7.380 -7.313 -20.825 210 2HB ASP 25 2HB ASP 25 -6.941 -5.636 -21.136 211 H ASN 26 H ASN 26 -10.788 -5.507 -22.623 212 HA ASN 26 HA ASN 26 -9.887 -2.795 -23.232 213 1HB ASN 26 1HB ASN 26 -10.263 -3.926 -25.413 214 2HB ASN 26 2HB ASN 26 -11.926 -4.242 -24.937 215 1HD2 ASN 26 2HD2 ASN 26 -9.621 -1.804 -25.849 216 2HD2 ASN 26 1HD2 ASN 26 -10.773 -0.564 -26.197 217 H ASP 27 H ASP 27 -10.666 -1.835 -21.496 218 HA ASP 27 HA ASP 27 -13.507 -2.209 -20.817 219 1HB ASP 27 1HB ASP 27 -11.780 -2.580 -19.007 220 2HB ASP 27 2HB ASP 27 -11.352 -0.881 -19.147 221 H ASN 28 H ASN 28 -14.752 -0.229 -20.397 222 HA ASN 28 HA ASN 28 -14.309 1.651 -22.480 223 1HB ASN 28 1HB ASN 28 -16.337 2.748 -21.709 224 2HB ASN 28 2HB ASN 28 -16.571 1.003 -21.741 225 1HD2 ASN 28 2HD2 ASN 28 -16.382 3.835 -19.779 226 2HD2 ASN 28 1HD2 ASN 28 -16.885 3.089 -18.294 227 H GLU 29 H GLU 29 -13.170 1.481 -19.276 228 HA GLU 29 HA GLU 29 -12.691 4.359 -19.175 229 1HB GLU 29 1HB GLU 29 -12.354 2.201 -17.107 230 2HB GLU 29 2HB GLU 29 -11.815 3.854 -16.864 231 1HG GLU 29 1HG GLU 29 -14.173 4.586 -17.275 232 2HG GLU 29 2HG GLU 29 -14.631 2.881 -17.234 233 H VAL 30 H VAL 30 -11.180 1.953 -20.615 234 HA VAL 30 HA VAL 30 -8.632 3.295 -20.374 235 HB VAL 30 HB VAL 30 -8.357 1.734 -18.601 236 1HG1 VAL 30 1HG1 VAL 30 -10.073 0.107 -19.212 237 2HG1 VAL 30 2HG1 VAL 30 -8.532 -0.684 -18.880 238 3HG1 VAL 30 3HG1 VAL 30 -9.065 -0.459 -20.545 239 1HG2 VAL 30 1HG2 VAL 30 -6.393 2.111 -19.931 240 2HG2 VAL 30 2HG2 VAL 30 -6.870 0.843 -21.060 241 3HG2 VAL 30 3HG2 VAL 30 -6.424 0.427 -19.405 242 HA PRO 31 HA PRO 31 -9.028 2.152 -24.651 243 1HB PRO 31 1HB PRO 31 -7.516 4.166 -25.597 244 2HB PRO 31 2HB PRO 31 -9.177 4.414 -25.044 245 1HG PRO 31 1HG PRO 31 -6.609 5.068 -23.684 246 2HG PRO 31 2HG PRO 31 -8.154 5.932 -23.652 247 1HD PRO 31 1HD PRO 31 -7.211 4.208 -21.665 248 2HD PRO 31 2HD PRO 31 -8.891 4.741 -21.860 249 H VAL 32 H VAL 32 -7.825 0.215 -24.342 250 HA VAL 32 HA VAL 32 -4.932 0.357 -24.420 251 HB VAL 32 HB VAL 32 -6.609 -2.125 -24.713 252 1HG1 VAL 32 1HG1 VAL 32 -3.802 -1.696 -23.689 253 2HG1 VAL 32 2HG1 VAL 32 -4.250 -2.403 -25.241 254 3HG1 VAL 32 3HG1 VAL 32 -4.648 -3.243 -23.743 255 1HG2 VAL 32 1HG2 VAL 32 -5.687 -0.825 -22.151 256 2HG2 VAL 32 2HG2 VAL 32 -6.438 -2.416 -22.279 257 3HG2 VAL 32 3HG2 VAL 32 -7.354 -0.972 -22.707 258 H HIS 33 H HIS 33 -5.490 1.684 -26.475 259 HA HIS 33 HA HIS 33 -4.398 0.476 -28.702 260 1HB HIS 33 1HB HIS 33 -6.958 -0.512 -28.405 261 2HB HIS 33 2HB HIS 33 -7.198 0.831 -29.513 262 HD1 HIS 33 HD1 HIS 33 -7.464 -0.315 -31.717 263 HD2 HIS 33 HD2 HIS 33 -4.199 -1.732 -29.567 264 HE1 HIS 33 HE1 HIS 33 -6.261 -1.896 -33.266 265 H GLN 34 H GLN 34 -5.546 1.865 -30.805 266 HA GLN 34 HA GLN 34 -5.746 3.907 -31.781 267 1HB GLN 34 1HB GLN 34 -6.588 4.823 -29.021 268 2HB GLN 34 2HB GLN 34 -6.775 5.750 -30.504 269 1HG GLN 34 1HG GLN 34 -8.304 4.101 -31.382 270 2HG GLN 34 2HG GLN 34 -8.067 3.088 -29.957 271 1HE2 GLN 34 2HE2 GLN 34 -10.501 4.251 -31.033 272 2HE2 GLN 34 1HE2 GLN 34 -11.169 5.220 -29.762 273 H VAL 35 H VAL 35 -3.258 3.025 -30.734 274 HA VAL 35 HA VAL 35 -1.963 5.223 -29.405 275 HB VAL 35 HB VAL 35 -0.693 2.775 -30.632 276 1HG1 VAL 35 1HG1 VAL 35 0.299 4.686 -28.522 277 2HG1 VAL 35 2HG1 VAL 35 0.898 4.559 -30.176 278 3HG1 VAL 35 3HG1 VAL 35 1.125 3.221 -29.050 279 1HG2 VAL 35 1HG2 VAL 35 -0.767 1.805 -28.393 280 2HG2 VAL 35 2HG2 VAL 35 -2.390 2.134 -29.003 281 3HG2 VAL 35 3HG2 VAL 35 -1.659 3.210 -27.813 282 H SER 36 H SER 36 -2.024 6.979 -30.736 283 HA SER 36 HA SER 36 -0.703 6.787 -33.341 284 1HB SER 36 1HB SER 36 -2.901 8.029 -33.053 285 2HB SER 36 2HB SER 36 -2.016 9.217 -32.097 286 HG SER 36 HG SER 36 -1.147 10.010 -33.860 287 H TYR 37 H TYR 37 0.769 8.822 -33.775 288 HA TYR 37 HA TYR 37 3.072 8.561 -32.271 289 1HB TYR 37 1HB TYR 37 3.084 9.553 -34.497 290 2HB TYR 37 2HB TYR 37 2.187 10.948 -33.907 291 HD1 TYR 37 HD1 TYR 37 5.427 9.156 -33.620 292 HD2 TYR 37 HD2 TYR 37 3.307 12.789 -32.959 293 HE1 TYR 37 HE1 TYR 37 7.543 10.288 -33.092 294 HE2 TYR 37 HE2 TYR 37 5.419 13.932 -32.430 295 HH TYR 37 HH TYR 37 7.683 13.340 -31.623 296 H THR 38 H THR 38 0.499 10.954 -31.927 297 HA THR 38 HA THR 38 1.620 12.583 -29.976 298 HB THR 38 HB THR 38 -1.295 11.816 -30.199 299 HG1 THR 38 HG1 THR 38 -0.754 14.129 -31.399 300 1HG2 THR 38 1HG2 THR 38 -1.700 14.063 -29.322 301 2HG2 THR 38 2HG2 THR 38 0.038 14.321 -29.175 302 3HG2 THR 38 3HG2 THR 38 -0.758 13.097 -28.186 303 H ASN 39 H ASN 39 -0.083 9.510 -29.646 304 HA ASN 39 HA ASN 39 -0.437 9.523 -26.866 305 1HB ASN 39 1HB ASN 39 -0.586 7.532 -29.010 306 2HB ASN 39 2HB ASN 39 -0.103 6.858 -27.456 307 1HD2 ASN 39 2HD2 ASN 39 -2.110 9.680 -27.682 308 2HD2 ASN 39 1HD2 ASN 39 -3.567 8.936 -27.118 309 H LEU 40 H LEU 40 2.249 8.286 -28.834 310 HA LEU 40 HA LEU 40 3.736 7.156 -26.754 311 1HB LEU 40 1HB LEU 40 4.596 8.380 -29.368 312 2HB LEU 40 2HB LEU 40 5.748 7.688 -28.248 313 HG LEU 40 HG LEU 40 5.332 6.036 -29.887 314 1HD1 LEU 40 1HD1 LEU 40 3.678 5.364 -27.461 315 2HD1 LEU 40 2HD1 LEU 40 5.424 5.172 -27.617 316 3HD1 LEU 40 3HD1 LEU 40 4.338 4.205 -28.616 317 1HD2 LEU 40 1HD2 LEU 40 2.388 6.453 -29.405 318 2HD2 LEU 40 2HD2 LEU 40 3.099 5.232 -30.463 319 3HD2 LEU 40 3HD2 LEU 40 3.292 6.944 -30.838 320 H ALA 41 H ALA 41 3.879 10.426 -28.119 321 HA ALA 41 HA ALA 41 5.910 11.422 -26.462 322 1HB ALA 41 1HB ALA 41 5.151 12.533 -28.517 323 2HB ALA 41 2HB ALA 41 5.150 13.629 -27.135 324 3HB ALA 41 3HB ALA 41 3.632 12.948 -27.721 325 H GLU 42 H GLU 42 2.385 11.450 -26.078 326 HA GLU 42 HA GLU 42 2.322 12.927 -23.685 327 1HB GLU 42 1HB GLU 42 0.406 10.930 -24.879 328 2HB GLU 42 2HB GLU 42 0.061 11.802 -23.393 329 1HG GLU 42 1HG GLU 42 0.611 13.063 -26.068 330 2HG GLU 42 2HG GLU 42 -0.981 12.842 -25.342 331 H MET 43 H MET 43 2.364 9.424 -24.265 332 HA MET 43 HA MET 43 2.133 8.700 -21.549 333 1HB MET 43 1HB MET 43 3.183 7.167 -23.922 334 2HB MET 43 2HB MET 43 2.977 6.460 -22.325 335 1HG MET 43 1HG MET 43 0.592 6.976 -22.406 336 2HG MET 43 2HG MET 43 0.801 7.674 -24.010 337 1HE MET 43 1HE MET 43 -1.090 6.137 -25.015 338 2HE MET 43 2HE MET 43 -1.366 5.455 -23.412 339 3HE MET 43 3HE MET 43 -1.149 4.387 -24.799 340 H VAL 44 H VAL 44 4.950 9.304 -23.598 341 HA VAL 44 HA VAL 44 6.954 8.406 -21.885 342 HB VAL 44 HB VAL 44 6.949 10.725 -23.822 343 1HG1 VAL 44 1HG1 VAL 44 8.618 11.208 -22.114 344 2HG1 VAL 44 2HG1 VAL 44 9.402 10.750 -23.627 345 3HG1 VAL 44 3HG1 VAL 44 9.299 9.592 -22.301 346 1HG2 VAL 44 1HG2 VAL 44 6.742 8.478 -24.779 347 2HG2 VAL 44 2HG2 VAL 44 8.213 7.987 -23.938 348 3HG2 VAL 44 3HG2 VAL 44 8.286 9.220 -25.199 349 H GLY 45 H GLY 45 5.236 11.498 -21.912 350 1HA GLY 45 1HA GLY 45 6.780 12.685 -19.835 351 2HA GLY 45 2HA GLY 45 5.225 13.251 -20.425 352 H GLU 46 H GLU 46 3.564 11.136 -19.850 353 HA GLU 46 HA GLU 46 3.141 11.664 -17.086 354 1HB GLU 46 1HB GLU 46 1.175 10.174 -17.320 355 2HB GLU 46 2HB GLU 46 1.240 11.444 -18.531 356 1HG GLU 46 1HG GLU 46 2.223 9.753 -20.105 357 2HG GLU 46 2HG GLU 46 1.848 8.525 -18.895 358 H MET 47 H MET 47 4.417 8.870 -18.841 359 HA MET 47 HA MET 47 4.459 7.087 -16.663 360 1HB MET 47 1HB MET 47 6.182 7.291 -19.126 361 2HB MET 47 2HB MET 47 6.430 6.035 -17.923 362 1HG MET 47 1HG MET 47 3.725 6.411 -19.121 363 2HG MET 47 2HG MET 47 4.981 5.597 -20.046 364 1HE MET 47 1HE MET 47 3.023 4.038 -16.170 365 2HE MET 47 2HE MET 47 2.609 5.533 -17.012 366 3HE MET 47 3HE MET 47 4.109 5.422 -16.093 367 H ASN 48 H ASN 48 6.757 9.531 -17.747 368 HA ASN 48 HA ASN 48 8.759 8.999 -15.822 369 1HB ASN 48 1HB ASN 48 8.099 11.232 -17.661 370 2HB ASN 48 2HB ASN 48 9.092 11.640 -16.267 371 1HD2 ASN 48 2HD2 ASN 48 8.937 9.902 -19.272 372 2HD2 ASN 48 1HD2 ASN 48 10.628 9.529 -19.360 373 H LYS 49 H LYS 49 5.841 10.933 -15.787 374 HA LYS 49 HA LYS 49 6.525 12.374 -13.413 375 1HB LYS 49 1HB LYS 49 5.061 13.172 -15.322 376 2HB LYS 49 2HB LYS 49 3.807 12.119 -14.688 377 1HG LYS 49 1HG LYS 49 3.581 13.372 -12.735 378 2HG LYS 49 2HG LYS 49 5.112 14.209 -12.992 379 1HD LYS 49 1HD LYS 49 4.117 15.234 -15.042 380 2HD LYS 49 2HD LYS 49 2.570 14.524 -14.579 381 1HE LYS 49 1HE LYS 49 2.466 15.827 -12.599 382 2HE LYS 49 2HE LYS 49 4.142 16.351 -12.778 383 1HZ LYS 49 1HZ LYS 49 1.924 17.048 -14.629 384 2HZ LYS 49 2HZ LYS 49 3.527 17.588 -14.743 385 3HZ LYS 49 3HZ LYS 49 2.562 18.068 -13.436 386 H LEU 50 H LEU 50 4.702 9.465 -14.144 387 HA LEU 50 HA LEU 50 3.482 9.240 -11.575 388 1HB LEU 50 1HB LEU 50 4.028 7.168 -13.698 389 2HB LEU 50 2HB LEU 50 3.109 6.854 -12.239 390 HG LEU 50 HG LEU 50 2.355 8.822 -14.400 391 1HD1 LEU 50 1HD1 LEU 50 0.542 7.275 -14.885 392 2HD1 LEU 50 2HD1 LEU 50 1.155 6.158 -13.666 393 3HD1 LEU 50 3HD1 LEU 50 2.111 6.505 -15.107 394 1HD2 LEU 50 1HD2 LEU 50 1.595 9.593 -12.235 395 2HD2 LEU 50 2HD2 LEU 50 0.902 8.009 -11.885 396 3HD2 LEU 50 3HD2 LEU 50 0.228 9.001 -13.179 397 H LEU 51 H LEU 51 6.633 8.705 -12.718 398 HA LEU 51 HA LEU 51 7.300 7.022 -10.395 399 1HB LEU 51 1HB LEU 51 8.742 7.429 -13.016 400 2HB LEU 51 2HB LEU 51 9.397 6.520 -11.668 401 HG LEU 51 HG LEU 51 6.834 5.801 -13.097 402 1HD1 LEU 51 1HD1 LEU 51 9.593 4.610 -13.384 403 2HD1 LEU 51 2HD1 LEU 51 8.776 5.609 -14.585 404 3HD1 LEU 51 3HD1 LEU 51 8.120 4.029 -14.159 405 1HD2 LEU 51 1HD2 LEU 51 6.945 5.019 -10.792 406 2HD2 LEU 51 2HD2 LEU 51 8.522 4.295 -11.102 407 3HD2 LEU 51 3HD2 LEU 51 7.090 3.671 -11.922 408 H GLU 52 H GLU 52 6.963 10.031 -10.786 409 HA GLU 52 HA GLU 52 9.360 11.390 -10.692 410 1HB GLU 52 1HB GLU 52 6.738 12.040 -10.629 411 2HB GLU 52 2HB GLU 52 7.183 12.392 -8.967 412 1HG GLU 52 1HG GLU 52 8.806 13.467 -11.226 413 2HG GLU 52 2HG GLU 52 7.300 14.236 -10.743 414 HA PRO 53 HA PRO 53 9.672 11.041 -6.004 415 1HB PRO 53 1HB PRO 53 7.743 10.046 -4.462 416 2HB PRO 53 2HB PRO 53 7.576 11.634 -5.218 417 1HG PRO 53 1HG PRO 53 6.302 9.050 -5.940 418 2HG PRO 53 2HG PRO 53 5.669 10.698 -6.085 419 1HD PRO 53 1HD PRO 53 6.855 9.137 -8.133 420 2HD PRO 53 2HD PRO 53 6.422 10.855 -8.217 421 H SER 54 H SER 54 9.721 8.533 -7.901 422 HA SER 54 HA SER 54 9.859 6.390 -5.942 423 1HB SER 54 1HB SER 54 10.238 4.918 -7.823 424 2HB SER 54 2HB SER 54 8.921 6.015 -8.234 425 HG SER 54 HG SER 54 10.256 7.133 -9.578 426 H GLN 55 H GLN 55 11.864 4.858 -6.289 427 HA GLN 55 HA GLN 55 14.282 6.542 -6.129 428 1HB GLN 55 1HB GLN 55 13.831 3.748 -5.059 429 2HB GLN 55 2HB GLN 55 15.283 4.714 -4.846 430 1HG GLN 55 1HG GLN 55 13.874 6.384 -3.651 431 2HG GLN 55 2HG GLN 55 12.558 5.222 -3.702 432 1HE2 GLN 55 2HE2 GLN 55 12.477 5.069 -1.465 433 2HE2 GLN 55 1HE2 GLN 55 13.697 4.233 -0.550 434 H VAL 56 H VAL 56 12.788 5.144 -8.452 435 HA VAL 56 HA VAL 56 14.636 3.114 -9.315 436 HB VAL 56 HB VAL 56 12.403 4.391 -10.891 437 1HG1 VAL 56 1HG1 VAL 56 13.831 1.757 -11.212 438 2HG1 VAL 56 2HG1 VAL 56 14.020 3.176 -12.243 439 3HG1 VAL 56 3HG1 VAL 56 12.477 2.324 -12.192 440 1HG2 VAL 56 1HG2 VAL 56 11.005 2.524 -10.183 441 2HG2 VAL 56 2HG2 VAL 56 11.552 3.457 -8.789 442 3HG2 VAL 56 3HG2 VAL 56 12.316 1.914 -9.170 443 H HIS 57 H HIS 57 13.761 6.388 -10.367 444 HA HIS 57 HA HIS 57 14.568 7.763 -11.972 445 1HB HIS 57 1HB HIS 57 17.171 6.335 -11.375 446 2HB HIS 57 2HB HIS 57 17.031 7.800 -12.338 447 HD1 HIS 57 HD1 HIS 57 16.421 10.001 -11.061 448 HD2 HIS 57 HD2 HIS 57 17.111 6.697 -8.626 449 HE1 HIS 57 HE1 HIS 57 16.735 10.920 -8.742 450 H LEU 58 H LEU 58 13.138 6.405 -13.329 451 HA LEU 58 HA LEU 58 14.624 4.797 -15.280 452 1HB LEU 58 1HB LEU 58 12.599 3.981 -13.751 453 2HB LEU 58 2HB LEU 58 11.658 4.713 -15.033 454 HG LEU 58 HG LEU 58 11.931 2.303 -15.314 455 1HD1 LEU 58 1HD1 LEU 58 11.575 3.662 -17.276 456 2HD1 LEU 58 2HD1 LEU 58 12.654 2.317 -17.650 457 3HD1 LEU 58 3HD1 LEU 58 13.310 3.940 -17.425 458 1HD2 LEU 58 1HD2 LEU 58 14.864 2.933 -15.594 459 2HD2 LEU 58 2HD2 LEU 58 14.117 1.372 -15.933 460 3HD2 LEU 58 3HD2 LEU 58 14.109 2.015 -14.291 461 H LYS 59 H LYS 59 14.781 5.612 -17.289 462 HA LYS 59 HA LYS 59 13.095 7.926 -17.957 463 1HB LYS 59 1HB LYS 59 15.765 7.080 -19.081 464 2HB LYS 59 2HB LYS 59 14.814 8.424 -19.690 465 1HG LYS 59 1HG LYS 59 14.937 9.320 -17.280 466 2HG LYS 59 2HG LYS 59 16.269 8.172 -17.094 467 1HD LYS 59 1HD LYS 59 16.064 10.354 -19.168 468 2HD LYS 59 2HD LYS 59 17.112 10.358 -17.748 469 1HE LYS 59 1HE LYS 59 18.580 8.873 -18.656 470 2HE LYS 59 2HE LYS 59 17.336 8.053 -19.598 471 1HZ LYS 59 1HZ LYS 59 18.212 10.800 -20.260 472 2HZ LYS 59 2HZ LYS 59 17.406 9.671 -21.247 473 3HZ LYS 59 3HZ LYS 59 19.039 9.440 -20.850 474 H PHE 60 H PHE 60 12.323 8.161 -20.094 475 HA PHE 60 HA PHE 60 12.158 5.699 -21.693 476 1HB PHE 60 1HB PHE 60 9.847 7.551 -21.044 477 2HB PHE 60 2HB PHE 60 9.776 6.189 -22.154 478 HD1 PHE 60 HD1 PHE 60 9.580 7.262 -18.725 479 HD2 PHE 60 HD2 PHE 60 10.031 3.873 -21.258 480 HE1 PHE 60 HE1 PHE 60 8.954 5.786 -16.857 481 HE2 PHE 60 HE2 PHE 60 9.401 2.393 -19.399 482 HZ PHE 60 HZ PHE 60 8.865 3.348 -17.194 483 H GLU 61 H GLU 61 13.029 6.183 -23.649 484 HA GLU 61 HA GLU 61 12.716 8.954 -24.616 485 1HB GLU 61 1HB GLU 61 15.056 7.181 -24.482 486 2HB GLU 61 2HB GLU 61 14.836 7.951 -26.044 487 1HG GLU 61 1HG GLU 61 16.257 9.369 -24.858 488 2HG GLU 61 2HG GLU 61 14.678 10.144 -24.788 489 H LEU 62 H LEU 62 11.957 9.285 -26.620 490 HA LEU 62 HA LEU 62 10.682 7.046 -27.931 491 1HB LEU 62 1HB LEU 62 9.532 9.206 -27.664 492 2HB LEU 62 2HB LEU 62 10.752 9.981 -28.655 493 HG LEU 62 HG LEU 62 10.047 8.532 -30.566 494 1HD1 LEU 62 1HD1 LEU 62 9.064 6.703 -29.282 495 2HD1 LEU 62 2HD1 LEU 62 7.900 7.377 -30.422 496 3HD1 LEU 62 3HD1 LEU 62 7.790 7.781 -28.710 497 1HD2 LEU 62 1HD2 LEU 62 7.986 9.765 -31.020 498 2HD2 LEU 62 2HD2 LEU 62 9.234 10.815 -30.348 499 3HD2 LEU 62 3HD2 LEU 62 7.906 10.258 -29.329 500 H HIS 63 H HIS 63 11.565 5.900 -29.498 501 HA HIS 63 HA HIS 63 13.368 7.220 -31.381 502 1HB HIS 63 1HB HIS 63 14.138 5.088 -29.521 503 2HB HIS 63 2HB HIS 63 14.518 4.728 -31.202 504 HD1 HIS 63 HD1 HIS 63 16.547 5.804 -32.163 505 HD2 HIS 63 HD2 HIS 63 15.363 7.565 -28.581 506 HE1 HIS 63 HE1 HIS 63 18.366 7.436 -31.569 507 H ASP 64 H ASP 64 13.168 6.535 -33.445 508 HA ASP 64 HA ASP 64 10.966 4.649 -33.906 509 1HB ASP 64 1HB ASP 64 10.416 5.860 -35.853 510 2HB ASP 64 2HB ASP 64 10.791 7.090 -34.654 511 H LYS 65 H LYS 65 11.082 3.184 -35.624 512 HA LYS 65 HA LYS 65 13.654 2.819 -36.953 513 1HB LYS 65 1HB LYS 65 13.880 1.295 -35.152 514 2HB LYS 65 2HB LYS 65 12.214 0.758 -35.293 515 1HG LYS 65 1HG LYS 65 12.672 -0.556 -37.165 516 2HG LYS 65 2HG LYS 65 14.186 0.286 -37.501 517 1HD LYS 65 1HD LYS 65 14.470 -1.997 -36.537 518 2HD LYS 65 2HD LYS 65 15.248 -0.715 -35.612 519 1HE LYS 65 1HE LYS 65 14.217 -2.112 -34.021 520 2HE LYS 65 2HE LYS 65 13.182 -0.692 -34.152 521 1HZ LYS 65 1HZ LYS 65 11.941 -2.782 -34.095 522 2HZ LYS 65 2HZ LYS 65 12.694 -3.279 -35.527 523 3HZ LYS 65 3HZ LYS 65 11.666 -1.934 -35.534 524 H LEU 66 H LEU 66 12.867 3.447 -38.874 525 HA LEU 66 HA LEU 66 11.927 3.262 -40.918 526 1HB LEU 66 1HB LEU 66 11.364 0.498 -39.902 527 2HB LEU 66 2HB LEU 66 10.744 1.020 -41.453 528 HG LEU 66 HG LEU 66 13.126 1.517 -42.132 529 1HD1 LEU 66 1HD1 LEU 66 14.099 1.667 -39.895 530 2HD1 LEU 66 2HD1 LEU 66 14.911 0.446 -40.874 531 3HD1 LEU 66 3HD1 LEU 66 13.759 -0.046 -39.634 532 1HD2 LEU 66 1HD2 LEU 66 12.433 -1.320 -41.391 533 2HD2 LEU 66 2HD2 LEU 66 13.671 -0.832 -42.547 534 3HD2 LEU 66 3HD2 LEU 66 11.975 -0.484 -42.877 535 H ASN 67 H ASN 67 9.539 1.384 -39.073 536 HA ASN 67 HA ASN 67 7.586 3.518 -39.614 537 1HB ASN 67 1HB ASN 67 7.298 1.559 -41.145 538 2HB ASN 67 2HB ASN 67 7.017 0.547 -39.734 539 1HD2 ASN 67 2HD2 ASN 67 5.870 3.852 -40.145 540 2HD2 ASN 67 1HD2 ASN 67 4.186 3.451 -40.198 541 H GLU 68 H GLU 68 9.103 1.531 -37.355 542 HA GLU 68 HA GLU 68 6.870 1.649 -35.468 543 1HB GLU 68 1HB GLU 68 9.518 0.223 -35.286 544 2HB GLU 68 2HB GLU 68 8.272 0.183 -34.049 545 1HG GLU 68 1HG GLU 68 6.760 -0.939 -35.514 546 2HG GLU 68 2HG GLU 68 7.872 -0.751 -36.866 547 H TYR 69 H TYR 69 6.807 3.619 -34.638 548 HA TYR 69 HA TYR 69 9.210 4.732 -33.409 549 1HB TYR 69 1HB TYR 69 7.511 6.600 -32.746 550 2HB TYR 69 2HB TYR 69 8.084 6.499 -34.403 551 HD1 TYR 69 HD1 TYR 69 6.577 5.484 -36.150 552 HD2 TYR 69 HD2 TYR 69 5.202 6.418 -32.234 553 HE1 TYR 69 HE1 TYR 69 4.256 5.434 -36.961 554 HE2 TYR 69 HE2 TYR 69 2.877 6.357 -33.031 555 HH TYR 69 HH TYR 69 1.710 6.726 -35.321 556 H TYR 70 H TYR 70 9.730 3.918 -31.506 557 HA TYR 70 HA TYR 70 7.542 3.055 -29.735 558 1HB TYR 70 1HB TYR 70 9.014 1.161 -29.049 559 2HB TYR 70 2HB TYR 70 8.508 1.089 -30.732 560 HD1 TYR 70 HD1 TYR 70 10.106 1.113 -32.492 561 HD2 TYR 70 HD2 TYR 70 11.347 1.876 -28.499 562 HE1 TYR 70 HE1 TYR 70 12.454 0.907 -33.189 563 HE2 TYR 70 HE2 TYR 70 13.697 1.677 -29.184 564 HH TYR 70 HH TYR 70 14.965 0.488 -31.064 565 H VAL 71 H VAL 71 8.529 2.487 -27.488 566 HA VAL 71 HA VAL 71 10.052 4.855 -26.645 567 HB VAL 71 HB VAL 71 8.230 3.117 -24.966 568 1HG1 VAL 71 1HG1 VAL 71 9.968 4.178 -23.658 569 2HG1 VAL 71 2HG1 VAL 71 8.419 4.954 -23.328 570 3HG1 VAL 71 3HG1 VAL 71 9.596 5.743 -24.380 571 1HG2 VAL 71 1HG2 VAL 71 6.952 4.333 -26.651 572 2HG2 VAL 71 2HG2 VAL 71 7.720 5.843 -26.161 573 3HG2 VAL 71 3HG2 VAL 71 6.652 4.995 -25.043 574 H LYS 72 H LYS 72 11.991 4.585 -25.783 575 HA LYS 72 HA LYS 72 12.989 1.878 -25.325 576 1HB LYS 72 1HB LYS 72 14.479 4.495 -25.234 577 2HB LYS 72 2HB LYS 72 15.175 2.881 -25.270 578 1HG LYS 72 1HG LYS 72 14.121 2.567 -27.512 579 2HG LYS 72 2HG LYS 72 13.675 4.276 -27.464 580 1HD LYS 72 1HD LYS 72 15.700 4.219 -28.630 581 2HD LYS 72 2HD LYS 72 16.131 4.728 -27.000 582 1HE LYS 72 1HE LYS 72 17.724 3.118 -27.460 583 2HE LYS 72 2HE LYS 72 16.518 2.220 -26.556 584 1HZ LYS 72 1HZ LYS 72 17.429 1.167 -28.663 585 2HZ LYS 72 2HZ LYS 72 16.495 2.293 -29.514 586 3HZ LYS 72 3HZ LYS 72 15.745 1.173 -28.484 587 H VAL 73 H VAL 73 12.980 1.051 -23.346 588 HA VAL 73 HA VAL 73 12.607 2.728 -21.020 589 HB VAL 73 HB VAL 73 13.066 -0.260 -21.218 590 1HG1 VAL 73 1HG1 VAL 73 12.109 1.409 -18.897 591 2HG1 VAL 73 2HG1 VAL 73 13.668 0.592 -19.025 592 3HG1 VAL 73 3HG1 VAL 73 12.182 -0.354 -18.939 593 1HG2 VAL 73 1HG2 VAL 73 10.667 -0.486 -20.904 594 2HG2 VAL 73 2HG2 VAL 73 11.007 0.481 -22.338 595 3HG2 VAL 73 3HG2 VAL 73 10.490 1.268 -20.848 596 H ILE 74 H ILE 74 14.268 3.727 -20.111 597 HA ILE 74 HA ILE 74 16.931 2.484 -20.332 598 HB ILE 74 HB ILE 74 16.274 5.430 -20.496 599 1HG1 ILE 74 1HG1 ILE 74 17.342 3.539 -22.606 600 2HG1 ILE 74 2HG1 ILE 74 15.696 4.157 -22.535 601 1HG2 ILE 74 1HG2 ILE 74 18.942 4.037 -20.714 602 2HG2 ILE 74 2HG2 ILE 74 18.399 5.027 -19.359 603 3HG2 ILE 74 3HG2 ILE 74 18.651 5.763 -20.942 604 1HD1 ILE 74 1HD1 ILE 74 17.008 5.356 -24.177 605 2HD1 ILE 74 2HD1 ILE 74 18.190 5.791 -22.942 606 3HD1 ILE 74 3HD1 ILE 74 16.546 6.426 -22.853 607 H GLU 75 H GLU 75 17.787 2.026 -18.453 608 HA GLU 75 HA GLU 75 16.766 3.135 -15.994 609 1HB GLU 75 1HB GLU 75 17.617 0.733 -16.408 610 2HB GLU 75 2HB GLU 75 19.230 1.416 -16.324 611 1HG GLU 75 1HG GLU 75 17.212 1.690 -14.116 612 2HG GLU 75 2HG GLU 75 18.368 0.363 -14.221 613 H ASP 76 H ASP 76 17.657 4.853 -14.897 614 HA ASP 76 HA ASP 76 19.333 6.528 -16.508 615 1HB ASP 76 1HB ASP 76 17.449 7.425 -15.222 616 2HB ASP 76 2HB ASP 76 18.251 6.969 -13.723 617 H SER 77 H SER 77 19.825 4.636 -13.580 618 HA SER 77 HA SER 77 22.199 5.910 -12.721 619 1HB SER 77 1HB SER 77 21.610 2.995 -12.247 620 2HB SER 77 2HB SER 77 22.396 4.152 -11.171 621 HG SER 77 HG SER 77 19.660 3.856 -11.803 622 H THR 78 H THR 78 21.691 2.912 -14.569 623 HA THR 78 HA THR 78 24.491 2.703 -15.230 624 HB THR 78 HB THR 78 23.639 0.852 -16.779 625 HG1 THR 78 HG1 THR 78 21.236 1.283 -15.277 626 1HG2 THR 78 1HG2 THR 78 23.248 -0.683 -14.895 627 2HG2 THR 78 2HG2 THR 78 23.069 0.702 -13.818 628 3HG2 THR 78 3HG2 THR 78 24.617 0.388 -14.602 629 H ASN 79 H ASN 79 21.641 4.065 -16.647 630 HA ASN 79 HA ASN 79 21.392 5.622 -18.273 631 1HB ASN 79 1HB ASN 79 23.623 6.452 -17.426 632 2HB ASN 79 2HB ASN 79 24.385 5.505 -18.696 633 1HD2 ASN 79 2HD2 ASN 79 22.315 8.222 -17.999 634 2HD2 ASN 79 1HD2 ASN 79 22.521 9.018 -19.520 635 H GLU 80 H GLU 80 21.758 2.598 -18.713 636 HA GLU 80 HA GLU 80 22.165 2.713 -21.625 637 1HB GLU 80 1HB GLU 80 22.725 0.351 -21.545 638 2HB GLU 80 2HB GLU 80 23.752 1.255 -20.440 639 1HG GLU 80 1HG GLU 80 22.265 0.564 -18.582 640 2HG GLU 80 2HG GLU 80 21.380 -0.449 -19.724 641 H VAL 81 H VAL 81 20.808 1.255 -22.923 642 HA VAL 81 HA VAL 81 18.049 1.462 -22.107 643 HB VAL 81 HB VAL 81 19.183 0.151 -24.589 644 1HG1 VAL 81 1HG1 VAL 81 16.943 0.534 -25.518 645 2HG1 VAL 81 2HG1 VAL 81 16.415 1.181 -23.965 646 3HG1 VAL 81 3HG1 VAL 81 16.890 -0.513 -24.100 647 1HG2 VAL 81 1HG2 VAL 81 19.901 2.469 -24.474 648 2HG2 VAL 81 2HG2 VAL 81 18.246 2.988 -24.161 649 3HG2 VAL 81 3HG2 VAL 81 18.666 2.279 -25.720 650 H ILE 82 H ILE 82 17.473 0.067 -20.563 651 HA ILE 82 HA ILE 82 18.615 -2.583 -20.447 652 HB ILE 82 HB ILE 82 17.338 -2.848 -18.362 653 1HG1 ILE 82 1HG1 ILE 82 16.415 0.003 -18.780 654 2HG1 ILE 82 2HG1 ILE 82 15.408 -1.396 -19.135 655 1HG2 ILE 82 1HG2 ILE 82 19.549 -1.859 -18.287 656 2HG2 ILE 82 2HG2 ILE 82 18.509 -1.112 -17.074 657 3HG2 ILE 82 3HG2 ILE 82 18.867 -0.257 -18.575 658 1HD1 ILE 82 1HD1 ILE 82 15.487 -2.070 -16.809 659 2HD1 ILE 82 2HD1 ILE 82 14.901 -0.413 -16.955 660 3HD1 ILE 82 3HD1 ILE 82 16.558 -0.720 -16.440 661 H ARG 83 H ARG 83 15.796 -1.151 -21.742 662 HA ARG 83 HA ARG 83 14.765 -3.749 -22.499 663 1HB ARG 83 1HB ARG 83 13.822 -2.775 -20.150 664 2HB ARG 83 2HB ARG 83 12.707 -2.009 -21.272 665 1HG ARG 83 1HG ARG 83 11.679 -4.008 -20.591 666 2HG ARG 83 2HG ARG 83 12.280 -4.304 -22.225 667 1HD ARG 83 1HD ARG 83 14.212 -5.466 -21.323 668 2HD ARG 83 2HD ARG 83 13.692 -5.104 -19.681 669 HE ARG 83 HE ARG 83 11.603 -6.450 -20.429 670 1HH1 ARG 83 1HH1 ARG 83 14.945 -7.152 -21.235 671 2HH1 ARG 83 2HH1 ARG 83 14.664 -8.855 -21.439 672 1HH2 ARG 83 1HH2 ARG 83 11.247 -8.682 -20.662 673 2HH2 ARG 83 2HH2 ARG 83 12.557 -9.726 -21.121 674 H GLU 84 H GLU 84 13.707 -3.627 -24.438 675 HA GLU 84 HA GLU 84 12.954 -0.949 -25.379 676 1HB GLU 84 1HB GLU 84 14.927 -1.852 -26.582 677 2HB GLU 84 2HB GLU 84 13.966 -3.244 -27.069 678 1HG GLU 84 1HG GLU 84 12.525 -1.889 -28.381 679 2HG GLU 84 2HG GLU 84 13.241 -0.416 -27.734 680 H ILE 85 H ILE 85 10.860 -0.726 -25.779 681 HA ILE 85 HA ILE 85 9.273 -3.174 -26.153 682 HB ILE 85 HB ILE 85 8.459 -0.726 -24.573 683 1HG1 ILE 85 1HG1 ILE 85 9.118 -3.530 -23.638 684 2HG1 ILE 85 2HG1 ILE 85 10.149 -2.119 -23.424 685 1HG2 ILE 85 1HG2 ILE 85 6.485 -2.037 -23.964 686 2HG2 ILE 85 2HG2 ILE 85 7.019 -3.337 -25.030 687 3HG2 ILE 85 3HG2 ILE 85 6.572 -1.768 -25.703 688 1HD1 ILE 85 1HD1 ILE 85 8.946 -2.660 -21.385 689 2HD1 ILE 85 2HD1 ILE 85 7.408 -2.495 -22.234 690 3HD1 ILE 85 3HD1 ILE 85 8.451 -1.089 -22.014 691 HA PRO 86 HA PRO 86 8.087 -0.896 -29.857 692 1HB PRO 86 1HB PRO 86 6.655 -2.920 -30.945 693 2HB PRO 86 2HB PRO 86 8.423 -2.894 -30.981 694 1HG PRO 86 1HG PRO 86 6.594 -4.325 -29.083 695 2HG PRO 86 2HG PRO 86 8.016 -4.955 -29.930 696 1HD PRO 86 1HD PRO 86 8.137 -4.162 -27.366 697 2HD PRO 86 2HD PRO 86 9.494 -3.909 -28.482 698 HA PRO 87 HA PRO 87 4.098 0.717 -28.868 699 1HB PRO 87 1HB PRO 87 2.845 0.609 -31.353 700 2HB PRO 87 2HB PRO 87 3.887 1.913 -30.781 701 1HG PRO 87 1HG PRO 87 4.543 -0.393 -32.560 702 2HG PRO 87 2HG PRO 87 5.107 1.286 -32.640 703 1HD PRO 87 1HD PRO 87 6.672 -0.667 -31.690 704 2HD PRO 87 2HD PRO 87 6.697 0.960 -30.980 705 H LYS 88 H LYS 88 4.157 -2.248 -30.763 706 HA LYS 88 HA LYS 88 1.442 -2.951 -30.212 707 1HB LYS 88 1HB LYS 88 2.089 -5.180 -31.163 708 2HB LYS 88 2HB LYS 88 2.415 -3.818 -32.223 709 1HG LYS 88 1HG LYS 88 4.661 -4.587 -30.500 710 2HG LYS 88 2HG LYS 88 4.167 -5.814 -31.666 711 1HD LYS 88 1HD LYS 88 4.666 -2.950 -32.446 712 2HD LYS 88 2HD LYS 88 5.951 -4.160 -32.423 713 1HE LYS 88 1HE LYS 88 4.716 -5.519 -34.025 714 2HE LYS 88 2HE LYS 88 3.397 -4.351 -34.022 715 1HZ LYS 88 1HZ LYS 88 6.180 -3.730 -34.877 716 2HZ LYS 88 2HZ LYS 88 4.825 -2.713 -34.994 717 3HZ LYS 88 3HZ LYS 88 4.911 -4.118 -35.938 718 H ARG 89 H ARG 89 4.101 -2.893 -28.243 719 HA ARG 89 HA ARG 89 2.991 -5.010 -26.508 720 1HB ARG 89 1HB ARG 89 5.883 -4.214 -26.871 721 2HB ARG 89 2HB ARG 89 5.303 -5.322 -25.639 722 1HG ARG 89 1HG ARG 89 4.941 -5.787 -28.585 723 2HG ARG 89 2HG ARG 89 6.317 -6.387 -27.657 724 1HD ARG 89 1HD ARG 89 4.683 -7.529 -26.143 725 2HD ARG 89 2HD ARG 89 3.409 -7.073 -27.273 726 HE ARG 89 HE ARG 89 4.494 -8.456 -28.943 727 1HH1 ARG 89 1HH1 ARG 89 5.527 -8.868 -25.625 728 2HH1 ARG 89 2HH1 ARG 89 6.208 -10.449 -25.882 729 1HH2 ARG 89 1HH2 ARG 89 5.423 -10.512 -29.313 730 2HH2 ARG 89 2HH2 ARG 89 6.164 -11.378 -27.994 731 H TRP 90 H TRP 90 3.610 -1.760 -26.898 732 HA TRP 90 HA TRP 90 4.504 -1.051 -24.300 733 1HB TRP 90 1HB TRP 90 4.910 0.386 -26.236 734 2HB TRP 90 2HB TRP 90 3.180 0.623 -26.446 735 HD1 TRP 90 HD1 TRP 90 2.169 2.667 -25.285 736 HE1 TRP 90 HE1 TRP 90 2.958 4.355 -23.517 737 HE3 TRP 90 HE3 TRP 90 6.598 0.462 -23.984 738 HZ2 TRP 90 HZ2 TRP 90 5.168 4.707 -21.792 739 HZ3 TRP 90 HZ3 TRP 90 7.986 1.542 -22.265 740 HH2 TRP 90 HH2 TRP 90 7.286 3.619 -21.194 741 H LEU 91 H LEU 91 1.380 -1.494 -25.773 742 HA LEU 91 HA LEU 91 -0.228 -0.189 -23.891 743 1HB LEU 91 1HB LEU 91 -0.764 -2.603 -25.619 744 2HB LEU 91 2HB LEU 91 -2.001 -1.789 -24.677 745 HG LEU 91 HG LEU 91 -0.374 -0.473 -26.852 746 1HD1 LEU 91 1HD1 LEU 91 -3.207 -1.503 -26.910 747 2HD1 LEU 91 2HD1 LEU 91 -1.835 -2.202 -27.769 748 3HD1 LEU 91 3HD1 LEU 91 -2.409 -0.589 -28.192 749 1HD2 LEU 91 1HD2 LEU 91 -2.009 1.321 -26.648 750 2HD2 LEU 91 2HD2 LEU 91 -1.178 1.056 -25.116 751 3HD2 LEU 91 3HD2 LEU 91 -2.818 0.449 -25.344 752 H ASP 92 H ASP 92 1.021 -3.494 -23.997 753 HA ASP 92 HA ASP 92 -0.313 -4.449 -21.709 754 1HB ASP 92 1HB ASP 92 2.376 -5.373 -22.743 755 2HB ASP 92 2HB ASP 92 1.220 -6.306 -21.795 756 H PHE 93 H PHE 93 2.794 -2.854 -22.170 757 HA PHE 93 HA PHE 93 3.681 -3.121 -19.485 758 1HB PHE 93 1HB PHE 93 5.230 -2.650 -21.340 759 2HB PHE 93 2HB PHE 93 4.477 -1.076 -21.572 760 HD1 PHE 93 HD1 PHE 93 6.360 -3.114 -19.108 761 HD2 PHE 93 HD2 PHE 93 5.216 0.785 -20.381 762 HE1 PHE 93 HE1 PHE 93 7.929 -2.130 -17.489 763 HE2 PHE 93 HE2 PHE 93 6.785 1.775 -18.766 764 HZ PHE 93 HZ PHE 93 8.143 0.319 -17.317 765 H TYR 94 H TYR 94 2.098 -0.478 -21.256 766 HA TYR 94 HA TYR 94 2.007 1.345 -19.122 767 1HB TYR 94 1HB TYR 94 1.581 1.969 -21.483 768 2HB TYR 94 2HB TYR 94 0.057 1.091 -21.425 769 HD1 TYR 94 HD1 TYR 94 -1.888 2.232 -20.854 770 HD2 TYR 94 HD2 TYR 94 1.868 3.876 -19.721 771 HE1 TYR 94 HE1 TYR 94 -3.025 4.255 -20.043 772 HE2 TYR 94 HE2 TYR 94 0.741 5.907 -18.907 773 HH TYR 94 HH TYR 94 -1.311 7.123 -19.163 774 H ALA 95 H ALA 95 -0.244 -1.185 -20.129 775 HA ALA 95 HA ALA 95 -2.284 -0.640 -18.271 776 1HB ALA 95 1HB ALA 95 -3.044 -2.909 -18.687 777 2HB ALA 95 2HB ALA 95 -1.498 -3.310 -19.434 778 3HB ALA 95 3HB ALA 95 -2.568 -2.134 -20.199 779 H ALA 96 H ALA 96 0.618 -2.656 -18.041 780 HA ALA 96 HA ALA 96 0.077 -3.711 -15.477 781 1HB ALA 96 1HB ALA 96 2.733 -3.277 -16.838 782 2HB ALA 96 2HB ALA 96 1.717 -4.710 -16.980 783 3HB ALA 96 3HB ALA 96 2.452 -4.302 -15.430 784 H MET 97 H MET 97 1.671 -0.781 -16.584 785 HA MET 97 HA MET 97 2.658 -0.029 -14.017 786 1HB MET 97 1HB MET 97 2.336 1.491 -16.601 787 2HB MET 97 2HB MET 97 3.001 2.223 -15.147 788 1HG MET 97 1HG MET 97 4.148 -0.290 -16.291 789 2HG MET 97 2HG MET 97 4.619 1.294 -16.895 790 1HE MET 97 1HE MET 97 6.565 2.884 -14.023 791 2HE MET 97 2HE MET 97 4.943 3.223 -14.633 792 3HE MET 97 3HE MET 97 6.254 2.869 -15.758 793 H THR 98 H THR 98 -0.254 0.852 -15.874 794 HA THR 98 HA THR 98 -1.007 2.932 -14.095 795 HB THR 98 HB THR 98 -1.843 2.687 -16.452 796 HG1 THR 98 HG1 THR 98 -3.097 4.133 -15.545 797 1HG2 THR 98 1HG2 THR 98 -3.798 1.285 -16.876 798 2HG2 THR 98 2HG2 THR 98 -3.693 0.631 -15.243 799 3HG2 THR 98 3HG2 THR 98 -2.410 0.302 -16.406 800 H GLU 99 H GLU 99 -1.682 -0.533 -14.118 801 HA GLU 99 HA GLU 99 -3.489 -0.371 -11.909 802 1HB GLU 99 1HB GLU 99 -1.974 -2.699 -13.085 803 2HB GLU 99 2HB GLU 99 -3.076 -2.855 -11.724 804 1HG GLU 99 1HG GLU 99 -4.792 -1.733 -13.280 805 2HG GLU 99 2HG GLU 99 -3.682 -2.189 -14.572 806 H PHE 100 H PHE 100 -0.047 -0.558 -12.268 807 HA PHE 100 HA PHE 100 0.421 -1.355 -9.535 808 1HB PHE 100 1HB PHE 100 1.943 -2.019 -11.376 809 2HB PHE 100 2HB PHE 100 2.385 -0.330 -11.592 810 HD1 PHE 100 HD1 PHE 100 4.159 0.567 -10.403 811 HD2 PHE 100 HD2 PHE 100 2.368 -3.054 -9.071 812 HE1 PHE 100 HE1 PHE 100 5.941 0.307 -8.730 813 HE2 PHE 100 HE2 PHE 100 4.149 -3.322 -7.394 814 HZ PHE 100 HZ PHE 100 5.937 -1.641 -7.221 815 H LEU 101 H LEU 101 1.140 1.614 -11.417 816 HA LEU 101 HA LEU 101 1.997 2.995 -9.055 817 1HB LEU 101 1HB LEU 101 1.507 3.973 -11.868 818 2HB LEU 101 2HB LEU 101 2.065 5.010 -10.575 819 HG LEU 101 HG LEU 101 3.965 4.441 -11.851 820 1HD1 LEU 101 1HD1 LEU 101 5.358 3.176 -10.310 821 2HD1 LEU 101 2HD1 LEU 101 3.919 2.657 -9.434 822 3HD1 LEU 101 3HD1 LEU 101 4.361 4.365 -9.468 823 1HD2 LEU 101 1HD2 LEU 101 3.115 1.567 -11.619 824 2HD2 LEU 101 2HD2 LEU 101 4.625 2.136 -12.335 825 3HD2 LEU 101 3HD2 LEU 101 3.080 2.559 -13.075 826 H GLY 102 H GLY 102 -1.001 2.755 -10.833 827 1HA GLY 102 1HA GLY 102 -2.215 5.058 -9.652 828 2HA GLY 102 2HA GLY 102 -3.058 3.774 -10.491 829 H LEU 103 H LEU 103 -1.458 1.995 -8.430 830 HA LEU 103 HA LEU 103 -3.483 2.113 -6.348 831 1HB LEU 103 1HB LEU 103 -1.131 0.289 -6.797 832 2HB LEU 103 2HB LEU 103 -2.108 0.219 -5.344 833 HG LEU 103 HG LEU 103 -3.073 -0.293 -8.162 834 1HD1 LEU 103 1HD1 LEU 103 -3.384 -2.586 -7.372 835 2HD1 LEU 103 2HD1 LEU 103 -2.689 -2.146 -5.812 836 3HD1 LEU 103 3HD1 LEU 103 -1.694 -2.094 -7.268 837 1HD2 LEU 103 1HD2 LEU 103 -4.559 -0.411 -5.536 838 2HD2 LEU 103 2HD2 LEU 103 -5.189 -0.928 -7.100 839 3HD2 LEU 103 3HD2 LEU 103 -4.809 0.771 -6.821 840 H PHE 104 H PHE 104 -0.552 3.584 -6.977 841 HA PHE 104 HA PHE 104 0.074 3.971 -4.140 842 1HB PHE 104 1HB PHE 104 1.670 4.394 -6.658 843 2HB PHE 104 2HB PHE 104 2.191 5.037 -5.108 844 HD1 PHE 104 HD1 PHE 104 2.337 2.277 -7.290 845 HD2 PHE 104 HD2 PHE 104 2.324 3.303 -3.157 846 HE1 PHE 104 HE1 PHE 104 3.375 0.112 -6.747 847 HE2 PHE 104 HE2 PHE 104 3.363 1.142 -2.612 848 HZ PHE 104 HZ PHE 104 3.888 -0.457 -4.408 849 H VAL 105 H VAL 105 -1.582 5.454 -6.627 850 HA VAL 105 HA VAL 105 -0.975 8.178 -6.102 851 HB VAL 105 HB VAL 105 -2.958 8.727 -7.376 852 1HG1 VAL 105 1HG1 VAL 105 -2.513 7.512 -9.458 853 2HG1 VAL 105 2HG1 VAL 105 -1.526 6.363 -8.554 854 3HG1 VAL 105 3HG1 VAL 105 -1.037 8.054 -8.660 855 1HG2 VAL 105 1HG2 VAL 105 -4.523 7.139 -6.408 856 2HG2 VAL 105 2HG2 VAL 105 -3.689 5.811 -7.215 857 3HG2 VAL 105 3HG2 VAL 105 -4.531 7.033 -8.168 858 H ASP 106 H ASP 106 -2.079 9.663 -4.785 859 HA ASP 106 HA ASP 106 -3.254 8.353 -2.464 860 1HB ASP 106 1HB ASP 106 -1.369 10.048 -2.297 861 2HB ASP 106 2HB ASP 106 -2.565 11.276 -2.705 862 H GLU 107 H GLU 107 -5.212 7.887 -3.669 863 HA GLU 107 HA GLU 107 -7.451 8.100 -3.876 864 1HB GLU 107 1HB GLU 107 -7.330 8.933 -1.571 865 2HB GLU 107 2HB GLU 107 -7.082 10.566 -2.169 866 1HG GLU 107 1HG GLU 107 -9.348 10.397 -1.520 867 2HG GLU 107 2HG GLU 107 -9.322 10.408 -3.280 868 H LYS 108 H LYS 108 -6.535 11.561 -3.888 869 HA LYS 108 HA LYS 108 -8.567 12.272 -5.670 870 1HB LYS 108 1HB LYS 108 -5.998 13.685 -4.966 871 2HB LYS 108 2HB LYS 108 -7.260 14.407 -5.953 872 1HG LYS 108 1HG LYS 108 -7.606 13.455 -3.117 873 2HG LYS 108 2HG LYS 108 -7.366 15.129 -3.616 874 1HD LYS 108 1HD LYS 108 -9.684 13.355 -4.386 875 2HD LYS 108 2HD LYS 108 -9.726 14.677 -3.216 876 1HE LYS 108 1HE LYS 108 -9.165 16.262 -4.991 877 2HE LYS 108 2HE LYS 108 -9.108 14.941 -6.158 878 1HZ LYS 108 1HZ LYS 108 -11.476 15.971 -4.697 879 2HZ LYS 108 2HZ LYS 108 -11.484 14.503 -5.551 880 3HZ LYS 108 3HZ LYS 108 -11.203 15.959 -6.372 881 H LYS 109 H LYS 109 -5.306 11.208 -6.331 882 HA LYS 109 HA LYS 109 -5.447 12.071 -9.096 883 1HB LYS 109 1HB LYS 109 -3.328 10.570 -7.556 884 2HB LYS 109 2HB LYS 109 -3.182 11.010 -9.253 885 1HG LYS 109 1HG LYS 109 -3.451 12.911 -6.929 886 2HG LYS 109 2HG LYS 109 -1.994 12.595 -7.872 887 1HD LYS 109 1HD LYS 109 -3.071 13.473 -9.870 888 2HD LYS 109 2HD LYS 109 -4.559 13.746 -8.961 889 1HE LYS 109 1HE LYS 109 -3.315 15.306 -7.492 890 2HE LYS 109 2HE LYS 109 -1.893 15.084 -8.512 891 1HZ LYS 109 1HZ LYS 109 -3.100 17.090 -9.103 892 2HZ LYS 109 2HZ LYS 109 -4.503 16.191 -9.401 893 3HZ LYS 109 3HZ LYS 109 -3.138 15.977 -10.386 894 H LEU 110 H LEU 110 -7.142 9.838 -7.792 895 HA LEU 110 HA LEU 110 -6.372 7.445 -9.127 896 1HB LEU 110 1HB LEU 110 -8.159 6.448 -8.087 897 2HB LEU 110 2HB LEU 110 -7.880 7.805 -7.026 898 HG LEU 110 HG LEU 110 -10.024 7.704 -9.155 899 1HD1 LEU 110 1HD1 LEU 110 -11.572 7.431 -7.301 900 2HD1 LEU 110 2HD1 LEU 110 -10.224 7.395 -6.163 901 3HD1 LEU 110 3HD1 LEU 110 -10.413 6.103 -7.351 902 1HD2 LEU 110 1HD2 LEU 110 -9.509 9.701 -6.947 903 2HD2 LEU 110 2HD2 LEU 110 -10.926 9.677 -7.995 904 3HD2 LEU 110 3HD2 LEU 110 -9.333 9.988 -8.677 905 H GLU 111 H GLU 111 -8.203 10.203 -9.992 906 HA GLU 111 HA GLU 111 -9.067 10.981 -11.916 907 1HB GLU 111 1HB GLU 111 -7.055 10.053 -12.994 908 2HB GLU 111 2HB GLU 111 -7.891 8.517 -13.206 909 1HG GLU 111 1HG GLU 111 -9.629 9.789 -14.506 910 2HG GLU 111 2HG GLU 111 -8.521 11.158 -14.485 911 H HIS 112 H HIS 112 -9.531 7.488 -11.623 912 HA HIS 112 HA HIS 112 -11.937 7.517 -13.171 913 1HB HIS 112 1HB HIS 112 -10.662 5.365 -11.478 914 2HB HIS 112 2HB HIS 112 -12.092 5.118 -12.466 915 HD1 HIS 112 HD1 HIS 112 -11.739 4.559 -14.869 916 HD2 HIS 112 HD2 HIS 112 -8.306 5.982 -13.012 917 HE1 HIS 112 HE1 HIS 112 -9.868 4.192 -16.527 918 H HIS 113 H HIS 113 -13.988 6.656 -12.360 919 HA HIS 113 HA HIS 113 -14.723 7.930 -9.887 920 1HB HIS 113 1HB HIS 113 -16.210 7.879 -11.922 921 2HB HIS 113 2HB HIS 113 -16.428 6.154 -11.644 922 HD1 HIS 113 HD1 HIS 113 -18.039 5.447 -9.810 923 HD2 HIS 113 HD2 HIS 113 -17.463 9.561 -10.020 924 HE1 HIS 113 HE1 HIS 113 -19.762 6.455 -8.280 925 H HIS 114 H HIS 114 -14.091 6.957 -8.082 926 HA HIS 114 HA HIS 114 -13.742 4.119 -7.870 927 1HB HIS 114 1HB HIS 114 -12.507 5.988 -6.573 928 2HB HIS 114 2HB HIS 114 -13.924 6.013 -5.531 929 HD1 HIS 114 HD1 HIS 114 -12.611 5.168 -3.503 930 HD2 HIS 114 HD2 HIS 114 -12.483 2.601 -6.773 931 HE1 HIS 114 HE1 HIS 114 -11.634 3.009 -2.640 932 H HIS 115 H HIS 115 -15.444 2.805 -7.822 933 HA HIS 115 HA HIS 115 -18.059 3.817 -7.341 934 1HB HIS 115 1HB HIS 115 -17.426 1.987 -8.984 935 2HB HIS 115 2HB HIS 115 -17.308 0.905 -7.601 936 HD1 HIS 115 HD1 HIS 115 -19.787 2.757 -9.703 937 HD2 HIS 115 HD2 HIS 115 -19.755 0.156 -6.463 938 HE1 HIS 115 HE1 HIS 115 -22.177 2.037 -9.390 939 H HIS 116 H HIS 116 -15.977 1.529 -5.574 940 HA HIS 116 HA HIS 116 -17.787 1.881 -3.272 941 1HB HIS 116 1HB HIS 116 -17.927 -0.376 -4.520 942 2HB HIS 116 2HB HIS 116 -16.347 -0.706 -3.817 943 HD1 HIS 116 HD1 HIS 116 -16.383 -1.782 -1.566 944 HD2 HIS 116 HD2 HIS 116 -19.947 0.184 -2.438 945 HE1 HIS 116 HE1 HIS 116 -17.943 -2.324 0.332 946 H HIS 117 H HIS 117 -16.771 2.807 -1.647 947 HA HIS 117 HA HIS 117 -13.910 2.220 -1.248 948 1HB HIS 117 1HB HIS 117 -14.385 4.610 -1.799 949 2HB HIS 117 2HB HIS 117 -15.397 4.706 -0.363 950 HD1 HIS 117 HD1 HIS 117 -14.205 4.923 1.913 951 HD2 HIS 117 HD2 HIS 117 -11.603 4.473 -1.298 952 HE1 HIS 117 HE1 HIS 117 -11.916 5.427 2.821 Start of MODEL 3 1 HA LEU 1 HA LEU 1 5.272 0.648 0.472 2 1HB LEU 1 1HB LEU 1 3.125 2.726 0.038 3 2HB LEU 1 2HB LEU 1 3.858 1.755 -1.223 4 HG LEU 1 HG LEU 1 2.245 0.634 1.070 5 1HD1 LEU 1 1HD1 LEU 1 0.846 1.969 -0.404 6 2HD1 LEU 1 2HD1 LEU 1 0.501 0.250 -0.591 7 3HD1 LEU 1 3HD1 LEU 1 1.468 1.092 -1.802 8 1HD2 LEU 1 1HD2 LEU 1 3.876 -0.941 0.207 9 2HD2 LEU 1 2HD2 LEU 1 3.328 -0.634 -1.441 10 3HD2 LEU 1 3HD2 LEU 1 2.250 -1.414 -0.285 11 H ASN 2 H ASN 2 4.459 4.110 0.698 12 HA ASN 2 HA ASN 2 5.578 5.986 0.145 13 1HB ASN 2 1HB ASN 2 6.693 5.171 2.265 14 2HB ASN 2 2HB ASN 2 7.994 4.563 1.246 15 1HD2 ASN 2 2HD2 ASN 2 9.377 5.982 0.283 16 2HD2 ASN 2 1HD2 ASN 2 9.424 7.658 0.693 17 H ILE 3 H ILE 3 5.463 6.011 -2.062 18 HA ILE 3 HA ILE 3 6.813 4.396 -3.858 19 HB ILE 3 HB ILE 3 4.889 5.758 -4.479 20 1HG1 ILE 3 1HG1 ILE 3 7.335 6.425 -6.131 21 2HG1 ILE 3 2HG1 ILE 3 6.416 4.928 -6.233 22 1HG2 ILE 3 1HG2 ILE 3 5.419 7.782 -3.232 23 2HG2 ILE 3 2HG2 ILE 3 5.117 8.153 -4.930 24 3HG2 ILE 3 3HG2 ILE 3 6.770 8.107 -4.317 25 1HD1 ILE 3 1HD1 ILE 3 4.463 6.171 -6.990 26 2HD1 ILE 3 2HD1 ILE 3 5.855 6.451 -8.039 27 3HD1 ILE 3 3HD1 ILE 3 5.374 7.676 -6.866 28 H GLU 4 H GLU 4 7.972 7.188 -2.164 29 HA GLU 4 HA GLU 4 10.009 8.100 -3.832 30 1HB GLU 4 1HB GLU 4 9.000 8.737 -1.346 31 2HB GLU 4 2HB GLU 4 10.628 8.199 -0.972 32 1HG GLU 4 1HG GLU 4 10.011 10.305 -3.027 33 2HG GLU 4 2HG GLU 4 10.341 10.659 -1.334 34 H ARG 5 H ARG 5 9.819 5.133 -2.114 35 HA ARG 5 HA ARG 5 12.704 4.697 -2.504 36 1HB ARG 5 1HB ARG 5 11.094 4.062 -0.031 37 2HB ARG 5 2HB ARG 5 12.657 3.330 -0.368 38 1HG ARG 5 1HG ARG 5 13.662 5.578 -0.433 39 2HG ARG 5 2HG ARG 5 12.096 6.263 0.005 40 1HD ARG 5 1HD ARG 5 12.117 5.006 2.089 41 2HD ARG 5 2HD ARG 5 13.657 4.272 1.643 42 HE ARG 5 HE ARG 5 13.765 7.132 1.644 43 1HH1 ARG 5 1HH1 ARG 5 13.884 4.297 3.705 44 2HH1 ARG 5 2HH1 ARG 5 14.829 5.082 4.945 45 1HH2 ARG 5 1HH2 ARG 5 15.031 8.155 3.248 46 2HH2 ARG 5 2HH2 ARG 5 15.524 7.263 4.659 47 H LEU 6 H LEU 6 10.156 3.979 -3.891 48 HA LEU 6 HA LEU 6 9.530 1.281 -3.621 49 1HB LEU 6 1HB LEU 6 8.227 2.838 -4.964 50 2HB LEU 6 2HB LEU 6 9.556 3.010 -6.095 51 HG LEU 6 HG LEU 6 9.326 0.591 -6.623 52 1HD1 LEU 6 1HD1 LEU 6 7.257 -0.550 -6.008 53 2HD1 LEU 6 2HD1 LEU 6 6.788 0.832 -5.018 54 3HD1 LEU 6 3HD1 LEU 6 8.204 -0.125 -4.582 55 1HD2 LEU 6 1HD2 LEU 6 7.330 0.885 -8.023 56 2HD2 LEU 6 2HD2 LEU 6 8.388 2.292 -8.075 57 3HD2 LEU 6 3HD2 LEU 6 6.915 2.334 -7.107 58 H THR 7 H THR 7 11.741 2.766 -5.951 59 HA THR 7 HA THR 7 13.422 1.962 -7.235 60 HB THR 7 HB THR 7 14.602 2.483 -5.198 61 HG1 THR 7 HG1 THR 7 15.475 0.102 -6.481 62 1HG2 THR 7 1HG2 THR 7 13.440 1.025 -3.612 63 2HG2 THR 7 2HG2 THR 7 15.184 0.787 -3.536 64 3HG2 THR 7 3HG2 THR 7 14.174 -0.391 -4.372 65 H THR 8 H THR 8 11.322 0.328 -7.767 66 HA THR 8 HA THR 8 12.680 -1.910 -8.823 67 HB THR 8 HB THR 8 12.441 -2.731 -6.484 68 HG1 THR 8 HG1 THR 8 12.504 -4.478 -7.684 69 1HG2 THR 8 1HG2 THR 8 10.249 -3.389 -5.649 70 2HG2 THR 8 2HG2 THR 8 9.479 -2.709 -7.081 71 3HG2 THR 8 3HG2 THR 8 10.297 -1.649 -5.932 72 H LEU 9 H LEU 9 11.619 -2.732 -10.534 73 HA LEU 9 HA LEU 9 8.741 -2.164 -10.806 74 1HB LEU 9 1HB LEU 9 10.878 -1.932 -12.927 75 2HB LEU 9 2HB LEU 9 9.160 -1.949 -13.280 76 HG LEU 9 HG LEU 9 10.612 0.142 -11.655 77 1HD1 LEU 9 1HD1 LEU 9 9.347 0.274 -14.386 78 2HD1 LEU 9 2HD1 LEU 9 11.079 0.239 -14.052 79 3HD1 LEU 9 3HD1 LEU 9 10.106 1.611 -13.522 80 1HD2 LEU 9 1HD2 LEU 9 7.711 -0.051 -12.465 81 2HD2 LEU 9 2HD2 LEU 9 8.469 1.346 -11.702 82 3HD2 LEU 9 3HD2 LEU 9 8.349 -0.180 -10.825 83 H GLN 10 H GLN 10 10.458 -4.523 -9.992 84 HA GLN 10 HA GLN 10 10.534 -6.466 -11.973 85 1HB GLN 10 1HB GLN 10 11.648 -6.669 -9.779 86 2HB GLN 10 2HB GLN 10 10.084 -6.928 -9.022 87 1HG GLN 10 1HG GLN 10 11.240 -9.028 -9.342 88 2HG GLN 10 2HG GLN 10 9.782 -8.968 -10.331 89 1HE2 GLN 10 2HE2 GLN 10 9.977 -8.793 -12.576 90 2HE2 GLN 10 1HE2 GLN 10 11.468 -9.115 -13.401 91 HA PRO 11 HA PRO 11 6.097 -7.970 -10.538 92 1HB PRO 11 1HB PRO 11 4.948 -5.384 -9.650 93 2HB PRO 11 2HB PRO 11 4.733 -7.002 -8.976 94 1HG PRO 11 1HG PRO 11 6.234 -5.193 -7.726 95 2HG PRO 11 2HG PRO 11 6.708 -6.902 -7.764 96 1HD PRO 11 1HD PRO 11 7.756 -4.608 -9.381 97 2HD PRO 11 2HD PRO 11 8.640 -5.955 -8.635 98 H VAL 12 H VAL 12 6.902 -4.897 -11.957 99 HA VAL 12 HA VAL 12 4.551 -4.635 -13.568 100 HB VAL 12 HB VAL 12 7.271 -3.356 -13.915 101 1HG1 VAL 12 1HG1 VAL 12 4.604 -2.642 -15.128 102 2HG1 VAL 12 2HG1 VAL 12 6.004 -3.293 -15.982 103 3HG1 VAL 12 3HG1 VAL 12 6.078 -1.684 -15.264 104 1HG2 VAL 12 1HG2 VAL 12 4.779 -2.334 -12.560 105 2HG2 VAL 12 2HG2 VAL 12 6.241 -1.392 -12.851 106 3HG2 VAL 12 3HG2 VAL 12 6.291 -2.787 -11.772 107 H TRP 13 H TRP 13 7.831 -5.868 -14.064 108 HA TRP 13 HA TRP 13 7.550 -6.461 -16.807 109 1HB TRP 13 1HB TRP 13 9.365 -7.663 -14.710 110 2HB TRP 13 2HB TRP 13 9.497 -7.987 -16.434 111 HD1 TRP 13 HD1 TRP 13 11.421 -6.239 -14.176 112 HE1 TRP 13 HE1 TRP 13 12.431 -4.058 -15.095 113 HE3 TRP 13 HE3 TRP 13 8.346 -5.565 -18.202 114 HZ2 TRP 13 HZ2 TRP 13 11.978 -2.284 -17.246 115 HZ3 TRP 13 HZ3 TRP 13 8.696 -3.599 -19.636 116 HH2 TRP 13 HH2 TRP 13 10.474 -1.990 -19.167 117 H ASP 14 H ASP 14 6.565 -8.141 -13.929 118 HA ASP 14 HA ASP 14 6.188 -10.698 -15.119 119 1HB ASP 14 1HB ASP 14 6.378 -10.314 -12.660 120 2HB ASP 14 2HB ASP 14 4.791 -9.552 -12.692 121 H ARG 15 H ARG 15 3.929 -8.063 -14.297 122 HA ARG 15 HA ARG 15 1.655 -9.227 -15.488 123 1HB ARG 15 1HB ARG 15 2.318 -6.320 -14.994 124 2HB ARG 15 2HB ARG 15 0.747 -6.892 -15.531 125 1HG ARG 15 1HG ARG 15 0.625 -8.267 -13.449 126 2HG ARG 15 2HG ARG 15 2.100 -7.462 -12.907 127 1HD ARG 15 1HD ARG 15 0.996 -5.300 -13.056 128 2HD ARG 15 2HD ARG 15 -0.472 -6.074 -13.654 129 HE ARG 15 HE ARG 15 0.622 -6.615 -10.962 130 1HH1 ARG 15 1HH1 ARG 15 -2.046 -5.887 -13.103 131 2HH1 ARG 15 2HH1 ARG 15 -3.230 -5.850 -11.839 132 1HH2 ARG 15 1HH2 ARG 15 -0.942 -6.580 -9.279 133 2HH2 ARG 15 2HH2 ARG 15 -2.606 -6.264 -9.671 134 H TYR 16 H TYR 16 4.252 -7.279 -16.762 135 HA TYR 16 HA TYR 16 3.231 -6.646 -19.293 136 1HB TYR 16 1HB TYR 16 5.295 -5.672 -18.385 137 2HB TYR 16 2HB TYR 16 6.077 -7.246 -18.447 138 HD1 TYR 16 HD1 TYR 16 7.333 -7.825 -20.304 139 HD2 TYR 16 HD2 TYR 16 4.458 -4.709 -20.652 140 HE1 TYR 16 HE1 TYR 16 8.162 -7.321 -22.564 141 HE2 TYR 16 HE2 TYR 16 5.274 -4.200 -22.913 142 HH TYR 16 HH TYR 16 7.329 -6.260 -24.643 143 H ASP 17 H ASP 17 4.787 -9.561 -18.076 144 HA ASP 17 HA ASP 17 4.840 -10.799 -20.670 145 1HB ASP 17 1HB ASP 17 6.513 -11.385 -18.963 146 2HB ASP 17 2HB ASP 17 5.238 -12.024 -17.932 147 H THR 18 H THR 18 2.954 -11.307 -17.672 148 HA THR 18 HA THR 18 1.453 -13.472 -18.484 149 HB THR 18 HB THR 18 -0.307 -12.653 -16.877 150 HG1 THR 18 HG1 THR 18 -0.254 -10.553 -16.571 151 1HG2 THR 18 1HG2 THR 18 2.545 -12.633 -15.883 152 2HG2 THR 18 2HG2 THR 18 1.560 -14.069 -16.160 153 3HG2 THR 18 3HG2 THR 18 1.107 -12.921 -14.901 154 H GLN 19 H GLN 19 0.741 -10.039 -19.035 155 HA GLN 19 HA GLN 19 -1.800 -10.495 -20.193 156 1HB GLN 19 1HB GLN 19 -0.929 -8.371 -19.104 157 2HB GLN 19 2HB GLN 19 -0.033 -8.114 -20.605 158 1HG GLN 19 1HG GLN 19 -2.097 -8.116 -21.854 159 2HG GLN 19 2HG GLN 19 -3.016 -8.424 -20.387 160 1HE2 GLN 19 2HE2 GLN 19 -1.296 -6.090 -22.257 161 2HE2 GLN 19 1HE2 GLN 19 -1.789 -4.699 -21.341 162 H ILE 20 H ILE 20 1.445 -10.061 -21.448 163 HA ILE 20 HA ILE 20 0.857 -9.849 -24.169 164 HB ILE 20 HB ILE 20 3.235 -10.624 -22.564 165 1HG1 ILE 20 1HG1 ILE 20 2.737 -8.610 -24.760 166 2HG1 ILE 20 2HG1 ILE 20 2.742 -8.284 -23.032 167 1HG2 ILE 20 1HG2 ILE 20 4.587 -11.117 -24.548 168 2HG2 ILE 20 2HG2 ILE 20 3.145 -11.023 -25.558 169 3HG2 ILE 20 3HG2 ILE 20 3.294 -12.303 -24.354 170 1HD1 ILE 20 1HD1 ILE 20 4.803 -7.555 -24.109 171 2HD1 ILE 20 2HD1 ILE 20 5.109 -9.209 -24.642 172 3HD1 ILE 20 3HD1 ILE 20 5.102 -8.824 -22.921 173 H HIS 21 H HIS 21 0.770 -12.582 -22.049 174 HA HIS 21 HA HIS 21 0.535 -14.446 -24.306 175 1HB HIS 21 1HB HIS 21 0.655 -14.993 -21.331 176 2HB HIS 21 2HB HIS 21 0.608 -16.218 -22.594 177 HD1 HIS 21 HD1 HIS 21 2.835 -17.148 -23.112 178 HD2 HIS 21 HD2 HIS 21 3.051 -13.192 -21.810 179 HE1 HIS 21 HE1 HIS 21 5.293 -16.599 -23.014 180 H ASN 22 H ASN 22 -1.408 -12.423 -22.724 181 HA ASN 22 HA ASN 22 -3.726 -14.228 -22.634 182 1HB ASN 22 1HB ASN 22 -3.353 -12.965 -20.585 183 2HB ASN 22 2HB ASN 22 -3.297 -11.457 -21.490 184 1HD2 ASN 22 2HD2 ASN 22 -5.334 -13.934 -20.161 185 2HD2 ASN 22 1HD2 ASN 22 -6.832 -13.109 -20.406 186 H GLN 23 H GLN 23 -3.267 -10.778 -23.395 187 HA GLN 23 HA GLN 23 -3.901 -9.476 -25.150 188 1HB GLN 23 1HB GLN 23 -3.536 -12.061 -26.673 189 2HB GLN 23 2HB GLN 23 -3.654 -10.465 -27.401 190 1HG GLN 23 1HG GLN 23 -1.509 -11.320 -25.474 191 2HG GLN 23 2HG GLN 23 -1.344 -11.314 -27.228 192 1HE2 GLN 23 2HE2 GLN 23 -1.439 -9.408 -24.351 193 2HE2 GLN 23 1HE2 GLN 23 -0.963 -7.906 -25.069 194 H LYS 24 H LYS 24 -6.097 -10.597 -23.661 195 HA LYS 24 HA LYS 24 -8.040 -11.402 -25.653 196 1HB LYS 24 1HB LYS 24 -8.180 -11.121 -22.662 197 2HB LYS 24 2HB LYS 24 -9.605 -11.458 -23.640 198 1HG LYS 24 1HG LYS 24 -8.436 -13.452 -24.551 199 2HG LYS 24 2HG LYS 24 -7.123 -13.144 -23.415 200 1HD LYS 24 1HD LYS 24 -8.588 -13.477 -21.543 201 2HD LYS 24 2HD LYS 24 -9.994 -13.581 -22.607 202 1HE LYS 24 1HE LYS 24 -7.664 -15.497 -22.629 203 2HE LYS 24 2HE LYS 24 -9.197 -15.792 -21.810 204 1HZ LYS 24 1HZ LYS 24 -8.914 -15.315 -24.731 205 2HZ LYS 24 2HZ LYS 24 -10.338 -15.728 -23.908 206 3HZ LYS 24 3HZ LYS 24 -9.068 -16.843 -24.012 207 H ASP 25 H ASP 25 -6.917 -8.759 -25.813 208 HA ASP 25 HA ASP 25 -7.633 -6.870 -26.805 209 1HB ASP 25 1HB ASP 25 -9.338 -8.331 -27.829 210 2HB ASP 25 2HB ASP 25 -10.423 -7.980 -26.489 211 H ASN 26 H ASN 26 -10.485 -7.225 -24.693 212 HA ASN 26 HA ASN 26 -9.679 -4.690 -23.425 213 1HB ASN 26 1HB ASN 26 -11.305 -4.203 -25.195 214 2HB ASN 26 2HB ASN 26 -12.428 -5.366 -24.504 215 1HD2 ASN 26 2HD2 ASN 26 -10.960 -2.246 -24.157 216 2HD2 ASN 26 1HD2 ASN 26 -12.041 -1.637 -22.947 217 H ASP 27 H ASP 27 -10.412 -4.331 -21.323 218 HA ASP 27 HA ASP 27 -11.682 -6.634 -20.010 219 1HB ASP 27 1HB ASP 27 -9.333 -6.452 -19.329 220 2HB ASP 27 2HB ASP 27 -9.596 -4.787 -18.829 221 H ASN 28 H ASN 28 -10.902 -3.509 -18.548 222 HA ASN 28 HA ASN 28 -13.690 -2.673 -18.669 223 1HB ASN 28 1HB ASN 28 -12.259 -3.291 -16.081 224 2HB ASN 28 2HB ASN 28 -13.669 -2.246 -16.155 225 1HD2 ASN 28 2HD2 ASN 28 -12.470 -5.472 -16.349 226 2HD2 ASN 28 1HD2 ASN 28 -14.010 -6.266 -16.335 227 H GLU 29 H GLU 29 -10.917 -1.799 -16.608 228 HA GLU 29 HA GLU 29 -11.535 0.986 -17.079 229 1HB GLU 29 1HB GLU 29 -9.564 -0.325 -15.221 230 2HB GLU 29 2HB GLU 29 -9.878 1.401 -15.280 231 1HG GLU 29 1HG GLU 29 -12.109 1.098 -14.499 232 2HG GLU 29 2HG GLU 29 -11.979 -0.653 -14.654 233 H VAL 30 H VAL 30 -9.375 -1.305 -18.139 234 HA VAL 30 HA VAL 30 -7.070 0.229 -18.613 235 HB VAL 30 HB VAL 30 -6.946 -2.181 -18.612 236 1HG1 VAL 30 1HG1 VAL 30 -7.853 -3.536 -20.454 237 2HG1 VAL 30 2HG1 VAL 30 -8.652 -2.101 -21.096 238 3HG1 VAL 30 3HG1 VAL 30 -9.118 -2.739 -19.518 239 1HG2 VAL 30 1HG2 VAL 30 -6.270 -1.061 -21.328 240 2HG2 VAL 30 2HG2 VAL 30 -5.630 -2.555 -20.645 241 3HG2 VAL 30 3HG2 VAL 30 -5.251 -1.007 -19.888 242 HA PRO 31 HA PRO 31 -8.604 2.581 -22.053 243 1HB PRO 31 1HB PRO 31 -6.441 4.166 -22.356 244 2HB PRO 31 2HB PRO 31 -7.590 4.375 -21.033 245 1HG PRO 31 1HG PRO 31 -4.879 3.160 -21.009 246 2HG PRO 31 2HG PRO 31 -5.705 4.102 -19.757 247 1HD PRO 31 1HD PRO 31 -5.467 1.324 -19.805 248 2HD PRO 31 2HD PRO 31 -6.629 2.244 -18.835 249 H VAL 32 H VAL 32 -8.665 0.975 -23.623 250 HA VAL 32 HA VAL 32 -6.193 0.430 -25.087 251 HB VAL 32 HB VAL 32 -8.883 -0.939 -25.343 252 1HG1 VAL 32 1HG1 VAL 32 -7.583 -1.071 -27.386 253 2HG1 VAL 32 2HG1 VAL 32 -7.627 -2.646 -26.593 254 3HG1 VAL 32 3HG1 VAL 32 -6.182 -1.642 -26.482 255 1HG2 VAL 32 1HG2 VAL 32 -7.919 -1.383 -23.158 256 2HG2 VAL 32 2HG2 VAL 32 -6.388 -1.833 -23.905 257 3HG2 VAL 32 3HG2 VAL 32 -7.820 -2.826 -24.169 258 H HIS 33 H HIS 33 -5.808 1.743 -26.642 259 HA HIS 33 HA HIS 33 -7.898 2.512 -28.499 260 1HB HIS 33 1HB HIS 33 -7.278 4.916 -28.332 261 2HB HIS 33 2HB HIS 33 -8.066 4.298 -26.896 262 HD1 HIS 33 HD1 HIS 33 -5.254 6.271 -27.930 263 HD2 HIS 33 HD2 HIS 33 -6.048 3.660 -24.789 264 HE1 HIS 33 HE1 HIS 33 -3.548 6.798 -26.157 265 H GLN 34 H GLN 34 -6.994 3.681 -30.396 266 HA GLN 34 HA GLN 34 -4.751 2.246 -31.392 267 1HB GLN 34 1HB GLN 34 -6.742 3.097 -32.719 268 2HB GLN 34 2HB GLN 34 -6.018 4.695 -32.622 269 1HG GLN 34 1HG GLN 34 -4.069 3.917 -33.829 270 2HG GLN 34 2HG GLN 34 -4.720 2.280 -33.866 271 1HE2 GLN 34 2HE2 GLN 34 -3.978 3.969 -36.092 272 2HE2 GLN 34 1HE2 GLN 34 -5.408 4.183 -37.052 273 H VAL 35 H VAL 35 -2.659 2.722 -31.213 274 HA VAL 35 HA VAL 35 -1.960 5.267 -29.957 275 HB VAL 35 HB VAL 35 -0.277 2.786 -30.333 276 1HG1 VAL 35 1HG1 VAL 35 1.053 4.825 -30.135 277 2HG1 VAL 35 2HG1 VAL 35 1.227 3.809 -28.704 278 3HG1 VAL 35 3HG1 VAL 35 0.201 5.243 -28.647 279 1HG2 VAL 35 1HG2 VAL 35 -0.657 2.409 -27.936 280 2HG2 VAL 35 2HG2 VAL 35 -2.160 2.354 -28.856 281 3HG2 VAL 35 3HG2 VAL 35 -1.762 3.783 -27.901 282 H SER 36 H SER 36 -1.102 6.844 -31.095 283 HA SER 36 HA SER 36 0.375 6.204 -33.554 284 1HB SER 36 1HB SER 36 -1.806 7.554 -33.727 285 2HB SER 36 2HB SER 36 -0.929 8.860 -32.934 286 HG SER 36 HG SER 36 -1.008 8.555 -35.431 287 H TYR 37 H TYR 37 1.815 8.375 -34.014 288 HA TYR 37 HA TYR 37 3.980 8.162 -32.249 289 1HB TYR 37 1HB TYR 37 3.982 8.933 -34.674 290 2HB TYR 37 2HB TYR 37 3.439 10.498 -34.090 291 HD1 TYR 37 HD1 TYR 37 6.254 8.257 -34.492 292 HD2 TYR 37 HD2 TYR 37 4.962 11.889 -32.689 293 HE1 TYR 37 HE1 TYR 37 8.598 8.926 -34.175 294 HE2 TYR 37 HE2 TYR 37 7.303 12.568 -32.370 295 HH TYR 37 HH TYR 37 9.865 11.115 -33.939 296 H THR 38 H THR 38 1.594 10.770 -32.617 297 HA THR 38 HA THR 38 2.569 12.437 -30.587 298 HB THR 38 HB THR 38 0.026 13.167 -30.567 299 HG1 THR 38 HG1 THR 38 -1.067 11.770 -31.766 300 1HG2 THR 38 1HG2 THR 38 1.824 13.519 -32.969 301 2HG2 THR 38 2HG2 THR 38 1.863 14.490 -31.497 302 3HG2 THR 38 3HG2 THR 38 0.449 14.540 -32.551 303 H ASN 39 H ASN 39 0.321 9.730 -30.471 304 HA ASN 39 HA ASN 39 -0.618 10.191 -27.840 305 1HB ASN 39 1HB ASN 39 -0.887 8.116 -29.856 306 2HB ASN 39 2HB ASN 39 -0.781 7.446 -28.231 307 1HD2 ASN 39 2HD2 ASN 39 -2.093 10.620 -28.824 308 2HD2 ASN 39 1HD2 ASN 39 -3.741 10.215 -28.507 309 H LEU 40 H LEU 40 2.066 8.276 -29.121 310 HA LEU 40 HA LEU 40 2.847 6.989 -26.787 311 1HB LEU 40 1HB LEU 40 4.459 8.019 -29.109 312 2HB LEU 40 2HB LEU 40 5.188 7.131 -27.787 313 HG LEU 40 HG LEU 40 2.979 6.043 -29.532 314 1HD1 LEU 40 1HD1 LEU 40 4.691 4.722 -30.608 315 2HD1 LEU 40 2HD1 LEU 40 5.933 5.463 -29.599 316 3HD1 LEU 40 3HD1 LEU 40 5.064 6.438 -30.784 317 1HD2 LEU 40 1HD2 LEU 40 3.625 3.904 -28.528 318 2HD2 LEU 40 2HD2 LEU 40 3.070 5.051 -27.308 319 3HD2 LEU 40 3HD2 LEU 40 4.794 4.740 -27.509 320 H ALA 41 H ALA 41 3.849 10.180 -27.994 321 HA ALA 41 HA ALA 41 5.566 10.853 -25.897 322 1HB ALA 41 1HB ALA 41 5.434 12.100 -28.006 323 2HB ALA 41 2HB ALA 41 5.276 13.162 -26.607 324 3HB ALA 41 3HB ALA 41 3.847 12.711 -27.537 325 H GLU 42 H GLU 42 2.074 11.014 -26.132 326 HA GLU 42 HA GLU 42 1.620 12.638 -23.864 327 1HB GLU 42 1HB GLU 42 -0.163 10.592 -25.194 328 2HB GLU 42 2HB GLU 42 -0.693 11.723 -23.957 329 1HG GLU 42 1HG GLU 42 0.358 12.418 -26.688 330 2HG GLU 42 2HG GLU 42 -1.316 12.523 -26.144 331 H MET 43 H MET 43 1.425 9.097 -24.295 332 HA MET 43 HA MET 43 1.017 8.571 -21.549 333 1HB MET 43 1HB MET 43 1.894 6.845 -23.843 334 2HB MET 43 2HB MET 43 1.894 6.222 -22.199 335 1HG MET 43 1HG MET 43 -0.167 5.555 -22.894 336 2HG MET 43 2HG MET 43 -0.564 7.115 -22.180 337 1HE MET 43 1HE MET 43 -0.237 4.986 -25.398 338 2HE MET 43 2HE MET 43 1.077 6.134 -25.657 339 3HE MET 43 3HE MET 43 -0.353 6.184 -26.688 340 H VAL 44 H VAL 44 3.952 8.764 -23.516 341 HA VAL 44 HA VAL 44 5.808 7.833 -21.667 342 HB VAL 44 HB VAL 44 6.080 9.978 -23.772 343 1HG1 VAL 44 1HG1 VAL 44 8.508 9.804 -23.502 344 2HG1 VAL 44 2HG1 VAL 44 8.276 8.755 -22.103 345 3HG1 VAL 44 3HG1 VAL 44 7.740 10.435 -22.048 346 1HG2 VAL 44 1HG2 VAL 44 7.310 8.256 -24.982 347 2HG2 VAL 44 2HG2 VAL 44 5.690 7.695 -24.565 348 3HG2 VAL 44 3HG2 VAL 44 7.084 7.138 -23.640 349 H GLY 45 H GLY 45 4.315 11.022 -21.928 350 1HA GLY 45 1HA GLY 45 5.870 12.370 -20.017 351 2HA GLY 45 2HA GLY 45 4.222 12.784 -20.463 352 H GLU 46 H GLU 46 2.731 10.715 -19.601 353 HA GLU 46 HA GLU 46 2.687 11.235 -16.806 354 1HB GLU 46 1HB GLU 46 0.738 9.728 -16.752 355 2HB GLU 46 2HB GLU 46 0.612 10.960 -17.996 356 1HG GLU 46 1HG GLU 46 1.376 9.243 -19.651 357 2HG GLU 46 2HG GLU 46 1.245 8.043 -18.367 358 H MET 47 H MET 47 3.892 8.587 -18.753 359 HA MET 47 HA MET 47 4.247 6.684 -16.710 360 1HB MET 47 1HB MET 47 5.856 7.136 -19.228 361 2HB MET 47 2HB MET 47 6.041 5.740 -18.181 362 1HG MET 47 1HG MET 47 3.381 6.392 -19.370 363 2HG MET 47 2HG MET 47 4.607 5.573 -20.328 364 1HE MET 47 1HE MET 47 2.287 3.825 -16.758 365 2HE MET 47 2HE MET 47 1.997 5.385 -17.535 366 3HE MET 47 3HE MET 47 3.387 5.168 -16.475 367 H ASN 48 H ASN 48 6.455 9.194 -17.933 368 HA ASN 48 HA ASN 48 8.611 8.542 -16.239 369 1HB ASN 48 1HB ASN 48 7.866 11.019 -17.757 370 2HB ASN 48 2HB ASN 48 9.211 11.058 -16.625 371 1HD2 ASN 48 2HD2 ASN 48 8.052 9.878 -19.662 372 2HD2 ASN 48 1HD2 ASN 48 9.573 9.283 -20.239 373 H LYS 49 H LYS 49 5.885 10.756 -15.824 374 HA LYS 49 HA LYS 49 6.896 11.916 -13.425 375 1HB LYS 49 1HB LYS 49 4.104 11.928 -14.577 376 2HB LYS 49 2HB LYS 49 4.633 12.906 -13.213 377 1HG LYS 49 1HG LYS 49 6.381 13.878 -14.741 378 2HG LYS 49 2HG LYS 49 5.543 13.077 -16.069 379 1HD LYS 49 1HD LYS 49 3.491 14.293 -15.503 380 2HD LYS 49 2HD LYS 49 4.342 15.104 -14.186 381 1HE LYS 49 1HE LYS 49 5.959 15.969 -15.901 382 2HE LYS 49 2HE LYS 49 4.878 15.334 -17.139 383 1HZ LYS 49 1HZ LYS 49 3.115 16.758 -16.237 384 2HZ LYS 49 2HZ LYS 49 4.450 17.659 -16.772 385 3HZ LYS 49 3HZ LYS 49 4.211 17.401 -15.113 386 H LEU 50 H LEU 50 5.690 8.891 -13.975 387 HA LEU 50 HA LEU 50 4.464 8.578 -11.356 388 1HB LEU 50 1HB LEU 50 5.036 6.625 -13.576 389 2HB LEU 50 2HB LEU 50 4.356 6.150 -12.033 390 HG LEU 50 HG LEU 50 3.087 8.005 -14.045 391 1HD1 LEU 50 1HD1 LEU 50 2.353 5.230 -13.130 392 2HD1 LEU 50 2HD1 LEU 50 3.013 5.671 -14.704 393 3HD1 LEU 50 3HD1 LEU 50 1.411 6.235 -14.232 394 1HD2 LEU 50 1HD2 LEU 50 1.150 7.991 -12.544 395 2HD2 LEU 50 2HD2 LEU 50 2.562 8.721 -11.781 396 3HD2 LEU 50 3HD2 LEU 50 2.082 7.079 -11.356 397 H LEU 51 H LEU 51 7.548 8.196 -12.860 398 HA LEU 51 HA LEU 51 8.518 6.713 -10.512 399 1HB LEU 51 1HB LEU 51 9.524 6.778 -13.346 400 2HB LEU 51 2HB LEU 51 10.434 6.071 -12.022 401 HG LEU 51 HG LEU 51 7.653 5.168 -12.768 402 1HD1 LEU 51 1HD1 LEU 51 8.731 3.266 -13.865 403 2HD1 LEU 51 2HD1 LEU 51 10.308 4.009 -13.595 404 3HD1 LEU 51 3HD1 LEU 51 9.135 4.791 -14.655 405 1HD2 LEU 51 1HD2 LEU 51 8.371 4.670 -10.480 406 2HD2 LEU 51 2HD2 LEU 51 9.824 3.890 -11.107 407 3HD2 LEU 51 3HD2 LEU 51 8.236 3.205 -11.453 408 H GLU 52 H GLU 52 8.679 9.687 -12.137 409 HA GLU 52 HA GLU 52 11.194 10.633 -11.445 410 1HB GLU 52 1HB GLU 52 8.551 11.941 -11.862 411 2HB GLU 52 2HB GLU 52 9.887 12.891 -11.226 412 1HG GLU 52 1HG GLU 52 10.163 11.249 -13.715 413 2HG GLU 52 2HG GLU 52 9.525 12.889 -13.746 414 HA PRO 53 HA PRO 53 9.664 11.810 -7.086 415 1HB PRO 53 1HB PRO 53 7.069 10.715 -6.526 416 2HB PRO 53 2HB PRO 53 7.531 12.413 -6.654 417 1HG PRO 53 1HG PRO 53 5.867 11.124 -8.419 418 2HG PRO 53 2HG PRO 53 6.814 12.569 -8.814 419 1HD PRO 53 1HD PRO 53 7.397 9.695 -9.419 420 2HD PRO 53 2HD PRO 53 7.627 11.133 -10.439 421 H SER 54 H SER 54 10.600 9.181 -8.146 422 HA SER 54 HA SER 54 10.255 7.709 -5.632 423 1HB SER 54 1HB SER 54 10.028 5.610 -6.725 424 2HB SER 54 2HB SER 54 8.922 6.693 -7.565 425 HG SER 54 HG SER 54 10.617 6.976 -9.148 426 H GLN 55 H GLN 55 11.983 5.737 -5.842 427 HA GLN 55 HA GLN 55 14.531 6.968 -5.647 428 1HB GLN 55 1HB GLN 55 13.558 4.944 -4.392 429 2HB GLN 55 2HB GLN 55 13.961 4.028 -5.835 430 1HG GLN 55 1HG GLN 55 15.730 3.683 -4.370 431 2HG GLN 55 2HG GLN 55 16.325 4.860 -5.538 432 1HE2 GLN 55 2HE2 GLN 55 17.153 4.264 -2.768 433 2HE2 GLN 55 1HE2 GLN 55 17.053 5.765 -1.924 434 H VAL 56 H VAL 56 12.919 4.881 -7.966 435 HA VAL 56 HA VAL 56 15.310 4.804 -9.630 436 HB VAL 56 HB VAL 56 13.906 3.120 -10.980 437 1HG1 VAL 56 1HG1 VAL 56 14.867 2.477 -8.199 438 2HG1 VAL 56 2HG1 VAL 56 15.841 2.499 -9.669 439 3HG1 VAL 56 3HG1 VAL 56 14.568 1.293 -9.471 440 1HG2 VAL 56 1HG2 VAL 56 12.370 3.113 -8.384 441 2HG2 VAL 56 2HG2 VAL 56 12.211 1.916 -9.670 442 3HG2 VAL 56 3HG2 VAL 56 11.747 3.591 -9.963 443 H HIS 57 H HIS 57 15.432 6.484 -10.949 444 HA HIS 57 HA HIS 57 12.983 7.652 -12.035 445 1HB HIS 57 1HB HIS 57 15.859 8.573 -12.248 446 2HB HIS 57 2HB HIS 57 14.470 9.441 -12.886 447 HD1 HIS 57 HD1 HIS 57 13.809 11.322 -11.426 448 HD2 HIS 57 HD2 HIS 57 15.376 8.142 -9.232 449 HE1 HIS 57 HE1 HIS 57 13.904 12.116 -9.040 450 H LEU 58 H LEU 58 12.492 5.856 -13.424 451 HA LEU 58 HA LEU 58 14.274 5.114 -15.521 452 1HB LEU 58 1HB LEU 58 11.354 4.621 -15.033 453 2HB LEU 58 2HB LEU 58 12.089 4.200 -16.569 454 HG LEU 58 HG LEU 58 12.037 2.227 -15.250 455 1HD1 LEU 58 1HD1 LEU 58 14.082 2.542 -16.523 456 2HD1 LEU 58 2HD1 LEU 58 14.404 1.672 -15.022 457 3HD1 LEU 58 3HD1 LEU 58 14.814 3.382 -15.154 458 1HD2 LEU 58 1HD2 LEU 58 11.720 3.225 -13.069 459 2HD2 LEU 58 2HD2 LEU 58 13.383 3.811 -13.078 460 3HD2 LEU 58 3HD2 LEU 58 13.058 2.078 -13.037 461 H LYS 59 H LYS 59 14.774 6.236 -17.225 462 HA LYS 59 HA LYS 59 13.091 8.496 -18.005 463 1HB LYS 59 1HB LYS 59 15.889 7.671 -18.820 464 2HB LYS 59 2HB LYS 59 15.063 9.099 -19.435 465 1HG LYS 59 1HG LYS 59 15.055 10.129 -17.310 466 2HG LYS 59 2HG LYS 59 15.526 8.635 -16.503 467 1HD LYS 59 1HD LYS 59 17.273 10.081 -18.493 468 2HD LYS 59 2HD LYS 59 17.351 10.346 -16.751 469 1HE LYS 59 1HE LYS 59 17.716 7.836 -16.545 470 2HE LYS 59 2HE LYS 59 17.979 7.842 -18.288 471 1HZ LYS 59 1HZ LYS 59 19.521 9.436 -16.312 472 2HZ LYS 59 2HZ LYS 59 19.796 9.403 -17.986 473 3HZ LYS 59 3HZ LYS 59 20.062 8.015 -17.054 474 H PHE 60 H PHE 60 11.478 7.916 -19.284 475 HA PHE 60 HA PHE 60 11.816 5.802 -21.254 476 1HB PHE 60 1HB PHE 60 9.390 7.508 -20.646 477 2HB PHE 60 2HB PHE 60 9.421 6.078 -21.670 478 HD1 PHE 60 HD1 PHE 60 9.217 7.341 -18.300 479 HD2 PHE 60 HD2 PHE 60 9.810 3.851 -20.657 480 HE1 PHE 60 HE1 PHE 60 8.687 5.940 -16.351 481 HE2 PHE 60 HE2 PHE 60 9.283 2.442 -18.712 482 HZ PHE 60 HZ PHE 60 8.719 3.487 -16.553 483 H GLU 61 H GLU 61 12.561 6.247 -23.222 484 HA GLU 61 HA GLU 61 12.097 8.961 -24.283 485 1HB GLU 61 1HB GLU 61 14.501 8.229 -23.630 486 2HB GLU 61 2HB GLU 61 14.431 7.246 -25.084 487 1HG GLU 61 1HG GLU 61 15.526 9.369 -25.506 488 2HG GLU 61 2HG GLU 61 14.029 9.230 -26.429 489 H LEU 62 H LEU 62 11.268 9.138 -26.295 490 HA LEU 62 HA LEU 62 10.367 6.703 -27.593 491 1HB LEU 62 1HB LEU 62 8.781 8.533 -27.338 492 2HB LEU 62 2HB LEU 62 9.859 9.620 -28.190 493 HG LEU 62 HG LEU 62 9.539 8.300 -30.257 494 1HD1 LEU 62 1HD1 LEU 62 9.057 6.142 -29.225 495 2HD1 LEU 62 2HD1 LEU 62 7.793 6.611 -30.362 496 3HD1 LEU 62 3HD1 LEU 62 7.521 6.766 -28.626 497 1HD2 LEU 62 1HD2 LEU 62 7.232 8.990 -30.685 498 2HD2 LEU 62 2HD2 LEU 62 8.137 10.243 -29.838 499 3HD2 LEU 62 3HD2 LEU 62 6.984 9.241 -28.956 500 H HIS 63 H HIS 63 11.352 5.793 -29.262 501 HA HIS 63 HA HIS 63 13.049 7.450 -30.985 502 1HB HIS 63 1HB HIS 63 13.858 4.953 -29.545 503 2HB HIS 63 2HB HIS 63 14.553 5.307 -31.122 504 HD1 HIS 63 HD1 HIS 63 16.199 7.296 -31.286 505 HD2 HIS 63 HD2 HIS 63 14.716 6.615 -27.455 506 HE1 HIS 63 HE1 HIS 63 17.655 8.648 -29.738 507 H ASP 64 H ASP 64 12.887 7.038 -33.082 508 HA ASP 64 HA ASP 64 11.059 4.874 -33.878 509 1HB ASP 64 1HB ASP 64 10.398 6.301 -35.750 510 2HB ASP 64 2HB ASP 64 10.164 7.151 -34.228 511 H LYS 65 H LYS 65 11.400 4.026 -36.047 512 HA LYS 65 HA LYS 65 14.041 4.486 -37.198 513 1HB LYS 65 1HB LYS 65 14.487 2.113 -37.486 514 2HB LYS 65 2HB LYS 65 14.277 2.472 -35.780 515 1HG LYS 65 1HG LYS 65 11.937 1.618 -35.977 516 2HG LYS 65 2HG LYS 65 12.322 1.117 -37.622 517 1HD LYS 65 1HD LYS 65 14.132 -0.298 -36.764 518 2HD LYS 65 2HD LYS 65 13.734 0.193 -35.117 519 1HE LYS 65 1HE LYS 65 11.509 -0.792 -35.362 520 2HE LYS 65 2HE LYS 65 11.904 -1.280 -37.011 521 1HZ LYS 65 1HZ LYS 65 13.705 -2.649 -36.091 522 2HZ LYS 65 2HZ LYS 65 12.182 -3.130 -35.527 523 3HZ LYS 65 3HZ LYS 65 13.215 -2.237 -34.519 524 H LEU 66 H LEU 66 13.522 2.216 -39.060 525 HA LEU 66 HA LEU 66 12.498 3.573 -41.203 526 1HB LEU 66 1HB LEU 66 13.675 1.240 -40.942 527 2HB LEU 66 2HB LEU 66 12.034 0.629 -40.974 528 HG LEU 66 HG LEU 66 13.201 2.342 -43.170 529 1HD1 LEU 66 1HD1 LEU 66 12.968 -0.661 -43.030 530 2HD1 LEU 66 2HD1 LEU 66 14.468 0.265 -42.968 531 3HD1 LEU 66 3HD1 LEU 66 13.484 0.277 -44.431 532 1HD2 LEU 66 1HD2 LEU 66 11.334 1.487 -44.482 533 2HD2 LEU 66 2HD2 LEU 66 10.753 2.326 -43.043 534 3HD2 LEU 66 3HD2 LEU 66 10.764 0.563 -43.091 535 H ASN 67 H ASN 67 10.655 0.958 -39.585 536 HA ASN 67 HA ASN 67 8.202 2.312 -40.514 537 1HB ASN 67 1HB ASN 67 8.698 0.097 -41.531 538 2HB ASN 67 2HB ASN 67 8.615 -0.625 -39.929 539 1HD2 ASN 67 2HD2 ASN 67 6.504 1.937 -41.081 540 2HD2 ASN 67 1HD2 ASN 67 5.059 0.979 -41.110 541 H GLU 68 H GLU 68 9.831 0.987 -37.731 542 HA GLU 68 HA GLU 68 7.380 1.202 -36.142 543 1HB GLU 68 1HB GLU 68 10.022 -0.130 -35.565 544 2HB GLU 68 2HB GLU 68 8.753 0.047 -34.363 545 1HG GLU 68 1HG GLU 68 8.548 -1.455 -36.957 546 2HG GLU 68 2HG GLU 68 8.717 -2.162 -35.352 547 H TYR 69 H TYR 69 7.296 2.331 -34.221 548 HA TYR 69 HA TYR 69 9.587 3.969 -33.454 549 1HB TYR 69 1HB TYR 69 7.840 5.816 -32.895 550 2HB TYR 69 2HB TYR 69 8.418 5.660 -34.541 551 HD1 TYR 69 HD1 TYR 69 6.940 4.691 -36.286 552 HD2 TYR 69 HD2 TYR 69 5.544 5.452 -32.346 553 HE1 TYR 69 HE1 TYR 69 4.620 4.572 -37.091 554 HE2 TYR 69 HE2 TYR 69 3.222 5.331 -33.136 555 HH TYR 69 HH TYR 69 2.358 4.105 -36.151 556 H TYR 70 H TYR 70 10.047 3.514 -31.394 557 HA TYR 70 HA TYR 70 7.868 2.431 -29.728 558 1HB TYR 70 1HB TYR 70 9.330 0.678 -28.935 559 2HB TYR 70 2HB TYR 70 9.277 0.625 -30.692 560 HD1 TYR 70 HD1 TYR 70 11.242 1.271 -32.015 561 HD2 TYR 70 HD2 TYR 70 11.362 1.261 -27.763 562 HE1 TYR 70 HE1 TYR 70 13.700 1.385 -32.090 563 HE2 TYR 70 HE2 TYR 70 13.813 1.366 -27.824 564 HH TYR 70 HH TYR 70 15.646 0.833 -29.328 565 H VAL 71 H VAL 71 8.465 2.294 -27.399 566 HA VAL 71 HA VAL 71 10.071 4.636 -26.617 567 HB VAL 71 HB VAL 71 7.892 3.267 -25.020 568 1HG1 VAL 71 1HG1 VAL 71 9.379 5.850 -24.547 569 2HG1 VAL 71 2HG1 VAL 71 9.554 4.357 -23.623 570 3HG1 VAL 71 3HG1 VAL 71 8.033 5.249 -23.579 571 1HG2 VAL 71 1HG2 VAL 71 6.949 4.357 -26.980 572 2HG2 VAL 71 2HG2 VAL 71 7.789 5.853 -26.572 573 3HG2 VAL 71 3HG2 VAL 71 6.523 5.235 -25.513 574 H LYS 72 H LYS 72 11.792 4.332 -25.311 575 HA LYS 72 HA LYS 72 12.300 1.562 -24.458 576 1HB LYS 72 1HB LYS 72 14.654 1.996 -24.718 577 2HB LYS 72 2HB LYS 72 13.827 2.453 -26.198 578 1HG LYS 72 1HG LYS 72 13.850 4.831 -25.285 579 2HG LYS 72 2HG LYS 72 15.005 4.235 -24.094 580 1HD LYS 72 1HD LYS 72 15.300 4.308 -27.086 581 2HD LYS 72 2HD LYS 72 16.271 5.147 -25.879 582 1HE LYS 72 1HE LYS 72 17.116 3.000 -25.066 583 2HE LYS 72 2HE LYS 72 16.141 2.161 -26.271 584 1HZ LYS 72 1HZ LYS 72 17.408 3.399 -27.992 585 2HZ LYS 72 2HZ LYS 72 18.353 2.321 -27.086 586 3HZ LYS 72 3HZ LYS 72 18.427 3.989 -26.769 587 H VAL 73 H VAL 73 13.047 1.146 -22.431 588 HA VAL 73 HA VAL 73 12.639 3.268 -20.446 589 HB VAL 73 HB VAL 73 13.075 0.310 -19.975 590 1HG1 VAL 73 1HG1 VAL 73 11.958 2.492 -18.222 591 2HG1 VAL 73 2HG1 VAL 73 13.522 1.698 -18.042 592 3HG1 VAL 73 3HG1 VAL 73 12.034 0.781 -17.801 593 1HG2 VAL 73 1HG2 VAL 73 11.093 0.612 -21.349 594 2HG2 VAL 73 2HG2 VAL 73 10.472 1.814 -20.220 595 3HG2 VAL 73 3HG2 VAL 73 10.644 0.133 -19.713 596 H ILE 74 H ILE 74 14.392 4.368 -19.896 597 HA ILE 74 HA ILE 74 16.985 2.979 -19.904 598 HB ILE 74 HB ILE 74 16.444 5.948 -20.133 599 1HG1 ILE 74 1HG1 ILE 74 17.412 3.967 -22.208 600 2HG1 ILE 74 2HG1 ILE 74 15.791 4.650 -22.141 601 1HG2 ILE 74 1HG2 ILE 74 19.037 4.419 -20.361 602 2HG2 ILE 74 2HG2 ILE 74 18.560 5.434 -19.000 603 3HG2 ILE 74 3HG2 ILE 74 18.831 6.159 -20.585 604 1HD1 ILE 74 1HD1 ILE 74 16.695 6.868 -22.542 605 2HD1 ILE 74 2HD1 ILE 74 17.176 5.747 -23.817 606 3HD1 ILE 74 3HD1 ILE 74 18.330 6.208 -22.566 607 H GLU 75 H GLU 75 17.535 2.368 -17.939 608 HA GLU 75 HA GLU 75 16.550 3.537 -15.551 609 1HB GLU 75 1HB GLU 75 17.212 1.219 -15.583 610 2HB GLU 75 2HB GLU 75 18.838 1.638 -16.086 611 1HG GLU 75 1HG GLU 75 18.789 1.024 -13.748 612 2HG GLU 75 2HG GLU 75 19.229 2.720 -13.942 613 H ASP 76 H ASP 76 17.432 5.064 -14.227 614 HA ASP 76 HA ASP 76 19.361 6.806 -15.498 615 1HB ASP 76 1HB ASP 76 17.441 7.808 -14.389 616 2HB ASP 76 2HB ASP 76 17.895 7.053 -12.864 617 H SER 77 H SER 77 19.258 4.542 -12.858 618 HA SER 77 HA SER 77 21.618 5.392 -11.549 619 1HB SER 77 1HB SER 77 19.845 3.911 -10.557 620 2HB SER 77 2HB SER 77 20.453 2.599 -11.566 621 HG SER 77 HG SER 77 21.993 4.054 -9.664 622 H THR 78 H THR 78 21.024 2.904 -14.026 623 HA THR 78 HA THR 78 23.888 2.374 -14.208 624 HB THR 78 HB THR 78 23.123 0.621 -15.884 625 HG1 THR 78 HG1 THR 78 20.785 0.124 -15.509 626 1HG2 THR 78 1HG2 THR 78 22.026 0.463 -13.069 627 2HG2 THR 78 2HG2 THR 78 23.673 0.066 -13.560 628 3HG2 THR 78 3HG2 THR 78 22.323 -0.908 -14.139 629 H ASN 79 H ASN 79 21.383 4.062 -15.867 630 HA ASN 79 HA ASN 79 21.303 5.360 -17.716 631 1HB ASN 79 1HB ASN 79 24.282 5.168 -17.391 632 2HB ASN 79 2HB ASN 79 23.584 5.982 -18.786 633 1HD2 ASN 79 2HD2 ASN 79 25.177 7.009 -16.552 634 2HD2 ASN 79 1HD2 ASN 79 24.231 8.279 -15.849 635 H GLU 80 H GLU 80 21.473 2.335 -17.793 636 HA GLU 80 HA GLU 80 22.132 2.051 -20.641 637 1HB GLU 80 1HB GLU 80 22.283 -0.321 -20.298 638 2HB GLU 80 2HB GLU 80 23.223 0.460 -19.032 639 1HG GLU 80 1HG GLU 80 21.627 -0.016 -17.393 640 2HG GLU 80 2HG GLU 80 20.382 -0.374 -18.587 641 H VAL 81 H VAL 81 20.666 0.522 -21.833 642 HA VAL 81 HA VAL 81 17.893 1.248 -21.301 643 HB VAL 81 HB VAL 81 19.000 -0.334 -23.626 644 1HG1 VAL 81 1HG1 VAL 81 16.398 1.156 -23.266 645 2HG1 VAL 81 2HG1 VAL 81 16.602 -0.595 -23.276 646 3HG1 VAL 81 3HG1 VAL 81 16.918 0.335 -24.740 647 1HG2 VAL 81 1HG2 VAL 81 20.084 1.828 -23.575 648 2HG2 VAL 81 2HG2 VAL 81 18.529 2.637 -23.389 649 3HG2 VAL 81 3HG2 VAL 81 18.906 1.788 -24.888 650 H ILE 82 H ILE 82 16.837 -0.048 -19.923 651 HA ILE 82 HA ILE 82 17.718 -2.807 -19.636 652 HB ILE 82 HB ILE 82 16.146 -2.879 -17.693 653 1HG1 ILE 82 1HG1 ILE 82 15.923 0.097 -18.173 654 2HG1 ILE 82 2HG1 ILE 82 14.643 -1.061 -18.504 655 1HG2 ILE 82 1HG2 ILE 82 18.500 -2.447 -17.376 656 2HG2 ILE 82 2HG2 ILE 82 17.554 -1.470 -16.252 657 3HG2 ILE 82 3HG2 ILE 82 18.257 -0.731 -17.692 658 1HD1 ILE 82 1HD1 ILE 82 14.544 -1.644 -16.141 659 2HD1 ILE 82 2HD1 ILE 82 14.288 0.084 -16.387 660 3HD1 ILE 82 3HD1 ILE 82 15.845 -0.502 -15.799 661 H ARG 83 H ARG 83 15.295 -1.116 -21.299 662 HA ARG 83 HA ARG 83 14.238 -3.550 -22.337 663 1HB ARG 83 1HB ARG 83 13.042 -3.015 -20.026 664 2HB ARG 83 2HB ARG 83 12.102 -1.925 -21.038 665 1HG ARG 83 1HG ARG 83 10.923 -3.976 -20.899 666 2HG ARG 83 2HG ARG 83 11.607 -3.876 -22.526 667 1HD ARG 83 1HD ARG 83 13.519 -5.252 -21.726 668 2HD ARG 83 2HD ARG 83 12.682 -5.443 -20.189 669 HE ARG 83 HE ARG 83 11.299 -6.289 -22.615 670 1HH1 ARG 83 1HH1 ARG 83 13.011 -7.137 -19.671 671 2HH1 ARG 83 2HH1 ARG 83 12.502 -8.800 -19.713 672 1HH2 ARG 83 1HH2 ARG 83 10.647 -8.476 -22.690 673 2HH2 ARG 83 2HH2 ARG 83 11.168 -9.569 -21.436 674 H GLU 84 H GLU 84 13.318 -3.244 -24.300 675 HA GLU 84 HA GLU 84 12.582 -0.488 -25.065 676 1HB GLU 84 1HB GLU 84 13.772 -2.658 -26.809 677 2HB GLU 84 2HB GLU 84 13.216 -1.093 -27.385 678 1HG GLU 84 1HG GLU 84 14.910 0.025 -26.058 679 2HG GLU 84 2HG GLU 84 15.438 -1.524 -25.405 680 H ILE 85 H ILE 85 10.439 -0.340 -25.273 681 HA ILE 85 HA ILE 85 8.938 -2.799 -25.852 682 HB ILE 85 HB ILE 85 8.019 -0.242 -24.517 683 1HG1 ILE 85 1HG1 ILE 85 7.541 -1.977 -22.636 684 2HG1 ILE 85 2HG1 ILE 85 8.691 -2.991 -23.502 685 1HG2 ILE 85 1HG2 ILE 85 6.465 -2.754 -25.109 686 2HG2 ILE 85 2HG2 ILE 85 6.228 -1.175 -25.858 687 3HG2 ILE 85 3HG2 ILE 85 5.888 -1.396 -24.141 688 1HD1 ILE 85 1HD1 ILE 85 9.778 -1.812 -21.699 689 2HD1 ILE 85 2HD1 ILE 85 9.229 -0.267 -22.348 690 3HD1 ILE 85 3HD1 ILE 85 10.389 -1.240 -23.253 691 HA PRO 86 HA PRO 86 8.068 -0.880 -29.833 692 1HB PRO 86 1HB PRO 86 6.654 -2.979 -30.807 693 2HB PRO 86 2HB PRO 86 8.420 -2.958 -30.765 694 1HG PRO 86 1HG PRO 86 6.500 -4.234 -28.848 695 2HG PRO 86 2HG PRO 86 7.976 -4.911 -29.558 696 1HD PRO 86 1HD PRO 86 7.935 -3.902 -27.064 697 2HD PRO 86 2HD PRO 86 9.358 -3.735 -28.113 698 HA PRO 87 HA PRO 87 4.236 1.041 -29.130 699 1HB PRO 87 1HB PRO 87 3.063 0.923 -31.651 700 2HB PRO 87 2HB PRO 87 4.209 2.149 -31.107 701 1HG PRO 87 1HG PRO 87 4.682 -0.300 -32.741 702 2HG PRO 87 2HG PRO 87 5.425 1.306 -32.875 703 1HD PRO 87 1HD PRO 87 6.741 -0.750 -31.770 704 2HD PRO 87 2HD PRO 87 6.911 0.903 -31.142 705 H LYS 88 H LYS 88 4.009 -2.030 -30.879 706 HA LYS 88 HA LYS 88 1.218 -2.302 -30.140 707 1HB LYS 88 1HB LYS 88 1.240 -4.347 -31.468 708 2HB LYS 88 2HB LYS 88 1.887 -2.989 -32.376 709 1HG LYS 88 1HG LYS 88 4.180 -3.819 -31.813 710 2HG LYS 88 2HG LYS 88 3.419 -5.259 -31.127 711 1HD LYS 88 1HD LYS 88 3.257 -4.296 -33.985 712 2HD LYS 88 2HD LYS 88 4.094 -5.731 -33.394 713 1HE LYS 88 1HE LYS 88 1.993 -6.747 -32.762 714 2HE LYS 88 2HE LYS 88 1.118 -5.281 -33.201 715 1HZ LYS 88 1HZ LYS 88 2.627 -7.028 -35.071 716 2HZ LYS 88 2HZ LYS 88 1.810 -5.606 -35.500 717 3HZ LYS 88 3HZ LYS 88 0.940 -6.945 -34.929 718 H ARG 89 H ARG 89 3.889 -2.644 -28.411 719 HA ARG 89 HA ARG 89 2.663 -4.773 -26.768 720 1HB ARG 89 1HB ARG 89 5.575 -4.011 -27.063 721 2HB ARG 89 2HB ARG 89 4.974 -5.026 -25.761 722 1HG ARG 89 1HG ARG 89 4.756 -5.662 -28.697 723 2HG ARG 89 2HG ARG 89 5.966 -6.317 -27.591 724 1HD ARG 89 1HD ARG 89 4.070 -7.198 -26.203 725 2HD ARG 89 2HD ARG 89 2.986 -6.722 -27.510 726 HE ARG 89 HE ARG 89 5.180 -8.421 -28.325 727 1HH1 ARG 89 1HH1 ARG 89 1.884 -8.276 -27.159 728 2HH1 ARG 89 2HH1 ARG 89 1.470 -9.863 -27.733 729 1HH2 ARG 89 1HH2 ARG 89 4.661 -10.546 -29.038 730 2HH2 ARG 89 2HH2 ARG 89 3.060 -11.167 -28.765 731 H TRP 90 H TRP 90 3.161 -1.572 -27.142 732 HA TRP 90 HA TRP 90 4.066 -0.649 -24.664 733 1HB TRP 90 1HB TRP 90 4.072 0.806 -26.579 734 2HB TRP 90 2HB TRP 90 2.326 0.663 -26.757 735 HD1 TRP 90 HD1 TRP 90 0.888 2.430 -25.568 736 HE1 TRP 90 HE1 TRP 90 1.360 4.335 -23.897 737 HE3 TRP 90 HE3 TRP 90 5.772 1.374 -24.478 738 HZ2 TRP 90 HZ2 TRP 90 3.515 5.264 -22.323 739 HZ3 TRP 90 HZ3 TRP 90 6.965 2.818 -22.877 740 HH2 TRP 90 HH2 TRP 90 5.859 4.719 -21.825 741 H LEU 91 H LEU 91 0.847 -1.500 -25.783 742 HA LEU 91 HA LEU 91 -0.576 -0.239 -23.697 743 1HB LEU 91 1HB LEU 91 -1.323 -2.548 -25.489 744 2HB LEU 91 2HB LEU 91 -2.431 -1.820 -24.346 745 HG LEU 91 HG LEU 91 -2.963 -0.878 -26.431 746 1HD1 LEU 91 1HD1 LEU 91 -2.410 1.494 -26.188 747 2HD1 LEU 91 2HD1 LEU 91 -1.209 1.072 -24.969 748 3HD1 LEU 91 3HD1 LEU 91 -2.918 0.758 -24.666 749 1HD2 LEU 91 1HD2 LEU 91 -0.037 -0.297 -26.843 750 2HD2 LEU 91 2HD2 LEU 91 -1.345 0.160 -27.933 751 3HD2 LEU 91 3HD2 LEU 91 -0.974 -1.543 -27.667 752 H ASP 92 H ASP 92 0.966 -3.355 -23.995 753 HA ASP 92 HA ASP 92 -0.155 -4.540 -21.676 754 1HB ASP 92 1HB ASP 92 2.497 -5.115 -23.027 755 2HB ASP 92 2HB ASP 92 1.702 -6.151 -21.846 756 H PHE 93 H PHE 93 2.846 -2.811 -22.307 757 HA PHE 93 HA PHE 93 3.863 -2.927 -19.673 758 1HB PHE 93 1HB PHE 93 5.293 -2.487 -21.597 759 2HB PHE 93 2HB PHE 93 4.426 -0.994 -21.934 760 HD1 PHE 93 HD1 PHE 93 5.339 0.979 -21.210 761 HD2 PHE 93 HD2 PHE 93 6.337 -2.625 -19.179 762 HE1 PHE 93 HE1 PHE 93 6.933 2.219 -19.805 763 HE2 PHE 93 HE2 PHE 93 7.936 -1.392 -17.774 764 HZ PHE 93 HZ PHE 93 8.234 1.031 -18.087 765 H TYR 94 H TYR 94 2.027 -0.452 -21.414 766 HA TYR 94 HA TYR 94 2.016 1.527 -19.435 767 1HB TYR 94 1HB TYR 94 1.355 1.942 -21.752 768 2HB TYR 94 2HB TYR 94 -0.058 0.913 -21.557 769 HD1 TYR 94 HD1 TYR 94 -2.068 1.978 -21.246 770 HD2 TYR 94 HD2 TYR 94 1.480 3.898 -19.896 771 HE1 TYR 94 HE1 TYR 94 -3.390 3.935 -20.575 772 HE2 TYR 94 HE2 TYR 94 0.163 5.861 -19.212 773 HH TYR 94 HH TYR 94 -1.941 6.924 -19.675 774 H ALA 95 H ALA 95 -0.245 -1.140 -20.022 775 HA ALA 95 HA ALA 95 -2.057 -0.472 -17.959 776 1HB ALA 95 1HB ALA 95 -1.478 -3.173 -19.173 777 2HB ALA 95 2HB ALA 95 -2.639 -1.993 -19.781 778 3HB ALA 95 3HB ALA 95 -2.894 -2.752 -18.210 779 H ALA 96 H ALA 96 0.761 -2.604 -18.079 780 HA ALA 96 HA ALA 96 0.556 -3.758 -15.555 781 1HB ALA 96 1HB ALA 96 2.928 -4.267 -15.763 782 2HB ALA 96 2HB ALA 96 3.076 -3.097 -17.075 783 3HB ALA 96 3HB ALA 96 2.092 -4.544 -17.291 784 H MET 97 H MET 97 2.239 -0.768 -16.522 785 HA MET 97 HA MET 97 3.289 -0.232 -13.952 786 1HB MET 97 1HB MET 97 2.814 1.522 -16.346 787 2HB MET 97 2HB MET 97 3.460 2.165 -14.842 788 1HG MET 97 1HG MET 97 5.275 0.433 -15.016 789 2HG MET 97 2HG MET 97 4.691 0.106 -16.646 790 1HE MET 97 1HE MET 97 6.292 4.230 -15.329 791 2HE MET 97 2HE MET 97 6.189 2.846 -14.243 792 3HE MET 97 3HE MET 97 4.716 3.597 -14.853 793 H THR 98 H THR 98 0.313 0.829 -15.550 794 HA THR 98 HA THR 98 -0.473 2.652 -13.526 795 HB THR 98 HB THR 98 -2.292 1.152 -15.427 796 HG1 THR 98 HG1 THR 98 -0.823 2.143 -16.745 797 1HG2 THR 98 1HG2 THR 98 -3.685 3.181 -15.244 798 2HG2 THR 98 2HG2 THR 98 -2.549 3.837 -14.064 799 3HG2 THR 98 3HG2 THR 98 -3.471 2.383 -13.685 800 H GLU 99 H GLU 99 -1.152 -0.782 -14.050 801 HA GLU 99 HA GLU 99 -2.938 -1.159 -11.926 802 1HB GLU 99 1HB GLU 99 -0.991 -2.942 -13.355 803 2HB GLU 99 2HB GLU 99 -1.920 -3.545 -11.989 804 1HG GLU 99 1HG GLU 99 -3.187 -2.272 -14.397 805 2HG GLU 99 2HG GLU 99 -2.864 -4.000 -14.272 806 H PHE 100 H PHE 100 0.585 -1.153 -12.025 807 HA PHE 100 HA PHE 100 0.814 -1.995 -9.276 808 1HB PHE 100 1HB PHE 100 2.452 -2.673 -11.007 809 2HB PHE 100 2HB PHE 100 2.965 -0.995 -11.148 810 HD1 PHE 100 HD1 PHE 100 4.765 -0.284 -9.902 811 HD2 PHE 100 HD2 PHE 100 2.529 -3.654 -8.583 812 HE1 PHE 100 HE1 PHE 100 6.378 -0.632 -8.079 813 HE2 PHE 100 HE2 PHE 100 4.137 -4.009 -6.753 814 HZ PHE 100 HZ PHE 100 6.064 -2.501 -6.500 815 H LEU 101 H LEU 101 1.722 1.006 -11.037 816 HA LEU 101 HA LEU 101 2.441 2.255 -8.541 817 1HB LEU 101 1HB LEU 101 2.413 3.281 -11.372 818 2HB LEU 101 2HB LEU 101 2.788 4.310 -10.005 819 HG LEU 101 HG LEU 101 4.587 2.463 -9.493 820 1HD1 LEU 101 1HD1 LEU 101 3.894 0.905 -11.212 821 2HD1 LEU 101 2HD1 LEU 101 5.521 1.504 -11.543 822 3HD1 LEU 101 3HD1 LEU 101 4.146 2.135 -12.452 823 1HD2 LEU 101 1HD2 LEU 101 6.205 3.733 -10.812 824 2HD2 LEU 101 2HD2 LEU 101 5.072 4.796 -9.978 825 3HD2 LEU 101 3HD2 LEU 101 4.886 4.489 -11.704 826 H GLY 102 H GLY 102 -0.427 2.059 -10.426 827 1HA GLY 102 1HA GLY 102 -1.606 4.472 -9.370 828 2HA GLY 102 2HA GLY 102 -2.445 3.222 -10.270 829 H LEU 103 H LEU 103 -0.694 1.811 -7.844 830 HA LEU 103 HA LEU 103 -2.997 1.642 -6.060 831 1HB LEU 103 1HB LEU 103 -0.300 0.288 -5.951 832 2HB LEU 103 2HB LEU 103 -1.595 0.020 -4.802 833 HG LEU 103 HG LEU 103 -1.709 -0.625 -7.750 834 1HD1 LEU 103 1HD1 LEU 103 -1.527 -2.436 -5.347 835 2HD1 LEU 103 2HD1 LEU 103 -0.224 -2.108 -6.488 836 3HD1 LEU 103 3HD1 LEU 103 -1.679 -2.946 -7.028 837 1HD2 LEU 103 1HD2 LEU 103 -3.829 -1.717 -7.205 838 2HD2 LEU 103 2HD2 LEU 103 -3.891 0.012 -6.861 839 3HD2 LEU 103 3HD2 LEU 103 -3.698 -1.143 -5.544 840 H PHE 104 H PHE 104 -0.104 3.407 -6.401 841 HA PHE 104 HA PHE 104 0.057 4.075 -3.556 842 1HB PHE 104 1HB PHE 104 1.838 5.050 -5.802 843 2HB PHE 104 2HB PHE 104 2.150 5.162 -4.076 844 HD1 PHE 104 HD1 PHE 104 2.410 2.954 -2.790 845 HD2 PHE 104 HD2 PHE 104 2.615 3.256 -7.029 846 HE1 PHE 104 HE1 PHE 104 3.622 0.813 -2.883 847 HE2 PHE 104 HE2 PHE 104 3.824 1.118 -7.129 848 HZ PHE 104 HZ PHE 104 4.331 -0.107 -5.056 849 H VAL 105 H VAL 105 -2.011 4.951 -5.666 850 HA VAL 105 HA VAL 105 -1.625 7.797 -5.862 851 HB VAL 105 HB VAL 105 -3.827 7.821 -6.970 852 1HG1 VAL 105 1HG1 VAL 105 -1.815 7.577 -8.276 853 2HG1 VAL 105 2HG1 VAL 105 -3.114 6.606 -8.974 854 3HG1 VAL 105 3HG1 VAL 105 -1.842 5.829 -8.032 855 1HG2 VAL 105 1HG2 VAL 105 -3.726 4.841 -6.549 856 2HG2 VAL 105 2HG2 VAL 105 -4.896 5.697 -7.555 857 3HG2 VAL 105 3HG2 VAL 105 -4.873 5.960 -5.811 858 H ASP 106 H ASP 106 -2.407 9.330 -4.792 859 HA ASP 106 HA ASP 106 -4.429 8.804 -2.740 860 1HB ASP 106 1HB ASP 106 -2.289 9.669 -1.819 861 2HB ASP 106 2HB ASP 106 -2.416 11.069 -2.880 862 H GLU 107 H GLU 107 -6.210 9.292 -3.406 863 HA GLU 107 HA GLU 107 -7.520 10.479 -5.246 864 1HB GLU 107 1HB GLU 107 -7.903 11.405 -2.400 865 2HB GLU 107 2HB GLU 107 -9.082 11.534 -3.683 866 1HG GLU 107 1HG GLU 107 -9.772 9.693 -2.470 867 2HG GLU 107 2HG GLU 107 -8.931 9.000 -3.853 868 H LYS 108 H LYS 108 -6.001 12.699 -2.847 869 HA LYS 108 HA LYS 108 -6.801 14.976 -4.426 870 1HB LYS 108 1HB LYS 108 -5.386 14.629 -1.813 871 2HB LYS 108 2HB LYS 108 -5.359 16.190 -2.622 872 1HG LYS 108 1HG LYS 108 -7.825 14.669 -1.799 873 2HG LYS 108 2HG LYS 108 -7.156 16.091 -0.991 874 1HD LYS 108 1HD LYS 108 -7.496 17.404 -3.027 875 2HD LYS 108 2HD LYS 108 -8.168 15.989 -3.834 876 1HE LYS 108 1HE LYS 108 -9.978 15.925 -2.174 877 2HE LYS 108 2HE LYS 108 -9.310 17.366 -1.408 878 1HZ LYS 108 1HZ LYS 108 -10.371 17.174 -4.176 879 2HZ LYS 108 2HZ LYS 108 -9.629 18.552 -3.519 880 3HZ LYS 108 3HZ LYS 108 -11.092 17.987 -2.870 881 H LYS 109 H LYS 109 -4.253 12.877 -4.625 882 HA LYS 109 HA LYS 109 -2.522 14.886 -5.899 883 1HB LYS 109 1HB LYS 109 -1.911 12.102 -4.897 884 2HB LYS 109 2HB LYS 109 -0.757 13.123 -5.744 885 1HG LYS 109 1HG LYS 109 -1.037 14.810 -3.922 886 2HG LYS 109 2HG LYS 109 -2.028 13.631 -3.061 887 1HD LYS 109 1HD LYS 109 -0.099 12.055 -3.128 888 2HD LYS 109 2HD LYS 109 0.873 13.347 -3.840 889 1HE LYS 109 1HE LYS 109 -0.445 13.357 -1.127 890 2HE LYS 109 2HE LYS 109 1.281 13.238 -1.459 891 1HZ LYS 109 1HZ LYS 109 1.196 15.472 -2.428 892 2HZ LYS 109 2HZ LYS 109 0.685 15.473 -0.810 893 3HZ LYS 109 3HZ LYS 109 -0.460 15.578 -2.055 894 H LEU 110 H LEU 110 -4.976 13.079 -6.735 895 HA LEU 110 HA LEU 110 -3.982 11.472 -8.860 896 1HB LEU 110 1HB LEU 110 -6.748 12.447 -8.197 897 2HB LEU 110 2HB LEU 110 -6.408 11.413 -9.566 898 HG LEU 110 HG LEU 110 -5.934 10.701 -6.676 899 1HD1 LEU 110 1HD1 LEU 110 -7.998 9.717 -8.646 900 2HD1 LEU 110 2HD1 LEU 110 -8.304 10.785 -7.277 901 3HD1 LEU 110 3HD1 LEU 110 -7.769 9.127 -7.000 902 1HD2 LEU 110 1HD2 LEU 110 -4.300 9.655 -8.142 903 2HD2 LEU 110 2HD2 LEU 110 -5.593 9.078 -9.195 904 3HD2 LEU 110 3HD2 LEU 110 -5.457 8.463 -7.548 905 H GLU 111 H GLU 111 -6.139 14.250 -9.058 906 HA GLU 111 HA GLU 111 -6.478 15.839 -10.634 907 1HB GLU 111 1HB GLU 111 -3.528 15.401 -11.092 908 2HB GLU 111 2HB GLU 111 -4.457 16.664 -11.891 909 1HG GLU 111 1HG GLU 111 -5.079 17.515 -9.621 910 2HG GLU 111 2HG GLU 111 -3.937 16.356 -8.947 911 H HIS 112 H HIS 112 -6.884 13.025 -11.287 912 HA HIS 112 HA HIS 112 -6.620 13.149 -14.207 913 1HB HIS 112 1HB HIS 112 -7.189 10.854 -12.335 914 2HB HIS 112 2HB HIS 112 -7.498 10.740 -14.060 915 HD1 HIS 112 HD1 HIS 112 -5.616 9.774 -15.366 916 HD2 HIS 112 HD2 HIS 112 -4.328 11.644 -11.887 917 HE1 HIS 112 HE1 HIS 112 -3.129 9.399 -15.272 918 H HIS 113 H HIS 113 -8.429 13.062 -15.516 919 HA HIS 113 HA HIS 113 -10.452 14.736 -14.629 920 1HB HIS 113 1HB HIS 113 -9.796 14.524 -16.989 921 2HB HIS 113 2HB HIS 113 -10.509 12.916 -17.042 922 HD1 HIS 113 HD1 HIS 113 -12.640 13.000 -18.273 923 HD2 HIS 113 HD2 HIS 113 -12.081 16.403 -15.937 924 HE1 HIS 113 HE1 HIS 113 -14.711 14.397 -18.591 925 H HIS 114 H HIS 114 -12.114 14.451 -13.417 926 HA HIS 114 HA HIS 114 -14.015 13.659 -12.507 927 1HB HIS 114 1HB HIS 114 -14.617 13.161 -14.867 928 2HB HIS 114 2HB HIS 114 -13.953 11.545 -14.669 929 HD1 HIS 114 HD1 HIS 114 -16.799 13.722 -13.462 930 HD2 HIS 114 HD2 HIS 114 -15.672 9.718 -13.521 931 HE1 HIS 114 HE1 HIS 114 -18.819 12.434 -12.697 932 H HIS 115 H HIS 115 -13.079 10.430 -13.555 933 HA HIS 115 HA HIS 115 -11.888 9.476 -11.234 934 1HB HIS 115 1HB HIS 115 -14.058 10.258 -10.197 935 2HB HIS 115 2HB HIS 115 -14.891 9.076 -11.194 936 HD1 HIS 115 HD1 HIS 115 -15.022 6.718 -10.320 937 HD2 HIS 115 HD2 HIS 115 -12.371 9.089 -8.157 938 HE1 HIS 115 HE1 HIS 115 -14.455 5.396 -8.260 939 H HIS 116 H HIS 116 -10.852 8.220 -12.791 940 HA HIS 116 HA HIS 116 -12.527 6.348 -14.320 941 1HB HIS 116 1HB HIS 116 -10.946 7.889 -15.547 942 2HB HIS 116 2HB HIS 116 -9.612 7.021 -14.798 943 HD1 HIS 116 HD1 HIS 116 -12.534 6.377 -17.149 944 HD2 HIS 116 HD2 HIS 116 -8.818 4.783 -16.154 945 HE1 HIS 116 HE1 HIS 116 -12.113 4.539 -18.812 946 H HIS 117 H HIS 117 -11.979 5.952 -11.558 947 HA HIS 117 HA HIS 117 -11.192 3.225 -11.661 948 1HB HIS 117 1HB HIS 117 -8.936 4.234 -11.591 949 2HB HIS 117 2HB HIS 117 -9.377 5.118 -10.135 950 HD1 HIS 117 HD1 HIS 117 -9.571 1.434 -11.128 951 HD2 HIS 117 HD2 HIS 117 -8.268 3.869 -8.008 952 HE1 HIS 117 HE1 HIS 117 -8.655 -0.126 -9.373 Start of MODEL 4 1 HA LEU 1 HA LEU 1 2.381 1.405 -1.994 2 1HB LEU 1 1HB LEU 1 1.070 2.484 0.506 3 2HB LEU 1 2HB LEU 1 0.711 3.051 -1.106 4 HG LEU 1 HG LEU 1 -1.040 1.598 -0.566 5 1HD1 LEU 1 1HD1 LEU 1 -0.785 -0.298 -2.102 6 2HD1 LEU 1 2HD1 LEU 1 0.943 0.045 -2.210 7 3HD1 LEU 1 3HD1 LEU 1 -0.230 1.224 -2.798 8 1HD2 LEU 1 1HD2 LEU 1 -0.757 -0.656 0.311 9 2HD2 LEU 1 2HD2 LEU 1 -0.041 0.542 1.390 10 3HD2 LEU 1 3HD2 LEU 1 0.992 -0.432 0.344 11 H ASN 2 H ASN 2 1.908 4.123 -1.865 12 HA ASN 2 HA ASN 2 2.921 6.063 -2.222 13 1HB ASN 2 1HB ASN 2 3.110 5.971 0.260 14 2HB ASN 2 2HB ASN 2 4.742 5.325 0.063 15 1HD2 ASN 2 2HD2 ASN 2 5.590 7.133 1.102 16 2HD2 ASN 2 1HD2 ASN 2 5.698 8.648 0.288 17 H ILE 3 H ILE 3 4.063 6.471 -3.951 18 HA ILE 3 HA ILE 3 5.942 4.598 -4.947 19 HB ILE 3 HB ILE 3 4.391 6.131 -6.284 20 1HG1 ILE 3 1HG1 ILE 3 7.288 5.981 -7.132 21 2HG1 ILE 3 2HG1 ILE 3 6.151 4.642 -7.219 22 1HG2 ILE 3 1HG2 ILE 3 5.008 8.247 -5.268 23 2HG2 ILE 3 2HG2 ILE 3 5.344 8.273 -6.999 24 3HG2 ILE 3 3HG2 ILE 3 6.665 8.065 -5.848 25 1HD1 ILE 3 1HD1 ILE 3 4.788 5.892 -8.795 26 2HD1 ILE 3 2HD1 ILE 3 6.445 5.722 -9.374 27 3HD1 ILE 3 3HD1 ILE 3 5.904 7.254 -8.689 28 H GLU 4 H GLU 4 6.278 7.328 -2.907 29 HA GLU 4 HA GLU 4 8.945 8.064 -3.462 30 1HB GLU 4 1HB GLU 4 7.484 8.163 -0.817 31 2HB GLU 4 2HB GLU 4 8.950 9.044 -1.215 32 1HG GLU 4 1HG GLU 4 7.755 10.332 -2.882 33 2HG GLU 4 2HG GLU 4 6.286 9.410 -2.559 34 H ARG 5 H ARG 5 7.668 5.215 -2.180 35 HA ARG 5 HA ARG 5 10.183 4.582 -0.779 36 1HB ARG 5 1HB ARG 5 7.458 3.335 -0.372 37 2HB ARG 5 2HB ARG 5 8.906 3.024 0.579 38 1HG ARG 5 1HG ARG 5 8.883 5.233 1.476 39 2HG ARG 5 2HG ARG 5 7.598 5.724 0.374 40 1HD ARG 5 1HD ARG 5 6.120 4.038 1.468 41 2HD ARG 5 2HD ARG 5 7.400 3.755 2.648 42 HE ARG 5 HE ARG 5 7.110 6.387 2.877 43 1HH1 ARG 5 1HH1 ARG 5 4.673 3.858 2.735 44 2HH1 ARG 5 2HH1 ARG 5 3.514 4.755 3.674 45 1HH2 ARG 5 1HH2 ARG 5 5.598 7.541 4.129 46 2HH2 ARG 5 2HH2 ARG 5 4.040 6.848 4.458 47 H LEU 6 H LEU 6 8.970 4.297 -3.636 48 HA LEU 6 HA LEU 6 9.255 1.427 -4.055 49 1HB LEU 6 1HB LEU 6 7.430 2.744 -5.137 50 2HB LEU 6 2HB LEU 6 8.648 3.632 -6.023 51 HG LEU 6 HG LEU 6 9.365 1.536 -7.097 52 1HD1 LEU 6 1HD1 LEU 6 8.652 -0.027 -5.364 53 2HD1 LEU 6 2HD1 LEU 6 7.960 -0.450 -6.930 54 3HD1 LEU 6 3HD1 LEU 6 6.966 0.351 -5.715 55 1HD2 LEU 6 1HD2 LEU 6 7.456 1.354 -8.594 56 2HD2 LEU 6 2HD2 LEU 6 7.761 3.040 -8.174 57 3HD2 LEU 6 3HD2 LEU 6 6.435 2.167 -7.407 58 H THR 7 H THR 7 11.005 0.510 -5.121 59 HA THR 7 HA THR 7 13.109 2.379 -5.992 60 HB THR 7 HB THR 7 14.781 0.690 -5.282 61 HG1 THR 7 HG1 THR 7 13.921 -1.220 -4.927 62 1HG2 THR 7 1HG2 THR 7 14.311 2.596 -3.842 63 2HG2 THR 7 2HG2 THR 7 14.625 1.161 -2.866 64 3HG2 THR 7 3HG2 THR 7 12.970 1.725 -3.098 65 H THR 8 H THR 8 11.790 -0.903 -6.396 66 HA THR 8 HA THR 8 13.217 -1.084 -8.953 67 HB THR 8 HB THR 8 13.776 -2.884 -7.414 68 HG1 THR 8 HG1 THR 8 13.676 -4.362 -8.956 69 1HG2 THR 8 1HG2 THR 8 11.728 -2.888 -6.075 70 2HG2 THR 8 2HG2 THR 8 12.102 -4.504 -6.673 71 3HG2 THR 8 3HG2 THR 8 10.832 -3.551 -7.441 72 H LEU 9 H LEU 9 12.145 -2.082 -10.752 73 HA LEU 9 HA LEU 9 9.241 -1.576 -10.782 74 1HB LEU 9 1HB LEU 9 10.847 -0.226 -12.279 75 2HB LEU 9 2HB LEU 9 11.021 -1.702 -13.204 76 HG LEU 9 HG LEU 9 8.469 -1.658 -13.421 77 1HD1 LEU 9 1HD1 LEU 9 8.035 -0.006 -11.688 78 2HD1 LEU 9 2HD1 LEU 9 7.446 0.551 -13.255 79 3HD1 LEU 9 3HD1 LEU 9 8.948 1.197 -12.598 80 1HD2 LEU 9 1HD2 LEU 9 9.959 -1.208 -15.268 81 2HD2 LEU 9 2HD2 LEU 9 10.144 0.464 -14.734 82 3HD2 LEU 9 3HD2 LEU 9 8.580 -0.113 -15.309 83 H GLN 10 H GLN 10 11.132 -3.997 -10.229 84 HA GLN 10 HA GLN 10 10.885 -5.916 -12.206 85 1HB GLN 10 1HB GLN 10 12.325 -6.091 -10.200 86 2HB GLN 10 2HB GLN 10 10.895 -6.417 -9.232 87 1HG GLN 10 1HG GLN 10 12.161 -8.445 -9.806 88 2HG GLN 10 2HG GLN 10 10.502 -8.475 -10.403 89 1HE2 GLN 10 2HE2 GLN 10 10.120 -8.478 -12.574 90 2HE2 GLN 10 1HE2 GLN 10 11.362 -8.690 -13.758 91 HA PRO 11 HA PRO 11 6.663 -7.362 -10.037 92 1HB PRO 11 1HB PRO 11 5.739 -4.602 -9.392 93 2HB PRO 11 2HB PRO 11 5.419 -6.123 -8.549 94 1HG PRO 11 1HG PRO 11 7.159 -4.380 -7.558 95 2HG PRO 11 2HG PRO 11 7.490 -6.122 -7.495 96 1HD PRO 11 1HD PRO 11 8.617 -4.036 -9.310 97 2HD PRO 11 2HD PRO 11 9.413 -5.442 -8.575 98 H VAL 12 H VAL 12 7.324 -4.483 -11.937 99 HA VAL 12 HA VAL 12 4.844 -4.625 -13.407 100 HB VAL 12 HB VAL 12 7.380 -3.083 -13.978 101 1HG1 VAL 12 1HG1 VAL 12 6.061 -1.821 -15.598 102 2HG1 VAL 12 2HG1 VAL 12 4.672 -2.865 -15.296 103 3HG1 VAL 12 3HG1 VAL 12 6.128 -3.528 -16.039 104 1HG2 VAL 12 1HG2 VAL 12 4.728 -2.241 -12.825 105 2HG2 VAL 12 2HG2 VAL 12 6.054 -1.153 -13.234 106 3HG2 VAL 12 3HG2 VAL 12 6.260 -2.354 -11.961 107 H TRP 13 H TRP 13 8.237 -5.509 -13.994 108 HA TRP 13 HA TRP 13 7.872 -6.522 -16.598 109 1HB TRP 13 1HB TRP 13 9.895 -7.360 -14.504 110 2HB TRP 13 2HB TRP 13 9.997 -7.712 -16.228 111 HD1 TRP 13 HD1 TRP 13 11.421 -5.425 -13.845 112 HE1 TRP 13 HE1 TRP 13 12.259 -3.260 -14.964 113 HE3 TRP 13 HE3 TRP 13 9.033 -5.859 -18.331 114 HZ2 TRP 13 HZ2 TRP 13 11.933 -1.908 -17.410 115 HZ3 TRP 13 HZ3 TRP 13 9.348 -4.090 -20.016 116 HH2 TRP 13 HH2 TRP 13 10.772 -2.154 -19.565 117 H ASP 14 H ASP 14 7.357 -7.847 -13.433 118 HA ASP 14 HA ASP 14 6.881 -10.534 -14.142 119 1HB ASP 14 1HB ASP 14 7.203 -9.781 -11.815 120 2HB ASP 14 2HB ASP 14 5.671 -8.915 -11.886 121 H ARG 15 H ARG 15 4.665 -7.786 -13.724 122 HA ARG 15 HA ARG 15 2.286 -8.952 -14.566 123 1HB ARG 15 1HB ARG 15 3.335 -6.156 -15.033 124 2HB ARG 15 2HB ARG 15 1.684 -6.645 -15.366 125 1HG ARG 15 1HG ARG 15 2.762 -7.090 -12.637 126 2HG ARG 15 2HG ARG 15 2.344 -5.450 -13.127 127 1HD ARG 15 1HD ARG 15 0.097 -6.341 -13.812 128 2HD ARG 15 2HD ARG 15 0.546 -7.860 -13.039 129 HE ARG 15 HE ARG 15 0.853 -6.450 -10.962 130 1HH1 ARG 15 1HH1 ARG 15 -1.417 -5.588 -13.487 131 2HH1 ARG 15 2HH1 ARG 15 -2.463 -4.682 -12.435 132 1HH2 ARG 15 1HH2 ARG 15 -0.516 -5.278 -9.565 133 2HH2 ARG 15 2HH2 ARG 15 -1.952 -4.516 -10.183 134 H TYR 16 H TYR 16 4.832 -7.413 -16.444 135 HA TYR 16 HA TYR 16 3.677 -7.496 -18.971 136 1HB TYR 16 1HB TYR 16 5.756 -6.267 -18.253 137 2HB TYR 16 2HB TYR 16 6.618 -7.796 -18.338 138 HD1 TYR 16 HD1 TYR 16 4.558 -5.496 -20.417 139 HD2 TYR 16 HD2 TYR 16 7.640 -8.421 -20.330 140 HE1 TYR 16 HE1 TYR 16 5.023 -5.062 -22.792 141 HE2 TYR 16 HE2 TYR 16 8.110 -8.005 -22.708 142 HH TYR 16 HH TYR 16 6.701 -5.322 -24.406 143 H ASP 17 H ASP 17 5.983 -9.822 -17.540 144 HA ASP 17 HA ASP 17 5.937 -11.594 -19.727 145 1HB ASP 17 1HB ASP 17 7.698 -11.608 -17.980 146 2HB ASP 17 2HB ASP 17 6.534 -12.276 -16.841 147 H THR 18 H THR 18 4.049 -11.518 -16.745 148 HA THR 18 HA THR 18 2.819 -14.009 -17.005 149 HB THR 18 HB THR 18 1.724 -11.506 -15.691 150 HG1 THR 18 HG1 THR 18 3.658 -12.035 -14.723 151 1HG2 THR 18 1HG2 THR 18 0.400 -13.031 -14.318 152 2HG2 THR 18 2HG2 THR 18 1.020 -14.406 -15.234 153 3HG2 THR 18 3HG2 THR 18 -0.008 -13.211 -16.025 154 H GLN 19 H GLN 19 2.176 -11.029 -18.685 155 HA GLN 19 HA GLN 19 -0.324 -12.065 -19.758 156 1HB GLN 19 1HB GLN 19 1.103 -9.498 -20.452 157 2HB GLN 19 2HB GLN 19 -0.555 -9.921 -20.859 158 1HG GLN 19 1HG GLN 19 -1.160 -9.889 -18.502 159 2HG GLN 19 2HG GLN 19 0.506 -9.511 -18.070 160 1HE2 GLN 19 2HE2 GLN 19 1.344 -7.474 -18.610 161 2HE2 GLN 19 1HE2 GLN 19 0.311 -6.122 -18.926 162 H ILE 20 H ILE 20 2.813 -10.998 -20.914 163 HA ILE 20 HA ILE 20 2.466 -11.580 -23.617 164 HB ILE 20 HB ILE 20 4.921 -11.394 -21.907 165 1HG1 ILE 20 1HG1 ILE 20 3.719 -9.327 -22.030 166 2HG1 ILE 20 2HG1 ILE 20 5.140 -9.184 -23.060 167 1HG2 ILE 20 1HG2 ILE 20 6.227 -11.142 -23.977 168 2HG2 ILE 20 2HG2 ILE 20 4.786 -11.517 -24.921 169 3HG2 ILE 20 3HG2 ILE 20 5.485 -12.735 -23.854 170 1HD1 ILE 20 1HD1 ILE 20 2.349 -9.769 -24.011 171 2HD1 ILE 20 2HD1 ILE 20 3.777 -9.565 -25.025 172 3HD1 ILE 20 3HD1 ILE 20 3.161 -8.206 -24.085 173 H HIS 21 H HIS 21 3.679 -13.630 -20.991 174 HA HIS 21 HA HIS 21 4.841 -15.602 -22.653 175 1HB HIS 21 1HB HIS 21 5.318 -16.791 -20.701 176 2HB HIS 21 2HB HIS 21 5.235 -15.139 -20.129 177 HD1 HIS 21 HD1 HIS 21 4.581 -18.109 -18.731 178 HD2 HIS 21 HD2 HIS 21 2.025 -14.930 -19.550 179 HE1 HIS 21 HE1 HIS 21 2.639 -18.373 -17.154 180 H ASN 22 H ASN 22 1.606 -14.906 -22.132 181 HA ASN 22 HA ASN 22 0.623 -17.627 -22.254 182 1HB ASN 22 1HB ASN 22 -0.457 -15.516 -21.121 183 2HB ASN 22 2HB ASN 22 -1.075 -15.195 -22.733 184 1HD2 ASN 22 2HD2 ASN 22 -1.464 -18.004 -23.417 185 2HD2 ASN 22 1HD2 ASN 22 -2.828 -18.534 -22.489 186 H GLN 23 H GLN 23 1.635 -15.209 -24.429 187 HA GLN 23 HA GLN 23 1.590 -14.951 -26.684 188 1HB GLN 23 1HB GLN 23 1.142 -17.940 -26.574 189 2HB GLN 23 2HB GLN 23 1.535 -17.046 -28.036 190 1HG GLN 23 1HG GLN 23 3.655 -16.344 -27.024 191 2HG GLN 23 2HG GLN 23 3.262 -17.282 -25.582 192 1HE2 GLN 23 2HE2 GLN 23 3.315 -19.522 -25.672 193 2HE2 GLN 23 1HE2 GLN 23 4.093 -20.374 -26.962 194 H LYS 24 H LYS 24 -0.788 -14.399 -25.353 195 HA LYS 24 HA LYS 24 -2.791 -15.087 -27.391 196 1HB LYS 24 1HB LYS 24 -3.354 -16.353 -25.427 197 2HB LYS 24 2HB LYS 24 -3.118 -14.953 -24.389 198 1HG LYS 24 1HG LYS 24 -5.039 -13.873 -25.590 199 2HG LYS 24 2HG LYS 24 -5.333 -15.431 -26.364 200 1HD LYS 24 1HD LYS 24 -5.758 -16.478 -24.262 201 2HD LYS 24 2HD LYS 24 -5.209 -15.054 -23.377 202 1HE LYS 24 1HE LYS 24 -7.090 -13.788 -24.459 203 2HE LYS 24 2HE LYS 24 -7.686 -15.333 -25.066 204 1HZ LYS 24 1HZ LYS 24 -7.204 -14.813 -22.189 205 2HZ LYS 24 2HZ LYS 24 -8.065 -16.101 -22.881 206 3HZ LYS 24 3HZ LYS 24 -8.699 -14.531 -22.937 207 H ASP 25 H ASP 25 -3.507 -13.311 -28.406 208 HA ASP 25 HA ASP 25 -3.020 -10.694 -27.320 209 1HB ASP 25 1HB ASP 25 -4.073 -9.834 -29.345 210 2HB ASP 25 2HB ASP 25 -2.902 -11.082 -29.748 211 H ASN 26 H ASN 26 -4.481 -9.269 -26.457 212 HA ASN 26 HA ASN 26 -7.173 -10.259 -25.893 213 1HB ASN 26 1HB ASN 26 -5.892 -11.175 -24.077 214 2HB ASN 26 2HB ASN 26 -5.070 -9.645 -23.811 215 1HD2 ASN 26 2HD2 ASN 26 -5.663 -9.525 -21.690 216 2HD2 ASN 26 1HD2 ASN 26 -7.281 -9.202 -21.170 217 H ASP 27 H ASP 27 -8.648 -8.680 -25.820 218 HA ASP 27 HA ASP 27 -7.784 -5.928 -25.242 219 1HB ASP 27 1HB ASP 27 -9.053 -5.015 -27.056 220 2HB ASP 27 2HB ASP 27 -8.055 -6.296 -27.737 221 H ASN 28 H ASN 28 -9.417 -8.332 -24.077 222 HA ASN 28 HA ASN 28 -12.126 -7.484 -24.000 223 1HB ASN 28 1HB ASN 28 -10.642 -9.470 -22.274 224 2HB ASN 28 2HB ASN 28 -12.383 -9.219 -22.228 225 1HD2 ASN 28 2HD2 ASN 28 -12.564 -8.767 -25.108 226 2HD2 ASN 28 1HD2 ASN 28 -12.385 -10.326 -25.839 227 H GLU 29 H GLU 29 -9.498 -7.270 -21.617 228 HA GLU 29 HA GLU 29 -11.039 -5.180 -20.271 229 1HB GLU 29 1HB GLU 29 -9.608 -7.451 -18.880 230 2HB GLU 29 2HB GLU 29 -10.270 -6.040 -18.066 231 1HG GLU 29 1HG GLU 29 -12.513 -6.655 -18.877 232 2HG GLU 29 2HG GLU 29 -11.823 -8.099 -19.619 233 H VAL 30 H VAL 30 -9.772 -3.727 -21.339 234 HA VAL 30 HA VAL 30 -7.231 -3.156 -20.036 235 HB VAL 30 HB VAL 30 -6.569 -4.506 -21.975 236 1HG1 VAL 30 1HG1 VAL 30 -8.026 -2.460 -23.638 237 2HG1 VAL 30 2HG1 VAL 30 -8.481 -4.149 -23.408 238 3HG1 VAL 30 3HG1 VAL 30 -6.995 -3.746 -24.268 239 1HG2 VAL 30 1HG2 VAL 30 -5.047 -2.746 -21.344 240 2HG2 VAL 30 2HG2 VAL 30 -5.923 -1.585 -22.342 241 3HG2 VAL 30 3HG2 VAL 30 -5.055 -2.923 -23.098 242 HA PRO 31 HA PRO 31 -9.046 0.887 -20.477 243 1HB PRO 31 1HB PRO 31 -6.918 2.463 -19.905 244 2HB PRO 31 2HB PRO 31 -7.791 1.546 -18.677 245 1HG PRO 31 1HG PRO 31 -5.196 0.930 -20.013 246 2HG PRO 31 2HG PRO 31 -5.678 0.681 -18.325 247 1HD PRO 31 1HD PRO 31 -5.618 -1.303 -20.218 248 2HD PRO 31 2HD PRO 31 -6.650 -1.339 -18.781 249 H VAL 32 H VAL 32 -7.673 -0.490 -22.697 250 HA VAL 32 HA VAL 32 -6.978 -0.206 -24.804 251 HB VAL 32 HB VAL 32 -8.976 2.033 -24.727 252 1HG1 VAL 32 1HG1 VAL 32 -7.993 0.354 -27.035 253 2HG1 VAL 32 2HG1 VAL 32 -7.640 2.061 -26.767 254 3HG1 VAL 32 3HG1 VAL 32 -9.291 1.546 -27.110 255 1HG2 VAL 32 1HG2 VAL 32 -10.595 0.334 -25.432 256 2HG2 VAL 32 2HG2 VAL 32 -9.912 -0.032 -23.847 257 3HG2 VAL 32 3HG2 VAL 32 -9.352 -0.909 -25.272 258 H HIS 33 H HIS 33 -7.583 3.219 -24.507 259 HA HIS 33 HA HIS 33 -6.326 4.995 -25.141 260 1HB HIS 33 1HB HIS 33 -4.388 3.247 -23.777 261 2HB HIS 33 2HB HIS 33 -3.677 4.386 -24.904 262 HD1 HIS 33 HD1 HIS 33 -3.422 6.748 -24.122 263 HD2 HIS 33 HD2 HIS 33 -5.931 4.515 -21.670 264 HE1 HIS 33 HE1 HIS 33 -3.885 8.205 -22.123 265 H GLN 34 H GLN 34 -6.937 4.872 -27.275 266 HA GLN 34 HA GLN 34 -5.883 3.095 -29.163 267 1HB GLN 34 1HB GLN 34 -6.623 4.911 -30.849 268 2HB GLN 34 2HB GLN 34 -7.842 4.101 -29.883 269 1HG GLN 34 1HG GLN 34 -6.687 6.732 -29.040 270 2HG GLN 34 2HG GLN 34 -8.004 6.636 -30.207 271 1HE2 GLN 34 2HE2 GLN 34 -10.004 5.791 -29.535 272 2HE2 GLN 34 1HE2 GLN 34 -10.453 5.753 -27.866 273 H VAL 35 H VAL 35 -3.874 2.867 -29.638 274 HA VAL 35 HA VAL 35 -1.848 4.631 -28.930 275 HB VAL 35 HB VAL 35 -1.600 2.494 -31.039 276 1HG1 VAL 35 1HG1 VAL 35 0.706 2.329 -30.187 277 2HG1 VAL 35 2HG1 VAL 35 0.377 3.677 -29.095 278 3HG1 VAL 35 3HG1 VAL 35 0.343 3.926 -30.842 279 1HG2 VAL 35 1HG2 VAL 35 -1.457 2.201 -28.042 280 2HG2 VAL 35 2HG2 VAL 35 -1.060 0.946 -29.215 281 3HG2 VAL 35 3HG2 VAL 35 -2.714 1.547 -29.093 282 H SER 36 H SER 36 -0.699 6.098 -29.930 283 HA SER 36 HA SER 36 -0.710 6.487 -32.772 284 1HB SER 36 1HB SER 36 -2.748 7.723 -32.131 285 2HB SER 36 2HB SER 36 -1.839 8.607 -30.908 286 HG SER 36 HG SER 36 -2.111 9.807 -32.845 287 H TYR 37 H TYR 37 0.913 8.293 -33.280 288 HA TYR 37 HA TYR 37 3.250 7.987 -31.747 289 1HB TYR 37 1HB TYR 37 3.043 8.804 -34.171 290 2HB TYR 37 2HB TYR 37 2.680 10.386 -33.490 291 HD1 TYR 37 HD1 TYR 37 5.271 7.716 -33.548 292 HD2 TYR 37 HD2 TYR 37 4.421 11.827 -32.835 293 HE1 TYR 37 HE1 TYR 37 7.680 8.179 -33.378 294 HE2 TYR 37 HE2 TYR 37 6.830 12.299 -32.667 295 HH TYR 37 HH TYR 37 9.227 10.023 -33.603 296 H THR 38 H THR 38 0.639 10.303 -31.681 297 HA THR 38 HA THR 38 1.667 12.088 -29.751 298 HB THR 38 HB THR 38 -1.254 11.377 -30.025 299 HG1 THR 38 HG1 THR 38 0.491 12.533 -31.897 300 1HG2 THR 38 1HG2 THR 38 -0.681 13.002 -28.301 301 2HG2 THR 38 2HG2 THR 38 -1.546 13.791 -29.620 302 3HG2 THR 38 3HG2 THR 38 0.202 13.973 -29.481 303 H ASN 39 H ASN 39 -0.545 9.330 -29.472 304 HA ASN 39 HA ASN 39 -1.034 9.531 -26.737 305 1HB ASN 39 1HB ASN 39 -1.982 7.976 -28.776 306 2HB ASN 39 2HB ASN 39 -1.098 6.796 -27.810 307 1HD2 ASN 39 2HD2 ASN 39 -3.697 9.081 -27.867 308 2HD2 ASN 39 1HD2 ASN 39 -4.522 8.487 -26.469 309 H LEU 40 H LEU 40 1.424 7.678 -28.483 310 HA LEU 40 HA LEU 40 2.453 6.261 -26.300 311 1HB LEU 40 1HB LEU 40 3.744 7.264 -28.825 312 2HB LEU 40 2HB LEU 40 4.610 6.291 -27.651 313 HG LEU 40 HG LEU 40 2.089 5.389 -29.043 314 1HD1 LEU 40 1HD1 LEU 40 3.566 3.983 -30.395 315 2HD1 LEU 40 2HD1 LEU 40 4.970 4.762 -29.664 316 3HD1 LEU 40 3HD1 LEU 40 3.865 5.699 -30.670 317 1HD2 LEU 40 1HD2 LEU 40 2.514 4.305 -26.898 318 2HD2 LEU 40 2HD2 LEU 40 4.149 3.897 -27.424 319 3HD2 LEU 40 3HD2 LEU 40 2.755 3.183 -28.237 320 H ALA 41 H ALA 41 3.421 9.414 -27.637 321 HA ALA 41 HA ALA 41 5.418 9.951 -25.721 322 1HB ALA 41 1HB ALA 41 3.786 11.907 -27.341 323 2HB ALA 41 2HB ALA 41 5.280 11.128 -27.863 324 3HB ALA 41 3HB ALA 41 5.300 12.256 -26.509 325 H GLU 42 H GLU 42 1.949 10.532 -25.763 326 HA GLU 42 HA GLU 42 1.850 12.170 -23.455 327 1HB GLU 42 1HB GLU 42 -0.261 10.413 -24.715 328 2HB GLU 42 2HB GLU 42 -0.572 11.559 -23.420 329 1HG GLU 42 1HG GLU 42 0.329 12.164 -26.222 330 2HG GLU 42 2HG GLU 42 -1.209 12.581 -25.465 331 H MET 43 H MET 43 1.400 8.684 -23.938 332 HA MET 43 HA MET 43 0.963 8.117 -21.192 333 1HB MET 43 1HB MET 43 1.714 6.394 -23.542 334 2HB MET 43 2HB MET 43 1.562 5.736 -21.917 335 1HG MET 43 1HG MET 43 -0.755 6.498 -21.822 336 2HG MET 43 2HG MET 43 -0.601 7.166 -23.445 337 1HE MET 43 1HE MET 43 0.895 5.134 -25.166 338 2HE MET 43 2HE MET 43 -0.668 5.807 -25.632 339 3HE MET 43 3HE MET 43 -0.396 4.068 -25.720 340 H VAL 44 H VAL 44 3.872 8.171 -23.207 341 HA VAL 44 HA VAL 44 5.666 7.312 -21.196 342 HB VAL 44 HB VAL 44 6.085 9.117 -23.589 343 1HG1 VAL 44 1HG1 VAL 44 7.744 9.699 -21.912 344 2HG1 VAL 44 2HG1 VAL 44 8.498 8.808 -23.236 345 3HG1 VAL 44 3HG1 VAL 44 8.159 7.997 -21.707 346 1HG2 VAL 44 1HG2 VAL 44 5.565 6.803 -24.127 347 2HG2 VAL 44 2HG2 VAL 44 6.844 6.246 -23.048 348 3HG2 VAL 44 3HG2 VAL 44 7.253 7.155 -24.503 349 H GLY 45 H GLY 45 4.309 10.445 -22.047 350 1HA GLY 45 1HA GLY 45 5.806 12.046 -20.300 351 2HA GLY 45 2HA GLY 45 4.208 12.432 -20.921 352 H GLU 46 H GLU 46 2.620 10.501 -19.796 353 HA GLU 46 HA GLU 46 2.318 11.502 -17.172 354 1HB GLU 46 1HB GLU 46 0.513 9.867 -16.920 355 2HB GLU 46 2HB GLU 46 0.398 10.725 -18.448 356 1HG GLU 46 1HG GLU 46 1.436 8.773 -19.564 357 2HG GLU 46 2HG GLU 46 1.393 7.917 -18.022 358 H MET 47 H MET 47 3.895 8.628 -18.434 359 HA MET 47 HA MET 47 4.322 7.327 -15.967 360 1HB MET 47 1HB MET 47 5.890 7.294 -18.542 361 2HB MET 47 2HB MET 47 6.328 6.308 -17.150 362 1HG MET 47 1HG MET 47 3.768 6.199 -18.720 363 2HG MET 47 2HG MET 47 5.055 4.993 -18.689 364 1HE MET 47 1HE MET 47 2.060 3.248 -16.862 365 2HE MET 47 2HE MET 47 3.221 3.130 -18.185 366 3HE MET 47 3HE MET 47 1.975 4.380 -18.210 367 H ASN 48 H ASN 48 6.227 9.713 -17.739 368 HA ASN 48 HA ASN 48 8.363 9.857 -15.906 369 1HB ASN 48 1HB ASN 48 7.339 11.671 -18.058 370 2HB ASN 48 2HB ASN 48 8.572 12.258 -16.948 371 1HD2 ASN 48 2HD2 ASN 48 7.843 10.013 -19.506 372 2HD2 ASN 48 1HD2 ASN 48 9.484 9.571 -19.846 373 H LYS 49 H LYS 49 5.164 11.139 -15.821 374 HA LYS 49 HA LYS 49 5.667 13.116 -13.797 375 1HB LYS 49 1HB LYS 49 3.095 11.794 -14.681 376 2HB LYS 49 2HB LYS 49 3.189 13.137 -13.556 377 1HG LYS 49 1HG LYS 49 4.144 13.233 -16.406 378 2HG LYS 49 2HG LYS 49 2.566 13.793 -15.853 379 1HD LYS 49 1HD LYS 49 3.784 15.321 -14.269 380 2HD LYS 49 2HD LYS 49 5.274 14.875 -15.104 381 1HE LYS 49 1HE LYS 49 4.315 15.689 -17.212 382 2HE LYS 49 2HE LYS 49 2.849 16.163 -16.355 383 1HZ LYS 49 1HZ LYS 49 4.253 18.065 -16.634 384 2HZ LYS 49 2HZ LYS 49 5.577 17.261 -15.948 385 3HZ LYS 49 3HZ LYS 49 4.237 17.653 -14.988 386 H LEU 50 H LEU 50 4.438 9.801 -13.867 387 HA LEU 50 HA LEU 50 3.526 9.724 -11.216 388 1HB LEU 50 1HB LEU 50 4.409 7.429 -12.956 389 2HB LEU 50 2HB LEU 50 3.429 7.299 -11.509 390 HG LEU 50 HG LEU 50 2.602 8.732 -14.032 391 1HD1 LEU 50 1HD1 LEU 50 1.823 6.030 -12.957 392 2HD1 LEU 50 2HD1 LEU 50 2.734 6.362 -14.430 393 3HD1 LEU 50 3HD1 LEU 50 1.044 6.848 -14.312 394 1HD2 LEU 50 1HD2 LEU 50 0.382 8.780 -13.005 395 2HD2 LEU 50 2HD2 LEU 50 1.559 9.668 -12.041 396 3HD2 LEU 50 3HD2 LEU 50 1.046 8.059 -11.538 397 H LEU 51 H LEU 51 6.692 8.790 -12.570 398 HA LEU 51 HA LEU 51 7.371 7.712 -9.923 399 1HB LEU 51 1HB LEU 51 9.244 6.536 -11.278 400 2HB LEU 51 2HB LEU 51 7.610 5.908 -11.305 401 HG LEU 51 HG LEU 51 7.272 7.074 -13.499 402 1HD1 LEU 51 1HD1 LEU 51 10.256 7.501 -13.312 403 2HD1 LEU 51 2HD1 LEU 51 9.022 8.760 -13.317 404 3HD1 LEU 51 3HD1 LEU 51 9.268 7.762 -14.748 405 1HD2 LEU 51 1HD2 LEU 51 7.751 4.705 -13.407 406 2HD2 LEU 51 2HD2 LEU 51 9.484 5.031 -13.333 407 3HD2 LEU 51 3HD2 LEU 51 8.573 5.434 -14.788 408 H GLU 52 H GLU 52 7.665 10.507 -11.166 409 HA GLU 52 HA GLU 52 10.346 11.194 -11.305 410 1HB GLU 52 1HB GLU 52 7.828 12.588 -10.863 411 2HB GLU 52 2HB GLU 52 9.189 13.363 -10.083 412 1HG GLU 52 1HG GLU 52 8.974 12.671 -12.994 413 2HG GLU 52 2HG GLU 52 8.821 14.274 -12.284 414 HA PRO 53 HA PRO 53 10.578 11.865 -6.611 415 1HB PRO 53 1HB PRO 53 8.234 11.109 -5.187 416 2HB PRO 53 2HB PRO 53 8.817 12.742 -5.505 417 1HG PRO 53 1HG PRO 53 6.490 11.636 -6.544 418 2HG PRO 53 2HG PRO 53 7.329 13.057 -7.189 419 1HD PRO 53 1HD PRO 53 7.405 10.218 -8.118 420 2HD PRO 53 2HD PRO 53 7.427 11.720 -9.068 421 H SER 54 H SER 54 10.254 9.139 -8.105 422 HA SER 54 HA SER 54 10.291 7.401 -5.733 423 1HB SER 54 1HB SER 54 8.692 6.931 -7.662 424 2HB SER 54 2HB SER 54 10.110 6.496 -8.609 425 HG SER 54 HG SER 54 9.161 5.277 -6.238 426 H GLN 55 H GLN 55 11.842 5.556 -5.830 427 HA GLN 55 HA GLN 55 14.478 6.521 -6.539 428 1HB GLN 55 1HB GLN 55 13.469 4.116 -5.046 429 2HB GLN 55 2HB GLN 55 15.134 4.186 -5.600 430 1HG GLN 55 1HG GLN 55 15.167 4.905 -3.377 431 2HG GLN 55 2HG GLN 55 15.331 6.360 -4.351 432 1HE2 GLN 55 2HE2 GLN 55 12.308 4.640 -3.818 433 2HE2 GLN 55 1HE2 GLN 55 11.563 5.892 -2.875 434 H VAL 56 H VAL 56 12.068 4.976 -8.157 435 HA VAL 56 HA VAL 56 13.582 3.048 -9.631 436 HB VAL 56 HB VAL 56 10.962 4.339 -10.418 437 1HG1 VAL 56 1HG1 VAL 56 12.209 1.714 -11.212 438 2HG1 VAL 56 2HG1 VAL 56 12.047 3.144 -12.233 439 3HG1 VAL 56 3HG1 VAL 56 10.608 2.279 -11.691 440 1HG2 VAL 56 1HG2 VAL 56 9.866 2.428 -9.359 441 2HG2 VAL 56 2HG2 VAL 56 10.780 3.379 -8.188 442 3HG2 VAL 56 3HG2 VAL 56 11.430 1.852 -8.782 443 H HIS 57 H HIS 57 15.386 4.160 -10.445 444 HA HIS 57 HA HIS 57 14.953 6.479 -12.133 445 1HB HIS 57 1HB HIS 57 17.435 5.069 -11.183 446 2HB HIS 57 2HB HIS 57 17.499 6.265 -12.469 447 HD1 HIS 57 HD1 HIS 57 16.586 8.723 -11.775 448 HD2 HIS 57 HD2 HIS 57 17.491 6.101 -8.674 449 HE1 HIS 57 HE1 HIS 57 16.873 10.157 -9.733 450 H LEU 58 H LEU 58 13.565 5.029 -13.493 451 HA LEU 58 HA LEU 58 15.247 3.948 -15.647 452 1HB LEU 58 1HB LEU 58 12.573 3.045 -14.636 453 2HB LEU 58 2HB LEU 58 13.014 2.767 -16.310 454 HG LEU 58 HG LEU 58 15.061 1.549 -15.467 455 1HD1 LEU 58 1HD1 LEU 58 13.595 1.684 -12.840 456 2HD1 LEU 58 2HD1 LEU 58 15.128 2.471 -13.213 457 3HD1 LEU 58 3HD1 LEU 58 15.024 0.710 -13.181 458 1HD2 LEU 58 1HD2 LEU 58 12.371 0.438 -14.689 459 2HD2 LEU 58 2HD2 LEU 58 13.839 -0.496 -14.980 460 3HD2 LEU 58 3HD2 LEU 58 13.083 0.393 -16.303 461 H LYS 59 H LYS 59 15.215 5.078 -17.448 462 HA LYS 59 HA LYS 59 13.192 7.183 -17.713 463 1HB LYS 59 1HB LYS 59 15.905 6.878 -19.017 464 2HB LYS 59 2HB LYS 59 14.810 8.231 -19.269 465 1HG LYS 59 1HG LYS 59 15.025 8.925 -16.998 466 2HG LYS 59 2HG LYS 59 15.909 7.459 -16.579 467 1HD LYS 59 1HD LYS 59 16.864 9.602 -18.474 468 2HD LYS 59 2HD LYS 59 17.391 9.407 -16.800 469 1HE LYS 59 1HE LYS 59 18.118 7.064 -17.453 470 2HE LYS 59 2HE LYS 59 17.859 7.555 -19.128 471 1HZ LYS 59 1HZ LYS 59 20.136 7.883 -18.614 472 2HZ LYS 59 2HZ LYS 59 19.780 8.713 -17.183 473 3HZ LYS 59 3HZ LYS 59 19.433 9.423 -18.688 474 H PHE 60 H PHE 60 11.681 7.037 -19.204 475 HA PHE 60 HA PHE 60 11.994 5.028 -21.331 476 1HB PHE 60 1HB PHE 60 9.435 6.161 -20.169 477 2HB PHE 60 2HB PHE 60 9.550 4.893 -21.382 478 HD1 PHE 60 HD1 PHE 60 9.622 5.693 -17.871 479 HD2 PHE 60 HD2 PHE 60 10.469 2.676 -20.748 480 HE1 PHE 60 HE1 PHE 60 9.639 4.004 -16.084 481 HE2 PHE 60 HE2 PHE 60 10.490 0.978 -18.967 482 HZ PHE 60 HZ PHE 60 10.074 1.640 -16.632 483 H GLU 61 H GLU 61 12.148 5.792 -23.353 484 HA GLU 61 HA GLU 61 10.901 8.394 -23.952 485 1HB GLU 61 1HB GLU 61 13.622 7.414 -24.803 486 2HB GLU 61 2HB GLU 61 12.796 8.745 -25.593 487 1HG GLU 61 1HG GLU 61 12.748 9.902 -23.370 488 2HG GLU 61 2HG GLU 61 13.800 8.620 -22.764 489 H LEU 62 H LEU 62 9.807 8.523 -25.843 490 HA LEU 62 HA LEU 62 9.582 6.119 -27.471 491 1HB LEU 62 1HB LEU 62 7.532 7.346 -26.977 492 2HB LEU 62 2HB LEU 62 8.212 8.809 -27.666 493 HG LEU 62 HG LEU 62 8.337 7.593 -29.881 494 1HD1 LEU 62 1HD1 LEU 62 6.612 5.602 -28.419 495 2HD1 LEU 62 2HD1 LEU 62 8.238 5.319 -29.042 496 3HD1 LEU 62 3HD1 LEU 62 6.909 5.631 -30.157 497 1HD2 LEU 62 1HD2 LEU 62 6.596 9.224 -29.366 498 2HD2 LEU 62 2HD2 LEU 62 5.606 7.947 -28.658 499 3HD2 LEU 62 3HD2 LEU 62 5.984 7.918 -30.382 500 H HIS 63 H HIS 63 11.427 5.896 -28.642 501 HA HIS 63 HA HIS 63 12.146 8.184 -30.345 502 1HB HIS 63 1HB HIS 63 13.895 6.298 -28.842 503 2HB HIS 63 2HB HIS 63 14.458 6.894 -30.398 504 HD1 HIS 63 HD1 HIS 63 14.867 9.481 -30.592 505 HD2 HIS 63 HD2 HIS 63 14.013 8.109 -26.760 506 HE1 HIS 63 HE1 HIS 63 15.517 11.360 -29.036 507 H ASP 64 H ASP 64 11.465 7.845 -32.283 508 HA ASP 64 HA ASP 64 11.166 5.205 -33.390 509 1HB ASP 64 1HB ASP 64 10.305 6.325 -35.356 510 2HB ASP 64 2HB ASP 64 9.605 7.081 -33.933 511 H LYS 65 H LYS 65 12.400 4.278 -35.010 512 HA LYS 65 HA LYS 65 15.074 5.381 -35.348 513 1HB LYS 65 1HB LYS 65 15.585 3.258 -36.480 514 2HB LYS 65 2HB LYS 65 14.860 2.981 -34.902 515 1HG LYS 65 1HG LYS 65 12.738 2.470 -35.914 516 2HG LYS 65 2HG LYS 65 13.365 2.876 -37.510 517 1HD LYS 65 1HD LYS 65 13.312 0.480 -37.238 518 2HD LYS 65 2HD LYS 65 14.987 1.032 -37.305 519 1HE LYS 65 1HE LYS 65 15.241 0.789 -34.955 520 2HE LYS 65 2HE LYS 65 13.511 0.531 -34.736 521 1HZ LYS 65 1HZ LYS 65 15.273 -1.292 -36.274 522 2HZ LYS 65 2HZ LYS 65 13.656 -1.565 -35.836 523 3HZ LYS 65 3HZ LYS 65 14.868 -1.527 -34.643 524 H LEU 66 H LEU 66 12.137 4.893 -37.094 525 HA LEU 66 HA LEU 66 12.661 6.695 -39.152 526 1HB LEU 66 1HB LEU 66 14.078 4.412 -39.565 527 2HB LEU 66 2HB LEU 66 12.565 3.991 -40.347 528 HG LEU 66 HG LEU 66 14.128 6.473 -40.985 529 1HD1 LEU 66 1HD1 LEU 66 14.120 3.810 -42.398 530 2HD1 LEU 66 2HD1 LEU 66 15.469 4.503 -41.497 531 3HD1 LEU 66 3HD1 LEU 66 14.904 5.279 -42.978 532 1HD2 LEU 66 1HD2 LEU 66 11.733 6.541 -41.550 533 2HD2 LEU 66 2HD2 LEU 66 11.926 5.062 -42.492 534 3HD2 LEU 66 3HD2 LEU 66 12.752 6.539 -42.990 535 H ASN 67 H ASN 67 11.233 3.453 -39.116 536 HA ASN 67 HA ASN 67 8.559 4.674 -39.326 537 1HB ASN 67 1HB ASN 67 9.523 1.938 -40.196 538 2HB ASN 67 2HB ASN 67 7.850 2.478 -40.271 539 1HD2 ASN 67 2HD2 ASN 67 9.804 1.646 -42.347 540 2HD2 ASN 67 1HD2 ASN 67 9.801 2.940 -43.503 541 H GLU 68 H GLU 68 10.512 2.187 -37.807 542 HA GLU 68 HA GLU 68 8.472 1.345 -35.980 543 1HB GLU 68 1HB GLU 68 11.459 0.925 -35.913 544 2HB GLU 68 2HB GLU 68 10.293 0.100 -34.890 545 1HG GLU 68 1HG GLU 68 9.534 -1.230 -36.583 546 2HG GLU 68 2HG GLU 68 9.968 -0.073 -37.841 547 H TYR 69 H TYR 69 7.741 2.831 -34.606 548 HA TYR 69 HA TYR 69 9.691 4.293 -32.972 549 1HB TYR 69 1HB TYR 69 7.501 5.482 -32.161 550 2HB TYR 69 2HB TYR 69 8.228 5.936 -33.691 551 HD1 TYR 69 HD1 TYR 69 7.117 5.491 -35.776 552 HD2 TYR 69 HD2 TYR 69 5.400 4.189 -32.110 553 HE1 TYR 69 HE1 TYR 69 4.985 5.080 -36.928 554 HE2 TYR 69 HE2 TYR 69 3.264 3.770 -33.253 555 HH TYR 69 HH TYR 69 2.083 4.569 -35.303 556 H TYR 70 H TYR 70 10.138 3.485 -31.042 557 HA TYR 70 HA TYR 70 8.029 2.072 -29.597 558 1HB TYR 70 1HB TYR 70 9.681 0.295 -28.938 559 2HB TYR 70 2HB TYR 70 9.170 0.250 -30.618 560 HD1 TYR 70 HD1 TYR 70 11.945 1.425 -28.423 561 HD2 TYR 70 HD2 TYR 70 10.752 0.207 -32.319 562 HE1 TYR 70 HE1 TYR 70 14.302 1.396 -29.128 563 HE2 TYR 70 HE2 TYR 70 13.098 0.179 -33.036 564 HH TYR 70 HH TYR 70 15.703 0.342 -30.841 565 H VAL 71 H VAL 71 8.731 1.589 -27.316 566 HA VAL 71 HA VAL 71 9.920 4.031 -26.252 567 HB VAL 71 HB VAL 71 8.493 1.790 -24.804 568 1HG1 VAL 71 1HG1 VAL 71 10.047 3.021 -23.367 569 2HG1 VAL 71 2HG1 VAL 71 8.369 3.343 -22.927 570 3HG1 VAL 71 3HG1 VAL 71 9.286 4.539 -23.844 571 1HG2 VAL 71 1HG2 VAL 71 6.599 3.326 -24.683 572 2HG2 VAL 71 2HG2 VAL 71 7.021 2.979 -26.359 573 3HG2 VAL 71 3HG2 VAL 71 7.489 4.515 -25.631 574 H LYS 72 H LYS 72 11.922 4.099 -25.600 575 HA LYS 72 HA LYS 72 13.485 1.658 -25.326 576 1HB LYS 72 1HB LYS 72 14.379 4.521 -24.931 577 2HB LYS 72 2HB LYS 72 15.401 3.116 -25.202 578 1HG LYS 72 1HG LYS 72 14.690 2.936 -27.463 579 2HG LYS 72 2HG LYS 72 13.431 4.150 -27.223 580 1HD LYS 72 1HD LYS 72 15.285 5.175 -28.361 581 2HD LYS 72 2HD LYS 72 15.198 5.815 -26.723 582 1HE LYS 72 1HE LYS 72 16.952 4.216 -26.043 583 2HE LYS 72 2HE LYS 72 17.084 3.687 -27.721 584 1HZ LYS 72 1HZ LYS 72 17.646 6.412 -26.674 585 2HZ LYS 72 2HZ LYS 72 17.659 5.991 -28.318 586 3HZ LYS 72 3HZ LYS 72 18.782 5.292 -27.259 587 H VAL 73 H VAL 73 13.666 0.666 -23.378 588 HA VAL 73 HA VAL 73 13.157 2.213 -20.962 589 HB VAL 73 HB VAL 73 13.931 -0.704 -21.205 590 1HG1 VAL 73 1HG1 VAL 73 12.734 0.855 -18.919 591 2HG1 VAL 73 2HG1 VAL 73 14.384 0.240 -19.010 592 3HG1 VAL 73 3HG1 VAL 73 13.025 -0.883 -18.931 593 1HG2 VAL 73 1HG2 VAL 73 11.548 -1.192 -20.873 594 2HG2 VAL 73 2HG2 VAL 73 11.830 -0.298 -22.367 595 3HG2 VAL 73 3HG2 VAL 73 11.190 0.531 -20.948 596 H ILE 74 H ILE 74 14.772 3.376 -20.183 597 HA ILE 74 HA ILE 74 17.517 2.365 -20.530 598 HB ILE 74 HB ILE 74 16.650 5.239 -20.161 599 1HG1 ILE 74 1HG1 ILE 74 17.622 3.838 -22.663 600 2HG1 ILE 74 2HG1 ILE 74 15.950 4.292 -22.344 601 1HG2 ILE 74 1HG2 ILE 74 18.969 5.773 -20.762 602 2HG2 ILE 74 2HG2 ILE 74 19.346 4.053 -20.819 603 3HG2 ILE 74 3HG2 ILE 74 18.879 4.803 -19.292 604 1HD1 ILE 74 1HD1 ILE 74 16.609 6.647 -22.294 605 2HD1 ILE 74 2HD1 ILE 74 17.012 5.881 -23.830 606 3HD1 ILE 74 3HD1 ILE 74 18.275 6.181 -22.635 607 H GLU 75 H GLU 75 18.202 1.483 -18.707 608 HA GLU 75 HA GLU 75 17.267 2.355 -16.134 609 1HB GLU 75 1HB GLU 75 17.922 -0.012 -16.669 610 2HB GLU 75 2HB GLU 75 19.589 0.528 -16.790 611 1HG GLU 75 1HG GLU 75 19.252 1.419 -14.408 612 2HG GLU 75 2HG GLU 75 17.833 0.373 -14.378 613 H ASP 76 H ASP 76 18.035 4.113 -15.132 614 HA ASP 76 HA ASP 76 20.024 5.692 -16.389 615 1HB ASP 76 1HB ASP 76 18.111 6.612 -15.097 616 2HB ASP 76 2HB ASP 76 18.876 6.040 -13.617 617 H SER 77 H SER 77 20.139 3.447 -13.710 618 HA SER 77 HA SER 77 22.515 4.378 -12.528 619 1HB SER 77 1HB SER 77 22.555 1.858 -11.737 620 2HB SER 77 2HB SER 77 21.343 2.986 -11.127 621 HG SER 77 HG SER 77 21.065 0.953 -13.080 622 H THR 78 H THR 78 21.943 2.104 -15.158 623 HA THR 78 HA THR 78 24.804 1.603 -15.407 624 HB THR 78 HB THR 78 23.902 0.198 -17.431 625 HG1 THR 78 HG1 THR 78 21.580 -0.043 -15.875 626 1HG2 THR 78 1HG2 THR 78 23.507 -1.701 -15.920 627 2HG2 THR 78 2HG2 THR 78 23.373 -0.585 -14.561 628 3HG2 THR 78 3HG2 THR 78 24.907 -0.754 -15.414 629 H ASN 79 H ASN 79 22.266 3.472 -16.793 630 HA ASN 79 HA ASN 79 22.248 5.194 -18.269 631 1HB ASN 79 1HB ASN 79 25.242 4.824 -18.183 632 2HB ASN 79 2HB ASN 79 24.467 6.043 -19.189 633 1HD2 ASN 79 2HD2 ASN 79 25.351 5.111 -15.994 634 2HD2 ASN 79 1HD2 ASN 79 24.916 6.593 -15.216 635 H GLU 80 H GLU 80 21.902 2.448 -19.091 636 HA GLU 80 HA GLU 80 22.417 2.866 -21.944 637 1HB GLU 80 1HB GLU 80 23.097 0.563 -22.281 638 2HB GLU 80 2HB GLU 80 24.162 1.328 -21.112 639 1HG GLU 80 1HG GLU 80 22.967 0.231 -19.293 640 2HG GLU 80 2HG GLU 80 21.881 -0.525 -20.459 641 H VAL 81 H VAL 81 21.037 1.516 -23.331 642 HA VAL 81 HA VAL 81 18.354 1.348 -22.274 643 HB VAL 81 HB VAL 81 19.369 0.514 -25.002 644 1HG1 VAL 81 1HG1 VAL 81 17.213 -0.465 -24.479 645 2HG1 VAL 81 2HG1 VAL 81 17.029 0.795 -25.699 646 3HG1 VAL 81 3HG1 VAL 81 16.581 1.118 -24.025 647 1HG2 VAL 81 1HG2 VAL 81 19.853 2.866 -24.568 648 2HG2 VAL 81 2HG2 VAL 81 18.164 3.139 -24.135 649 3HG2 VAL 81 3HG2 VAL 81 18.589 2.690 -25.786 650 H ILE 82 H ILE 82 17.681 -0.365 -21.166 651 HA ILE 82 HA ILE 82 19.191 -2.832 -21.329 652 HB ILE 82 HB ILE 82 17.642 -3.594 -19.483 653 1HG1 ILE 82 1HG1 ILE 82 16.856 -0.672 -19.471 654 2HG1 ILE 82 2HG1 ILE 82 15.812 -1.994 -19.973 655 1HG2 ILE 82 1HG2 ILE 82 19.326 -1.133 -19.032 656 2HG2 ILE 82 2HG2 ILE 82 19.883 -2.807 -19.040 657 3HG2 ILE 82 3HG2 ILE 82 18.787 -2.248 -17.775 658 1HD1 ILE 82 1HD1 ILE 82 15.938 -2.939 -17.720 659 2HD1 ILE 82 2HD1 ILE 82 15.279 -1.303 -17.724 660 3HD1 ILE 82 3HD1 ILE 82 16.946 -1.580 -17.219 661 H ARG 83 H ARG 83 15.969 -1.666 -22.199 662 HA ARG 83 HA ARG 83 15.594 -4.034 -23.823 663 1HB ARG 83 1HB ARG 83 14.710 -4.280 -21.345 664 2HB ARG 83 2HB ARG 83 13.374 -3.325 -21.960 665 1HG ARG 83 1HG ARG 83 13.178 -5.069 -23.797 666 2HG ARG 83 2HG ARG 83 14.252 -6.061 -22.802 667 1HD ARG 83 1HD ARG 83 12.663 -5.671 -20.900 668 2HD ARG 83 2HD ARG 83 11.561 -4.949 -22.069 669 HE ARG 83 HE ARG 83 12.081 -7.743 -21.643 670 1HH1 ARG 83 1HH1 ARG 83 11.080 -5.436 -24.109 671 2HH1 ARG 83 2HH1 ARG 83 10.198 -6.622 -25.013 672 1HH2 ARG 83 1HH2 ARG 83 10.928 -9.264 -22.819 673 2HH2 ARG 83 2HH2 ARG 83 10.119 -8.810 -24.296 674 H GLU 84 H GLU 84 14.088 -3.699 -25.492 675 HA GLU 84 HA GLU 84 12.975 -0.987 -25.682 676 1HB GLU 84 1HB GLU 84 13.395 -3.103 -27.800 677 2HB GLU 84 2HB GLU 84 12.588 -1.569 -28.086 678 1HG GLU 84 1HG GLU 84 14.726 -1.193 -28.859 679 2HG GLU 84 2HG GLU 84 14.765 -0.506 -27.239 680 H ILE 85 H ILE 85 10.803 -0.641 -25.881 681 HA ILE 85 HA ILE 85 9.059 -3.022 -25.758 682 HB ILE 85 HB ILE 85 8.516 -0.265 -24.631 683 1HG1 ILE 85 1HG1 ILE 85 10.166 -1.523 -23.305 684 2HG1 ILE 85 2HG1 ILE 85 8.651 -1.337 -22.431 685 1HG2 ILE 85 1HG2 ILE 85 6.479 -1.295 -25.422 686 2HG2 ILE 85 2HG2 ILE 85 6.502 -1.305 -23.658 687 3HG2 ILE 85 3HG2 ILE 85 6.856 -2.783 -24.554 688 1HD1 ILE 85 1HD1 ILE 85 9.528 -3.808 -23.901 689 2HD1 ILE 85 2HD1 ILE 85 8.039 -3.621 -22.972 690 3HD1 ILE 85 3HD1 ILE 85 9.602 -3.563 -22.157 691 HA PRO 86 HA PRO 86 7.917 -1.356 -29.804 692 1HB PRO 86 1HB PRO 86 6.291 -3.434 -30.466 693 2HB PRO 86 2HB PRO 86 8.051 -3.505 -30.610 694 1HG PRO 86 1HG PRO 86 6.296 -4.525 -28.403 695 2HG PRO 86 2HG PRO 86 7.646 -5.338 -29.216 696 1HD PRO 86 1HD PRO 86 7.963 -4.167 -26.824 697 2HD PRO 86 2HD PRO 86 9.245 -4.114 -28.053 698 HA PRO 87 HA PRO 87 4.351 0.931 -28.921 699 1HB PRO 87 1HB PRO 87 2.955 0.767 -31.318 700 2HB PRO 87 2HB PRO 87 4.273 1.890 -30.972 701 1HG PRO 87 1HG PRO 87 4.339 -0.722 -32.418 702 2HG PRO 87 2HG PRO 87 5.206 0.783 -32.775 703 1HD PRO 87 1HD PRO 87 6.446 -1.273 -31.606 704 2HD PRO 87 2HD PRO 87 6.805 0.401 -31.134 705 H LYS 88 H LYS 88 3.452 -2.069 -30.666 706 HA LYS 88 HA LYS 88 0.835 -1.930 -29.430 707 1HB LYS 88 1HB LYS 88 0.269 -3.867 -30.824 708 2HB LYS 88 2HB LYS 88 0.910 -2.528 -31.761 709 1HG LYS 88 1HG LYS 88 3.146 -3.734 -31.668 710 2HG LYS 88 2HG LYS 88 2.236 -5.130 -31.082 711 1HD LYS 88 1HD LYS 88 1.853 -3.678 -33.698 712 2HD LYS 88 2HD LYS 88 2.487 -5.308 -33.473 713 1HE LYS 88 1HE LYS 88 0.371 -6.115 -32.725 714 2HE LYS 88 2HE LYS 88 -0.284 -4.480 -32.623 715 1HZ LYS 88 1HZ LYS 88 0.448 -5.961 -35.092 716 2HZ LYS 88 2HZ LYS 88 0.007 -4.320 -35.063 717 3HZ LYS 88 3HZ LYS 88 -1.108 -5.508 -34.592 718 H ARG 89 H ARG 89 3.698 -2.954 -28.339 719 HA ARG 89 HA ARG 89 2.465 -5.011 -26.628 720 1HB ARG 89 1HB ARG 89 5.335 -4.435 -27.351 721 2HB ARG 89 2HB ARG 89 4.926 -5.389 -25.932 722 1HG ARG 89 1HG ARG 89 3.910 -6.092 -28.667 723 2HG ARG 89 2HG ARG 89 5.474 -6.651 -28.068 724 1HD ARG 89 1HD ARG 89 4.433 -7.785 -26.232 725 2HD ARG 89 2HD ARG 89 2.872 -7.073 -26.621 726 HE ARG 89 HE ARG 89 2.700 -8.523 -28.483 727 1HH1 ARG 89 1HH1 ARG 89 5.585 -9.117 -26.584 728 2HH1 ARG 89 2HH1 ARG 89 5.755 -10.761 -27.129 729 1HH2 ARG 89 1HH2 ARG 89 2.920 -10.677 -29.197 730 2HH2 ARG 89 2HH2 ARG 89 4.246 -11.649 -28.616 731 H TRP 90 H TRP 90 3.130 -1.825 -26.835 732 HA TRP 90 HA TRP 90 3.952 -1.203 -24.190 733 1HB TRP 90 1HB TRP 90 4.324 0.369 -25.975 734 2HB TRP 90 2HB TRP 90 2.613 0.415 -26.362 735 HD1 TRP 90 HD1 TRP 90 1.231 2.274 -25.259 736 HE1 TRP 90 HE1 TRP 90 1.688 4.064 -23.471 737 HE3 TRP 90 HE3 TRP 90 5.794 0.651 -23.635 738 HZ2 TRP 90 HZ2 TRP 90 3.711 4.713 -21.635 739 HZ3 TRP 90 HZ3 TRP 90 6.930 1.925 -21.855 740 HH2 TRP 90 HH2 TRP 90 5.906 3.910 -20.871 741 H LEU 91 H LEU 91 0.916 -1.943 -25.679 742 HA LEU 91 HA LEU 91 -0.837 -0.580 -23.974 743 1HB LEU 91 1HB LEU 91 -1.221 -3.123 -25.544 744 2HB LEU 91 2HB LEU 91 -2.520 -2.276 -24.724 745 HG LEU 91 HG LEU 91 -0.835 -1.131 -26.955 746 1HD1 LEU 91 1HD1 LEU 91 -2.340 -2.921 -27.707 747 2HD1 LEU 91 2HD1 LEU 91 -2.839 -1.341 -28.310 748 3HD1 LEU 91 3HD1 LEU 91 -3.699 -2.080 -26.961 749 1HD2 LEU 91 1HD2 LEU 91 -2.473 0.687 -26.930 750 2HD2 LEU 91 2HD2 LEU 91 -1.616 0.570 -25.393 751 3HD2 LEU 91 3HD2 LEU 91 -3.264 -0.044 -25.534 752 H ASP 92 H ASP 92 0.218 -3.990 -23.826 753 HA ASP 92 HA ASP 92 -1.162 -4.503 -21.396 754 1HB ASP 92 1HB ASP 92 0.258 -6.575 -21.330 755 2HB ASP 92 2HB ASP 92 -0.659 -6.363 -22.815 756 H PHE 93 H PHE 93 2.006 -3.296 -22.183 757 HA PHE 93 HA PHE 93 3.123 -3.542 -19.581 758 1HB PHE 93 1HB PHE 93 4.458 -3.277 -21.653 759 2HB PHE 93 2HB PHE 93 3.844 -1.639 -21.823 760 HD1 PHE 93 HD1 PHE 93 5.216 0.044 -21.145 761 HD2 PHE 93 HD2 PHE 93 5.518 -3.743 -19.237 762 HE1 PHE 93 HE1 PHE 93 7.094 0.880 -19.800 763 HE2 PHE 93 HE2 PHE 93 7.399 -2.915 -17.883 764 HZ PHE 93 HZ PHE 93 8.186 -0.599 -18.166 765 H TYR 94 H TYR 94 1.464 -0.950 -21.321 766 HA TYR 94 HA TYR 94 1.662 1.016 -19.312 767 1HB TYR 94 1HB TYR 94 1.114 1.671 -21.561 768 2HB TYR 94 2HB TYR 94 -0.328 0.661 -21.562 769 HD1 TYR 94 HD1 TYR 94 -2.373 1.672 -21.162 770 HD2 TYR 94 HD2 TYR 94 1.153 3.520 -19.657 771 HE1 TYR 94 HE1 TYR 94 -3.714 3.569 -20.358 772 HE2 TYR 94 HE2 TYR 94 -0.180 5.422 -18.852 773 HH TYR 94 HH TYR 94 -2.219 6.475 -19.075 774 H ALA 95 H ALA 95 -0.853 -1.369 -20.047 775 HA ALA 95 HA ALA 95 -2.736 -0.603 -18.138 776 1HB ALA 95 1HB ALA 95 -3.611 -2.876 -18.312 777 2HB ALA 95 2HB ALA 95 -2.127 -3.392 -19.113 778 3HB ALA 95 3HB ALA 95 -3.197 -2.233 -19.903 779 H ALA 96 H ALA 96 0.105 -2.654 -17.853 780 HA ALA 96 HA ALA 96 -0.362 -3.529 -15.207 781 1HB ALA 96 1HB ALA 96 1.177 -4.657 -16.729 782 2HB ALA 96 2HB ALA 96 1.975 -4.206 -15.224 783 3HB ALA 96 3HB ALA 96 2.250 -3.258 -16.686 784 H MET 97 H MET 97 1.490 -0.810 -16.534 785 HA MET 97 HA MET 97 2.535 -0.073 -13.974 786 1HB MET 97 1HB MET 97 2.613 1.267 -16.664 787 2HB MET 97 2HB MET 97 3.314 1.995 -15.228 788 1HG MET 97 1HG MET 97 4.754 0.015 -14.966 789 2HG MET 97 2HG MET 97 4.095 -0.632 -16.465 790 1HE MET 97 1HE MET 97 5.118 3.099 -15.501 791 2HE MET 97 2HE MET 97 6.760 3.127 -16.147 792 3HE MET 97 3HE MET 97 6.364 2.066 -14.797 793 H THR 98 H THR 98 -0.229 0.991 -15.900 794 HA THR 98 HA THR 98 -0.618 3.414 -14.485 795 HB THR 98 HB THR 98 -1.642 2.856 -16.728 796 HG1 THR 98 HG1 THR 98 -2.565 4.635 -16.013 797 1HG2 THR 98 1HG2 THR 98 -3.814 1.725 -16.748 798 2HG2 THR 98 2HG2 THR 98 -3.645 1.364 -15.031 799 3HG2 THR 98 3HG2 THR 98 -2.537 0.643 -16.198 800 H GLU 99 H GLU 99 -1.671 0.108 -13.864 801 HA GLU 99 HA GLU 99 -3.151 0.850 -11.527 802 1HB GLU 99 1HB GLU 99 -1.937 -1.811 -12.305 803 2HB GLU 99 2HB GLU 99 -3.004 -1.559 -10.933 804 1HG GLU 99 1HG GLU 99 -4.704 -0.704 -12.630 805 2HG GLU 99 2HG GLU 99 -3.649 -1.409 -13.855 806 H PHE 100 H PHE 100 0.061 -0.498 -12.147 807 HA PHE 100 HA PHE 100 0.906 -0.841 -9.533 808 1HB PHE 100 1HB PHE 100 2.009 -1.762 -11.532 809 2HB PHE 100 2HB PHE 100 2.579 -0.154 -11.949 810 HD1 PHE 100 HD1 PHE 100 4.545 0.708 -11.018 811 HD2 PHE 100 HD2 PHE 100 2.859 -2.859 -9.440 812 HE1 PHE 100 HE1 PHE 100 6.603 0.306 -9.750 813 HE2 PHE 100 HE2 PHE 100 4.916 -3.256 -8.150 814 HZ PHE 100 HZ PHE 100 6.793 -1.672 -8.318 815 H LEU 101 H LEU 101 1.702 1.958 -11.654 816 HA LEU 101 HA LEU 101 2.948 3.302 -9.428 817 1HB LEU 101 1HB LEU 101 2.383 4.232 -12.247 818 2HB LEU 101 2HB LEU 101 3.158 5.230 -11.037 819 HG LEU 101 HG LEU 101 4.901 4.397 -12.360 820 1HD1 LEU 101 1HD1 LEU 101 6.194 2.974 -10.889 821 2HD1 LEU 101 2HD1 LEU 101 4.743 2.581 -9.969 822 3HD1 LEU 101 3HD1 LEU 101 5.361 4.233 -9.976 823 1HD2 LEU 101 1HD2 LEU 101 3.565 1.719 -12.152 824 2HD2 LEU 101 2HD2 LEU 101 5.185 1.965 -12.804 825 3HD2 LEU 101 3HD2 LEU 101 3.792 2.702 -13.596 826 H GLY 102 H GLY 102 -0.144 3.454 -11.085 827 1HA GLY 102 1HA GLY 102 -0.939 5.937 -9.965 828 2HA GLY 102 2HA GLY 102 -2.013 4.760 -10.676 829 H LEU 103 H LEU 103 -0.966 2.674 -8.774 830 HA LEU 103 HA LEU 103 -2.690 3.152 -6.543 831 1HB LEU 103 1HB LEU 103 -0.506 1.124 -6.993 832 2HB LEU 103 2HB LEU 103 -1.469 1.173 -5.529 833 HG LEU 103 HG LEU 103 -2.561 0.720 -8.310 834 1HD1 LEU 103 1HD1 LEU 103 -2.103 -1.220 -6.044 835 2HD1 LEU 103 2HD1 LEU 103 -1.168 -1.135 -7.539 836 3HD1 LEU 103 3HD1 LEU 103 -2.873 -1.588 -7.589 837 1HD2 LEU 103 1HD2 LEU 103 -4.182 1.784 -6.837 838 2HD2 LEU 103 2HD2 LEU 103 -3.888 0.559 -5.602 839 3HD2 LEU 103 3HD2 LEU 103 -4.621 0.103 -7.141 840 H PHE 104 H PHE 104 0.496 4.102 -7.283 841 HA PHE 104 HA PHE 104 1.215 4.464 -4.459 842 1HB PHE 104 1HB PHE 104 2.893 4.485 -6.973 843 2HB PHE 104 2HB PHE 104 3.521 4.822 -5.368 844 HD1 PHE 104 HD1 PHE 104 4.138 2.573 -7.503 845 HD2 PHE 104 HD2 PHE 104 1.940 2.721 -3.862 846 HE1 PHE 104 HE1 PHE 104 4.550 0.170 -7.159 847 HE2 PHE 104 HE2 PHE 104 2.349 0.322 -3.510 848 HZ PHE 104 HZ PHE 104 3.656 -0.957 -5.160 849 H VAL 105 H VAL 105 -0.256 6.216 -6.791 850 HA VAL 105 HA VAL 105 1.150 8.723 -6.148 851 HB VAL 105 HB VAL 105 0.066 9.685 -8.130 852 1HG1 VAL 105 1HG1 VAL 105 1.357 8.496 -9.820 853 2HG1 VAL 105 2HG1 VAL 105 1.565 7.143 -8.711 854 3HG1 VAL 105 3HG1 VAL 105 2.289 8.707 -8.336 855 1HG2 VAL 105 1HG2 VAL 105 -1.023 8.137 -9.743 856 2HG2 VAL 105 2HG2 VAL 105 -1.939 8.437 -8.267 857 3HG2 VAL 105 3HG2 VAL 105 -1.053 6.929 -8.458 858 H ASP 106 H ASP 106 -0.323 10.692 -6.174 859 HA ASP 106 HA ASP 106 -2.689 10.031 -4.562 860 1HB ASP 106 1HB ASP 106 -0.896 11.136 -3.280 861 2HB ASP 106 2HB ASP 106 -0.976 12.515 -4.373 862 H GLU 107 H GLU 107 -3.822 9.914 -6.583 863 HA GLU 107 HA GLU 107 -5.587 10.651 -7.786 864 1HB GLU 107 1HB GLU 107 -6.117 11.375 -5.393 865 2HB GLU 107 2HB GLU 107 -5.722 13.005 -5.925 866 1HG GLU 107 1HG GLU 107 -8.071 12.740 -6.076 867 2HG GLU 107 2HG GLU 107 -7.431 12.757 -7.717 868 H LYS 108 H LYS 108 -4.455 13.963 -6.941 869 HA LYS 108 HA LYS 108 -5.054 14.753 -9.628 870 1HB LYS 108 1HB LYS 108 -3.766 16.268 -7.364 871 2HB LYS 108 2HB LYS 108 -4.094 16.975 -8.940 872 1HG LYS 108 1HG LYS 108 -6.527 16.035 -8.412 873 2HG LYS 108 2HG LYS 108 -5.955 16.248 -6.758 874 1HD LYS 108 1HD LYS 108 -7.117 18.246 -7.534 875 2HD LYS 108 2HD LYS 108 -5.410 18.587 -7.246 876 1HE LYS 108 1HE LYS 108 -4.932 18.498 -9.596 877 2HE LYS 108 2HE LYS 108 -6.562 17.933 -9.954 878 1HZ LYS 108 1HZ LYS 108 -7.466 20.024 -9.396 879 2HZ LYS 108 2HZ LYS 108 -6.120 20.353 -10.377 880 3HZ LYS 108 3HZ LYS 108 -6.018 20.567 -8.701 881 H LYS 109 H LYS 109 -2.359 13.358 -8.192 882 HA LYS 109 HA LYS 109 -0.480 14.328 -10.170 883 1HB LYS 109 1HB LYS 109 -0.204 11.990 -8.262 884 2HB LYS 109 2HB LYS 109 1.096 12.777 -9.153 885 1HG LYS 109 1HG LYS 109 0.571 14.878 -7.912 886 2HG LYS 109 2HG LYS 109 -0.566 13.952 -6.934 887 1HD LYS 109 1HD LYS 109 1.308 12.481 -6.235 888 2HD LYS 109 2HD LYS 109 2.416 13.522 -7.136 889 1HE LYS 109 1HE LYS 109 1.637 15.439 -5.754 890 2HE LYS 109 2HE LYS 109 0.686 14.309 -4.796 891 1HZ LYS 109 1HZ LYS 109 3.636 14.450 -5.031 892 2HZ LYS 109 2HZ LYS 109 2.832 13.133 -4.324 893 3HZ LYS 109 3HZ LYS 109 2.689 14.679 -3.643 894 H LEU 110 H LEU 110 -3.094 12.511 -10.367 895 HA LEU 110 HA LEU 110 -2.086 10.594 -12.344 896 1HB LEU 110 1HB LEU 110 -4.650 10.941 -10.837 897 2HB LEU 110 2HB LEU 110 -4.642 10.008 -12.309 898 HG LEU 110 HG LEU 110 -2.920 9.395 -9.918 899 1HD1 LEU 110 1HD1 LEU 110 -4.521 7.585 -9.495 900 2HD1 LEU 110 2HD1 LEU 110 -5.528 8.176 -10.817 901 3HD1 LEU 110 3HD1 LEU 110 -5.289 9.168 -9.379 902 1HD2 LEU 110 1HD2 LEU 110 -3.573 7.816 -12.405 903 2HD2 LEU 110 2HD2 LEU 110 -2.613 7.240 -11.045 904 3HD2 LEU 110 3HD2 LEU 110 -2.025 8.576 -12.038 905 H GLU 111 H GLU 111 -3.008 13.732 -12.281 906 HA GLU 111 HA GLU 111 -3.707 15.275 -13.702 907 1HB GLU 111 1HB GLU 111 -1.954 14.215 -15.030 908 2HB GLU 111 2HB GLU 111 -3.147 13.129 -15.729 909 1HG GLU 111 1HG GLU 111 -2.599 14.929 -17.202 910 2HG GLU 111 2HG GLU 111 -4.287 14.989 -16.730 911 H HIS 112 H HIS 112 -5.581 12.510 -13.274 912 HA HIS 112 HA HIS 112 -7.557 13.243 -15.233 913 1HB HIS 112 1HB HIS 112 -8.807 11.311 -14.599 914 2HB HIS 112 2HB HIS 112 -7.116 10.862 -14.730 915 HD1 HIS 112 HD1 HIS 112 -8.984 9.064 -13.209 916 HD2 HIS 112 HD2 HIS 112 -6.854 12.149 -11.415 917 HE1 HIS 112 HE1 HIS 112 -8.821 8.444 -10.775 918 H HIS 113 H HIS 113 -7.217 15.375 -13.791 919 HA HIS 113 HA HIS 113 -8.262 17.022 -12.660 920 1HB HIS 113 1HB HIS 113 -10.607 15.247 -13.284 921 2HB HIS 113 2HB HIS 113 -10.812 16.715 -12.333 922 HD1 HIS 113 HD1 HIS 113 -11.729 18.464 -13.778 923 HD2 HIS 113 HD2 HIS 113 -8.918 16.133 -15.768 924 HE1 HIS 113 HE1 HIS 113 -11.518 19.469 -16.079 925 H HIS 114 H HIS 114 -10.660 15.019 -11.217 926 HA HIS 114 HA HIS 114 -9.110 14.826 -8.735 927 1HB HIS 114 1HB HIS 114 -10.586 16.933 -8.835 928 2HB HIS 114 2HB HIS 114 -11.955 15.833 -8.734 929 HD1 HIS 114 HD1 HIS 114 -12.758 15.445 -6.421 930 HD2 HIS 114 HD2 HIS 114 -8.726 16.475 -6.519 931 HE1 HIS 114 HE1 HIS 114 -12.029 15.590 -4.012 932 H HIS 115 H HIS 115 -12.117 14.039 -10.428 933 HA HIS 115 HA HIS 115 -11.708 11.236 -9.858 934 1HB HIS 115 1HB HIS 115 -13.944 12.785 -8.626 935 2HB HIS 115 2HB HIS 115 -14.296 11.170 -9.227 936 HD1 HIS 115 HD1 HIS 115 -12.629 9.245 -8.200 937 HD2 HIS 115 HD2 HIS 115 -12.957 12.814 -6.099 938 HE1 HIS 115 HE1 HIS 115 -11.792 8.743 -5.882 939 H HIS 116 H HIS 116 -13.207 9.870 -11.126 940 HA HIS 116 HA HIS 116 -14.337 11.338 -13.419 941 1HB HIS 116 1HB HIS 116 -13.666 9.630 -14.936 942 2HB HIS 116 2HB HIS 116 -12.247 10.013 -13.972 943 HD1 HIS 116 HD1 HIS 116 -14.892 7.316 -14.375 944 HD2 HIS 116 HD2 HIS 116 -11.161 7.882 -12.605 945 HE1 HIS 116 HE1 HIS 116 -14.138 5.038 -13.628 946 H HIS 117 H HIS 117 -16.013 10.033 -14.595 947 HA HIS 117 HA HIS 117 -17.440 8.198 -12.786 948 1HB HIS 117 1HB HIS 117 -18.540 10.487 -13.039 949 2HB HIS 117 2HB HIS 117 -18.801 10.076 -14.731 950 HD1 HIS 117 HD1 HIS 117 -20.428 8.010 -15.184 951 HD2 HIS 117 HD2 HIS 117 -20.374 9.441 -11.282 952 HE1 HIS 117 HE1 HIS 117 -22.488 7.070 -14.087 Start of MODEL 5 1 HA LEU 1 HA LEU 1 4.066 -0.496 0.611 2 1HB LEU 1 1HB LEU 1 1.921 0.336 -1.345 3 2HB LEU 1 2HB LEU 1 3.548 -0.149 -1.780 4 HG LEU 1 HG LEU 1 1.489 -1.925 -0.466 5 1HD1 LEU 1 1HD1 LEU 1 0.941 -1.375 -2.782 6 2HD1 LEU 1 2HD1 LEU 1 1.413 -3.065 -2.611 7 3HD1 LEU 1 3HD1 LEU 1 2.549 -1.897 -3.287 8 1HD2 LEU 1 1HD2 LEU 1 3.077 -3.720 -0.895 9 2HD2 LEU 1 2HD2 LEU 1 3.780 -2.500 0.168 10 3HD2 LEU 1 3HD2 LEU 1 4.236 -2.559 -1.537 11 H ASN 2 H ASN 2 5.631 0.970 0.021 12 HA ASN 2 HA ASN 2 4.841 3.800 0.144 13 1HB ASN 2 1HB ASN 2 6.179 2.893 2.093 14 2HB ASN 2 2HB ASN 2 7.512 2.661 0.967 15 1HD2 ASN 2 2HD2 ASN 2 7.401 4.344 3.300 16 2HD2 ASN 2 1HD2 ASN 2 7.699 5.957 2.752 17 H ILE 3 H ILE 3 5.089 4.814 -1.717 18 HA ILE 3 HA ILE 3 6.543 3.673 -3.894 19 HB ILE 3 HB ILE 3 4.512 4.991 -4.272 20 1HG1 ILE 3 1HG1 ILE 3 6.963 6.261 -5.517 21 2HG1 ILE 3 2HG1 ILE 3 6.191 4.776 -6.065 22 1HG2 ILE 3 1HG2 ILE 3 6.148 7.338 -3.321 23 2HG2 ILE 3 2HG2 ILE 3 4.733 6.647 -2.528 24 3HG2 ILE 3 3HG2 ILE 3 4.565 7.447 -4.090 25 1HD1 ILE 3 1HD1 ILE 3 4.993 7.534 -6.083 26 2HD1 ILE 3 2HD1 ILE 3 4.145 6.060 -6.548 27 3HD1 ILE 3 3HD1 ILE 3 5.540 6.605 -7.480 28 H GLU 4 H GLU 4 7.285 5.976 -1.405 29 HA GLU 4 HA GLU 4 9.476 7.240 -2.779 30 1HB GLU 4 1HB GLU 4 8.891 7.217 0.185 31 2HB GLU 4 2HB GLU 4 9.909 8.358 -0.677 32 1HG GLU 4 1HG GLU 4 7.951 9.219 -1.852 33 2HG GLU 4 2HG GLU 4 6.933 8.061 -0.993 34 H ARG 5 H ARG 5 9.143 4.201 -1.665 35 HA ARG 5 HA ARG 5 12.020 3.940 -1.111 36 1HB ARG 5 1HB ARG 5 9.829 2.461 0.369 37 2HB ARG 5 2HB ARG 5 11.560 2.308 0.639 38 1HG ARG 5 1HG ARG 5 10.117 4.915 0.990 39 2HG ARG 5 2HG ARG 5 10.247 3.726 2.287 40 1HD ARG 5 1HD ARG 5 12.691 4.649 0.826 41 2HD ARG 5 2HD ARG 5 11.996 5.637 2.112 42 HE ARG 5 HE ARG 5 12.182 3.322 3.368 43 1HH1 ARG 5 1HH1 ARG 5 14.504 4.799 1.207 44 2HH1 ARG 5 2HH1 ARG 5 15.888 4.212 2.071 45 1HH2 ARG 5 1HH2 ARG 5 13.971 2.534 4.499 46 2HH2 ARG 5 2HH2 ARG 5 15.585 2.884 3.957 47 H LEU 6 H LEU 6 9.854 3.365 -3.301 48 HA LEU 6 HA LEU 6 9.609 0.580 -3.587 49 1HB LEU 6 1HB LEU 6 8.176 2.260 -4.697 50 2HB LEU 6 2HB LEU 6 9.520 2.704 -5.728 51 HG LEU 6 HG LEU 6 9.516 0.416 -6.675 52 1HD1 LEU 6 1HD1 LEU 6 7.027 0.084 -5.009 53 2HD1 LEU 6 2HD1 LEU 6 8.550 -0.779 -4.794 54 3HD1 LEU 6 3HD1 LEU 6 7.588 -1.035 -6.250 55 1HD2 LEU 6 1HD2 LEU 6 7.487 0.691 -8.001 56 2HD2 LEU 6 2HD2 LEU 6 8.325 2.229 -7.790 57 3HD2 LEU 6 3HD2 LEU 6 6.881 1.871 -6.840 58 H THR 7 H THR 7 11.560 2.756 -5.593 59 HA THR 7 HA THR 7 13.424 2.518 -6.821 60 HB THR 7 HB THR 7 14.370 2.664 -4.547 61 HG1 THR 7 HG1 THR 7 15.766 1.121 -6.487 62 1HG2 THR 7 1HG2 THR 7 13.618 0.524 -3.615 63 2HG2 THR 7 2HG2 THR 7 15.370 0.681 -3.505 64 3HG2 THR 7 3HG2 THR 7 14.653 -0.338 -4.753 65 H THR 8 H THR 8 11.403 0.272 -7.133 66 HA THR 8 HA THR 8 13.011 -1.120 -9.044 67 HB THR 8 HB THR 8 13.559 -2.485 -7.100 68 HG1 THR 8 HG1 THR 8 13.394 -4.214 -8.307 69 1HG2 THR 8 1HG2 THR 8 11.850 -3.769 -5.910 70 2HG2 THR 8 2HG2 THR 8 10.587 -2.961 -6.838 71 3HG2 THR 8 3HG2 THR 8 11.587 -2.036 -5.719 72 H LEU 9 H LEU 9 11.827 -1.719 -10.746 73 HA LEU 9 HA LEU 9 8.900 -1.681 -10.449 74 1HB LEU 9 1HB LEU 9 10.658 -1.222 -12.853 75 2HB LEU 9 2HB LEU 9 8.925 -1.455 -12.974 76 HG LEU 9 HG LEU 9 10.371 0.824 -11.622 77 1HD1 LEU 9 1HD1 LEU 9 8.455 0.740 -13.947 78 2HD1 LEU 9 2HD1 LEU 9 10.201 0.960 -14.055 79 3HD1 LEU 9 3HD1 LEU 9 9.206 2.183 -13.267 80 1HD2 LEU 9 1HD2 LEU 9 8.128 1.716 -11.117 81 2HD2 LEU 9 2HD2 LEU 9 8.472 0.219 -10.249 82 3HD2 LEU 9 3HD2 LEU 9 7.421 0.196 -11.664 83 H GLN 10 H GLN 10 10.766 -3.883 -9.827 84 HA GLN 10 HA GLN 10 10.759 -5.914 -11.697 85 1HB GLN 10 1HB GLN 10 11.988 -6.040 -9.593 86 2HB GLN 10 2HB GLN 10 10.480 -6.174 -8.701 87 1HG GLN 10 1HG GLN 10 11.520 -8.335 -8.910 88 2HG GLN 10 2HG GLN 10 10.014 -8.301 -9.823 89 1HE2 GLN 10 2HE2 GLN 10 10.089 -8.344 -12.075 90 2HE2 GLN 10 1HE2 GLN 10 11.516 -8.829 -12.933 91 HA PRO 11 HA PRO 11 6.364 -7.359 -10.004 92 1HB PRO 11 1HB PRO 11 5.273 -4.694 -9.286 93 2HB PRO 11 2HB PRO 11 5.032 -6.258 -8.501 94 1HG PRO 11 1HG PRO 11 6.594 -4.392 -7.404 95 2HG PRO 11 2HG PRO 11 7.008 -6.112 -7.307 96 1HD PRO 11 1HD PRO 11 8.147 -3.983 -9.063 97 2HD PRO 11 2HD PRO 11 8.964 -5.341 -8.266 98 H VAL 12 H VAL 12 7.030 -4.264 -11.506 99 HA VAL 12 HA VAL 12 4.712 -4.271 -13.189 100 HB VAL 12 HB VAL 12 7.271 -2.680 -13.465 101 1HG1 VAL 12 1HG1 VAL 12 5.887 -1.144 -14.807 102 2HG1 VAL 12 2HG1 VAL 12 4.552 -2.293 -14.709 103 3HG1 VAL 12 3HG1 VAL 12 6.040 -2.739 -15.543 104 1HG2 VAL 12 1HG2 VAL 12 4.659 -1.965 -12.135 105 2HG2 VAL 12 2HG2 VAL 12 6.015 -0.865 -12.387 106 3HG2 VAL 12 3HG2 VAL 12 6.198 -2.262 -11.326 107 H TRP 13 H TRP 13 8.174 -4.950 -13.672 108 HA TRP 13 HA TRP 13 7.963 -5.784 -16.354 109 1HB TRP 13 1HB TRP 13 9.943 -6.508 -14.193 110 2HB TRP 13 2HB TRP 13 10.097 -7.051 -15.859 111 HD1 TRP 13 HD1 TRP 13 11.707 -4.690 -13.854 112 HE1 TRP 13 HE1 TRP 13 12.455 -2.586 -15.131 113 HE3 TRP 13 HE3 TRP 13 8.759 -5.168 -18.008 114 HZ2 TRP 13 HZ2 TRP 13 11.873 -1.307 -17.582 115 HZ3 TRP 13 HZ3 TRP 13 8.913 -3.458 -19.765 116 HH2 TRP 13 HH2 TRP 13 10.437 -1.563 -19.553 117 H ASP 14 H ASP 14 7.543 -7.460 -13.309 118 HA ASP 14 HA ASP 14 7.282 -10.085 -14.224 119 1HB ASP 14 1HB ASP 14 7.390 -9.488 -11.843 120 2HB ASP 14 2HB ASP 14 5.814 -8.712 -11.957 121 H ARG 15 H ARG 15 4.855 -7.536 -13.864 122 HA ARG 15 HA ARG 15 2.679 -8.985 -14.927 123 1HB ARG 15 1HB ARG 15 3.249 -6.030 -14.774 124 2HB ARG 15 2HB ARG 15 1.746 -6.680 -15.408 125 1HG ARG 15 1HG ARG 15 1.291 -7.734 -13.252 126 2HG ARG 15 2HG ARG 15 2.799 -7.071 -12.614 127 1HD ARG 15 1HD ARG 15 2.022 -4.849 -12.854 128 2HD ARG 15 2HD ARG 15 0.633 -5.365 -13.806 129 HE ARG 15 HE ARG 15 0.929 -6.096 -10.960 130 1HH1 ARG 15 1HH1 ARG 15 -0.891 -4.780 -13.628 131 2HH1 ARG 15 2HH1 ARG 15 -2.349 -4.551 -12.718 132 1HH2 ARG 15 1HH2 ARG 15 -0.980 -5.798 -9.728 133 2HH2 ARG 15 2HH2 ARG 15 -2.401 -5.136 -10.481 134 H TYR 16 H TYR 16 5.159 -6.981 -16.421 135 HA TYR 16 HA TYR 16 4.044 -6.801 -19.001 136 1HB TYR 16 1HB TYR 16 5.911 -5.412 -18.124 137 2HB TYR 16 2HB TYR 16 6.963 -6.816 -18.202 138 HD1 TYR 16 HD1 TYR 16 8.161 -7.276 -20.147 139 HD2 TYR 16 HD2 TYR 16 4.882 -4.574 -20.329 140 HE1 TYR 16 HE1 TYR 16 8.801 -6.663 -22.439 141 HE2 TYR 16 HE2 TYR 16 5.511 -3.958 -22.626 142 HH TYR 16 HH TYR 16 7.917 -5.695 -24.408 143 H ASP 17 H ASP 17 6.279 -9.166 -17.604 144 HA ASP 17 HA ASP 17 6.483 -10.679 -19.996 145 1HB ASP 17 1HB ASP 17 7.220 -11.160 -17.139 146 2HB ASP 17 2HB ASP 17 7.207 -12.519 -18.257 147 H THR 18 H THR 18 4.336 -10.879 -17.183 148 HA THR 18 HA THR 18 3.201 -13.377 -17.999 149 HB THR 18 HB THR 18 1.450 -12.797 -16.220 150 HG1 THR 18 HG1 THR 18 3.349 -10.881 -15.369 151 1HG2 THR 18 1HG2 THR 18 2.981 -13.340 -14.395 152 2HG2 THR 18 2HG2 THR 18 4.358 -12.936 -15.420 153 3HG2 THR 18 3HG2 THR 18 3.334 -14.313 -15.823 154 H GLN 19 H GLN 19 2.177 -9.985 -18.245 155 HA GLN 19 HA GLN 19 -0.409 -10.361 -19.242 156 1HB GLN 19 1HB GLN 19 1.137 -8.237 -18.630 157 2HB GLN 19 2HB GLN 19 1.242 -8.192 -20.382 158 1HG GLN 19 1HG GLN 19 -1.256 -8.058 -18.716 159 2HG GLN 19 2HG GLN 19 -0.502 -6.747 -19.609 160 1HE2 GLN 19 2HE2 GLN 19 -0.595 -6.784 -21.898 161 2HE2 GLN 19 1HE2 GLN 19 -1.815 -7.684 -22.719 162 H ILE 20 H ILE 20 2.721 -10.339 -20.778 163 HA ILE 20 HA ILE 20 2.074 -10.328 -23.452 164 HB ILE 20 HB ILE 20 4.340 -11.219 -21.795 165 1HG1 ILE 20 1HG1 ILE 20 4.165 -9.623 -24.356 166 2HG1 ILE 20 2HG1 ILE 20 4.116 -8.956 -22.727 167 1HG2 ILE 20 1HG2 ILE 20 4.151 -13.192 -23.213 168 2HG2 ILE 20 2HG2 ILE 20 5.568 -12.243 -23.666 169 3HG2 ILE 20 3HG2 ILE 20 4.108 -12.174 -24.653 170 1HD1 ILE 20 1HD1 ILE 20 6.425 -10.449 -23.946 171 2HD1 ILE 20 2HD1 ILE 20 6.376 -9.759 -22.324 172 3HD1 ILE 20 3HD1 ILE 20 6.313 -8.702 -23.734 173 H HIS 21 H HIS 21 1.512 -12.827 -21.144 174 HA HIS 21 HA HIS 21 1.273 -14.985 -23.045 175 1HB HIS 21 1HB HIS 21 0.350 -14.795 -20.167 176 2HB HIS 21 2HB HIS 21 0.322 -16.259 -21.138 177 HD1 HIS 21 HD1 HIS 21 2.130 -17.749 -20.372 178 HD2 HIS 21 HD2 HIS 21 3.272 -13.751 -20.292 179 HE1 HIS 21 HE1 HIS 21 4.517 -17.747 -19.590 180 H ASN 22 H ASN 22 -0.646 -12.345 -22.288 181 HA ASN 22 HA ASN 22 -3.099 -13.742 -23.143 182 1HB ASN 22 1HB ASN 22 -3.168 -13.207 -20.725 183 2HB ASN 22 2HB ASN 22 -2.913 -11.509 -21.110 184 1HD2 ASN 22 2HD2 ASN 22 -4.816 -10.818 -20.245 185 2HD2 ASN 22 1HD2 ASN 22 -6.365 -11.195 -20.922 186 H GLN 23 H GLN 23 -2.345 -10.343 -22.456 187 HA GLN 23 HA GLN 23 -2.556 -8.437 -23.664 188 1HB GLN 23 1HB GLN 23 -1.957 -10.184 -26.051 189 2HB GLN 23 2HB GLN 23 -1.792 -8.437 -25.965 190 1HG GLN 23 1HG GLN 23 -0.088 -8.781 -24.164 191 2HG GLN 23 2HG GLN 23 -0.157 -10.506 -24.533 192 1HE2 GLN 23 2HE2 GLN 23 0.913 -7.393 -25.554 193 2HE2 GLN 23 1HE2 GLN 23 1.826 -7.924 -26.927 194 H LYS 24 H LYS 24 -4.953 -9.951 -23.185 195 HA LYS 24 HA LYS 24 -6.527 -9.180 -25.551 196 1HB LYS 24 1HB LYS 24 -6.927 -11.506 -23.660 197 2HB LYS 24 2HB LYS 24 -8.137 -10.982 -24.824 198 1HG LYS 24 1HG LYS 24 -6.782 -11.562 -26.657 199 2HG LYS 24 2HG LYS 24 -5.352 -11.731 -25.643 200 1HD LYS 24 1HD LYS 24 -6.233 -13.908 -26.326 201 2HD LYS 24 2HD LYS 24 -6.315 -13.699 -24.578 202 1HE LYS 24 1HE LYS 24 -8.705 -12.918 -26.145 203 2HE LYS 24 2HE LYS 24 -8.350 -14.641 -26.033 204 1HZ LYS 24 1HZ LYS 24 -8.764 -12.768 -23.757 205 2HZ LYS 24 2HZ LYS 24 -8.295 -14.386 -23.598 206 3HZ LYS 24 3HZ LYS 24 -9.811 -14.009 -24.256 207 H ASP 25 H ASP 25 -7.779 -7.493 -25.181 208 HA ASP 25 HA ASP 25 -8.480 -6.688 -22.486 209 1HB ASP 25 1HB ASP 25 -9.310 -4.690 -23.453 210 2HB ASP 25 2HB ASP 25 -7.903 -5.108 -24.423 211 H ASN 26 H ASN 26 -9.961 -8.131 -25.277 212 HA ASN 26 HA ASN 26 -11.753 -9.463 -25.540 213 1HB ASN 26 1HB ASN 26 -10.889 -10.516 -23.447 214 2HB ASN 26 2HB ASN 26 -11.972 -9.479 -22.527 215 1HD2 ASN 26 2HD2 ASN 26 -14.169 -9.894 -22.535 216 2HD2 ASN 26 1HD2 ASN 26 -14.836 -11.371 -23.140 217 H ASP 27 H ASP 27 -12.617 -7.301 -26.355 218 HA ASP 27 HA ASP 27 -14.661 -6.617 -27.063 219 1HB ASP 27 1HB ASP 27 -15.514 -8.805 -26.564 220 2HB ASP 27 2HB ASP 27 -15.669 -8.407 -24.857 221 H ASN 28 H ASN 28 -13.751 -6.046 -23.777 222 HA ASN 28 HA ASN 28 -16.126 -4.599 -23.076 223 1HB ASN 28 1HB ASN 28 -14.354 -5.914 -21.596 224 2HB ASN 28 2HB ASN 28 -13.649 -4.307 -21.456 225 1HD2 ASN 28 2HD2 ASN 28 -16.546 -6.201 -20.942 226 2HD2 ASN 28 1HD2 ASN 28 -17.219 -5.196 -19.700 227 H GLU 29 H GLU 29 -13.801 -3.711 -25.113 228 HA GLU 29 HA GLU 29 -13.193 -1.756 -26.068 229 1HB GLU 29 1HB GLU 29 -15.619 -0.695 -24.612 230 2HB GLU 29 2HB GLU 29 -14.773 0.128 -25.914 231 1HG GLU 29 1HG GLU 29 -15.321 -1.778 -27.399 232 2HG GLU 29 2HG GLU 29 -16.283 -2.466 -26.089 233 H VAL 30 H VAL 30 -11.348 -1.962 -24.470 234 HA VAL 30 HA VAL 30 -11.224 0.392 -22.738 235 HB VAL 30 HB VAL 30 -9.210 -0.616 -21.809 236 1HG1 VAL 30 1HG1 VAL 30 -11.463 -2.603 -21.938 237 2HG1 VAL 30 2HG1 VAL 30 -11.342 -1.246 -20.819 238 3HG1 VAL 30 3HG1 VAL 30 -10.182 -2.571 -20.726 239 1HG2 VAL 30 1HG2 VAL 30 -8.333 -1.697 -23.787 240 2HG2 VAL 30 2HG2 VAL 30 -9.670 -2.848 -23.767 241 3HG2 VAL 30 3HG2 VAL 30 -8.478 -2.859 -22.468 242 HA PRO 31 HA PRO 31 -8.273 2.430 -25.490 243 1HB PRO 31 1HB PRO 31 -6.043 2.701 -23.854 244 2HB PRO 31 2HB PRO 31 -7.390 3.838 -23.934 245 1HG PRO 31 1HG PRO 31 -6.852 1.664 -21.962 246 2HG PRO 31 2HG PRO 31 -7.527 3.282 -21.695 247 1HD PRO 31 1HD PRO 31 -9.085 1.098 -21.730 248 2HD PRO 31 2HD PRO 31 -9.650 2.643 -22.395 249 H VAL 32 H VAL 32 -7.778 0.901 -27.012 250 HA VAL 32 HA VAL 32 -5.375 -0.644 -26.737 251 HB VAL 32 HB VAL 32 -7.121 -2.056 -25.613 252 1HG1 VAL 32 1HG1 VAL 32 -9.053 -1.431 -26.924 253 2HG1 VAL 32 2HG1 VAL 32 -8.801 -3.174 -27.018 254 3HG1 VAL 32 3HG1 VAL 32 -8.335 -2.142 -28.370 255 1HG2 VAL 32 1HG2 VAL 32 -5.943 -3.175 -28.152 256 2HG2 VAL 32 2HG2 VAL 32 -6.579 -4.132 -26.812 257 3HG2 VAL 32 3HG2 VAL 32 -5.165 -3.107 -26.571 258 H HIS 33 H HIS 33 -4.663 -1.489 -28.669 259 HA HIS 33 HA HIS 33 -4.468 -1.840 -30.902 260 1HB HIS 33 1HB HIS 33 -7.351 -1.089 -30.787 261 2HB HIS 33 2HB HIS 33 -6.541 -1.131 -32.336 262 HD1 HIS 33 HD1 HIS 33 -6.378 -3.344 -33.446 263 HD2 HIS 33 HD2 HIS 33 -7.296 -3.658 -29.406 264 HE1 HIS 33 HE1 HIS 33 -6.891 -5.775 -33.053 265 H GLN 34 H GLN 34 -6.461 1.119 -30.665 266 HA GLN 34 HA GLN 34 -4.821 2.339 -32.697 267 1HB GLN 34 1HB GLN 34 -7.199 3.373 -31.153 268 2HB GLN 34 2HB GLN 34 -6.381 4.272 -32.425 269 1HG GLN 34 1HG GLN 34 -6.915 2.479 -34.013 270 2HG GLN 34 2HG GLN 34 -7.772 1.621 -32.734 271 1HE2 GLN 34 2HE2 GLN 34 -9.733 2.398 -32.007 272 2HE2 GLN 34 1HE2 GLN 34 -10.654 3.577 -32.888 273 H VAL 35 H VAL 35 -2.836 2.413 -31.626 274 HA VAL 35 HA VAL 35 -2.592 4.775 -29.882 275 HB VAL 35 HB VAL 35 -0.729 2.388 -29.949 276 1HG1 VAL 35 1HG1 VAL 35 -0.711 4.847 -28.203 277 2HG1 VAL 35 2HG1 VAL 35 0.446 4.461 -29.478 278 3HG1 VAL 35 3HG1 VAL 35 0.360 3.457 -28.030 279 1HG2 VAL 35 1HG2 VAL 35 -2.825 1.821 -28.855 280 2HG2 VAL 35 2HG2 VAL 35 -2.690 3.247 -27.825 281 3HG2 VAL 35 3HG2 VAL 35 -1.520 1.935 -27.674 282 H SER 36 H SER 36 -1.791 6.408 -31.024 283 HA SER 36 HA SER 36 -0.184 5.787 -33.397 284 1HB SER 36 1HB SER 36 -2.364 7.139 -33.534 285 2HB SER 36 2HB SER 36 -1.459 8.446 -32.768 286 HG SER 36 HG SER 36 -0.614 8.873 -34.644 287 H TYR 37 H TYR 37 1.272 7.816 -33.949 288 HA TYR 37 HA TYR 37 3.462 7.824 -32.245 289 1HB TYR 37 1HB TYR 37 3.597 8.444 -34.598 290 2HB TYR 37 2HB TYR 37 2.610 9.868 -34.308 291 HD1 TYR 37 HD1 TYR 37 5.924 8.352 -33.767 292 HD2 TYR 37 HD2 TYR 37 3.577 11.886 -33.464 293 HE1 TYR 37 HE1 TYR 37 7.969 9.677 -33.427 294 HE2 TYR 37 HE2 TYR 37 5.613 13.217 -33.116 295 HH TYR 37 HH TYR 37 8.724 11.999 -33.703 296 H THR 38 H THR 38 0.715 9.995 -32.416 297 HA THR 38 HA THR 38 1.574 11.964 -30.626 298 HB THR 38 HB THR 38 -0.996 12.185 -30.238 299 HG1 THR 38 HG1 THR 38 -2.252 11.043 -31.671 300 1HG2 THR 38 1HG2 THR 38 0.319 13.668 -31.677 301 2HG2 THR 38 2HG2 THR 38 -1.246 13.306 -32.405 302 3HG2 THR 38 3HG2 THR 38 0.208 12.498 -32.993 303 H ASN 39 H ASN 39 -0.263 8.968 -30.075 304 HA ASN 39 HA ASN 39 -0.827 9.446 -27.367 305 1HB ASN 39 1HB ASN 39 -0.698 6.830 -28.880 306 2HB ASN 39 2HB ASN 39 -1.376 7.024 -27.265 307 1HD2 ASN 39 2HD2 ASN 39 -3.252 8.308 -27.009 308 2HD2 ASN 39 1HD2 ASN 39 -4.330 8.566 -28.332 309 H LEU 40 H LEU 40 1.905 7.914 -28.957 310 HA LEU 40 HA LEU 40 3.169 6.849 -26.704 311 1HB LEU 40 1HB LEU 40 4.122 7.860 -29.340 312 2HB LEU 40 2HB LEU 40 5.315 7.608 -28.083 313 HG LEU 40 HG LEU 40 5.244 5.662 -29.484 314 1HD1 LEU 40 1HD1 LEU 40 3.885 5.157 -26.844 315 2HD1 LEU 40 2HD1 LEU 40 5.621 5.223 -27.149 316 3HD1 LEU 40 3HD1 LEU 40 4.654 3.923 -27.843 317 1HD2 LEU 40 1HD2 LEU 40 3.008 5.951 -30.411 318 2HD2 LEU 40 2HD2 LEU 40 2.301 5.498 -28.861 319 3HD2 LEU 40 3HD2 LEU 40 3.236 4.319 -29.783 320 H ALA 41 H ALA 41 3.602 10.068 -28.187 321 HA ALA 41 HA ALA 41 5.334 11.078 -26.219 322 1HB ALA 41 1HB ALA 41 3.427 12.581 -28.013 323 2HB ALA 41 2HB ALA 41 5.088 12.129 -28.402 324 3HB ALA 41 3HB ALA 41 4.768 13.290 -27.114 325 H GLU 42 H GLU 42 1.822 11.190 -26.524 326 HA GLU 42 HA GLU 42 1.220 12.853 -24.368 327 1HB GLU 42 1HB GLU 42 -0.335 10.518 -25.494 328 2HB GLU 42 2HB GLU 42 -1.002 11.711 -24.396 329 1HG GLU 42 1HG GLU 42 0.067 12.267 -27.154 330 2HG GLU 42 2HG GLU 42 -1.633 12.128 -26.713 331 H MET 43 H MET 43 1.356 9.298 -24.459 332 HA MET 43 HA MET 43 0.713 9.125 -21.659 333 1HB MET 43 1HB MET 43 1.341 7.063 -23.766 334 2HB MET 43 2HB MET 43 0.985 6.645 -22.093 335 1HG MET 43 1HG MET 43 -1.213 7.216 -22.264 336 2HG MET 43 2HG MET 43 -0.917 8.422 -23.512 337 1HE MET 43 1HE MET 43 -1.324 4.590 -22.733 338 2HE MET 43 2HE MET 43 0.285 4.665 -23.453 339 3HE MET 43 3HE MET 43 -1.033 3.878 -24.321 340 H VAL 44 H VAL 44 3.681 8.861 -23.568 341 HA VAL 44 HA VAL 44 5.271 7.672 -21.564 342 HB VAL 44 HB VAL 44 6.000 9.473 -23.874 343 1HG1 VAL 44 1HG1 VAL 44 8.361 8.963 -23.429 344 2HG1 VAL 44 2HG1 VAL 44 7.900 8.161 -21.928 345 3HG1 VAL 44 3HG1 VAL 44 7.638 9.894 -22.115 346 1HG2 VAL 44 1HG2 VAL 44 6.464 6.547 -23.306 347 2HG2 VAL 44 2HG2 VAL 44 7.032 7.409 -24.737 348 3HG2 VAL 44 3HG2 VAL 44 5.301 7.219 -24.447 349 H GLY 45 H GLY 45 4.356 11.026 -22.158 350 1HA GLY 45 1HA GLY 45 6.009 12.207 -20.195 351 2HA GLY 45 2HA GLY 45 4.512 12.889 -20.818 352 H GLU 46 H GLU 46 2.780 10.795 -20.032 353 HA GLU 46 HA GLU 46 2.375 11.523 -17.301 354 1HB GLU 46 1HB GLU 46 0.269 11.099 -17.918 355 2HB GLU 46 2HB GLU 46 0.828 10.430 -19.439 356 1HG GLU 46 1HG GLU 46 0.805 8.252 -18.630 357 2HG GLU 46 2HG GLU 46 0.777 8.781 -16.954 358 H MET 47 H MET 47 3.667 8.748 -18.988 359 HA MET 47 HA MET 47 3.795 6.965 -16.816 360 1HB MET 47 1HB MET 47 5.531 7.234 -19.271 361 2HB MET 47 2HB MET 47 5.685 5.915 -18.120 362 1HG MET 47 1HG MET 47 3.158 6.554 -19.621 363 2HG MET 47 2HG MET 47 4.359 5.377 -20.152 364 1HE MET 47 1HE MET 47 4.211 2.692 -17.356 365 2HE MET 47 2HE MET 47 5.296 4.082 -17.433 366 3HE MET 47 3HE MET 47 4.924 3.170 -18.895 367 H ASN 48 H ASN 48 6.032 9.459 -17.941 368 HA ASN 48 HA ASN 48 8.106 8.920 -16.108 369 1HB ASN 48 1HB ASN 48 7.334 11.295 -17.756 370 2HB ASN 48 2HB ASN 48 8.533 11.504 -16.487 371 1HD2 ASN 48 2HD2 ASN 48 7.804 9.918 -19.513 372 2HD2 ASN 48 1HD2 ASN 48 9.438 9.501 -19.901 373 H LYS 49 H LYS 49 5.135 10.763 -15.837 374 HA LYS 49 HA LYS 49 5.904 11.822 -13.251 375 1HB LYS 49 1HB LYS 49 3.411 12.129 -14.908 376 2HB LYS 49 2HB LYS 49 3.547 12.764 -13.273 377 1HG LYS 49 1HG LYS 49 5.659 13.933 -14.115 378 2HG LYS 49 2HG LYS 49 5.049 13.568 -15.730 379 1HD LYS 49 1HD LYS 49 3.024 14.795 -15.308 380 2HD LYS 49 2HD LYS 49 3.478 15.038 -13.619 381 1HE LYS 49 1HE LYS 49 5.452 16.320 -14.379 382 2HE LYS 49 2HE LYS 49 4.890 16.146 -16.040 383 1HZ LYS 49 1HZ LYS 49 3.385 17.492 -13.858 384 2HZ LYS 49 2HZ LYS 49 2.906 17.367 -15.483 385 3HZ LYS 49 3HZ LYS 49 4.271 18.279 -15.076 386 H LEU 50 H LEU 50 5.005 8.874 -14.137 387 HA LEU 50 HA LEU 50 3.300 8.344 -11.835 388 1HB LEU 50 1HB LEU 50 4.539 6.507 -13.883 389 2HB LEU 50 2HB LEU 50 3.552 5.949 -12.549 390 HG LEU 50 HG LEU 50 2.621 7.778 -14.760 391 1HD1 LEU 50 1HD1 LEU 50 2.051 4.867 -14.232 392 2HD1 LEU 50 2HD1 LEU 50 3.032 5.515 -15.547 393 3HD1 LEU 50 3HD1 LEU 50 1.302 5.854 -15.486 394 1HD2 LEU 50 1HD2 LEU 50 0.384 7.362 -13.815 395 2HD2 LEU 50 2HD2 LEU 50 1.439 8.230 -12.699 396 3HD2 LEU 50 3HD2 LEU 50 1.133 6.510 -12.465 397 H LEU 51 H LEU 51 6.643 8.375 -12.650 398 HA LEU 51 HA LEU 51 7.330 6.843 -10.232 399 1HB LEU 51 1HB LEU 51 8.946 7.464 -12.702 400 2HB LEU 51 2HB LEU 51 9.591 6.663 -11.284 401 HG LEU 51 HG LEU 51 7.350 5.586 -12.997 402 1HD1 LEU 51 1HD1 LEU 51 10.254 4.786 -12.841 403 2HD1 LEU 51 2HD1 LEU 51 9.479 5.610 -14.194 404 3HD1 LEU 51 3HD1 LEU 51 9.003 3.963 -13.776 405 1HD2 LEU 51 1HD2 LEU 51 7.225 4.871 -10.666 406 2HD2 LEU 51 2HD2 LEU 51 8.906 4.344 -10.732 407 3HD2 LEU 51 3HD2 LEU 51 7.690 3.532 -11.716 408 H GLU 52 H GLU 52 6.798 9.895 -11.001 409 HA GLU 52 HA GLU 52 9.063 11.386 -10.575 410 1HB GLU 52 1HB GLU 52 6.261 11.853 -10.694 411 2HB GLU 52 2HB GLU 52 6.906 12.748 -9.325 412 1HG GLU 52 1HG GLU 52 8.039 12.885 -12.105 413 2HG GLU 52 2HG GLU 52 6.842 14.006 -11.465 414 HA PRO 53 HA PRO 53 8.571 11.530 -5.901 415 1HB PRO 53 1HB PRO 53 6.498 10.478 -4.596 416 2HB PRO 53 2HB PRO 53 6.337 11.985 -5.505 417 1HG PRO 53 1HG PRO 53 5.405 9.246 -6.190 418 2HG PRO 53 2HG PRO 53 4.674 10.812 -6.575 419 1HD PRO 53 1HD PRO 53 6.279 9.226 -8.272 420 2HD PRO 53 2HD PRO 53 5.752 10.895 -8.562 421 H SER 54 H SER 54 9.132 8.897 -7.524 422 HA SER 54 HA SER 54 9.228 7.055 -5.239 423 1HB SER 54 1HB SER 54 9.311 5.246 -6.793 424 2HB SER 54 2HB SER 54 8.067 6.345 -7.380 425 HG SER 54 HG SER 54 9.674 7.209 -8.827 426 H GLN 55 H GLN 55 11.143 5.327 -6.018 427 HA GLN 55 HA GLN 55 13.618 6.901 -5.869 428 1HB GLN 55 1HB GLN 55 13.120 3.982 -5.228 429 2HB GLN 55 2HB GLN 55 14.636 4.840 -4.996 430 1HG GLN 55 1HG GLN 55 12.267 5.967 -3.659 431 2HG GLN 55 2HG GLN 55 12.860 4.421 -3.055 432 1HE2 GLN 55 2HE2 GLN 55 14.847 4.309 -2.059 433 2HE2 GLN 55 1HE2 GLN 55 15.704 5.723 -1.540 434 H VAL 56 H VAL 56 11.743 5.482 -8.120 435 HA VAL 56 HA VAL 56 13.772 3.866 -9.433 436 HB VAL 56 HB VAL 56 10.944 4.409 -10.356 437 1HG1 VAL 56 1HG1 VAL 56 11.246 2.336 -11.633 438 2HG1 VAL 56 2HG1 VAL 56 12.913 2.239 -11.061 439 3HG1 VAL 56 3HG1 VAL 56 12.411 3.576 -12.097 440 1HG2 VAL 56 1HG2 VAL 56 11.977 2.148 -8.649 441 2HG2 VAL 56 2HG2 VAL 56 10.362 2.241 -9.353 442 3HG2 VAL 56 3HG2 VAL 56 10.866 3.422 -8.144 443 H HIS 57 H HIS 57 15.150 4.829 -10.774 444 HA HIS 57 HA HIS 57 14.256 7.269 -12.151 445 1HB HIS 57 1HB HIS 57 17.023 6.321 -11.414 446 2HB HIS 57 2HB HIS 57 16.741 7.652 -12.531 447 HD1 HIS 57 HD1 HIS 57 16.143 9.904 -11.547 448 HD2 HIS 57 HD2 HIS 57 16.258 6.860 -8.712 449 HE1 HIS 57 HE1 HIS 57 15.997 11.051 -9.316 450 H LEU 58 H LEU 58 13.116 5.944 -13.683 451 HA LEU 58 HA LEU 58 14.915 4.781 -15.705 452 1HB LEU 58 1HB LEU 58 11.990 4.226 -15.210 453 2HB LEU 58 2HB LEU 58 12.910 3.586 -16.558 454 HG LEU 58 HG LEU 58 13.282 2.957 -13.634 455 1HD1 LEU 58 1HD1 LEU 58 11.444 1.795 -14.727 456 2HD1 LEU 58 2HD1 LEU 58 12.757 0.682 -14.347 457 3HD1 LEU 58 3HD1 LEU 58 12.534 1.250 -16.002 458 1HD2 LEU 58 1HD2 LEU 58 15.106 1.494 -14.305 459 2HD2 LEU 58 2HD2 LEU 58 15.463 3.169 -14.726 460 3HD2 LEU 58 3HD2 LEU 58 14.943 2.038 -15.975 461 H LYS 59 H LYS 59 15.089 5.776 -17.578 462 HA LYS 59 HA LYS 59 13.239 7.989 -18.130 463 1HB LYS 59 1HB LYS 59 16.120 7.520 -18.879 464 2HB LYS 59 2HB LYS 59 15.139 8.739 -19.685 465 1HG LYS 59 1HG LYS 59 14.821 9.942 -17.665 466 2HG LYS 59 2HG LYS 59 15.512 8.634 -16.707 467 1HD LYS 59 1HD LYS 59 17.107 10.073 -18.806 468 2HD LYS 59 2HD LYS 59 16.975 10.685 -17.156 469 1HE LYS 59 1HE LYS 59 17.757 8.397 -16.397 470 2HE LYS 59 2HE LYS 59 18.156 8.080 -18.085 471 1HZ LYS 59 1HZ LYS 59 19.667 9.929 -18.078 472 2HZ LYS 59 2HZ LYS 59 20.057 8.906 -16.784 473 3HZ LYS 59 3HZ LYS 59 19.222 10.352 -16.499 474 H PHE 60 H PHE 60 12.094 8.044 -19.974 475 HA PHE 60 HA PHE 60 12.315 5.683 -21.710 476 1HB PHE 60 1HB PHE 60 9.853 7.357 -21.157 477 2HB PHE 60 2HB PHE 60 9.918 5.883 -22.118 478 HD1 PHE 60 HD1 PHE 60 10.497 3.719 -20.957 479 HD2 PHE 60 HD2 PHE 60 9.528 7.282 -18.846 480 HE1 PHE 60 HE1 PHE 60 10.017 2.391 -18.943 481 HE2 PHE 60 HE2 PHE 60 9.048 5.962 -16.826 482 HZ PHE 60 HZ PHE 60 9.294 3.511 -16.873 483 H GLU 61 H GLU 61 12.680 5.993 -23.809 484 HA GLU 61 HA GLU 61 12.455 8.733 -24.884 485 1HB GLU 61 1HB GLU 61 14.430 6.526 -25.411 486 2HB GLU 61 2HB GLU 61 14.233 7.859 -26.533 487 1HG GLU 61 1HG GLU 61 14.752 9.398 -24.605 488 2HG GLU 61 2HG GLU 61 15.180 7.957 -23.679 489 H LEU 62 H LEU 62 11.758 8.947 -27.068 490 HA LEU 62 HA LEU 62 10.433 6.547 -28.149 491 1HB LEU 62 1HB LEU 62 8.912 8.434 -27.735 492 2HB LEU 62 2HB LEU 62 9.906 9.462 -28.749 493 HG LEU 62 HG LEU 62 9.357 8.045 -30.707 494 1HD1 LEU 62 1HD1 LEU 62 7.524 6.633 -28.769 495 2HD1 LEU 62 2HD1 LEU 62 8.955 5.947 -29.538 496 3HD1 LEU 62 3HD1 LEU 62 7.559 6.397 -30.516 497 1HD2 LEU 62 1HD2 LEU 62 6.964 9.086 -29.191 498 2HD2 LEU 62 2HD2 LEU 62 7.034 8.769 -30.924 499 3HD2 LEU 62 3HD2 LEU 62 8.034 10.039 -30.218 500 H HIS 63 H HIS 63 12.036 5.607 -29.313 501 HA HIS 63 HA HIS 63 13.507 7.342 -31.159 502 1HB HIS 63 1HB HIS 63 14.223 4.743 -29.866 503 2HB HIS 63 2HB HIS 63 14.998 5.217 -31.377 504 HD1 HIS 63 HD1 HIS 63 15.904 7.914 -31.172 505 HD2 HIS 63 HD2 HIS 63 15.664 5.552 -27.758 506 HE1 HIS 63 HE1 HIS 63 17.420 9.005 -29.480 507 H ASP 64 H ASP 64 13.163 7.279 -33.178 508 HA ASP 64 HA ASP 64 11.452 5.235 -34.347 509 1HB ASP 64 1HB ASP 64 11.289 6.752 -36.227 510 2HB ASP 64 2HB ASP 64 11.042 7.668 -34.750 511 H LYS 65 H LYS 65 12.109 4.118 -36.289 512 HA LYS 65 HA LYS 65 15.042 3.911 -36.507 513 1HB LYS 65 1HB LYS 65 14.030 1.937 -35.434 514 2HB LYS 65 2HB LYS 65 13.015 1.690 -36.846 515 1HG LYS 65 1HG LYS 65 14.882 1.135 -38.194 516 2HG LYS 65 2HG LYS 65 16.019 1.659 -36.950 517 1HD LYS 65 1HD LYS 65 15.281 -0.140 -35.491 518 2HD LYS 65 2HD LYS 65 14.081 -0.637 -36.685 519 1HE LYS 65 1HE LYS 65 16.116 -2.037 -36.711 520 2HE LYS 65 2HE LYS 65 15.802 -1.232 -38.247 521 1HZ LYS 65 1HZ LYS 65 17.524 0.297 -37.871 522 2HZ LYS 65 2HZ LYS 65 18.169 -1.207 -37.418 523 3HZ LYS 65 3HZ LYS 65 17.663 -0.110 -36.232 524 H LEU 66 H LEU 66 12.626 2.319 -38.527 525 HA LEU 66 HA LEU 66 13.562 3.971 -40.779 526 1HB LEU 66 1HB LEU 66 14.094 1.567 -40.952 527 2HB LEU 66 2HB LEU 66 12.390 1.187 -40.811 528 HG LEU 66 HG LEU 66 11.966 2.367 -42.937 529 1HD1 LEU 66 1HD1 LEU 66 13.876 2.978 -44.353 530 2HD1 LEU 66 2HD1 LEU 66 14.969 2.636 -43.011 531 3HD1 LEU 66 3HD1 LEU 66 13.796 3.948 -42.883 532 1HD2 LEU 66 1HD2 LEU 66 12.323 -0.031 -42.924 533 2HD2 LEU 66 2HD2 LEU 66 14.066 0.207 -43.049 534 3HD2 LEU 66 3HD2 LEU 66 13.012 0.684 -44.381 535 H ASN 67 H ASN 67 10.736 1.936 -40.137 536 HA ASN 67 HA ASN 67 9.014 4.298 -40.578 537 1HB ASN 67 1HB ASN 67 8.815 2.530 -42.350 538 2HB ASN 67 2HB ASN 67 8.327 1.388 -41.105 539 1HD2 ASN 67 2HD2 ASN 67 6.263 1.490 -40.269 540 2HD2 ASN 67 1HD2 ASN 67 5.021 2.480 -40.950 541 H GLU 68 H GLU 68 10.302 2.256 -38.436 542 HA GLU 68 HA GLU 68 7.972 1.811 -36.750 543 1HB GLU 68 1HB GLU 68 10.835 0.929 -36.317 544 2HB GLU 68 2HB GLU 68 9.415 0.352 -35.460 545 1HG GLU 68 1HG GLU 68 10.082 -1.327 -37.000 546 2HG GLU 68 2HG GLU 68 8.594 -0.606 -37.605 547 H TYR 69 H TYR 69 8.042 2.343 -34.520 548 HA TYR 69 HA TYR 69 10.107 4.058 -33.483 549 1HB TYR 69 1HB TYR 69 8.548 5.881 -32.830 550 2HB TYR 69 2HB TYR 69 8.707 5.743 -34.575 551 HD1 TYR 69 HD1 TYR 69 6.436 5.781 -31.802 552 HD2 TYR 69 HD2 TYR 69 6.850 4.548 -35.855 553 HE1 TYR 69 HE1 TYR 69 3.989 5.646 -32.007 554 HE2 TYR 69 HE2 TYR 69 4.405 4.410 -36.069 555 HH TYR 69 HH TYR 69 2.436 4.065 -34.481 556 H TYR 70 H TYR 70 10.330 3.629 -31.320 557 HA TYR 70 HA TYR 70 8.081 2.442 -29.906 558 1HB TYR 70 1HB TYR 70 9.385 0.470 -29.197 559 2HB TYR 70 2HB TYR 70 9.123 0.506 -30.934 560 HD1 TYR 70 HD1 TYR 70 10.961 0.732 -32.466 561 HD2 TYR 70 HD2 TYR 70 11.623 0.880 -28.268 562 HE1 TYR 70 HE1 TYR 70 13.373 0.455 -32.843 563 HE2 TYR 70 HE2 TYR 70 14.036 0.614 -28.630 564 HH TYR 70 HH TYR 70 15.555 -0.281 -30.325 565 H VAL 71 H VAL 71 8.875 1.784 -27.610 566 HA VAL 71 HA VAL 71 9.944 4.240 -26.500 567 HB VAL 71 HB VAL 71 8.772 1.837 -25.088 568 1HG1 VAL 71 1HG1 VAL 71 8.546 3.344 -23.170 569 2HG1 VAL 71 2HG1 VAL 71 9.372 4.614 -24.073 570 3HG1 VAL 71 3HG1 VAL 71 10.232 3.136 -23.640 571 1HG2 VAL 71 1HG2 VAL 71 7.500 4.475 -25.822 572 2HG2 VAL 71 2HG2 VAL 71 6.751 3.199 -24.863 573 3HG2 VAL 71 3HG2 VAL 71 7.145 2.909 -26.556 574 H LYS 72 H LYS 72 11.892 4.484 -25.797 575 HA LYS 72 HA LYS 72 13.699 2.189 -25.557 576 1HB LYS 72 1HB LYS 72 14.112 4.455 -26.871 577 2HB LYS 72 2HB LYS 72 14.559 5.039 -25.285 578 1HG LYS 72 1HG LYS 72 16.570 4.415 -26.065 579 2HG LYS 72 2HG LYS 72 16.067 2.934 -25.245 580 1HD LYS 72 1HD LYS 72 15.230 2.072 -27.387 581 2HD LYS 72 2HD LYS 72 15.823 3.531 -28.183 582 1HE LYS 72 1HE LYS 72 18.071 3.041 -27.500 583 2HE LYS 72 2HE LYS 72 17.515 1.648 -26.587 584 1HZ LYS 72 1HZ LYS 72 17.294 1.926 -29.539 585 2HZ LYS 72 2HZ LYS 72 16.879 0.556 -28.624 586 3HZ LYS 72 3HZ LYS 72 18.499 1.040 -28.736 587 H VAL 73 H VAL 73 13.471 1.338 -23.501 588 HA VAL 73 HA VAL 73 13.166 3.164 -21.252 589 HB VAL 73 HB VAL 73 13.363 0.141 -21.223 590 1HG1 VAL 73 1HG1 VAL 73 12.365 0.327 -18.994 591 2HG1 VAL 73 2HG1 VAL 73 12.418 2.086 -19.119 592 3HG1 VAL 73 3HG1 VAL 73 13.917 1.158 -19.082 593 1HG2 VAL 73 1HG2 VAL 73 10.928 0.149 -21.006 594 2HG2 VAL 73 2HG2 VAL 73 11.435 0.891 -22.525 595 3HG2 VAL 73 3HG2 VAL 73 10.913 1.903 -21.177 596 H ILE 74 H ILE 74 14.909 4.062 -20.407 597 HA ILE 74 HA ILE 74 17.425 2.521 -20.389 598 HB ILE 74 HB ILE 74 17.106 5.525 -20.560 599 1HG1 ILE 74 1HG1 ILE 74 18.067 3.539 -22.635 600 2HG1 ILE 74 2HG1 ILE 74 16.508 4.358 -22.655 601 1HG2 ILE 74 1HG2 ILE 74 19.093 4.891 -19.314 602 2HG2 ILE 74 2HG2 ILE 74 19.540 5.547 -20.889 603 3HG2 ILE 74 3HG2 ILE 74 19.585 3.806 -20.615 604 1HD1 ILE 74 1HD1 ILE 74 18.087 5.394 -24.184 605 2HD1 ILE 74 2HD1 ILE 74 19.198 5.693 -22.846 606 3HD1 ILE 74 3HD1 ILE 74 17.631 6.502 -22.891 607 H GLU 75 H GLU 75 18.205 2.078 -18.457 608 HA GLU 75 HA GLU 75 17.031 3.280 -16.096 609 1HB GLU 75 1HB GLU 75 17.455 0.866 -16.148 610 2HB GLU 75 2HB GLU 75 19.167 1.156 -16.408 611 1HG GLU 75 1HG GLU 75 19.211 2.327 -14.195 612 2HG GLU 75 2HG GLU 75 17.554 1.775 -13.946 613 H ASP 76 H ASP 76 17.932 4.865 -14.916 614 HA ASP 76 HA ASP 76 19.953 6.459 -16.026 615 1HB ASP 76 1HB ASP 76 18.254 7.403 -14.582 616 2HB ASP 76 2HB ASP 76 18.814 6.432 -13.226 617 H SER 77 H SER 77 20.121 3.901 -13.657 618 HA SER 77 HA SER 77 22.662 4.605 -12.606 619 1HB SER 77 1HB SER 77 21.293 1.911 -12.520 620 2HB SER 77 2HB SER 77 22.538 2.508 -11.422 621 HG SER 77 HG SER 77 20.904 4.289 -11.038 622 H THR 78 H THR 78 21.655 2.031 -14.883 623 HA THR 78 HA THR 78 24.435 1.351 -15.354 624 HB THR 78 HB THR 78 23.315 -0.315 -16.993 625 HG1 THR 78 HG1 THR 78 21.043 -0.039 -15.368 626 1HG2 THR 78 1HG2 THR 78 22.830 -1.862 -15.153 627 2HG2 THR 78 2HG2 THR 78 22.826 -0.514 -14.016 628 3HG2 THR 78 3HG2 THR 78 24.314 -0.960 -14.851 629 H ASN 79 H ASN 79 22.070 3.357 -16.786 630 HA ASN 79 HA ASN 79 21.986 4.632 -18.654 631 1HB ASN 79 1HB ASN 79 24.945 4.057 -18.641 632 2HB ASN 79 2HB ASN 79 24.191 5.057 -19.873 633 1HD2 ASN 79 2HD2 ASN 79 25.208 4.846 -16.591 634 2HD2 ASN 79 1HD2 ASN 79 24.923 6.505 -16.175 635 H GLU 80 H GLU 80 21.652 1.666 -18.793 636 HA GLU 80 HA GLU 80 22.111 1.403 -21.685 637 1HB GLU 80 1HB GLU 80 22.213 -1.003 -21.417 638 2HB GLU 80 2HB GLU 80 23.415 -0.230 -20.396 639 1HG GLU 80 1HG GLU 80 22.042 -0.579 -18.444 640 2HG GLU 80 2HG GLU 80 20.749 -1.248 -19.441 641 H VAL 81 H VAL 81 20.554 -0.147 -22.720 642 HA VAL 81 HA VAL 81 17.867 0.709 -22.024 643 HB VAL 81 HB VAL 81 18.723 -1.052 -24.321 644 1HG1 VAL 81 1HG1 VAL 81 16.296 0.686 -23.904 645 2HG1 VAL 81 2HG1 VAL 81 16.340 -1.075 -23.848 646 3HG1 VAL 81 3HG1 VAL 81 16.659 -0.235 -25.366 647 1HG2 VAL 81 1HG2 VAL 81 18.424 1.944 -24.353 648 2HG2 VAL 81 2HG2 VAL 81 18.923 0.904 -25.690 649 3HG2 VAL 81 3HG2 VAL 81 19.966 1.096 -24.283 650 H ILE 82 H ILE 82 16.861 -0.455 -20.512 651 HA ILE 82 HA ILE 82 17.559 -3.263 -20.173 652 HB ILE 82 HB ILE 82 16.079 -3.108 -18.135 653 1HG1 ILE 82 1HG1 ILE 82 16.208 -0.144 -18.720 654 2HG1 ILE 82 2HG1 ILE 82 14.771 -1.135 -18.925 655 1HG2 ILE 82 1HG2 ILE 82 18.450 -1.262 -18.360 656 2HG2 ILE 82 2HG2 ILE 82 18.477 -2.979 -17.955 657 3HG2 ILE 82 3HG2 ILE 82 17.746 -1.821 -16.842 658 1HD1 ILE 82 1HD1 ILE 82 14.769 -1.625 -16.534 659 2HD1 ILE 82 2HD1 ILE 82 14.687 0.109 -16.846 660 3HD1 ILE 82 3HD1 ILE 82 16.207 -0.625 -16.331 661 H ARG 83 H ARG 83 15.330 -1.542 -21.924 662 HA ARG 83 HA ARG 83 13.938 -3.891 -22.692 663 1HB ARG 83 1HB ARG 83 12.869 -2.814 -20.421 664 2HB ARG 83 2HB ARG 83 11.947 -1.976 -21.661 665 1HG ARG 83 1HG ARG 83 10.644 -3.830 -21.217 666 2HG ARG 83 2HG ARG 83 11.564 -4.345 -22.633 667 1HD ARG 83 1HD ARG 83 13.166 -5.474 -21.158 668 2HD ARG 83 2HD ARG 83 12.220 -4.981 -19.760 669 HE ARG 83 HE ARG 83 10.989 -6.661 -21.843 670 1HH1 ARG 83 1HH1 ARG 83 12.095 -6.198 -18.558 671 2HH1 ARG 83 2HH1 ARG 83 11.328 -7.630 -17.943 672 1HH2 ARG 83 1HH2 ARG 83 9.934 -8.544 -21.035 673 2HH2 ARG 83 2HH2 ARG 83 10.052 -8.947 -19.347 674 H GLU 84 H GLU 84 13.264 -3.606 -24.757 675 HA GLU 84 HA GLU 84 12.713 -0.859 -25.657 676 1HB GLU 84 1HB GLU 84 13.449 -3.276 -27.327 677 2HB GLU 84 2HB GLU 84 13.104 -1.670 -27.954 678 1HG GLU 84 1HG GLU 84 15.035 -0.827 -26.601 679 2HG GLU 84 2HG GLU 84 15.422 -2.507 -26.231 680 H ILE 85 H ILE 85 10.620 -0.429 -25.736 681 HA ILE 85 HA ILE 85 8.761 -2.702 -25.939 682 HB ILE 85 HB ILE 85 8.279 0.009 -24.691 683 1HG1 ILE 85 1HG1 ILE 85 8.734 -2.687 -23.389 684 2HG1 ILE 85 2HG1 ILE 85 9.906 -1.376 -23.444 685 1HG2 ILE 85 1HG2 ILE 85 6.246 -0.989 -25.580 686 2HG2 ILE 85 2HG2 ILE 85 6.229 -1.009 -23.816 687 3HG2 ILE 85 3HG2 ILE 85 6.586 -2.485 -24.712 688 1HD1 ILE 85 1HD1 ILE 85 7.231 -1.284 -22.075 689 2HD1 ILE 85 2HD1 ILE 85 8.418 0.020 -22.116 690 3HD1 ILE 85 3HD1 ILE 85 8.795 -1.491 -21.287 691 HA PRO 86 HA PRO 86 7.545 -0.778 -29.847 692 1HB PRO 86 1HB PRO 86 5.991 -2.819 -30.658 693 2HB PRO 86 2HB PRO 86 7.755 -2.934 -30.702 694 1HG PRO 86 1HG PRO 86 5.865 -3.929 -28.584 695 2HG PRO 86 2HG PRO 86 7.158 -4.827 -29.400 696 1HD PRO 86 1HD PRO 86 7.541 -3.738 -26.985 697 2HD PRO 86 2HD PRO 86 8.836 -3.733 -28.204 698 HA PRO 87 HA PRO 87 3.762 1.175 -28.665 699 1HB PRO 87 1HB PRO 87 2.780 0.693 -31.429 700 2HB PRO 87 2HB PRO 87 2.911 2.209 -30.530 701 1HG PRO 87 1HG PRO 87 4.637 1.636 -32.469 702 2HG PRO 87 2HG PRO 87 5.176 2.434 -30.978 703 1HD PRO 87 1HD PRO 87 5.479 -0.422 -31.821 704 2HD PRO 87 2HD PRO 87 6.620 0.626 -30.951 705 H LYS 88 H LYS 88 3.414 -1.725 -30.655 706 HA LYS 88 HA LYS 88 0.744 -2.290 -29.781 707 1HB LYS 88 1HB LYS 88 1.123 -4.461 -30.980 708 2HB LYS 88 2HB LYS 88 1.379 -3.026 -31.962 709 1HG LYS 88 1HG LYS 88 3.826 -3.255 -31.524 710 2HG LYS 88 2HG LYS 88 3.479 -4.797 -30.737 711 1HD LYS 88 1HD LYS 88 4.167 -5.113 -33.065 712 2HD LYS 88 2HD LYS 88 2.504 -5.644 -32.806 713 1HE LYS 88 1HE LYS 88 1.683 -3.541 -33.737 714 2HE LYS 88 2HE LYS 88 3.340 -2.990 -33.974 715 1HZ LYS 88 1HZ LYS 88 2.255 -3.898 -35.996 716 2HZ LYS 88 2HZ LYS 88 2.213 -5.422 -35.246 717 3HZ LYS 88 3HZ LYS 88 3.701 -4.680 -35.583 718 H ARG 89 H ARG 89 3.504 -2.391 -28.110 719 HA ARG 89 HA ARG 89 2.541 -4.586 -26.390 720 1HB ARG 89 1HB ARG 89 4.707 -5.055 -27.648 721 2HB ARG 89 2HB ARG 89 5.430 -3.759 -26.708 722 1HG ARG 89 1HG ARG 89 6.050 -5.604 -25.511 723 2HG ARG 89 2HG ARG 89 4.575 -5.122 -24.671 724 1HD ARG 89 1HD ARG 89 4.458 -7.457 -24.971 725 2HD ARG 89 2HD ARG 89 3.338 -6.755 -26.132 726 HE ARG 89 HE ARG 89 5.753 -7.082 -27.450 727 1HH1 ARG 89 1HH1 ARG 89 3.350 -9.106 -25.913 728 2HH1 ARG 89 2HH1 ARG 89 3.744 -10.515 -26.850 729 1HH2 ARG 89 1HH2 ARG 89 6.294 -8.939 -28.678 730 2HH2 ARG 89 2HH2 ARG 89 5.434 -10.432 -28.400 731 H TRP 90 H TRP 90 2.820 -1.393 -26.766 732 HA TRP 90 HA TRP 90 4.026 -0.506 -24.352 733 1HB TRP 90 1HB TRP 90 3.888 0.889 -26.361 734 2HB TRP 90 2HB TRP 90 2.134 0.891 -26.256 735 HD1 TRP 90 HD1 TRP 90 1.352 3.183 -25.500 736 HE1 TRP 90 HE1 TRP 90 2.129 4.939 -23.789 737 HE3 TRP 90 HE3 TRP 90 5.548 0.830 -23.764 738 HZ2 TRP 90 HZ2 TRP 90 4.238 5.279 -21.945 739 HZ3 TRP 90 HZ3 TRP 90 6.886 1.939 -22.028 740 HH2 TRP 90 HH2 TRP 90 6.244 4.118 -21.137 741 H LEU 91 H LEU 91 0.848 -1.498 -25.277 742 HA LEU 91 HA LEU 91 -0.607 -0.351 -23.143 743 1HB LEU 91 1HB LEU 91 -1.203 -2.818 -24.779 744 2HB LEU 91 2HB LEU 91 -2.350 -1.981 -23.748 745 HG LEU 91 HG LEU 91 -1.022 -0.760 -26.172 746 1HD1 LEU 91 1HD1 LEU 91 -3.811 -1.850 -25.828 747 2HD1 LEU 91 2HD1 LEU 91 -2.531 -2.567 -26.805 748 3HD1 LEU 91 3HD1 LEU 91 -3.200 -0.996 -27.246 749 1HD2 LEU 91 1HD2 LEU 91 -3.302 0.210 -24.452 750 2HD2 LEU 91 2HD2 LEU 91 -2.666 1.012 -25.889 751 3HD2 LEU 91 3HD2 LEU 91 -1.664 0.858 -24.446 752 H ASP 92 H ASP 92 1.102 -3.395 -23.565 753 HA ASP 92 HA ASP 92 0.296 -4.752 -21.277 754 1HB ASP 92 1HB ASP 92 3.023 -4.744 -22.588 755 2HB ASP 92 2HB ASP 92 2.449 -5.954 -21.448 756 H PHE 93 H PHE 93 3.028 -2.547 -21.738 757 HA PHE 93 HA PHE 93 3.874 -2.682 -19.023 758 1HB PHE 93 1HB PHE 93 5.378 -2.163 -20.942 759 2HB PHE 93 2HB PHE 93 4.563 -0.615 -21.123 760 HD1 PHE 93 HD1 PHE 93 6.220 -2.602 -18.427 761 HD2 PHE 93 HD2 PHE 93 5.603 1.205 -20.221 762 HE1 PHE 93 HE1 PHE 93 7.805 -1.601 -16.832 763 HE2 PHE 93 HE2 PHE 93 7.182 2.218 -18.626 764 HZ PHE 93 HZ PHE 93 8.286 0.813 -16.930 765 H TYR 94 H TYR 94 1.935 -0.405 -20.908 766 HA TYR 94 HA TYR 94 1.745 1.621 -18.969 767 1HB TYR 94 1HB TYR 94 1.115 1.963 -21.320 768 2HB TYR 94 2HB TYR 94 -0.252 0.872 -21.119 769 HD1 TYR 94 HD1 TYR 94 1.158 4.041 -19.747 770 HD2 TYR 94 HD2 TYR 94 -2.335 1.746 -20.548 771 HE1 TYR 94 HE1 TYR 94 -0.239 5.935 -19.041 772 HE2 TYR 94 HE2 TYR 94 -3.743 3.637 -19.844 773 HH TYR 94 HH TYR 94 -2.397 6.794 -19.171 774 H ALA 95 H ALA 95 -0.365 -1.171 -19.613 775 HA ALA 95 HA ALA 95 -2.305 -0.549 -17.655 776 1HB ALA 95 1HB ALA 95 -1.553 -3.242 -18.790 777 2HB ALA 95 2HB ALA 95 -2.736 -2.124 -19.470 778 3HB ALA 95 3HB ALA 95 -3.029 -2.872 -17.900 779 H ALA 96 H ALA 96 0.669 -2.436 -17.552 780 HA ALA 96 HA ALA 96 0.361 -3.494 -14.964 781 1HB ALA 96 1HB ALA 96 2.760 -3.907 -15.039 782 2HB ALA 96 2HB ALA 96 2.912 -2.836 -16.432 783 3HB ALA 96 3HB ALA 96 2.000 -4.339 -16.570 784 H MET 97 H MET 97 2.006 -0.571 -16.114 785 HA MET 97 HA MET 97 2.948 0.261 -13.580 786 1HB MET 97 1HB MET 97 2.547 1.692 -16.196 787 2HB MET 97 2HB MET 97 3.141 2.529 -14.768 788 1HG MET 97 1HG MET 97 4.466 0.055 -15.806 789 2HG MET 97 2HG MET 97 4.846 1.653 -16.440 790 1HE MET 97 1HE MET 97 6.371 3.487 -13.396 791 2HE MET 97 2HE MET 97 4.693 3.542 -13.938 792 3HE MET 97 3HE MET 97 6.003 3.550 -15.119 793 H THR 98 H THR 98 0.063 1.204 -15.445 794 HA THR 98 HA THR 98 -0.665 3.310 -13.726 795 HB THR 98 HB THR 98 -2.977 2.999 -14.770 796 HG1 THR 98 HG1 THR 98 -1.579 1.277 -16.552 797 1HG2 THR 98 1HG2 THR 98 -1.350 4.629 -15.575 798 2HG2 THR 98 2HG2 THR 98 -2.219 3.900 -16.926 799 3HG2 THR 98 3HG2 THR 98 -0.572 3.388 -16.554 800 H GLU 99 H GLU 99 -1.444 -0.129 -13.599 801 HA GLU 99 HA GLU 99 -3.366 0.222 -11.503 802 1HB GLU 99 1HB GLU 99 -1.896 -2.243 -12.443 803 2HB GLU 99 2HB GLU 99 -3.129 -2.253 -11.191 804 1HG GLU 99 1HG GLU 99 -4.652 -1.188 -12.966 805 2HG GLU 99 2HG GLU 99 -3.429 -1.720 -14.122 806 H PHE 100 H PHE 100 0.028 -0.831 -11.594 807 HA PHE 100 HA PHE 100 0.119 -1.248 -8.768 808 1HB PHE 100 1HB PHE 100 1.546 -2.475 -10.414 809 2HB PHE 100 2HB PHE 100 2.443 -0.985 -10.686 810 HD1 PHE 100 HD1 PHE 100 4.329 -0.545 -9.409 811 HD2 PHE 100 HD2 PHE 100 1.413 -3.284 -7.947 812 HE1 PHE 100 HE1 PHE 100 5.792 -1.085 -7.508 813 HE2 PHE 100 HE2 PHE 100 2.874 -3.828 -6.043 814 HZ PHE 100 HZ PHE 100 5.066 -2.725 -5.823 815 H LEU 101 H LEU 101 1.402 1.286 -10.917 816 HA LEU 101 HA LEU 101 2.551 2.732 -8.707 817 1HB LEU 101 1HB LEU 101 2.309 3.276 -11.649 818 2HB LEU 101 2HB LEU 101 2.863 4.520 -10.546 819 HG LEU 101 HG LEU 101 4.743 3.411 -11.627 820 1HD1 LEU 101 1HD1 LEU 101 5.054 4.260 -9.378 821 2HD1 LEU 101 2HD1 LEU 101 6.018 2.807 -9.643 822 3HD1 LEU 101 3HD1 LEU 101 4.526 2.716 -8.708 823 1HD2 LEU 101 1HD2 LEU 101 3.773 1.244 -12.069 824 2HD2 LEU 101 2HD2 LEU 101 3.690 0.901 -10.340 825 3HD2 LEU 101 3HD2 LEU 101 5.258 1.059 -11.135 826 H GLY 102 H GLY 102 -0.386 2.852 -10.583 827 1HA GLY 102 1HA GLY 102 -1.131 5.509 -9.891 828 2HA GLY 102 2HA GLY 102 -2.189 4.282 -10.559 829 H LEU 103 H LEU 103 -1.268 2.563 -8.133 830 HA LEU 103 HA LEU 103 -3.320 3.590 -6.350 831 1HB LEU 103 1HB LEU 103 -2.973 1.498 -5.060 832 2HB LEU 103 2HB LEU 103 -3.456 1.251 -6.723 833 HG LEU 103 HG LEU 103 -0.950 0.865 -7.186 834 1HD1 LEU 103 1HD1 LEU 103 -0.090 1.684 -5.059 835 2HD1 LEU 103 2HD1 LEU 103 0.326 -0.012 -5.305 836 3HD1 LEU 103 3HD1 LEU 103 -0.982 0.424 -4.205 837 1HD2 LEU 103 1HD2 LEU 103 -1.155 -1.492 -6.536 838 2HD2 LEU 103 2HD2 LEU 103 -2.612 -0.877 -7.315 839 3HD2 LEU 103 3HD2 LEU 103 -2.569 -1.084 -5.565 840 H PHE 104 H PHE 104 -0.114 4.138 -6.749 841 HA PHE 104 HA PHE 104 0.392 4.709 -3.925 842 1HB PHE 104 1HB PHE 104 2.102 4.955 -6.407 843 2HB PHE 104 2HB PHE 104 2.604 5.588 -4.847 844 HD1 PHE 104 HD1 PHE 104 2.495 2.743 -6.967 845 HD2 PHE 104 HD2 PHE 104 2.774 3.951 -2.906 846 HE1 PHE 104 HE1 PHE 104 3.443 0.552 -6.392 847 HE2 PHE 104 HE2 PHE 104 3.717 1.759 -2.317 848 HZ PHE 104 HZ PHE 104 4.056 0.057 -4.062 849 H VAL 105 H VAL 105 0.162 6.340 -7.048 850 HA VAL 105 HA VAL 105 0.118 8.956 -5.828 851 HB VAL 105 HB VAL 105 -0.690 9.406 -8.398 852 1HG1 VAL 105 1HG1 VAL 105 1.143 10.522 -7.235 853 2HG1 VAL 105 2HG1 VAL 105 1.649 9.990 -8.838 854 3HG1 VAL 105 3HG1 VAL 105 2.142 9.080 -7.409 855 1HG2 VAL 105 1HG2 VAL 105 0.610 7.990 -9.874 856 2HG2 VAL 105 2HG2 VAL 105 -0.534 7.016 -8.951 857 3HG2 VAL 105 3HG2 VAL 105 1.171 7.038 -8.501 858 H ASP 106 H ASP 106 -1.615 9.358 -4.658 859 HA ASP 106 HA ASP 106 -4.138 8.126 -5.154 860 1HB ASP 106 1HB ASP 106 -3.348 8.399 -2.897 861 2HB ASP 106 2HB ASP 106 -3.226 10.143 -3.102 862 H GLU 107 H GLU 107 -4.563 9.056 -7.262 863 HA GLU 107 HA GLU 107 -5.854 10.324 -8.626 864 1HB GLU 107 1HB GLU 107 -7.520 9.517 -7.009 865 2HB GLU 107 2HB GLU 107 -7.263 10.952 -6.027 866 1HG GLU 107 1HG GLU 107 -9.283 11.176 -7.319 867 2HG GLU 107 2HG GLU 107 -8.085 12.346 -7.865 868 H LYS 108 H LYS 108 -6.336 12.627 -5.957 869 HA LYS 108 HA LYS 108 -5.742 14.823 -7.648 870 1HB LYS 108 1HB LYS 108 -6.401 14.456 -4.787 871 2HB LYS 108 2HB LYS 108 -5.492 15.909 -5.178 872 1HG LYS 108 1HG LYS 108 -8.090 15.107 -6.476 873 2HG LYS 108 2HG LYS 108 -7.931 16.262 -5.149 874 1HD LYS 108 1HD LYS 108 -6.427 17.621 -6.591 875 2HD LYS 108 2HD LYS 108 -6.761 16.510 -7.918 876 1HE LYS 108 1HE LYS 108 -8.858 18.100 -6.445 877 2HE LYS 108 2HE LYS 108 -8.124 18.591 -7.969 878 1HZ LYS 108 1HZ LYS 108 -10.145 17.565 -8.507 879 2HZ LYS 108 2HZ LYS 108 -9.881 16.261 -7.458 880 3HZ LYS 108 3HZ LYS 108 -8.958 16.410 -8.876 881 H LYS 109 H LYS 109 -3.830 12.710 -5.807 882 HA LYS 109 HA LYS 109 -1.513 14.444 -5.652 883 1HB LYS 109 1HB LYS 109 -1.981 11.541 -4.943 884 2HB LYS 109 2HB LYS 109 -0.403 12.300 -4.831 885 1HG LYS 109 1HG LYS 109 -1.536 12.172 -2.663 886 2HG LYS 109 2HG LYS 109 -1.215 13.836 -3.146 887 1HD LYS 109 1HD LYS 109 -3.490 14.211 -3.695 888 2HD LYS 109 2HD LYS 109 -3.864 12.490 -3.625 889 1HE LYS 109 1HE LYS 109 -2.924 14.030 -1.224 890 2HE LYS 109 2HE LYS 109 -4.627 13.929 -1.673 891 1HZ LYS 109 1HZ LYS 109 -2.848 11.621 -1.075 892 2HZ LYS 109 2HZ LYS 109 -4.482 11.518 -1.522 893 3HZ LYS 109 3HZ LYS 109 -4.048 12.248 -0.050 894 H LEU 110 H LEU 110 -2.985 12.712 -8.039 895 HA LEU 110 HA LEU 110 -0.802 11.503 -9.384 896 1HB LEU 110 1HB LEU 110 -3.550 12.370 -10.224 897 2HB LEU 110 2HB LEU 110 -2.414 11.769 -11.403 898 HG LEU 110 HG LEU 110 -3.272 10.180 -8.997 899 1HD1 LEU 110 1HD1 LEU 110 -4.348 10.102 -11.817 900 2HD1 LEU 110 2HD1 LEU 110 -5.222 10.656 -10.388 901 3HD1 LEU 110 3HD1 LEU 110 -4.746 8.964 -10.531 902 1HD2 LEU 110 1HD2 LEU 110 -2.403 8.303 -10.294 903 2HD2 LEU 110 2HD2 LEU 110 -1.154 9.512 -9.998 904 3HD2 LEU 110 3HD2 LEU 110 -1.926 9.411 -11.579 905 H GLU 111 H GLU 111 -2.297 14.641 -9.516 906 HA GLU 111 HA GLU 111 -1.774 16.623 -10.457 907 1HB GLU 111 1HB GLU 111 0.573 16.071 -9.666 908 2HB GLU 111 2HB GLU 111 0.887 15.456 -11.284 909 1HG GLU 111 1HG GLU 111 0.200 17.718 -12.142 910 2HG GLU 111 2HG GLU 111 0.236 18.270 -10.471 911 H HIS 112 H HIS 112 -2.118 13.787 -12.077 912 HA HIS 112 HA HIS 112 -1.751 14.752 -14.769 913 1HB HIS 112 1HB HIS 112 -3.164 12.276 -13.728 914 2HB HIS 112 2HB HIS 112 -2.892 12.631 -15.427 915 HD1 HIS 112 HD1 HIS 112 -1.437 10.507 -15.765 916 HD2 HIS 112 HD2 HIS 112 0.022 13.155 -12.904 917 HE1 HIS 112 HE1 HIS 112 0.870 9.694 -15.189 918 H HIS 113 H HIS 113 -3.316 15.539 -16.131 919 HA HIS 113 HA HIS 113 -5.290 17.128 -14.971 920 1HB HIS 113 1HB HIS 113 -4.944 16.185 -17.813 921 2HB HIS 113 2HB HIS 113 -6.185 17.337 -17.339 922 HD1 HIS 113 HD1 HIS 113 -5.054 19.092 -18.906 923 HD2 HIS 113 HD2 HIS 113 -2.694 17.837 -15.717 924 HE1 HIS 113 HE1 HIS 113 -3.140 20.725 -18.785 925 H HIS 114 H HIS 114 -5.893 14.307 -17.073 926 HA HIS 114 HA HIS 114 -8.183 13.616 -15.385 927 1HB HIS 114 1HB HIS 114 -8.348 13.936 -18.396 928 2HB HIS 114 2HB HIS 114 -9.600 13.209 -17.397 929 HD1 HIS 114 HD1 HIS 114 -11.231 14.776 -16.243 930 HD2 HIS 114 HD2 HIS 114 -8.053 16.758 -18.062 931 HE1 HIS 114 HE1 HIS 114 -11.805 17.228 -16.141 932 H HIS 115 H HIS 115 -7.169 11.786 -14.645 933 HA HIS 115 HA HIS 115 -6.427 9.829 -16.716 934 1HB HIS 115 1HB HIS 115 -4.518 10.472 -15.321 935 2HB HIS 115 2HB HIS 115 -5.409 10.026 -13.871 936 HD1 HIS 115 HD1 HIS 115 -3.350 8.601 -16.630 937 HD2 HIS 115 HD2 HIS 115 -5.687 7.222 -13.466 938 HE1 HIS 115 HE1 HIS 115 -2.802 6.161 -16.385 939 H HIS 116 H HIS 116 -8.649 9.246 -16.882 940 HA HIS 116 HA HIS 116 -9.072 6.873 -15.362 941 1HB HIS 116 1HB HIS 116 -10.147 8.693 -13.925 942 2HB HIS 116 2HB HIS 116 -11.333 8.867 -15.216 943 HD1 HIS 116 HD1 HIS 116 -13.299 7.317 -15.124 944 HD2 HIS 116 HD2 HIS 116 -10.110 5.976 -12.813 945 HE1 HIS 116 HE1 HIS 116 -14.142 5.281 -13.916 946 H HIS 117 H HIS 117 -8.792 6.022 -17.397 947 HA HIS 117 HA HIS 117 -11.160 6.163 -19.109 948 1HB HIS 117 1HB HIS 117 -9.514 7.727 -20.068 949 2HB HIS 117 2HB HIS 117 -8.304 6.450 -20.084 950 HD1 HIS 117 HD1 HIS 117 -7.915 6.047 -22.490 951 HD2 HIS 117 HD2 HIS 117 -11.975 6.264 -21.591 952 HE1 HIS 117 HE1 HIS 117 -9.118 5.478 -24.629 Start of MODEL 6 1 HA LEU 1 HA LEU 1 1.084 1.558 -0.407 2 1HB LEU 1 1HB LEU 1 1.246 1.418 -3.406 3 2HB LEU 1 2HB LEU 1 2.598 0.930 -2.405 4 HG LEU 1 HG LEU 1 0.961 -0.683 -1.268 5 1HD1 LEU 1 1HD1 LEU 1 -0.941 -1.392 -2.620 6 2HD1 LEU 1 2HD1 LEU 1 -0.614 -0.096 -3.770 7 3HD1 LEU 1 3HD1 LEU 1 -1.108 0.292 -2.121 8 1HD2 LEU 1 1HD2 LEU 1 2.733 -1.416 -2.748 9 2HD2 LEU 1 2HD2 LEU 1 1.725 -1.079 -4.155 10 3HD2 LEU 1 3HD2 LEU 1 1.270 -2.360 -3.031 11 H ASN 2 H ASN 2 3.242 2.125 -0.050 12 HA ASN 2 HA ASN 2 3.771 4.930 -0.159 13 1HB ASN 2 1HB ASN 2 4.460 3.067 1.582 14 2HB ASN 2 2HB ASN 2 5.851 2.877 0.528 15 1HD2 ASN 2 2HD2 ASN 2 5.754 5.847 -0.074 16 2HD2 ASN 2 1HD2 ASN 2 6.456 6.577 1.326 17 H ILE 3 H ILE 3 4.512 5.934 -1.967 18 HA ILE 3 HA ILE 3 5.803 4.309 -4.024 19 HB ILE 3 HB ILE 3 3.894 5.746 -4.652 20 1HG1 ILE 3 1HG1 ILE 3 6.485 6.623 -5.945 21 2HG1 ILE 3 2HG1 ILE 3 5.641 5.120 -6.301 22 1HG2 ILE 3 1HG2 ILE 3 4.153 8.171 -4.773 23 2HG2 ILE 3 2HG2 ILE 3 5.734 8.043 -4.003 24 3HG2 ILE 3 3HG2 ILE 3 4.281 7.593 -3.112 25 1HD1 ILE 3 1HD1 ILE 3 5.205 6.815 -7.984 26 2HD1 ILE 3 2HD1 ILE 3 4.559 7.890 -6.744 27 3HD1 ILE 3 3HD1 ILE 3 3.730 6.381 -7.121 28 H GLU 4 H GLU 4 6.571 6.751 -1.711 29 HA GLU 4 HA GLU 4 8.914 7.755 -2.957 30 1HB GLU 4 1HB GLU 4 8.328 7.731 0.004 31 2HB GLU 4 2HB GLU 4 9.385 8.835 -0.867 32 1HG GLU 4 1HG GLU 4 7.576 10.175 -0.658 33 2HG GLU 4 2HG GLU 4 7.135 9.369 -2.162 34 H ARG 5 H ARG 5 8.358 4.715 -1.885 35 HA ARG 5 HA ARG 5 11.183 4.300 -1.146 36 1HB ARG 5 1HB ARG 5 8.916 2.391 -0.581 37 2HB ARG 5 2HB ARG 5 10.553 2.321 0.045 38 1HG ARG 5 1HG ARG 5 10.131 4.353 1.348 39 2HG ARG 5 2HG ARG 5 8.475 4.385 0.734 40 1HD ARG 5 1HD ARG 5 9.766 2.369 2.544 41 2HD ARG 5 2HD ARG 5 8.332 3.352 2.839 42 HE ARG 5 HE ARG 5 8.048 1.559 0.609 43 1HH1 ARG 5 1HH1 ARG 5 7.676 1.904 4.072 44 2HH1 ARG 5 2HH1 ARG 5 6.618 0.534 4.222 45 1HH2 ARG 5 1HH2 ARG 5 6.677 -0.226 0.790 46 2HH2 ARG 5 2HH2 ARG 5 6.058 -0.695 2.347 47 H LEU 6 H LEU 6 9.010 4.059 -3.592 48 HA LEU 6 HA LEU 6 9.484 1.449 -4.589 49 1HB LEU 6 1HB LEU 6 7.504 2.820 -5.159 50 2HB LEU 6 2HB LEU 6 8.541 3.913 -6.055 51 HG LEU 6 HG LEU 6 9.130 2.052 -7.579 52 1HD1 LEU 6 1HD1 LEU 6 7.776 0.013 -7.542 53 2HD1 LEU 6 2HD1 LEU 6 7.007 0.556 -6.051 54 3HD1 LEU 6 3HD1 LEU 6 8.731 0.188 -6.069 55 1HD2 LEU 6 1HD2 LEU 6 6.184 2.634 -7.318 56 2HD2 LEU 6 2HD2 LEU 6 6.986 2.007 -8.759 57 3HD2 LEU 6 3HD2 LEU 6 7.370 3.625 -8.169 58 H THR 7 H THR 7 11.580 0.917 -4.931 59 HA THR 7 HA THR 7 13.293 2.858 -6.340 60 HB THR 7 HB THR 7 14.202 0.391 -4.860 61 HG1 THR 7 HG1 THR 7 12.935 2.178 -3.661 62 1HG2 THR 7 1HG2 THR 7 16.319 1.636 -4.680 63 2HG2 THR 7 2HG2 THR 7 15.611 2.958 -5.610 64 3HG2 THR 7 3HG2 THR 7 15.852 1.380 -6.362 65 H THR 8 H THR 8 11.672 -0.131 -6.708 66 HA THR 8 HA THR 8 13.188 -0.689 -9.157 67 HB THR 8 HB THR 8 13.980 -2.263 -7.459 68 HG1 THR 8 HG1 THR 8 13.641 -2.986 -9.669 69 1HG2 THR 8 1HG2 THR 8 11.082 -3.063 -7.211 70 2HG2 THR 8 2HG2 THR 8 12.058 -2.271 -5.975 71 3HG2 THR 8 3HG2 THR 8 12.439 -3.919 -6.480 72 H LEU 9 H LEU 9 12.014 -1.671 -10.829 73 HA LEU 9 HA LEU 9 9.097 -1.516 -10.532 74 1HB LEU 9 1HB LEU 9 10.848 -1.565 -12.988 75 2HB LEU 9 2HB LEU 9 9.097 -1.629 -13.041 76 HG LEU 9 HG LEU 9 10.776 0.656 -12.006 77 1HD1 LEU 9 1HD1 LEU 9 9.810 1.875 -13.888 78 2HD1 LEU 9 2HD1 LEU 9 8.969 0.413 -14.406 79 3HD1 LEU 9 3HD1 LEU 9 10.731 0.474 -14.433 80 1HD2 LEU 9 1HD2 LEU 9 8.668 1.845 -11.714 81 2HD2 LEU 9 2HD2 LEU 9 8.739 0.415 -10.684 82 3HD2 LEU 9 3HD2 LEU 9 7.776 0.392 -12.162 83 H GLN 10 H GLN 10 10.933 -3.705 -9.648 84 HA GLN 10 HA GLN 10 10.807 -5.966 -11.203 85 1HB GLN 10 1HB GLN 10 12.055 -5.843 -9.106 86 2HB GLN 10 2HB GLN 10 10.555 -5.808 -8.195 87 1HG GLN 10 1HG GLN 10 11.592 -8.007 -8.146 88 2HG GLN 10 2HG GLN 10 10.019 -8.049 -8.936 89 1HE2 GLN 10 2HE2 GLN 10 9.884 -8.515 -11.104 90 2HE2 GLN 10 1HE2 GLN 10 11.235 -9.081 -12.036 91 HA PRO 11 HA PRO 11 6.427 -7.085 -9.290 92 1HB PRO 11 1HB PRO 11 5.395 -4.350 -8.789 93 2HB PRO 11 2HB PRO 11 5.174 -5.828 -7.847 94 1HG PRO 11 1HG PRO 11 6.791 -3.897 -6.981 95 2HG PRO 11 2HG PRO 11 7.219 -5.606 -6.773 96 1HD PRO 11 1HD PRO 11 8.226 -3.630 -8.783 97 2HD PRO 11 2HD PRO 11 9.114 -4.872 -7.878 98 H VAL 12 H VAL 12 7.091 -4.173 -11.136 99 HA VAL 12 HA VAL 12 4.733 -4.291 -12.748 100 HB VAL 12 HB VAL 12 7.368 -2.935 -13.364 101 1HG1 VAL 12 1HG1 VAL 12 4.610 -2.499 -14.511 102 2HG1 VAL 12 2HG1 VAL 12 5.980 -3.234 -15.344 103 3HG1 VAL 12 3HG1 VAL 12 6.040 -1.535 -14.877 104 1HG2 VAL 12 1HG2 VAL 12 4.889 -1.832 -12.048 105 2HG2 VAL 12 2HG2 VAL 12 6.306 -0.895 -12.520 106 3HG2 VAL 12 3HG2 VAL 12 6.441 -2.128 -11.264 107 H TRP 13 H TRP 13 8.082 -5.351 -13.088 108 HA TRP 13 HA TRP 13 7.871 -6.384 -15.691 109 1HB TRP 13 1HB TRP 13 9.708 -7.222 -13.440 110 2HB TRP 13 2HB TRP 13 9.884 -7.719 -15.118 111 HD1 TRP 13 HD1 TRP 13 11.761 -5.696 -13.105 112 HE1 TRP 13 HE1 TRP 13 12.644 -3.549 -14.220 113 HE3 TRP 13 HE3 TRP 13 8.538 -5.462 -17.076 114 HZ2 TRP 13 HZ2 TRP 13 12.045 -1.970 -16.484 115 HZ3 TRP 13 HZ3 TRP 13 8.762 -3.594 -18.662 116 HH2 TRP 13 HH2 TRP 13 10.476 -1.886 -18.370 117 H ASP 14 H ASP 14 7.411 -7.915 -12.522 118 HA ASP 14 HA ASP 14 6.887 -10.515 -13.379 119 1HB ASP 14 1HB ASP 14 5.918 -8.935 -11.009 120 2HB ASP 14 2HB ASP 14 5.349 -10.576 -11.291 121 H ARG 15 H ARG 15 4.764 -7.717 -13.196 122 HA ARG 15 HA ARG 15 2.418 -9.191 -13.930 123 1HB ARG 15 1HB ARG 15 2.579 -6.981 -12.596 124 2HB ARG 15 2HB ARG 15 2.731 -6.207 -14.166 125 1HG ARG 15 1HG ARG 15 0.570 -6.943 -14.826 126 2HG ARG 15 2HG ARG 15 0.432 -7.997 -13.416 127 1HD ARG 15 1HD ARG 15 0.624 -5.925 -11.994 128 2HD ARG 15 2HD ARG 15 0.462 -4.987 -13.477 129 HE ARG 15 HE ARG 15 -1.761 -5.895 -13.735 130 1HH1 ARG 15 1HH1 ARG 15 -0.234 -6.431 -10.617 131 2HH1 ARG 15 2HH1 ARG 15 -1.734 -6.622 -9.764 132 1HH2 ARG 15 1HH2 ARG 15 -3.745 -6.153 -12.609 133 2HH2 ARG 15 2HH2 ARG 15 -3.721 -6.501 -10.904 134 H TYR 16 H TYR 16 4.647 -6.991 -15.578 135 HA TYR 16 HA TYR 16 3.358 -6.935 -18.083 136 1HB TYR 16 1HB TYR 16 4.987 -5.263 -17.503 137 2HB TYR 16 2HB TYR 16 6.230 -6.481 -17.264 138 HD1 TYR 16 HD1 TYR 16 4.018 -5.077 -19.932 139 HD2 TYR 16 HD2 TYR 16 7.731 -6.920 -18.964 140 HE1 TYR 16 HE1 TYR 16 4.780 -4.753 -22.250 141 HE2 TYR 16 HE2 TYR 16 8.501 -6.597 -21.273 142 HH TYR 16 HH TYR 16 7.404 -6.339 -23.551 143 H ASP 17 H ASP 17 5.948 -9.048 -16.866 144 HA ASP 17 HA ASP 17 6.369 -10.409 -19.288 145 1HB ASP 17 1HB ASP 17 7.103 -10.841 -16.469 146 2HB ASP 17 2HB ASP 17 7.024 -12.301 -17.451 147 H THR 18 H THR 18 3.865 -10.700 -16.929 148 HA THR 18 HA THR 18 2.873 -13.213 -18.024 149 HB THR 18 HB THR 18 1.479 -11.398 -16.046 150 HG1 THR 18 HG1 THR 18 3.316 -11.829 -14.962 151 1HG2 THR 18 1HG2 THR 18 0.410 -13.476 -15.310 152 2HG2 THR 18 2HG2 THR 18 1.313 -14.378 -16.526 153 3HG2 THR 18 3HG2 THR 18 0.113 -13.186 -17.026 154 H GLN 19 H GLN 19 1.953 -9.804 -17.867 155 HA GLN 19 HA GLN 19 -0.471 -9.815 -19.181 156 1HB GLN 19 1HB GLN 19 0.496 -7.960 -17.936 157 2HB GLN 19 2HB GLN 19 1.785 -7.814 -19.109 158 1HG GLN 19 1HG GLN 19 0.062 -6.077 -19.254 159 2HG GLN 19 2HG GLN 19 0.301 -6.979 -20.744 160 1HE2 GLN 19 2HE2 GLN 19 -1.322 -8.174 -21.561 161 2HE2 GLN 19 1HE2 GLN 19 -2.933 -8.179 -20.925 162 H ILE 20 H ILE 20 2.793 -9.551 -20.476 163 HA ILE 20 HA ILE 20 2.423 -9.133 -23.126 164 HB ILE 20 HB ILE 20 4.394 -10.646 -21.516 165 1HG1 ILE 20 1HG1 ILE 20 4.617 -8.457 -23.586 166 2HG1 ILE 20 2HG1 ILE 20 4.624 -8.251 -21.836 167 1HG2 ILE 20 1HG2 ILE 20 5.680 -11.386 -23.457 168 2HG2 ILE 20 2HG2 ILE 20 4.389 -10.846 -24.531 169 3HG2 ILE 20 3HG2 ILE 20 4.103 -12.174 -23.405 170 1HD1 ILE 20 1HD1 ILE 20 6.717 -9.533 -21.724 171 2HD1 ILE 20 2HD1 ILE 20 6.861 -8.082 -22.716 172 3HD1 ILE 20 3HD1 ILE 20 6.710 -9.664 -23.483 173 H HIS 21 H HIS 21 1.573 -12.015 -21.370 174 HA HIS 21 HA HIS 21 1.416 -13.712 -23.687 175 1HB HIS 21 1HB HIS 21 0.506 -14.092 -20.836 176 2HB HIS 21 2HB HIS 21 0.344 -15.322 -22.078 177 HD1 HIS 21 HD1 HIS 21 2.293 -16.839 -22.408 178 HD2 HIS 21 HD2 HIS 21 3.282 -13.396 -20.289 179 HE1 HIS 21 HE1 HIS 21 4.654 -17.192 -21.610 180 H ASN 22 H ASN 22 -0.882 -11.856 -21.724 181 HA ASN 22 HA ASN 22 -2.991 -12.614 -23.623 182 1HB ASN 22 1HB ASN 22 -3.024 -14.038 -21.507 183 2HB ASN 22 2HB ASN 22 -3.470 -12.570 -20.648 184 1HD2 ASN 22 2HD2 ASN 22 -4.508 -15.000 -22.879 185 2HD2 ASN 22 1HD2 ASN 22 -6.181 -14.555 -22.901 186 H GLN 23 H GLN 23 -3.280 -10.617 -24.521 187 HA GLN 23 HA GLN 23 -3.439 -8.256 -22.843 188 1HB GLN 23 1HB GLN 23 -3.627 -8.663 -25.824 189 2HB GLN 23 2HB GLN 23 -3.914 -7.105 -25.065 190 1HG GLN 23 1HG GLN 23 -1.685 -7.090 -25.822 191 2HG GLN 23 2HG GLN 23 -1.622 -7.264 -24.071 192 1HE2 GLN 23 2HE2 GLN 23 0.390 -8.178 -24.038 193 2HE2 GLN 23 1HE2 GLN 23 0.711 -9.778 -24.642 194 H LYS 24 H LYS 24 -5.553 -10.630 -23.443 195 HA LYS 24 HA LYS 24 -7.875 -9.059 -24.117 196 1HB LYS 24 1HB LYS 24 -7.748 -11.370 -24.892 197 2HB LYS 24 2HB LYS 24 -7.615 -11.942 -23.233 198 1HG LYS 24 1HG LYS 24 -9.862 -11.044 -22.774 199 2HG LYS 24 2HG LYS 24 -9.996 -10.570 -24.467 200 1HD LYS 24 1HD LYS 24 -9.855 -12.863 -25.173 201 2HD LYS 24 2HD LYS 24 -9.525 -13.391 -23.521 202 1HE LYS 24 1HE LYS 24 -11.736 -12.602 -22.833 203 2HE LYS 24 2HE LYS 24 -12.065 -12.083 -24.485 204 1HZ LYS 24 1HZ LYS 24 -11.464 -14.886 -23.709 205 2HZ LYS 24 2HZ LYS 24 -11.961 -14.332 -25.236 206 3HZ LYS 24 3HZ LYS 24 -13.028 -14.266 -23.918 207 H ASP 25 H ASP 25 -9.291 -8.173 -22.758 208 HA ASP 25 HA ASP 25 -9.662 -9.164 -20.084 209 1HB ASP 25 1HB ASP 25 -7.682 -7.636 -19.855 210 2HB ASP 25 2HB ASP 25 -8.702 -6.314 -20.417 211 H ASN 26 H ASN 26 -10.226 -6.421 -22.254 212 HA ASN 26 HA ASN 26 -13.071 -6.511 -21.518 213 1HB ASN 26 1HB ASN 26 -11.915 -4.303 -21.310 214 2HB ASN 26 2HB ASN 26 -11.588 -4.351 -23.039 215 1HD2 ASN 26 2HD2 ASN 26 -14.029 -3.977 -20.589 216 2HD2 ASN 26 1HD2 ASN 26 -15.257 -3.351 -21.635 217 H ASP 27 H ASP 27 -14.612 -6.908 -23.092 218 HA ASP 27 HA ASP 27 -13.556 -8.276 -25.440 219 1HB ASP 27 1HB ASP 27 -16.413 -8.142 -24.442 220 2HB ASP 27 2HB ASP 27 -15.791 -9.215 -25.690 221 H ASN 28 H ASN 28 -15.578 -5.539 -24.597 222 HA ASN 28 HA ASN 28 -16.671 -5.147 -27.185 223 1HB ASN 28 1HB ASN 28 -17.673 -4.269 -25.066 224 2HB ASN 28 2HB ASN 28 -16.370 -3.088 -24.991 225 1HD2 ASN 28 2HD2 ASN 28 -16.393 -1.334 -26.379 226 2HD2 ASN 28 1HD2 ASN 28 -17.766 -0.929 -27.358 227 H GLU 29 H GLU 29 -14.042 -3.485 -25.449 228 HA GLU 29 HA GLU 29 -12.845 -2.795 -27.997 229 1HB GLU 29 1HB GLU 29 -13.941 -0.778 -26.088 230 2HB GLU 29 2HB GLU 29 -12.430 -0.416 -26.908 231 1HG GLU 29 1HG GLU 29 -13.675 -0.970 -29.064 232 2HG GLU 29 2HG GLU 29 -15.143 -0.857 -28.093 233 H VAL 30 H VAL 30 -11.164 -4.119 -27.493 234 HA VAL 30 HA VAL 30 -9.473 -3.912 -25.289 235 HB VAL 30 HB VAL 30 -7.692 -4.732 -26.801 236 1HG1 VAL 30 1HG1 VAL 30 -10.347 -6.108 -27.173 237 2HG1 VAL 30 2HG1 VAL 30 -9.245 -6.324 -25.813 238 3HG1 VAL 30 3HG1 VAL 30 -8.765 -6.844 -27.429 239 1HG2 VAL 30 1HG2 VAL 30 -8.235 -3.467 -28.798 240 2HG2 VAL 30 2HG2 VAL 30 -9.754 -4.348 -28.966 241 3HG2 VAL 30 3HG2 VAL 30 -8.219 -5.194 -29.164 242 HA PRO 31 HA PRO 31 -7.619 0.064 -25.461 243 1HB PRO 31 1HB PRO 31 -4.922 -1.161 -25.378 244 2HB PRO 31 2HB PRO 31 -5.677 -0.026 -24.254 245 1HG PRO 31 1HG PRO 31 -5.354 -2.593 -23.599 246 2HG PRO 31 2HG PRO 31 -6.809 -1.702 -23.116 247 1HD PRO 31 1HD PRO 31 -6.442 -3.681 -25.328 248 2HD PRO 31 2HD PRO 31 -7.812 -3.473 -24.216 249 H VAL 32 H VAL 32 -8.068 0.723 -27.563 250 HA VAL 32 HA VAL 32 -6.213 0.052 -29.687 251 HB VAL 32 HB VAL 32 -8.642 1.847 -29.752 252 1HG1 VAL 32 1HG1 VAL 32 -8.456 1.691 -32.187 253 2HG1 VAL 32 2HG1 VAL 32 -6.975 0.750 -32.017 254 3HG1 VAL 32 3HG1 VAL 32 -7.018 2.430 -31.483 255 1HG2 VAL 32 1HG2 VAL 32 -8.291 -0.987 -30.727 256 2HG2 VAL 32 2HG2 VAL 32 -9.740 0.001 -30.910 257 3HG2 VAL 32 3HG2 VAL 32 -9.206 -0.489 -29.304 258 H HIS 33 H HIS 33 -7.577 3.084 -28.501 259 HA HIS 33 HA HIS 33 -6.627 5.038 -27.835 260 1HB HIS 33 1HB HIS 33 -4.500 3.152 -27.478 261 2HB HIS 33 2HB HIS 33 -3.837 4.675 -28.067 262 HD1 HIS 33 HD1 HIS 33 -3.169 6.148 -26.222 263 HD2 HIS 33 HD2 HIS 33 -6.460 3.810 -25.232 264 HE1 HIS 33 HE1 HIS 33 -3.779 6.807 -23.872 265 H GLN 34 H GLN 34 -6.041 3.648 -30.828 266 HA GLN 34 HA GLN 34 -5.408 4.406 -32.867 267 1HB GLN 34 1HB GLN 34 -5.955 7.129 -31.659 268 2HB GLN 34 2HB GLN 34 -5.733 6.804 -33.372 269 1HG GLN 34 1HG GLN 34 -7.720 5.447 -33.419 270 2HG GLN 34 2HG GLN 34 -7.921 5.622 -31.678 271 1HE2 GLN 34 2HE2 GLN 34 -9.956 6.523 -31.888 272 2HE2 GLN 34 1HE2 GLN 34 -10.209 8.128 -32.494 273 H VAL 35 H VAL 35 -3.313 3.570 -32.356 274 HA VAL 35 HA VAL 35 -1.338 5.055 -30.997 275 HB VAL 35 HB VAL 35 -0.947 2.788 -32.943 276 1HG1 VAL 35 1HG1 VAL 35 1.113 4.022 -32.520 277 2HG1 VAL 35 2HG1 VAL 35 1.172 2.418 -31.791 278 3HG1 VAL 35 3HG1 VAL 35 0.872 3.834 -30.782 279 1HG2 VAL 35 1HG2 VAL 35 -2.451 2.166 -31.133 280 2HG2 VAL 35 2HG2 VAL 35 -1.281 2.751 -29.949 281 3HG2 VAL 35 3HG2 VAL 35 -0.895 1.355 -30.954 282 H SER 36 H SER 36 -0.290 6.748 -31.621 283 HA SER 36 HA SER 36 0.744 7.024 -34.312 284 1HB SER 36 1HB SER 36 -1.544 8.082 -34.331 285 2HB SER 36 2HB SER 36 -0.990 9.186 -33.072 286 HG SER 36 HG SER 36 -0.584 9.260 -35.759 287 H TYR 37 H TYR 37 2.096 9.227 -34.288 288 HA TYR 37 HA TYR 37 4.103 8.971 -32.385 289 1HB TYR 37 1HB TYR 37 4.678 10.209 -34.311 290 2HB TYR 37 2HB TYR 37 3.307 11.301 -34.125 291 HD1 TYR 37 HD1 TYR 37 3.623 13.370 -33.131 292 HD2 TYR 37 HD2 TYR 37 6.463 10.290 -32.404 293 HE1 TYR 37 HE1 TYR 37 5.012 14.959 -31.877 294 HE2 TYR 37 HE2 TYR 37 7.866 11.873 -31.147 295 HH TYR 37 HH TYR 37 8.228 14.255 -30.931 296 H THR 38 H THR 38 1.407 11.280 -32.421 297 HA THR 38 HA THR 38 1.945 12.676 -30.090 298 HB THR 38 HB THR 38 -0.864 11.900 -30.868 299 HG1 THR 38 HG1 THR 38 0.473 14.090 -32.084 300 1HG2 THR 38 1HG2 THR 38 -1.354 14.201 -30.185 301 2HG2 THR 38 2HG2 THR 38 0.354 14.477 -29.854 302 3HG2 THR 38 3HG2 THR 38 -0.552 13.318 -28.882 303 H ASN 39 H ASN 39 0.354 9.576 -30.550 304 HA ASN 39 HA ASN 39 -0.755 9.453 -27.940 305 1HB ASN 39 1HB ASN 39 -1.254 8.151 -30.263 306 2HB ASN 39 2HB ASN 39 -0.362 6.906 -29.387 307 1HD2 ASN 39 2HD2 ASN 39 -3.123 9.025 -29.305 308 2HD2 ASN 39 1HD2 ASN 39 -4.049 8.107 -28.186 309 H LEU 40 H LEU 40 2.148 8.093 -29.434 310 HA LEU 40 HA LEU 40 3.031 6.563 -27.260 311 1HB LEU 40 1HB LEU 40 4.404 7.932 -29.534 312 2HB LEU 40 2HB LEU 40 5.377 7.314 -28.216 313 HG LEU 40 HG LEU 40 5.327 5.717 -30.030 314 1HD1 LEU 40 1HD1 LEU 40 4.576 3.748 -28.831 315 2HD1 LEU 40 2HD1 LEU 40 3.649 4.757 -27.720 316 3HD1 LEU 40 3HD1 LEU 40 5.410 4.856 -27.741 317 1HD2 LEU 40 1HD2 LEU 40 3.294 4.646 -30.771 318 2HD2 LEU 40 2HD2 LEU 40 3.176 6.389 -31.015 319 3HD2 LEU 40 3HD2 LEU 40 2.337 5.627 -29.663 320 H ALA 41 H ALA 41 3.740 9.930 -28.127 321 HA ALA 41 HA ALA 41 5.413 10.508 -25.958 322 1HB ALA 41 1HB ALA 41 5.057 12.853 -26.526 323 2HB ALA 41 2HB ALA 41 3.703 12.402 -27.561 324 3HB ALA 41 3HB ALA 41 5.338 11.880 -27.969 325 H GLU 42 H GLU 42 1.912 10.670 -26.276 326 HA GLU 42 HA GLU 42 1.327 12.169 -23.998 327 1HB GLU 42 1HB GLU 42 -0.221 10.023 -25.430 328 2HB GLU 42 2HB GLU 42 -0.886 10.906 -24.066 329 1HG GLU 42 1HG GLU 42 0.090 12.149 -26.627 330 2HG GLU 42 2HG GLU 42 -1.594 11.814 -26.229 331 H MET 43 H MET 43 1.453 8.597 -24.306 332 HA MET 43 HA MET 43 1.098 8.235 -21.501 333 1HB MET 43 1HB MET 43 1.839 6.409 -23.744 334 2HB MET 43 2HB MET 43 2.002 5.856 -22.083 335 1HG MET 43 1HG MET 43 -0.093 5.120 -22.524 336 2HG MET 43 2HG MET 43 -0.483 6.732 -21.927 337 1HE MET 43 1HE MET 43 -0.460 5.456 -26.360 338 2HE MET 43 2HE MET 43 -0.219 4.360 -25.002 339 3HE MET 43 3HE MET 43 1.020 5.552 -25.403 340 H VAL 44 H VAL 44 3.954 8.338 -23.611 341 HA VAL 44 HA VAL 44 5.859 7.508 -21.721 342 HB VAL 44 HB VAL 44 6.170 9.460 -24.015 343 1HG1 VAL 44 1HG1 VAL 44 8.316 8.144 -22.352 344 2HG1 VAL 44 2HG1 VAL 44 7.925 9.864 -22.367 345 3HG1 VAL 44 3HG1 VAL 44 8.587 9.096 -23.811 346 1HG2 VAL 44 1HG2 VAL 44 5.554 7.197 -24.676 347 2HG2 VAL 44 2HG2 VAL 44 6.898 6.548 -23.739 348 3HG2 VAL 44 3HG2 VAL 44 7.214 7.558 -25.150 349 H GLY 45 H GLY 45 4.358 10.630 -22.278 350 1HA GLY 45 1HA GLY 45 5.959 12.191 -20.583 351 2HA GLY 45 2HA GLY 45 4.291 12.538 -21.019 352 H GLU 46 H GLU 46 2.961 10.379 -19.867 353 HA GLU 46 HA GLU 46 2.951 11.324 -17.171 354 1HB GLU 46 1HB GLU 46 1.030 9.953 -16.796 355 2HB GLU 46 2HB GLU 46 0.862 10.733 -18.360 356 1HG GLU 46 1HG GLU 46 1.287 8.733 -19.519 357 2HG GLU 46 2HG GLU 46 1.898 7.932 -18.068 358 H MET 47 H MET 47 4.162 8.473 -18.797 359 HA MET 47 HA MET 47 4.578 6.791 -16.603 360 1HB MET 47 1HB MET 47 6.228 7.120 -19.112 361 2HB MET 47 2HB MET 47 6.473 5.832 -17.946 362 1HG MET 47 1HG MET 47 3.878 6.270 -19.398 363 2HG MET 47 2HG MET 47 5.165 5.232 -20.000 364 1HE MET 47 1HE MET 47 3.141 5.805 -16.549 365 2HE MET 47 2HE MET 47 2.207 4.314 -16.634 366 3HE MET 47 3HE MET 47 2.050 5.525 -17.904 367 H ASN 48 H ASN 48 6.464 9.492 -17.812 368 HA ASN 48 HA ASN 48 8.696 8.987 -16.086 369 1HB ASN 48 1HB ASN 48 7.960 11.173 -17.986 370 2HB ASN 48 2HB ASN 48 9.243 11.456 -16.814 371 1HD2 ASN 48 2HD2 ASN 48 8.281 9.707 -19.648 372 2HD2 ASN 48 1HD2 ASN 48 9.841 9.075 -20.032 373 H LYS 49 H LYS 49 5.714 10.755 -15.759 374 HA LYS 49 HA LYS 49 6.779 12.209 -13.466 375 1HB LYS 49 1HB LYS 49 4.637 13.417 -13.439 376 2HB LYS 49 2HB LYS 49 5.452 13.527 -14.988 377 1HG LYS 49 1HG LYS 49 3.228 13.230 -15.544 378 2HG LYS 49 2HG LYS 49 3.920 11.625 -15.721 379 1HD LYS 49 1HD LYS 49 1.801 11.412 -14.637 380 2HD LYS 49 2HD LYS 49 3.060 11.065 -13.457 381 1HE LYS 49 1HE LYS 49 1.744 13.759 -13.720 382 2HE LYS 49 2HE LYS 49 1.135 12.496 -12.657 383 1HZ LYS 49 1HZ LYS 49 3.535 12.526 -11.736 384 2HZ LYS 49 2HZ LYS 49 2.448 13.735 -11.261 385 3HZ LYS 49 3HZ LYS 49 3.618 14.066 -12.444 386 H LEU 50 H LEU 50 5.313 9.274 -14.029 387 HA LEU 50 HA LEU 50 3.917 9.153 -11.490 388 1HB LEU 50 1HB LEU 50 4.436 7.104 -13.635 389 2HB LEU 50 2HB LEU 50 3.638 6.717 -12.124 390 HG LEU 50 HG LEU 50 2.635 8.669 -14.199 391 1HD1 LEU 50 1HD1 LEU 50 1.656 5.934 -13.394 392 2HD1 LEU 50 2HD1 LEU 50 2.438 6.355 -14.917 393 3HD1 LEU 50 3HD1 LEU 50 0.852 7.021 -14.526 394 1HD2 LEU 50 1HD2 LEU 50 1.354 7.735 -11.633 395 2HD2 LEU 50 2HD2 LEU 50 0.633 8.814 -12.827 396 3HD2 LEU 50 3HD2 LEU 50 2.046 9.333 -11.907 397 H LEU 51 H LEU 51 7.055 8.595 -12.695 398 HA LEU 51 HA LEU 51 7.723 6.943 -10.357 399 1HB LEU 51 1HB LEU 51 8.962 7.083 -13.096 400 2HB LEU 51 2HB LEU 51 9.727 6.266 -11.746 401 HG LEU 51 HG LEU 51 6.995 5.537 -12.820 402 1HD1 LEU 51 1HD1 LEU 51 8.694 5.150 -14.523 403 2HD1 LEU 51 2HD1 LEU 51 8.126 3.621 -13.853 404 3HD1 LEU 51 3HD1 LEU 51 9.687 4.277 -13.358 405 1HD2 LEU 51 1HD2 LEU 51 8.882 4.141 -10.923 406 2HD2 LEU 51 2HD2 LEU 51 7.362 3.483 -11.529 407 3HD2 LEU 51 3HD2 LEU 51 7.356 4.915 -10.499 408 H GLU 52 H GLU 52 7.741 10.034 -10.965 409 HA GLU 52 HA GLU 52 10.508 10.648 -10.670 410 1HB GLU 52 1HB GLU 52 9.839 12.988 -10.478 411 2HB GLU 52 2HB GLU 52 9.203 12.206 -11.911 412 1HG GLU 52 1HG GLU 52 7.060 11.974 -10.829 413 2HG GLU 52 2HG GLU 52 7.706 12.736 -9.381 414 HA PRO 53 HA PRO 53 9.434 11.469 -6.068 415 1HB PRO 53 1HB PRO 53 7.305 10.277 -4.971 416 2HB PRO 53 2HB PRO 53 7.142 11.817 -5.827 417 1HG PRO 53 1HG PRO 53 6.592 9.039 -6.813 418 2HG PRO 53 2HG PRO 53 5.585 10.493 -6.970 419 1HD PRO 53 1HD PRO 53 7.208 9.606 -8.966 420 2HD PRO 53 2HD PRO 53 6.834 11.317 -8.715 421 H SER 54 H SER 54 9.599 8.697 -7.832 422 HA SER 54 HA SER 54 9.917 6.856 -5.609 423 1HB SER 54 1HB SER 54 10.185 6.361 -8.584 424 2HB SER 54 2HB SER 54 10.076 5.134 -7.322 425 HG SER 54 HG SER 54 7.983 6.232 -6.819 426 H GLN 55 H GLN 55 11.841 5.180 -6.273 427 HA GLN 55 HA GLN 55 14.281 6.838 -6.451 428 1HB GLN 55 1HB GLN 55 13.913 4.229 -4.968 429 2HB GLN 55 2HB GLN 55 15.371 5.210 -4.997 430 1HG GLN 55 1HG GLN 55 14.123 7.022 -3.887 431 2HG GLN 55 2HG GLN 55 12.724 5.960 -3.785 432 1HE2 GLN 55 2HE2 GLN 55 12.691 6.016 -1.556 433 2HE2 GLN 55 1HE2 GLN 55 13.875 5.204 -0.589 434 H VAL 56 H VAL 56 12.559 5.199 -8.411 435 HA VAL 56 HA VAL 56 14.092 2.958 -9.229 436 HB VAL 56 HB VAL 56 12.131 4.544 -10.901 437 1HG1 VAL 56 1HG1 VAL 56 13.031 1.671 -11.103 438 2HG1 VAL 56 2HG1 VAL 56 13.521 2.983 -12.175 439 3HG1 VAL 56 3HG1 VAL 56 11.836 2.461 -12.133 440 1HG2 VAL 56 1HG2 VAL 56 11.097 3.874 -8.799 441 2HG2 VAL 56 2HG2 VAL 56 11.612 2.208 -9.063 442 3HG2 VAL 56 3HG2 VAL 56 10.435 2.951 -10.147 443 H HIS 57 H HIS 57 13.862 6.304 -10.341 444 HA HIS 57 HA HIS 57 15.096 7.564 -11.768 445 1HB HIS 57 1HB HIS 57 17.315 5.715 -10.871 446 2HB HIS 57 2HB HIS 57 17.551 7.223 -11.746 447 HD1 HIS 57 HD1 HIS 57 16.423 9.389 -10.386 448 HD2 HIS 57 HD2 HIS 57 17.489 6.020 -8.193 449 HE1 HIS 57 HE1 HIS 57 16.624 10.164 -8.003 450 H LEU 58 H LEU 58 13.756 6.566 -13.457 451 HA LEU 58 HA LEU 58 15.410 5.026 -15.331 452 1HB LEU 58 1HB LEU 58 12.860 4.433 -14.258 453 2HB LEU 58 2HB LEU 58 12.630 4.823 -15.953 454 HG LEU 58 HG LEU 58 14.306 3.134 -16.561 455 1HD1 LEU 58 1HD1 LEU 58 15.105 1.549 -14.882 456 2HD1 LEU 58 2HD1 LEU 58 14.308 2.485 -13.618 457 3HD1 LEU 58 3HD1 LEU 58 15.647 3.190 -14.525 458 1HD2 LEU 58 1HD2 LEU 58 11.931 2.556 -16.485 459 2HD2 LEU 58 2HD2 LEU 58 12.105 2.083 -14.795 460 3HD2 LEU 58 3HD2 LEU 58 12.949 1.182 -16.054 461 H LYS 59 H LYS 59 15.279 5.534 -17.519 462 HA LYS 59 HA LYS 59 14.069 8.156 -18.150 463 1HB LYS 59 1HB LYS 59 16.275 7.276 -19.881 464 2HB LYS 59 2HB LYS 59 15.970 8.853 -19.173 465 1HG LYS 59 1HG LYS 59 17.125 6.557 -17.615 466 2HG LYS 59 2HG LYS 59 18.113 7.717 -18.501 467 1HD LYS 59 1HD LYS 59 16.111 8.538 -16.410 468 2HD LYS 59 2HD LYS 59 17.790 8.153 -16.026 469 1HE LYS 59 1HE LYS 59 18.469 9.901 -17.698 470 2HE LYS 59 2HE LYS 59 16.769 10.356 -17.810 471 1HZ LYS 59 1HZ LYS 59 17.945 11.764 -16.242 472 2HZ LYS 59 2HZ LYS 59 18.419 10.404 -15.339 473 3HZ LYS 59 3HZ LYS 59 16.778 10.832 -15.438 474 H PHE 60 H PHE 60 13.066 8.307 -20.208 475 HA PHE 60 HA PHE 60 12.849 5.780 -21.705 476 1HB PHE 60 1HB PHE 60 10.599 7.721 -21.109 477 2HB PHE 60 2HB PHE 60 10.476 6.323 -22.169 478 HD1 PHE 60 HD1 PHE 60 10.562 7.485 -18.726 479 HD2 PHE 60 HD2 PHE 60 10.497 4.055 -21.248 480 HE1 PHE 60 HE1 PHE 60 9.916 6.090 -16.806 481 HE2 PHE 60 HE2 PHE 60 9.849 2.656 -19.332 482 HZ PHE 60 HZ PHE 60 9.557 3.674 -17.108 483 H GLU 61 H GLU 61 13.438 6.018 -23.806 484 HA GLU 61 HA GLU 61 13.179 8.721 -24.959 485 1HB GLU 61 1HB GLU 61 15.505 7.167 -24.676 486 2HB GLU 61 2HB GLU 61 15.069 7.055 -26.375 487 1HG GLU 61 1HG GLU 61 15.409 9.629 -24.853 488 2HG GLU 61 2HG GLU 61 16.634 8.895 -25.885 489 H LEU 62 H LEU 62 12.143 8.916 -26.867 490 HA LEU 62 HA LEU 62 10.901 6.478 -27.932 491 1HB LEU 62 1HB LEU 62 9.370 8.233 -27.194 492 2HB LEU 62 2HB LEU 62 10.148 9.382 -28.265 493 HG LEU 62 HG LEU 62 9.395 8.022 -30.206 494 1HD1 LEU 62 1HD1 LEU 62 7.683 6.320 -29.869 495 2HD1 LEU 62 2HD1 LEU 62 7.849 6.490 -28.122 496 3HD1 LEU 62 3HD1 LEU 62 9.194 5.865 -29.077 497 1HD2 LEU 62 1HD2 LEU 62 8.107 9.956 -29.493 498 2HD2 LEU 62 2HD2 LEU 62 7.232 8.962 -28.329 499 3HD2 LEU 62 3HD2 LEU 62 7.033 8.674 -30.056 500 H HIS 63 H HIS 63 12.056 5.638 -29.535 501 HA HIS 63 HA HIS 63 13.277 7.486 -31.470 502 1HB HIS 63 1HB HIS 63 14.066 4.745 -30.544 503 2HB HIS 63 2HB HIS 63 14.572 5.319 -32.131 504 HD1 HIS 63 HD1 HIS 63 16.552 6.852 -32.217 505 HD2 HIS 63 HD2 HIS 63 15.078 6.373 -28.360 506 HE1 HIS 63 HE1 HIS 63 18.231 7.954 -30.712 507 H ASP 64 H ASP 64 12.982 7.199 -33.636 508 HA ASP 64 HA ASP 64 10.712 5.465 -34.343 509 1HB ASP 64 1HB ASP 64 10.043 7.121 -35.989 510 2HB ASP 64 2HB ASP 64 10.184 7.895 -34.416 511 H LYS 65 H LYS 65 10.755 4.437 -36.344 512 HA LYS 65 HA LYS 65 12.948 4.843 -38.175 513 1HB LYS 65 1HB LYS 65 13.967 2.742 -38.043 514 2HB LYS 65 2HB LYS 65 13.704 3.145 -36.356 515 1HG LYS 65 1HG LYS 65 11.622 1.762 -36.427 516 2HG LYS 65 2HG LYS 65 12.081 1.266 -38.050 517 1HD LYS 65 1HD LYS 65 14.104 0.247 -37.234 518 2HD LYS 65 2HD LYS 65 13.799 0.857 -35.606 519 1HE LYS 65 1HE LYS 65 11.873 -0.540 -35.371 520 2HE LYS 65 2HE LYS 65 11.950 -1.021 -37.066 521 1HZ LYS 65 1HZ LYS 65 13.890 -2.262 -36.682 522 2HZ LYS 65 2HZ LYS 65 12.843 -2.661 -35.406 523 3HZ LYS 65 3HZ LYS 65 14.135 -1.589 -35.143 524 H LEU 66 H LEU 66 12.352 4.251 -40.233 525 HA LEU 66 HA LEU 66 10.947 3.759 -41.934 526 1HB LEU 66 1HB LEU 66 10.438 1.550 -39.990 527 2HB LEU 66 2HB LEU 66 9.474 1.649 -41.441 528 HG LEU 66 HG LEU 66 11.266 0.109 -41.813 529 1HD1 LEU 66 1HD1 LEU 66 11.820 2.713 -43.217 530 2HD1 LEU 66 2HD1 LEU 66 10.657 1.483 -43.715 531 3HD1 LEU 66 3HD1 LEU 66 12.385 1.127 -43.739 532 1HD2 LEU 66 1HD2 LEU 66 13.143 2.334 -41.048 533 2HD2 LEU 66 2HD2 LEU 66 13.613 0.749 -41.661 534 3HD2 LEU 66 3HD2 LEU 66 12.809 0.886 -40.099 535 H ASN 67 H ASN 67 8.618 2.552 -39.628 536 HA ASN 67 HA ASN 67 7.061 5.026 -39.766 537 1HB ASN 67 1HB ASN 67 6.219 3.635 -41.598 538 2HB ASN 67 2HB ASN 67 5.995 2.284 -40.496 539 1HD2 ASN 67 2HD2 ASN 67 4.863 5.489 -41.373 540 2HD2 ASN 67 1HD2 ASN 67 3.291 5.329 -40.654 541 H GLU 68 H GLU 68 8.535 2.842 -37.914 542 HA GLU 68 HA GLU 68 6.374 2.471 -35.970 543 1HB GLU 68 1HB GLU 68 9.091 1.155 -36.165 544 2HB GLU 68 2HB GLU 68 7.923 0.845 -34.891 545 1HG GLU 68 1HG GLU 68 7.582 -0.925 -36.310 546 2HG GLU 68 2HG GLU 68 6.339 0.208 -36.832 547 H TYR 69 H TYR 69 6.557 3.121 -33.864 548 HA TYR 69 HA TYR 69 8.901 4.743 -33.120 549 1HB TYR 69 1HB TYR 69 6.161 5.300 -32.013 550 2HB TYR 69 2HB TYR 69 7.555 6.369 -32.094 551 HD1 TYR 69 HD1 TYR 69 8.187 7.377 -34.315 552 HD2 TYR 69 HD2 TYR 69 4.540 5.265 -33.727 553 HE1 TYR 69 HE1 TYR 69 7.260 8.419 -36.342 554 HE2 TYR 69 HE2 TYR 69 3.605 6.299 -35.750 555 HH TYR 69 HH TYR 69 5.500 7.972 -38.007 556 H TYR 70 H TYR 70 9.941 3.686 -31.477 557 HA TYR 70 HA TYR 70 8.227 2.252 -29.567 558 1HB TYR 70 1HB TYR 70 9.870 0.451 -29.391 559 2HB TYR 70 2HB TYR 70 9.279 0.609 -31.038 560 HD1 TYR 70 HD1 TYR 70 12.166 0.744 -28.865 561 HD2 TYR 70 HD2 TYR 70 10.752 1.582 -32.790 562 HE1 TYR 70 HE1 TYR 70 14.484 0.835 -29.675 563 HE2 TYR 70 HE2 TYR 70 13.065 1.687 -33.607 564 HH TYR 70 HH TYR 70 15.655 0.476 -31.908 565 H VAL 71 H VAL 71 9.104 1.963 -27.443 566 HA VAL 71 HA VAL 71 10.646 4.350 -26.713 567 HB VAL 71 HB VAL 71 8.866 2.654 -24.951 568 1HG1 VAL 71 1HG1 VAL 71 10.590 3.876 -23.728 569 2HG1 VAL 71 2HG1 VAL 71 8.988 4.538 -23.401 570 3HG1 VAL 71 3HG1 VAL 71 10.082 5.377 -24.501 571 1HG2 VAL 71 1HG2 VAL 71 7.564 3.727 -26.713 572 2HG2 VAL 71 2HG2 VAL 71 8.276 5.286 -26.304 573 3HG2 VAL 71 3HG2 VAL 71 7.228 4.465 -25.146 574 H LYS 72 H LYS 72 12.589 4.165 -25.875 575 HA LYS 72 HA LYS 72 13.621 1.521 -25.171 576 1HB LYS 72 1HB LYS 72 15.115 4.131 -25.251 577 2HB LYS 72 2HB LYS 72 15.791 2.508 -25.250 578 1HG LYS 72 1HG LYS 72 14.700 2.146 -27.470 579 2HG LYS 72 2HG LYS 72 14.276 3.862 -27.466 580 1HD LYS 72 1HD LYS 72 16.272 3.793 -28.650 581 2HD LYS 72 2HD LYS 72 16.768 4.263 -27.029 582 1HE LYS 72 1HE LYS 72 18.302 2.611 -27.488 583 2HE LYS 72 2HE LYS 72 17.051 1.698 -26.667 584 1HZ LYS 72 1HZ LYS 72 17.869 0.595 -28.676 585 2HZ LYS 72 2HZ LYS 72 17.338 1.893 -29.618 586 3HZ LYS 72 3HZ LYS 72 16.218 0.938 -28.775 587 H VAL 73 H VAL 73 13.347 0.924 -23.103 588 HA VAL 73 HA VAL 73 13.082 2.909 -21.008 589 HB VAL 73 HB VAL 73 13.147 -0.107 -20.811 590 1HG1 VAL 73 1HG1 VAL 73 12.134 0.195 -18.622 591 2HG1 VAL 73 2HG1 VAL 73 12.199 1.947 -18.821 592 3HG1 VAL 73 3HG1 VAL 73 13.692 1.015 -18.710 593 1HG2 VAL 73 1HG2 VAL 73 11.291 0.620 -22.194 594 2HG2 VAL 73 2HG2 VAL 73 10.788 1.768 -20.953 595 3HG2 VAL 73 3HG2 VAL 73 10.702 0.033 -20.639 596 H ILE 74 H ILE 74 14.798 3.764 -20.091 597 HA ILE 74 HA ILE 74 17.317 2.221 -20.053 598 HB ILE 74 HB ILE 74 16.960 5.222 -20.283 599 1HG1 ILE 74 1HG1 ILE 74 17.967 3.226 -22.321 600 2HG1 ILE 74 2HG1 ILE 74 16.371 3.967 -22.338 601 1HG2 ILE 74 1HG2 ILE 74 18.969 4.641 -19.027 602 2HG2 ILE 74 2HG2 ILE 74 19.385 5.299 -20.611 603 3HG2 ILE 74 3HG2 ILE 74 19.478 3.561 -20.327 604 1HD1 ILE 74 1HD1 ILE 74 18.995 5.414 -22.621 605 2HD1 ILE 74 2HD1 ILE 74 17.398 6.163 -22.627 606 3HD1 ILE 74 3HD1 ILE 74 17.856 5.050 -23.917 607 H GLU 75 H GLU 75 18.325 2.009 -18.113 608 HA GLU 75 HA GLU 75 17.053 3.202 -15.787 609 1HB GLU 75 1HB GLU 75 17.742 0.844 -15.694 610 2HB GLU 75 2HB GLU 75 19.409 1.312 -15.994 611 1HG GLU 75 1HG GLU 75 19.406 2.575 -13.882 612 2HG GLU 75 2HG GLU 75 17.760 2.020 -13.576 613 H ASP 76 H ASP 76 17.863 4.910 -14.662 614 HA ASP 76 HA ASP 76 19.731 6.614 -15.914 615 1HB ASP 76 1HB ASP 76 17.937 7.384 -14.381 616 2HB ASP 76 2HB ASP 76 18.811 6.668 -13.032 617 H SER 77 H SER 77 20.050 4.268 -13.326 618 HA SER 77 HA SER 77 22.602 5.029 -12.421 619 1HB SER 77 1HB SER 77 21.391 2.263 -12.306 620 2HB SER 77 2HB SER 77 22.614 2.938 -11.230 621 HG SER 77 HG SER 77 20.285 2.915 -10.539 622 H THR 78 H THR 78 21.783 2.113 -14.344 623 HA THR 78 HA THR 78 24.509 1.662 -15.046 624 HB THR 78 HB THR 78 23.409 0.002 -16.705 625 HG1 THR 78 HG1 THR 78 21.141 0.200 -15.053 626 1HG2 THR 78 1HG2 THR 78 22.953 -0.272 -13.730 627 2HG2 THR 78 2HG2 THR 78 24.440 -0.673 -14.591 628 3HG2 THR 78 3HG2 THR 78 22.968 -1.596 -14.893 629 H ASN 79 H ASN 79 21.972 3.526 -16.388 630 HA ASN 79 HA ASN 79 21.787 4.889 -18.185 631 1HB ASN 79 1HB ASN 79 24.167 5.483 -17.266 632 2HB ASN 79 2HB ASN 79 24.731 4.659 -18.716 633 1HD2 ASN 79 2HD2 ASN 79 23.105 7.433 -17.443 634 2HD2 ASN 79 1HD2 ASN 79 23.097 8.357 -18.908 635 H GLU 80 H GLU 80 21.498 2.069 -18.536 636 HA GLU 80 HA GLU 80 22.044 1.945 -21.422 637 1HB GLU 80 1HB GLU 80 22.458 -0.431 -21.301 638 2HB GLU 80 2HB GLU 80 23.559 0.395 -20.208 639 1HG GLU 80 1HG GLU 80 22.333 -0.304 -18.304 640 2HG GLU 80 2HG GLU 80 20.987 -0.868 -19.298 641 H VAL 81 H VAL 81 20.554 0.560 -22.602 642 HA VAL 81 HA VAL 81 17.846 0.939 -21.734 643 HB VAL 81 HB VAL 81 18.866 -0.659 -24.096 644 1HG1 VAL 81 1HG1 VAL 81 16.638 -0.313 -25.022 645 2HG1 VAL 81 2HG1 VAL 81 16.151 0.534 -23.556 646 3HG1 VAL 81 3HG1 VAL 81 16.557 -1.181 -23.488 647 1HG2 VAL 81 1HG2 VAL 81 18.019 2.231 -23.944 648 2HG2 VAL 81 2HG2 VAL 81 18.420 1.354 -25.419 649 3HG2 VAL 81 3HG2 VAL 81 19.662 1.639 -24.199 650 H ILE 82 H ILE 82 17.238 -0.277 -20.035 651 HA ILE 82 HA ILE 82 18.136 -3.027 -19.769 652 HB ILE 82 HB ILE 82 16.846 -2.998 -17.638 653 1HG1 ILE 82 1HG1 ILE 82 16.423 -0.063 -18.251 654 2HG1 ILE 82 2HG1 ILE 82 15.175 -1.294 -18.409 655 1HG2 ILE 82 1HG2 ILE 82 18.364 -1.472 -16.468 656 2HG2 ILE 82 2HG2 ILE 82 18.814 -0.741 -18.010 657 3HG2 ILE 82 3HG2 ILE 82 19.210 -2.429 -17.684 658 1HD1 ILE 82 1HD1 ILE 82 14.951 -0.072 -16.321 659 2HD1 ILE 82 2HD1 ILE 82 16.587 -0.543 -15.858 660 3HD1 ILE 82 3HD1 ILE 82 15.330 -1.768 -16.023 661 H ARG 83 H ARG 83 15.575 -1.432 -21.233 662 HA ARG 83 HA ARG 83 14.210 -3.919 -21.764 663 1HB ARG 83 1HB ARG 83 13.339 -2.768 -19.533 664 2HB ARG 83 2HB ARG 83 12.462 -1.753 -20.669 665 1HG ARG 83 1HG ARG 83 10.979 -3.460 -20.078 666 2HG ARG 83 2HG ARG 83 11.574 -3.898 -21.680 667 1HD ARG 83 1HD ARG 83 13.132 -5.472 -20.711 668 2HD ARG 83 2HD ARG 83 12.668 -4.977 -19.086 669 HE ARG 83 HE ARG 83 10.564 -6.035 -20.803 670 1HH1 ARG 83 1HH1 ARG 83 12.883 -6.642 -18.245 671 2HH1 ARG 83 2HH1 ARG 83 12.011 -8.004 -17.596 672 1HH2 ARG 83 1HH2 ARG 83 9.408 -7.819 -19.939 673 2HH2 ARG 83 2HH2 ARG 83 10.021 -8.674 -18.555 674 H GLU 84 H GLU 84 13.421 -3.825 -23.840 675 HA GLU 84 HA GLU 84 12.977 -1.147 -24.961 676 1HB GLU 84 1HB GLU 84 15.048 -2.303 -25.811 677 2HB GLU 84 2HB GLU 84 13.996 -3.534 -26.501 678 1HG GLU 84 1HG GLU 84 12.990 -1.973 -27.966 679 2HG GLU 84 2HG GLU 84 13.755 -0.619 -27.143 680 H ILE 85 H ILE 85 10.931 -0.830 -25.489 681 HA ILE 85 HA ILE 85 9.240 -3.208 -25.889 682 HB ILE 85 HB ILE 85 8.435 -0.569 -24.655 683 1HG1 ILE 85 1HG1 ILE 85 8.882 -3.263 -23.350 684 2HG1 ILE 85 2HG1 ILE 85 9.998 -1.906 -23.257 685 1HG2 ILE 85 1HG2 ILE 85 6.365 -1.741 -24.064 686 2HG2 ILE 85 2HG2 ILE 85 6.932 -3.172 -24.927 687 3HG2 ILE 85 3HG2 ILE 85 6.602 -1.681 -25.811 688 1HD1 ILE 85 1HD1 ILE 85 8.313 -0.595 -22.093 689 2HD1 ILE 85 2HD1 ILE 85 8.660 -2.102 -21.245 690 3HD1 ILE 85 3HD1 ILE 85 7.186 -1.947 -22.200 691 HA PRO 86 HA PRO 86 8.406 -1.284 -29.862 692 1HB PRO 86 1HB PRO 86 6.816 -3.259 -30.797 693 2HB PRO 86 2HB PRO 86 8.576 -3.401 -30.761 694 1HG PRO 86 1HG PRO 86 6.548 -4.502 -28.849 695 2HG PRO 86 2HG PRO 86 7.990 -5.283 -29.525 696 1HD PRO 86 1HD PRO 86 7.933 -4.212 -27.033 697 2HD PRO 86 2HD PRO 86 9.404 -4.258 -28.028 698 HA PRO 87 HA PRO 87 4.731 0.964 -29.192 699 1HB PRO 87 1HB PRO 87 3.510 0.807 -31.693 700 2HB PRO 87 2HB PRO 87 4.748 1.975 -31.221 701 1HG PRO 87 1HG PRO 87 5.029 -0.587 -32.729 702 2HG PRO 87 2HG PRO 87 5.869 0.957 -32.971 703 1HD PRO 87 1HD PRO 87 7.080 -1.104 -31.777 704 2HD PRO 87 2HD PRO 87 7.353 0.562 -31.222 705 H LYS 88 H LYS 88 4.285 -2.158 -30.757 706 HA LYS 88 HA LYS 88 1.462 -2.226 -30.309 707 1HB LYS 88 1HB LYS 88 1.592 -4.536 -31.134 708 2HB LYS 88 2HB LYS 88 2.414 -3.406 -32.200 709 1HG LYS 88 1HG LYS 88 4.568 -4.089 -31.167 710 2HG LYS 88 2HG LYS 88 3.684 -5.310 -30.246 711 1HD LYS 88 1HD LYS 88 3.837 -5.116 -33.256 712 2HD LYS 88 2HD LYS 88 4.679 -6.289 -32.243 713 1HE LYS 88 1HE LYS 88 2.549 -7.219 -31.517 714 2HE LYS 88 2HE LYS 88 1.681 -6.014 -32.465 715 1HZ LYS 88 1HZ LYS 88 1.789 -8.130 -33.617 716 2HZ LYS 88 2HZ LYS 88 3.485 -8.110 -33.558 717 3HZ LYS 88 3HZ LYS 88 2.653 -6.950 -34.475 718 H ARG 89 H ARG 89 4.121 -2.778 -28.283 719 HA ARG 89 HA ARG 89 2.367 -4.229 -26.407 720 1HB ARG 89 1HB ARG 89 5.326 -4.431 -26.837 721 2HB ARG 89 2HB ARG 89 4.625 -4.839 -25.277 722 1HG ARG 89 1HG ARG 89 3.124 -6.446 -26.494 723 2HG ARG 89 2HG ARG 89 4.108 -6.149 -27.930 724 1HD ARG 89 1HD ARG 89 6.092 -6.907 -26.740 725 2HD ARG 89 2HD ARG 89 5.141 -7.154 -25.280 726 HE ARG 89 HE ARG 89 3.877 -8.728 -27.054 727 1HH1 ARG 89 1HH1 ARG 89 7.257 -8.367 -26.237 728 2HH1 ARG 89 2HH1 ARG 89 7.638 -10.039 -26.515 729 1HH2 ARG 89 1HH2 ARG 89 4.364 -10.932 -27.433 730 2HH2 ARG 89 2HH2 ARG 89 6.006 -11.492 -27.242 731 H TRP 90 H TRP 90 3.451 -1.266 -27.057 732 HA TRP 90 HA TRP 90 4.486 -0.356 -24.594 733 1HB TRP 90 1HB TRP 90 4.785 0.938 -26.621 734 2HB TRP 90 2HB TRP 90 3.044 1.111 -26.812 735 HD1 TRP 90 HD1 TRP 90 2.222 3.411 -26.137 736 HE1 TRP 90 HE1 TRP 90 2.930 5.209 -24.445 737 HE3 TRP 90 HE3 TRP 90 6.198 1.006 -24.008 738 HZ2 TRP 90 HZ2 TRP 90 4.908 5.562 -22.454 739 HZ3 TRP 90 HZ3 TRP 90 7.443 2.139 -22.216 740 HH2 TRP 90 HH2 TRP 90 6.811 4.371 -21.456 741 H LEU 91 H LEU 91 1.224 -0.586 -25.906 742 HA LEU 91 HA LEU 91 -0.025 0.647 -23.655 743 1HB LEU 91 1HB LEU 91 -1.151 -1.059 -25.876 744 2HB LEU 91 2HB LEU 91 -2.134 -0.319 -24.628 745 HG LEU 91 HG LEU 91 -1.157 1.915 -25.413 746 1HD1 LEU 91 1HD1 LEU 91 0.683 1.024 -26.737 747 2HD1 LEU 91 2HD1 LEU 91 -0.400 2.005 -27.722 748 3HD1 LEU 91 3HD1 LEU 91 -0.468 0.246 -27.824 749 1HD2 LEU 91 1HD2 LEU 91 -2.952 0.364 -27.265 750 2HD2 LEU 91 2HD2 LEU 91 -2.811 2.121 -27.182 751 3HD2 LEU 91 3HD2 LEU 91 -3.457 1.221 -25.810 752 H ASP 92 H ASP 92 0.991 -2.553 -24.466 753 HA ASP 92 HA ASP 92 -0.424 -4.016 -22.505 754 1HB ASP 92 1HB ASP 92 0.795 -5.038 -24.411 755 2HB ASP 92 2HB ASP 92 2.320 -4.539 -23.694 756 H PHE 93 H PHE 93 2.839 -2.650 -22.548 757 HA PHE 93 HA PHE 93 3.519 -3.079 -19.871 758 1HB PHE 93 1HB PHE 93 5.180 -2.460 -21.505 759 2HB PHE 93 2HB PHE 93 4.363 -0.939 -21.832 760 HD1 PHE 93 HD1 PHE 93 6.017 -2.788 -19.040 761 HD2 PHE 93 HD2 PHE 93 5.101 0.975 -20.805 762 HE1 PHE 93 HE1 PHE 93 7.446 -1.666 -17.379 763 HE2 PHE 93 HE2 PHE 93 6.524 2.104 -19.146 764 HZ PHE 93 HZ PHE 93 7.697 0.784 -17.430 765 H TYR 94 H TYR 94 1.848 -0.387 -21.439 766 HA TYR 94 HA TYR 94 1.710 1.356 -19.256 767 1HB TYR 94 1HB TYR 94 1.157 2.039 -21.552 768 2HB TYR 94 2HB TYR 94 -0.271 1.011 -21.519 769 HD1 TYR 94 HD1 TYR 94 1.264 3.804 -19.576 770 HD2 TYR 94 HD2 TYR 94 -2.303 2.004 -21.032 771 HE1 TYR 94 HE1 TYR 94 -0.042 5.678 -18.676 772 HE2 TYR 94 HE2 TYR 94 -3.624 3.876 -20.134 773 HH TYR 94 HH TYR 94 -2.133 6.763 -18.957 774 H ALA 95 H ALA 95 -0.338 -1.362 -20.166 775 HA ALA 95 HA ALA 95 -2.402 -0.947 -18.299 776 1HB ALA 95 1HB ALA 95 -1.386 -3.574 -19.384 777 2HB ALA 95 2HB ALA 95 -2.576 -2.533 -20.165 778 3HB ALA 95 3HB ALA 95 -2.949 -3.298 -18.620 779 H ALA 96 H ALA 96 0.505 -2.996 -18.094 780 HA ALA 96 HA ALA 96 0.142 -3.872 -15.463 781 1HB ALA 96 1HB ALA 96 2.771 -3.422 -16.872 782 2HB ALA 96 2HB ALA 96 1.750 -4.847 -17.067 783 3HB ALA 96 3HB ALA 96 2.479 -4.489 -15.501 784 H MET 97 H MET 97 1.715 -0.982 -16.726 785 HA MET 97 HA MET 97 2.838 -0.067 -14.318 786 1HB MET 97 1HB MET 97 1.989 1.350 -16.835 787 2HB MET 97 2HB MET 97 2.726 2.203 -15.487 788 1HG MET 97 1HG MET 97 4.007 -0.133 -16.871 789 2HG MET 97 2HG MET 97 4.279 1.547 -17.330 790 1HE MET 97 1HE MET 97 6.119 3.044 -14.287 791 2HE MET 97 2HE MET 97 4.409 3.149 -14.700 792 3HE MET 97 3HE MET 97 5.631 3.266 -15.968 793 H THR 98 H THR 98 -0.295 0.703 -15.848 794 HA THR 98 HA THR 98 -0.988 2.581 -13.818 795 HB THR 98 HB THR 98 -3.322 2.364 -14.825 796 HG1 THR 98 HG1 THR 98 -1.984 0.981 -16.912 797 1HG2 THR 98 1HG2 THR 98 -1.752 4.130 -15.452 798 2HG2 THR 98 2HG2 THR 98 -2.693 3.591 -16.843 799 3HG2 THR 98 3HG2 THR 98 -1.023 3.059 -16.650 800 H GLU 99 H GLU 99 -1.576 -0.861 -14.241 801 HA GLU 99 HA GLU 99 -3.454 -1.090 -12.133 802 1HB GLU 99 1HB GLU 99 -1.511 -3.129 -13.229 803 2HB GLU 99 2HB GLU 99 -2.807 -3.493 -12.101 804 1HG GLU 99 1HG GLU 99 -4.401 -2.590 -13.835 805 2HG GLU 99 2HG GLU 99 -3.035 -2.575 -14.948 806 H PHE 100 H PHE 100 0.049 -1.041 -12.259 807 HA PHE 100 HA PHE 100 0.319 -1.792 -9.482 808 1HB PHE 100 1HB PHE 100 1.999 -2.474 -11.160 809 2HB PHE 100 2HB PHE 100 2.414 -0.782 -11.415 810 HD1 PHE 100 HD1 PHE 100 4.244 0.045 -10.302 811 HD2 PHE 100 HD2 PHE 100 2.103 -3.222 -8.611 812 HE1 PHE 100 HE1 PHE 100 5.888 -0.082 -8.477 813 HE2 PHE 100 HE2 PHE 100 3.748 -3.361 -6.789 814 HZ PHE 100 HZ PHE 100 5.643 -1.790 -6.718 815 H LEU 101 H LEU 101 1.154 1.177 -11.353 816 HA LEU 101 HA LEU 101 1.696 2.576 -8.894 817 1HB LEU 101 1HB LEU 101 1.708 3.458 -11.768 818 2HB LEU 101 2HB LEU 101 1.893 4.601 -10.453 819 HG LEU 101 HG LEU 101 3.800 2.862 -9.749 820 1HD1 LEU 101 1HD1 LEU 101 4.992 2.075 -11.705 821 2HD1 LEU 101 2HD1 LEU 101 3.719 2.699 -12.752 822 3HD1 LEU 101 3HD1 LEU 101 3.375 1.372 -11.640 823 1HD2 LEU 101 1HD2 LEU 101 5.393 4.353 -10.826 824 2HD2 LEU 101 2HD2 LEU 101 4.074 5.257 -10.081 825 3HD2 LEU 101 3HD2 LEU 101 4.103 5.018 -11.827 826 H GLY 102 H GLY 102 -1.095 1.969 -10.703 827 1HA GLY 102 1HA GLY 102 -2.617 4.254 -9.959 828 2HA GLY 102 2HA GLY 102 -3.265 2.684 -10.426 829 H LEU 103 H LEU 103 -1.318 1.710 -8.198 830 HA LEU 103 HA LEU 103 -3.275 1.903 -6.030 831 1HB LEU 103 1HB LEU 103 -0.802 0.191 -6.293 832 2HB LEU 103 2HB LEU 103 -1.957 0.106 -4.978 833 HG LEU 103 HG LEU 103 -2.539 -0.548 -7.867 834 1HD1 LEU 103 1HD1 LEU 103 -2.188 -2.321 -5.454 835 2HD1 LEU 103 2HD1 LEU 103 -1.104 -2.211 -6.841 836 3HD1 LEU 103 3HD1 LEU 103 -2.733 -2.857 -7.043 837 1HD2 LEU 103 1HD2 LEU 103 -4.498 0.345 -6.746 838 2HD2 LEU 103 2HD2 LEU 103 -4.262 -0.772 -5.403 839 3HD2 LEU 103 3HD2 LEU 103 -4.680 -1.391 -7.001 840 H PHE 104 H PHE 104 -0.438 3.342 -7.052 841 HA PHE 104 HA PHE 104 0.358 4.160 -4.354 842 1HB PHE 104 1HB PHE 104 1.673 4.573 -7.049 843 2HB PHE 104 2HB PHE 104 2.287 5.243 -5.543 844 HD1 PHE 104 HD1 PHE 104 1.450 2.031 -7.205 845 HD2 PHE 104 HD2 PHE 104 3.730 4.008 -4.213 846 HE1 PHE 104 HE1 PHE 104 2.721 -0.037 -6.810 847 HE2 PHE 104 HE2 PHE 104 5.004 1.947 -3.809 848 HZ PHE 104 HZ PHE 104 4.501 -0.082 -5.107 849 H VAL 105 H VAL 105 -0.788 5.364 -7.436 850 HA VAL 105 HA VAL 105 -0.985 8.097 -6.541 851 HB VAL 105 HB VAL 105 -0.628 7.126 -8.958 852 1HG1 VAL 105 1HG1 VAL 105 -2.665 5.840 -9.094 853 2HG1 VAL 105 2HG1 VAL 105 -2.662 7.116 -10.310 854 3HG1 VAL 105 3HG1 VAL 105 -3.625 7.300 -8.843 855 1HG2 VAL 105 1HG2 VAL 105 -0.558 9.467 -8.443 856 2HG2 VAL 105 2HG2 VAL 105 -2.318 9.533 -8.394 857 3HG2 VAL 105 3HG2 VAL 105 -1.491 9.206 -9.916 858 H ASP 106 H ASP 106 -3.040 9.243 -6.468 859 HA ASP 106 HA ASP 106 -5.428 7.612 -6.608 860 1HB ASP 106 1HB ASP 106 -4.625 7.637 -4.192 861 2HB ASP 106 2HB ASP 106 -4.979 9.360 -4.183 862 H GLU 107 H GLU 107 -3.939 9.933 -7.830 863 HA GLU 107 HA GLU 107 -5.583 12.235 -7.461 864 1HB GLU 107 1HB GLU 107 -3.107 12.148 -8.058 865 2HB GLU 107 2HB GLU 107 -3.622 11.727 -9.682 866 1HG GLU 107 1HG GLU 107 -3.226 14.046 -9.697 867 2HG GLU 107 2HG GLU 107 -4.976 13.854 -9.673 868 H LYS 108 H LYS 108 -5.006 10.023 -10.219 869 HA LYS 108 HA LYS 108 -6.885 11.191 -11.944 870 1HB LYS 108 1HB LYS 108 -5.973 8.307 -11.880 871 2HB LYS 108 2HB LYS 108 -6.818 9.078 -13.212 872 1HG LYS 108 1HG LYS 108 -4.870 10.675 -13.365 873 2HG LYS 108 2HG LYS 108 -4.026 9.606 -12.237 874 1HD LYS 108 1HD LYS 108 -4.420 7.720 -13.802 875 2HD LYS 108 2HD LYS 108 -5.138 8.856 -14.943 876 1HE LYS 108 1HE LYS 108 -2.966 10.107 -14.927 877 2HE LYS 108 2HE LYS 108 -2.286 8.793 -13.969 878 1HZ LYS 108 1HZ LYS 108 -1.717 8.224 -16.129 879 2HZ LYS 108 2HZ LYS 108 -3.188 8.758 -16.779 880 3HZ LYS 108 3HZ LYS 108 -3.132 7.319 -15.886 881 H LYS 109 H LYS 109 -7.346 9.178 -9.223 882 HA LYS 109 HA LYS 109 -10.017 8.407 -10.129 883 1HB LYS 109 1HB LYS 109 -8.117 7.224 -8.137 884 2HB LYS 109 2HB LYS 109 -9.834 6.869 -8.040 885 1HG LYS 109 1HG LYS 109 -9.029 5.116 -9.293 886 2HG LYS 109 2HG LYS 109 -9.611 6.231 -10.529 887 1HD LYS 109 1HD LYS 109 -7.144 7.111 -10.453 888 2HD LYS 109 2HD LYS 109 -6.816 5.515 -9.772 889 1HE LYS 109 1HE LYS 109 -7.859 6.248 -12.479 890 2HE LYS 109 2HE LYS 109 -6.511 5.199 -12.055 891 1HZ LYS 109 1HZ LYS 109 -8.273 3.832 -12.816 892 2HZ LYS 109 2HZ LYS 109 -9.409 4.602 -11.824 893 3HZ LYS 109 3HZ LYS 109 -8.209 3.621 -11.132 894 H LEU 110 H LEU 110 -8.950 11.014 -8.691 895 HA LEU 110 HA LEU 110 -10.467 10.947 -6.261 896 1HB LEU 110 1HB LEU 110 -9.461 12.878 -5.714 897 2HB LEU 110 2HB LEU 110 -8.384 12.453 -7.020 898 HG LEU 110 HG LEU 110 -10.747 14.284 -7.434 899 1HD1 LEU 110 1HD1 LEU 110 -9.303 15.193 -5.662 900 2HD1 LEU 110 2HD1 LEU 110 -9.223 16.155 -7.139 901 3HD1 LEU 110 3HD1 LEU 110 -7.911 15.045 -6.738 902 1HD2 LEU 110 1HD2 LEU 110 -9.703 13.326 -9.450 903 2HD2 LEU 110 2HD2 LEU 110 -8.149 13.970 -8.933 904 3HD2 LEU 110 3HD2 LEU 110 -9.467 15.066 -9.341 905 H GLU 111 H GLU 111 -10.922 12.141 -9.479 906 HA GLU 111 HA GLU 111 -12.581 13.356 -10.497 907 1HB GLU 111 1HB GLU 111 -14.591 11.959 -10.774 908 2HB GLU 111 2HB GLU 111 -13.096 11.065 -10.975 909 1HG GLU 111 1HG GLU 111 -13.342 10.107 -8.762 910 2HG GLU 111 2HG GLU 111 -14.805 11.057 -8.499 911 H HIS 112 H HIS 112 -12.288 14.517 -7.931 912 HA HIS 112 HA HIS 112 -15.065 15.297 -7.439 913 1HB HIS 112 1HB HIS 112 -13.131 14.187 -5.500 914 2HB HIS 112 2HB HIS 112 -14.061 15.574 -4.951 915 HD1 HIS 112 HD1 HIS 112 -16.326 15.119 -4.088 916 HD2 HIS 112 HD2 HIS 112 -14.864 12.003 -6.411 917 HE1 HIS 112 HE1 HIS 112 -18.021 13.271 -3.889 918 H HIS 113 H HIS 113 -15.430 17.400 -6.912 919 HA HIS 113 HA HIS 113 -15.131 19.640 -6.817 920 1HB HIS 113 1HB HIS 113 -13.528 18.930 -4.943 921 2HB HIS 113 2HB HIS 113 -12.232 19.170 -6.107 922 HD1 HIS 113 HD1 HIS 113 -14.931 21.100 -4.295 923 HD2 HIS 113 HD2 HIS 113 -11.433 21.774 -6.437 924 HE1 HIS 113 HE1 HIS 113 -14.420 23.542 -3.996 925 H HIS 114 H HIS 114 -14.400 17.905 -9.151 926 HA HIS 114 HA HIS 114 -13.300 19.994 -10.837 927 1HB HIS 114 1HB HIS 114 -11.428 18.437 -9.896 928 2HB HIS 114 2HB HIS 114 -12.093 17.239 -10.998 929 HD1 HIS 114 HD1 HIS 114 -9.207 18.562 -11.128 930 HD2 HIS 114 HD2 HIS 114 -12.484 19.559 -13.495 931 HE1 HIS 114 HE1 HIS 114 -8.255 19.597 -13.215 932 H HIS 115 H HIS 115 -14.602 20.070 -12.577 933 HA HIS 115 HA HIS 115 -16.584 18.038 -12.976 934 1HB HIS 115 1HB HIS 115 -16.713 20.619 -13.420 935 2HB HIS 115 2HB HIS 115 -16.001 20.208 -14.974 936 HD1 HIS 115 HD1 HIS 115 -17.544 19.259 -16.742 937 HD2 HIS 115 HD2 HIS 115 -19.329 19.529 -12.994 938 HE1 HIS 115 HE1 HIS 115 -19.994 18.824 -17.121 939 H HIS 116 H HIS 116 -15.640 16.145 -13.553 940 HA HIS 116 HA HIS 116 -13.443 16.026 -15.375 941 1HB HIS 116 1HB HIS 116 -13.699 13.537 -15.139 942 2HB HIS 116 2HB HIS 116 -13.453 14.405 -13.632 943 HD1 HIS 116 HD1 HIS 116 -15.934 12.301 -15.469 944 HD2 HIS 116 HD2 HIS 116 -15.645 14.363 -11.864 945 HE1 HIS 116 HE1 HIS 116 -17.851 11.488 -14.055 946 H HIS 117 H HIS 117 -16.874 15.781 -15.734 947 HA HIS 117 HA HIS 117 -16.466 15.500 -18.600 948 1HB HIS 117 1HB HIS 117 -16.891 13.202 -17.768 949 2HB HIS 117 2HB HIS 117 -18.411 13.752 -17.073 950 HD1 HIS 117 HD1 HIS 117 -20.350 13.200 -18.473 951 HD2 HIS 117 HD2 HIS 117 -16.928 13.823 -20.758 952 HE1 HIS 117 HE1 HIS 117 -21.040 12.799 -20.865 Start of MODEL 7 1 HA LEU 1 HA LEU 1 4.191 1.147 0.909 2 1HB LEU 1 1HB LEU 1 2.667 2.906 -1.020 3 2HB LEU 1 2HB LEU 1 3.849 1.715 -1.511 4 HG LEU 1 HG LEU 1 1.736 0.745 -1.876 5 1HD1 LEU 1 1HD1 LEU 1 2.799 -0.334 0.724 6 2HD1 LEU 1 2HD1 LEU 1 3.347 -0.774 -0.893 7 3HD1 LEU 1 3HD1 LEU 1 1.710 -1.177 -0.376 8 1HD2 LEU 1 1HD2 LEU 1 0.983 1.493 0.947 9 2HD2 LEU 1 2HD2 LEU 1 -0.015 0.584 -0.188 10 3HD2 LEU 1 3HD2 LEU 1 0.392 2.268 -0.524 11 H ASN 2 H ASN 2 3.788 4.617 0.291 12 HA ASN 2 HA ASN 2 5.244 6.333 0.081 13 1HB ASN 2 1HB ASN 2 6.203 5.399 2.204 14 2HB ASN 2 2HB ASN 2 7.365 4.511 1.225 15 1HD2 ASN 2 2HD2 ASN 2 6.371 7.607 2.390 16 2HD2 ASN 2 1HD2 ASN 2 7.792 8.478 1.920 17 H ILE 3 H ILE 3 5.305 6.564 -2.057 18 HA ILE 3 HA ILE 3 6.523 4.717 -3.822 19 HB ILE 3 HB ILE 3 4.636 6.148 -4.470 20 1HG1 ILE 3 1HG1 ILE 3 7.092 6.650 -6.162 21 2HG1 ILE 3 2HG1 ILE 3 6.119 5.184 -6.202 22 1HG2 ILE 3 1HG2 ILE 3 4.991 8.512 -5.012 23 2HG2 ILE 3 2HG2 ILE 3 6.633 8.405 -4.374 24 3HG2 ILE 3 3HG2 ILE 3 5.254 8.180 -3.300 25 1HD1 ILE 3 1HD1 ILE 3 5.186 7.949 -6.945 26 2HD1 ILE 3 2HD1 ILE 3 4.204 6.485 -6.979 27 3HD1 ILE 3 3HD1 ILE 3 5.586 6.646 -8.063 28 H GLU 4 H GLU 4 7.797 7.353 -2.019 29 HA GLU 4 HA GLU 4 9.932 8.107 -3.715 30 1HB GLU 4 1HB GLU 4 9.767 8.274 -0.700 31 2HB GLU 4 2HB GLU 4 10.912 9.136 -1.717 32 1HG GLU 4 1HG GLU 4 9.023 10.298 -2.793 33 2HG GLU 4 2HG GLU 4 7.930 9.493 -1.667 34 H ARG 5 H ARG 5 9.405 5.274 -1.936 35 HA ARG 5 HA ARG 5 12.286 4.681 -1.886 36 1HB ARG 5 1HB ARG 5 10.048 3.631 -0.155 37 2HB ARG 5 2HB ARG 5 11.662 2.929 -0.180 38 1HG ARG 5 1HG ARG 5 12.590 5.102 0.517 39 2HG ARG 5 2HG ARG 5 10.950 5.746 0.610 40 1HD ARG 5 1HD ARG 5 10.375 4.246 2.360 41 2HD ARG 5 2HD ARG 5 11.867 3.332 2.148 42 HE ARG 5 HE ARG 5 12.587 5.953 2.756 43 1HH1 ARG 5 1HH1 ARG 5 10.837 3.327 4.261 44 2HH1 ARG 5 2HH1 ARG 5 11.371 3.709 5.871 45 1HH2 ARG 5 1HH2 ARG 5 13.269 6.501 4.865 46 2HH2 ARG 5 2HH2 ARG 5 12.769 5.524 6.216 47 H LEU 6 H LEU 6 9.722 4.271 -3.732 48 HA LEU 6 HA LEU 6 9.853 1.481 -4.322 49 1HB LEU 6 1HB LEU 6 7.857 2.770 -4.827 50 2HB LEU 6 2HB LEU 6 8.773 3.825 -5.888 51 HG LEU 6 HG LEU 6 9.181 1.934 -7.396 52 1HD1 LEU 6 1HD1 LEU 6 9.058 0.128 -5.755 53 2HD1 LEU 6 2HD1 LEU 6 7.956 -0.153 -7.103 54 3HD1 LEU 6 3HD1 LEU 6 7.330 0.425 -5.559 55 1HD2 LEU 6 1HD2 LEU 6 6.900 1.755 -8.263 56 2HD2 LEU 6 2HD2 LEU 6 7.294 3.410 -7.796 57 3HD2 LEU 6 3HD2 LEU 6 6.280 2.415 -6.749 58 H THR 7 H THR 7 11.833 0.763 -4.855 59 HA THR 7 HA THR 7 13.311 2.219 -6.947 60 HB THR 7 HB THR 7 14.422 2.499 -4.814 61 HG1 THR 7 HG1 THR 7 15.684 0.772 -6.675 62 1HG2 THR 7 1HG2 THR 7 13.565 0.546 -3.638 63 2HG2 THR 7 2HG2 THR 7 15.328 0.582 -3.568 64 3HG2 THR 7 3HG2 THR 7 14.509 -0.516 -4.681 65 H THR 8 H THR 8 11.396 -0.106 -7.095 66 HA THR 8 HA THR 8 13.193 -1.838 -8.622 67 HB THR 8 HB THR 8 12.812 -3.004 -6.504 68 HG1 THR 8 HG1 THR 8 12.430 -4.899 -7.482 69 1HG2 THR 8 1HG2 THR 8 9.883 -2.835 -7.222 70 2HG2 THR 8 2HG2 THR 8 10.671 -2.037 -5.862 71 3HG2 THR 8 3HG2 THR 8 10.555 -3.796 -5.906 72 H LEU 9 H LEU 9 12.380 -2.638 -10.492 73 HA LEU 9 HA LEU 9 9.617 -1.875 -11.196 74 1HB LEU 9 1HB LEU 9 12.150 -1.715 -12.648 75 2HB LEU 9 2HB LEU 9 10.890 -2.508 -13.565 76 HG LEU 9 HG LEU 9 11.069 -0.089 -14.041 77 1HD1 LEU 9 1HD1 LEU 9 8.683 0.408 -13.869 78 2HD1 LEU 9 2HD1 LEU 9 8.485 -0.938 -12.746 79 3HD1 LEU 9 3HD1 LEU 9 8.969 -1.244 -14.414 80 1HD2 LEU 9 1HD2 LEU 9 10.315 1.539 -12.406 81 2HD2 LEU 9 2HD2 LEU 9 11.727 0.666 -11.809 82 3HD2 LEU 9 3HD2 LEU 9 10.122 0.264 -11.202 83 H GLN 10 H GLN 10 11.221 -4.381 -10.064 84 HA GLN 10 HA GLN 10 10.935 -6.450 -11.921 85 1HB GLN 10 1HB GLN 10 12.329 -6.597 -9.883 86 2HB GLN 10 2HB GLN 10 10.865 -6.697 -8.913 87 1HG GLN 10 1HG GLN 10 11.872 -8.887 -9.277 88 2HG GLN 10 2HG GLN 10 10.261 -8.781 -9.983 89 1HE2 GLN 10 2HE2 GLN 10 12.978 -7.250 -11.492 90 2HE2 GLN 10 1HE2 GLN 10 13.131 -8.344 -12.823 91 HA PRO 11 HA PRO 11 6.628 -7.452 -9.773 92 1HB PRO 11 1HB PRO 11 5.872 -4.660 -9.087 93 2HB PRO 11 2HB PRO 11 5.521 -6.164 -8.229 94 1HG PRO 11 1HG PRO 11 7.354 -4.470 -7.310 95 2HG PRO 11 2HG PRO 11 7.604 -6.222 -7.210 96 1HD PRO 11 1HD PRO 11 8.790 -4.241 -9.105 97 2HD PRO 11 2HD PRO 11 9.535 -5.661 -8.345 98 H VAL 12 H VAL 12 7.467 -4.529 -11.525 99 HA VAL 12 HA VAL 12 5.009 -4.494 -13.043 100 HB VAL 12 HB VAL 12 7.587 -2.988 -13.538 101 1HG1 VAL 12 1HG1 VAL 12 6.190 -3.186 -15.543 102 2HG1 VAL 12 2HG1 VAL 12 6.239 -1.527 -14.947 103 3HG1 VAL 12 3HG1 VAL 12 4.819 -2.528 -14.648 104 1HG2 VAL 12 1HG2 VAL 12 5.055 -2.119 -12.147 105 2HG2 VAL 12 2HG2 VAL 12 6.435 -1.083 -12.509 106 3HG2 VAL 12 3HG2 VAL 12 6.611 -2.423 -11.377 107 H TRP 13 H TRP 13 8.425 -5.261 -13.708 108 HA TRP 13 HA TRP 13 8.034 -6.100 -16.358 109 1HB TRP 13 1HB TRP 13 10.152 -6.897 -14.363 110 2HB TRP 13 2HB TRP 13 10.185 -7.373 -16.055 111 HD1 TRP 13 HD1 TRP 13 12.191 -5.315 -14.281 112 HE1 TRP 13 HE1 TRP 13 12.807 -3.097 -15.425 113 HE3 TRP 13 HE3 TRP 13 8.424 -5.097 -17.748 114 HZ2 TRP 13 HZ2 TRP 13 11.831 -1.476 -17.513 115 HZ3 TRP 13 HZ3 TRP 13 8.343 -3.174 -19.273 116 HH2 TRP 13 HH2 TRP 13 10.010 -1.398 -19.151 117 H ASP 14 H ASP 14 8.096 -7.946 -13.336 118 HA ASP 14 HA ASP 14 7.670 -10.499 -14.295 119 1HB ASP 14 1HB ASP 14 8.020 -10.040 -11.930 120 2HB ASP 14 2HB ASP 14 6.478 -9.196 -11.840 121 H ARG 15 H ARG 15 5.218 -8.047 -13.536 122 HA ARG 15 HA ARG 15 3.024 -9.650 -14.373 123 1HB ARG 15 1HB ARG 15 2.866 -7.748 -12.768 124 2HB ARG 15 2HB ARG 15 3.159 -6.643 -14.102 125 1HG ARG 15 1HG ARG 15 1.100 -7.233 -15.143 126 2HG ARG 15 2HG ARG 15 0.847 -8.557 -14.007 127 1HD ARG 15 1HD ARG 15 0.755 -6.893 -12.170 128 2HD ARG 15 2HD ARG 15 0.863 -5.613 -13.375 129 HE ARG 15 HE ARG 15 -1.320 -6.072 -14.062 130 1HH1 ARG 15 1HH1 ARG 15 -0.269 -8.287 -11.550 131 2HH1 ARG 15 2HH1 ARG 15 -1.871 -8.845 -11.180 132 1HH2 ARG 15 1HH2 ARG 15 -3.426 -6.757 -13.559 133 2HH2 ARG 15 2HH2 ARG 15 -3.680 -7.958 -12.323 134 H TYR 16 H TYR 16 4.958 -7.140 -15.907 135 HA TYR 16 HA TYR 16 3.488 -6.732 -18.222 136 1HB TYR 16 1HB TYR 16 5.387 -5.332 -17.581 137 2HB TYR 16 2HB TYR 16 6.491 -6.672 -17.863 138 HD1 TYR 16 HD1 TYR 16 7.633 -6.706 -19.864 139 HD2 TYR 16 HD2 TYR 16 3.863 -4.746 -19.699 140 HE1 TYR 16 HE1 TYR 16 7.906 -6.000 -22.203 141 HE2 TYR 16 HE2 TYR 16 4.127 -4.028 -22.034 142 HH TYR 16 HH TYR 16 5.853 -3.673 -23.670 143 H ASP 17 H ASP 17 6.141 -9.073 -17.697 144 HA ASP 17 HA ASP 17 5.892 -10.221 -20.286 145 1HB ASP 17 1HB ASP 17 7.244 -11.137 -17.757 146 2HB ASP 17 2HB ASP 17 7.187 -12.163 -19.188 147 H THR 18 H THR 18 4.245 -10.760 -17.272 148 HA THR 18 HA THR 18 3.084 -13.271 -18.015 149 HB THR 18 HB THR 18 2.125 -11.309 -15.911 150 HG1 THR 18 HG1 THR 18 4.118 -11.871 -15.229 151 1HG2 THR 18 1HG2 THR 18 1.114 -13.300 -14.867 152 2HG2 THR 18 2HG2 THR 18 1.637 -14.277 -16.239 153 3HG2 THR 18 3HG2 THR 18 0.446 -12.997 -16.470 154 H GLN 19 H GLN 19 2.525 -10.057 -18.927 155 HA GLN 19 HA GLN 19 -0.152 -10.714 -19.935 156 1HB GLN 19 1HB GLN 19 1.314 -8.068 -19.834 157 2HB GLN 19 2HB GLN 19 -0.300 -8.306 -20.490 158 1HG GLN 19 1HG GLN 19 -1.178 -8.862 -18.360 159 2HG GLN 19 2HG GLN 19 0.433 -8.956 -17.652 160 1HE2 GLN 19 2HE2 GLN 19 -2.107 -6.853 -18.744 161 2HE2 GLN 19 1HE2 GLN 19 -1.470 -5.405 -18.046 162 H ILE 20 H ILE 20 3.026 -9.559 -20.950 163 HA ILE 20 HA ILE 20 2.560 -9.398 -23.674 164 HB ILE 20 HB ILE 20 4.698 -9.043 -21.861 165 1HG1 ILE 20 1HG1 ILE 20 5.514 -7.585 -23.608 166 2HG1 ILE 20 2HG1 ILE 20 4.481 -8.390 -24.778 167 1HG2 ILE 20 1HG2 ILE 20 5.698 -11.110 -22.574 168 2HG2 ILE 20 2HG2 ILE 20 6.613 -9.759 -23.244 169 3HG2 ILE 20 3HG2 ILE 20 5.498 -10.664 -24.267 170 1HD1 ILE 20 1HD1 ILE 20 2.509 -7.595 -23.619 171 2HD1 ILE 20 2HD1 ILE 20 3.550 -6.254 -24.094 172 3HD1 ILE 20 3HD1 ILE 20 3.527 -6.802 -22.418 173 H HIS 21 H HIS 21 3.011 -12.239 -21.727 174 HA HIS 21 HA HIS 21 3.831 -13.871 -23.955 175 1HB HIS 21 1HB HIS 21 4.000 -15.642 -22.495 176 2HB HIS 21 2HB HIS 21 4.204 -14.297 -21.383 177 HD1 HIS 21 HD1 HIS 21 2.200 -17.274 -21.996 178 HD2 HIS 21 HD2 HIS 21 1.773 -13.747 -19.830 179 HE1 HIS 21 HE1 HIS 21 0.361 -17.717 -20.336 180 H ASN 22 H ASN 22 1.018 -12.383 -23.226 181 HA ASN 22 HA ASN 22 -0.553 -14.370 -24.740 182 1HB ASN 22 1HB ASN 22 -1.215 -13.932 -22.280 183 2HB ASN 22 2HB ASN 22 -1.765 -12.360 -22.842 184 1HD2 ASN 22 2HD2 ASN 22 -2.743 -13.337 -25.413 185 2HD2 ASN 22 1HD2 ASN 22 -4.175 -14.244 -25.066 186 H GLN 23 H GLN 23 -0.054 -10.938 -24.016 187 HA GLN 23 HA GLN 23 0.032 -9.103 -25.334 188 1HB GLN 23 1HB GLN 23 0.211 -11.264 -27.394 189 2HB GLN 23 2HB GLN 23 0.057 -9.589 -27.893 190 1HG GLN 23 1HG GLN 23 2.090 -9.010 -26.764 191 2HG GLN 23 2HG GLN 23 2.213 -10.629 -26.080 192 1HE2 GLN 23 2HE2 GLN 23 2.341 -8.755 -29.028 193 2HE2 GLN 23 1HE2 GLN 23 3.251 -9.910 -29.946 194 H LYS 24 H LYS 24 -1.035 -8.235 -27.528 195 HA LYS 24 HA LYS 24 -2.805 -7.640 -28.769 196 1HB LYS 24 1HB LYS 24 -3.219 -10.166 -28.767 197 2HB LYS 24 2HB LYS 24 -4.465 -9.836 -27.569 198 1HG LYS 24 1HG LYS 24 -5.628 -8.404 -29.120 199 2HG LYS 24 2HG LYS 24 -4.340 -8.594 -30.311 200 1HD LYS 24 1HD LYS 24 -4.826 -11.045 -30.320 201 2HD LYS 24 2HD LYS 24 -6.224 -10.715 -29.295 202 1HE LYS 24 1HE LYS 24 -5.734 -9.610 -32.056 203 2HE LYS 24 2HE LYS 24 -6.883 -10.876 -31.636 204 1HZ LYS 24 1HZ LYS 24 -7.910 -8.671 -31.896 205 2HZ LYS 24 2HZ LYS 24 -6.992 -8.094 -30.595 206 3HZ LYS 24 3HZ LYS 24 -8.141 -9.317 -30.344 207 H ASP 25 H ASP 25 -2.431 -6.045 -26.872 208 HA ASP 25 HA ASP 25 -3.397 -4.293 -25.801 209 1HB ASP 25 1HB ASP 25 -5.932 -5.291 -27.129 210 2HB ASP 25 2HB ASP 25 -5.710 -3.701 -26.411 211 H ASN 26 H ASN 26 -2.934 -6.038 -23.955 212 HA ASN 26 HA ASN 26 -5.292 -7.011 -22.626 213 1HB ASN 26 1HB ASN 26 -2.981 -8.035 -22.455 214 2HB ASN 26 2HB ASN 26 -2.539 -6.677 -21.424 215 1HD2 ASN 26 2HD2 ASN 26 -4.544 -9.509 -21.724 216 2HD2 ASN 26 1HD2 ASN 26 -4.870 -9.702 -20.036 217 H ASP 27 H ASP 27 -6.630 -5.274 -22.275 218 HA ASP 27 HA ASP 27 -5.665 -2.925 -20.872 219 1HB ASP 27 1HB ASP 27 -7.175 -2.328 -22.550 220 2HB ASP 27 2HB ASP 27 -8.247 -3.682 -22.205 221 H ASN 28 H ASN 28 -6.214 -2.281 -18.860 222 HA ASN 28 HA ASN 28 -7.493 -4.250 -17.117 223 1HB ASN 28 1HB ASN 28 -5.346 -3.289 -16.368 224 2HB ASN 28 2HB ASN 28 -6.048 -1.675 -16.431 225 1HD2 ASN 28 2HD2 ASN 28 -7.592 -4.619 -15.273 226 2HD2 ASN 28 1HD2 ASN 28 -7.753 -4.100 -13.635 227 H GLU 29 H GLU 29 -7.534 -0.703 -16.930 228 HA GLU 29 HA GLU 29 -10.411 -0.631 -17.401 229 1HB GLU 29 1HB GLU 29 -9.126 0.366 -14.851 230 2HB GLU 29 2HB GLU 29 -10.763 0.754 -15.349 231 1HG GLU 29 1HG GLU 29 -11.235 -1.719 -15.328 232 2HG GLU 29 2HG GLU 29 -9.661 -1.926 -14.559 233 H VAL 30 H VAL 30 -7.947 0.370 -18.745 234 HA VAL 30 HA VAL 30 -8.112 3.242 -18.235 235 HB VAL 30 HB VAL 30 -6.029 3.320 -19.659 236 1HG1 VAL 30 1HG1 VAL 30 -4.577 2.568 -17.830 237 2HG1 VAL 30 2HG1 VAL 30 -5.947 1.729 -17.101 238 3HG1 VAL 30 3HG1 VAL 30 -5.958 3.488 -17.234 239 1HG2 VAL 30 1HG2 VAL 30 -6.142 0.338 -19.265 240 2HG2 VAL 30 2HG2 VAL 30 -4.748 1.232 -19.868 241 3HG2 VAL 30 3HG2 VAL 30 -6.243 1.196 -20.803 242 HA PRO 31 HA PRO 31 -10.256 3.774 -22.077 243 1HB PRO 31 1HB PRO 31 -10.151 6.466 -22.205 244 2HB PRO 31 2HB PRO 31 -11.211 5.606 -21.087 245 1HG PRO 31 1HG PRO 31 -8.605 6.958 -20.564 246 2HG PRO 31 2HG PRO 31 -10.053 6.876 -19.546 247 1HD PRO 31 1HD PRO 31 -7.802 5.314 -19.208 248 2HD PRO 31 2HD PRO 31 -9.421 4.899 -18.614 249 H VAL 32 H VAL 32 -8.556 2.750 -23.278 250 HA VAL 32 HA VAL 32 -7.325 4.548 -25.140 251 HB VAL 32 HB VAL 32 -5.612 4.521 -23.385 252 1HG1 VAL 32 1HG1 VAL 32 -6.102 2.357 -22.387 253 2HG1 VAL 32 2HG1 VAL 32 -4.398 2.483 -22.823 254 3HG1 VAL 32 3HG1 VAL 32 -5.500 1.543 -23.831 255 1HG2 VAL 32 1HG2 VAL 32 -3.702 3.795 -24.766 256 2HG2 VAL 32 2HG2 VAL 32 -4.867 4.763 -25.667 257 3HG2 VAL 32 3HG2 VAL 32 -4.828 3.011 -25.874 258 H HIS 33 H HIS 33 -7.123 3.650 -27.079 259 HA HIS 33 HA HIS 33 -7.041 0.792 -27.428 260 1HB HIS 33 1HB HIS 33 -9.136 0.798 -28.861 261 2HB HIS 33 2HB HIS 33 -9.386 0.897 -27.127 262 HD1 HIS 33 HD1 HIS 33 -10.166 2.579 -30.284 263 HD2 HIS 33 HD2 HIS 33 -10.154 3.549 -26.233 264 HE1 HIS 33 HE1 HIS 33 -11.523 4.693 -30.081 265 H GLN 34 H GLN 34 -7.334 3.997 -28.839 266 HA GLN 34 HA GLN 34 -5.903 3.019 -31.225 267 1HB GLN 34 1HB GLN 34 -8.208 4.426 -31.222 268 2HB GLN 34 2HB GLN 34 -7.067 5.761 -31.168 269 1HG GLN 34 1HG GLN 34 -7.261 3.623 -33.276 270 2HG GLN 34 2HG GLN 34 -7.679 5.325 -33.445 271 1HE2 GLN 34 2HE2 GLN 34 -6.010 6.860 -33.609 272 2HE2 GLN 34 1HE2 GLN 34 -4.396 6.389 -34.011 273 H VAL 35 H VAL 35 -3.805 3.544 -31.328 274 HA VAL 35 HA VAL 35 -2.840 5.722 -29.594 275 HB VAL 35 HB VAL 35 -1.343 3.257 -30.514 276 1HG1 VAL 35 1HG1 VAL 35 0.119 5.203 -30.290 277 2HG1 VAL 35 2HG1 VAL 35 0.442 4.008 -29.032 278 3HG1 VAL 35 3HG1 VAL 35 -0.477 5.466 -28.651 279 1HG2 VAL 35 1HG2 VAL 35 -3.007 2.730 -28.830 280 2HG2 VAL 35 2HG2 VAL 35 -2.405 4.028 -27.800 281 3HG2 VAL 35 3HG2 VAL 35 -1.388 2.627 -28.138 282 H SER 36 H SER 36 -1.720 7.349 -30.510 283 HA SER 36 HA SER 36 -0.897 7.055 -33.312 284 1HB SER 36 1HB SER 36 -3.043 8.367 -33.050 285 2HB SER 36 2HB SER 36 -2.123 9.564 -32.139 286 HG SER 36 HG SER 36 -1.741 8.781 -34.841 287 H TYR 37 H TYR 37 0.513 9.094 -33.881 288 HA TYR 37 HA TYR 37 2.934 8.881 -32.544 289 1HB TYR 37 1HB TYR 37 2.641 9.764 -34.836 290 2HB TYR 37 2HB TYR 37 1.904 11.217 -34.174 291 HD1 TYR 37 HD1 TYR 37 3.303 12.834 -32.893 292 HD2 TYR 37 HD2 TYR 37 5.002 9.480 -34.891 293 HE1 TYR 37 HE1 TYR 37 5.519 13.887 -32.764 294 HE2 TYR 37 HE2 TYR 37 7.227 10.522 -34.756 295 HH TYR 37 HH TYR 37 8.037 13.103 -34.572 296 H THR 38 H THR 38 0.608 11.572 -32.374 297 HA THR 38 HA THR 38 1.957 13.048 -30.410 298 HB THR 38 HB THR 38 -1.038 13.080 -30.738 299 HG1 THR 38 HG1 THR 38 -0.614 14.504 -32.549 300 1HG2 THR 38 1HG2 THR 38 1.012 15.254 -30.273 301 2HG2 THR 38 2HG2 THR 38 -0.048 14.561 -29.046 302 3HG2 THR 38 3HG2 THR 38 -0.733 15.484 -30.383 303 H ASN 39 H ASN 39 -0.576 10.606 -30.171 304 HA ASN 39 HA ASN 39 -1.157 10.757 -27.454 305 1HB ASN 39 1HB ASN 39 -1.612 8.882 -29.610 306 2HB ASN 39 2HB ASN 39 -1.238 8.023 -28.122 307 1HD2 ASN 39 2HD2 ASN 39 -2.854 11.131 -28.304 308 2HD2 ASN 39 1HD2 ASN 39 -4.382 10.571 -27.717 309 H LEU 40 H LEU 40 1.310 8.822 -29.124 310 HA LEU 40 HA LEU 40 2.322 7.444 -26.935 311 1HB LEU 40 1HB LEU 40 3.523 8.350 -29.520 312 2HB LEU 40 2HB LEU 40 4.504 7.520 -28.328 313 HG LEU 40 HG LEU 40 1.933 6.322 -29.318 314 1HD1 LEU 40 1HD1 LEU 40 3.253 5.062 -30.946 315 2HD1 LEU 40 2HD1 LEU 40 4.669 6.032 -30.542 316 3HD1 LEU 40 3HD1 LEU 40 3.264 6.791 -31.291 317 1HD2 LEU 40 1HD2 LEU 40 4.470 5.123 -28.210 318 2HD2 LEU 40 2HD2 LEU 40 2.999 4.246 -28.639 319 3HD2 LEU 40 3HD2 LEU 40 2.985 5.392 -27.298 320 H ALA 41 H ALA 41 3.377 10.584 -28.243 321 HA ALA 41 HA ALA 41 5.448 11.022 -26.406 322 1HB ALA 41 1HB ALA 41 5.329 13.352 -27.064 323 2HB ALA 41 2HB ALA 41 3.735 13.093 -27.770 324 3HB ALA 41 3HB ALA 41 5.148 12.314 -28.479 325 H GLU 42 H GLU 42 2.000 11.566 -26.196 326 HA GLU 42 HA GLU 42 2.116 13.091 -23.784 327 1HB GLU 42 1HB GLU 42 -0.123 11.750 -25.280 328 2HB GLU 42 2HB GLU 42 -0.390 12.599 -23.765 329 1HG GLU 42 1HG GLU 42 0.748 13.795 -26.284 330 2HG GLU 42 2HG GLU 42 -0.894 14.008 -25.682 331 H MET 43 H MET 43 1.172 9.706 -24.500 332 HA MET 43 HA MET 43 0.731 9.069 -21.779 333 1HB MET 43 1HB MET 43 1.068 7.415 -24.245 334 2HB MET 43 2HB MET 43 1.089 6.635 -22.669 335 1HG MET 43 1HG MET 43 -1.116 6.477 -22.984 336 2HG MET 43 2HG MET 43 -1.132 8.153 -22.441 337 1HE MET 43 1HE MET 43 -1.399 6.766 -26.830 338 2HE MET 43 2HE MET 43 -1.425 5.690 -25.436 339 3HE MET 43 3HE MET 43 0.061 6.540 -25.865 340 H VAL 44 H VAL 44 3.612 8.746 -23.843 341 HA VAL 44 HA VAL 44 5.188 7.402 -21.913 342 HB VAL 44 HB VAL 44 6.019 9.246 -24.161 343 1HG1 VAL 44 1HG1 VAL 44 8.282 8.343 -23.878 344 2HG1 VAL 44 2HG1 VAL 44 7.752 7.473 -22.438 345 3HG1 VAL 44 3HG1 VAL 44 7.759 9.237 -22.453 346 1HG2 VAL 44 1HG2 VAL 44 6.675 7.154 -25.265 347 2HG2 VAL 44 2HG2 VAL 44 4.952 7.192 -24.900 348 3HG2 VAL 44 3HG2 VAL 44 6.044 6.240 -23.895 349 H GLY 45 H GLY 45 4.474 10.793 -22.494 350 1HA GLY 45 1HA GLY 45 6.294 11.896 -20.646 351 2HA GLY 45 2HA GLY 45 4.814 12.659 -21.208 352 H GLU 46 H GLU 46 2.931 10.797 -20.252 353 HA GLU 46 HA GLU 46 2.827 11.682 -17.534 354 1HB GLU 46 1HB GLU 46 0.659 10.636 -17.421 355 2HB GLU 46 2HB GLU 46 0.805 11.518 -18.931 356 1HG GLU 46 1HG GLU 46 1.188 9.461 -20.134 357 2HG GLU 46 2HG GLU 46 1.146 8.548 -18.626 358 H MET 47 H MET 47 3.909 8.784 -19.101 359 HA MET 47 HA MET 47 3.842 7.047 -16.883 360 1HB MET 47 1HB MET 47 5.777 7.188 -19.197 361 2HB MET 47 2HB MET 47 5.776 5.895 -18.009 362 1HG MET 47 1HG MET 47 3.321 6.528 -19.597 363 2HG MET 47 2HG MET 47 4.608 5.533 -20.270 364 1HE MET 47 1HE MET 47 1.690 5.884 -17.855 365 2HE MET 47 2HE MET 47 2.865 5.633 -16.563 366 3HE MET 47 3HE MET 47 1.678 4.387 -16.926 367 H ASN 48 H ASN 48 6.114 9.511 -17.906 368 HA ASN 48 HA ASN 48 8.128 8.933 -16.016 369 1HB ASN 48 1HB ASN 48 7.485 11.358 -17.669 370 2HB ASN 48 2HB ASN 48 8.768 11.403 -16.466 371 1HD2 ASN 48 2HD2 ASN 48 7.744 10.069 -19.525 372 2HD2 ASN 48 1HD2 ASN 48 9.291 9.459 -19.987 373 H LYS 49 H LYS 49 5.310 11.096 -15.901 374 HA LYS 49 HA LYS 49 6.146 12.247 -13.417 375 1HB LYS 49 1HB LYS 49 3.934 13.360 -13.400 376 2HB LYS 49 2HB LYS 49 4.845 13.628 -14.874 377 1HG LYS 49 1HG LYS 49 2.776 13.243 -15.740 378 2HG LYS 49 2HG LYS 49 3.414 11.603 -15.746 379 1HD LYS 49 1HD LYS 49 2.245 11.113 -13.669 380 2HD LYS 49 2HD LYS 49 1.656 12.776 -13.590 381 1HE LYS 49 1HE LYS 49 0.480 12.429 -15.731 382 2HE LYS 49 2HE LYS 49 1.022 10.753 -15.740 383 1HZ LYS 49 1HZ LYS 49 -0.764 12.010 -13.719 384 2HZ LYS 49 2HZ LYS 49 -0.217 10.408 -13.670 385 3HZ LYS 49 3HZ LYS 49 -1.226 10.915 -14.930 386 H LEU 50 H LEU 50 4.740 9.307 -14.166 387 HA LEU 50 HA LEU 50 3.360 9.052 -11.614 388 1HB LEU 50 1HB LEU 50 3.785 7.143 -13.907 389 2HB LEU 50 2HB LEU 50 3.027 6.662 -12.401 390 HG LEU 50 HG LEU 50 1.990 8.783 -14.284 391 1HD1 LEU 50 1HD1 LEU 50 1.011 5.994 -13.690 392 2HD1 LEU 50 2HD1 LEU 50 1.738 6.549 -15.199 393 3HD1 LEU 50 3HD1 LEU 50 0.174 7.183 -14.688 394 1HD2 LEU 50 1HD2 LEU 50 1.443 9.310 -11.985 395 2HD2 LEU 50 2HD2 LEU 50 0.859 7.667 -11.722 396 3HD2 LEU 50 3HD2 LEU 50 0.003 8.740 -12.828 397 H LEU 51 H LEU 51 6.472 8.789 -12.766 398 HA LEU 51 HA LEU 51 7.266 7.074 -10.509 399 1HB LEU 51 1HB LEU 51 8.427 7.210 -13.296 400 2HB LEU 51 2HB LEU 51 9.238 6.427 -11.953 401 HG LEU 51 HG LEU 51 6.519 5.605 -12.994 402 1HD1 LEU 51 1HD1 LEU 51 8.225 5.227 -14.689 403 2HD1 LEU 51 2HD1 LEU 51 7.711 3.695 -13.978 404 3HD1 LEU 51 3HD1 LEU 51 9.247 4.418 -13.502 405 1HD2 LEU 51 1HD2 LEU 51 8.441 4.299 -11.070 406 2HD2 LEU 51 2HD2 LEU 51 6.938 3.589 -11.661 407 3HD2 LEU 51 3HD2 LEU 51 6.895 5.041 -10.659 408 H GLU 52 H GLU 52 7.051 10.065 -11.452 409 HA GLU 52 HA GLU 52 9.598 11.145 -11.375 410 1HB GLU 52 1HB GLU 52 7.534 12.174 -12.318 411 2HB GLU 52 2HB GLU 52 6.979 12.459 -10.673 412 1HG GLU 52 1HG GLU 52 8.984 13.740 -10.266 413 2HG GLU 52 2HG GLU 52 9.442 13.538 -11.947 414 HA PRO 53 HA PRO 53 8.998 11.894 -6.723 415 1HB PRO 53 1HB PRO 53 6.810 11.161 -5.400 416 2HB PRO 53 2HB PRO 53 6.799 12.596 -6.431 417 1HG PRO 53 1HG PRO 53 5.714 9.868 -6.973 418 2HG PRO 53 2HG PRO 53 5.023 11.449 -7.377 419 1HD PRO 53 1HD PRO 53 6.461 9.821 -9.117 420 2HD PRO 53 2HD PRO 53 6.170 11.556 -9.335 421 H SER 54 H SER 54 9.494 9.223 -8.154 422 HA SER 54 HA SER 54 9.485 7.527 -5.747 423 1HB SER 54 1HB SER 54 9.405 5.577 -7.152 424 2HB SER 54 2HB SER 54 8.132 6.672 -7.688 425 HG SER 54 HG SER 54 9.679 7.392 -9.319 426 H GLN 55 H GLN 55 11.289 5.688 -6.176 427 HA GLN 55 HA GLN 55 13.775 7.187 -6.253 428 1HB GLN 55 1HB GLN 55 13.201 5.662 -4.359 429 2HB GLN 55 2HB GLN 55 13.276 4.318 -5.480 430 1HG GLN 55 1HG GLN 55 15.555 4.462 -5.721 431 2HG GLN 55 2HG GLN 55 15.607 6.128 -5.159 432 1HE2 GLN 55 2HE2 GLN 55 13.874 5.621 -2.882 433 2HE2 GLN 55 1HE2 GLN 55 14.824 4.748 -1.730 434 H VAL 56 H VAL 56 11.954 4.990 -8.168 435 HA VAL 56 HA VAL 56 14.211 4.023 -9.640 436 HB VAL 56 HB VAL 56 12.371 3.253 -11.302 437 1HG1 VAL 56 1HG1 VAL 56 11.924 1.291 -9.952 438 2HG1 VAL 56 2HG1 VAL 56 12.436 2.152 -8.502 439 3HG1 VAL 56 3HG1 VAL 56 13.605 1.792 -9.771 440 1HG2 VAL 56 1HG2 VAL 56 10.154 2.982 -10.303 441 2HG2 VAL 56 2HG2 VAL 56 10.579 4.686 -10.474 442 3HG2 VAL 56 3HG2 VAL 56 10.677 3.907 -8.895 443 H HIS 57 H HIS 57 15.322 5.422 -10.804 444 HA HIS 57 HA HIS 57 13.894 7.517 -12.264 445 1HB HIS 57 1HB HIS 57 16.829 7.200 -11.610 446 2HB HIS 57 2HB HIS 57 16.184 8.492 -12.617 447 HD1 HIS 57 HD1 HIS 57 14.918 10.394 -11.442 448 HD2 HIS 57 HD2 HIS 57 16.270 7.427 -8.857 449 HE1 HIS 57 HE1 HIS 57 14.698 11.358 -9.127 450 H LEU 58 H LEU 58 13.162 5.593 -13.596 451 HA LEU 58 HA LEU 58 15.138 4.757 -15.573 452 1HB LEU 58 1HB LEU 58 12.347 3.869 -14.918 453 2HB LEU 58 2HB LEU 58 13.064 3.461 -16.464 454 HG LEU 58 HG LEU 58 14.920 2.318 -15.267 455 1HD1 LEU 58 1HD1 LEU 58 13.256 2.825 -12.809 456 2HD1 LEU 58 2HD1 LEU 58 14.827 3.541 -13.164 457 3HD1 LEU 58 3HD1 LEU 58 14.692 1.802 -12.900 458 1HD2 LEU 58 1HD2 LEU 58 13.012 1.064 -16.094 459 2HD2 LEU 58 2HD2 LEU 58 12.151 1.349 -14.581 460 3HD2 LEU 58 3HD2 LEU 58 13.619 0.372 -14.591 461 H LYS 59 H LYS 59 15.339 5.691 -17.462 462 HA LYS 59 HA LYS 59 13.523 7.914 -18.057 463 1HB LYS 59 1HB LYS 59 16.281 7.338 -19.174 464 2HB LYS 59 2HB LYS 59 15.363 8.833 -19.347 465 1HG LYS 59 1HG LYS 59 15.585 9.349 -17.052 466 2HG LYS 59 2HG LYS 59 16.195 7.737 -16.678 467 1HD LYS 59 1HD LYS 59 18.177 8.272 -18.137 468 2HD LYS 59 2HD LYS 59 17.587 9.937 -18.195 469 1HE LYS 59 1HE LYS 59 17.722 10.095 -15.780 470 2HE LYS 59 2HE LYS 59 18.227 8.413 -15.672 471 1HZ LYS 59 1HZ LYS 59 20.169 9.663 -15.483 472 2HZ LYS 59 2HZ LYS 59 19.744 10.715 -16.741 473 3HZ LYS 59 3HZ LYS 59 20.190 9.116 -17.090 474 H PHE 60 H PHE 60 12.126 7.744 -19.672 475 HA PHE 60 HA PHE 60 12.345 5.478 -21.496 476 1HB PHE 60 1HB PHE 60 10.071 7.436 -21.098 477 2HB PHE 60 2HB PHE 60 10.020 5.979 -22.084 478 HD1 PHE 60 HD1 PHE 60 10.225 3.747 -20.957 479 HD2 PHE 60 HD2 PHE 60 9.640 7.362 -18.792 480 HE1 PHE 60 HE1 PHE 60 9.467 2.454 -19.006 481 HE2 PHE 60 HE2 PHE 60 8.881 6.077 -16.839 482 HZ PHE 60 HZ PHE 60 8.794 3.620 -16.942 483 H GLU 61 H GLU 61 12.970 5.693 -23.557 484 HA GLU 61 HA GLU 61 13.042 8.414 -24.695 485 1HB GLU 61 1HB GLU 61 14.957 6.105 -24.936 486 2HB GLU 61 2HB GLU 61 14.921 7.388 -26.139 487 1HG GLU 61 1HG GLU 61 15.250 7.990 -23.223 488 2HG GLU 61 2HG GLU 61 16.624 7.549 -24.237 489 H LEU 62 H LEU 62 12.084 8.734 -26.613 490 HA LEU 62 HA LEU 62 10.875 6.391 -27.913 491 1HB LEU 62 1HB LEU 62 9.336 8.197 -27.242 492 2HB LEU 62 2HB LEU 62 10.230 9.323 -28.243 493 HG LEU 62 HG LEU 62 9.597 7.996 -30.250 494 1HD1 LEU 62 1HD1 LEU 62 7.921 6.465 -28.267 495 2HD1 LEU 62 2HD1 LEU 62 9.259 5.836 -29.227 496 3HD1 LEU 62 3HD1 LEU 62 7.773 6.354 -30.020 497 1HD2 LEU 62 1HD2 LEU 62 8.309 9.966 -29.581 498 2HD2 LEU 62 2HD2 LEU 62 7.284 8.954 -28.563 499 3HD2 LEU 62 3HD2 LEU 62 7.274 8.740 -30.313 500 H HIS 63 H HIS 63 12.555 5.647 -29.126 501 HA HIS 63 HA HIS 63 13.736 7.524 -31.050 502 1HB HIS 63 1HB HIS 63 14.756 4.994 -29.817 503 2HB HIS 63 2HB HIS 63 15.366 5.504 -31.386 504 HD1 HIS 63 HD1 HIS 63 16.874 7.582 -31.464 505 HD2 HIS 63 HD2 HIS 63 15.559 6.596 -27.641 506 HE1 HIS 63 HE1 HIS 63 18.296 8.933 -29.883 507 H ASP 64 H ASP 64 13.309 7.354 -33.117 508 HA ASP 64 HA ASP 64 11.577 5.168 -33.985 509 1HB ASP 64 1HB ASP 64 10.972 6.577 -35.841 510 2HB ASP 64 2HB ASP 64 10.878 7.538 -34.371 511 H LYS 65 H LYS 65 11.961 4.099 -35.986 512 HA LYS 65 HA LYS 65 14.580 4.369 -37.225 513 1HB LYS 65 1HB LYS 65 15.347 2.194 -36.824 514 2HB LYS 65 2HB LYS 65 14.657 2.633 -35.268 515 1HG LYS 65 1HG LYS 65 12.575 1.445 -35.909 516 2HG LYS 65 2HG LYS 65 13.363 0.941 -37.394 517 1HD LYS 65 1HD LYS 65 15.000 -0.326 -36.173 518 2HD LYS 65 2HD LYS 65 14.366 0.268 -34.635 519 1HE LYS 65 1HE LYS 65 12.326 -0.905 -34.914 520 2HE LYS 65 2HE LYS 65 12.687 -1.267 -36.600 521 1HZ LYS 65 1HZ LYS 65 13.016 -3.177 -35.117 522 2HZ LYS 65 2HZ LYS 65 14.223 -2.318 -34.284 523 3HZ LYS 65 3HZ LYS 65 14.443 -2.725 -35.916 524 H LEU 66 H LEU 66 14.408 4.016 -39.388 525 HA LEU 66 HA LEU 66 13.544 3.467 -41.413 526 1HB LEU 66 1HB LEU 66 12.992 1.083 -39.710 527 2HB LEU 66 2HB LEU 66 12.405 1.107 -41.354 528 HG LEU 66 HG LEU 66 14.479 -0.059 -41.338 529 1HD1 LEU 66 1HD1 LEU 66 14.908 2.724 -42.397 530 2HD1 LEU 66 2HD1 LEU 66 14.160 1.377 -43.256 531 3HD1 LEU 66 3HD1 LEU 66 15.868 1.308 -42.822 532 1HD2 LEU 66 1HD2 LEU 66 16.558 0.901 -40.507 533 2HD2 LEU 66 2HD2 LEU 66 15.357 0.776 -39.220 534 3HD2 LEU 66 3HD2 LEU 66 15.686 2.338 -39.971 535 H ASN 67 H ASN 67 10.970 1.744 -39.771 536 HA ASN 67 HA ASN 67 9.001 3.661 -40.829 537 1HB ASN 67 1HB ASN 67 9.265 1.683 -42.333 538 2HB ASN 67 2HB ASN 67 8.826 0.639 -40.989 539 1HD2 ASN 67 2HD2 ASN 67 6.705 0.401 -40.444 540 2HD2 ASN 67 1HD2 ASN 67 5.405 1.067 -41.365 541 H GLU 68 H GLU 68 10.253 2.481 -38.135 542 HA GLU 68 HA GLU 68 7.681 2.209 -36.726 543 1HB GLU 68 1HB GLU 68 10.135 0.496 -36.282 544 2HB GLU 68 2HB GLU 68 8.666 0.442 -35.323 545 1HG GLU 68 1HG GLU 68 7.409 -0.356 -37.220 546 2HG GLU 68 2HG GLU 68 8.830 -0.207 -38.254 547 H TYR 69 H TYR 69 8.183 2.161 -34.271 548 HA TYR 69 HA TYR 69 10.511 3.522 -33.339 549 1HB TYR 69 1HB TYR 69 8.990 5.280 -32.130 550 2HB TYR 69 2HB TYR 69 9.538 5.587 -33.768 551 HD1 TYR 69 HD1 TYR 69 7.991 6.312 -35.308 552 HD2 TYR 69 HD2 TYR 69 6.639 4.036 -31.979 553 HE1 TYR 69 HE1 TYR 69 5.666 6.659 -36.024 554 HE2 TYR 69 HE2 TYR 69 4.308 4.368 -32.692 555 HH TYR 69 HH TYR 69 3.482 5.588 -35.763 556 H TYR 70 H TYR 70 10.541 3.574 -30.946 557 HA TYR 70 HA TYR 70 8.472 2.081 -29.599 558 1HB TYR 70 1HB TYR 70 10.206 0.397 -28.727 559 2HB TYR 70 2HB TYR 70 9.591 0.167 -30.360 560 HD1 TYR 70 HD1 TYR 70 11.073 -0.094 -32.120 561 HD2 TYR 70 HD2 TYR 70 12.471 1.683 -28.517 562 HE1 TYR 70 HE1 TYR 70 13.364 -0.125 -33.000 563 HE2 TYR 70 HE2 TYR 70 14.768 1.653 -29.391 564 HH TYR 70 HH TYR 70 16.091 0.459 -31.044 565 H VAL 71 H VAL 71 9.015 1.749 -27.260 566 HA VAL 71 HA VAL 71 10.275 4.209 -26.279 567 HB VAL 71 HB VAL 71 8.463 2.285 -24.805 568 1HG1 VAL 71 1HG1 VAL 71 9.440 5.046 -24.084 569 2HG1 VAL 71 2HG1 VAL 71 9.914 3.532 -23.315 570 3HG1 VAL 71 3HG1 VAL 71 8.254 4.111 -23.173 571 1HG2 VAL 71 1HG2 VAL 71 7.277 3.360 -26.644 572 2HG2 VAL 71 2HG2 VAL 71 7.818 4.942 -26.084 573 3HG2 VAL 71 3HG2 VAL 71 6.718 3.986 -25.092 574 H LYS 72 H LYS 72 12.296 4.006 -25.655 575 HA LYS 72 HA LYS 72 13.370 1.448 -24.756 576 1HB LYS 72 1HB LYS 72 14.786 4.099 -24.926 577 2HB LYS 72 2HB LYS 72 15.509 2.499 -24.858 578 1HG LYS 72 1HG LYS 72 14.504 2.006 -27.064 579 2HG LYS 72 2HG LYS 72 13.944 3.680 -27.132 580 1HD LYS 72 1HD LYS 72 15.978 3.619 -28.324 581 2HD LYS 72 2HD LYS 72 16.342 4.368 -26.773 582 1HE LYS 72 1HE LYS 72 18.061 2.876 -26.878 583 2HE LYS 72 2HE LYS 72 16.858 1.885 -26.074 584 1HZ LYS 72 1HZ LYS 72 17.965 0.706 -27.886 585 2HZ LYS 72 2HZ LYS 72 17.408 1.859 -28.993 586 3HZ LYS 72 3HZ LYS 72 16.300 0.861 -28.170 587 H VAL 73 H VAL 73 13.734 0.950 -22.637 588 HA VAL 73 HA VAL 73 13.300 3.090 -20.669 589 HB VAL 73 HB VAL 73 13.489 0.104 -20.200 590 1HG1 VAL 73 1HG1 VAL 73 12.604 2.342 -18.383 591 2HG1 VAL 73 2HG1 VAL 73 14.099 1.418 -18.250 592 3HG1 VAL 73 3HG1 VAL 73 12.547 0.621 -17.999 593 1HG2 VAL 73 1HG2 VAL 73 11.531 0.632 -21.539 594 2HG2 VAL 73 2HG2 VAL 73 11.048 1.868 -20.378 595 3HG2 VAL 73 3HG2 VAL 73 11.057 0.169 -19.904 596 H ILE 74 H ILE 74 15.094 4.091 -20.052 597 HA ILE 74 HA ILE 74 17.627 2.606 -20.058 598 HB ILE 74 HB ILE 74 17.152 5.592 -20.002 599 1HG1 ILE 74 1HG1 ILE 74 18.155 3.807 -22.231 600 2HG1 ILE 74 2HG1 ILE 74 16.553 4.530 -22.155 601 1HG2 ILE 74 1HG2 ILE 74 19.209 4.956 -18.854 602 2HG2 ILE 74 2HG2 ILE 74 19.562 5.788 -20.370 603 3HG2 ILE 74 3HG2 ILE 74 19.719 4.034 -20.268 604 1HD1 ILE 74 1HD1 ILE 74 17.549 6.750 -22.270 605 2HD1 ILE 74 2HD1 ILE 74 18.011 5.760 -23.654 606 3HD1 ILE 74 3HD1 ILE 74 19.155 6.025 -22.339 607 H GLU 75 H GLU 75 18.444 1.994 -18.198 608 HA GLU 75 HA GLU 75 17.367 2.937 -15.696 609 1HB GLU 75 1HB GLU 75 18.105 0.553 -16.231 610 2HB GLU 75 2HB GLU 75 19.754 1.131 -16.117 611 1HG GLU 75 1HG GLU 75 17.747 1.332 -13.889 612 2HG GLU 75 2HG GLU 75 18.877 -0.004 -14.079 613 H ASP 76 H ASP 76 18.195 4.520 -14.482 614 HA ASP 76 HA ASP 76 19.829 6.446 -15.629 615 1HB ASP 76 1HB ASP 76 18.308 7.101 -13.926 616 2HB ASP 76 2HB ASP 76 19.041 6.011 -12.755 617 H SER 77 H SER 77 20.736 4.147 -13.035 618 HA SER 77 HA SER 77 23.274 5.416 -12.712 619 1HB SER 77 1HB SER 77 22.022 4.193 -10.901 620 2HB SER 77 2HB SER 77 22.482 2.686 -11.693 621 HG SER 77 HG SER 77 24.521 4.511 -11.178 622 H THR 78 H THR 78 22.249 2.360 -14.220 623 HA THR 78 HA THR 78 24.947 1.688 -14.958 624 HB THR 78 HB THR 78 22.475 0.417 -16.131 625 HG1 THR 78 HG1 THR 78 22.219 0.450 -13.847 626 1HG2 THR 78 1HG2 THR 78 25.215 -0.656 -15.435 627 2HG2 THR 78 2HG2 THR 78 24.658 -0.236 -17.054 628 3HG2 THR 78 3HG2 THR 78 23.903 -1.571 -16.185 629 H ASN 79 H ASN 79 22.369 3.493 -16.373 630 HA ASN 79 HA ASN 79 22.228 4.762 -18.249 631 1HB ASN 79 1HB ASN 79 25.155 4.082 -18.421 632 2HB ASN 79 2HB ASN 79 24.354 5.019 -19.674 633 1HD2 ASN 79 2HD2 ASN 79 22.591 6.402 -17.834 634 2HD2 ASN 79 1HD2 ASN 79 23.576 7.542 -16.988 635 H GLU 80 H GLU 80 21.928 1.715 -18.233 636 HA GLU 80 HA GLU 80 22.253 1.302 -21.127 637 1HB GLU 80 1HB GLU 80 22.263 -1.067 -20.729 638 2HB GLU 80 2HB GLU 80 23.439 -0.318 -19.658 639 1HG GLU 80 1HG GLU 80 22.032 -0.580 -17.779 640 2HG GLU 80 2HG GLU 80 20.652 -1.013 -18.788 641 H VAL 81 H VAL 81 20.576 -0.071 -22.155 642 HA VAL 81 HA VAL 81 17.929 0.807 -21.278 643 HB VAL 81 HB VAL 81 18.702 -0.616 -23.834 644 1HG1 VAL 81 1HG1 VAL 81 16.545 0.208 -24.656 645 2HG1 VAL 81 2HG1 VAL 81 16.206 0.888 -23.065 646 3HG1 VAL 81 3HG1 VAL 81 16.350 -0.860 -23.267 647 1HG2 VAL 81 1HG2 VAL 81 18.550 1.601 -24.895 648 2HG2 VAL 81 2HG2 VAL 81 19.848 1.516 -23.704 649 3HG2 VAL 81 3HG2 VAL 81 18.336 2.327 -23.302 650 H ILE 82 H ILE 82 17.087 -0.525 -19.790 651 HA ILE 82 HA ILE 82 17.862 -3.322 -19.752 652 HB ILE 82 HB ILE 82 16.494 -3.347 -17.608 653 1HG1 ILE 82 1HG1 ILE 82 16.623 -0.345 -17.976 654 2HG1 ILE 82 2HG1 ILE 82 15.164 -1.301 -18.171 655 1HG2 ILE 82 1HG2 ILE 82 18.272 -2.242 -16.342 656 2HG2 ILE 82 2HG2 ILE 82 18.841 -1.468 -17.819 657 3HG2 ILE 82 3HG2 ILE 82 18.927 -3.221 -17.655 658 1HD1 ILE 82 1HD1 ILE 82 15.305 -1.985 -15.832 659 2HD1 ILE 82 2HD1 ILE 82 15.218 -0.231 -16.004 660 3HD1 ILE 82 3HD1 ILE 82 16.759 -1.007 -15.645 661 H ARG 83 H ARG 83 15.355 -1.580 -21.117 662 HA ARG 83 HA ARG 83 14.040 -3.965 -21.954 663 1HB ARG 83 1HB ARG 83 13.079 -3.421 -19.621 664 2HB ARG 83 2HB ARG 83 12.297 -2.058 -20.409 665 1HG ARG 83 1HG ARG 83 10.687 -3.749 -20.404 666 2HG ARG 83 2HG ARG 83 11.346 -3.765 -22.045 667 1HD ARG 83 1HD ARG 83 12.908 -5.562 -21.282 668 2HD ARG 83 2HD ARG 83 11.997 -5.633 -19.783 669 HE ARG 83 HE ARG 83 10.760 -6.143 -22.413 670 1HH1 ARG 83 1HH1 ARG 83 11.272 -7.015 -19.062 671 2HH1 ARG 83 2HH1 ARG 83 10.184 -8.374 -19.118 672 1HH2 ARG 83 1HH2 ARG 83 9.352 -7.953 -22.489 673 2HH2 ARG 83 2HH2 ARG 83 9.124 -8.921 -21.064 674 H GLU 84 H GLU 84 12.768 -3.591 -23.789 675 HA GLU 84 HA GLU 84 12.297 -0.784 -24.515 676 1HB GLU 84 1HB GLU 84 13.245 -2.971 -26.379 677 2HB GLU 84 2HB GLU 84 12.729 -1.370 -26.892 678 1HG GLU 84 1HG GLU 84 14.539 -0.390 -25.528 679 2HG GLU 84 2HG GLU 84 15.081 -2.018 -25.132 680 H ILE 85 H ILE 85 10.251 -0.343 -24.969 681 HA ILE 85 HA ILE 85 8.419 -2.623 -25.333 682 HB ILE 85 HB ILE 85 7.911 0.064 -24.039 683 1HG1 ILE 85 1HG1 ILE 85 7.131 -1.531 -22.150 684 2HG1 ILE 85 2HG1 ILE 85 8.029 -2.767 -23.020 685 1HG2 ILE 85 1HG2 ILE 85 5.996 -0.539 -25.408 686 2HG2 ILE 85 2HG2 ILE 85 5.606 -0.661 -23.693 687 3HG2 ILE 85 3HG2 ILE 85 5.921 -2.121 -24.633 688 1HD1 ILE 85 1HD1 ILE 85 9.169 -0.210 -21.923 689 2HD1 ILE 85 2HD1 ILE 85 10.068 -1.464 -22.778 690 3HD1 ILE 85 3HD1 ILE 85 9.335 -1.817 -21.213 691 HA PRO 86 HA PRO 86 7.585 -0.606 -29.272 692 1HB PRO 86 1HB PRO 86 6.229 -2.658 -30.365 693 2HB PRO 86 2HB PRO 86 7.992 -2.681 -30.222 694 1HG PRO 86 1HG PRO 86 5.931 -4.013 -28.507 695 2HG PRO 86 2HG PRO 86 7.484 -4.642 -29.086 696 1HD PRO 86 1HD PRO 86 7.086 -3.626 -26.568 697 2HD PRO 86 2HD PRO 86 8.656 -3.648 -27.393 698 HA PRO 87 HA PRO 87 3.607 1.103 -28.338 699 1HB PRO 87 1HB PRO 87 3.278 1.354 -31.273 700 2HB PRO 87 2HB PRO 87 3.207 2.597 -30.019 701 1HG PRO 87 1HG PRO 87 5.320 2.428 -31.625 702 2HG PRO 87 2HG PRO 87 5.517 2.798 -29.900 703 1HD PRO 87 1HD PRO 87 5.949 0.208 -31.343 704 2HD PRO 87 2HD PRO 87 6.928 0.962 -30.067 705 H LYS 88 H LYS 88 3.981 -1.547 -30.530 706 HA LYS 88 HA LYS 88 1.169 -2.073 -30.816 707 1HB LYS 88 1HB LYS 88 1.932 -4.156 -31.934 708 2HB LYS 88 2HB LYS 88 2.635 -2.699 -32.620 709 1HG LYS 88 1HG LYS 88 4.623 -3.197 -31.046 710 2HG LYS 88 2HG LYS 88 3.933 -4.818 -30.957 711 1HD LYS 88 1HD LYS 88 4.784 -3.369 -33.465 712 2HD LYS 88 2HD LYS 88 5.632 -4.708 -32.691 713 1HE LYS 88 1HE LYS 88 3.758 -6.183 -33.131 714 2HE LYS 88 2HE LYS 88 2.844 -4.850 -33.837 715 1HZ LYS 88 1HZ LYS 88 4.559 -4.661 -35.554 716 2HZ LYS 88 2HZ LYS 88 3.833 -6.192 -35.562 717 3HZ LYS 88 3HZ LYS 88 5.378 -5.993 -34.899 718 H ARG 89 H ARG 89 3.224 -2.385 -28.291 719 HA ARG 89 HA ARG 89 1.434 -4.322 -27.002 720 1HB ARG 89 1HB ARG 89 4.421 -4.167 -26.535 721 2HB ARG 89 2HB ARG 89 3.300 -5.278 -25.757 722 1HG ARG 89 1HG ARG 89 2.834 -6.282 -27.976 723 2HG ARG 89 2HG ARG 89 4.072 -5.231 -28.669 724 1HD ARG 89 1HD ARG 89 5.679 -6.222 -27.023 725 2HD ARG 89 2HD ARG 89 4.430 -7.393 -26.605 726 HE ARG 89 HE ARG 89 5.075 -7.231 -29.429 727 1HH1 ARG 89 1HH1 ARG 89 5.727 -8.821 -26.378 728 2HH1 ARG 89 2HH1 ARG 89 6.384 -10.252 -27.106 729 1HH2 ARG 89 1HH2 ARG 89 5.947 -9.085 -30.404 730 2HH2 ARG 89 2HH2 ARG 89 6.503 -10.410 -29.424 731 H TRP 90 H TRP 90 1.686 -1.368 -27.212 732 HA TRP 90 HA TRP 90 2.916 -0.347 -24.861 733 1HB TRP 90 1HB TRP 90 2.774 1.034 -26.819 734 2HB TRP 90 2HB TRP 90 1.022 0.895 -26.858 735 HD1 TRP 90 HD1 TRP 90 -0.231 2.869 -25.832 736 HE1 TRP 90 HE1 TRP 90 0.345 4.776 -24.209 737 HE3 TRP 90 HE3 TRP 90 4.533 1.476 -24.611 738 HZ2 TRP 90 HZ2 TRP 90 2.539 5.581 -22.606 739 HZ3 TRP 90 HZ3 TRP 90 5.800 2.863 -23.021 740 HH2 TRP 90 HH2 TRP 90 4.821 4.873 -22.042 741 H LEU 91 H LEU 91 -0.431 -1.123 -25.728 742 HA LEU 91 HA LEU 91 -1.582 0.156 -23.464 743 1HB LEU 91 1HB LEU 91 -2.649 -2.010 -25.277 744 2HB LEU 91 2HB LEU 91 -3.584 -1.285 -23.984 745 HG LEU 91 HG LEU 91 -3.102 0.961 -25.172 746 1HD1 LEU 91 1HD1 LEU 91 -1.404 0.152 -26.717 747 2HD1 LEU 91 2HD1 LEU 91 -2.801 0.788 -27.585 748 3HD1 LEU 91 3HD1 LEU 91 -2.575 -0.954 -27.436 749 1HD2 LEU 91 1HD2 LEU 91 -4.907 -1.082 -26.442 750 2HD2 LEU 91 2HD2 LEU 91 -5.041 0.671 -26.595 751 3HD2 LEU 91 3HD2 LEU 91 -5.288 -0.099 -25.028 752 H ASP 92 H ASP 92 -0.386 -3.052 -24.131 753 HA ASP 92 HA ASP 92 -1.256 -4.354 -21.796 754 1HB ASP 92 1HB ASP 92 1.333 -4.868 -23.282 755 2HB ASP 92 2HB ASP 92 0.429 -6.012 -22.295 756 H PHE 93 H PHE 93 1.638 -2.476 -22.539 757 HA PHE 93 HA PHE 93 2.882 -2.828 -20.004 758 1HB PHE 93 1HB PHE 93 4.186 -2.223 -21.971 759 2HB PHE 93 2HB PHE 93 3.290 -0.717 -22.134 760 HD1 PHE 93 HD1 PHE 93 5.487 -2.558 -19.755 761 HD2 PHE 93 HD2 PHE 93 4.114 1.219 -21.168 762 HE1 PHE 93 HE1 PHE 93 7.149 -1.427 -18.338 763 HE2 PHE 93 HE2 PHE 93 5.775 2.356 -19.750 764 HZ PHE 93 HZ PHE 93 7.295 1.030 -18.333 765 H TYR 94 H TYR 94 0.917 -0.233 -21.425 766 HA TYR 94 HA TYR 94 1.094 1.564 -19.284 767 1HB TYR 94 1HB TYR 94 0.245 2.155 -21.538 768 2HB TYR 94 2HB TYR 94 -1.213 1.224 -21.214 769 HD1 TYR 94 HD1 TYR 94 -3.075 2.399 -20.504 770 HD2 TYR 94 HD2 TYR 94 0.781 3.974 -19.642 771 HE1 TYR 94 HE1 TYR 94 -4.119 4.376 -19.480 772 HE2 TYR 94 HE2 TYR 94 -0.254 5.960 -18.624 773 HH TYR 94 HH TYR 94 -2.291 7.180 -18.580 774 H ALA 95 H ALA 95 -1.157 -1.089 -19.905 775 HA ALA 95 HA ALA 95 -2.909 -0.640 -17.774 776 1HB ALA 95 1HB ALA 95 -2.073 -3.266 -18.995 777 2HB ALA 95 2HB ALA 95 -3.380 -2.226 -19.559 778 3HB ALA 95 3HB ALA 95 -3.493 -3.006 -17.981 779 H ALA 96 H ALA 96 -0.009 -2.708 -17.921 780 HA ALA 96 HA ALA 96 -0.033 -3.672 -15.321 781 1HB ALA 96 1HB ALA 96 2.393 -2.981 -16.977 782 2HB ALA 96 2HB ALA 96 1.471 -4.479 -17.088 783 3HB ALA 96 3HB ALA 96 2.346 -4.090 -15.606 784 H MET 97 H MET 97 1.260 -0.636 -16.567 785 HA MET 97 HA MET 97 2.490 0.212 -14.177 786 1HB MET 97 1HB MET 97 1.440 1.748 -16.551 787 2HB MET 97 2HB MET 97 2.243 2.529 -15.194 788 1HG MET 97 1HG MET 97 3.517 0.319 -16.775 789 2HG MET 97 2HG MET 97 3.665 2.016 -17.213 790 1HE MET 97 1HE MET 97 5.715 3.546 -14.343 791 2HE MET 97 2HE MET 97 3.964 3.583 -14.559 792 3HE MET 97 3HE MET 97 5.032 3.775 -15.951 793 H THR 98 H THR 98 -0.768 0.849 -15.493 794 HA THR 98 HA THR 98 -1.517 2.498 -13.295 795 HB THR 98 HB THR 98 -3.862 2.155 -14.127 796 HG1 THR 98 HG1 THR 98 -2.662 0.104 -15.432 797 1HG2 THR 98 1HG2 THR 98 -3.502 3.361 -16.237 798 2HG2 THR 98 2HG2 THR 98 -1.790 2.939 -16.177 799 3HG2 THR 98 3HG2 THR 98 -2.483 3.993 -14.944 800 H GLU 99 H GLU 99 -1.519 -0.939 -13.785 801 HA GLU 99 HA GLU 99 -3.269 -1.516 -11.598 802 1HB GLU 99 1HB GLU 99 -1.258 -3.275 -13.007 803 2HB GLU 99 2HB GLU 99 -2.467 -3.838 -11.859 804 1HG GLU 99 1HG GLU 99 -4.238 -3.047 -13.359 805 2HG GLU 99 2HG GLU 99 -3.012 -2.520 -14.511 806 H PHE 100 H PHE 100 0.274 -1.554 -12.014 807 HA PHE 100 HA PHE 100 0.694 -2.230 -9.245 808 1HB PHE 100 1HB PHE 100 2.273 -3.010 -10.943 809 2HB PHE 100 2HB PHE 100 2.669 -1.344 -11.360 810 HD1 PHE 100 HD1 PHE 100 4.397 -0.241 -10.267 811 HD2 PHE 100 HD2 PHE 100 2.745 -3.757 -8.529 812 HE1 PHE 100 HE1 PHE 100 6.158 -0.217 -8.549 813 HE2 PHE 100 HE2 PHE 100 4.503 -3.741 -6.812 814 HZ PHE 100 HZ PHE 100 6.213 -1.967 -6.820 815 H LEU 101 H LEU 101 1.456 0.671 -11.209 816 HA LEU 101 HA LEU 101 2.353 2.163 -8.966 817 1HB LEU 101 1HB LEU 101 1.500 3.032 -11.730 818 2HB LEU 101 2HB LEU 101 2.068 4.155 -10.517 819 HG LEU 101 HG LEU 101 3.866 3.708 -12.016 820 1HD1 LEU 101 1HD1 LEU 101 4.262 2.187 -9.461 821 2HD1 LEU 101 2HD1 LEU 101 4.521 3.913 -9.719 822 3HD1 LEU 101 3HD1 LEU 101 5.547 2.733 -10.538 823 1HD2 LEU 101 1HD2 LEU 101 3.468 0.782 -11.447 824 2HD2 LEU 101 2HD2 LEU 101 4.752 1.491 -12.429 825 3HD2 LEU 101 3HD2 LEU 101 3.073 1.610 -12.953 826 H GLY 102 H GLY 102 -0.765 1.548 -10.353 827 1HA GLY 102 1HA GLY 102 -2.121 3.743 -9.121 828 2HA GLY 102 2HA GLY 102 -2.875 2.326 -9.806 829 H LEU 103 H LEU 103 -0.784 0.937 -7.858 830 HA LEU 103 HA LEU 103 -2.597 0.891 -5.568 831 1HB LEU 103 1HB LEU 103 -0.133 -0.742 -6.190 832 2HB LEU 103 2HB LEU 103 -1.105 -0.932 -4.744 833 HG LEU 103 HG LEU 103 -2.064 -1.411 -7.570 834 1HD1 LEU 103 1HD1 LEU 103 -0.453 -3.085 -6.797 835 2HD1 LEU 103 2HD1 LEU 103 -2.073 -3.761 -6.953 836 3HD1 LEU 103 3HD1 LEU 103 -1.436 -3.361 -5.358 837 1HD2 LEU 103 1HD2 LEU 103 -3.441 -1.893 -4.928 838 2HD2 LEU 103 2HD2 LEU 103 -4.073 -2.301 -6.521 839 3HD2 LEU 103 3HD2 LEU 103 -3.838 -0.613 -6.075 840 H PHE 104 H PHE 104 0.348 2.281 -6.576 841 HA PHE 104 HA PHE 104 1.164 2.940 -3.830 842 1HB PHE 104 1HB PHE 104 2.645 2.949 -6.465 843 2HB PHE 104 2HB PHE 104 3.291 3.729 -5.027 844 HD1 PHE 104 HD1 PHE 104 4.680 2.526 -3.658 845 HD2 PHE 104 HD2 PHE 104 1.915 0.435 -6.123 846 HE1 PHE 104 HE1 PHE 104 5.649 0.391 -2.922 847 HE2 PHE 104 HE2 PHE 104 2.877 -1.709 -5.386 848 HZ PHE 104 HZ PHE 104 4.745 -1.734 -3.783 849 H VAL 105 H VAL 105 -0.940 4.163 -5.728 850 HA VAL 105 HA VAL 105 -0.048 6.738 -6.466 851 HB VAL 105 HB VAL 105 -2.537 7.246 -6.616 852 1HG1 VAL 105 1HG1 VAL 105 -2.826 5.742 -8.575 853 2HG1 VAL 105 2HG1 VAL 105 -1.321 4.945 -8.104 854 3HG1 VAL 105 3HG1 VAL 105 -1.313 6.647 -8.559 855 1HG2 VAL 105 1HG2 VAL 105 -3.291 5.637 -4.944 856 2HG2 VAL 105 2HG2 VAL 105 -2.726 4.312 -5.964 857 3HG2 VAL 105 3HG2 VAL 105 -4.050 5.340 -6.507 858 H ASP 106 H ASP 106 -1.137 8.735 -5.701 859 HA ASP 106 HA ASP 106 -0.916 8.856 -2.769 860 1HB ASP 106 1HB ASP 106 0.855 10.033 -3.972 861 2HB ASP 106 2HB ASP 106 -0.333 10.919 -4.914 862 H GLU 107 H GLU 107 -3.292 8.519 -4.776 863 HA GLU 107 HA GLU 107 -5.474 9.146 -4.980 864 1HB GLU 107 1HB GLU 107 -5.388 9.365 -2.463 865 2HB GLU 107 2HB GLU 107 -4.996 11.063 -2.680 866 1HG GLU 107 1HG GLU 107 -7.288 10.991 -2.216 867 2HG GLU 107 2HG GLU 107 -7.171 11.267 -3.953 868 H LYS 108 H LYS 108 -6.784 11.021 -5.735 869 HA LYS 108 HA LYS 108 -7.101 12.789 -7.115 870 1HB LYS 108 1HB LYS 108 -4.510 13.713 -5.895 871 2HB LYS 108 2HB LYS 108 -5.359 14.646 -7.119 872 1HG LYS 108 1HG LYS 108 -7.358 14.635 -5.602 873 2HG LYS 108 2HG LYS 108 -6.318 13.928 -4.360 874 1HD LYS 108 1HD LYS 108 -4.887 15.840 -4.367 875 2HD LYS 108 2HD LYS 108 -5.689 16.507 -5.789 876 1HE LYS 108 1HE LYS 108 -7.796 16.614 -4.402 877 2HE LYS 108 2HE LYS 108 -6.794 16.225 -3.004 878 1HZ LYS 108 1HZ LYS 108 -6.354 18.556 -4.786 879 2HZ LYS 108 2HZ LYS 108 -5.524 18.212 -3.349 880 3HZ LYS 108 3HZ LYS 108 -7.167 18.628 -3.302 881 H LYS 109 H LYS 109 -3.988 11.203 -7.334 882 HA LYS 109 HA LYS 109 -3.847 11.818 -10.205 883 1HB LYS 109 1HB LYS 109 -1.767 10.563 -8.397 884 2HB LYS 109 2HB LYS 109 -1.521 11.068 -10.064 885 1HG LYS 109 1HG LYS 109 -0.928 13.083 -9.365 886 2HG LYS 109 2HG LYS 109 -2.513 13.298 -8.618 887 1HD LYS 109 1HD LYS 109 -1.689 12.140 -6.601 888 2HD LYS 109 2HD LYS 109 -0.094 12.012 -7.348 889 1HE LYS 109 1HE LYS 109 -0.028 14.485 -7.509 890 2HE LYS 109 2HE LYS 109 -1.561 14.551 -6.643 891 1HZ LYS 109 1HZ LYS 109 0.971 13.405 -5.593 892 2HZ LYS 109 2HZ LYS 109 -0.495 13.486 -4.745 893 3HZ LYS 109 3HZ LYS 109 0.324 14.910 -5.171 894 H LEU 110 H LEU 110 -5.768 9.953 -9.165 895 HA LEU 110 HA LEU 110 -4.756 7.462 -10.309 896 1HB LEU 110 1HB LEU 110 -6.579 6.519 -8.536 897 2HB LEU 110 2HB LEU 110 -4.850 6.535 -8.293 898 HG LEU 110 HG LEU 110 -5.037 8.607 -7.003 899 1HD1 LEU 110 1HD1 LEU 110 -7.502 9.122 -6.298 900 2HD1 LEU 110 2HD1 LEU 110 -7.869 8.424 -7.877 901 3HD1 LEU 110 3HD1 LEU 110 -6.817 9.828 -7.757 902 1HD2 LEU 110 1HD2 LEU 110 -6.925 6.433 -6.106 903 2HD2 LEU 110 2HD2 LEU 110 -6.225 7.677 -5.069 904 3HD2 LEU 110 3HD2 LEU 110 -5.182 6.479 -5.839 905 H GLU 111 H GLU 111 -7.523 9.493 -9.755 906 HA GLU 111 HA GLU 111 -9.609 9.586 -10.666 907 1HB GLU 111 1HB GLU 111 -8.220 8.432 -13.089 908 2HB GLU 111 2HB GLU 111 -9.700 9.383 -13.078 909 1HG GLU 111 1HG GLU 111 -6.927 10.310 -12.393 910 2HG GLU 111 2HG GLU 111 -7.898 10.773 -13.788 911 H HIS 112 H HIS 112 -9.051 7.248 -9.209 912 HA HIS 112 HA HIS 112 -9.779 4.870 -10.531 913 1HB HIS 112 1HB HIS 112 -10.099 3.931 -8.229 914 2HB HIS 112 2HB HIS 112 -8.538 4.699 -8.476 915 HD1 HIS 112 HD1 HIS 112 -10.304 4.246 -5.727 916 HD2 HIS 112 HD2 HIS 112 -9.457 7.754 -7.768 917 HE1 HIS 112 HE1 HIS 112 -10.540 6.085 -4.024 918 H HIS 113 H HIS 113 -11.665 4.704 -11.561 919 HA HIS 113 HA HIS 113 -14.122 5.686 -10.377 920 1HB HIS 113 1HB HIS 113 -15.171 5.153 -12.404 921 2HB HIS 113 2HB HIS 113 -13.538 5.545 -12.922 922 HD1 HIS 113 HD1 HIS 113 -16.059 2.894 -13.010 923 HD2 HIS 113 HD2 HIS 113 -11.943 3.163 -13.535 924 HE1 HIS 113 HE1 HIS 113 -15.383 0.767 -14.160 925 H HIS 114 H HIS 114 -12.200 2.957 -10.184 926 HA HIS 114 HA HIS 114 -14.169 1.374 -8.796 927 1HB HIS 114 1HB HIS 114 -14.589 0.875 -11.203 928 2HB HIS 114 2HB HIS 114 -12.915 0.369 -11.369 929 HD1 HIS 114 HD1 HIS 114 -16.167 -0.678 -9.807 930 HD2 HIS 114 HD2 HIS 114 -12.390 -2.227 -10.586 931 HE1 HIS 114 HE1 HIS 114 -16.335 -3.143 -9.333 932 H HIS 115 H HIS 115 -13.171 -0.096 -7.410 933 HA HIS 115 HA HIS 115 -10.263 0.118 -7.250 934 1HB HIS 115 1HB HIS 115 -11.621 0.412 -5.200 935 2HB HIS 115 2HB HIS 115 -12.200 -1.243 -5.364 936 HD1 HIS 115 HD1 HIS 115 -10.950 -2.888 -4.008 937 HD2 HIS 115 HD2 HIS 115 -8.606 0.412 -4.979 938 HE1 HIS 115 HE1 HIS 115 -8.737 -3.266 -2.879 939 H HIS 116 H HIS 116 -9.306 -1.183 -8.678 940 HA HIS 116 HA HIS 116 -10.219 -3.952 -8.940 941 1HB HIS 116 1HB HIS 116 -8.828 -4.081 -10.930 942 2HB HIS 116 2HB HIS 116 -9.848 -2.652 -11.031 943 HD1 HIS 116 HD1 HIS 116 -6.247 -3.692 -10.550 944 HD2 HIS 116 HD2 HIS 116 -8.489 -0.226 -11.117 945 HE1 HIS 116 HE1 HIS 116 -4.581 -1.867 -10.989 946 H HIS 117 H HIS 117 -8.350 -5.547 -9.287 947 HA HIS 117 HA HIS 117 -6.002 -4.844 -7.658 948 1HB HIS 117 1HB HIS 117 -7.360 -6.556 -6.490 949 2HB HIS 117 2HB HIS 117 -7.270 -7.593 -7.910 950 HD1 HIS 117 HD1 HIS 117 -5.039 -6.110 -5.240 951 HD2 HIS 117 HD2 HIS 117 -5.039 -9.188 -8.028 952 HE1 HIS 117 HE1 HIS 117 -2.964 -7.446 -4.764 Start of MODEL 8 1 HA LEU 1 HA LEU 1 4.363 1.529 0.690 2 1HB LEU 1 1HB LEU 1 1.794 1.448 0.851 3 2HB LEU 1 2HB LEU 1 1.825 3.054 0.149 4 HG LEU 1 HG LEU 1 3.034 2.117 -1.819 5 1HD1 LEU 1 1HD1 LEU 1 2.993 -0.335 -2.118 6 2HD1 LEU 1 2HD1 LEU 1 2.461 -0.504 -0.444 7 3HD1 LEU 1 3HD1 LEU 1 4.048 0.179 -0.800 8 1HD2 LEU 1 1HD2 LEU 1 0.379 0.837 -1.179 9 2HD2 LEU 1 2HD2 LEU 1 1.082 1.016 -2.787 10 3HD2 LEU 1 3HD2 LEU 1 0.616 2.445 -1.864 11 H ASN 2 H ASN 2 5.941 2.579 -0.373 12 HA ASN 2 HA ASN 2 5.614 5.478 -0.773 13 1HB ASN 2 1HB ASN 2 8.073 4.077 0.286 14 2HB ASN 2 2HB ASN 2 8.047 5.752 -0.251 15 1HD2 ASN 2 2HD2 ASN 2 7.000 7.293 0.985 16 2HD2 ASN 2 1HD2 ASN 2 6.514 6.996 2.618 17 H ILE 3 H ILE 3 5.763 5.984 -2.823 18 HA ILE 3 HA ILE 3 6.949 4.327 -4.811 19 HB ILE 3 HB ILE 3 5.152 5.924 -5.348 20 1HG1 ILE 3 1HG1 ILE 3 6.176 6.957 -7.375 21 2HG1 ILE 3 2HG1 ILE 3 7.761 6.478 -6.779 22 1HG2 ILE 3 1HG2 ILE 3 7.200 8.052 -4.749 23 2HG2 ILE 3 2HG2 ILE 3 5.728 7.720 -3.838 24 3HG2 ILE 3 3HG2 ILE 3 5.623 8.334 -5.488 25 1HD1 ILE 3 1HD1 ILE 3 5.500 4.625 -7.492 26 2HD1 ILE 3 2HD1 ILE 3 7.081 4.132 -6.884 27 3HD1 ILE 3 3HD1 ILE 3 6.948 4.927 -8.452 28 H GLU 4 H GLU 4 8.065 6.685 -2.618 29 HA GLU 4 HA GLU 4 10.394 7.592 -3.939 30 1HB GLU 4 1HB GLU 4 9.816 7.444 -0.979 31 2HB GLU 4 2HB GLU 4 11.028 8.455 -1.752 32 1HG GLU 4 1HG GLU 4 9.381 9.814 -2.767 33 2HG GLU 4 2HG GLU 4 8.094 8.687 -2.343 34 H ARG 5 H ARG 5 9.660 4.563 -2.618 35 HA ARG 5 HA ARG 5 12.525 3.981 -2.220 36 1HB ARG 5 1HB ARG 5 10.297 2.585 -0.739 37 2HB ARG 5 2HB ARG 5 12.026 2.483 -0.445 38 1HG ARG 5 1HG ARG 5 12.065 4.750 0.379 39 2HG ARG 5 2HG ARG 5 10.351 4.940 -0.002 40 1HD ARG 5 1HD ARG 5 9.798 3.166 1.591 41 2HD ARG 5 2HD ARG 5 11.511 2.961 1.958 42 HE ARG 5 HE ARG 5 10.991 5.609 2.453 43 1HH1 ARG 5 1HH1 ARG 5 9.676 2.565 3.598 44 2HH1 ARG 5 2HH1 ARG 5 9.300 3.184 5.175 45 1HH2 ARG 5 1HH2 ARG 5 10.462 6.420 4.546 46 2HH2 ARG 5 2HH2 ARG 5 9.732 5.345 5.708 47 H LEU 6 H LEU 6 10.337 3.656 -4.383 48 HA LEU 6 HA LEU 6 9.759 0.960 -4.756 49 1HB LEU 6 1HB LEU 6 8.724 2.852 -5.986 50 2HB LEU 6 2HB LEU 6 10.218 3.052 -6.885 51 HG LEU 6 HG LEU 6 9.925 0.705 -7.708 52 1HD1 LEU 6 1HD1 LEU 6 8.410 -0.092 -5.985 53 2HD1 LEU 6 2HD1 LEU 6 7.695 -0.277 -7.585 54 3HD1 LEU 6 3HD1 LEU 6 7.174 1.040 -6.533 55 1HD2 LEU 6 1HD2 LEU 6 7.777 2.697 -8.399 56 2HD2 LEU 6 2HD2 LEU 6 8.250 1.311 -9.382 57 3HD2 LEU 6 3HD2 LEU 6 9.395 2.621 -9.095 58 H THR 7 H THR 7 12.030 2.678 -6.866 59 HA THR 7 HA THR 7 14.174 2.310 -7.491 60 HB THR 7 HB THR 7 14.431 0.150 -5.435 61 HG1 THR 7 HG1 THR 7 14.938 1.864 -3.947 62 1HG2 THR 7 1HG2 THR 7 16.723 0.983 -5.272 63 2HG2 THR 7 2HG2 THR 7 16.356 2.232 -6.462 64 3HG2 THR 7 3HG2 THR 7 16.337 0.533 -6.935 65 H THR 8 H THR 8 11.830 -0.154 -7.592 66 HA THR 8 HA THR 8 13.260 -1.426 -9.785 67 HB THR 8 HB THR 8 13.916 -2.826 -7.922 68 HG1 THR 8 HG1 THR 8 13.131 -3.812 -9.993 69 1HG2 THR 8 1HG2 THR 8 12.155 -2.268 -6.337 70 2HG2 THR 8 2HG2 THR 8 12.259 -4.017 -6.543 71 3HG2 THR 8 3HG2 THR 8 10.968 -3.110 -7.333 72 H LEU 9 H LEU 9 11.930 -2.413 -11.303 73 HA LEU 9 HA LEU 9 9.040 -1.958 -10.934 74 1HB LEU 9 1HB LEU 9 10.684 -2.038 -13.469 75 2HB LEU 9 2HB LEU 9 8.935 -1.925 -13.426 76 HG LEU 9 HG LEU 9 10.856 0.140 -12.353 77 1HD1 LEU 9 1HD1 LEU 9 10.837 0.026 -14.792 78 2HD1 LEU 9 2HD1 LEU 9 10.074 1.508 -14.215 79 3HD1 LEU 9 3HD1 LEU 9 9.079 0.170 -14.788 80 1HD2 LEU 9 1HD2 LEU 9 8.791 0.071 -11.062 81 2HD2 LEU 9 2HD2 LEU 9 7.843 0.158 -12.547 82 3HD2 LEU 9 3HD2 LEU 9 8.847 1.524 -12.059 83 H GLN 10 H GLN 10 10.661 -4.272 -10.105 84 HA GLN 10 HA GLN 10 10.611 -6.406 -11.846 85 1HB GLN 10 1HB GLN 10 11.741 -6.363 -9.628 86 2HB GLN 10 2HB GLN 10 10.177 -6.605 -8.866 87 1HG GLN 10 1HG GLN 10 11.503 -8.673 -9.074 88 2HG GLN 10 2HG GLN 10 9.942 -8.759 -9.888 89 1HE2 GLN 10 2HE2 GLN 10 9.857 -8.934 -12.090 90 2HE2 GLN 10 1HE2 GLN 10 11.259 -9.194 -13.082 91 HA PRO 11 HA PRO 11 6.194 -7.717 -10.187 92 1HB PRO 11 1HB PRO 11 5.084 -5.054 -9.500 93 2HB PRO 11 2HB PRO 11 4.877 -6.606 -8.682 94 1HG PRO 11 1HG PRO 11 6.419 -4.702 -7.634 95 2HG PRO 11 2HG PRO 11 6.876 -6.412 -7.526 96 1HD PRO 11 1HD PRO 11 7.912 -4.283 -9.357 97 2HD PRO 11 2HD PRO 11 8.795 -5.572 -8.519 98 H VAL 12 H VAL 12 6.871 -4.667 -11.772 99 HA VAL 12 HA VAL 12 4.553 -4.676 -13.450 100 HB VAL 12 HB VAL 12 7.175 -3.224 -13.862 101 1HG1 VAL 12 1HG1 VAL 12 4.441 -2.728 -15.035 102 2HG1 VAL 12 2HG1 VAL 12 5.849 -3.351 -15.895 103 3HG1 VAL 12 3HG1 VAL 12 5.859 -1.703 -15.264 104 1HG2 VAL 12 1HG2 VAL 12 6.077 -1.299 -12.846 105 2HG2 VAL 12 2HG2 VAL 12 6.173 -2.653 -11.720 106 3HG2 VAL 12 3HG2 VAL 12 4.647 -2.281 -12.524 107 H TRP 13 H TRP 13 7.953 -5.585 -13.833 108 HA TRP 13 HA TRP 13 7.786 -6.370 -16.536 109 1HB TRP 13 1HB TRP 13 9.692 -7.184 -14.339 110 2HB TRP 13 2HB TRP 13 9.883 -7.664 -16.020 111 HD1 TRP 13 HD1 TRP 13 11.581 -5.473 -13.959 112 HE1 TRP 13 HE1 TRP 13 12.338 -3.299 -15.110 113 HE3 TRP 13 HE3 TRP 13 8.472 -5.575 -18.019 114 HZ2 TRP 13 HZ2 TRP 13 11.708 -1.831 -17.431 115 HZ3 TRP 13 HZ3 TRP 13 8.611 -3.740 -19.652 116 HH2 TRP 13 HH2 TRP 13 10.195 -1.907 -19.358 117 H ASP 14 H ASP 14 7.484 -8.226 -13.518 118 HA ASP 14 HA ASP 14 7.116 -10.760 -14.624 119 1HB ASP 14 1HB ASP 14 6.106 -9.502 -12.087 120 2HB ASP 14 2HB ASP 14 5.647 -11.142 -12.525 121 H ARG 15 H ARG 15 4.745 -8.225 -13.945 122 HA ARG 15 HA ARG 15 2.499 -9.724 -14.815 123 1HB ARG 15 1HB ARG 15 2.413 -7.747 -13.287 124 2HB ARG 15 2HB ARG 15 2.798 -6.720 -14.659 125 1HG ARG 15 1HG ARG 15 0.738 -7.210 -15.718 126 2HG ARG 15 2HG ARG 15 0.383 -8.505 -14.570 127 1HD ARG 15 1HD ARG 15 0.320 -6.825 -12.755 128 2HD ARG 15 2HD ARG 15 0.568 -5.558 -13.953 129 HE ARG 15 HE ARG 15 -1.642 -5.735 -14.578 130 1HH1 ARG 15 1HH1 ARG 15 -0.794 -8.479 -12.543 131 2HH1 ARG 15 2HH1 ARG 15 -2.445 -8.986 -12.328 132 1HH2 ARG 15 1HH2 ARG 15 -3.796 -6.359 -14.239 133 2HH2 ARG 15 2HH2 ARG 15 -4.152 -7.775 -13.295 134 H TYR 16 H TYR 16 4.650 -7.401 -16.369 135 HA TYR 16 HA TYR 16 3.297 -7.042 -18.781 136 1HB TYR 16 1HB TYR 16 5.258 -5.725 -17.964 137 2HB TYR 16 2HB TYR 16 6.294 -7.088 -18.363 138 HD1 TYR 16 HD1 TYR 16 3.513 -5.404 -20.215 139 HD2 TYR 16 HD2 TYR 16 7.617 -6.525 -20.157 140 HE1 TYR 16 HE1 TYR 16 3.790 -4.495 -22.483 141 HE2 TYR 16 HE2 TYR 16 7.901 -5.625 -22.425 142 HH TYR 16 HH TYR 16 5.456 -3.730 -23.968 143 H ASP 17 H ASP 17 5.918 -9.383 -18.087 144 HA ASP 17 HA ASP 17 5.731 -10.563 -20.664 145 1HB ASP 17 1HB ASP 17 7.099 -11.376 -18.125 146 2HB ASP 17 2HB ASP 17 7.052 -12.465 -19.507 147 H THR 18 H THR 18 3.928 -11.074 -17.760 148 HA THR 18 HA THR 18 2.906 -13.641 -18.613 149 HB THR 18 HB THR 18 1.865 -11.776 -16.464 150 HG1 THR 18 HG1 THR 18 3.926 -12.435 -15.898 151 1HG2 THR 18 1HG2 THR 18 0.180 -13.380 -17.183 152 2HG2 THR 18 2HG2 THR 18 0.770 -13.794 -15.573 153 3HG2 THR 18 3HG2 THR 18 1.325 -14.705 -16.977 154 H GLN 19 H GLN 19 1.845 -10.296 -18.570 155 HA GLN 19 HA GLN 19 -0.793 -10.627 -19.439 156 1HB GLN 19 1HB GLN 19 0.145 -8.673 -18.273 157 2HB GLN 19 2HB GLN 19 1.107 -8.311 -19.701 158 1HG GLN 19 1HG GLN 19 -0.832 -7.795 -20.958 159 2HG GLN 19 2HG GLN 19 -1.890 -8.374 -19.671 160 1HE2 GLN 19 2HE2 GLN 19 -2.926 -6.361 -19.502 161 2HE2 GLN 19 1HE2 GLN 19 -2.152 -4.996 -18.778 162 H ILE 20 H ILE 20 2.151 -9.735 -21.154 163 HA ILE 20 HA ILE 20 1.232 -9.295 -23.700 164 HB ILE 20 HB ILE 20 3.781 -10.436 -22.624 165 1HG1 ILE 20 1HG1 ILE 20 3.130 -7.844 -24.026 166 2HG1 ILE 20 2HG1 ILE 20 3.329 -8.054 -22.288 167 1HG2 ILE 20 1HG2 ILE 20 3.183 -9.937 -25.544 168 2HG2 ILE 20 2HG2 ILE 20 3.576 -11.487 -24.798 169 3HG2 ILE 20 3HG2 ILE 20 4.793 -10.212 -24.880 170 1HD1 ILE 20 1HD1 ILE 20 5.656 -8.694 -22.636 171 2HD1 ILE 20 2HD1 ILE 20 5.317 -7.095 -23.298 172 3HD1 ILE 20 3HD1 ILE 20 5.450 -8.486 -24.374 173 H HIS 21 H HIS 21 1.688 -12.366 -22.074 174 HA HIS 21 HA HIS 21 1.424 -13.827 -24.580 175 1HB HIS 21 1HB HIS 21 2.031 -14.753 -21.769 176 2HB HIS 21 2HB HIS 21 1.871 -15.837 -23.149 177 HD1 HIS 21 HD1 HIS 21 4.083 -16.498 -24.004 178 HD2 HIS 21 HD2 HIS 21 4.093 -12.592 -22.561 179 HE1 HIS 21 HE1 HIS 21 6.423 -15.646 -24.372 180 H ASN 22 H ASN 22 -0.611 -12.556 -22.319 181 HA ASN 22 HA ASN 22 -2.584 -14.698 -22.445 182 1HB ASN 22 1HB ASN 22 -2.405 -13.600 -20.307 183 2HB ASN 22 2HB ASN 22 -2.575 -12.014 -21.049 184 1HD2 ASN 22 2HD2 ASN 22 -4.225 -14.909 -20.048 185 2HD2 ASN 22 1HD2 ASN 22 -5.834 -14.266 -20.165 186 H GLN 23 H GLN 23 -2.657 -11.191 -23.040 187 HA GLN 23 HA GLN 23 -3.755 -9.891 -24.531 188 1HB GLN 23 1HB GLN 23 -3.379 -12.310 -26.297 189 2HB GLN 23 2HB GLN 23 -3.894 -10.729 -26.866 190 1HG GLN 23 1HG GLN 23 -1.791 -9.762 -26.127 191 2HG GLN 23 2HG GLN 23 -1.278 -11.334 -25.510 192 1HE2 GLN 23 2HE2 GLN 23 -1.834 -9.404 -28.338 193 2HE2 GLN 23 1HE2 GLN 23 -1.053 -10.457 -29.462 194 H LYS 24 H LYS 24 -5.729 -9.656 -23.535 195 HA LYS 24 HA LYS 24 -7.868 -11.240 -24.781 196 1HB LYS 24 1HB LYS 24 -9.237 -10.906 -22.778 197 2HB LYS 24 2HB LYS 24 -7.757 -11.775 -22.411 198 1HG LYS 24 1HG LYS 24 -6.789 -9.621 -21.595 199 2HG LYS 24 2HG LYS 24 -8.391 -8.900 -21.798 200 1HD LYS 24 1HD LYS 24 -9.315 -10.602 -20.268 201 2HD LYS 24 2HD LYS 24 -7.690 -11.253 -20.038 202 1HE LYS 24 1HE LYS 24 -8.120 -9.851 -18.184 203 2HE LYS 24 2HE LYS 24 -7.014 -8.966 -19.233 204 1HZ LYS 24 1HZ LYS 24 -9.017 -7.809 -20.145 205 2HZ LYS 24 2HZ LYS 24 -8.682 -7.469 -18.521 206 3HZ LYS 24 3HZ LYS 24 -9.934 -8.537 -18.919 207 H ASP 25 H ASP 25 -9.734 -10.123 -25.419 208 HA ASP 25 HA ASP 25 -9.038 -7.486 -26.386 209 1HB ASP 25 1HB ASP 25 -11.038 -7.753 -27.821 210 2HB ASP 25 2HB ASP 25 -9.911 -9.095 -27.971 211 H ASN 26 H ASN 26 -9.991 -8.039 -23.531 212 HA ASN 26 HA ASN 26 -12.042 -5.923 -23.521 213 1HB ASN 26 1HB ASN 26 -12.893 -8.228 -22.870 214 2HB ASN 26 2HB ASN 26 -11.863 -8.115 -21.449 215 1HD2 ASN 26 2HD2 ASN 26 -14.744 -8.346 -21.647 216 2HD2 ASN 26 1HD2 ASN 26 -15.398 -6.987 -20.801 217 H ASP 27 H ASP 27 -11.593 -4.197 -22.356 218 HA ASP 27 HA ASP 27 -9.007 -3.796 -21.276 219 1HB ASP 27 1HB ASP 27 -9.913 -1.859 -22.151 220 2HB ASP 27 2HB ASP 27 -11.513 -2.177 -21.491 221 H ASN 28 H ASN 28 -8.339 -3.408 -19.172 222 HA ASN 28 HA ASN 28 -9.813 -4.801 -17.107 223 1HB ASN 28 1HB ASN 28 -7.174 -3.317 -17.001 224 2HB ASN 28 2HB ASN 28 -7.865 -4.223 -15.662 225 1HD2 ASN 28 2HD2 ASN 28 -5.331 -4.687 -16.829 226 2HD2 ASN 28 1HD2 ASN 28 -5.361 -6.277 -17.508 227 H GLU 29 H GLU 29 -8.289 -1.602 -17.254 228 HA GLU 29 HA GLU 29 -10.603 -0.145 -16.574 229 1HB GLU 29 1HB GLU 29 -9.973 0.572 -14.305 230 2HB GLU 29 2HB GLU 29 -10.307 -1.152 -14.370 231 1HG GLU 29 1HG GLU 29 -7.995 -1.685 -14.253 232 2HG GLU 29 2HG GLU 29 -7.534 0.001 -14.490 233 H VAL 30 H VAL 30 -8.314 -0.133 -18.400 234 HA VAL 30 HA VAL 30 -6.978 2.352 -17.549 235 HB VAL 30 HB VAL 30 -5.413 0.497 -17.446 236 1HG1 VAL 30 1HG1 VAL 30 -6.420 -1.034 -19.008 237 2HG1 VAL 30 2HG1 VAL 30 -4.748 -0.723 -19.476 238 3HG1 VAL 30 3HG1 VAL 30 -6.069 0.053 -20.352 239 1HG2 VAL 30 1HG2 VAL 30 -3.654 1.377 -18.891 240 2HG2 VAL 30 2HG2 VAL 30 -4.554 2.675 -18.108 241 3HG2 VAL 30 3HG2 VAL 30 -4.854 2.291 -19.804 242 HA PRO 31 HA PRO 31 -8.757 3.866 -21.302 243 1HB PRO 31 1HB PRO 31 -7.874 6.398 -21.140 244 2HB PRO 31 2HB PRO 31 -9.148 5.765 -20.094 245 1HG PRO 31 1HG PRO 31 -6.265 6.234 -19.498 246 2HG PRO 31 2HG PRO 31 -7.677 6.477 -18.457 247 1HD PRO 31 1HD PRO 31 -5.983 4.287 -18.358 248 2HD PRO 31 2HD PRO 31 -7.644 4.318 -17.733 249 H VAL 32 H VAL 32 -7.102 2.342 -22.280 250 HA VAL 32 HA VAL 32 -5.555 3.931 -24.154 251 HB VAL 32 HB VAL 32 -3.943 3.373 -22.391 252 1HG1 VAL 32 1HG1 VAL 32 -4.905 1.297 -21.574 253 2HG1 VAL 32 2HG1 VAL 32 -3.218 1.062 -22.033 254 3HG1 VAL 32 3HG1 VAL 32 -4.507 0.496 -23.095 255 1HG2 VAL 32 1HG2 VAL 32 -2.216 2.404 -23.837 256 2HG2 VAL 32 2HG2 VAL 32 -3.165 3.633 -24.672 257 3HG2 VAL 32 3HG2 VAL 32 -3.463 1.925 -24.989 258 H HIS 33 H HIS 33 -6.088 3.393 -26.057 259 HA HIS 33 HA HIS 33 -5.984 0.861 -27.194 260 1HB HIS 33 1HB HIS 33 -8.386 0.402 -27.556 261 2HB HIS 33 2HB HIS 33 -7.931 0.268 -25.870 262 HD1 HIS 33 HD1 HIS 33 -10.275 2.007 -28.129 263 HD2 HIS 33 HD2 HIS 33 -8.851 2.458 -24.244 264 HE1 HIS 33 HE1 HIS 33 -11.871 3.585 -26.996 265 H GLN 34 H GLN 34 -6.298 0.946 -29.420 266 HA GLN 34 HA GLN 34 -6.356 1.921 -31.478 267 1HB GLN 34 1HB GLN 34 -8.563 3.569 -30.228 268 2HB GLN 34 2HB GLN 34 -8.306 3.320 -31.951 269 1HG GLN 34 1HG GLN 34 -8.838 0.999 -31.766 270 2HG GLN 34 2HG GLN 34 -8.875 1.098 -30.006 271 1HE2 GLN 34 2HE2 GLN 34 -10.551 1.783 -32.953 272 2HE2 GLN 34 1HE2 GLN 34 -12.079 2.174 -32.230 273 H VAL 35 H VAL 35 -4.340 2.851 -30.014 274 HA VAL 35 HA VAL 35 -4.395 5.733 -29.812 275 HB VAL 35 HB VAL 35 -2.104 5.509 -28.919 276 1HG1 VAL 35 1HG1 VAL 35 -2.681 4.303 -26.861 277 2HG1 VAL 35 2HG1 VAL 35 -4.107 3.638 -27.659 278 3HG1 VAL 35 3HG1 VAL 35 -3.979 5.377 -27.382 279 1HG2 VAL 35 1HG2 VAL 35 -1.165 3.283 -28.493 280 2HG2 VAL 35 2HG2 VAL 35 -1.371 3.581 -30.218 281 3HG2 VAL 35 3HG2 VAL 35 -2.515 2.550 -29.359 282 H SER 36 H SER 36 -2.105 6.692 -30.505 283 HA SER 36 HA SER 36 -1.223 5.723 -33.083 284 1HB SER 36 1HB SER 36 -3.254 7.155 -33.515 285 2HB SER 36 2HB SER 36 -2.372 8.515 -32.822 286 HG SER 36 HG SER 36 -1.172 7.044 -34.893 287 H TYR 37 H TYR 37 0.456 7.462 -33.932 288 HA TYR 37 HA TYR 37 2.664 7.388 -32.326 289 1HB TYR 37 1HB TYR 37 2.819 7.856 -34.684 290 2HB TYR 37 2HB TYR 37 1.943 9.368 -34.492 291 HD1 TYR 37 HD1 TYR 37 5.112 7.672 -33.476 292 HD2 TYR 37 HD2 TYR 37 3.109 11.356 -34.212 293 HE1 TYR 37 HE1 TYR 37 7.245 8.875 -33.244 294 HE2 TYR 37 HE2 TYR 37 5.235 12.566 -33.978 295 HH TYR 37 HH TYR 37 8.246 11.017 -33.983 296 H THR 38 H THR 38 0.319 10.029 -32.541 297 HA THR 38 HA THR 38 1.688 11.849 -30.892 298 HB THR 38 HB THR 38 -0.801 12.675 -30.544 299 HG1 THR 38 HG1 THR 38 -2.230 11.781 -31.914 300 1HG2 THR 38 1HG2 THR 38 0.643 12.728 -33.197 301 2HG2 THR 38 2HG2 THR 38 0.879 13.849 -31.855 302 3HG2 THR 38 3HG2 THR 38 -0.658 13.820 -32.719 303 H ASN 39 H ASN 39 -0.766 9.401 -30.158 304 HA ASN 39 HA ASN 39 -1.179 10.121 -27.468 305 1HB ASN 39 1HB ASN 39 -1.582 7.508 -28.915 306 2HB ASN 39 2HB ASN 39 -1.998 7.727 -27.221 307 1HD2 ASN 39 2HD2 ASN 39 -2.892 10.519 -27.649 308 2HD2 ASN 39 1HD2 ASN 39 -4.431 10.368 -28.424 309 H LEU 40 H LEU 40 1.215 8.059 -28.998 310 HA LEU 40 HA LEU 40 2.202 6.767 -26.728 311 1HB LEU 40 1HB LEU 40 3.326 7.472 -29.386 312 2HB LEU 40 2HB LEU 40 4.467 7.040 -28.130 313 HG LEU 40 HG LEU 40 3.261 4.884 -27.834 314 1HD1 LEU 40 1HD1 LEU 40 1.079 5.521 -28.678 315 2HD1 LEU 40 2HD1 LEU 40 1.718 4.149 -29.585 316 3HD1 LEU 40 3HD1 LEU 40 1.753 5.767 -30.288 317 1HD2 LEU 40 1HD2 LEU 40 4.121 3.860 -29.885 318 2HD2 LEU 40 2HD2 LEU 40 5.266 5.006 -29.189 319 3HD2 LEU 40 3HD2 LEU 40 4.309 5.462 -30.599 320 H ALA 41 H ALA 41 3.257 9.830 -28.194 321 HA ALA 41 HA ALA 41 5.225 10.473 -26.322 322 1HB ALA 41 1HB ALA 41 3.465 12.347 -27.902 323 2HB ALA 41 2HB ALA 41 4.982 11.634 -28.450 324 3HB ALA 41 3HB ALA 41 4.981 12.777 -27.107 325 H GLU 42 H GLU 42 1.756 11.111 -26.316 326 HA GLU 42 HA GLU 42 1.600 12.748 -24.054 327 1HB GLU 42 1HB GLU 42 -0.376 10.730 -25.131 328 2HB GLU 42 2HB GLU 42 -0.758 11.930 -23.909 329 1HG GLU 42 1HG GLU 42 -0.211 13.706 -25.534 330 2HG GLU 42 2HG GLU 42 0.072 12.461 -26.750 331 H MET 43 H MET 43 1.389 9.221 -24.354 332 HA MET 43 HA MET 43 0.972 8.833 -21.555 333 1HB MET 43 1HB MET 43 1.562 6.941 -23.820 334 2HB MET 43 2HB MET 43 1.390 6.397 -22.156 335 1HG MET 43 1HG MET 43 -0.866 7.233 -22.060 336 2HG MET 43 2HG MET 43 -0.710 7.928 -23.673 337 1HE MET 43 1HE MET 43 -0.855 6.603 -25.891 338 2HE MET 43 2HE MET 43 -0.666 4.854 -26.001 339 3HE MET 43 3HE MET 43 0.672 5.851 -25.432 340 H VAL 44 H VAL 44 3.808 8.861 -23.630 341 HA VAL 44 HA VAL 44 5.618 7.733 -21.769 342 HB VAL 44 HB VAL 44 6.137 9.745 -23.971 343 1HG1 VAL 44 1HG1 VAL 44 8.097 8.110 -22.357 344 2HG1 VAL 44 2HG1 VAL 44 7.916 9.862 -22.316 345 3HG1 VAL 44 3HG1 VAL 44 8.500 9.071 -23.779 346 1HG2 VAL 44 1HG2 VAL 44 6.512 6.752 -23.864 347 2HG2 VAL 44 2HG2 VAL 44 6.994 7.797 -25.201 348 3HG2 VAL 44 3HG2 VAL 44 5.287 7.620 -24.792 349 H GLY 45 H GLY 45 4.470 11.014 -22.319 350 1HA GLY 45 1HA GLY 45 6.191 12.345 -20.535 351 2HA GLY 45 2HA GLY 45 4.616 12.921 -21.060 352 H GLU 46 H GLU 46 2.961 10.945 -20.020 353 HA GLU 46 HA GLU 46 2.830 11.859 -17.327 354 1HB GLU 46 1HB GLU 46 0.844 10.364 -17.154 355 2HB GLU 46 2HB GLU 46 0.773 11.529 -18.467 356 1HG GLU 46 1HG GLU 46 1.474 9.747 -20.028 357 2HG GLU 46 2HG GLU 46 1.400 8.597 -18.694 358 H MET 47 H MET 47 4.117 9.000 -18.834 359 HA MET 47 HA MET 47 4.350 7.315 -16.617 360 1HB MET 47 1HB MET 47 6.257 7.775 -18.915 361 2HB MET 47 2HB MET 47 6.485 6.513 -17.716 362 1HG MET 47 1HG MET 47 4.038 6.719 -19.446 363 2HG MET 47 2HG MET 47 5.472 5.808 -19.901 364 1HE MET 47 1HE MET 47 2.253 4.612 -16.892 365 2HE MET 47 2HE MET 47 2.106 5.737 -18.244 366 3HE MET 47 3HE MET 47 2.982 6.211 -16.791 367 H ASN 48 H ASN 48 6.275 10.078 -17.614 368 HA ASN 48 HA ASN 48 8.330 9.758 -15.666 369 1HB ASN 48 1HB ASN 48 7.447 12.116 -17.332 370 2HB ASN 48 2HB ASN 48 8.811 12.191 -16.225 371 1HD2 ASN 48 2HD2 ASN 48 8.087 9.299 -18.054 372 2HD2 ASN 48 1HD2 ASN 48 9.433 9.415 -19.128 373 H LYS 49 H LYS 49 5.153 11.037 -15.583 374 HA LYS 49 HA LYS 49 5.625 12.785 -13.326 375 1HB LYS 49 1HB LYS 49 3.015 11.997 -14.636 376 2HB LYS 49 2HB LYS 49 3.261 13.332 -13.518 377 1HG LYS 49 1HG LYS 49 4.550 14.534 -15.101 378 2HG LYS 49 2HG LYS 49 4.649 13.140 -16.176 379 1HD LYS 49 1HD LYS 49 2.169 13.263 -16.438 380 2HD LYS 49 2HD LYS 49 2.196 14.761 -15.508 381 1HE LYS 49 1HE LYS 49 3.582 15.823 -17.161 382 2HE LYS 49 2HE LYS 49 3.744 14.312 -18.053 383 1HZ LYS 49 1HZ LYS 49 1.206 15.808 -17.637 384 2HZ LYS 49 2HZ LYS 49 1.371 14.366 -18.513 385 3HZ LYS 49 3HZ LYS 49 2.116 15.785 -19.067 386 H LEU 50 H LEU 50 4.252 9.627 -13.979 387 HA LEU 50 HA LEU 50 2.904 9.282 -11.526 388 1HB LEU 50 1HB LEU 50 3.969 7.264 -13.497 389 2HB LEU 50 2HB LEU 50 2.969 6.845 -12.122 390 HG LEU 50 HG LEU 50 2.155 8.576 -14.452 391 1HD1 LEU 50 1HD1 LEU 50 0.566 6.755 -14.888 392 2HD1 LEU 50 2HD1 LEU 50 1.299 5.824 -13.581 393 3HD1 LEU 50 3HD1 LEU 50 2.244 6.231 -15.012 394 1HD2 LEU 50 1HD2 LEU 50 -0.049 8.641 -13.426 395 2HD2 LEU 50 2HD2 LEU 50 1.153 9.366 -12.361 396 3HD2 LEU 50 3HD2 LEU 50 0.555 7.740 -12.035 397 H LEU 51 H LEU 51 6.216 8.581 -12.497 398 HA LEU 51 HA LEU 51 6.738 7.756 -9.722 399 1HB LEU 51 1HB LEU 51 8.761 6.527 -10.833 400 2HB LEU 51 2HB LEU 51 7.178 5.784 -10.780 401 HG LEU 51 HG LEU 51 6.800 6.518 -13.129 402 1HD1 LEU 51 1HD1 LEU 51 9.721 7.281 -13.005 403 2HD1 LEU 51 2HD1 LEU 51 8.366 8.390 -13.205 404 3HD1 LEU 51 3HD1 LEU 51 8.736 7.212 -14.465 405 1HD2 LEU 51 1HD2 LEU 51 8.256 4.819 -14.113 406 2HD2 LEU 51 2HD2 LEU 51 7.547 4.264 -12.596 407 3HD2 LEU 51 3HD2 LEU 51 9.230 4.795 -12.644 408 H GLU 52 H GLU 52 6.755 10.387 -10.812 409 HA GLU 52 HA GLU 52 9.190 11.462 -11.477 410 1HB GLU 52 1HB GLU 52 6.703 12.401 -10.973 411 2HB GLU 52 2HB GLU 52 7.557 13.007 -9.564 412 1HG GLU 52 1HG GLU 52 8.787 13.432 -12.220 413 2HG GLU 52 2HG GLU 52 7.363 14.375 -11.798 414 HA PRO 53 HA PRO 53 10.626 11.716 -6.987 415 1HB PRO 53 1HB PRO 53 9.026 11.283 -4.906 416 2HB PRO 53 2HB PRO 53 8.863 12.750 -5.879 417 1HG PRO 53 1HG PRO 53 7.147 10.328 -5.811 418 2HG PRO 53 2HG PRO 53 6.708 12.011 -6.139 419 1HD PRO 53 1HD PRO 53 7.207 9.949 -8.040 420 2HD PRO 53 2HD PRO 53 6.902 11.666 -8.366 421 H SER 54 H SER 54 10.210 9.110 -8.460 422 HA SER 54 HA SER 54 10.251 7.116 -6.356 423 1HB SER 54 1HB SER 54 10.459 5.487 -8.135 424 2HB SER 54 2HB SER 54 9.205 6.648 -8.568 425 HG SER 54 HG SER 54 10.465 7.487 -10.099 426 H GLN 55 H GLN 55 12.029 5.812 -5.810 427 HA GLN 55 HA GLN 55 14.597 6.974 -5.886 428 1HB GLN 55 1HB GLN 55 13.617 5.282 -4.212 429 2HB GLN 55 2HB GLN 55 13.992 4.064 -5.414 430 1HG GLN 55 1HG GLN 55 15.805 3.992 -4.023 431 2HG GLN 55 2HG GLN 55 16.368 5.013 -5.341 432 1HE2 GLN 55 2HE2 GLN 55 14.148 6.068 -2.847 433 2HE2 GLN 55 1HE2 GLN 55 15.243 7.154 -2.056 434 H VAL 56 H VAL 56 12.842 4.968 -8.040 435 HA VAL 56 HA VAL 56 15.131 3.628 -9.159 436 HB VAL 56 HB VAL 56 12.959 2.496 -8.908 437 1HG1 VAL 56 1HG1 VAL 56 11.131 2.945 -10.456 438 2HG1 VAL 56 2HG1 VAL 56 12.017 4.326 -11.105 439 3HG1 VAL 56 3HG1 VAL 56 11.464 4.340 -9.430 440 1HG2 VAL 56 1HG2 VAL 56 12.947 1.412 -11.098 441 2HG2 VAL 56 2HG2 VAL 56 14.584 1.658 -10.487 442 3HG2 VAL 56 3HG2 VAL 56 13.940 2.721 -11.740 443 H HIS 57 H HIS 57 13.102 6.365 -9.963 444 HA HIS 57 HA HIS 57 13.430 8.116 -11.374 445 1HB HIS 57 1HB HIS 57 16.024 6.728 -12.075 446 2HB HIS 57 2HB HIS 57 15.546 8.304 -12.687 447 HD1 HIS 57 HD1 HIS 57 17.950 8.865 -11.517 448 HD2 HIS 57 HD2 HIS 57 14.730 8.092 -8.982 449 HE1 HIS 57 HE1 HIS 57 18.598 9.813 -9.276 450 H LEU 58 H LEU 58 14.857 5.414 -13.213 451 HA LEU 58 HA LEU 58 14.685 4.793 -15.361 452 1HB LEU 58 1HB LEU 58 11.853 5.414 -14.713 453 2HB LEU 58 2HB LEU 58 12.286 5.094 -16.381 454 HG LEU 58 HG LEU 58 11.598 3.034 -15.602 455 1HD1 LEU 58 1HD1 LEU 58 13.791 2.900 -16.689 456 2HD1 LEU 58 2HD1 LEU 58 13.542 1.615 -15.510 457 3HD1 LEU 58 3HD1 LEU 58 14.561 2.993 -15.104 458 1HD2 LEU 58 1HD2 LEU 58 11.370 3.590 -13.279 459 2HD2 LEU 58 2HD2 LEU 58 13.122 3.556 -13.078 460 3HD2 LEU 58 3HD2 LEU 58 12.248 2.073 -13.459 461 H LYS 59 H LYS 59 14.886 5.434 -17.413 462 HA LYS 59 HA LYS 59 14.219 8.232 -18.070 463 1HB LYS 59 1HB LYS 59 16.373 6.682 -19.489 464 2HB LYS 59 2HB LYS 59 16.163 8.424 -19.375 465 1HG LYS 59 1HG LYS 59 16.823 8.344 -17.017 466 2HG LYS 59 2HG LYS 59 17.053 6.598 -17.151 467 1HD LYS 59 1HD LYS 59 19.204 7.452 -17.421 468 2HD LYS 59 2HD LYS 59 18.661 7.174 -19.077 469 1HE LYS 59 1HE LYS 59 19.585 9.288 -19.207 470 2HE LYS 59 2HE LYS 59 17.873 9.639 -18.966 471 1HZ LYS 59 1HZ LYS 59 18.830 11.015 -17.431 472 2HZ LYS 59 2HZ LYS 59 20.123 9.969 -17.115 473 3HZ LYS 59 3HZ LYS 59 18.594 9.638 -16.459 474 H PHE 60 H PHE 60 12.629 8.327 -19.565 475 HA PHE 60 HA PHE 60 12.163 5.938 -21.222 476 1HB PHE 60 1HB PHE 60 10.225 8.083 -20.327 477 2HB PHE 60 2HB PHE 60 9.818 6.779 -21.436 478 HD1 PHE 60 HD1 PHE 60 9.960 4.407 -20.603 479 HD2 PHE 60 HD2 PHE 60 10.148 7.776 -18.016 480 HE1 PHE 60 HE1 PHE 60 9.368 2.968 -18.702 481 HE2 PHE 60 HE2 PHE 60 9.549 6.346 -16.103 482 HZ PHE 60 HZ PHE 60 9.160 3.936 -16.446 483 H GLU 61 H GLU 61 12.660 6.118 -23.312 484 HA GLU 61 HA GLU 61 12.426 8.780 -24.553 485 1HB GLU 61 1HB GLU 61 14.616 6.746 -24.861 486 2HB GLU 61 2HB GLU 61 14.328 7.982 -26.074 487 1HG GLU 61 1HG GLU 61 14.607 9.683 -24.236 488 2HG GLU 61 2HG GLU 61 15.177 8.355 -23.221 489 H LEU 62 H LEU 62 11.503 8.903 -26.526 490 HA LEU 62 HA LEU 62 10.439 6.442 -27.706 491 1HB LEU 62 1HB LEU 62 8.849 8.269 -27.378 492 2HB LEU 62 2HB LEU 62 9.874 9.356 -28.294 493 HG LEU 62 HG LEU 62 9.496 7.914 -30.310 494 1HD1 LEU 62 1HD1 LEU 62 7.614 6.354 -30.266 495 2HD1 LEU 62 2HD1 LEU 62 7.449 6.601 -28.528 496 3HD1 LEU 62 3HD1 LEU 62 8.904 5.846 -29.178 497 1HD2 LEU 62 1HD2 LEU 62 7.234 8.744 -30.729 498 2HD2 LEU 62 2HD2 LEU 62 8.235 9.973 -29.953 499 3HD2 LEU 62 3HD2 LEU 62 7.039 9.086 -29.009 500 H HIS 63 H HIS 63 11.929 5.500 -29.009 501 HA HIS 63 HA HIS 63 13.486 7.280 -30.762 502 1HB HIS 63 1HB HIS 63 14.236 4.730 -29.388 503 2HB HIS 63 2HB HIS 63 15.015 5.145 -30.913 504 HD1 HIS 63 HD1 HIS 63 16.919 6.753 -30.811 505 HD2 HIS 63 HD2 HIS 63 14.675 6.727 -27.310 506 HE1 HIS 63 HE1 HIS 63 18.186 8.188 -29.180 507 H ASP 64 H ASP 64 13.154 7.167 -32.823 508 HA ASP 64 HA ASP 64 11.524 5.008 -33.921 509 1HB ASP 64 1HB ASP 64 11.205 6.506 -35.832 510 2HB ASP 64 2HB ASP 64 10.815 7.339 -34.335 511 H LYS 65 H LYS 65 12.164 3.902 -35.837 512 HA LYS 65 HA LYS 65 14.875 4.197 -36.801 513 1HB LYS 65 1HB LYS 65 15.650 1.988 -36.224 514 2HB LYS 65 2HB LYS 65 15.145 2.800 -34.752 515 1HG LYS 65 1HG LYS 65 13.020 1.569 -34.820 516 2HG LYS 65 2HG LYS 65 13.573 0.727 -36.265 517 1HD LYS 65 1HD LYS 65 15.471 -0.177 -34.990 518 2HD LYS 65 2HD LYS 65 14.872 0.635 -33.544 519 1HE LYS 65 1HE LYS 65 14.187 -1.658 -33.460 520 2HE LYS 65 2HE LYS 65 12.764 -0.662 -33.753 521 1HZ LYS 65 1HZ LYS 65 12.732 -1.308 -36.027 522 2HZ LYS 65 2HZ LYS 65 12.925 -2.729 -35.122 523 3HZ LYS 65 3HZ LYS 65 14.258 -2.042 -35.915 524 H LEU 66 H LEU 66 14.938 3.727 -38.893 525 HA LEU 66 HA LEU 66 14.485 2.870 -40.934 526 1HB LEU 66 1HB LEU 66 14.690 0.710 -39.702 527 2HB LEU 66 2HB LEU 66 12.957 0.722 -39.463 528 HG LEU 66 HG LEU 66 13.782 0.969 -42.274 529 1HD1 LEU 66 1HD1 LEU 66 15.524 -0.545 -41.528 530 2HD1 LEU 66 2HD1 LEU 66 14.331 -1.419 -42.488 531 3HD1 LEU 66 3HD1 LEU 66 14.326 -1.563 -40.730 532 1HD2 LEU 66 1HD2 LEU 66 12.011 -0.688 -42.558 533 2HD2 LEU 66 2HD2 LEU 66 11.459 0.676 -41.587 534 3HD2 LEU 66 3HD2 LEU 66 11.877 -0.851 -40.807 535 H ASN 67 H ASN 67 11.471 1.836 -39.422 536 HA ASN 67 HA ASN 67 10.021 4.084 -40.571 537 1HB ASN 67 1HB ASN 67 10.011 2.307 -42.323 538 2HB ASN 67 2HB ASN 67 9.273 1.203 -41.170 539 1HD2 ASN 67 2HD2 ASN 67 8.800 4.120 -43.043 540 2HD2 ASN 67 1HD2 ASN 67 7.071 4.080 -43.028 541 H GLU 68 H GLU 68 10.796 2.477 -37.977 542 HA GLU 68 HA GLU 68 8.085 2.153 -36.874 543 1HB GLU 68 1HB GLU 68 10.649 0.849 -35.940 544 2HB GLU 68 2HB GLU 68 9.026 0.510 -35.356 545 1HG GLU 68 1HG GLU 68 8.410 -0.459 -37.456 546 2HG GLU 68 2HG GLU 68 9.946 0.025 -38.178 547 H TYR 69 H TYR 69 7.962 2.528 -34.515 548 HA TYR 69 HA TYR 69 10.038 4.154 -33.326 549 1HB TYR 69 1HB TYR 69 8.319 5.896 -32.603 550 2HB TYR 69 2HB TYR 69 8.848 5.962 -34.277 551 HD1 TYR 69 HD1 TYR 69 7.304 5.712 -36.058 552 HD2 TYR 69 HD2 TYR 69 6.055 4.957 -32.061 553 HE1 TYR 69 HE1 TYR 69 4.963 5.663 -36.805 554 HE2 TYR 69 HE2 TYR 69 3.712 4.903 -32.798 555 HH TYR 69 HH TYR 69 2.844 4.903 -36.171 556 H TYR 70 H TYR 70 10.199 3.763 -31.180 557 HA TYR 70 HA TYR 70 7.955 2.472 -29.828 558 1HB TYR 70 1HB TYR 70 9.349 0.610 -29.050 559 2HB TYR 70 2HB TYR 70 9.251 0.627 -30.807 560 HD1 TYR 70 HD1 TYR 70 11.208 1.247 -32.155 561 HD2 TYR 70 HD2 TYR 70 11.433 1.020 -27.914 562 HE1 TYR 70 HE1 TYR 70 13.660 1.239 -32.286 563 HE2 TYR 70 HE2 TYR 70 13.887 1.010 -28.038 564 HH TYR 70 HH TYR 70 15.647 0.435 -29.645 565 H VAL 71 H VAL 71 8.376 2.193 -27.488 566 HA VAL 71 HA VAL 71 9.960 4.460 -26.488 567 HB VAL 71 HB VAL 71 7.790 2.930 -25.042 568 1HG1 VAL 71 1HG1 VAL 71 7.809 4.813 -23.486 569 2HG1 VAL 71 2HG1 VAL 71 9.121 5.559 -24.401 570 3HG1 VAL 71 3HG1 VAL 71 9.387 4.031 -23.563 571 1HG2 VAL 71 1HG2 VAL 71 6.839 4.062 -26.970 572 2HG2 VAL 71 2HG2 VAL 71 7.611 5.571 -26.486 573 3HG2 VAL 71 3HG2 VAL 71 6.346 4.868 -25.479 574 H LYS 72 H LYS 72 11.815 4.005 -25.458 575 HA LYS 72 HA LYS 72 12.147 1.240 -24.526 576 1HB LYS 72 1HB LYS 72 14.592 1.607 -24.829 577 2HB LYS 72 2HB LYS 72 13.654 1.629 -26.313 578 1HG LYS 72 1HG LYS 72 13.680 4.163 -26.102 579 2HG LYS 72 2HG LYS 72 14.928 3.929 -24.873 580 1HD LYS 72 1HD LYS 72 15.021 3.057 -27.757 581 2HD LYS 72 2HD LYS 72 15.998 4.311 -26.995 582 1HE LYS 72 1HE LYS 72 17.059 2.629 -25.576 583 2HE LYS 72 2HE LYS 72 16.065 1.374 -26.313 584 1HZ LYS 72 1HZ LYS 72 17.136 1.693 -28.390 585 2HZ LYS 72 2HZ LYS 72 18.361 1.546 -27.226 586 3HZ LYS 72 3HZ LYS 72 17.954 3.074 -27.841 587 H VAL 73 H VAL 73 12.786 0.802 -22.550 588 HA VAL 73 HA VAL 73 12.686 2.990 -20.614 589 HB VAL 73 HB VAL 73 12.699 0.002 -20.133 590 1HG1 VAL 73 1HG1 VAL 73 13.406 1.271 -18.196 591 2HG1 VAL 73 2HG1 VAL 73 11.796 0.602 -17.929 592 3HG1 VAL 73 3HG1 VAL 73 11.986 2.308 -18.329 593 1HG2 VAL 73 1HG2 VAL 73 10.758 0.611 -21.451 594 2HG2 VAL 73 2HG2 VAL 73 10.366 1.904 -20.318 595 3HG2 VAL 73 3HG2 VAL 73 10.275 0.220 -19.800 596 H ILE 74 H ILE 74 14.532 3.859 -20.003 597 HA ILE 74 HA ILE 74 16.970 2.205 -20.002 598 HB ILE 74 HB ILE 74 16.709 5.221 -20.047 599 1HG1 ILE 74 1HG1 ILE 74 17.511 3.311 -22.252 600 2HG1 ILE 74 2HG1 ILE 74 15.965 4.145 -22.145 601 1HG2 ILE 74 1HG2 ILE 74 19.136 3.453 -20.294 602 2HG2 ILE 74 2HG2 ILE 74 18.745 4.520 -18.945 603 3HG2 ILE 74 3HG2 ILE 74 19.122 5.201 -20.528 604 1HD1 ILE 74 1HD1 ILE 74 17.092 6.284 -22.379 605 2HD1 ILE 74 2HD1 ILE 74 17.471 5.214 -23.730 606 3HD1 ILE 74 3HD1 ILE 74 18.652 5.465 -22.443 607 H GLU 75 H GLU 75 17.847 1.716 -18.056 608 HA GLU 75 HA GLU 75 16.661 2.767 -15.665 609 1HB GLU 75 1HB GLU 75 17.372 0.497 -15.574 610 2HB GLU 75 2HB GLU 75 18.978 0.904 -16.157 611 1HG GLU 75 1HG GLU 75 19.026 0.397 -13.795 612 2HG GLU 75 2HG GLU 75 19.436 2.082 -14.077 613 H ASP 76 H ASP 76 17.241 4.490 -14.592 614 HA ASP 76 HA ASP 76 19.032 6.326 -15.816 615 1HB ASP 76 1HB ASP 76 16.927 6.979 -14.691 616 2HB ASP 76 2HB ASP 76 17.618 6.498 -13.148 617 H SER 77 H SER 77 19.222 4.173 -13.079 618 HA SER 77 HA SER 77 21.551 5.438 -11.957 619 1HB SER 77 1HB SER 77 19.827 4.253 -10.596 620 2HB SER 77 2HB SER 77 20.359 2.732 -11.309 621 HG SER 77 HG SER 77 22.357 4.303 -10.195 622 H THR 78 H THR 78 20.949 2.894 -14.238 623 HA THR 78 HA THR 78 23.698 1.919 -13.997 624 HB THR 78 HB THR 78 21.506 0.680 -15.661 625 HG1 THR 78 HG1 THR 78 22.215 0.040 -12.962 626 1HG2 THR 78 1HG2 THR 78 22.831 -1.357 -15.373 627 2HG2 THR 78 2HG2 THR 78 23.998 -0.469 -14.393 628 3HG2 THR 78 3HG2 THR 78 23.806 -0.081 -16.103 629 H ASN 79 H ASN 79 21.661 3.803 -16.016 630 HA ASN 79 HA ASN 79 22.194 5.204 -17.729 631 1HB ASN 79 1HB ASN 79 24.967 4.105 -17.278 632 2HB ASN 79 2HB ASN 79 24.610 5.267 -18.545 633 1HD2 ASN 79 2HD2 ASN 79 23.040 5.324 -15.414 634 2HD2 ASN 79 1HD2 ASN 79 23.789 6.782 -14.859 635 H GLU 80 H GLU 80 21.492 2.243 -18.038 636 HA GLU 80 HA GLU 80 22.010 2.210 -20.914 637 1HB GLU 80 1HB GLU 80 22.431 -0.222 -20.865 638 2HB GLU 80 2HB GLU 80 23.663 0.698 -20.016 639 1HG GLU 80 1HG GLU 80 22.648 0.113 -17.886 640 2HG GLU 80 2HG GLU 80 21.391 -0.795 -18.729 641 H VAL 81 H VAL 81 20.599 0.621 -22.058 642 HA VAL 81 HA VAL 81 17.881 1.114 -21.178 643 HB VAL 81 HB VAL 81 18.824 -0.354 -23.648 644 1HG1 VAL 81 1HG1 VAL 81 16.199 0.992 -23.012 645 2HG1 VAL 81 2HG1 VAL 81 16.485 -0.746 -23.098 646 3HG1 VAL 81 3HG1 VAL 81 16.630 0.243 -24.551 647 1HG2 VAL 81 1HG2 VAL 81 18.554 1.767 -24.832 648 2HG2 VAL 81 2HG2 VAL 81 19.797 1.870 -23.585 649 3HG2 VAL 81 3HG2 VAL 81 18.204 2.574 -23.304 650 H ILE 82 H ILE 82 16.569 -0.340 -20.229 651 HA ILE 82 HA ILE 82 17.658 -3.046 -19.879 652 HB ILE 82 HB ILE 82 16.065 -3.190 -17.928 653 1HG1 ILE 82 1HG1 ILE 82 15.870 -0.200 -18.367 654 2HG1 ILE 82 2HG1 ILE 82 14.569 -1.349 -18.644 655 1HG2 ILE 82 1HG2 ILE 82 18.211 -1.073 -17.866 656 2HG2 ILE 82 2HG2 ILE 82 18.433 -2.804 -17.612 657 3HG2 ILE 82 3HG2 ILE 82 17.508 -1.853 -16.451 658 1HD1 ILE 82 1HD1 ILE 82 15.878 -0.815 -15.991 659 2HD1 ILE 82 2HD1 ILE 82 14.524 -1.905 -16.287 660 3HD1 ILE 82 3HD1 ILE 82 14.327 -0.168 -16.521 661 H ARG 83 H ARG 83 15.203 -1.380 -21.511 662 HA ARG 83 HA ARG 83 14.057 -3.828 -22.469 663 1HB ARG 83 1HB ARG 83 12.931 -2.980 -20.135 664 2HB ARG 83 2HB ARG 83 11.933 -2.139 -21.311 665 1HG ARG 83 1HG ARG 83 10.803 -4.139 -20.912 666 2HG ARG 83 2HG ARG 83 11.647 -4.414 -22.437 667 1HD ARG 83 1HD ARG 83 13.425 -5.583 -21.262 668 2HD ARG 83 2HD ARG 83 12.634 -5.269 -19.722 669 HE ARG 83 HE ARG 83 10.805 -6.624 -21.334 670 1HH1 ARG 83 1HH1 ARG 83 13.938 -7.219 -19.912 671 2HH1 ARG 83 2HH1 ARG 83 13.663 -8.918 -19.671 672 1HH2 ARG 83 1HH2 ARG 83 10.424 -8.851 -21.040 673 2HH2 ARG 83 2HH2 ARG 83 11.649 -9.852 -20.308 674 H GLU 84 H GLU 84 13.416 -3.474 -24.540 675 HA GLU 84 HA GLU 84 12.646 -0.726 -25.284 676 1HB GLU 84 1HB GLU 84 13.586 -2.995 -27.052 677 2HB GLU 84 2HB GLU 84 13.102 -1.403 -27.620 678 1HG GLU 84 1HG GLU 84 14.931 -0.416 -26.269 679 2HG GLU 84 2HG GLU 84 15.452 -2.047 -25.856 680 H ILE 85 H ILE 85 10.547 -0.377 -25.554 681 HA ILE 85 HA ILE 85 8.797 -2.717 -25.889 682 HB ILE 85 HB ILE 85 8.220 -0.086 -24.517 683 1HG1 ILE 85 1HG1 ILE 85 8.522 -2.880 -23.391 684 2HG1 ILE 85 2HG1 ILE 85 9.742 -1.617 -23.288 685 1HG2 ILE 85 1HG2 ILE 85 6.479 -2.531 -24.818 686 2HG2 ILE 85 2HG2 ILE 85 6.233 -0.978 -25.618 687 3HG2 ILE 85 3HG2 ILE 85 6.091 -1.099 -23.864 688 1HD1 ILE 85 1HD1 ILE 85 8.502 -1.847 -21.212 689 2HD1 ILE 85 2HD1 ILE 85 6.996 -1.507 -22.066 690 3HD1 ILE 85 3HD1 ILE 85 8.240 -0.263 -21.944 691 HA PRO 86 HA PRO 86 7.703 -0.635 -29.726 692 1HB PRO 86 1HB PRO 86 6.372 -2.722 -30.793 693 2HB PRO 86 2HB PRO 86 8.137 -2.652 -30.757 694 1HG PRO 86 1HG PRO 86 6.269 -4.131 -28.948 695 2HG PRO 86 2HG PRO 86 7.802 -4.670 -29.659 696 1HD PRO 86 1HD PRO 86 7.565 -3.764 -27.095 697 2HD PRO 86 2HD PRO 86 9.054 -3.630 -28.049 698 HA PRO 87 HA PRO 87 3.848 1.111 -28.794 699 1HB PRO 87 1HB PRO 87 2.590 1.077 -31.272 700 2HB PRO 87 2HB PRO 87 3.742 2.294 -30.719 701 1HG PRO 87 1HG PRO 87 4.196 -0.095 -32.453 702 2HG PRO 87 2HG PRO 87 4.882 1.537 -32.583 703 1HD PRO 87 1HD PRO 87 6.319 -0.487 -31.592 704 2HD PRO 87 2HD PRO 87 6.441 1.146 -30.905 705 H LYS 88 H LYS 88 3.622 -1.888 -30.659 706 HA LYS 88 HA LYS 88 0.822 -2.204 -30.193 707 1HB LYS 88 1HB LYS 88 1.086 -4.426 -31.175 708 2HB LYS 88 2HB LYS 88 1.861 -3.194 -32.159 709 1HG LYS 88 1HG LYS 88 4.030 -3.850 -31.395 710 2HG LYS 88 2HG LYS 88 3.330 -4.951 -30.206 711 1HD LYS 88 1HD LYS 88 2.993 -5.203 -33.193 712 2HD LYS 88 2HD LYS 88 4.166 -6.107 -32.233 713 1HE LYS 88 1HE LYS 88 2.366 -7.131 -30.963 714 2HE LYS 88 2HE LYS 88 1.174 -6.181 -31.848 715 1HZ LYS 88 1HZ LYS 88 3.022 -8.110 -33.142 716 2HZ LYS 88 2HZ LYS 88 1.686 -7.336 -33.843 717 3HZ LYS 88 3HZ LYS 88 1.454 -8.505 -32.642 718 H ARG 89 H ARG 89 3.575 -2.805 -28.291 719 HA ARG 89 HA ARG 89 1.930 -4.432 -26.471 720 1HB ARG 89 1HB ARG 89 4.873 -4.556 -27.055 721 2HB ARG 89 2HB ARG 89 4.232 -5.152 -25.531 722 1HG ARG 89 1HG ARG 89 2.718 -6.644 -26.814 723 2HG ARG 89 2HG ARG 89 3.527 -6.122 -28.292 724 1HD ARG 89 1HD ARG 89 4.980 -7.341 -25.959 725 2HD ARG 89 2HD ARG 89 4.330 -8.296 -27.289 726 HE ARG 89 HE ARG 89 5.818 -6.764 -28.716 727 1HH1 ARG 89 1HH1 ARG 89 6.603 -7.775 -25.452 728 2HH1 ARG 89 2HH1 ARG 89 8.317 -7.788 -25.724 729 1HH2 ARG 89 1HH2 ARG 89 8.051 -6.742 -29.072 730 2HH2 ARG 89 2HH2 ARG 89 9.151 -7.127 -27.784 731 H TRP 90 H TRP 90 2.623 -1.445 -26.928 732 HA TRP 90 HA TRP 90 3.762 -0.585 -24.467 733 1HB TRP 90 1HB TRP 90 3.848 0.958 -26.285 734 2HB TRP 90 2HB TRP 90 2.118 0.825 -26.572 735 HD1 TRP 90 HD1 TRP 90 0.581 2.508 -25.354 736 HE1 TRP 90 HE1 TRP 90 0.935 4.359 -23.607 737 HE3 TRP 90 HE3 TRP 90 5.455 1.547 -24.150 738 HZ2 TRP 90 HZ2 TRP 90 3.025 5.302 -21.944 739 HZ3 TRP 90 HZ3 TRP 90 6.560 2.974 -22.477 740 HH2 TRP 90 HH2 TRP 90 5.370 4.810 -21.398 741 H LEU 91 H LEU 91 0.508 -1.193 -25.627 742 HA LEU 91 HA LEU 91 -0.906 0.073 -23.575 743 1HB LEU 91 1HB LEU 91 -1.669 -2.253 -25.330 744 2HB LEU 91 2HB LEU 91 -2.777 -1.502 -24.199 745 HG LEU 91 HG LEU 91 -2.227 0.691 -25.487 746 1HD1 LEU 91 1HD1 LEU 91 -1.466 -1.379 -27.536 747 2HD1 LEU 91 2HD1 LEU 91 -0.400 -0.165 -26.827 748 3HD1 LEU 91 3HD1 LEU 91 -1.743 0.331 -27.858 749 1HD2 LEU 91 1HD2 LEU 91 -4.030 0.230 -27.064 750 2HD2 LEU 91 2HD2 LEU 91 -4.405 -0.364 -25.446 751 3HD2 LEU 91 3HD2 LEU 91 -3.901 -1.492 -26.706 752 H ASP 92 H ASP 92 0.403 -3.183 -23.813 753 HA ASP 92 HA ASP 92 -0.711 -4.255 -21.467 754 1HB ASP 92 1HB ASP 92 2.015 -4.884 -22.632 755 2HB ASP 92 2HB ASP 92 1.044 -5.925 -21.598 756 H PHE 93 H PHE 93 2.426 -2.694 -22.043 757 HA PHE 93 HA PHE 93 3.357 -2.751 -19.400 758 1HB PHE 93 1HB PHE 93 4.835 -2.318 -21.289 759 2HB PHE 93 2HB PHE 93 3.990 -0.818 -21.642 760 HD1 PHE 93 HD1 PHE 93 4.795 1.166 -20.793 761 HD2 PHE 93 HD2 PHE 93 5.921 -2.490 -18.930 762 HE1 PHE 93 HE1 PHE 93 6.362 2.391 -19.348 763 HE2 PHE 93 HE2 PHE 93 7.489 -1.270 -17.477 764 HZ PHE 93 HZ PHE 93 7.710 1.173 -17.686 765 H TYR 94 H TYR 94 1.648 -0.203 -21.192 766 HA TYR 94 HA TYR 94 1.644 1.740 -19.180 767 1HB TYR 94 1HB TYR 94 1.105 2.235 -21.515 768 2HB TYR 94 2HB TYR 94 -0.357 1.266 -21.401 769 HD1 TYR 94 HD1 TYR 94 -2.272 2.503 -21.357 770 HD2 TYR 94 HD2 TYR 94 1.174 4.054 -19.409 771 HE1 TYR 94 HE1 TYR 94 -3.555 4.488 -20.691 772 HE2 TYR 94 HE2 TYR 94 -0.100 6.052 -18.739 773 HH TYR 94 HH TYR 94 -2.017 7.256 -19.179 774 H ALA 95 H ALA 95 -0.644 -0.868 -19.875 775 HA ALA 95 HA ALA 95 -2.558 -0.187 -17.922 776 1HB ALA 95 1HB ALA 95 -1.870 -2.913 -19.018 777 2HB ALA 95 2HB ALA 95 -3.004 -1.768 -19.736 778 3HB ALA 95 3HB ALA 95 -3.350 -2.480 -18.160 779 H ALA 96 H ALA 96 0.161 -2.488 -17.831 780 HA ALA 96 HA ALA 96 -0.171 -3.355 -15.194 781 1HB ALA 96 1HB ALA 96 1.307 -4.429 -16.855 782 2HB ALA 96 2HB ALA 96 2.110 -4.137 -15.312 783 3HB ALA 96 3HB ALA 96 2.433 -3.082 -16.687 784 H MET 97 H MET 97 1.549 -0.568 -16.501 785 HA MET 97 HA MET 97 2.823 0.292 -14.159 786 1HB MET 97 1HB MET 97 1.798 1.848 -16.536 787 2HB MET 97 2HB MET 97 2.740 2.580 -15.243 788 1HG MET 97 1HG MET 97 3.692 0.255 -16.890 789 2HG MET 97 2HG MET 97 4.030 1.941 -17.279 790 1HE MET 97 1HE MET 97 4.646 3.435 -14.748 791 2HE MET 97 2HE MET 97 5.771 3.418 -16.106 792 3HE MET 97 3HE MET 97 6.360 3.121 -14.472 793 H THR 98 H THR 98 -0.390 1.128 -15.448 794 HA THR 98 HA THR 98 -0.968 2.889 -13.274 795 HB THR 98 HB THR 98 -3.346 2.743 -14.173 796 HG1 THR 98 HG1 THR 98 -2.408 0.634 -15.407 797 1HG2 THR 98 1HG2 THR 98 -2.806 4.047 -16.186 798 2HG2 THR 98 2HG2 THR 98 -1.124 3.530 -16.057 799 3HG2 THR 98 3HG2 THR 98 -1.835 4.543 -14.800 800 H GLU 99 H GLU 99 -1.440 -0.536 -13.795 801 HA GLU 99 HA GLU 99 -3.308 -0.849 -11.649 802 1HB GLU 99 1HB GLU 99 -1.552 -2.888 -13.038 803 2HB GLU 99 2HB GLU 99 -2.812 -3.281 -11.876 804 1HG GLU 99 1HG GLU 99 -4.457 -2.195 -13.388 805 2HG GLU 99 2HG GLU 99 -3.168 -1.999 -14.573 806 H PHE 100 H PHE 100 0.199 -1.157 -11.985 807 HA PHE 100 HA PHE 100 0.502 -1.987 -9.234 808 1HB PHE 100 1HB PHE 100 2.019 -2.866 -10.946 809 2HB PHE 100 2HB PHE 100 2.595 -1.237 -11.282 810 HD1 PHE 100 HD1 PHE 100 2.202 -3.551 -8.379 811 HD2 PHE 100 HD2 PHE 100 4.561 -0.585 -10.311 812 HE1 PHE 100 HE1 PHE 100 3.934 -3.804 -6.649 813 HE2 PHE 100 HE2 PHE 100 6.295 -0.831 -8.591 814 HZ PHE 100 HZ PHE 100 5.984 -2.441 -6.753 815 H LEU 101 H LEU 101 1.607 0.895 -11.084 816 HA LEU 101 HA LEU 101 2.487 2.147 -8.650 817 1HB LEU 101 1HB LEU 101 2.307 3.234 -11.465 818 2HB LEU 101 2HB LEU 101 2.968 4.120 -10.105 819 HG LEU 101 HG LEU 101 4.074 1.571 -11.284 820 1HD1 LEU 101 1HD1 LEU 101 5.996 3.006 -11.828 821 2HD1 LEU 101 2HD1 LEU 101 5.097 4.404 -11.238 822 3HD1 LEU 101 3HD1 LEU 101 4.519 3.515 -12.648 823 1HD2 LEU 101 1HD2 LEU 101 5.896 1.845 -9.679 824 2HD2 LEU 101 2HD2 LEU 101 4.353 1.603 -8.861 825 3HD2 LEU 101 3HD2 LEU 101 5.058 3.217 -8.956 826 H GLY 102 H GLY 102 -0.466 1.985 -10.330 827 1HA GLY 102 1HA GLY 102 -1.568 4.459 -9.384 828 2HA GLY 102 2HA GLY 102 -2.472 3.112 -10.054 829 H LEU 103 H LEU 103 -0.489 1.973 -7.673 830 HA LEU 103 HA LEU 103 -2.571 2.182 -5.616 831 1HB LEU 103 1HB LEU 103 -0.107 0.443 -5.698 832 2HB LEU 103 2HB LEU 103 -1.351 0.398 -4.463 833 HG LEU 103 HG LEU 103 -1.750 -0.309 -7.371 834 1HD1 LEU 103 1HD1 LEU 103 -1.971 -2.598 -6.575 835 2HD1 LEU 103 2HD1 LEU 103 -1.605 -2.073 -4.931 836 3HD1 LEU 103 3HD1 LEU 103 -0.378 -1.947 -6.193 837 1HD2 LEU 103 1HD2 LEU 103 -3.944 -1.099 -6.676 838 2HD2 LEU 103 2HD2 LEU 103 -3.765 0.622 -6.334 839 3HD2 LEU 103 3HD2 LEU 103 -3.633 -0.555 -5.026 840 H PHE 104 H PHE 104 0.600 3.229 -6.457 841 HA PHE 104 HA PHE 104 1.303 4.082 -3.754 842 1HB PHE 104 1HB PHE 104 2.780 4.360 -6.392 843 2HB PHE 104 2HB PHE 104 3.415 4.862 -4.832 844 HD1 PHE 104 HD1 PHE 104 4.566 3.363 -3.477 845 HD2 PHE 104 HD2 PHE 104 2.259 1.900 -6.743 846 HE1 PHE 104 HE1 PHE 104 5.538 1.129 -3.156 847 HE2 PHE 104 HE2 PHE 104 3.221 -0.342 -6.421 848 HZ PHE 104 HZ PHE 104 4.865 -0.730 -4.627 849 H VAL 105 H VAL 105 -0.430 5.247 -6.337 850 HA VAL 105 HA VAL 105 0.383 7.900 -6.620 851 HB VAL 105 HB VAL 105 -1.929 8.285 -7.517 852 1HG1 VAL 105 1HG1 VAL 105 -1.646 6.826 -9.453 853 2HG1 VAL 105 2HG1 VAL 105 -0.470 5.864 -8.556 854 3HG1 VAL 105 3HG1 VAL 105 -0.113 7.546 -8.956 855 1HG2 VAL 105 1HG2 VAL 105 -2.285 5.368 -6.846 856 2HG2 VAL 105 2HG2 VAL 105 -3.410 6.365 -7.771 857 3HG2 VAL 105 3HG2 VAL 105 -3.116 6.714 -6.068 858 H ASP 106 H ASP 106 -0.036 9.743 -5.575 859 HA ASP 106 HA ASP 106 -1.455 9.567 -3.036 860 1HB ASP 106 1HB ASP 106 0.758 10.554 -2.936 861 2HB ASP 106 2HB ASP 106 0.336 11.724 -4.182 862 H GLU 107 H GLU 107 -3.502 9.425 -3.969 863 HA GLU 107 HA GLU 107 -5.484 10.194 -4.897 864 1HB GLU 107 1HB GLU 107 -5.364 10.486 -2.408 865 2HB GLU 107 2HB GLU 107 -5.022 12.188 -2.687 866 1HG GLU 107 1HG GLU 107 -7.149 12.485 -3.772 867 2HG GLU 107 2HG GLU 107 -7.487 10.762 -3.644 868 H LYS 108 H LYS 108 -4.035 13.370 -4.024 869 HA LYS 108 HA LYS 108 -5.569 14.672 -6.020 870 1HB LYS 108 1HB LYS 108 -3.534 15.493 -4.038 871 2HB LYS 108 2HB LYS 108 -3.717 16.538 -5.439 872 1HG LYS 108 1HG LYS 108 -6.156 15.687 -3.964 873 2HG LYS 108 2HG LYS 108 -5.118 16.924 -3.255 874 1HD LYS 108 1HD LYS 108 -6.893 17.951 -4.563 875 2HD LYS 108 2HD LYS 108 -5.326 18.259 -5.307 876 1HE LYS 108 1HE LYS 108 -5.774 16.356 -6.858 877 2HE LYS 108 2HE LYS 108 -7.394 16.241 -6.175 878 1HZ LYS 108 1HZ LYS 108 -7.932 18.386 -6.990 879 2HZ LYS 108 2HZ LYS 108 -7.218 17.541 -8.280 880 3HZ LYS 108 3HZ LYS 108 -6.326 18.707 -7.430 881 H LYS 109 H LYS 109 -2.677 12.936 -6.279 882 HA LYS 109 HA LYS 109 -1.812 14.354 -8.670 883 1HB LYS 109 1HB LYS 109 -0.779 11.918 -7.229 884 2HB LYS 109 2HB LYS 109 -0.184 12.365 -8.819 885 1HG LYS 109 1HG LYS 109 1.346 13.207 -7.212 886 2HG LYS 109 2HG LYS 109 0.463 14.581 -7.873 887 1HD LYS 109 1HD LYS 109 -0.959 14.643 -5.910 888 2HD LYS 109 2HD LYS 109 -0.161 13.212 -5.260 889 1HE LYS 109 1HE LYS 109 1.962 14.463 -5.194 890 2HE LYS 109 2HE LYS 109 1.112 15.895 -5.768 891 1HZ LYS 109 1HZ LYS 109 0.341 14.469 -3.284 892 2HZ LYS 109 2HZ LYS 109 -0.129 16.020 -3.785 893 3HZ LYS 109 3HZ LYS 109 1.470 15.738 -3.299 894 H LEU 110 H LEU 110 -4.198 12.232 -7.919 895 HA LEU 110 HA LEU 110 -4.089 10.533 -10.236 896 1HB LEU 110 1HB LEU 110 -6.056 10.954 -8.018 897 2HB LEU 110 2HB LEU 110 -6.486 9.985 -9.406 898 HG LEU 110 HG LEU 110 -4.163 9.435 -7.572 899 1HD1 LEU 110 1HD1 LEU 110 -5.515 7.564 -6.771 900 2HD1 LEU 110 2HD1 LEU 110 -6.856 8.093 -7.789 901 3HD1 LEU 110 3HD1 LEU 110 -6.307 9.108 -6.456 902 1HD2 LEU 110 1HD2 LEU 110 -3.796 8.664 -9.849 903 2HD2 LEU 110 2HD2 LEU 110 -5.349 7.833 -9.831 904 3HD2 LEU 110 3HD2 LEU 110 -4.054 7.303 -8.758 905 H GLU 111 H GLU 111 -6.065 13.203 -9.148 906 HA GLU 111 HA GLU 111 -7.513 14.612 -10.150 907 1HB GLU 111 1HB GLU 111 -5.535 14.090 -12.329 908 2HB GLU 111 2HB GLU 111 -6.971 15.047 -12.673 909 1HG GLU 111 1HG GLU 111 -4.966 15.638 -10.509 910 2HG GLU 111 2HG GLU 111 -5.040 16.430 -12.084 911 H HIS 112 H HIS 112 -7.857 11.527 -10.426 912 HA HIS 112 HA HIS 112 -9.741 11.270 -12.561 913 1HB HIS 112 1HB HIS 112 -9.314 9.645 -10.038 914 2HB HIS 112 2HB HIS 112 -10.514 9.236 -11.257 915 HD1 HIS 112 HD1 HIS 112 -8.946 6.962 -11.203 916 HD2 HIS 112 HD2 HIS 112 -7.368 10.349 -13.029 917 HE1 HIS 112 HE1 HIS 112 -7.062 6.139 -12.644 918 H HIS 113 H HIS 113 -11.642 12.309 -12.620 919 HA HIS 113 HA HIS 113 -12.352 13.907 -10.362 920 1HB HIS 113 1HB HIS 113 -12.517 14.473 -12.901 921 2HB HIS 113 2HB HIS 113 -14.089 13.685 -12.792 922 HD1 HIS 113 HD1 HIS 113 -15.988 15.011 -11.709 923 HD2 HIS 113 HD2 HIS 113 -12.271 16.847 -11.332 924 HE1 HIS 113 HE1 HIS 113 -16.448 17.309 -10.790 925 H HIS 114 H HIS 114 -12.823 12.245 -8.878 926 HA HIS 114 HA HIS 114 -15.675 11.994 -8.650 927 1HB HIS 114 1HB HIS 114 -14.146 9.700 -9.470 928 2HB HIS 114 2HB HIS 114 -14.763 9.430 -7.841 929 HD1 HIS 114 HD1 HIS 114 -17.246 8.997 -7.580 930 HD2 HIS 114 HD2 HIS 114 -16.161 10.068 -11.446 931 HE1 HIS 114 HE1 HIS 114 -19.296 8.633 -8.985 932 H HIS 115 H HIS 115 -12.687 10.672 -7.243 933 HA HIS 115 HA HIS 115 -11.626 11.056 -5.274 934 1HB HIS 115 1HB HIS 115 -11.597 13.306 -6.347 935 2HB HIS 115 2HB HIS 115 -13.044 13.723 -5.444 936 HD1 HIS 115 HD1 HIS 115 -11.202 15.672 -4.768 937 HD2 HIS 115 HD2 HIS 115 -10.757 11.901 -3.073 938 HE1 HIS 115 HE1 HIS 115 -9.748 16.006 -2.741 939 H HIS 116 H HIS 116 -12.765 9.476 -4.048 940 HA HIS 116 HA HIS 116 -14.235 10.648 -1.854 941 1HB HIS 116 1HB HIS 116 -16.016 10.221 -3.540 942 2HB HIS 116 2HB HIS 116 -15.576 8.516 -3.528 943 HD1 HIS 116 HD1 HIS 116 -16.816 11.160 -1.088 944 HD2 HIS 116 HD2 HIS 116 -16.947 7.050 -1.703 945 HE1 HIS 116 HE1 HIS 116 -18.353 10.260 0.688 946 H HIS 117 H HIS 117 -13.111 9.864 -0.226 947 HA HIS 117 HA HIS 117 -12.502 6.988 -0.236 948 1HB HIS 117 1HB HIS 117 -10.785 7.585 1.561 949 2HB HIS 117 2HB HIS 117 -10.411 8.067 -0.084 950 HD1 HIS 117 HD1 HIS 117 -9.506 10.361 -0.263 951 HD2 HIS 117 HD2 HIS 117 -11.949 9.926 3.077 952 HE1 HIS 117 HE1 HIS 117 -9.417 12.564 0.935 Start of MODEL 9 1 HA LEU 1 HA LEU 1 4.443 1.724 1.224 2 1HB LEU 1 1HB LEU 1 3.675 1.031 -0.961 3 2HB LEU 1 2HB LEU 1 2.674 0.322 0.282 4 HG LEU 1 HG LEU 1 1.837 2.740 -1.329 5 1HD1 LEU 1 1HD1 LEU 1 0.462 1.182 -2.631 6 2HD1 LEU 1 2HD1 LEU 1 1.212 -0.172 -1.788 7 3HD1 LEU 1 3HD1 LEU 1 2.185 0.865 -2.830 8 1HD2 LEU 1 1HD2 LEU 1 0.238 0.794 0.336 9 2HD2 LEU 1 2HD2 LEU 1 -0.404 2.168 -0.564 10 3HD2 LEU 1 3HD2 LEU 1 0.667 2.437 0.813 11 H ASN 2 H ASN 2 5.777 3.377 1.015 12 HA ASN 2 HA ASN 2 4.824 5.815 -0.302 13 1HB ASN 2 1HB ASN 2 6.009 5.816 1.976 14 2HB ASN 2 2HB ASN 2 7.482 5.468 1.076 15 1HD2 ASN 2 2HD2 ASN 2 6.759 7.796 2.677 16 2HD2 ASN 2 1HD2 ASN 2 6.889 9.166 1.627 17 H ILE 3 H ILE 3 5.482 6.408 -2.251 18 HA ILE 3 HA ILE 3 6.943 4.551 -3.863 19 HB ILE 3 HB ILE 3 5.033 5.817 -4.750 20 1HG1 ILE 3 1HG1 ILE 3 7.629 6.464 -6.164 21 2HG1 ILE 3 2HG1 ILE 3 6.745 4.948 -6.293 22 1HG2 ILE 3 1HG2 ILE 3 5.245 8.189 -5.290 23 2HG2 ILE 3 2HG2 ILE 3 6.824 8.231 -4.505 24 3HG2 ILE 3 3HG2 ILE 3 5.374 7.910 -3.553 25 1HD1 ILE 3 1HD1 ILE 3 6.358 6.384 -8.215 26 2HD1 ILE 3 2HD1 ILE 3 5.733 7.645 -7.153 27 3HD1 ILE 3 3HD1 ILE 3 4.870 6.114 -7.309 28 H GLU 4 H GLU 4 7.817 7.210 -1.928 29 HA GLU 4 HA GLU 4 9.995 8.212 -3.448 30 1HB GLU 4 1HB GLU 4 9.318 8.441 -0.517 31 2HB GLU 4 2HB GLU 4 10.660 9.288 -1.275 32 1HG GLU 4 1HG GLU 4 9.133 10.476 -2.726 33 2HG GLU 4 2HG GLU 4 7.772 9.572 -2.068 34 H ARG 5 H ARG 5 9.695 5.238 -2.075 35 HA ARG 5 HA ARG 5 12.622 5.004 -1.888 36 1HB ARG 5 1HB ARG 5 10.660 3.409 -0.239 37 2HB ARG 5 2HB ARG 5 12.413 3.299 -0.183 38 1HG ARG 5 1HG ARG 5 12.443 5.686 0.569 39 2HG ARG 5 2HG ARG 5 10.687 5.580 0.725 40 1HD ARG 5 1HD ARG 5 12.782 4.022 2.214 41 2HD ARG 5 2HD ARG 5 11.578 5.130 2.871 42 HE ARG 5 HE ARG 5 10.327 2.962 1.527 43 1HH1 ARG 5 1HH1 ARG 5 12.049 3.720 4.476 44 2HH1 ARG 5 2HH1 ARG 5 11.228 2.513 5.416 45 1HH2 ARG 5 1HH2 ARG 5 9.286 1.328 2.738 46 2HH2 ARG 5 2HH2 ARG 5 9.716 1.101 4.409 47 H LEU 6 H LEU 6 10.122 4.365 -3.756 48 HA LEU 6 HA LEU 6 10.269 1.565 -4.201 49 1HB LEU 6 1HB LEU 6 8.334 2.971 -4.852 50 2HB LEU 6 2HB LEU 6 9.327 3.739 -6.072 51 HG LEU 6 HG LEU 6 9.594 1.539 -7.189 52 1HD1 LEU 6 1HD1 LEU 6 9.224 0.095 -5.265 53 2HD1 LEU 6 2HD1 LEU 6 8.098 -0.292 -6.565 54 3HD1 LEU 6 3HD1 LEU 6 7.548 0.635 -5.170 55 1HD2 LEU 6 1HD2 LEU 6 7.914 3.102 -7.966 56 2HD2 LEU 6 2HD2 LEU 6 6.762 2.482 -6.782 57 3HD2 LEU 6 3HD2 LEU 6 7.316 1.447 -8.099 58 H THR 7 H THR 7 11.949 0.512 -5.022 59 HA THR 7 HA THR 7 13.518 1.854 -7.119 60 HB THR 7 HB THR 7 14.788 2.077 -5.084 61 HG1 THR 7 HG1 THR 7 15.701 0.295 -7.053 62 1HG2 THR 7 1HG2 THR 7 15.561 0.133 -3.802 63 2HG2 THR 7 2HG2 THR 7 14.597 -0.929 -4.832 64 3HG2 THR 7 3HG2 THR 7 13.801 0.253 -3.792 65 H THR 8 H THR 8 11.438 -0.449 -6.847 66 HA THR 8 HA THR 8 12.896 -2.173 -8.706 67 HB THR 8 HB THR 8 12.911 -3.397 -6.603 68 HG1 THR 8 HG1 THR 8 12.695 -4.894 -8.132 69 1HG2 THR 8 1HG2 THR 8 9.901 -3.133 -6.679 70 2HG2 THR 8 2HG2 THR 8 10.982 -2.383 -5.505 71 3HG2 THR 8 3HG2 THR 8 10.810 -4.138 -5.548 72 H LEU 9 H LEU 9 11.724 -3.028 -10.358 73 HA LEU 9 HA LEU 9 8.893 -2.232 -10.558 74 1HB LEU 9 1HB LEU 9 10.973 -2.124 -12.750 75 2HB LEU 9 2HB LEU 9 9.266 -1.788 -12.956 76 HG LEU 9 HG LEU 9 11.109 -0.177 -11.190 77 1HD1 LEU 9 1HD1 LEU 9 11.748 0.008 -13.538 78 2HD1 LEU 9 2HD1 LEU 9 11.036 1.509 -12.943 79 3HD1 LEU 9 3HD1 LEU 9 10.087 0.423 -13.960 80 1HD2 LEU 9 1HD2 LEU 9 8.740 -0.120 -10.536 81 2HD2 LEU 9 2HD2 LEU 9 8.309 0.378 -12.173 82 3HD2 LEU 9 3HD2 LEU 9 9.288 1.437 -11.158 83 H GLN 10 H GLN 10 10.585 -4.749 -9.981 84 HA GLN 10 HA GLN 10 10.444 -6.498 -12.150 85 1HB GLN 10 1HB GLN 10 11.813 -6.861 -10.108 86 2HB GLN 10 2HB GLN 10 10.342 -7.260 -9.231 87 1HG GLN 10 1HG GLN 10 11.558 -9.255 -9.932 88 2HG GLN 10 2HG GLN 10 9.960 -9.165 -10.676 89 1HE2 GLN 10 2HE2 GLN 10 9.791 -8.817 -12.885 90 2HE2 GLN 10 1HE2 GLN 10 11.141 -8.972 -13.960 91 HA PRO 11 HA PRO 11 6.125 -8.023 -10.221 92 1HB PRO 11 1HB PRO 11 5.267 -5.292 -9.378 93 2HB PRO 11 2HB PRO 11 4.867 -6.866 -8.676 94 1HG PRO 11 1HG PRO 11 6.627 -5.276 -7.484 95 2HG PRO 11 2HG PRO 11 6.897 -7.027 -7.557 96 1HD PRO 11 1HD PRO 11 8.169 -4.845 -9.145 97 2HD PRO 11 2HD PRO 11 8.881 -6.346 -8.517 98 H VAL 12 H VAL 12 6.830 -4.907 -11.683 99 HA VAL 12 HA VAL 12 4.434 -4.743 -13.228 100 HB VAL 12 HB VAL 12 7.079 -3.343 -13.686 101 1HG1 VAL 12 1HG1 VAL 12 5.752 -1.710 -14.949 102 2HG1 VAL 12 2HG1 VAL 12 4.316 -2.707 -14.717 103 3HG1 VAL 12 3HG1 VAL 12 5.668 -3.319 -15.667 104 1HG2 VAL 12 1HG2 VAL 12 6.196 -2.855 -11.479 105 2HG2 VAL 12 2HG2 VAL 12 4.631 -2.440 -12.177 106 3HG2 VAL 12 3HG2 VAL 12 6.044 -1.444 -12.525 107 H TRP 13 H TRP 13 7.758 -5.771 -13.858 108 HA TRP 13 HA TRP 13 7.393 -6.379 -16.592 109 1HB TRP 13 1HB TRP 13 9.408 -7.400 -14.588 110 2HB TRP 13 2HB TRP 13 9.477 -7.740 -16.313 111 HD1 TRP 13 HD1 TRP 13 11.002 -5.521 -13.942 112 HE1 TRP 13 HE1 TRP 13 11.871 -3.367 -15.049 113 HE3 TRP 13 HE3 TRP 13 8.496 -5.825 -18.385 114 HZ2 TRP 13 HZ2 TRP 13 11.537 -1.977 -17.490 115 HZ3 TRP 13 HZ3 TRP 13 8.826 -4.043 -20.052 116 HH2 TRP 13 HH2 TRP 13 10.313 -2.159 -19.610 117 H ASP 14 H ASP 14 6.981 -8.262 -13.651 118 HA ASP 14 HA ASP 14 6.552 -10.755 -14.974 119 1HB ASP 14 1HB ASP 14 7.247 -10.653 -12.620 120 2HB ASP 14 2HB ASP 14 5.724 -9.877 -12.197 121 H ARG 15 H ARG 15 4.437 -8.211 -13.743 122 HA ARG 15 HA ARG 15 1.985 -9.484 -14.422 123 1HB ARG 15 1HB ARG 15 2.346 -7.543 -12.819 124 2HB ARG 15 2HB ARG 15 2.506 -6.511 -14.231 125 1HG ARG 15 1HG ARG 15 0.241 -6.929 -14.878 126 2HG ARG 15 2HG ARG 15 0.063 -8.164 -13.628 127 1HD ARG 15 1HD ARG 15 0.524 -6.401 -11.924 128 2HD ARG 15 2HD ARG 15 0.492 -5.210 -13.218 129 HE ARG 15 HE ARG 15 -1.849 -5.664 -13.519 130 1HH1 ARG 15 1HH1 ARG 15 -0.400 -7.151 -10.695 131 2HH1 ARG 15 2HH1 ARG 15 -1.890 -7.241 -9.805 132 1HH2 ARG 15 1HH2 ARG 15 -3.836 -5.802 -12.346 133 2HH2 ARG 15 2HH2 ARG 15 -3.845 -6.539 -10.767 134 H TYR 16 H TYR 16 4.316 -7.599 -16.173 135 HA TYR 16 HA TYR 16 2.751 -7.103 -18.498 136 1HB TYR 16 1HB TYR 16 4.765 -5.808 -17.994 137 2HB TYR 16 2HB TYR 16 5.749 -7.260 -18.107 138 HD1 TYR 16 HD1 TYR 16 6.809 -7.750 -20.110 139 HD2 TYR 16 HD2 TYR 16 3.422 -5.180 -20.143 140 HE1 TYR 16 HE1 TYR 16 7.169 -7.312 -22.503 141 HE2 TYR 16 HE2 TYR 16 3.773 -4.741 -22.532 142 HH TYR 16 HH TYR 16 5.477 -4.834 -24.178 143 H ASP 17 H ASP 17 5.201 -9.560 -17.724 144 HA ASP 17 HA ASP 17 5.074 -10.975 -20.119 145 1HB ASP 17 1HB ASP 17 6.809 -11.373 -18.436 146 2HB ASP 17 2HB ASP 17 5.608 -12.053 -17.343 147 H THR 18 H THR 18 3.167 -11.340 -17.173 148 HA THR 18 HA THR 18 1.685 -13.587 -18.092 149 HB THR 18 HB THR 18 0.138 -12.908 -16.147 150 HG1 THR 18 HG1 THR 18 2.316 -11.335 -15.295 151 1HG2 THR 18 1HG2 THR 18 1.741 -13.750 -14.483 152 2HG2 THR 18 2HG2 THR 18 3.055 -13.488 -15.629 153 3HG2 THR 18 3HG2 THR 18 1.807 -14.684 -15.977 154 H GLN 19 H GLN 19 1.176 -10.108 -18.281 155 HA GLN 19 HA GLN 19 -1.540 -10.259 -19.102 156 1HB GLN 19 1HB GLN 19 -0.362 -8.276 -18.081 157 2HB GLN 19 2HB GLN 19 0.453 -8.071 -19.629 158 1HG GLN 19 1HG GLN 19 -1.691 -7.786 -20.718 159 2HG GLN 19 2HG GLN 19 -2.511 -7.989 -19.175 160 1HE2 GLN 19 2HE2 GLN 19 -0.363 -6.513 -17.793 161 2HE2 GLN 19 1HE2 GLN 19 -0.634 -4.845 -18.159 162 H ILE 20 H ILE 20 1.568 -10.021 -20.698 163 HA ILE 20 HA ILE 20 0.850 -9.663 -23.334 164 HB ILE 20 HB ILE 20 3.154 -10.940 -21.940 165 1HG1 ILE 20 1HG1 ILE 20 3.041 -8.525 -22.088 166 2HG1 ILE 20 2HG1 ILE 20 4.390 -9.120 -23.048 167 1HG2 ILE 20 1HG2 ILE 20 2.854 -10.971 -24.944 168 2HG2 ILE 20 2HG2 ILE 20 2.908 -12.382 -23.885 169 3HG2 ILE 20 3HG2 ILE 20 4.328 -11.351 -24.054 170 1HD1 ILE 20 1HD1 ILE 20 3.183 -7.320 -24.161 171 2HD1 ILE 20 2HD1 ILE 20 1.710 -8.290 -24.130 172 3HD1 ILE 20 3HD1 ILE 20 3.098 -8.824 -25.076 173 H HIS 21 H HIS 21 0.301 -12.408 -21.357 174 HA HIS 21 HA HIS 21 0.057 -14.464 -23.239 175 1HB HIS 21 1HB HIS 21 -1.408 -13.931 -20.654 176 2HB HIS 21 2HB HIS 21 -1.698 -15.374 -21.614 177 HD1 HIS 21 HD1 HIS 21 -0.602 -17.220 -20.391 178 HD2 HIS 21 HD2 HIS 21 1.749 -13.796 -20.504 179 HE1 HIS 21 HE1 HIS 21 1.605 -17.884 -19.386 180 H ASN 22 H ASN 22 -2.063 -11.794 -22.443 181 HA ASN 22 HA ASN 22 -4.070 -12.788 -24.344 182 1HB ASN 22 1HB ASN 22 -4.988 -12.148 -22.181 183 2HB ASN 22 2HB ASN 22 -4.223 -10.564 -22.297 184 1HD2 ASN 22 2HD2 ASN 22 -6.055 -9.353 -22.247 185 2HD2 ASN 22 1HD2 ASN 22 -7.240 -9.357 -23.522 186 H GLN 23 H GLN 23 -4.019 -12.004 -26.332 187 HA GLN 23 HA GLN 23 -3.300 -9.186 -26.724 188 1HB GLN 23 1HB GLN 23 -2.308 -11.529 -28.361 189 2HB GLN 23 2HB GLN 23 -2.174 -9.854 -28.875 190 1HG GLN 23 1HG GLN 23 -0.998 -10.870 -26.308 191 2HG GLN 23 2HG GLN 23 -0.125 -10.888 -27.838 192 1HE2 GLN 23 2HE2 GLN 23 -1.354 -8.928 -25.260 193 2HE2 GLN 23 1HE2 GLN 23 -0.538 -7.463 -25.706 194 H LYS 24 H LYS 24 -5.820 -10.749 -26.537 195 HA LYS 24 HA LYS 24 -6.803 -10.833 -29.287 196 1HB LYS 24 1HB LYS 24 -7.233 -12.676 -27.596 197 2HB LYS 24 2HB LYS 24 -8.298 -11.551 -26.762 198 1HG LYS 24 1HG LYS 24 -9.377 -11.371 -29.177 199 2HG LYS 24 2HG LYS 24 -8.671 -12.980 -29.333 200 1HD LYS 24 1HD LYS 24 -10.786 -13.448 -28.514 201 2HD LYS 24 2HD LYS 24 -9.816 -13.425 -27.042 202 1HE LYS 24 1HE LYS 24 -11.429 -11.098 -28.082 203 2HE LYS 24 2HE LYS 24 -11.976 -12.214 -26.835 204 1HZ LYS 24 1HZ LYS 24 -10.166 -11.499 -25.427 205 2HZ LYS 24 2HZ LYS 24 -11.079 -10.153 -25.910 206 3HZ LYS 24 3HZ LYS 24 -9.582 -10.464 -26.634 207 H ASP 25 H ASP 25 -6.433 -8.435 -27.177 208 HA ASP 25 HA ASP 25 -9.112 -7.299 -27.556 209 1HB ASP 25 1HB ASP 25 -6.936 -6.702 -25.559 210 2HB ASP 25 2HB ASP 25 -8.313 -5.629 -25.793 211 H ASN 26 H ASN 26 -9.302 -5.041 -28.082 212 HA ASN 26 HA ASN 26 -7.088 -3.608 -29.200 213 1HB ASN 26 1HB ASN 26 -7.449 -5.208 -31.029 214 2HB ASN 26 2HB ASN 26 -9.150 -4.762 -31.102 215 1HD2 ASN 26 2HD2 ASN 26 -5.894 -3.784 -31.813 216 2HD2 ASN 26 1HD2 ASN 26 -6.308 -2.468 -32.855 217 H ASP 27 H ASP 27 -10.566 -3.854 -29.938 218 HA ASP 27 HA ASP 27 -10.859 -1.053 -29.092 219 1HB ASP 27 1HB ASP 27 -11.455 -1.553 -31.470 220 2HB ASP 27 2HB ASP 27 -12.717 -2.634 -30.884 221 H ASN 28 H ASN 28 -11.029 -1.576 -26.917 222 HA ASN 28 HA ASN 28 -13.564 -2.810 -26.113 223 1HB ASN 28 1HB ASN 28 -10.859 -3.529 -24.943 224 2HB ASN 28 2HB ASN 28 -12.412 -4.105 -24.354 225 1HD2 ASN 28 2HD2 ASN 28 -13.509 -5.690 -25.502 226 2HD2 ASN 28 1HD2 ASN 28 -12.759 -6.609 -26.755 227 H GLU 29 H GLU 29 -13.234 -2.698 -23.395 228 HA GLU 29 HA GLU 29 -13.378 0.145 -22.912 229 1HB GLU 29 1HB GLU 29 -14.040 -0.569 -20.608 230 2HB GLU 29 2HB GLU 29 -15.059 -1.218 -21.885 231 1HG GLU 29 1HG GLU 29 -13.972 -3.359 -21.728 232 2HG GLU 29 2HG GLU 29 -12.813 -2.723 -20.559 233 H VAL 30 H VAL 30 -10.798 -1.043 -23.564 234 HA VAL 30 HA VAL 30 -9.235 -0.930 -21.134 235 HB VAL 30 HB VAL 30 -8.576 -2.550 -22.811 236 1HG1 VAL 30 1HG1 VAL 30 -8.165 -0.219 -24.675 237 2HG1 VAL 30 2HG1 VAL 30 -9.436 -1.436 -24.793 238 3HG1 VAL 30 3HG1 VAL 30 -7.750 -1.901 -25.015 239 1HG2 VAL 30 1HG2 VAL 30 -6.568 -0.305 -22.644 240 2HG2 VAL 30 2HG2 VAL 30 -6.209 -1.968 -23.111 241 3HG2 VAL 30 3HG2 VAL 30 -6.777 -1.613 -21.479 242 HA PRO 31 HA PRO 31 -8.476 3.463 -21.356 243 1HB PRO 31 1HB PRO 31 -5.985 2.788 -19.914 244 2HB PRO 31 2HB PRO 31 -7.295 3.876 -19.447 245 1HG PRO 31 1HG PRO 31 -6.957 1.508 -18.252 246 2HG PRO 31 2HG PRO 31 -8.570 2.175 -18.554 247 1HD PRO 31 1HD PRO 31 -7.100 0.032 -20.035 248 2HD PRO 31 2HD PRO 31 -8.824 0.141 -19.623 249 H VAL 32 H VAL 32 -7.860 4.183 -23.272 250 HA VAL 32 HA VAL 32 -6.554 4.870 -24.985 251 HB VAL 32 HB VAL 32 -4.306 3.656 -23.384 252 1HG1 VAL 32 1HG1 VAL 32 -3.734 3.636 -25.759 253 2HG1 VAL 32 2HG1 VAL 32 -2.780 4.843 -24.897 254 3HG1 VAL 32 3HG1 VAL 32 -4.154 5.343 -25.883 255 1HG2 VAL 32 1HG2 VAL 32 -5.333 5.600 -22.346 256 2HG2 VAL 32 2HG2 VAL 32 -5.127 6.522 -23.836 257 3HG2 VAL 32 3HG2 VAL 32 -3.713 5.990 -22.925 258 H HIS 33 H HIS 33 -6.705 4.025 -26.895 259 HA HIS 33 HA HIS 33 -5.710 1.378 -27.472 260 1HB HIS 33 1HB HIS 33 -7.902 0.664 -28.472 261 2HB HIS 33 2HB HIS 33 -7.869 0.724 -26.720 262 HD1 HIS 33 HD1 HIS 33 -9.876 1.715 -29.535 263 HD2 HIS 33 HD2 HIS 33 -9.138 3.244 -25.734 264 HE1 HIS 33 HE1 HIS 33 -11.777 3.290 -29.049 265 H GLN 34 H GLN 34 -6.258 0.869 -29.880 266 HA GLN 34 HA GLN 34 -5.730 1.358 -32.017 267 1HB GLN 34 1HB GLN 34 -6.669 4.114 -31.274 268 2HB GLN 34 2HB GLN 34 -6.067 3.720 -32.879 269 1HG GLN 34 1HG GLN 34 -7.832 1.967 -33.034 270 2HG GLN 34 2HG GLN 34 -8.484 2.566 -31.508 271 1HE2 GLN 34 2HE2 GLN 34 -8.000 3.230 -34.885 272 2HE2 GLN 34 1HE2 GLN 34 -9.092 4.575 -34.986 273 H VAL 35 H VAL 35 -4.756 4.307 -30.456 274 HA VAL 35 HA VAL 35 -2.756 5.180 -29.842 275 HB VAL 35 HB VAL 35 -1.626 2.443 -30.447 276 1HG1 VAL 35 1HG1 VAL 35 0.284 3.137 -29.084 277 2HG1 VAL 35 2HG1 VAL 35 -0.408 4.752 -28.937 278 3HG1 VAL 35 3HG1 VAL 35 0.106 4.154 -30.514 279 1HG2 VAL 35 1HG2 VAL 35 -1.666 2.153 -28.004 280 2HG2 VAL 35 2HG2 VAL 35 -3.281 2.368 -28.679 281 3HG2 VAL 35 3HG2 VAL 35 -2.489 3.707 -27.846 282 H SER 36 H SER 36 -1.552 6.572 -30.913 283 HA SER 36 HA SER 36 -0.304 5.796 -33.425 284 1HB SER 36 1HB SER 36 -2.488 6.922 -33.959 285 2HB SER 36 2HB SER 36 -1.887 8.365 -33.145 286 HG SER 36 HG SER 36 -0.831 7.116 -35.473 287 H TYR 37 H TYR 37 0.988 7.984 -34.125 288 HA TYR 37 HA TYR 37 3.224 8.023 -32.554 289 1HB TYR 37 1HB TYR 37 3.209 8.791 -34.848 290 2HB TYR 37 2HB TYR 37 2.182 10.154 -34.429 291 HD1 TYR 37 HD1 TYR 37 3.130 12.205 -33.840 292 HD2 TYR 37 HD2 TYR 37 5.559 8.712 -33.830 293 HE1 TYR 37 HE1 TYR 37 5.124 13.602 -33.514 294 HE2 TYR 37 HE2 TYR 37 7.563 10.101 -33.494 295 HH TYR 37 HH TYR 37 8.288 12.419 -33.878 296 H THR 38 H THR 38 0.615 10.474 -32.500 297 HA THR 38 HA THR 38 1.841 12.149 -30.605 298 HB THR 38 HB THR 38 -0.472 13.044 -30.208 299 HG1 THR 38 HG1 THR 38 -2.130 11.901 -30.847 300 1HG2 THR 38 1HG2 THR 38 0.966 13.939 -31.975 301 2HG2 THR 38 2HG2 THR 38 -0.727 13.955 -32.469 302 3HG2 THR 38 3HG2 THR 38 0.363 12.718 -33.093 303 H ASN 39 H ASN 39 -0.186 9.308 -30.237 304 HA ASN 39 HA ASN 39 -0.885 9.696 -27.531 305 1HB ASN 39 1HB ASN 39 -0.999 7.421 -29.433 306 2HB ASN 39 2HB ASN 39 -1.054 7.029 -27.719 307 1HD2 ASN 39 2HD2 ASN 39 -2.337 10.001 -29.046 308 2HD2 ASN 39 1HD2 ASN 39 -4.001 9.626 -28.755 309 H LEU 40 H LEU 40 1.867 8.039 -29.040 310 HA LEU 40 HA LEU 40 2.846 6.808 -26.730 311 1HB LEU 40 1HB LEU 40 4.210 7.792 -29.214 312 2HB LEU 40 2HB LEU 40 5.147 7.144 -27.882 313 HG LEU 40 HG LEU 40 3.648 5.064 -28.091 314 1HD1 LEU 40 1HD1 LEU 40 1.951 6.022 -29.530 315 2HD1 LEU 40 2HD1 LEU 40 2.741 4.654 -30.314 316 3HD1 LEU 40 3HD1 LEU 40 3.156 6.303 -30.786 317 1HD2 LEU 40 1HD2 LEU 40 5.081 4.147 -29.867 318 2HD2 LEU 40 2HD2 LEU 40 5.990 5.057 -28.661 319 3HD2 LEU 40 3HD2 LEU 40 5.641 5.779 -30.230 320 H ALA 41 H ALA 41 3.462 10.048 -28.022 321 HA ALA 41 HA ALA 41 5.299 10.851 -26.034 322 1HB ALA 41 1HB ALA 41 5.047 12.027 -28.171 323 2HB ALA 41 2HB ALA 41 4.864 13.123 -26.801 324 3HB ALA 41 3HB ALA 41 3.440 12.567 -27.680 325 H GLU 42 H GLU 42 1.794 10.905 -26.207 326 HA GLU 42 HA GLU 42 1.299 12.500 -23.936 327 1HB GLU 42 1HB GLU 42 -0.390 10.296 -25.134 328 2HB GLU 42 2HB GLU 42 -0.956 11.475 -23.963 329 1HG GLU 42 1HG GLU 42 0.030 12.075 -26.740 330 2HG GLU 42 2HG GLU 42 -1.654 12.048 -26.217 331 H MET 43 H MET 43 1.526 8.966 -24.325 332 HA MET 43 HA MET 43 1.061 8.461 -21.562 333 1HB MET 43 1HB MET 43 1.882 6.777 -23.877 334 2HB MET 43 2HB MET 43 2.156 6.154 -22.257 335 1HG MET 43 1HG MET 43 0.090 5.301 -22.681 336 2HG MET 43 2HG MET 43 -0.350 6.822 -21.908 337 1HE MET 43 1HE MET 43 -0.681 5.855 -26.395 338 2HE MET 43 2HE MET 43 -0.334 4.687 -25.118 339 3HE MET 43 3HE MET 43 0.877 5.890 -25.567 340 H VAL 44 H VAL 44 4.025 8.764 -23.502 341 HA VAL 44 HA VAL 44 5.854 7.856 -21.601 342 HB VAL 44 HB VAL 44 6.164 10.002 -23.710 343 1HG1 VAL 44 1HG1 VAL 44 8.316 8.754 -22.001 344 2HG1 VAL 44 2HG1 VAL 44 7.775 10.432 -21.928 345 3HG1 VAL 44 3HG1 VAL 44 8.583 9.829 -23.375 346 1HG2 VAL 44 1HG2 VAL 44 5.783 7.732 -24.537 347 2HG2 VAL 44 2HG2 VAL 44 7.131 7.145 -23.563 348 3HG2 VAL 44 3HG2 VAL 44 7.426 8.267 -24.890 349 H GLY 45 H GLY 45 4.474 11.081 -22.023 350 1HA GLY 45 1HA GLY 45 5.950 12.411 -20.053 351 2HA GLY 45 2HA GLY 45 4.374 12.906 -20.649 352 H GLU 46 H GLU 46 2.798 10.761 -19.818 353 HA GLU 46 HA GLU 46 2.468 11.471 -17.075 354 1HB GLU 46 1HB GLU 46 0.566 9.901 -17.094 355 2HB GLU 46 2HB GLU 46 0.507 11.045 -18.424 356 1HG GLU 46 1HG GLU 46 1.443 9.281 -19.899 357 2HG GLU 46 2HG GLU 46 1.309 8.153 -18.550 358 H MET 47 H MET 47 3.789 8.666 -18.759 359 HA MET 47 HA MET 47 4.163 6.958 -16.582 360 1HB MET 47 1HB MET 47 5.909 7.404 -19.007 361 2HB MET 47 2HB MET 47 6.182 6.123 -17.843 362 1HG MET 47 1HG MET 47 3.618 6.411 -19.376 363 2HG MET 47 2HG MET 47 4.997 5.496 -19.976 364 1HE MET 47 1HE MET 47 2.857 5.804 -16.569 365 2HE MET 47 2HE MET 47 2.027 4.259 -16.729 366 3HE MET 47 3HE MET 47 1.827 5.502 -17.965 367 H ASN 48 H ASN 48 6.146 9.622 -17.779 368 HA ASN 48 HA ASN 48 8.308 9.381 -16.024 369 1HB ASN 48 1HB ASN 48 7.122 11.948 -17.115 370 2HB ASN 48 2HB ASN 48 8.731 11.770 -16.434 371 1HD2 ASN 48 2HD2 ASN 48 8.921 9.085 -17.803 372 2HD2 ASN 48 1HD2 ASN 48 9.313 9.478 -19.435 373 H LYS 49 H LYS 49 5.353 11.317 -15.723 374 HA LYS 49 HA LYS 49 6.005 12.567 -13.306 375 1HB LYS 49 1HB LYS 49 3.285 11.963 -14.475 376 2HB LYS 49 2HB LYS 49 3.588 13.082 -13.151 377 1HG LYS 49 1HG LYS 49 4.704 13.349 -15.937 378 2HG LYS 49 2HG LYS 49 3.306 14.219 -15.304 379 1HD LYS 49 1HD LYS 49 4.687 15.302 -13.642 380 2HD LYS 49 2HD LYS 49 6.085 14.349 -14.144 381 1HE LYS 49 1HE LYS 49 6.186 16.604 -15.057 382 2HE LYS 49 2HE LYS 49 6.025 15.409 -16.338 383 1HZ LYS 49 1HZ LYS 49 3.734 16.933 -15.227 384 2HZ LYS 49 2HZ LYS 49 3.749 15.963 -16.624 385 3HZ LYS 49 3HZ LYS 49 4.619 17.421 -16.591 386 H LEU 50 H LEU 50 4.468 9.476 -13.939 387 HA LEU 50 HA LEU 50 3.365 9.085 -11.378 388 1HB LEU 50 1HB LEU 50 4.204 7.097 -13.480 389 2HB LEU 50 2HB LEU 50 3.352 6.656 -12.013 390 HG LEU 50 HG LEU 50 2.307 8.442 -14.213 391 1HD1 LEU 50 1HD1 LEU 50 2.330 6.091 -14.811 392 2HD1 LEU 50 2HD1 LEU 50 0.677 6.640 -14.533 393 3HD1 LEU 50 3HD1 LEU 50 1.508 5.683 -13.306 394 1HD2 LEU 50 1HD2 LEU 50 0.207 8.443 -12.949 395 2HD2 LEU 50 2HD2 LEU 50 1.514 9.205 -12.039 396 3HD2 LEU 50 3HD2 LEU 50 1.000 7.566 -11.639 397 H LEU 51 H LEU 51 6.535 8.143 -12.705 398 HA LEU 51 HA LEU 51 7.217 7.143 -10.023 399 1HB LEU 51 1HB LEU 51 9.136 5.978 -11.351 400 2HB LEU 51 2HB LEU 51 7.532 5.279 -11.306 401 HG LEU 51 HG LEU 51 7.080 6.266 -13.546 402 1HD1 LEU 51 1HD1 LEU 51 8.956 7.072 -14.888 403 2HD1 LEU 51 2HD1 LEU 51 10.022 6.946 -13.488 404 3HD1 LEU 51 3HD1 LEU 51 8.693 8.105 -13.483 405 1HD2 LEU 51 1HD2 LEU 51 9.501 4.474 -13.387 406 2HD2 LEU 51 2HD2 LEU 51 8.429 4.659 -14.776 407 3HD2 LEU 51 3HD2 LEU 51 7.821 3.951 -13.280 408 H GLU 52 H GLU 52 7.421 9.882 -11.381 409 HA GLU 52 HA GLU 52 10.082 10.666 -11.517 410 1HB GLU 52 1HB GLU 52 7.496 11.976 -11.212 411 2HB GLU 52 2HB GLU 52 8.801 12.853 -10.433 412 1HG GLU 52 1HG GLU 52 8.793 11.953 -13.302 413 2HG GLU 52 2HG GLU 52 8.404 13.578 -12.743 414 HA PRO 53 HA PRO 53 10.114 11.504 -6.796 415 1HB PRO 53 1HB PRO 53 8.115 10.647 -5.232 416 2HB PRO 53 2HB PRO 53 8.010 12.177 -6.112 417 1HG PRO 53 1HG PRO 53 6.827 9.513 -6.799 418 2HG PRO 53 2HG PRO 53 6.083 11.121 -6.876 419 1HD PRO 53 1HD PRO 53 7.124 9.840 -9.050 420 2HD PRO 53 2HD PRO 53 7.039 11.606 -8.900 421 H SER 54 H SER 54 9.842 8.726 -8.410 422 HA SER 54 HA SER 54 10.263 6.905 -6.170 423 1HB SER 54 1HB SER 54 8.729 6.193 -7.943 424 2HB SER 54 2HB SER 54 10.001 6.389 -9.143 425 HG SER 54 HG SER 54 9.877 4.516 -7.030 426 H GLN 55 H GLN 55 12.117 5.408 -6.244 427 HA GLN 55 HA GLN 55 14.520 6.925 -6.535 428 1HB GLN 55 1HB GLN 55 14.084 4.023 -5.810 429 2HB GLN 55 2HB GLN 55 15.630 4.849 -5.724 430 1HG GLN 55 1HG GLN 55 13.192 5.668 -4.168 431 2HG GLN 55 2HG GLN 55 14.453 4.603 -3.553 432 1HE2 GLN 55 2HE2 GLN 55 15.061 5.956 -1.921 433 2HE2 GLN 55 1HE2 GLN 55 15.886 7.454 -2.182 434 H VAL 56 H VAL 56 12.837 4.603 -8.465 435 HA VAL 56 HA VAL 56 15.036 3.599 -9.912 436 HB VAL 56 HB VAL 56 13.360 2.895 -11.625 437 1HG1 VAL 56 1HG1 VAL 56 13.931 1.436 -9.790 438 2HG1 VAL 56 2HG1 VAL 56 12.210 1.300 -10.147 439 3HG1 VAL 56 3HG1 VAL 56 12.748 2.232 -8.751 440 1HG2 VAL 56 1HG2 VAL 56 11.399 4.220 -9.753 441 2HG2 VAL 56 2HG2 VAL 56 10.974 3.153 -11.093 442 3HG2 VAL 56 3HG2 VAL 56 11.756 4.702 -11.412 443 H HIS 57 H HIS 57 13.091 6.478 -10.286 444 HA HIS 57 HA HIS 57 13.009 8.124 -11.879 445 1HB HIS 57 1HB HIS 57 15.879 7.696 -11.216 446 2HB HIS 57 2HB HIS 57 15.498 8.786 -12.547 447 HD1 HIS 57 HD1 HIS 57 14.047 10.903 -11.944 448 HD2 HIS 57 HD2 HIS 57 15.445 8.709 -8.699 449 HE1 HIS 57 HE1 HIS 57 13.784 12.407 -9.944 450 H LEU 58 H LEU 58 12.171 6.151 -13.228 451 HA LEU 58 HA LEU 58 13.929 5.213 -15.277 452 1HB LEU 58 1HB LEU 58 11.988 3.959 -14.213 453 2HB LEU 58 2HB LEU 58 10.937 4.939 -15.217 454 HG LEU 58 HG LEU 58 11.888 4.009 -17.232 455 1HD1 LEU 58 1HD1 LEU 58 14.200 3.780 -16.435 456 2HD1 LEU 58 2HD1 LEU 58 13.606 2.290 -17.165 457 3HD1 LEU 58 3HD1 LEU 58 13.706 2.431 -15.410 458 1HD2 LEU 58 1HD2 LEU 58 11.295 1.864 -15.208 459 2HD2 LEU 58 2HD2 LEU 58 11.212 1.689 -16.961 460 3HD2 LEU 58 3HD2 LEU 58 10.096 2.773 -16.131 461 H LYS 59 H LYS 59 14.334 6.091 -17.162 462 HA LYS 59 HA LYS 59 12.717 8.396 -18.019 463 1HB LYS 59 1HB LYS 59 15.575 7.652 -18.682 464 2HB LYS 59 2HB LYS 59 14.736 9.076 -19.285 465 1HG LYS 59 1HG LYS 59 14.628 10.040 -17.124 466 2HG LYS 59 2HG LYS 59 15.135 8.535 -16.355 467 1HD LYS 59 1HD LYS 59 16.845 10.156 -18.240 468 2HD LYS 59 2HD LYS 59 16.933 10.246 -16.480 469 1HE LYS 59 1HE LYS 59 17.568 7.923 -16.347 470 2HE LYS 59 2HE LYS 59 17.352 7.730 -18.085 471 1HZ LYS 59 1HZ LYS 59 19.176 9.222 -18.482 472 2HZ LYS 59 2HZ LYS 59 19.689 7.989 -17.436 473 3HZ LYS 59 3HZ LYS 59 19.351 9.529 -16.823 474 H PHE 60 H PHE 60 12.156 8.609 -20.232 475 HA PHE 60 HA PHE 60 12.346 6.123 -21.793 476 1HB PHE 60 1HB PHE 60 9.861 7.822 -21.463 477 2HB PHE 60 2HB PHE 60 10.007 6.421 -22.516 478 HD1 PHE 60 HD1 PHE 60 10.230 4.163 -21.534 479 HD2 PHE 60 HD2 PHE 60 9.457 7.594 -19.145 480 HE1 PHE 60 HE1 PHE 60 9.485 2.708 -19.695 481 HE2 PHE 60 HE2 PHE 60 8.713 6.150 -17.299 482 HZ PHE 60 HZ PHE 60 8.729 3.702 -17.573 483 H GLU 61 H GLU 61 13.080 6.448 -23.806 484 HA GLU 61 HA GLU 61 12.749 9.137 -24.973 485 1HB GLU 61 1HB GLU 61 15.076 7.314 -24.831 486 2HB GLU 61 2HB GLU 61 14.813 8.092 -26.382 487 1HG GLU 61 1HG GLU 61 14.942 9.630 -23.812 488 2HG GLU 61 2HG GLU 61 16.371 9.253 -24.777 489 H LEU 62 H LEU 62 11.763 9.258 -26.919 490 HA LEU 62 HA LEU 62 10.828 6.778 -28.131 491 1HB LEU 62 1HB LEU 62 9.227 8.624 -27.905 492 2HB LEU 62 2HB LEU 62 10.263 9.653 -28.878 493 HG LEU 62 HG LEU 62 9.924 8.072 -30.809 494 1HD1 LEU 62 1HD1 LEU 62 9.330 6.090 -29.505 495 2HD1 LEU 62 2HD1 LEU 62 8.079 6.485 -30.683 496 3HD1 LEU 62 3HD1 LEU 62 7.840 6.875 -28.979 497 1HD2 LEU 62 1HD2 LEU 62 7.435 9.306 -29.621 498 2HD2 LEU 62 2HD2 LEU 62 7.668 8.862 -31.311 499 3HD2 LEU 62 3HD2 LEU 62 8.644 10.143 -30.595 500 H HIS 63 H HIS 63 12.116 5.785 -29.518 501 HA HIS 63 HA HIS 63 13.486 7.464 -31.485 502 1HB HIS 63 1HB HIS 63 14.699 5.223 -29.890 503 2HB HIS 63 2HB HIS 63 15.353 5.692 -31.461 504 HD1 HIS 63 HD1 HIS 63 16.782 7.775 -31.550 505 HD2 HIS 63 HD2 HIS 63 14.836 7.283 -27.915 506 HE1 HIS 63 HE1 HIS 63 17.706 9.567 -30.040 507 H ASP 64 H ASP 64 13.706 6.615 -33.510 508 HA ASP 64 HA ASP 64 11.413 4.924 -34.082 509 1HB ASP 64 1HB ASP 64 11.449 5.927 -36.265 510 2HB ASP 64 2HB ASP 64 11.612 7.191 -35.059 511 H LYS 65 H LYS 65 11.582 3.676 -36.149 512 HA LYS 65 HA LYS 65 14.154 2.394 -36.600 513 1HB LYS 65 1HB LYS 65 13.151 1.058 -34.811 514 2HB LYS 65 2HB LYS 65 11.660 0.906 -35.728 515 1HG LYS 65 1HG LYS 65 12.811 -0.417 -37.411 516 2HG LYS 65 2HG LYS 65 14.332 -0.230 -36.532 517 1HD LYS 65 1HD LYS 65 13.487 -1.480 -34.673 518 2HD LYS 65 2HD LYS 65 11.859 -1.498 -35.356 519 1HE LYS 65 1HE LYS 65 12.599 -2.885 -37.183 520 2HE LYS 65 2HE LYS 65 14.270 -2.784 -36.627 521 1HZ LYS 65 1HZ LYS 65 13.765 -4.061 -34.724 522 2HZ LYS 65 2HZ LYS 65 13.042 -4.873 -36.025 523 3HZ LYS 65 3HZ LYS 65 12.095 -3.942 -34.974 524 H LEU 66 H LEU 66 13.760 3.724 -38.500 525 HA LEU 66 HA LEU 66 13.378 3.917 -40.724 526 1HB LEU 66 1HB LEU 66 13.661 1.346 -40.588 527 2HB LEU 66 2HB LEU 66 11.919 1.288 -40.749 528 HG LEU 66 HG LEU 66 13.720 2.628 -42.771 529 1HD1 LEU 66 1HD1 LEU 66 13.464 0.610 -44.122 530 2HD1 LEU 66 2HD1 LEU 66 12.596 -0.171 -42.800 531 3HD1 LEU 66 3HD1 LEU 66 14.294 0.265 -42.604 532 1HD2 LEU 66 1HD2 LEU 66 10.861 1.670 -42.955 533 2HD2 LEU 66 2HD2 LEU 66 11.796 2.413 -44.254 534 3HD2 LEU 66 3HD2 LEU 66 11.379 3.350 -42.820 535 H ASN 67 H ASN 67 10.470 2.017 -39.993 536 HA ASN 67 HA ASN 67 8.863 4.447 -40.466 537 1HB ASN 67 1HB ASN 67 8.626 2.672 -42.208 538 2HB ASN 67 2HB ASN 67 8.082 1.556 -40.967 539 1HD2 ASN 67 2HD2 ASN 67 6.936 2.966 -43.458 540 2HD2 ASN 67 1HD2 ASN 67 5.363 3.475 -42.935 541 H GLU 68 H GLU 68 9.597 1.790 -38.408 542 HA GLU 68 HA GLU 68 7.311 2.119 -36.680 543 1HB GLU 68 1HB GLU 68 9.871 0.534 -36.407 544 2HB GLU 68 2HB GLU 68 8.599 0.543 -35.194 545 1HG GLU 68 1HG GLU 68 8.212 -0.309 -38.048 546 2HG GLU 68 2HG GLU 68 8.545 -1.410 -36.713 547 H TYR 69 H TYR 69 7.646 2.575 -34.350 548 HA TYR 69 HA TYR 69 10.019 4.003 -33.586 549 1HB TYR 69 1HB TYR 69 8.607 5.968 -32.716 550 2HB TYR 69 2HB TYR 69 8.951 5.922 -34.440 551 HD1 TYR 69 HD1 TYR 69 6.350 5.644 -31.882 552 HD2 TYR 69 HD2 TYR 69 7.176 5.466 -36.048 553 HE1 TYR 69 HE1 TYR 69 3.945 5.821 -32.361 554 HE2 TYR 69 HE2 TYR 69 4.775 5.645 -36.540 555 HH TYR 69 HH TYR 69 2.626 5.149 -35.389 556 H TYR 70 H TYR 70 10.469 3.621 -31.497 557 HA TYR 70 HA TYR 70 8.318 2.443 -29.888 558 1HB TYR 70 1HB TYR 70 9.860 0.677 -29.121 559 2HB TYR 70 2HB TYR 70 9.562 0.594 -30.853 560 HD1 TYR 70 HD1 TYR 70 11.344 0.700 -32.394 561 HD2 TYR 70 HD2 TYR 70 12.041 1.656 -28.308 562 HE1 TYR 70 HE1 TYR 70 13.766 0.699 -32.811 563 HE2 TYR 70 HE2 TYR 70 14.463 1.666 -28.716 564 HH TYR 70 HH TYR 70 16.072 0.847 -30.222 565 H VAL 71 H VAL 71 9.103 2.090 -27.579 566 HA VAL 71 HA VAL 71 10.303 4.625 -26.723 567 HB VAL 71 HB VAL 71 8.642 2.672 -25.119 568 1HG1 VAL 71 1HG1 VAL 71 8.497 4.475 -23.475 569 2HG1 VAL 71 2HG1 VAL 71 9.570 5.466 -24.466 570 3HG1 VAL 71 3HG1 VAL 71 10.168 3.973 -23.738 571 1HG2 VAL 71 1HG2 VAL 71 6.857 4.347 -25.304 572 2HG2 VAL 71 2HG2 VAL 71 7.319 3.695 -26.876 573 3HG2 VAL 71 3HG2 VAL 71 7.872 5.298 -26.389 574 H LYS 72 H LYS 72 12.313 4.606 -26.061 575 HA LYS 72 HA LYS 72 13.644 2.154 -25.264 576 1HB LYS 72 1HB LYS 72 14.680 4.983 -25.312 577 2HB LYS 72 2HB LYS 72 15.642 3.528 -25.109 578 1HG LYS 72 1HG LYS 72 14.924 2.812 -27.377 579 2HG LYS 72 2HG LYS 72 14.132 4.381 -27.562 580 1HD LYS 72 1HD LYS 72 16.246 4.619 -28.558 581 2HD LYS 72 2HD LYS 72 16.363 5.419 -26.994 582 1HE LYS 72 1HE LYS 72 18.282 4.202 -26.926 583 2HE LYS 72 2HE LYS 72 17.179 3.034 -26.226 584 1HZ LYS 72 1HZ LYS 72 17.077 1.825 -28.218 585 2HZ LYS 72 2HZ LYS 72 18.722 2.206 -28.031 586 3HZ LYS 72 3HZ LYS 72 17.768 3.084 -29.125 587 H VAL 73 H VAL 73 13.362 1.448 -23.248 588 HA VAL 73 HA VAL 73 12.772 3.303 -21.096 589 HB VAL 73 HB VAL 73 13.168 0.300 -21.012 590 1HG1 VAL 73 1HG1 VAL 73 13.509 1.317 -18.842 591 2HG1 VAL 73 2HG1 VAL 73 11.988 0.425 -18.865 592 3HG1 VAL 73 3HG1 VAL 73 11.981 2.185 -18.984 593 1HG2 VAL 73 1HG2 VAL 73 10.722 0.166 -20.947 594 2HG2 VAL 73 2HG2 VAL 73 11.296 0.902 -22.444 595 3HG2 VAL 73 3HG2 VAL 73 10.623 1.914 -21.164 596 H ILE 74 H ILE 74 14.379 4.346 -20.135 597 HA ILE 74 HA ILE 74 17.008 3.024 -19.970 598 HB ILE 74 HB ILE 74 16.427 5.995 -19.943 599 1HG1 ILE 74 1HG1 ILE 74 17.618 4.281 -22.139 600 2HG1 ILE 74 2HG1 ILE 74 15.984 4.936 -22.143 601 1HG2 ILE 74 1HG2 ILE 74 18.425 5.438 -18.688 602 2HG2 ILE 74 2HG2 ILE 74 18.868 6.224 -20.204 603 3HG2 ILE 74 3HG2 ILE 74 19.037 4.478 -20.037 604 1HD1 ILE 74 1HD1 ILE 74 16.902 7.202 -22.162 605 2HD1 ILE 74 2HD1 ILE 74 17.454 6.254 -23.541 606 3HD1 ILE 74 3HD1 ILE 74 18.535 6.534 -22.175 607 H GLU 75 H GLU 75 17.346 2.257 -18.015 608 HA GLU 75 HA GLU 75 15.944 3.296 -15.716 609 1HB GLU 75 1HB GLU 75 16.486 0.838 -16.226 610 2HB GLU 75 2HB GLU 75 18.125 1.205 -15.717 611 1HG GLU 75 1HG GLU 75 15.815 1.795 -13.912 612 2HG GLU 75 2HG GLU 75 16.454 0.157 -14.045 613 H ASP 76 H ASP 76 16.773 4.575 -14.123 614 HA ASP 76 HA ASP 76 18.819 6.330 -14.961 615 1HB ASP 76 1HB ASP 76 16.998 7.074 -13.519 616 2HB ASP 76 2HB ASP 76 17.602 6.060 -12.214 617 H SER 77 H SER 77 18.831 3.857 -12.399 618 HA SER 77 HA SER 77 21.384 4.609 -11.410 619 1HB SER 77 1HB SER 77 19.671 3.410 -10.072 620 2HB SER 77 2HB SER 77 19.939 1.971 -11.058 621 HG SER 77 HG SER 77 22.126 3.208 -9.792 622 H THR 78 H THR 78 20.362 1.824 -13.406 623 HA THR 78 HA THR 78 23.003 0.882 -13.826 624 HB THR 78 HB THR 78 21.921 -0.319 -15.824 625 HG1 THR 78 HG1 THR 78 19.511 0.508 -14.550 626 1HG2 THR 78 1HG2 THR 78 20.779 -1.916 -14.356 627 2HG2 THR 78 2HG2 THR 78 20.798 -0.732 -13.048 628 3HG2 THR 78 3HG2 THR 78 22.314 -1.393 -13.662 629 H ASN 79 H ASN 79 21.024 3.243 -15.430 630 HA ASN 79 HA ASN 79 21.432 4.788 -17.032 631 1HB ASN 79 1HB ASN 79 23.464 5.164 -15.564 632 2HB ASN 79 2HB ASN 79 24.367 4.162 -16.695 633 1HD2 ASN 79 2HD2 ASN 79 21.805 6.393 -17.597 634 2HD2 ASN 79 1HD2 ASN 79 22.820 7.501 -18.459 635 H GLU 80 H GLU 80 20.790 2.238 -17.878 636 HA GLU 80 HA GLU 80 21.969 2.344 -20.550 637 1HB GLU 80 1HB GLU 80 22.152 -0.077 -20.690 638 2HB GLU 80 2HB GLU 80 23.136 0.525 -19.364 639 1HG GLU 80 1HG GLU 80 21.472 -0.188 -17.757 640 2HG GLU 80 2HG GLU 80 20.398 -0.696 -19.060 641 H VAL 81 H VAL 81 20.609 1.174 -22.158 642 HA VAL 81 HA VAL 81 17.797 1.599 -21.591 643 HB VAL 81 HB VAL 81 19.044 0.459 -24.105 644 1HG1 VAL 81 1HG1 VAL 81 16.343 1.704 -23.592 645 2HG1 VAL 81 2HG1 VAL 81 16.667 0.000 -23.910 646 3HG1 VAL 81 3HG1 VAL 81 16.953 1.201 -25.170 647 1HG2 VAL 81 1HG2 VAL 81 18.867 2.734 -25.023 648 2HG2 VAL 81 2HG2 VAL 81 19.975 2.658 -23.655 649 3HG2 VAL 81 3HG2 VAL 81 18.358 3.321 -23.440 650 H ILE 82 H ILE 82 17.021 0.073 -20.233 651 HA ILE 82 HA ILE 82 17.979 -2.633 -20.318 652 HB ILE 82 HB ILE 82 16.358 -3.036 -18.481 653 1HG1 ILE 82 1HG1 ILE 82 15.788 -0.072 -18.718 654 2HG1 ILE 82 2HG1 ILE 82 14.679 -1.339 -19.223 655 1HG2 ILE 82 1HG2 ILE 82 18.624 -2.365 -17.984 656 2HG2 ILE 82 2HG2 ILE 82 17.518 -1.603 -16.842 657 3HG2 ILE 82 3HG2 ILE 82 18.193 -0.664 -18.172 658 1HD1 ILE 82 1HD1 ILE 82 15.647 -0.837 -16.420 659 2HD1 ILE 82 2HD1 ILE 82 14.585 -2.154 -16.912 660 3HD1 ILE 82 3HD1 ILE 82 14.043 -0.483 -17.061 661 H ARG 83 H ARG 83 15.284 -0.918 -21.646 662 HA ARG 83 HA ARG 83 14.364 -3.359 -22.925 663 1HB ARG 83 1HB ARG 83 13.058 -2.418 -20.621 664 2HB ARG 83 2HB ARG 83 12.050 -1.905 -21.966 665 1HG ARG 83 1HG ARG 83 11.241 -4.010 -21.274 666 2HG ARG 83 2HG ARG 83 12.115 -4.286 -22.782 667 1HD ARG 83 1HD ARG 83 14.101 -4.934 -21.430 668 2HD ARG 83 2HD ARG 83 13.105 -4.804 -19.984 669 HE ARG 83 HE ARG 83 11.678 -6.545 -21.355 670 1HH1 ARG 83 1HH1 ARG 83 15.147 -6.359 -20.935 671 2HH1 ARG 83 2HH1 ARG 83 15.385 -8.074 -21.097 672 1HH2 ARG 83 1HH2 ARG 83 11.992 -8.803 -21.566 673 2HH2 ARG 83 2HH2 ARG 83 13.597 -9.456 -21.458 674 H GLU 84 H GLU 84 13.686 -2.980 -24.944 675 HA GLU 84 HA GLU 84 12.942 -0.218 -25.660 676 1HB GLU 84 1HB GLU 84 14.098 -2.366 -27.451 677 2HB GLU 84 2HB GLU 84 13.621 -0.755 -27.969 678 1HG GLU 84 1HG GLU 84 15.311 0.179 -26.395 679 2HG GLU 84 2HG GLU 84 15.847 -1.470 -26.081 680 H ILE 85 H ILE 85 10.794 -0.148 -25.575 681 HA ILE 85 HA ILE 85 9.269 -2.570 -26.180 682 HB ILE 85 HB ILE 85 8.378 -0.011 -24.845 683 1HG1 ILE 85 1HG1 ILE 85 9.041 -2.715 -23.655 684 2HG1 ILE 85 2HG1 ILE 85 10.045 -1.274 -23.534 685 1HG2 ILE 85 1HG2 ILE 85 6.969 -2.662 -25.128 686 2HG2 ILE 85 2HG2 ILE 85 6.533 -1.158 -25.941 687 3HG2 ILE 85 3HG2 ILE 85 6.393 -1.289 -24.186 688 1HD1 ILE 85 1HD1 ILE 85 8.285 -0.154 -22.272 689 2HD1 ILE 85 2HD1 ILE 85 8.792 -1.652 -21.491 690 3HD1 ILE 85 3HD1 ILE 85 7.278 -1.596 -22.397 691 HA PRO 86 HA PRO 86 8.059 -0.659 -30.086 692 1HB PRO 86 1HB PRO 86 6.658 -2.802 -30.980 693 2HB PRO 86 2HB PRO 86 8.422 -2.726 -31.048 694 1HG PRO 86 1HG PRO 86 6.662 -4.073 -29.034 695 2HG PRO 86 2HG PRO 86 8.119 -4.695 -29.829 696 1HD PRO 86 1HD PRO 86 8.167 -3.692 -27.325 697 2HD PRO 86 2HD PRO 86 9.536 -3.503 -28.439 698 HA PRO 87 HA PRO 87 4.157 1.090 -29.208 699 1HB PRO 87 1HB PRO 87 2.853 0.768 -31.654 700 2HB PRO 87 2HB PRO 87 3.916 2.105 -31.215 701 1HG PRO 87 1HG PRO 87 4.514 -0.357 -32.790 702 2HG PRO 87 2HG PRO 87 5.115 1.298 -33.013 703 1HD PRO 87 1HD PRO 87 6.645 -0.605 -31.918 704 2HD PRO 87 2HD PRO 87 6.708 1.074 -31.341 705 H LYS 88 H LYS 88 3.922 -2.001 -30.967 706 HA LYS 88 HA LYS 88 1.224 -2.431 -30.044 707 1HB LYS 88 1HB LYS 88 1.376 -4.582 -31.231 708 2HB LYS 88 2HB LYS 88 1.835 -3.228 -32.249 709 1HG LYS 88 1HG LYS 88 4.199 -3.770 -31.883 710 2HG LYS 88 2HG LYS 88 3.714 -5.151 -30.898 711 1HD LYS 88 1HD LYS 88 2.962 -4.750 -33.793 712 2HD LYS 88 2HD LYS 88 4.285 -5.770 -33.232 713 1HE LYS 88 1HE LYS 88 2.711 -7.171 -32.011 714 2HE LYS 88 2HE LYS 88 1.380 -6.126 -32.501 715 1HZ LYS 88 1HZ LYS 88 1.651 -8.206 -33.838 716 2HZ LYS 88 2HZ LYS 88 3.101 -7.568 -34.442 717 3HZ LYS 88 3HZ LYS 88 1.633 -6.776 -34.749 718 H ARG 89 H ARG 89 3.945 -2.517 -28.366 719 HA ARG 89 HA ARG 89 2.968 -4.719 -26.652 720 1HB ARG 89 1HB ARG 89 5.789 -3.741 -27.106 721 2HB ARG 89 2HB ARG 89 5.339 -4.785 -25.767 722 1HG ARG 89 1HG ARG 89 4.948 -5.477 -28.664 723 2HG ARG 89 2HG ARG 89 6.338 -5.961 -27.697 724 1HD ARG 89 1HD ARG 89 4.730 -7.054 -26.112 725 2HD ARG 89 2HD ARG 89 3.458 -6.732 -27.290 726 HE ARG 89 HE ARG 89 5.744 -8.130 -28.355 727 1HH1 ARG 89 1HH1 ARG 89 2.578 -8.458 -26.890 728 2HH1 ARG 89 2HH1 ARG 89 2.370 -10.099 -27.422 729 1HH2 ARG 89 1HH2 ARG 89 5.474 -10.292 -29.028 730 2HH2 ARG 89 2HH2 ARG 89 4.020 -11.144 -28.610 731 H TRP 90 H TRP 90 3.140 -1.487 -27.016 732 HA TRP 90 HA TRP 90 4.120 -0.625 -24.495 733 1HB TRP 90 1HB TRP 90 4.218 0.859 -26.400 734 2HB TRP 90 2HB TRP 90 2.467 0.803 -26.583 735 HD1 TRP 90 HD1 TRP 90 1.153 2.664 -25.418 736 HE1 TRP 90 HE1 TRP 90 1.689 4.460 -23.664 737 HE3 TRP 90 HE3 TRP 90 5.888 1.195 -24.181 738 HZ2 TRP 90 HZ2 TRP 90 3.847 5.170 -21.969 739 HZ3 TRP 90 HZ3 TRP 90 7.122 2.481 -22.484 740 HH2 TRP 90 HH2 TRP 90 6.121 4.428 -21.401 741 H LEU 91 H LEU 91 0.901 -1.351 -25.731 742 HA LEU 91 HA LEU 91 -0.548 -0.034 -23.716 743 1HB LEU 91 1HB LEU 91 -1.353 -2.399 -25.409 744 2HB LEU 91 2HB LEU 91 -2.451 -1.474 -24.402 745 HG LEU 91 HG LEU 91 -1.369 0.507 -25.907 746 1HD1 LEU 91 1HD1 LEU 91 -0.070 -1.035 -27.265 747 2HD1 LEU 91 2HD1 LEU 91 -1.320 -0.245 -28.228 748 3HD1 LEU 91 3HD1 LEU 91 -1.539 -1.912 -27.694 749 1HD2 LEU 91 1HD2 LEU 91 -3.756 -1.200 -26.585 750 2HD2 LEU 91 2HD2 LEU 91 -3.445 0.425 -27.200 751 3HD2 LEU 91 3HD2 LEU 91 -3.728 0.173 -25.479 752 H ASP 92 H ASP 92 0.499 -3.422 -23.973 753 HA ASP 92 HA ASP 92 -0.631 -4.348 -21.597 754 1HB ASP 92 1HB ASP 92 1.934 -5.205 -22.952 755 2HB ASP 92 2HB ASP 92 1.139 -6.098 -21.661 756 H PHE 93 H PHE 93 2.493 -2.809 -22.208 757 HA PHE 93 HA PHE 93 3.482 -3.007 -19.574 758 1HB PHE 93 1HB PHE 93 4.983 -2.507 -21.409 759 2HB PHE 93 2HB PHE 93 4.107 -1.022 -21.769 760 HD1 PHE 93 HD1 PHE 93 6.143 -2.674 -19.129 761 HD2 PHE 93 HD2 PHE 93 4.723 0.986 -20.778 762 HE1 PHE 93 HE1 PHE 93 7.619 -1.419 -17.613 763 HE2 PHE 93 HE2 PHE 93 6.196 2.245 -19.262 764 HZ PHE 93 HZ PHE 93 7.647 1.043 -17.677 765 H TYR 94 H TYR 94 1.791 -0.394 -21.272 766 HA TYR 94 HA TYR 94 1.765 1.481 -19.215 767 1HB TYR 94 1HB TYR 94 1.141 2.059 -21.490 768 2HB TYR 94 2HB TYR 94 -0.263 1.000 -21.408 769 HD1 TYR 94 HD1 TYR 94 -2.311 2.004 -21.036 770 HD2 TYR 94 HD2 TYR 94 1.197 3.882 -19.521 771 HE1 TYR 94 HE1 TYR 94 -3.679 3.873 -20.197 772 HE2 TYR 94 HE2 TYR 94 -0.158 5.750 -18.682 773 HH TYR 94 HH TYR 94 -2.219 6.786 -18.934 774 H ALA 95 H ALA 95 -0.567 -1.091 -19.950 775 HA ALA 95 HA ALA 95 -2.413 -0.443 -17.921 776 1HB ALA 95 1HB ALA 95 -3.308 -2.682 -18.254 777 2HB ALA 95 2HB ALA 95 -1.860 -3.139 -19.150 778 3HB ALA 95 3HB ALA 95 -2.949 -1.916 -19.803 779 H ALA 96 H ALA 96 0.274 -2.777 -17.968 780 HA ALA 96 HA ALA 96 -0.172 -3.747 -15.342 781 1HB ALA 96 1HB ALA 96 2.028 -4.771 -15.538 782 2HB ALA 96 2HB ALA 96 2.378 -3.775 -16.953 783 3HB ALA 96 3HB ALA 96 1.101 -4.990 -17.025 784 H MET 97 H MET 97 1.880 -1.191 -16.633 785 HA MET 97 HA MET 97 3.378 -0.655 -14.321 786 1HB MET 97 1HB MET 97 3.854 0.143 -16.655 787 2HB MET 97 2HB MET 97 2.557 1.311 -16.471 788 1HG MET 97 1HG MET 97 4.910 1.223 -14.613 789 2HG MET 97 2HG MET 97 4.938 2.120 -16.127 790 1HE MET 97 1HE MET 97 5.437 4.420 -15.073 791 2HE MET 97 2HE MET 97 5.615 3.601 -13.519 792 3HE MET 97 3HE MET 97 4.619 5.051 -13.644 793 H THR 98 H THR 98 0.346 0.759 -15.496 794 HA THR 98 HA THR 98 0.166 2.658 -13.384 795 HB THR 98 HB THR 98 -2.233 2.903 -14.192 796 HG1 THR 98 HG1 THR 98 -1.333 1.273 -16.353 797 1HG2 THR 98 1HG2 THR 98 -0.420 4.358 -14.951 798 2HG2 THR 98 2HG2 THR 98 -1.570 4.037 -16.249 799 3HG2 THR 98 3HG2 THR 98 -0.018 3.199 -16.218 800 H GLU 99 H GLU 99 -0.878 -0.652 -13.713 801 HA GLU 99 HA GLU 99 -2.726 -0.591 -11.557 802 1HB GLU 99 1HB GLU 99 -1.144 -2.900 -12.696 803 2HB GLU 99 2HB GLU 99 -2.439 -3.062 -11.518 804 1HG GLU 99 1HG GLU 99 -3.957 -1.958 -13.172 805 2HG GLU 99 2HG GLU 99 -2.650 -2.077 -14.345 806 H PHE 100 H PHE 100 0.734 -1.062 -11.798 807 HA PHE 100 HA PHE 100 1.010 -1.713 -8.998 808 1HB PHE 100 1HB PHE 100 2.524 -2.647 -10.739 809 2HB PHE 100 2HB PHE 100 3.169 -1.029 -11.000 810 HD1 PHE 100 HD1 PHE 100 2.603 -3.474 -8.241 811 HD2 PHE 100 HD2 PHE 100 5.082 -0.413 -9.850 812 HE1 PHE 100 HE1 PHE 100 4.239 -3.852 -6.437 813 HE2 PHE 100 HE2 PHE 100 6.721 -0.786 -8.055 814 HZ PHE 100 HZ PHE 100 6.298 -2.503 -6.347 815 H LEU 101 H LEU 101 2.047 1.036 -11.058 816 HA LEU 101 HA LEU 101 2.959 2.553 -8.823 817 1HB LEU 101 1HB LEU 101 2.553 3.145 -11.725 818 2HB LEU 101 2HB LEU 101 2.756 4.483 -10.613 819 HG LEU 101 HG LEU 101 4.876 3.928 -11.634 820 1HD1 LEU 101 1HD1 LEU 101 4.905 4.716 -9.339 821 2HD1 LEU 101 2HD1 LEU 101 6.215 3.574 -9.628 822 3HD1 LEU 101 3HD1 LEU 101 4.774 3.058 -8.755 823 1HD2 LEU 101 1HD2 LEU 101 5.952 1.750 -11.238 824 2HD2 LEU 101 2HD2 LEU 101 4.479 1.609 -12.200 825 3HD2 LEU 101 3HD2 LEU 101 4.462 1.169 -10.493 826 H GLY 102 H GLY 102 -0.121 2.151 -10.337 827 1HA GLY 102 1HA GLY 102 -1.306 4.545 -9.298 828 2HA GLY 102 2HA GLY 102 -2.164 3.173 -9.978 829 H LEU 103 H LEU 103 -0.170 1.905 -7.741 830 HA LEU 103 HA LEU 103 -2.190 1.885 -5.639 831 1HB LEU 103 1HB LEU 103 0.491 0.502 -5.834 832 2HB LEU 103 2HB LEU 103 -0.648 0.294 -4.518 833 HG LEU 103 HG LEU 103 -1.138 -0.468 -7.396 834 1HD1 LEU 103 1HD1 LEU 103 -1.026 -2.763 -6.566 835 2HD1 LEU 103 2HD1 LEU 103 -0.617 -2.163 -4.959 836 3HD1 LEU 103 3HD1 LEU 103 0.495 -1.909 -6.302 837 1HD2 LEU 103 1HD2 LEU 103 -3.166 -1.528 -6.539 838 2HD2 LEU 103 2HD2 LEU 103 -3.184 0.212 -6.256 839 3HD2 LEU 103 3HD2 LEU 103 -2.821 -0.892 -4.931 840 H PHE 104 H PHE 104 0.719 3.488 -6.461 841 HA PHE 104 HA PHE 104 1.245 4.321 -3.705 842 1HB PHE 104 1HB PHE 104 2.842 4.738 -6.240 843 2HB PHE 104 2HB PHE 104 3.328 5.292 -4.644 844 HD1 PHE 104 HD1 PHE 104 2.910 2.385 -6.823 845 HD2 PHE 104 HD2 PHE 104 4.142 3.746 -2.985 846 HE1 PHE 104 HE1 PHE 104 4.011 0.225 -6.419 847 HE2 PHE 104 HE2 PHE 104 5.248 1.585 -2.570 848 HZ PHE 104 HZ PHE 104 5.185 -0.177 -4.289 849 H VAL 105 H VAL 105 -0.026 5.488 -6.688 850 HA VAL 105 HA VAL 105 0.375 8.241 -6.378 851 HB VAL 105 HB VAL 105 -1.545 8.518 -7.942 852 1HG1 VAL 105 1HG1 VAL 105 0.701 8.139 -8.795 853 2HG1 VAL 105 2HG1 VAL 105 -0.499 7.364 -9.829 854 3HG1 VAL 105 3HG1 VAL 105 0.453 6.396 -8.703 855 1HG2 VAL 105 1HG2 VAL 105 -1.730 5.518 -7.743 856 2HG2 VAL 105 2HG2 VAL 105 -2.591 6.531 -8.902 857 3HG2 VAL 105 3HG2 VAL 105 -2.937 6.673 -7.179 858 H ASP 106 H ASP 106 -0.440 9.668 -5.001 859 HA ASP 106 HA ASP 106 -2.482 8.676 -3.163 860 1HB ASP 106 1HB ASP 106 -0.422 9.364 -2.117 861 2HB ASP 106 2HB ASP 106 -0.490 10.933 -2.909 862 H GLU 107 H GLU 107 -4.235 9.066 -4.586 863 HA GLU 107 HA GLU 107 -6.198 10.144 -4.945 864 1HB GLU 107 1HB GLU 107 -6.098 10.879 -2.657 865 2HB GLU 107 2HB GLU 107 -4.966 12.160 -3.061 866 1HG GLU 107 1HG GLU 107 -6.758 13.183 -4.468 867 2HG GLU 107 2HG GLU 107 -7.869 11.981 -3.813 868 H LYS 108 H LYS 108 -3.926 12.891 -4.794 869 HA LYS 108 HA LYS 108 -5.267 14.151 -6.987 870 1HB LYS 108 1HB LYS 108 -2.622 14.955 -5.774 871 2HB LYS 108 2HB LYS 108 -3.761 15.982 -6.632 872 1HG LYS 108 1HG LYS 108 -5.387 15.649 -4.800 873 2HG LYS 108 2HG LYS 108 -4.170 14.719 -3.930 874 1HD LYS 108 1HD LYS 108 -2.683 16.723 -4.023 875 2HD LYS 108 2HD LYS 108 -4.037 17.625 -4.708 876 1HE LYS 108 1HE LYS 108 -3.869 16.342 -1.986 877 2HE LYS 108 2HE LYS 108 -3.968 18.060 -2.358 878 1HZ LYS 108 1HZ LYS 108 -6.084 16.006 -2.604 879 2HZ LYS 108 2HZ LYS 108 -6.195 17.502 -3.400 880 3HZ LYS 108 3HZ LYS 108 -6.107 17.449 -1.708 881 H LYS 109 H LYS 109 -2.771 11.887 -6.698 882 HA LYS 109 HA LYS 109 -1.656 12.493 -9.305 883 1HB LYS 109 1HB LYS 109 -0.415 11.660 -7.132 884 2HB LYS 109 2HB LYS 109 -0.934 10.078 -7.696 885 1HG LYS 109 1HG LYS 109 0.206 10.428 -9.791 886 2HG LYS 109 2HG LYS 109 0.710 12.036 -9.275 887 1HD LYS 109 1HD LYS 109 1.875 10.946 -7.340 888 2HD LYS 109 2HD LYS 109 1.521 9.387 -8.087 889 1HE LYS 109 1HE LYS 109 3.746 10.009 -8.698 890 2HE LYS 109 2HE LYS 109 2.720 10.161 -10.124 891 1HZ LYS 109 1HZ LYS 109 3.646 12.382 -8.373 892 2HZ LYS 109 2HZ LYS 109 2.576 12.565 -9.678 893 3HZ LYS 109 3HZ LYS 109 4.169 12.059 -9.954 894 H LEU 110 H LEU 110 -4.387 11.180 -8.278 895 HA LEU 110 HA LEU 110 -4.483 8.813 -9.941 896 1HB LEU 110 1HB LEU 110 -6.438 10.229 -8.176 897 2HB LEU 110 2HB LEU 110 -7.016 9.068 -9.344 898 HG LEU 110 HG LEU 110 -5.152 8.525 -7.042 899 1HD1 LEU 110 1HD1 LEU 110 -7.975 7.673 -7.663 900 2HD1 LEU 110 2HD1 LEU 110 -7.470 8.793 -6.395 901 3HD1 LEU 110 3HD1 LEU 110 -7.014 7.092 -6.301 902 1HD2 LEU 110 1HD2 LEU 110 -4.513 7.187 -8.977 903 2HD2 LEU 110 2HD2 LEU 110 -6.185 6.663 -9.176 904 3HD2 LEU 110 3HD2 LEU 110 -5.276 6.183 -7.744 905 H GLU 111 H GLU 111 -6.853 11.353 -9.796 906 HA GLU 111 HA GLU 111 -7.896 12.661 -11.289 907 1HB GLU 111 1HB GLU 111 -5.571 13.297 -11.939 908 2HB GLU 111 2HB GLU 111 -5.621 12.050 -13.177 909 1HG GLU 111 1HG GLU 111 -7.533 13.170 -14.205 910 2HG GLU 111 2HG GLU 111 -7.428 14.443 -12.994 911 H HIS 112 H HIS 112 -7.277 9.381 -11.892 912 HA HIS 112 HA HIS 112 -8.469 9.102 -14.397 913 1HB HIS 112 1HB HIS 112 -8.601 6.763 -14.036 914 2HB HIS 112 2HB HIS 112 -7.122 7.313 -13.271 915 HD1 HIS 112 HD1 HIS 112 -9.447 4.884 -12.676 916 HD2 HIS 112 HD2 HIS 112 -8.113 8.056 -10.374 917 HE1 HIS 112 HE1 HIS 112 -9.919 4.217 -10.299 918 H HIS 113 H HIS 113 -10.459 9.217 -15.096 919 HA HIS 113 HA HIS 113 -12.548 9.846 -13.192 920 1HB HIS 113 1HB HIS 113 -12.581 9.735 -16.219 921 2HB HIS 113 2HB HIS 113 -13.939 10.247 -15.219 922 HD1 HIS 113 HD1 HIS 113 -13.539 12.476 -13.792 923 HD2 HIS 113 HD2 HIS 113 -10.738 11.679 -16.765 924 HE1 HIS 113 HE1 HIS 113 -12.325 14.649 -14.188 925 H HIS 114 H HIS 114 -14.791 8.854 -13.792 926 HA HIS 114 HA HIS 114 -16.167 7.046 -13.772 927 1HB HIS 114 1HB HIS 114 -13.920 5.543 -15.146 928 2HB HIS 114 2HB HIS 114 -15.611 5.065 -15.072 929 HD1 HIS 114 HD1 HIS 114 -13.219 7.155 -16.965 930 HD2 HIS 114 HD2 HIS 114 -17.337 6.590 -16.753 931 HE1 HIS 114 HE1 HIS 114 -14.161 8.239 -19.029 932 H HIS 115 H HIS 115 -16.079 4.551 -13.099 933 HA HIS 115 HA HIS 115 -14.178 4.317 -10.854 934 1HB HIS 115 1HB HIS 115 -17.011 3.333 -11.149 935 2HB HIS 115 2HB HIS 115 -15.911 2.630 -9.967 936 HD1 HIS 115 HD1 HIS 115 -18.334 5.258 -10.356 937 HD2 HIS 115 HD2 HIS 115 -14.879 4.708 -8.112 938 HE1 HIS 115 HE1 HIS 115 -18.473 6.929 -8.484 939 H HIS 116 H HIS 116 -13.298 3.684 -13.339 940 HA HIS 116 HA HIS 116 -13.684 0.824 -13.737 941 1HB HIS 116 1HB HIS 116 -13.699 2.539 -15.637 942 2HB HIS 116 2HB HIS 116 -11.956 2.639 -15.412 943 HD1 HIS 116 HD1 HIS 116 -10.549 0.836 -16.500 944 HD2 HIS 116 HD2 HIS 116 -14.615 -0.044 -16.489 945 HE1 HIS 116 HE1 HIS 116 -10.809 -1.217 -17.939 946 H HIS 117 H HIS 117 -12.621 0.102 -11.888 947 HA HIS 117 HA HIS 117 -9.874 -0.503 -12.285 948 1HB HIS 117 1HB HIS 117 -9.553 1.755 -11.349 949 2HB HIS 117 2HB HIS 117 -10.549 1.330 -9.962 950 HD1 HIS 117 HD1 HIS 117 -9.469 -0.092 -8.110 951 HD2 HIS 117 HD2 HIS 117 -6.946 0.655 -11.334 952 HE1 HIS 117 HE1 HIS 117 -7.173 -0.770 -7.347 Start of MODEL 10 1 HA LEU 1 HA LEU 1 3.419 0.263 -0.669 2 1HB LEU 1 1HB LEU 1 1.504 2.466 0.103 3 2HB LEU 1 2HB LEU 1 2.011 2.140 -1.542 4 HG LEU 1 HG LEU 1 0.479 0.227 0.226 5 1HD1 LEU 1 1HD1 LEU 1 -0.858 2.149 -0.473 6 2HD1 LEU 1 2HD1 LEU 1 -1.388 0.672 -1.276 7 3HD1 LEU 1 3HD1 LEU 1 -0.413 1.852 -2.154 8 1HD2 LEU 1 1HD2 LEU 1 0.231 -1.103 -1.816 9 2HD2 LEU 1 2HD2 LEU 1 1.924 -0.940 -1.348 10 3HD2 LEU 1 3HD2 LEU 1 1.280 0.026 -2.675 11 H ASN 2 H ASN 2 2.923 3.642 -0.143 12 HA ASN 2 HA ASN 2 4.245 5.448 -0.441 13 1HB ASN 2 1HB ASN 2 6.152 3.670 1.061 14 2HB ASN 2 2HB ASN 2 6.598 5.296 0.561 15 1HD2 ASN 2 2HD2 ASN 2 5.724 7.050 1.595 16 2HD2 ASN 2 1HD2 ASN 2 4.777 6.911 3.049 17 H ILE 3 H ILE 3 4.653 5.976 -2.455 18 HA ILE 3 HA ILE 3 5.934 4.225 -4.312 19 HB ILE 3 HB ILE 3 4.164 5.900 -4.912 20 1HG1 ILE 3 1HG1 ILE 3 5.302 6.696 -7.023 21 2HG1 ILE 3 2HG1 ILE 3 6.795 6.015 -6.388 22 1HG2 ILE 3 1HG2 ILE 3 4.939 7.776 -3.578 23 2HG2 ILE 3 2HG2 ILE 3 4.808 8.237 -5.274 24 3HG2 ILE 3 3HG2 ILE 3 6.391 7.904 -4.571 25 1HD1 ILE 3 1HD1 ILE 3 4.269 4.498 -6.989 26 2HD1 ILE 3 2HD1 ILE 3 5.740 3.807 -6.308 27 3HD1 ILE 3 3HD1 ILE 3 5.756 4.483 -7.937 28 H GLU 4 H GLU 4 7.061 6.609 -2.109 29 HA GLU 4 HA GLU 4 9.491 7.301 -3.403 30 1HB GLU 4 1HB GLU 4 9.269 7.193 -0.412 31 2HB GLU 4 2HB GLU 4 10.133 8.346 -1.415 32 1HG GLU 4 1HG GLU 4 8.372 9.584 -0.596 33 2HG GLU 4 2HG GLU 4 7.791 9.089 -2.186 34 H ARG 5 H ARG 5 8.447 4.375 -2.203 35 HA ARG 5 HA ARG 5 11.144 3.507 -1.411 36 1HB ARG 5 1HB ARG 5 8.493 2.135 -0.924 37 2HB ARG 5 2HB ARG 5 10.060 1.619 -0.317 38 1HG ARG 5 1HG ARG 5 10.216 3.650 1.022 39 2HG ARG 5 2HG ARG 5 8.643 4.173 0.413 40 1HD ARG 5 1HD ARG 5 7.680 2.060 1.330 41 2HD ARG 5 2HD ARG 5 9.239 1.739 2.086 42 HE ARG 5 HE ARG 5 8.490 4.284 2.885 43 1HH1 ARG 5 1HH1 ARG 5 7.269 1.029 3.160 44 2HH1 ARG 5 2HH1 ARG 5 6.467 1.299 4.673 45 1HH2 ARG 5 1HH2 ARG 5 7.443 4.673 4.881 46 2HH2 ARG 5 2HH2 ARG 5 6.577 3.394 5.664 47 H LEU 6 H LEU 6 9.131 3.608 -3.984 48 HA LEU 6 HA LEU 6 9.384 0.973 -5.003 49 1HB LEU 6 1HB LEU 6 7.620 2.445 -5.787 50 2HB LEU 6 2HB LEU 6 8.805 3.582 -6.405 51 HG LEU 6 HG LEU 6 9.579 1.864 -7.991 52 1HD1 LEU 6 1HD1 LEU 6 7.227 0.293 -6.962 53 2HD1 LEU 6 2HD1 LEU 6 8.929 -0.122 -6.760 54 3HD1 LEU 6 3HD1 LEU 6 8.205 -0.127 -8.369 55 1HD2 LEU 6 1HD2 LEU 6 7.661 1.997 -9.498 56 2HD2 LEU 6 2HD2 LEU 6 7.953 3.539 -8.690 57 3HD2 LEU 6 3HD2 LEU 6 6.639 2.494 -8.150 58 H THR 7 H THR 7 11.357 0.133 -5.385 59 HA THR 7 HA THR 7 13.568 1.868 -6.118 60 HB THR 7 HB THR 7 14.892 -0.275 -5.928 61 HG1 THR 7 HG1 THR 7 13.719 -1.995 -4.819 62 1HG2 THR 7 1HG2 THR 7 13.251 0.592 -3.542 63 2HG2 THR 7 2HG2 THR 7 14.779 1.297 -4.072 64 3HG2 THR 7 3HG2 THR 7 14.734 -0.358 -3.463 65 H THR 8 H THR 8 11.856 -0.936 -7.458 66 HA THR 8 HA THR 8 12.568 -0.098 -10.132 67 HB THR 8 HB THR 8 14.495 -1.507 -9.453 68 HG1 THR 8 HG1 THR 8 14.502 -2.006 -11.496 69 1HG2 THR 8 1HG2 THR 8 12.427 -3.698 -9.211 70 2HG2 THR 8 2HG2 THR 8 13.364 -3.002 -7.891 71 3HG2 THR 8 3HG2 THR 8 14.173 -3.928 -9.154 72 H LEU 9 H LEU 9 11.653 -1.941 -11.696 73 HA LEU 9 HA LEU 9 8.837 -2.088 -10.903 74 1HB LEU 9 1HB LEU 9 10.159 -2.262 -13.611 75 2HB LEU 9 2HB LEU 9 8.432 -2.381 -13.338 76 HG LEU 9 HG LEU 9 10.161 0.034 -12.816 77 1HD1 LEU 9 1HD1 LEU 9 7.975 -0.474 -14.830 78 2HD1 LEU 9 2HD1 LEU 9 9.701 -0.380 -15.176 79 3HD1 LEU 9 3HD1 LEU 9 8.839 1.047 -14.602 80 1HD2 LEU 9 1HD2 LEU 9 7.191 -0.318 -12.429 81 2HD2 LEU 9 2HD2 LEU 9 8.099 1.179 -12.219 82 3HD2 LEU 9 3HD2 LEU 9 8.384 -0.186 -11.139 83 H GLN 10 H GLN 10 10.540 -4.066 -9.823 84 HA GLN 10 HA GLN 10 10.769 -6.417 -11.256 85 1HB GLN 10 1HB GLN 10 11.854 -6.143 -9.119 86 2HB GLN 10 2HB GLN 10 10.313 -6.064 -8.290 87 1HG GLN 10 1HG GLN 10 11.372 -8.222 -7.979 88 2HG GLN 10 2HG GLN 10 9.862 -8.385 -8.875 89 1HE2 GLN 10 2HE2 GLN 10 9.912 -9.034 -11.012 90 2HE2 GLN 10 1HE2 GLN 10 11.349 -9.639 -11.772 91 HA PRO 11 HA PRO 11 6.450 -7.969 -9.718 92 1HB PRO 11 1HB PRO 11 4.986 -5.517 -8.985 93 2HB PRO 11 2HB PRO 11 5.112 -7.051 -8.118 94 1HG PRO 11 1HG PRO 11 6.335 -4.840 -7.233 95 2HG PRO 11 2HG PRO 11 7.070 -6.446 -7.057 96 1HD PRO 11 1HD PRO 11 7.658 -4.302 -9.074 97 2HD PRO 11 2HD PRO 11 8.781 -5.333 -8.168 98 H VAL 12 H VAL 12 6.943 -4.987 -11.384 99 HA VAL 12 HA VAL 12 4.533 -5.030 -12.925 100 HB VAL 12 HB VAL 12 7.120 -3.552 -13.438 101 1HG1 VAL 12 1HG1 VAL 12 5.776 -2.081 -14.858 102 2HG1 VAL 12 2HG1 VAL 12 4.365 -3.099 -14.581 103 3HG1 VAL 12 3HG1 VAL 12 5.756 -3.741 -15.455 104 1HG2 VAL 12 1HG2 VAL 12 6.187 -2.918 -11.306 105 2HG2 VAL 12 2HG2 VAL 12 4.595 -2.696 -12.031 106 3HG2 VAL 12 3HG2 VAL 12 5.919 -1.619 -12.469 107 H TRP 13 H TRP 13 7.903 -5.978 -13.460 108 HA TRP 13 HA TRP 13 7.537 -6.820 -16.140 109 1HB TRP 13 1HB TRP 13 9.630 -7.597 -14.103 110 2HB TRP 13 2HB TRP 13 9.690 -8.037 -15.805 111 HD1 TRP 13 HD1 TRP 13 11.423 -5.814 -13.755 112 HE1 TRP 13 HE1 TRP 13 12.095 -3.622 -14.925 113 HE3 TRP 13 HE3 TRP 13 8.232 -6.010 -17.744 114 HZ2 TRP 13 HZ2 TRP 13 11.363 -2.164 -17.236 115 HZ3 TRP 13 HZ3 TRP 13 8.278 -4.182 -19.386 116 HH2 TRP 13 HH2 TRP 13 9.810 -2.298 -19.137 117 H ASP 14 H ASP 14 7.193 -8.431 -13.033 118 HA ASP 14 HA ASP 14 6.898 -11.058 -14.002 119 1HB ASP 14 1HB ASP 14 5.975 -9.678 -11.495 120 2HB ASP 14 2HB ASP 14 5.501 -11.340 -11.837 121 H ARG 15 H ARG 15 4.523 -8.497 -13.397 122 HA ARG 15 HA ARG 15 2.292 -10.033 -14.285 123 1HB ARG 15 1HB ARG 15 2.309 -8.083 -12.680 124 2HB ARG 15 2HB ARG 15 2.565 -7.042 -14.071 125 1HG ARG 15 1HG ARG 15 0.451 -7.607 -14.982 126 2HG ARG 15 2HG ARG 15 0.217 -8.888 -13.785 127 1HD ARG 15 1HD ARG 15 0.357 -5.923 -13.282 128 2HD ARG 15 2HD ARG 15 -1.039 -6.974 -13.120 129 HE ARG 15 HE ARG 15 0.981 -7.962 -11.463 130 1HH1 ARG 15 1HH1 ARG 15 -1.168 -5.212 -11.686 131 2HH1 ARG 15 2HH1 ARG 15 -1.167 -4.903 -9.976 132 1HH2 ARG 15 1HH2 ARG 15 0.986 -7.579 -9.228 133 2HH2 ARG 15 2HH2 ARG 15 0.050 -6.271 -8.565 134 H TYR 16 H TYR 16 4.588 -7.858 -15.755 135 HA TYR 16 HA TYR 16 3.370 -7.246 -18.166 136 1HB TYR 16 1HB TYR 16 5.504 -6.287 -17.464 137 2HB TYR 16 2HB TYR 16 6.279 -7.860 -17.581 138 HD1 TYR 16 HD1 TYR 16 6.879 -8.792 -19.739 139 HD2 TYR 16 HD2 TYR 16 5.015 -4.978 -19.448 140 HE1 TYR 16 HE1 TYR 16 7.547 -8.299 -22.049 141 HE2 TYR 16 HE2 TYR 16 5.673 -4.476 -21.765 142 HH TYR 16 HH TYR 16 6.702 -6.769 -23.925 143 H ASP 17 H ASP 17 5.241 -10.117 -17.268 144 HA ASP 17 HA ASP 17 5.141 -11.390 -19.783 145 1HB ASP 17 1HB ASP 17 6.726 -12.006 -17.991 146 2HB ASP 17 2HB ASP 17 5.389 -12.636 -17.035 147 H THR 18 H THR 18 3.011 -11.496 -16.976 148 HA THR 18 HA THR 18 1.403 -13.621 -18.041 149 HB THR 18 HB THR 18 -0.099 -13.049 -16.060 150 HG1 THR 18 HG1 THR 18 0.344 -11.238 -15.093 151 1HG2 THR 18 1HG2 THR 18 1.546 -14.867 -16.039 152 2HG2 THR 18 2HG2 THR 18 1.418 -14.092 -14.461 153 3HG2 THR 18 3HG2 THR 18 2.789 -13.734 -15.511 154 H GLN 19 H GLN 19 1.486 -10.283 -18.582 155 HA GLN 19 HA GLN 19 -1.283 -10.308 -19.546 156 1HB GLN 19 1HB GLN 19 0.681 -8.051 -19.158 157 2HB GLN 19 2HB GLN 19 -0.874 -7.846 -19.954 158 1HG GLN 19 1HG GLN 19 -2.023 -8.540 -17.926 159 2HG GLN 19 2HG GLN 19 -0.476 -8.807 -17.127 160 1HE2 GLN 19 2HE2 GLN 19 -2.700 -7.022 -16.454 161 2HE2 GLN 19 1HE2 GLN 19 -2.024 -5.436 -16.369 162 H ILE 20 H ILE 20 2.026 -9.764 -20.628 163 HA ILE 20 HA ILE 20 1.536 -9.140 -23.293 164 HB ILE 20 HB ILE 20 3.813 -9.868 -21.662 165 1HG1 ILE 20 1HG1 ILE 20 3.285 -7.626 -22.574 166 2HG1 ILE 20 2HG1 ILE 20 4.909 -8.165 -22.977 167 1HG2 ILE 20 1HG2 ILE 20 4.015 -11.780 -23.160 168 2HG2 ILE 20 2HG2 ILE 20 5.317 -10.622 -23.427 169 3HG2 ILE 20 3HG2 ILE 20 3.963 -10.703 -24.555 170 1HD1 ILE 20 1HD1 ILE 20 4.155 -8.762 -25.213 171 2HD1 ILE 20 2HD1 ILE 20 3.850 -7.062 -24.849 172 3HD1 ILE 20 3HD1 ILE 20 2.526 -8.224 -24.803 173 H HIS 21 H HIS 21 1.478 -12.239 -21.702 174 HA HIS 21 HA HIS 21 1.809 -13.735 -24.134 175 1HB HIS 21 1HB HIS 21 1.650 -15.703 -22.813 176 2HB HIS 21 2HB HIS 21 2.553 -14.541 -21.862 177 HD1 HIS 21 HD1 HIS 21 1.313 -16.888 -20.452 178 HD2 HIS 21 HD2 HIS 21 -0.689 -13.288 -21.001 179 HE1 HIS 21 HE1 HIS 21 -0.456 -16.814 -18.666 180 H ASN 22 H ASN 22 -0.750 -11.967 -23.095 181 HA ASN 22 HA ASN 22 -2.633 -13.516 -24.665 182 1HB ASN 22 1HB ASN 22 -2.819 -14.518 -22.403 183 2HB ASN 22 2HB ASN 22 -3.215 -12.931 -21.754 184 1HD2 ASN 22 2HD2 ASN 22 -5.191 -13.681 -21.004 185 2HD2 ASN 22 1HD2 ASN 22 -6.525 -13.975 -22.064 186 H GLN 23 H GLN 23 -3.415 -12.015 -25.979 187 HA GLN 23 HA GLN 23 -3.543 -9.235 -25.186 188 1HB GLN 23 1HB GLN 23 -4.306 -10.601 -27.775 189 2HB GLN 23 2HB GLN 23 -4.344 -8.866 -27.518 190 1HG GLN 23 1HG GLN 23 -2.363 -9.169 -28.641 191 2HG GLN 23 2HG GLN 23 -1.837 -9.132 -26.960 192 1HE2 GLN 23 2HE2 GLN 23 -0.952 -10.943 -26.050 193 2HE2 GLN 23 1HE2 GLN 23 -0.576 -12.375 -26.958 194 H LYS 24 H LYS 24 -5.256 -10.533 -23.543 195 HA LYS 24 HA LYS 24 -7.907 -9.984 -24.698 196 1HB LYS 24 1HB LYS 24 -7.006 -12.281 -23.011 197 2HB LYS 24 2HB LYS 24 -8.681 -11.748 -22.950 198 1HG LYS 24 1HG LYS 24 -7.195 -12.641 -25.408 199 2HG LYS 24 2HG LYS 24 -8.396 -13.577 -24.518 200 1HD LYS 24 1HD LYS 24 -9.984 -11.619 -24.961 201 2HD LYS 24 2HD LYS 24 -8.796 -11.086 -26.151 202 1HE LYS 24 1HE LYS 24 -10.479 -12.385 -27.268 203 2HE LYS 24 2HE LYS 24 -8.975 -13.307 -27.246 204 1HZ LYS 24 1HZ LYS 24 -10.877 -14.692 -26.681 205 2HZ LYS 24 2HZ LYS 24 -11.257 -13.680 -25.376 206 3HZ LYS 24 3HZ LYS 24 -9.815 -14.573 -25.363 207 H ASP 25 H ASP 25 -8.534 -8.152 -23.883 208 HA ASP 25 HA ASP 25 -9.594 -8.161 -21.282 209 1HB ASP 25 1HB ASP 25 -7.210 -7.580 -20.696 210 2HB ASP 25 2HB ASP 25 -7.401 -6.103 -21.639 211 H ASN 26 H ASN 26 -11.379 -7.795 -22.593 212 HA ASN 26 HA ASN 26 -11.451 -5.238 -24.035 213 1HB ASN 26 1HB ASN 26 -11.846 -7.286 -25.385 214 2HB ASN 26 2HB ASN 26 -13.227 -7.669 -24.367 215 1HD2 ASN 26 2HD2 ASN 26 -13.040 -7.174 -27.241 216 2HD2 ASN 26 1HD2 ASN 26 -14.144 -5.888 -27.576 217 H ASP 27 H ASP 27 -12.128 -3.772 -22.583 218 HA ASP 27 HA ASP 27 -14.875 -4.023 -21.665 219 1HB ASP 27 1HB ASP 27 -13.540 -4.887 -19.771 220 2HB ASP 27 2HB ASP 27 -12.618 -3.386 -19.749 221 H ASN 28 H ASN 28 -15.931 -2.148 -21.778 222 HA ASN 28 HA ASN 28 -16.426 -0.020 -22.335 223 1HB ASN 28 1HB ASN 28 -13.888 0.359 -20.804 224 2HB ASN 28 2HB ASN 28 -14.584 1.736 -21.655 225 1HD2 ASN 28 2HD2 ASN 28 -15.028 -0.581 -19.084 226 2HD2 ASN 28 1HD2 ASN 28 -16.325 0.262 -18.298 227 H GLU 29 H GLU 29 -16.572 0.068 -24.471 228 HA GLU 29 HA GLU 29 -14.238 -0.062 -26.149 229 1HB GLU 29 1HB GLU 29 -15.957 0.172 -28.006 230 2HB GLU 29 2HB GLU 29 -16.065 -1.266 -27.003 231 1HG GLU 29 1HG GLU 29 -17.924 -0.338 -25.784 232 2HG GLU 29 2HG GLU 29 -17.760 1.195 -26.644 233 H VAL 30 H VAL 30 -13.593 1.985 -24.908 234 HA VAL 30 HA VAL 30 -14.529 4.456 -26.002 235 HB VAL 30 HB VAL 30 -12.470 5.403 -24.954 236 1HG1 VAL 30 1HG1 VAL 30 -14.567 5.249 -23.711 237 2HG1 VAL 30 2HG1 VAL 30 -13.177 5.032 -22.649 238 3HG1 VAL 30 3HG1 VAL 30 -14.123 3.633 -23.160 239 1HG2 VAL 30 1HG2 VAL 30 -11.132 3.948 -23.479 240 2HG2 VAL 30 2HG2 VAL 30 -10.981 3.507 -25.180 241 3HG2 VAL 30 3HG2 VAL 30 -12.002 2.548 -24.110 242 HA PRO 31 HA PRO 31 -12.330 4.392 -29.814 243 1HB PRO 31 1HB PRO 31 -11.904 7.043 -30.238 244 2HB PRO 31 2HB PRO 31 -13.481 6.270 -30.424 245 1HG PRO 31 1HG PRO 31 -12.412 7.868 -28.133 246 2HG PRO 31 2HG PRO 31 -14.030 7.893 -28.857 247 1HD PRO 31 1HD PRO 31 -13.468 6.579 -26.550 248 2HD PRO 31 2HD PRO 31 -14.720 6.039 -27.687 249 H VAL 32 H VAL 32 -10.456 3.335 -29.015 250 HA VAL 32 HA VAL 32 -8.077 4.738 -29.588 251 HB VAL 32 HB VAL 32 -8.407 5.593 -27.286 252 1HG1 VAL 32 1HG1 VAL 32 -8.134 4.067 -25.366 253 2HG1 VAL 32 2HG1 VAL 32 -8.203 2.697 -26.476 254 3HG1 VAL 32 3HG1 VAL 32 -9.604 3.752 -26.287 255 1HG2 VAL 32 1HG2 VAL 32 -6.175 5.020 -26.424 256 2HG2 VAL 32 2HG2 VAL 32 -6.155 5.392 -28.147 257 3HG2 VAL 32 3HG2 VAL 32 -6.072 3.715 -27.607 258 H HIS 33 H HIS 33 -6.523 3.319 -30.211 259 HA HIS 33 HA HIS 33 -6.778 0.522 -29.447 260 1HB HIS 33 1HB HIS 33 -6.629 -0.094 -31.950 261 2HB HIS 33 2HB HIS 33 -8.190 0.373 -31.295 262 HD1 HIS 33 HD1 HIS 33 -5.755 1.212 -33.903 263 HD2 HIS 33 HD2 HIS 33 -8.991 3.068 -32.059 264 HE1 HIS 33 HE1 HIS 33 -6.364 3.154 -35.386 265 H GLN 34 H GLN 34 -5.027 2.467 -31.904 266 HA GLN 34 HA GLN 34 -2.561 1.116 -31.097 267 1HB GLN 34 1HB GLN 34 -3.465 2.554 -33.529 268 2HB GLN 34 2HB GLN 34 -1.777 2.766 -33.099 269 1HG GLN 34 1HG GLN 34 -1.716 0.985 -34.557 270 2HG GLN 34 2HG GLN 34 -1.705 0.195 -32.984 271 1HE2 GLN 34 2HE2 GLN 34 -2.530 -0.772 -35.627 272 2HE2 GLN 34 1HE2 GLN 34 -4.170 -1.302 -35.442 273 H VAL 35 H VAL 35 -3.977 3.147 -29.488 274 HA VAL 35 HA VAL 35 -3.616 4.979 -28.228 275 HB VAL 35 HB VAL 35 -0.725 4.438 -28.932 276 1HG1 VAL 35 1HG1 VAL 35 -1.878 6.303 -26.862 277 2HG1 VAL 35 2HG1 VAL 35 -0.876 6.739 -28.248 278 3HG1 VAL 35 3HG1 VAL 35 -0.188 5.797 -26.927 279 1HG2 VAL 35 1HG2 VAL 35 -1.823 2.653 -27.694 280 2HG2 VAL 35 2HG2 VAL 35 -2.354 3.817 -26.479 281 3HG2 VAL 35 3HG2 VAL 35 -0.636 3.483 -26.685 282 H SER 36 H SER 36 -0.883 5.982 -30.079 283 HA SER 36 HA SER 36 -1.778 7.423 -32.185 284 1HB SER 36 1HB SER 36 -3.402 8.574 -30.741 285 2HB SER 36 2HB SER 36 -2.103 9.080 -29.661 286 HG SER 36 HG SER 36 -3.024 10.393 -31.704 287 H TYR 37 H TYR 37 -0.168 8.898 -32.978 288 HA TYR 37 HA TYR 37 2.455 8.432 -31.990 289 1HB TYR 37 1HB TYR 37 2.050 8.896 -34.365 290 2HB TYR 37 2HB TYR 37 1.467 10.508 -33.965 291 HD1 TYR 37 HD1 TYR 37 2.952 12.297 -34.004 292 HD2 TYR 37 HD2 TYR 37 4.490 8.348 -33.630 293 HE1 TYR 37 HE1 TYR 37 5.241 13.173 -34.197 294 HE2 TYR 37 HE2 TYR 37 6.781 9.215 -33.823 295 HH TYR 37 HH TYR 37 7.935 11.190 -34.740 296 H THR 38 H THR 38 0.135 11.048 -31.689 297 HA THR 38 HA THR 38 1.813 12.855 -30.262 298 HB THR 38 HB THR 38 -1.161 12.740 -29.827 299 HG1 THR 38 HG1 THR 38 0.200 13.550 -32.233 300 1HG2 THR 38 1HG2 THR 38 -0.928 15.175 -29.914 301 2HG2 THR 38 2HG2 THR 38 0.782 15.012 -30.308 302 3HG2 THR 38 3HG2 THR 38 0.186 14.482 -28.735 303 H ASN 39 H ASN 39 -0.562 10.428 -29.361 304 HA ASN 39 HA ASN 39 -0.647 11.045 -26.619 305 1HB ASN 39 1HB ASN 39 -2.192 9.570 -28.264 306 2HB ASN 39 2HB ASN 39 -1.292 8.288 -27.472 307 1HD2 ASN 39 2HD2 ASN 39 -2.262 11.349 -26.087 308 2HD2 ASN 39 1HD2 ASN 39 -3.337 10.689 -24.923 309 H LEU 40 H LEU 40 1.390 8.948 -28.508 310 HA LEU 40 HA LEU 40 2.470 7.375 -26.467 311 1HB LEU 40 1HB LEU 40 2.835 7.521 -29.145 312 2HB LEU 40 2HB LEU 40 4.310 8.294 -28.602 313 HG LEU 40 HG LEU 40 4.686 5.930 -29.015 314 1HD1 LEU 40 1HD1 LEU 40 5.671 5.297 -26.890 315 2HD1 LEU 40 2HD1 LEU 40 4.721 6.532 -26.065 316 3HD1 LEU 40 3HD1 LEU 40 5.963 7.003 -27.226 317 1HD2 LEU 40 1HD2 LEU 40 2.573 5.460 -26.916 318 2HD2 LEU 40 2HD2 LEU 40 3.583 4.219 -27.656 319 3HD2 LEU 40 3HD2 LEU 40 2.426 5.114 -28.641 320 H ALA 41 H ALA 41 3.491 10.535 -27.732 321 HA ALA 41 HA ALA 41 5.671 10.848 -25.920 322 1HB ALA 41 1HB ALA 41 5.564 12.035 -28.059 323 2HB ALA 41 2HB ALA 41 5.735 13.156 -26.709 324 3HB ALA 41 3HB ALA 41 4.166 12.947 -27.490 325 H GLU 42 H GLU 42 2.264 11.699 -25.841 326 HA GLU 42 HA GLU 42 2.373 13.323 -23.520 327 1HB GLU 42 1HB GLU 42 0.069 11.652 -24.556 328 2HB GLU 42 2HB GLU 42 -0.050 12.946 -23.371 329 1HG GLU 42 1HG GLU 42 0.765 14.532 -25.076 330 2HG GLU 42 2HG GLU 42 0.765 13.222 -26.253 331 H MET 43 H MET 43 2.032 9.865 -24.057 332 HA MET 43 HA MET 43 1.536 9.242 -21.314 333 1HB MET 43 1HB MET 43 2.250 7.549 -23.694 334 2HB MET 43 2HB MET 43 2.083 6.869 -22.081 335 1HG MET 43 1HG MET 43 -0.226 7.739 -21.994 336 2HG MET 43 2HG MET 43 -0.041 8.299 -23.657 337 1HE MET 43 1HE MET 43 -2.258 6.926 -24.266 338 2HE MET 43 2HE MET 43 -2.375 6.331 -22.609 339 3HE MET 43 3HE MET 43 -2.447 5.200 -23.959 340 H VAL 44 H VAL 44 4.451 8.987 -23.390 341 HA VAL 44 HA VAL 44 6.107 7.838 -21.452 342 HB VAL 44 HB VAL 44 8.030 8.916 -22.670 343 1HG1 VAL 44 1HG1 VAL 44 7.735 7.586 -24.696 344 2HG1 VAL 44 2HG1 VAL 44 6.023 7.405 -24.314 345 3HG1 VAL 44 3HG1 VAL 44 7.244 6.708 -23.249 346 1HG2 VAL 44 1HG2 VAL 44 6.983 10.927 -23.441 347 2HG2 VAL 44 2HG2 VAL 44 5.822 9.992 -24.382 348 3HG2 VAL 44 3HG2 VAL 44 7.530 9.982 -24.827 349 H GLY 45 H GLY 45 5.240 11.205 -21.970 350 1HA GLY 45 1HA GLY 45 7.054 12.362 -20.159 351 2HA GLY 45 2HA GLY 45 5.507 13.051 -20.637 352 H GLU 46 H GLU 46 3.775 11.085 -19.676 353 HA GLU 46 HA GLU 46 3.829 11.825 -16.896 354 1HB GLU 46 1HB GLU 46 1.611 10.936 -16.746 355 2HB GLU 46 2HB GLU 46 1.743 11.889 -18.213 356 1HG GLU 46 1HG GLU 46 1.865 9.902 -19.553 357 2HG GLU 46 2HG GLU 46 1.903 8.889 -18.108 358 H MET 47 H MET 47 4.535 8.974 -18.766 359 HA MET 47 HA MET 47 4.556 7.064 -16.691 360 1HB MET 47 1HB MET 47 6.219 7.279 -19.207 361 2HB MET 47 2HB MET 47 6.303 5.907 -18.118 362 1HG MET 47 1HG MET 47 3.770 6.785 -19.472 363 2HG MET 47 2HG MET 47 4.886 5.609 -20.157 364 1HE MET 47 1HE MET 47 1.784 6.122 -18.124 365 2HE MET 47 2HE MET 47 2.906 6.383 -16.789 366 3HE MET 47 3HE MET 47 1.865 4.958 -16.804 367 H ASN 48 H ASN 48 7.095 9.178 -17.962 368 HA ASN 48 HA ASN 48 9.167 8.528 -16.235 369 1HB ASN 48 1HB ASN 48 8.413 11.152 -17.532 370 2HB ASN 48 2HB ASN 48 9.876 10.967 -16.573 371 1HD2 ASN 48 2HD2 ASN 48 9.408 11.540 -19.457 372 2HD2 ASN 48 1HD2 ASN 48 10.373 10.382 -20.291 373 H LYS 49 H LYS 49 6.458 10.738 -15.769 374 HA LYS 49 HA LYS 49 7.383 11.831 -13.316 375 1HB LYS 49 1HB LYS 49 4.614 11.787 -14.517 376 2HB LYS 49 2HB LYS 49 5.104 12.770 -13.139 377 1HG LYS 49 1HG LYS 49 6.774 13.871 -14.570 378 2HG LYS 49 2HG LYS 49 6.180 12.940 -15.942 379 1HD LYS 49 1HD LYS 49 3.992 13.966 -15.732 380 2HD LYS 49 2HD LYS 49 4.521 14.850 -14.299 381 1HE LYS 49 1HE LYS 49 5.685 15.145 -17.066 382 2HE LYS 49 2HE LYS 49 4.536 16.254 -16.321 383 1HZ LYS 49 1HZ LYS 49 6.172 16.681 -14.569 384 2HZ LYS 49 2HZ LYS 49 6.773 17.095 -16.102 385 3HZ LYS 49 3HZ LYS 49 7.286 15.663 -15.350 386 H LEU 50 H LEU 50 6.168 8.800 -13.977 387 HA LEU 50 HA LEU 50 5.011 8.451 -11.303 388 1HB LEU 50 1HB LEU 50 5.192 6.597 -13.671 389 2HB LEU 50 2HB LEU 50 4.523 6.133 -12.117 390 HG LEU 50 HG LEU 50 3.435 8.270 -13.955 391 1HD1 LEU 50 1HD1 LEU 50 1.538 6.756 -14.204 392 2HD1 LEU 50 2HD1 LEU 50 2.352 5.562 -13.192 393 3HD1 LEU 50 3HD1 LEU 50 3.035 6.003 -14.757 394 1HD2 LEU 50 1HD2 LEU 50 2.362 7.272 -11.316 395 2HD2 LEU 50 2HD2 LEU 50 1.593 8.452 -12.378 396 3HD2 LEU 50 3HD2 LEU 50 3.120 8.840 -11.588 397 H LEU 51 H LEU 51 7.926 8.002 -13.011 398 HA LEU 51 HA LEU 51 8.863 6.073 -10.999 399 1HB LEU 51 1HB LEU 51 9.709 6.462 -13.863 400 2HB LEU 51 2HB LEU 51 10.524 5.391 -12.735 401 HG LEU 51 HG LEU 51 7.591 5.099 -13.413 402 1HD1 LEU 51 1HD1 LEU 51 8.262 3.303 -14.929 403 2HD1 LEU 51 2HD1 LEU 51 9.958 3.708 -14.670 404 3HD1 LEU 51 3HD1 LEU 51 8.886 4.862 -15.467 405 1HD2 LEU 51 1HD2 LEU 51 8.290 4.054 -11.345 406 2HD2 LEU 51 2HD2 LEU 51 9.627 3.254 -12.171 407 3HD2 LEU 51 3HD2 LEU 51 7.963 2.825 -12.567 408 H GLU 52 H GLU 52 9.147 9.236 -11.962 409 HA GLU 52 HA GLU 52 11.896 9.624 -11.223 410 1HB GLU 52 1HB GLU 52 9.642 11.489 -11.879 411 2HB GLU 52 2HB GLU 52 11.187 12.084 -11.281 412 1HG GLU 52 1HG GLU 52 10.965 10.289 -13.673 413 2HG GLU 52 2HG GLU 52 10.861 12.042 -13.779 414 HA PRO 53 HA PRO 53 9.829 11.359 -7.145 415 1HB PRO 53 1HB PRO 53 7.479 10.131 -6.463 416 2HB PRO 53 2HB PRO 53 7.571 11.697 -7.279 417 1HG PRO 53 1HG PRO 53 7.100 8.976 -8.442 418 2HG PRO 53 2HG PRO 53 6.285 10.508 -8.814 419 1HD PRO 53 1HD PRO 53 8.193 9.507 -10.408 420 2HD PRO 53 2HD PRO 53 8.029 11.253 -10.140 421 H SER 54 H SER 54 9.744 8.141 -8.356 422 HA SER 54 HA SER 54 10.165 6.964 -5.728 423 1HB SER 54 1HB SER 54 10.218 4.817 -7.162 424 2HB SER 54 2HB SER 54 8.684 5.674 -7.024 425 HG SER 54 HG SER 54 8.715 5.776 -9.107 426 H GLN 55 H GLN 55 11.867 4.923 -6.195 427 HA GLN 55 HA GLN 55 14.397 6.360 -6.476 428 1HB GLN 55 1HB GLN 55 13.875 3.571 -5.422 429 2HB GLN 55 2HB GLN 55 15.389 4.461 -5.315 430 1HG GLN 55 1HG GLN 55 14.291 6.135 -3.911 431 2HG GLN 55 2HG GLN 55 12.795 5.209 -3.990 432 1HE2 GLN 55 2HE2 GLN 55 12.724 4.909 -1.779 433 2HE2 GLN 55 1HE2 GLN 55 13.812 3.838 -0.951 434 H VAL 56 H VAL 56 12.449 4.862 -8.517 435 HA VAL 56 HA VAL 56 14.191 2.963 -9.765 436 HB VAL 56 HB VAL 56 11.801 4.252 -11.075 437 1HG1 VAL 56 1HG1 VAL 56 13.189 2.844 -12.491 438 2HG1 VAL 56 2HG1 VAL 56 11.617 2.096 -12.213 439 3HG1 VAL 56 3HG1 VAL 56 13.036 1.515 -11.341 440 1HG2 VAL 56 1HG2 VAL 56 10.418 2.464 -10.107 441 2HG2 VAL 56 2HG2 VAL 56 11.073 3.545 -8.877 442 3HG2 VAL 56 3HG2 VAL 56 11.791 1.954 -9.124 443 H HIS 57 H HIS 57 12.858 6.083 -10.817 444 HA HIS 57 HA HIS 57 13.529 7.647 -12.284 445 1HB HIS 57 1HB HIS 57 16.206 6.689 -11.308 446 2HB HIS 57 2HB HIS 57 16.050 8.000 -12.472 447 HD1 HIS 57 HD1 HIS 57 14.489 10.065 -11.598 448 HD2 HIS 57 HD2 HIS 57 16.026 7.490 -8.710 449 HE1 HIS 57 HE1 HIS 57 14.357 11.324 -9.424 450 H LEU 58 H LEU 58 12.505 6.251 -13.882 451 HA LEU 58 HA LEU 58 14.442 5.219 -15.829 452 1HB LEU 58 1HB LEU 58 11.468 4.749 -15.614 453 2HB LEU 58 2HB LEU 58 12.478 4.139 -16.909 454 HG LEU 58 HG LEU 58 12.624 3.365 -13.997 455 1HD1 LEU 58 1HD1 LEU 58 11.977 1.168 -14.796 456 2HD1 LEU 58 2HD1 LEU 58 11.915 1.770 -16.453 457 3HD1 LEU 58 3HD1 LEU 58 10.770 2.371 -15.255 458 1HD2 LEU 58 1HD2 LEU 58 14.341 2.470 -16.308 459 2HD2 LEU 58 2HD2 LEU 58 14.373 1.804 -14.675 460 3HD2 LEU 58 3HD2 LEU 58 14.863 3.475 -14.954 461 H LYS 59 H LYS 59 14.679 6.168 -17.748 462 HA LYS 59 HA LYS 59 13.009 8.528 -18.307 463 1HB LYS 59 1HB LYS 59 15.890 8.035 -19.102 464 2HB LYS 59 2HB LYS 59 14.977 9.524 -19.337 465 1HG LYS 59 1HG LYS 59 15.067 10.097 -17.114 466 2HG LYS 59 2HG LYS 59 15.284 8.431 -16.582 467 1HD LYS 59 1HD LYS 59 17.363 9.422 -16.221 468 2HD LYS 59 2HD LYS 59 17.561 8.555 -17.743 469 1HE LYS 59 1HE LYS 59 17.276 10.602 -18.984 470 2HE LYS 59 2HE LYS 59 16.933 11.488 -17.498 471 1HZ LYS 59 1HZ LYS 59 19.188 10.885 -16.727 472 2HZ LYS 59 2HZ LYS 59 19.194 11.864 -18.114 473 3HZ LYS 59 3HZ LYS 59 19.502 10.202 -18.248 474 H PHE 60 H PHE 60 11.595 7.998 -19.841 475 HA PHE 60 HA PHE 60 12.130 5.879 -21.722 476 1HB PHE 60 1HB PHE 60 9.762 7.713 -21.343 477 2HB PHE 60 2HB PHE 60 9.826 6.453 -22.569 478 HD1 PHE 60 HD1 PHE 60 9.382 4.208 -22.034 479 HD2 PHE 60 HD2 PHE 60 9.844 7.078 -18.926 480 HE1 PHE 60 HE1 PHE 60 8.537 2.574 -20.398 481 HE2 PHE 60 HE2 PHE 60 9.008 5.450 -17.286 482 HZ PHE 60 HZ PHE 60 8.353 3.194 -18.025 483 H GLU 61 H GLU 61 12.723 6.030 -23.786 484 HA GLU 61 HA GLU 61 12.784 8.710 -25.021 485 1HB GLU 61 1HB GLU 61 14.776 6.505 -24.969 486 2HB GLU 61 2HB GLU 61 14.600 7.374 -26.485 487 1HG GLU 61 1HG GLU 61 15.063 8.784 -23.881 488 2HG GLU 61 2HG GLU 61 16.385 8.178 -24.877 489 H LEU 62 H LEU 62 11.779 8.948 -26.932 490 HA LEU 62 HA LEU 62 10.680 6.520 -28.188 491 1HB LEU 62 1HB LEU 62 8.983 8.123 -27.459 492 2HB LEU 62 2HB LEU 62 9.758 9.388 -28.399 493 HG LEU 62 HG LEU 62 9.264 8.101 -30.476 494 1HD1 LEU 62 1HD1 LEU 62 7.701 6.333 -28.598 495 2HD1 LEU 62 2HD1 LEU 62 9.145 5.875 -29.503 496 3HD1 LEU 62 3HD1 LEU 62 7.654 6.268 -30.359 497 1HD2 LEU 62 1HD2 LEU 62 7.776 9.887 -29.766 498 2HD2 LEU 62 2HD2 LEU 62 6.887 8.764 -28.736 499 3HD2 LEU 62 3HD2 LEU 62 6.852 8.569 -30.489 500 H HIS 63 H HIS 63 11.984 5.868 -29.732 501 HA HIS 63 HA HIS 63 12.946 7.878 -31.659 502 1HB HIS 63 1HB HIS 63 14.264 5.344 -30.684 503 2HB HIS 63 2HB HIS 63 14.746 6.132 -32.185 504 HD1 HIS 63 HD1 HIS 63 16.019 8.339 -32.014 505 HD2 HIS 63 HD2 HIS 63 14.980 6.730 -28.327 506 HE1 HIS 63 HE1 HIS 63 17.343 9.636 -30.314 507 H ASP 64 H ASP 64 13.685 6.177 -33.697 508 HA ASP 64 HA ASP 64 11.144 4.843 -34.323 509 1HB ASP 64 1HB ASP 64 10.747 6.313 -35.947 510 2HB ASP 64 2HB ASP 64 12.226 7.173 -35.544 511 H LYS 65 H LYS 65 11.233 2.945 -35.313 512 HA LYS 65 HA LYS 65 13.856 1.704 -35.624 513 1HB LYS 65 1HB LYS 65 12.309 0.441 -34.313 514 2HB LYS 65 2HB LYS 65 11.038 0.628 -35.511 515 1HG LYS 65 1HG LYS 65 12.458 -0.739 -37.076 516 2HG LYS 65 2HG LYS 65 13.510 -1.071 -35.697 517 1HD LYS 65 1HD LYS 65 11.762 -2.167 -34.520 518 2HD LYS 65 2HD LYS 65 10.547 -1.611 -35.675 519 1HE LYS 65 1HE LYS 65 11.699 -2.960 -37.423 520 2HE LYS 65 2HE LYS 65 12.761 -3.600 -36.169 521 1HZ LYS 65 1HZ LYS 65 9.799 -3.867 -36.216 522 2HZ LYS 65 2HZ LYS 65 10.845 -4.523 -35.054 523 3HZ LYS 65 3HZ LYS 65 10.904 -5.083 -36.645 524 H LEU 66 H LEU 66 10.797 1.575 -37.400 525 HA LEU 66 HA LEU 66 12.027 2.289 -39.890 526 1HB LEU 66 1HB LEU 66 12.608 -0.096 -39.767 527 2HB LEU 66 2HB LEU 66 10.923 -0.498 -39.500 528 HG LEU 66 HG LEU 66 10.380 0.390 -41.744 529 1HD1 LEU 66 1HD1 LEU 66 13.371 0.664 -41.994 530 2HD1 LEU 66 2HD1 LEU 66 12.190 1.974 -42.005 531 3HD1 LEU 66 3HD1 LEU 66 12.220 0.802 -43.321 532 1HD2 LEU 66 1HD2 LEU 66 12.492 -1.758 -41.668 533 2HD2 LEU 66 2HD2 LEU 66 11.384 -1.461 -43.006 534 3HD2 LEU 66 3HD2 LEU 66 10.758 -1.985 -41.443 535 H ASN 67 H ASN 67 9.207 0.385 -38.814 536 HA ASN 67 HA ASN 67 7.487 2.577 -39.776 537 1HB ASN 67 1HB ASN 67 7.230 0.387 -40.994 538 2HB ASN 67 2HB ASN 67 6.703 -0.333 -39.478 539 1HD2 ASN 67 2HD2 ASN 67 5.915 2.927 -40.508 540 2HD2 ASN 67 1HD2 ASN 67 4.225 2.640 -40.748 541 H GLU 68 H GLU 68 8.558 0.730 -37.147 542 HA GLU 68 HA GLU 68 6.356 1.670 -35.461 543 1HB GLU 68 1HB GLU 68 8.562 -0.222 -34.654 544 2HB GLU 68 2HB GLU 68 7.045 0.080 -33.821 545 1HG GLU 68 1HG GLU 68 6.502 -1.872 -34.794 546 2HG GLU 68 2HG GLU 68 6.066 -0.806 -36.129 547 H TYR 69 H TYR 69 6.763 2.878 -33.633 548 HA TYR 69 HA TYR 69 9.322 4.287 -33.620 549 1HB TYR 69 1HB TYR 69 6.743 4.936 -32.165 550 2HB TYR 69 2HB TYR 69 8.179 5.956 -32.240 551 HD1 TYR 69 HD1 TYR 69 8.929 6.784 -34.540 552 HD2 TYR 69 HD2 TYR 69 5.087 5.103 -33.824 553 HE1 TYR 69 HE1 TYR 69 8.098 7.814 -36.615 554 HE2 TYR 69 HE2 TYR 69 4.246 6.128 -35.892 555 HH TYR 69 HH TYR 69 6.263 7.429 -38.267 556 H TYR 70 H TYR 70 10.810 3.493 -32.328 557 HA TYR 70 HA TYR 70 10.167 1.455 -30.424 558 1HB TYR 70 1HB TYR 70 12.413 2.214 -31.952 559 2HB TYR 70 2HB TYR 70 12.904 2.316 -30.265 560 HD1 TYR 70 HD1 TYR 70 10.858 -0.019 -32.355 561 HD2 TYR 70 HD2 TYR 70 13.959 0.428 -29.480 562 HE1 TYR 70 HE1 TYR 70 11.178 -2.456 -32.327 563 HE2 TYR 70 HE2 TYR 70 14.290 -2.007 -29.448 564 HH TYR 70 HH TYR 70 13.141 -4.031 -29.964 565 H VAL 71 H VAL 71 9.562 1.824 -28.430 566 HA VAL 71 HA VAL 71 10.427 4.268 -27.068 567 HB VAL 71 HB VAL 71 8.456 2.222 -26.045 568 1HG1 VAL 71 1HG1 VAL 71 8.910 5.124 -25.365 569 2HG1 VAL 71 2HG1 VAL 71 9.344 3.733 -24.371 570 3HG1 VAL 71 3HG1 VAL 71 7.648 4.098 -24.684 571 1HG2 VAL 71 1HG2 VAL 71 6.664 3.655 -26.904 572 2HG2 VAL 71 2HG2 VAL 71 7.665 3.015 -28.208 573 3HG2 VAL 71 3HG2 VAL 71 7.863 4.686 -27.682 574 H LYS 72 H LYS 72 12.457 3.889 -26.291 575 HA LYS 72 HA LYS 72 12.902 1.347 -24.899 576 1HB LYS 72 1HB LYS 72 15.327 1.908 -25.077 577 2HB LYS 72 2HB LYS 72 14.518 1.668 -26.617 578 1HG LYS 72 1HG LYS 72 14.365 4.116 -26.883 579 2HG LYS 72 2HG LYS 72 15.266 4.306 -25.374 580 1HD LYS 72 1HD LYS 72 16.726 4.493 -27.344 581 2HD LYS 72 2HD LYS 72 17.161 3.114 -26.332 582 1HE LYS 72 1HE LYS 72 15.872 1.645 -27.853 583 2HE LYS 72 2HE LYS 72 15.550 3.041 -28.879 584 1HZ LYS 72 1HZ LYS 72 17.948 3.279 -29.208 585 2HZ LYS 72 2HZ LYS 72 17.383 1.777 -29.749 586 3HZ LYS 72 3HZ LYS 72 18.218 1.883 -28.277 587 H VAL 73 H VAL 73 13.602 1.247 -22.844 588 HA VAL 73 HA VAL 73 13.144 3.664 -21.266 589 HB VAL 73 HB VAL 73 13.439 0.818 -20.293 590 1HG1 VAL 73 1HG1 VAL 73 12.342 3.284 -18.946 591 2HG1 VAL 73 2HG1 VAL 73 13.887 2.507 -18.598 592 3HG1 VAL 73 3HG1 VAL 73 12.377 1.661 -18.259 593 1HG2 VAL 73 1HG2 VAL 73 11.522 0.981 -21.787 594 2HG2 VAL 73 2HG2 VAL 73 10.917 2.371 -20.885 595 3HG2 VAL 73 3HG2 VAL 73 10.992 0.785 -20.117 596 H ILE 74 H ILE 74 14.880 4.807 -20.752 597 HA ILE 74 HA ILE 74 17.435 3.409 -20.351 598 HB ILE 74 HB ILE 74 16.908 6.359 -20.772 599 1HG1 ILE 74 1HG1 ILE 74 18.047 4.279 -22.659 600 2HG1 ILE 74 2HG1 ILE 74 16.438 4.983 -22.770 601 1HG2 ILE 74 1HG2 ILE 74 18.906 5.958 -19.438 602 2HG2 ILE 74 2HG2 ILE 74 19.337 6.541 -21.046 603 3HG2 ILE 74 3HG2 ILE 74 19.505 4.830 -20.652 604 1HD1 ILE 74 1HD1 ILE 74 19.035 6.473 -23.062 605 2HD1 ILE 74 2HD1 ILE 74 17.421 7.174 -23.187 606 3HD1 ILE 74 3HD1 ILE 74 17.961 5.983 -24.372 607 H GLU 75 H GLU 75 17.814 2.926 -18.279 608 HA GLU 75 HA GLU 75 16.462 4.239 -16.124 609 1HB GLU 75 1HB GLU 75 17.196 1.846 -16.076 610 2HB GLU 75 2HB GLU 75 18.862 2.402 -15.990 611 1HG GLU 75 1HG GLU 75 18.289 3.594 -13.885 612 2HG GLU 75 2HG GLU 75 16.693 2.849 -13.956 613 H ASP 76 H ASP 76 17.229 5.790 -14.725 614 HA ASP 76 HA ASP 76 19.439 7.367 -15.709 615 1HB ASP 76 1HB ASP 76 17.334 8.364 -14.769 616 2HB ASP 76 2HB ASP 76 17.833 7.789 -13.183 617 H SER 77 H SER 77 18.788 5.200 -13.049 618 HA SER 77 HA SER 77 20.908 5.842 -11.362 619 1HB SER 77 1HB SER 77 19.664 3.114 -11.755 620 2HB SER 77 2HB SER 77 20.507 3.697 -10.317 621 HG SER 77 HG SER 77 17.936 3.923 -10.872 622 H THR 78 H THR 78 20.789 3.054 -13.625 623 HA THR 78 HA THR 78 23.661 2.797 -13.548 624 HB THR 78 HB THR 78 23.199 1.104 -15.429 625 HG1 THR 78 HG1 THR 78 20.525 1.239 -14.496 626 1HG2 THR 78 1HG2 THR 78 23.620 0.410 -13.136 627 2HG2 THR 78 2HG2 THR 78 22.333 -0.573 -13.839 628 3HG2 THR 78 3HG2 THR 78 21.936 0.726 -12.713 629 H ASN 79 H ASN 79 21.352 4.485 -15.400 630 HA ASN 79 HA ASN 79 21.433 5.885 -17.162 631 1HB ASN 79 1HB ASN 79 23.366 6.787 -15.739 632 2HB ASN 79 2HB ASN 79 24.432 5.968 -16.879 633 1HD2 ASN 79 2HD2 ASN 79 22.176 8.565 -16.417 634 2HD2 ASN 79 1HD2 ASN 79 22.536 9.417 -17.881 635 H GLU 80 H GLU 80 20.865 3.724 -18.148 636 HA GLU 80 HA GLU 80 22.203 3.515 -20.656 637 1HB GLU 80 1HB GLU 80 22.832 1.142 -20.496 638 2HB GLU 80 2HB GLU 80 23.735 2.123 -19.350 639 1HG GLU 80 1HG GLU 80 22.242 1.406 -17.557 640 2HG GLU 80 2HG GLU 80 21.338 0.422 -18.708 641 H VAL 81 H VAL 81 21.055 2.067 -22.129 642 HA VAL 81 HA VAL 81 18.236 2.003 -21.681 643 HB VAL 81 HB VAL 81 19.807 0.523 -23.808 644 1HG1 VAL 81 1HG1 VAL 81 17.718 0.559 -25.069 645 2HG1 VAL 81 2HG1 VAL 81 16.908 1.358 -23.721 646 3HG1 VAL 81 3HG1 VAL 81 17.521 -0.286 -23.533 647 1HG2 VAL 81 1HG2 VAL 81 18.575 3.279 -23.922 648 2HG2 VAL 81 2HG2 VAL 81 19.337 2.429 -25.266 649 3HG2 VAL 81 3HG2 VAL 81 20.301 2.917 -23.873 650 H ILE 82 H ILE 82 17.097 0.522 -20.609 651 HA ILE 82 HA ILE 82 18.369 -2.095 -20.126 652 HB ILE 82 HB ILE 82 17.032 -2.234 -18.053 653 1HG1 ILE 82 1HG1 ILE 82 16.398 0.678 -18.565 654 2HG1 ILE 82 2HG1 ILE 82 15.250 -0.634 -18.807 655 1HG2 ILE 82 1HG2 ILE 82 18.366 -0.620 -16.767 656 2HG2 ILE 82 2HG2 ILE 82 18.818 0.184 -18.270 657 3HG2 ILE 82 3HG2 ILE 82 19.338 -1.474 -17.967 658 1HD1 ILE 82 1HD1 ILE 82 14.847 0.456 -16.696 659 2HD1 ILE 82 2HD1 ILE 82 16.518 0.179 -16.202 660 3HD1 ILE 82 3HD1 ILE 82 15.423 -1.187 -16.416 661 H ARG 83 H ARG 83 15.824 -0.635 -21.753 662 HA ARG 83 HA ARG 83 14.545 -3.187 -22.179 663 1HB ARG 83 1HB ARG 83 13.490 -2.276 -20.084 664 2HB ARG 83 2HB ARG 83 12.895 -0.923 -21.038 665 1HG ARG 83 1HG ARG 83 11.138 -2.530 -20.784 666 2HG ARG 83 2HG ARG 83 11.670 -2.540 -22.467 667 1HD ARG 83 1HD ARG 83 13.078 -4.503 -21.976 668 2HD ARG 83 2HD ARG 83 12.462 -4.507 -20.327 669 HE ARG 83 HE ARG 83 10.256 -4.609 -21.992 670 1HH1 ARG 83 1HH1 ARG 83 13.071 -6.555 -21.322 671 2HH1 ARG 83 2HH1 ARG 83 12.300 -8.063 -21.712 672 1HH2 ARG 83 1HH2 ARG 83 9.210 -6.593 -22.505 673 2HH2 ARG 83 2HH2 ARG 83 10.088 -8.082 -22.347 674 H GLU 84 H GLU 84 13.567 -3.307 -24.144 675 HA GLU 84 HA GLU 84 13.180 -0.783 -25.629 676 1HB GLU 84 1HB GLU 84 13.770 -3.458 -26.896 677 2HB GLU 84 2HB GLU 84 13.811 -1.874 -27.656 678 1HG GLU 84 1HG GLU 84 15.998 -1.875 -27.312 679 2HG GLU 84 2HG GLU 84 15.658 -1.704 -25.588 680 H ILE 85 H ILE 85 11.048 -0.397 -25.823 681 HA ILE 85 HA ILE 85 9.233 -2.715 -25.943 682 HB ILE 85 HB ILE 85 8.632 0.079 -24.962 683 1HG1 ILE 85 1HG1 ILE 85 8.969 -2.492 -23.396 684 2HG1 ILE 85 2HG1 ILE 85 10.157 -1.195 -23.475 685 1HG2 ILE 85 1HG2 ILE 85 6.520 -0.889 -24.167 686 2HG2 ILE 85 2HG2 ILE 85 6.949 -2.425 -24.923 687 3HG2 ILE 85 3HG2 ILE 85 6.674 -0.996 -25.921 688 1HD1 ILE 85 1HD1 ILE 85 8.545 0.319 -22.414 689 2HD1 ILE 85 2HD1 ILE 85 8.905 -1.087 -21.413 690 3HD1 ILE 85 3HD1 ILE 85 7.390 -1.009 -22.310 691 HA PRO 86 HA PRO 86 8.069 -1.113 -29.990 692 1HB PRO 86 1HB PRO 86 6.274 -3.078 -30.531 693 2HB PRO 86 2HB PRO 86 8.016 -3.291 -30.731 694 1HG PRO 86 1HG PRO 86 6.239 -4.189 -28.504 695 2HG PRO 86 2HG PRO 86 7.595 -5.036 -29.268 696 1HD PRO 86 1HD PRO 86 7.783 -3.747 -26.872 697 2HD PRO 86 2HD PRO 86 9.152 -3.963 -27.979 698 HA PRO 87 HA PRO 87 4.720 1.358 -28.631 699 1HB PRO 87 1HB PRO 87 3.585 1.983 -31.057 700 2HB PRO 87 2HB PRO 87 5.034 2.754 -30.406 701 1HG PRO 87 1HG PRO 87 4.800 0.531 -32.397 702 2HG PRO 87 2HG PRO 87 5.885 1.933 -32.404 703 1HD PRO 87 1HD PRO 87 6.746 -0.493 -31.657 704 2HD PRO 87 2HD PRO 87 7.329 0.982 -30.854 705 H LYS 88 H LYS 88 4.006 -1.315 -30.802 706 HA LYS 88 HA LYS 88 1.180 -1.176 -30.176 707 1HB LYS 88 1HB LYS 88 1.050 -3.233 -31.639 708 2HB LYS 88 2HB LYS 88 1.575 -1.751 -32.419 709 1HG LYS 88 1HG LYS 88 3.939 -2.567 -32.139 710 2HG LYS 88 2HG LYS 88 3.255 -4.114 -31.625 711 1HD LYS 88 1HD LYS 88 2.060 -4.303 -33.736 712 2HD LYS 88 2HD LYS 88 2.692 -2.741 -34.250 713 1HE LYS 88 1HE LYS 88 4.976 -3.658 -34.135 714 2HE LYS 88 2HE LYS 88 4.303 -5.226 -33.689 715 1HZ LYS 88 1HZ LYS 88 3.870 -3.770 -36.241 716 2HZ LYS 88 2HZ LYS 88 3.073 -5.204 -35.813 717 3HZ LYS 88 3HZ LYS 88 4.759 -5.199 -36.027 718 H ARG 89 H ARG 89 3.691 -2.147 -28.460 719 HA ARG 89 HA ARG 89 2.042 -4.124 -27.018 720 1HB ARG 89 1HB ARG 89 5.045 -4.001 -27.299 721 2HB ARG 89 2HB ARG 89 4.241 -4.955 -26.061 722 1HG ARG 89 1HG ARG 89 3.770 -5.293 -29.012 723 2HG ARG 89 2HG ARG 89 4.932 -6.227 -28.079 724 1HD ARG 89 1HD ARG 89 3.034 -7.596 -28.136 725 2HD ARG 89 2HD ARG 89 2.960 -6.822 -26.559 726 HE ARG 89 HE ARG 89 1.506 -5.276 -28.396 727 1HH1 ARG 89 1HH1 ARG 89 1.340 -8.391 -26.815 728 2HH1 ARG 89 2HH1 ARG 89 -0.391 -8.390 -26.722 729 1HH2 ARG 89 1HH2 ARG 89 -0.766 -5.292 -28.320 730 2HH2 ARG 89 2HH2 ARG 89 -1.601 -6.641 -27.627 731 H TRP 90 H TRP 90 2.880 -1.088 -27.108 732 HA TRP 90 HA TRP 90 3.842 -0.453 -24.536 733 1HB TRP 90 1HB TRP 90 3.946 1.156 -26.354 734 2HB TRP 90 2HB TRP 90 2.193 1.165 -26.494 735 HD1 TRP 90 HD1 TRP 90 0.924 2.920 -25.095 736 HE1 TRP 90 HE1 TRP 90 1.584 4.655 -23.317 737 HE3 TRP 90 HE3 TRP 90 5.756 1.456 -24.307 738 HZ2 TRP 90 HZ2 TRP 90 3.866 5.316 -21.783 739 HZ3 TRP 90 HZ3 TRP 90 7.108 2.694 -22.669 740 HH2 TRP 90 HH2 TRP 90 6.182 4.583 -21.435 741 H LEU 91 H LEU 91 0.686 -1.175 -25.797 742 HA LEU 91 HA LEU 91 -0.962 -0.172 -23.779 743 1HB LEU 91 1HB LEU 91 -1.290 -2.674 -25.442 744 2HB LEU 91 2HB LEU 91 -2.563 -1.930 -24.494 745 HG LEU 91 HG LEU 91 -1.163 -0.626 -26.830 746 1HD1 LEU 91 1HD1 LEU 91 -2.529 -2.488 -27.561 747 2HD1 LEU 91 2HD1 LEU 91 -3.294 -0.960 -27.998 748 3HD1 LEU 91 3HD1 LEU 91 -3.894 -1.884 -26.621 749 1HD2 LEU 91 1HD2 LEU 91 -2.944 1.045 -26.647 750 2HD2 LEU 91 2HD2 LEU 91 -1.955 0.987 -25.188 751 3HD2 LEU 91 3HD2 LEU 91 -3.551 0.237 -25.202 752 H ASP 92 H ASP 92 0.628 -3.317 -24.079 753 HA ASP 92 HA ASP 92 -0.346 -4.532 -21.764 754 1HB ASP 92 1HB ASP 92 2.414 -4.928 -22.939 755 2HB ASP 92 2HB ASP 92 1.472 -6.089 -22.009 756 H PHE 93 H PHE 93 2.652 -2.726 -22.295 757 HA PHE 93 HA PHE 93 3.592 -2.846 -19.649 758 1HB PHE 93 1HB PHE 93 5.091 -2.266 -21.453 759 2HB PHE 93 2HB PHE 93 4.129 -0.849 -21.857 760 HD1 PHE 93 HD1 PHE 93 6.252 -2.317 -19.186 761 HD2 PHE 93 HD2 PHE 93 4.578 1.212 -20.885 762 HE1 PHE 93 HE1 PHE 93 7.644 -0.939 -17.698 763 HE2 PHE 93 HE2 PHE 93 5.970 2.593 -19.400 764 HZ PHE 93 HZ PHE 93 7.505 1.520 -17.802 765 H TYR 94 H TYR 94 1.650 -0.420 -21.346 766 HA TYR 94 HA TYR 94 1.483 1.461 -19.275 767 1HB TYR 94 1HB TYR 94 0.814 1.967 -21.573 768 2HB TYR 94 2HB TYR 94 -0.520 0.828 -21.453 769 HD1 TYR 94 HD1 TYR 94 0.792 3.962 -19.925 770 HD2 TYR 94 HD2 TYR 94 -2.618 1.565 -20.765 771 HE1 TYR 94 HE1 TYR 94 -0.670 5.762 -19.109 772 HE2 TYR 94 HE2 TYR 94 -4.089 3.361 -19.956 773 HH TYR 94 HH TYR 94 -4.003 5.288 -18.496 774 H ALA 95 H ALA 95 -0.517 -1.363 -20.004 775 HA ALA 95 HA ALA 95 -2.489 -0.964 -18.044 776 1HB ALA 95 1HB ALA 95 -2.970 -3.339 -18.289 777 2HB ALA 95 2HB ALA 95 -1.435 -3.577 -19.124 778 3HB ALA 95 3HB ALA 95 -2.697 -2.593 -19.864 779 H ALA 96 H ALA 96 0.501 -2.895 -17.923 780 HA ALA 96 HA ALA 96 0.298 -3.744 -15.272 781 1HB ALA 96 1HB ALA 96 1.899 -4.666 -16.885 782 2HB ALA 96 2HB ALA 96 2.688 -4.170 -15.386 783 3HB ALA 96 3HB ALA 96 2.813 -3.159 -16.826 784 H MET 97 H MET 97 1.762 -0.818 -16.619 785 HA MET 97 HA MET 97 2.826 0.217 -14.237 786 1HB MET 97 1HB MET 97 1.877 1.579 -16.757 787 2HB MET 97 2HB MET 97 2.641 2.447 -15.433 788 1HG MET 97 1HG MET 97 3.914 0.146 -16.884 789 2HG MET 97 2HG MET 97 4.161 1.840 -17.304 790 1HE MET 97 1HE MET 97 4.274 3.340 -14.617 791 2HE MET 97 2HE MET 97 5.515 3.557 -15.851 792 3HE MET 97 3HE MET 97 5.979 3.255 -14.177 793 H THR 98 H THR 98 -0.334 0.737 -15.761 794 HA THR 98 HA THR 98 -1.232 2.633 -13.850 795 HB THR 98 HB THR 98 -2.965 0.854 -15.580 796 HG1 THR 98 HG1 THR 98 -1.467 1.914 -16.910 797 1HG2 THR 98 1HG2 THR 98 -4.174 2.134 -13.868 798 2HG2 THR 98 2HG2 THR 98 -4.534 2.734 -15.487 799 3HG2 THR 98 3HG2 THR 98 -3.420 3.620 -14.446 800 H GLU 99 H GLU 99 -1.522 -0.874 -14.109 801 HA GLU 99 HA GLU 99 -3.272 -1.224 -11.912 802 1HB GLU 99 1HB GLU 99 -1.295 -3.064 -13.251 803 2HB GLU 99 2HB GLU 99 -2.307 -3.581 -11.911 804 1HG GLU 99 1HG GLU 99 -3.406 -2.444 -14.464 805 2HG GLU 99 2HG GLU 99 -3.133 -4.166 -14.206 806 H PHE 100 H PHE 100 0.277 -1.232 -12.160 807 HA PHE 100 HA PHE 100 0.515 -1.940 -9.373 808 1HB PHE 100 1HB PHE 100 2.125 -2.758 -11.075 809 2HB PHE 100 2HB PHE 100 2.686 -1.103 -11.301 810 HD1 PHE 100 HD1 PHE 100 4.356 -0.220 -9.933 811 HD2 PHE 100 HD2 PHE 100 2.336 -3.776 -8.758 812 HE1 PHE 100 HE1 PHE 100 5.947 -0.507 -8.080 813 HE2 PHE 100 HE2 PHE 100 3.921 -4.069 -6.902 814 HZ PHE 100 HZ PHE 100 5.729 -2.432 -6.559 815 H LEU 101 H LEU 101 1.534 0.946 -11.286 816 HA LEU 101 HA LEU 101 2.186 2.289 -8.811 817 1HB LEU 101 1HB LEU 101 2.361 3.193 -11.684 818 2HB LEU 101 2HB LEU 101 2.695 4.258 -10.336 819 HG LEU 101 HG LEU 101 4.386 2.364 -9.654 820 1HD1 LEU 101 1HD1 LEU 101 3.713 0.796 -11.389 821 2HD1 LEU 101 2HD1 LEU 101 5.393 1.291 -11.589 822 3HD1 LEU 101 3HD1 LEU 101 4.144 1.975 -12.628 823 1HD2 LEU 101 1HD2 LEU 101 4.958 4.676 -10.205 824 2HD2 LEU 101 2HD2 LEU 101 4.919 4.273 -11.922 825 3HD2 LEU 101 3HD2 LEU 101 6.127 3.535 -10.868 826 H GLY 102 H GLY 102 -0.566 2.006 -10.793 827 1HA GLY 102 1HA GLY 102 -1.608 4.626 -10.272 828 2HA GLY 102 2HA GLY 102 -2.466 3.320 -11.042 829 H LEU 103 H LEU 103 -1.319 2.026 -8.237 830 HA LEU 103 HA LEU 103 -3.723 2.854 -6.775 831 1HB LEU 103 1HB LEU 103 -3.217 0.874 -5.284 832 2HB LEU 103 2HB LEU 103 -3.774 0.532 -6.907 833 HG LEU 103 HG LEU 103 -1.307 0.176 -7.502 834 1HD1 LEU 103 1HD1 LEU 103 0.157 -0.454 -5.683 835 2HD1 LEU 103 2HD1 LEU 103 -1.091 -0.049 -4.505 836 3HD1 LEU 103 3HD1 LEU 103 -0.364 1.220 -5.492 837 1HD2 LEU 103 1HD2 LEU 103 -1.368 -2.126 -6.655 838 2HD2 LEU 103 2HD2 LEU 103 -2.918 -1.629 -7.336 839 3HD2 LEU 103 3HD2 LEU 103 -2.701 -1.689 -5.586 840 H PHE 104 H PHE 104 -0.488 3.530 -6.951 841 HA PHE 104 HA PHE 104 -0.218 4.314 -4.148 842 1HB PHE 104 1HB PHE 104 1.615 4.704 -6.529 843 2HB PHE 104 2HB PHE 104 1.983 5.249 -4.901 844 HD1 PHE 104 HD1 PHE 104 2.666 3.692 -3.198 845 HD2 PHE 104 HD2 PHE 104 1.677 2.352 -7.110 846 HE1 PHE 104 HE1 PHE 104 3.754 1.537 -2.730 847 HE2 PHE 104 HE2 PHE 104 2.759 0.190 -6.646 848 HZ PHE 104 HZ PHE 104 3.802 -0.218 -4.451 849 H VAL 105 H VAL 105 -1.472 5.494 -7.022 850 HA VAL 105 HA VAL 105 -0.742 8.282 -6.504 851 HB VAL 105 HB VAL 105 -1.354 8.678 -8.849 852 1HG1 VAL 105 1HG1 VAL 105 0.951 8.125 -8.307 853 2HG1 VAL 105 2HG1 VAL 105 0.501 7.465 -9.878 854 3HG1 VAL 105 3HG1 VAL 105 0.586 6.407 -8.471 855 1HG2 VAL 105 1HG2 VAL 105 -1.923 5.734 -8.875 856 2HG2 VAL 105 2HG2 VAL 105 -1.767 6.735 -10.319 857 3HG2 VAL 105 3HG2 VAL 105 -3.065 7.047 -9.166 858 H ASP 106 H ASP 106 -2.285 9.938 -6.920 859 HA ASP 106 HA ASP 106 -5.095 9.216 -6.951 860 1HB ASP 106 1HB ASP 106 -4.645 9.283 -4.557 861 2HB ASP 106 2HB ASP 106 -3.873 10.856 -4.715 862 H GLU 107 H GLU 107 -4.730 10.129 -9.056 863 HA GLU 107 HA GLU 107 -4.968 11.769 -10.628 864 1HB GLU 107 1HB GLU 107 -7.165 11.485 -9.176 865 2HB GLU 107 2HB GLU 107 -6.848 13.168 -8.791 866 1HG GLU 107 1HG GLU 107 -7.094 12.090 -11.589 867 2HG GLU 107 2HG GLU 107 -8.417 12.814 -10.680 868 H LYS 108 H LYS 108 -5.455 13.804 -7.798 869 HA LYS 108 HA LYS 108 -4.437 16.149 -8.829 870 1HB LYS 108 1HB LYS 108 -4.446 15.236 -5.943 871 2HB LYS 108 2HB LYS 108 -4.192 16.888 -6.469 872 1HG LYS 108 1HG LYS 108 -6.424 16.724 -5.695 873 2HG LYS 108 2HG LYS 108 -6.492 16.847 -7.452 874 1HD LYS 108 1HD LYS 108 -7.074 14.587 -7.697 875 2HD LYS 108 2HD LYS 108 -6.545 14.178 -6.063 876 1HE LYS 108 1HE LYS 108 -8.810 16.079 -6.567 877 2HE LYS 108 2HE LYS 108 -9.063 14.333 -6.531 878 1HZ LYS 108 1HZ LYS 108 -7.692 15.707 -4.303 879 2HZ LYS 108 2HZ LYS 108 -8.506 14.220 -4.298 880 3HZ LYS 108 3HZ LYS 108 -9.382 15.668 -4.385 881 H LYS 109 H LYS 109 -2.794 13.528 -7.153 882 HA LYS 109 HA LYS 109 -0.299 15.037 -7.087 883 1HB LYS 109 1HB LYS 109 -0.880 12.258 -6.042 884 2HB LYS 109 2HB LYS 109 0.584 13.185 -5.755 885 1HG LYS 109 1HG LYS 109 -0.497 13.618 -3.810 886 2HG LYS 109 2HG LYS 109 -1.158 14.932 -4.782 887 1HD LYS 109 1HD LYS 109 -3.105 13.480 -5.316 888 2HD LYS 109 2HD LYS 109 -2.461 12.272 -4.203 889 1HE LYS 109 1HE LYS 109 -2.520 14.049 -2.422 890 2HE LYS 109 2HE LYS 109 -3.418 15.054 -3.560 891 1HZ LYS 109 1HZ LYS 109 -5.070 13.205 -3.693 892 2HZ LYS 109 2HZ LYS 109 -4.973 13.950 -2.172 893 3HZ LYS 109 3HZ LYS 109 -4.243 12.441 -2.423 894 H LEU 110 H LEU 110 -1.730 13.550 -9.484 895 HA LEU 110 HA LEU 110 0.303 11.747 -10.402 896 1HB LEU 110 1HB LEU 110 -2.005 13.075 -11.817 897 2HB LEU 110 2HB LEU 110 -0.916 11.952 -12.602 898 HG LEU 110 HG LEU 110 -2.738 11.309 -10.286 899 1HD1 LEU 110 1HD1 LEU 110 -3.943 9.962 -11.930 900 2HD1 LEU 110 2HD1 LEU 110 -2.851 10.523 -13.197 901 3HD1 LEU 110 3HD1 LEU 110 -3.927 11.665 -12.389 902 1HD2 LEU 110 1HD2 LEU 110 -2.037 9.001 -10.680 903 2HD2 LEU 110 2HD2 LEU 110 -0.677 10.021 -10.211 904 3HD2 LEU 110 3HD2 LEU 110 -0.891 9.558 -11.900 905 H GLU 111 H GLU 111 -0.342 15.122 -10.683 906 HA GLU 111 HA GLU 111 0.531 16.849 -11.845 907 1HB GLU 111 1HB GLU 111 2.700 15.813 -10.876 908 2HB GLU 111 2HB GLU 111 2.959 15.188 -12.500 909 1HG GLU 111 1HG GLU 111 2.778 17.504 -13.356 910 2HG GLU 111 2HG GLU 111 2.698 18.072 -11.694 911 H HIS 112 H HIS 112 -0.772 14.344 -13.106 912 HA HIS 112 HA HIS 112 -0.008 14.718 -15.907 913 1HB HIS 112 1HB HIS 112 -2.078 12.852 -14.708 914 2HB HIS 112 2HB HIS 112 -1.567 12.872 -16.388 915 HD1 HIS 112 HD1 HIS 112 -1.315 10.238 -15.310 916 HD2 HIS 112 HD2 HIS 112 1.659 13.058 -14.592 917 HE1 HIS 112 HE1 HIS 112 0.718 8.920 -14.636 918 H HIS 113 H HIS 113 -3.130 14.321 -14.300 919 HA HIS 113 HA HIS 113 -4.308 16.310 -16.074 920 1HB HIS 113 1HB HIS 113 -5.396 14.093 -15.766 921 2HB HIS 113 2HB HIS 113 -5.610 14.457 -14.061 922 HD1 HIS 113 HD1 HIS 113 -8.166 14.125 -14.417 923 HD2 HIS 113 HD2 HIS 113 -6.534 17.319 -16.530 924 HE1 HIS 113 HE1 HIS 113 -10.125 15.501 -15.191 925 H HIS 114 H HIS 114 -4.630 15.530 -12.593 926 HA HIS 114 HA HIS 114 -4.635 16.822 -10.731 927 1HB HIS 114 1HB HIS 114 -2.404 17.527 -11.539 928 2HB HIS 114 2HB HIS 114 -3.154 18.831 -12.447 929 HD1 HIS 114 HD1 HIS 114 -2.212 17.814 -8.965 930 HD2 HIS 114 HD2 HIS 114 -3.877 21.075 -10.932 931 HE1 HIS 114 HE1 HIS 114 -2.184 19.695 -7.304 932 H HIS 115 H HIS 115 -6.938 16.872 -11.068 933 HA HIS 115 HA HIS 115 -7.906 19.629 -11.382 934 1HB HIS 115 1HB HIS 115 -8.359 18.665 -13.528 935 2HB HIS 115 2HB HIS 115 -8.962 17.178 -12.812 936 HD1 HIS 115 HD1 HIS 115 -9.938 20.768 -13.416 937 HD2 HIS 115 HD2 HIS 115 -11.655 17.182 -12.189 938 HE1 HIS 115 HE1 HIS 115 -12.418 21.186 -13.353 939 H HIS 116 H HIS 116 -9.139 16.375 -10.791 940 HA HIS 116 HA HIS 116 -9.972 16.407 -8.217 941 1HB HIS 116 1HB HIS 116 -11.162 18.564 -8.770 942 2HB HIS 116 2HB HIS 116 -12.141 17.682 -9.933 943 HD1 HIS 116 HD1 HIS 116 -14.255 16.686 -9.073 944 HD2 HIS 116 HD2 HIS 116 -11.625 17.681 -6.008 945 HE1 HIS 116 HE1 HIS 116 -15.540 16.346 -6.936 946 H HIS 117 H HIS 117 -9.393 14.909 -10.764 947 HA HIS 117 HA HIS 117 -10.079 13.217 -12.094 948 1HB HIS 117 1HB HIS 117 -10.411 11.938 -10.050 949 2HB HIS 117 2HB HIS 117 -11.988 12.681 -9.798 950 HD1 HIS 117 HD1 HIS 117 -13.917 11.391 -10.639 951 HD2 HIS 117 HD2 HIS 117 -10.378 10.311 -12.539 952 HE1 HIS 117 HE1 HIS 117 -14.515 9.458 -12.138 Start of MODEL 11 1 HA LEU 1 HA LEU 1 4.891 -0.423 -0.225 2 1HB LEU 1 1HB LEU 1 1.936 -0.109 0.313 3 2HB LEU 1 2HB LEU 1 2.687 0.132 -1.251 4 HG LEU 1 HG LEU 1 2.648 -2.476 0.273 5 1HD1 LEU 1 1HD1 LEU 1 1.081 -3.201 -1.456 6 2HD1 LEU 1 2HD1 LEU 1 1.102 -1.584 -2.160 7 3HD1 LEU 1 3HD1 LEU 1 0.439 -1.835 -0.543 8 1HD2 LEU 1 1HD2 LEU 1 3.522 -3.432 -1.805 9 2HD2 LEU 1 2HD2 LEU 1 4.633 -2.237 -1.134 10 3HD2 LEU 1 3HD2 LEU 1 3.616 -1.817 -2.513 11 H ASN 2 H ASN 2 5.913 1.421 -0.585 12 HA ASN 2 HA ASN 2 4.366 3.877 -0.406 13 1HB ASN 2 1HB ASN 2 5.580 3.900 1.701 14 2HB ASN 2 2HB ASN 2 7.092 3.562 0.866 15 1HD2 ASN 2 2HD2 ASN 2 8.030 5.435 1.694 16 2HD2 ASN 2 1HD2 ASN 2 7.622 6.993 1.085 17 H ILE 3 H ILE 3 4.718 5.163 -2.132 18 HA ILE 3 HA ILE 3 6.093 4.049 -4.341 19 HB ILE 3 HB ILE 3 4.095 5.440 -4.623 20 1HG1 ILE 3 1HG1 ILE 3 6.481 6.723 -5.960 21 2HG1 ILE 3 2HG1 ILE 3 5.775 5.190 -6.462 22 1HG2 ILE 3 1HG2 ILE 3 5.849 7.709 -3.701 23 2HG2 ILE 3 2HG2 ILE 3 4.423 7.069 -2.883 24 3HG2 ILE 3 3HG2 ILE 3 4.255 7.899 -4.430 25 1HD1 ILE 3 1HD1 ILE 3 4.371 7.852 -6.448 26 2HD1 ILE 3 2HD1 ILE 3 3.682 6.318 -6.978 27 3HD1 ILE 3 3HD1 ILE 3 5.028 7.032 -7.863 28 H GLU 4 H GLU 4 6.982 6.410 -1.923 29 HA GLU 4 HA GLU 4 9.196 7.475 -3.377 30 1HB GLU 4 1HB GLU 4 8.561 7.581 -0.427 31 2HB GLU 4 2HB GLU 4 9.835 8.501 -1.218 32 1HG GLU 4 1HG GLU 4 8.073 9.545 -2.651 33 2HG GLU 4 2HG GLU 4 6.868 8.748 -1.639 34 H ARG 5 H ARG 5 8.751 4.492 -1.999 35 HA ARG 5 HA ARG 5 11.652 4.166 -1.580 36 1HB ARG 5 1HB ARG 5 9.524 2.354 -0.434 37 2HB ARG 5 2HB ARG 5 11.234 2.405 -0.027 38 1HG ARG 5 1HG ARG 5 10.876 4.678 0.916 39 2HG ARG 5 2HG ARG 5 9.146 4.463 0.643 40 1HD ARG 5 1HD ARG 5 9.304 2.370 2.038 41 2HD ARG 5 2HD ARG 5 10.941 2.869 2.459 42 HE ARG 5 HE ARG 5 8.445 4.100 3.338 43 1HH1 ARG 5 1HH1 ARG 5 11.956 4.180 3.310 44 2HH1 ARG 5 2HH1 ARG 5 12.060 5.327 4.615 45 1HH2 ARG 5 1HH2 ARG 5 8.588 5.566 5.056 46 2HH2 ARG 5 2HH2 ARG 5 10.143 6.105 5.615 47 H LEU 6 H LEU 6 9.485 3.871 -3.837 48 HA LEU 6 HA LEU 6 9.648 1.107 -4.579 49 1HB LEU 6 1HB LEU 6 7.693 2.411 -5.155 50 2HB LEU 6 2HB LEU 6 8.671 3.540 -6.072 51 HG LEU 6 HG LEU 6 9.220 1.711 -7.657 52 1HD1 LEU 6 1HD1 LEU 6 7.178 0.165 -6.070 53 2HD1 LEU 6 2HD1 LEU 6 8.905 -0.185 -6.162 54 3HD1 LEU 6 3HD1 LEU 6 7.895 -0.343 -7.600 55 1HD2 LEU 6 1HD2 LEU 6 6.998 1.637 -8.722 56 2HD2 LEU 6 2HD2 LEU 6 7.426 3.257 -8.172 57 3HD2 LEU 6 3HD2 LEU 6 6.288 2.281 -7.242 58 H THR 7 H THR 7 11.549 0.325 -5.144 59 HA THR 7 HA THR 7 12.820 1.529 -7.469 60 HB THR 7 HB THR 7 14.208 2.344 -5.707 61 HG1 THR 7 HG1 THR 7 16.196 1.038 -6.175 62 1HG2 THR 7 1HG2 THR 7 13.572 0.843 -3.906 63 2HG2 THR 7 2HG2 THR 7 15.328 0.864 -4.085 64 3HG2 THR 7 3HG2 THR 7 14.393 -0.499 -4.703 65 H THR 8 H THR 8 11.688 -0.160 -8.570 66 HA THR 8 HA THR 8 13.309 -2.453 -8.953 67 HB THR 8 HB THR 8 12.397 -3.466 -7.065 68 HG1 THR 8 HG1 THR 8 12.178 -4.762 -8.991 69 1HG2 THR 8 1HG2 THR 8 9.607 -2.648 -7.872 70 2HG2 THR 8 2HG2 THR 8 10.590 -1.781 -6.693 71 3HG2 THR 8 3HG2 THR 8 10.099 -3.447 -6.381 72 H LEU 9 H LEU 9 9.844 -1.687 -9.312 73 HA LEU 9 HA LEU 9 8.420 -1.699 -11.041 74 1HB LEU 9 1HB LEU 9 10.953 -1.499 -12.658 75 2HB LEU 9 2HB LEU 9 9.352 -1.480 -13.374 76 HG LEU 9 HG LEU 9 10.459 0.553 -11.431 77 1HD1 LEU 9 1HD1 LEU 9 9.794 0.740 -14.365 78 2HD1 LEU 9 2HD1 LEU 9 11.408 0.759 -13.655 79 3HD1 LEU 9 3HD1 LEU 9 10.289 2.085 -13.336 80 1HD2 LEU 9 1HD2 LEU 9 8.373 1.773 -11.836 81 2HD2 LEU 9 2HD2 LEU 9 8.073 0.212 -11.072 82 3HD2 LEU 9 3HD2 LEU 9 7.770 0.423 -12.797 83 H GLN 10 H GLN 10 10.264 -4.186 -10.177 84 HA GLN 10 HA GLN 10 10.055 -6.075 -12.209 85 1HB GLN 10 1HB GLN 10 11.391 -6.471 -10.220 86 2HB GLN 10 2HB GLN 10 9.946 -6.501 -9.222 87 1HG GLN 10 1HG GLN 10 10.776 -8.741 -9.627 88 2HG GLN 10 2HG GLN 10 9.185 -8.516 -10.351 89 1HE2 GLN 10 2HE2 GLN 10 8.976 -8.531 -12.574 90 2HE2 GLN 10 1HE2 GLN 10 10.238 -9.080 -13.628 91 HA PRO 11 HA PRO 11 5.634 -7.275 -10.300 92 1HB PRO 11 1HB PRO 11 4.921 -4.473 -9.557 93 2HB PRO 11 2HB PRO 11 4.416 -5.998 -8.815 94 1HG PRO 11 1HG PRO 11 6.250 -4.490 -7.637 95 2HG PRO 11 2HG PRO 11 6.425 -6.255 -7.668 96 1HD PRO 11 1HD PRO 11 7.829 -4.175 -9.293 97 2HD PRO 11 2HD PRO 11 8.455 -5.693 -8.615 98 H VAL 12 H VAL 12 6.538 -4.282 -11.916 99 HA VAL 12 HA VAL 12 4.193 -4.174 -13.574 100 HB VAL 12 HB VAL 12 6.865 -2.782 -13.875 101 1HG1 VAL 12 1HG1 VAL 12 5.684 -2.921 -16.006 102 2HG1 VAL 12 2HG1 VAL 12 5.710 -1.264 -15.401 103 3HG1 VAL 12 3HG1 VAL 12 4.243 -2.232 -15.259 104 1HG2 VAL 12 1HG2 VAL 12 5.720 -0.826 -12.966 105 2HG2 VAL 12 2HG2 VAL 12 5.694 -2.168 -11.820 106 3HG2 VAL 12 3HG2 VAL 12 4.249 -1.776 -12.756 107 H TRP 13 H TRP 13 7.592 -5.055 -14.068 108 HA TRP 13 HA TRP 13 7.312 -5.938 -16.731 109 1HB TRP 13 1HB TRP 13 9.347 -6.687 -14.622 110 2HB TRP 13 2HB TRP 13 9.497 -7.063 -16.335 111 HD1 TRP 13 HD1 TRP 13 10.735 -4.649 -13.963 112 HE1 TRP 13 HE1 TRP 13 11.479 -2.474 -15.114 113 HE3 TRP 13 HE3 TRP 13 8.444 -5.320 -18.482 114 HZ2 TRP 13 HZ2 TRP 13 11.139 -1.217 -17.640 115 HZ3 TRP 13 HZ3 TRP 13 8.688 -3.578 -20.204 116 HH2 TRP 13 HH2 TRP 13 10.004 -1.567 -19.783 117 H ASP 14 H ASP 14 6.784 -7.449 -13.655 118 HA ASP 14 HA ASP 14 6.741 -10.146 -14.414 119 1HB ASP 14 1HB ASP 14 6.730 -9.341 -12.069 120 2HB ASP 14 2HB ASP 14 5.077 -8.775 -12.287 121 H ARG 15 H ARG 15 4.150 -7.726 -14.292 122 HA ARG 15 HA ARG 15 2.122 -9.462 -15.246 123 1HB ARG 15 1HB ARG 15 2.284 -6.447 -15.242 124 2HB ARG 15 2HB ARG 15 0.844 -7.363 -15.663 125 1HG ARG 15 1HG ARG 15 0.855 -8.363 -13.415 126 2HG ARG 15 2HG ARG 15 2.245 -7.364 -13.000 127 1HD ARG 15 1HD ARG 15 0.916 -5.352 -13.400 128 2HD ARG 15 2HD ARG 15 -0.471 -6.350 -13.834 129 HE ARG 15 HE ARG 15 0.663 -6.801 -11.199 130 1HH1 ARG 15 1HH1 ARG 15 -1.820 -5.210 -13.097 131 2HH1 ARG 15 2HH1 ARG 15 -2.862 -4.957 -11.736 132 1HH2 ARG 15 1HH2 ARG 15 -0.697 -6.480 -9.424 133 2HH2 ARG 15 2HH2 ARG 15 -2.230 -5.669 -9.634 134 H TYR 16 H TYR 16 4.358 -7.252 -16.812 135 HA TYR 16 HA TYR 16 3.339 -7.404 -19.433 136 1HB TYR 16 1HB TYR 16 4.930 -5.702 -18.895 137 2HB TYR 16 2HB TYR 16 6.105 -6.883 -18.334 138 HD1 TYR 16 HD1 TYR 16 7.772 -7.632 -19.768 139 HD2 TYR 16 HD2 TYR 16 4.319 -5.764 -21.411 140 HE1 TYR 16 HE1 TYR 16 8.825 -7.657 -21.988 141 HE2 TYR 16 HE2 TYR 16 5.362 -5.787 -23.639 142 HH TYR 16 HH TYR 16 8.212 -7.591 -24.308 143 H ASP 17 H ASP 17 5.771 -9.353 -17.764 144 HA ASP 17 HA ASP 17 6.376 -11.024 -19.954 145 1HB ASP 17 1HB ASP 17 7.741 -10.741 -17.847 146 2HB ASP 17 2HB ASP 17 6.563 -11.762 -17.032 147 H THR 18 H THR 18 4.058 -11.280 -17.309 148 HA THR 18 HA THR 18 3.067 -13.847 -17.995 149 HB THR 18 HB THR 18 1.886 -11.598 -16.365 150 HG1 THR 18 HG1 THR 18 3.128 -14.074 -15.660 151 1HG2 THR 18 1HG2 THR 18 0.289 -13.236 -15.489 152 2HG2 THR 18 2HG2 THR 18 0.892 -14.432 -16.638 153 3HG2 THR 18 3HG2 THR 18 0.071 -12.985 -17.223 154 H GLN 19 H GLN 19 2.003 -10.556 -18.833 155 HA GLN 19 HA GLN 19 -0.353 -11.211 -20.194 156 1HB GLN 19 1HB GLN 19 0.959 -8.941 -19.550 157 2HB GLN 19 2HB GLN 19 1.344 -9.051 -21.260 158 1HG GLN 19 1HG GLN 19 -1.372 -8.853 -19.991 159 2HG GLN 19 2HG GLN 19 -0.563 -7.674 -21.012 160 1HE2 GLN 19 2HE2 GLN 19 -0.314 -8.145 -23.257 161 2HE2 GLN 19 1HE2 GLN 19 -1.400 -9.255 -24.039 162 H ILE 20 H ILE 20 2.998 -11.039 -21.240 163 HA ILE 20 HA ILE 20 2.789 -11.339 -23.957 164 HB ILE 20 HB ILE 20 4.804 -11.632 -21.933 165 1HG1 ILE 20 1HG1 ILE 20 4.732 -9.877 -23.621 166 2HG1 ILE 20 2HG1 ILE 20 6.246 -10.766 -23.712 167 1HG2 ILE 20 1HG2 ILE 20 4.903 -13.985 -22.512 168 2HG2 ILE 20 2HG2 ILE 20 6.347 -13.153 -23.090 169 3HG2 ILE 20 3HG2 ILE 20 5.064 -13.581 -24.222 170 1HD1 ILE 20 1HD1 ILE 20 5.408 -12.007 -25.635 171 2HD1 ILE 20 2HD1 ILE 20 5.371 -10.266 -25.923 172 3HD1 ILE 20 3HD1 ILE 20 3.882 -11.127 -25.537 173 H HIS 21 H HIS 21 2.022 -13.662 -21.532 174 HA HIS 21 HA HIS 21 2.300 -16.050 -23.031 175 1HB HIS 21 1HB HIS 21 0.516 -15.358 -20.690 176 2HB HIS 21 2HB HIS 21 0.641 -16.972 -21.368 177 HD1 HIS 21 HD1 HIS 21 1.902 -18.302 -19.722 178 HD2 HIS 21 HD2 HIS 21 3.548 -14.515 -20.254 179 HE1 HIS 21 HE1 HIS 21 3.997 -18.276 -18.328 180 H ASN 22 H ASN 22 -0.043 -13.517 -23.034 181 HA ASN 22 HA ASN 22 -1.634 -14.949 -25.019 182 1HB ASN 22 1HB ASN 22 -2.656 -15.379 -22.770 183 2HB ASN 22 2HB ASN 22 -2.875 -13.645 -22.589 184 1HD2 ASN 22 2HD2 ASN 22 -3.957 -16.509 -24.215 185 2HD2 ASN 22 1HD2 ASN 22 -5.390 -15.824 -24.899 186 H GLN 23 H GLN 23 -0.684 -13.387 -26.451 187 HA GLN 23 HA GLN 23 -1.527 -10.619 -26.007 188 1HB GLN 23 1HB GLN 23 -0.041 -10.051 -27.904 189 2HB GLN 23 2HB GLN 23 0.805 -10.831 -26.577 190 1HG GLN 23 1HG GLN 23 0.869 -12.912 -27.790 191 2HG GLN 23 2HG GLN 23 -0.092 -12.215 -29.094 192 1HE2 GLN 23 2HE2 GLN 23 0.860 -10.734 -30.501 193 2HE2 GLN 23 1HE2 GLN 23 2.582 -10.554 -30.615 194 H LYS 24 H LYS 24 -3.490 -10.183 -26.691 195 HA LYS 24 HA LYS 24 -4.523 -11.511 -29.079 196 1HB LYS 24 1HB LYS 24 -5.892 -11.389 -26.972 197 2HB LYS 24 2HB LYS 24 -5.954 -9.645 -27.175 198 1HG LYS 24 1HG LYS 24 -7.155 -9.895 -29.258 199 2HG LYS 24 2HG LYS 24 -7.022 -11.652 -29.148 200 1HD LYS 24 1HD LYS 24 -8.327 -11.584 -27.051 201 2HD LYS 24 2HD LYS 24 -8.506 -9.838 -27.243 202 1HE LYS 24 1HE LYS 24 -9.692 -10.163 -29.331 203 2HE LYS 24 2HE LYS 24 -9.458 -11.907 -29.219 204 1HZ LYS 24 1HZ LYS 24 -10.797 -11.929 -27.211 205 2HZ LYS 24 2HZ LYS 24 -11.667 -11.252 -28.498 206 3HZ LYS 24 3HZ LYS 24 -11.013 -10.250 -27.302 207 H ASP 25 H ASP 25 -5.467 -10.276 -30.807 208 HA ASP 25 HA ASP 25 -3.899 -7.917 -31.411 209 1HB ASP 25 1HB ASP 25 -6.023 -9.368 -33.008 210 2HB ASP 25 2HB ASP 25 -5.062 -8.024 -33.614 211 H ASN 26 H ASN 26 -6.277 -8.182 -29.446 212 HA ASN 26 HA ASN 26 -7.263 -5.504 -29.851 213 1HB ASN 26 1HB ASN 26 -8.856 -6.926 -31.168 214 2HB ASN 26 2HB ASN 26 -9.212 -7.831 -29.702 215 1HD2 ASN 26 2HD2 ASN 26 -11.369 -7.290 -29.716 216 2HD2 ASN 26 1HD2 ASN 26 -11.934 -5.702 -29.331 217 H ASP 27 H ASP 27 -8.702 -4.957 -27.850 218 HA ASP 27 HA ASP 27 -7.248 -5.782 -25.530 219 1HB ASP 27 1HB ASP 27 -8.445 -4.181 -24.349 220 2HB ASP 27 2HB ASP 27 -8.504 -3.527 -25.981 221 H ASN 28 H ASN 28 -8.466 -6.570 -23.544 222 HA ASN 28 HA ASN 28 -10.095 -8.852 -24.391 223 1HB ASN 28 1HB ASN 28 -8.446 -8.381 -21.906 224 2HB ASN 28 2HB ASN 28 -9.546 -9.746 -22.083 225 1HD2 ASN 28 2HD2 ASN 28 -6.543 -8.330 -23.118 226 2HD2 ASN 28 1HD2 ASN 28 -5.941 -9.718 -23.957 227 H GLU 29 H GLU 29 -9.988 -6.294 -21.945 228 HA GLU 29 HA GLU 29 -12.843 -6.147 -21.812 229 1HB GLU 29 1HB GLU 29 -12.953 -6.733 -19.376 230 2HB GLU 29 2HB GLU 29 -12.607 -8.097 -20.430 231 1HG GLU 29 1HG GLU 29 -10.186 -7.789 -19.897 232 2HG GLU 29 2HG GLU 29 -10.666 -6.585 -18.705 233 H VAL 30 H VAL 30 -10.467 -4.421 -22.239 234 HA VAL 30 HA VAL 30 -10.726 -2.620 -19.933 235 HB VAL 30 HB VAL 30 -8.430 -1.803 -20.635 236 1HG1 VAL 30 1HG1 VAL 30 -7.280 -3.568 -19.391 237 2HG1 VAL 30 2HG1 VAL 30 -8.689 -4.610 -19.582 238 3HG1 VAL 30 3HG1 VAL 30 -8.809 -3.130 -18.629 239 1HG2 VAL 30 1HG2 VAL 30 -8.316 -2.807 -22.835 240 2HG2 VAL 30 2HG2 VAL 30 -8.427 -4.417 -22.123 241 3HG2 VAL 30 3HG2 VAL 30 -7.005 -3.415 -21.824 242 HA PRO 31 HA PRO 31 -12.169 0.341 -22.876 243 1HB PRO 31 1HB PRO 31 -12.150 2.531 -21.344 244 2HB PRO 31 2HB PRO 31 -13.252 1.188 -21.030 245 1HG PRO 31 1HG PRO 31 -10.681 1.877 -19.675 246 2HG PRO 31 2HG PRO 31 -12.210 1.335 -18.959 247 1HD PRO 31 1HD PRO 31 -10.055 -0.307 -19.447 248 2HD PRO 31 2HD PRO 31 -11.735 -0.870 -19.331 249 H VAL 32 H VAL 32 -9.430 -0.318 -23.073 250 HA VAL 32 HA VAL 32 -8.465 1.969 -24.460 251 HB VAL 32 HB VAL 32 -7.831 2.653 -22.215 252 1HG1 VAL 32 1HG1 VAL 32 -7.676 0.495 -21.129 253 2HG1 VAL 32 2HG1 VAL 32 -6.180 1.403 -20.906 254 3HG1 VAL 32 3HG1 VAL 32 -6.249 0.093 -22.084 255 1HG2 VAL 32 1HG2 VAL 32 -5.412 2.986 -22.587 256 2HG2 VAL 32 2HG2 VAL 32 -6.380 3.331 -24.019 257 3HG2 VAL 32 3HG2 VAL 32 -5.478 1.818 -23.908 258 H HIS 33 H HIS 33 -7.442 1.275 -26.164 259 HA HIS 33 HA HIS 33 -5.652 -0.934 -26.170 260 1HB HIS 33 1HB HIS 33 -6.983 -2.404 -27.650 261 2HB HIS 33 2HB HIS 33 -7.682 -2.246 -26.049 262 HD1 HIS 33 HD1 HIS 33 -8.456 -1.896 -29.597 263 HD2 HIS 33 HD2 HIS 33 -10.043 -0.543 -26.004 264 HE1 HIS 33 HE1 HIS 33 -10.784 -1.126 -30.139 265 H GLN 34 H GLN 34 -5.540 1.741 -26.954 266 HA GLN 34 HA GLN 34 -4.932 1.402 -29.788 267 1HB GLN 34 1HB GLN 34 -7.143 2.533 -29.627 268 2HB GLN 34 2HB GLN 34 -6.389 3.815 -28.692 269 1HG GLN 34 1HG GLN 34 -6.686 4.475 -31.006 270 2HG GLN 34 2HG GLN 34 -4.975 4.389 -30.593 271 1HE2 GLN 34 2HE2 GLN 34 -4.373 4.161 -32.742 272 2HE2 GLN 34 1HE2 GLN 34 -4.628 2.693 -33.620 273 H VAL 35 H VAL 35 -3.068 2.387 -30.405 274 HA VAL 35 HA VAL 35 -1.753 4.248 -28.590 275 HB VAL 35 HB VAL 35 -0.301 1.828 -29.684 276 1HG1 VAL 35 1HG1 VAL 35 1.523 2.514 -28.229 277 2HG1 VAL 35 2HG1 VAL 35 0.575 3.890 -27.669 278 3HG1 VAL 35 3HG1 VAL 35 1.097 3.806 -29.351 279 1HG2 VAL 35 1HG2 VAL 35 -1.859 1.071 -27.982 280 2HG2 VAL 35 2HG2 VAL 35 -1.253 2.291 -26.863 281 3HG2 VAL 35 3HG2 VAL 35 -0.200 0.976 -27.386 282 H SER 36 H SER 36 -0.008 5.395 -29.732 283 HA SER 36 HA SER 36 0.257 5.184 -32.538 284 1HB SER 36 1HB SER 36 -1.115 6.971 -33.271 285 2HB SER 36 2HB SER 36 -2.139 6.053 -32.180 286 HG SER 36 HG SER 36 -2.361 7.806 -31.078 287 H TYR 37 H TYR 37 1.195 7.450 -33.347 288 HA TYR 37 HA TYR 37 3.515 7.976 -31.857 289 1HB TYR 37 1HB TYR 37 2.812 8.484 -34.374 290 2HB TYR 37 2HB TYR 37 2.418 10.058 -33.696 291 HD1 TYR 37 HD1 TYR 37 4.130 11.627 -33.193 292 HD2 TYR 37 HD2 TYR 37 5.148 7.624 -34.202 293 HE1 TYR 37 HE1 TYR 37 6.491 12.288 -33.405 294 HE2 TYR 37 HE2 TYR 37 7.510 8.268 -34.413 295 HH TYR 37 HH TYR 37 8.715 11.262 -33.313 296 H THR 38 H THR 38 0.339 9.452 -31.887 297 HA THR 38 HA THR 38 1.016 11.664 -30.203 298 HB THR 38 HB THR 38 -1.710 10.447 -30.698 299 HG1 THR 38 HG1 THR 38 -0.045 11.772 -32.372 300 1HG2 THR 38 1HG2 THR 38 -0.894 13.212 -29.778 301 2HG2 THR 38 2HG2 THR 38 -1.642 11.967 -28.779 302 3HG2 THR 38 3HG2 THR 38 -2.543 12.686 -30.115 303 H ASN 39 H ASN 39 -0.601 8.528 -29.674 304 HA ASN 39 HA ASN 39 -1.186 8.902 -26.956 305 1HB ASN 39 1HB ASN 39 -0.745 6.370 -28.531 306 2HB ASN 39 2HB ASN 39 -1.265 6.365 -26.858 307 1HD2 ASN 39 2HD2 ASN 39 -3.298 7.370 -26.358 308 2HD2 ASN 39 1HD2 ASN 39 -4.549 7.417 -27.554 309 H LEU 40 H LEU 40 1.707 7.649 -28.535 310 HA LEU 40 HA LEU 40 3.060 6.720 -26.278 311 1HB LEU 40 1HB LEU 40 4.110 7.991 -28.801 312 2HB LEU 40 2HB LEU 40 5.137 7.243 -27.594 313 HG LEU 40 HG LEU 40 2.941 5.746 -29.019 314 1HD1 LEU 40 1HD1 LEU 40 4.674 4.827 -30.455 315 2HD1 LEU 40 2HD1 LEU 40 5.871 5.878 -29.698 316 3HD1 LEU 40 3HD1 LEU 40 4.561 6.578 -30.650 317 1HD2 LEU 40 1HD2 LEU 40 3.664 4.750 -26.923 318 2HD2 LEU 40 2HD2 LEU 40 5.347 4.857 -27.436 319 3HD2 LEU 40 3HD2 LEU 40 4.236 3.788 -28.288 320 H ALA 41 H ALA 41 3.265 9.942 -27.805 321 HA ALA 41 HA ALA 41 4.995 11.089 -25.927 322 1HB ALA 41 1HB ALA 41 4.303 13.233 -26.818 323 2HB ALA 41 2HB ALA 41 2.883 12.495 -27.560 324 3HB ALA 41 3HB ALA 41 4.499 12.072 -28.131 325 H GLU 42 H GLU 42 1.477 10.909 -26.022 326 HA GLU 42 HA GLU 42 0.861 12.512 -23.816 327 1HB GLU 42 1HB GLU 42 -0.465 10.554 -25.495 328 2HB GLU 42 2HB GLU 42 -0.998 10.421 -23.826 329 1HG GLU 42 1HG GLU 42 -0.938 13.057 -25.246 330 2HG GLU 42 2HG GLU 42 -2.300 11.948 -25.392 331 H MET 43 H MET 43 1.415 9.005 -23.984 332 HA MET 43 HA MET 43 0.971 8.646 -21.186 333 1HB MET 43 1HB MET 43 2.166 6.743 -23.206 334 2HB MET 43 2HB MET 43 1.626 6.313 -21.588 335 1HG MET 43 1HG MET 43 -0.659 6.929 -22.174 336 2HG MET 43 2HG MET 43 -0.126 7.381 -23.793 337 1HE MET 43 1HE MET 43 -2.515 5.467 -23.603 338 2HE MET 43 2HE MET 43 -2.048 4.173 -24.707 339 3HE MET 43 3HE MET 43 -1.713 5.855 -25.124 340 H VAL 44 H VAL 44 3.895 8.751 -23.227 341 HA VAL 44 HA VAL 44 5.747 7.923 -21.313 342 HB VAL 44 HB VAL 44 6.099 9.865 -23.604 343 1HG1 VAL 44 1HG1 VAL 44 8.231 8.582 -21.896 344 2HG1 VAL 44 2HG1 VAL 44 7.839 10.301 -21.959 345 3HG1 VAL 44 3HG1 VAL 44 8.515 9.500 -23.375 346 1HG2 VAL 44 1HG2 VAL 44 7.169 7.950 -24.701 347 2HG2 VAL 44 2HG2 VAL 44 5.500 7.597 -24.255 348 3HG2 VAL 44 3HG2 VAL 44 6.824 6.952 -23.287 349 H GLY 45 H GLY 45 4.320 11.104 -21.823 350 1HA GLY 45 1HA GLY 45 5.996 12.578 -20.105 351 2HA GLY 45 2HA GLY 45 4.351 13.015 -20.548 352 H GLU 46 H GLU 46 2.861 10.997 -19.451 353 HA GLU 46 HA GLU 46 2.919 11.779 -16.702 354 1HB GLU 46 1HB GLU 46 0.948 10.224 -16.502 355 2HB GLU 46 2HB GLU 46 0.773 11.534 -17.662 356 1HG GLU 46 1HG GLU 46 1.345 9.941 -19.472 357 2HG GLU 46 2HG GLU 46 1.368 8.648 -18.271 358 H MET 47 H MET 47 3.936 8.938 -18.485 359 HA MET 47 HA MET 47 4.287 7.140 -16.375 360 1HB MET 47 1HB MET 47 5.972 7.515 -18.857 361 2HB MET 47 2HB MET 47 6.145 6.165 -17.750 362 1HG MET 47 1HG MET 47 3.627 6.796 -19.269 363 2HG MET 47 2HG MET 47 4.859 5.666 -19.814 364 1HE MET 47 1HE MET 47 1.688 6.206 -17.871 365 2HE MET 47 2HE MET 47 2.724 6.386 -16.457 366 3HE MET 47 3HE MET 47 1.675 4.981 -16.606 367 H ASN 48 H ASN 48 6.486 9.623 -17.621 368 HA ASN 48 HA ASN 48 8.623 9.198 -15.881 369 1HB ASN 48 1HB ASN 48 7.638 11.545 -17.432 370 2HB ASN 48 2HB ASN 48 8.850 11.831 -16.188 371 1HD2 ASN 48 2HD2 ASN 48 8.181 10.375 -19.262 372 2HD2 ASN 48 1HD2 ASN 48 9.831 10.042 -19.680 373 H LYS 49 H LYS 49 5.756 11.241 -15.483 374 HA LYS 49 HA LYS 49 6.687 12.125 -12.892 375 1HB LYS 49 1HB LYS 49 4.144 12.767 -14.388 376 2HB LYS 49 2HB LYS 49 4.646 13.513 -12.872 377 1HG LYS 49 1HG LYS 49 6.814 14.089 -14.162 378 2HG LYS 49 2HG LYS 49 5.830 13.794 -15.598 379 1HD LYS 49 1HD LYS 49 4.296 15.520 -14.977 380 2HD LYS 49 2HD LYS 49 5.065 15.707 -13.397 381 1HE LYS 49 1HE LYS 49 6.280 16.324 -16.085 382 2HE LYS 49 2HE LYS 49 5.780 17.490 -14.859 383 1HZ LYS 49 1HZ LYS 49 7.478 16.639 -13.381 384 2HZ LYS 49 2HZ LYS 49 8.184 17.099 -14.852 385 3HZ LYS 49 3HZ LYS 49 7.928 15.456 -14.513 386 H LEU 50 H LEU 50 5.659 9.293 -13.613 387 HA LEU 50 HA LEU 50 4.129 9.015 -11.116 388 1HB LEU 50 1HB LEU 50 4.525 7.100 -13.413 389 2HB LEU 50 2HB LEU 50 3.773 6.650 -11.895 390 HG LEU 50 HG LEU 50 2.738 8.679 -13.872 391 1HD1 LEU 50 1HD1 LEU 50 2.425 6.381 -14.583 392 2HD1 LEU 50 2HD1 LEU 50 0.884 7.102 -14.116 393 3HD1 LEU 50 3HD1 LEU 50 1.703 5.981 -13.026 394 1HD2 LEU 50 1HD2 LEU 50 2.257 9.398 -11.595 395 2HD2 LEU 50 2HD2 LEU 50 1.586 7.811 -11.222 396 3HD2 LEU 50 3HD2 LEU 50 0.788 8.850 -12.403 397 H LEU 51 H LEU 51 7.136 8.505 -12.664 398 HA LEU 51 HA LEU 51 8.063 6.729 -10.522 399 1HB LEU 51 1HB LEU 51 9.141 7.353 -13.262 400 2HB LEU 51 2HB LEU 51 10.063 6.456 -12.067 401 HG LEU 51 HG LEU 51 7.345 5.581 -13.069 402 1HD1 LEU 51 1HD1 LEU 51 8.974 5.612 -14.909 403 2HD1 LEU 51 2HD1 LEU 51 8.544 3.966 -14.444 404 3HD1 LEU 51 3HD1 LEU 51 10.088 4.651 -13.935 405 1HD2 LEU 51 1HD2 LEU 51 7.945 4.709 -10.887 406 2HD2 LEU 51 2HD2 LEU 51 9.510 4.181 -11.502 407 3HD2 LEU 51 3HD2 LEU 51 8.033 3.431 -12.100 408 H GLU 52 H GLU 52 8.205 9.960 -11.558 409 HA GLU 52 HA GLU 52 10.692 10.748 -10.565 410 1HB GLU 52 1HB GLU 52 8.093 12.217 -10.876 411 2HB GLU 52 2HB GLU 52 9.502 12.995 -10.170 412 1HG GLU 52 1HG GLU 52 10.762 12.358 -12.252 413 2HG GLU 52 2HG GLU 52 9.208 11.882 -12.941 414 HA PRO 53 HA PRO 53 8.593 11.354 -6.225 415 1HB PRO 53 1HB PRO 53 6.423 9.773 -5.742 416 2HB PRO 53 2HB PRO 53 6.308 11.448 -6.290 417 1HG PRO 53 1HG PRO 53 6.143 8.917 -7.885 418 2HG PRO 53 2HG PRO 53 5.116 10.363 -7.976 419 1HD PRO 53 1HD PRO 53 7.079 9.928 -9.749 420 2HD PRO 53 2HD PRO 53 6.700 11.564 -9.169 421 H SER 54 H SER 54 9.072 8.463 -8.021 422 HA SER 54 HA SER 54 9.606 6.930 -5.585 423 1HB SER 54 1HB SER 54 9.710 4.956 -6.993 424 2HB SER 54 2HB SER 54 8.238 5.850 -7.361 425 HG SER 54 HG SER 54 10.014 6.809 -8.999 426 H GLN 55 H GLN 55 11.585 5.265 -6.238 427 HA GLN 55 HA GLN 55 13.879 7.023 -6.187 428 1HB GLN 55 1HB GLN 55 13.761 4.008 -6.071 429 2HB GLN 55 2HB GLN 55 15.150 5.004 -5.678 430 1HG GLN 55 1HG GLN 55 12.537 5.066 -4.193 431 2HG GLN 55 2HG GLN 55 13.936 4.110 -3.716 432 1HE2 GLN 55 2HE2 GLN 55 14.184 5.130 -1.781 433 2HE2 GLN 55 1HE2 GLN 55 14.749 6.757 -1.628 434 H VAL 56 H VAL 56 12.425 4.686 -8.345 435 HA VAL 56 HA VAL 56 14.765 4.540 -10.021 436 HB VAL 56 HB VAL 56 13.194 3.111 -11.482 437 1HG1 VAL 56 1HG1 VAL 56 13.921 2.259 -8.686 438 2HG1 VAL 56 2HG1 VAL 56 14.961 2.180 -10.106 439 3HG1 VAL 56 3HG1 VAL 56 13.518 1.168 -10.011 440 1HG2 VAL 56 1HG2 VAL 56 11.286 2.126 -10.300 441 2HG2 VAL 56 2HG2 VAL 56 11.076 3.864 -10.512 442 3HG2 VAL 56 3HG2 VAL 56 11.562 3.219 -8.945 443 H HIS 57 H HIS 57 15.083 6.525 -10.912 444 HA HIS 57 HA HIS 57 12.990 7.666 -12.580 445 1HB HIS 57 1HB HIS 57 15.772 8.560 -11.856 446 2HB HIS 57 2HB HIS 57 14.880 9.324 -13.164 447 HD1 HIS 57 HD1 HIS 57 13.363 11.186 -12.532 448 HD2 HIS 57 HD2 HIS 57 14.394 8.818 -9.262 449 HE1 HIS 57 HE1 HIS 57 12.443 12.370 -10.513 450 H LEU 58 H LEU 58 12.865 5.780 -13.949 451 HA LEU 58 HA LEU 58 15.098 5.322 -15.746 452 1HB LEU 58 1HB LEU 58 12.399 4.082 -15.379 453 2HB LEU 58 2HB LEU 58 13.254 3.850 -16.891 454 HG LEU 58 HG LEU 58 15.138 2.824 -15.668 455 1HD1 LEU 58 1HD1 LEU 58 14.898 3.979 -13.540 456 2HD1 LEU 58 2HD1 LEU 58 14.882 2.231 -13.311 457 3HD1 LEU 58 3HD1 LEU 58 13.375 3.141 -13.248 458 1HD2 LEU 58 1HD2 LEU 58 14.046 0.741 -15.095 459 2HD2 LEU 58 2HD2 LEU 58 13.310 1.425 -16.545 460 3HD2 LEU 58 3HD2 LEU 58 12.487 1.556 -14.990 461 H LYS 59 H LYS 59 15.318 6.179 -17.708 462 HA LYS 59 HA LYS 59 13.418 8.276 -18.412 463 1HB LYS 59 1HB LYS 59 16.210 7.677 -19.402 464 2HB LYS 59 2HB LYS 59 15.217 9.003 -19.991 465 1HG LYS 59 1HG LYS 59 15.161 9.970 -17.752 466 2HG LYS 59 2HG LYS 59 16.154 8.642 -17.149 467 1HD LYS 59 1HD LYS 59 17.015 10.506 -19.355 468 2HD LYS 59 2HD LYS 59 17.390 10.771 -17.652 469 1HE LYS 59 1HE LYS 59 18.569 8.629 -17.579 470 2HE LYS 59 2HE LYS 59 18.190 8.358 -19.280 471 1HZ LYS 59 1HZ LYS 59 20.463 9.277 -18.786 472 2HZ LYS 59 2HZ LYS 59 19.706 10.722 -18.335 473 3HZ LYS 59 3HZ LYS 59 19.556 10.146 -19.925 474 H PHE 60 H PHE 60 12.019 8.078 -20.002 475 HA PHE 60 HA PHE 60 12.202 5.736 -21.752 476 1HB PHE 60 1HB PHE 60 9.892 7.652 -21.339 477 2HB PHE 60 2HB PHE 60 9.840 6.134 -22.227 478 HD1 PHE 60 HD1 PHE 60 9.426 7.720 -19.066 479 HD2 PHE 60 HD2 PHE 60 10.283 3.992 -20.924 480 HE1 PHE 60 HE1 PHE 60 8.776 6.551 -17.001 481 HE2 PHE 60 HE2 PHE 60 9.642 2.814 -18.860 482 HZ PHE 60 HZ PHE 60 8.886 4.090 -16.898 483 H GLU 61 H GLU 61 12.954 6.011 -23.782 484 HA GLU 61 HA GLU 61 12.804 8.737 -24.884 485 1HB GLU 61 1HB GLU 61 15.060 7.041 -24.424 486 2HB GLU 61 2HB GLU 61 14.877 7.277 -26.157 487 1HG GLU 61 1HG GLU 61 14.904 9.543 -24.185 488 2HG GLU 61 2HG GLU 61 16.354 8.925 -24.979 489 H LEU 62 H LEU 62 12.005 8.995 -26.874 490 HA LEU 62 HA LEU 62 10.825 6.625 -28.109 491 1HB LEU 62 1HB LEU 62 9.389 8.590 -27.646 492 2HB LEU 62 2HB LEU 62 10.391 9.553 -28.715 493 HG LEU 62 HG LEU 62 9.741 8.043 -30.599 494 1HD1 LEU 62 1HD1 LEU 62 7.813 6.938 -28.562 495 2HD1 LEU 62 2HD1 LEU 62 9.163 6.071 -29.298 496 3HD1 LEU 62 3HD1 LEU 62 7.799 6.587 -30.290 497 1HD2 LEU 62 1HD2 LEU 62 7.448 9.374 -29.157 498 2HD2 LEU 62 2HD2 LEU 62 7.514 8.979 -30.875 499 3HD2 LEU 62 3HD2 LEU 62 8.610 10.188 -30.205 500 H HIS 63 H HIS 63 12.100 5.640 -29.527 501 HA HIS 63 HA HIS 63 13.515 7.335 -31.464 502 1HB HIS 63 1HB HIS 63 14.578 4.950 -29.982 503 2HB HIS 63 2HB HIS 63 15.253 5.438 -31.534 504 HD1 HIS 63 HD1 HIS 63 16.223 7.963 -31.599 505 HD2 HIS 63 HD2 HIS 63 15.544 6.334 -27.833 506 HE1 HIS 63 HE1 HIS 63 17.539 9.387 -29.997 507 H ASP 64 H ASP 64 13.448 6.740 -33.520 508 HA ASP 64 HA ASP 64 11.729 4.445 -34.162 509 1HB ASP 64 1HB ASP 64 10.800 5.713 -35.963 510 2HB ASP 64 2HB ASP 64 10.773 6.760 -34.551 511 H LYS 65 H LYS 65 12.112 3.474 -36.252 512 HA LYS 65 HA LYS 65 14.577 4.117 -37.624 513 1HB LYS 65 1HB LYS 65 15.501 1.874 -37.538 514 2HB LYS 65 2HB LYS 65 15.312 2.503 -35.913 515 1HG LYS 65 1HG LYS 65 13.410 1.129 -35.512 516 2HG LYS 65 2HG LYS 65 13.338 0.648 -37.204 517 1HD LYS 65 1HD LYS 65 14.319 -1.096 -35.746 518 2HD LYS 65 2HD LYS 65 15.417 -0.550 -37.012 519 1HE LYS 65 1HE LYS 65 16.599 0.849 -35.429 520 2HE LYS 65 2HE LYS 65 15.461 0.414 -34.153 521 1HZ LYS 65 1HZ LYS 65 17.451 -0.882 -33.916 522 2HZ LYS 65 2HZ LYS 65 17.371 -1.408 -35.527 523 3HZ LYS 65 3HZ LYS 65 16.198 -1.915 -34.411 524 H LEU 66 H LEU 66 14.004 4.233 -39.653 525 HA LEU 66 HA LEU 66 13.310 3.649 -41.713 526 1HB LEU 66 1HB LEU 66 14.103 1.345 -40.659 527 2HB LEU 66 2HB LEU 66 12.399 0.964 -40.803 528 HG LEU 66 HG LEU 66 12.633 1.674 -43.247 529 1HD1 LEU 66 1HD1 LEU 66 14.898 1.467 -44.162 530 2HD1 LEU 66 2HD1 LEU 66 15.533 1.338 -42.520 531 3HD1 LEU 66 3HD1 LEU 66 14.745 2.826 -43.048 532 1HD2 LEU 66 1HD2 LEU 66 13.513 -0.531 -43.898 533 2HD2 LEU 66 2HD2 LEU 66 12.355 -0.648 -42.572 534 3HD2 LEU 66 3HD2 LEU 66 14.082 -0.776 -42.245 535 H ASN 67 H ASN 67 11.033 1.624 -39.913 536 HA ASN 67 HA ASN 67 8.859 3.408 -40.762 537 1HB ASN 67 1HB ASN 67 9.167 0.476 -41.173 538 2HB ASN 67 2HB ASN 67 7.559 1.074 -40.779 539 1HD2 ASN 67 2HD2 ASN 67 6.421 2.198 -42.271 540 2HD2 ASN 67 1HD2 ASN 67 6.956 2.455 -43.899 541 H GLU 68 H GLU 68 10.380 1.691 -38.241 542 HA GLU 68 HA GLU 68 7.890 1.503 -36.686 543 1HB GLU 68 1HB GLU 68 10.563 0.143 -36.355 544 2HB GLU 68 2HB GLU 68 9.266 0.032 -35.172 545 1HG GLU 68 1HG GLU 68 9.020 -0.820 -38.046 546 2HG GLU 68 2HG GLU 68 9.412 -1.900 -36.709 547 H TYR 69 H TYR 69 7.819 2.204 -34.539 548 HA TYR 69 HA TYR 69 10.006 3.856 -33.547 549 1HB TYR 69 1HB TYR 69 8.282 5.614 -32.845 550 2HB TYR 69 2HB TYR 69 8.719 5.577 -34.544 551 HD1 TYR 69 HD1 TYR 69 7.112 4.766 -36.224 552 HD2 TYR 69 HD2 TYR 69 6.051 5.060 -32.118 553 HE1 TYR 69 HE1 TYR 69 4.737 4.585 -36.829 554 HE2 TYR 69 HE2 TYR 69 3.674 4.876 -32.714 555 HH TYR 69 HH TYR 69 2.616 3.888 -35.770 556 H TYR 70 H TYR 70 10.395 3.380 -31.484 557 HA TYR 70 HA TYR 70 8.215 2.310 -29.861 558 1HB TYR 70 1HB TYR 70 9.753 0.476 -29.070 559 2HB TYR 70 2HB TYR 70 9.179 0.317 -30.724 560 HD1 TYR 70 HD1 TYR 70 12.086 0.944 -28.595 561 HD2 TYR 70 HD2 TYR 70 10.710 0.547 -32.603 562 HE1 TYR 70 HE1 TYR 70 14.407 0.706 -29.365 563 HE2 TYR 70 HE2 TYR 70 13.031 0.316 -33.382 564 HH TYR 70 HH TYR 70 15.578 -0.364 -31.363 565 H VAL 71 H VAL 71 8.929 2.000 -27.547 566 HA VAL 71 HA VAL 71 10.381 4.439 -26.806 567 HB VAL 71 HB VAL 71 8.477 2.778 -25.145 568 1HG1 VAL 71 1HG1 VAL 71 10.102 3.919 -23.759 569 2HG1 VAL 71 2HG1 VAL 71 8.528 4.701 -23.602 570 3HG1 VAL 71 3HG1 VAL 71 9.786 5.438 -24.595 571 1HG2 VAL 71 1HG2 VAL 71 7.337 3.894 -26.988 572 2HG2 VAL 71 2HG2 VAL 71 8.067 5.431 -26.522 573 3HG2 VAL 71 3HG2 VAL 71 6.913 4.641 -25.447 574 H LYS 72 H LYS 72 12.286 4.316 -25.916 575 HA LYS 72 HA LYS 72 13.359 1.735 -25.055 576 1HB LYS 72 1HB LYS 72 14.780 4.375 -25.244 577 2HB LYS 72 2HB LYS 72 15.497 2.771 -25.157 578 1HG LYS 72 1HG LYS 72 14.550 2.250 -27.359 579 2HG LYS 72 2HG LYS 72 13.897 3.893 -27.446 580 1HD LYS 72 1HD LYS 72 15.918 3.978 -28.618 581 2HD LYS 72 2HD LYS 72 16.280 4.677 -27.046 582 1HE LYS 72 1HE LYS 72 18.044 3.249 -27.229 583 2HE LYS 72 2HE LYS 72 16.884 2.190 -26.451 584 1HZ LYS 72 1HZ LYS 72 16.426 1.090 -28.452 585 2HZ LYS 72 2HZ LYS 72 18.113 1.250 -28.424 586 3HZ LYS 72 3HZ LYS 72 17.186 2.279 -29.394 587 H VAL 73 H VAL 73 13.757 1.270 -22.945 588 HA VAL 73 HA VAL 73 13.257 3.403 -20.983 589 HB VAL 73 HB VAL 73 13.375 0.417 -20.541 590 1HG1 VAL 73 1HG1 VAL 73 13.968 1.627 -18.545 591 2HG1 VAL 73 2HG1 VAL 73 12.348 0.956 -18.359 592 3HG1 VAL 73 3HG1 VAL 73 12.556 2.670 -18.719 593 1HG2 VAL 73 1HG2 VAL 73 11.459 0.992 -21.912 594 2HG2 VAL 73 2HG2 VAL 73 10.991 2.250 -20.765 595 3HG2 VAL 73 3HG2 VAL 73 10.929 0.553 -20.288 596 H ILE 74 H ILE 74 15.014 4.370 -20.287 597 HA ILE 74 HA ILE 74 17.554 2.888 -20.262 598 HB ILE 74 HB ILE 74 17.104 5.878 -20.153 599 1HG1 ILE 74 1HG1 ILE 74 18.046 4.157 -22.460 600 2HG1 ILE 74 2HG1 ILE 74 16.435 4.854 -22.314 601 1HG2 ILE 74 1HG2 ILE 74 19.519 6.018 -20.599 602 2HG2 ILE 74 2HG2 ILE 74 19.630 4.261 -20.493 603 3HG2 ILE 74 3HG2 ILE 74 19.175 5.204 -19.073 604 1HD1 ILE 74 1HD1 ILE 74 17.403 7.094 -22.393 605 2HD1 ILE 74 2HD1 ILE 74 17.837 6.151 -23.818 606 3HD1 ILE 74 3HD1 ILE 74 19.015 6.393 -22.528 607 H GLU 75 H GLU 75 18.192 2.168 -18.365 608 HA GLU 75 HA GLU 75 17.118 3.205 -15.897 609 1HB GLU 75 1HB GLU 75 17.759 0.757 -16.484 610 2HB GLU 75 2HB GLU 75 19.405 1.263 -16.159 611 1HG GLU 75 1HG GLU 75 17.152 1.488 -14.182 612 2HG GLU 75 2HG GLU 75 18.272 0.130 -14.265 613 H ASP 76 H ASP 76 17.949 4.946 -14.917 614 HA ASP 76 HA ASP 76 20.064 6.332 -16.205 615 1HB ASP 76 1HB ASP 76 18.139 7.494 -15.229 616 2HB ASP 76 2HB ASP 76 18.647 6.992 -13.619 617 H SER 77 H SER 77 19.963 4.332 -13.329 618 HA SER 77 HA SER 77 22.392 5.367 -12.225 619 1HB SER 77 1HB SER 77 20.930 2.774 -11.681 620 2HB SER 77 2HB SER 77 22.266 3.404 -10.716 621 HG SER 77 HG SER 77 20.437 5.333 -11.005 622 H THR 78 H THR 78 21.607 2.736 -14.434 623 HA THR 78 HA THR 78 24.417 1.942 -14.541 624 HB THR 78 HB THR 78 23.446 0.256 -16.265 625 HG1 THR 78 HG1 THR 78 21.058 0.948 -14.850 626 1HG2 THR 78 1HG2 THR 78 24.238 -0.380 -14.044 627 2HG2 THR 78 2HG2 THR 78 22.768 -1.266 -14.454 628 3HG2 THR 78 3HG2 THR 78 22.693 0.104 -13.345 629 H ASN 79 H ASN 79 22.154 3.865 -16.240 630 HA ASN 79 HA ASN 79 22.317 5.238 -18.030 631 1HB ASN 79 1HB ASN 79 25.098 4.851 -17.238 632 2HB ASN 79 2HB ASN 79 24.927 5.184 -18.958 633 1HD2 ASN 79 2HD2 ASN 79 24.525 6.432 -15.744 634 2HD2 ASN 79 1HD2 ASN 79 24.200 8.073 -16.204 635 H GLU 80 H GLU 80 21.812 2.372 -18.328 636 HA GLU 80 HA GLU 80 22.460 2.191 -21.191 637 1HB GLU 80 1HB GLU 80 22.579 -0.291 -20.927 638 2HB GLU 80 2HB GLU 80 23.875 0.574 -20.114 639 1HG GLU 80 1HG GLU 80 22.722 0.326 -17.991 640 2HG GLU 80 2HG GLU 80 21.402 -0.518 -18.798 641 H VAL 81 H VAL 81 20.932 0.947 -22.433 642 HA VAL 81 HA VAL 81 18.220 1.452 -21.553 643 HB VAL 81 HB VAL 81 19.154 0.228 -24.157 644 1HG1 VAL 81 1HG1 VAL 81 16.977 0.933 -25.008 645 2HG1 VAL 81 2HG1 VAL 81 16.549 1.554 -23.414 646 3HG1 VAL 81 3HG1 VAL 81 16.798 -0.175 -23.649 647 1HG2 VAL 81 1HG2 VAL 81 18.881 2.486 -25.106 648 2HG2 VAL 81 2HG2 VAL 81 20.159 2.415 -23.892 649 3HG2 VAL 81 3HG2 VAL 81 18.592 3.112 -23.483 650 H ILE 82 H ILE 82 17.451 -0.004 -20.156 651 HA ILE 82 HA ILE 82 18.307 -2.768 -20.299 652 HB ILE 82 HB ILE 82 16.967 -3.076 -18.242 653 1HG1 ILE 82 1HG1 ILE 82 16.498 -0.086 -18.398 654 2HG1 ILE 82 2HG1 ILE 82 15.275 -1.297 -18.762 655 1HG2 ILE 82 1HG2 ILE 82 18.897 -0.761 -18.197 656 2HG2 ILE 82 2HG2 ILE 82 19.319 -2.471 -18.119 657 3HG2 ILE 82 3HG2 ILE 82 18.417 -1.724 -16.801 658 1HD1 ILE 82 1HD1 ILE 82 15.012 -0.404 -16.522 659 2HD1 ILE 82 2HD1 ILE 82 16.647 -0.921 -16.112 660 3HD1 ILE 82 3HD1 ILE 82 15.407 -2.121 -16.473 661 H ARG 83 H ARG 83 15.589 -0.898 -21.316 662 HA ARG 83 HA ARG 83 14.270 -3.343 -22.215 663 1HB ARG 83 1HB ARG 83 13.033 -1.302 -20.398 664 2HB ARG 83 2HB ARG 83 12.042 -2.241 -21.501 665 1HG ARG 83 1HG ARG 83 13.844 -3.374 -19.382 666 2HG ARG 83 2HG ARG 83 12.097 -3.184 -19.261 667 1HD ARG 83 1HD ARG 83 11.877 -4.644 -21.267 668 2HD ARG 83 2HD ARG 83 13.611 -4.925 -21.174 669 HE ARG 83 HE ARG 83 12.004 -5.543 -18.820 670 1HH1 ARG 83 1HH1 ARG 83 13.808 -6.700 -21.599 671 2HH1 ARG 83 2HH1 ARG 83 13.908 -8.330 -20.996 672 1HH2 ARG 83 1HH2 ARG 83 12.142 -7.690 -18.049 673 2HH2 ARG 83 2HH2 ARG 83 12.983 -8.884 -18.990 674 H GLU 84 H GLU 84 12.758 -3.045 -23.847 675 HA GLU 84 HA GLU 84 12.415 -0.412 -25.045 676 1HB GLU 84 1HB GLU 84 13.561 -2.762 -26.581 677 2HB GLU 84 2HB GLU 84 13.003 -1.268 -27.315 678 1HG GLU 84 1HG GLU 84 14.728 -0.038 -26.067 679 2HG GLU 84 2HG GLU 84 15.306 -1.563 -25.403 680 H ILE 85 H ILE 85 10.285 -0.233 -25.420 681 HA ILE 85 HA ILE 85 8.760 -2.734 -25.752 682 HB ILE 85 HB ILE 85 7.838 -0.113 -24.555 683 1HG1 ILE 85 1HG1 ILE 85 7.379 -1.728 -22.576 684 2HG1 ILE 85 2HG1 ILE 85 8.505 -2.805 -23.391 685 1HG2 ILE 85 1HG2 ILE 85 6.303 -2.667 -24.992 686 2HG2 ILE 85 2HG2 ILE 85 6.054 -1.141 -25.841 687 3HG2 ILE 85 3HG2 ILE 85 5.720 -1.254 -24.114 688 1HD1 ILE 85 1HD1 ILE 85 9.635 -1.547 -21.676 689 2HD1 ILE 85 2HD1 ILE 85 9.089 -0.031 -22.395 690 3HD1 ILE 85 3HD1 ILE 85 10.226 -1.061 -23.266 691 HA PRO 86 HA PRO 86 7.730 -1.082 -29.797 692 1HB PRO 86 1HB PRO 86 6.201 -3.169 -30.578 693 2HB PRO 86 2HB PRO 86 7.965 -3.261 -30.533 694 1HG PRO 86 1HG PRO 86 5.969 -4.254 -28.531 695 2HG PRO 86 2HG PRO 86 7.411 -5.069 -29.171 696 1HD PRO 86 1HD PRO 86 7.385 -3.824 -26.764 697 2HD PRO 86 2HD PRO 86 8.838 -3.909 -27.780 698 HA PRO 87 HA PRO 87 3.911 0.926 -28.993 699 1HB PRO 87 1HB PRO 87 2.914 1.208 -31.528 700 2HB PRO 87 2HB PRO 87 4.202 2.213 -30.859 701 1HG PRO 87 1HG PRO 87 4.405 -0.179 -32.649 702 2HG PRO 87 2HG PRO 87 5.292 1.356 -32.726 703 1HD PRO 87 1HD PRO 87 6.403 -0.856 -31.699 704 2HD PRO 87 2HD PRO 87 6.738 0.751 -31.021 705 H LYS 88 H LYS 88 3.888 -2.018 -30.869 706 HA LYS 88 HA LYS 88 1.021 -2.341 -30.680 707 1HB LYS 88 1HB LYS 88 1.466 -4.573 -31.740 708 2HB LYS 88 2HB LYS 88 1.993 -3.185 -32.679 709 1HG LYS 88 1HG LYS 88 4.066 -4.273 -30.925 710 2HG LYS 88 2HG LYS 88 3.490 -5.406 -32.151 711 1HD LYS 88 1HD LYS 88 4.457 -2.597 -32.698 712 2HD LYS 88 2HD LYS 88 5.419 -4.062 -32.915 713 1HE LYS 88 1HE LYS 88 3.823 -4.882 -34.565 714 2HE LYS 88 2HE LYS 88 2.822 -3.450 -34.330 715 1HZ LYS 88 1HZ LYS 88 4.189 -3.245 -36.302 716 2HZ LYS 88 2HZ LYS 88 5.597 -3.476 -35.394 717 3HZ LYS 88 3HZ LYS 88 4.653 -2.091 -35.154 718 H ARG 89 H ARG 89 3.440 -2.714 -28.489 719 HA ARG 89 HA ARG 89 1.806 -4.584 -26.935 720 1HB ARG 89 1HB ARG 89 3.844 -5.674 -28.057 721 2HB ARG 89 2HB ARG 89 4.817 -4.724 -26.941 722 1HG ARG 89 1HG ARG 89 3.969 -5.858 -25.073 723 2HG ARG 89 2HG ARG 89 2.640 -6.558 -26.002 724 1HD ARG 89 1HD ARG 89 4.314 -8.230 -25.602 725 2HD ARG 89 2HD ARG 89 4.274 -7.845 -27.317 726 HE ARG 89 HE ARG 89 6.315 -6.749 -25.482 727 1HH1 ARG 89 1HH1 ARG 89 5.401 -8.270 -28.505 728 2HH1 ARG 89 2HH1 ARG 89 7.016 -8.258 -29.146 729 1HH2 ARG 89 1HH2 ARG 89 8.443 -6.738 -26.335 730 2HH2 ARG 89 2HH2 ARG 89 8.731 -7.378 -27.928 731 H TRP 90 H TRP 90 2.447 -1.639 -27.126 732 HA TRP 90 HA TRP 90 3.856 -0.907 -24.764 733 1HB TRP 90 1HB TRP 90 3.741 0.602 -26.660 734 2HB TRP 90 2HB TRP 90 1.985 0.643 -26.564 735 HD1 TRP 90 HD1 TRP 90 0.956 2.530 -25.168 736 HE1 TRP 90 HE1 TRP 90 1.851 4.318 -23.560 737 HE3 TRP 90 HE3 TRP 90 5.796 0.921 -24.788 738 HZ2 TRP 90 HZ2 TRP 90 4.292 4.972 -22.297 739 HZ3 TRP 90 HZ3 TRP 90 7.349 2.186 -23.357 740 HH2 TRP 90 HH2 TRP 90 6.611 4.168 -22.138 741 H LEU 91 H LEU 91 0.571 -1.719 -25.501 742 HA LEU 91 HA LEU 91 -0.791 -0.446 -23.415 743 1HB LEU 91 1HB LEU 91 -1.371 -3.052 -24.818 744 2HB LEU 91 2HB LEU 91 -2.481 -2.275 -23.704 745 HG LEU 91 HG LEU 91 -1.492 -1.018 -26.267 746 1HD1 LEU 91 1HD1 LEU 91 -4.114 -2.374 -25.646 747 2HD1 LEU 91 2HD1 LEU 91 -2.866 -2.973 -26.739 748 3HD1 LEU 91 3HD1 LEU 91 -3.738 -1.490 -27.125 749 1HD2 LEU 91 1HD2 LEU 91 -3.284 0.587 -25.873 750 2HD2 LEU 91 2HD2 LEU 91 -2.139 0.587 -24.533 751 3HD2 LEU 91 3HD2 LEU 91 -3.696 -0.224 -24.365 752 H ASP 92 H ASP 92 0.793 -3.595 -23.556 753 HA ASP 92 HA ASP 92 0.074 -4.676 -21.112 754 1HB ASP 92 1HB ASP 92 2.814 -4.864 -22.382 755 2HB ASP 92 2HB ASP 92 2.056 -6.042 -21.314 756 H PHE 93 H PHE 93 2.818 -2.599 -21.894 757 HA PHE 93 HA PHE 93 3.913 -2.487 -19.299 758 1HB PHE 93 1HB PHE 93 5.252 -1.984 -21.241 759 2HB PHE 93 2HB PHE 93 4.186 -0.661 -21.688 760 HD1 PHE 93 HD1 PHE 93 6.642 -1.779 -19.158 761 HD2 PHE 93 HD2 PHE 93 4.517 1.501 -20.847 762 HE1 PHE 93 HE1 PHE 93 8.069 -0.210 -17.909 763 HE2 PHE 93 HE2 PHE 93 5.938 3.071 -19.600 764 HZ PHE 93 HZ PHE 93 7.713 2.219 -18.131 765 H TYR 94 H TYR 94 1.804 -0.252 -21.079 766 HA TYR 94 HA TYR 94 1.733 1.763 -19.113 767 1HB TYR 94 1HB TYR 94 1.085 2.119 -21.466 768 2HB TYR 94 2HB TYR 94 -0.337 1.112 -21.221 769 HD1 TYR 94 HD1 TYR 94 1.238 3.989 -19.413 770 HD2 TYR 94 HD2 TYR 94 -2.289 2.316 -21.101 771 HE1 TYR 94 HE1 TYR 94 -0.032 5.975 -18.713 772 HE2 TYR 94 HE2 TYR 94 -3.569 4.297 -20.405 773 HH TYR 94 HH TYR 94 -1.980 7.123 -19.017 774 H ALA 95 H ALA 95 -0.479 -0.951 -19.753 775 HA ALA 95 HA ALA 95 -2.387 -0.241 -17.790 776 1HB ALA 95 1HB ALA 95 -3.291 -2.464 -18.100 777 2HB ALA 95 2HB ALA 95 -1.815 -2.977 -18.919 778 3HB ALA 95 3HB ALA 95 -2.861 -1.767 -19.662 779 H ALA 96 H ALA 96 0.573 -2.117 -17.664 780 HA ALA 96 HA ALA 96 0.095 -3.281 -15.117 781 1HB ALA 96 1HB ALA 96 2.430 -3.904 -15.161 782 2HB ALA 96 2HB ALA 96 2.728 -2.783 -16.489 783 3HB ALA 96 3HB ALA 96 1.699 -4.193 -16.740 784 H MET 97 H MET 97 1.807 -0.356 -16.180 785 HA MET 97 HA MET 97 2.872 0.250 -13.630 786 1HB MET 97 1HB MET 97 2.531 1.835 -16.143 787 2HB MET 97 2HB MET 97 3.048 2.630 -14.662 788 1HG MET 97 1HG MET 97 4.881 0.892 -14.535 789 2HG MET 97 2HG MET 97 4.437 0.447 -16.182 790 1HE MET 97 1HE MET 97 4.345 4.083 -14.640 791 2HE MET 97 2HE MET 97 5.972 4.649 -15.016 792 3HE MET 97 3HE MET 97 5.740 3.345 -13.856 793 H THR 98 H THR 98 0.002 1.550 -15.312 794 HA THR 98 HA THR 98 -0.580 3.424 -13.270 795 HB THR 98 HB THR 98 -1.466 3.675 -15.549 796 HG1 THR 98 HG1 THR 98 -3.840 3.411 -14.140 797 1HG2 THR 98 1HG2 THR 98 -1.941 1.323 -16.039 798 2HG2 THR 98 2HG2 THR 98 -3.359 2.335 -16.319 799 3HG2 THR 98 3HG2 THR 98 -3.257 1.342 -14.864 800 H GLU 99 H GLU 99 -1.455 0.050 -13.658 801 HA GLU 99 HA GLU 99 -3.439 0.058 -11.637 802 1HB GLU 99 1HB GLU 99 -2.940 -1.607 -13.584 803 2HB GLU 99 2HB GLU 99 -1.833 -2.339 -12.432 804 1HG GLU 99 1HG GLU 99 -3.901 -3.485 -12.360 805 2HG GLU 99 2HG GLU 99 -3.695 -2.591 -10.860 806 H PHE 100 H PHE 100 0.024 -0.534 -11.762 807 HA PHE 100 HA PHE 100 0.172 -1.454 -9.037 808 1HB PHE 100 1HB PHE 100 1.659 -2.401 -10.718 809 2HB PHE 100 2HB PHE 100 2.340 -0.811 -11.046 810 HD1 PHE 100 HD1 PHE 100 1.810 -3.136 -8.169 811 HD2 PHE 100 HD2 PHE 100 4.335 -0.279 -10.057 812 HE1 PHE 100 HE1 PHE 100 3.523 -3.515 -6.444 813 HE2 PHE 100 HE2 PHE 100 6.054 -0.658 -8.341 814 HZ PHE 100 HZ PHE 100 5.648 -2.276 -6.529 815 H LEU 101 H LEU 101 1.527 1.409 -10.759 816 HA LEU 101 HA LEU 101 2.541 2.496 -8.328 817 1HB LEU 101 1HB LEU 101 2.234 3.655 -11.087 818 2HB LEU 101 2HB LEU 101 2.764 4.638 -9.738 819 HG LEU 101 HG LEU 101 4.558 2.726 -9.463 820 1HD1 LEU 101 1HD1 LEU 101 5.260 1.792 -11.578 821 2HD1 LEU 101 2HD1 LEU 101 3.910 2.581 -12.396 822 3HD1 LEU 101 3HD1 LEU 101 3.601 1.305 -11.217 823 1HD2 LEU 101 1HD2 LEU 101 5.040 5.066 -9.886 824 2HD2 LEU 101 2HD2 LEU 101 4.681 4.846 -11.598 825 3HD2 LEU 101 3HD2 LEU 101 6.066 4.029 -10.874 826 H GLY 102 H GLY 102 -0.475 2.848 -10.061 827 1HA GLY 102 1HA GLY 102 -1.358 5.212 -8.754 828 2HA GLY 102 2HA GLY 102 -2.390 4.048 -9.562 829 H LEU 103 H LEU 103 -1.013 2.007 -7.680 830 HA LEU 103 HA LEU 103 -2.995 2.057 -5.623 831 1HB LEU 103 1HB LEU 103 -0.521 0.390 -6.016 832 2HB LEU 103 2HB LEU 103 -1.555 0.213 -4.614 833 HG LEU 103 HG LEU 103 -2.437 -0.186 -7.471 834 1HD1 LEU 103 1HD1 LEU 103 -2.517 -2.560 -6.882 835 2HD1 LEU 103 2HD1 LEU 103 -1.832 -2.189 -5.301 836 3HD1 LEU 103 3HD1 LEU 103 -0.882 -1.915 -6.762 837 1HD2 LEU 103 1HD2 LEU 103 -3.869 -0.704 -4.866 838 2HD2 LEU 103 2HD2 LEU 103 -4.473 -1.094 -6.475 839 3HD2 LEU 103 3HD2 LEU 103 -4.235 0.589 -6.008 840 H PHE 104 H PHE 104 0.140 3.439 -5.938 841 HA PHE 104 HA PHE 104 0.483 3.757 -3.053 842 1HB PHE 104 1HB PHE 104 2.261 4.645 -5.337 843 2HB PHE 104 2HB PHE 104 2.665 4.721 -3.625 844 HD1 PHE 104 HD1 PHE 104 2.434 2.624 -6.563 845 HD2 PHE 104 HD2 PHE 104 3.088 2.653 -2.361 846 HE1 PHE 104 HE1 PHE 104 3.402 0.367 -6.701 847 HE2 PHE 104 HE2 PHE 104 4.058 0.399 -2.493 848 HZ PHE 104 HZ PHE 104 4.217 -0.748 -4.664 849 H VAL 105 H VAL 105 -1.077 5.345 -5.512 850 HA VAL 105 HA VAL 105 -0.820 7.938 -4.154 851 HB VAL 105 HB VAL 105 -1.355 8.885 -6.539 852 1HG1 VAL 105 1HG1 VAL 105 1.060 9.097 -6.977 853 2HG1 VAL 105 2HG1 VAL 105 1.376 7.846 -5.776 854 3HG1 VAL 105 3HG1 VAL 105 0.672 9.385 -5.281 855 1HG2 VAL 105 1HG2 VAL 105 -0.009 6.273 -7.218 856 2HG2 VAL 105 2HG2 VAL 105 -0.313 7.602 -8.338 857 3HG2 VAL 105 3HG2 VAL 105 -1.666 6.722 -7.627 858 H ASP 106 H ASP 106 -2.670 8.147 -3.084 859 HA ASP 106 HA ASP 106 -5.160 7.215 -4.283 860 1HB ASP 106 1HB ASP 106 -4.635 6.610 -1.940 861 2HB ASP 106 2HB ASP 106 -4.644 8.317 -1.512 862 H GLU 107 H GLU 107 -5.193 8.881 -5.902 863 HA GLU 107 HA GLU 107 -6.142 10.701 -6.847 864 1HB GLU 107 1HB GLU 107 -8.037 9.623 -5.500 865 2HB GLU 107 2HB GLU 107 -7.832 10.956 -4.372 866 1HG GLU 107 1HG GLU 107 -9.629 11.391 -5.948 867 2HG GLU 107 2HG GLU 107 -8.312 12.550 -6.146 868 H LYS 108 H LYS 108 -6.421 11.851 -3.479 869 HA LYS 108 HA LYS 108 -5.663 14.495 -4.147 870 1HB LYS 108 1HB LYS 108 -5.704 13.086 -1.469 871 2HB LYS 108 2HB LYS 108 -5.486 14.816 -1.683 872 1HG LYS 108 1HG LYS 108 -7.923 13.290 -2.571 873 2HG LYS 108 2HG LYS 108 -7.783 14.158 -1.042 874 1HD LYS 108 1HD LYS 108 -7.374 16.241 -2.279 875 2HD LYS 108 2HD LYS 108 -7.559 15.361 -3.798 876 1HE LYS 108 1HE LYS 108 -9.852 14.824 -3.242 877 2HE LYS 108 2HE LYS 108 -9.677 15.588 -1.665 878 1HZ LYS 108 1HZ LYS 108 -9.461 16.984 -4.277 879 2HZ LYS 108 2HZ LYS 108 -9.341 17.706 -2.747 880 3HZ LYS 108 3HZ LYS 108 -10.812 17.026 -3.249 881 H LYS 109 H LYS 109 -3.878 11.653 -3.492 882 HA LYS 109 HA LYS 109 -1.418 13.146 -2.945 883 1HB LYS 109 1HB LYS 109 -1.943 10.164 -2.872 884 2HB LYS 109 2HB LYS 109 -0.416 10.932 -2.474 885 1HG LYS 109 1HG LYS 109 -1.419 10.446 -0.416 886 2HG LYS 109 2HG LYS 109 -1.673 12.174 -0.651 887 1HD LYS 109 1HD LYS 109 -3.952 11.752 -1.407 888 2HD LYS 109 2HD LYS 109 -3.698 10.016 -1.244 889 1HE LYS 109 1HE LYS 109 -3.540 11.990 1.030 890 2HE LYS 109 2HE LYS 109 -4.962 11.027 0.637 891 1HZ LYS 109 1HZ LYS 109 -3.455 9.031 0.907 892 2HZ LYS 109 2HZ LYS 109 -3.865 9.870 2.319 893 3HZ LYS 109 3HZ LYS 109 -2.332 10.088 1.622 894 H LEU 110 H LEU 110 -2.976 12.621 -5.619 895 HA LEU 110 HA LEU 110 -1.165 11.101 -7.213 896 1HB LEU 110 1HB LEU 110 -3.476 12.901 -7.864 897 2HB LEU 110 2HB LEU 110 -2.478 12.222 -9.127 898 HG LEU 110 HG LEU 110 -4.094 10.638 -7.134 899 1HD1 LEU 110 1HD1 LEU 110 -5.472 11.807 -8.773 900 2HD1 LEU 110 2HD1 LEU 110 -5.465 10.071 -9.082 901 3HD1 LEU 110 3HD1 LEU 110 -4.488 11.148 -10.080 902 1HD2 LEU 110 1HD2 LEU 110 -2.057 9.473 -7.816 903 2HD2 LEU 110 2HD2 LEU 110 -2.463 9.747 -9.509 904 3HD2 LEU 110 3HD2 LEU 110 -3.488 8.714 -8.511 905 H GLU 111 H GLU 111 -1.412 14.425 -6.344 906 HA GLU 111 HA GLU 111 -0.038 16.203 -6.625 907 1HB GLU 111 1HB GLU 111 1.745 14.061 -7.723 908 2HB GLU 111 2HB GLU 111 2.206 15.753 -7.864 909 1HG GLU 111 1HG GLU 111 1.570 14.328 -5.289 910 2HG GLU 111 2HG GLU 111 3.190 14.680 -5.898 911 H HIS 112 H HIS 112 -0.723 14.245 -9.442 912 HA HIS 112 HA HIS 112 -0.424 16.355 -11.349 913 1HB HIS 112 1HB HIS 112 -2.055 13.794 -11.460 914 2HB HIS 112 2HB HIS 112 -1.821 14.884 -12.815 915 HD1 HIS 112 HD1 HIS 112 -0.495 13.403 -14.348 916 HD2 HIS 112 HD2 HIS 112 1.100 13.598 -10.510 917 HE1 HIS 112 HE1 HIS 112 1.713 12.195 -14.464 918 H HIS 113 H HIS 113 -1.545 18.185 -10.943 919 HA HIS 113 HA HIS 113 -3.765 18.421 -9.341 920 1HB HIS 113 1HB HIS 113 -4.084 20.675 -10.270 921 2HB HIS 113 2HB HIS 113 -2.396 20.344 -9.917 922 HD1 HIS 113 HD1 HIS 113 -0.790 20.061 -11.984 923 HD2 HIS 113 HD2 HIS 113 -4.665 21.267 -12.908 924 HE1 HIS 113 HE1 HIS 113 -0.690 20.925 -14.348 925 H HIS 114 H HIS 114 -5.789 17.912 -9.474 926 HA HIS 114 HA HIS 114 -7.037 17.600 -12.114 927 1HB HIS 114 1HB HIS 114 -8.281 15.607 -11.150 928 2HB HIS 114 2HB HIS 114 -6.574 15.356 -11.483 929 HD1 HIS 114 HD1 HIS 114 -9.074 15.250 -8.774 930 HD2 HIS 114 HD2 HIS 114 -4.935 15.184 -9.139 931 HE1 HIS 114 HE1 HIS 114 -8.209 14.523 -6.533 932 H HIS 115 H HIS 115 -9.034 18.398 -12.318 933 HA HIS 115 HA HIS 115 -10.087 19.841 -9.987 934 1HB HIS 115 1HB HIS 115 -9.525 21.155 -12.005 935 2HB HIS 115 2HB HIS 115 -10.682 20.208 -12.932 936 HD1 HIS 115 HD1 HIS 115 -13.084 20.955 -12.885 937 HD2 HIS 115 HD2 HIS 115 -10.740 22.866 -10.026 938 HE1 HIS 115 HE1 HIS 115 -14.534 22.770 -11.913 939 H HIS 116 H HIS 116 -12.134 19.558 -9.237 940 HA HIS 116 HA HIS 116 -14.190 18.678 -8.889 941 1HB HIS 116 1HB HIS 116 -14.710 19.277 -11.210 942 2HB HIS 116 2HB HIS 116 -14.033 17.751 -11.768 943 HD1 HIS 116 HD1 HIS 116 -16.996 19.169 -9.916 944 HD2 HIS 116 HD2 HIS 116 -15.738 15.569 -11.585 945 HE1 HIS 116 HE1 HIS 116 -19.009 17.654 -9.871 946 H HIS 117 H HIS 117 -12.737 16.277 -11.079 947 HA HIS 117 HA HIS 117 -13.154 14.205 -9.068 948 1HB HIS 117 1HB HIS 117 -13.713 13.709 -11.433 949 2HB HIS 117 2HB HIS 117 -12.041 14.012 -11.886 950 HD1 HIS 117 HD1 HIS 117 -10.296 12.335 -10.402 951 HD2 HIS 117 HD2 HIS 117 -14.202 11.073 -11.089 952 HE1 HIS 117 HE1 HIS 117 -10.258 9.833 -10.133 Start of MODEL 12 1 HA LEU 1 HA LEU 1 4.237 0.692 0.100 2 1HB LEU 1 1HB LEU 1 2.033 2.229 1.482 3 2HB LEU 1 2HB LEU 1 2.185 2.028 -0.251 4 HG LEU 1 HG LEU 1 1.765 -0.239 1.698 5 1HD1 LEU 1 1HD1 LEU 1 -0.188 1.153 -0.129 6 2HD1 LEU 1 2HD1 LEU 1 -0.176 1.228 1.633 7 3HD1 LEU 1 3HD1 LEU 1 -0.518 -0.298 0.818 8 1HD2 LEU 1 1HD2 LEU 1 1.652 -0.151 -1.316 9 2HD2 LEU 1 2HD2 LEU 1 1.289 -1.550 -0.304 10 3HD2 LEU 1 3HD2 LEU 1 2.927 -0.896 -0.351 11 H ASN 2 H ASN 2 6.207 1.825 -0.098 12 HA ASN 2 HA ASN 2 5.818 4.744 -0.100 13 1HB ASN 2 1HB ASN 2 8.257 3.242 0.855 14 2HB ASN 2 2HB ASN 2 8.291 4.948 0.426 15 1HD2 ASN 2 2HD2 ASN 2 7.122 6.428 1.694 16 2HD2 ASN 2 1HD2 ASN 2 6.687 6.050 3.330 17 H ILE 3 H ILE 3 5.763 5.315 -2.148 18 HA ILE 3 HA ILE 3 7.161 3.806 -4.175 19 HB ILE 3 HB ILE 3 4.908 4.702 -4.615 20 1HG1 ILE 3 1HG1 ILE 3 7.031 5.938 -6.390 21 2HG1 ILE 3 2HG1 ILE 3 6.472 4.272 -6.484 22 1HG2 ILE 3 1HG2 ILE 3 4.591 7.111 -5.007 23 2HG2 ILE 3 2HG2 ILE 3 6.234 7.408 -4.436 24 3HG2 ILE 3 3HG2 ILE 3 5.022 6.756 -3.334 25 1HD1 ILE 3 1HD1 ILE 3 4.773 6.707 -6.947 26 2HD1 ILE 3 2HD1 ILE 3 4.251 5.028 -7.090 27 3HD1 ILE 3 3HD1 ILE 3 5.461 5.675 -8.199 28 H GLU 4 H GLU 4 7.755 6.521 -2.196 29 HA GLU 4 HA GLU 4 9.437 8.039 -3.907 30 1HB GLU 4 1HB GLU 4 9.313 7.952 -0.890 31 2HB GLU 4 2HB GLU 4 10.131 9.188 -1.842 32 1HG GLU 4 1HG GLU 4 8.041 9.905 -2.791 33 2HG GLU 4 2HG GLU 4 7.186 8.590 -1.986 34 H ARG 5 H ARG 5 9.927 5.060 -2.499 35 HA ARG 5 HA ARG 5 12.735 5.210 -3.198 36 1HB ARG 5 1HB ARG 5 13.206 3.703 -1.131 37 2HB ARG 5 2HB ARG 5 13.168 5.446 -0.957 38 1HG ARG 5 1HG ARG 5 10.883 5.294 -0.073 39 2HG ARG 5 2HG ARG 5 10.967 3.532 -0.215 40 1HD ARG 5 1HD ARG 5 12.683 3.383 1.392 41 2HD ARG 5 2HD ARG 5 13.022 5.107 1.305 42 HE ARG 5 HE ARG 5 10.730 3.860 2.672 43 1HH1 ARG 5 1HH1 ARG 5 12.689 6.687 1.954 44 2HH1 ARG 5 2HH1 ARG 5 12.169 7.564 3.363 45 1HH2 ARG 5 1HH2 ARG 5 10.052 5.033 4.548 46 2HH2 ARG 5 2HH2 ARG 5 10.698 6.622 4.838 47 H LEU 6 H LEU 6 10.472 4.205 -4.486 48 HA LEU 6 HA LEU 6 10.667 1.319 -4.407 49 1HB LEU 6 1HB LEU 6 8.561 2.475 -5.011 50 2HB LEU 6 2HB LEU 6 9.358 3.180 -6.402 51 HG LEU 6 HG LEU 6 9.728 0.875 -7.278 52 1HD1 LEU 6 1HD1 LEU 6 8.368 -0.947 -6.353 53 2HD1 LEU 6 2HD1 LEU 6 7.887 0.104 -5.022 54 3HD1 LEU 6 3HD1 LEU 6 9.576 -0.371 -5.203 55 1HD2 LEU 6 1HD2 LEU 6 7.425 0.575 -8.044 56 2HD2 LEU 6 2HD2 LEU 6 7.905 2.272 -8.090 57 3HD2 LEU 6 3HD2 LEU 6 6.868 1.683 -6.791 58 H THR 7 H THR 7 12.522 0.434 -5.162 59 HA THR 7 HA THR 7 13.688 1.685 -7.561 60 HB THR 7 HB THR 7 15.144 2.098 -5.684 61 HG1 THR 7 HG1 THR 7 15.993 0.240 -7.629 62 1HG2 THR 7 1HG2 THR 7 15.199 -0.893 -5.295 63 2HG2 THR 7 2HG2 THR 7 14.446 0.282 -4.217 64 3HG2 THR 7 3HG2 THR 7 16.198 0.272 -4.428 65 H THR 8 H THR 8 11.754 -0.604 -7.203 66 HA THR 8 HA THR 8 13.220 -2.458 -8.916 67 HB THR 8 HB THR 8 13.310 -3.496 -6.709 68 HG1 THR 8 HG1 THR 8 13.105 -4.995 -8.322 69 1HG2 THR 8 1HG2 THR 8 11.248 -4.217 -5.572 70 2HG2 THR 8 2HG2 THR 8 10.294 -3.332 -6.762 71 3HG2 THR 8 3HG2 THR 8 11.370 -2.459 -5.671 72 H LEU 9 H LEU 9 12.019 -3.428 -10.491 73 HA LEU 9 HA LEU 9 9.167 -2.690 -10.647 74 1HB LEU 9 1HB LEU 9 11.166 -3.012 -12.887 75 2HB LEU 9 2HB LEU 9 9.448 -2.769 -13.119 76 HG LEU 9 HG LEU 9 11.332 -0.795 -11.830 77 1HD1 LEU 9 1HD1 LEU 9 10.978 0.518 -13.861 78 2HD1 LEU 9 2HD1 LEU 9 9.996 -0.782 -14.535 79 3HD1 LEU 9 3HD1 LEU 9 11.714 -1.041 -14.230 80 1HD2 LEU 9 1HD2 LEU 9 9.066 -0.655 -10.925 81 2HD2 LEU 9 2HD2 LEU 9 8.415 -0.548 -12.561 82 3HD2 LEU 9 3HD2 LEU 9 9.437 0.745 -11.932 83 H GLN 10 H GLN 10 10.624 -5.087 -9.569 84 HA GLN 10 HA GLN 10 10.550 -7.266 -11.258 85 1HB GLN 10 1HB GLN 10 11.571 -7.290 -9.026 86 2HB GLN 10 2HB GLN 10 9.978 -7.251 -8.292 87 1HG GLN 10 1HG GLN 10 10.882 -9.488 -8.240 88 2HG GLN 10 2HG GLN 10 9.463 -9.419 -9.286 89 1HE2 GLN 10 2HE2 GLN 10 9.703 -9.677 -11.488 90 2HE2 GLN 10 1HE2 GLN 10 11.152 -10.308 -12.195 91 HA PRO 11 HA PRO 11 5.950 -8.184 -9.949 92 1HB PRO 11 1HB PRO 11 4.962 -5.497 -9.221 93 2HB PRO 11 2HB PRO 11 4.668 -7.053 -8.439 94 1HG PRO 11 1HG PRO 11 6.251 -5.220 -7.314 95 2HG PRO 11 2HG PRO 11 6.628 -6.952 -7.207 96 1HD PRO 11 1HD PRO 11 7.804 -4.862 -9.006 97 2HD PRO 11 2HD PRO 11 8.616 -6.166 -8.117 98 H VAL 12 H VAL 12 6.969 -5.181 -11.411 99 HA VAL 12 HA VAL 12 4.665 -4.895 -13.098 100 HB VAL 12 HB VAL 12 7.369 -3.559 -13.312 101 1HG1 VAL 12 1HG1 VAL 12 4.721 -2.922 -14.605 102 2HG1 VAL 12 2HG1 VAL 12 6.208 -3.427 -15.409 103 3HG1 VAL 12 3HG1 VAL 12 6.123 -1.853 -14.619 104 1HG2 VAL 12 1HG2 VAL 12 6.299 -3.086 -11.176 105 2HG2 VAL 12 2HG2 VAL 12 4.819 -2.604 -12.007 106 3HG2 VAL 12 3HG2 VAL 12 6.292 -1.654 -12.205 107 H TRP 13 H TRP 13 8.057 -5.830 -13.619 108 HA TRP 13 HA TRP 13 7.827 -6.447 -16.342 109 1HB TRP 13 1HB TRP 13 9.689 -7.551 -14.236 110 2HB TRP 13 2HB TRP 13 9.843 -7.908 -15.951 111 HD1 TRP 13 HD1 TRP 13 11.697 -6.016 -13.751 112 HE1 TRP 13 HE1 TRP 13 12.585 -3.809 -14.731 113 HE3 TRP 13 HE3 TRP 13 8.552 -5.577 -17.757 114 HZ2 TRP 13 HZ2 TRP 13 12.031 -2.113 -16.909 115 HZ3 TRP 13 HZ3 TRP 13 8.798 -3.628 -19.236 116 HH2 TRP 13 HH2 TRP 13 10.498 -1.931 -18.819 117 H ASP 14 H ASP 14 7.339 -8.439 -13.467 118 HA ASP 14 HA ASP 14 6.936 -10.891 -14.768 119 1HB ASP 14 1HB ASP 14 7.284 -10.579 -12.303 120 2HB ASP 14 2HB ASP 14 5.630 -9.985 -12.194 121 H ARG 15 H ARG 15 4.695 -8.306 -13.895 122 HA ARG 15 HA ARG 15 2.342 -9.626 -14.780 123 1HB ARG 15 1HB ARG 15 2.443 -7.701 -13.172 124 2HB ARG 15 2HB ARG 15 2.822 -6.653 -14.530 125 1HG ARG 15 1HG ARG 15 0.681 -7.030 -15.514 126 2HG ARG 15 2HG ARG 15 0.307 -8.298 -14.341 127 1HD ARG 15 1HD ARG 15 0.527 -6.572 -12.543 128 2HD ARG 15 2HD ARG 15 0.663 -5.354 -13.808 129 HE ARG 15 HE ARG 15 -1.605 -5.580 -14.262 130 1HH1 ARG 15 1HH1 ARG 15 -0.566 -8.026 -11.980 131 2HH1 ARG 15 2HH1 ARG 15 -2.166 -8.380 -11.409 132 1HH2 ARG 15 1HH2 ARG 15 -3.727 -6.030 -13.522 133 2HH2 ARG 15 2HH2 ARG 15 -3.963 -7.258 -12.315 134 H TYR 16 H TYR 16 4.625 -7.410 -16.293 135 HA TYR 16 HA TYR 16 3.232 -6.982 -18.708 136 1HB TYR 16 1HB TYR 16 5.120 -5.588 -17.999 137 2HB TYR 16 2HB TYR 16 6.210 -6.960 -18.151 138 HD1 TYR 16 HD1 TYR 16 7.422 -7.201 -20.095 139 HD2 TYR 16 HD2 TYR 16 3.820 -4.944 -20.206 140 HE1 TYR 16 HE1 TYR 16 7.887 -6.591 -22.429 141 HE2 TYR 16 HE2 TYR 16 4.274 -4.325 -22.544 142 HH TYR 16 HH TYR 16 6.824 -5.796 -24.376 143 H ASP 17 H ASP 17 5.667 -9.419 -17.811 144 HA ASP 17 HA ASP 17 5.527 -10.663 -20.384 145 1HB ASP 17 1HB ASP 17 6.926 -11.285 -17.834 146 2HB ASP 17 2HB ASP 17 6.693 -12.595 -18.989 147 H THR 18 H THR 18 3.701 -10.963 -17.453 148 HA THR 18 HA THR 18 2.461 -13.438 -18.155 149 HB THR 18 HB THR 18 1.395 -11.200 -16.408 150 HG1 THR 18 HG1 THR 18 3.305 -12.078 -15.560 151 1HG2 THR 18 1HG2 THR 18 0.541 -14.094 -16.598 152 2HG2 THR 18 2HG2 THR 18 -0.379 -12.712 -17.190 153 3HG2 THR 18 3HG2 THR 18 -0.086 -12.900 -15.461 154 H GLN 19 H GLN 19 1.671 -10.035 -18.630 155 HA GLN 19 HA GLN 19 -0.738 -10.283 -20.003 156 1HB GLN 19 1HB GLN 19 1.367 -8.241 -19.739 157 2HB GLN 19 2HB GLN 19 0.365 -8.107 -21.172 158 1HG GLN 19 1HG GLN 19 -0.415 -7.881 -18.292 159 2HG GLN 19 2HG GLN 19 -0.684 -6.743 -19.610 160 1HE2 GLN 19 2HE2 GLN 19 -2.256 -7.280 -21.213 161 2HE2 GLN 19 1HE2 GLN 19 -3.577 -8.339 -20.818 162 H ILE 20 H ILE 20 2.397 -9.600 -21.391 163 HA ILE 20 HA ILE 20 1.613 -9.586 -24.043 164 HB ILE 20 HB ILE 20 4.252 -10.016 -22.693 165 1HG1 ILE 20 1HG1 ILE 20 3.315 -7.853 -22.303 166 2HG1 ILE 20 2HG1 ILE 20 4.635 -7.672 -23.453 167 1HG2 ILE 20 1HG2 ILE 20 5.352 -9.511 -24.834 168 2HG2 ILE 20 2HG2 ILE 20 3.783 -9.560 -25.639 169 3HG2 ILE 20 3HG2 ILE 20 4.440 -11.019 -24.898 170 1HD1 ILE 20 1HD1 ILE 20 2.743 -6.295 -24.061 171 2HD1 ILE 20 2HD1 ILE 20 1.707 -7.720 -24.121 172 3HD1 ILE 20 3HD1 ILE 20 3.027 -7.541 -25.277 173 H HIS 21 H HIS 21 2.299 -12.309 -22.020 174 HA HIS 21 HA HIS 21 2.815 -14.013 -24.349 175 1HB HIS 21 1HB HIS 21 3.173 -14.547 -21.395 176 2HB HIS 21 2HB HIS 21 3.507 -15.715 -22.665 177 HD1 HIS 21 HD1 HIS 21 5.980 -15.913 -22.724 178 HD2 HIS 21 HD2 HIS 21 4.736 -11.949 -22.416 179 HE1 HIS 21 HE1 HIS 21 8.080 -14.530 -22.827 180 H ASN 22 H ASN 22 0.147 -12.956 -22.953 181 HA ASN 22 HA ASN 22 -1.199 -15.568 -23.170 182 1HB ASN 22 1HB ASN 22 -1.333 -14.559 -20.900 183 2HB ASN 22 2HB ASN 22 -2.153 -13.163 -21.593 184 1HD2 ASN 22 2HD2 ASN 22 -4.307 -13.239 -21.892 185 2HD2 ASN 22 1HD2 ASN 22 -5.279 -14.649 -21.600 186 H GLN 23 H GLN 23 -2.652 -12.331 -23.166 187 HA GLN 23 HA GLN 23 -3.924 -11.207 -24.682 188 1HB GLN 23 1HB GLN 23 -2.237 -12.643 -26.733 189 2HB GLN 23 2HB GLN 23 -3.202 -11.204 -27.010 190 1HG GLN 23 1HG GLN 23 -1.751 -9.996 -25.398 191 2HG GLN 23 2HG GLN 23 -0.736 -11.439 -25.304 192 1HE2 GLN 23 2HE2 GLN 23 1.062 -10.495 -26.197 193 2HE2 GLN 23 1HE2 GLN 23 1.153 -10.018 -27.856 194 H LYS 24 H LYS 24 -4.847 -13.893 -23.860 195 HA LYS 24 HA LYS 24 -5.883 -15.107 -26.281 196 1HB LYS 24 1HB LYS 24 -6.179 -15.936 -23.390 197 2HB LYS 24 2HB LYS 24 -6.691 -16.887 -24.781 198 1HG LYS 24 1HG LYS 24 -4.322 -16.889 -25.560 199 2HG LYS 24 2HG LYS 24 -3.881 -16.109 -24.041 200 1HD LYS 24 1HD LYS 24 -3.478 -18.442 -23.789 201 2HD LYS 24 2HD LYS 24 -4.916 -18.049 -22.846 202 1HE LYS 24 1HE LYS 24 -5.170 -20.137 -24.110 203 2HE LYS 24 2HE LYS 24 -6.339 -18.910 -24.593 204 1HZ LYS 24 1HZ LYS 24 -5.145 -20.224 -26.413 205 2HZ LYS 24 2HZ LYS 24 -3.800 -19.250 -26.070 206 3HZ LYS 24 3HZ LYS 24 -5.251 -18.542 -26.596 207 H ASP 25 H ASP 25 -8.281 -16.189 -25.362 208 HA ASP 25 HA ASP 25 -10.144 -14.358 -26.231 209 1HB ASP 25 1HB ASP 25 -10.621 -16.620 -24.277 210 2HB ASP 25 2HB ASP 25 -11.864 -15.802 -25.213 211 H ASN 26 H ASN 26 -9.819 -15.382 -22.832 212 HA ASN 26 HA ASN 26 -10.763 -12.725 -22.026 213 1HB ASN 26 1HB ASN 26 -10.606 -15.344 -20.533 214 2HB ASN 26 2HB ASN 26 -10.915 -13.812 -19.725 215 1HD2 ASN 26 2HD2 ASN 26 -12.855 -12.708 -20.153 216 2HD2 ASN 26 1HD2 ASN 26 -14.229 -13.531 -20.806 217 H ASP 27 H ASP 27 -9.368 -11.301 -21.379 218 HA ASP 27 HA ASP 27 -6.857 -12.185 -20.127 219 1HB ASP 27 1HB ASP 27 -6.692 -11.464 -22.630 220 2HB ASP 27 2HB ASP 27 -6.945 -9.836 -22.016 221 H ASN 28 H ASN 28 -5.845 -9.623 -19.596 222 HA ASN 28 HA ASN 28 -7.658 -8.745 -17.527 223 1HB ASN 28 1HB ASN 28 -5.161 -8.761 -17.260 224 2HB ASN 28 2HB ASN 28 -5.068 -7.465 -18.446 225 1HD2 ASN 28 2HD2 ASN 28 -4.078 -6.128 -16.921 226 2HD2 ASN 28 1HD2 ASN 28 -4.974 -5.383 -15.634 227 H GLU 29 H GLU 29 -8.216 -6.358 -17.370 228 HA GLU 29 HA GLU 29 -9.543 -5.589 -19.798 229 1HB GLU 29 1HB GLU 29 -10.328 -3.645 -18.414 230 2HB GLU 29 2HB GLU 29 -10.719 -5.229 -17.762 231 1HG GLU 29 1HG GLU 29 -9.033 -5.067 -16.108 232 2HG GLU 29 2HG GLU 29 -8.338 -3.636 -16.869 233 H VAL 30 H VAL 30 -6.816 -5.610 -20.215 234 HA VAL 30 HA VAL 30 -5.638 -3.032 -20.032 235 HB VAL 30 HB VAL 30 -4.192 -4.930 -20.242 236 1HG1 VAL 30 1HG1 VAL 30 -5.654 -6.459 -21.413 237 2HG1 VAL 30 2HG1 VAL 30 -4.113 -6.330 -22.261 238 3HG1 VAL 30 3HG1 VAL 30 -5.534 -5.489 -22.881 239 1HG2 VAL 30 1HG2 VAL 30 -4.112 -3.314 -22.785 240 2HG2 VAL 30 2HG2 VAL 30 -2.792 -4.303 -22.160 241 3HG2 VAL 30 3HG2 VAL 30 -3.347 -2.897 -21.251 242 HA PRO 31 HA PRO 31 -7.939 -1.233 -23.365 243 1HB PRO 31 1HB PRO 31 -6.672 1.153 -23.449 244 2HB PRO 31 2HB PRO 31 -7.810 0.718 -22.168 245 1HG PRO 31 1HG PRO 31 -4.825 0.724 -22.130 246 2HG PRO 31 2HG PRO 31 -5.963 1.205 -20.860 247 1HD PRO 31 1HD PRO 31 -4.656 -1.215 -20.938 248 2HD PRO 31 2HD PRO 31 -6.197 -0.944 -20.102 249 H VAL 32 H VAL 32 -7.208 -2.664 -24.989 250 HA VAL 32 HA VAL 32 -4.762 -1.913 -26.408 251 HB VAL 32 HB VAL 32 -6.572 -4.274 -26.920 252 1HG1 VAL 32 1HG1 VAL 32 -4.684 -5.144 -28.215 253 2HG1 VAL 32 2HG1 VAL 32 -3.783 -3.663 -27.889 254 3HG1 VAL 32 3HG1 VAL 32 -5.255 -3.604 -28.858 255 1HG2 VAL 32 1HG2 VAL 32 -5.583 -4.453 -24.708 256 2HG2 VAL 32 2HG2 VAL 32 -3.983 -4.134 -25.380 257 3HG2 VAL 32 3HG2 VAL 32 -4.836 -5.617 -25.803 258 H HIS 33 H HIS 33 -5.098 -0.265 -27.616 259 HA HIS 33 HA HIS 33 -6.911 -0.476 -29.845 260 1HB HIS 33 1HB HIS 33 -7.981 1.690 -29.421 261 2HB HIS 33 2HB HIS 33 -8.364 0.534 -28.163 262 HD1 HIS 33 HD1 HIS 33 -7.062 3.893 -28.710 263 HD2 HIS 33 HD2 HIS 33 -6.897 1.031 -25.693 264 HE1 HIS 33 HE1 HIS 33 -6.320 5.124 -26.643 265 H GLN 34 H GLN 34 -6.421 1.067 -31.523 266 HA GLN 34 HA GLN 34 -3.636 1.397 -31.803 267 1HB GLN 34 1HB GLN 34 -5.080 1.081 -33.737 268 2HB GLN 34 2HB GLN 34 -5.887 2.609 -33.410 269 1HG GLN 34 1HG GLN 34 -3.746 3.782 -33.789 270 2HG GLN 34 2HG GLN 34 -3.010 2.236 -34.211 271 1HE2 GLN 34 2HE2 GLN 34 -3.496 1.276 -36.167 272 2HE2 GLN 34 1HE2 GLN 34 -4.328 2.119 -37.430 273 H VAL 35 H VAL 35 -2.559 2.739 -30.517 274 HA VAL 35 HA VAL 35 -3.434 5.489 -30.181 275 HB VAL 35 HB VAL 35 -1.236 5.734 -28.933 276 1HG1 VAL 35 1HG1 VAL 35 -3.368 5.388 -27.796 277 2HG1 VAL 35 2HG1 VAL 35 -2.054 4.574 -26.947 278 3HG1 VAL 35 3HG1 VAL 35 -3.172 3.641 -27.944 279 1HG2 VAL 35 1HG2 VAL 35 -1.185 2.730 -29.260 280 2HG2 VAL 35 2HG2 VAL 35 -0.134 3.665 -28.197 281 3HG2 VAL 35 3HG2 VAL 35 -0.026 3.873 -29.943 282 H SER 36 H SER 36 -2.758 7.123 -31.481 283 HA SER 36 HA SER 36 -1.301 6.149 -33.826 284 1HB SER 36 1HB SER 36 -3.687 7.057 -33.955 285 2HB SER 36 2HB SER 36 -2.975 8.651 -33.720 286 HG SER 36 HG SER 36 -2.181 8.616 -35.688 287 H TYR 37 H TYR 37 0.746 6.474 -32.746 288 HA TYR 37 HA TYR 37 2.764 7.494 -32.754 289 1HB TYR 37 1HB TYR 37 1.816 8.225 -35.048 290 2HB TYR 37 2HB TYR 37 1.599 9.799 -34.294 291 HD1 TYR 37 HD1 TYR 37 3.925 7.473 -35.761 292 HD2 TYR 37 HD2 TYR 37 3.619 11.056 -33.488 293 HE1 TYR 37 HE1 TYR 37 6.256 8.018 -36.317 294 HE2 TYR 37 HE2 TYR 37 5.952 11.611 -34.032 295 HH TYR 37 HH TYR 37 7.705 9.997 -36.453 296 H THR 38 H THR 38 0.544 10.276 -32.640 297 HA THR 38 HA THR 38 2.205 11.741 -30.865 298 HB THR 38 HB THR 38 -0.730 12.265 -31.312 299 HG1 THR 38 HG1 THR 38 1.469 12.838 -33.055 300 1HG2 THR 38 1HG2 THR 38 1.640 14.097 -30.910 301 2HG2 THR 38 2HG2 THR 38 0.445 13.681 -29.681 302 3HG2 THR 38 3HG2 THR 38 -0.037 14.604 -31.105 303 H ASN 39 H ASN 39 -0.362 9.432 -30.405 304 HA ASN 39 HA ASN 39 -1.170 10.153 -27.812 305 1HB ASN 39 1HB ASN 39 -1.245 7.533 -29.303 306 2HB ASN 39 2HB ASN 39 -1.834 7.674 -27.653 307 1HD2 ASN 39 2HD2 ASN 39 -2.899 10.351 -28.004 308 2HD2 ASN 39 1HD2 ASN 39 -4.319 10.172 -28.972 309 H LEU 40 H LEU 40 1.394 8.053 -29.004 310 HA LEU 40 HA LEU 40 2.223 6.946 -26.601 311 1HB LEU 40 1HB LEU 40 3.794 7.711 -29.050 312 2HB LEU 40 2HB LEU 40 4.555 6.962 -27.661 313 HG LEU 40 HG LEU 40 2.826 5.082 -27.959 314 1HD1 LEU 40 1HD1 LEU 40 1.355 6.271 -29.504 315 2HD1 LEU 40 2HD1 LEU 40 1.976 4.780 -30.212 316 3HD1 LEU 40 3HD1 LEU 40 2.657 6.335 -30.691 317 1HD2 LEU 40 1HD2 LEU 40 4.244 3.963 -29.595 318 2HD2 LEU 40 2HD2 LEU 40 5.212 4.850 -28.418 319 3HD2 LEU 40 3HD2 LEU 40 4.967 5.508 -30.037 320 H ALA 41 H ALA 41 3.194 10.040 -28.057 321 HA ALA 41 HA ALA 41 5.041 10.791 -26.075 322 1HB ALA 41 1HB ALA 41 4.902 11.893 -28.252 323 2HB ALA 41 2HB ALA 41 4.787 13.061 -26.936 324 3HB ALA 41 3HB ALA 41 3.336 12.575 -27.812 325 H GLU 42 H GLU 42 1.571 11.354 -26.376 326 HA GLU 42 HA GLU 42 1.199 12.990 -24.131 327 1HB GLU 42 1HB GLU 42 -0.692 10.975 -25.365 328 2HB GLU 42 2HB GLU 42 -1.165 12.247 -24.252 329 1HG GLU 42 1HG GLU 42 -0.404 13.920 -25.878 330 2HG GLU 42 2HG GLU 42 0.000 12.619 -26.997 331 H MET 43 H MET 43 1.301 9.509 -24.491 332 HA MET 43 HA MET 43 0.530 8.969 -21.774 333 1HB MET 43 1HB MET 43 1.612 7.174 -23.951 334 2HB MET 43 2HB MET 43 0.963 6.615 -22.413 335 1HG MET 43 1HG MET 43 -1.196 7.099 -22.980 336 2HG MET 43 2HG MET 43 -0.731 8.381 -24.096 337 1HE MET 43 1HE MET 43 -1.312 4.573 -23.570 338 2HE MET 43 2HE MET 43 0.429 4.588 -23.848 339 3HE MET 43 3HE MET 43 -0.651 3.870 -25.045 340 H VAL 44 H VAL 44 3.549 8.929 -23.628 341 HA VAL 44 HA VAL 44 5.213 7.870 -21.625 342 HB VAL 44 HB VAL 44 5.844 9.723 -23.927 343 1HG1 VAL 44 1HG1 VAL 44 7.544 10.026 -22.211 344 2HG1 VAL 44 2HG1 VAL 44 8.201 9.147 -23.592 345 3HG1 VAL 44 3HG1 VAL 44 7.775 8.280 -22.115 346 1HG2 VAL 44 1HG2 VAL 44 6.793 7.691 -24.931 347 2HG2 VAL 44 2HG2 VAL 44 5.073 7.517 -24.582 348 3HG2 VAL 44 3HG2 VAL 44 6.268 6.764 -23.526 349 H GLY 45 H GLY 45 4.225 11.191 -22.323 350 1HA GLY 45 1HA GLY 45 5.934 12.585 -20.641 351 2HA GLY 45 2HA GLY 45 4.301 13.094 -21.042 352 H GLU 46 H GLU 46 2.691 11.338 -19.816 353 HA GLU 46 HA GLU 46 2.951 12.137 -17.086 354 1HB GLU 46 1HB GLU 46 0.853 10.796 -16.771 355 2HB GLU 46 2HB GLU 46 0.746 12.065 -17.981 356 1HG GLU 46 1HG GLU 46 1.036 10.404 -19.748 357 2HG GLU 46 2HG GLU 46 1.149 9.132 -18.533 358 H MET 47 H MET 47 3.595 9.222 -18.888 359 HA MET 47 HA MET 47 3.765 7.390 -16.779 360 1HB MET 47 1HB MET 47 3.764 6.788 -19.185 361 2HB MET 47 2HB MET 47 5.384 7.446 -19.334 362 1HG MET 47 1HG MET 47 5.723 5.163 -19.178 363 2HG MET 47 2HG MET 47 6.047 5.748 -17.550 364 1HE MET 47 1HE MET 47 3.318 4.247 -15.381 365 2HE MET 47 2HE MET 47 3.409 5.926 -15.900 366 3HE MET 47 3HE MET 47 4.882 5.052 -15.487 367 H ASN 48 H ASN 48 6.161 9.606 -18.133 368 HA ASN 48 HA ASN 48 8.336 8.764 -16.530 369 1HB ASN 48 1HB ASN 48 7.748 11.263 -18.082 370 2HB ASN 48 2HB ASN 48 9.136 11.211 -17.002 371 1HD2 ASN 48 2HD2 ASN 48 7.793 10.136 -19.985 372 2HD2 ASN 48 1HD2 ASN 48 9.220 9.362 -20.582 373 H LYS 49 H LYS 49 5.739 11.040 -16.024 374 HA LYS 49 HA LYS 49 6.887 12.372 -13.793 375 1HB LYS 49 1HB LYS 49 3.992 12.175 -14.656 376 2HB LYS 49 2HB LYS 49 4.630 13.318 -13.479 377 1HG LYS 49 1HG LYS 49 5.979 14.376 -15.163 378 2HG LYS 49 2HG LYS 49 5.501 13.170 -16.356 379 1HD LYS 49 1HD LYS 49 4.237 15.165 -16.739 380 2HD LYS 49 2HD LYS 49 3.152 13.933 -16.098 381 1HE LYS 49 1HE LYS 49 3.248 14.946 -13.903 382 2HE LYS 49 2HE LYS 49 4.429 16.126 -14.470 383 1HZ LYS 49 1HZ LYS 49 2.761 16.964 -16.030 384 2HZ LYS 49 2HZ LYS 49 2.245 17.108 -14.422 385 3HZ LYS 49 3HZ LYS 49 1.619 15.874 -15.409 386 H LEU 50 H LEU 50 4.945 9.513 -14.167 387 HA LEU 50 HA LEU 50 4.126 9.300 -11.450 388 1HB LEU 50 1HB LEU 50 4.282 7.251 -13.656 389 2HB LEU 50 2HB LEU 50 3.566 6.943 -12.087 390 HG LEU 50 HG LEU 50 2.596 8.966 -14.106 391 1HD1 LEU 50 1HD1 LEU 50 1.427 6.339 -13.198 392 2HD1 LEU 50 2HD1 LEU 50 2.140 6.673 -14.776 393 3HD1 LEU 50 3HD1 LEU 50 0.653 7.488 -14.291 394 1HD2 LEU 50 1HD2 LEU 50 1.485 8.191 -11.413 395 2HD2 LEU 50 2HD2 LEU 50 0.692 9.246 -12.582 396 3HD2 LEU 50 3HD2 LEU 50 2.213 9.740 -11.836 397 H LEU 51 H LEU 51 7.124 8.809 -12.938 398 HA LEU 51 HA LEU 51 7.980 7.040 -10.741 399 1HB LEU 51 1HB LEU 51 8.924 7.198 -13.590 400 2HB LEU 51 2HB LEU 51 9.852 6.393 -12.339 401 HG LEU 51 HG LEU 51 7.017 5.638 -13.061 402 1HD1 LEU 51 1HD1 LEU 51 7.984 3.753 -14.242 403 2HD1 LEU 51 2HD1 LEU 51 9.610 4.339 -13.890 404 3HD1 LEU 51 3HD1 LEU 51 8.546 5.269 -14.947 405 1HD2 LEU 51 1HD2 LEU 51 9.130 4.236 -11.421 406 2HD2 LEU 51 2HD2 LEU 51 7.524 3.612 -11.796 407 3HD2 LEU 51 3HD2 LEU 51 7.695 5.047 -10.787 408 H GLU 52 H GLU 52 8.007 10.130 -11.429 409 HA GLU 52 HA GLU 52 10.728 10.874 -11.314 410 1HB GLU 52 1HB GLU 52 8.232 12.403 -10.597 411 2HB GLU 52 2HB GLU 52 9.840 13.110 -10.580 412 1HG GLU 52 1HG GLU 52 10.074 12.589 -12.966 413 2HG GLU 52 2HG GLU 52 8.433 11.944 -12.967 414 HA PRO 53 HA PRO 53 10.168 11.425 -6.565 415 1HB PRO 53 1HB PRO 53 8.038 10.333 -5.321 416 2HB PRO 53 2HB PRO 53 7.982 11.947 -6.038 417 1HG PRO 53 1HG PRO 53 6.990 9.347 -7.151 418 2HG PRO 53 2HG PRO 53 6.192 10.932 -7.135 419 1HD PRO 53 1HD PRO 53 7.492 9.963 -9.310 420 2HD PRO 53 2HD PRO 53 7.395 11.695 -8.940 421 H SER 54 H SER 54 9.739 8.598 -8.335 422 HA SER 54 HA SER 54 10.241 6.762 -6.148 423 1HB SER 54 1HB SER 54 8.696 6.239 -8.069 424 2HB SER 54 2HB SER 54 10.109 6.192 -9.117 425 HG SER 54 HG SER 54 9.329 4.145 -8.182 426 H GLN 55 H GLN 55 12.031 5.058 -6.591 427 HA GLN 55 HA GLN 55 14.509 6.523 -6.973 428 1HB GLN 55 1HB GLN 55 13.925 3.706 -6.075 429 2HB GLN 55 2HB GLN 55 15.559 4.293 -6.356 430 1HG GLN 55 1HG GLN 55 13.613 5.517 -4.433 431 2HG GLN 55 2HG GLN 55 14.858 4.356 -3.989 432 1HE2 GLN 55 2HE2 GLN 55 15.838 5.839 -2.601 433 2HE2 GLN 55 1HE2 GLN 55 16.771 7.172 -3.189 434 H VAL 56 H VAL 56 12.667 3.981 -8.545 435 HA VAL 56 HA VAL 56 14.663 3.512 -10.537 436 HB VAL 56 HB VAL 56 12.599 2.520 -11.816 437 1HG1 VAL 56 1HG1 VAL 56 12.883 0.417 -10.626 438 2HG1 VAL 56 2HG1 VAL 56 13.657 1.269 -9.291 439 3HG1 VAL 56 3HG1 VAL 56 14.431 1.222 -10.874 440 1HG2 VAL 56 1HG2 VAL 56 10.893 3.524 -10.368 441 2HG2 VAL 56 2HG2 VAL 56 11.530 2.621 -8.995 442 3HG2 VAL 56 3HG2 VAL 56 10.803 1.763 -10.354 443 H HIS 57 H HIS 57 15.166 5.602 -11.236 444 HA HIS 57 HA HIS 57 13.161 7.170 -12.569 445 1HB HIS 57 1HB HIS 57 16.116 7.445 -12.167 446 2HB HIS 57 2HB HIS 57 15.325 8.396 -13.420 447 HD1 HIS 57 HD1 HIS 57 14.697 10.643 -12.644 448 HD2 HIS 57 HD2 HIS 57 14.589 7.853 -9.555 449 HE1 HIS 57 HE1 HIS 57 14.036 11.930 -10.583 450 H LEU 58 H LEU 58 12.363 5.605 -14.013 451 HA LEU 58 HA LEU 58 14.091 4.730 -16.155 452 1HB LEU 58 1HB LEU 58 11.101 4.488 -15.806 453 2HB LEU 58 2HB LEU 58 11.984 3.851 -17.177 454 HG LEU 58 HG LEU 58 11.734 1.977 -15.873 455 1HD1 LEU 58 1HD1 LEU 58 14.316 3.158 -14.875 456 2HD1 LEU 58 2HD1 LEU 58 14.089 2.277 -16.386 457 3HD1 LEU 58 3HD1 LEU 58 13.876 1.451 -14.842 458 1HD2 LEU 58 1HD2 LEU 58 11.943 1.940 -13.431 459 2HD2 LEU 58 2HD2 LEU 58 10.671 3.025 -13.990 460 3HD2 LEU 58 3HD2 LEU 58 12.215 3.681 -13.447 461 H LYS 59 H LYS 59 14.644 6.010 -17.714 462 HA LYS 59 HA LYS 59 13.022 8.350 -18.335 463 1HB LYS 59 1HB LYS 59 15.738 7.515 -19.386 464 2HB LYS 59 2HB LYS 59 14.984 9.096 -19.575 465 1HG LYS 59 1HG LYS 59 15.358 9.694 -17.394 466 2HG LYS 59 2HG LYS 59 15.404 8.023 -16.833 467 1HD LYS 59 1HD LYS 59 17.617 8.742 -16.677 468 2HD LYS 59 2HD LYS 59 17.567 7.823 -18.181 469 1HE LYS 59 1HE LYS 59 17.545 9.802 -19.487 470 2HE LYS 59 2HE LYS 59 17.258 10.813 -18.068 471 1HZ LYS 59 1HZ LYS 59 19.720 9.261 -18.658 472 2HZ LYS 59 2HZ LYS 59 19.447 10.129 -17.226 473 3HZ LYS 59 3HZ LYS 59 19.560 10.948 -18.707 474 H PHE 60 H PHE 60 11.396 7.870 -19.635 475 HA PHE 60 HA PHE 60 11.603 5.731 -21.570 476 1HB PHE 60 1HB PHE 60 9.312 7.623 -20.985 477 2HB PHE 60 2HB PHE 60 9.228 6.201 -22.018 478 HD1 PHE 60 HD1 PHE 60 9.371 3.950 -21.037 479 HD2 PHE 60 HD2 PHE 60 9.217 7.445 -18.614 480 HE1 PHE 60 HE1 PHE 60 8.775 2.571 -19.094 481 HE2 PHE 60 HE2 PHE 60 8.619 6.068 -16.665 482 HZ PHE 60 HZ PHE 60 8.398 3.627 -16.903 483 H GLU 61 H GLU 61 12.433 6.058 -23.495 484 HA GLU 61 HA GLU 61 12.298 8.786 -24.610 485 1HB GLU 61 1HB GLU 61 14.460 6.684 -24.855 486 2HB GLU 61 2HB GLU 61 14.432 8.180 -25.777 487 1HG GLU 61 1HG GLU 61 14.401 8.143 -22.778 488 2HG GLU 61 2HG GLU 61 15.895 8.118 -23.714 489 H LEU 62 H LEU 62 11.517 9.033 -26.596 490 HA LEU 62 HA LEU 62 10.471 6.685 -27.964 491 1HB LEU 62 1HB LEU 62 9.013 8.626 -27.642 492 2HB LEU 62 2HB LEU 62 10.137 9.631 -28.535 493 HG LEU 62 HG LEU 62 9.706 8.247 -30.563 494 1HD1 LEU 62 1HD1 LEU 62 7.775 6.747 -30.582 495 2HD1 LEU 62 2HD1 LEU 62 7.568 6.988 -28.846 496 3HD1 LEU 62 3HD1 LEU 62 9.013 6.186 -29.460 497 1HD2 LEU 62 1HD2 LEU 62 7.278 9.496 -29.281 498 2HD2 LEU 62 2HD2 LEU 62 7.465 9.144 -30.998 499 3HD2 LEU 62 3HD2 LEU 62 8.510 10.336 -30.224 500 H HIS 63 H HIS 63 12.117 5.687 -28.981 501 HA HIS 63 HA HIS 63 13.718 7.321 -30.829 502 1HB HIS 63 1HB HIS 63 14.389 4.824 -29.306 503 2HB HIS 63 2HB HIS 63 15.241 5.203 -30.799 504 HD1 HIS 63 HD1 HIS 63 16.503 7.601 -30.795 505 HD2 HIS 63 HD2 HIS 63 15.379 6.080 -27.088 506 HE1 HIS 63 HE1 HIS 63 17.878 8.848 -29.102 507 H ASP 64 H ASP 64 13.088 7.195 -32.813 508 HA ASP 64 HA ASP 64 11.465 5.019 -33.778 509 1HB ASP 64 1HB ASP 64 11.389 6.290 -35.880 510 2HB ASP 64 2HB ASP 64 10.990 7.312 -34.506 511 H LYS 65 H LYS 65 11.984 3.731 -35.587 512 HA LYS 65 HA LYS 65 14.852 3.091 -35.699 513 1HB LYS 65 1HB LYS 65 12.985 1.400 -34.971 514 2HB LYS 65 2HB LYS 65 12.656 1.289 -36.693 515 1HG LYS 65 1HG LYS 65 14.096 -0.455 -36.439 516 2HG LYS 65 2HG LYS 65 15.241 0.831 -36.825 517 1HD LYS 65 1HD LYS 65 14.519 -0.048 -34.028 518 2HD LYS 65 2HD LYS 65 15.941 -0.599 -34.911 519 1HE LYS 65 1HE LYS 65 16.709 1.748 -35.055 520 2HE LYS 65 2HE LYS 65 15.321 2.236 -34.083 521 1HZ LYS 65 1HZ LYS 65 16.136 0.947 -32.254 522 2HZ LYS 65 2HZ LYS 65 17.396 1.948 -32.790 523 3HZ LYS 65 3HZ LYS 65 17.394 0.303 -33.193 524 H LEU 66 H LEU 66 13.673 1.447 -38.188 525 HA LEU 66 HA LEU 66 14.476 3.438 -40.122 526 1HB LEU 66 1HB LEU 66 15.069 1.007 -40.284 527 2HB LEU 66 2HB LEU 66 13.380 0.662 -40.582 528 HG LEU 66 HG LEU 66 13.466 2.009 -42.640 529 1HD1 LEU 66 1HD1 LEU 66 15.243 3.553 -41.961 530 2HD1 LEU 66 2HD1 LEU 66 15.599 2.787 -43.511 531 3HD1 LEU 66 3HD1 LEU 66 16.412 2.234 -42.047 532 1HD2 LEU 66 1HD2 LEU 66 15.590 -0.124 -42.473 533 2HD2 LEU 66 2HD2 LEU 66 14.841 0.471 -43.954 534 3HD2 LEU 66 3HD2 LEU 66 13.871 -0.392 -42.761 535 H ASN 67 H ASN 67 11.563 1.568 -39.375 536 HA ASN 67 HA ASN 67 9.971 3.730 -40.570 537 1HB ASN 67 1HB ASN 67 10.064 1.799 -42.128 538 2HB ASN 67 2HB ASN 67 9.396 0.773 -40.865 539 1HD2 ASN 67 2HD2 ASN 67 8.747 3.411 -43.050 540 2HD2 ASN 67 1HD2 ASN 67 7.019 3.313 -42.965 541 H GLU 68 H GLU 68 10.475 1.466 -38.031 542 HA GLU 68 HA GLU 68 7.845 1.939 -36.860 543 1HB GLU 68 1HB GLU 68 10.157 0.162 -36.094 544 2HB GLU 68 2HB GLU 68 8.783 0.419 -35.027 545 1HG GLU 68 1HG GLU 68 8.633 -0.701 -37.816 546 2HG GLU 68 2HG GLU 68 8.595 -1.648 -36.327 547 H TYR 69 H TYR 69 7.849 2.400 -34.453 548 HA TYR 69 HA TYR 69 10.057 4.028 -33.506 549 1HB TYR 69 1HB TYR 69 8.620 5.953 -32.970 550 2HB TYR 69 2HB TYR 69 8.636 5.655 -34.703 551 HD1 TYR 69 HD1 TYR 69 6.605 6.150 -31.833 552 HD2 TYR 69 HD2 TYR 69 6.637 4.299 -35.663 553 HE1 TYR 69 HE1 TYR 69 4.150 6.080 -31.817 554 HE2 TYR 69 HE2 TYR 69 4.180 4.222 -35.651 555 HH TYR 69 HH TYR 69 2.353 4.196 -33.924 556 H TYR 70 H TYR 70 10.353 3.653 -31.357 557 HA TYR 70 HA TYR 70 8.085 2.558 -29.861 558 1HB TYR 70 1HB TYR 70 9.504 0.747 -28.953 559 2HB TYR 70 2HB TYR 70 9.252 0.604 -30.687 560 HD1 TYR 70 HD1 TYR 70 11.713 1.626 -28.107 561 HD2 TYR 70 HD2 TYR 70 11.081 0.562 -32.178 562 HE1 TYR 70 HE1 TYR 70 14.139 1.474 -28.438 563 HE2 TYR 70 HE2 TYR 70 13.511 0.415 -32.519 564 HH TYR 70 HH TYR 70 15.737 0.519 -29.856 565 H VAL 71 H VAL 71 8.547 2.361 -27.527 566 HA VAL 71 HA VAL 71 10.232 4.604 -26.653 567 HB VAL 71 HB VAL 71 7.935 3.344 -25.146 568 1HG1 VAL 71 1HG1 VAL 71 9.477 5.891 -24.676 569 2HG1 VAL 71 2HG1 VAL 71 9.571 4.417 -23.712 570 3HG1 VAL 71 3HG1 VAL 71 8.076 5.352 -23.750 571 1HG2 VAL 71 1HG2 VAL 71 7.971 5.888 -26.767 572 2HG2 VAL 71 2HG2 VAL 71 6.646 5.344 -25.738 573 3HG2 VAL 71 3HG2 VAL 71 7.095 4.409 -27.163 574 H LYS 72 H LYS 72 12.084 3.991 -25.780 575 HA LYS 72 HA LYS 72 12.263 1.301 -24.643 576 1HB LYS 72 1HB LYS 72 14.708 1.606 -24.810 577 2HB LYS 72 2HB LYS 72 13.892 1.737 -26.360 578 1HG LYS 72 1HG LYS 72 13.982 4.237 -26.052 579 2HG LYS 72 2HG LYS 72 15.060 3.939 -24.685 580 1HD LYS 72 1HD LYS 72 15.516 3.145 -27.561 581 2HD LYS 72 2HD LYS 72 16.371 4.398 -26.661 582 1HE LYS 72 1HE LYS 72 17.237 2.676 -25.133 583 2HE LYS 72 2HE LYS 72 16.415 1.439 -26.081 584 1HZ LYS 72 1HZ LYS 72 17.770 2.033 -27.985 585 2HZ LYS 72 2HZ LYS 72 18.765 1.634 -26.673 586 3HZ LYS 72 3HZ LYS 72 18.535 3.258 -27.099 587 H VAL 73 H VAL 73 13.236 0.925 -22.634 588 HA VAL 73 HA VAL 73 12.789 3.146 -20.767 589 HB VAL 73 HB VAL 73 12.897 0.167 -20.251 590 1HG1 VAL 73 1HG1 VAL 73 13.659 1.475 -18.330 591 2HG1 VAL 73 2HG1 VAL 73 12.107 0.699 -18.017 592 3HG1 VAL 73 3HG1 VAL 73 12.172 2.421 -18.390 593 1HG2 VAL 73 1HG2 VAL 73 10.483 0.379 -19.848 594 2HG2 VAL 73 2HG2 VAL 73 10.917 0.809 -21.503 595 3HG2 VAL 73 3HG2 VAL 73 10.564 2.076 -20.328 596 H ILE 74 H ILE 74 14.527 4.154 -20.077 597 HA ILE 74 HA ILE 74 17.056 2.655 -19.823 598 HB ILE 74 HB ILE 74 16.687 5.620 -20.321 599 1HG1 ILE 74 1HG1 ILE 74 17.713 3.468 -22.189 600 2HG1 ILE 74 2HG1 ILE 74 16.106 4.184 -22.273 601 1HG2 ILE 74 1HG2 ILE 74 18.684 5.171 -19.025 602 2HG2 ILE 74 2HG2 ILE 74 19.128 5.630 -20.669 603 3HG2 ILE 74 3HG2 ILE 74 19.187 3.936 -20.178 604 1HD1 ILE 74 1HD1 ILE 74 17.120 6.365 -22.727 605 2HD1 ILE 74 2HD1 ILE 74 17.578 5.158 -23.928 606 3HD1 ILE 74 3HD1 ILE 74 18.720 5.624 -22.667 607 H GLU 75 H GLU 75 17.646 2.334 -17.781 608 HA GLU 75 HA GLU 75 16.387 3.815 -15.640 609 1HB GLU 75 1HB GLU 75 16.745 1.405 -15.411 610 2HB GLU 75 2HB GLU 75 18.478 1.628 -15.580 611 1HG GLU 75 1HG GLU 75 18.375 3.068 -13.512 612 2HG GLU 75 2HG GLU 75 16.713 2.514 -13.316 613 H ASP 76 H ASP 76 17.166 5.696 -14.917 614 HA ASP 76 HA ASP 76 19.583 6.817 -15.836 615 1HB ASP 76 1HB ASP 76 17.553 8.078 -15.001 616 2HB ASP 76 2HB ASP 76 18.080 7.691 -13.365 617 H SER 77 H SER 77 18.870 4.817 -13.113 618 HA SER 77 HA SER 77 21.019 5.503 -11.431 619 1HB SER 77 1HB SER 77 19.646 2.816 -11.642 620 2HB SER 77 2HB SER 77 20.504 3.464 -10.243 621 HG SER 77 HG SER 77 18.291 3.766 -9.963 622 H THR 78 H THR 78 20.811 3.392 -14.219 623 HA THR 78 HA THR 78 23.648 2.687 -13.843 624 HB THR 78 HB THR 78 23.022 0.848 -15.576 625 HG1 THR 78 HG1 THR 78 20.481 0.883 -14.402 626 1HG2 THR 78 1HG2 THR 78 22.045 0.714 -12.722 627 2HG2 THR 78 2HG2 THR 78 23.681 0.365 -13.281 628 3HG2 THR 78 3HG2 THR 78 22.342 -0.675 -13.767 629 H ASN 79 H ASN 79 21.387 4.342 -15.752 630 HA ASN 79 HA ASN 79 21.483 5.568 -17.640 631 1HB ASN 79 1HB ASN 79 24.424 5.308 -17.082 632 2HB ASN 79 2HB ASN 79 23.848 6.117 -18.538 633 1HD2 ASN 79 2HD2 ASN 79 24.208 6.312 -15.112 634 2HD2 ASN 79 1HD2 ASN 79 23.628 7.940 -14.932 635 H GLU 80 H GLU 80 21.365 2.619 -17.705 636 HA GLU 80 HA GLU 80 22.136 2.318 -20.525 637 1HB GLU 80 1HB GLU 80 22.556 -0.074 -20.120 638 2HB GLU 80 2HB GLU 80 23.646 0.955 -19.204 639 1HG GLU 80 1HG GLU 80 22.309 0.595 -17.198 640 2HG GLU 80 2HG GLU 80 21.198 -0.418 -18.116 641 H VAL 81 H VAL 81 20.879 0.390 -21.522 642 HA VAL 81 HA VAL 81 18.067 0.997 -21.034 643 HB VAL 81 HB VAL 81 19.276 -0.702 -23.225 644 1HG1 VAL 81 1HG1 VAL 81 16.903 -1.113 -22.854 645 2HG1 VAL 81 2HG1 VAL 81 17.164 -0.283 -24.389 646 3HG1 VAL 81 3HG1 VAL 81 16.569 0.614 -22.991 647 1HG2 VAL 81 1HG2 VAL 81 20.178 1.564 -23.312 648 2HG2 VAL 81 2HG2 VAL 81 18.543 2.226 -23.280 649 3HG2 VAL 81 3HG2 VAL 81 19.081 1.268 -24.660 650 H ILE 82 H ILE 82 16.674 -0.364 -20.080 651 HA ILE 82 HA ILE 82 17.660 -3.073 -19.479 652 HB ILE 82 HB ILE 82 16.137 -3.035 -17.509 653 1HG1 ILE 82 1HG1 ILE 82 15.930 -0.078 -18.086 654 2HG1 ILE 82 2HG1 ILE 82 14.636 -1.231 -18.378 655 1HG2 ILE 82 1HG2 ILE 82 18.507 -2.590 -17.240 656 2HG2 ILE 82 2HG2 ILE 82 17.573 -1.576 -16.138 657 3HG2 ILE 82 3HG2 ILE 82 18.249 -0.884 -17.612 658 1HD1 ILE 82 1HD1 ILE 82 14.535 -1.733 -15.999 659 2HD1 ILE 82 2HD1 ILE 82 14.313 -0.008 -16.295 660 3HD1 ILE 82 3HD1 ILE 82 15.860 -0.609 -15.701 661 H ARG 83 H ARG 83 15.459 -1.461 -21.366 662 HA ARG 83 HA ARG 83 14.115 -3.815 -22.169 663 1HB ARG 83 1HB ARG 83 13.029 -3.079 -19.872 664 2HB ARG 83 2HB ARG 83 12.199 -1.906 -20.883 665 1HG ARG 83 1HG ARG 83 10.703 -3.651 -20.817 666 2HG ARG 83 2HG ARG 83 11.567 -3.960 -22.325 667 1HD ARG 83 1HD ARG 83 12.987 -5.581 -21.199 668 2HD ARG 83 2HD ARG 83 12.188 -5.245 -19.667 669 HE ARG 83 HE ARG 83 10.571 -6.239 -21.904 670 1HH1 ARG 83 1HH1 ARG 83 12.099 -6.837 -18.797 671 2HH1 ARG 83 2HH1 ARG 83 11.106 -8.225 -18.437 672 1HH2 ARG 83 1HH2 ARG 83 9.298 -8.077 -21.440 673 2HH2 ARG 83 2HH2 ARG 83 9.524 -8.946 -19.951 674 H GLU 84 H GLU 84 12.988 -3.477 -24.107 675 HA GLU 84 HA GLU 84 12.526 -0.673 -24.905 676 1HB GLU 84 1HB GLU 84 13.557 -2.920 -26.649 677 2HB GLU 84 2HB GLU 84 12.968 -1.387 -27.273 678 1HG GLU 84 1HG GLU 84 14.734 -0.231 -25.985 679 2HG GLU 84 2HG GLU 84 15.351 -1.805 -25.485 680 H ILE 85 H ILE 85 10.400 -0.334 -25.111 681 HA ILE 85 HA ILE 85 8.700 -2.666 -25.666 682 HB ILE 85 HB ILE 85 8.004 -0.057 -24.302 683 1HG1 ILE 85 1HG1 ILE 85 7.368 -1.735 -22.445 684 2HG1 ILE 85 2HG1 ILE 85 8.345 -2.893 -23.339 685 1HG2 ILE 85 1HG2 ILE 85 5.773 -1.010 -23.958 686 2HG2 ILE 85 2HG2 ILE 85 6.222 -2.398 -24.949 687 3HG2 ILE 85 3HG2 ILE 85 6.139 -0.791 -25.670 688 1HD1 ILE 85 1HD1 ILE 85 10.286 -1.433 -23.092 689 2HD1 ILE 85 2HD1 ILE 85 9.604 -1.890 -21.531 690 3HD1 ILE 85 3HD1 ILE 85 9.300 -0.282 -22.190 691 HA PRO 86 HA PRO 86 7.879 -0.705 -29.634 692 1HB PRO 86 1HB PRO 86 6.287 -2.702 -30.553 693 2HB PRO 86 2HB PRO 86 8.050 -2.822 -30.546 694 1HG PRO 86 1HG PRO 86 6.071 -3.930 -28.590 695 2HG PRO 86 2HG PRO 86 7.492 -4.714 -29.308 696 1HD PRO 86 1HD PRO 86 7.521 -3.664 -26.818 697 2HD PRO 86 2HD PRO 86 8.956 -3.657 -27.863 698 HA PRO 87 HA PRO 87 4.160 1.432 -28.840 699 1HB PRO 87 1HB PRO 87 3.016 1.555 -31.351 700 2HB PRO 87 2HB PRO 87 4.316 2.610 -30.788 701 1HG PRO 87 1HG PRO 87 4.468 0.145 -32.469 702 2HG PRO 87 2HG PRO 87 5.365 1.668 -32.626 703 1HD PRO 87 1HD PRO 87 6.498 -0.513 -31.554 704 2HD PRO 87 2HD PRO 87 6.851 1.112 -30.934 705 H LYS 88 H LYS 88 3.847 -1.533 -30.706 706 HA LYS 88 HA LYS 88 1.014 -1.733 -30.400 707 1HB LYS 88 1HB LYS 88 1.272 -3.927 -31.438 708 2HB LYS 88 2HB LYS 88 2.186 -2.706 -32.311 709 1HG LYS 88 1HG LYS 88 4.185 -3.504 -30.894 710 2HG LYS 88 2HG LYS 88 3.188 -4.927 -30.579 711 1HD LYS 88 1HD LYS 88 4.095 -3.896 -33.264 712 2HD LYS 88 2HD LYS 88 4.619 -5.376 -32.460 713 1HE LYS 88 1HE LYS 88 2.429 -6.335 -32.675 714 2HE LYS 88 2HE LYS 88 1.780 -4.819 -33.301 715 1HZ LYS 88 1HZ LYS 88 2.177 -6.354 -35.093 716 2HZ LYS 88 2HZ LYS 88 3.790 -6.551 -34.628 717 3HZ LYS 88 3HZ LYS 88 3.262 -5.057 -35.225 718 H ARG 89 H ARG 89 3.605 -2.373 -28.311 719 HA ARG 89 HA ARG 89 1.838 -4.030 -26.639 720 1HB ARG 89 1HB ARG 89 4.831 -4.213 -26.977 721 2HB ARG 89 2HB ARG 89 3.978 -4.949 -25.622 722 1HG ARG 89 1HG ARG 89 2.577 -6.178 -27.301 723 2HG ARG 89 2HG ARG 89 3.675 -5.580 -28.545 724 1HD ARG 89 1HD ARG 89 4.641 -7.100 -26.144 725 2HD ARG 89 2HD ARG 89 4.105 -7.915 -27.611 726 HE ARG 89 HE ARG 89 5.905 -6.341 -28.664 727 1HH1 ARG 89 1HH1 ARG 89 6.121 -8.050 -25.614 728 2HH1 ARG 89 2HH1 ARG 89 7.845 -8.256 -25.706 729 1HH2 ARG 89 1HH2 ARG 89 8.165 -6.606 -28.785 730 2HH2 ARG 89 2HH2 ARG 89 9.008 -7.392 -27.482 731 H TRP 90 H TRP 90 2.889 -1.053 -26.987 732 HA TRP 90 HA TRP 90 3.938 -0.363 -24.436 733 1HB TRP 90 1HB TRP 90 4.310 1.039 -26.396 734 2HB TRP 90 2HB TRP 90 2.582 1.309 -26.564 735 HD1 TRP 90 HD1 TRP 90 1.709 3.470 -25.543 736 HE1 TRP 90 HE1 TRP 90 2.581 5.194 -23.847 737 HE3 TRP 90 HE3 TRP 90 5.992 1.089 -24.085 738 HZ2 TRP 90 HZ2 TRP 90 4.780 5.506 -22.115 739 HZ3 TRP 90 HZ3 TRP 90 7.425 2.170 -22.401 740 HH2 TRP 90 HH2 TRP 90 6.828 4.334 -21.438 741 H LEU 91 H LEU 91 0.779 -0.896 -25.690 742 HA LEU 91 HA LEU 91 -0.728 0.540 -23.766 743 1HB LEU 91 1HB LEU 91 -1.516 -1.906 -25.357 744 2HB LEU 91 2HB LEU 91 -2.612 -0.786 -24.567 745 HG LEU 91 HG LEU 91 -0.745 0.050 -26.779 746 1HD1 LEU 91 1HD1 LEU 91 -2.244 -1.695 -27.604 747 2HD1 LEU 91 2HD1 LEU 91 -2.646 -0.120 -28.289 748 3HD1 LEU 91 3HD1 LEU 91 -3.631 -0.795 -26.991 749 1HD2 LEU 91 1HD2 LEU 91 -3.226 1.302 -25.606 750 2HD2 LEU 91 2HD2 LEU 91 -2.302 1.937 -26.966 751 3HD2 LEU 91 3HD2 LEU 91 -1.568 1.853 -25.364 752 H ASP 92 H ASP 92 0.101 -2.909 -24.058 753 HA ASP 92 HA ASP 92 -1.021 -3.772 -21.648 754 1HB ASP 92 1HB ASP 92 1.385 -4.857 -23.128 755 2HB ASP 92 2HB ASP 92 0.547 -5.695 -21.828 756 H PHE 93 H PHE 93 2.131 -2.436 -22.414 757 HA PHE 93 HA PHE 93 3.350 -2.792 -19.910 758 1HB PHE 93 1HB PHE 93 4.609 -2.193 -21.932 759 2HB PHE 93 2HB PHE 93 3.827 -0.617 -21.962 760 HD1 PHE 93 HD1 PHE 93 6.083 -2.773 -19.966 761 HD2 PHE 93 HD2 PHE 93 4.699 1.174 -20.747 762 HE1 PHE 93 HE1 PHE 93 7.872 -1.868 -18.541 763 HE2 PHE 93 HE2 PHE 93 6.484 2.086 -19.323 764 HZ PHE 93 HZ PHE 93 8.075 0.563 -18.217 765 H TYR 94 H TYR 94 1.676 0.067 -21.259 766 HA TYR 94 HA TYR 94 1.905 1.666 -18.982 767 1HB TYR 94 1HB TYR 94 1.227 2.593 -21.144 768 2HB TYR 94 2HB TYR 94 -0.294 1.706 -21.058 769 HD1 TYR 94 HD1 TYR 94 -2.153 2.591 -19.892 770 HD2 TYR 94 HD2 TYR 94 1.679 4.386 -19.411 771 HE1 TYR 94 HE1 TYR 94 -3.181 4.439 -18.644 772 HE2 TYR 94 HE2 TYR 94 0.654 6.250 -18.171 773 HH TYR 94 HH TYR 94 -1.584 7.337 -17.979 774 H ALA 95 H ALA 95 -0.555 -0.687 -19.889 775 HA ALA 95 HA ALA 95 -2.398 -0.189 -17.851 776 1HB ALA 95 1HB ALA 95 -3.181 -2.472 -18.223 777 2HB ALA 95 2HB ALA 95 -1.714 -2.834 -19.134 778 3HB ALA 95 3HB ALA 95 -2.868 -1.651 -19.751 779 H ALA 96 H ALA 96 0.292 -2.529 -17.920 780 HA ALA 96 HA ALA 96 -0.043 -3.515 -15.319 781 1HB ALA 96 1HB ALA 96 2.518 -3.294 -16.898 782 2HB ALA 96 2HB ALA 96 1.351 -4.612 -17.009 783 3HB ALA 96 3HB ALA 96 2.238 -4.343 -15.509 784 H MET 97 H MET 97 1.736 -0.740 -16.536 785 HA MET 97 HA MET 97 3.113 -0.090 -14.165 786 1HB MET 97 1HB MET 97 2.233 1.678 -16.453 787 2HB MET 97 2HB MET 97 3.324 2.183 -15.171 788 1HG MET 97 1HG MET 97 3.851 -0.102 -17.054 789 2HG MET 97 2HG MET 97 4.463 1.536 -17.266 790 1HE MET 97 1HE MET 97 6.940 1.944 -14.313 791 2HE MET 97 2HE MET 97 5.262 2.481 -14.398 792 3HE MET 97 3HE MET 97 6.312 2.641 -15.806 793 H THR 98 H THR 98 0.014 1.117 -15.459 794 HA THR 98 HA THR 98 -0.345 2.919 -13.262 795 HB THR 98 HB THR 98 -1.305 3.304 -15.547 796 HG1 THR 98 HG1 THR 98 -3.392 3.293 -13.616 797 1HG2 THR 98 1HG2 THR 98 -2.167 1.080 -16.020 798 2HG2 THR 98 2HG2 THR 98 -3.471 2.266 -16.083 799 3HG2 THR 98 3HG2 THR 98 -3.301 1.214 -14.677 800 H GLU 99 H GLU 99 -1.276 -0.398 -13.864 801 HA GLU 99 HA GLU 99 -3.209 -0.597 -11.801 802 1HB GLU 99 1HB GLU 99 -1.400 -2.692 -13.015 803 2HB GLU 99 2HB GLU 99 -2.692 -3.048 -11.877 804 1HG GLU 99 1HG GLU 99 -4.319 -2.131 -13.456 805 2HG GLU 99 2HG GLU 99 -3.017 -1.803 -14.598 806 H PHE 100 H PHE 100 0.281 -0.969 -11.905 807 HA PHE 100 HA PHE 100 0.448 -1.783 -9.146 808 1HB PHE 100 1HB PHE 100 2.023 -2.635 -10.844 809 2HB PHE 100 2HB PHE 100 2.647 -1.007 -11.074 810 HD1 PHE 100 HD1 PHE 100 2.227 -3.661 -8.515 811 HD2 PHE 100 HD2 PHE 100 4.409 -0.232 -9.771 812 HE1 PHE 100 HE1 PHE 100 3.868 -4.057 -6.726 813 HE2 PHE 100 HE2 PHE 100 6.052 -0.620 -7.984 814 HZ PHE 100 HZ PHE 100 5.785 -2.532 -6.458 815 H LEU 101 H LEU 101 1.565 1.088 -10.973 816 HA LEU 101 HA LEU 101 2.609 2.349 -8.655 817 1HB LEU 101 1HB LEU 101 1.951 3.499 -11.367 818 2HB LEU 101 2HB LEU 101 2.828 4.348 -10.111 819 HG LEU 101 HG LEU 101 3.747 1.824 -11.486 820 1HD1 LEU 101 1HD1 LEU 101 3.799 3.756 -12.957 821 2HD1 LEU 101 2HD1 LEU 101 5.435 3.283 -12.495 822 3HD1 LEU 101 3HD1 LEU 101 4.673 4.681 -11.735 823 1HD2 LEU 101 1HD2 LEU 101 5.106 3.587 -9.448 824 2HD2 LEU 101 2HD2 LEU 101 5.867 2.253 -10.315 825 3HD2 LEU 101 3HD2 LEU 101 4.544 1.935 -9.192 826 H GLY 102 H GLY 102 -0.532 2.438 -10.191 827 1HA GLY 102 1HA GLY 102 -1.357 4.884 -8.957 828 2HA GLY 102 2HA GLY 102 -2.408 3.733 -9.756 829 H LEU 103 H LEU 103 -0.922 1.782 -7.735 830 HA LEU 103 HA LEU 103 -2.965 1.997 -5.693 831 1HB LEU 103 1HB LEU 103 -0.666 0.071 -6.030 832 2HB LEU 103 2HB LEU 103 -1.852 -0.025 -4.740 833 HG LEU 103 HG LEU 103 -2.439 -0.296 -7.690 834 1HD1 LEU 103 1HD1 LEU 103 -1.229 -2.206 -6.791 835 2HD1 LEU 103 2HD1 LEU 103 -2.902 -2.629 -7.151 836 3HD1 LEU 103 3HD1 LEU 103 -2.402 -2.346 -5.483 837 1HD2 LEU 103 1HD2 LEU 103 -4.685 -0.926 -6.974 838 2HD2 LEU 103 2HD2 LEU 103 -4.294 0.715 -6.463 839 3HD2 LEU 103 3HD2 LEU 103 -4.247 -0.605 -5.296 840 H PHE 104 H PHE 104 -0.064 3.466 -6.217 841 HA PHE 104 HA PHE 104 0.514 3.739 -3.339 842 1HB PHE 104 1HB PHE 104 2.332 4.146 -5.726 843 2HB PHE 104 2HB PHE 104 2.782 4.494 -4.063 844 HD1 PHE 104 HD1 PHE 104 2.124 1.869 -6.516 845 HD2 PHE 104 HD2 PHE 104 3.248 2.722 -2.502 846 HE1 PHE 104 HE1 PHE 104 2.899 -0.448 -6.248 847 HE2 PHE 104 HE2 PHE 104 4.026 0.404 -2.225 848 HZ PHE 104 HZ PHE 104 3.852 -1.182 -4.098 849 H VAL 105 H VAL 105 -1.178 5.283 -5.609 850 HA VAL 105 HA VAL 105 -0.072 7.934 -5.004 851 HB VAL 105 HB VAL 105 -1.275 8.757 -7.002 852 1HG1 VAL 105 1HG1 VAL 105 0.206 7.715 -8.658 853 2HG1 VAL 105 2HG1 VAL 105 0.603 6.455 -7.490 854 3HG1 VAL 105 3HG1 VAL 105 1.057 8.128 -7.168 855 1HG2 VAL 105 1HG2 VAL 105 -3.076 7.140 -7.124 856 2HG2 VAL 105 2HG2 VAL 105 -1.920 5.855 -7.472 857 3HG2 VAL 105 3HG2 VAL 105 -2.165 7.161 -8.634 858 H ASP 106 H ASP 106 -1.072 9.063 -3.532 859 HA ASP 106 HA ASP 106 -2.672 10.304 -2.530 860 1HB ASP 106 1HB ASP 106 -3.556 10.605 -4.839 861 2HB ASP 106 2HB ASP 106 -4.586 9.200 -4.595 862 H GLU 107 H GLU 107 -2.601 7.077 -2.572 863 HA GLU 107 HA GLU 107 -3.247 5.427 -1.161 864 1HB GLU 107 1HB GLU 107 -2.959 7.036 0.676 865 2HB GLU 107 2HB GLU 107 -4.617 7.588 0.446 866 1HG GLU 107 1HG GLU 107 -5.125 5.010 0.746 867 2HG GLU 107 2HG GLU 107 -3.604 5.067 1.623 868 H LYS 108 H LYS 108 -5.839 7.732 -1.840 869 HA LYS 108 HA LYS 108 -8.010 6.036 -1.407 870 1HB LYS 108 1HB LYS 108 -7.864 8.225 -3.479 871 2HB LYS 108 2HB LYS 108 -9.313 7.592 -2.706 872 1HG LYS 108 1HG LYS 108 -8.469 8.422 -0.538 873 2HG LYS 108 2HG LYS 108 -7.099 9.142 -1.385 874 1HD LYS 108 1HD LYS 108 -8.773 10.411 -2.777 875 2HD LYS 108 2HD LYS 108 -10.015 9.836 -1.660 876 1HE LYS 108 1HE LYS 108 -7.633 11.567 -1.026 877 2HE LYS 108 2HE LYS 108 -9.335 12.022 -0.967 878 1HZ LYS 108 1HZ LYS 108 -8.569 11.612 1.239 879 2HZ LYS 108 2HZ LYS 108 -7.945 10.094 0.812 880 3HZ LYS 108 3HZ LYS 108 -9.622 10.349 0.813 881 H LYS 109 H LYS 109 -5.833 6.253 -4.118 882 HA LYS 109 HA LYS 109 -7.540 4.686 -5.832 883 1HB LYS 109 1HB LYS 109 -4.758 5.781 -6.181 884 2HB LYS 109 2HB LYS 109 -5.503 4.721 -7.367 885 1HG LYS 109 1HG LYS 109 -5.846 6.873 -8.182 886 2HG LYS 109 2HG LYS 109 -7.391 6.421 -7.462 887 1HD LYS 109 1HD LYS 109 -6.808 7.693 -5.448 888 2HD LYS 109 2HD LYS 109 -5.272 8.152 -6.187 889 1HE LYS 109 1HE LYS 109 -8.029 8.850 -7.197 890 2HE LYS 109 2HE LYS 109 -6.893 9.950 -6.415 891 1HZ LYS 109 1HZ LYS 109 -5.362 9.623 -8.256 892 2HZ LYS 109 2HZ LYS 109 -6.857 10.203 -8.816 893 3HZ LYS 109 3HZ LYS 109 -6.457 8.567 -9.009 894 H LEU 110 H LEU 110 -5.748 3.905 -3.269 895 HA LEU 110 HA LEU 110 -4.589 1.443 -4.186 896 1HB LEU 110 1HB LEU 110 -3.444 2.232 -2.378 897 2HB LEU 110 2HB LEU 110 -4.865 2.954 -1.657 898 HG LEU 110 HG LEU 110 -5.534 0.476 -1.196 899 1HD1 LEU 110 1HD1 LEU 110 -2.535 0.285 -1.432 900 2HD1 LEU 110 2HD1 LEU 110 -3.717 -0.555 -2.438 901 3HD1 LEU 110 3HD1 LEU 110 -3.587 -0.937 -0.720 902 1HD2 LEU 110 1HD2 LEU 110 -5.091 2.258 0.430 903 2HD2 LEU 110 2HD2 LEU 110 -3.371 1.868 0.364 904 3HD2 LEU 110 3HD2 LEU 110 -4.523 0.681 0.981 905 H GLU 111 H GLU 111 -7.658 2.545 -3.483 906 HA GLU 111 HA GLU 111 -9.700 1.607 -3.493 907 1HB GLU 111 1HB GLU 111 -8.666 0.064 -5.197 908 2HB GLU 111 2HB GLU 111 -8.356 -1.068 -3.887 909 1HG GLU 111 1HG GLU 111 -10.770 -1.122 -3.416 910 2HG GLU 111 2HG GLU 111 -11.044 -0.084 -4.813 911 H HIS 112 H HIS 112 -7.276 0.714 -1.329 912 HA HIS 112 HA HIS 112 -7.263 0.170 0.871 913 1HB HIS 112 1HB HIS 112 -10.205 0.850 0.671 914 2HB HIS 112 2HB HIS 112 -9.368 0.524 2.182 915 HD1 HIS 112 HD1 HIS 112 -10.631 3.148 2.136 916 HD2 HIS 112 HD2 HIS 112 -6.866 2.579 0.450 917 HE1 HIS 112 HE1 HIS 112 -9.545 5.413 2.125 918 H HIS 113 H HIS 113 -7.803 -1.789 -1.252 919 HA HIS 113 HA HIS 113 -9.619 -3.720 -0.052 920 1HB HIS 113 1HB HIS 113 -9.707 -3.255 -2.479 921 2HB HIS 113 2HB HIS 113 -8.049 -3.819 -2.638 922 HD1 HIS 113 HD1 HIS 113 -7.989 -6.054 -3.639 923 HD2 HIS 113 HD2 HIS 113 -11.310 -5.571 -1.180 924 HE1 HIS 113 HE1 HIS 113 -9.239 -8.234 -3.746 925 H HIS 114 H HIS 114 -6.415 -2.940 0.235 926 HA HIS 114 HA HIS 114 -4.597 -3.927 1.139 927 1HB HIS 114 1HB HIS 114 -6.605 -6.061 1.818 928 2HB HIS 114 2HB HIS 114 -4.898 -6.249 2.199 929 HD1 HIS 114 HD1 HIS 114 -4.108 -5.234 4.321 930 HD2 HIS 114 HD2 HIS 114 -7.826 -3.779 3.166 931 HE1 HIS 114 HE1 HIS 114 -4.904 -3.817 6.238 932 H HIS 115 H HIS 115 -2.944 -4.589 0.037 933 HA HIS 115 HA HIS 115 -1.578 -5.698 -1.390 934 1HB HIS 115 1HB HIS 115 -3.619 -7.886 -0.992 935 2HB HIS 115 2HB HIS 115 -2.126 -8.100 -1.900 936 HD1 HIS 115 HD1 HIS 115 -3.378 -8.951 1.210 937 HD2 HIS 115 HD2 HIS 115 0.130 -7.059 0.001 938 HE1 HIS 115 HE1 HIS 115 -1.748 -9.255 3.109 939 H HIS 116 H HIS 116 -1.701 -7.164 -3.523 940 HA HIS 116 HA HIS 116 -3.907 -6.335 -5.245 941 1HB HIS 116 1HB HIS 116 -2.452 -5.537 -7.019 942 2HB HIS 116 2HB HIS 116 -2.129 -4.613 -5.558 943 HD1 HIS 116 HD1 HIS 116 -0.596 -7.266 -7.774 944 HD2 HIS 116 HD2 HIS 116 0.441 -4.807 -4.577 945 HE1 HIS 116 HE1 HIS 116 1.896 -7.459 -7.549 946 H HIS 117 H HIS 117 -3.518 -7.432 -7.488 947 HA HIS 117 HA HIS 117 -2.115 -9.983 -7.150 948 1HB HIS 117 1HB HIS 117 -4.854 -9.552 -8.356 949 2HB HIS 117 2HB HIS 117 -3.925 -11.034 -8.555 950 HD1 HIS 117 HD1 HIS 117 -5.967 -9.137 -6.080 951 HD2 HIS 117 HD2 HIS 117 -3.729 -12.641 -6.248 952 HE1 HIS 117 HE1 HIS 117 -6.568 -10.431 -4.005 Start of MODEL 13 1 HA LEU 1 HA LEU 1 2.132 1.552 1.109 2 1HB LEU 1 1HB LEU 1 1.320 2.256 -1.715 3 2HB LEU 1 2HB LEU 1 2.685 1.236 -1.306 4 HG LEU 1 HG LEU 1 -0.207 0.614 -0.693 5 1HD1 LEU 1 1HD1 LEU 1 1.679 -0.543 -2.739 6 2HD1 LEU 1 2HD1 LEU 1 0.271 0.465 -3.070 7 3HD1 LEU 1 3HD1 LEU 1 0.061 -1.144 -2.378 8 1HD2 LEU 1 1HD2 LEU 1 1.286 -0.313 0.984 9 2HD2 LEU 1 2HD2 LEU 1 2.301 -1.009 -0.278 10 3HD2 LEU 1 3HD2 LEU 1 0.653 -1.593 -0.051 11 H ASN 2 H ASN 2 4.340 2.001 0.089 12 HA ASN 2 HA ASN 2 4.849 4.895 0.229 13 1HB ASN 2 1HB ASN 2 5.914 3.582 2.021 14 2HB ASN 2 2HB ASN 2 6.720 2.587 0.813 15 1HD2 ASN 2 2HD2 ASN 2 6.620 5.674 2.387 16 2HD2 ASN 2 1HD2 ASN 2 8.148 6.246 1.810 17 H ILE 3 H ILE 3 5.457 5.859 -1.576 18 HA ILE 3 HA ILE 3 6.498 4.202 -3.781 19 HB ILE 3 HB ILE 3 4.422 5.434 -4.288 20 1HG1 ILE 3 1HG1 ILE 3 6.833 6.522 -5.757 21 2HG1 ILE 3 2HG1 ILE 3 6.042 4.985 -6.092 22 1HG2 ILE 3 1HG2 ILE 3 4.439 7.883 -4.439 23 2HG2 ILE 3 2HG2 ILE 3 6.062 7.906 -3.750 24 3HG2 ILE 3 3HG2 ILE 3 4.703 7.320 -2.789 25 1HD1 ILE 3 1HD1 ILE 3 4.845 7.725 -6.423 26 2HD1 ILE 3 2HD1 ILE 3 3.996 6.202 -6.690 27 3HD1 ILE 3 3HD1 ILE 3 5.369 6.635 -7.708 28 H GLU 4 H GLU 4 7.294 6.563 -1.495 29 HA GLU 4 HA GLU 4 9.114 8.218 -2.808 30 1HB GLU 4 1HB GLU 4 9.021 7.313 0.071 31 2HB GLU 4 2HB GLU 4 10.026 8.628 -0.521 32 1HG GLU 4 1HG GLU 4 8.231 10.020 -0.883 33 2HG GLU 4 2HG GLU 4 7.091 8.684 -1.019 34 H ARG 5 H ARG 5 9.527 4.955 -1.625 35 HA ARG 5 HA ARG 5 12.408 5.161 -2.209 36 1HB ARG 5 1HB ARG 5 11.045 3.332 -0.223 37 2HB ARG 5 2HB ARG 5 12.768 3.363 -0.579 38 1HG ARG 5 1HG ARG 5 12.997 5.552 0.348 39 2HG ARG 5 2HG ARG 5 11.248 5.714 0.531 40 1HD ARG 5 1HD ARG 5 12.934 3.638 1.926 41 2HD ARG 5 2HD ARG 5 12.436 5.170 2.646 42 HE ARG 5 HE ARG 5 10.095 4.357 2.276 43 1HH1 ARG 5 1HH1 ARG 5 12.764 2.120 2.660 44 2HH1 ARG 5 2HH1 ARG 5 11.751 0.827 3.238 45 1HH2 ARG 5 1HH2 ARG 5 8.775 2.657 3.062 46 2HH2 ARG 5 2HH2 ARG 5 9.497 1.136 3.472 47 H LEU 6 H LEU 6 9.711 4.221 -3.555 48 HA LEU 6 HA LEU 6 10.185 1.516 -4.290 49 1HB LEU 6 1HB LEU 6 7.969 2.496 -4.448 50 2HB LEU 6 2HB LEU 6 8.545 3.698 -5.586 51 HG LEU 6 HG LEU 6 9.037 1.857 -7.186 52 1HD1 LEU 6 1HD1 LEU 6 7.971 -0.324 -6.797 53 2HD1 LEU 6 2HD1 LEU 6 7.557 0.192 -5.161 54 3HD1 LEU 6 3HD1 LEU 6 9.248 0.022 -5.631 55 1HD2 LEU 6 1HD2 LEU 6 6.714 1.524 -7.849 56 2HD2 LEU 6 2HD2 LEU 6 7.001 3.191 -7.348 57 3HD2 LEU 6 3HD2 LEU 6 6.177 2.073 -6.261 58 H THR 7 H THR 7 11.884 0.869 -5.469 59 HA THR 7 HA THR 7 12.945 2.721 -7.511 60 HB THR 7 HB THR 7 14.629 0.604 -6.211 61 HG1 THR 7 HG1 THR 7 13.492 2.414 -4.787 62 1HG2 THR 7 1HG2 THR 7 15.243 3.287 -7.450 63 2HG2 THR 7 2HG2 THR 7 15.519 1.707 -8.186 64 3HG2 THR 7 3HG2 THR 7 16.434 2.186 -6.757 65 H THR 8 H THR 8 11.976 -0.541 -6.759 66 HA THR 8 HA THR 8 13.030 -1.507 -9.312 67 HB THR 8 HB THR 8 13.739 -2.743 -7.296 68 HG1 THR 8 HG1 THR 8 13.714 -4.488 -8.476 69 1HG2 THR 8 1HG2 THR 8 11.767 -2.410 -5.904 70 2HG2 THR 8 2HG2 THR 8 12.121 -4.128 -6.075 71 3HG2 THR 8 3HG2 THR 8 10.808 -3.403 -7.002 72 H LEU 9 H LEU 9 11.759 -2.630 -10.767 73 HA LEU 9 HA LEU 9 8.862 -2.167 -10.492 74 1HB LEU 9 1HB LEU 9 10.602 -2.487 -12.935 75 2HB LEU 9 2HB LEU 9 8.853 -2.446 -12.996 76 HG LEU 9 HG LEU 9 10.689 -0.211 -12.138 77 1HD1 LEU 9 1HD1 LEU 9 10.529 -0.580 -14.549 78 2HD1 LEU 9 2HD1 LEU 9 9.767 0.938 -14.073 79 3HD1 LEU 9 3HD1 LEU 9 8.773 -0.472 -14.449 80 1HD2 LEU 9 1HD2 LEU 9 8.684 -0.241 -10.733 81 2HD2 LEU 9 2HD2 LEU 9 7.671 -0.280 -12.176 82 3HD2 LEU 9 3HD2 LEU 9 8.673 1.133 -11.840 83 H GLN 10 H GLN 10 10.334 -4.389 -9.336 84 HA GLN 10 HA GLN 10 10.298 -6.762 -10.670 85 1HB GLN 10 1HB GLN 10 11.168 -6.582 -8.431 86 2HB GLN 10 2HB GLN 10 9.575 -6.250 -7.783 87 1HG GLN 10 1HG GLN 10 10.208 -8.512 -7.278 88 2HG GLN 10 2HG GLN 10 8.861 -8.513 -8.416 89 1HE2 GLN 10 2HE2 GLN 10 9.133 -9.371 -10.433 90 2HE2 GLN 10 1HE2 GLN 10 10.586 -10.170 -10.935 91 HA PRO 11 HA PRO 11 5.654 -7.658 -9.566 92 1HB PRO 11 1HB PRO 11 4.514 -4.969 -9.140 93 2HB PRO 11 2HB PRO 11 4.259 -6.455 -8.220 94 1HG PRO 11 1HG PRO 11 5.700 -4.442 -7.222 95 2HG PRO 11 2HG PRO 11 6.152 -6.132 -6.927 96 1HD PRO 11 1HD PRO 11 7.308 -4.176 -8.882 97 2HD PRO 11 2HD PRO 11 8.139 -5.333 -7.826 98 H VAL 12 H VAL 12 6.639 -4.771 -11.260 99 HA VAL 12 HA VAL 12 4.479 -4.736 -13.132 100 HB VAL 12 HB VAL 12 7.227 -3.503 -13.398 101 1HG1 VAL 12 1HG1 VAL 12 6.159 -2.003 -15.021 102 2HG1 VAL 12 2HG1 VAL 12 4.654 -2.909 -14.854 103 3HG1 VAL 12 3HG1 VAL 12 6.081 -3.689 -15.536 104 1HG2 VAL 12 1HG2 VAL 12 6.116 -2.687 -11.405 105 2HG2 VAL 12 2HG2 VAL 12 4.665 -2.323 -12.337 106 3HG2 VAL 12 3HG2 VAL 12 6.153 -1.427 -12.638 107 H TRP 13 H TRP 13 7.818 -5.924 -13.153 108 HA TRP 13 HA TRP 13 7.785 -6.967 -15.767 109 1HB TRP 13 1HB TRP 13 9.412 -7.700 -13.333 110 2HB TRP 13 2HB TRP 13 9.665 -8.447 -14.907 111 HD1 TRP 13 HD1 TRP 13 11.029 -5.779 -12.893 112 HE1 TRP 13 HE1 TRP 13 12.269 -4.036 -14.325 113 HE3 TRP 13 HE3 TRP 13 9.240 -7.104 -17.493 114 HZ2 TRP 13 HZ2 TRP 13 12.459 -3.321 -17.057 115 HZ3 TRP 13 HZ3 TRP 13 9.999 -5.844 -19.468 116 HH2 TRP 13 HH2 TRP 13 11.575 -3.990 -19.249 117 H ASP 14 H ASP 14 6.955 -8.402 -12.641 118 HA ASP 14 HA ASP 14 6.370 -10.991 -13.490 119 1HB ASP 14 1HB ASP 14 5.271 -9.294 -11.268 120 2HB ASP 14 2HB ASP 14 4.611 -10.895 -11.577 121 H ARG 15 H ARG 15 4.195 -8.184 -13.262 122 HA ARG 15 HA ARG 15 1.938 -9.481 -14.335 123 1HB ARG 15 1HB ARG 15 2.719 -6.612 -14.025 124 2HB ARG 15 2HB ARG 15 1.291 -7.033 -14.959 125 1HG ARG 15 1HG ARG 15 0.550 -8.353 -12.909 126 2HG ARG 15 2HG ARG 15 1.817 -7.479 -12.043 127 1HD ARG 15 1HD ARG 15 -0.457 -6.427 -11.915 128 2HD ARG 15 2HD ARG 15 0.811 -5.377 -12.549 129 HE ARG 15 HE ARG 15 -0.146 -6.273 -14.817 130 1HH1 ARG 15 1HH1 ARG 15 -1.988 -5.427 -11.968 131 2HH1 ARG 15 2HH1 ARG 15 -3.359 -4.873 -12.874 132 1HH2 ARG 15 1HH2 ARG 15 -1.946 -5.556 -15.999 133 2HH2 ARG 15 2HH2 ARG 15 -3.326 -4.900 -15.159 134 H TYR 16 H TYR 16 4.433 -7.482 -15.904 135 HA TYR 16 HA TYR 16 3.243 -7.451 -18.449 136 1HB TYR 16 1HB TYR 16 5.169 -6.016 -17.637 137 2HB TYR 16 2HB TYR 16 6.213 -7.403 -17.924 138 HD1 TYR 16 HD1 TYR 16 3.359 -6.189 -19.981 139 HD2 TYR 16 HD2 TYR 16 7.577 -6.710 -19.709 140 HE1 TYR 16 HE1 TYR 16 3.590 -5.506 -22.329 141 HE2 TYR 16 HE2 TYR 16 7.815 -6.024 -22.061 142 HH TYR 16 HH TYR 16 5.269 -4.581 -23.816 143 H ASP 17 H ASP 17 5.583 -9.695 -17.025 144 HA ASP 17 HA ASP 17 5.909 -11.345 -19.270 145 1HB ASP 17 1HB ASP 17 7.397 -11.533 -17.380 146 2HB ASP 17 2HB ASP 17 6.066 -11.978 -16.317 147 H THR 18 H THR 18 3.568 -11.503 -16.603 148 HA THR 18 HA THR 18 2.429 -13.930 -17.632 149 HB THR 18 HB THR 18 2.518 -13.352 -15.171 150 HG1 THR 18 HG1 THR 18 -0.069 -13.916 -15.280 151 1HG2 THR 18 1HG2 THR 18 0.120 -11.653 -15.865 152 2HG2 THR 18 2HG2 THR 18 1.692 -11.029 -15.364 153 3HG2 THR 18 3HG2 THR 18 0.728 -11.995 -14.246 154 H GLN 19 H GLN 19 1.976 -10.648 -18.351 155 HA GLN 19 HA GLN 19 -0.610 -11.275 -19.575 156 1HB GLN 19 1HB GLN 19 0.806 -8.647 -19.162 157 2HB GLN 19 2HB GLN 19 -0.631 -8.830 -20.157 158 1HG GLN 19 1HG GLN 19 -1.869 -9.661 -18.221 159 2HG GLN 19 2HG GLN 19 -0.429 -9.475 -17.226 160 1HE2 GLN 19 2HE2 GLN 19 -2.958 -7.819 -18.949 161 2HE2 GLN 19 1HE2 GLN 19 -2.762 -6.287 -18.175 162 H ILE 20 H ILE 20 2.684 -11.101 -20.296 163 HA ILE 20 HA ILE 20 2.413 -10.647 -23.107 164 HB ILE 20 HB ILE 20 4.614 -11.520 -21.300 165 1HG1 ILE 20 1HG1 ILE 20 4.407 -9.443 -23.486 166 2HG1 ILE 20 2HG1 ILE 20 4.247 -9.152 -21.755 167 1HG2 ILE 20 1HG2 ILE 20 4.800 -13.165 -23.074 168 2HG2 ILE 20 2HG2 ILE 20 6.101 -11.982 -23.219 169 3HG2 ILE 20 3HG2 ILE 20 4.706 -11.895 -24.295 170 1HD1 ILE 20 1HD1 ILE 20 6.565 -9.832 -21.430 171 2HD1 ILE 20 2HD1 ILE 20 6.435 -8.486 -22.562 172 3HD1 ILE 20 3HD1 ILE 20 6.724 -10.121 -23.162 173 H HIS 21 H HIS 21 2.677 -13.511 -21.028 174 HA HIS 21 HA HIS 21 2.360 -15.282 -23.300 175 1HB HIS 21 1HB HIS 21 2.636 -17.106 -21.756 176 2HB HIS 21 2HB HIS 21 3.846 -15.887 -21.403 177 HD1 HIS 21 HD1 HIS 21 3.672 -17.625 -19.181 178 HD2 HIS 21 HD2 HIS 21 0.816 -14.620 -19.631 179 HE1 HIS 21 HE1 HIS 21 2.612 -17.345 -16.915 180 H ASN 22 H ASN 22 0.305 -13.469 -21.501 181 HA ASN 22 HA ASN 22 -2.016 -14.923 -22.427 182 1HB ASN 22 1HB ASN 22 -1.525 -15.882 -20.142 183 2HB ASN 22 2HB ASN 22 -1.751 -14.268 -19.477 184 1HD2 ASN 22 2HD2 ASN 22 -3.222 -16.582 -18.774 185 2HD2 ASN 22 1HD2 ASN 22 -4.879 -16.309 -19.204 186 H GLN 23 H GLN 23 -2.475 -13.144 -23.684 187 HA GLN 23 HA GLN 23 -2.319 -10.509 -22.527 188 1HB GLN 23 1HB GLN 23 -3.204 -11.407 -25.268 189 2HB GLN 23 2HB GLN 23 -3.089 -9.728 -24.761 190 1HG GLN 23 1HG GLN 23 -0.671 -10.109 -24.292 191 2HG GLN 23 2HG GLN 23 -0.841 -11.711 -25.008 192 1HE2 GLN 23 2HE2 GLN 23 -0.696 -8.302 -25.584 193 2HE2 GLN 23 1HE2 GLN 23 -0.606 -8.395 -27.316 194 H LYS 24 H LYS 24 -3.873 -10.980 -20.851 195 HA LYS 24 HA LYS 24 -6.646 -11.044 -21.560 196 1HB LYS 24 1HB LYS 24 -6.934 -10.409 -19.083 197 2HB LYS 24 2HB LYS 24 -6.224 -11.972 -19.451 198 1HG LYS 24 1HG LYS 24 -3.971 -10.940 -19.085 199 2HG LYS 24 2HG LYS 24 -4.801 -9.491 -18.518 200 1HD LYS 24 1HD LYS 24 -5.860 -10.754 -16.741 201 2HD LYS 24 2HD LYS 24 -5.141 -12.247 -17.343 202 1HE LYS 24 1HE LYS 24 -2.898 -11.293 -16.919 203 2HE LYS 24 2HE LYS 24 -3.666 -9.866 -16.226 204 1HZ LYS 24 1HZ LYS 24 -3.003 -11.400 -14.497 205 2HZ LYS 24 2HZ LYS 24 -3.905 -12.648 -15.204 206 3HZ LYS 24 3HZ LYS 24 -4.694 -11.297 -14.547 207 H ASP 25 H ASP 25 -6.864 -9.409 -23.013 208 HA ASP 25 HA ASP 25 -5.939 -6.753 -22.585 209 1HB ASP 25 1HB ASP 25 -6.170 -7.745 -24.821 210 2HB ASP 25 2HB ASP 25 -7.911 -7.850 -24.601 211 H ASN 26 H ASN 26 -7.121 -4.881 -22.197 212 HA ASN 26 HA ASN 26 -9.675 -5.343 -20.813 213 1HB ASN 26 1HB ASN 26 -7.499 -3.311 -20.361 214 2HB ASN 26 2HB ASN 26 -9.123 -3.070 -19.733 215 1HD2 ASN 26 2HD2 ASN 26 -9.618 -5.846 -19.141 216 2HD2 ASN 26 1HD2 ASN 26 -8.644 -6.238 -17.762 217 H ASP 27 H ASP 27 -11.345 -4.822 -22.031 218 HA ASP 27 HA ASP 27 -11.233 -2.320 -23.582 219 1HB ASP 27 1HB ASP 27 -11.201 -4.395 -25.020 220 2HB ASP 27 2HB ASP 27 -12.779 -4.807 -24.363 221 H ASN 28 H ASN 28 -13.680 -1.729 -24.154 222 HA ASN 28 HA ASN 28 -15.749 -1.102 -23.485 223 1HB ASN 28 1HB ASN 28 -16.226 -3.399 -22.851 224 2HB ASN 28 2HB ASN 28 -15.402 -3.178 -21.310 225 1HD2 ASN 28 2HD2 ASN 28 -16.433 -2.097 -19.652 226 2HD2 ASN 28 1HD2 ASN 28 -18.111 -1.662 -19.724 227 H GLU 29 H GLU 29 -16.064 0.821 -22.712 228 HA GLU 29 HA GLU 29 -15.961 2.705 -21.478 229 1HB GLU 29 1HB GLU 29 -15.608 0.688 -19.277 230 2HB GLU 29 2HB GLU 29 -15.616 2.417 -18.956 231 1HG GLU 29 1HG GLU 29 -17.849 2.522 -20.083 232 2HG GLU 29 2HG GLU 29 -17.832 0.760 -20.126 233 H VAL 30 H VAL 30 -13.521 1.462 -22.646 234 HA VAL 30 HA VAL 30 -11.730 3.428 -21.494 235 HB VAL 30 HB VAL 30 -10.962 1.530 -20.301 236 1HG1 VAL 30 1HG1 VAL 30 -10.900 0.051 -22.924 237 2HG1 VAL 30 2HG1 VAL 30 -12.002 -0.241 -21.578 238 3HG1 VAL 30 3HG1 VAL 30 -10.277 -0.569 -21.394 239 1HG2 VAL 30 1HG2 VAL 30 -8.672 1.251 -21.149 240 2HG2 VAL 30 2HG2 VAL 30 -9.196 2.934 -21.189 241 3HG2 VAL 30 3HG2 VAL 30 -9.162 1.986 -22.675 242 HA PRO 31 HA PRO 31 -11.443 4.166 -25.871 243 1HB PRO 31 1HB PRO 31 -9.476 6.171 -24.987 244 2HB PRO 31 2HB PRO 31 -10.975 6.395 -25.891 245 1HG PRO 31 1HG PRO 31 -10.716 7.160 -23.320 246 2HG PRO 31 2HG PRO 31 -12.251 6.585 -23.994 247 1HD PRO 31 1HD PRO 31 -10.299 5.154 -22.234 248 2HD PRO 31 2HD PRO 31 -12.072 5.081 -22.258 249 H VAL 32 H VAL 32 -10.292 2.548 -26.801 250 HA VAL 32 HA VAL 32 -7.526 2.148 -26.083 251 HB VAL 32 HB VAL 32 -8.739 0.146 -26.452 252 1HG1 VAL 32 1HG1 VAL 32 -9.802 -0.430 -28.588 253 2HG1 VAL 32 2HG1 VAL 32 -9.431 1.183 -29.198 254 3HG1 VAL 32 3HG1 VAL 32 -10.544 0.986 -27.844 255 1HG2 VAL 32 1HG2 VAL 32 -7.442 -0.933 -28.250 256 2HG2 VAL 32 2HG2 VAL 32 -6.444 0.072 -27.199 257 3HG2 VAL 32 3HG2 VAL 32 -6.913 0.661 -28.793 258 H HIS 33 H HIS 33 -6.189 3.515 -26.764 259 HA HIS 33 HA HIS 33 -6.487 4.957 -29.236 260 1HB HIS 33 1HB HIS 33 -4.223 4.922 -27.222 261 2HB HIS 33 2HB HIS 33 -4.376 6.048 -28.560 262 HD1 HIS 33 HD1 HIS 33 -5.424 8.224 -27.966 263 HD2 HIS 33 HD2 HIS 33 -6.582 5.163 -25.387 264 HE1 HIS 33 HE1 HIS 33 -6.838 9.326 -26.199 265 H GLN 34 H GLN 34 -5.633 4.397 -31.146 266 HA GLN 34 HA GLN 34 -4.371 1.795 -31.290 267 1HB GLN 34 1HB GLN 34 -5.394 3.682 -33.410 268 2HB GLN 34 2HB GLN 34 -4.626 2.143 -33.775 269 1HG GLN 34 1HG GLN 34 -6.348 0.981 -32.489 270 2HG GLN 34 2HG GLN 34 -7.126 2.523 -32.145 271 1HE2 GLN 34 2HE2 GLN 34 -6.580 3.570 -34.816 272 2HE2 GLN 34 1HE2 GLN 34 -7.705 2.775 -35.870 273 H VAL 35 H VAL 35 -2.947 4.328 -30.382 274 HA VAL 35 HA VAL 35 -0.791 5.006 -30.313 275 HB VAL 35 HB VAL 35 -0.235 2.582 -32.032 276 1HG1 VAL 35 1HG1 VAL 35 2.040 2.724 -31.151 277 2HG1 VAL 35 2HG1 VAL 35 1.615 4.206 -30.293 278 3HG1 VAL 35 3HG1 VAL 35 1.609 4.172 -32.057 279 1HG2 VAL 35 1HG2 VAL 35 -1.371 1.992 -29.953 280 2HG2 VAL 35 2HG2 VAL 35 -0.164 2.892 -29.032 281 3HG2 VAL 35 3HG2 VAL 35 0.307 1.452 -29.935 282 H SER 36 H SER 36 -1.337 6.884 -31.487 283 HA SER 36 HA SER 36 -0.316 6.886 -34.245 284 1HB SER 36 1HB SER 36 -2.360 8.783 -33.059 285 2HB SER 36 2HB SER 36 -1.854 8.690 -34.746 286 HG SER 36 HG SER 36 -3.502 7.382 -34.898 287 H TYR 37 H TYR 37 1.790 7.364 -33.724 288 HA TYR 37 HA TYR 37 3.628 8.568 -33.174 289 1HB TYR 37 1HB TYR 37 2.854 9.801 -35.122 290 2HB TYR 37 2HB TYR 37 1.841 10.821 -34.105 291 HD1 TYR 37 HD1 TYR 37 2.661 12.930 -33.667 292 HD2 TYR 37 HD2 TYR 37 5.430 9.749 -34.240 293 HE1 TYR 37 HE1 TYR 37 4.523 14.503 -33.347 294 HE2 TYR 37 HE2 TYR 37 7.299 11.314 -33.919 295 HH TYR 37 HH TYR 37 7.744 13.703 -34.099 296 H THR 38 H THR 38 1.466 11.212 -32.254 297 HA THR 38 HA THR 38 3.002 12.016 -30.085 298 HB THR 38 HB THR 38 0.023 12.476 -30.295 299 HG1 THR 38 HG1 THR 38 0.904 14.412 -31.548 300 1HG2 THR 38 1HG2 THR 38 2.286 14.219 -29.302 301 2HG2 THR 38 2HG2 THR 38 1.147 13.338 -28.284 302 3HG2 THR 38 3HG2 THR 38 0.574 14.646 -29.317 303 H ASN 39 H ASN 39 0.545 9.591 -30.315 304 HA ASN 39 HA ASN 39 -0.395 9.296 -27.752 305 1HB ASN 39 1HB ASN 39 -0.021 7.555 -30.087 306 2HB ASN 39 2HB ASN 39 -0.116 6.693 -28.556 307 1HD2 ASN 39 2HD2 ASN 39 -1.776 9.708 -28.799 308 2HD2 ASN 39 1HD2 ASN 39 -3.372 9.049 -28.935 309 H LEU 40 H LEU 40 2.645 8.007 -29.072 310 HA LEU 40 HA LEU 40 3.355 6.502 -26.804 311 1HB LEU 40 1HB LEU 40 5.078 7.804 -28.910 312 2HB LEU 40 2HB LEU 40 5.716 6.764 -27.653 313 HG LEU 40 HG LEU 40 5.552 5.424 -29.576 314 1HD1 LEU 40 1HD1 LEU 40 3.888 3.732 -28.997 315 2HD1 LEU 40 2HD1 LEU 40 3.127 4.868 -27.883 316 3HD1 LEU 40 3HD1 LEU 40 4.772 4.305 -27.582 317 1HD2 LEU 40 1HD2 LEU 40 2.728 6.416 -29.937 318 2HD2 LEU 40 2HD2 LEU 40 3.532 5.202 -30.930 319 3HD2 LEU 40 3HD2 LEU 40 4.124 6.864 -30.919 320 H ALA 41 H ALA 41 4.270 9.790 -27.780 321 HA ALA 41 HA ALA 41 5.853 10.371 -25.532 322 1HB ALA 41 1HB ALA 41 5.938 11.663 -27.615 323 2HB ALA 41 2HB ALA 41 5.674 12.699 -26.213 324 3HB ALA 41 3HB ALA 41 4.329 12.298 -27.281 325 H GLU 42 H GLU 42 2.400 10.640 -26.096 326 HA GLU 42 HA GLU 42 1.722 12.216 -23.876 327 1HB GLU 42 1HB GLU 42 0.136 10.080 -25.309 328 2HB GLU 42 2HB GLU 42 -0.544 11.183 -24.122 329 1HG GLU 42 1HG GLU 42 0.071 13.079 -25.553 330 2HG GLU 42 2HG GLU 42 0.701 11.950 -26.751 331 H MET 43 H MET 43 1.681 8.653 -24.206 332 HA MET 43 HA MET 43 1.031 8.282 -21.453 333 1HB MET 43 1HB MET 43 1.742 6.434 -23.690 334 2HB MET 43 2HB MET 43 1.762 5.834 -22.036 335 1HG MET 43 1HG MET 43 -0.368 5.309 -22.698 336 2HG MET 43 2HG MET 43 -0.612 6.859 -21.901 337 1HE MET 43 1HE MET 43 -0.776 4.819 -25.162 338 2HE MET 43 2HE MET 43 0.669 5.771 -25.495 339 3HE MET 43 3HE MET 43 -0.803 6.049 -26.426 340 H VAL 44 H VAL 44 4.031 8.659 -23.147 341 HA VAL 44 HA VAL 44 5.655 7.522 -21.077 342 HB VAL 44 HB VAL 44 6.343 9.449 -23.305 343 1HG1 VAL 44 1HG1 VAL 44 7.844 9.862 -21.425 344 2HG1 VAL 44 2HG1 VAL 44 8.699 9.064 -22.744 345 3HG1 VAL 44 3HG1 VAL 44 8.210 8.139 -21.324 346 1HG2 VAL 44 1HG2 VAL 44 7.522 7.507 -24.238 347 2HG2 VAL 44 2HG2 VAL 44 5.801 7.181 -24.021 348 3HG2 VAL 44 3HG2 VAL 44 6.973 6.526 -22.879 349 H GLY 45 H GLY 45 4.667 10.817 -21.933 350 1HA GLY 45 1HA GLY 45 6.117 12.196 -19.986 351 2HA GLY 45 2HA GLY 45 4.646 12.775 -20.749 352 H GLU 46 H GLU 46 2.927 10.686 -19.776 353 HA GLU 46 HA GLU 46 2.329 11.807 -17.225 354 1HB GLU 46 1HB GLU 46 0.477 10.188 -17.164 355 2HB GLU 46 2HB GLU 46 0.532 11.060 -18.687 356 1HG GLU 46 1HG GLU 46 1.600 9.128 -19.748 357 2HG GLU 46 2HG GLU 46 1.523 8.258 -18.217 358 H MET 47 H MET 47 3.815 8.806 -18.322 359 HA MET 47 HA MET 47 3.898 7.545 -15.784 360 1HB MET 47 1HB MET 47 5.343 7.111 -18.376 361 2HB MET 47 2HB MET 47 5.849 6.245 -16.928 362 1HG MET 47 1HG MET 47 3.109 6.181 -18.170 363 2HG MET 47 2HG MET 47 4.327 4.908 -18.256 364 1HE MET 47 1HE MET 47 2.612 3.109 -17.354 365 2HE MET 47 2HE MET 47 1.362 4.353 -17.308 366 3HE MET 47 3HE MET 47 1.636 3.325 -15.900 367 H ASN 48 H ASN 48 6.022 9.774 -17.451 368 HA ASN 48 HA ASN 48 8.283 9.596 -15.827 369 1HB ASN 48 1HB ASN 48 7.123 12.088 -17.099 370 2HB ASN 48 2HB ASN 48 8.757 11.937 -16.468 371 1HD2 ASN 48 2HD2 ASN 48 8.942 9.151 -17.502 372 2HD2 ASN 48 1HD2 ASN 48 9.213 9.326 -19.196 373 H LYS 49 H LYS 49 5.366 11.553 -15.456 374 HA LYS 49 HA LYS 49 6.198 12.910 -13.115 375 1HB LYS 49 1HB LYS 49 3.421 12.402 -14.196 376 2HB LYS 49 2HB LYS 49 3.815 13.554 -12.927 377 1HG LYS 49 1HG LYS 49 5.198 14.815 -14.486 378 2HG LYS 49 2HG LYS 49 4.832 13.654 -15.759 379 1HD LYS 49 1HD LYS 49 2.477 14.237 -15.655 380 2HD LYS 49 2HD LYS 49 2.796 15.341 -14.315 381 1HE LYS 49 1HE LYS 49 2.584 16.553 -16.419 382 2HE LYS 49 2HE LYS 49 4.209 16.702 -15.755 383 1HZ LYS 49 1HZ LYS 49 3.409 14.830 -17.925 384 2HZ LYS 49 2HZ LYS 49 4.976 15.021 -17.300 385 3HZ LYS 49 3HZ LYS 49 4.238 16.291 -18.143 386 H LEU 50 H LEU 50 4.607 9.851 -13.661 387 HA LEU 50 HA LEU 50 3.675 9.508 -10.984 388 1HB LEU 50 1HB LEU 50 4.141 7.503 -13.191 389 2HB LEU 50 2HB LEU 50 3.359 7.134 -11.665 390 HG LEU 50 HG LEU 50 2.332 9.082 -13.731 391 1HD1 LEU 50 1HD1 LEU 50 2.162 6.781 -14.484 392 2HD1 LEU 50 2HD1 LEU 50 0.567 7.420 -14.083 393 3HD1 LEU 50 3HD1 LEU 50 1.386 6.325 -12.969 394 1HD2 LEU 50 1HD2 LEU 50 0.312 9.138 -12.345 395 2HD2 LEU 50 2HD2 LEU 50 1.718 9.741 -11.470 396 3HD2 LEU 50 3HD2 LEU 50 1.110 8.118 -11.147 397 H LEU 51 H LEU 51 6.707 9.049 -12.548 398 HA LEU 51 HA LEU 51 7.630 7.276 -10.405 399 1HB LEU 51 1HB LEU 51 8.796 7.926 -13.104 400 2HB LEU 51 2HB LEU 51 9.632 6.967 -11.898 401 HG LEU 51 HG LEU 51 6.963 6.231 -13.117 402 1HD1 LEU 51 1HD1 LEU 51 9.739 5.190 -13.688 403 2HD1 LEU 51 2HD1 LEU 51 8.744 6.158 -14.776 404 3HD1 LEU 51 3HD1 LEU 51 8.236 4.530 -14.333 405 1HD2 LEU 51 1HD2 LEU 51 7.394 4.048 -12.086 406 2HD2 LEU 51 2HD2 LEU 51 7.255 5.329 -10.884 407 3HD2 LEU 51 3HD2 LEU 51 8.843 4.701 -11.320 408 H GLU 52 H GLU 52 7.658 10.502 -11.285 409 HA GLU 52 HA GLU 52 10.177 11.383 -10.521 410 1HB GLU 52 1HB GLU 52 7.475 12.693 -10.404 411 2HB GLU 52 2HB GLU 52 8.919 13.525 -9.861 412 1HG GLU 52 1HG GLU 52 9.908 13.129 -12.115 413 2HG GLU 52 2HG GLU 52 8.346 12.486 -12.621 414 HA PRO 53 HA PRO 53 8.707 11.698 -5.947 415 1HB PRO 53 1HB PRO 53 6.323 10.061 -5.650 416 2HB PRO 53 2HB PRO 53 6.564 11.761 -5.244 417 1HG PRO 53 1HG PRO 53 4.970 10.943 -7.283 418 2HG PRO 53 2HG PRO 53 5.838 12.488 -7.295 419 1HD PRO 53 1HD PRO 53 6.541 9.913 -8.652 420 2HD PRO 53 2HD PRO 53 6.640 11.574 -9.266 421 H SER 54 H SER 54 9.444 9.135 -7.754 422 HA SER 54 HA SER 54 9.758 7.373 -5.415 423 1HB SER 54 1HB SER 54 9.595 5.437 -6.857 424 2HB SER 54 2HB SER 54 8.184 6.457 -7.125 425 HG SER 54 HG SER 54 9.657 7.357 -8.908 426 H GLN 55 H GLN 55 11.535 5.564 -6.343 427 HA GLN 55 HA GLN 55 13.932 7.215 -6.762 428 1HB GLN 55 1HB GLN 55 13.675 4.386 -5.721 429 2HB GLN 55 2HB GLN 55 15.175 5.291 -5.857 430 1HG GLN 55 1HG GLN 55 12.873 6.233 -4.180 431 2HG GLN 55 2HG GLN 55 14.116 5.144 -3.567 432 1HE2 GLN 55 2HE2 GLN 55 14.794 6.638 -2.049 433 2HE2 GLN 55 1HE2 GLN 55 15.716 8.039 -2.471 434 H VAL 56 H VAL 56 11.824 5.495 -8.537 435 HA VAL 56 HA VAL 56 13.449 3.721 -10.014 436 HB VAL 56 HB VAL 56 10.881 5.046 -10.908 437 1HG1 VAL 56 1HG1 VAL 56 10.654 3.077 -12.360 438 2HG1 VAL 56 2HG1 VAL 56 12.244 2.525 -11.837 439 3HG1 VAL 56 3HG1 VAL 56 12.088 4.025 -12.748 440 1HG2 VAL 56 1HG2 VAL 56 11.299 2.438 -9.456 441 2HG2 VAL 56 2HG2 VAL 56 9.764 3.025 -10.095 442 3HG2 VAL 56 3HG2 VAL 56 10.564 3.896 -8.787 443 H HIS 57 H HIS 57 15.274 4.622 -10.817 444 HA HIS 57 HA HIS 57 15.175 7.120 -12.270 445 1HB HIS 57 1HB HIS 57 17.264 5.426 -11.098 446 2HB HIS 57 2HB HIS 57 17.714 6.165 -12.624 447 HD1 HIS 57 HD1 HIS 57 19.078 8.185 -12.126 448 HD2 HIS 57 HD2 HIS 57 15.883 7.754 -9.481 449 HE1 HIS 57 HE1 HIS 57 19.172 10.183 -10.608 450 H LEU 58 H LEU 58 13.632 6.032 -13.819 451 HA LEU 58 HA LEU 58 15.188 4.801 -15.995 452 1HB LEU 58 1HB LEU 58 12.267 4.446 -15.337 453 2HB LEU 58 2HB LEU 58 13.043 3.829 -16.784 454 HG LEU 58 HG LEU 58 13.640 2.988 -13.944 455 1HD1 LEU 58 1HD1 LEU 58 11.530 2.118 -14.790 456 2HD1 LEU 58 2HD1 LEU 58 12.731 0.834 -14.657 457 3HD1 LEU 58 3HD1 LEU 58 12.345 1.517 -16.235 458 1HD2 LEU 58 1HD2 LEU 58 14.816 2.004 -16.539 459 2HD2 LEU 58 2HD2 LEU 58 15.118 1.326 -14.939 460 3HD2 LEU 58 3HD2 LEU 58 15.655 2.963 -15.316 461 H LYS 59 H LYS 59 15.436 6.046 -17.703 462 HA LYS 59 HA LYS 59 13.493 8.212 -18.141 463 1HB LYS 59 1HB LYS 59 16.404 7.998 -18.935 464 2HB LYS 59 2HB LYS 59 15.339 9.307 -19.441 465 1HG LYS 59 1HG LYS 59 15.028 9.999 -17.151 466 2HG LYS 59 2HG LYS 59 15.963 8.621 -16.574 467 1HD LYS 59 1HD LYS 59 17.057 10.817 -18.332 468 2HD LYS 59 2HD LYS 59 17.225 10.760 -16.577 469 1HE LYS 59 1HE LYS 59 18.302 8.486 -16.905 470 2HE LYS 59 2HE LYS 59 18.376 8.881 -18.622 471 1HZ LYS 59 1HZ LYS 59 19.638 10.897 -18.016 472 2HZ LYS 59 2HZ LYS 59 20.441 9.466 -17.592 473 3HZ LYS 59 3HZ LYS 59 19.656 10.381 -16.399 474 H PHE 60 H PHE 60 12.448 8.342 -20.067 475 HA PHE 60 HA PHE 60 12.847 6.031 -21.846 476 1HB PHE 60 1HB PHE 60 10.271 7.550 -21.390 477 2HB PHE 60 2HB PHE 60 10.473 6.042 -22.271 478 HD1 PHE 60 HD1 PHE 60 11.093 3.971 -20.999 479 HD2 PHE 60 HD2 PHE 60 9.905 7.579 -19.079 480 HE1 PHE 60 HE1 PHE 60 10.591 2.711 -18.947 481 HE2 PHE 60 HE2 PHE 60 9.403 6.326 -17.023 482 HZ PHE 60 HZ PHE 60 9.747 3.885 -16.956 483 H GLU 61 H GLU 61 13.228 6.404 -23.955 484 HA GLU 61 HA GLU 61 12.637 9.103 -24.992 485 1HB GLU 61 1HB GLU 61 14.976 7.310 -25.421 486 2HB GLU 61 2HB GLU 61 14.434 8.292 -26.773 487 1HG GLU 61 1HG GLU 61 14.580 10.260 -25.110 488 2HG GLU 61 2HG GLU 61 15.567 9.156 -24.148 489 H LEU 62 H LEU 62 11.397 9.267 -26.747 490 HA LEU 62 HA LEU 62 10.481 6.812 -28.032 491 1HB LEU 62 1HB LEU 62 8.758 8.404 -27.420 492 2HB LEU 62 2HB LEU 62 9.575 9.684 -28.298 493 HG LEU 62 HG LEU 62 9.157 8.471 -30.416 494 1HD1 LEU 62 1HD1 LEU 62 9.032 6.207 -29.540 495 2HD1 LEU 62 2HD1 LEU 62 7.569 6.610 -30.437 496 3HD1 LEU 62 3HD1 LEU 62 7.549 6.605 -28.674 497 1HD2 LEU 62 1HD2 LEU 62 6.752 8.934 -30.516 498 2HD2 LEU 62 2HD2 LEU 62 7.631 10.219 -29.688 499 3HD2 LEU 62 3HD2 LEU 62 6.704 9.045 -28.755 500 H HIS 63 H HIS 63 12.006 6.123 -29.442 501 HA HIS 63 HA HIS 63 13.098 8.121 -31.294 502 1HB HIS 63 1HB HIS 63 14.199 5.563 -30.226 503 2HB HIS 63 2HB HIS 63 14.679 6.069 -31.844 504 HD1 HIS 63 HD1 HIS 63 16.311 8.020 -32.040 505 HD2 HIS 63 HD2 HIS 63 15.056 7.297 -28.141 506 HE1 HIS 63 HE1 HIS 63 17.790 9.429 -30.579 507 H ASP 64 H ASP 64 11.935 8.282 -33.026 508 HA ASP 64 HA ASP 64 10.426 6.194 -34.199 509 1HB ASP 64 1HB ASP 64 10.284 7.790 -36.154 510 2HB ASP 64 2HB ASP 64 9.735 8.445 -34.616 511 H LYS 65 H LYS 65 11.034 4.634 -35.481 512 HA LYS 65 HA LYS 65 13.737 4.710 -36.641 513 1HB LYS 65 1HB LYS 65 14.032 3.311 -34.812 514 2HB LYS 65 2HB LYS 65 12.398 2.680 -34.896 515 1HG LYS 65 1HG LYS 65 13.083 1.458 -36.973 516 2HG LYS 65 2HG LYS 65 14.745 1.938 -36.623 517 1HD LYS 65 1HD LYS 65 14.721 0.773 -34.544 518 2HD LYS 65 2HD LYS 65 12.980 0.515 -34.644 519 1HE LYS 65 1HE LYS 65 13.532 -0.785 -36.802 520 2HE LYS 65 2HE LYS 65 15.179 -0.819 -36.170 521 1HZ LYS 65 1HZ LYS 65 14.290 -1.828 -34.124 522 2HZ LYS 65 2HZ LYS 65 14.020 -2.790 -35.488 523 3HZ LYS 65 3HZ LYS 65 12.747 -1.880 -34.828 524 H LEU 66 H LEU 66 13.129 5.078 -38.721 525 HA LEU 66 HA LEU 66 12.575 4.531 -40.846 526 1HB LEU 66 1HB LEU 66 12.329 1.828 -39.563 527 2HB LEU 66 2HB LEU 66 11.923 2.065 -41.245 528 HG LEU 66 HG LEU 66 14.250 2.905 -41.630 529 1HD1 LEU 66 1HD1 LEU 66 14.714 1.876 -38.835 530 2HD1 LEU 66 2HD1 LEU 66 14.810 3.558 -39.352 531 3HD1 LEU 66 3HD1 LEU 66 15.964 2.378 -39.972 532 1HD2 LEU 66 1HD2 LEU 66 13.954 0.110 -40.544 533 2HD2 LEU 66 2HD2 LEU 66 15.273 0.679 -41.570 534 3HD2 LEU 66 3HD2 LEU 66 13.623 0.635 -42.195 535 H ASN 67 H ASN 67 10.316 2.332 -39.265 536 HA ASN 67 HA ASN 67 8.084 4.050 -40.101 537 1HB ASN 67 1HB ASN 67 8.306 2.318 -41.787 538 2HB ASN 67 2HB ASN 67 8.352 1.069 -40.551 539 1HD2 ASN 67 2HD2 ASN 67 6.470 0.329 -39.679 540 2HD2 ASN 67 1HD2 ASN 67 4.908 0.786 -40.256 541 H GLU 68 H GLU 68 9.587 2.256 -37.687 542 HA GLU 68 HA GLU 68 7.088 1.951 -36.162 543 1HB GLU 68 1HB GLU 68 8.276 0.215 -34.871 544 2HB GLU 68 2HB GLU 68 8.192 -0.188 -36.582 545 1HG GLU 68 1HG GLU 68 10.501 0.692 -36.838 546 2HG GLU 68 2HG GLU 68 10.565 0.909 -35.091 547 H TYR 69 H TYR 69 7.042 2.699 -34.037 548 HA TYR 69 HA TYR 69 9.473 3.973 -33.035 549 1HB TYR 69 1HB TYR 69 7.660 5.657 -31.973 550 2HB TYR 69 2HB TYR 69 8.520 5.975 -33.471 551 HD1 TYR 69 HD1 TYR 69 7.278 6.742 -35.221 552 HD2 TYR 69 HD2 TYR 69 5.385 4.209 -32.377 553 HE1 TYR 69 HE1 TYR 69 5.146 7.019 -36.407 554 HE2 TYR 69 HE2 TYR 69 3.244 4.481 -33.559 555 HH TYR 69 HH TYR 69 3.052 6.012 -36.676 556 H TYR 70 H TYR 70 10.002 3.224 -31.138 557 HA TYR 70 HA TYR 70 7.883 2.179 -29.396 558 1HB TYR 70 1HB TYR 70 9.583 0.455 -28.641 559 2HB TYR 70 2HB TYR 70 8.925 0.232 -30.254 560 HD1 TYR 70 HD1 TYR 70 11.890 1.553 -28.434 561 HD2 TYR 70 HD2 TYR 70 10.343 0.026 -32.092 562 HE1 TYR 70 HE1 TYR 70 14.170 1.436 -29.346 563 HE2 TYR 70 HE2 TYR 70 12.615 -0.092 -33.008 564 HH TYR 70 HH TYR 70 15.381 0.160 -31.132 565 H VAL 71 H VAL 71 8.772 1.857 -27.101 566 HA VAL 71 HA VAL 71 10.023 4.399 -26.375 567 HB VAL 71 HB VAL 71 8.530 2.431 -24.630 568 1HG1 VAL 71 1HG1 VAL 71 8.512 4.239 -22.980 569 2HG1 VAL 71 2HG1 VAL 71 9.479 5.239 -24.064 570 3HG1 VAL 71 3HG1 VAL 71 10.161 3.761 -23.385 571 1HG2 VAL 71 1HG2 VAL 71 6.719 4.081 -24.684 572 2HG2 VAL 71 2HG2 VAL 71 7.080 3.464 -26.297 573 3HG2 VAL 71 3HG2 VAL 71 7.651 5.062 -25.817 574 H LYS 72 H LYS 72 12.067 4.445 -25.844 575 HA LYS 72 HA LYS 72 13.511 2.000 -25.196 576 1HB LYS 72 1HB LYS 72 14.489 4.830 -25.518 577 2HB LYS 72 2HB LYS 72 15.496 3.398 -25.359 578 1HG LYS 72 1HG LYS 72 14.523 2.530 -27.459 579 2HG LYS 72 2HG LYS 72 13.630 4.045 -27.630 580 1HD LYS 72 1HD LYS 72 15.633 4.182 -28.938 581 2HD LYS 72 2HD LYS 72 15.786 5.261 -27.552 582 1HE LYS 72 1HE LYS 72 17.817 4.228 -27.475 583 2HE LYS 72 2HE LYS 72 16.890 3.155 -26.447 584 1HZ LYS 72 1HZ LYS 72 18.301 2.027 -28.129 585 2HZ LYS 72 2HZ LYS 72 17.307 2.677 -29.339 586 3HZ LYS 72 3HZ LYS 72 16.658 1.595 -28.204 587 H VAL 73 H VAL 73 13.688 1.369 -23.138 588 HA VAL 73 HA VAL 73 13.387 3.339 -20.999 589 HB VAL 73 HB VAL 73 13.700 0.337 -20.795 590 1HG1 VAL 73 1HG1 VAL 73 14.360 1.503 -18.763 591 2HG1 VAL 73 2HG1 VAL 73 12.845 0.632 -18.512 592 3HG1 VAL 73 3HG1 VAL 73 12.831 2.380 -18.754 593 1HG2 VAL 73 1HG2 VAL 73 11.208 2.029 -20.714 594 2HG2 VAL 73 2HG2 VAL 73 11.281 0.295 -20.398 595 3HG2 VAL 73 3HG2 VAL 73 11.672 0.917 -22.001 596 H ILE 74 H ILE 74 15.162 4.361 -20.373 597 HA ILE 74 HA ILE 74 17.727 2.915 -20.450 598 HB ILE 74 HB ILE 74 17.242 5.903 -20.405 599 1HG1 ILE 74 1HG1 ILE 74 18.179 4.115 -22.659 600 2HG1 ILE 74 2HG1 ILE 74 16.574 4.826 -22.537 601 1HG2 ILE 74 1HG2 ILE 74 19.792 4.323 -20.728 602 2HG2 ILE 74 2HG2 ILE 74 19.332 5.286 -19.325 603 3HG2 ILE 74 3HG2 ILE 74 19.648 6.075 -20.871 604 1HD1 ILE 74 1HD1 ILE 74 19.162 6.332 -22.822 605 2HD1 ILE 74 2HD1 ILE 74 17.559 7.053 -22.695 606 3HD1 ILE 74 3HD1 ILE 74 17.969 6.054 -24.090 607 H GLU 75 H GLU 75 18.264 2.142 -18.514 608 HA GLU 75 HA GLU 75 17.265 3.295 -16.071 609 1HB GLU 75 1HB GLU 75 17.675 0.843 -16.368 610 2HB GLU 75 2HB GLU 75 19.402 1.181 -16.447 611 1HG GLU 75 1HG GLU 75 19.193 2.212 -14.166 612 2HG GLU 75 2HG GLU 75 17.551 1.570 -14.112 613 H ASP 76 H ASP 76 18.202 4.920 -14.988 614 HA ASP 76 HA ASP 76 20.541 6.146 -16.088 615 1HB ASP 76 1HB ASP 76 18.661 7.442 -15.138 616 2HB ASP 76 2HB ASP 76 19.054 6.810 -13.546 617 H SER 77 H SER 77 20.095 3.713 -13.774 618 HA SER 77 HA SER 77 22.369 4.306 -12.136 619 1HB SER 77 1HB SER 77 20.406 2.952 -11.362 620 2HB SER 77 2HB SER 77 20.918 1.665 -12.453 621 HG SER 77 HG SER 77 22.508 2.750 -10.352 622 H THR 78 H THR 78 21.700 2.039 -14.786 623 HA THR 78 HA THR 78 24.520 1.328 -14.965 624 HB THR 78 HB THR 78 23.532 -0.075 -16.950 625 HG1 THR 78 HG1 THR 78 21.163 -0.007 -15.450 626 1HG2 THR 78 1HG2 THR 78 22.841 -0.694 -14.075 627 2HG2 THR 78 2HG2 THR 78 24.382 -1.033 -14.863 628 3HG2 THR 78 3HG2 THR 78 22.918 -1.862 -15.393 629 H ASN 79 H ASN 79 22.202 3.389 -16.421 630 HA ASN 79 HA ASN 79 22.230 4.910 -18.074 631 1HB ASN 79 1HB ASN 79 25.182 4.518 -17.703 632 2HB ASN 79 2HB ASN 79 24.580 5.525 -19.017 633 1HD2 ASN 79 2HD2 ASN 79 22.275 6.492 -17.557 634 2HD2 ASN 79 1HD2 ASN 79 22.861 7.600 -16.368 635 H GLU 80 H GLU 80 21.981 2.051 -18.588 636 HA GLU 80 HA GLU 80 22.638 2.098 -21.460 637 1HB GLU 80 1HB GLU 80 22.706 -0.333 -21.424 638 2HB GLU 80 2HB GLU 80 23.844 0.309 -20.248 639 1HG GLU 80 1HG GLU 80 22.341 -0.195 -18.439 640 2HG GLU 80 2HG GLU 80 21.084 -0.684 -19.573 641 H VAL 81 H VAL 81 21.063 0.875 -22.804 642 HA VAL 81 HA VAL 81 18.341 1.404 -21.953 643 HB VAL 81 HB VAL 81 19.286 0.114 -24.523 644 1HG1 VAL 81 1HG1 VAL 81 16.667 1.423 -23.801 645 2HG1 VAL 81 2HG1 VAL 81 16.941 -0.305 -24.022 646 3HG1 VAL 81 3HG1 VAL 81 17.098 0.796 -25.391 647 1HG2 VAL 81 1HG2 VAL 81 18.666 3.015 -23.966 648 2HG2 VAL 81 2HG2 VAL 81 19.039 2.323 -25.547 649 3HG2 VAL 81 3HG2 VAL 81 20.264 2.338 -24.279 650 H ILE 82 H ILE 82 17.498 -0.019 -20.570 651 HA ILE 82 HA ILE 82 18.469 -2.749 -20.537 652 HB ILE 82 HB ILE 82 17.043 -3.012 -18.517 653 1HG1 ILE 82 1HG1 ILE 82 16.542 -0.047 -18.843 654 2HG1 ILE 82 2HG1 ILE 82 15.348 -1.298 -19.175 655 1HG2 ILE 82 1HG2 ILE 82 18.947 -0.677 -18.510 656 2HG2 ILE 82 2HG2 ILE 82 19.372 -2.377 -18.312 657 3HG2 ILE 82 3HG2 ILE 82 18.406 -1.560 -17.082 658 1HD1 ILE 82 1HD1 ILE 82 16.630 -0.752 -16.509 659 2HD1 ILE 82 2HD1 ILE 82 15.410 -1.982 -16.840 660 3HD1 ILE 82 3HD1 ILE 82 15.006 -0.273 -16.999 661 H ARG 83 H ARG 83 15.718 -1.057 -21.747 662 HA ARG 83 HA ARG 83 14.682 -3.519 -22.829 663 1HB ARG 83 1HB ARG 83 13.710 -3.075 -20.409 664 2HB ARG 83 2HB ARG 83 12.669 -1.954 -21.278 665 1HG ARG 83 1HG ARG 83 11.497 -4.006 -21.126 666 2HG ARG 83 2HG ARG 83 12.055 -3.856 -22.797 667 1HD ARG 83 1HD ARG 83 14.078 -5.213 -22.076 668 2HD ARG 83 2HD ARG 83 13.191 -5.562 -20.597 669 HE ARG 83 HE ARG 83 11.864 -6.184 -23.113 670 1HH1 ARG 83 1HH1 ARG 83 13.672 -7.332 -20.342 671 2HH1 ARG 83 2HH1 ARG 83 13.234 -8.998 -20.591 672 1HH2 ARG 83 1HH2 ARG 83 11.304 -8.363 -23.456 673 2HH2 ARG 83 2HH2 ARG 83 11.905 -9.591 -22.381 674 H GLU 84 H GLU 84 13.600 -3.204 -24.690 675 HA GLU 84 HA GLU 84 12.667 -0.475 -25.311 676 1HB GLU 84 1HB GLU 84 13.817 -2.499 -27.251 677 2HB GLU 84 2HB GLU 84 13.197 -0.909 -27.677 678 1HG GLU 84 1HG GLU 84 14.954 0.149 -26.376 679 2HG GLU 84 2HG GLU 84 15.560 -1.431 -25.890 680 H ILE 85 H ILE 85 10.516 -0.583 -25.093 681 HA ILE 85 HA ILE 85 9.124 -3.091 -25.564 682 HB ILE 85 HB ILE 85 8.166 -0.455 -24.441 683 1HG1 ILE 85 1HG1 ILE 85 7.737 -1.992 -22.420 684 2HG1 ILE 85 2HG1 ILE 85 8.772 -3.154 -23.243 685 1HG2 ILE 85 1HG2 ILE 85 6.032 -1.561 -23.968 686 2HG2 ILE 85 2HG2 ILE 85 6.588 -2.993 -24.835 687 3HG2 ILE 85 3HG2 ILE 85 6.352 -1.474 -25.700 688 1HD1 ILE 85 1HD1 ILE 85 9.564 -0.384 -22.379 689 2HD1 ILE 85 2HD1 ILE 85 10.605 -1.547 -23.202 690 3HD1 ILE 85 3HD1 ILE 85 10.003 -1.893 -21.582 691 HA PRO 86 HA PRO 86 8.103 -1.864 -29.741 692 1HB PRO 86 1HB PRO 86 6.372 -3.955 -30.177 693 2HB PRO 86 2HB PRO 86 8.127 -4.070 -30.344 694 1HG PRO 86 1HG PRO 86 6.383 -4.883 -28.057 695 2HG PRO 86 2HG PRO 86 7.779 -5.727 -28.754 696 1HD PRO 86 1HD PRO 86 7.962 -4.312 -26.472 697 2HD PRO 86 2HD PRO 86 9.301 -4.384 -27.637 698 HA PRO 87 HA PRO 87 4.575 0.635 -29.085 699 1HB PRO 87 1HB PRO 87 3.526 0.636 -31.652 700 2HB PRO 87 2HB PRO 87 4.835 1.680 -31.088 701 1HG PRO 87 1HG PRO 87 4.976 -0.889 -32.611 702 2HG PRO 87 2HG PRO 87 5.942 0.584 -32.809 703 1HD PRO 87 1HD PRO 87 6.934 -1.561 -31.568 704 2HD PRO 87 2HD PRO 87 7.305 0.079 -30.996 705 H LYS 88 H LYS 88 4.099 -2.438 -30.736 706 HA LYS 88 HA LYS 88 1.240 -2.355 -30.365 707 1HB LYS 88 1HB LYS 88 1.247 -4.561 -31.448 708 2HB LYS 88 2HB LYS 88 2.116 -3.357 -32.387 709 1HG LYS 88 1HG LYS 88 4.235 -4.255 -31.421 710 2HG LYS 88 2HG LYS 88 3.285 -5.560 -30.711 711 1HD LYS 88 1HD LYS 88 3.301 -4.927 -33.658 712 2HD LYS 88 2HD LYS 88 4.404 -6.083 -32.914 713 1HE LYS 88 1HE LYS 88 2.589 -7.320 -33.831 714 2HE LYS 88 2HE LYS 88 2.387 -7.326 -32.083 715 1HZ LYS 88 1HZ LYS 88 1.017 -5.242 -33.629 716 2HZ LYS 88 2HZ LYS 88 0.532 -6.029 -32.200 717 3HZ LYS 88 3HZ LYS 88 0.405 -6.819 -33.695 718 H ARG 89 H ARG 89 3.736 -2.997 -28.325 719 HA ARG 89 HA ARG 89 1.935 -4.571 -26.610 720 1HB ARG 89 1HB ARG 89 4.868 -4.896 -27.067 721 2HB ARG 89 2HB ARG 89 4.235 -5.199 -25.455 722 1HG ARG 89 1HG ARG 89 2.543 -6.738 -26.678 723 2HG ARG 89 2HG ARG 89 3.715 -6.673 -27.999 724 1HD ARG 89 1HD ARG 89 5.461 -7.479 -26.524 725 2HD ARG 89 2HD ARG 89 4.348 -7.463 -25.159 726 HE ARG 89 HE ARG 89 4.554 -9.461 -27.236 727 1HH1 ARG 89 1HH1 ARG 89 2.436 -8.055 -24.821 728 2HH1 ARG 89 2HH1 ARG 89 1.561 -9.521 -24.540 729 1HH2 ARG 89 1HH2 ARG 89 3.423 -11.416 -26.844 730 2HH2 ARG 89 2HH2 ARG 89 2.140 -11.448 -25.675 731 H TRP 90 H TRP 90 2.822 -1.624 -27.123 732 HA TRP 90 HA TRP 90 3.935 -0.744 -24.661 733 1HB TRP 90 1HB TRP 90 4.143 0.628 -26.654 734 2HB TRP 90 2HB TRP 90 2.394 0.740 -26.803 735 HD1 TRP 90 HD1 TRP 90 1.538 3.032 -26.078 736 HE1 TRP 90 HE1 TRP 90 2.214 4.792 -24.327 737 HE3 TRP 90 HE3 TRP 90 5.562 0.634 -23.999 738 HZ2 TRP 90 HZ2 TRP 90 4.169 5.119 -22.328 739 HZ3 TRP 90 HZ3 TRP 90 6.773 1.743 -22.165 740 HH2 TRP 90 HH2 TRP 90 6.087 3.943 -21.352 741 H LEU 91 H LEU 91 0.668 -1.200 -25.871 742 HA LEU 91 HA LEU 91 -0.661 0.059 -23.709 743 1HB LEU 91 1HB LEU 91 -1.628 -2.090 -25.596 744 2HB LEU 91 2HB LEU 91 -2.651 -1.189 -24.494 745 HG LEU 91 HG LEU 91 -1.096 -0.018 -26.806 746 1HD1 LEU 91 1HD1 LEU 91 -4.062 -0.434 -26.440 747 2HD1 LEU 91 2HD1 LEU 91 -3.014 -1.382 -27.494 748 3HD1 LEU 91 3HD1 LEU 91 -3.277 0.331 -27.821 749 1HD2 LEU 91 1HD2 LEU 91 -2.263 2.055 -26.302 750 2HD2 LEU 91 2HD2 LEU 91 -1.309 1.535 -24.913 751 3HD2 LEU 91 3HD2 LEU 91 -3.055 1.293 -24.922 752 H ASP 92 H ASP 92 0.386 -3.245 -24.336 753 HA ASP 92 HA ASP 92 -0.733 -4.521 -22.117 754 1HB ASP 92 1HB ASP 92 1.962 -5.099 -23.382 755 2HB ASP 92 2HB ASP 92 0.999 -6.219 -22.428 756 H PHE 93 H PHE 93 2.464 -3.031 -22.508 757 HA PHE 93 HA PHE 93 3.312 -3.434 -19.850 758 1HB PHE 93 1HB PHE 93 4.894 -2.973 -21.657 759 2HB PHE 93 2HB PHE 93 4.200 -1.370 -21.876 760 HD1 PHE 93 HD1 PHE 93 5.027 0.446 -20.692 761 HD2 PHE 93 HD2 PHE 93 5.975 -3.496 -19.403 762 HE1 PHE 93 HE1 PHE 93 6.617 1.371 -19.060 763 HE2 PHE 93 HE2 PHE 93 7.564 -2.578 -17.763 764 HZ PHE 93 HZ PHE 93 7.884 -0.140 -17.592 765 H TYR 94 H TYR 94 1.780 -0.685 -21.469 766 HA TYR 94 HA TYR 94 1.874 1.155 -19.383 767 1HB TYR 94 1HB TYR 94 1.211 1.789 -21.641 768 2HB TYR 94 2HB TYR 94 -0.240 0.802 -21.520 769 HD1 TYR 94 HD1 TYR 94 1.421 3.634 -19.716 770 HD2 TYR 94 HD2 TYR 94 -2.223 1.864 -21.020 771 HE1 TYR 94 HE1 TYR 94 0.172 5.568 -18.847 772 HE2 TYR 94 HE2 TYR 94 -3.477 3.790 -20.150 773 HH TYR 94 HH TYR 94 -1.857 6.657 -18.946 774 H ALA 95 H ALA 95 -0.681 -1.198 -20.171 775 HA ALA 95 HA ALA 95 -2.417 -0.525 -18.073 776 1HB ALA 95 1HB ALA 95 -2.065 -3.202 -19.411 777 2HB ALA 95 2HB ALA 95 -3.095 -1.889 -19.982 778 3HB ALA 95 3HB ALA 95 -3.458 -2.693 -18.454 779 H ALA 96 H ALA 96 0.079 -3.057 -18.244 780 HA ALA 96 HA ALA 96 -0.320 -4.133 -15.690 781 1HB ALA 96 1HB ALA 96 1.930 -5.067 -15.925 782 2HB ALA 96 2HB ALA 96 2.233 -3.996 -17.293 783 3HB ALA 96 3HB ALA 96 0.998 -5.249 -17.413 784 H MET 97 H MET 97 1.558 -1.366 -16.758 785 HA MET 97 HA MET 97 2.918 -1.083 -14.238 786 1HB MET 97 1HB MET 97 3.993 -0.486 -16.376 787 2HB MET 97 2HB MET 97 2.809 0.794 -16.599 788 1HG MET 97 1HG MET 97 3.626 1.942 -14.638 789 2HG MET 97 2HG MET 97 4.765 0.633 -14.321 790 1HE MET 97 1HE MET 97 7.077 3.588 -15.433 791 2HE MET 97 2HE MET 97 6.691 2.434 -14.156 792 3HE MET 97 3HE MET 97 5.567 3.739 -14.535 793 H THR 98 H THR 98 0.251 0.594 -15.897 794 HA THR 98 HA THR 98 0.141 2.679 -13.932 795 HB THR 98 HB THR 98 -0.620 2.991 -16.295 796 HG1 THR 98 HG1 THR 98 -1.593 4.611 -15.371 797 1HG2 THR 98 1HG2 THR 98 -1.841 0.884 -16.588 798 2HG2 THR 98 2HG2 THR 98 -2.875 2.273 -16.922 799 3HG2 THR 98 3HG2 THR 98 -3.032 1.405 -15.395 800 H GLU 99 H GLU 99 -1.489 -0.427 -14.286 801 HA GLU 99 HA GLU 99 -3.402 0.112 -12.260 802 1HB GLU 99 1HB GLU 99 -2.310 -2.516 -13.264 803 2HB GLU 99 2HB GLU 99 -3.622 -2.380 -12.099 804 1HG GLU 99 1HG GLU 99 -4.728 -0.886 -13.906 805 2HG GLU 99 2HG GLU 99 -3.583 -1.661 -14.996 806 H PHE 100 H PHE 100 -0.072 -0.868 -12.250 807 HA PHE 100 HA PHE 100 -0.028 -1.492 -9.431 808 1HB PHE 100 1HB PHE 100 1.511 -2.632 -10.963 809 2HB PHE 100 2HB PHE 100 2.241 -1.089 -11.394 810 HD1 PHE 100 HD1 PHE 100 4.197 -0.512 -10.351 811 HD2 PHE 100 HD2 PHE 100 1.495 -3.114 -8.349 812 HE1 PHE 100 HE1 PHE 100 5.801 -0.746 -8.499 813 HE2 PHE 100 HE2 PHE 100 3.091 -3.356 -6.493 814 HZ PHE 100 HZ PHE 100 5.249 -2.169 -6.567 815 H LEU 101 H LEU 101 1.453 1.117 -11.429 816 HA LEU 101 HA LEU 101 2.312 2.604 -9.176 817 1HB LEU 101 1HB LEU 101 2.123 3.143 -12.091 818 2HB LEU 101 2HB LEU 101 2.193 4.535 -11.034 819 HG LEU 101 HG LEU 101 4.402 3.987 -11.838 820 1HD1 LEU 101 1HD1 LEU 101 4.221 4.902 -9.594 821 2HD1 LEU 101 2HD1 LEU 101 5.570 3.773 -9.701 822 3HD1 LEU 101 3HD1 LEU 101 4.064 3.276 -8.930 823 1HD2 LEU 101 1HD2 LEU 101 4.072 1.615 -12.288 824 2HD2 LEU 101 2HD2 LEU 101 3.990 1.291 -10.557 825 3HD2 LEU 101 3HD2 LEU 101 5.492 1.877 -11.274 826 H GLY 102 H GLY 102 -0.709 2.494 -10.903 827 1HA GLY 102 1HA GLY 102 -1.766 4.909 -9.801 828 2HA GLY 102 2HA GLY 102 -2.690 3.651 -10.594 829 H LEU 103 H LEU 103 -0.985 2.064 -8.324 830 HA LEU 103 HA LEU 103 -3.139 2.155 -6.371 831 1HB LEU 103 1HB LEU 103 -0.570 0.568 -6.438 832 2HB LEU 103 2HB LEU 103 -1.764 0.449 -5.161 833 HG LEU 103 HG LEU 103 -2.252 -0.236 -8.060 834 1HD1 LEU 103 1HD1 LEU 103 -0.742 -1.819 -6.984 835 2HD1 LEU 103 2HD1 LEU 103 -2.318 -2.549 -7.287 836 3HD1 LEU 103 3HD1 LEU 103 -1.889 -2.022 -5.658 837 1HD2 LEU 103 1HD2 LEU 103 -4.364 -1.156 -7.251 838 2HD2 LEU 103 2HD2 LEU 103 -4.255 0.572 -6.929 839 3HD2 LEU 103 3HD2 LEU 103 -3.994 -0.584 -5.623 840 H PHE 104 H PHE 104 -0.142 3.648 -6.930 841 HA PHE 104 HA PHE 104 0.251 4.390 -4.125 842 1HB PHE 104 1HB PHE 104 1.980 4.865 -6.565 843 2HB PHE 104 2HB PHE 104 2.401 5.339 -4.925 844 HD1 PHE 104 HD1 PHE 104 3.141 3.714 -3.314 845 HD2 PHE 104 HD2 PHE 104 2.000 2.528 -7.236 846 HE1 PHE 104 HE1 PHE 104 4.198 1.523 -2.955 847 HE2 PHE 104 HE2 PHE 104 3.052 0.330 -6.882 848 HZ PHE 104 HZ PHE 104 4.157 -0.171 -4.735 849 H VAL 105 H VAL 105 -1.781 5.428 -6.230 850 HA VAL 105 HA VAL 105 -1.124 8.128 -6.744 851 HB VAL 105 HB VAL 105 -3.489 8.421 -7.343 852 1HG1 VAL 105 1HG1 VAL 105 -3.571 6.780 -9.156 853 2HG1 VAL 105 2HG1 VAL 105 -2.249 5.898 -8.390 854 3HG1 VAL 105 3HG1 VAL 105 -1.984 7.534 -8.994 855 1HG2 VAL 105 1HG2 VAL 105 -5.051 6.547 -7.221 856 2HG2 VAL 105 2HG2 VAL 105 -4.511 7.036 -5.615 857 3HG2 VAL 105 3HG2 VAL 105 -3.839 5.591 -6.369 858 H ASP 106 H ASP 106 -2.088 10.006 -5.873 859 HA ASP 106 HA ASP 106 -2.405 9.831 -2.977 860 1HB ASP 106 1HB ASP 106 -0.765 11.409 -3.986 861 2HB ASP 106 2HB ASP 106 -2.094 12.258 -4.764 862 H GLU 107 H GLU 107 -4.435 9.383 -5.314 863 HA GLU 107 HA GLU 107 -6.679 9.497 -5.610 864 1HB GLU 107 1HB GLU 107 -6.845 9.219 -3.155 865 2HB GLU 107 2HB GLU 107 -6.766 10.967 -2.968 866 1HG GLU 107 1HG GLU 107 -8.841 11.184 -4.262 867 2HG GLU 107 2HG GLU 107 -8.927 9.429 -4.393 868 H LYS 108 H LYS 108 -5.678 12.594 -4.121 869 HA LYS 108 HA LYS 108 -7.365 14.178 -5.692 870 1HB LYS 108 1HB LYS 108 -6.369 14.812 -3.514 871 2HB LYS 108 2HB LYS 108 -4.789 14.887 -4.282 872 1HG LYS 108 1HG LYS 108 -5.470 16.698 -5.642 873 2HG LYS 108 2HG LYS 108 -7.135 16.558 -5.085 874 1HD LYS 108 1HD LYS 108 -6.412 17.117 -2.808 875 2HD LYS 108 2HD LYS 108 -4.750 17.274 -3.380 876 1HE LYS 108 1HE LYS 108 -5.355 19.134 -4.779 877 2HE LYS 108 2HE LYS 108 -7.063 18.919 -4.393 878 1HZ LYS 108 1HZ LYS 108 -6.046 20.730 -3.125 879 2HZ LYS 108 2HZ LYS 108 -4.945 19.642 -2.431 880 3HZ LYS 108 3HZ LYS 108 -6.602 19.496 -2.105 881 H LYS 109 H LYS 109 -4.489 12.546 -6.412 882 HA LYS 109 HA LYS 109 -3.761 14.321 -8.618 883 1HB LYS 109 1HB LYS 109 -2.392 11.809 -7.634 884 2HB LYS 109 2HB LYS 109 -1.759 12.934 -8.822 885 1HG LYS 109 1HG LYS 109 -2.356 13.717 -5.984 886 2HG LYS 109 2HG LYS 109 -0.794 13.094 -6.508 887 1HD LYS 109 1HD LYS 109 -0.713 14.956 -8.184 888 2HD LYS 109 2HD LYS 109 -2.166 15.617 -7.431 889 1HE LYS 109 1HE LYS 109 -0.998 15.805 -5.302 890 2HE LYS 109 2HE LYS 109 0.447 15.095 -6.015 891 1HZ LYS 109 1HZ LYS 109 -0.795 17.674 -6.819 892 2HZ LYS 109 2HZ LYS 109 0.607 16.999 -7.500 893 3HZ LYS 109 3HZ LYS 109 0.607 17.497 -5.880 894 H LEU 110 H LEU 110 -5.926 11.818 -8.233 895 HA LEU 110 HA LEU 110 -5.062 10.335 -10.576 896 1HB LEU 110 1HB LEU 110 -6.638 8.664 -10.035 897 2HB LEU 110 2HB LEU 110 -5.846 9.136 -8.551 898 HG LEU 110 HG LEU 110 -8.012 10.656 -8.297 899 1HD1 LEU 110 1HD1 LEU 110 -9.003 10.071 -10.439 900 2HD1 LEU 110 2HD1 LEU 110 -10.003 9.478 -9.113 901 3HD1 LEU 110 3HD1 LEU 110 -8.970 8.362 -10.005 902 1HD2 LEU 110 1HD2 LEU 110 -7.942 7.692 -7.757 903 2HD2 LEU 110 2HD2 LEU 110 -9.026 8.855 -6.992 904 3HD2 LEU 110 3HD2 LEU 110 -7.287 8.957 -6.717 905 H GLU 111 H GLU 111 -6.566 13.092 -10.320 906 HA GLU 111 HA GLU 111 -7.626 14.390 -11.819 907 1HB GLU 111 1HB GLU 111 -6.546 12.919 -13.544 908 2HB GLU 111 2HB GLU 111 -8.005 11.937 -13.541 909 1HG GLU 111 1HG GLU 111 -9.307 13.815 -14.281 910 2HG GLU 111 2HG GLU 111 -7.896 14.862 -14.217 911 H HIS 112 H HIS 112 -8.870 11.953 -10.083 912 HA HIS 112 HA HIS 112 -10.807 11.825 -8.921 913 1HB HIS 112 1HB HIS 112 -11.596 14.307 -10.459 914 2HB HIS 112 2HB HIS 112 -12.481 13.637 -9.097 915 HD1 HIS 112 HD1 HIS 112 -12.073 16.004 -7.955 916 HD2 HIS 112 HD2 HIS 112 -8.662 13.703 -8.603 917 HE1 HIS 112 HE1 HIS 112 -10.268 17.060 -6.560 918 H HIS 113 H HIS 113 -13.463 12.291 -9.727 919 HA HIS 113 HA HIS 113 -13.847 10.731 -12.142 920 1HB HIS 113 1HB HIS 113 -15.062 8.929 -11.061 921 2HB HIS 113 2HB HIS 113 -13.456 9.034 -10.355 922 HD1 HIS 113 HD1 HIS 113 -16.790 8.483 -9.348 923 HD2 HIS 113 HD2 HIS 113 -13.671 10.784 -7.823 924 HE1 HIS 113 HE1 HIS 113 -17.393 8.946 -6.945 925 H HIS 114 H HIS 114 -16.033 10.718 -12.865 926 HA HIS 114 HA HIS 114 -17.727 12.709 -11.498 927 1HB HIS 114 1HB HIS 114 -18.607 13.431 -13.581 928 2HB HIS 114 2HB HIS 114 -16.869 13.337 -13.818 929 HD1 HIS 114 HD1 HIS 114 -20.086 11.942 -14.986 930 HD2 HIS 114 HD2 HIS 114 -16.027 11.219 -15.548 931 HE1 HIS 114 HE1 HIS 114 -19.937 10.443 -16.996 932 H HIS 115 H HIS 115 -19.803 12.156 -11.016 933 HA HIS 115 HA HIS 115 -21.068 9.834 -12.117 934 1HB HIS 115 1HB HIS 115 -19.434 8.853 -10.484 935 2HB HIS 115 2HB HIS 115 -20.253 9.738 -9.203 936 HD1 HIS 115 HD1 HIS 115 -20.732 6.876 -11.591 937 HD2 HIS 115 HD2 HIS 115 -22.583 8.572 -8.274 938 HE1 HIS 115 HE1 HIS 115 -22.494 5.227 -10.878 939 H HIS 116 H HIS 116 -23.262 9.791 -11.659 940 HA HIS 116 HA HIS 116 -24.454 12.185 -10.691 941 1HB HIS 116 1HB HIS 116 -25.496 10.674 -12.390 942 2HB HIS 116 2HB HIS 116 -25.745 9.479 -11.125 943 HD1 HIS 116 HD1 HIS 116 -27.505 12.001 -12.884 944 HD2 HIS 116 HD2 HIS 116 -27.449 10.719 -8.924 945 HE1 HIS 116 HE1 HIS 116 -29.642 12.845 -11.859 946 H HIS 117 H HIS 117 -23.963 12.631 -8.595 947 HA HIS 117 HA HIS 117 -24.330 10.562 -6.575 948 1HB HIS 117 1HB HIS 117 -22.321 12.054 -6.505 949 2HB HIS 117 2HB HIS 117 -23.395 13.417 -6.210 950 HD1 HIS 117 HD1 HIS 117 -23.897 13.909 -3.812 951 HD2 HIS 117 HD2 HIS 117 -22.470 10.041 -4.373 952 HE1 HIS 117 HE1 HIS 117 -23.610 12.944 -1.504 Start of MODEL 14 1 HA LEU 1 HA LEU 1 1.962 1.689 -0.529 2 1HB LEU 1 1HB LEU 1 -0.516 3.277 -1.196 3 2HB LEU 1 2HB LEU 1 0.639 2.744 -2.401 4 HG LEU 1 HG LEU 1 -0.799 0.830 -0.565 5 1HD1 LEU 1 1HD1 LEU 1 -2.285 0.359 -2.453 6 2HD1 LEU 1 2HD1 LEU 1 -1.556 1.690 -3.353 7 3HD1 LEU 1 3HD1 LEU 1 -2.462 2.016 -1.875 8 1HD2 LEU 1 1HD2 LEU 1 1.267 0.003 -1.568 9 2HD2 LEU 1 2HD2 LEU 1 0.674 0.445 -3.169 10 3HD2 LEU 1 3HD2 LEU 1 -0.140 -0.818 -2.245 11 H ASN 2 H ASN 2 3.731 2.876 0.237 12 HA ASN 2 HA ASN 2 3.727 5.756 -0.247 13 1HB ASN 2 1HB ASN 2 5.851 5.742 1.041 14 2HB ASN 2 2HB ASN 2 4.503 5.068 1.950 15 1HD2 ASN 2 2HD2 ASN 2 7.621 4.532 0.717 16 2HD2 ASN 2 1HD2 ASN 2 7.786 2.879 1.210 17 H ILE 3 H ILE 3 4.669 6.616 -1.966 18 HA ILE 3 HA ILE 3 5.983 4.817 -3.855 19 HB ILE 3 HB ILE 3 4.132 6.306 -4.595 20 1HG1 ILE 3 1HG1 ILE 3 6.782 6.912 -5.922 21 2HG1 ILE 3 2HG1 ILE 3 5.830 5.456 -6.185 22 1HG2 ILE 3 1HG2 ILE 3 4.630 8.232 -3.183 23 2HG2 ILE 3 2HG2 ILE 3 4.523 8.696 -4.882 24 3HG2 ILE 3 3HG2 ILE 3 6.100 8.534 -4.107 25 1HD1 ILE 3 1HD1 ILE 3 4.958 8.262 -6.834 26 2HD1 ILE 3 2HD1 ILE 3 4.018 6.795 -7.111 27 3HD1 ILE 3 3HD1 ILE 3 5.525 7.057 -7.990 28 H GLU 4 H GLU 4 6.842 7.220 -1.590 29 HA GLU 4 HA GLU 4 8.914 8.573 -2.908 30 1HB GLU 4 1HB GLU 4 8.815 8.045 0.053 31 2HB GLU 4 2HB GLU 4 9.530 9.421 -0.773 32 1HG GLU 4 1HG GLU 4 7.503 10.429 -1.146 33 2HG GLU 4 2HG GLU 4 6.613 8.909 -1.056 34 H ARG 5 H ARG 5 8.841 5.426 -1.510 35 HA ARG 5 HA ARG 5 11.765 5.238 -1.754 36 1HB ARG 5 1HB ARG 5 9.995 4.066 0.389 37 2HB ARG 5 2HB ARG 5 11.638 3.510 0.099 38 1HG ARG 5 1HG ARG 5 12.458 5.793 0.526 39 2HG ARG 5 2HG ARG 5 10.807 6.294 0.891 40 1HD ARG 5 1HD ARG 5 10.718 4.768 2.761 41 2HD ARG 5 2HD ARG 5 12.313 4.132 2.359 42 HE ARG 5 HE ARG 5 12.539 6.897 2.732 43 1HH1 ARG 5 1HH1 ARG 5 11.832 4.029 4.606 44 2HH1 ARG 5 2HH1 ARG 5 12.479 4.680 6.083 45 1HH2 ARG 5 1HH2 ARG 5 13.408 7.756 4.660 46 2HH2 ARG 5 2HH2 ARG 5 13.377 6.794 6.108 47 H LEU 6 H LEU 6 9.355 4.590 -3.445 48 HA LEU 6 HA LEU 6 9.481 1.737 -3.791 49 1HB LEU 6 1HB LEU 6 7.436 2.931 -4.304 50 2HB LEU 6 2HB LEU 6 8.281 3.957 -5.448 51 HG LEU 6 HG LEU 6 8.710 1.966 -6.852 52 1HD1 LEU 6 1HD1 LEU 6 7.463 -0.083 -6.433 53 2HD1 LEU 6 2HD1 LEU 6 6.858 0.587 -4.918 54 3HD1 LEU 6 3HD1 LEU 6 8.581 0.262 -5.114 55 1HD2 LEU 6 1HD2 LEU 6 6.413 1.759 -7.688 56 2HD2 LEU 6 2HD2 LEU 6 6.841 3.435 -7.341 57 3HD2 LEU 6 3HD2 LEU 6 5.819 2.535 -6.219 58 H THR 7 H THR 7 11.130 0.727 -4.788 59 HA THR 7 HA THR 7 12.592 2.209 -6.873 60 HB THR 7 HB THR 7 13.846 2.343 -4.750 61 HG1 THR 7 HG1 THR 7 14.916 0.891 -6.935 62 1HG2 THR 7 1HG2 THR 7 14.049 -0.658 -4.992 63 2HG2 THR 7 2HG2 THR 7 13.132 0.213 -3.765 64 3HG2 THR 7 3HG2 THR 7 14.889 0.346 -3.812 65 H THR 8 H THR 8 10.812 -0.482 -6.277 66 HA THR 8 HA THR 8 12.424 -2.097 -8.132 67 HB THR 8 HB THR 8 12.230 -3.275 -6.048 68 HG1 THR 8 HG1 THR 8 11.890 -5.037 -7.147 69 1HG2 THR 8 1HG2 THR 8 9.234 -2.947 -6.319 70 2HG2 THR 8 2HG2 THR 8 10.267 -2.167 -5.120 71 3HG2 THR 8 3HG2 THR 8 10.057 -3.917 -5.095 72 H LEU 9 H LEU 9 11.625 -2.578 -10.042 73 HA LEU 9 HA LEU 9 8.722 -2.272 -10.460 74 1HB LEU 9 1HB LEU 9 10.994 -1.895 -12.414 75 2HB LEU 9 2HB LEU 9 9.303 -1.930 -12.874 76 HG LEU 9 HG LEU 9 10.640 0.131 -11.120 77 1HD1 LEU 9 1HD1 LEU 9 11.126 0.365 -13.497 78 2HD1 LEU 9 2HD1 LEU 9 10.074 1.663 -12.933 79 3HD1 LEU 9 3HD1 LEU 9 9.403 0.322 -13.860 80 1HD2 LEU 9 1HD2 LEU 9 8.394 -0.288 -10.311 81 2HD2 LEU 9 2HD2 LEU 9 7.752 -0.134 -11.947 82 3HD2 LEU 9 3HD2 LEU 9 8.460 1.267 -11.142 83 H GLN 10 H GLN 10 10.579 -4.548 -9.619 84 HA GLN 10 HA GLN 10 10.697 -6.464 -11.641 85 1HB GLN 10 1HB GLN 10 11.902 -6.650 -9.503 86 2HB GLN 10 2HB GLN 10 10.379 -6.950 -8.678 87 1HG GLN 10 1HG GLN 10 11.557 -9.027 -9.051 88 2HG GLN 10 2HG GLN 10 10.072 -8.989 -10.002 89 1HE2 GLN 10 2HE2 GLN 10 10.203 -8.795 -12.246 90 2HE2 GLN 10 1HE2 GLN 10 11.676 -9.086 -13.114 91 HA PRO 11 HA PRO 11 6.284 -8.005 -10.055 92 1HB PRO 11 1HB PRO 11 5.249 -5.337 -9.241 93 2HB PRO 11 2HB PRO 11 4.914 -6.932 -8.557 94 1HG PRO 11 1HG PRO 11 6.505 -5.232 -7.282 95 2HG PRO 11 2HG PRO 11 6.890 -6.965 -7.334 96 1HD PRO 11 1HD PRO 11 8.075 -4.706 -8.902 97 2HD PRO 11 2HD PRO 11 8.873 -6.120 -8.182 98 H VAL 12 H VAL 12 7.073 -4.909 -11.477 99 HA VAL 12 HA VAL 12 4.799 -4.782 -13.211 100 HB VAL 12 HB VAL 12 7.466 -3.371 -13.451 101 1HG1 VAL 12 1HG1 VAL 12 6.265 -3.412 -15.570 102 2HG1 VAL 12 2HG1 VAL 12 6.276 -1.786 -14.890 103 3HG1 VAL 12 3HG1 VAL 12 4.822 -2.777 -14.779 104 1HG2 VAL 12 1HG2 VAL 12 6.353 -2.837 -11.358 105 2HG2 VAL 12 2HG2 VAL 12 4.872 -2.442 -12.229 106 3HG2 VAL 12 3HG2 VAL 12 6.314 -1.452 -12.451 107 H TRP 13 H TRP 13 8.207 -5.722 -13.601 108 HA TRP 13 HA TRP 13 8.029 -6.566 -16.274 109 1HB TRP 13 1HB TRP 13 9.838 -7.518 -14.050 110 2HB TRP 13 2HB TRP 13 10.032 -7.969 -15.737 111 HD1 TRP 13 HD1 TRP 13 11.528 -5.738 -13.403 112 HE1 TRP 13 HE1 TRP 13 12.596 -3.692 -14.538 113 HE3 TRP 13 HE3 TRP 13 9.241 -6.057 -17.962 114 HZ2 TRP 13 HZ2 TRP 13 12.479 -2.378 -17.040 115 HZ3 TRP 13 HZ3 TRP 13 9.766 -4.363 -19.667 116 HH2 TRP 13 HH2 TRP 13 11.351 -2.561 -19.214 117 H ASP 14 H ASP 14 7.421 -8.211 -13.235 118 HA ASP 14 HA ASP 14 6.982 -10.805 -14.206 119 1HB ASP 14 1HB ASP 14 7.226 -10.352 -11.825 120 2HB ASP 14 2HB ASP 14 5.762 -9.378 -11.831 121 H ARG 15 H ARG 15 4.707 -8.148 -13.602 122 HA ARG 15 HA ARG 15 2.442 -9.531 -14.595 123 1HB ARG 15 1HB ARG 15 2.445 -7.524 -13.059 124 2HB ARG 15 2HB ARG 15 2.814 -6.537 -14.466 125 1HG ARG 15 1HG ARG 15 0.730 -6.913 -15.430 126 2HG ARG 15 2HG ARG 15 0.414 -8.327 -14.423 127 1HD ARG 15 1HD ARG 15 0.343 -6.839 -12.440 128 2HD ARG 15 2HD ARG 15 0.524 -5.454 -13.513 129 HE ARG 15 HE ARG 15 -1.678 -5.696 -14.195 130 1HH1 ARG 15 1HH1 ARG 15 -0.735 -8.451 -12.211 131 2HH1 ARG 15 2HH1 ARG 15 -2.380 -8.943 -11.922 132 1HH2 ARG 15 1HH2 ARG 15 -3.800 -6.324 -13.790 133 2HH2 ARG 15 2HH2 ARG 15 -4.129 -7.738 -12.826 134 H TYR 16 H TYR 16 4.865 -7.460 -16.072 135 HA TYR 16 HA TYR 16 3.709 -7.098 -18.596 136 1HB TYR 16 1HB TYR 16 5.758 -5.946 -17.812 137 2HB TYR 16 2HB TYR 16 6.638 -7.466 -17.913 138 HD1 TYR 16 HD1 TYR 16 7.835 -7.932 -19.843 139 HD2 TYR 16 HD2 TYR 16 4.618 -5.157 -20.039 140 HE1 TYR 16 HE1 TYR 16 8.422 -7.428 -22.179 141 HE2 TYR 16 HE2 TYR 16 5.196 -4.637 -22.370 142 HH TYR 16 HH TYR 16 7.126 -4.759 -23.858 143 H ASP 17 H ASP 17 5.878 -9.680 -17.454 144 HA ASP 17 HA ASP 17 5.838 -11.247 -19.783 145 1HB ASP 17 1HB ASP 17 7.404 -11.650 -17.921 146 2HB ASP 17 2HB ASP 17 6.063 -12.158 -16.900 147 H THR 18 H THR 18 3.700 -11.132 -17.008 148 HA THR 18 HA THR 18 2.111 -13.368 -17.694 149 HB THR 18 HB THR 18 1.386 -10.992 -15.957 150 HG1 THR 18 HG1 THR 18 3.221 -11.872 -15.084 151 1HG2 THR 18 1HG2 THR 18 -0.545 -12.391 -16.515 152 2HG2 THR 18 2HG2 THR 18 -0.104 -12.573 -14.818 153 3HG2 THR 18 3HG2 THR 18 0.332 -13.825 -15.982 154 H GLN 19 H GLN 19 2.047 -10.039 -18.750 155 HA GLN 19 HA GLN 19 -0.560 -10.357 -19.979 156 1HB GLN 19 1HB GLN 19 1.450 -8.130 -20.323 157 2HB GLN 19 2HB GLN 19 -0.212 -8.122 -20.887 158 1HG GLN 19 1HG GLN 19 0.708 -8.157 -18.024 159 2HG GLN 19 2HG GLN 19 0.010 -6.789 -18.888 160 1HE2 GLN 19 2HE2 GLN 19 -2.207 -6.763 -19.316 161 2HE2 GLN 19 1HE2 GLN 19 -3.303 -7.826 -18.504 162 H ILE 20 H ILE 20 2.766 -9.900 -21.009 163 HA ILE 20 HA ILE 20 2.527 -10.066 -23.740 164 HB ILE 20 HB ILE 20 4.694 -10.910 -21.848 165 1HG1 ILE 20 1HG1 ILE 20 4.267 -8.529 -22.014 166 2HG1 ILE 20 2HG1 ILE 20 5.815 -8.906 -22.763 167 1HG2 ILE 20 1HG2 ILE 20 4.910 -10.875 -24.861 168 2HG2 ILE 20 2HG2 ILE 20 4.922 -12.320 -23.850 169 3HG2 ILE 20 3HG2 ILE 20 6.235 -11.148 -23.731 170 1HD1 ILE 20 1HD1 ILE 20 4.752 -8.814 -24.954 171 2HD1 ILE 20 2HD1 ILE 20 4.598 -7.295 -24.070 172 3HD1 ILE 20 3HD1 ILE 20 3.220 -8.392 -24.189 173 H HIS 21 H HIS 21 2.948 -12.769 -21.451 174 HA HIS 21 HA HIS 21 3.135 -14.720 -23.540 175 1HB HIS 21 1HB HIS 21 3.547 -16.276 -21.861 176 2HB HIS 21 2HB HIS 21 4.107 -14.793 -21.120 177 HD1 HIS 21 HD1 HIS 21 2.675 -17.650 -20.006 178 HD2 HIS 21 HD2 HIS 21 1.371 -13.702 -19.787 179 HE1 HIS 21 HE1 HIS 21 1.073 -17.569 -18.070 180 H ASN 22 H ASN 22 0.536 -13.050 -22.412 181 HA ASN 22 HA ASN 22 -1.327 -15.312 -22.740 182 1HB ASN 22 1HB ASN 22 -1.349 -14.217 -20.510 183 2HB ASN 22 2HB ASN 22 -1.753 -12.692 -21.280 184 1HD2 ASN 22 2HD2 ASN 22 -3.073 -15.833 -22.188 185 2HD2 ASN 22 1HD2 ASN 22 -4.692 -15.482 -21.700 186 H GLN 23 H GLN 23 -0.172 -12.497 -24.174 187 HA GLN 23 HA GLN 23 -0.898 -10.994 -25.703 188 1HB GLN 23 1HB GLN 23 -2.626 -13.343 -26.483 189 2HB GLN 23 2HB GLN 23 -2.650 -11.823 -27.362 190 1HG GLN 23 1HG GLN 23 -1.202 -13.187 -28.573 191 2HG GLN 23 2HG GLN 23 -0.148 -12.121 -27.651 192 1HE2 GLN 23 2HE2 GLN 23 -1.843 -14.850 -26.272 193 2HE2 GLN 23 1HE2 GLN 23 -0.443 -15.821 -25.982 194 H LYS 24 H LYS 24 -1.634 -9.663 -24.027 195 HA LYS 24 HA LYS 24 -4.446 -9.933 -23.283 196 1HB LYS 24 1HB LYS 24 -2.023 -8.985 -21.929 197 2HB LYS 24 2HB LYS 24 -3.449 -7.998 -21.639 198 1HG LYS 24 1HG LYS 24 -3.378 -10.982 -21.256 199 2HG LYS 24 2HG LYS 24 -3.070 -9.810 -19.969 200 1HD LYS 24 1HD LYS 24 -5.279 -8.867 -20.251 201 2HD LYS 24 2HD LYS 24 -5.591 -9.933 -21.620 202 1HE LYS 24 1HE LYS 24 -6.662 -10.724 -19.556 203 2HE LYS 24 2HE LYS 24 -5.478 -11.873 -20.181 204 1HZ LYS 24 1HZ LYS 24 -4.976 -9.944 -17.972 205 2HZ LYS 24 2HZ LYS 24 -3.907 -11.132 -18.533 206 3HZ LYS 24 3HZ LYS 24 -5.342 -11.586 -17.766 207 H ASP 25 H ASP 25 -5.869 -8.297 -23.319 208 HA ASP 25 HA ASP 25 -5.036 -5.659 -24.255 209 1HB ASP 25 1HB ASP 25 -5.948 -6.892 -26.232 210 2HB ASP 25 2HB ASP 25 -7.457 -7.115 -25.357 211 H ASN 26 H ASN 26 -5.414 -4.603 -22.420 212 HA ASN 26 HA ASN 26 -7.472 -5.449 -20.598 213 1HB ASN 26 1HB ASN 26 -5.408 -3.255 -20.472 214 2HB ASN 26 2HB ASN 26 -6.622 -3.490 -19.219 215 1HD2 ASN 26 2HD2 ASN 26 -6.450 -5.212 -17.821 216 2HD2 ASN 26 1HD2 ASN 26 -5.042 -6.218 -17.748 217 H ASP 27 H ASP 27 -9.412 -4.617 -20.300 218 HA ASP 27 HA ASP 27 -10.322 -2.518 -22.074 219 1HB ASP 27 1HB ASP 27 -11.859 -4.012 -19.937 220 2HB ASP 27 2HB ASP 27 -12.547 -2.980 -21.185 221 H ASN 28 H ASN 28 -9.350 -0.657 -21.369 222 HA ASN 28 HA ASN 28 -9.399 0.175 -18.630 223 1HB ASN 28 1HB ASN 28 -8.813 1.718 -21.171 224 2HB ASN 28 2HB ASN 28 -8.624 2.372 -19.547 225 1HD2 ASN 28 2HD2 ASN 28 -7.318 0.216 -21.939 226 2HD2 ASN 28 1HD2 ASN 28 -5.824 -0.099 -21.125 227 H GLU 29 H GLU 29 -10.566 2.054 -17.814 228 HA GLU 29 HA GLU 29 -13.291 2.106 -18.792 229 1HB GLU 29 1HB GLU 29 -11.983 3.504 -16.458 230 2HB GLU 29 2HB GLU 29 -13.699 3.606 -16.834 231 1HG GLU 29 1HG GLU 29 -13.890 1.182 -16.567 232 2HG GLU 29 2HG GLU 29 -12.181 1.101 -16.144 233 H VAL 30 H VAL 30 -10.692 3.459 -19.854 234 HA VAL 30 HA VAL 30 -12.117 5.819 -20.875 235 HB VAL 30 HB VAL 30 -10.220 6.596 -19.596 236 1HG1 VAL 30 1HG1 VAL 30 -8.534 4.723 -21.244 237 2HG1 VAL 30 2HG1 VAL 30 -8.901 4.572 -19.526 238 3HG1 VAL 30 3HG1 VAL 30 -7.916 5.917 -20.102 239 1HG2 VAL 30 1HG2 VAL 30 -8.908 7.771 -21.307 240 2HG2 VAL 30 2HG2 VAL 30 -10.638 7.820 -21.641 241 3HG2 VAL 30 3HG2 VAL 30 -9.598 6.718 -22.543 242 HA PRO 31 HA PRO 31 -12.151 3.488 -24.562 243 1HB PRO 31 1HB PRO 31 -12.428 5.480 -26.419 244 2HB PRO 31 2HB PRO 31 -13.740 4.879 -25.400 245 1HG PRO 31 1HG PRO 31 -12.052 7.319 -25.078 246 2HG PRO 31 2HG PRO 31 -13.789 7.110 -24.786 247 1HD PRO 31 1HD PRO 31 -11.955 7.155 -22.786 248 2HD PRO 31 2HD PRO 31 -13.448 6.203 -22.690 249 H VAL 32 H VAL 32 -9.925 2.882 -24.230 250 HA VAL 32 HA VAL 32 -8.187 3.989 -26.330 251 HB VAL 32 HB VAL 32 -7.337 2.781 -23.694 252 1HG1 VAL 32 1HG1 VAL 32 -5.788 2.223 -25.503 253 2HG1 VAL 32 2HG1 VAL 32 -5.058 3.353 -24.364 254 3HG1 VAL 32 3HG1 VAL 32 -5.655 3.933 -25.918 255 1HG2 VAL 32 1HG2 VAL 32 -8.199 5.029 -23.402 256 2HG2 VAL 32 2HG2 VAL 32 -7.150 5.619 -24.693 257 3HG2 VAL 32 3HG2 VAL 32 -6.449 5.017 -23.191 258 H HIS 33 H HIS 33 -8.236 2.666 -27.922 259 HA HIS 33 HA HIS 33 -7.735 -0.170 -27.489 260 1HB HIS 33 1HB HIS 33 -9.548 -0.720 -29.153 261 2HB HIS 33 2HB HIS 33 -10.113 -0.198 -27.577 262 HD1 HIS 33 HD1 HIS 33 -10.400 0.508 -31.157 263 HD2 HIS 33 HD2 HIS 33 -11.133 2.519 -27.582 264 HE1 HIS 33 HE1 HIS 33 -11.905 2.439 -31.754 265 H GLN 34 H GLN 34 -6.573 2.394 -28.652 266 HA GLN 34 HA GLN 34 -5.200 1.162 -30.817 267 1HB GLN 34 1HB GLN 34 -5.774 2.876 -32.515 268 2HB GLN 34 2HB GLN 34 -7.144 1.870 -32.081 269 1HG GLN 34 1HG GLN 34 -8.085 3.965 -32.170 270 2HG GLN 34 2HG GLN 34 -7.733 3.795 -30.452 271 1HE2 GLN 34 2HE2 GLN 34 -7.709 6.044 -30.175 272 2HE2 GLN 34 1HE2 GLN 34 -6.395 7.013 -30.736 273 H VAL 35 H VAL 35 -3.299 2.343 -31.362 274 HA VAL 35 HA VAL 35 -2.672 4.395 -29.354 275 HB VAL 35 HB VAL 35 -0.766 2.484 -30.720 276 1HG1 VAL 35 1HG1 VAL 35 -0.253 4.548 -28.580 277 2HG1 VAL 35 2HG1 VAL 35 0.274 4.648 -30.260 278 3HG1 VAL 35 3HG1 VAL 35 0.924 3.394 -29.203 279 1HG2 VAL 35 1HG2 VAL 35 -2.137 1.354 -29.073 280 2HG2 VAL 35 2HG2 VAL 35 -1.776 2.602 -27.880 281 3HG2 VAL 35 3HG2 VAL 35 -0.493 1.537 -28.459 282 H SER 36 H SER 36 -2.433 6.354 -30.094 283 HA SER 36 HA SER 36 -1.744 6.763 -32.911 284 1HB SER 36 1HB SER 36 -3.800 7.867 -32.145 285 2HB SER 36 2HB SER 36 -2.901 8.680 -30.866 286 HG SER 36 HG SER 36 -3.353 9.710 -33.125 287 H TYR 37 H TYR 37 -0.269 8.645 -33.343 288 HA TYR 37 HA TYR 37 2.193 8.293 -32.024 289 1HB TYR 37 1HB TYR 37 1.892 9.128 -34.373 290 2HB TYR 37 2HB TYR 37 1.365 10.670 -33.707 291 HD1 TYR 37 HD1 TYR 37 2.947 12.287 -32.998 292 HD2 TYR 37 HD2 TYR 37 4.242 8.342 -33.920 293 HE1 TYR 37 HE1 TYR 37 5.288 13.035 -32.891 294 HE2 TYR 37 HE2 TYR 37 6.586 9.077 -33.814 295 HH TYR 37 HH TYR 37 7.503 12.113 -32.543 296 H THR 38 H THR 38 -0.362 10.699 -31.718 297 HA THR 38 HA THR 38 0.867 12.419 -29.874 298 HB THR 38 HB THR 38 -2.059 11.810 -29.674 299 HG1 THR 38 HG1 THR 38 -2.453 12.937 -31.578 300 1HG2 THR 38 1HG2 THR 38 -0.464 14.378 -29.729 301 2HG2 THR 38 2HG2 THR 38 -1.093 13.577 -28.288 302 3HG2 THR 38 3HG2 THR 38 -2.206 14.252 -29.479 303 H ASN 39 H ASN 39 -0.941 9.432 -29.498 304 HA ASN 39 HA ASN 39 -1.399 9.589 -26.724 305 1HB ASN 39 1HB ASN 39 -2.167 7.895 -28.764 306 2HB ASN 39 2HB ASN 39 -1.123 6.869 -27.787 307 1HD2 ASN 39 2HD2 ASN 39 -3.169 9.512 -26.660 308 2HD2 ASN 39 1HD2 ASN 39 -4.214 8.522 -25.708 309 H LEU 40 H LEU 40 1.203 8.163 -28.629 310 HA LEU 40 HA LEU 40 2.585 6.964 -26.481 311 1HB LEU 40 1HB LEU 40 3.538 7.979 -29.155 312 2HB LEU 40 2HB LEU 40 4.587 7.151 -28.022 313 HG LEU 40 HG LEU 40 2.093 5.959 -29.225 314 1HD1 LEU 40 1HD1 LEU 40 3.579 4.633 -30.601 315 2HD1 LEU 40 2HD1 LEU 40 4.982 5.449 -29.910 316 3HD1 LEU 40 3HD1 LEU 40 3.838 6.351 -30.905 317 1HD2 LEU 40 1HD2 LEU 40 2.669 5.037 -27.033 318 2HD2 LEU 40 2HD2 LEU 40 4.309 4.714 -27.599 319 3HD2 LEU 40 3HD2 LEU 40 2.944 3.860 -28.319 320 H ALA 41 H ALA 41 3.029 10.106 -28.076 321 HA ALA 41 HA ALA 41 5.174 10.992 -26.503 322 1HB ALA 41 1HB ALA 41 4.660 13.209 -27.354 323 2HB ALA 41 2HB ALA 41 3.074 12.654 -27.889 324 3HB ALA 41 3HB ALA 41 4.532 12.009 -28.642 325 H GLU 42 H GLU 42 1.682 11.388 -26.127 326 HA GLU 42 HA GLU 42 1.787 13.032 -23.828 327 1HB GLU 42 1HB GLU 42 -0.346 11.228 -24.962 328 2HB GLU 42 2HB GLU 42 -0.601 12.190 -23.513 329 1HG GLU 42 1HG GLU 42 0.115 13.262 -26.233 330 2HG GLU 42 2HG GLU 42 -1.492 13.278 -25.507 331 H MET 43 H MET 43 1.407 9.530 -24.240 332 HA MET 43 HA MET 43 1.000 8.935 -21.517 333 1HB MET 43 1HB MET 43 0.747 7.480 -23.745 334 2HB MET 43 2HB MET 43 2.346 6.929 -23.260 335 1HG MET 43 1HG MET 43 0.848 5.390 -22.333 336 2HG MET 43 2HG MET 43 1.334 6.431 -20.995 337 1HE MET 43 1HE MET 43 -1.501 5.605 -23.596 338 2HE MET 43 2HE MET 43 -1.141 7.303 -23.913 339 3HE MET 43 3HE MET 43 -2.692 6.850 -23.211 340 H VAL 44 H VAL 44 3.924 8.726 -23.543 341 HA VAL 44 HA VAL 44 5.626 7.788 -21.502 342 HB VAL 44 HB VAL 44 6.315 9.350 -23.998 343 1HG1 VAL 44 1HG1 VAL 44 8.140 9.484 -22.382 344 2HG1 VAL 44 2HG1 VAL 44 8.579 8.452 -23.743 345 3HG1 VAL 44 3HG1 VAL 44 8.120 7.729 -22.202 346 1HG2 VAL 44 1HG2 VAL 44 6.874 7.147 -24.920 347 2HG2 VAL 44 2HG2 VAL 44 5.176 7.258 -24.458 348 3HG2 VAL 44 3HG2 VAL 44 6.313 6.391 -23.428 349 H GLY 45 H GLY 45 4.566 10.995 -22.376 350 1HA GLY 45 1HA GLY 45 6.499 12.541 -21.080 351 2HA GLY 45 2HA GLY 45 4.833 13.027 -21.357 352 H GLU 46 H GLU 46 3.342 11.430 -19.805 353 HA GLU 46 HA GLU 46 4.079 12.351 -17.166 354 1HB GLU 46 1HB GLU 46 1.888 11.671 -16.461 355 2HB GLU 46 2HB GLU 46 1.751 12.533 -17.983 356 1HG GLU 46 1HG GLU 46 1.522 10.397 -19.164 357 2HG GLU 46 2HG GLU 46 1.634 9.548 -17.621 358 H MET 47 H MET 47 4.345 9.462 -18.972 359 HA MET 47 HA MET 47 4.277 7.507 -16.981 360 1HB MET 47 1HB MET 47 4.779 7.531 -19.679 361 2HB MET 47 2HB MET 47 6.354 7.108 -19.023 362 1HG MET 47 1HG MET 47 5.119 5.111 -19.527 363 2HG MET 47 2HG MET 47 5.314 5.263 -17.779 364 1HE MET 47 1HE MET 47 1.788 3.565 -18.154 365 2HE MET 47 2HE MET 47 3.403 3.426 -17.454 366 3HE MET 47 3HE MET 47 3.184 3.315 -19.201 367 H ASN 48 H ASN 48 6.897 9.599 -18.060 368 HA ASN 48 HA ASN 48 8.859 8.490 -16.310 369 1HB ASN 48 1HB ASN 48 8.716 11.068 -17.866 370 2HB ASN 48 2HB ASN 48 10.064 10.705 -16.794 371 1HD2 ASN 48 2HD2 ASN 48 8.468 9.907 -19.774 372 2HD2 ASN 48 1HD2 ASN 48 9.747 8.944 -20.426 373 H LYS 49 H LYS 49 6.313 10.782 -15.944 374 HA LYS 49 HA LYS 49 7.439 12.038 -13.605 375 1HB LYS 49 1HB LYS 49 4.721 12.259 -14.896 376 2HB LYS 49 2HB LYS 49 5.214 13.174 -13.477 377 1HG LYS 49 1HG LYS 49 7.154 14.010 -14.884 378 2HG LYS 49 2HG LYS 49 6.285 13.349 -16.268 379 1HD LYS 49 1HD LYS 49 4.487 14.837 -15.988 380 2HD LYS 49 2HD LYS 49 4.980 15.247 -14.341 381 1HE LYS 49 1HE LYS 49 6.514 15.919 -16.847 382 2HE LYS 49 2HE LYS 49 5.498 17.040 -15.940 383 1HZ LYS 49 1HZ LYS 49 6.944 16.911 -14.083 384 2HZ LYS 49 2HZ LYS 49 7.920 17.182 -15.443 385 3HZ LYS 49 3HZ LYS 49 7.829 15.631 -14.757 386 H LEU 50 H LEU 50 5.404 9.342 -14.295 387 HA LEU 50 HA LEU 50 4.170 9.111 -11.751 388 1HB LEU 50 1HB LEU 50 4.817 7.004 -13.815 389 2HB LEU 50 2HB LEU 50 3.807 6.738 -12.405 390 HG LEU 50 HG LEU 50 3.199 8.665 -14.651 391 1HD1 LEU 50 1HD1 LEU 50 1.961 6.002 -13.967 392 2HD1 LEU 50 2HD1 LEU 50 3.020 6.330 -15.340 393 3HD1 LEU 50 3HD1 LEU 50 1.435 7.098 -15.244 394 1HD2 LEU 50 1HD2 LEU 50 2.299 9.429 -12.522 395 2HD2 LEU 50 2HD2 LEU 50 1.562 7.849 -12.251 396 3HD2 LEU 50 3HD2 LEU 50 1.007 8.866 -13.580 397 H LEU 51 H LEU 51 7.347 8.571 -12.855 398 HA LEU 51 HA LEU 51 7.975 6.968 -10.473 399 1HB LEU 51 1HB LEU 51 9.393 7.212 -13.120 400 2HB LEU 51 2HB LEU 51 10.082 6.398 -11.727 401 HG LEU 51 HG LEU 51 7.467 5.588 -13.008 402 1HD1 LEU 51 1HD1 LEU 51 8.722 3.730 -13.989 403 2HD1 LEU 51 2HD1 LEU 51 10.226 4.421 -13.378 404 3HD1 LEU 51 3HD1 LEU 51 9.288 5.285 -14.597 405 1HD2 LEU 51 1HD2 LEU 51 7.697 4.943 -10.674 406 2HD2 LEU 51 2HD2 LEU 51 9.261 4.204 -11.018 407 3HD2 LEU 51 3HD2 LEU 51 7.793 3.535 -11.730 408 H GLU 52 H GLU 52 8.047 10.077 -11.504 409 HA GLU 52 HA GLU 52 10.607 10.974 -10.818 410 1HB GLU 52 1HB GLU 52 7.937 12.299 -10.955 411 2HB GLU 52 2HB GLU 52 9.280 13.160 -10.216 412 1HG GLU 52 1HG GLU 52 10.583 12.791 -12.298 413 2HG GLU 52 2HG GLU 52 9.136 12.100 -13.029 414 HA PRO 53 HA PRO 53 9.183 11.666 -6.331 415 1HB PRO 53 1HB PRO 53 6.810 10.807 -5.443 416 2HB PRO 53 2HB PRO 53 6.969 12.325 -6.335 417 1HG PRO 53 1HG PRO 53 6.036 9.652 -7.293 418 2HG PRO 53 2HG PRO 53 5.389 11.262 -7.657 419 1HD PRO 53 1HD PRO 53 7.078 9.845 -9.314 420 2HD PRO 53 2HD PRO 53 6.895 11.609 -9.337 421 H SER 54 H SER 54 9.877 9.032 -7.798 422 HA SER 54 HA SER 54 9.760 7.350 -5.384 423 1HB SER 54 1HB SER 54 9.579 5.371 -6.739 424 2HB SER 54 2HB SER 54 8.335 6.496 -7.276 425 HG SER 54 HG SER 54 10.010 7.140 -8.910 426 H GLN 55 H GLN 55 11.502 5.423 -5.883 427 HA GLN 55 HA GLN 55 14.048 6.847 -6.025 428 1HB GLN 55 1HB GLN 55 13.527 3.943 -5.354 429 2HB GLN 55 2HB GLN 55 15.021 4.829 -5.090 430 1HG GLN 55 1HG GLN 55 12.409 5.461 -3.742 431 2HG GLN 55 2HG GLN 55 13.667 4.448 -3.046 432 1HE2 GLN 55 2HE2 GLN 55 13.916 5.810 -1.299 433 2HE2 GLN 55 1HE2 GLN 55 14.696 7.349 -1.419 434 H VAL 56 H VAL 56 12.007 5.276 -8.092 435 HA VAL 56 HA VAL 56 13.922 3.745 -9.593 436 HB VAL 56 HB VAL 56 11.118 4.568 -10.377 437 1HG1 VAL 56 1HG1 VAL 56 12.472 3.857 -12.269 438 2HG1 VAL 56 2HG1 VAL 56 11.224 2.665 -11.904 439 3HG1 VAL 56 3HG1 VAL 56 12.895 2.370 -11.423 440 1HG2 VAL 56 1HG2 VAL 56 12.071 2.042 -9.033 441 2HG2 VAL 56 2HG2 VAL 56 10.431 2.360 -9.598 442 3HG2 VAL 56 3HG2 VAL 56 11.112 3.318 -8.283 443 H HIS 57 H HIS 57 15.478 4.895 -10.608 444 HA HIS 57 HA HIS 57 14.696 7.332 -12.035 445 1HB HIS 57 1HB HIS 57 17.386 6.204 -11.273 446 2HB HIS 57 2HB HIS 57 17.221 7.521 -12.429 447 HD1 HIS 57 HD1 HIS 57 17.302 9.789 -11.443 448 HD2 HIS 57 HD2 HIS 57 16.125 6.924 -8.666 449 HE1 HIS 57 HE1 HIS 57 17.086 11.009 -9.255 450 H LEU 58 H LEU 58 13.473 6.036 -13.558 451 HA LEU 58 HA LEU 58 15.212 4.909 -15.652 452 1HB LEU 58 1HB LEU 58 12.540 4.101 -14.641 453 2HB LEU 58 2HB LEU 58 12.799 3.983 -16.371 454 HG LEU 58 HG LEU 58 14.717 2.498 -15.991 455 1HD1 LEU 58 1HD1 LEU 58 15.424 3.328 -13.810 456 2HD1 LEU 58 2HD1 LEU 58 15.176 1.583 -13.789 457 3HD1 LEU 58 3HD1 LEU 58 13.968 2.653 -13.076 458 1HD2 LEU 58 1HD2 LEU 58 13.468 0.556 -15.220 459 2HD2 LEU 58 2HD2 LEU 58 12.512 1.541 -16.327 460 3HD2 LEU 58 3HD2 LEU 58 12.204 1.612 -14.590 461 H LYS 59 H LYS 59 15.153 5.778 -17.622 462 HA LYS 59 HA LYS 59 13.333 8.062 -18.012 463 1HB LYS 59 1HB LYS 59 16.125 7.648 -19.108 464 2HB LYS 59 2HB LYS 59 15.110 9.058 -19.393 465 1HG LYS 59 1HG LYS 59 15.186 9.644 -17.056 466 2HG LYS 59 2HG LYS 59 16.071 8.168 -16.680 467 1HD LYS 59 1HD LYS 59 17.068 10.429 -18.415 468 2HD LYS 59 2HD LYS 59 17.551 10.119 -16.747 469 1HE LYS 59 1HE LYS 59 18.293 7.824 -17.559 470 2HE LYS 59 2HE LYS 59 18.109 8.459 -19.192 471 1HZ LYS 59 1HZ LYS 59 19.994 9.334 -17.084 472 2HZ LYS 59 2HZ LYS 59 19.647 10.311 -18.427 473 3HZ LYS 59 3HZ LYS 59 20.345 8.780 -18.652 474 H PHE 60 H PHE 60 11.838 7.712 -19.486 475 HA PHE 60 HA PHE 60 12.242 5.604 -21.474 476 1HB PHE 60 1HB PHE 60 9.741 7.196 -20.868 477 2HB PHE 60 2HB PHE 60 9.848 5.761 -21.881 478 HD1 PHE 60 HD1 PHE 60 10.422 3.559 -20.810 479 HD2 PHE 60 HD2 PHE 60 9.453 7.029 -18.548 480 HE1 PHE 60 HE1 PHE 60 9.941 2.148 -18.851 481 HE2 PHE 60 HE2 PHE 60 8.982 5.625 -16.585 482 HZ PHE 60 HZ PHE 60 9.222 3.179 -16.738 483 H GLU 61 H GLU 61 12.860 6.086 -23.483 484 HA GLU 61 HA GLU 61 12.232 8.779 -24.511 485 1HB GLU 61 1HB GLU 61 14.704 7.115 -24.811 486 2HB GLU 61 2HB GLU 61 14.267 8.255 -26.072 487 1HG GLU 61 1HG GLU 61 14.217 10.032 -24.292 488 2HG GLU 61 2HG GLU 61 14.934 8.842 -23.206 489 H LEU 62 H LEU 62 11.161 8.918 -26.388 490 HA LEU 62 HA LEU 62 10.446 6.515 -27.824 491 1HB LEU 62 1HB LEU 62 8.819 8.352 -27.578 492 2HB LEU 62 2HB LEU 62 9.891 9.422 -28.458 493 HG LEU 62 HG LEU 62 9.650 7.914 -30.463 494 1HD1 LEU 62 1HD1 LEU 62 8.972 5.888 -29.271 495 2HD1 LEU 62 2HD1 LEU 62 7.779 6.346 -30.487 496 3HD1 LEU 62 3HD1 LEU 62 7.470 6.672 -28.782 497 1HD2 LEU 62 1HD2 LEU 62 8.368 9.989 -30.220 498 2HD2 LEU 62 2HD2 LEU 62 7.105 9.107 -29.363 499 3HD2 LEU 62 3HD2 LEU 62 7.438 8.743 -31.055 500 H HIS 63 H HIS 63 11.875 5.634 -29.162 501 HA HIS 63 HA HIS 63 13.416 7.473 -30.852 502 1HB HIS 63 1HB HIS 63 14.345 5.038 -29.404 503 2HB HIS 63 2HB HIS 63 15.069 5.427 -30.962 504 HD1 HIS 63 HD1 HIS 63 16.415 7.680 -31.117 505 HD2 HIS 63 HD2 HIS 63 15.124 6.657 -27.297 506 HE1 HIS 63 HE1 HIS 63 17.714 9.149 -29.539 507 H ASP 64 H ASP 64 13.663 6.950 -32.969 508 HA ASP 64 HA ASP 64 11.447 5.356 -33.940 509 1HB ASP 64 1HB ASP 64 11.709 6.572 -35.993 510 2HB ASP 64 2HB ASP 64 11.790 7.711 -34.665 511 H LYS 65 H LYS 65 11.695 3.992 -35.809 512 HA LYS 65 HA LYS 65 14.338 2.729 -36.057 513 1HB LYS 65 1HB LYS 65 13.062 1.416 -34.425 514 2HB LYS 65 2HB LYS 65 11.716 1.298 -35.549 515 1HG LYS 65 1HG LYS 65 13.593 0.209 -37.083 516 2HG LYS 65 2HG LYS 65 14.288 -0.168 -35.503 517 1HD LYS 65 1HD LYS 65 12.258 -1.304 -34.838 518 2HD LYS 65 2HD LYS 65 11.462 -0.823 -36.338 519 1HE LYS 65 1HE LYS 65 13.269 -2.097 -37.557 520 2HE LYS 65 2HE LYS 65 13.752 -2.743 -35.989 521 1HZ LYS 65 1HZ LYS 65 11.460 -3.599 -35.734 522 2HZ LYS 65 2HZ LYS 65 12.282 -4.285 -37.051 523 3HZ LYS 65 3HZ LYS 65 11.112 -3.082 -37.312 524 H LEU 66 H LEU 66 14.272 4.001 -38.054 525 HA LEU 66 HA LEU 66 14.210 4.095 -40.312 526 1HB LEU 66 1HB LEU 66 14.576 1.608 -40.098 527 2HB LEU 66 2HB LEU 66 12.845 1.402 -40.269 528 HG LEU 66 HG LEU 66 14.391 2.855 -42.390 529 1HD1 LEU 66 1HD1 LEU 66 14.724 0.733 -43.555 530 2HD1 LEU 66 2HD1 LEU 66 14.104 -0.137 -42.151 531 3HD1 LEU 66 3HD1 LEU 66 15.607 0.778 -42.029 532 1HD2 LEU 66 1HD2 LEU 66 12.632 1.941 -43.832 533 2HD2 LEU 66 2HD2 LEU 66 11.955 2.893 -42.511 534 3HD2 LEU 66 3HD2 LEU 66 11.912 1.132 -42.440 535 H ASN 67 H ASN 67 11.175 2.497 -39.355 536 HA ASN 67 HA ASN 67 9.710 4.778 -40.502 537 1HB ASN 67 1HB ASN 67 9.585 2.878 -42.071 538 2HB ASN 67 2HB ASN 67 8.953 1.859 -40.783 539 1HD2 ASN 67 2HD2 ASN 67 6.815 2.019 -40.202 540 2HD2 ASN 67 1HD2 ASN 67 5.675 2.984 -41.088 541 H GLU 68 H GLU 68 10.007 2.324 -38.068 542 HA GLU 68 HA GLU 68 7.447 2.953 -36.855 543 1HB GLU 68 1HB GLU 68 9.628 1.106 -35.864 544 2HB GLU 68 2HB GLU 68 7.974 1.182 -35.278 545 1HG GLU 68 1HG GLU 68 8.889 0.265 -37.987 546 2HG GLU 68 2HG GLU 68 8.229 -0.731 -36.691 547 H TYR 69 H TYR 69 7.466 3.265 -34.423 548 HA TYR 69 HA TYR 69 9.814 4.647 -33.377 549 1HB TYR 69 1HB TYR 69 7.462 6.046 -32.477 550 2HB TYR 69 2HB TYR 69 8.886 6.693 -33.276 551 HD1 TYR 69 HD1 TYR 69 5.464 5.431 -33.781 552 HD2 TYR 69 HD2 TYR 69 8.868 7.188 -35.635 553 HE1 TYR 69 HE1 TYR 69 4.107 5.954 -35.765 554 HE2 TYR 69 HE2 TYR 69 7.520 7.717 -37.622 555 HH TYR 69 HH TYR 69 5.433 6.827 -38.722 556 H TYR 70 H TYR 70 10.248 3.731 -31.435 557 HA TYR 70 HA TYR 70 7.968 2.559 -29.987 558 1HB TYR 70 1HB TYR 70 9.306 0.626 -29.392 559 2HB TYR 70 2HB TYR 70 9.269 0.801 -31.142 560 HD1 TYR 70 HD1 TYR 70 11.283 1.586 -32.349 561 HD2 TYR 70 HD2 TYR 70 11.346 0.807 -28.169 562 HE1 TYR 70 HE1 TYR 70 13.740 1.529 -32.402 563 HE2 TYR 70 HE2 TYR 70 13.798 0.752 -28.206 564 HH TYR 70 HH TYR 70 15.611 0.357 -29.793 565 H VAL 71 H VAL 71 8.434 2.117 -27.688 566 HA VAL 71 HA VAL 71 9.924 4.379 -26.559 567 HB VAL 71 HB VAL 71 7.904 2.580 -25.204 568 1HG1 VAL 71 1HG1 VAL 71 9.440 3.630 -23.641 569 2HG1 VAL 71 2HG1 VAL 71 7.832 4.341 -23.493 570 3HG1 VAL 71 3HG1 VAL 71 9.106 5.212 -24.347 571 1HG2 VAL 71 1HG2 VAL 71 6.338 4.461 -25.434 572 2HG2 VAL 71 2HG2 VAL 71 6.841 3.822 -26.999 573 3HG2 VAL 71 3HG2 VAL 71 7.535 5.327 -26.397 574 H LYS 72 H LYS 72 11.891 3.948 -25.820 575 HA LYS 72 HA LYS 72 12.446 1.215 -24.895 576 1HB LYS 72 1HB LYS 72 14.823 1.722 -25.358 577 2HB LYS 72 2HB LYS 72 13.809 1.784 -26.789 578 1HG LYS 72 1HG LYS 72 13.730 4.329 -26.324 579 2HG LYS 72 2HG LYS 72 15.142 4.013 -25.313 580 1HD LYS 72 1HD LYS 72 14.836 3.476 -28.262 581 2HD LYS 72 2HD LYS 72 15.922 4.629 -27.484 582 1HE LYS 72 1HE LYS 72 17.144 2.778 -26.455 583 2HE LYS 72 2HE LYS 72 16.052 1.625 -27.221 584 1HZ LYS 72 1HZ LYS 72 16.796 2.493 -29.393 585 2HZ LYS 72 2HZ LYS 72 18.050 1.781 -28.509 586 3HZ LYS 72 3HZ LYS 72 17.931 3.472 -28.600 587 H VAL 73 H VAL 73 13.357 0.852 -22.946 588 HA VAL 73 HA VAL 73 13.038 3.037 -21.036 589 HB VAL 73 HB VAL 73 13.500 0.106 -20.472 590 1HG1 VAL 73 1HG1 VAL 73 12.469 2.349 -18.744 591 2HG1 VAL 73 2HG1 VAL 73 14.034 1.548 -18.604 592 3HG1 VAL 73 3HG1 VAL 73 12.553 0.652 -18.269 593 1HG2 VAL 73 1HG2 VAL 73 11.076 -0.058 -20.106 594 2HG2 VAL 73 2HG2 VAL 73 11.465 0.359 -21.775 595 3HG2 VAL 73 3HG2 VAL 73 10.890 1.605 -20.668 596 H ILE 74 H ILE 74 14.796 4.165 -20.529 597 HA ILE 74 HA ILE 74 17.400 2.795 -20.495 598 HB ILE 74 HB ILE 74 16.827 5.769 -20.578 599 1HG1 ILE 74 1HG1 ILE 74 17.828 3.912 -22.754 600 2HG1 ILE 74 2HG1 ILE 74 16.205 4.587 -22.666 601 1HG2 ILE 74 1HG2 ILE 74 19.415 4.225 -20.755 602 2HG2 ILE 74 2HG2 ILE 74 18.919 5.321 -19.465 603 3HG2 ILE 74 3HG2 ILE 74 19.252 5.952 -21.078 604 1HD1 ILE 74 1HD1 ILE 74 18.757 6.146 -23.001 605 2HD1 ILE 74 2HD1 ILE 74 17.138 6.837 -22.892 606 3HD1 ILE 74 3HD1 ILE 74 17.566 5.802 -24.255 607 H GLU 75 H GLU 75 17.921 2.111 -18.524 608 HA GLU 75 HA GLU 75 16.880 3.354 -16.138 609 1HB GLU 75 1HB GLU 75 17.204 0.922 -16.273 610 2HB GLU 75 2HB GLU 75 18.929 1.161 -16.511 611 1HG GLU 75 1HG GLU 75 19.028 2.235 -14.274 612 2HG GLU 75 2HG GLU 75 17.333 1.804 -14.043 613 H ASP 76 H ASP 76 17.918 4.868 -14.904 614 HA ASP 76 HA ASP 76 20.203 6.130 -16.102 615 1HB ASP 76 1HB ASP 76 18.295 7.336 -14.954 616 2HB ASP 76 2HB ASP 76 18.983 6.798 -13.425 617 H SER 77 H SER 77 19.719 3.836 -13.573 618 HA SER 77 HA SER 77 22.079 4.215 -12.090 619 1HB SER 77 1HB SER 77 20.624 1.607 -12.594 620 2HB SER 77 2HB SER 77 21.685 1.979 -11.235 621 HG SER 77 HG SER 77 20.183 3.336 -10.402 622 H THR 78 H THR 78 21.374 2.031 -14.820 623 HA THR 78 HA THR 78 24.191 1.366 -15.101 624 HB THR 78 HB THR 78 23.217 0.089 -17.153 625 HG1 THR 78 HG1 THR 78 20.808 0.052 -15.726 626 1HG2 THR 78 1HG2 THR 78 22.514 -1.774 -15.689 627 2HG2 THR 78 2HG2 THR 78 22.501 -0.667 -14.316 628 3HG2 THR 78 3HG2 THR 78 24.016 -1.025 -15.145 629 H ASN 79 H ASN 79 21.825 3.458 -16.423 630 HA ASN 79 HA ASN 79 21.908 5.228 -17.812 631 1HB ASN 79 1HB ASN 79 24.351 5.322 -16.759 632 2HB ASN 79 2HB ASN 79 24.814 4.938 -18.416 633 1HD2 ASN 79 2HD2 ASN 79 23.437 7.283 -16.290 634 2HD2 ASN 79 1HD2 ASN 79 23.440 8.608 -17.402 635 H GLU 80 H GLU 80 21.657 2.401 -18.690 636 HA GLU 80 HA GLU 80 22.070 2.908 -21.550 637 1HB GLU 80 1HB GLU 80 22.709 0.565 -21.903 638 2HB GLU 80 2HB GLU 80 23.850 1.398 -20.860 639 1HG GLU 80 1HG GLU 80 22.796 0.362 -18.901 640 2HG GLU 80 2HG GLU 80 21.689 -0.504 -19.968 641 H VAL 81 H VAL 81 20.826 1.119 -22.829 642 HA VAL 81 HA VAL 81 18.078 1.326 -21.971 643 HB VAL 81 HB VAL 81 19.163 -0.082 -24.416 644 1HG1 VAL 81 1HG1 VAL 81 16.892 0.337 -25.303 645 2HG1 VAL 81 2HG1 VAL 81 16.424 0.978 -23.728 646 3HG1 VAL 81 3HG1 VAL 81 16.894 -0.715 -23.886 647 1HG2 VAL 81 1HG2 VAL 81 18.665 1.995 -25.635 648 2HG2 VAL 81 2HG2 VAL 81 19.912 2.233 -24.411 649 3HG2 VAL 81 3HG2 VAL 81 18.264 2.782 -24.109 650 H ILE 82 H ILE 82 17.131 -0.135 -20.723 651 HA ILE 82 HA ILE 82 18.395 -2.756 -20.432 652 HB ILE 82 HB ILE 82 16.936 -3.013 -18.432 653 1HG1 ILE 82 1HG1 ILE 82 16.240 -0.109 -18.935 654 2HG1 ILE 82 2HG1 ILE 82 15.142 -1.458 -19.211 655 1HG2 ILE 82 1HG2 ILE 82 19.227 -2.180 -18.244 656 2HG2 ILE 82 2HG2 ILE 82 18.178 -1.437 -17.038 657 3HG2 ILE 82 3HG2 ILE 82 18.650 -0.529 -18.474 658 1HD1 ILE 82 1HD1 ILE 82 15.221 -1.995 -16.828 659 2HD1 ILE 82 2HD1 ILE 82 14.673 -0.341 -17.108 660 3HD1 ILE 82 3HD1 ILE 82 16.325 -0.644 -16.565 661 H ARG 83 H ARG 83 15.492 -1.288 -21.658 662 HA ARG 83 HA ARG 83 14.684 -3.821 -22.783 663 1HB ARG 83 1HB ARG 83 13.572 -3.150 -20.328 664 2HB ARG 83 2HB ARG 83 12.366 -2.608 -21.488 665 1HG ARG 83 1HG ARG 83 11.772 -4.813 -20.955 666 2HG ARG 83 2HG ARG 83 12.552 -4.911 -22.536 667 1HD ARG 83 1HD ARG 83 14.705 -5.373 -21.197 668 2HD ARG 83 2HD ARG 83 13.621 -5.715 -19.854 669 HE ARG 83 HE ARG 83 12.970 -7.148 -22.260 670 1HH1 ARG 83 1HH1 ARG 83 14.838 -7.144 -19.304 671 2HH1 ARG 83 2HH1 ARG 83 15.122 -8.859 -19.320 672 1HH2 ARG 83 1HH2 ARG 83 13.322 -9.424 -22.287 673 2HH2 ARG 83 2HH2 ARG 83 14.249 -10.157 -21.005 674 H GLU 84 H GLU 84 13.131 -3.575 -24.471 675 HA GLU 84 HA GLU 84 12.529 -0.802 -25.231 676 1HB GLU 84 1HB GLU 84 13.623 -2.958 -27.052 677 2HB GLU 84 2HB GLU 84 13.037 -1.391 -27.592 678 1HG GLU 84 1HG GLU 84 14.788 -0.255 -26.424 679 2HG GLU 84 2HG GLU 84 15.308 -1.750 -25.653 680 H ILE 85 H ILE 85 10.393 -0.577 -25.438 681 HA ILE 85 HA ILE 85 8.800 -2.987 -26.003 682 HB ILE 85 HB ILE 85 8.049 -0.490 -24.473 683 1HG1 ILE 85 1HG1 ILE 85 7.515 -2.279 -22.700 684 2HG1 ILE 85 2HG1 ILE 85 8.475 -3.367 -23.691 685 1HG2 ILE 85 1HG2 ILE 85 6.304 -2.825 -25.238 686 2HG2 ILE 85 2HG2 ILE 85 6.149 -1.163 -25.811 687 3HG2 ILE 85 3HG2 ILE 85 5.855 -1.544 -24.114 688 1HD1 ILE 85 1HD1 ILE 85 9.430 -0.820 -22.414 689 2HD1 ILE 85 2HD1 ILE 85 10.400 -1.880 -23.436 690 3HD1 ILE 85 3HD1 ILE 85 9.794 -2.463 -21.885 691 HA PRO 86 HA PRO 86 7.672 -0.777 -29.744 692 1HB PRO 86 1HB PRO 86 6.407 -2.808 -30.940 693 2HB PRO 86 2HB PRO 86 8.164 -2.785 -30.786 694 1HG PRO 86 1HG PRO 86 6.144 -4.264 -29.141 695 2HG PRO 86 2HG PRO 86 7.699 -4.831 -29.778 696 1HD PRO 86 1HD PRO 86 7.322 -3.962 -27.202 697 2HD PRO 86 2HD PRO 86 8.879 -3.906 -28.052 698 HA PRO 87 HA PRO 87 3.743 0.871 -28.763 699 1HB PRO 87 1HB PRO 87 3.032 0.676 -31.639 700 2HB PRO 87 2HB PRO 87 3.056 2.087 -30.578 701 1HG PRO 87 1HG PRO 87 4.957 1.716 -32.408 702 2HG PRO 87 2HG PRO 87 5.339 2.391 -30.815 703 1HD PRO 87 1HD PRO 87 5.807 -0.358 -31.875 704 2HD PRO 87 2HD PRO 87 6.819 0.624 -30.795 705 H LYS 88 H LYS 88 3.735 -1.959 -30.869 706 HA LYS 88 HA LYS 88 0.932 -2.415 -30.675 707 1HB LYS 88 1HB LYS 88 1.378 -4.555 -31.744 708 2HB LYS 88 2HB LYS 88 2.248 -3.261 -32.553 709 1HG LYS 88 1HG LYS 88 4.300 -3.926 -31.378 710 2HG LYS 88 2HG LYS 88 3.416 -5.251 -30.616 711 1HD LYS 88 1HD LYS 88 3.882 -4.863 -33.573 712 2HD LYS 88 2HD LYS 88 4.643 -6.075 -32.541 713 1HE LYS 88 1HE LYS 88 2.489 -7.119 -32.139 714 2HE LYS 88 2HE LYS 88 1.680 -5.869 -33.082 715 1HZ LYS 88 1HZ LYS 88 3.639 -7.847 -34.118 716 2HZ LYS 88 2HZ LYS 88 2.924 -6.614 -35.034 717 3HZ LYS 88 3HZ LYS 88 1.965 -7.855 -34.390 718 H ARG 89 H ARG 89 3.408 -2.857 -28.450 719 HA ARG 89 HA ARG 89 1.666 -4.634 -26.874 720 1HB ARG 89 1HB ARG 89 4.684 -4.570 -26.897 721 2HB ARG 89 2HB ARG 89 3.716 -5.470 -25.740 722 1HG ARG 89 1HG ARG 89 2.704 -6.666 -27.734 723 2HG ARG 89 2HG ARG 89 3.996 -5.936 -28.691 724 1HD ARG 89 1HD ARG 89 5.652 -6.958 -27.187 725 2HD ARG 89 2HD ARG 89 4.348 -7.694 -26.279 726 HE ARG 89 HE ARG 89 3.915 -8.585 -28.802 727 1HH1 ARG 89 1HH1 ARG 89 6.764 -8.564 -26.747 728 2HH1 ARG 89 2HH1 ARG 89 7.345 -10.104 -27.329 729 1HH2 ARG 89 1HH2 ARG 89 4.695 -10.603 -29.563 730 2HH2 ARG 89 2HH2 ARG 89 6.157 -11.267 -28.896 731 H TRP 90 H TRP 90 2.137 -1.636 -27.169 732 HA TRP 90 HA TRP 90 3.309 -0.733 -24.748 733 1HB TRP 90 1HB TRP 90 3.182 0.727 -26.694 734 2HB TRP 90 2HB TRP 90 1.425 0.647 -26.671 735 HD1 TRP 90 HD1 TRP 90 0.282 2.615 -25.534 736 HE1 TRP 90 HE1 TRP 90 0.961 4.417 -23.833 737 HE3 TRP 90 HE3 TRP 90 5.017 0.999 -24.486 738 HZ2 TRP 90 HZ2 TRP 90 3.214 5.077 -22.253 739 HZ3 TRP 90 HZ3 TRP 90 6.370 2.270 -22.871 740 HH2 TRP 90 HH2 TRP 90 5.487 4.267 -21.777 741 H LEU 91 H LEU 91 0.057 -1.627 -25.704 742 HA LEU 91 HA LEU 91 -1.313 -0.487 -23.524 743 1HB LEU 91 1HB LEU 91 -2.019 -2.893 -25.203 744 2HB LEU 91 2HB LEU 91 -3.113 -2.102 -24.083 745 HG LEU 91 HG LEU 91 -1.924 -0.864 -26.571 746 1HD1 LEU 91 1HD1 LEU 91 -4.738 -1.730 -25.922 747 2HD1 LEU 91 2HD1 LEU 91 -3.647 -2.506 -27.069 748 3HD1 LEU 91 3HD1 LEU 91 -4.237 -0.874 -27.381 749 1HD2 LEU 91 1HD2 LEU 91 -3.365 1.036 -26.096 750 2HD2 LEU 91 2HD2 LEU 91 -2.221 0.778 -24.779 751 3HD2 LEU 91 3HD2 LEU 91 -3.901 0.273 -24.598 752 H ASP 92 H ASP 92 0.340 -3.555 -23.921 753 HA ASP 92 HA ASP 92 -0.538 -4.768 -21.512 754 1HB ASP 92 1HB ASP 92 2.050 -5.213 -23.021 755 2HB ASP 92 2HB ASP 92 1.347 -6.299 -21.828 756 H PHE 93 H PHE 93 2.408 -3.018 -22.400 757 HA PHE 93 HA PHE 93 3.640 -3.128 -19.872 758 1HB PHE 93 1HB PHE 93 4.741 -2.596 -22.080 759 2HB PHE 93 2HB PHE 93 4.021 -0.996 -21.981 760 HD1 PHE 93 HD1 PHE 93 5.512 0.633 -21.397 761 HD2 PHE 93 HD2 PHE 93 5.898 -3.226 -19.642 762 HE1 PHE 93 HE1 PHE 93 7.459 1.417 -20.113 763 HE2 PHE 93 HE2 PHE 93 7.842 -2.448 -18.352 764 HZ PHE 93 HZ PHE 93 8.628 -0.126 -18.590 765 H TYR 94 H TYR 94 1.570 -0.707 -21.408 766 HA TYR 94 HA TYR 94 1.620 1.231 -19.400 767 1HB TYR 94 1HB TYR 94 0.640 1.689 -21.580 768 2HB TYR 94 2HB TYR 94 -0.615 0.489 -21.301 769 HD1 TYR 94 HD1 TYR 94 0.737 3.595 -19.713 770 HD2 TYR 94 HD2 TYR 94 -2.687 1.240 -20.612 771 HE1 TYR 94 HE1 TYR 94 -0.703 5.337 -18.751 772 HE2 TYR 94 HE2 TYR 94 -4.140 2.976 -19.650 773 HH TYR 94 HH TYR 94 -3.004 6.105 -18.891 774 H ALA 95 H ALA 95 -0.579 -1.529 -19.838 775 HA ALA 95 HA ALA 95 -2.233 -1.031 -17.636 776 1HB ALA 95 1HB ALA 95 -1.502 -3.676 -18.887 777 2HB ALA 95 2HB ALA 95 -2.814 -2.612 -19.393 778 3HB ALA 95 3HB ALA 95 -2.868 -3.391 -17.811 779 H ALA 96 H ALA 96 0.647 -3.108 -17.910 780 HA ALA 96 HA ALA 96 0.672 -4.061 -15.290 781 1HB ALA 96 1HB ALA 96 3.053 -3.514 -17.053 782 2HB ALA 96 2HB ALA 96 2.044 -4.960 -17.124 783 3HB ALA 96 3HB ALA 96 2.995 -4.613 -15.678 784 H MET 97 H MET 97 1.949 -1.053 -16.628 785 HA MET 97 HA MET 97 3.289 -0.336 -14.191 786 1HB MET 97 1HB MET 97 2.668 1.245 -16.685 787 2HB MET 97 2HB MET 97 3.536 1.910 -15.311 788 1HG MET 97 1HG MET 97 5.225 0.103 -15.592 789 2HG MET 97 2HG MET 97 4.394 -0.367 -17.074 790 1HE MET 97 1HE MET 97 5.027 3.250 -15.606 791 2HE MET 97 2HE MET 97 6.514 3.688 -16.449 792 3HE MET 97 3HE MET 97 6.522 2.378 -15.268 793 H THR 98 H THR 98 0.221 0.612 -15.739 794 HA THR 98 HA THR 98 -0.270 2.677 -13.829 795 HB THR 98 HB THR 98 -1.249 2.737 -16.104 796 HG1 THR 98 HG1 THR 98 -2.784 2.979 -13.762 797 1HG2 THR 98 1HG2 THR 98 -1.861 0.374 -16.327 798 2HG2 THR 98 2HG2 THR 98 -3.252 1.424 -16.600 799 3HG2 THR 98 3HG2 THR 98 -3.080 0.570 -15.066 800 H GLU 99 H GLU 99 -1.010 -0.740 -13.910 801 HA GLU 99 HA GLU 99 -2.914 -0.589 -11.776 802 1HB GLU 99 1HB GLU 99 -1.312 -2.915 -12.841 803 2HB GLU 99 2HB GLU 99 -2.563 -3.059 -11.612 804 1HG GLU 99 1HG GLU 99 -4.156 -2.048 -13.253 805 2HG GLU 99 2HG GLU 99 -2.891 -2.191 -14.472 806 H PHE 100 H PHE 100 0.541 -0.942 -12.026 807 HA PHE 100 HA PHE 100 0.887 -1.551 -9.228 808 1HB PHE 100 1HB PHE 100 2.420 -2.424 -10.972 809 2HB PHE 100 2HB PHE 100 2.951 -0.779 -11.304 810 HD1 PHE 100 HD1 PHE 100 4.682 0.183 -10.071 811 HD2 PHE 100 HD2 PHE 100 2.806 -3.362 -8.648 812 HE1 PHE 100 HE1 PHE 100 6.415 -0.034 -8.337 813 HE2 PHE 100 HE2 PHE 100 4.533 -3.587 -6.909 814 HZ PHE 100 HZ PHE 100 6.340 -1.923 -6.752 815 H LEU 101 H LEU 101 1.825 1.192 -11.316 816 HA LEU 101 HA LEU 101 2.595 2.792 -9.076 817 1HB LEU 101 1HB LEU 101 2.148 3.561 -11.964 818 2HB LEU 101 2HB LEU 101 2.864 4.597 -10.746 819 HG LEU 101 HG LEU 101 4.030 1.978 -11.690 820 1HD1 LEU 101 1HD1 LEU 101 5.713 3.373 -12.790 821 2HD1 LEU 101 2HD1 LEU 101 4.823 4.820 -12.314 822 3HD1 LEU 101 3HD1 LEU 101 4.099 3.670 -13.437 823 1HD2 LEU 101 1HD2 LEU 101 5.160 4.115 -9.884 824 2HD2 LEU 101 2HD2 LEU 101 6.003 2.666 -10.434 825 3HD2 LEU 101 3HD2 LEU 101 4.601 2.522 -9.374 826 H GLY 102 H GLY 102 -0.368 2.198 -10.700 827 1HA GLY 102 1HA GLY 102 -1.640 4.652 -9.858 828 2HA GLY 102 2HA GLY 102 -2.426 3.285 -10.627 829 H LEU 103 H LEU 103 -0.657 1.984 -8.221 830 HA LEU 103 HA LEU 103 -2.825 2.100 -6.278 831 1HB LEU 103 1HB LEU 103 -0.214 0.583 -6.297 832 2HB LEU 103 2HB LEU 103 -1.351 0.541 -4.963 833 HG LEU 103 HG LEU 103 -1.895 -0.418 -7.773 834 1HD1 LEU 103 1HD1 LEU 103 -1.476 -1.930 -5.199 835 2HD1 LEU 103 2HD1 LEU 103 -0.371 -1.877 -6.574 836 3HD1 LEU 103 3HD1 LEU 103 -1.954 -2.638 -6.741 837 1HD2 LEU 103 1HD2 LEU 103 -3.901 0.486 -6.729 838 2HD2 LEU 103 2HD2 LEU 103 -3.622 -0.507 -5.298 839 3HD2 LEU 103 3HD2 LEU 103 -3.996 -1.270 -6.843 840 H PHE 104 H PHE 104 0.552 3.042 -6.632 841 HA PHE 104 HA PHE 104 0.711 4.257 -4.033 842 1HB PHE 104 1HB PHE 104 2.563 4.457 -6.419 843 2HB PHE 104 2HB PHE 104 2.924 5.045 -4.804 844 HD1 PHE 104 HD1 PHE 104 3.428 3.508 -2.998 845 HD2 PHE 104 HD2 PHE 104 2.614 2.099 -6.931 846 HE1 PHE 104 HE1 PHE 104 4.360 1.312 -2.403 847 HE2 PHE 104 HE2 PHE 104 3.537 -0.101 -6.338 848 HZ PHE 104 HZ PHE 104 4.412 -0.497 -4.071 849 H VAL 105 H VAL 105 0.660 5.429 -7.352 850 HA VAL 105 HA VAL 105 0.184 7.343 -8.367 851 HB VAL 105 HB VAL 105 -1.909 8.391 -7.904 852 1HG1 VAL 105 1HG1 VAL 105 -1.973 6.330 -9.089 853 2HG1 VAL 105 2HG1 VAL 105 -3.372 6.430 -8.019 854 3HG1 VAL 105 3HG1 VAL 105 -1.994 5.419 -7.580 855 1HG2 VAL 105 1HG2 VAL 105 -3.323 7.737 -6.015 856 2HG2 VAL 105 2HG2 VAL 105 -1.849 8.549 -5.485 857 3HG2 VAL 105 3HG2 VAL 105 -1.985 6.796 -5.356 858 H ASP 106 H ASP 106 0.878 9.268 -8.620 859 HA ASP 106 HA ASP 106 1.768 10.923 -6.470 860 1HB ASP 106 1HB ASP 106 2.936 11.167 -8.553 861 2HB ASP 106 2HB ASP 106 1.435 11.383 -9.447 862 H GLU 107 H GLU 107 0.191 11.363 -5.186 863 HA GLU 107 HA GLU 107 -2.222 11.600 -4.771 864 1HB GLU 107 1HB GLU 107 -0.677 12.916 -3.433 865 2HB GLU 107 2HB GLU 107 -0.709 14.197 -4.638 866 1HG GLU 107 1HG GLU 107 -3.120 14.481 -4.240 867 2HG GLU 107 2HG GLU 107 -3.038 13.246 -2.985 868 H LYS 108 H LYS 108 -1.152 14.241 -6.958 869 HA LYS 108 HA LYS 108 -3.691 15.275 -7.445 870 1HB LYS 108 1HB LYS 108 -1.268 15.253 -9.249 871 2HB LYS 108 2HB LYS 108 -2.679 16.278 -9.478 872 1HG LYS 108 1HG LYS 108 -2.261 17.422 -7.416 873 2HG LYS 108 2HG LYS 108 -0.950 16.312 -7.018 874 1HD LYS 108 1HD LYS 108 -0.052 18.406 -7.828 875 2HD LYS 108 2HD LYS 108 0.297 17.117 -8.979 876 1HE LYS 108 1HE LYS 108 -1.502 17.853 -10.407 877 2HE LYS 108 2HE LYS 108 -1.992 19.065 -9.223 878 1HZ LYS 108 1HZ LYS 108 0.628 19.008 -10.625 879 2HZ LYS 108 2HZ LYS 108 0.107 20.193 -9.531 880 3HZ LYS 108 3HZ LYS 108 -0.672 20.023 -11.028 881 H LYS 109 H LYS 109 -2.339 12.346 -8.602 882 HA LYS 109 HA LYS 109 -4.373 12.140 -10.709 883 1HB LYS 109 1HB LYS 109 -1.816 10.638 -10.197 884 2HB LYS 109 2HB LYS 109 -3.033 10.032 -11.312 885 1HG LYS 109 1HG LYS 109 -2.822 12.010 -12.681 886 2HG LYS 109 2HG LYS 109 -1.687 12.717 -11.526 887 1HD LYS 109 1HD LYS 109 -0.080 10.978 -11.971 888 2HD LYS 109 2HD LYS 109 -1.229 10.129 -13.008 889 1HE LYS 109 1HE LYS 109 -0.279 12.932 -13.561 890 2HE LYS 109 2HE LYS 109 0.548 11.506 -14.181 891 1HZ LYS 109 1HZ LYS 109 -2.341 11.888 -14.665 892 2HZ LYS 109 2HZ LYS 109 -1.221 10.960 -15.546 893 3HZ LYS 109 3HZ LYS 109 -1.190 12.652 -15.648 894 H LEU 110 H LEU 110 -4.430 11.538 -7.535 895 HA LEU 110 HA LEU 110 -5.465 8.830 -7.720 896 1HB LEU 110 1HB LEU 110 -5.730 8.840 -5.352 897 2HB LEU 110 2HB LEU 110 -4.160 9.496 -5.741 898 HG LEU 110 HG LEU 110 -5.399 11.806 -5.431 899 1HD1 LEU 110 1HD1 LEU 110 -7.630 10.878 -5.117 900 2HD1 LEU 110 2HD1 LEU 110 -7.080 11.699 -3.656 901 3HD1 LEU 110 3HD1 LEU 110 -7.057 9.937 -3.740 902 1HD2 LEU 110 1HD2 LEU 110 -4.567 10.013 -3.155 903 2HD2 LEU 110 2HD2 LEU 110 -4.708 11.770 -3.079 904 3HD2 LEU 110 3HD2 LEU 110 -3.502 11.027 -4.129 905 H GLU 111 H GLU 111 -6.638 11.628 -8.649 906 HA GLU 111 HA GLU 111 -8.637 12.070 -9.615 907 1HB GLU 111 1HB GLU 111 -8.880 9.488 -9.529 908 2HB GLU 111 2HB GLU 111 -9.958 9.798 -8.175 909 1HG GLU 111 1HG GLU 111 -11.309 11.250 -9.630 910 2HG GLU 111 2HG GLU 111 -10.263 10.827 -10.981 911 H HIS 112 H HIS 112 -8.854 11.075 -6.217 912 HA HIS 112 HA HIS 112 -9.658 12.132 -4.371 913 1HB HIS 112 1HB HIS 112 -9.776 14.556 -6.184 914 2HB HIS 112 2HB HIS 112 -10.085 14.594 -4.458 915 HD1 HIS 112 HD1 HIS 112 -8.107 15.013 -2.995 916 HD2 HIS 112 HD2 HIS 112 -7.035 13.746 -6.802 917 HE1 HIS 112 HE1 HIS 112 -5.600 15.194 -3.082 918 H HIS 113 H HIS 113 -11.530 11.004 -4.072 919 HA HIS 113 HA HIS 113 -13.876 11.712 -5.641 920 1HB HIS 113 1HB HIS 113 -13.384 9.550 -3.597 921 2HB HIS 113 2HB HIS 113 -14.960 9.841 -4.327 922 HD1 HIS 113 HD1 HIS 113 -13.399 7.149 -4.709 923 HD2 HIS 113 HD2 HIS 113 -13.376 10.348 -7.374 924 HE1 HIS 113 HE1 HIS 113 -12.787 6.174 -6.949 925 H HIS 114 H HIS 114 -12.572 12.264 -2.460 926 HA HIS 114 HA HIS 114 -14.862 13.974 -1.918 927 1HB HIS 114 1HB HIS 114 -14.128 11.605 -0.250 928 2HB HIS 114 2HB HIS 114 -14.782 13.041 0.530 929 HD1 HIS 114 HD1 HIS 114 -15.854 9.950 -0.903 930 HD2 HIS 114 HD2 HIS 114 -17.352 13.835 -0.827 931 HE1 HIS 114 HE1 HIS 114 -18.300 9.752 -1.474 932 H HIS 115 H HIS 115 -13.759 15.797 -1.956 933 HA HIS 115 HA HIS 115 -11.620 16.172 0.035 934 1HB HIS 115 1HB HIS 115 -11.250 16.937 -2.341 935 2HB HIS 115 2HB HIS 115 -12.557 18.091 -2.115 936 HD1 HIS 115 HD1 HIS 115 -11.953 20.307 -1.083 937 HD2 HIS 115 HD2 HIS 115 -8.945 17.459 -0.668 938 HE1 HIS 115 HE1 HIS 115 -9.963 21.546 -0.163 939 H HIS 116 H HIS 116 -14.883 16.508 -0.562 940 HA HIS 116 HA HIS 116 -15.235 18.317 1.729 941 1HB HIS 116 1HB HIS 116 -15.789 19.475 -0.387 942 2HB HIS 116 2HB HIS 116 -16.929 18.196 -0.782 943 HD1 HIS 116 HD1 HIS 116 -19.272 18.450 0.085 944 HD2 HIS 116 HD2 HIS 116 -16.594 21.099 1.862 945 HE1 HIS 116 HE1 HIS 116 -20.677 20.014 1.469 946 H HIS 117 H HIS 117 -16.898 17.773 3.141 947 HA HIS 117 HA HIS 117 -17.884 15.033 2.896 948 1HB HIS 117 1HB HIS 117 -17.922 16.976 5.213 949 2HB HIS 117 2HB HIS 117 -18.627 15.366 5.270 950 HD1 HIS 117 HD1 HIS 117 -15.798 16.965 6.461 951 HD2 HIS 117 HD2 HIS 117 -16.345 13.449 4.308 952 HE1 HIS 117 HE1 HIS 117 -13.732 15.594 6.867 Start of MODEL 15 1 HA LEU 1 HA LEU 1 2.647 1.787 0.648 2 1HB LEU 1 1HB LEU 1 0.197 1.779 -0.138 3 2HB LEU 1 2HB LEU 1 0.464 3.443 -0.611 4 HG LEU 1 HG LEU 1 2.239 2.717 -2.152 5 1HD1 LEU 1 1HD1 LEU 1 2.546 0.338 -2.617 6 2HD1 LEU 1 2HD1 LEU 1 1.422 -0.066 -1.320 7 3HD1 LEU 1 3HD1 LEU 1 2.957 0.719 -0.945 8 1HD2 LEU 1 1HD2 LEU 1 -0.372 1.251 -2.529 9 2HD2 LEU 1 2HD2 LEU 1 0.786 1.656 -3.794 10 3HD2 LEU 1 3HD2 LEU 1 -0.070 2.940 -2.940 11 H ASN 2 H ASN 2 4.397 2.807 -0.089 12 HA ASN 2 HA ASN 2 4.342 5.735 -0.254 13 1HB ASN 2 1HB ASN 2 5.355 5.154 1.888 14 2HB ASN 2 2HB ASN 2 6.473 4.057 1.083 15 1HD2 ASN 2 2HD2 ASN 2 5.539 7.410 1.445 16 2HD2 ASN 2 1HD2 ASN 2 7.080 8.073 1.005 17 H ILE 3 H ILE 3 5.342 6.565 -2.001 18 HA ILE 3 HA ILE 3 6.293 4.645 -3.983 19 HB ILE 3 HB ILE 3 4.553 6.283 -4.609 20 1HG1 ILE 3 1HG1 ILE 3 7.165 6.720 -6.070 21 2HG1 ILE 3 2HG1 ILE 3 6.066 5.370 -6.332 22 1HG2 ILE 3 1HG2 ILE 3 5.229 8.134 -3.198 23 2HG2 ILE 3 2HG2 ILE 3 5.130 8.650 -4.883 24 3HG2 ILE 3 3HG2 ILE 3 6.701 8.342 -4.146 25 1HD1 ILE 3 1HD1 ILE 3 5.415 8.267 -6.811 26 2HD1 ILE 3 2HD1 ILE 3 4.354 6.892 -7.120 27 3HD1 ILE 3 3HD1 ILE 3 5.842 7.087 -8.048 28 H GLU 4 H GLU 4 7.587 6.726 -1.690 29 HA GLU 4 HA GLU 4 9.922 7.570 -3.133 30 1HB GLU 4 1HB GLU 4 9.477 7.557 -0.144 31 2HB GLU 4 2HB GLU 4 10.625 8.541 -1.042 32 1HG GLU 4 1HG GLU 4 8.844 9.800 -2.043 33 2HG GLU 4 2HG GLU 4 7.636 8.737 -1.321 34 H ARG 5 H ARG 5 8.948 4.670 -1.923 35 HA ARG 5 HA ARG 5 11.708 3.759 -1.454 36 1HB ARG 5 1HB ARG 5 10.608 1.804 -0.267 37 2HB ARG 5 2HB ARG 5 10.500 3.355 0.553 38 1HG ARG 5 1HG ARG 5 8.228 3.624 -0.074 39 2HG ARG 5 2HG ARG 5 8.305 2.249 -1.176 40 1HD ARG 5 1HD ARG 5 8.790 1.982 1.778 41 2HD ARG 5 2HD ARG 5 7.177 1.872 1.076 42 HE ARG 5 HE ARG 5 8.260 0.015 -0.340 43 1HH1 ARG 5 1HH1 ARG 5 9.107 0.757 2.970 44 2HH1 ARG 5 2HH1 ARG 5 9.568 -0.877 3.355 45 1HH2 ARG 5 1HH2 ARG 5 8.822 -2.156 0.164 46 2HH2 ARG 5 2HH2 ARG 5 9.400 -2.537 1.759 47 H LEU 6 H LEU 6 9.689 4.059 -3.815 48 HA LEU 6 HA LEU 6 9.523 1.378 -4.831 49 1HB LEU 6 1HB LEU 6 7.816 3.010 -5.406 50 2HB LEU 6 2HB LEU 6 9.022 4.056 -6.133 51 HG LEU 6 HG LEU 6 9.447 2.372 -7.854 52 1HD1 LEU 6 1HD1 LEU 6 8.882 0.377 -6.574 53 2HD1 LEU 6 2HD1 LEU 6 7.971 0.441 -8.082 54 3HD1 LEU 6 3HD1 LEU 6 7.186 0.860 -6.559 55 1HD2 LEU 6 1HD2 LEU 6 7.349 2.639 -9.068 56 2HD2 LEU 6 2HD2 LEU 6 7.799 4.132 -8.240 57 3HD2 LEU 6 3HD2 LEU 6 6.538 3.095 -7.571 58 H THR 7 H THR 7 11.487 0.474 -5.166 59 HA THR 7 HA THR 7 13.650 2.067 -6.296 60 HB THR 7 HB THR 7 14.978 -0.058 -5.816 61 HG1 THR 7 HG1 THR 7 13.980 -1.694 -4.803 62 1HG2 THR 7 1HG2 THR 7 15.011 1.881 -4.314 63 2HG2 THR 7 2HG2 THR 7 15.074 0.372 -3.404 64 3HG2 THR 7 3HG2 THR 7 13.566 1.281 -3.502 65 H THR 8 H THR 8 11.694 -0.780 -7.094 66 HA THR 8 HA THR 8 12.850 -0.795 -9.784 67 HB THR 8 HB THR 8 14.131 -2.409 -8.399 68 HG1 THR 8 HG1 THR 8 14.221 -3.186 -10.372 69 1HG2 THR 8 1HG2 THR 8 11.497 -3.861 -8.151 70 2HG2 THR 8 2HG2 THR 8 12.352 -3.044 -6.844 71 3HG2 THR 8 3HG2 THR 8 13.069 -4.460 -7.614 72 H LEU 9 H LEU 9 11.600 -2.298 -11.260 73 HA LEU 9 HA LEU 9 8.735 -2.072 -10.600 74 1HB LEU 9 1HB LEU 9 10.097 -2.157 -13.298 75 2HB LEU 9 2HB LEU 9 8.362 -2.160 -13.066 76 HG LEU 9 HG LEU 9 8.865 0.040 -13.639 77 1HD1 LEU 9 1HD1 LEU 9 8.406 1.370 -11.665 78 2HD1 LEU 9 2HD1 LEU 9 8.838 0.009 -10.629 79 3HD1 LEU 9 3HD1 LEU 9 7.422 -0.095 -11.676 80 1HD2 LEU 9 1HD2 LEU 9 10.677 1.344 -12.659 81 2HD2 LEU 9 2HD2 LEU 9 11.278 -0.108 -13.458 82 3HD2 LEU 9 3HD2 LEU 9 11.163 -0.055 -11.700 83 H GLN 10 H GLN 10 10.482 -4.301 -9.836 84 HA GLN 10 HA GLN 10 10.379 -6.506 -11.471 85 1HB GLN 10 1HB GLN 10 11.615 -6.455 -9.360 86 2HB GLN 10 2HB GLN 10 10.106 -6.477 -8.461 87 1HG GLN 10 1HG GLN 10 11.180 -8.665 -8.512 88 2HG GLN 10 2HG GLN 10 9.600 -8.686 -9.292 89 1HE2 GLN 10 2HE2 GLN 10 9.453 -9.084 -11.482 90 2HE2 GLN 10 1HE2 GLN 10 10.803 -9.617 -12.431 91 HA PRO 11 HA PRO 11 5.985 -7.734 -9.622 92 1HB PRO 11 1HB PRO 11 4.928 -5.001 -9.133 93 2HB PRO 11 2HB PRO 11 4.669 -6.489 -8.214 94 1HG PRO 11 1HG PRO 11 6.272 -4.583 -7.274 95 2HG PRO 11 2HG PRO 11 6.687 -6.297 -7.081 96 1HD PRO 11 1HD PRO 11 7.773 -4.289 -9.015 97 2HD PRO 11 2HD PRO 11 8.618 -5.566 -8.119 98 H VAL 12 H VAL 12 6.705 -4.866 -11.480 99 HA VAL 12 HA VAL 12 4.360 -5.034 -13.150 100 HB VAL 12 HB VAL 12 6.913 -3.478 -13.612 101 1HG1 VAL 12 1HG1 VAL 12 4.164 -3.161 -14.811 102 2HG1 VAL 12 2HG1 VAL 12 5.598 -3.771 -15.639 103 3HG1 VAL 12 3HG1 VAL 12 5.540 -2.093 -15.094 104 1HG2 VAL 12 1HG2 VAL 12 5.904 -2.833 -11.505 105 2HG2 VAL 12 2HG2 VAL 12 4.343 -2.617 -12.295 106 3HG2 VAL 12 3HG2 VAL 12 5.690 -1.553 -12.701 107 H TRP 13 H TRP 13 7.797 -5.863 -13.390 108 HA TRP 13 HA TRP 13 7.787 -6.782 -16.039 109 1HB TRP 13 1HB TRP 13 9.495 -7.770 -13.744 110 2HB TRP 13 2HB TRP 13 9.829 -8.019 -15.453 111 HD1 TRP 13 HD1 TRP 13 11.385 -6.190 -12.988 112 HE1 TRP 13 HE1 TRP 13 12.244 -3.875 -13.727 113 HE3 TRP 13 HE3 TRP 13 8.607 -5.612 -17.247 114 HZ2 TRP 13 HZ2 TRP 13 11.801 -2.055 -15.833 115 HZ3 TRP 13 HZ3 TRP 13 8.887 -3.554 -18.565 116 HH2 TRP 13 HH2 TRP 13 10.452 -1.815 -17.870 117 H ASP 14 H ASP 14 6.994 -8.367 -13.003 118 HA ASP 14 HA ASP 14 6.571 -10.972 -13.893 119 1HB ASP 14 1HB ASP 14 5.352 -9.313 -11.714 120 2HB ASP 14 2HB ASP 14 4.690 -10.905 -12.067 121 H ARG 15 H ARG 15 4.288 -8.257 -13.773 122 HA ARG 15 HA ARG 15 2.154 -9.761 -14.911 123 1HB ARG 15 1HB ARG 15 2.529 -6.805 -14.456 124 2HB ARG 15 2HB ARG 15 1.062 -7.488 -15.143 125 1HG ARG 15 1HG ARG 15 0.746 -8.820 -13.107 126 2HG ARG 15 2HG ARG 15 2.201 -8.091 -12.424 127 1HD ARG 15 1HD ARG 15 1.187 -5.907 -12.485 128 2HD ARG 15 2HD ARG 15 -0.233 -6.554 -13.310 129 HE ARG 15 HE ARG 15 0.047 -7.965 -10.932 130 1HH1 ARG 15 1HH1 ARG 15 -0.576 -4.667 -11.934 131 2HH1 ARG 15 2HH1 ARG 15 -1.521 -4.289 -10.531 132 1HH2 ARG 15 1HH2 ARG 15 -1.200 -7.465 -9.089 133 2HH2 ARG 15 2HH2 ARG 15 -1.879 -5.873 -8.913 134 H TYR 16 H TYR 16 4.737 -7.847 -16.222 135 HA TYR 16 HA TYR 16 3.653 -7.314 -18.775 136 1HB TYR 16 1HB TYR 16 5.718 -6.268 -17.788 137 2HB TYR 16 2HB TYR 16 6.567 -7.776 -18.103 138 HD1 TYR 16 HD1 TYR 16 8.003 -7.593 -19.901 139 HD2 TYR 16 HD2 TYR 16 4.252 -5.603 -20.079 140 HE1 TYR 16 HE1 TYR 16 8.539 -6.793 -22.165 141 HE2 TYR 16 HE2 TYR 16 4.771 -4.808 -22.346 142 HH TYR 16 HH TYR 16 6.695 -4.390 -23.749 143 H ASP 17 H ASP 17 5.804 -9.955 -17.711 144 HA ASP 17 HA ASP 17 5.679 -11.383 -20.148 145 1HB ASP 17 1HB ASP 17 7.389 -11.838 -18.431 146 2HB ASP 17 2HB ASP 17 6.142 -12.451 -17.352 147 H THR 18 H THR 18 3.732 -11.429 -17.227 148 HA THR 18 HA THR 18 2.158 -13.676 -17.820 149 HB THR 18 HB THR 18 1.448 -11.246 -16.153 150 HG1 THR 18 HG1 THR 18 3.170 -12.114 -15.161 151 1HG2 THR 18 1HG2 THR 18 -0.517 -12.610 -16.732 152 2HG2 THR 18 2HG2 THR 18 -0.132 -12.713 -15.015 153 3HG2 THR 18 3HG2 THR 18 0.299 -14.039 -16.097 154 H GLN 19 H GLN 19 1.673 -10.244 -18.569 155 HA GLN 19 HA GLN 19 -0.832 -10.521 -19.837 156 1HB GLN 19 1HB GLN 19 1.162 -8.489 -19.435 157 2HB GLN 19 2HB GLN 19 0.636 -8.486 -21.109 158 1HG GLN 19 1HG GLN 19 -1.239 -8.360 -18.766 159 2HG GLN 19 2HG GLN 19 -0.600 -6.939 -19.586 160 1HE2 GLN 19 2HE2 GLN 19 -0.710 -8.161 -22.243 161 2HE2 GLN 19 1HE2 GLN 19 -2.390 -8.202 -22.657 162 H ILE 20 H ILE 20 2.456 -10.448 -21.053 163 HA ILE 20 HA ILE 20 1.896 -10.653 -23.769 164 HB ILE 20 HB ILE 20 4.274 -11.242 -22.066 165 1HG1 ILE 20 1HG1 ILE 20 3.725 -9.216 -24.241 166 2HG1 ILE 20 2HG1 ILE 20 3.682 -8.920 -22.505 167 1HG2 ILE 20 1HG2 ILE 20 4.395 -12.887 -23.869 168 2HG2 ILE 20 2HG2 ILE 20 5.630 -11.643 -24.073 169 3HG2 ILE 20 3HG2 ILE 20 4.173 -11.609 -25.065 170 1HD1 ILE 20 1HD1 ILE 20 6.062 -9.374 -22.351 171 2HD1 ILE 20 2HD1 ILE 20 5.737 -8.095 -23.520 172 3HD1 ILE 20 3HD1 ILE 20 6.118 -9.723 -24.077 173 H HIS 21 H HIS 21 2.614 -13.251 -21.414 174 HA HIS 21 HA HIS 21 2.481 -15.224 -23.510 175 1HB HIS 21 1HB HIS 21 3.253 -16.793 -21.969 176 2HB HIS 21 2HB HIS 21 4.015 -15.307 -21.448 177 HD1 HIS 21 HD1 HIS 21 3.086 -18.077 -19.880 178 HD2 HIS 21 HD2 HIS 21 1.646 -14.190 -19.478 179 HE1 HIS 21 HE1 HIS 21 2.109 -17.957 -17.569 180 H ASN 22 H ASN 22 0.255 -13.866 -21.246 181 HA ASN 22 HA ASN 22 -1.727 -15.870 -22.094 182 1HB ASN 22 1HB ASN 22 -1.519 -14.344 -19.503 183 2HB ASN 22 2HB ASN 22 -3.042 -15.046 -20.038 184 1HD2 ASN 22 2HD2 ASN 22 -1.748 -17.342 -21.291 185 2HD2 ASN 22 1HD2 ASN 22 -1.238 -18.368 -19.995 186 H GLN 23 H GLN 23 -1.986 -14.654 -24.005 187 HA GLN 23 HA GLN 23 -2.816 -11.888 -23.825 188 1HB GLN 23 1HB GLN 23 -1.388 -13.177 -25.668 189 2HB GLN 23 2HB GLN 23 -2.976 -13.403 -26.379 190 1HG GLN 23 1HG GLN 23 -2.283 -11.467 -27.393 191 2HG GLN 23 2HG GLN 23 -3.200 -10.839 -26.025 192 1HE2 GLN 23 2HE2 GLN 23 -2.083 -9.895 -24.296 193 2HE2 GLN 23 1HE2 GLN 23 -0.441 -9.369 -24.439 194 H LYS 24 H LYS 24 -4.770 -12.064 -22.716 195 HA LYS 24 HA LYS 24 -6.920 -13.644 -23.836 196 1HB LYS 24 1HB LYS 24 -6.776 -11.765 -21.484 197 2HB LYS 24 2HB LYS 24 -8.277 -12.516 -22.005 198 1HG LYS 24 1HG LYS 24 -5.801 -13.905 -21.005 199 2HG LYS 24 2HG LYS 24 -7.367 -13.788 -20.199 200 1HD LYS 24 1HD LYS 24 -8.265 -14.948 -22.344 201 2HD LYS 24 2HD LYS 24 -6.581 -15.412 -22.588 202 1HE LYS 24 1HE LYS 24 -7.711 -17.183 -21.426 203 2HE LYS 24 2HE LYS 24 -6.583 -16.407 -20.312 204 1HZ LYS 24 1HZ LYS 24 -8.852 -16.883 -19.394 205 2HZ LYS 24 2HZ LYS 24 -9.460 -15.705 -20.452 206 3HZ LYS 24 3HZ LYS 24 -8.346 -15.272 -19.249 207 H ASP 25 H ASP 25 -5.586 -10.928 -24.854 208 HA ASP 25 HA ASP 25 -6.178 -9.251 -26.248 209 1HB ASP 25 1HB ASP 25 -7.402 -11.054 -27.434 210 2HB ASP 25 2HB ASP 25 -8.831 -10.688 -26.471 211 H ASN 26 H ASN 26 -6.103 -7.597 -24.811 212 HA ASN 26 HA ASN 26 -8.505 -6.983 -23.251 213 1HB ASN 26 1HB ASN 26 -6.466 -7.124 -21.942 214 2HB ASN 26 2HB ASN 26 -5.659 -5.984 -23.011 215 1HD2 ASN 26 2HD2 ASN 26 -5.178 -4.600 -21.352 216 2HD2 ASN 26 1HD2 ASN 26 -6.379 -3.617 -20.582 217 H ASP 27 H ASP 27 -9.869 -5.620 -24.147 218 HA ASP 27 HA ASP 27 -8.890 -3.087 -25.159 219 1HB ASP 27 1HB ASP 27 -8.944 -4.195 -27.252 220 2HB ASP 27 2HB ASP 27 -10.449 -5.022 -26.866 221 H ASN 28 H ASN 28 -10.297 -1.446 -24.882 222 HA ASN 28 HA ASN 28 -12.966 -2.073 -23.823 223 1HB ASN 28 1HB ASN 28 -10.930 -0.151 -22.674 224 2HB ASN 28 2HB ASN 28 -12.638 -0.084 -22.262 225 1HD2 ASN 28 2HD2 ASN 28 -9.677 -1.874 -21.945 226 2HD2 ASN 28 1HD2 ASN 28 -10.207 -2.925 -20.682 227 H GLU 29 H GLU 29 -12.142 -1.373 -26.460 228 HA GLU 29 HA GLU 29 -12.760 -0.060 -28.194 229 1HB GLU 29 1HB GLU 29 -14.572 1.208 -26.136 230 2HB GLU 29 2HB GLU 29 -14.601 1.606 -27.849 231 1HG GLU 29 1HG GLU 29 -15.147 -0.730 -28.363 232 2HG GLU 29 2HG GLU 29 -15.168 -1.089 -26.638 233 H VAL 30 H VAL 30 -10.436 0.527 -26.832 234 HA VAL 30 HA VAL 30 -10.335 3.454 -26.633 235 HB VAL 30 HB VAL 30 -8.007 1.624 -26.104 236 1HG1 VAL 30 1HG1 VAL 30 -7.556 4.010 -26.192 237 2HG1 VAL 30 2HG1 VAL 30 -7.331 3.389 -24.558 238 3HG1 VAL 30 3HG1 VAL 30 -8.787 4.300 -24.963 239 1HG2 VAL 30 1HG2 VAL 30 -9.879 0.730 -24.807 240 2HG2 VAL 30 2HG2 VAL 30 -10.158 2.327 -24.112 241 3HG2 VAL 30 3HG2 VAL 30 -8.661 1.462 -23.760 242 HA PRO 31 HA PRO 31 -8.556 3.676 -30.715 243 1HB PRO 31 1HB PRO 31 -7.522 6.298 -30.010 244 2HB PRO 31 2HB PRO 31 -8.799 5.863 -31.142 245 1HG PRO 31 1HG PRO 31 -9.277 7.144 -28.801 246 2HG PRO 31 2HG PRO 31 -10.445 6.055 -29.568 247 1HD PRO 31 1HD PRO 31 -8.591 5.530 -27.276 248 2HD PRO 31 2HD PRO 31 -10.278 5.020 -27.506 249 H VAL 32 H VAL 32 -6.989 2.202 -29.073 250 HA VAL 32 HA VAL 32 -4.376 2.903 -30.065 251 HB VAL 32 HB VAL 32 -4.417 4.089 -27.935 252 1HG1 VAL 32 1HG1 VAL 32 -6.029 2.743 -26.720 253 2HG1 VAL 32 2HG1 VAL 32 -4.531 2.894 -25.801 254 3HG1 VAL 32 3HG1 VAL 32 -4.889 1.397 -26.664 255 1HG2 VAL 32 1HG2 VAL 32 -2.386 3.118 -26.939 256 2HG2 VAL 32 2HG2 VAL 32 -2.293 3.210 -28.697 257 3HG2 VAL 32 3HG2 VAL 32 -2.620 1.666 -27.910 258 H HIS 33 H HIS 33 -3.682 1.197 -30.997 259 HA HIS 33 HA HIS 33 -3.565 -1.337 -29.677 260 1HB HIS 33 1HB HIS 33 -4.771 -2.512 -31.606 261 2HB HIS 33 2HB HIS 33 -5.763 -1.725 -30.395 262 HD1 HIS 33 HD1 HIS 33 -5.285 -1.975 -33.980 263 HD2 HIS 33 HD2 HIS 33 -6.778 0.877 -31.342 264 HE1 HIS 33 HE1 HIS 33 -6.634 -0.382 -35.382 265 H GLN 34 H GLN 34 -3.072 0.630 -32.538 266 HA GLN 34 HA GLN 34 -0.618 -0.911 -33.036 267 1HB GLN 34 1HB GLN 34 -2.165 0.906 -34.883 268 2HB GLN 34 2HB GLN 34 -0.601 0.205 -35.277 269 1HG GLN 34 1HG GLN 34 -1.520 -2.016 -35.189 270 2HG GLN 34 2HG GLN 34 -3.073 -1.389 -34.639 271 1HE2 GLN 34 2HE2 GLN 34 -4.168 -2.280 -36.366 272 2HE2 GLN 34 1HE2 GLN 34 -4.055 -1.621 -37.968 273 H VAL 35 H VAL 35 -2.017 2.014 -32.157 274 HA VAL 35 HA VAL 35 -1.244 3.792 -31.002 275 HB VAL 35 HB VAL 35 1.488 2.518 -31.142 276 1HG1 VAL 35 1HG1 VAL 35 1.967 3.885 -29.171 277 2HG1 VAL 35 2HG1 VAL 35 0.362 4.607 -29.284 278 3HG1 VAL 35 3HG1 VAL 35 1.543 4.885 -30.561 279 1HG2 VAL 35 1HG2 VAL 35 -0.648 2.288 -29.023 280 2HG2 VAL 35 2HG2 VAL 35 0.994 1.654 -28.901 281 3HG2 VAL 35 3HG2 VAL 35 -0.114 1.003 -30.109 282 H SER 36 H SER 36 -0.581 5.828 -31.463 283 HA SER 36 HA SER 36 0.782 6.242 -34.036 284 1HB SER 36 1HB SER 36 -1.601 7.062 -33.839 285 2HB SER 36 2HB SER 36 -1.050 8.180 -32.596 286 HG SER 36 HG SER 36 -1.071 8.572 -35.178 287 H TYR 37 H TYR 37 2.015 8.404 -34.068 288 HA TYR 37 HA TYR 37 4.072 8.311 -32.192 289 1HB TYR 37 1HB TYR 37 4.406 9.319 -34.369 290 2HB TYR 37 2HB TYR 37 3.230 10.577 -34.010 291 HD1 TYR 37 HD1 TYR 37 6.566 9.266 -33.054 292 HD2 TYR 37 HD2 TYR 37 3.874 12.558 -32.903 293 HE1 TYR 37 HE1 TYR 37 8.367 10.692 -32.167 294 HE2 TYR 37 HE2 TYR 37 5.663 13.990 -32.017 295 HH TYR 37 HH TYR 37 8.945 13.065 -32.024 296 H THR 38 H THR 38 1.362 10.603 -32.411 297 HA THR 38 HA THR 38 1.981 12.202 -30.227 298 HB THR 38 HB THR 38 -0.815 11.464 -31.110 299 HG1 THR 38 HG1 THR 38 -0.563 12.799 -32.783 300 1HG2 THR 38 1HG2 THR 38 0.298 13.978 -29.855 301 2HG2 THR 38 2HG2 THR 38 -0.680 12.763 -29.031 302 3HG2 THR 38 3HG2 THR 38 -1.378 13.717 -30.341 303 H ASN 39 H ASN 39 0.088 9.211 -30.368 304 HA ASN 39 HA ASN 39 -0.820 9.180 -27.723 305 1HB ASN 39 1HB ASN 39 -0.883 7.442 -29.965 306 2HB ASN 39 2HB ASN 39 -0.269 6.504 -28.607 307 1HD2 ASN 39 2HD2 ASN 39 -2.494 9.191 -28.353 308 2HD2 ASN 39 1HD2 ASN 39 -3.844 8.267 -27.805 309 H LEU 40 H LEU 40 2.093 7.654 -29.126 310 HA LEU 40 HA LEU 40 3.000 6.627 -26.658 311 1HB LEU 40 1HB LEU 40 4.343 7.165 -29.279 312 2HB LEU 40 2HB LEU 40 5.290 6.687 -27.884 313 HG LEU 40 HG LEU 40 3.059 5.089 -29.141 314 1HD1 LEU 40 1HD1 LEU 40 5.066 5.075 -30.492 315 2HD1 LEU 40 2HD1 LEU 40 4.851 3.510 -29.706 316 3HD1 LEU 40 3HD1 LEU 40 6.040 4.654 -29.083 317 1HD2 LEU 40 1HD2 LEU 40 3.651 3.343 -27.560 318 2HD2 LEU 40 2HD2 LEU 40 3.142 4.803 -26.710 319 3HD2 LEU 40 3HD2 LEU 40 4.857 4.398 -26.821 320 H ALA 41 H ALA 41 3.745 9.637 -28.375 321 HA ALA 41 HA ALA 41 5.703 10.615 -26.647 322 1HB ALA 41 1HB ALA 41 3.635 12.201 -28.166 323 2HB ALA 41 2HB ALA 41 5.169 11.623 -28.815 324 3HB ALA 41 3HB ALA 41 5.156 12.821 -27.521 325 H GLU 42 H GLU 42 2.196 10.838 -26.494 326 HA GLU 42 HA GLU 42 2.031 12.494 -24.215 327 1HB GLU 42 1HB GLU 42 0.145 10.657 -25.648 328 2HB GLU 42 2HB GLU 42 -0.337 11.387 -24.126 329 1HG GLU 42 1HG GLU 42 0.529 12.866 -26.602 330 2HG GLU 42 2HG GLU 42 -1.130 12.674 -26.035 331 H MET 43 H MET 43 1.756 8.956 -24.574 332 HA MET 43 HA MET 43 1.359 8.509 -21.799 333 1HB MET 43 1HB MET 43 2.073 6.676 -24.076 334 2HB MET 43 2HB MET 43 1.912 6.094 -22.424 335 1HG MET 43 1HG MET 43 -0.387 6.887 -22.353 336 2HG MET 43 2HG MET 43 -0.232 7.508 -23.994 337 1HE MET 43 1HE MET 43 1.302 5.334 -25.588 338 2HE MET 43 2HE MET 43 -0.207 6.058 -26.145 339 3HE MET 43 3HE MET 43 -0.013 4.305 -26.154 340 H VAL 44 H VAL 44 4.231 8.660 -23.811 341 HA VAL 44 HA VAL 44 6.037 7.731 -21.812 342 HB VAL 44 HB VAL 44 6.475 9.501 -24.225 343 1HG1 VAL 44 1HG1 VAL 44 8.883 9.179 -23.887 344 2HG1 VAL 44 2HG1 VAL 44 8.556 8.362 -22.358 345 3HG1 VAL 44 3HG1 VAL 44 8.153 10.069 -22.549 346 1HG2 VAL 44 1HG2 VAL 44 7.182 6.626 -23.653 347 2HG2 VAL 44 2HG2 VAL 44 7.603 7.509 -25.120 348 3HG2 VAL 44 3HG2 VAL 44 5.912 7.195 -24.734 349 H GLY 45 H GLY 45 4.721 10.879 -22.667 350 1HA GLY 45 1HA GLY 45 6.297 12.481 -20.998 351 2HA GLY 45 2HA GLY 45 4.674 12.872 -21.543 352 H GLU 46 H GLU 46 3.181 10.883 -20.324 353 HA GLU 46 HA GLU 46 2.971 11.963 -17.708 354 1HB GLU 46 1HB GLU 46 1.136 10.422 -17.370 355 2HB GLU 46 2HB GLU 46 1.019 11.139 -18.970 356 1HG GLU 46 1HG GLU 46 1.894 9.115 -19.970 357 2HG GLU 46 2HG GLU 46 2.098 8.395 -18.374 358 H MET 47 H MET 47 4.350 8.963 -18.963 359 HA MET 47 HA MET 47 4.703 7.650 -16.508 360 1HB MET 47 1HB MET 47 6.132 7.446 -19.144 361 2HB MET 47 2HB MET 47 6.618 6.475 -17.760 362 1HG MET 47 1HG MET 47 3.865 6.502 -18.972 363 2HG MET 47 2HG MET 47 5.102 5.286 -19.282 364 1HE MET 47 1HE MET 47 2.323 3.568 -17.009 365 2HE MET 47 2HE MET 47 3.073 3.581 -18.605 366 3HE MET 47 3HE MET 47 2.022 4.911 -18.110 367 H ASN 48 H ASN 48 6.767 9.954 -18.207 368 HA ASN 48 HA ASN 48 8.979 9.792 -16.466 369 1HB ASN 48 1HB ASN 48 7.983 11.893 -18.363 370 2HB ASN 48 2HB ASN 48 9.329 12.249 -17.288 371 1HD2 ASN 48 2HD2 ASN 48 8.251 10.384 -20.015 372 2HD2 ASN 48 1HD2 ASN 48 9.819 9.858 -20.518 373 H LYS 49 H LYS 49 5.871 11.205 -16.091 374 HA LYS 49 HA LYS 49 6.793 12.872 -13.852 375 1HB LYS 49 1HB LYS 49 4.152 12.953 -15.317 376 2HB LYS 49 2HB LYS 49 4.725 14.114 -14.127 377 1HG LYS 49 1HG LYS 49 6.561 14.727 -15.621 378 2HG LYS 49 2HG LYS 49 5.964 13.580 -16.815 379 1HD LYS 49 1HD LYS 49 3.849 14.836 -16.934 380 2HD LYS 49 2HD LYS 49 4.507 16.017 -15.797 381 1HE LYS 49 1HE LYS 49 6.305 16.534 -17.371 382 2HE LYS 49 2HE LYS 49 5.665 15.345 -18.501 383 1HZ LYS 49 1HZ LYS 49 4.320 17.838 -17.613 384 2HZ LYS 49 2HZ LYS 49 3.609 16.661 -18.614 385 3HZ LYS 49 3HZ LYS 49 4.967 17.528 -19.150 386 H LEU 50 H LEU 50 5.714 9.870 -14.312 387 HA LEU 50 HA LEU 50 3.856 9.811 -12.056 388 1HB LEU 50 1HB LEU 50 4.707 7.736 -14.064 389 2HB LEU 50 2HB LEU 50 3.741 7.336 -12.656 390 HG LEU 50 HG LEU 50 2.919 9.290 -14.809 391 1HD1 LEU 50 1HD1 LEU 50 3.009 7.008 -15.662 392 2HD1 LEU 50 2HD1 LEU 50 1.341 7.555 -15.500 393 3HD1 LEU 50 3HD1 LEU 50 2.027 6.451 -14.308 394 1HD2 LEU 50 1HD2 LEU 50 0.733 9.197 -13.742 395 2HD2 LEU 50 2HD2 LEU 50 1.955 9.773 -12.609 396 3HD2 LEU 50 3HD2 LEU 50 1.367 8.112 -12.505 397 H LEU 51 H LEU 51 7.164 9.048 -12.800 398 HA LEU 51 HA LEU 51 7.397 7.564 -10.264 399 1HB LEU 51 1HB LEU 51 8.955 7.297 -12.828 400 2HB LEU 51 2HB LEU 51 9.511 6.613 -11.315 401 HG LEU 51 HG LEU 51 7.238 5.376 -11.279 402 1HD1 LEU 51 1HD1 LEU 51 7.406 6.063 -14.212 403 2HD1 LEU 51 2HD1 LEU 51 6.176 6.633 -13.084 404 3HD1 LEU 51 3HD1 LEU 51 6.285 4.917 -13.476 405 1HD2 LEU 51 1HD2 LEU 51 9.352 4.672 -13.311 406 2HD2 LEU 51 2HD2 LEU 51 8.164 3.562 -12.630 407 3HD2 LEU 51 3HD2 LEU 51 9.393 4.287 -11.592 408 H GLU 52 H GLU 52 7.553 10.462 -10.717 409 HA GLU 52 HA GLU 52 10.171 11.412 -10.771 410 1HB GLU 52 1HB GLU 52 7.836 12.661 -9.325 411 2HB GLU 52 2HB GLU 52 9.301 13.467 -9.845 412 1HG GLU 52 1HG GLU 52 8.720 13.132 -12.158 413 2HG GLU 52 2HG GLU 52 7.292 12.210 -11.690 414 HA PRO 53 HA PRO 53 10.413 11.307 -6.036 415 1HB PRO 53 1HB PRO 53 8.446 10.413 -4.484 416 2HB PRO 53 2HB PRO 53 8.348 12.009 -5.237 417 1HG PRO 53 1HG PRO 53 7.033 9.449 -6.043 418 2HG PRO 53 2HG PRO 53 6.367 11.093 -6.023 419 1HD PRO 53 1HD PRO 53 7.365 9.803 -8.270 420 2HD PRO 53 2HD PRO 53 7.184 11.558 -8.097 421 H SER 54 H SER 54 10.154 8.794 -7.959 422 HA SER 54 HA SER 54 10.346 6.671 -5.974 423 1HB SER 54 1HB SER 54 10.519 6.501 -8.992 424 2HB SER 54 2HB SER 54 10.301 5.153 -7.874 425 HG SER 54 HG SER 54 8.372 6.628 -7.222 426 H GLN 55 H GLN 55 12.147 5.038 -6.296 427 HA GLN 55 HA GLN 55 14.685 6.495 -6.507 428 1HB GLN 55 1HB GLN 55 14.124 3.729 -5.422 429 2HB GLN 55 2HB GLN 55 15.665 4.571 -5.344 430 1HG GLN 55 1HG GLN 55 14.534 6.331 -3.990 431 2HG GLN 55 2HG GLN 55 13.111 5.298 -3.940 432 1HE2 GLN 55 2HE2 GLN 55 13.198 5.072 -1.716 433 2HE2 GLN 55 1HE2 GLN 55 14.395 4.086 -0.939 434 H VAL 56 H VAL 56 12.807 5.021 -8.600 435 HA VAL 56 HA VAL 56 14.473 2.997 -9.711 436 HB VAL 56 HB VAL 56 12.247 4.437 -11.137 437 1HG1 VAL 56 1HG1 VAL 56 12.042 2.298 -12.329 438 2HG1 VAL 56 2HG1 VAL 56 13.431 1.685 -11.431 439 3HG1 VAL 56 3HG1 VAL 56 13.627 3.040 -12.544 440 1HG2 VAL 56 1HG2 VAL 56 10.734 2.708 -10.290 441 2HG2 VAL 56 2HG2 VAL 56 11.411 3.673 -8.978 442 3HG2 VAL 56 3HG2 VAL 56 12.038 2.056 -9.297 443 H HIS 57 H HIS 57 13.662 6.297 -10.735 444 HA HIS 57 HA HIS 57 14.658 7.779 -12.133 445 1HB HIS 57 1HB HIS 57 17.096 6.022 -11.777 446 2HB HIS 57 2HB HIS 57 17.093 7.569 -12.610 447 HD1 HIS 57 HD1 HIS 57 17.366 9.633 -11.216 448 HD2 HIS 57 HD2 HIS 57 16.649 6.222 -8.944 449 HE1 HIS 57 HE1 HIS 57 17.748 10.313 -8.824 450 H LEU 58 H LEU 58 13.054 6.660 -13.603 451 HA LEU 58 HA LEU 58 14.342 5.085 -15.698 452 1HB LEU 58 1HB LEU 58 11.453 5.661 -15.088 453 2HB LEU 58 2HB LEU 58 11.960 4.924 -16.597 454 HG LEU 58 HG LEU 58 12.294 3.790 -13.824 455 1HD1 LEU 58 1HD1 LEU 58 10.850 2.010 -14.681 456 2HD1 LEU 58 2HD1 LEU 58 10.695 2.878 -16.210 457 3HD1 LEU 58 3HD1 LEU 58 10.052 3.581 -14.726 458 1HD2 LEU 58 1HD2 LEU 58 13.278 1.833 -14.934 459 2HD2 LEU 58 2HD2 LEU 58 14.269 3.278 -15.144 460 3HD2 LEU 58 3HD2 LEU 58 13.257 2.702 -16.470 461 H LYS 59 H LYS 59 15.020 5.942 -17.472 462 HA LYS 59 HA LYS 59 14.081 8.610 -18.281 463 1HB LYS 59 1HB LYS 59 16.575 7.101 -19.112 464 2HB LYS 59 2HB LYS 59 16.190 8.771 -19.512 465 1HG LYS 59 1HG LYS 59 16.611 9.524 -17.378 466 2HG LYS 59 2HG LYS 59 16.355 7.937 -16.653 467 1HD LYS 59 1HD LYS 59 18.674 8.330 -16.536 468 2HD LYS 59 2HD LYS 59 18.448 7.197 -17.865 469 1HE LYS 59 1HE LYS 59 18.764 8.905 -19.483 470 2HE LYS 59 2HE LYS 59 18.683 10.171 -18.256 471 1HZ LYS 59 1HZ LYS 59 20.729 9.254 -17.277 472 2HZ LYS 59 2HZ LYS 59 20.964 9.788 -18.873 473 3HZ LYS 59 3HZ LYS 59 20.826 8.132 -18.542 474 H PHE 60 H PHE 60 12.443 8.381 -19.685 475 HA PHE 60 HA PHE 60 12.428 6.114 -21.533 476 1HB PHE 60 1HB PHE 60 10.281 8.173 -20.978 477 2HB PHE 60 2HB PHE 60 10.098 6.741 -21.982 478 HD1 PHE 60 HD1 PHE 60 10.037 8.082 -18.640 479 HD2 PHE 60 HD2 PHE 60 10.159 4.485 -20.913 480 HE1 PHE 60 HE1 PHE 60 9.274 6.820 -16.671 481 HE2 PHE 60 HE2 PHE 60 9.403 3.214 -18.945 482 HZ PHE 60 HZ PHE 60 8.956 4.381 -16.824 483 H GLU 61 H GLU 61 13.013 6.333 -23.604 484 HA GLU 61 HA GLU 61 12.770 9.013 -24.813 485 1HB GLU 61 1HB GLU 61 14.719 6.816 -25.525 486 2HB GLU 61 2HB GLU 61 14.526 8.315 -26.416 487 1HG GLU 61 1HG GLU 61 15.127 9.492 -24.244 488 2HG GLU 61 2HG GLU 61 15.658 7.906 -23.674 489 H LEU 62 H LEU 62 11.527 9.193 -26.588 490 HA LEU 62 HA LEU 62 10.481 6.725 -27.778 491 1HB LEU 62 1HB LEU 62 8.786 8.306 -27.004 492 2HB LEU 62 2HB LEU 62 9.502 9.575 -27.978 493 HG LEU 62 HG LEU 62 8.932 8.287 -30.023 494 1HD1 LEU 62 1HD1 LEU 62 7.367 6.429 -29.857 495 2HD1 LEU 62 2HD1 LEU 62 7.456 6.502 -28.097 496 3HD1 LEU 62 3HD1 LEU 62 8.883 6.062 -29.036 497 1HD2 LEU 62 1HD2 LEU 62 6.522 8.739 -29.932 498 2HD2 LEU 62 2HD2 LEU 62 7.469 10.063 -29.254 499 3HD2 LEU 62 3HD2 LEU 62 6.632 8.939 -28.182 500 H HIS 63 H HIS 63 11.814 6.076 -29.353 501 HA HIS 63 HA HIS 63 12.732 8.117 -31.268 502 1HB HIS 63 1HB HIS 63 14.033 5.495 -30.512 503 2HB HIS 63 2HB HIS 63 14.548 6.488 -31.866 504 HD1 HIS 63 HD1 HIS 63 14.983 9.177 -30.921 505 HD2 HIS 63 HD2 HIS 63 15.598 5.944 -28.374 506 HE1 HIS 63 HE1 HIS 63 16.541 10.006 -29.122 507 H ASP 64 H ASP 64 12.314 7.843 -33.380 508 HA ASP 64 HA ASP 64 10.609 5.555 -34.081 509 1HB ASP 64 1HB ASP 64 9.589 6.926 -35.740 510 2HB ASP 64 2HB ASP 64 9.689 7.912 -34.287 511 H LYS 65 H LYS 65 10.870 4.600 -36.146 512 HA LYS 65 HA LYS 65 13.238 5.266 -37.695 513 1HB LYS 65 1HB LYS 65 14.110 2.990 -37.705 514 2HB LYS 65 2HB LYS 65 14.047 3.602 -36.062 515 1HG LYS 65 1HG LYS 65 12.174 2.274 -35.532 516 2HG LYS 65 2HG LYS 65 11.900 1.863 -37.217 517 1HD LYS 65 1HD LYS 65 14.441 1.110 -35.811 518 2HD LYS 65 2HD LYS 65 12.999 0.094 -35.728 519 1HE LYS 65 1HE LYS 65 14.309 1.006 -38.288 520 2HE LYS 65 2HE LYS 65 14.587 -0.560 -37.529 521 1HZ LYS 65 1HZ LYS 65 12.298 -1.133 -37.836 522 2HZ LYS 65 2HZ LYS 65 12.913 -0.609 -39.326 523 3HZ LYS 65 3HZ LYS 65 11.918 0.415 -38.411 524 H LEU 66 H LEU 66 12.459 5.469 -39.667 525 HA LEU 66 HA LEU 66 11.567 4.908 -41.679 526 1HB LEU 66 1HB LEU 66 12.566 2.611 -40.793 527 2HB LEU 66 2HB LEU 66 10.875 2.162 -40.741 528 HG LEU 66 HG LEU 66 12.300 3.140 -43.222 529 1HD1 LEU 66 1HD1 LEU 66 12.204 0.815 -43.966 530 2HD1 LEU 66 2HD1 LEU 66 11.552 0.338 -42.398 531 3HD1 LEU 66 3HD1 LEU 66 13.185 0.991 -42.512 532 1HD2 LEU 66 1HD2 LEU 66 9.577 1.884 -42.875 533 2HD2 LEU 66 2HD2 LEU 66 10.325 2.344 -44.404 534 3HD2 LEU 66 3HD2 LEU 66 9.890 3.583 -43.227 535 H ASN 67 H ASN 67 9.589 2.772 -39.643 536 HA ASN 67 HA ASN 67 7.227 4.351 -40.415 537 1HB ASN 67 1HB ASN 67 7.418 2.306 -41.813 538 2HB ASN 67 2HB ASN 67 7.402 1.330 -40.350 539 1HD2 ASN 67 2HD2 ASN 67 5.570 0.225 -40.842 540 2HD2 ASN 67 1HD2 ASN 67 3.997 0.952 -40.875 541 H GLU 68 H GLU 68 8.942 2.580 -37.954 542 HA GLU 68 HA GLU 68 6.554 2.732 -36.239 543 1HB GLU 68 1HB GLU 68 7.436 0.819 -34.978 544 2HB GLU 68 2HB GLU 68 7.060 0.434 -36.650 545 1HG GLU 68 1HG GLU 68 9.841 1.220 -36.003 546 2HG GLU 68 2HG GLU 68 9.270 -0.358 -35.481 547 H TYR 69 H TYR 69 6.865 3.088 -34.000 548 HA TYR 69 HA TYR 69 9.424 4.319 -33.251 549 1HB TYR 69 1HB TYR 69 7.447 5.635 -31.749 550 2HB TYR 69 2HB TYR 69 8.416 6.316 -33.050 551 HD1 TYR 69 HD1 TYR 69 5.200 4.576 -32.354 552 HD2 TYR 69 HD2 TYR 69 7.419 6.995 -35.054 553 HE1 TYR 69 HE1 TYR 69 3.165 4.944 -33.690 554 HE2 TYR 69 HE2 TYR 69 5.397 7.366 -36.396 555 HH TYR 69 HH TYR 69 3.255 6.420 -36.812 556 H TYR 70 H TYR 70 10.048 3.977 -31.109 557 HA TYR 70 HA TYR 70 8.346 2.182 -29.537 558 1HB TYR 70 1HB TYR 70 10.601 0.929 -29.038 559 2HB TYR 70 2HB TYR 70 9.669 0.536 -30.478 560 HD1 TYR 70 HD1 TYR 70 10.538 0.914 -32.643 561 HD2 TYR 70 HD2 TYR 70 12.646 2.369 -29.244 562 HE1 TYR 70 HE1 TYR 70 12.466 1.423 -34.068 563 HE2 TYR 70 HE2 TYR 70 14.587 2.884 -30.665 564 HH TYR 70 HH TYR 70 14.416 2.943 -34.046 565 H VAL 71 H VAL 71 9.034 1.943 -27.307 566 HA VAL 71 HA VAL 71 10.118 4.491 -26.325 567 HB VAL 71 HB VAL 71 8.474 2.443 -24.828 568 1HG1 VAL 71 1HG1 VAL 71 9.256 5.269 -24.107 569 2HG1 VAL 71 2HG1 VAL 71 9.872 3.792 -23.363 570 3HG1 VAL 71 3HG1 VAL 71 8.175 4.233 -23.175 571 1HG2 VAL 71 1HG2 VAL 71 6.604 4.002 -25.076 572 2HG2 VAL 71 2HG2 VAL 71 7.186 3.440 -26.644 573 3HG2 VAL 71 3HG2 VAL 71 7.612 5.052 -26.071 574 H LYS 72 H LYS 72 12.116 4.473 -25.609 575 HA LYS 72 HA LYS 72 13.396 1.996 -24.760 576 1HB LYS 72 1HB LYS 72 14.496 4.796 -24.970 577 2HB LYS 72 2HB LYS 72 15.430 3.346 -24.626 578 1HG LYS 72 1HG LYS 72 14.756 2.457 -26.842 579 2HG LYS 72 2HG LYS 72 13.990 4.016 -27.178 580 1HD LYS 72 1HD LYS 72 16.163 4.083 -28.134 581 2HD LYS 72 2HD LYS 72 16.202 5.092 -26.690 582 1HE LYS 72 1HE LYS 72 18.115 3.895 -26.377 583 2HE LYS 72 2HE LYS 72 16.971 2.849 -25.554 584 1HZ LYS 72 1HZ LYS 72 18.595 1.805 -27.208 585 2HZ LYS 72 2HZ LYS 72 17.586 2.448 -28.410 586 3HZ LYS 72 3HZ LYS 72 16.968 1.334 -27.290 587 H VAL 73 H VAL 73 13.393 1.389 -22.696 588 HA VAL 73 HA VAL 73 12.980 3.421 -20.620 589 HB VAL 73 HB VAL 73 12.910 0.401 -20.382 590 1HG1 VAL 73 1HG1 VAL 73 13.521 1.483 -18.294 591 2HG1 VAL 73 2HG1 VAL 73 11.892 0.817 -18.193 592 3HG1 VAL 73 3HG1 VAL 73 12.124 2.551 -18.420 593 1HG2 VAL 73 1HG2 VAL 73 10.476 0.668 -20.185 594 2HG2 VAL 73 2HG2 VAL 73 11.073 1.196 -21.758 595 3HG2 VAL 73 3HG2 VAL 73 10.644 2.389 -20.530 596 H ILE 74 H ILE 74 14.772 4.238 -19.798 597 HA ILE 74 HA ILE 74 17.163 2.525 -19.594 598 HB ILE 74 HB ILE 74 17.043 5.527 -19.960 599 1HG1 ILE 74 1HG1 ILE 74 17.923 3.375 -21.902 600 2HG1 ILE 74 2HG1 ILE 74 16.404 4.259 -21.989 601 1HG2 ILE 74 1HG2 ILE 74 18.970 4.855 -18.641 602 2HG2 ILE 74 2HG2 ILE 74 19.478 5.382 -20.246 603 3HG2 ILE 74 3HG2 ILE 74 19.412 3.662 -19.860 604 1HD1 ILE 74 1HD1 ILE 74 19.159 5.450 -22.248 605 2HD1 ILE 74 2HD1 ILE 74 17.640 6.344 -22.321 606 3HD1 ILE 74 3HD1 ILE 74 18.021 5.150 -23.561 607 H GLU 75 H GLU 75 17.940 2.211 -17.606 608 HA GLU 75 HA GLU 75 16.781 3.678 -15.374 609 1HB GLU 75 1HB GLU 75 16.973 1.250 -15.187 610 2HB GLU 75 2HB GLU 75 18.703 1.341 -15.478 611 1HG GLU 75 1HG GLU 75 18.997 2.555 -13.387 612 2HG GLU 75 2HG GLU 75 17.258 2.492 -13.103 613 H ASP 76 H ASP 76 17.751 5.444 -14.569 614 HA ASP 76 HA ASP 76 20.130 6.437 -15.761 615 1HB ASP 76 1HB ASP 76 18.268 7.848 -14.850 616 2HB ASP 76 2HB ASP 76 18.817 7.435 -13.231 617 H SER 77 H SER 77 19.531 4.577 -12.914 618 HA SER 77 HA SER 77 21.872 5.221 -11.479 619 1HB SER 77 1HB SER 77 20.293 2.644 -11.374 620 2HB SER 77 2HB SER 77 21.334 3.307 -10.111 621 HG SER 77 HG SER 77 18.909 3.675 -10.034 622 H THR 78 H THR 78 21.182 2.752 -13.917 623 HA THR 78 HA THR 78 23.968 1.845 -13.773 624 HB THR 78 HB THR 78 23.044 0.052 -15.403 625 HG1 THR 78 HG1 THR 78 20.560 0.305 -14.234 626 1HG2 THR 78 1HG2 THR 78 22.181 -1.290 -13.516 627 2HG2 THR 78 2HG2 THR 78 22.142 0.165 -12.522 628 3HG2 THR 78 3HG2 THR 78 23.683 -0.456 -13.113 629 H ASN 79 H ASN 79 21.711 3.557 -15.726 630 HA ASN 79 HA ASN 79 21.870 4.764 -17.614 631 1HB ASN 79 1HB ASN 79 24.695 4.542 -16.787 632 2HB ASN 79 2HB ASN 79 24.429 4.956 -18.480 633 1HD2 ASN 79 2HD2 ASN 79 25.463 6.533 -16.170 634 2HD2 ASN 79 1HD2 ASN 79 24.471 7.951 -16.109 635 H GLU 80 H GLU 80 21.621 1.830 -17.637 636 HA GLU 80 HA GLU 80 22.431 1.417 -20.436 637 1HB GLU 80 1HB GLU 80 22.233 -0.990 -20.022 638 2HB GLU 80 2HB GLU 80 23.394 -0.256 -18.925 639 1HG GLU 80 1HG GLU 80 21.798 -0.313 -17.124 640 2HG GLU 80 2HG GLU 80 20.540 -0.894 -18.210 641 H VAL 81 H VAL 81 20.880 0.320 -21.805 642 HA VAL 81 HA VAL 81 18.172 1.214 -21.255 643 HB VAL 81 HB VAL 81 19.162 -0.338 -23.656 644 1HG1 VAL 81 1HG1 VAL 81 16.754 -0.398 -23.373 645 2HG1 VAL 81 2HG1 VAL 81 17.187 0.597 -24.764 646 3HG1 VAL 81 3HG1 VAL 81 16.706 1.362 -23.250 647 1HG2 VAL 81 1HG2 VAL 81 20.419 1.765 -23.376 648 2HG2 VAL 81 2HG2 VAL 81 18.895 2.656 -23.375 649 3HG2 VAL 81 3HG2 VAL 81 19.402 1.771 -24.815 650 H ILE 82 H ILE 82 17.212 -0.041 -19.755 651 HA ILE 82 HA ILE 82 17.806 -2.833 -19.547 652 HB ILE 82 HB ILE 82 16.058 -2.819 -17.735 653 1HG1 ILE 82 1HG1 ILE 82 16.081 0.164 -18.257 654 2HG1 ILE 82 2HG1 ILE 82 14.734 -0.913 -18.603 655 1HG2 ILE 82 1HG2 ILE 82 18.325 -0.837 -17.548 656 2HG2 ILE 82 2HG2 ILE 82 18.414 -2.572 -17.242 657 3HG2 ILE 82 3HG2 ILE 82 17.466 -1.537 -16.175 658 1HD1 ILE 82 1HD1 ILE 82 14.492 -1.406 -16.243 659 2HD1 ILE 82 2HD1 ILE 82 14.410 0.332 -16.531 660 3HD1 ILE 82 3HD1 ILE 82 15.882 -0.384 -15.874 661 H ARG 83 H ARG 83 15.082 -0.955 -20.786 662 HA ARG 83 HA ARG 83 14.059 -3.418 -21.997 663 1HB ARG 83 1HB ARG 83 12.678 -1.819 -19.955 664 2HB ARG 83 2HB ARG 83 11.720 -2.117 -21.398 665 1HG ARG 83 1HG ARG 83 11.184 -3.855 -19.928 666 2HG ARG 83 2HG ARG 83 12.296 -4.570 -21.092 667 1HD ARG 83 1HD ARG 83 14.142 -4.200 -19.482 668 2HD ARG 83 2HD ARG 83 12.959 -3.620 -18.313 669 HE ARG 83 HE ARG 83 11.951 -5.888 -18.454 670 1HH1 ARG 83 1HH1 ARG 83 15.284 -5.405 -19.385 671 2HH1 ARG 83 2HH1 ARG 83 15.779 -7.017 -18.956 672 1HH2 ARG 83 1HH2 ARG 83 12.559 -8.017 -17.931 673 2HH2 ARG 83 2HH2 ARG 83 14.214 -8.520 -18.149 674 H GLU 84 H GLU 84 13.139 -3.156 -23.972 675 HA GLU 84 HA GLU 84 12.606 -0.407 -24.890 676 1HB GLU 84 1HB GLU 84 13.686 -2.662 -26.593 677 2HB GLU 84 2HB GLU 84 13.333 -1.028 -27.136 678 1HG GLU 84 1HG GLU 84 15.072 -0.197 -25.565 679 2HG GLU 84 2HG GLU 84 15.476 -1.875 -25.207 680 H ILE 85 H ILE 85 10.471 -0.225 -25.075 681 HA ILE 85 HA ILE 85 8.925 -2.654 -25.631 682 HB ILE 85 HB ILE 85 8.108 -0.058 -24.317 683 1HG1 ILE 85 1HG1 ILE 85 7.454 -1.725 -22.470 684 2HG1 ILE 85 2HG1 ILE 85 8.429 -2.896 -23.345 685 1HG2 ILE 85 1HG2 ILE 85 6.301 -0.824 -25.758 686 2HG2 ILE 85 2HG2 ILE 85 5.878 -1.014 -24.058 687 3HG2 ILE 85 3HG2 ILE 85 6.367 -2.417 -25.007 688 1HD1 ILE 85 1HD1 ILE 85 10.388 -1.474 -23.068 689 2HD1 ILE 85 2HD1 ILE 85 9.667 -1.894 -21.516 690 3HD1 ILE 85 3HD1 ILE 85 9.407 -0.290 -22.202 691 HA PRO 86 HA PRO 86 7.983 -0.825 -29.638 692 1HB PRO 86 1HB PRO 86 6.713 -2.979 -30.625 693 2HB PRO 86 2HB PRO 86 8.473 -2.946 -30.464 694 1HG PRO 86 1HG PRO 86 6.439 -4.146 -28.612 695 2HG PRO 86 2HG PRO 86 7.922 -4.883 -29.247 696 1HD PRO 86 1HD PRO 86 7.822 -3.783 -26.790 697 2HD PRO 86 2HD PRO 86 9.283 -3.695 -27.794 698 HA PRO 87 HA PRO 87 4.046 0.928 -29.062 699 1HB PRO 87 1HB PRO 87 2.781 0.399 -31.498 700 2HB PRO 87 2HB PRO 87 3.826 1.776 -31.145 701 1HG PRO 87 1HG PRO 87 4.469 -0.793 -32.515 702 2HG PRO 87 2HG PRO 87 5.072 0.841 -32.848 703 1HD PRO 87 1HD PRO 87 6.586 -0.964 -31.581 704 2HD PRO 87 2HD PRO 87 6.628 0.754 -31.128 705 H LYS 88 H LYS 88 3.765 -2.258 -30.638 706 HA LYS 88 HA LYS 88 1.055 -2.582 -29.750 707 1HB LYS 88 1HB LYS 88 1.243 -4.844 -30.747 708 2HB LYS 88 2HB LYS 88 1.673 -3.548 -31.852 709 1HG LYS 88 1HG LYS 88 4.064 -3.994 -31.353 710 2HG LYS 88 2HG LYS 88 3.554 -5.390 -30.400 711 1HD LYS 88 1HD LYS 88 3.001 -4.951 -33.333 712 2HD LYS 88 2HD LYS 88 4.203 -6.052 -32.661 713 1HE LYS 88 1HE LYS 88 2.537 -7.436 -31.714 714 2HE LYS 88 2HE LYS 88 1.277 -6.239 -32.001 715 1HZ LYS 88 1HZ LYS 88 2.778 -7.646 -34.143 716 2HZ LYS 88 2HZ LYS 88 1.458 -6.598 -34.345 717 3HZ LYS 88 3HZ LYS 88 1.237 -8.097 -33.586 718 H ARG 89 H ARG 89 4.111 -3.216 -28.363 719 HA ARG 89 HA ARG 89 2.992 -5.164 -26.486 720 1HB ARG 89 1HB ARG 89 5.771 -4.271 -27.149 721 2HB ARG 89 2HB ARG 89 5.449 -5.013 -25.588 722 1HG ARG 89 1HG ARG 89 4.879 -6.257 -28.270 723 2HG ARG 89 2HG ARG 89 6.237 -6.641 -27.210 724 1HD ARG 89 1HD ARG 89 4.717 -7.398 -25.486 725 2HD ARG 89 2HD ARG 89 3.338 -6.926 -26.471 726 HE ARG 89 HE ARG 89 5.140 -8.905 -27.603 727 1HH1 ARG 89 1HH1 ARG 89 2.138 -8.211 -25.926 728 2HH1 ARG 89 2HH1 ARG 89 1.418 -9.745 -26.337 729 1HH2 ARG 89 1HH2 ARG 89 4.217 -10.911 -28.128 730 2HH2 ARG 89 2HH2 ARG 89 2.608 -11.292 -27.582 731 H TRP 90 H TRP 90 3.366 -1.888 -26.822 732 HA TRP 90 HA TRP 90 3.904 -1.091 -24.173 733 1HB TRP 90 1HB TRP 90 4.073 0.445 -26.079 734 2HB TRP 90 2HB TRP 90 2.338 0.323 -26.342 735 HD1 TRP 90 HD1 TRP 90 0.848 2.006 -25.095 736 HE1 TRP 90 HE1 TRP 90 1.244 3.821 -23.322 737 HE3 TRP 90 HE3 TRP 90 5.701 0.922 -23.904 738 HZ2 TRP 90 HZ2 TRP 90 3.333 4.671 -21.622 739 HZ3 TRP 90 HZ3 TRP 90 6.825 2.280 -22.187 740 HH2 TRP 90 HH2 TRP 90 5.666 4.115 -21.071 741 H LEU 91 H LEU 91 1.056 -2.230 -25.793 742 HA LEU 91 HA LEU 91 -0.880 -1.351 -23.948 743 1HB LEU 91 1HB LEU 91 -0.921 -3.828 -25.676 744 2HB LEU 91 2HB LEU 91 -2.313 -3.091 -24.905 745 HG LEU 91 HG LEU 91 -0.632 -1.814 -27.062 746 1HD1 LEU 91 1HD1 LEU 91 -1.932 -3.652 -27.937 747 2HD1 LEU 91 2HD1 LEU 91 -2.632 -2.117 -28.454 748 3HD1 LEU 91 3HD1 LEU 91 -3.384 -3.032 -27.147 749 1HD2 LEU 91 1HD2 LEU 91 -1.577 -0.155 -25.558 750 2HD2 LEU 91 2HD2 LEU 91 -3.173 -0.887 -25.730 751 3HD2 LEU 91 3HD2 LEU 91 -2.400 -0.118 -27.117 752 H ASP 92 H ASP 92 1.027 -4.328 -24.135 753 HA ASP 92 HA ASP 92 -0.075 -5.637 -21.906 754 1HB ASP 92 1HB ASP 92 2.738 -5.794 -23.019 755 2HB ASP 92 2HB ASP 92 2.059 -6.913 -21.846 756 H PHE 93 H PHE 93 2.618 -3.388 -22.224 757 HA PHE 93 HA PHE 93 3.425 -3.553 -19.499 758 1HB PHE 93 1HB PHE 93 4.984 -2.908 -21.278 759 2HB PHE 93 2HB PHE 93 4.040 -1.457 -21.592 760 HD1 PHE 93 HD1 PHE 93 4.474 0.516 -20.426 761 HD2 PHE 93 HD2 PHE 93 6.052 -3.163 -18.987 762 HE1 PHE 93 HE1 PHE 93 5.820 1.745 -18.771 763 HE2 PHE 93 HE2 PHE 93 7.400 -1.943 -17.328 764 HZ PHE 93 HZ PHE 93 7.285 0.515 -17.219 765 H TYR 94 H TYR 94 1.541 -1.178 -21.349 766 HA TYR 94 HA TYR 94 1.369 0.772 -19.362 767 1HB TYR 94 1HB TYR 94 0.774 0.987 -21.822 768 2HB TYR 94 2HB TYR 94 -0.771 0.241 -21.427 769 HD1 TYR 94 HD1 TYR 94 -2.559 1.625 -20.880 770 HD2 TYR 94 HD2 TYR 94 1.409 3.086 -20.381 771 HE1 TYR 94 HE1 TYR 94 -3.451 3.841 -20.294 772 HE2 TYR 94 HE2 TYR 94 0.524 5.302 -19.791 773 HH TYR 94 HH TYR 94 -1.403 6.636 -19.989 774 H ALA 95 H ALA 95 -0.740 -1.983 -20.044 775 HA ALA 95 HA ALA 95 -2.738 -1.329 -18.152 776 1HB ALA 95 1HB ALA 95 -3.470 -3.645 -18.408 777 2HB ALA 95 2HB ALA 95 -1.968 -4.034 -19.247 778 3HB ALA 95 3HB ALA 95 -3.119 -2.911 -19.973 779 H ALA 96 H ALA 96 0.121 -3.415 -17.974 780 HA ALA 96 HA ALA 96 -0.334 -4.329 -15.338 781 1HB ALA 96 1HB ALA 96 1.133 -5.474 -16.945 782 2HB ALA 96 2HB ALA 96 1.948 -5.141 -15.417 783 3HB ALA 96 3HB ALA 96 2.280 -4.140 -16.831 784 H MET 97 H MET 97 1.495 -1.626 -16.658 785 HA MET 97 HA MET 97 2.792 -0.935 -14.229 786 1HB MET 97 1HB MET 97 3.620 -0.316 -16.489 787 2HB MET 97 2HB MET 97 2.273 0.806 -16.646 788 1HG MET 97 1HG MET 97 4.334 1.943 -16.022 789 2HG MET 97 2HG MET 97 3.101 2.101 -14.772 790 1HE MET 97 1HE MET 97 4.943 2.899 -13.051 791 2HE MET 97 2HE MET 97 6.194 2.742 -14.286 792 3HE MET 97 3HE MET 97 6.421 2.001 -12.701 793 H THR 98 H THR 98 -0.220 0.154 -15.744 794 HA THR 98 HA THR 98 -0.546 2.422 -14.067 795 HB THR 98 HB THR 98 -3.007 2.223 -14.816 796 HG1 THR 98 HG1 THR 98 -1.950 0.511 -16.803 797 1HG2 THR 98 1HG2 THR 98 -1.367 3.775 -15.791 798 2HG2 THR 98 2HG2 THR 98 -2.483 3.149 -17.005 799 3HG2 THR 98 3HG2 THR 98 -0.843 2.508 -16.900 800 H GLU 99 H GLU 99 -1.766 -0.910 -13.832 801 HA GLU 99 HA GLU 99 -3.388 -0.486 -11.574 802 1HB GLU 99 1HB GLU 99 -1.897 -2.969 -12.430 803 2HB GLU 99 2HB GLU 99 -3.084 -2.926 -11.133 804 1HG GLU 99 1HG GLU 99 -4.724 -2.065 -12.857 805 2HG GLU 99 2HG GLU 99 -3.521 -2.503 -14.071 806 H PHE 100 H PHE 100 0.043 -1.031 -11.922 807 HA PHE 100 HA PHE 100 0.480 -1.437 -9.101 808 1HB PHE 100 1HB PHE 100 1.884 -2.593 -10.724 809 2HB PHE 100 2HB PHE 100 2.405 -1.060 -11.408 810 HD1 PHE 100 HD1 PHE 100 4.230 0.093 -10.532 811 HD2 PHE 100 HD2 PHE 100 2.552 -3.154 -8.357 812 HE1 PHE 100 HE1 PHE 100 6.147 0.139 -8.995 813 HE2 PHE 100 HE2 PHE 100 4.468 -3.113 -6.814 814 HZ PHE 100 HZ PHE 100 6.271 -1.467 -7.133 815 H LEU 101 H LEU 101 1.492 1.065 -11.448 816 HA LEU 101 HA LEU 101 2.643 2.718 -9.464 817 1HB LEU 101 1HB LEU 101 3.115 2.534 -11.985 818 2HB LEU 101 2HB LEU 101 1.736 3.592 -12.191 819 HG LEU 101 HG LEU 101 4.006 4.668 -12.239 820 1HD1 LEU 101 1HD1 LEU 101 1.974 5.971 -11.929 821 2HD1 LEU 101 2HD1 LEU 101 3.301 6.638 -10.980 822 3HD1 LEU 101 3HD1 LEU 101 2.046 5.682 -10.191 823 1HD2 LEU 101 1HD2 LEU 101 5.055 5.175 -10.086 824 2HD2 LEU 101 2HD2 LEU 101 5.038 3.444 -10.422 825 3HD2 LEU 101 3HD2 LEU 101 3.883 4.130 -9.281 826 H GLY 102 H GLY 102 -0.532 2.577 -10.990 827 1HA GLY 102 1HA GLY 102 -1.429 5.143 -10.200 828 2HA GLY 102 2HA GLY 102 -2.458 3.801 -10.654 829 H LEU 103 H LEU 103 -0.911 2.311 -8.392 830 HA LEU 103 HA LEU 103 -2.777 2.927 -6.295 831 1HB LEU 103 1HB LEU 103 -0.356 1.129 -6.351 832 2HB LEU 103 2HB LEU 103 -1.432 1.277 -4.975 833 HG LEU 103 HG LEU 103 -2.203 0.248 -7.707 834 1HD1 LEU 103 1HD1 LEU 103 -2.414 -1.908 -6.586 835 2HD1 LEU 103 2HD1 LEU 103 -1.842 -1.190 -5.082 836 3HD1 LEU 103 3HD1 LEU 103 -0.765 -1.291 -6.475 837 1HD2 LEU 103 1HD2 LEU 103 -4.066 1.388 -6.632 838 2HD2 LEU 103 2HD2 LEU 103 -3.804 0.459 -5.156 839 3HD2 LEU 103 3HD2 LEU 103 -4.326 -0.358 -6.630 840 H PHE 104 H PHE 104 0.432 3.910 -7.134 841 HA PHE 104 HA PHE 104 1.055 4.863 -4.464 842 1HB PHE 104 1HB PHE 104 2.566 5.028 -7.080 843 2HB PHE 104 2HB PHE 104 3.170 5.661 -5.556 844 HD1 PHE 104 HD1 PHE 104 2.550 2.683 -7.544 845 HD2 PHE 104 HD2 PHE 104 3.839 4.145 -3.765 846 HE1 PHE 104 HE1 PHE 104 3.521 0.485 -7.033 847 HE2 PHE 104 HE2 PHE 104 4.812 1.945 -3.243 848 HZ PHE 104 HZ PHE 104 4.652 0.114 -4.876 849 H VAL 105 H VAL 105 0.420 6.239 -7.680 850 HA VAL 105 HA VAL 105 0.772 8.928 -6.994 851 HB VAL 105 HB VAL 105 -1.055 9.195 -8.948 852 1HG1 VAL 105 1HG1 VAL 105 1.236 9.988 -9.030 853 2HG1 VAL 105 2HG1 VAL 105 0.830 9.153 -10.527 854 3HG1 VAL 105 3HG1 VAL 105 1.819 8.347 -9.307 855 1HG2 VAL 105 1HG2 VAL 105 -1.526 6.773 -8.989 856 2HG2 VAL 105 2HG2 VAL 105 0.149 6.482 -9.458 857 3HG2 VAL 105 3HG2 VAL 105 -0.924 7.389 -10.525 858 H ASP 106 H ASP 106 -0.491 10.464 -6.150 859 HA ASP 106 HA ASP 106 -2.663 9.420 -4.532 860 1HB ASP 106 1HB ASP 106 -0.739 10.664 -3.529 861 2HB ASP 106 2HB ASP 106 -1.305 12.113 -4.352 862 H GLU 107 H GLU 107 -4.192 9.341 -6.285 863 HA GLU 107 HA GLU 107 -6.233 9.980 -7.009 864 1HB GLU 107 1HB GLU 107 -6.315 10.636 -4.573 865 2HB GLU 107 2HB GLU 107 -5.999 12.285 -5.086 866 1HG GLU 107 1HG GLU 107 -8.067 12.448 -6.196 867 2HG GLU 107 2HG GLU 107 -8.328 10.705 -6.127 868 H LYS 108 H LYS 108 -4.788 13.239 -6.474 869 HA LYS 108 HA LYS 108 -6.228 14.236 -8.707 870 1HB LYS 108 1HB LYS 108 -4.932 16.342 -8.331 871 2HB LYS 108 2HB LYS 108 -5.843 15.757 -6.950 872 1HG LYS 108 1HG LYS 108 -3.855 16.415 -6.023 873 2HG LYS 108 2HG LYS 108 -3.623 14.682 -6.220 874 1HD LYS 108 1HD LYS 108 -2.339 15.067 -8.246 875 2HD LYS 108 2HD LYS 108 -2.631 16.801 -8.125 876 1HE LYS 108 1HE LYS 108 -1.211 15.197 -6.006 877 2HE LYS 108 2HE LYS 108 -0.379 16.029 -7.317 878 1HZ LYS 108 1HZ LYS 108 -1.077 18.112 -6.518 879 2HZ LYS 108 2HZ LYS 108 -0.550 17.259 -5.148 880 3HZ LYS 108 3HZ LYS 108 -2.207 17.430 -5.451 881 H LYS 109 H LYS 109 -3.082 12.829 -8.428 882 HA LYS 109 HA LYS 109 -2.264 13.852 -11.015 883 1HB LYS 109 1HB LYS 109 -0.952 12.395 -8.849 884 2HB LYS 109 2HB LYS 109 -0.509 11.810 -10.449 885 1HG LYS 109 1HG LYS 109 -0.157 14.315 -10.999 886 2HG LYS 109 2HG LYS 109 -0.098 14.516 -9.247 887 1HD LYS 109 1HD LYS 109 1.785 13.075 -9.067 888 2HD LYS 109 2HD LYS 109 1.617 12.539 -10.741 889 1HE LYS 109 1HE LYS 109 2.065 14.886 -11.460 890 2HE LYS 109 2HE LYS 109 2.396 15.286 -9.777 891 1HZ LYS 109 1HZ LYS 109 4.221 13.739 -9.774 892 2HZ LYS 109 2HZ LYS 109 4.414 14.829 -11.058 893 3HZ LYS 109 3HZ LYS 109 3.872 13.254 -11.361 894 H LEU 110 H LEU 110 -4.417 11.619 -10.083 895 HA LEU 110 HA LEU 110 -3.895 9.677 -12.174 896 1HB LEU 110 1HB LEU 110 -6.194 10.064 -10.252 897 2HB LEU 110 2HB LEU 110 -6.137 8.778 -11.435 898 HG LEU 110 HG LEU 110 -4.143 9.156 -9.208 899 1HD1 LEU 110 1HD1 LEU 110 -5.203 7.205 -8.195 900 2HD1 LEU 110 2HD1 LEU 110 -6.397 7.168 -9.492 901 3HD1 LEU 110 3HD1 LEU 110 -6.358 8.528 -8.369 902 1HD2 LEU 110 1HD2 LEU 110 -4.524 6.934 -11.205 903 2HD2 LEU 110 2HD2 LEU 110 -3.396 6.907 -9.848 904 3HD2 LEU 110 3HD2 LEU 110 -3.184 8.076 -11.154 905 H GLU 111 H GLU 111 -5.323 12.700 -11.827 906 HA GLU 111 HA GLU 111 -6.704 14.015 -13.023 907 1HB GLU 111 1HB GLU 111 -5.717 12.238 -15.252 908 2HB GLU 111 2HB GLU 111 -6.704 13.673 -15.515 909 1HG GLU 111 1HG GLU 111 -4.816 14.800 -14.047 910 2HG GLU 111 2HG GLU 111 -3.873 13.444 -14.662 911 H HIS 112 H HIS 112 -7.746 11.531 -11.813 912 HA HIS 112 HA HIS 112 -10.069 10.934 -13.442 913 1HB HIS 112 1HB HIS 112 -9.097 9.991 -10.758 914 2HB HIS 112 2HB HIS 112 -10.748 9.682 -11.270 915 HD1 HIS 112 HD1 HIS 112 -10.859 7.298 -11.957 916 HD2 HIS 112 HD2 HIS 112 -7.398 9.172 -13.277 917 HE1 HIS 112 HE1 HIS 112 -9.630 5.572 -13.322 918 H HIS 113 H HIS 113 -12.178 10.919 -11.823 919 HA HIS 113 HA HIS 113 -12.843 13.660 -11.614 920 1HB HIS 113 1HB HIS 113 -14.324 11.480 -11.917 921 2HB HIS 113 2HB HIS 113 -14.433 11.593 -10.163 922 HD1 HIS 113 HD1 HIS 113 -14.998 13.824 -13.187 923 HD2 HIS 113 HD2 HIS 113 -16.442 13.222 -9.331 924 HE1 HIS 113 HE1 HIS 113 -16.945 15.397 -12.933 925 H HIS 114 H HIS 114 -12.509 11.158 -9.112 926 HA HIS 114 HA HIS 114 -10.694 12.253 -7.452 927 1HB HIS 114 1HB HIS 114 -11.737 13.547 -5.751 928 2HB HIS 114 2HB HIS 114 -12.275 14.245 -7.271 929 HD1 HIS 114 HD1 HIS 114 -13.674 14.222 -4.325 930 HD2 HIS 114 HD2 HIS 114 -14.845 12.188 -7.759 931 HE1 HIS 114 HE1 HIS 114 -16.123 13.725 -4.021 932 H HIS 115 H HIS 115 -10.991 11.450 -5.068 933 HA HIS 115 HA HIS 115 -12.746 9.080 -5.076 934 1HB HIS 115 1HB HIS 115 -9.898 9.272 -4.119 935 2HB HIS 115 2HB HIS 115 -10.990 8.015 -3.553 936 HD1 HIS 115 HD1 HIS 115 -12.367 7.331 -6.254 937 HD2 HIS 115 HD2 HIS 115 -8.270 7.821 -5.722 938 HE1 HIS 115 HE1 HIS 115 -11.279 6.017 -8.103 939 H HIS 116 H HIS 116 -10.915 11.312 -2.976 940 HA HIS 116 HA HIS 116 -13.200 11.199 -1.133 941 1HB HIS 116 1HB HIS 116 -11.311 9.690 -0.363 942 2HB HIS 116 2HB HIS 116 -10.347 11.147 -0.145 943 HD1 HIS 116 HD1 HIS 116 -10.351 11.929 2.202 944 HD2 HIS 116 HD2 HIS 116 -13.921 10.040 1.186 945 HE1 HIS 116 HE1 HIS 116 -11.753 11.943 4.291 946 H HIS 117 H HIS 117 -11.004 13.066 -2.876 947 HA HIS 117 HA HIS 117 -11.100 15.333 -1.068 948 1HB HIS 117 1HB HIS 117 -9.144 14.740 -2.644 949 2HB HIS 117 2HB HIS 117 -10.142 15.429 -3.919 950 HD1 HIS 117 HD1 HIS 117 -10.285 17.973 -4.058 951 HD2 HIS 117 HD2 HIS 117 -8.255 16.608 -0.687 952 HE1 HIS 117 HE1 HIS 117 -9.220 20.008 -3.031 Start of MODEL 16 1 HA LEU 1 HA LEU 1 2.305 1.614 1.374 2 1HB LEU 1 1HB LEU 1 1.301 1.103 -1.433 3 2HB LEU 1 2HB LEU 1 2.938 0.813 -0.872 4 HG LEU 1 HG LEU 1 0.473 -0.614 0.137 5 1HD1 LEU 1 1HD1 LEU 1 2.689 -1.536 -1.683 6 2HD1 LEU 1 2HD1 LEU 1 1.011 -1.244 -2.142 7 3HD1 LEU 1 3HD1 LEU 1 1.405 -2.554 -1.027 8 1HD2 LEU 1 1HD2 LEU 1 3.398 -1.053 0.730 9 2HD2 LEU 1 2HD2 LEU 1 2.070 -2.077 1.270 10 3HD2 LEU 1 3HD2 LEU 1 2.193 -0.417 1.850 11 H ASN 2 H ASN 2 4.104 2.660 0.021 12 HA ASN 2 HA ASN 2 3.183 5.235 -1.038 13 1HB ASN 2 1HB ASN 2 5.210 6.312 0.038 14 2HB ASN 2 2HB ASN 2 3.897 5.862 1.116 15 1HD2 ASN 2 2HD2 ASN 2 5.170 5.789 2.903 16 2HD2 ASN 2 1HD2 ASN 2 6.352 4.562 3.181 17 H ILE 3 H ILE 3 4.224 6.053 -2.738 18 HA ILE 3 HA ILE 3 5.927 4.201 -4.191 19 HB ILE 3 HB ILE 3 4.000 5.313 -5.264 20 1HG1 ILE 3 1HG1 ILE 3 6.651 6.122 -6.478 21 2HG1 ILE 3 2HG1 ILE 3 5.902 4.535 -6.636 22 1HG2 ILE 3 1HG2 ILE 3 4.107 7.681 -5.841 23 2HG2 ILE 3 2HG2 ILE 3 5.607 7.841 -4.926 24 3HG2 ILE 3 3HG2 ILE 3 4.104 7.437 -4.095 25 1HD1 ILE 3 1HD1 ILE 3 4.762 7.130 -7.652 26 2HD1 ILE 3 2HD1 ILE 3 4.025 5.537 -7.822 27 3HD1 ILE 3 3HD1 ILE 3 5.555 5.891 -8.624 28 H GLU 4 H GLU 4 6.434 6.586 -2.004 29 HA GLU 4 HA GLU 4 8.639 7.993 -3.146 30 1HB GLU 4 1HB GLU 4 7.815 7.716 -0.253 31 2HB GLU 4 2HB GLU 4 8.932 8.910 -0.898 32 1HG GLU 4 1HG GLU 4 7.165 9.947 -2.162 33 2HG GLU 4 2HG GLU 4 6.031 8.692 -1.660 34 H ARG 5 H ARG 5 8.372 4.871 -2.130 35 HA ARG 5 HA ARG 5 11.243 4.726 -1.506 36 1HB ARG 5 1HB ARG 5 9.026 3.021 -0.344 37 2HB ARG 5 2HB ARG 5 10.744 2.720 -0.117 38 1HG ARG 5 1HG ARG 5 10.935 4.962 0.934 39 2HG ARG 5 2HG ARG 5 9.178 5.101 0.837 40 1HD ARG 5 1HD ARG 5 8.924 3.128 2.227 41 2HD ARG 5 2HD ARG 5 10.674 2.912 2.275 42 HE ARG 5 HE ARG 5 9.387 5.325 3.388 43 1HH1 ARG 5 1HH1 ARG 5 11.548 2.584 3.683 44 2HH1 ARG 5 2HH1 ARG 5 12.118 3.047 5.257 45 1HH2 ARG 5 1HH2 ARG 5 10.137 5.946 5.429 46 2HH2 ARG 5 2HH2 ARG 5 11.318 4.974 6.262 47 H LEU 6 H LEU 6 9.472 4.476 -3.943 48 HA LEU 6 HA LEU 6 9.749 1.702 -4.709 49 1HB LEU 6 1HB LEU 6 7.811 3.170 -5.370 50 2HB LEU 6 2HB LEU 6 8.913 4.050 -6.408 51 HG LEU 6 HG LEU 6 9.371 1.902 -7.613 52 1HD1 LEU 6 1HD1 LEU 6 7.720 0.102 -7.344 53 2HD1 LEU 6 2HD1 LEU 6 7.046 0.949 -5.952 54 3HD1 LEU 6 3HD1 LEU 6 8.701 0.342 -5.900 55 1HD2 LEU 6 1HD2 LEU 6 7.304 1.956 -8.897 56 2HD2 LEU 6 2HD2 LEU 6 7.839 3.588 -8.498 57 3HD2 LEU 6 3HD2 LEU 6 6.510 2.852 -7.602 58 H THR 7 H THR 7 11.989 1.386 -4.700 59 HA THR 7 HA THR 7 13.634 3.048 -6.438 60 HB THR 7 HB THR 7 15.479 1.495 -5.594 61 HG1 THR 7 HG1 THR 7 14.746 -0.218 -4.593 62 1HG2 THR 7 1HG2 THR 7 13.910 3.081 -3.550 63 2HG2 THR 7 2HG2 THR 7 15.130 3.725 -4.648 64 3HG2 THR 7 3HG2 THR 7 15.594 2.580 -3.390 65 H THR 8 H THR 8 11.749 0.294 -6.721 66 HA THR 8 HA THR 8 13.243 -0.616 -9.071 67 HB THR 8 HB THR 8 13.807 -2.172 -7.277 68 HG1 THR 8 HG1 THR 8 13.417 -3.955 -8.461 69 1HG2 THR 8 1HG2 THR 8 10.830 -2.621 -7.019 70 2HG2 THR 8 2HG2 THR 8 11.866 -1.829 -5.832 71 3HG2 THR 8 3HG2 THR 8 12.083 -3.541 -6.190 72 H LEU 9 H LEU 9 11.822 -2.227 -10.338 73 HA LEU 9 HA LEU 9 8.989 -1.464 -10.215 74 1HB LEU 9 1HB LEU 9 10.395 -0.193 -11.978 75 2HB LEU 9 2HB LEU 9 10.446 -1.722 -12.832 76 HG LEU 9 HG LEU 9 7.893 -1.684 -12.724 77 1HD1 LEU 9 1HD1 LEU 9 7.714 0.058 -11.012 78 2HD1 LEU 9 2HD1 LEU 9 6.865 0.501 -12.494 79 3HD1 LEU 9 3HD1 LEU 9 8.433 1.220 -12.128 80 1HD2 LEU 9 1HD2 LEU 9 7.734 -0.231 -14.684 81 2HD2 LEU 9 2HD2 LEU 9 9.127 -1.311 -14.776 82 3HD2 LEU 9 3HD2 LEU 9 9.352 0.387 -14.352 83 H GLN 10 H GLN 10 10.645 -3.818 -9.475 84 HA GLN 10 HA GLN 10 10.628 -5.943 -11.168 85 1HB GLN 10 1HB GLN 10 11.636 -6.138 -9.016 86 2HB GLN 10 2HB GLN 10 10.097 -5.904 -8.202 87 1HG GLN 10 1HG GLN 10 10.728 -8.215 -8.086 88 2HG GLN 10 2HG GLN 10 9.309 -8.047 -9.116 89 1HE2 GLN 10 2HE2 GLN 10 9.507 -8.410 -11.333 90 2HE2 GLN 10 1HE2 GLN 10 10.867 -9.247 -12.006 91 HA PRO 11 HA PRO 11 6.087 -7.257 -9.734 92 1HB PRO 11 1HB PRO 11 5.008 -4.488 -9.463 93 2HB PRO 11 2HB PRO 11 4.568 -5.959 -8.587 94 1HG PRO 11 1HG PRO 11 6.073 -4.122 -7.413 95 2HG PRO 11 2HG PRO 11 6.437 -5.845 -7.197 96 1HD PRO 11 1HD PRO 11 7.800 -3.820 -8.920 97 2HD PRO 11 2HD PRO 11 8.498 -5.149 -7.971 98 H VAL 12 H VAL 12 6.741 -4.303 -11.588 99 HA VAL 12 HA VAL 12 4.571 -4.725 -13.415 100 HB VAL 12 HB VAL 12 6.994 -2.930 -13.663 101 1HG1 VAL 12 1HG1 VAL 12 5.725 -1.781 -15.423 102 2HG1 VAL 12 2HG1 VAL 12 4.453 -2.998 -15.296 103 3HG1 VAL 12 3HG1 VAL 12 6.062 -3.457 -15.855 104 1HG2 VAL 12 1HG2 VAL 12 4.152 -2.324 -12.854 105 2HG2 VAL 12 2HG2 VAL 12 5.447 -1.143 -13.050 106 3HG2 VAL 12 3HG2 VAL 12 5.551 -2.363 -11.781 107 H TRP 13 H TRP 13 8.084 -5.192 -13.514 108 HA TRP 13 HA TRP 13 8.149 -6.227 -16.149 109 1HB TRP 13 1HB TRP 13 10.103 -6.557 -13.866 110 2HB TRP 13 2HB TRP 13 10.417 -7.043 -15.527 111 HD1 TRP 13 HD1 TRP 13 11.257 -4.342 -13.345 112 HE1 TRP 13 HE1 TRP 13 11.741 -2.160 -14.619 113 HE3 TRP 13 HE3 TRP 13 9.202 -5.566 -17.861 114 HZ2 TRP 13 HZ2 TRP 13 11.309 -1.101 -17.198 115 HZ3 TRP 13 HZ3 TRP 13 9.276 -3.911 -19.676 116 HH2 TRP 13 HH2 TRP 13 10.307 -1.724 -19.351 117 H ASP 14 H ASP 14 7.656 -7.666 -13.012 118 HA ASP 14 HA ASP 14 7.878 -10.381 -13.843 119 1HB ASP 14 1HB ASP 14 8.078 -9.657 -11.481 120 2HB ASP 14 2HB ASP 14 6.375 -9.213 -11.491 121 H ARG 15 H ARG 15 5.155 -8.165 -13.400 122 HA ARG 15 HA ARG 15 3.109 -9.925 -14.215 123 1HB ARG 15 1HB ARG 15 2.651 -7.818 -13.077 124 2HB ARG 15 2HB ARG 15 3.331 -6.917 -14.419 125 1HG ARG 15 1HG ARG 15 1.469 -8.060 -15.814 126 2HG ARG 15 2HG ARG 15 0.717 -8.344 -14.241 127 1HD ARG 15 1HD ARG 15 0.927 -5.926 -13.752 128 2HD ARG 15 2HD ARG 15 1.557 -5.681 -15.377 129 HE ARG 15 HE ARG 15 -1.181 -6.046 -14.600 130 1HH1 ARG 15 1HH1 ARG 15 1.063 -6.439 -17.273 131 2HH1 ARG 15 2HH1 ARG 15 -0.142 -6.188 -18.495 132 1HH2 ARG 15 1HH2 ARG 15 -2.748 -5.633 -16.183 133 2HH2 ARG 15 2HH2 ARG 15 -2.318 -5.722 -17.868 134 H TYR 16 H TYR 16 4.949 -7.481 -15.995 135 HA TYR 16 HA TYR 16 3.732 -7.750 -18.495 136 1HB TYR 16 1HB TYR 16 5.195 -5.883 -17.802 137 2HB TYR 16 2HB TYR 16 6.578 -6.967 -17.837 138 HD1 TYR 16 HD1 TYR 16 3.979 -5.399 -19.984 139 HD2 TYR 16 HD2 TYR 16 7.778 -7.306 -19.825 140 HE1 TYR 16 HE1 TYR 16 4.386 -4.777 -22.332 141 HE2 TYR 16 HE2 TYR 16 8.188 -6.703 -22.169 142 HH TYR 16 HH TYR 16 6.203 -4.461 -23.851 143 H ASP 17 H ASP 17 6.621 -9.357 -17.201 144 HA ASP 17 HA ASP 17 7.489 -10.619 -19.496 145 1HB ASP 17 1HB ASP 17 8.649 -10.544 -17.262 146 2HB ASP 17 2HB ASP 17 7.581 -11.841 -16.733 147 H THR 18 H THR 18 5.092 -11.769 -17.143 148 HA THR 18 HA THR 18 4.671 -14.181 -18.698 149 HB THR 18 HB THR 18 3.381 -13.278 -16.120 150 HG1 THR 18 HG1 THR 18 5.028 -14.264 -15.154 151 1HG2 THR 18 1HG2 THR 18 3.389 -15.996 -17.444 152 2HG2 THR 18 2HG2 THR 18 2.003 -14.910 -17.346 153 3HG2 THR 18 3HG2 THR 18 2.687 -15.603 -15.876 154 H GLN 19 H GLN 19 2.986 -11.147 -18.033 155 HA GLN 19 HA GLN 19 0.451 -11.894 -18.965 156 1HB GLN 19 1HB GLN 19 1.017 -9.915 -17.578 157 2HB GLN 19 2HB GLN 19 1.774 -9.193 -18.982 158 1HG GLN 19 1HG GLN 19 -0.402 -8.284 -18.619 159 2HG GLN 19 2HG GLN 19 -0.350 -9.185 -20.130 160 1HE2 GLN 19 2HE2 GLN 19 -2.575 -9.432 -20.146 161 2HE2 GLN 19 1HE2 GLN 19 -3.388 -10.540 -19.091 162 H ILE 20 H ILE 20 3.350 -10.849 -20.554 163 HA ILE 20 HA ILE 20 2.310 -10.198 -23.064 164 HB ILE 20 HB ILE 20 4.981 -11.160 -22.116 165 1HG1 ILE 20 1HG1 ILE 20 4.512 -8.899 -21.575 166 2HG1 ILE 20 2HG1 ILE 20 5.636 -8.869 -22.927 167 1HG2 ILE 20 1HG2 ILE 20 4.765 -12.089 -24.368 168 2HG2 ILE 20 2HG2 ILE 20 5.940 -10.774 -24.336 169 3HG2 ILE 20 3HG2 ILE 20 4.326 -10.498 -24.989 170 1HD1 ILE 20 1HD1 ILE 20 3.934 -7.194 -23.224 171 2HD1 ILE 20 2HD1 ILE 20 2.668 -8.410 -23.057 172 3HD1 ILE 20 3HD1 ILE 20 3.750 -8.453 -24.446 173 H HIS 21 H HIS 21 2.581 -13.240 -21.496 174 HA HIS 21 HA HIS 21 2.612 -14.865 -23.869 175 1HB HIS 21 1HB HIS 21 1.880 -15.551 -21.009 176 2HB HIS 21 2HB HIS 21 2.013 -16.725 -22.310 177 HD1 HIS 21 HD1 HIS 21 4.157 -17.940 -22.234 178 HD2 HIS 21 HD2 HIS 21 4.539 -14.045 -20.820 179 HE1 HIS 21 HE1 HIS 21 6.570 -17.695 -21.561 180 H ASN 22 H ASN 22 0.268 -13.031 -22.256 181 HA ASN 22 HA ASN 22 -1.961 -14.564 -23.380 182 1HB ASN 22 1HB ASN 22 -2.282 -13.901 -21.074 183 2HB ASN 22 2HB ASN 22 -1.901 -12.226 -21.450 184 1HD2 ASN 22 2HD2 ASN 22 -4.272 -14.758 -21.721 185 2HD2 ASN 22 1HD2 ASN 22 -5.612 -13.731 -22.105 186 H GLN 23 H GLN 23 -1.611 -11.063 -23.001 187 HA GLN 23 HA GLN 23 -1.969 -9.316 -24.392 188 1HB GLN 23 1HB GLN 23 -0.671 -11.190 -26.370 189 2HB GLN 23 2HB GLN 23 -1.000 -9.494 -26.690 190 1HG GLN 23 1HG GLN 23 0.829 -10.613 -24.583 191 2HG GLN 23 2HG GLN 23 1.298 -9.770 -26.059 192 1HE2 GLN 23 2HE2 GLN 23 0.084 -9.448 -22.834 193 2HE2 GLN 23 1HE2 GLN 23 0.202 -7.728 -22.741 194 H LYS 24 H LYS 24 -4.124 -9.066 -24.467 195 HA LYS 24 HA LYS 24 -5.515 -10.202 -26.780 196 1HB LYS 24 1HB LYS 24 -5.978 -11.526 -24.671 197 2HB LYS 24 2HB LYS 24 -6.725 -10.081 -24.008 198 1HG LYS 24 1HG LYS 24 -8.353 -10.113 -25.856 199 2HG LYS 24 2HG LYS 24 -7.624 -11.613 -26.437 200 1HD LYS 24 1HD LYS 24 -8.228 -12.753 -24.411 201 2HD LYS 24 2HD LYS 24 -8.795 -11.248 -23.684 202 1HE LYS 24 1HE LYS 24 -10.540 -11.091 -25.398 203 2HE LYS 24 2HE LYS 24 -9.974 -12.602 -26.107 204 1HZ LYS 24 1HZ LYS 24 -11.931 -12.802 -24.593 205 2HZ LYS 24 2HZ LYS 24 -10.916 -12.377 -23.303 206 3HZ LYS 24 3HZ LYS 24 -10.617 -13.798 -24.186 207 H ASP 25 H ASP 25 -7.882 -9.088 -26.679 208 HA ASP 25 HA ASP 25 -9.176 -7.263 -26.827 209 1HB ASP 25 1HB ASP 25 -7.172 -6.148 -24.887 210 2HB ASP 25 2HB ASP 25 -8.471 -5.155 -25.543 211 H ASN 26 H ASN 26 -9.047 -6.972 -28.915 212 HA ASN 26 HA ASN 26 -7.482 -4.642 -29.768 213 1HB ASN 26 1HB ASN 26 -7.182 -5.725 -32.022 214 2HB ASN 26 2HB ASN 26 -6.261 -6.476 -30.730 215 1HD2 ASN 26 2HD2 ASN 26 -9.712 -6.939 -31.425 216 2HD2 ASN 26 1HD2 ASN 26 -9.572 -8.615 -31.811 217 H ASP 27 H ASP 27 -10.190 -5.213 -28.833 218 HA ASP 27 HA ASP 27 -11.906 -5.156 -31.160 219 1HB ASP 27 1HB ASP 27 -12.506 -5.200 -28.195 220 2HB ASP 27 2HB ASP 27 -13.735 -5.235 -29.459 221 H ASN 28 H ASN 28 -14.027 -3.654 -30.257 222 HA ASN 28 HA ASN 28 -12.954 -0.985 -30.783 223 1HB ASN 28 1HB ASN 28 -14.659 -1.918 -32.306 224 2HB ASN 28 2HB ASN 28 -15.794 -2.008 -30.964 225 1HD2 ASN 28 2HD2 ASN 28 -17.266 -0.645 -31.880 226 2HD2 ASN 28 1HD2 ASN 28 -16.995 1.055 -32.068 227 H GLU 29 H GLU 29 -15.017 -2.691 -28.474 228 HA GLU 29 HA GLU 29 -15.625 -0.222 -27.070 229 1HB GLU 29 1HB GLU 29 -16.497 -3.065 -26.573 230 2HB GLU 29 2HB GLU 29 -17.008 -1.689 -25.605 231 1HG GLU 29 1HG GLU 29 -17.886 -0.693 -27.770 232 2HG GLU 29 2HG GLU 29 -17.654 -2.297 -28.470 233 H VAL 30 H VAL 30 -12.879 -1.002 -27.047 234 HA VAL 30 HA VAL 30 -12.517 -1.169 -24.158 235 HB VAL 30 HB VAL 30 -12.260 -3.472 -24.799 236 1HG1 VAL 30 1HG1 VAL 30 -10.242 -2.556 -26.844 237 2HG1 VAL 30 2HG1 VAL 30 -11.866 -3.151 -27.185 238 3HG1 VAL 30 3HG1 VAL 30 -10.664 -4.229 -26.476 239 1HG2 VAL 30 1HG2 VAL 30 -9.923 -3.913 -24.155 240 2HG2 VAL 30 2HG2 VAL 30 -10.697 -2.712 -23.121 241 3HG2 VAL 30 3HG2 VAL 30 -9.559 -2.200 -24.367 242 HA PRO 31 HA PRO 31 -9.736 2.103 -25.256 243 1HB PRO 31 1HB PRO 31 -8.568 2.464 -22.831 244 2HB PRO 31 2HB PRO 31 -10.200 3.020 -23.213 245 1HG PRO 31 1HG PRO 31 -9.325 0.609 -21.694 246 2HG PRO 31 2HG PRO 31 -10.699 1.687 -21.392 247 1HD PRO 31 1HD PRO 31 -10.905 -0.767 -22.601 248 2HD PRO 31 2HD PRO 31 -12.051 0.558 -22.860 249 H VAL 32 H VAL 32 -8.591 0.544 -26.603 250 HA VAL 32 HA VAL 32 -5.829 0.392 -25.932 251 HB VAL 32 HB VAL 32 -6.741 -1.642 -24.758 252 1HG1 VAL 32 1HG1 VAL 32 -7.417 -3.566 -26.122 253 2HG1 VAL 32 2HG1 VAL 32 -7.360 -2.550 -27.563 254 3HG1 VAL 32 3HG1 VAL 32 -8.530 -2.208 -26.289 255 1HG2 VAL 32 1HG2 VAL 32 -5.057 -3.198 -25.647 256 2HG2 VAL 32 2HG2 VAL 32 -4.417 -1.569 -25.427 257 3HG2 VAL 32 3HG2 VAL 32 -4.838 -2.140 -27.042 258 H HIS 33 H HIS 33 -4.575 0.047 -27.720 259 HA HIS 33 HA HIS 33 -3.990 -0.176 -29.906 260 1HB HIS 33 1HB HIS 33 -6.717 -1.340 -29.993 261 2HB HIS 33 2HB HIS 33 -5.997 -0.834 -31.508 262 HD1 HIS 33 HD1 HIS 33 -4.158 -2.283 -32.484 263 HD2 HIS 33 HD2 HIS 33 -5.372 -3.481 -28.689 264 HE1 HIS 33 HE1 HIS 33 -3.095 -4.533 -32.107 265 H GLN 34 H GLN 34 -6.846 1.641 -29.067 266 HA GLN 34 HA GLN 34 -6.816 3.313 -31.394 267 1HB GLN 34 1HB GLN 34 -8.044 3.914 -28.699 268 2HB GLN 34 2HB GLN 34 -8.449 4.669 -30.235 269 1HG GLN 34 1HG GLN 34 -9.321 2.529 -31.046 270 2HG GLN 34 2HG GLN 34 -8.929 1.788 -29.494 271 1HE2 GLN 34 2HE2 GLN 34 -11.504 2.022 -30.781 272 2HE2 GLN 34 1HE2 GLN 34 -12.518 2.914 -29.695 273 H VAL 35 H VAL 35 -4.433 3.680 -31.243 274 HA VAL 35 HA VAL 35 -3.847 5.953 -29.473 275 HB VAL 35 HB VAL 35 -1.475 5.230 -29.495 276 1HG1 VAL 35 1HG1 VAL 35 -1.732 3.405 -27.884 277 2HG1 VAL 35 2HG1 VAL 35 -3.413 3.211 -28.382 278 3HG1 VAL 35 3HG1 VAL 35 -2.894 4.700 -27.592 279 1HG2 VAL 35 1HG2 VAL 35 -1.495 3.901 -31.525 280 2HG2 VAL 35 2HG2 VAL 35 -2.574 2.732 -30.766 281 3HG2 VAL 35 3HG2 VAL 35 -0.930 2.935 -30.162 282 H SER 36 H SER 36 -1.508 6.789 -30.439 283 HA SER 36 HA SER 36 -1.397 7.034 -33.266 284 1HB SER 36 1HB SER 36 -3.351 8.504 -32.829 285 2HB SER 36 2HB SER 36 -2.387 9.437 -31.688 286 HG SER 36 HG SER 36 -2.650 10.056 -34.110 287 H TYR 37 H TYR 37 0.243 8.918 -33.762 288 HA TYR 37 HA TYR 37 2.638 8.357 -32.442 289 1HB TYR 37 1HB TYR 37 2.568 9.303 -34.698 290 2HB TYR 37 2HB TYR 37 1.882 10.796 -34.072 291 HD1 TYR 37 HD1 TYR 37 3.272 12.531 -33.298 292 HD2 TYR 37 HD2 TYR 37 4.931 8.677 -34.014 293 HE1 TYR 37 HE1 TYR 37 5.530 13.456 -33.005 294 HE2 TYR 37 HE2 TYR 37 7.196 9.593 -33.724 295 HH TYR 37 HH TYR 37 8.351 11.738 -33.874 296 H THR 38 H THR 38 0.403 11.069 -32.041 297 HA THR 38 HA THR 38 1.865 12.444 -30.071 298 HB THR 38 HB THR 38 -1.140 12.448 -30.331 299 HG1 THR 38 HG1 THR 38 -0.388 14.367 -31.795 300 1HG2 THR 38 1HG2 THR 38 0.840 14.591 -29.536 301 2HG2 THR 38 2HG2 THR 38 -0.218 13.704 -28.438 302 3HG2 THR 38 3HG2 THR 38 -0.909 14.790 -29.643 303 H ASN 39 H ASN 39 -0.523 9.861 -29.899 304 HA ASN 39 HA ASN 39 -1.079 9.931 -27.151 305 1HB ASN 39 1HB ASN 39 -1.646 8.204 -29.356 306 2HB ASN 39 2HB ASN 39 -1.075 7.216 -28.020 307 1HD2 ASN 39 2HD2 ASN 39 -2.828 10.235 -27.651 308 2HD2 ASN 39 1HD2 ASN 39 -4.262 9.525 -26.992 309 H LEU 40 H LEU 40 1.387 8.118 -28.958 310 HA LEU 40 HA LEU 40 2.510 6.758 -26.782 311 1HB LEU 40 1HB LEU 40 3.485 7.543 -29.490 312 2HB LEU 40 2HB LEU 40 4.652 6.952 -28.327 313 HG LEU 40 HG LEU 40 3.898 5.171 -29.809 314 1HD1 LEU 40 1HD1 LEU 40 2.894 4.834 -26.988 315 2HD1 LEU 40 2HD1 LEU 40 4.554 4.603 -27.534 316 3HD1 LEU 40 3HD1 LEU 40 3.279 3.531 -28.111 317 1HD2 LEU 40 1HD2 LEU 40 1.154 5.696 -28.673 318 2HD2 LEU 40 2HD2 LEU 40 1.597 4.337 -29.706 319 3HD2 LEU 40 3HD2 LEU 40 1.669 5.984 -30.337 320 H ALA 41 H ALA 41 3.405 9.872 -28.235 321 HA ALA 41 HA ALA 41 5.579 10.422 -26.550 322 1HB ALA 41 1HB ALA 41 5.355 12.733 -27.308 323 2HB ALA 41 2HB ALA 41 3.756 12.368 -27.959 324 3HB ALA 41 3HB ALA 41 5.186 11.603 -28.652 325 H GLU 42 H GLU 42 2.148 11.239 -26.271 326 HA GLU 42 HA GLU 42 2.345 12.775 -23.916 327 1HB GLU 42 1HB GLU 42 0.065 11.218 -25.131 328 2HB GLU 42 2HB GLU 42 -0.124 12.203 -23.692 329 1HG GLU 42 1HG GLU 42 0.763 13.185 -26.393 330 2HG GLU 42 2HG GLU 42 -0.843 13.378 -25.692 331 H MET 43 H MET 43 1.741 9.331 -24.452 332 HA MET 43 HA MET 43 1.281 8.648 -21.760 333 1HB MET 43 1HB MET 43 2.221 7.027 -24.119 334 2HB MET 43 2HB MET 43 1.999 6.316 -22.525 335 1HG MET 43 1HG MET 43 -0.349 6.991 -22.551 336 2HG MET 43 2HG MET 43 -0.124 7.700 -24.151 337 1HE MET 43 1HE MET 43 -2.180 6.265 -25.036 338 2HE MET 43 2HE MET 43 -2.381 5.551 -23.437 339 3HE MET 43 3HE MET 43 -2.302 4.515 -24.862 340 H VAL 44 H VAL 44 4.292 8.715 -23.659 341 HA VAL 44 HA VAL 44 5.980 7.647 -21.693 342 HB VAL 44 HB VAL 44 6.597 9.734 -23.799 343 1HG1 VAL 44 1HG1 VAL 44 8.265 9.792 -22.015 344 2HG1 VAL 44 2HG1 VAL 44 8.943 9.126 -23.499 345 3HG1 VAL 44 3HG1 VAL 44 8.503 8.051 -22.171 346 1HG2 VAL 44 1HG2 VAL 44 7.005 6.743 -23.766 347 2HG2 VAL 44 2HG2 VAL 44 7.542 7.838 -25.040 348 3HG2 VAL 44 3HG2 VAL 44 5.819 7.627 -24.729 349 H GLY 45 H GLY 45 4.800 10.932 -22.203 350 1HA GLY 45 1HA GLY 45 6.347 12.191 -20.201 351 2HA GLY 45 2HA GLY 45 4.840 12.795 -20.870 352 H GLU 46 H GLU 46 2.980 10.980 -20.105 353 HA GLU 46 HA GLU 46 2.612 11.743 -17.403 354 1HB GLU 46 1HB GLU 46 0.548 10.384 -17.493 355 2HB GLU 46 2HB GLU 46 0.695 11.522 -18.822 356 1HG GLU 46 1HG GLU 46 1.507 9.646 -20.247 357 2HG GLU 46 2HG GLU 46 1.136 8.548 -18.916 358 H MET 47 H MET 47 3.907 8.842 -18.861 359 HA MET 47 HA MET 47 3.801 7.177 -16.597 360 1HB MET 47 1HB MET 47 5.788 7.305 -18.866 361 2HB MET 47 2HB MET 47 5.866 6.088 -17.603 362 1HG MET 47 1HG MET 47 3.355 6.449 -19.175 363 2HG MET 47 2HG MET 47 4.712 5.565 -19.865 364 1HE MET 47 1HE MET 47 1.960 5.733 -17.181 365 2HE MET 47 2HE MET 47 3.296 5.566 -16.041 366 3HE MET 47 3HE MET 47 2.157 4.241 -16.262 367 H ASN 48 H ASN 48 6.231 9.537 -17.645 368 HA ASN 48 HA ASN 48 7.938 9.123 -15.405 369 1HB ASN 48 1HB ASN 48 7.732 11.290 -17.482 370 2HB ASN 48 2HB ASN 48 8.845 11.435 -16.124 371 1HD2 ASN 48 2HD2 ASN 48 8.152 9.809 -19.109 372 2HD2 ASN 48 1HD2 ASN 48 9.667 8.983 -19.234 373 H LYS 49 H LYS 49 5.155 11.124 -16.015 374 HA LYS 49 HA LYS 49 5.367 12.860 -13.802 375 1HB LYS 49 1HB LYS 49 2.951 11.801 -15.285 376 2HB LYS 49 2HB LYS 49 2.857 13.038 -14.043 377 1HG LYS 49 1HG LYS 49 4.718 13.509 -16.303 378 2HG LYS 49 2HG LYS 49 2.988 13.623 -16.621 379 1HD LYS 49 1HD LYS 49 3.893 15.808 -16.047 380 2HD LYS 49 2HD LYS 49 2.769 15.260 -14.803 381 1HE LYS 49 1HE LYS 49 4.681 14.522 -13.439 382 2HE LYS 49 2HE LYS 49 5.779 15.139 -14.672 383 1HZ LYS 49 1HZ LYS 49 5.016 17.349 -14.279 384 2HZ LYS 49 2HZ LYS 49 5.432 16.664 -12.781 385 3HZ LYS 49 3HZ LYS 49 3.800 16.810 -13.225 386 H LEU 50 H LEU 50 4.168 9.586 -14.159 387 HA LEU 50 HA LEU 50 3.108 9.506 -11.466 388 1HB LEU 50 1HB LEU 50 3.399 7.370 -13.580 389 2HB LEU 50 2HB LEU 50 2.612 7.135 -12.032 390 HG LEU 50 HG LEU 50 1.694 9.072 -14.161 391 1HD1 LEU 50 1HD1 LEU 50 -0.155 7.513 -14.491 392 2HD1 LEU 50 2HD1 LEU 50 0.566 6.399 -13.330 393 3HD1 LEU 50 3HD1 LEU 50 1.394 6.748 -14.850 394 1HD2 LEU 50 1HD2 LEU 50 0.408 8.220 -11.569 395 2HD2 LEU 50 2HD2 LEU 50 -0.311 9.280 -12.782 396 3HD2 LEU 50 3HD2 LEU 50 1.127 9.796 -11.898 397 H LEU 51 H LEU 51 6.140 9.466 -12.603 398 HA LEU 51 HA LEU 51 7.076 7.561 -10.561 399 1HB LEU 51 1HB LEU 51 8.139 8.050 -13.337 400 2HB LEU 51 2HB LEU 51 9.074 7.235 -12.099 401 HG LEU 51 HG LEU 51 6.393 6.271 -13.105 402 1HD1 LEU 51 1HD1 LEU 51 9.168 5.305 -13.793 403 2HD1 LEU 51 2HD1 LEU 51 8.085 6.183 -14.873 404 3HD1 LEU 51 3HD1 LEU 51 7.652 4.567 -14.311 405 1HD2 LEU 51 1HD2 LEU 51 8.489 4.946 -11.382 406 2HD2 LEU 51 2HD2 LEU 51 6.992 4.206 -11.945 407 3HD2 LEU 51 3HD2 LEU 51 6.935 5.565 -10.824 408 H GLU 52 H GLU 52 6.654 10.557 -10.623 409 HA GLU 52 HA GLU 52 9.189 11.802 -10.594 410 1HB GLU 52 1HB GLU 52 6.649 12.623 -9.184 411 2HB GLU 52 2HB GLU 52 8.078 13.631 -9.342 412 1HG GLU 52 1HG GLU 52 7.815 13.520 -11.801 413 2HG GLU 52 2HG GLU 52 6.311 12.632 -11.557 414 HA PRO 53 HA PRO 53 9.280 11.238 -5.866 415 1HB PRO 53 1HB PRO 53 7.468 9.751 -4.573 416 2HB PRO 53 2HB PRO 53 7.139 11.428 -5.029 417 1HG PRO 53 1HG PRO 53 6.270 8.895 -6.363 418 2HG PRO 53 2HG PRO 53 5.341 10.372 -6.054 419 1HD PRO 53 1HD PRO 53 6.497 9.761 -8.465 420 2HD PRO 53 2HD PRO 53 6.152 11.414 -7.918 421 H SER 54 H SER 54 9.098 8.785 -8.087 422 HA SER 54 HA SER 54 9.876 6.608 -6.348 423 1HB SER 54 1HB SER 54 9.947 6.642 -9.369 424 2HB SER 54 2HB SER 54 9.811 5.245 -8.303 425 HG SER 54 HG SER 54 7.748 5.890 -7.758 426 H GLN 55 H GLN 55 11.876 5.335 -6.915 427 HA GLN 55 HA GLN 55 14.091 7.081 -7.796 428 1HB GLN 55 1HB GLN 55 14.297 4.982 -5.630 429 2HB GLN 55 2HB GLN 55 15.541 6.118 -6.125 430 1HG GLN 55 1HG GLN 55 14.841 7.244 -4.327 431 2HG GLN 55 2HG GLN 55 13.605 7.830 -5.437 432 1HE2 GLN 55 2HE2 GLN 55 14.305 5.811 -2.736 433 2HE2 GLN 55 1HE2 GLN 55 12.663 5.455 -2.318 434 H VAL 56 H VAL 56 12.500 5.176 -9.289 435 HA VAL 56 HA VAL 56 13.856 2.678 -9.459 436 HB VAL 56 HB VAL 56 12.048 3.840 -11.579 437 1HG1 VAL 56 1HG1 VAL 56 12.572 0.991 -10.741 438 2HG1 VAL 56 2HG1 VAL 56 13.275 1.780 -12.151 439 3HG1 VAL 56 3HG1 VAL 56 11.532 1.518 -12.064 440 1HG2 VAL 56 1HG2 VAL 56 10.179 2.760 -10.396 441 2HG2 VAL 56 2HG2 VAL 56 10.908 4.059 -9.449 442 3HG2 VAL 56 3HG2 VAL 56 11.266 2.376 -9.062 443 H HIS 57 H HIS 57 14.202 5.761 -11.034 444 HA HIS 57 HA HIS 57 15.802 6.624 -12.393 445 1HB HIS 57 1HB HIS 57 17.173 4.122 -11.492 446 2HB HIS 57 2HB HIS 57 17.889 5.073 -12.781 447 HD1 HIS 57 HD1 HIS 57 19.186 7.149 -12.106 448 HD2 HIS 57 HD2 HIS 57 16.999 5.486 -8.976 449 HE1 HIS 57 HE1 HIS 57 19.927 8.364 -10.038 450 H LEU 58 H LEU 58 13.604 5.034 -13.503 451 HA LEU 58 HA LEU 58 14.801 3.827 -15.864 452 1HB LEU 58 1HB LEU 58 11.943 4.006 -14.937 453 2HB LEU 58 2HB LEU 58 12.412 3.328 -16.484 454 HG LEU 58 HG LEU 58 13.120 2.268 -13.751 455 1HD1 LEU 58 1HD1 LEU 58 10.853 1.772 -14.511 456 2HD1 LEU 58 2HD1 LEU 58 11.850 0.317 -14.486 457 3HD1 LEU 58 3HD1 LEU 58 11.497 1.118 -16.017 458 1HD2 LEU 58 1HD2 LEU 58 15.021 2.056 -15.298 459 2HD2 LEU 58 2HD2 LEU 58 13.972 1.237 -16.455 460 3HD2 LEU 58 3HD2 LEU 58 14.313 0.492 -14.892 461 H LYS 59 H LYS 59 15.398 5.095 -17.395 462 HA LYS 59 HA LYS 59 13.987 7.589 -17.974 463 1HB LYS 59 1HB LYS 59 16.542 6.426 -19.125 464 2HB LYS 59 2HB LYS 59 15.914 8.039 -19.446 465 1HG LYS 59 1HG LYS 59 16.392 8.792 -17.300 466 2HG LYS 59 2HG LYS 59 16.504 7.158 -16.647 467 1HD LYS 59 1HD LYS 59 18.713 8.110 -16.800 468 2HD LYS 59 2HD LYS 59 18.557 6.803 -17.973 469 1HE LYS 59 1HE LYS 59 18.242 8.391 -19.761 470 2HE LYS 59 2HE LYS 59 18.239 9.729 -18.614 471 1HZ LYS 59 1HZ LYS 59 20.521 9.315 -18.095 472 2HZ LYS 59 2HZ LYS 59 20.385 9.413 -19.783 473 3HZ LYS 59 3HZ LYS 59 20.544 7.902 -19.034 474 H PHE 60 H PHE 60 12.560 7.718 -19.586 475 HA PHE 60 HA PHE 60 12.395 5.438 -21.452 476 1HB PHE 60 1HB PHE 60 10.187 7.290 -20.518 477 2HB PHE 60 2HB PHE 60 9.995 5.974 -21.670 478 HD1 PHE 60 HD1 PHE 60 10.044 6.913 -18.220 479 HD2 PHE 60 HD2 PHE 60 10.415 3.615 -20.877 480 HE1 PHE 60 HE1 PHE 60 9.566 5.370 -16.366 481 HE2 PHE 60 HE2 PHE 60 9.939 2.063 -19.029 482 HZ PHE 60 HZ PHE 60 9.513 2.943 -16.767 483 H GLU 61 H GLU 61 12.958 5.877 -23.484 484 HA GLU 61 HA GLU 61 12.486 8.616 -24.471 485 1HB GLU 61 1HB GLU 61 14.660 6.662 -25.237 486 2HB GLU 61 2HB GLU 61 14.340 8.165 -26.087 487 1HG GLU 61 1HG GLU 61 14.746 9.332 -23.871 488 2HG GLU 61 2HG GLU 61 15.385 7.787 -23.302 489 H LEU 62 H LEU 62 11.274 8.841 -26.246 490 HA LEU 62 HA LEU 62 10.350 6.432 -27.628 491 1HB LEU 62 1HB LEU 62 8.650 8.069 -26.940 492 2HB LEU 62 2HB LEU 62 9.452 9.310 -27.883 493 HG LEU 62 HG LEU 62 8.989 7.947 -29.945 494 1HD1 LEU 62 1HD1 LEU 62 8.711 5.773 -28.885 495 2HD1 LEU 62 2HD1 LEU 62 7.272 6.213 -29.805 496 3HD1 LEU 62 3HD1 LEU 62 7.271 6.350 -28.047 497 1HD2 LEU 62 1HD2 LEU 62 7.596 9.854 -29.319 498 2HD2 LEU 62 2HD2 LEU 62 6.590 8.800 -28.325 499 3HD2 LEU 62 3HD2 LEU 62 6.639 8.581 -30.075 500 H HIS 63 H HIS 63 11.544 5.775 -29.278 501 HA HIS 63 HA HIS 63 12.712 7.844 -31.008 502 1HB HIS 63 1HB HIS 63 14.014 5.350 -29.956 503 2HB HIS 63 2HB HIS 63 14.558 6.094 -31.456 504 HD1 HIS 63 HD1 HIS 63 15.676 8.442 -31.287 505 HD2 HIS 63 HD2 HIS 63 14.748 6.695 -27.623 506 HE1 HIS 63 HE1 HIS 63 16.917 9.785 -29.553 507 H ASP 64 H ASP 64 12.366 7.647 -33.092 508 HA ASP 64 HA ASP 64 10.705 5.399 -33.952 509 1HB ASP 64 1HB ASP 64 9.951 6.804 -35.739 510 2HB ASP 64 2HB ASP 64 9.920 7.769 -34.273 511 H LYS 65 H LYS 65 11.071 4.409 -36.018 512 HA LYS 65 HA LYS 65 13.578 4.914 -37.375 513 1HB LYS 65 1HB LYS 65 14.392 2.634 -37.289 514 2HB LYS 65 2HB LYS 65 14.202 3.239 -35.655 515 1HG LYS 65 1HG LYS 65 12.255 1.939 -35.300 516 2HG LYS 65 2HG LYS 65 12.141 1.523 -37.006 517 1HD LYS 65 1HD LYS 65 13.009 -0.352 -35.705 518 2HD LYS 65 2HD LYS 65 14.217 0.242 -36.842 519 1HE LYS 65 1HE LYS 65 15.311 1.474 -35.044 520 2HE LYS 65 2HE LYS 65 14.089 0.910 -33.909 521 1HZ LYS 65 1HZ LYS 65 16.117 -0.392 -33.760 522 2HZ LYS 65 2HZ LYS 65 15.988 -0.826 -35.391 523 3HZ LYS 65 3HZ LYS 65 14.823 -1.354 -34.273 524 H LEU 66 H LEU 66 13.042 5.044 -39.424 525 HA LEU 66 HA LEU 66 12.223 4.545 -41.479 526 1HB LEU 66 1HB LEU 66 12.896 2.185 -40.498 527 2HB LEU 66 2HB LEU 66 11.168 1.918 -40.532 528 HG LEU 66 HG LEU 66 12.797 2.695 -42.952 529 1HD1 LEU 66 1HD1 LEU 66 13.507 0.534 -42.101 530 2HD1 LEU 66 2HD1 LEU 66 12.612 0.351 -43.609 531 3HD1 LEU 66 3HD1 LEU 66 11.835 -0.021 -42.069 532 1HD2 LEU 66 1HD2 LEU 66 10.433 3.282 -43.122 533 2HD2 LEU 66 2HD2 LEU 66 9.983 1.631 -42.696 534 3HD2 LEU 66 3HD2 LEU 66 10.837 1.950 -44.206 535 H ASN 67 H ASN 67 9.843 2.676 -39.629 536 HA ASN 67 HA ASN 67 7.773 4.620 -40.392 537 1HB ASN 67 1HB ASN 67 7.684 2.717 -41.951 538 2HB ASN 67 2HB ASN 67 7.568 1.601 -40.596 539 1HD2 ASN 67 2HD2 ASN 67 5.619 1.345 -39.535 540 2HD2 ASN 67 1HD2 ASN 67 4.136 2.019 -40.134 541 H GLU 68 H GLU 68 9.261 2.794 -37.969 542 HA GLU 68 HA GLU 68 6.801 2.633 -36.358 543 1HB GLU 68 1HB GLU 68 9.403 1.173 -35.891 544 2HB GLU 68 2HB GLU 68 7.872 0.897 -35.075 545 1HG GLU 68 1HG GLU 68 8.474 0.371 -37.964 546 2HG GLU 68 2HG GLU 68 8.306 -0.837 -36.694 547 H TYR 69 H TYR 69 7.004 3.047 -34.073 548 HA TYR 69 HA TYR 69 9.389 4.464 -33.189 549 1HB TYR 69 1HB TYR 69 7.834 6.165 -32.012 550 2HB TYR 69 2HB TYR 69 8.173 6.387 -33.722 551 HD1 TYR 69 HD1 TYR 69 5.604 5.352 -31.280 552 HD2 TYR 69 HD2 TYR 69 6.435 6.252 -35.352 553 HE1 TYR 69 HE1 TYR 69 3.190 5.452 -31.747 554 HE2 TYR 69 HE2 TYR 69 4.029 6.341 -35.830 555 HH TYR 69 HH TYR 69 1.952 5.616 -34.976 556 H TYR 70 H TYR 70 10.009 3.777 -31.245 557 HA TYR 70 HA TYR 70 8.030 2.370 -29.587 558 1HB TYR 70 1HB TYR 70 9.636 0.560 -29.190 559 2HB TYR 70 2HB TYR 70 9.246 0.695 -30.899 560 HD1 TYR 70 HD1 TYR 70 11.854 0.613 -28.472 561 HD2 TYR 70 HD2 TYR 70 10.906 1.951 -32.393 562 HE1 TYR 70 HE1 TYR 70 14.250 0.764 -28.992 563 HE2 TYR 70 HE2 TYR 70 13.295 2.112 -32.926 564 HH TYR 70 HH TYR 70 15.726 0.769 -30.918 565 H VAL 71 H VAL 71 8.989 1.849 -27.376 566 HA VAL 71 HA VAL 71 10.359 4.286 -26.469 567 HB VAL 71 HB VAL 71 8.566 2.462 -24.859 568 1HG1 VAL 71 1HG1 VAL 71 8.606 4.271 -23.202 569 2HG1 VAL 71 2HG1 VAL 71 9.749 5.161 -24.209 570 3HG1 VAL 71 3HG1 VAL 71 10.219 3.618 -23.497 571 1HG2 VAL 71 1HG2 VAL 71 7.307 3.627 -26.600 572 2HG2 VAL 71 2HG2 VAL 71 7.971 5.168 -26.057 573 3HG2 VAL 71 3HG2 VAL 71 6.902 4.247 -25.001 574 H LYS 72 H LYS 72 12.272 4.130 -25.588 575 HA LYS 72 HA LYS 72 13.445 1.514 -25.030 576 1HB LYS 72 1HB LYS 72 14.697 4.250 -24.915 577 2HB LYS 72 2HB LYS 72 15.538 2.707 -24.889 578 1HG LYS 72 1HG LYS 72 14.765 2.258 -27.170 579 2HG LYS 72 2HG LYS 72 13.965 3.835 -27.199 580 1HD LYS 72 1HD LYS 72 16.094 4.051 -28.268 581 2HD LYS 72 2HD LYS 72 16.166 4.885 -26.719 582 1HE LYS 72 1HE LYS 72 18.098 3.719 -26.538 583 2HE LYS 72 2HE LYS 72 17.006 2.494 -25.921 584 1HZ LYS 72 1HZ LYS 72 18.579 1.637 -27.586 585 2HZ LYS 72 2HZ LYS 72 17.907 2.662 -28.749 586 3HZ LYS 72 3HZ LYS 72 16.965 1.428 -28.061 587 H VAL 73 H VAL 73 13.504 0.729 -22.968 588 HA VAL 73 HA VAL 73 13.184 2.625 -20.762 589 HB VAL 73 HB VAL 73 13.395 -0.391 -20.651 590 1HG1 VAL 73 1HG1 VAL 73 12.472 -0.156 -18.408 591 2HG1 VAL 73 2HG1 VAL 73 12.468 1.597 -18.583 592 3HG1 VAL 73 3HG1 VAL 73 13.996 0.716 -18.566 593 1HG2 VAL 73 1HG2 VAL 73 10.930 1.352 -20.624 594 2HG2 VAL 73 2HG2 VAL 73 10.960 -0.393 -20.367 595 3HG2 VAL 73 3HG2 VAL 73 11.431 0.276 -21.928 596 H ILE 74 H ILE 74 14.979 3.540 -20.061 597 HA ILE 74 HA ILE 74 17.501 2.018 -20.202 598 HB ILE 74 HB ILE 74 17.102 5.017 -20.209 599 1HG1 ILE 74 1HG1 ILE 74 17.998 3.152 -22.417 600 2HG1 ILE 74 2HG1 ILE 74 16.421 3.929 -22.313 601 1HG2 ILE 74 1HG2 ILE 74 19.171 4.393 -19.095 602 2HG2 ILE 74 2HG2 ILE 74 19.510 5.145 -20.653 603 3HG2 ILE 74 3HG2 ILE 74 19.633 3.394 -20.474 604 1HD1 ILE 74 1HD1 ILE 74 17.502 6.117 -22.499 605 2HD1 ILE 74 2HD1 ILE 74 17.846 5.084 -23.885 606 3HD1 ILE 74 3HD1 ILE 74 19.070 5.322 -22.635 607 H GLU 75 H GLU 75 18.340 1.433 -18.328 608 HA GLU 75 HA GLU 75 17.305 2.594 -15.878 609 1HB GLU 75 1HB GLU 75 17.698 0.085 -16.315 610 2HB GLU 75 2HB GLU 75 19.401 0.437 -16.091 611 1HG GLU 75 1HG GLU 75 17.305 1.076 -14.034 612 2HG GLU 75 2HG GLU 75 18.182 -0.451 -14.083 613 H ASP 76 H ASP 76 18.210 4.301 -15.043 614 HA ASP 76 HA ASP 76 20.336 5.619 -16.304 615 1HB ASP 76 1HB ASP 76 18.552 6.806 -15.179 616 2HB ASP 76 2HB ASP 76 19.033 6.127 -13.631 617 H SER 77 H SER 77 20.348 3.484 -13.515 618 HA SER 77 HA SER 77 22.877 4.412 -12.514 619 1HB SER 77 1HB SER 77 21.551 1.781 -11.862 620 2HB SER 77 2HB SER 77 22.669 2.715 -10.865 621 HG SER 77 HG SER 77 19.955 3.178 -11.437 622 H THR 78 H THR 78 21.809 1.772 -14.586 623 HA THR 78 HA THR 78 24.523 0.758 -14.834 624 HB THR 78 HB THR 78 23.306 -0.763 -16.587 625 HG1 THR 78 HG1 THR 78 21.112 0.135 -14.988 626 1HG2 THR 78 1HG2 THR 78 24.190 -1.573 -14.471 627 2HG2 THR 78 2HG2 THR 78 22.601 -2.279 -14.776 628 3HG2 THR 78 3HG2 THR 78 22.771 -0.955 -13.624 629 H ASN 79 H ASN 79 22.597 3.098 -16.254 630 HA ASN 79 HA ASN 79 23.016 4.636 -17.869 631 1HB ASN 79 1HB ASN 79 25.639 3.162 -18.132 632 2HB ASN 79 2HB ASN 79 25.237 4.603 -19.057 633 1HD2 ASN 79 2HD2 ASN 79 23.804 5.862 -16.862 634 2HD2 ASN 79 1HD2 ASN 79 25.013 6.399 -15.744 635 H GLU 80 H GLU 80 22.322 1.530 -18.427 636 HA GLU 80 HA GLU 80 22.558 1.763 -21.355 637 1HB GLU 80 1HB GLU 80 22.699 -0.663 -21.466 638 2HB GLU 80 2HB GLU 80 23.967 -0.028 -20.428 639 1HG GLU 80 1HG GLU 80 22.702 -0.646 -18.457 640 2HG GLU 80 2HG GLU 80 21.379 -1.224 -19.467 641 H VAL 81 H VAL 81 20.897 1.029 -22.633 642 HA VAL 81 HA VAL 81 18.269 1.107 -21.511 643 HB VAL 81 HB VAL 81 18.537 1.937 -23.749 644 1HG1 VAL 81 1HG1 VAL 81 20.470 0.656 -24.452 645 2HG1 VAL 81 2HG1 VAL 81 19.169 0.514 -25.635 646 3HG1 VAL 81 3HG1 VAL 81 19.496 -0.813 -24.518 647 1HG2 VAL 81 1HG2 VAL 81 16.415 0.875 -23.232 648 2HG2 VAL 81 2HG2 VAL 81 17.036 -0.669 -23.817 649 3HG2 VAL 81 3HG2 VAL 81 16.829 0.681 -24.936 650 H ILE 82 H ILE 82 17.547 -0.494 -20.305 651 HA ILE 82 HA ILE 82 18.728 -3.105 -20.450 652 HB ILE 82 HB ILE 82 17.055 -3.656 -18.627 653 1HG1 ILE 82 1HG1 ILE 82 16.603 -0.663 -18.703 654 2HG1 ILE 82 2HG1 ILE 82 15.429 -1.867 -19.216 655 1HG2 ILE 82 1HG2 ILE 82 18.333 -2.451 -16.940 656 2HG2 ILE 82 2HG2 ILE 82 18.945 -1.349 -18.173 657 3HG2 ILE 82 3HG2 ILE 82 19.392 -3.056 -18.215 658 1HD1 ILE 82 1HD1 ILE 82 14.942 -1.032 -16.988 659 2HD1 ILE 82 2HD1 ILE 82 16.530 -1.562 -16.434 660 3HD1 ILE 82 3HD1 ILE 82 15.336 -2.752 -16.953 661 H ARG 83 H ARG 83 15.647 -1.662 -21.369 662 HA ARG 83 HA ARG 83 15.137 -4.009 -23.009 663 1HB ARG 83 1HB ARG 83 14.017 -4.254 -20.748 664 2HB ARG 83 2HB ARG 83 13.007 -2.892 -21.202 665 1HG ARG 83 1HG ARG 83 12.163 -4.132 -23.112 666 2HG ARG 83 2HG ARG 83 13.194 -5.501 -22.687 667 1HD ARG 83 1HD ARG 83 12.051 -5.586 -20.484 668 2HD ARG 83 2HD ARG 83 10.951 -4.339 -21.065 669 HE ARG 83 HE ARG 83 10.054 -5.893 -22.629 670 1HH1 ARG 83 1HH1 ARG 83 12.388 -7.323 -20.431 671 2HH1 ARG 83 2HH1 ARG 83 11.834 -8.948 -20.710 672 1HH2 ARG 83 1HH2 ARG 83 9.309 -8.047 -22.955 673 2HH2 ARG 83 2HH2 ARG 83 10.069 -9.353 -22.103 674 H GLU 84 H GLU 84 14.118 -3.531 -24.896 675 HA GLU 84 HA GLU 84 13.117 -0.786 -25.226 676 1HB GLU 84 1HB GLU 84 14.004 -2.736 -27.365 677 2HB GLU 84 2HB GLU 84 13.473 -1.080 -27.632 678 1HG GLU 84 1HG GLU 84 15.393 -0.322 -26.220 679 2HG GLU 84 2HG GLU 84 15.954 -1.992 -26.196 680 H ILE 85 H ILE 85 10.986 -0.516 -25.555 681 HA ILE 85 HA ILE 85 9.390 -2.973 -25.826 682 HB ILE 85 HB ILE 85 8.567 -0.294 -24.689 683 1HG1 ILE 85 1HG1 ILE 85 9.127 -2.929 -23.304 684 2HG1 ILE 85 2HG1 ILE 85 10.176 -1.515 -23.266 685 1HG2 ILE 85 1HG2 ILE 85 7.086 -2.919 -24.820 686 2HG2 ILE 85 2HG2 ILE 85 6.696 -1.451 -25.718 687 3HG2 ILE 85 3HG2 ILE 85 6.538 -1.477 -23.963 688 1HD1 ILE 85 1HD1 ILE 85 8.450 -0.257 -22.096 689 2HD1 ILE 85 2HD1 ILE 85 8.879 -1.727 -21.220 690 3HD1 ILE 85 3HD1 ILE 85 7.383 -1.659 -22.152 691 HA PRO 86 HA PRO 86 8.402 -1.296 -29.872 692 1HB PRO 86 1HB PRO 86 6.974 -3.438 -30.703 693 2HB PRO 86 2HB PRO 86 8.740 -3.425 -30.680 694 1HG PRO 86 1HG PRO 86 6.828 -4.604 -28.696 695 2HG PRO 86 2HG PRO 86 8.321 -5.296 -29.361 696 1HD PRO 86 1HD PRO 86 8.219 -4.131 -26.918 697 2HD PRO 86 2HD PRO 86 9.669 -4.078 -27.939 698 HA PRO 87 HA PRO 87 4.651 0.816 -29.474 699 1HB PRO 87 1HB PRO 87 3.719 -0.507 -31.983 700 2HB PRO 87 2HB PRO 87 3.728 1.207 -31.552 701 1HG PRO 87 1HG PRO 87 5.570 0.199 -33.197 702 2HG PRO 87 2HG PRO 87 5.985 1.445 -32.006 703 1HD PRO 87 1HD PRO 87 6.614 -1.453 -32.007 704 2HD PRO 87 2HD PRO 87 7.518 -0.098 -31.303 705 H LYS 88 H LYS 88 3.951 -2.463 -30.707 706 HA LYS 88 HA LYS 88 1.273 -2.446 -29.855 707 1HB LYS 88 1HB LYS 88 1.329 -4.896 -30.245 708 2HB LYS 88 2HB LYS 88 1.917 -3.943 -31.599 709 1HG LYS 88 1HG LYS 88 4.163 -4.536 -31.163 710 2HG LYS 88 2HG LYS 88 3.753 -5.203 -29.578 711 1HD LYS 88 1HD LYS 88 2.730 -6.301 -32.197 712 2HD LYS 88 2HD LYS 88 4.146 -6.926 -31.347 713 1HE LYS 88 1HE LYS 88 2.814 -7.542 -29.449 714 2HE LYS 88 2HE LYS 88 1.394 -6.747 -30.128 715 1HZ LYS 88 1HZ LYS 88 1.458 -9.216 -30.356 716 2HZ LYS 88 2HZ LYS 88 2.751 -9.036 -31.442 717 3HZ LYS 88 3HZ LYS 88 1.231 -8.373 -31.810 718 H ARG 89 H ARG 89 4.203 -3.324 -28.145 719 HA ARG 89 HA ARG 89 2.607 -4.655 -26.088 720 1HB ARG 89 1HB ARG 89 5.589 -4.554 -26.509 721 2HB ARG 89 2HB ARG 89 4.822 -5.321 -25.123 722 1HG ARG 89 1HG ARG 89 3.489 -6.630 -26.929 723 2HG ARG 89 2HG ARG 89 4.817 -6.144 -27.988 724 1HD ARG 89 1HD ARG 89 5.047 -7.678 -25.403 725 2HD ARG 89 2HD ARG 89 5.247 -8.332 -27.024 726 HE ARG 89 HE ARG 89 7.076 -6.422 -25.721 727 1HH1 ARG 89 1HH1 ARG 89 6.426 -8.904 -28.117 728 2HH1 ARG 89 2HH1 ARG 89 8.103 -9.112 -28.532 729 1HH2 ARG 89 1HH2 ARG 89 9.284 -6.706 -26.258 730 2HH2 ARG 89 2HH2 ARG 89 9.727 -7.881 -27.470 731 H TRP 90 H TRP 90 3.535 -1.597 -26.723 732 HA TRP 90 HA TRP 90 4.340 -0.712 -24.140 733 1HB TRP 90 1HB TRP 90 4.777 0.684 -26.074 734 2HB TRP 90 2HB TRP 90 3.061 0.756 -26.460 735 HD1 TRP 90 HD1 TRP 90 1.732 2.725 -25.471 736 HE1 TRP 90 HE1 TRP 90 2.229 4.603 -23.789 737 HE3 TRP 90 HE3 TRP 90 6.273 1.106 -23.786 738 HZ2 TRP 90 HZ2 TRP 90 4.285 5.306 -21.979 739 HZ3 TRP 90 HZ3 TRP 90 7.440 2.437 -22.077 740 HH2 TRP 90 HH2 TRP 90 6.465 4.493 -21.193 741 H LEU 91 H LEU 91 1.330 -1.405 -25.678 742 HA LEU 91 HA LEU 91 -0.427 0.052 -24.064 743 1HB LEU 91 1HB LEU 91 -0.922 -2.584 -25.458 744 2HB LEU 91 2HB LEU 91 -2.152 -1.468 -24.897 745 HG LEU 91 HG LEU 91 -0.119 -0.825 -27.036 746 1HD1 LEU 91 1HD1 LEU 91 -1.986 -1.035 -28.602 747 2HD1 LEU 91 2HD1 LEU 91 -3.021 -1.597 -27.289 748 3HD1 LEU 91 3HD1 LEU 91 -1.638 -2.565 -27.795 749 1HD2 LEU 91 1HD2 LEU 91 -2.583 0.634 -26.090 750 2HD2 LEU 91 2HD2 LEU 91 -1.591 1.095 -27.473 751 3HD2 LEU 91 3HD2 LEU 91 -0.913 1.139 -25.846 752 H ASP 92 H ASP 92 0.714 -3.321 -23.734 753 HA ASP 92 HA ASP 92 -0.782 -3.769 -21.356 754 1HB ASP 92 1HB ASP 92 -0.024 -5.644 -22.754 755 2HB ASP 92 2HB ASP 92 1.651 -5.262 -22.353 756 H PHE 93 H PHE 93 2.501 -2.675 -22.023 757 HA PHE 93 HA PHE 93 3.457 -2.709 -19.381 758 1HB PHE 93 1HB PHE 93 4.960 -2.367 -21.279 759 2HB PHE 93 2HB PHE 93 4.167 -0.841 -21.659 760 HD1 PHE 93 HD1 PHE 93 6.159 -2.568 -19.050 761 HD2 PHE 93 HD2 PHE 93 4.880 1.150 -20.678 762 HE1 PHE 93 HE1 PHE 93 7.734 -1.384 -17.573 763 HE2 PHE 93 HE2 PHE 93 6.445 2.342 -19.202 764 HZ PHE 93 HZ PHE 93 7.873 1.075 -17.648 765 H TYR 94 H TYR 94 1.771 -0.204 -21.239 766 HA TYR 94 HA TYR 94 1.693 1.742 -19.223 767 1HB TYR 94 1HB TYR 94 1.177 2.269 -21.544 768 2HB TYR 94 2HB TYR 94 -0.249 1.240 -21.482 769 HD1 TYR 94 HD1 TYR 94 -2.284 2.259 -21.155 770 HD2 TYR 94 HD2 TYR 94 1.215 4.156 -19.649 771 HE1 TYR 94 HE1 TYR 94 -3.646 4.162 -20.404 772 HE2 TYR 94 HE2 TYR 94 -0.140 6.064 -18.893 773 HH TYR 94 HH TYR 94 -2.209 7.107 -19.252 774 H ALA 95 H ALA 95 -0.536 -0.892 -20.012 775 HA ALA 95 HA ALA 95 -2.480 -0.311 -18.059 776 1HB ALA 95 1HB ALA 95 -3.218 -2.614 -18.345 777 2HB ALA 95 2HB ALA 95 -1.720 -3.006 -19.191 778 3HB ALA 95 3HB ALA 95 -2.869 -1.876 -19.909 779 H ALA 96 H ALA 96 0.381 -2.401 -17.981 780 HA ALA 96 HA ALA 96 0.113 -3.371 -15.377 781 1HB ALA 96 1HB ALA 96 2.527 -3.789 -15.485 782 2HB ALA 96 2HB ALA 96 2.628 -2.783 -16.930 783 3HB ALA 96 3HB ALA 96 1.706 -4.286 -16.964 784 H MET 97 H MET 97 1.795 -0.494 -16.581 785 HA MET 97 HA MET 97 2.863 0.320 -14.117 786 1HB MET 97 1HB MET 97 2.196 1.914 -16.589 787 2HB MET 97 2HB MET 97 3.087 2.559 -15.216 788 1HG MET 97 1HG MET 97 3.943 0.187 -16.853 789 2HG MET 97 2HG MET 97 4.523 1.834 -17.088 790 1HE MET 97 1HE MET 97 4.930 3.023 -14.286 791 2HE MET 97 2HE MET 97 6.183 3.068 -15.527 792 3HE MET 97 3HE MET 97 6.578 2.535 -13.892 793 H THR 98 H THR 98 -0.247 1.059 -15.639 794 HA THR 98 HA THR 98 -0.922 3.036 -13.671 795 HB THR 98 HB THR 98 -3.283 2.724 -14.683 796 HG1 THR 98 HG1 THR 98 -1.821 1.487 -16.781 797 1HG2 THR 98 1HG2 THR 98 -0.984 3.617 -16.429 798 2HG2 THR 98 2HG2 THR 98 -1.808 4.602 -15.218 799 3HG2 THR 98 3HG2 THR 98 -2.677 4.056 -16.651 800 H GLU 99 H GLU 99 -1.695 -0.404 -14.112 801 HA GLU 99 HA GLU 99 -3.449 -0.556 -11.892 802 1HB GLU 99 1HB GLU 99 -1.706 -2.697 -13.127 803 2HB GLU 99 2HB GLU 99 -2.915 -2.999 -11.890 804 1HG GLU 99 1HG GLU 99 -4.578 -1.941 -13.514 805 2HG GLU 99 2HG GLU 99 -3.315 -2.139 -14.729 806 H PHE 100 H PHE 100 0.001 -0.603 -12.218 807 HA PHE 100 HA PHE 100 0.506 -1.456 -9.515 808 1HB PHE 100 1HB PHE 100 2.021 -2.089 -11.291 809 2HB PHE 100 2HB PHE 100 2.300 -0.406 -11.706 810 HD1 PHE 100 HD1 PHE 100 4.157 0.653 -10.887 811 HD2 PHE 100 HD2 PHE 100 2.655 -2.765 -8.840 812 HE1 PHE 100 HE1 PHE 100 6.111 0.691 -9.396 813 HE2 PHE 100 HE2 PHE 100 4.605 -2.725 -7.341 814 HZ PHE 100 HZ PHE 100 6.338 -1.000 -7.629 815 H LEU 101 H LEU 101 1.128 1.579 -11.318 816 HA LEU 101 HA LEU 101 2.030 2.920 -8.960 817 1HB LEU 101 1HB LEU 101 1.305 4.015 -11.676 818 2HB LEU 101 2HB LEU 101 2.064 4.939 -10.396 819 HG LEU 101 HG LEU 101 3.273 2.529 -11.754 820 1HD1 LEU 101 1HD1 LEU 101 4.830 4.166 -12.724 821 2HD1 LEU 101 2HD1 LEU 101 3.865 5.470 -12.031 822 3HD1 LEU 101 3HD1 LEU 101 3.169 4.414 -13.260 823 1HD2 LEU 101 1HD2 LEU 101 5.302 3.142 -10.549 824 2HD2 LEU 101 2HD2 LEU 101 3.991 2.767 -9.431 825 3HD2 LEU 101 3HD2 LEU 101 4.438 4.446 -9.738 826 H GLY 102 H GLY 102 -1.059 2.597 -10.536 827 1HA GLY 102 1HA GLY 102 -2.280 4.861 -9.293 828 2HA GLY 102 2HA GLY 102 -3.124 3.529 -10.053 829 H LEU 103 H LEU 103 -1.173 1.990 -8.029 830 HA LEU 103 HA LEU 103 -3.164 1.849 -5.909 831 1HB LEU 103 1HB LEU 103 -0.599 0.325 -6.352 832 2HB LEU 103 2HB LEU 103 -1.673 0.062 -4.993 833 HG LEU 103 HG LEU 103 -2.334 -0.402 -7.900 834 1HD1 LEU 103 1HD1 LEU 103 -1.929 -2.324 -5.613 835 2HD1 LEU 103 2HD1 LEU 103 -0.840 -2.083 -6.980 836 3HD1 LEU 103 3HD1 LEU 103 -2.448 -2.757 -7.241 837 1HD2 LEU 103 1HD2 LEU 103 -4.451 -1.319 -7.087 838 2HD2 LEU 103 2HD2 LEU 103 -4.292 0.389 -6.676 839 3HD2 LEU 103 3HD2 LEU 103 -4.027 -0.842 -5.442 840 H PHE 104 H PHE 104 -0.497 3.725 -6.569 841 HA PHE 104 HA PHE 104 0.105 4.131 -3.710 842 1HB PHE 104 1HB PHE 104 1.803 4.825 -6.118 843 2HB PHE 104 2HB PHE 104 2.252 5.077 -4.437 844 HD1 PHE 104 HD1 PHE 104 2.423 2.999 -2.946 845 HD2 PHE 104 HD2 PHE 104 2.332 2.843 -7.198 846 HE1 PHE 104 HE1 PHE 104 3.437 0.758 -2.885 847 HE2 PHE 104 HE2 PHE 104 3.350 0.605 -7.143 848 HZ PHE 104 HZ PHE 104 3.901 -0.440 -4.986 849 H VAL 105 H VAL 105 -1.963 5.316 -5.705 850 HA VAL 105 HA VAL 105 -1.212 8.071 -5.933 851 HB VAL 105 HB VAL 105 -3.459 8.419 -6.860 852 1HG1 VAL 105 1HG1 VAL 105 -3.239 6.935 -8.809 853 2HG1 VAL 105 2HG1 VAL 105 -2.014 6.016 -7.933 854 3HG1 VAL 105 3HG1 VAL 105 -1.720 7.703 -8.352 855 1HG2 VAL 105 1HG2 VAL 105 -4.987 6.533 -7.158 856 2HG2 VAL 105 2HG2 VAL 105 -4.710 6.873 -5.451 857 3HG2 VAL 105 3HG2 VAL 105 -3.903 5.507 -6.222 858 H ASP 106 H ASP 106 -2.347 9.843 -5.027 859 HA ASP 106 HA ASP 106 -3.037 9.389 -2.243 860 1HB ASP 106 1HB ASP 106 -1.458 11.182 -2.736 861 2HB ASP 106 2HB ASP 106 -2.631 11.959 -3.793 862 H GLU 107 H GLU 107 -4.995 8.363 -2.593 863 HA GLU 107 HA GLU 107 -7.237 8.117 -3.006 864 1HB GLU 107 1HB GLU 107 -7.007 9.060 -0.723 865 2HB GLU 107 2HB GLU 107 -7.294 10.665 -1.388 866 1HG GLU 107 1HG GLU 107 -9.443 9.526 -2.367 867 2HG GLU 107 2HG GLU 107 -9.173 8.387 -1.051 868 H LYS 108 H LYS 108 -7.426 11.643 -2.903 869 HA LYS 108 HA LYS 108 -9.499 11.964 -4.611 870 1HB LYS 108 1HB LYS 108 -8.602 13.687 -3.140 871 2HB LYS 108 2HB LYS 108 -7.137 13.774 -4.108 872 1HG LYS 108 1HG LYS 108 -8.523 14.498 -6.015 873 2HG LYS 108 2HG LYS 108 -9.905 14.562 -4.922 874 1HD LYS 108 1HD LYS 108 -8.659 16.169 -3.508 875 2HD LYS 108 2HD LYS 108 -7.353 16.158 -4.693 876 1HE LYS 108 1HE LYS 108 -8.771 18.095 -5.024 877 2HE LYS 108 2HE LYS 108 -8.910 16.997 -6.395 878 1HZ LYS 108 1HZ LYS 108 -10.997 16.212 -5.588 879 2HZ LYS 108 2HZ LYS 108 -11.055 17.907 -5.594 880 3HZ LYS 108 3HZ LYS 108 -10.835 17.076 -4.136 881 H LYS 109 H LYS 109 -6.081 11.792 -5.430 882 HA LYS 109 HA LYS 109 -6.627 12.411 -8.215 883 1HB LYS 109 1HB LYS 109 -4.085 11.966 -6.663 884 2HB LYS 109 2HB LYS 109 -4.100 12.143 -8.414 885 1HG LYS 109 1HG LYS 109 -5.113 14.354 -8.184 886 2HG LYS 109 2HG LYS 109 -5.112 14.174 -6.430 887 1HD LYS 109 1HD LYS 109 -2.627 14.084 -8.133 888 2HD LYS 109 2HD LYS 109 -3.228 15.547 -7.350 889 1HE LYS 109 1HE LYS 109 -3.043 14.431 -5.167 890 2HE LYS 109 2HE LYS 109 -2.409 12.994 -5.969 891 1HZ LYS 109 1HZ LYS 109 -0.678 14.458 -5.003 892 2HZ LYS 109 2HZ LYS 109 -1.126 15.669 -6.099 893 3HZ LYS 109 3HZ LYS 109 -0.489 14.201 -6.671 894 H LEU 110 H LEU 110 -7.521 9.871 -6.874 895 HA LEU 110 HA LEU 110 -6.114 7.809 -8.300 896 1HB LEU 110 1HB LEU 110 -7.441 6.315 -7.192 897 2HB LEU 110 2HB LEU 110 -7.591 7.680 -6.115 898 HG LEU 110 HG LEU 110 -9.622 7.003 -8.238 899 1HD1 LEU 110 1HD1 LEU 110 -9.639 6.377 -5.291 900 2HD1 LEU 110 2HD1 LEU 110 -9.498 5.208 -6.603 901 3HD1 LEU 110 3HD1 LEU 110 -10.987 6.131 -6.402 902 1HD2 LEU 110 1HD2 LEU 110 -9.774 8.850 -5.859 903 2HD2 LEU 110 2HD2 LEU 110 -11.080 8.508 -6.993 904 3HD2 LEU 110 3HD2 LEU 110 -9.633 9.351 -7.544 905 H GLU 111 H GLU 111 -8.533 10.071 -8.964 906 HA GLU 111 HA GLU 111 -9.529 10.743 -10.854 907 1HB GLU 111 1HB GLU 111 -7.326 9.912 -11.846 908 2HB GLU 111 2HB GLU 111 -8.227 8.485 -12.343 909 1HG GLU 111 1HG GLU 111 -9.572 10.946 -13.056 910 2HG GLU 111 2HG GLU 111 -7.954 10.830 -13.733 911 H HIS 112 H HIS 112 -9.476 7.177 -10.788 912 HA HIS 112 HA HIS 112 -12.081 7.094 -12.046 913 1HB HIS 112 1HB HIS 112 -10.268 4.903 -11.033 914 2HB HIS 112 2HB HIS 112 -11.804 4.619 -11.834 915 HD1 HIS 112 HD1 HIS 112 -11.805 4.601 -14.345 916 HD2 HIS 112 HD2 HIS 112 -8.294 6.103 -12.723 917 HE1 HIS 112 HE1 HIS 112 -10.195 4.770 -16.269 918 H HIS 113 H HIS 113 -13.878 5.910 -11.133 919 HA HIS 113 HA HIS 113 -14.245 6.460 -8.325 920 1HB HIS 113 1HB HIS 113 -16.035 6.714 -10.117 921 2HB HIS 113 2HB HIS 113 -16.119 4.957 -10.159 922 HD1 HIS 113 HD1 HIS 113 -17.799 3.952 -8.643 923 HD2 HIS 113 HD2 HIS 113 -16.625 7.741 -7.393 924 HE1 HIS 113 HE1 HIS 113 -19.270 4.505 -6.676 925 H HIS 114 H HIS 114 -12.312 4.992 -7.972 926 HA HIS 114 HA HIS 114 -12.849 2.141 -8.139 927 1HB HIS 114 1HB HIS 114 -10.592 3.375 -8.599 928 2HB HIS 114 2HB HIS 114 -10.417 3.352 -6.850 929 HD1 HIS 114 HD1 HIS 114 -9.418 1.523 -9.690 930 HD2 HIS 114 HD2 HIS 114 -10.799 0.445 -5.911 931 HE1 HIS 114 HE1 HIS 114 -8.666 -0.854 -9.342 932 H HIS 115 H HIS 115 -11.568 4.198 -5.533 933 HA HIS 115 HA HIS 115 -13.604 3.725 -3.667 934 1HB HIS 115 1HB HIS 115 -11.849 1.509 -3.910 935 2HB HIS 115 2HB HIS 115 -11.419 2.325 -2.411 936 HD1 HIS 115 HD1 HIS 115 -13.360 2.535 -0.593 937 HD2 HIS 115 HD2 HIS 115 -14.181 0.058 -3.837 938 HE1 HIS 115 HE1 HIS 115 -15.326 1.133 0.101 939 H HIS 116 H HIS 116 -13.425 5.390 -2.252 940 HA HIS 116 HA HIS 116 -10.874 6.807 -2.155 941 1HB HIS 116 1HB HIS 116 -13.612 7.563 -1.120 942 2HB HIS 116 2HB HIS 116 -12.176 8.561 -0.931 943 HD1 HIS 116 HD1 HIS 116 -14.761 7.553 -3.392 944 HD2 HIS 116 HD2 HIS 116 -11.250 9.778 -3.323 945 HE1 HIS 116 HE1 HIS 116 -14.747 8.862 -5.545 946 H HIS 117 H HIS 117 -9.597 5.600 -0.855 947 HA HIS 117 HA HIS 117 -10.402 5.460 1.967 948 1HB HIS 117 1HB HIS 117 -10.400 3.198 1.156 949 2HB HIS 117 2HB HIS 117 -8.851 3.424 0.356 950 HD1 HIS 117 HD1 HIS 117 -10.343 3.061 3.817 951 HD2 HIS 117 HD2 HIS 117 -6.639 2.936 1.929 952 HE1 HIS 117 HE1 HIS 117 -8.729 2.225 5.546 Start of MODEL 17 1 HA LEU 1 HA LEU 1 2.751 1.480 0.446 2 1HB LEU 1 1HB LEU 1 0.214 2.497 -0.839 3 2HB LEU 1 2HB LEU 1 1.615 1.969 -1.750 4 HG LEU 1 HG LEU 1 -0.001 0.227 0.114 5 1HD1 LEU 1 1HD1 LEU 1 -0.826 -0.841 -1.891 6 2HD1 LEU 1 2HD1 LEU 1 0.120 0.254 -2.897 7 3HD1 LEU 1 3HD1 LEU 1 -1.214 0.880 -1.926 8 1HD2 LEU 1 1HD2 LEU 1 1.319 -1.603 -0.797 9 2HD2 LEU 1 2HD2 LEU 1 2.368 -0.409 -0.033 10 3HD2 LEU 1 3HD2 LEU 1 2.234 -0.469 -1.790 11 H ASN 2 H ASN 2 4.434 2.831 0.465 12 HA ASN 2 HA ASN 2 3.956 5.608 -0.381 13 1HB ASN 2 1HB ASN 2 6.266 6.049 0.571 14 2HB ASN 2 2HB ASN 2 5.001 5.682 1.730 15 1HD2 ASN 2 2HD2 ASN 2 6.683 3.264 -0.239 16 2HD2 ASN 2 1HD2 ASN 2 7.490 2.504 1.099 17 H ILE 3 H ILE 3 4.997 6.468 -2.118 18 HA ILE 3 HA ILE 3 6.262 4.480 -3.865 19 HB ILE 3 HB ILE 3 4.271 5.661 -4.725 20 1HG1 ILE 3 1HG1 ILE 3 6.810 6.392 -6.205 21 2HG1 ILE 3 2HG1 ILE 3 6.006 4.829 -6.284 22 1HG2 ILE 3 1HG2 ILE 3 4.536 7.780 -3.585 23 2HG2 ILE 3 2HG2 ILE 3 4.430 8.039 -5.326 24 3HG2 ILE 3 3HG2 ILE 3 5.995 8.125 -4.517 25 1HD1 ILE 3 1HD1 ILE 3 5.505 6.167 -8.238 26 2HD1 ILE 3 2HD1 ILE 3 4.866 7.453 -7.216 27 3HD1 ILE 3 3HD1 ILE 3 4.047 5.892 -7.286 28 H GLU 4 H GLU 4 7.044 7.098 -1.898 29 HA GLU 4 HA GLU 4 8.958 8.440 -3.491 30 1HB GLU 4 1HB GLU 4 8.669 8.422 -0.483 31 2HB GLU 4 2HB GLU 4 9.533 9.622 -1.440 32 1HG GLU 4 1HG GLU 4 7.437 10.243 -2.538 33 2HG GLU 4 2HG GLU 4 6.578 9.063 -1.550 34 H ARG 5 H ARG 5 9.143 5.484 -1.823 35 HA ARG 5 HA ARG 5 12.040 5.497 -2.241 36 1HB ARG 5 1HB ARG 5 12.197 4.002 -0.168 37 2HB ARG 5 2HB ARG 5 11.994 5.726 0.078 38 1HG ARG 5 1HG ARG 5 9.615 5.389 0.522 39 2HG ARG 5 2HG ARG 5 9.817 3.653 0.267 40 1HD ARG 5 1HD ARG 5 11.343 3.524 2.137 41 2HD ARG 5 2HD ARG 5 11.281 5.271 2.348 42 HE ARG 5 HE ARG 5 8.723 3.946 2.558 43 1HH1 ARG 5 1HH1 ARG 5 11.576 5.058 4.254 44 2HH1 ARG 5 2HH1 ARG 5 10.802 5.067 5.811 45 1HH2 ARG 5 1HH2 ARG 5 7.699 3.980 4.598 46 2HH2 ARG 5 2HH2 ARG 5 8.597 4.471 6.001 47 H LEU 6 H LEU 6 9.566 4.469 -3.583 48 HA LEU 6 HA LEU 6 9.837 1.603 -3.563 49 1HB LEU 6 1HB LEU 6 7.691 2.664 -4.083 50 2HB LEU 6 2HB LEU 6 8.412 3.483 -5.455 51 HG LEU 6 HG LEU 6 8.819 1.266 -6.504 52 1HD1 LEU 6 1HD1 LEU 6 7.609 -0.680 -5.631 53 2HD1 LEU 6 2HD1 LEU 6 7.159 0.252 -4.203 54 3HD1 LEU 6 3HD1 LEU 6 8.854 -0.117 -4.515 55 1HD2 LEU 6 1HD2 LEU 6 6.515 0.910 -7.178 56 2HD2 LEU 6 2HD2 LEU 6 6.870 2.634 -7.074 57 3HD2 LEU 6 3HD2 LEU 6 5.947 1.844 -5.795 58 H THR 7 H THR 7 11.437 0.544 -4.563 59 HA THR 7 HA THR 7 12.674 1.806 -6.914 60 HB THR 7 HB THR 7 14.141 2.191 -5.013 61 HG1 THR 7 HG1 THR 7 14.984 0.317 -6.961 62 1HG2 THR 7 1HG2 THR 7 14.191 -0.810 -4.694 63 2HG2 THR 7 2HG2 THR 7 13.430 0.335 -3.590 64 3HG2 THR 7 3HG2 THR 7 15.182 0.338 -3.798 65 H THR 8 H THR 8 10.714 -0.494 -6.412 66 HA THR 8 HA THR 8 12.193 -2.447 -8.024 67 HB THR 8 HB THR 8 12.019 -3.456 -5.850 68 HG1 THR 8 HG1 THR 8 11.146 -5.338 -6.526 69 1HG2 THR 8 1HG2 THR 8 9.048 -2.915 -6.009 70 2HG2 THR 8 2HG2 THR 8 10.193 -2.128 -4.922 71 3HG2 THR 8 3HG2 THR 8 9.857 -3.849 -4.749 72 H LEU 9 H LEU 9 11.218 -3.180 -9.780 73 HA LEU 9 HA LEU 9 8.319 -2.774 -10.088 74 1HB LEU 9 1HB LEU 9 10.506 -2.543 -12.154 75 2HB LEU 9 2HB LEU 9 8.817 -2.716 -12.583 76 HG LEU 9 HG LEU 9 10.071 -0.410 -11.091 77 1HD1 LEU 9 1HD1 LEU 9 8.778 -0.605 -13.809 78 2HD1 LEU 9 2HD1 LEU 9 10.501 -0.406 -13.487 79 3HD1 LEU 9 3HD1 LEU 9 9.367 0.875 -13.053 80 1HD2 LEU 9 1HD2 LEU 9 7.183 -0.894 -11.826 81 2HD2 LEU 9 2HD2 LEU 9 7.837 0.601 -11.155 82 3HD2 LEU 9 3HD2 LEU 9 7.854 -0.879 -10.195 83 H GLN 10 H GLN 10 9.998 -4.983 -9.041 84 HA GLN 10 HA GLN 10 10.394 -7.034 -10.871 85 1HB GLN 10 1HB GLN 10 11.170 -6.863 -8.443 86 2HB GLN 10 2HB GLN 10 9.599 -7.519 -8.011 87 1HG GLN 10 1HG GLN 10 11.232 -9.282 -8.076 88 2HG GLN 10 2HG GLN 10 10.067 -9.501 -9.381 89 1HE2 GLN 10 2HE2 GLN 10 10.720 -9.222 -11.502 90 2HE2 GLN 10 1HE2 GLN 10 12.391 -9.164 -11.955 91 HA PRO 11 HA PRO 11 5.926 -8.734 -9.737 92 1HB PRO 11 1HB PRO 11 4.555 -6.187 -9.094 93 2HB PRO 11 2HB PRO 11 4.386 -7.777 -8.344 94 1HG PRO 11 1HG PRO 11 5.662 -5.796 -7.093 95 2HG PRO 11 2HG PRO 11 6.228 -7.472 -6.974 96 1HD PRO 11 1HD PRO 11 7.296 -5.223 -8.630 97 2HD PRO 11 2HD PRO 11 8.174 -6.480 -7.737 98 H VAL 12 H VAL 12 6.513 -5.569 -11.135 99 HA VAL 12 HA VAL 12 4.342 -5.616 -12.984 100 HB VAL 12 HB VAL 12 6.915 -4.030 -13.138 101 1HG1 VAL 12 1HG1 VAL 12 5.620 -2.499 -14.560 102 2HG1 VAL 12 2HG1 VAL 12 4.249 -3.607 -14.489 103 3HG1 VAL 12 3HG1 VAL 12 5.750 -4.109 -15.270 104 1HG2 VAL 12 1HG2 VAL 12 4.251 -3.289 -11.931 105 2HG2 VAL 12 2HG2 VAL 12 5.632 -2.209 -12.118 106 3HG2 VAL 12 3HG2 VAL 12 5.744 -3.606 -11.047 107 H TRP 13 H TRP 13 7.792 -6.385 -13.183 108 HA TRP 13 HA TRP 13 7.843 -7.045 -15.918 109 1HB TRP 13 1HB TRP 13 9.609 -7.788 -13.601 110 2HB TRP 13 2HB TRP 13 9.902 -8.426 -15.213 111 HD1 TRP 13 HD1 TRP 13 11.311 -5.917 -13.197 112 HE1 TRP 13 HE1 TRP 13 12.197 -3.907 -14.544 113 HE3 TRP 13 HE3 TRP 13 8.833 -6.731 -17.594 114 HZ2 TRP 13 HZ2 TRP 13 11.882 -2.817 -17.137 115 HZ3 TRP 13 HZ3 TRP 13 9.172 -5.155 -19.453 116 HH2 TRP 13 HH2 TRP 13 10.661 -3.237 -19.223 117 H ASP 14 H ASP 14 7.178 -8.989 -13.045 118 HA ASP 14 HA ASP 14 7.084 -11.500 -14.326 119 1HB ASP 14 1HB ASP 14 7.154 -11.162 -11.841 120 2HB ASP 14 2HB ASP 14 5.472 -10.641 -11.909 121 H ARG 15 H ARG 15 4.514 -9.176 -13.546 122 HA ARG 15 HA ARG 15 2.396 -10.591 -14.733 123 1HB ARG 15 1HB ARG 15 1.907 -8.762 -13.252 124 2HB ARG 15 2HB ARG 15 2.796 -7.629 -14.264 125 1HG ARG 15 1HG ARG 15 1.143 -8.005 -16.062 126 2HG ARG 15 2HG ARG 15 0.225 -9.026 -14.958 127 1HD ARG 15 1HD ARG 15 -0.224 -7.193 -13.510 128 2HD ARG 15 2HD ARG 15 0.922 -6.160 -14.366 129 HE ARG 15 HE ARG 15 -0.813 -6.781 -16.316 130 1HH1 ARG 15 1HH1 ARG 15 -1.360 -5.660 -13.037 131 2HH1 ARG 15 2HH1 ARG 15 -2.820 -4.809 -13.448 132 1HH2 ARG 15 1HH2 ARG 15 -2.723 -5.632 -16.845 133 2HH2 ARG 15 2HH2 ARG 15 -3.577 -4.788 -15.573 134 H TYR 16 H TYR 16 4.547 -8.099 -16.060 135 HA TYR 16 HA TYR 16 3.389 -7.797 -18.565 136 1HB TYR 16 1HB TYR 16 5.224 -6.387 -17.650 137 2HB TYR 16 2HB TYR 16 6.344 -7.717 -17.914 138 HD1 TYR 16 HD1 TYR 16 7.644 -7.608 -19.790 139 HD2 TYR 16 HD2 TYR 16 3.810 -5.774 -19.875 140 HE1 TYR 16 HE1 TYR 16 8.089 -6.801 -22.064 141 HE2 TYR 16 HE2 TYR 16 4.242 -4.959 -22.159 142 HH TYR 16 HH TYR 16 6.082 -4.493 -23.634 143 H ASP 17 H ASP 17 5.994 -10.048 -17.633 144 HA ASP 17 HA ASP 17 6.191 -11.304 -20.143 145 1HB ASP 17 1HB ASP 17 7.961 -11.585 -18.532 146 2HB ASP 17 2HB ASP 17 6.858 -12.330 -17.378 147 H THR 18 H THR 18 4.195 -12.029 -17.320 148 HA THR 18 HA THR 18 3.282 -14.523 -18.373 149 HB THR 18 HB THR 18 1.588 -14.376 -16.475 150 HG1 THR 18 HG1 THR 18 3.177 -12.275 -15.466 151 1HG2 THR 18 1HG2 THR 18 3.299 -14.791 -14.751 152 2HG2 THR 18 2HG2 THR 18 4.528 -14.131 -15.830 153 3HG2 THR 18 3HG2 THR 18 3.676 -15.613 -16.264 154 H GLN 19 H GLN 19 2.373 -11.321 -19.053 155 HA GLN 19 HA GLN 19 -0.167 -12.296 -20.143 156 1HB GLN 19 1HB GLN 19 0.851 -9.472 -19.936 157 2HB GLN 19 2HB GLN 19 -0.703 -9.965 -20.590 158 1HG GLN 19 1HG GLN 19 -1.332 -10.859 -18.398 159 2HG GLN 19 2HG GLN 19 0.217 -10.311 -17.749 160 1HE2 GLN 19 2HE2 GLN 19 -2.905 -9.335 -18.919 161 2HE2 GLN 19 1HE2 GLN 19 -2.807 -7.680 -18.403 162 H ILE 20 H ILE 20 2.881 -10.837 -21.067 163 HA ILE 20 HA ILE 20 2.384 -10.455 -23.784 164 HB ILE 20 HB ILE 20 4.882 -11.034 -22.222 165 1HG1 ILE 20 1HG1 ILE 20 3.882 -8.845 -21.909 166 2HG1 ILE 20 2HG1 ILE 20 5.396 -8.687 -22.789 167 1HG2 ILE 20 1HG2 ILE 20 6.226 -10.494 -24.207 168 2HG2 ILE 20 2HG2 ILE 20 4.758 -10.459 -25.184 169 3HG2 ILE 20 3HG2 ILE 20 5.284 -11.968 -24.438 170 1HD1 ILE 20 1HD1 ILE 20 4.144 -8.480 -24.873 171 2HD1 ILE 20 2HD1 ILE 20 3.710 -7.225 -23.712 172 3HD1 ILE 20 3HD1 ILE 20 2.633 -8.599 -23.974 173 H HIS 21 H HIS 21 2.931 -13.384 -21.992 174 HA HIS 21 HA HIS 21 3.128 -14.885 -24.497 175 1HB HIS 21 1HB HIS 21 3.758 -16.817 -23.148 176 2HB HIS 21 2HB HIS 21 4.800 -15.452 -22.816 177 HD1 HIS 21 HD1 HIS 21 5.476 -16.599 -20.603 178 HD2 HIS 21 HD2 HIS 21 1.452 -15.556 -20.835 179 HE1 HIS 21 HE1 HIS 21 4.556 -16.940 -18.289 180 H ASN 22 H ASN 22 0.645 -13.615 -23.198 181 HA ASN 22 HA ASN 22 -1.080 -15.900 -23.807 182 1HB ASN 22 1HB ASN 22 -0.858 -15.804 -21.324 183 2HB ASN 22 2HB ASN 22 -1.497 -14.164 -21.363 184 1HD2 ASN 22 2HD2 ASN 22 -3.280 -14.682 -20.124 185 2HD2 ASN 22 1HD2 ASN 22 -4.587 -15.643 -20.731 186 H GLN 23 H GLN 23 -2.047 -15.126 -25.582 187 HA GLN 23 HA GLN 23 -2.519 -12.267 -25.817 188 1HB GLN 23 1HB GLN 23 -2.403 -14.549 -27.739 189 2HB GLN 23 2HB GLN 23 -3.274 -13.098 -28.202 190 1HG GLN 23 1HG GLN 23 -0.964 -13.141 -29.026 191 2HG GLN 23 2HG GLN 23 -1.286 -11.767 -27.971 192 1HE2 GLN 23 2HE2 GLN 23 -0.217 -11.591 -26.043 193 2HE2 GLN 23 1HE2 GLN 23 1.097 -12.631 -25.592 194 H LYS 24 H LYS 24 -4.375 -11.391 -25.325 195 HA LYS 24 HA LYS 24 -6.534 -10.801 -25.630 196 1HB LYS 24 1HB LYS 24 -6.228 -11.940 -27.878 197 2HB LYS 24 2HB LYS 24 -7.005 -13.348 -27.168 198 1HG LYS 24 1HG LYS 24 -9.032 -12.084 -26.784 199 2HG LYS 24 2HG LYS 24 -8.251 -10.610 -27.360 200 1HD LYS 24 1HD LYS 24 -7.941 -11.677 -29.564 201 2HD LYS 24 2HD LYS 24 -8.811 -13.095 -28.977 202 1HE LYS 24 1HE LYS 24 -9.963 -10.310 -29.044 203 2HE LYS 24 2HE LYS 24 -10.198 -11.504 -30.318 204 1HZ LYS 24 1HZ LYS 24 -10.973 -11.946 -27.486 205 2HZ LYS 24 2HZ LYS 24 -11.353 -12.922 -28.817 206 3HZ LYS 24 3HZ LYS 24 -12.034 -11.374 -28.679 207 H ASP 25 H ASP 25 -5.549 -13.358 -23.855 208 HA ASP 25 HA ASP 25 -8.226 -14.064 -22.906 209 1HB ASP 25 1HB ASP 25 -6.632 -15.912 -23.215 210 2HB ASP 25 2HB ASP 25 -5.523 -15.152 -22.081 211 H ASN 26 H ASN 26 -8.819 -12.108 -21.963 212 HA ASN 26 HA ASN 26 -8.147 -11.544 -19.319 213 1HB ASN 26 1HB ASN 26 -5.927 -10.967 -20.204 214 2HB ASN 26 2HB ASN 26 -6.659 -9.839 -21.337 215 1HD2 ASN 26 2HD2 ASN 26 -5.537 -8.114 -20.578 216 2HD2 ASN 26 1HD2 ASN 26 -5.830 -7.381 -19.034 217 H ASP 27 H ASP 27 -9.604 -10.084 -18.509 218 HA ASP 27 HA ASP 27 -11.362 -8.751 -20.440 219 1HB ASP 27 1HB ASP 27 -12.449 -10.177 -18.730 220 2HB ASP 27 2HB ASP 27 -11.757 -9.166 -17.465 221 H ASN 28 H ASN 28 -9.140 -7.523 -20.542 222 HA ASN 28 HA ASN 28 -9.581 -4.886 -19.732 223 1HB ASN 28 1HB ASN 28 -8.937 -5.905 -17.476 224 2HB ASN 28 2HB ASN 28 -7.343 -6.196 -18.160 225 1HD2 ASN 28 2HD2 ASN 28 -6.239 -4.860 -16.825 226 2HD2 ASN 28 1HD2 ASN 28 -6.417 -3.141 -16.831 227 H GLU 29 H GLU 29 -7.395 -3.608 -20.082 228 HA GLU 29 HA GLU 29 -5.714 -3.038 -21.485 229 1HB GLU 29 1HB GLU 29 -5.107 -5.963 -21.087 230 2HB GLU 29 2HB GLU 29 -4.037 -4.880 -21.973 231 1HG GLU 29 1HG GLU 29 -3.159 -4.138 -20.093 232 2HG GLU 29 2HG GLU 29 -4.744 -3.668 -19.496 233 H VAL 30 H VAL 30 -7.433 -2.620 -23.016 234 HA VAL 30 HA VAL 30 -7.292 -4.337 -25.387 235 HB VAL 30 HB VAL 30 -9.554 -3.411 -25.926 236 1HG1 VAL 30 1HG1 VAL 30 -9.324 -4.986 -23.372 237 2HG1 VAL 30 2HG1 VAL 30 -9.319 -5.644 -25.007 238 3HG1 VAL 30 3HG1 VAL 30 -10.772 -4.874 -24.371 239 1HG2 VAL 30 1HG2 VAL 30 -9.454 -2.434 -23.084 240 2HG2 VAL 30 2HG2 VAL 30 -10.882 -2.430 -24.120 241 3HG2 VAL 30 3HG2 VAL 30 -9.490 -1.427 -24.529 242 HA PRO 31 HA PRO 31 -5.961 -0.855 -27.830 243 1HB PRO 31 1HB PRO 31 -7.892 -0.736 -29.820 244 2HB PRO 31 2HB PRO 31 -6.474 -1.788 -29.845 245 1HG PRO 31 1HG PRO 31 -9.287 -2.413 -29.065 246 2HG PRO 31 2HG PRO 31 -8.125 -3.406 -29.964 247 1HD PRO 31 1HD PRO 31 -8.658 -3.871 -27.381 248 2HD PRO 31 2HD PRO 31 -7.022 -4.078 -28.038 249 H VAL 32 H VAL 32 -6.181 1.012 -26.748 250 HA VAL 32 HA VAL 32 -8.639 2.523 -26.985 251 HB VAL 32 HB VAL 32 -8.778 1.230 -24.823 252 1HG1 VAL 32 1HG1 VAL 32 -6.439 1.159 -24.241 253 2HG1 VAL 32 2HG1 VAL 32 -7.347 1.944 -22.950 254 3HG1 VAL 32 3HG1 VAL 32 -6.392 2.914 -24.072 255 1HG2 VAL 32 1HG2 VAL 32 -9.428 3.148 -23.438 256 2HG2 VAL 32 2HG2 VAL 32 -10.013 3.306 -25.093 257 3HG2 VAL 32 3HG2 VAL 32 -8.611 4.235 -24.562 258 H HIS 33 H HIS 33 -8.284 4.759 -26.507 259 HA HIS 33 HA HIS 33 -7.123 6.727 -26.301 260 1HB HIS 33 1HB HIS 33 -5.157 4.832 -25.356 261 2HB HIS 33 2HB HIS 33 -4.393 6.075 -26.331 262 HD1 HIS 33 HD1 HIS 33 -3.868 8.204 -25.171 263 HD2 HIS 33 HD2 HIS 33 -6.695 5.945 -23.125 264 HE1 HIS 33 HE1 HIS 33 -4.223 9.391 -22.979 265 H GLN 34 H GLN 34 -6.056 4.202 -28.419 266 HA GLN 34 HA GLN 34 -5.289 4.106 -30.541 267 1HB GLN 34 1HB GLN 34 -5.946 7.049 -30.782 268 2HB GLN 34 2HB GLN 34 -5.691 5.913 -32.097 269 1HG GLN 34 1HG GLN 34 -7.985 5.922 -30.147 270 2HG GLN 34 2HG GLN 34 -8.040 6.382 -31.846 271 1HE2 GLN 34 2HE2 GLN 34 -7.915 4.779 -33.426 272 2HE2 GLN 34 1HE2 GLN 34 -8.245 3.120 -33.069 273 H VAL 35 H VAL 35 -3.377 4.821 -31.874 274 HA VAL 35 HA VAL 35 -1.444 6.212 -30.153 275 HB VAL 35 HB VAL 35 -0.642 3.794 -31.761 276 1HG1 VAL 35 1HG1 VAL 35 1.125 5.343 -31.185 277 2HG1 VAL 35 2HG1 VAL 35 1.304 3.865 -30.239 278 3HG1 VAL 35 3HG1 VAL 35 0.633 5.317 -29.492 279 1HG2 VAL 35 1HG2 VAL 35 -1.356 3.850 -28.825 280 2HG2 VAL 35 2HG2 VAL 35 -0.675 2.480 -29.704 281 3HG2 VAL 35 3HG2 VAL 35 -2.292 3.062 -30.095 282 H SER 36 H SER 36 -0.965 7.960 -31.210 283 HA SER 36 HA SER 36 -0.780 7.842 -34.139 284 1HB SER 36 1HB SER 36 -1.959 9.971 -34.188 285 2HB SER 36 2HB SER 36 -2.907 8.797 -33.298 286 HG SER 36 HG SER 36 -2.171 11.153 -32.462 287 H TYR 37 H TYR 37 1.399 7.636 -32.307 288 HA TYR 37 HA TYR 37 3.464 8.455 -31.853 289 1HB TYR 37 1HB TYR 37 3.464 9.149 -34.249 290 2HB TYR 37 2HB TYR 37 2.791 10.703 -33.772 291 HD1 TYR 37 HD1 TYR 37 4.177 12.403 -32.783 292 HD2 TYR 37 HD2 TYR 37 5.780 8.559 -33.668 293 HE1 TYR 37 HE1 TYR 37 6.447 13.280 -32.451 294 HE2 TYR 37 HE2 TYR 37 8.055 9.428 -33.335 295 HH TYR 37 HH TYR 37 9.214 11.624 -33.440 296 H THR 38 H THR 38 1.270 11.269 -32.160 297 HA THR 38 HA THR 38 2.355 12.791 -30.073 298 HB THR 38 HB THR 38 -0.591 12.729 -30.738 299 HG1 THR 38 HG1 THR 38 1.400 14.189 -32.191 300 1HG2 THR 38 1HG2 THR 38 1.308 14.965 -29.991 301 2HG2 THR 38 2HG2 THR 38 0.119 14.214 -28.928 302 3HG2 THR 38 3HG2 THR 38 -0.414 15.147 -30.326 303 H ASN 39 H ASN 39 -0.162 10.352 -30.140 304 HA ASN 39 HA ASN 39 -1.014 10.653 -27.475 305 1HB ASN 39 1HB ASN 39 -1.909 9.276 -29.661 306 2HB ASN 39 2HB ASN 39 -1.326 7.975 -28.624 307 1HD2 ASN 39 2HD2 ASN 39 -3.503 10.665 -28.881 308 2HD2 ASN 39 1HD2 ASN 39 -4.558 10.171 -27.623 309 H LEU 40 H LEU 40 1.582 8.844 -28.938 310 HA LEU 40 HA LEU 40 2.003 7.043 -26.799 311 1HB LEU 40 1HB LEU 40 2.945 6.751 -29.077 312 2HB LEU 40 2HB LEU 40 4.023 8.100 -28.776 313 HG LEU 40 HG LEU 40 5.130 6.861 -26.994 314 1HD1 LEU 40 1HD1 LEU 40 3.244 4.622 -27.706 315 2HD1 LEU 40 2HD1 LEU 40 3.226 5.557 -26.212 316 3HD1 LEU 40 3HD1 LEU 40 4.600 4.514 -26.584 317 1HD2 LEU 40 1HD2 LEU 40 6.191 5.136 -28.354 318 2HD2 LEU 40 2HD2 LEU 40 5.971 6.630 -29.268 319 3HD2 LEU 40 3HD2 LEU 40 4.887 5.266 -29.535 320 H ALA 41 H ALA 41 3.292 10.247 -27.576 321 HA ALA 41 HA ALA 41 5.064 10.470 -25.394 322 1HB ALA 41 1HB ALA 41 3.646 12.670 -26.896 323 2HB ALA 41 2HB ALA 41 5.175 11.924 -27.361 324 3HB ALA 41 3HB ALA 41 5.068 12.859 -25.870 325 H GLU 42 H GLU 42 1.634 10.780 -25.655 326 HA GLU 42 HA GLU 42 1.115 12.264 -23.314 327 1HB GLU 42 1HB GLU 42 -0.503 10.186 -24.790 328 2HB GLU 42 2HB GLU 42 -1.123 11.070 -23.405 329 1HG GLU 42 1HG GLU 42 -0.053 12.480 -25.819 330 2HG GLU 42 2HG GLU 42 -1.720 11.910 -25.734 331 H MET 43 H MET 43 1.035 8.724 -23.845 332 HA MET 43 HA MET 43 0.792 8.180 -21.058 333 1HB MET 43 1HB MET 43 1.368 6.406 -23.424 334 2HB MET 43 2HB MET 43 1.364 5.788 -21.778 335 1HG MET 43 1HG MET 43 -0.766 5.310 -22.483 336 2HG MET 43 2HG MET 43 -0.995 6.844 -21.650 337 1HE MET 43 1HE MET 43 0.459 6.004 -25.235 338 2HE MET 43 2HE MET 43 -0.980 6.255 -26.226 339 3HE MET 43 3HE MET 43 -0.941 4.951 -25.040 340 H VAL 44 H VAL 44 3.529 8.339 -23.281 341 HA VAL 44 HA VAL 44 5.433 7.266 -21.471 342 HB VAL 44 HB VAL 44 5.821 9.188 -23.778 343 1HG1 VAL 44 1HG1 VAL 44 8.197 8.591 -23.677 344 2HG1 VAL 44 2HG1 VAL 44 7.899 7.665 -22.207 345 3HG1 VAL 44 3HG1 VAL 44 7.669 9.414 -22.209 346 1HG2 VAL 44 1HG2 VAL 44 6.266 6.213 -23.554 347 2HG2 VAL 44 2HG2 VAL 44 6.657 7.207 -24.959 348 3HG2 VAL 44 3HG2 VAL 44 4.979 7.013 -24.457 349 H GLY 45 H GLY 45 4.226 10.530 -22.061 350 1HA GLY 45 1HA GLY 45 6.031 11.925 -20.419 351 2HA GLY 45 2HA GLY 45 4.421 12.470 -20.865 352 H GLU 46 H GLU 46 2.779 10.654 -19.680 353 HA GLU 46 HA GLU 46 2.820 11.518 -16.985 354 1HB GLU 46 1HB GLU 46 0.878 10.041 -16.663 355 2HB GLU 46 2HB GLU 46 0.709 11.028 -18.108 356 1HG GLU 46 1HG GLU 46 1.391 9.117 -19.478 357 2HG GLU 46 2HG GLU 46 1.524 8.131 -18.023 358 H MET 47 H MET 47 3.793 8.531 -18.573 359 HA MET 47 HA MET 47 4.237 7.014 -16.234 360 1HB MET 47 1HB MET 47 4.024 5.965 -18.417 361 2HB MET 47 2HB MET 47 5.488 6.766 -18.972 362 1HG MET 47 1HG MET 47 6.836 5.491 -17.464 363 2HG MET 47 2HG MET 47 5.404 4.819 -16.687 364 1HE MET 47 1HE MET 47 3.492 4.142 -19.056 365 2HE MET 47 2HE MET 47 3.836 3.025 -17.735 366 3HE MET 47 3HE MET 47 3.946 2.472 -19.407 367 H ASN 48 H ASN 48 6.350 9.125 -18.130 368 HA ASN 48 HA ASN 48 8.746 8.641 -16.797 369 1HB ASN 48 1HB ASN 48 7.635 10.976 -18.288 370 2HB ASN 48 2HB ASN 48 9.107 11.214 -17.356 371 1HD2 ASN 48 2HD2 ASN 48 8.690 11.325 -20.231 372 2HD2 ASN 48 1HD2 ASN 48 9.771 10.164 -20.912 373 H LYS 49 H LYS 49 6.042 10.725 -15.913 374 HA LYS 49 HA LYS 49 7.517 11.907 -13.735 375 1HB LYS 49 1HB LYS 49 4.570 12.158 -14.349 376 2HB LYS 49 2HB LYS 49 5.523 13.201 -13.298 377 1HG LYS 49 1HG LYS 49 6.935 13.666 -15.400 378 2HG LYS 49 2HG LYS 49 5.564 12.994 -16.284 379 1HD LYS 49 1HD LYS 49 5.257 15.344 -16.228 380 2HD LYS 49 2HD LYS 49 4.113 14.655 -15.075 381 1HE LYS 49 1HE LYS 49 5.230 16.647 -14.171 382 2HE LYS 49 2HE LYS 49 5.597 15.200 -13.234 383 1HZ LYS 49 1HZ LYS 49 7.737 15.053 -14.226 384 2HZ LYS 49 2HZ LYS 49 7.541 16.659 -13.705 385 3HZ LYS 49 3HZ LYS 49 7.381 16.274 -15.348 386 H LEU 50 H LEU 50 5.758 9.053 -14.151 387 HA LEU 50 HA LEU 50 4.849 8.779 -11.434 388 1HB LEU 50 1HB LEU 50 5.255 6.707 -13.594 389 2HB LEU 50 2HB LEU 50 4.488 6.407 -12.048 390 HG LEU 50 HG LEU 50 3.452 8.270 -14.185 391 1HD1 LEU 50 1HD1 LEU 50 3.246 5.937 -14.829 392 2HD1 LEU 50 2HD1 LEU 50 1.665 6.611 -14.428 393 3HD1 LEU 50 3HD1 LEU 50 2.493 5.560 -13.280 394 1HD2 LEU 50 1HD2 LEU 50 2.237 7.430 -11.557 395 2HD2 LEU 50 2HD2 LEU 50 1.460 8.432 -12.784 396 3HD2 LEU 50 3HD2 LEU 50 2.885 9.026 -11.931 397 H LEU 51 H LEU 51 7.781 8.358 -13.126 398 HA LEU 51 HA LEU 51 8.916 6.773 -10.925 399 1HB LEU 51 1HB LEU 51 9.672 6.921 -13.840 400 2HB LEU 51 2HB LEU 51 10.627 6.087 -12.628 401 HG LEU 51 HG LEU 51 7.757 5.395 -13.303 402 1HD1 LEU 51 1HD1 LEU 51 10.315 4.005 -14.098 403 2HD1 LEU 51 2HD1 LEU 51 9.278 4.941 -15.174 404 3HD1 LEU 51 3HD1 LEU 51 8.675 3.456 -14.439 405 1HD2 LEU 51 1HD2 LEU 51 8.392 4.822 -11.021 406 2HD2 LEU 51 2HD2 LEU 51 9.818 3.976 -11.618 407 3HD2 LEU 51 3HD2 LEU 51 8.207 3.374 -12.008 408 H GLU 52 H GLU 52 8.597 9.760 -11.385 409 HA GLU 52 HA GLU 52 11.379 10.601 -11.246 410 1HB GLU 52 1HB GLU 52 8.785 12.107 -11.377 411 2HB GLU 52 2HB GLU 52 10.273 12.912 -10.913 412 1HG GLU 52 1HG GLU 52 11.269 12.095 -13.064 413 2HG GLU 52 2HG GLU 52 9.652 11.553 -13.518 414 HA PRO 53 HA PRO 53 10.031 11.678 -6.792 415 1HB PRO 53 1HB PRO 53 7.415 10.634 -6.189 416 2HB PRO 53 2HB PRO 53 7.940 12.318 -6.231 417 1HG PRO 53 1HG PRO 53 6.170 11.217 -8.016 418 2HG PRO 53 2HG PRO 53 7.175 12.636 -8.354 419 1HD PRO 53 1HD PRO 53 7.595 9.782 -9.153 420 2HD PRO 53 2HD PRO 53 7.870 11.266 -10.087 421 H SER 54 H SER 54 9.871 8.762 -8.285 422 HA SER 54 HA SER 54 10.054 7.246 -5.778 423 1HB SER 54 1HB SER 54 9.790 5.244 -7.359 424 2HB SER 54 2HB SER 54 8.371 6.266 -7.133 425 HG SER 54 HG SER 54 8.393 6.531 -9.203 426 H GLN 55 H GLN 55 11.602 5.237 -6.149 427 HA GLN 55 HA GLN 55 14.175 6.452 -6.725 428 1HB GLN 55 1HB GLN 55 13.469 3.753 -5.562 429 2HB GLN 55 2HB GLN 55 15.108 4.357 -5.763 430 1HG GLN 55 1HG GLN 55 13.008 5.724 -4.107 431 2HG GLN 55 2HG GLN 55 14.178 4.577 -3.465 432 1HE2 GLN 55 2HE2 GLN 55 15.033 6.152 -2.095 433 2HE2 GLN 55 1HE2 GLN 55 16.043 7.432 -2.679 434 H VAL 56 H VAL 56 11.936 4.394 -8.278 435 HA VAL 56 HA VAL 56 13.852 3.079 -9.979 436 HB VAL 56 HB VAL 56 10.920 3.359 -10.607 437 1HG1 VAL 56 1HG1 VAL 56 12.382 2.424 -12.334 438 2HG1 VAL 56 2HG1 VAL 56 11.234 1.227 -11.736 439 3HG1 VAL 56 3HG1 VAL 56 12.915 1.180 -11.205 440 1HG2 VAL 56 1HG2 VAL 56 12.164 1.312 -8.784 441 2HG2 VAL 56 2HG2 VAL 56 10.497 1.301 -9.362 442 3HG2 VAL 56 3HG2 VAL 56 11.057 2.598 -8.303 443 H HIS 57 H HIS 57 14.965 5.054 -10.662 444 HA HIS 57 HA HIS 57 13.464 6.942 -12.237 445 1HB HIS 57 1HB HIS 57 16.424 6.720 -11.701 446 2HB HIS 57 2HB HIS 57 15.683 8.013 -12.635 447 HD1 HIS 57 HD1 HIS 57 13.613 9.230 -11.127 448 HD2 HIS 57 HD2 HIS 57 16.792 7.438 -9.142 449 HE1 HIS 57 HE1 HIS 57 13.652 10.267 -8.840 450 H LEU 58 H LEU 58 12.640 5.539 -13.827 451 HA LEU 58 HA LEU 58 14.576 4.544 -15.779 452 1HB LEU 58 1HB LEU 58 11.573 4.250 -15.658 453 2HB LEU 58 2HB LEU 58 12.596 3.559 -16.902 454 HG LEU 58 HG LEU 58 12.596 2.835 -13.971 455 1HD1 LEU 58 1HD1 LEU 58 10.721 1.923 -15.237 456 2HD1 LEU 58 2HD1 LEU 58 11.855 0.655 -14.775 457 3HD1 LEU 58 3HD1 LEU 58 11.839 1.262 -16.430 458 1HD2 LEU 58 1HD2 LEU 58 14.866 2.788 -14.874 459 2HD2 LEU 58 2HD2 LEU 58 14.318 1.773 -16.208 460 3HD2 LEU 58 3HD2 LEU 58 14.268 1.160 -14.556 461 H LYS 59 H LYS 59 15.164 5.724 -17.417 462 HA LYS 59 HA LYS 59 13.624 8.101 -18.141 463 1HB LYS 59 1HB LYS 59 16.329 7.237 -19.172 464 2HB LYS 59 2HB LYS 59 15.609 8.837 -19.273 465 1HG LYS 59 1HG LYS 59 15.758 9.067 -16.850 466 2HG LYS 59 2HG LYS 59 16.472 7.459 -16.740 467 1HD LYS 59 1HD LYS 59 18.237 9.081 -16.629 468 2HD LYS 59 2HD LYS 59 18.336 8.255 -18.184 469 1HE LYS 59 1HE LYS 59 18.674 10.620 -18.505 470 2HE LYS 59 2HE LYS 59 17.140 10.138 -19.226 471 1HZ LYS 59 1HZ LYS 59 16.010 10.969 -17.240 472 2HZ LYS 59 2HZ LYS 59 16.893 12.195 -18.009 473 3HZ LYS 59 3HZ LYS 59 17.494 11.473 -16.594 474 H PHE 60 H PHE 60 12.073 7.718 -19.617 475 HA PHE 60 HA PHE 60 12.436 5.608 -21.582 476 1HB PHE 60 1HB PHE 60 10.087 7.411 -20.974 477 2HB PHE 60 2HB PHE 60 10.082 6.166 -22.220 478 HD1 PHE 60 HD1 PHE 60 9.999 3.830 -21.645 479 HD2 PHE 60 HD2 PHE 60 10.045 6.822 -18.622 480 HE1 PHE 60 HE1 PHE 60 9.306 2.156 -19.980 481 HE2 PHE 60 HE2 PHE 60 9.356 5.156 -16.957 482 HZ PHE 60 HZ PHE 60 8.988 2.816 -17.632 483 H GLU 61 H GLU 61 13.001 5.902 -23.632 484 HA GLU 61 HA GLU 61 13.051 8.657 -24.689 485 1HB GLU 61 1HB GLU 61 15.002 6.406 -24.834 486 2HB GLU 61 2HB GLU 61 14.868 7.458 -26.232 487 1HG GLU 61 1HG GLU 61 15.332 8.539 -23.477 488 2HG GLU 61 2HG GLU 61 16.655 7.995 -24.508 489 H LEU 62 H LEU 62 12.039 9.024 -26.584 490 HA LEU 62 HA LEU 62 10.783 6.738 -27.911 491 1HB LEU 62 1HB LEU 62 9.294 8.571 -27.347 492 2HB LEU 62 2HB LEU 62 10.323 9.710 -28.193 493 HG LEU 62 HG LEU 62 9.789 8.620 -30.335 494 1HD1 LEU 62 1HD1 LEU 62 9.394 6.359 -29.495 495 2HD1 LEU 62 2HD1 LEU 62 8.026 6.942 -30.445 496 3HD1 LEU 62 3HD1 LEU 62 7.928 6.912 -28.683 497 1HD2 LEU 62 1HD2 LEU 62 7.412 9.300 -30.430 498 2HD2 LEU 62 2HD2 LEU 62 8.439 10.498 -29.646 499 3HD2 LEU 62 3HD2 LEU 62 7.408 9.449 -28.671 500 H HIS 63 H HIS 63 11.713 5.905 -29.651 501 HA HIS 63 HA HIS 63 13.155 7.699 -31.457 502 1HB HIS 63 1HB HIS 63 14.281 5.167 -30.256 503 2HB HIS 63 2HB HIS 63 14.908 5.861 -31.748 504 HD1 HIS 63 HD1 HIS 63 16.315 7.990 -31.576 505 HD2 HIS 63 HD2 HIS 63 14.857 6.662 -27.912 506 HE1 HIS 63 HE1 HIS 63 17.545 9.324 -29.831 507 H ASP 64 H ASP 64 12.546 7.439 -33.465 508 HA ASP 64 HA ASP 64 10.871 5.127 -34.125 509 1HB ASP 64 1HB ASP 64 9.932 6.488 -35.883 510 2HB ASP 64 2HB ASP 64 9.938 7.427 -34.400 511 H LYS 65 H LYS 65 11.166 3.973 -36.031 512 HA LYS 65 HA LYS 65 13.885 4.175 -37.141 513 1HB LYS 65 1HB LYS 65 13.739 1.726 -37.525 514 2HB LYS 65 2HB LYS 65 13.635 2.156 -35.827 515 1HG LYS 65 1HG LYS 65 11.064 2.049 -36.246 516 2HG LYS 65 2HG LYS 65 11.531 1.074 -37.636 517 1HD LYS 65 1HD LYS 65 12.174 0.527 -34.741 518 2HD LYS 65 2HD LYS 65 11.059 -0.373 -35.766 519 1HE LYS 65 1HE LYS 65 12.965 -0.997 -37.217 520 2HE LYS 65 2HE LYS 65 14.051 -0.185 -36.090 521 1HZ LYS 65 1HZ LYS 65 13.173 -1.716 -34.342 522 2HZ LYS 65 2HZ LYS 65 14.059 -2.488 -35.564 523 3HZ LYS 65 3HZ LYS 65 12.365 -2.571 -35.565 524 H LEU 66 H LEU 66 12.804 1.958 -39.045 525 HA LEU 66 HA LEU 66 12.538 3.443 -41.332 526 1HB LEU 66 1HB LEU 66 12.807 0.911 -41.014 527 2HB LEU 66 2HB LEU 66 11.063 0.856 -40.917 528 HG LEU 66 HG LEU 66 12.477 2.008 -43.316 529 1HD1 LEU 66 1HD1 LEU 66 11.584 -0.837 -42.879 530 2HD1 LEU 66 2HD1 LEU 66 13.252 -0.284 -43.005 531 3HD1 LEU 66 3HD1 LEU 66 12.176 -0.160 -44.396 532 1HD2 LEU 66 1HD2 LEU 66 10.385 1.514 -44.444 533 2HD2 LEU 66 2HD2 LEU 66 10.099 2.553 -43.045 534 3HD2 LEU 66 3HD2 LEU 66 9.726 0.831 -42.956 535 H ASN 67 H ASN 67 9.822 2.051 -39.461 536 HA ASN 67 HA ASN 67 8.196 4.338 -40.306 537 1HB ASN 67 1HB ASN 67 7.695 2.490 -41.873 538 2HB ASN 67 2HB ASN 67 7.242 1.473 -40.510 539 1HD2 ASN 67 2HD2 ASN 67 6.379 4.207 -42.460 540 2HD2 ASN 67 1HD2 ASN 67 4.729 4.318 -41.935 541 H GLU 68 H GLU 68 8.767 1.700 -38.069 542 HA GLU 68 HA GLU 68 6.570 2.550 -36.369 543 1HB GLU 68 1HB GLU 68 8.570 0.309 -36.103 544 2HB GLU 68 2HB GLU 68 7.335 0.657 -34.905 545 1HG GLU 68 1HG GLU 68 5.607 0.294 -36.627 546 2HG GLU 68 2HG GLU 68 6.874 -0.150 -37.765 547 H TYR 69 H TYR 69 6.833 3.169 -34.202 548 HA TYR 69 HA TYR 69 9.486 4.213 -33.492 549 1HB TYR 69 1HB TYR 69 8.219 6.129 -32.372 550 2HB TYR 69 2HB TYR 69 8.279 6.157 -34.131 551 HD1 TYR 69 HD1 TYR 69 6.262 5.654 -35.452 552 HD2 TYR 69 HD2 TYR 69 6.127 5.823 -31.203 553 HE1 TYR 69 HE1 TYR 69 3.806 5.796 -35.538 554 HE2 TYR 69 HE2 TYR 69 3.676 5.963 -31.278 555 HH TYR 69 HH TYR 69 1.882 5.311 -34.082 556 H TYR 70 H TYR 70 10.161 3.587 -31.497 557 HA TYR 70 HA TYR 70 8.122 2.395 -29.743 558 1HB TYR 70 1HB TYR 70 9.526 0.521 -29.264 559 2HB TYR 70 2HB TYR 70 9.414 0.665 -31.013 560 HD1 TYR 70 HD1 TYR 70 11.590 0.570 -28.169 561 HD2 TYR 70 HD2 TYR 70 11.374 1.689 -32.266 562 HE1 TYR 70 HE1 TYR 70 14.038 0.566 -28.293 563 HE2 TYR 70 HE2 TYR 70 13.830 1.685 -32.402 564 HH TYR 70 HH TYR 70 15.795 0.326 -29.971 565 H VAL 71 H VAL 71 9.102 1.922 -27.502 566 HA VAL 71 HA VAL 71 10.436 4.408 -26.664 567 HB VAL 71 HB VAL 71 8.616 2.650 -25.010 568 1HG1 VAL 71 1HG1 VAL 71 8.584 4.569 -23.474 569 2HG1 VAL 71 2HG1 VAL 71 9.751 5.397 -24.505 570 3HG1 VAL 71 3HG1 VAL 71 10.206 3.908 -23.677 571 1HG2 VAL 71 1HG2 VAL 71 8.011 5.269 -26.378 572 2HG2 VAL 71 2HG2 VAL 71 6.926 4.392 -25.300 573 3HG2 VAL 71 3HG2 VAL 71 7.389 3.691 -26.851 574 H LYS 72 H LYS 72 12.348 4.268 -25.763 575 HA LYS 72 HA LYS 72 13.456 1.654 -25.034 576 1HB LYS 72 1HB LYS 72 14.863 4.311 -25.112 577 2HB LYS 72 2HB LYS 72 15.584 2.708 -25.128 578 1HG LYS 72 1HG LYS 72 14.605 2.316 -27.349 579 2HG LYS 72 2HG LYS 72 13.954 3.959 -27.327 580 1HD LYS 72 1HD LYS 72 15.973 4.062 -28.537 581 2HD LYS 72 2HD LYS 72 16.308 4.759 -26.956 582 1HE LYS 72 1HE LYS 72 18.100 3.378 -27.096 583 2HE LYS 72 2HE LYS 72 16.951 2.248 -26.405 584 1HZ LYS 72 1HZ LYS 72 17.487 2.494 -29.315 585 2HZ LYS 72 2HZ LYS 72 16.543 1.310 -28.546 586 3HZ LYS 72 3HZ LYS 72 18.218 1.346 -28.304 587 H VAL 73 H VAL 73 13.926 1.113 -22.942 588 HA VAL 73 HA VAL 73 13.356 3.124 -20.877 589 HB VAL 73 HB VAL 73 13.720 0.138 -20.568 590 1HG1 VAL 73 1HG1 VAL 73 14.270 1.394 -18.550 591 2HG1 VAL 73 2HG1 VAL 73 12.778 0.478 -18.334 592 3HG1 VAL 73 3HG1 VAL 73 12.712 2.216 -18.628 593 1HG2 VAL 73 1HG2 VAL 73 11.208 1.795 -20.691 594 2HG2 VAL 73 2HG2 VAL 73 11.273 0.101 -20.204 595 3HG2 VAL 73 3HG2 VAL 73 11.726 0.565 -21.845 596 H ILE 74 H ILE 74 15.060 4.198 -20.205 597 HA ILE 74 HA ILE 74 17.667 2.837 -20.096 598 HB ILE 74 HB ILE 74 17.054 5.798 -20.239 599 1HG1 ILE 74 1HG1 ILE 74 18.284 3.937 -22.288 600 2HG1 ILE 74 2HG1 ILE 74 16.652 4.592 -22.353 601 1HG2 ILE 74 1HG2 ILE 74 19.466 6.110 -20.451 602 2HG2 ILE 74 2HG2 ILE 74 19.714 4.375 -20.242 603 3HG2 ILE 74 3HG2 ILE 74 19.056 5.337 -18.918 604 1HD1 ILE 74 1HD1 ILE 74 19.203 6.182 -22.482 605 2HD1 ILE 74 2HD1 ILE 74 17.572 6.847 -22.537 606 3HD1 ILE 74 3HD1 ILE 74 18.141 5.798 -23.836 607 H GLU 75 H GLU 75 18.133 2.170 -18.115 608 HA GLU 75 HA GLU 75 16.927 3.271 -15.772 609 1HB GLU 75 1HB GLU 75 17.764 0.882 -16.109 610 2HB GLU 75 2HB GLU 75 19.386 1.510 -15.894 611 1HG GLU 75 1HG GLU 75 17.210 1.805 -13.842 612 2HG GLU 75 2HG GLU 75 18.346 0.460 -13.873 613 H ASP 76 H ASP 76 17.507 5.088 -14.777 614 HA ASP 76 HA ASP 76 19.332 6.839 -15.949 615 1HB ASP 76 1HB ASP 76 17.498 7.722 -14.718 616 2HB ASP 76 2HB ASP 76 17.998 6.893 -13.246 617 H SER 77 H SER 77 19.760 4.772 -13.093 618 HA SER 77 HA SER 77 22.080 6.135 -12.164 619 1HB SER 77 1HB SER 77 20.503 4.647 -10.813 620 2HB SER 77 2HB SER 77 21.350 3.275 -11.527 621 HG SER 77 HG SER 77 22.096 4.901 -9.483 622 H THR 78 H THR 78 21.547 3.632 -14.492 623 HA THR 78 HA THR 78 24.427 3.092 -14.672 624 HB THR 78 HB THR 78 23.571 1.270 -16.305 625 HG1 THR 78 HG1 THR 78 21.179 1.637 -14.793 626 1HG2 THR 78 1HG2 THR 78 23.133 -0.266 -14.453 627 2HG2 THR 78 2HG2 THR 78 22.930 1.105 -13.361 628 3HG2 THR 78 3HG2 THR 78 24.502 0.790 -14.098 629 H ASN 79 H ASN 79 21.729 4.460 -16.378 630 HA ASN 79 HA ASN 79 21.536 5.719 -18.246 631 1HB ASN 79 1HB ASN 79 24.360 6.019 -17.599 632 2HB ASN 79 2HB ASN 79 24.058 6.144 -19.328 633 1HD2 ASN 79 2HD2 ASN 79 21.800 7.075 -16.803 634 2HD2 ASN 79 1HD2 ASN 79 21.833 8.771 -17.148 635 H GLU 80 H GLU 80 21.895 2.728 -18.214 636 HA GLU 80 HA GLU 80 22.525 2.373 -21.066 637 1HB GLU 80 1HB GLU 80 22.807 -0.016 -20.570 638 2HB GLU 80 2HB GLU 80 23.889 0.970 -19.596 639 1HG GLU 80 1HG GLU 80 22.473 0.706 -17.671 640 2HG GLU 80 2HG GLU 80 21.267 -0.145 -18.633 641 H VAL 81 H VAL 81 21.131 0.926 -22.280 642 HA VAL 81 HA VAL 81 18.341 1.300 -21.572 643 HB VAL 81 HB VAL 81 19.504 -0.027 -24.028 644 1HG1 VAL 81 1HG1 VAL 81 17.298 0.396 -25.011 645 2HG1 VAL 81 2HG1 VAL 81 16.741 1.040 -23.466 646 3HG1 VAL 81 3HG1 VAL 81 17.198 -0.658 -23.601 647 1HG2 VAL 81 1HG2 VAL 81 20.251 2.285 -23.883 648 2HG2 VAL 81 2HG2 VAL 81 18.592 2.823 -23.637 649 3HG2 VAL 81 3HG2 VAL 81 19.064 2.100 -25.175 650 H ILE 82 H ILE 82 17.398 -0.126 -20.287 651 HA ILE 82 HA ILE 82 18.471 -2.850 -20.166 652 HB ILE 82 HB ILE 82 17.119 -3.054 -18.075 653 1HG1 ILE 82 1HG1 ILE 82 16.730 -0.071 -18.407 654 2HG1 ILE 82 2HG1 ILE 82 15.470 -1.270 -18.658 655 1HG2 ILE 82 1HG2 ILE 82 19.125 -0.804 -18.179 656 2HG2 ILE 82 2HG2 ILE 82 19.484 -2.520 -17.996 657 3HG2 ILE 82 3HG2 ILE 82 18.620 -1.660 -16.723 658 1HD1 ILE 82 1HD1 ILE 82 16.912 -0.762 -16.070 659 2HD1 ILE 82 2HD1 ILE 82 15.622 -1.939 -16.327 660 3HD1 ILE 82 3HD1 ILE 82 15.287 -0.214 -16.477 661 H ARG 83 H ARG 83 15.906 -1.195 -21.558 662 HA ARG 83 HA ARG 83 14.667 -3.642 -22.391 663 1HB ARG 83 1HB ARG 83 13.677 -3.111 -20.085 664 2HB ARG 83 2HB ARG 83 12.907 -1.733 -20.861 665 1HG ARG 83 1HG ARG 83 11.300 -3.450 -20.844 666 2HG ARG 83 2HG ARG 83 11.909 -3.376 -22.497 667 1HD ARG 83 1HD ARG 83 13.417 -5.244 -22.009 668 2HD ARG 83 2HD ARG 83 12.781 -5.325 -20.372 669 HE ARG 83 HE ARG 83 10.929 -5.664 -22.620 670 1HH1 ARG 83 1HH1 ARG 83 12.734 -7.081 -19.972 671 2HH1 ARG 83 2HH1 ARG 83 11.713 -8.486 -19.868 672 1HH2 ARG 83 1HH2 ARG 83 9.621 -7.540 -22.512 673 2HH2 ARG 83 2HH2 ARG 83 9.965 -8.753 -21.308 674 H GLU 84 H GLU 84 13.391 -3.359 -24.225 675 HA GLU 84 HA GLU 84 12.816 -0.598 -25.067 676 1HB GLU 84 1HB GLU 84 13.890 -2.829 -26.807 677 2HB GLU 84 2HB GLU 84 13.297 -1.287 -27.413 678 1HG GLU 84 1HG GLU 84 15.049 -0.108 -26.256 679 2HG GLU 84 2HG GLU 84 15.607 -1.604 -25.509 680 H ILE 85 H ILE 85 10.680 -0.360 -25.260 681 HA ILE 85 HA ILE 85 9.052 -2.763 -25.716 682 HB ILE 85 HB ILE 85 8.300 -0.097 -24.501 683 1HG1 ILE 85 1HG1 ILE 85 7.607 -1.673 -22.587 684 2HG1 ILE 85 2HG1 ILE 85 8.578 -2.890 -23.405 685 1HG2 ILE 85 1HG2 ILE 85 6.525 -2.449 -25.121 686 2HG2 ILE 85 2HG2 ILE 85 6.462 -0.856 -25.877 687 3HG2 ILE 85 3HG2 ILE 85 6.055 -1.039 -24.171 688 1HD1 ILE 85 1HD1 ILE 85 10.541 -1.469 -23.185 689 2HD1 ILE 85 2HD1 ILE 85 9.813 -1.823 -21.617 690 3HD1 ILE 85 3HD1 ILE 85 9.566 -0.246 -22.371 691 HA PRO 86 HA PRO 86 8.266 -1.084 -29.782 692 1HB PRO 86 1HB PRO 86 6.756 -3.123 -30.663 693 2HB PRO 86 2HB PRO 86 8.507 -3.279 -30.480 694 1HG PRO 86 1HG PRO 86 6.328 -4.165 -28.615 695 2HG PRO 86 2HG PRO 86 7.758 -5.064 -29.155 696 1HD PRO 86 1HD PRO 86 7.658 -3.796 -26.767 697 2HD PRO 86 2HD PRO 86 9.162 -3.955 -27.698 698 HA PRO 87 HA PRO 87 4.499 1.091 -29.247 699 1HB PRO 87 1HB PRO 87 3.528 1.133 -31.831 700 2HB PRO 87 2HB PRO 87 4.785 2.210 -31.213 701 1HG PRO 87 1HG PRO 87 5.055 -0.313 -32.797 702 2HG PRO 87 2HG PRO 87 5.947 1.212 -32.961 703 1HD PRO 87 1HD PRO 87 7.030 -0.917 -31.746 704 2HD PRO 87 2HD PRO 87 7.332 0.731 -31.152 705 H LYS 88 H LYS 88 4.315 -1.920 -31.045 706 HA LYS 88 HA LYS 88 1.483 -2.140 -30.974 707 1HB LYS 88 1HB LYS 88 1.872 -4.468 -31.732 708 2HB LYS 88 2HB LYS 88 2.718 -3.276 -32.706 709 1HG LYS 88 1HG LYS 88 4.420 -4.158 -30.580 710 2HG LYS 88 2HG LYS 88 3.776 -5.551 -31.451 711 1HD LYS 88 1HD LYS 88 5.172 -3.181 -32.700 712 2HD LYS 88 2HD LYS 88 5.890 -4.767 -32.419 713 1HE LYS 88 1HE LYS 88 4.236 -5.781 -33.903 714 2HE LYS 88 2HE LYS 88 3.513 -4.199 -34.185 715 1HZ LYS 88 1HZ LYS 88 5.620 -3.466 -35.153 716 2HZ LYS 88 2HZ LYS 88 4.979 -4.799 -35.985 717 3HZ LYS 88 3HZ LYS 88 6.274 -5.017 -34.911 718 H ARG 89 H ARG 89 3.843 -2.609 -28.584 719 HA ARG 89 HA ARG 89 1.897 -4.105 -26.970 720 1HB ARG 89 1HB ARG 89 4.859 -4.657 -27.155 721 2HB ARG 89 2HB ARG 89 3.818 -5.317 -25.900 722 1HG ARG 89 1HG ARG 89 2.419 -6.147 -27.968 723 2HG ARG 89 2HG ARG 89 3.976 -5.988 -28.785 724 1HD ARG 89 1HD ARG 89 5.016 -7.469 -27.196 725 2HD ARG 89 2HD ARG 89 3.545 -7.517 -26.237 726 HE ARG 89 HE ARG 89 4.057 -8.938 -28.720 727 1HH1 ARG 89 1HH1 ARG 89 1.705 -7.906 -26.340 728 2HH1 ARG 89 2HH1 ARG 89 0.575 -9.171 -26.703 729 1HH2 ARG 89 1HH2 ARG 89 2.570 -10.635 -29.201 730 2HH2 ARG 89 2HH2 ARG 89 1.068 -10.716 -28.333 731 H TRP 90 H TRP 90 2.802 -1.232 -27.193 732 HA TRP 90 HA TRP 90 4.159 -0.630 -24.763 733 1HB TRP 90 1HB TRP 90 4.253 1.023 -26.494 734 2HB TRP 90 2HB TRP 90 2.497 1.077 -26.625 735 HD1 TRP 90 HD1 TRP 90 1.291 2.870 -25.222 736 HE1 TRP 90 HE1 TRP 90 1.985 4.498 -23.358 737 HE3 TRP 90 HE3 TRP 90 6.042 1.171 -24.381 738 HZ2 TRP 90 HZ2 TRP 90 4.249 4.998 -21.736 739 HZ3 TRP 90 HZ3 TRP 90 7.404 2.279 -22.658 740 HH2 TRP 90 HH2 TRP 90 6.523 4.156 -21.366 741 H LEU 91 H LEU 91 0.794 -0.953 -25.700 742 HA LEU 91 HA LEU 91 -0.313 0.297 -23.421 743 1HB LEU 91 1HB LEU 91 -1.499 -1.708 -25.335 744 2HB LEU 91 2HB LEU 91 -2.417 -0.911 -24.071 745 HG LEU 91 HG LEU 91 -1.642 1.289 -25.199 746 1HD1 LEU 91 1HD1 LEU 91 -1.181 -0.656 -27.455 747 2HD1 LEU 91 2HD1 LEU 91 0.027 0.376 -26.688 748 3HD1 LEU 91 3HD1 LEU 91 -1.282 1.097 -27.625 749 1HD2 LEU 91 1HD2 LEU 91 -3.943 0.553 -25.177 750 2HD2 LEU 91 2HD2 LEU 91 -3.634 -0.549 -26.519 751 3HD2 LEU 91 3HD2 LEU 91 -3.533 1.195 -26.767 752 H ASP 92 H ASP 92 0.597 -3.014 -24.147 753 HA ASP 92 HA ASP 92 -0.376 -4.340 -21.900 754 1HB ASP 92 1HB ASP 92 2.335 -4.813 -23.167 755 2HB ASP 92 2HB ASP 92 1.359 -5.981 -22.287 756 H PHE 93 H PHE 93 2.694 -2.672 -22.390 757 HA PHE 93 HA PHE 93 3.724 -3.129 -19.794 758 1HB PHE 93 1HB PHE 93 5.094 -2.605 -21.809 759 2HB PHE 93 2HB PHE 93 4.462 -0.963 -21.778 760 HD1 PHE 93 HD1 PHE 93 6.198 -3.391 -19.547 761 HD2 PHE 93 HD2 PHE 93 5.714 0.660 -20.757 762 HE1 PHE 93 HE1 PHE 93 8.036 -2.732 -18.057 763 HE2 PHE 93 HE2 PHE 93 7.558 1.328 -19.269 764 HZ PHE 93 HZ PHE 93 8.724 -0.372 -17.919 765 H TYR 94 H TYR 94 2.093 -0.361 -21.289 766 HA TYR 94 HA TYR 94 2.325 1.409 -19.129 767 1HB TYR 94 1HB TYR 94 1.716 2.312 -21.247 768 2HB TYR 94 2HB TYR 94 0.318 1.250 -21.377 769 HD1 TYR 94 HD1 TYR 94 -1.750 2.183 -20.968 770 HD2 TYR 94 HD2 TYR 94 1.661 3.852 -19.048 771 HE1 TYR 94 HE1 TYR 94 -3.176 3.904 -19.941 772 HE2 TYR 94 HE2 TYR 94 0.244 5.575 -18.018 773 HH TYR 94 HH TYR 94 -1.822 6.623 -18.208 774 H ALA 95 H ALA 95 -0.279 -0.862 -19.959 775 HA ALA 95 HA ALA 95 -2.071 -0.032 -17.954 776 1HB ALA 95 1HB ALA 95 -2.754 -1.362 -19.879 777 2HB ALA 95 2HB ALA 95 -3.229 -2.135 -18.365 778 3HB ALA 95 3HB ALA 95 -1.833 -2.733 -19.260 779 H ALA 96 H ALA 96 0.423 -2.546 -17.974 780 HA ALA 96 HA ALA 96 -0.124 -3.671 -15.471 781 1HB ALA 96 1HB ALA 96 1.380 -4.702 -17.093 782 2HB ALA 96 2HB ALA 96 2.175 -4.501 -15.532 783 3HB ALA 96 3HB ALA 96 2.541 -3.397 -16.857 784 H MET 97 H MET 97 1.761 -0.828 -16.370 785 HA MET 97 HA MET 97 2.764 -0.469 -13.696 786 1HB MET 97 1HB MET 97 2.954 1.244 -16.164 787 2HB MET 97 2HB MET 97 3.659 1.697 -14.618 788 1HG MET 97 1HG MET 97 4.978 -0.411 -14.677 789 2HG MET 97 2HG MET 97 4.363 -0.691 -16.306 790 1HE MET 97 1HE MET 97 7.045 2.881 -15.135 791 2HE MET 97 2HE MET 97 6.552 1.611 -14.014 792 3HE MET 97 3HE MET 97 5.357 2.747 -14.641 793 H THR 98 H THR 98 0.145 0.919 -15.631 794 HA THR 98 HA THR 98 -0.264 3.115 -13.849 795 HB THR 98 HB THR 98 -0.986 3.134 -16.250 796 HG1 THR 98 HG1 THR 98 -2.323 4.653 -15.668 797 1HG2 THR 98 1HG2 THR 98 -3.134 2.125 -16.851 798 2HG2 THR 98 2HG2 THR 98 -3.244 1.388 -15.252 799 3HG2 THR 98 3HG2 THR 98 -1.971 0.890 -16.366 800 H GLU 99 H GLU 99 -1.483 -0.174 -13.938 801 HA GLU 99 HA GLU 99 -3.383 0.304 -11.847 802 1HB GLU 99 1HB GLU 99 -2.179 -2.279 -12.850 803 2HB GLU 99 2HB GLU 99 -3.460 -2.177 -11.650 804 1HG GLU 99 1HG GLU 99 -4.721 -0.829 -13.453 805 2HG GLU 99 2HG GLU 99 -3.551 -1.537 -14.565 806 H PHE 100 H PHE 100 0.010 -0.425 -12.027 807 HA PHE 100 HA PHE 100 0.203 -1.273 -9.278 808 1HB PHE 100 1HB PHE 100 1.690 -2.163 -11.071 809 2HB PHE 100 2HB PHE 100 2.421 -0.567 -11.211 810 HD1 PHE 100 HD1 PHE 100 1.898 -3.405 -8.897 811 HD2 PHE 100 HD2 PHE 100 4.156 0.095 -9.778 812 HE1 PHE 100 HE1 PHE 100 3.505 -4.004 -7.138 813 HE2 PHE 100 HE2 PHE 100 5.771 -0.505 -8.020 814 HZ PHE 100 HZ PHE 100 5.445 -2.559 -6.695 815 H LEU 101 H LEU 101 1.554 1.517 -11.102 816 HA LEU 101 HA LEU 101 2.195 2.837 -8.617 817 1HB LEU 101 1HB LEU 101 2.489 3.735 -11.485 818 2HB LEU 101 2HB LEU 101 2.905 4.742 -10.113 819 HG LEU 101 HG LEU 101 4.430 2.699 -9.458 820 1HD1 LEU 101 1HD1 LEU 101 4.138 2.360 -12.438 821 2HD1 LEU 101 2HD1 LEU 101 3.638 1.205 -11.203 822 3HD1 LEU 101 3HD1 LEU 101 5.348 1.572 -11.425 823 1HD2 LEU 101 1HD2 LEU 101 5.126 4.583 -11.708 824 2HD2 LEU 101 2HD2 LEU 101 6.267 3.743 -10.658 825 3HD2 LEU 101 3HD2 LEU 101 5.188 4.967 -9.988 826 H GLY 102 H GLY 102 -0.509 2.614 -10.600 827 1HA GLY 102 1HA GLY 102 -1.665 5.174 -10.067 828 2HA GLY 102 2HA GLY 102 -2.512 3.745 -10.650 829 H LEU 103 H LEU 103 -1.242 2.308 -8.259 830 HA LEU 103 HA LEU 103 -3.377 2.772 -6.392 831 1HB LEU 103 1HB LEU 103 -0.883 1.082 -6.168 832 2HB LEU 103 2HB LEU 103 -2.170 1.108 -4.981 833 HG LEU 103 HG LEU 103 -2.439 0.174 -7.840 834 1HD1 LEU 103 1HD1 LEU 103 -2.742 -2.040 -6.820 835 2HD1 LEU 103 2HD1 LEU 103 -2.388 -1.347 -5.238 836 3HD1 LEU 103 3HD1 LEU 103 -1.144 -1.371 -6.486 837 1HD2 LEU 103 1HD2 LEU 103 -4.669 -0.571 -7.150 838 2HD2 LEU 103 2HD2 LEU 103 -4.497 1.179 -7.019 839 3HD2 LEU 103 3HD2 LEU 103 -4.423 0.175 -5.573 840 H PHE 104 H PHE 104 -0.314 4.116 -6.934 841 HA PHE 104 HA PHE 104 -0.136 5.184 -4.205 842 1HB PHE 104 1HB PHE 104 1.844 5.340 -6.494 843 2HB PHE 104 2HB PHE 104 2.111 5.958 -4.869 844 HD1 PHE 104 HD1 PHE 104 2.742 4.505 -3.085 845 HD2 PHE 104 HD2 PHE 104 1.746 2.911 -6.905 846 HE1 PHE 104 HE1 PHE 104 3.688 2.334 -2.428 847 HE2 PHE 104 HE2 PHE 104 2.692 0.739 -6.248 848 HZ PHE 104 HZ PHE 104 3.668 0.447 -4.006 849 H VAL 105 H VAL 105 -0.389 6.116 -7.591 850 HA VAL 105 HA VAL 105 -0.750 8.919 -6.815 851 HB VAL 105 HB VAL 105 -0.603 7.857 -9.608 852 1HG1 VAL 105 1HG1 VAL 105 0.054 10.144 -10.159 853 2HG1 VAL 105 2HG1 VAL 105 -0.100 10.588 -8.459 854 3HG1 VAL 105 3HG1 VAL 105 -1.524 10.087 -9.373 855 1HG2 VAL 105 1HG2 VAL 105 1.770 8.438 -9.634 856 2HG2 VAL 105 2HG2 VAL 105 1.433 7.183 -8.440 857 3HG2 VAL 105 3HG2 VAL 105 1.686 8.850 -7.921 858 H ASP 106 H ASP 106 -2.777 9.120 -6.170 859 HA ASP 106 HA ASP 106 -4.925 8.340 -8.018 860 1HB ASP 106 1HB ASP 106 -4.968 7.043 -5.912 861 2HB ASP 106 2HB ASP 106 -5.050 8.542 -4.998 862 H GLU 107 H GLU 107 -3.211 10.786 -7.507 863 HA GLU 107 HA GLU 107 -4.895 12.821 -6.468 864 1HB GLU 107 1HB GLU 107 -2.439 12.947 -6.492 865 2HB GLU 107 2HB GLU 107 -2.461 13.026 -8.245 866 1HG GLU 107 1HG GLU 107 -3.806 15.125 -8.059 867 2HG GLU 107 2HG GLU 107 -3.512 15.084 -6.321 868 H LYS 108 H LYS 108 -3.636 12.521 -9.813 869 HA LYS 108 HA LYS 108 -5.932 14.014 -10.749 870 1HB LYS 108 1HB LYS 108 -3.422 13.021 -12.063 871 2HB LYS 108 2HB LYS 108 -4.761 13.640 -13.022 872 1HG LYS 108 1HG LYS 108 -4.629 15.777 -11.895 873 2HG LYS 108 2HG LYS 108 -3.364 15.166 -10.831 874 1HD LYS 108 1HD LYS 108 -3.012 15.132 -13.806 875 2HD LYS 108 2HD LYS 108 -2.697 16.598 -12.876 876 1HE LYS 108 1HE LYS 108 -1.429 13.920 -12.315 877 2HE LYS 108 2HE LYS 108 -0.680 15.187 -13.288 878 1HZ LYS 108 1HZ LYS 108 0.172 15.364 -11.096 879 2HZ LYS 108 2HZ LYS 108 -1.369 15.303 -10.397 880 3HZ LYS 108 3HZ LYS 108 -0.902 16.661 -11.299 881 H LYS 109 H LYS 109 -5.375 10.853 -10.041 882 HA LYS 109 HA LYS 109 -7.294 9.854 -12.007 883 1HB LYS 109 1HB LYS 109 -5.613 8.546 -9.891 884 2HB LYS 109 2HB LYS 109 -7.011 7.712 -10.543 885 1HG LYS 109 1HG LYS 109 -5.923 8.215 -12.842 886 2HG LYS 109 2HG LYS 109 -4.457 8.452 -11.888 887 1HD LYS 109 1HD LYS 109 -4.685 6.221 -10.940 888 2HD LYS 109 2HD LYS 109 -6.192 5.984 -11.825 889 1HE LYS 109 1HE LYS 109 -4.863 6.331 -13.938 890 2HE LYS 109 2HE LYS 109 -3.410 6.253 -12.942 891 1HZ LYS 109 1HZ LYS 109 -3.822 4.098 -13.836 892 2HZ LYS 109 2HZ LYS 109 -5.441 4.115 -13.330 893 3HZ LYS 109 3HZ LYS 109 -4.197 4.031 -12.184 894 H LEU 110 H LEU 110 -7.651 11.782 -9.571 895 HA LEU 110 HA LEU 110 -9.269 10.412 -7.712 896 1HB LEU 110 1HB LEU 110 -9.454 12.408 -6.601 897 2HB LEU 110 2HB LEU 110 -8.001 12.678 -7.531 898 HG LEU 110 HG LEU 110 -10.734 13.686 -8.330 899 1HD1 LEU 110 1HD1 LEU 110 -8.436 15.144 -7.037 900 2HD1 LEU 110 2HD1 LEU 110 -9.971 14.738 -6.270 901 3HD1 LEU 110 3HD1 LEU 110 -9.932 15.874 -7.618 902 1HD2 LEU 110 1HD2 LEU 110 -9.247 13.393 -10.236 903 2HD2 LEU 110 2HD2 LEU 110 -7.981 14.301 -9.410 904 3HD2 LEU 110 3HD2 LEU 110 -9.474 15.106 -9.891 905 H GLU 111 H GLU 111 -9.921 11.722 -10.782 906 HA GLU 111 HA GLU 111 -11.713 11.685 -12.153 907 1HB GLU 111 1HB GLU 111 -13.071 10.150 -9.932 908 2HB GLU 111 2HB GLU 111 -13.724 10.378 -11.546 909 1HG GLU 111 1HG GLU 111 -11.736 9.203 -12.451 910 2HG GLU 111 2HG GLU 111 -11.239 8.864 -10.793 911 H HIS 112 H HIS 112 -12.682 12.364 -8.802 912 HA HIS 112 HA HIS 112 -14.844 14.070 -9.660 913 1HB HIS 112 1HB HIS 112 -13.720 13.648 -6.879 914 2HB HIS 112 2HB HIS 112 -15.241 14.431 -7.271 915 HD1 HIS 112 HD1 HIS 112 -17.211 12.957 -6.970 916 HD2 HIS 112 HD2 HIS 112 -13.773 10.819 -7.877 917 HE1 HIS 112 HE1 HIS 112 -17.886 10.530 -6.919 918 H HIS 113 H HIS 113 -13.876 15.732 -10.805 919 HA HIS 113 HA HIS 113 -12.934 17.948 -9.293 920 1HB HIS 113 1HB HIS 113 -10.832 16.721 -9.285 921 2HB HIS 113 2HB HIS 113 -10.927 16.477 -11.021 922 HD1 HIS 113 HD1 HIS 113 -10.427 19.295 -8.509 923 HD2 HIS 113 HD2 HIS 113 -9.691 18.395 -12.509 924 HE1 HIS 113 HE1 HIS 113 -8.982 21.162 -9.377 925 H HIS 114 H HIS 114 -14.874 18.563 -10.453 926 HA HIS 114 HA HIS 114 -16.011 19.669 -12.078 927 1HB HIS 114 1HB HIS 114 -14.273 21.343 -11.565 928 2HB HIS 114 2HB HIS 114 -13.244 20.656 -12.818 929 HD1 HIS 114 HD1 HIS 114 -13.895 21.151 -15.296 930 HD2 HIS 114 HD2 HIS 114 -16.352 22.963 -12.461 931 HE1 HIS 114 HE1 HIS 114 -15.249 22.863 -16.554 932 H HIS 115 H HIS 115 -16.775 17.940 -13.309 933 HA HIS 115 HA HIS 115 -15.156 17.035 -15.535 934 1HB HIS 115 1HB HIS 115 -16.887 15.432 -16.011 935 2HB HIS 115 2HB HIS 115 -16.601 15.425 -14.278 936 HD1 HIS 115 HD1 HIS 115 -19.277 15.636 -16.735 937 HD2 HIS 115 HD2 HIS 115 -18.679 16.928 -12.821 938 HE1 HIS 115 HE1 HIS 115 -21.561 16.121 -15.822 939 H HIS 116 H HIS 116 -15.108 18.028 -17.422 940 HA HIS 116 HA HIS 116 -17.521 19.457 -18.315 941 1HB HIS 116 1HB HIS 116 -15.349 20.696 -18.452 942 2HB HIS 116 2HB HIS 116 -14.750 19.464 -19.556 943 HD1 HIS 116 HD1 HIS 116 -17.404 22.163 -19.357 944 HD2 HIS 116 HD2 HIS 116 -15.424 19.857 -22.197 945 HE1 HIS 116 HE1 HIS 116 -18.037 23.142 -21.583 946 H HIS 117 H HIS 117 -18.656 17.550 -18.625 947 HA HIS 117 HA HIS 117 -18.288 16.049 -21.005 948 1HB HIS 117 1HB HIS 117 -16.401 15.098 -19.747 949 2HB HIS 117 2HB HIS 117 -17.466 14.742 -18.395 950 HD1 HIS 117 HD1 HIS 117 -16.539 13.534 -21.827 951 HD2 HIS 117 HD2 HIS 117 -18.989 12.408 -18.651 952 HE1 HIS 117 HE1 HIS 117 -17.238 11.162 -22.308 Start of MODEL 18 1 HA LEU 1 HA LEU 1 3.722 1.604 0.786 2 1HB LEU 1 1HB LEU 1 1.956 1.782 -1.665 3 2HB LEU 1 2HB LEU 1 3.627 1.266 -1.689 4 HG LEU 1 HG LEU 1 2.887 -0.604 -0.092 5 1HD1 LEU 1 1HD1 LEU 1 0.538 -1.272 -0.315 6 2HD1 LEU 1 2HD1 LEU 1 0.200 0.232 -1.172 7 3HD1 LEU 1 3HD1 LEU 1 0.712 0.274 0.516 8 1HD2 LEU 1 1HD2 LEU 1 1.884 -0.566 -2.935 9 2HD2 LEU 1 2HD2 LEU 1 2.183 -2.005 -1.960 10 3HD2 LEU 1 3HD2 LEU 1 3.526 -0.956 -2.421 11 H ASN 2 H ASN 2 5.259 3.099 0.788 12 HA ASN 2 HA ASN 2 4.664 5.761 -0.229 13 1HB ASN 2 1HB ASN 2 6.903 4.625 1.427 14 2HB ASN 2 2HB ASN 2 7.038 6.222 0.697 15 1HD2 ASN 2 2HD2 ASN 2 7.107 7.241 2.680 16 2HD2 ASN 2 1HD2 ASN 2 5.709 7.416 3.683 17 H ILE 3 H ILE 3 4.973 6.194 -2.266 18 HA ILE 3 HA ILE 3 6.596 4.617 -3.989 19 HB ILE 3 HB ILE 3 4.584 5.783 -4.783 20 1HG1 ILE 3 1HG1 ILE 3 7.080 6.783 -6.176 21 2HG1 ILE 3 2HG1 ILE 3 6.389 5.176 -6.379 22 1HG2 ILE 3 1HG2 ILE 3 4.762 7.808 -3.453 23 2HG2 ILE 3 2HG2 ILE 3 4.610 8.203 -5.165 24 3HG2 ILE 3 3HG2 ILE 3 6.181 8.306 -4.371 25 1HD1 ILE 3 1HD1 ILE 3 5.084 7.787 -7.113 26 2HD1 ILE 3 2HD1 ILE 3 4.341 6.195 -7.272 27 3HD1 ILE 3 3HD1 ILE 3 5.769 6.600 -8.224 28 H GLU 4 H GLU 4 7.178 7.358 -2.022 29 HA GLU 4 HA GLU 4 9.271 8.654 -3.301 30 1HB GLU 4 1HB GLU 4 8.122 9.530 -1.332 31 2HB GLU 4 2HB GLU 4 8.778 8.236 -0.343 32 1HG GLU 4 1HG GLU 4 9.983 10.246 0.096 33 2HG GLU 4 2HG GLU 4 11.041 9.123 -0.752 34 H ARG 5 H ARG 5 9.269 5.574 -1.672 35 HA ARG 5 HA ARG 5 12.200 5.468 -1.956 36 1HB ARG 5 1HB ARG 5 10.542 4.187 0.226 37 2HB ARG 5 2HB ARG 5 12.278 3.997 0.015 38 1HG ARG 5 1HG ARG 5 12.572 6.407 0.385 39 2HG ARG 5 2HG ARG 5 10.835 6.563 0.645 40 1HD ARG 5 1HD ARG 5 11.006 4.994 2.540 41 2HD ARG 5 2HD ARG 5 12.753 4.927 2.301 42 HE ARG 5 HE ARG 5 11.631 7.579 2.693 43 1HH1 ARG 5 1HH1 ARG 5 13.207 4.807 4.162 44 2HH1 ARG 5 2HH1 ARG 5 13.695 5.689 5.576 45 1HH2 ARG 5 1HH2 ARG 5 12.275 8.731 4.527 46 2HH2 ARG 5 2HH2 ARG 5 13.188 7.942 5.781 47 H LEU 6 H LEU 6 9.796 4.642 -3.582 48 HA LEU 6 HA LEU 6 9.858 1.774 -3.652 49 1HB LEU 6 1HB LEU 6 7.833 2.882 -4.307 50 2HB LEU 6 2HB LEU 6 8.683 3.858 -5.490 51 HG LEU 6 HG LEU 6 9.177 1.776 -6.761 52 1HD1 LEU 6 1HD1 LEU 6 7.830 -0.220 -6.267 53 2HD1 LEU 6 2HD1 LEU 6 7.270 0.546 -4.779 54 3HD1 LEU 6 3HD1 LEU 6 8.977 0.152 -4.982 55 1HD2 LEU 6 1HD2 LEU 6 6.937 1.569 -7.707 56 2HD2 LEU 6 2HD2 LEU 6 7.344 3.255 -7.390 57 3HD2 LEU 6 3HD2 LEU 6 6.264 2.388 -6.298 58 H THR 7 H THR 7 11.441 0.621 -4.516 59 HA THR 7 HA THR 7 12.629 1.522 -7.011 60 HB THR 7 HB THR 7 14.236 2.378 -5.495 61 HG1 THR 7 HG1 THR 7 16.046 0.742 -5.861 62 1HG2 THR 7 1HG2 THR 7 14.250 -0.315 -4.136 63 2HG2 THR 7 2HG2 THR 7 13.581 1.182 -3.484 64 3HG2 THR 7 3HG2 THR 7 15.319 1.034 -3.750 65 H THR 8 H THR 8 11.090 -0.207 -7.626 66 HA THR 8 HA THR 8 12.522 -2.564 -8.245 67 HB THR 8 HB THR 8 12.000 -3.351 -6.050 68 HG1 THR 8 HG1 THR 8 11.386 -5.216 -6.836 69 1HG2 THR 8 1HG2 THR 8 10.177 -1.786 -5.518 70 2HG2 THR 8 2HG2 THR 8 9.736 -3.453 -5.150 71 3HG2 THR 8 3HG2 THR 8 9.105 -2.675 -6.603 72 H LEU 9 H LEU 9 11.875 -3.143 -10.182 73 HA LEU 9 HA LEU 9 9.143 -2.467 -11.051 74 1HB LEU 9 1HB LEU 9 11.593 -3.161 -12.678 75 2HB LEU 9 2HB LEU 9 10.019 -2.760 -13.338 76 HG LEU 9 HG LEU 9 11.740 -0.885 -11.717 77 1HD1 LEU 9 1HD1 LEU 9 12.113 0.255 -13.847 78 2HD1 LEU 9 2HD1 LEU 9 11.217 -1.015 -14.682 79 3HD1 LEU 9 3HD1 LEU 9 12.737 -1.394 -13.874 80 1HD2 LEU 9 1HD2 LEU 9 9.184 -0.422 -13.256 81 2HD2 LEU 9 2HD2 LEU 9 10.147 0.820 -12.455 82 3HD2 LEU 9 3HD2 LEU 9 9.350 -0.430 -11.501 83 H GLN 10 H GLN 10 10.503 -4.911 -9.590 84 HA GLN 10 HA GLN 10 10.362 -7.135 -11.248 85 1HB GLN 10 1HB GLN 10 11.437 -7.192 -9.061 86 2HB GLN 10 2HB GLN 10 9.881 -7.000 -8.270 87 1HG GLN 10 1HG GLN 10 10.639 -9.301 -8.182 88 2HG GLN 10 2HG GLN 10 9.157 -9.156 -9.125 89 1HE2 GLN 10 2HE2 GLN 10 9.224 -9.480 -11.342 90 2HE2 GLN 10 1HE2 GLN 10 10.566 -10.247 -12.126 91 HA PRO 11 HA PRO 11 5.733 -7.811 -9.820 92 1HB PRO 11 1HB PRO 11 4.914 -5.026 -9.253 93 2HB PRO 11 2HB PRO 11 4.507 -6.516 -8.395 94 1HG PRO 11 1HG PRO 11 6.209 -4.751 -7.344 95 2HG PRO 11 2HG PRO 11 6.461 -6.496 -7.156 96 1HD PRO 11 1HD PRO 11 7.799 -4.577 -9.024 97 2HD PRO 11 2HD PRO 11 8.502 -5.907 -8.081 98 H VAL 12 H VAL 12 6.887 -4.907 -11.416 99 HA VAL 12 HA VAL 12 4.678 -4.626 -13.201 100 HB VAL 12 HB VAL 12 7.499 -3.580 -13.531 101 1HG1 VAL 12 1HG1 VAL 12 6.242 -3.510 -15.602 102 2HG1 VAL 12 2HG1 VAL 12 6.436 -1.880 -14.958 103 3HG1 VAL 12 3HG1 VAL 12 4.894 -2.719 -14.782 104 1HG2 VAL 12 1HG2 VAL 12 6.583 -2.813 -11.424 105 2HG2 VAL 12 2HG2 VAL 12 5.096 -2.307 -12.225 106 3HG2 VAL 12 3HG2 VAL 12 6.612 -1.480 -12.577 107 H TRP 13 H TRP 13 7.971 -5.917 -13.531 108 HA TRP 13 HA TRP 13 7.724 -6.847 -16.165 109 1HB TRP 13 1HB TRP 13 9.492 -7.676 -13.872 110 2HB TRP 13 2HB TRP 13 9.586 -8.467 -15.439 111 HD1 TRP 13 HD1 TRP 13 11.105 -5.710 -13.580 112 HE1 TRP 13 HE1 TRP 13 12.381 -4.131 -15.158 113 HE3 TRP 13 HE3 TRP 13 9.211 -7.328 -18.036 114 HZ2 TRP 13 HZ2 TRP 13 12.555 -3.633 -17.946 115 HZ3 TRP 13 HZ3 TRP 13 9.979 -6.250 -20.113 116 HH2 TRP 13 HH2 TRP 13 11.614 -4.443 -20.062 117 H ASP 14 H ASP 14 6.968 -8.339 -13.080 118 HA ASP 14 HA ASP 14 6.400 -10.931 -13.965 119 1HB ASP 14 1HB ASP 14 6.575 -10.282 -11.578 120 2HB ASP 14 2HB ASP 14 5.053 -9.408 -11.720 121 H ARG 15 H ARG 15 4.199 -8.171 -13.503 122 HA ARG 15 HA ARG 15 1.963 -9.544 -14.591 123 1HB ARG 15 1HB ARG 15 2.421 -6.602 -14.106 124 2HB ARG 15 2HB ARG 15 0.887 -7.288 -14.627 125 1HG ARG 15 1HG ARG 15 0.915 -8.702 -12.558 126 2HG ARG 15 2HG ARG 15 2.322 -7.778 -12.026 127 1HD ARG 15 1HD ARG 15 0.982 -5.714 -12.175 128 2HD ARG 15 2HD ARG 15 -0.423 -6.679 -12.630 129 HE ARG 15 HE ARG 15 0.942 -7.193 -10.073 130 1HH1 ARG 15 1HH1 ARG 15 -1.912 -6.171 -11.847 131 2HH1 ARG 15 2HH1 ARG 15 -2.944 -6.190 -10.444 132 1HH2 ARG 15 1HH2 ARG 15 -0.413 -7.214 -8.228 133 2HH2 ARG 15 2HH2 ARG 15 -2.083 -6.770 -8.391 134 H TYR 16 H TYR 16 4.541 -7.683 -16.005 135 HA TYR 16 HA TYR 16 3.259 -7.169 -18.494 136 1HB TYR 16 1HB TYR 16 5.316 -5.981 -17.684 137 2HB TYR 16 2HB TYR 16 6.227 -7.455 -17.995 138 HD1 TYR 16 HD1 TYR 16 3.809 -5.246 -19.800 139 HD2 TYR 16 HD2 TYR 16 7.398 -7.528 -19.991 140 HE1 TYR 16 HE1 TYR 16 4.130 -4.536 -22.131 141 HE2 TYR 16 HE2 TYR 16 7.724 -6.824 -22.327 142 HH TYR 16 HH TYR 16 5.827 -4.330 -23.775 143 H ASP 17 H ASP 17 5.349 -9.799 -17.335 144 HA ASP 17 HA ASP 17 5.363 -11.275 -19.730 145 1HB ASP 17 1HB ASP 17 6.775 -11.817 -17.725 146 2HB ASP 17 2HB ASP 17 5.329 -12.420 -16.920 147 H THR 18 H THR 18 3.223 -11.516 -16.900 148 HA THR 18 HA THR 18 1.427 -13.391 -17.853 149 HB THR 18 HB THR 18 0.725 -11.013 -16.124 150 HG1 THR 18 HG1 THR 18 1.388 -12.320 -14.399 151 1HG2 THR 18 1HG2 THR 18 -0.477 -13.776 -16.332 152 2HG2 THR 18 2HG2 THR 18 -1.216 -12.275 -16.888 153 3HG2 THR 18 3HG2 THR 18 -0.949 -12.542 -15.165 154 H GLN 19 H GLN 19 1.335 -9.859 -18.259 155 HA GLN 19 HA GLN 19 -1.050 -9.583 -19.631 156 1HB GLN 19 1HB GLN 19 1.099 -7.980 -18.926 157 2HB GLN 19 2HB GLN 19 1.093 -7.923 -20.683 158 1HG GLN 19 1HG GLN 19 -0.204 -6.112 -19.892 159 2HG GLN 19 2HG GLN 19 -1.304 -7.297 -20.583 160 1HE2 GLN 19 2HE2 GLN 19 0.201 -7.682 -17.465 161 2HE2 GLN 19 1HE2 GLN 19 -1.242 -7.486 -16.525 162 H ILE 20 H ILE 20 2.170 -10.351 -20.800 163 HA ILE 20 HA ILE 20 1.727 -10.345 -23.533 164 HB ILE 20 HB ILE 20 3.754 -11.202 -21.663 165 1HG1 ILE 20 1HG1 ILE 20 5.251 -10.431 -23.452 166 2HG1 ILE 20 2HG1 ILE 20 3.878 -10.325 -24.540 167 1HG2 ILE 20 1HG2 ILE 20 3.379 -13.446 -22.531 168 2HG2 ILE 20 2HG2 ILE 20 4.933 -12.815 -23.075 169 3HG2 ILE 20 3HG2 ILE 20 3.560 -12.852 -24.182 170 1HD1 ILE 20 1HD1 ILE 20 4.288 -8.712 -22.039 171 2HD1 ILE 20 2HD1 ILE 20 2.878 -8.624 -23.094 172 3HD1 ILE 20 3HD1 ILE 20 4.463 -8.143 -23.700 173 H HIS 21 H HIS 21 0.349 -12.426 -21.254 174 HA HIS 21 HA HIS 21 0.001 -14.636 -23.150 175 1HB HIS 21 1HB HIS 21 -0.896 -14.365 -20.270 176 2HB HIS 21 2HB HIS 21 -1.118 -15.796 -21.264 177 HD1 HIS 21 HD1 HIS 21 0.482 -17.537 -20.550 178 HD2 HIS 21 HD2 HIS 21 2.137 -13.727 -20.357 179 HE1 HIS 21 HE1 HIS 21 2.844 -17.861 -19.725 180 H ASN 22 H ASN 22 -1.461 -11.736 -22.631 181 HA ASN 22 HA ASN 22 -4.013 -12.643 -23.661 182 1HB ASN 22 1HB ASN 22 -4.264 -12.954 -21.226 183 2HB ASN 22 2HB ASN 22 -3.845 -11.265 -20.970 184 1HD2 ASN 22 2HD2 ASN 22 -5.777 -10.831 -19.955 185 2HD2 ASN 22 1HD2 ASN 22 -7.276 -10.740 -20.802 186 H GLN 23 H GLN 23 -3.545 -11.326 -25.434 187 HA GLN 23 HA GLN 23 -3.251 -8.456 -24.989 188 1HB GLN 23 1HB GLN 23 -2.888 -10.272 -27.326 189 2HB GLN 23 2HB GLN 23 -3.279 -8.593 -27.644 190 1HG GLN 23 1HG GLN 23 -0.853 -9.135 -27.698 191 2HG GLN 23 2HG GLN 23 -1.293 -7.839 -26.588 192 1HE2 GLN 23 2HE2 GLN 23 -0.936 -8.083 -24.434 193 2HE2 GLN 23 1HE2 GLN 23 -0.151 -9.464 -23.747 194 H LYS 24 H LYS 24 -5.250 -7.799 -24.296 195 HA LYS 24 HA LYS 24 -7.188 -7.372 -26.366 196 1HB LYS 24 1HB LYS 24 -9.057 -8.455 -25.367 197 2HB LYS 24 2HB LYS 24 -7.777 -9.654 -25.441 198 1HG LYS 24 1HG LYS 24 -7.290 -9.283 -23.073 199 2HG LYS 24 2HG LYS 24 -8.574 -8.074 -23.002 200 1HD LYS 24 1HD LYS 24 -10.159 -9.883 -23.757 201 2HD LYS 24 2HD LYS 24 -8.845 -11.034 -23.498 202 1HE LYS 24 1HE LYS 24 -8.697 -10.232 -21.143 203 2HE LYS 24 2HE LYS 24 -10.118 -9.232 -21.437 204 1HZ LYS 24 1HZ LYS 24 -10.910 -11.175 -20.440 205 2HZ LYS 24 2HZ LYS 24 -9.934 -12.185 -21.386 206 3HZ LYS 24 3HZ LYS 24 -11.257 -11.384 -22.089 207 H ASP 25 H ASP 25 -8.839 -5.813 -25.682 208 HA ASP 25 HA ASP 25 -7.813 -4.002 -23.700 209 1HB ASP 25 1HB ASP 25 -9.817 -2.607 -24.277 210 2HB ASP 25 2HB ASP 25 -8.780 -2.989 -25.643 211 H ASN 26 H ASN 26 -7.917 -4.853 -21.734 212 HA ASN 26 HA ASN 26 -10.385 -6.136 -20.825 213 1HB ASN 26 1HB ASN 26 -8.142 -7.241 -20.530 214 2HB ASN 26 2HB ASN 26 -7.719 -5.955 -19.407 215 1HD2 ASN 26 2HD2 ASN 26 -7.498 -7.262 -17.652 216 2HD2 ASN 26 1HD2 ASN 26 -8.829 -8.078 -16.896 217 H ASP 27 H ASP 27 -11.217 -5.637 -18.699 218 HA ASP 27 HA ASP 27 -12.066 -4.263 -17.126 219 1HB ASP 27 1HB ASP 27 -9.355 -2.973 -17.413 220 2HB ASP 27 2HB ASP 27 -10.564 -2.367 -16.287 221 H ASN 28 H ASN 28 -10.298 -1.588 -18.507 222 HA ASN 28 HA ASN 28 -12.068 -0.524 -20.326 223 1HB ASN 28 1HB ASN 28 -13.598 -0.633 -18.208 224 2HB ASN 28 2HB ASN 28 -12.663 0.750 -17.658 225 1HD2 ASN 28 2HD2 ASN 28 -12.400 1.728 -20.487 226 2HD2 ASN 28 1HD2 ASN 28 -13.937 2.436 -20.842 227 H GLU 29 H GLU 29 -9.830 -0.096 -17.729 228 HA GLU 29 HA GLU 29 -9.323 2.692 -18.251 229 1HB GLU 29 1HB GLU 29 -7.903 0.774 -16.398 230 2HB GLU 29 2HB GLU 29 -7.754 2.526 -16.394 231 1HG GLU 29 1HG GLU 29 -10.152 2.692 -15.833 232 2HG GLU 29 2HG GLU 29 -10.217 0.931 -15.738 233 H VAL 30 H VAL 30 -8.609 0.641 -20.347 234 HA VAL 30 HA VAL 30 -5.828 1.516 -20.644 235 HB VAL 30 HB VAL 30 -5.667 -0.782 -19.962 236 1HG1 VAL 30 1HG1 VAL 30 -6.681 -2.610 -21.258 237 2HG1 VAL 30 2HG1 VAL 30 -7.527 -1.421 -22.250 238 3HG1 VAL 30 3HG1 VAL 30 -7.896 -1.557 -20.531 239 1HG2 VAL 30 1HG2 VAL 30 -4.470 -1.735 -21.864 240 2HG2 VAL 30 2HG2 VAL 30 -4.095 -0.023 -21.659 241 3HG2 VAL 30 3HG2 VAL 30 -5.205 -0.537 -22.930 242 HA PRO 31 HA PRO 31 -7.335 2.877 -24.628 243 1HB PRO 31 1HB PRO 31 -4.491 3.354 -25.161 244 2HB PRO 31 2HB PRO 31 -5.821 4.513 -25.095 245 1HG PRO 31 1HG PRO 31 -3.889 4.402 -23.201 246 2HG PRO 31 2HG PRO 31 -5.554 4.893 -22.847 247 1HD PRO 31 1HD PRO 31 -4.199 2.278 -22.321 248 2HD PRO 31 2HD PRO 31 -5.382 3.160 -21.337 249 H VAL 32 H VAL 32 -7.274 1.990 -26.711 250 HA VAL 32 HA VAL 32 -5.345 -0.101 -27.278 251 HB VAL 32 HB VAL 32 -7.155 -1.281 -26.082 252 1HG1 VAL 32 1HG1 VAL 32 -8.902 -0.358 -28.354 253 2HG1 VAL 32 2HG1 VAL 32 -9.047 0.111 -26.660 254 3HG1 VAL 32 3HG1 VAL 32 -9.350 -1.559 -27.142 255 1HG2 VAL 32 1HG2 VAL 32 -5.850 -2.482 -27.717 256 2HG2 VAL 32 2HG2 VAL 32 -6.924 -1.943 -29.007 257 3HG2 VAL 32 3HG2 VAL 32 -7.525 -3.035 -27.759 258 H HIS 33 H HIS 33 -4.676 0.032 -29.226 259 HA HIS 33 HA HIS 33 -4.500 0.458 -31.442 260 1HB HIS 33 1HB HIS 33 -7.504 0.572 -31.252 261 2HB HIS 33 2HB HIS 33 -6.647 0.880 -32.746 262 HD1 HIS 33 HD1 HIS 33 -5.352 -1.177 -33.815 263 HD2 HIS 33 HD2 HIS 33 -7.799 -2.073 -30.573 264 HE1 HIS 33 HE1 HIS 33 -5.638 -3.677 -33.849 265 H GLN 34 H GLN 34 -4.633 2.183 -33.017 266 HA GLN 34 HA GLN 34 -4.533 4.326 -33.718 267 1HB GLN 34 1HB GLN 34 -6.610 4.780 -31.581 268 2HB GLN 34 2HB GLN 34 -6.154 5.958 -32.803 269 1HG GLN 34 1HG GLN 34 -6.839 4.257 -34.530 270 2HG GLN 34 2HG GLN 34 -7.524 3.318 -33.200 271 1HE2 GLN 34 2HE2 GLN 34 -9.301 4.123 -32.075 272 2HE2 GLN 34 1HE2 GLN 34 -10.299 5.389 -32.730 273 H VAL 35 H VAL 35 -2.868 3.339 -31.393 274 HA VAL 35 HA VAL 35 -2.298 5.727 -29.894 275 HB VAL 35 HB VAL 35 -0.546 3.283 -30.239 276 1HG1 VAL 35 1HG1 VAL 35 -0.540 5.439 -28.132 277 2HG1 VAL 35 2HG1 VAL 35 0.657 5.237 -29.413 278 3HG1 VAL 35 3HG1 VAL 35 0.497 4.013 -28.154 279 1HG2 VAL 35 1HG2 VAL 35 -1.477 2.507 -28.121 280 2HG2 VAL 35 2HG2 VAL 35 -2.740 2.681 -29.340 281 3HG2 VAL 35 3HG2 VAL 35 -2.557 3.902 -28.081 282 H SER 36 H SER 36 -1.868 7.366 -31.254 283 HA SER 36 HA SER 36 -0.163 6.988 -33.547 284 1HB SER 36 1HB SER 36 -2.229 8.376 -33.609 285 2HB SER 36 2HB SER 36 -1.461 9.509 -32.501 286 HG SER 36 HG SER 36 -1.357 9.908 -34.888 287 H TYR 37 H TYR 37 1.413 8.859 -33.976 288 HA TYR 37 HA TYR 37 3.630 8.609 -32.338 289 1HB TYR 37 1HB TYR 37 3.667 9.327 -34.700 290 2HB TYR 37 2HB TYR 37 2.941 10.860 -34.242 291 HD1 TYR 37 HD1 TYR 37 5.983 8.777 -33.875 292 HD2 TYR 37 HD2 TYR 37 4.273 12.653 -33.492 293 HE1 TYR 37 HE1 TYR 37 8.226 9.731 -33.564 294 HE2 TYR 37 HE2 TYR 37 6.512 13.617 -33.182 295 HH TYR 37 HH TYR 37 9.363 11.892 -33.849 296 H THR 38 H THR 38 1.118 11.091 -32.354 297 HA THR 38 HA THR 38 2.309 12.798 -30.437 298 HB THR 38 HB THR 38 -0.652 12.485 -30.968 299 HG1 THR 38 HG1 THR 38 -0.254 13.241 -32.895 300 1HG2 THR 38 1HG2 THR 38 -0.093 13.891 -29.043 301 2HG2 THR 38 2HG2 THR 38 -0.723 14.872 -30.366 302 3HG2 THR 38 3HG2 THR 38 1.011 14.835 -30.042 303 H ASN 39 H ASN 39 0.117 10.046 -30.204 304 HA ASN 39 HA ASN 39 -0.543 10.380 -27.478 305 1HB ASN 39 1HB ASN 39 -0.646 7.954 -29.274 306 2HB ASN 39 2HB ASN 39 -1.241 7.955 -27.620 307 1HD2 ASN 39 2HD2 ASN 39 -2.245 10.732 -27.837 308 2HD2 ASN 39 1HD2 ASN 39 -3.688 10.607 -28.782 309 H LEU 40 H LEU 40 2.017 8.618 -29.149 310 HA LEU 40 HA LEU 40 3.140 7.251 -27.023 311 1HB LEU 40 1HB LEU 40 4.214 8.438 -29.517 312 2HB LEU 40 2HB LEU 40 5.383 8.034 -28.277 313 HG LEU 40 HG LEU 40 5.210 6.221 -29.856 314 1HD1 LEU 40 1HD1 LEU 40 4.657 4.383 -28.337 315 2HD1 LEU 40 2HD1 LEU 40 3.895 5.526 -27.235 316 3HD1 LEU 40 3HD1 LEU 40 5.629 5.621 -27.543 317 1HD2 LEU 40 1HD2 LEU 40 2.986 6.612 -30.717 318 2HD2 LEU 40 2HD2 LEU 40 2.278 6.168 -29.164 319 3HD2 LEU 40 3HD2 LEU 40 3.119 4.954 -30.127 320 H ALA 41 H ALA 41 3.892 10.578 -28.062 321 HA ALA 41 HA ALA 41 5.687 11.178 -26.001 322 1HB ALA 41 1HB ALA 41 5.468 12.533 -28.023 323 2HB ALA 41 2HB ALA 41 5.303 13.519 -26.569 324 3HB ALA 41 3HB ALA 41 3.873 13.066 -27.495 325 H GLU 42 H GLU 42 2.182 11.502 -26.176 326 HA GLU 42 HA GLU 42 1.827 12.871 -23.729 327 1HB GLU 42 1HB GLU 42 -0.051 11.063 -25.253 328 2HB GLU 42 2HB GLU 42 -0.529 12.085 -23.907 329 1HG GLU 42 1HG GLU 42 0.164 14.062 -25.205 330 2HG GLU 42 2HG GLU 42 0.544 13.005 -26.565 331 H MET 43 H MET 43 1.450 9.445 -24.569 332 HA MET 43 HA MET 43 0.712 8.631 -21.958 333 1HB MET 43 1HB MET 43 1.657 7.071 -24.365 334 2HB MET 43 2HB MET 43 1.034 6.328 -22.895 335 1HG MET 43 1HG MET 43 -1.123 7.099 -23.263 336 2HG MET 43 2HG MET 43 -0.586 8.376 -24.351 337 1HE MET 43 1HE MET 43 0.586 4.651 -24.410 338 2HE MET 43 2HE MET 43 -0.566 3.920 -25.527 339 3HE MET 43 3HE MET 43 -1.108 4.491 -23.948 340 H VAL 44 H VAL 44 3.814 8.854 -23.597 341 HA VAL 44 HA VAL 44 5.279 7.456 -21.586 342 HB VAL 44 HB VAL 44 6.172 9.508 -23.620 343 1HG1 VAL 44 1HG1 VAL 44 7.870 7.850 -21.759 344 2HG1 VAL 44 2HG1 VAL 44 7.654 9.597 -21.683 345 3HG1 VAL 44 3HG1 VAL 44 8.469 8.871 -23.069 346 1HG2 VAL 44 1HG2 VAL 44 6.587 6.523 -23.482 347 2HG2 VAL 44 2HG2 VAL 44 7.175 7.598 -24.752 348 3HG2 VAL 44 3HG2 VAL 44 5.441 7.352 -24.534 349 H GLY 45 H GLY 45 4.580 10.876 -22.191 350 1HA GLY 45 1HA GLY 45 6.076 11.979 -20.112 351 2HA GLY 45 2HA GLY 45 4.678 12.733 -20.859 352 H GLU 46 H GLU 46 2.724 10.827 -20.085 353 HA GLU 46 HA GLU 46 2.227 11.741 -17.433 354 1HB GLU 46 1HB GLU 46 0.169 10.391 -17.573 355 2HB GLU 46 2HB GLU 46 0.378 11.430 -18.973 356 1HG GLU 46 1HG GLU 46 1.170 9.525 -20.272 357 2HG GLU 46 2HG GLU 46 0.974 8.483 -18.863 358 H MET 47 H MET 47 3.591 8.839 -18.799 359 HA MET 47 HA MET 47 3.497 7.368 -16.329 360 1HB MET 47 1HB MET 47 3.596 6.177 -18.469 361 2HB MET 47 2HB MET 47 5.158 6.907 -18.814 362 1HG MET 47 1HG MET 47 6.174 5.741 -16.982 363 2HG MET 47 2HG MET 47 4.614 5.107 -16.468 364 1HE MET 47 1HE MET 47 3.255 4.351 -19.229 365 2HE MET 47 2HE MET 47 3.232 3.295 -17.815 366 3HE MET 47 3HE MET 47 3.726 2.658 -19.386 367 H ASN 48 H ASN 48 5.773 9.465 -17.989 368 HA ASN 48 HA ASN 48 8.073 9.118 -16.500 369 1HB ASN 48 1HB ASN 48 6.894 11.693 -17.573 370 2HB ASN 48 2HB ASN 48 8.513 11.566 -16.902 371 1HD2 ASN 48 2HD2 ASN 48 8.997 8.938 -18.031 372 2HD2 ASN 48 1HD2 ASN 48 9.236 9.182 -19.726 373 H LYS 49 H LYS 49 5.400 11.360 -15.813 374 HA LYS 49 HA LYS 49 6.468 12.260 -13.352 375 1HB LYS 49 1HB LYS 49 4.087 13.114 -12.993 376 2HB LYS 49 2HB LYS 49 4.970 13.726 -14.384 377 1HG LYS 49 1HG LYS 49 3.672 12.588 -15.888 378 2HG LYS 49 2HG LYS 49 3.186 11.368 -14.710 379 1HD LYS 49 1HD LYS 49 2.364 14.210 -14.301 380 2HD LYS 49 2HD LYS 49 1.499 13.217 -15.478 381 1HE LYS 49 1HE LYS 49 1.956 12.457 -12.598 382 2HE LYS 49 2HE LYS 49 0.480 13.205 -13.208 383 1HZ LYS 49 1HZ LYS 49 0.247 10.805 -13.060 384 2HZ LYS 49 2HZ LYS 49 1.579 10.581 -14.079 385 3HZ LYS 49 3HZ LYS 49 0.168 11.302 -14.683 386 H LEU 50 H LEU 50 4.897 9.349 -14.146 387 HA LEU 50 HA LEU 50 3.797 8.881 -11.514 388 1HB LEU 50 1HB LEU 50 4.239 7.066 -13.881 389 2HB LEU 50 2HB LEU 50 3.552 6.516 -12.365 390 HG LEU 50 HG LEU 50 2.353 8.646 -14.139 391 1HD1 LEU 50 1HD1 LEU 50 2.251 6.445 -15.174 392 2HD1 LEU 50 2HD1 LEU 50 0.652 6.968 -14.648 393 3HD1 LEU 50 3HD1 LEU 50 1.544 5.775 -13.705 394 1HD2 LEU 50 1HD2 LEU 50 0.390 8.405 -12.683 395 2HD2 LEU 50 2HD2 LEU 50 1.801 8.983 -11.795 396 3HD2 LEU 50 3HD2 LEU 50 1.298 7.299 -11.652 397 H LEU 51 H LEU 51 6.791 8.315 -13.180 398 HA LEU 51 HA LEU 51 7.742 6.630 -10.971 399 1HB LEU 51 1HB LEU 51 8.703 6.993 -13.798 400 2HB LEU 51 2HB LEU 51 9.645 6.149 -12.585 401 HG LEU 51 HG LEU 51 6.852 5.322 -13.401 402 1HD1 LEU 51 1HD1 LEU 51 8.396 5.148 -15.297 403 2HD1 LEU 51 2HD1 LEU 51 7.928 3.558 -14.691 404 3HD1 LEU 51 3HD1 LEU 51 9.515 4.219 -14.299 405 1HD2 LEU 51 1HD2 LEU 51 7.460 3.230 -12.292 406 2HD2 LEU 51 2HD2 LEU 51 7.530 4.595 -11.177 407 3HD2 LEU 51 3HD2 LEU 51 9.019 3.920 -11.838 408 H GLU 52 H GLU 52 7.698 9.766 -11.773 409 HA GLU 52 HA GLU 52 10.352 10.582 -11.287 410 1HB GLU 52 1HB GLU 52 7.717 12.005 -11.109 411 2HB GLU 52 2HB GLU 52 9.222 12.795 -10.677 412 1HG GLU 52 1HG GLU 52 8.503 11.634 -13.352 413 2HG GLU 52 2HG GLU 52 8.645 13.337 -12.934 414 HA PRO 53 HA PRO 53 8.903 11.230 -6.674 415 1HB PRO 53 1HB PRO 53 6.735 9.230 -6.445 416 2HB PRO 53 2HB PRO 53 6.824 10.874 -5.802 417 1HG PRO 53 1HG PRO 53 5.239 10.293 -7.865 418 2HG PRO 53 2HG PRO 53 6.121 11.830 -7.789 419 1HD PRO 53 1HD PRO 53 6.757 9.355 -9.355 420 2HD PRO 53 2HD PRO 53 6.841 11.057 -9.854 421 H SER 54 H SER 54 8.895 8.169 -8.337 422 HA SER 54 HA SER 54 9.813 6.705 -6.020 423 1HB SER 54 1HB SER 54 9.939 4.783 -7.625 424 2HB SER 54 2HB SER 54 8.344 5.530 -7.526 425 HG SER 54 HG SER 54 9.965 6.645 -9.439 426 H GLN 55 H GLN 55 11.760 5.247 -6.322 427 HA GLN 55 HA GLN 55 14.045 6.913 -6.856 428 1HB GLN 55 1HB GLN 55 13.874 4.005 -6.044 429 2HB GLN 55 2HB GLN 55 15.337 4.978 -6.036 430 1HG GLN 55 1HG GLN 55 12.902 5.646 -4.415 431 2HG GLN 55 2HG GLN 55 14.224 4.648 -3.813 432 1HE2 GLN 55 2HE2 GLN 55 13.183 7.334 -3.019 433 2HE2 GLN 55 1HE2 GLN 55 14.578 8.364 -3.028 434 H VAL 56 H VAL 56 12.207 4.588 -8.557 435 HA VAL 56 HA VAL 56 14.321 3.793 -10.344 436 HB VAL 56 HB VAL 56 11.363 3.288 -10.694 437 1HG1 VAL 56 1HG1 VAL 56 13.786 1.830 -11.740 438 2HG1 VAL 56 2HG1 VAL 56 12.740 2.898 -12.674 439 3HG1 VAL 56 3HG1 VAL 56 12.103 1.386 -12.030 440 1HG2 VAL 56 1HG2 VAL 56 11.736 1.131 -9.600 441 2HG2 VAL 56 2HG2 VAL 56 12.046 2.480 -8.507 442 3HG2 VAL 56 3HG2 VAL 56 13.395 1.608 -9.236 443 H HIS 57 H HIS 57 14.939 5.848 -11.163 444 HA HIS 57 HA HIS 57 13.009 7.349 -12.703 445 1HB HIS 57 1HB HIS 57 15.941 7.710 -12.131 446 2HB HIS 57 2HB HIS 57 15.132 8.668 -13.367 447 HD1 HIS 57 HD1 HIS 57 13.730 10.611 -12.609 448 HD2 HIS 57 HD2 HIS 57 14.990 8.202 -9.462 449 HE1 HIS 57 HE1 HIS 57 13.116 11.859 -10.516 450 H LEU 58 H LEU 58 12.379 5.738 -14.166 451 HA LEU 58 HA LEU 58 14.281 4.757 -16.100 452 1HB LEU 58 1HB LEU 58 11.265 4.683 -16.049 453 2HB LEU 58 2HB LEU 58 12.251 3.915 -17.278 454 HG LEU 58 HG LEU 58 12.238 3.223 -14.343 455 1HD1 LEU 58 1HD1 LEU 58 11.164 1.163 -15.058 456 2HD1 LEU 58 2HD1 LEU 58 11.165 1.725 -16.729 457 3HD1 LEU 58 3HD1 LEU 58 10.197 2.565 -15.516 458 1HD2 LEU 58 1HD2 LEU 58 14.437 2.872 -15.321 459 2HD2 LEU 58 2HD2 LEU 58 13.722 1.970 -16.656 460 3HD2 LEU 58 3HD2 LEU 58 13.648 1.325 -15.018 461 H LYS 59 H LYS 59 15.031 5.933 -17.734 462 HA LYS 59 HA LYS 59 13.488 8.234 -18.662 463 1HB LYS 59 1HB LYS 59 16.278 7.287 -19.323 464 2HB LYS 59 2HB LYS 59 15.510 8.660 -20.102 465 1HG LYS 59 1HG LYS 59 15.240 9.633 -17.772 466 2HG LYS 59 2HG LYS 59 16.356 8.375 -17.242 467 1HD LYS 59 1HD LYS 59 16.932 10.385 -19.414 468 2HD LYS 59 2HD LYS 59 17.480 10.522 -17.742 469 1HE LYS 59 1HE LYS 59 18.843 8.583 -17.949 470 2HE LYS 59 2HE LYS 59 18.124 8.168 -19.505 471 1HZ LYS 59 1HZ LYS 59 19.516 10.742 -19.169 472 2HZ LYS 59 2HZ LYS 59 19.274 9.826 -20.582 473 3HZ LYS 59 3HZ LYS 59 20.412 9.329 -19.432 474 H PHE 60 H PHE 60 12.176 8.062 -20.319 475 HA PHE 60 HA PHE 60 12.460 5.754 -22.113 476 1HB PHE 60 1HB PHE 60 10.054 7.526 -21.629 477 2HB PHE 60 2HB PHE 60 10.093 6.097 -22.655 478 HD1 PHE 60 HD1 PHE 60 9.326 7.338 -19.463 479 HD2 PHE 60 HD2 PHE 60 10.796 3.879 -21.457 480 HE1 PHE 60 HE1 PHE 60 8.667 5.957 -17.538 481 HE2 PHE 60 HE2 PHE 60 10.135 2.490 -19.538 482 HZ PHE 60 HZ PHE 60 9.067 3.529 -17.576 483 H GLU 61 H GLU 61 13.267 6.160 -24.077 484 HA GLU 61 HA GLU 61 12.836 8.862 -25.177 485 1HB GLU 61 1HB GLU 61 15.174 7.000 -25.656 486 2HB GLU 61 2HB GLU 61 14.930 8.545 -26.459 487 1HG GLU 61 1HG GLU 61 14.928 9.575 -24.141 488 2HG GLU 61 2HG GLU 61 15.549 8.025 -23.574 489 H LEU 62 H LEU 62 11.950 9.035 -27.138 490 HA LEU 62 HA LEU 62 11.000 6.566 -28.377 491 1HB LEU 62 1HB LEU 62 9.441 8.460 -27.862 492 2HB LEU 62 2HB LEU 62 10.305 9.431 -29.038 493 HG LEU 62 HG LEU 62 9.662 7.760 -30.794 494 1HD1 LEU 62 1HD1 LEU 62 9.265 5.846 -29.343 495 2HD1 LEU 62 2HD1 LEU 62 7.829 6.221 -30.295 496 3HD1 LEU 62 3HD1 LEU 62 7.904 6.681 -28.594 497 1HD2 LEU 62 1HD2 LEU 62 8.437 9.844 -30.521 498 2HD2 LEU 62 2HD2 LEU 62 7.412 9.096 -29.296 499 3HD2 LEU 62 3HD2 LEU 62 7.345 8.533 -30.966 500 H HIS 63 H HIS 63 12.172 5.708 -29.952 501 HA HIS 63 HA HIS 63 13.508 7.548 -31.807 502 1HB HIS 63 1HB HIS 63 14.700 5.288 -30.302 503 2HB HIS 63 2HB HIS 63 15.182 5.459 -31.989 504 HD1 HIS 63 HD1 HIS 63 16.718 7.378 -32.594 505 HD2 HIS 63 HD2 HIS 63 15.465 7.475 -28.626 506 HE1 HIS 63 HE1 HIS 63 18.106 9.163 -31.484 507 H ASP 64 H ASP 64 13.405 7.089 -33.899 508 HA ASP 64 HA ASP 64 11.489 4.987 -34.625 509 1HB ASP 64 1HB ASP 64 10.852 6.438 -36.474 510 2HB ASP 64 2HB ASP 64 10.765 7.333 -34.963 511 H LYS 65 H LYS 65 11.724 4.013 -36.729 512 HA LYS 65 HA LYS 65 14.053 4.392 -38.318 513 1HB LYS 65 1HB LYS 65 15.134 2.255 -38.001 514 2HB LYS 65 2HB LYS 65 15.034 3.086 -36.463 515 1HG LYS 65 1HG LYS 65 13.112 1.698 -35.841 516 2HG LYS 65 2HG LYS 65 13.264 0.838 -37.373 517 1HD LYS 65 1HD LYS 65 15.515 0.118 -36.751 518 2HD LYS 65 2HD LYS 65 15.377 0.985 -35.222 519 1HE LYS 65 1HE LYS 65 13.466 -0.445 -34.617 520 2HE LYS 65 2HE LYS 65 13.673 -1.328 -36.129 521 1HZ LYS 65 1HZ LYS 65 15.806 -1.103 -34.075 522 2HZ LYS 65 2HZ LYS 65 15.768 -2.139 -35.415 523 3HZ LYS 65 3HZ LYS 65 14.701 -2.386 -34.123 524 H LEU 66 H LEU 66 13.567 3.870 -40.331 525 HA LEU 66 HA LEU 66 12.602 3.001 -42.155 526 1HB LEU 66 1HB LEU 66 13.304 0.856 -40.988 527 2HB LEU 66 2HB LEU 66 11.642 0.716 -40.449 528 HG LEU 66 HG LEU 66 11.032 0.912 -42.923 529 1HD1 LEU 66 1HD1 LEU 66 13.202 1.647 -43.718 530 2HD1 LEU 66 2HD1 LEU 66 12.734 0.127 -44.481 531 3HD1 LEU 66 3HD1 LEU 66 13.924 0.130 -43.179 532 1HD2 LEU 66 1HD2 LEU 66 12.448 -1.538 -41.882 533 2HD2 LEU 66 2HD2 LEU 66 11.332 -1.504 -43.248 534 3HD2 LEU 66 3HD2 LEU 66 10.753 -1.125 -41.626 535 H ASN 67 H ASN 67 10.248 1.638 -39.905 536 HA ASN 67 HA ASN 67 8.361 3.779 -40.452 537 1HB ASN 67 1HB ASN 67 6.609 2.361 -41.281 538 2HB ASN 67 2HB ASN 67 8.030 2.086 -42.277 539 1HD2 ASN 67 2HD2 ASN 67 5.806 0.736 -40.030 540 2HD2 ASN 67 1HD2 ASN 67 6.366 -0.899 -40.115 541 H GLU 68 H GLU 68 9.906 2.160 -38.264 542 HA GLU 68 HA GLU 68 7.591 1.748 -36.484 543 1HB GLU 68 1HB GLU 68 10.308 0.421 -36.488 544 2HB GLU 68 2HB GLU 68 9.178 0.297 -35.149 545 1HG GLU 68 1HG GLU 68 8.608 -0.615 -37.959 546 2HG GLU 68 2HG GLU 68 9.167 -1.655 -36.653 547 H TYR 69 H TYR 69 7.839 2.447 -34.312 548 HA TYR 69 HA TYR 69 10.204 3.900 -33.549 549 1HB TYR 69 1HB TYR 69 8.988 5.989 -32.968 550 2HB TYR 69 2HB TYR 69 9.043 5.694 -34.698 551 HD1 TYR 69 HD1 TYR 69 6.938 4.689 -35.792 552 HD2 TYR 69 HD2 TYR 69 6.955 6.390 -31.890 553 HE1 TYR 69 HE1 TYR 69 4.502 4.989 -35.915 554 HE2 TYR 69 HE2 TYR 69 4.516 6.681 -32.002 555 HH TYR 69 HH TYR 69 2.585 5.192 -34.309 556 H TYR 70 H TYR 70 10.599 3.244 -31.541 557 HA TYR 70 HA TYR 70 8.290 2.613 -29.850 558 1HB TYR 70 1HB TYR 70 9.561 0.629 -28.976 559 2HB TYR 70 2HB TYR 70 8.967 0.480 -30.621 560 HD1 TYR 70 HD1 TYR 70 10.400 -0.355 -32.221 561 HD2 TYR 70 HD2 TYR 70 12.053 1.508 -28.775 562 HE1 TYR 70 HE1 TYR 70 12.652 -1.008 -32.956 563 HE2 TYR 70 HE2 TYR 70 14.310 0.865 -29.503 564 HH TYR 70 HH TYR 70 15.350 -0.898 -30.927 565 H VAL 71 H VAL 71 9.179 2.007 -27.549 566 HA VAL 71 HA VAL 71 10.512 4.479 -26.739 567 HB VAL 71 HB VAL 71 8.883 2.553 -25.079 568 1HG1 VAL 71 1HG1 VAL 71 10.494 3.836 -23.770 569 2HG1 VAL 71 2HG1 VAL 71 8.842 4.348 -23.426 570 3HG1 VAL 71 3HG1 VAL 71 9.873 5.333 -24.464 571 1HG2 VAL 71 1HG2 VAL 71 8.106 5.191 -26.311 572 2HG2 VAL 71 2HG2 VAL 71 7.120 4.261 -25.182 573 3HG2 VAL 71 3HG2 VAL 71 7.500 3.601 -26.774 574 H LYS 72 H LYS 72 12.556 4.385 -26.217 575 HA LYS 72 HA LYS 72 13.876 1.937 -25.424 576 1HB LYS 72 1HB LYS 72 14.899 4.774 -25.470 577 2HB LYS 72 2HB LYS 72 15.872 3.322 -25.273 578 1HG LYS 72 1HG LYS 72 15.185 2.597 -27.527 579 2HG LYS 72 2HG LYS 72 14.304 4.120 -27.716 580 1HD LYS 72 1HD LYS 72 16.462 4.339 -28.748 581 2HD LYS 72 2HD LYS 72 16.426 5.330 -27.291 582 1HE LYS 72 1HE LYS 72 18.414 4.299 -26.931 583 2HE LYS 72 2HE LYS 72 17.365 3.082 -26.223 584 1HZ LYS 72 1HZ LYS 72 19.015 2.129 -27.730 585 2HZ LYS 72 2HZ LYS 72 18.378 3.029 -29.015 586 3HZ LYS 72 3HZ LYS 72 17.434 1.830 -28.269 587 H VAL 73 H VAL 73 13.896 1.222 -23.384 588 HA VAL 73 HA VAL 73 13.263 3.094 -21.219 589 HB VAL 73 HB VAL 73 13.541 0.087 -21.089 590 1HG1 VAL 73 1HG1 VAL 73 13.853 1.226 -18.945 591 2HG1 VAL 73 2HG1 VAL 73 12.367 0.276 -18.967 592 3HG1 VAL 73 3HG1 VAL 73 12.296 2.029 -19.147 593 1HG2 VAL 73 1HG2 VAL 73 11.720 0.685 -22.586 594 2HG2 VAL 73 2HG2 VAL 73 11.047 1.762 -21.363 595 3HG2 VAL 73 3HG2 VAL 73 11.087 0.022 -21.078 596 H ILE 74 H ILE 74 14.920 4.056 -20.287 597 HA ILE 74 HA ILE 74 17.435 2.548 -19.970 598 HB ILE 74 HB ILE 74 17.062 5.547 -20.162 599 1HG1 ILE 74 1HG1 ILE 74 18.318 3.594 -22.104 600 2HG1 ILE 74 2HG1 ILE 74 16.762 4.388 -22.315 601 1HG2 ILE 74 1HG2 ILE 74 19.514 5.647 -20.183 602 2HG2 ILE 74 2HG2 ILE 74 19.581 3.906 -19.906 603 3HG2 ILE 74 3HG2 ILE 74 18.896 4.969 -18.676 604 1HD1 ILE 74 1HD1 ILE 74 19.440 5.749 -22.194 605 2HD1 ILE 74 2HD1 ILE 74 17.884 6.554 -22.391 606 3HD1 ILE 74 3HD1 ILE 74 18.477 5.462 -23.643 607 H GLU 75 H GLU 75 17.732 1.903 -17.944 608 HA GLU 75 HA GLU 75 16.475 3.185 -15.705 609 1HB GLU 75 1HB GLU 75 17.015 0.731 -15.804 610 2HB GLU 75 2HB GLU 75 18.718 1.147 -15.703 611 1HG GLU 75 1HG GLU 75 18.143 2.332 -13.536 612 2HG GLU 75 2HG GLU 75 16.586 1.513 -13.627 613 H ASP 76 H ASP 76 17.188 5.137 -15.022 614 HA ASP 76 HA ASP 76 19.576 6.239 -16.048 615 1HB ASP 76 1HB ASP 76 17.489 7.502 -15.438 616 2HB ASP 76 2HB ASP 76 17.965 7.343 -13.750 617 H SER 77 H SER 77 19.070 4.318 -13.266 618 HA SER 77 HA SER 77 21.268 5.362 -11.754 619 1HB SER 77 1HB SER 77 20.928 3.018 -10.584 620 2HB SER 77 2HB SER 77 19.771 4.330 -10.346 621 HG SER 77 HG SER 77 19.537 1.985 -11.895 622 H THR 78 H THR 78 20.869 2.926 -14.214 623 HA THR 78 HA THR 78 23.691 2.155 -13.909 624 HB THR 78 HB THR 78 22.932 0.363 -15.664 625 HG1 THR 78 HG1 THR 78 20.451 0.483 -14.402 626 1HG2 THR 78 1HG2 THR 78 22.282 -1.145 -13.851 627 2HG2 THR 78 2HG2 THR 78 22.019 0.238 -12.787 628 3HG2 THR 78 3HG2 THR 78 23.643 -0.133 -13.367 629 H ASN 79 H ASN 79 21.459 3.831 -15.877 630 HA ASN 79 HA ASN 79 21.684 5.207 -17.648 631 1HB ASN 79 1HB ASN 79 24.629 4.792 -17.127 632 2HB ASN 79 2HB ASN 79 24.010 5.876 -18.370 633 1HD2 ASN 79 2HD2 ASN 79 22.953 7.766 -17.757 634 2HD2 ASN 79 1HD2 ASN 79 23.055 8.399 -16.151 635 H GLU 80 H GLU 80 21.668 2.182 -17.892 636 HA GLU 80 HA GLU 80 22.647 2.074 -20.666 637 1HB GLU 80 1HB GLU 80 22.790 -0.370 -20.405 638 2HB GLU 80 2HB GLU 80 23.822 0.476 -19.262 639 1HG GLU 80 1HG GLU 80 22.149 0.126 -17.510 640 2HG GLU 80 2HG GLU 80 21.140 -0.748 -18.661 641 H VAL 81 H VAL 81 21.356 0.885 -22.199 642 HA VAL 81 HA VAL 81 18.529 1.380 -21.796 643 HB VAL 81 HB VAL 81 19.868 0.118 -24.199 644 1HG1 VAL 81 1HG1 VAL 81 17.874 0.859 -25.398 645 2HG1 VAL 81 2HG1 VAL 81 17.211 1.521 -23.905 646 3HG1 VAL 81 3HG1 VAL 81 17.448 -0.220 -24.069 647 1HG2 VAL 81 1HG2 VAL 81 19.255 3.030 -23.685 648 2HG2 VAL 81 2HG2 VAL 81 19.851 2.354 -25.202 649 3HG2 VAL 81 3HG2 VAL 81 20.861 2.303 -23.756 650 H ILE 82 H ILE 82 17.624 -0.071 -20.456 651 HA ILE 82 HA ILE 82 18.487 -2.820 -20.448 652 HB ILE 82 HB ILE 82 16.826 -3.080 -18.595 653 1HG1 ILE 82 1HG1 ILE 82 16.526 -0.082 -18.893 654 2HG1 ILE 82 2HG1 ILE 82 15.296 -1.261 -19.326 655 1HG2 ILE 82 1HG2 ILE 82 18.136 -1.780 -16.981 656 2HG2 ILE 82 2HG2 ILE 82 18.858 -0.872 -18.309 657 3HG2 ILE 82 3HG2 ILE 82 19.166 -2.602 -18.154 658 1HD1 ILE 82 1HD1 ILE 82 16.397 -0.815 -16.564 659 2HD1 ILE 82 2HD1 ILE 82 15.143 -1.972 -17.006 660 3HD1 ILE 82 3HD1 ILE 82 14.841 -0.241 -17.162 661 H ARG 83 H ARG 83 16.045 -1.066 -22.081 662 HA ARG 83 HA ARG 83 15.066 -3.476 -23.275 663 1HB ARG 83 1HB ARG 83 13.843 -3.043 -20.938 664 2HB ARG 83 2HB ARG 83 12.861 -1.986 -21.939 665 1HG ARG 83 1HG ARG 83 11.794 -4.121 -21.796 666 2HG ARG 83 2HG ARG 83 12.408 -3.915 -23.439 667 1HD ARG 83 1HD ARG 83 14.287 -5.324 -22.983 668 2HD ARG 83 2HD ARG 83 13.895 -5.380 -21.267 669 HE ARG 83 HE ARG 83 11.823 -6.417 -22.978 670 1HH1 ARG 83 1HH1 ARG 83 14.801 -7.155 -21.303 671 2HH1 ARG 83 2HH1 ARG 83 14.434 -8.843 -21.113 672 1HH2 ARG 83 1HH2 ARG 83 11.324 -8.645 -22.748 673 2HH2 ARG 83 2HH2 ARG 83 12.447 -9.686 -21.926 674 H GLU 84 H GLU 84 13.855 -3.104 -25.145 675 HA GLU 84 HA GLU 84 13.153 -0.302 -25.731 676 1HB GLU 84 1HB GLU 84 14.115 -2.396 -27.692 677 2HB GLU 84 2HB GLU 84 13.536 -0.798 -28.130 678 1HG GLU 84 1HG GLU 84 15.401 0.139 -26.720 679 2HG GLU 84 2HG GLU 84 16.034 -1.503 -26.621 680 H ILE 85 H ILE 85 11.004 -0.242 -25.461 681 HA ILE 85 HA ILE 85 9.458 -2.671 -26.032 682 HB ILE 85 HB ILE 85 8.682 -0.233 -24.419 683 1HG1 ILE 85 1HG1 ILE 85 9.490 -3.016 -23.535 684 2HG1 ILE 85 2HG1 ILE 85 10.472 -1.563 -23.372 685 1HG2 ILE 85 1HG2 ILE 85 6.773 -1.574 -23.679 686 2HG2 ILE 85 2HG2 ILE 85 7.269 -2.877 -24.758 687 3HG2 ILE 85 3HG2 ILE 85 6.747 -1.331 -25.427 688 1HD1 ILE 85 1HD1 ILE 85 7.812 -2.024 -22.042 689 2HD1 ILE 85 2HD1 ILE 85 8.850 -0.614 -21.841 690 3HD1 ILE 85 3HD1 ILE 85 9.389 -2.195 -21.273 691 HA PRO 86 HA PRO 86 7.823 -0.623 -29.688 692 1HB PRO 86 1HB PRO 86 6.031 -2.615 -30.251 693 2HB PRO 86 2HB PRO 86 7.735 -2.672 -30.710 694 1HG PRO 86 1HG PRO 86 6.358 -3.939 -28.372 695 2HG PRO 86 2HG PRO 86 7.594 -4.621 -29.449 696 1HD PRO 86 1HD PRO 86 8.212 -3.687 -27.006 697 2HD PRO 86 2HD PRO 86 9.322 -3.509 -28.378 698 HA PRO 87 HA PRO 87 4.439 1.477 -27.867 699 1HB PRO 87 1HB PRO 87 3.058 2.213 -30.130 700 2HB PRO 87 2HB PRO 87 4.494 3.041 -29.525 701 1HG PRO 87 1HG PRO 87 4.253 1.007 -31.696 702 2HG PRO 87 2HG PRO 87 5.251 2.471 -31.636 703 1HD PRO 87 1HD PRO 87 6.291 0.031 -31.203 704 2HD PRO 87 2HD PRO 87 6.873 1.464 -30.330 705 H LYS 88 H LYS 88 3.846 -1.139 -30.076 706 HA LYS 88 HA LYS 88 1.038 -1.314 -29.582 707 1HB LYS 88 1HB LYS 88 1.187 -3.474 -30.766 708 2HB LYS 88 2HB LYS 88 1.929 -2.157 -31.659 709 1HG LYS 88 1HG LYS 88 4.149 -2.916 -30.834 710 2HG LYS 88 2HG LYS 88 3.349 -4.313 -30.107 711 1HD LYS 88 1HD LYS 88 2.504 -4.958 -32.324 712 2HD LYS 88 2HD LYS 88 3.354 -3.585 -33.034 713 1HE LYS 88 1HE LYS 88 5.484 -4.529 -32.218 714 2HE LYS 88 2HE LYS 88 4.600 -5.926 -31.604 715 1HZ LYS 88 1HZ LYS 88 5.504 -6.477 -33.720 716 2HZ LYS 88 2HZ LYS 88 4.864 -5.081 -34.436 717 3HZ LYS 88 3HZ LYS 88 3.827 -6.318 -33.911 718 H ARG 89 H ARG 89 3.810 -2.313 -27.842 719 HA ARG 89 HA ARG 89 2.065 -3.931 -26.103 720 1HB ARG 89 1HB ARG 89 5.039 -4.159 -26.549 721 2HB ARG 89 2HB ARG 89 4.194 -4.954 -25.226 722 1HG ARG 89 1HG ARG 89 2.699 -5.943 -27.087 723 2HG ARG 89 2HG ARG 89 4.018 -5.480 -28.161 724 1HD ARG 89 1HD ARG 89 4.221 -7.292 -25.762 725 2HD ARG 89 2HD ARG 89 4.256 -7.790 -27.448 726 HE ARG 89 HE ARG 89 6.363 -6.299 -26.042 727 1HH1 ARG 89 1HH1 ARG 89 5.268 -8.177 -28.784 728 2HH1 ARG 89 2HH1 ARG 89 6.863 -8.361 -29.463 729 1HH2 ARG 89 1HH2 ARG 89 8.480 -6.596 -26.905 730 2HH2 ARG 89 2HH2 ARG 89 8.688 -7.497 -28.379 731 H TRP 90 H TRP 90 3.153 -0.978 -26.417 732 HA TRP 90 HA TRP 90 4.182 -0.365 -23.832 733 1HB TRP 90 1HB TRP 90 4.522 1.109 -25.780 734 2HB TRP 90 2HB TRP 90 2.790 1.404 -25.866 735 HD1 TRP 90 HD1 TRP 90 1.903 3.414 -24.536 736 HE1 TRP 90 HE1 TRP 90 2.896 5.048 -22.818 737 HE3 TRP 90 HE3 TRP 90 6.388 1.101 -23.722 738 HZ2 TRP 90 HZ2 TRP 90 5.274 5.327 -21.320 739 HZ3 TRP 90 HZ3 TRP 90 7.964 2.117 -22.130 740 HH2 TRP 90 HH2 TRP 90 7.415 4.188 -20.951 741 H LEU 91 H LEU 91 1.056 -0.815 -25.233 742 HA LEU 91 HA LEU 91 -0.529 0.423 -23.250 743 1HB LEU 91 1HB LEU 91 -1.202 -1.905 -25.057 744 2HB LEU 91 2HB LEU 91 -2.360 -0.917 -24.183 745 HG LEU 91 HG LEU 91 -0.531 0.089 -26.364 746 1HD1 LEU 91 1HD1 LEU 91 -2.229 -1.447 -27.219 747 2HD1 LEU 91 2HD1 LEU 91 -2.534 0.212 -27.732 748 3HD1 LEU 91 3HD1 LEU 91 -3.486 -0.494 -26.428 749 1HD2 LEU 91 1HD2 LEU 91 -1.929 2.100 -26.268 750 2HD2 LEU 91 2HD2 LEU 91 -1.087 1.812 -24.744 751 3HD2 LEU 91 3HD2 LEU 91 -2.800 1.421 -24.893 752 H ASP 92 H ASP 92 0.539 -2.923 -23.729 753 HA ASP 92 HA ASP 92 -0.643 -4.060 -21.459 754 1HB ASP 92 1HB ASP 92 2.028 -4.899 -22.602 755 2HB ASP 92 2HB ASP 92 0.824 -5.912 -21.810 756 H PHE 93 H PHE 93 2.468 -2.480 -21.954 757 HA PHE 93 HA PHE 93 3.503 -2.905 -19.362 758 1HB PHE 93 1HB PHE 93 4.842 -2.212 -21.351 759 2HB PHE 93 2HB PHE 93 4.108 -0.617 -21.249 760 HD1 PHE 93 HD1 PHE 93 5.134 1.034 -19.989 761 HD2 PHE 93 HD2 PHE 93 6.091 -3.042 -19.247 762 HE1 PHE 93 HE1 PHE 93 6.903 1.735 -18.430 763 HE2 PHE 93 HE2 PHE 93 7.861 -2.348 -17.686 764 HZ PHE 93 HZ PHE 93 8.266 0.047 -17.276 765 H TYR 94 H TYR 94 1.660 -0.226 -20.784 766 HA TYR 94 HA TYR 94 1.625 1.444 -18.524 767 1HB TYR 94 1HB TYR 94 0.961 2.142 -20.822 768 2HB TYR 94 2HB TYR 94 -0.506 1.187 -20.661 769 HD1 TYR 94 HD1 TYR 94 1.316 4.082 -19.220 770 HD2 TYR 94 HD2 TYR 94 -2.429 2.106 -19.647 771 HE1 TYR 94 HE1 TYR 94 0.185 6.032 -18.234 772 HE2 TYR 94 HE2 TYR 94 -3.573 4.049 -18.662 773 HH TYR 94 HH TYR 94 -2.049 7.069 -18.243 774 H ALA 95 H ALA 95 -0.502 -1.186 -19.531 775 HA ALA 95 HA ALA 95 -2.463 -0.919 -17.542 776 1HB ALA 95 1HB ALA 95 -3.021 -3.251 -18.030 777 2HB ALA 95 2HB ALA 95 -1.507 -3.432 -18.916 778 3HB ALA 95 3HB ALA 95 -2.753 -2.335 -19.514 779 H ALA 96 H ALA 96 0.446 -2.983 -17.615 780 HA ALA 96 HA ALA 96 0.191 -4.035 -15.027 781 1HB ALA 96 1HB ALA 96 2.742 -3.500 -16.551 782 2HB ALA 96 2HB ALA 96 1.725 -4.931 -16.730 783 3HB ALA 96 3HB ALA 96 2.543 -4.614 -15.200 784 H MET 97 H MET 97 1.697 -1.084 -16.212 785 HA MET 97 HA MET 97 2.911 -0.286 -13.805 786 1HB MET 97 1HB MET 97 2.055 1.192 -16.269 787 2HB MET 97 2HB MET 97 2.687 2.062 -14.879 788 1HG MET 97 1HG MET 97 4.181 -0.208 -16.134 789 2HG MET 97 2HG MET 97 4.313 1.441 -16.737 790 1HE MET 97 1HE MET 97 4.171 3.207 -14.188 791 2HE MET 97 2HE MET 97 5.416 3.422 -15.419 792 3HE MET 97 3HE MET 97 5.867 3.327 -13.716 793 H THR 98 H THR 98 -0.302 0.541 -15.159 794 HA THR 98 HA THR 98 -0.871 2.359 -13.047 795 HB THR 98 HB THR 98 -1.994 2.530 -15.236 796 HG1 THR 98 HG1 THR 98 -3.328 2.467 -12.795 797 1HG2 THR 98 1HG2 THR 98 -3.912 1.067 -15.736 798 2HG2 THR 98 2HG2 THR 98 -3.496 0.067 -14.344 799 3HG2 THR 98 3HG2 THR 98 -2.389 0.180 -15.712 800 H GLU 99 H GLU 99 -1.241 -1.102 -13.314 801 HA GLU 99 HA GLU 99 -3.061 -1.298 -11.113 802 1HB GLU 99 1HB GLU 99 -1.217 -3.350 -12.333 803 2HB GLU 99 2HB GLU 99 -2.377 -3.700 -11.061 804 1HG GLU 99 1HG GLU 99 -4.158 -2.824 -12.645 805 2HG GLU 99 2HG GLU 99 -2.917 -2.884 -13.898 806 H PHE 100 H PHE 100 0.452 -1.519 -11.465 807 HA PHE 100 HA PHE 100 0.825 -2.044 -8.652 808 1HB PHE 100 1HB PHE 100 2.338 -3.020 -10.326 809 2HB PHE 100 2HB PHE 100 2.858 -1.407 -10.802 810 HD1 PHE 100 HD1 PHE 100 4.880 -0.708 -9.963 811 HD2 PHE 100 HD2 PHE 100 2.520 -3.404 -7.666 812 HE1 PHE 100 HE1 PHE 100 6.636 -0.772 -8.239 813 HE2 PHE 100 HE2 PHE 100 4.270 -3.472 -5.939 814 HZ PHE 100 HZ PHE 100 6.332 -2.151 -6.225 815 H LEU 101 H LEU 101 1.707 0.655 -10.832 816 HA LEU 101 HA LEU 101 2.614 2.326 -8.712 817 1HB LEU 101 1HB LEU 101 1.903 2.887 -11.592 818 2HB LEU 101 2HB LEU 101 2.377 4.162 -10.494 819 HG LEU 101 HG LEU 101 4.224 3.434 -11.928 820 1HD1 LEU 101 1HD1 LEU 101 4.725 4.350 -9.748 821 2HD1 LEU 101 2HD1 LEU 101 5.894 3.107 -10.197 822 3HD1 LEU 101 3HD1 LEU 101 4.620 2.742 -9.032 823 1HD2 LEU 101 1HD2 LEU 101 3.611 1.106 -12.231 824 2HD2 LEU 101 2HD2 LEU 101 3.949 0.783 -10.531 825 3HD2 LEU 101 3HD2 LEU 101 5.259 1.249 -11.616 826 H GLY 102 H GLY 102 -0.482 1.565 -9.986 827 1HA GLY 102 1HA GLY 102 -1.791 3.939 -9.007 828 2HA GLY 102 2HA GLY 102 -2.588 2.507 -9.621 829 H LEU 103 H LEU 103 -0.437 1.376 -7.457 830 HA LEU 103 HA LEU 103 -2.340 1.369 -5.244 831 1HB LEU 103 1HB LEU 103 0.380 0.072 -5.512 832 2HB LEU 103 2HB LEU 103 -0.698 -0.129 -4.144 833 HG LEU 103 HG LEU 103 -1.288 -1.013 -6.973 834 1HD1 LEU 103 1HD1 LEU 103 -1.025 -3.276 -6.075 835 2HD1 LEU 103 2HD1 LEU 103 -0.535 -2.601 -4.520 836 3HD1 LEU 103 3HD1 LEU 103 0.468 -2.347 -5.950 837 1HD2 LEU 103 1HD2 LEU 103 -3.306 -0.403 -5.754 838 2HD2 LEU 103 2HD2 LEU 103 -2.817 -1.425 -4.404 839 3HD2 LEU 103 3HD2 LEU 103 -3.210 -2.151 -5.962 840 H PHE 104 H PHE 104 0.244 3.171 -6.374 841 HA PHE 104 HA PHE 104 0.949 4.217 -3.728 842 1HB PHE 104 1HB PHE 104 2.245 4.631 -6.432 843 2HB PHE 104 2HB PHE 104 2.829 5.310 -4.918 844 HD1 PHE 104 HD1 PHE 104 2.455 2.257 -6.899 845 HD2 PHE 104 HD2 PHE 104 3.981 3.953 -3.312 846 HE1 PHE 104 HE1 PHE 104 3.790 0.227 -6.514 847 HE2 PHE 104 HE2 PHE 104 5.322 1.929 -2.918 848 HZ PHE 104 HZ PHE 104 5.224 0.062 -4.521 849 H VAL 105 H VAL 105 -1.520 4.728 -5.471 850 HA VAL 105 HA VAL 105 -1.320 7.379 -6.437 851 HB VAL 105 HB VAL 105 -3.833 7.310 -6.536 852 1HG1 VAL 105 1HG1 VAL 105 -2.467 6.697 -8.429 853 2HG1 VAL 105 2HG1 VAL 105 -3.888 5.655 -8.335 854 3HG1 VAL 105 3HG1 VAL 105 -2.316 5.057 -7.805 855 1HG2 VAL 105 1HG2 VAL 105 -3.421 4.491 -5.558 856 2HG2 VAL 105 2HG2 VAL 105 -4.935 5.157 -6.174 857 3HG2 VAL 105 3HG2 VAL 105 -4.236 5.784 -4.679 858 H ASP 106 H ASP 106 -0.459 8.582 -4.820 859 HA ASP 106 HA ASP 106 -1.553 9.129 -2.323 860 1HB ASP 106 1HB ASP 106 0.597 9.985 -2.756 861 2HB ASP 106 2HB ASP 106 0.087 10.710 -4.273 862 H GLU 107 H GLU 107 -1.777 11.139 -5.104 863 HA GLU 107 HA GLU 107 -4.483 11.336 -5.520 864 1HB GLU 107 1HB GLU 107 -4.720 12.343 -3.305 865 2HB GLU 107 2HB GLU 107 -3.458 13.513 -3.674 866 1HG GLU 107 1HG GLU 107 -4.901 14.381 -5.509 867 2HG GLU 107 2HG GLU 107 -6.179 13.309 -4.939 868 H LYS 108 H LYS 108 -1.728 13.506 -5.084 869 HA LYS 108 HA LYS 108 -2.241 15.076 -7.379 870 1HB LYS 108 1HB LYS 108 0.348 14.672 -5.876 871 2HB LYS 108 2HB LYS 108 0.004 15.982 -6.997 872 1HG LYS 108 1HG LYS 108 -1.515 15.488 -4.449 873 2HG LYS 108 2HG LYS 108 -0.171 16.617 -4.609 874 1HD LYS 108 1HD LYS 108 -2.562 16.806 -6.405 875 2HD LYS 108 2HD LYS 108 -2.591 17.510 -4.790 876 1HE LYS 108 1HE LYS 108 -1.957 19.212 -6.364 877 2HE LYS 108 2HE LYS 108 -0.563 18.811 -5.366 878 1HZ LYS 108 1HZ LYS 108 0.339 17.503 -7.156 879 2HZ LYS 108 2HZ LYS 108 -0.009 19.057 -7.726 880 3HZ LYS 108 3HZ LYS 108 -1.038 17.767 -8.112 881 H LYS 109 H LYS 109 -1.059 11.950 -7.086 882 HA LYS 109 HA LYS 109 0.694 12.098 -9.404 883 1HB LYS 109 1HB LYS 109 0.053 9.884 -7.457 884 2HB LYS 109 2HB LYS 109 1.004 9.614 -8.906 885 1HG LYS 109 1HG LYS 109 2.525 9.872 -7.109 886 2HG LYS 109 2HG LYS 109 2.611 11.345 -8.073 887 1HD LYS 109 1HD LYS 109 1.317 12.555 -6.471 888 2HD LYS 109 2HD LYS 109 0.936 11.077 -5.583 889 1HE LYS 109 1HE LYS 109 3.257 10.818 -4.946 890 2HE LYS 109 2HE LYS 109 3.713 12.212 -5.923 891 1HZ LYS 109 1HZ LYS 109 3.488 12.640 -3.484 892 2HZ LYS 109 2HZ LYS 109 1.817 12.388 -3.645 893 3HZ LYS 109 3HZ LYS 109 2.566 13.662 -4.476 894 H LEU 110 H LEU 110 -2.584 11.546 -8.771 895 HA LEU 110 HA LEU 110 -3.020 9.282 -10.401 896 1HB LEU 110 1HB LEU 110 -5.057 9.317 -9.511 897 2HB LEU 110 2HB LEU 110 -4.510 10.683 -8.569 898 HG LEU 110 HG LEU 110 -5.665 11.254 -11.249 899 1HD1 LEU 110 1HD1 LEU 110 -7.212 9.597 -10.366 900 2HD1 LEU 110 2HD1 LEU 110 -7.938 11.204 -10.318 901 3HD1 LEU 110 3HD1 LEU 110 -7.306 10.476 -8.840 902 1HD2 LEU 110 1HD2 LEU 110 -4.801 13.048 -9.811 903 2HD2 LEU 110 2HD2 LEU 110 -5.938 12.572 -8.550 904 3HD2 LEU 110 3HD2 LEU 110 -6.537 13.204 -10.084 905 H GLU 111 H GLU 111 -3.523 12.706 -10.996 906 HA GLU 111 HA GLU 111 -3.449 13.987 -12.826 907 1HB GLU 111 1HB GLU 111 -1.417 12.778 -13.374 908 2HB GLU 111 2HB GLU 111 -2.357 11.513 -14.153 909 1HG GLU 111 1HG GLU 111 -3.148 13.122 -15.794 910 2HG GLU 111 2HG GLU 111 -2.183 14.382 -15.033 911 H HIS 112 H HIS 112 -4.920 10.820 -13.331 912 HA HIS 112 HA HIS 112 -6.454 11.465 -15.583 913 1HB HIS 112 1HB HIS 112 -6.849 9.437 -13.389 914 2HB HIS 112 2HB HIS 112 -7.979 9.593 -14.724 915 HD1 HIS 112 HD1 HIS 112 -7.560 7.836 -16.405 916 HD2 HIS 112 HD2 HIS 112 -4.042 9.207 -14.669 917 HE1 HIS 112 HE1 HIS 112 -5.703 6.550 -17.526 918 H HIS 113 H HIS 113 -7.778 13.106 -15.727 919 HA HIS 113 HA HIS 113 -8.771 14.581 -13.604 920 1HB HIS 113 1HB HIS 113 -10.216 15.717 -15.273 921 2HB HIS 113 2HB HIS 113 -8.532 15.599 -15.763 922 HD1 HIS 113 HD1 HIS 113 -11.911 14.952 -16.916 923 HD2 HIS 113 HD2 HIS 113 -8.111 13.501 -17.781 924 HE1 HIS 113 HE1 HIS 113 -12.119 13.786 -19.136 925 H HIS 114 H HIS 114 -10.051 13.926 -12.117 926 HA HIS 114 HA HIS 114 -12.761 13.519 -12.352 927 1HB HIS 114 1HB HIS 114 -11.998 11.329 -13.462 928 2HB HIS 114 2HB HIS 114 -11.436 10.843 -11.866 929 HD1 HIS 114 HD1 HIS 114 -13.092 9.514 -10.587 930 HD2 HIS 114 HD2 HIS 114 -14.921 12.069 -13.320 931 HE1 HIS 114 HE1 HIS 114 -15.556 9.042 -10.423 932 H HIS 115 H HIS 115 -9.773 12.902 -10.764 933 HA HIS 115 HA HIS 115 -9.015 13.281 -8.679 934 1HB HIS 115 1HB HIS 115 -10.530 15.349 -8.971 935 2HB HIS 115 2HB HIS 115 -11.651 14.505 -7.908 936 HD1 HIS 115 HD1 HIS 115 -10.005 17.218 -7.309 937 HD2 HIS 115 HD2 HIS 115 -9.214 13.410 -5.821 938 HE1 HIS 115 HE1 HIS 115 -8.658 17.569 -5.215 939 H HIS 116 H HIS 116 -8.936 11.065 -8.224 940 HA HIS 116 HA HIS 116 -11.024 10.145 -6.371 941 1HB HIS 116 1HB HIS 116 -10.630 8.609 -8.257 942 2HB HIS 116 2HB HIS 116 -8.926 8.515 -7.827 943 HD1 HIS 116 HD1 HIS 116 -12.330 7.473 -6.591 944 HD2 HIS 116 HD2 HIS 116 -8.314 6.722 -5.817 945 HE1 HIS 116 HE1 HIS 116 -12.298 5.536 -4.993 946 H HIS 117 H HIS 117 -10.551 10.230 -4.298 947 HA HIS 117 HA HIS 117 -7.970 9.673 -3.230 948 1HB HIS 117 1HB HIS 117 -7.405 11.873 -4.039 949 2HB HIS 117 2HB HIS 117 -8.879 12.556 -3.364 950 HD1 HIS 117 HD1 HIS 117 -8.510 13.796 -1.284 951 HD2 HIS 117 HD2 HIS 117 -5.694 10.776 -1.774 952 HE1 HIS 117 HE1 HIS 117 -6.957 14.004 0.671 Start of MODEL 19 1 HA LEU 1 HA LEU 1 4.169 0.458 -0.544 2 1HB LEU 1 1HB LEU 1 2.395 2.907 -0.512 3 2HB LEU 1 2HB LEU 1 3.048 2.155 -1.953 4 HG LEU 1 HG LEU 1 1.136 0.809 -0.045 5 1HD1 LEU 1 1HD1 LEU 1 -0.533 1.149 -1.809 6 2HD1 LEU 1 2HD1 LEU 1 0.637 2.101 -2.722 7 3HD1 LEU 1 3HD1 LEU 1 0.059 2.677 -1.159 8 1HD2 LEU 1 1HD2 LEU 1 2.149 0.014 -2.773 9 2HD2 LEU 1 2HD2 LEU 1 0.901 -0.830 -1.855 10 3HD2 LEU 1 3HD2 LEU 1 2.554 -0.761 -1.241 11 H ASN 2 H ASN 2 3.856 3.908 0.267 12 HA ASN 2 HA ASN 2 5.190 5.670 -0.121 13 1HB ASN 2 1HB ASN 2 6.042 4.743 2.010 14 2HB ASN 2 2HB ASN 2 7.275 3.872 1.098 15 1HD2 ASN 2 2HD2 ASN 2 8.892 4.956 2.151 16 2HD2 ASN 2 1HD2 ASN 2 9.275 6.593 1.786 17 H ILE 3 H ILE 3 5.364 5.996 -2.263 18 HA ILE 3 HA ILE 3 6.808 4.360 -4.053 19 HB ILE 3 HB ILE 3 4.940 5.846 -4.719 20 1HG1 ILE 3 1HG1 ILE 3 7.511 6.417 -6.206 21 2HG1 ILE 3 2HG1 ILE 3 6.555 4.950 -6.378 22 1HG2 ILE 3 1HG2 ILE 3 5.358 8.229 -5.106 23 2HG2 ILE 3 2HG2 ILE 3 6.949 8.062 -4.362 24 3HG2 ILE 3 3HG2 ILE 3 5.493 7.804 -3.400 25 1HD1 ILE 3 1HD1 ILE 3 4.693 6.253 -7.248 26 2HD1 ILE 3 2HD1 ILE 3 6.155 6.512 -8.202 27 3HD1 ILE 3 3HD1 ILE 3 5.627 7.736 -7.046 28 H GLU 4 H GLU 4 7.843 6.816 -1.909 29 HA GLU 4 HA GLU 4 10.006 7.904 -3.359 30 1HB GLU 4 1HB GLU 4 8.963 8.931 -1.341 31 2HB GLU 4 2HB GLU 4 9.704 7.676 -0.358 32 1HG GLU 4 1HG GLU 4 11.929 8.458 -1.133 33 2HG GLU 4 2HG GLU 4 11.125 9.785 -1.969 34 H ARG 5 H ARG 5 9.614 4.828 -1.960 35 HA ARG 5 HA ARG 5 12.537 4.441 -1.976 36 1HB ARG 5 1HB ARG 5 10.502 3.031 -0.243 37 2HB ARG 5 2HB ARG 5 12.214 2.641 -0.316 38 1HG ARG 5 1HG ARG 5 12.727 4.919 0.492 39 2HG ARG 5 2HG ARG 5 10.993 5.210 0.659 40 1HD ARG 5 1HD ARG 5 10.866 3.276 2.195 41 2HD ARG 5 2HD ARG 5 12.620 3.114 2.090 42 HE ARG 5 HE ARG 5 11.710 5.734 2.903 43 1HH1 ARG 5 1HH1 ARG 5 12.706 2.546 3.932 44 2HH1 ARG 5 2HH1 ARG 5 13.031 3.022 5.567 45 1HH2 ARG 5 1HH2 ARG 5 12.137 6.389 5.064 46 2HH2 ARG 5 2HH2 ARG 5 12.702 5.213 6.216 47 H LEU 6 H LEU 6 10.063 4.028 -3.837 48 HA LEU 6 HA LEU 6 10.075 1.214 -4.344 49 1HB LEU 6 1HB LEU 6 8.128 2.654 -4.822 50 2HB LEU 6 2HB LEU 6 9.058 3.493 -6.049 51 HG LEU 6 HG LEU 6 9.246 1.386 -7.313 52 1HD1 LEU 6 1HD1 LEU 6 7.805 -0.500 -6.716 53 2HD1 LEU 6 2HD1 LEU 6 7.360 0.319 -5.219 54 3HD1 LEU 6 3HD1 LEU 6 9.028 -0.195 -5.483 55 1HD2 LEU 6 1HD2 LEU 6 6.437 2.252 -6.657 56 2HD2 LEU 6 2HD2 LEU 6 6.913 1.320 -8.076 57 3HD2 LEU 6 3HD2 LEU 6 7.499 2.971 -7.868 58 H THR 7 H THR 7 12.045 0.456 -4.839 59 HA THR 7 HA THR 7 13.418 1.656 -7.155 60 HB THR 7 HB THR 7 14.710 1.942 -5.096 61 HG1 THR 7 HG1 THR 7 15.693 0.117 -7.034 62 1HG2 THR 7 1HG2 THR 7 15.599 0.003 -3.883 63 2HG2 THR 7 2HG2 THR 7 14.651 -1.073 -4.912 64 3HG2 THR 7 3HG2 THR 7 13.839 0.050 -3.820 65 H THR 8 H THR 8 11.383 -0.629 -6.749 66 HA THR 8 HA THR 8 12.839 -2.545 -8.407 67 HB THR 8 HB THR 8 12.864 -3.583 -6.238 68 HG1 THR 8 HG1 THR 8 12.237 -5.444 -7.051 69 1HG2 THR 8 1HG2 THR 8 11.062 -2.322 -5.166 70 2HG2 THR 8 2HG2 THR 8 10.813 -4.058 -4.973 71 3HG2 THR 8 3HG2 THR 8 9.873 -3.158 -6.163 72 H LEU 9 H LEU 9 11.790 -3.156 -10.161 73 HA LEU 9 HA LEU 9 8.930 -2.459 -10.378 74 1HB LEU 9 1HB LEU 9 11.029 -2.682 -12.535 75 2HB LEU 9 2HB LEU 9 9.330 -2.347 -12.819 76 HG LEU 9 HG LEU 9 11.228 -0.571 -11.278 77 1HD1 LEU 9 1HD1 LEU 9 11.721 -0.611 -13.660 78 2HD1 LEU 9 2HD1 LEU 9 11.015 0.932 -13.184 79 3HD1 LEU 9 3HD1 LEU 9 10.031 -0.265 -14.026 80 1HD2 LEU 9 1HD2 LEU 9 8.922 -0.423 -10.464 81 2HD2 LEU 9 2HD2 LEU 9 8.358 -0.123 -12.109 82 3HD2 LEU 9 3HD2 LEU 9 9.405 1.048 -11.307 83 H GLN 10 H GLN 10 10.327 -4.926 -9.396 84 HA GLN 10 HA GLN 10 10.191 -7.042 -11.175 85 1HB GLN 10 1HB GLN 10 10.954 -6.859 -8.644 86 2HB GLN 10 2HB GLN 10 9.339 -7.474 -8.343 87 1HG GLN 10 1HG GLN 10 11.429 -8.817 -10.042 88 2HG GLN 10 2HG GLN 10 11.042 -9.235 -8.378 89 1HE2 GLN 10 2HE2 GLN 10 10.114 -9.479 -11.685 90 2HE2 GLN 10 1HE2 GLN 10 8.793 -10.573 -11.451 91 HA PRO 11 HA PRO 11 5.513 -7.789 -9.740 92 1HB PRO 11 1HB PRO 11 4.813 -4.949 -9.179 93 2HB PRO 11 2HB PRO 11 4.246 -6.425 -8.391 94 1HG PRO 11 1HG PRO 11 6.012 -4.853 -7.182 95 2HG PRO 11 2HG PRO 11 6.159 -6.621 -7.085 96 1HD PRO 11 1HD PRO 11 7.690 -4.672 -8.760 97 2HD PRO 11 2HD PRO 11 8.262 -6.122 -7.911 98 H VAL 12 H VAL 12 6.719 -4.955 -11.409 99 HA VAL 12 HA VAL 12 4.497 -4.803 -13.245 100 HB VAL 12 HB VAL 12 7.220 -3.492 -13.437 101 1HG1 VAL 12 1HG1 VAL 12 6.071 -3.615 -15.588 102 2HG1 VAL 12 2HG1 VAL 12 6.132 -1.953 -15.001 103 3HG1 VAL 12 3HG1 VAL 12 4.636 -2.879 -14.872 104 1HG2 VAL 12 1HG2 VAL 12 6.124 -1.494 -12.556 105 2HG2 VAL 12 2HG2 VAL 12 6.032 -2.829 -11.406 106 3HG2 VAL 12 3HG2 VAL 12 4.621 -2.395 -12.371 107 H TRP 13 H TRP 13 7.919 -5.776 -13.445 108 HA TRP 13 HA TRP 13 7.874 -6.706 -16.086 109 1HB TRP 13 1HB TRP 13 9.581 -7.484 -13.724 110 2HB TRP 13 2HB TRP 13 9.811 -8.185 -15.322 111 HD1 TRP 13 HD1 TRP 13 11.513 -5.844 -13.388 112 HE1 TRP 13 HE1 TRP 13 12.574 -3.949 -14.763 113 HE3 TRP 13 HE3 TRP 13 8.814 -6.363 -17.698 114 HZ2 TRP 13 HZ2 TRP 13 12.301 -2.824 -17.352 115 HZ3 TRP 13 HZ3 TRP 13 9.270 -4.831 -19.568 116 HH2 TRP 13 HH2 TRP 13 10.976 -3.098 -19.386 117 H ASP 14 H ASP 14 7.151 -8.324 -13.049 118 HA ASP 14 HA ASP 14 6.846 -10.933 -13.973 119 1HB ASP 14 1HB ASP 14 6.868 -10.265 -11.589 120 2HB ASP 14 2HB ASP 14 5.276 -9.545 -11.788 121 H ARG 15 H ARG 15 4.438 -8.338 -13.717 122 HA ARG 15 HA ARG 15 2.296 -9.881 -14.800 123 1HB ARG 15 1HB ARG 15 2.027 -7.881 -13.317 124 2HB ARG 15 2HB ARG 15 2.583 -6.869 -14.641 125 1HG ARG 15 1HG ARG 15 0.649 -7.785 -15.983 126 2HG ARG 15 2HG ARG 15 0.049 -8.464 -14.469 127 1HD ARG 15 1HD ARG 15 0.013 -6.220 -13.483 128 2HD ARG 15 2HD ARG 15 0.616 -5.547 -14.996 129 HE ARG 15 HE ARG 15 -2.073 -6.143 -14.379 130 1HH1 ARG 15 1HH1 ARG 15 0.209 -6.265 -17.027 131 2HH1 ARG 15 2HH1 ARG 15 -1.008 -6.242 -18.258 132 1HH2 ARG 15 1HH2 ARG 15 -3.686 -6.068 -15.998 133 2HH2 ARG 15 2HH2 ARG 15 -3.221 -6.077 -17.680 134 H TYR 16 H TYR 16 4.761 -7.787 -16.134 135 HA TYR 16 HA TYR 16 3.642 -7.452 -18.718 136 1HB TYR 16 1HB TYR 16 5.372 -5.975 -17.841 137 2HB TYR 16 2HB TYR 16 6.507 -7.315 -17.759 138 HD1 TYR 16 HD1 TYR 16 8.018 -7.575 -19.478 139 HD2 TYR 16 HD2 TYR 16 4.378 -5.519 -20.249 140 HE1 TYR 16 HE1 TYR 16 8.812 -7.034 -21.737 141 HE2 TYR 16 HE2 TYR 16 5.159 -4.971 -22.517 142 HH TYR 16 HH TYR 16 7.193 -4.780 -23.773 143 H ASP 17 H ASP 17 6.146 -9.661 -17.494 144 HA ASP 17 HA ASP 17 6.548 -10.971 -19.960 145 1HB ASP 17 1HB ASP 17 8.208 -11.046 -18.160 146 2HB ASP 17 2HB ASP 17 7.090 -11.966 -17.157 147 H THR 18 H THR 18 4.327 -11.572 -17.290 148 HA THR 18 HA THR 18 3.550 -14.161 -18.157 149 HB THR 18 HB THR 18 1.486 -13.654 -16.667 150 HG1 THR 18 HG1 THR 18 3.164 -11.606 -15.668 151 1HG2 THR 18 1HG2 THR 18 2.836 -14.020 -14.624 152 2HG2 THR 18 2HG2 THR 18 4.291 -13.680 -15.559 153 3HG2 THR 18 3HG2 THR 18 3.302 -15.085 -15.950 154 H GLN 19 H GLN 19 2.805 -11.075 -19.378 155 HA GLN 19 HA GLN 19 0.510 -12.136 -20.847 156 1HB GLN 19 1HB GLN 19 1.702 -9.386 -20.635 157 2HB GLN 19 2HB GLN 19 0.565 -9.793 -21.909 158 1HG GLN 19 1HG GLN 19 -1.039 -10.479 -20.096 159 2HG GLN 19 2HG GLN 19 0.084 -9.742 -18.950 160 1HE2 GLN 19 2HE2 GLN 19 -2.119 -9.164 -21.577 161 2HE2 GLN 19 1HE2 GLN 19 -2.227 -7.447 -21.390 162 H ILE 20 H ILE 20 3.638 -10.661 -21.407 163 HA ILE 20 HA ILE 20 3.662 -10.796 -24.185 164 HB ILE 20 HB ILE 20 5.800 -10.613 -22.101 165 1HG1 ILE 20 1HG1 ILE 20 4.394 -8.669 -22.321 166 2HG1 ILE 20 2HG1 ILE 20 5.981 -8.294 -22.985 167 1HG2 ILE 20 1HG2 ILE 20 6.239 -10.424 -25.082 168 2HG2 ILE 20 2HG2 ILE 20 6.827 -11.712 -24.031 169 3HG2 ILE 20 3HG2 ILE 20 7.435 -10.068 -23.834 170 1HD1 ILE 20 1HD1 ILE 20 4.207 -7.383 -24.362 171 2HD1 ILE 20 2HD1 ILE 20 3.519 -8.993 -24.569 172 3HD1 ILE 20 3HD1 ILE 20 5.107 -8.618 -25.240 173 H HIS 21 H HIS 21 4.536 -13.251 -21.813 174 HA HIS 21 HA HIS 21 5.962 -14.861 -23.714 175 1HB HIS 21 1HB HIS 21 6.365 -16.371 -21.970 176 2HB HIS 21 2HB HIS 21 6.301 -14.812 -21.172 177 HD1 HIS 21 HD1 HIS 21 5.633 -17.870 -20.114 178 HD2 HIS 21 HD2 HIS 21 3.020 -14.689 -20.718 179 HE1 HIS 21 HE1 HIS 21 3.657 -18.320 -18.625 180 H ASN 22 H ASN 22 2.778 -14.218 -23.598 181 HA ASN 22 HA ASN 22 2.095 -16.889 -24.625 182 1HB ASN 22 1HB ASN 22 1.119 -16.736 -22.413 183 2HB ASN 22 2HB ASN 22 0.404 -15.175 -22.795 184 1HD2 ASN 22 2HD2 ASN 22 -1.487 -15.083 -23.929 185 2HD2 ASN 22 1HD2 ASN 22 -2.406 -16.486 -24.368 186 H GLN 23 H GLN 23 1.761 -16.648 -26.721 187 HA GLN 23 HA GLN 23 -0.048 -14.476 -27.564 188 1HB GLN 23 1HB GLN 23 2.152 -15.886 -29.077 189 2HB GLN 23 2HB GLN 23 0.895 -14.962 -29.889 190 1HG GLN 23 1HG GLN 23 1.566 -12.966 -28.619 191 2HG GLN 23 2HG GLN 23 2.855 -13.902 -27.866 192 1HE2 GLN 23 2HE2 GLN 23 4.656 -14.436 -29.034 193 2HE2 GLN 23 1HE2 GLN 23 5.025 -13.738 -30.575 194 H LYS 24 H LYS 24 -0.346 -17.347 -26.508 195 HA LYS 24 HA LYS 24 -1.910 -18.518 -28.680 196 1HB LYS 24 1HB LYS 24 -1.255 -19.596 -25.927 197 2HB LYS 24 2HB LYS 24 -2.111 -20.472 -27.186 198 1HG LYS 24 1HG LYS 24 -0.147 -20.486 -28.577 199 2HG LYS 24 2HG LYS 24 0.719 -19.474 -27.422 200 1HD LYS 24 1HD LYS 24 0.521 -21.241 -25.734 201 2HD LYS 24 2HD LYS 24 -0.319 -22.257 -26.906 202 1HE LYS 24 1HE LYS 24 2.468 -21.180 -27.283 203 2HE LYS 24 2HE LYS 24 2.107 -22.775 -26.635 204 1HZ LYS 24 1HZ LYS 24 0.969 -23.305 -28.720 205 2HZ LYS 24 2HZ LYS 24 2.601 -22.916 -28.972 206 3HZ LYS 24 3HZ LYS 24 1.395 -21.783 -29.346 207 H ASP 25 H ASP 25 -3.750 -17.284 -28.791 208 HA ASP 25 HA ASP 25 -5.744 -17.695 -26.775 209 1HB ASP 25 1HB ASP 25 -4.403 -15.764 -25.843 210 2HB ASP 25 2HB ASP 25 -4.867 -14.832 -27.263 211 H ASN 26 H ASN 26 -7.837 -16.640 -27.452 212 HA ASN 26 HA ASN 26 -8.265 -17.021 -30.241 213 1HB ASN 26 1HB ASN 26 -9.979 -17.423 -28.445 214 2HB ASN 26 2HB ASN 26 -10.115 -15.677 -28.258 215 1HD2 ASN 26 2HD2 ASN 26 -11.186 -14.487 -29.816 216 2HD2 ASN 26 1HD2 ASN 26 -12.116 -15.213 -31.076 217 H ASP 27 H ASP 27 -7.558 -14.315 -28.209 218 HA ASP 27 HA ASP 27 -6.990 -12.169 -28.615 219 1HB ASP 27 1HB ASP 27 -5.582 -13.028 -30.415 220 2HB ASP 27 2HB ASP 27 -6.945 -12.996 -31.525 221 H ASN 28 H ASN 28 -8.912 -11.467 -27.795 222 HA ASN 28 HA ASN 28 -10.804 -10.442 -29.809 223 1HB ASN 28 1HB ASN 28 -11.789 -12.409 -28.707 224 2HB ASN 28 2HB ASN 28 -11.530 -11.661 -27.136 225 1HD2 ASN 28 2HD2 ASN 28 -13.448 -11.678 -30.023 226 2HD2 ASN 28 1HD2 ASN 28 -14.698 -10.628 -29.441 227 H GLU 29 H GLU 29 -9.721 -10.175 -26.423 228 HA GLU 29 HA GLU 29 -10.563 -7.375 -26.396 229 1HB GLU 29 1HB GLU 29 -9.633 -9.208 -24.185 230 2HB GLU 29 2HB GLU 29 -9.944 -7.495 -23.957 231 1HG GLU 29 1HG GLU 29 -12.282 -7.894 -24.729 232 2HG GLU 29 2HG GLU 29 -11.926 -9.622 -24.725 233 H VAL 30 H VAL 30 -8.711 -7.234 -28.056 234 HA VAL 30 HA VAL 30 -6.112 -6.949 -26.766 235 HB VAL 30 HB VAL 30 -6.071 -8.033 -28.911 236 1HG1 VAL 30 1HG1 VAL 30 -7.331 -5.536 -30.027 237 2HG1 VAL 30 2HG1 VAL 30 -8.084 -7.126 -29.903 238 3HG1 VAL 30 3HG1 VAL 30 -6.711 -6.881 -30.983 239 1HG2 VAL 30 1HG2 VAL 30 -4.916 -5.257 -29.083 240 2HG2 VAL 30 2HG2 VAL 30 -4.465 -6.610 -30.119 241 3HG2 VAL 30 3HG2 VAL 30 -4.140 -6.680 -28.387 242 HA PRO 31 HA PRO 31 -6.824 -2.599 -26.200 243 1HB PRO 31 1HB PRO 31 -4.394 -2.012 -25.163 244 2HB PRO 31 2HB PRO 31 -5.652 -2.836 -24.238 245 1HG PRO 31 1HG PRO 31 -3.226 -3.957 -25.558 246 2HG PRO 31 2HG PRO 31 -3.989 -4.418 -24.028 247 1HD PRO 31 1HD PRO 31 -4.283 -5.789 -26.404 248 2HD PRO 31 2HD PRO 31 -5.428 -5.862 -25.053 249 H VAL 32 H VAL 32 -6.876 -1.391 -27.997 250 HA VAL 32 HA VAL 32 -4.566 -1.431 -29.797 251 HB VAL 32 HB VAL 32 -7.355 -0.413 -30.342 252 1HG1 VAL 32 1HG1 VAL 32 -5.061 -0.974 -32.223 253 2HG1 VAL 32 2HG1 VAL 32 -5.656 0.619 -31.758 254 3HG1 VAL 32 3HG1 VAL 32 -6.682 -0.466 -32.695 255 1HG2 VAL 32 1HG2 VAL 32 -7.661 -2.469 -31.650 256 2HG2 VAL 32 2HG2 VAL 32 -7.390 -2.813 -29.942 257 3HG2 VAL 32 3HG2 VAL 32 -6.086 -3.044 -31.105 258 H HIS 33 H HIS 33 -6.992 0.920 -28.772 259 HA HIS 33 HA HIS 33 -6.886 3.125 -28.238 260 1HB HIS 33 1HB HIS 33 -4.262 2.145 -27.493 261 2HB HIS 33 2HB HIS 33 -4.191 3.816 -28.038 262 HD1 HIS 33 HD1 HIS 33 -4.563 5.461 -26.245 263 HD2 HIS 33 HD2 HIS 33 -6.449 1.842 -25.457 264 HE1 HIS 33 HE1 HIS 33 -5.575 5.711 -23.956 265 H GLN 34 H GLN 34 -5.698 1.835 -30.999 266 HA GLN 34 HA GLN 34 -4.828 2.541 -32.970 267 1HB GLN 34 1HB GLN 34 -7.056 3.682 -32.998 268 2HB GLN 34 2HB GLN 34 -6.282 5.114 -32.333 269 1HG GLN 34 1HG GLN 34 -4.864 5.269 -34.318 270 2HG GLN 34 2HG GLN 34 -5.646 3.837 -34.984 271 1HE2 GLN 34 2HE2 GLN 34 -7.748 3.977 -35.748 272 2HE2 GLN 34 1HE2 GLN 34 -8.507 5.500 -36.080 273 H VAL 35 H VAL 35 -2.761 2.441 -31.941 274 HA VAL 35 HA VAL 35 -1.543 4.471 -30.504 275 HB VAL 35 HB VAL 35 -0.156 2.453 -32.264 276 1HG1 VAL 35 1HG1 VAL 35 1.324 4.257 -31.608 277 2HG1 VAL 35 2HG1 VAL 35 1.747 2.779 -30.744 278 3HG1 VAL 35 3HG1 VAL 35 0.851 4.057 -29.922 279 1HG2 VAL 35 1HG2 VAL 35 -0.953 2.294 -29.362 280 2HG2 VAL 35 2HG2 VAL 35 0.026 1.103 -30.222 281 3HG2 VAL 35 3HG2 VAL 35 -1.654 1.366 -30.689 282 H SER 36 H SER 36 -0.843 6.320 -31.013 283 HA SER 36 HA SER 36 -0.485 7.042 -33.828 284 1HB SER 36 1HB SER 36 -2.216 8.199 -31.671 285 2HB SER 36 2HB SER 36 -1.677 9.227 -33.000 286 HG SER 36 HG SER 36 -3.364 6.967 -33.014 287 H TYR 37 H TYR 37 0.754 9.069 -34.091 288 HA TYR 37 HA TYR 37 3.123 9.152 -32.627 289 1HB TYR 37 1HB TYR 37 2.979 10.160 -34.830 290 2HB TYR 37 2HB TYR 37 1.775 11.314 -34.267 291 HD1 TYR 37 HD1 TYR 37 5.342 10.325 -33.890 292 HD2 TYR 37 HD2 TYR 37 2.423 13.372 -33.341 293 HE1 TYR 37 HE1 TYR 37 7.123 11.929 -33.338 294 HE2 TYR 37 HE2 TYR 37 4.196 14.982 -32.792 295 HH TYR 37 HH TYR 37 6.483 14.975 -31.942 296 H THR 38 H THR 38 0.187 11.086 -32.329 297 HA THR 38 HA THR 38 0.990 12.690 -30.167 298 HB THR 38 HB THR 38 -1.832 11.748 -30.682 299 HG1 THR 38 HG1 THR 38 -0.396 13.865 -31.974 300 1HG2 THR 38 1HG2 THR 38 -2.404 14.001 -29.875 301 2HG2 THR 38 2HG2 THR 38 -0.693 14.331 -29.605 302 3HG2 THR 38 3HG2 THR 38 -1.510 13.081 -28.663 303 H ASN 39 H ASN 39 -0.389 9.455 -30.330 304 HA ASN 39 HA ASN 39 -1.206 9.274 -27.635 305 1HB ASN 39 1HB ASN 39 -1.375 7.649 -29.934 306 2HB ASN 39 2HB ASN 39 -0.508 6.680 -28.745 307 1HD2 ASN 39 2HD2 ASN 39 -2.931 9.141 -28.141 308 2HD2 ASN 39 1HD2 ASN 39 -4.100 8.086 -27.442 309 H LEU 40 H LEU 40 1.681 8.071 -29.319 310 HA LEU 40 HA LEU 40 2.825 6.937 -26.999 311 1HB LEU 40 1HB LEU 40 3.972 7.712 -29.666 312 2HB LEU 40 2HB LEU 40 4.960 7.016 -28.394 313 HG LEU 40 HG LEU 40 2.508 5.664 -29.519 314 1HD1 LEU 40 1HD1 LEU 40 5.407 5.210 -30.190 315 2HD1 LEU 40 2HD1 LEU 40 4.193 5.910 -31.259 316 3HD1 LEU 40 3HD1 LEU 40 4.047 4.230 -30.742 317 1HD2 LEU 40 1HD2 LEU 40 3.451 3.685 -28.431 318 2HD2 LEU 40 2HD2 LEU 40 3.120 4.967 -27.266 319 3HD2 LEU 40 3HD2 LEU 40 4.774 4.666 -27.801 320 H ALA 41 H ALA 41 3.441 10.047 -28.644 321 HA ALA 41 HA ALA 41 5.459 10.966 -26.951 322 1HB ALA 41 1HB ALA 41 3.335 12.578 -28.361 323 2HB ALA 41 2HB ALA 41 4.881 12.074 -29.042 324 3HB ALA 41 3HB ALA 41 4.841 13.217 -27.700 325 H GLU 42 H GLU 42 1.951 11.319 -26.684 326 HA GLU 42 HA GLU 42 1.925 12.865 -24.328 327 1HB GLU 42 1HB GLU 42 -0.041 11.269 -25.881 328 2HB GLU 42 2HB GLU 42 -0.488 11.704 -24.241 329 1HG GLU 42 1HG GLU 42 0.323 13.608 -26.427 330 2HG GLU 42 2HG GLU 42 -1.322 13.313 -25.865 331 H MET 43 H MET 43 1.482 9.375 -24.828 332 HA MET 43 HA MET 43 1.016 8.899 -22.053 333 1HB MET 43 1HB MET 43 1.417 7.073 -24.411 334 2HB MET 43 2HB MET 43 1.141 6.470 -22.780 335 1HG MET 43 1HG MET 43 -1.024 7.250 -22.705 336 2HG MET 43 2HG MET 43 -0.732 8.481 -23.929 337 1HE MET 43 1HE MET 43 0.136 4.641 -24.006 338 2HE MET 43 2HE MET 43 -1.241 3.990 -24.892 339 3HE MET 43 3HE MET 43 -1.466 4.656 -23.274 340 H VAL 44 H VAL 44 3.877 8.694 -24.110 341 HA VAL 44 HA VAL 44 5.493 7.412 -22.134 342 HB VAL 44 HB VAL 44 6.261 9.125 -24.510 343 1HG1 VAL 44 1HG1 VAL 44 8.058 7.494 -22.712 344 2HG1 VAL 44 2HG1 VAL 44 8.017 9.254 -22.811 345 3HG1 VAL 44 3HG1 VAL 44 8.546 8.306 -24.200 346 1HG2 VAL 44 1HG2 VAL 44 6.390 6.146 -24.052 347 2HG2 VAL 44 2HG2 VAL 44 6.923 6.996 -25.504 348 3HG2 VAL 44 3HG2 VAL 44 5.216 6.990 -25.062 349 H GLY 45 H GLY 45 4.654 10.732 -22.888 350 1HA GLY 45 1HA GLY 45 6.472 12.046 -21.204 351 2HA GLY 45 2HA GLY 45 4.907 12.676 -21.698 352 H GLU 46 H GLU 46 3.167 10.888 -20.549 353 HA GLU 46 HA GLU 46 3.230 11.782 -17.833 354 1HB GLU 46 1HB GLU 46 1.100 10.629 -17.593 355 2HB GLU 46 2HB GLU 46 1.127 11.592 -19.060 356 1HG GLU 46 1HG GLU 46 1.692 9.456 -20.298 357 2HG GLU 46 2HG GLU 46 1.315 8.605 -18.802 358 H MET 47 H MET 47 4.277 8.951 -19.469 359 HA MET 47 HA MET 47 4.289 7.126 -17.320 360 1HB MET 47 1HB MET 47 4.959 7.025 -19.988 361 2HB MET 47 2HB MET 47 6.528 6.887 -19.205 362 1HG MET 47 1HG MET 47 5.603 4.702 -19.630 363 2HG MET 47 2HG MET 47 5.710 4.996 -17.893 364 1HE MET 47 1HE MET 47 3.921 2.723 -19.362 365 2HE MET 47 2HE MET 47 2.471 2.789 -18.362 366 3HE MET 47 3HE MET 47 4.062 2.885 -17.610 367 H ASN 48 H ASN 48 6.504 9.634 -18.362 368 HA ASN 48 HA ASN 48 8.629 8.939 -16.614 369 1HB ASN 48 1HB ASN 48 7.932 11.434 -18.139 370 2HB ASN 48 2HB ASN 48 9.272 11.425 -16.996 371 1HD2 ASN 48 2HD2 ASN 48 8.092 10.266 -20.046 372 2HD2 ASN 48 1HD2 ASN 48 9.602 9.645 -20.614 373 H LYS 49 H LYS 49 5.680 10.720 -16.206 374 HA LYS 49 HA LYS 49 6.353 12.117 -13.829 375 1HB LYS 49 1HB LYS 49 3.661 11.144 -14.807 376 2HB LYS 49 2HB LYS 49 3.902 12.261 -13.474 377 1HG LYS 49 1HG LYS 49 4.850 13.903 -15.011 378 2HG LYS 49 2HG LYS 49 4.636 12.771 -16.353 379 1HD LYS 49 1HD LYS 49 2.238 12.780 -16.021 380 2HD LYS 49 2HD LYS 49 2.410 13.809 -14.599 381 1HE LYS 49 1HE LYS 49 3.315 15.596 -16.010 382 2HE LYS 49 2HE LYS 49 3.126 14.567 -17.432 383 1HZ LYS 49 1HZ LYS 49 1.291 16.167 -17.133 384 2HZ LYS 49 2HZ LYS 49 0.889 15.417 -15.664 385 3HZ LYS 49 3HZ LYS 49 0.761 14.557 -17.122 386 H LEU 50 H LEU 50 5.184 8.899 -14.517 387 HA LEU 50 HA LEU 50 4.157 8.288 -11.973 388 1HB LEU 50 1HB LEU 50 5.141 6.458 -14.153 389 2HB LEU 50 2HB LEU 50 4.213 5.944 -12.759 390 HG LEU 50 HG LEU 50 3.249 7.823 -14.914 391 1HD1 LEU 50 1HD1 LEU 50 1.760 5.990 -15.528 392 2HD1 LEU 50 2HD1 LEU 50 2.511 4.966 -14.302 393 3HD1 LEU 50 3HD1 LEU 50 3.453 5.522 -15.686 394 1HD2 LEU 50 1HD2 LEU 50 2.257 8.375 -12.769 395 2HD2 LEU 50 2HD2 LEU 50 1.830 6.684 -12.506 396 3HD2 LEU 50 3HD2 LEU 50 1.062 7.593 -13.808 397 H LEU 51 H LEU 51 7.410 8.016 -13.284 398 HA LEU 51 HA LEU 51 8.170 6.515 -10.868 399 1HB LEU 51 1HB LEU 51 9.464 6.535 -13.591 400 2HB LEU 51 2HB LEU 51 10.174 5.778 -12.177 401 HG LEU 51 HG LEU 51 7.944 4.445 -12.072 402 1HD1 LEU 51 1HD1 LEU 51 7.948 5.294 -14.962 403 2HD1 LEU 51 2HD1 LEU 51 6.748 5.735 -13.748 404 3HD1 LEU 51 3HD1 LEU 51 6.919 4.052 -14.248 405 1HD2 LEU 51 1HD2 LEU 51 8.866 2.736 -13.550 406 2HD2 LEU 51 2HD2 LEU 51 10.116 3.454 -12.531 407 3HD2 LEU 51 3HD2 LEU 51 9.983 3.920 -14.228 408 H GLU 52 H GLU 52 8.177 9.543 -11.951 409 HA GLU 52 HA GLU 52 10.761 10.487 -11.500 410 1HB GLU 52 1HB GLU 52 8.373 11.530 -12.281 411 2HB GLU 52 2HB GLU 52 8.540 12.224 -10.674 412 1HG GLU 52 1HG GLU 52 10.705 12.375 -12.737 413 2HG GLU 52 2HG GLU 52 9.417 13.561 -12.606 414 HA PRO 53 HA PRO 53 9.629 11.201 -6.919 415 1HB PRO 53 1HB PRO 53 7.314 10.351 -5.872 416 2HB PRO 53 2HB PRO 53 7.420 11.858 -6.788 417 1HG PRO 53 1HG PRO 53 6.419 9.180 -7.652 418 2HG PRO 53 2HG PRO 53 5.763 10.790 -8.002 419 1HD PRO 53 1HD PRO 53 7.339 9.334 -9.731 420 2HD PRO 53 2HD PRO 53 7.161 11.098 -9.773 421 H SER 54 H SER 54 10.242 8.519 -8.349 422 HA SER 54 HA SER 54 10.205 6.874 -5.906 423 1HB SER 54 1HB SER 54 10.162 4.873 -7.331 424 2HB SER 54 2HB SER 54 8.764 5.901 -7.645 425 HG SER 54 HG SER 54 10.194 6.788 -9.409 426 H GLN 55 H GLN 55 11.992 5.025 -6.225 427 HA GLN 55 HA GLN 55 14.476 6.475 -6.298 428 1HB GLN 55 1HB GLN 55 13.868 3.560 -5.808 429 2HB GLN 55 2HB GLN 55 15.479 4.253 -5.717 430 1HG GLN 55 1HG GLN 55 13.149 5.097 -4.013 431 2HG GLN 55 2HG GLN 55 14.396 3.951 -3.524 432 1HE2 GLN 55 2HE2 GLN 55 15.100 5.196 -1.824 433 2HE2 GLN 55 1HE2 GLN 55 15.961 6.678 -2.042 434 H VAL 56 H VAL 56 12.811 4.178 -8.366 435 HA VAL 56 HA VAL 56 15.029 3.384 -9.894 436 HB VAL 56 HB VAL 56 13.315 2.784 -11.674 437 1HG1 VAL 56 1HG1 VAL 56 12.921 1.702 -8.889 438 2HG1 VAL 56 2HG1 VAL 56 14.169 1.195 -10.026 439 3HG1 VAL 56 3HG1 VAL 56 12.470 0.893 -10.390 440 1HG2 VAL 56 1HG2 VAL 56 10.973 2.761 -10.967 441 2HG2 VAL 56 2HG2 VAL 56 11.596 4.407 -11.080 442 3HG2 VAL 56 3HG2 VAL 56 11.407 3.641 -9.502 443 H HIS 57 H HIS 57 12.814 6.110 -10.250 444 HA HIS 57 HA HIS 57 12.870 7.984 -11.556 445 1HB HIS 57 1HB HIS 57 15.653 7.411 -10.772 446 2HB HIS 57 2HB HIS 57 15.472 8.524 -12.120 447 HD1 HIS 57 HD1 HIS 57 13.994 10.698 -11.624 448 HD2 HIS 57 HD2 HIS 57 15.251 8.527 -8.304 449 HE1 HIS 57 HE1 HIS 57 13.756 12.258 -9.664 450 H LEU 58 H LEU 58 12.456 5.621 -13.055 451 HA LEU 58 HA LEU 58 14.213 5.072 -15.106 452 1HB LEU 58 1HB LEU 58 11.531 4.389 -14.416 453 2HB LEU 58 2HB LEU 58 11.604 4.718 -16.136 454 HG LEU 58 HG LEU 58 13.417 3.065 -16.365 455 1HD1 LEU 58 1HD1 LEU 58 12.875 2.472 -13.460 456 2HD1 LEU 58 2HD1 LEU 58 14.325 3.253 -14.090 457 3HD1 LEU 58 3HD1 LEU 58 13.963 1.583 -14.525 458 1HD2 LEU 58 1HD2 LEU 58 12.039 1.090 -16.037 459 2HD2 LEU 58 2HD2 LEU 58 11.088 2.417 -16.708 460 3HD2 LEU 58 3HD2 LEU 58 10.951 2.009 -14.998 461 H LYS 59 H LYS 59 14.651 5.811 -17.047 462 HA LYS 59 HA LYS 59 13.425 8.327 -17.916 463 1HB LYS 59 1HB LYS 59 15.939 6.900 -18.775 464 2HB LYS 59 2HB LYS 59 15.356 8.395 -19.489 465 1HG LYS 59 1HG LYS 59 15.563 9.493 -17.297 466 2HG LYS 59 2HG LYS 59 16.221 7.992 -16.634 467 1HD LYS 59 1HD LYS 59 18.147 8.117 -17.960 468 2HD LYS 59 2HD LYS 59 17.434 9.316 -19.041 469 1HE LYS 59 1HE LYS 59 18.677 10.733 -17.821 470 2HE LYS 59 2HE LYS 59 17.310 10.654 -16.725 471 1HZ LYS 59 1HZ LYS 59 19.580 10.350 -15.719 472 2HZ LYS 59 2HZ LYS 59 19.628 8.830 -16.468 473 3HZ LYS 59 3HZ LYS 59 18.425 9.176 -15.321 474 H PHE 60 H PHE 60 11.982 8.288 -19.543 475 HA PHE 60 HA PHE 60 11.926 5.915 -21.295 476 1HB PHE 60 1HB PHE 60 9.656 7.786 -20.568 477 2HB PHE 60 2HB PHE 60 9.532 6.406 -21.652 478 HD1 PHE 60 HD1 PHE 60 9.584 7.525 -18.222 479 HD2 PHE 60 HD2 PHE 60 9.760 4.114 -20.755 480 HE1 PHE 60 HE1 PHE 60 9.038 6.082 -16.309 481 HE2 PHE 60 HE2 PHE 60 9.207 2.662 -18.847 482 HZ PHE 60 HZ PHE 60 8.847 3.646 -16.622 483 H GLU 61 H GLU 61 12.694 6.311 -23.286 484 HA GLU 61 HA GLU 61 12.297 9.018 -24.380 485 1HB GLU 61 1HB GLU 61 14.705 7.504 -24.020 486 2HB GLU 61 2HB GLU 61 14.436 7.758 -25.739 487 1HG GLU 61 1HG GLU 61 14.509 9.916 -23.642 488 2HG GLU 61 2HG GLU 61 15.817 9.513 -24.752 489 H LEU 62 H LEU 62 11.458 9.211 -26.379 490 HA LEU 62 HA LEU 62 10.467 6.796 -27.670 491 1HB LEU 62 1HB LEU 62 8.973 8.742 -27.364 492 2HB LEU 62 2HB LEU 62 10.051 9.715 -28.345 493 HG LEU 62 HG LEU 62 9.579 8.188 -30.278 494 1HD1 LEU 62 1HD1 LEU 62 8.879 6.229 -28.996 495 2HD1 LEU 62 2HD1 LEU 62 7.629 6.729 -30.139 496 3HD1 LEU 62 3HD1 LEU 62 7.460 7.107 -28.424 497 1HD2 LEU 62 1HD2 LEU 62 7.359 9.111 -30.731 498 2HD2 LEU 62 2HD2 LEU 62 8.426 10.329 -30.033 499 3HD2 LEU 62 3HD2 LEU 62 7.194 9.558 -29.033 500 H HIS 63 H HIS 63 11.705 5.814 -29.143 501 HA HIS 63 HA HIS 63 13.411 7.516 -30.834 502 1HB HIS 63 1HB HIS 63 14.159 5.088 -29.291 503 2HB HIS 63 2HB HIS 63 14.864 5.281 -30.895 504 HD1 HIS 63 HD1 HIS 63 16.957 6.599 -30.960 505 HD2 HIS 63 HD2 HIS 63 14.624 7.563 -27.653 506 HE1 HIS 63 HE1 HIS 63 18.294 8.281 -29.652 507 H ASP 64 H ASP 64 13.496 7.077 -32.945 508 HA ASP 64 HA ASP 64 11.269 5.436 -33.887 509 1HB ASP 64 1HB ASP 64 11.274 6.873 -35.838 510 2HB ASP 64 2HB ASP 64 11.286 7.866 -34.388 511 H LYS 65 H LYS 65 11.651 4.897 -36.331 512 HA LYS 65 HA LYS 65 14.264 3.969 -37.050 513 1HB LYS 65 1HB LYS 65 13.780 1.601 -37.089 514 2HB LYS 65 2HB LYS 65 13.428 2.181 -35.468 515 1HG LYS 65 1HG LYS 65 11.020 2.275 -36.083 516 2HG LYS 65 2HG LYS 65 11.436 1.590 -37.643 517 1HD LYS 65 1HD LYS 65 12.114 0.220 -35.058 518 2HD LYS 65 2HD LYS 65 10.584 -0.034 -35.900 519 1HE LYS 65 1HE LYS 65 12.016 -0.582 -37.948 520 2HE LYS 65 2HE LYS 65 13.364 -0.697 -36.818 521 1HZ LYS 65 1HZ LYS 65 12.201 -2.419 -35.616 522 2HZ LYS 65 2HZ LYS 65 12.331 -2.850 -37.251 523 3HZ LYS 65 3HZ LYS 65 10.852 -2.279 -36.639 524 H LEU 66 H LEU 66 13.064 1.959 -38.855 525 HA LEU 66 HA LEU 66 12.273 3.159 -41.128 526 1HB LEU 66 1HB LEU 66 11.195 0.665 -39.838 527 2HB LEU 66 2HB LEU 66 10.786 1.134 -41.468 528 HG LEU 66 HG LEU 66 13.566 0.518 -40.466 529 1HD1 LEU 66 1HD1 LEU 66 11.751 -1.053 -42.293 530 2HD1 LEU 66 2HD1 LEU 66 12.116 -1.456 -40.615 531 3HD1 LEU 66 3HD1 LEU 66 13.397 -1.485 -41.826 532 1HD2 LEU 66 1HD2 LEU 66 14.189 0.618 -42.842 533 2HD2 LEU 66 2HD2 LEU 66 13.617 2.171 -42.238 534 3HD2 LEU 66 3HD2 LEU 66 12.560 1.172 -43.234 535 H ASN 67 H ASN 67 9.799 1.884 -38.877 536 HA ASN 67 HA ASN 67 8.156 4.262 -39.436 537 1HB ASN 67 1HB ASN 67 7.547 2.226 -40.861 538 2HB ASN 67 2HB ASN 67 7.006 1.470 -39.368 539 1HD2 ASN 67 2HD2 ASN 67 5.539 2.205 -41.787 540 2HD2 ASN 67 1HD2 ASN 67 4.265 3.276 -41.281 541 H GLU 68 H GLU 68 8.995 1.606 -37.314 542 HA GLU 68 HA GLU 68 6.988 2.241 -35.352 543 1HB GLU 68 1HB GLU 68 9.373 0.413 -35.125 544 2HB GLU 68 2HB GLU 68 8.012 0.483 -34.016 545 1HG GLU 68 1HG GLU 68 6.551 -0.463 -35.559 546 2HG GLU 68 2HG GLU 68 7.632 -0.130 -36.912 547 H TYR 69 H TYR 69 7.304 4.221 -34.516 548 HA TYR 69 HA TYR 69 9.795 4.841 -33.169 549 1HB TYR 69 1HB TYR 69 8.138 6.735 -32.216 550 2HB TYR 69 2HB TYR 69 8.949 6.877 -33.767 551 HD1 TYR 69 HD1 TYR 69 7.688 6.495 -35.863 552 HD2 TYR 69 HD2 TYR 69 5.761 6.477 -32.073 553 HE1 TYR 69 HE1 TYR 69 5.512 6.756 -36.975 554 HE2 TYR 69 HE2 TYR 69 3.579 6.728 -33.178 555 HH TYR 69 HH TYR 69 3.098 6.168 -36.412 556 H TYR 70 H TYR 70 10.226 3.630 -31.446 557 HA TYR 70 HA TYR 70 7.950 2.747 -29.810 558 1HB TYR 70 1HB TYR 70 9.262 0.783 -29.216 559 2HB TYR 70 2HB TYR 70 9.128 0.926 -30.964 560 HD1 TYR 70 HD1 TYR 70 11.074 1.270 -32.327 561 HD2 TYR 70 HD2 TYR 70 11.392 1.246 -28.087 562 HE1 TYR 70 HE1 TYR 70 13.518 1.095 -32.514 563 HE2 TYR 70 HE2 TYR 70 13.833 1.074 -28.261 564 HH TYR 70 HH TYR 70 15.527 0.454 -29.739 565 H VAL 71 H VAL 71 8.818 1.997 -27.538 566 HA VAL 71 HA VAL 71 9.951 4.451 -26.385 567 HB VAL 71 HB VAL 71 8.356 2.320 -24.959 568 1HG1 VAL 71 1HG1 VAL 71 9.743 3.714 -23.515 569 2HG1 VAL 71 2HG1 VAL 71 8.027 4.044 -23.265 570 3HG1 VAL 71 3HG1 VAL 71 9.012 5.165 -24.207 571 1HG2 VAL 71 1HG2 VAL 71 7.002 3.286 -26.738 572 2HG2 VAL 71 2HG2 VAL 71 7.383 4.908 -26.161 573 3HG2 VAL 71 3HG2 VAL 71 6.429 3.818 -25.156 574 H LYS 72 H LYS 72 11.820 4.404 -25.334 575 HA LYS 72 HA LYS 72 13.093 1.809 -24.790 576 1HB LYS 72 1HB LYS 72 14.316 4.560 -24.731 577 2HB LYS 72 2HB LYS 72 15.165 3.025 -24.630 578 1HG LYS 72 1HG LYS 72 14.375 2.496 -26.916 579 2HG LYS 72 2HG LYS 72 13.688 4.122 -27.005 580 1HD LYS 72 1HD LYS 72 15.808 4.277 -28.016 581 2HD LYS 72 2HD LYS 72 15.998 4.971 -26.410 582 1HE LYS 72 1HE LYS 72 17.826 3.609 -26.444 583 2HE LYS 72 2HE LYS 72 16.641 2.500 -25.781 584 1HZ LYS 72 1HZ LYS 72 17.276 2.647 -28.673 585 2HZ LYS 72 2HZ LYS 72 16.385 1.446 -27.869 586 3HZ LYS 72 3HZ LYS 72 18.050 1.586 -27.607 587 H VAL 73 H VAL 73 13.368 1.119 -22.755 588 HA VAL 73 HA VAL 73 12.700 2.955 -20.573 589 HB VAL 73 HB VAL 73 12.881 -0.054 -20.695 590 1HG1 VAL 73 1HG1 VAL 73 12.429 1.677 -18.267 591 2HG1 VAL 73 2HG1 VAL 73 13.814 0.626 -18.567 592 3HG1 VAL 73 3HG1 VAL 73 12.214 -0.074 -18.330 593 1HG2 VAL 73 1HG2 VAL 73 10.603 1.825 -20.094 594 2HG2 VAL 73 2HG2 VAL 73 10.515 0.064 -20.063 595 3HG2 VAL 73 3HG2 VAL 73 10.836 0.904 -21.580 596 H ILE 74 H ILE 74 14.334 3.969 -19.684 597 HA ILE 74 HA ILE 74 16.955 2.628 -19.542 598 HB ILE 74 HB ILE 74 16.332 5.589 -19.474 599 1HG1 ILE 74 1HG1 ILE 74 17.649 3.940 -21.647 600 2HG1 ILE 74 2HG1 ILE 74 15.989 4.528 -21.694 601 1HG2 ILE 74 1HG2 ILE 74 18.304 5.015 -18.153 602 2HG2 ILE 74 2HG2 ILE 74 18.749 5.909 -19.606 603 3HG2 ILE 74 3HG2 ILE 74 18.991 4.163 -19.536 604 1HD1 ILE 74 1HD1 ILE 74 16.803 6.826 -21.674 605 2HD1 ILE 74 2HD1 ILE 74 17.471 5.916 -23.030 606 3HD1 ILE 74 3HD1 ILE 74 18.464 6.238 -21.610 607 H GLU 75 H GLU 75 17.492 1.938 -17.584 608 HA GLU 75 HA GLU 75 16.119 2.858 -15.228 609 1HB GLU 75 1HB GLU 75 16.942 0.489 -15.637 610 2HB GLU 75 2HB GLU 75 18.571 1.092 -15.394 611 1HG GLU 75 1HG GLU 75 16.423 1.387 -13.318 612 2HG GLU 75 2HG GLU 75 17.444 -0.045 -13.432 613 H ASP 76 H ASP 76 16.783 4.464 -13.893 614 HA ASP 76 HA ASP 76 18.487 6.381 -15.063 615 1HB ASP 76 1HB ASP 76 16.540 6.963 -13.690 616 2HB ASP 76 2HB ASP 76 17.350 6.314 -12.271 617 H SER 77 H SER 77 18.985 4.186 -12.316 618 HA SER 77 HA SER 77 21.294 5.503 -11.345 619 1HB SER 77 1HB SER 77 19.928 3.921 -10.003 620 2HB SER 77 2HB SER 77 20.520 2.595 -11.001 621 HG SER 77 HG SER 77 21.884 2.589 -9.318 622 H THR 78 H THR 78 20.828 2.913 -13.684 623 HA THR 78 HA THR 78 23.709 2.652 -14.062 624 HB THR 78 HB THR 78 22.974 0.881 -15.754 625 HG1 THR 78 HG1 THR 78 20.487 1.154 -14.374 626 1HG2 THR 78 1HG2 THR 78 22.203 0.553 -12.852 627 2HG2 THR 78 2HG2 THR 78 23.810 0.304 -13.538 628 3HG2 THR 78 3HG2 THR 78 22.482 -0.764 -13.992 629 H ASN 79 H ASN 79 21.004 4.216 -15.466 630 HA ASN 79 HA ASN 79 20.673 5.509 -17.285 631 1HB ASN 79 1HB ASN 79 23.601 5.837 -16.793 632 2HB ASN 79 2HB ASN 79 22.924 6.484 -18.283 633 1HD2 ASN 79 2HD2 ASN 79 24.059 7.804 -15.882 634 2HD2 ASN 79 1HD2 ASN 79 22.831 8.911 -15.354 635 H GLU 80 H GLU 80 20.952 2.663 -17.672 636 HA GLU 80 HA GLU 80 21.708 2.725 -20.511 637 1HB GLU 80 1HB GLU 80 22.383 0.387 -20.366 638 2HB GLU 80 2HB GLU 80 23.311 1.374 -19.248 639 1HG GLU 80 1HG GLU 80 21.877 0.612 -17.409 640 2HG GLU 80 2HG GLU 80 20.995 -0.411 -18.544 641 H VAL 81 H VAL 81 20.498 1.256 -21.871 642 HA VAL 81 HA VAL 81 17.691 1.385 -21.182 643 HB VAL 81 HB VAL 81 18.944 0.316 -23.714 644 1HG1 VAL 81 1HG1 VAL 81 16.762 0.807 -24.708 645 2HG1 VAL 81 2HG1 VAL 81 16.164 1.327 -23.132 646 3HG1 VAL 81 3HG1 VAL 81 16.628 -0.356 -23.389 647 1HG2 VAL 81 1HG2 VAL 81 19.678 2.609 -23.336 648 2HG2 VAL 81 2HG2 VAL 81 18.006 3.117 -23.101 649 3HG2 VAL 81 3HG2 VAL 81 18.536 2.532 -24.678 650 H ILE 82 H ILE 82 16.826 -0.189 -20.019 651 HA ILE 82 HA ILE 82 18.009 -2.864 -20.133 652 HB ILE 82 HB ILE 82 16.624 -3.322 -18.106 653 1HG1 ILE 82 1HG1 ILE 82 16.096 -0.343 -18.170 654 2HG1 ILE 82 2HG1 ILE 82 14.904 -1.569 -18.579 655 1HG2 ILE 82 1HG2 ILE 82 18.527 -0.987 -17.957 656 2HG2 ILE 82 2HG2 ILE 82 18.952 -2.696 -17.894 657 3HG2 ILE 82 3HG2 ILE 82 18.014 -1.974 -16.588 658 1HD1 ILE 82 1HD1 ILE 82 16.237 -1.244 -15.902 659 2HD1 ILE 82 2HD1 ILE 82 15.021 -2.453 -16.316 660 3HD1 ILE 82 3HD1 ILE 82 14.598 -0.741 -16.317 661 H ARG 83 H ARG 83 15.405 -1.209 -21.463 662 HA ARG 83 HA ARG 83 14.270 -3.662 -22.451 663 1HB ARG 83 1HB ARG 83 13.119 -3.337 -20.265 664 2HB ARG 83 2HB ARG 83 12.523 -1.787 -20.848 665 1HG ARG 83 1HG ARG 83 10.781 -3.385 -21.113 666 2HG ARG 83 2HG ARG 83 11.408 -3.003 -22.718 667 1HD ARG 83 1HD ARG 83 12.831 -5.026 -22.576 668 2HD ARG 83 2HD ARG 83 12.046 -5.424 -21.056 669 HE ARG 83 HE ARG 83 9.968 -5.134 -22.779 670 1HH1 ARG 83 1HH1 ARG 83 12.894 -7.045 -22.847 671 2HH1 ARG 83 2HH1 ARG 83 12.193 -8.330 -23.776 672 1HH2 ARG 83 1HH2 ARG 83 9.026 -6.819 -24.009 673 2HH2 ARG 83 2HH2 ARG 83 9.999 -8.186 -24.474 674 H GLU 84 H GLU 84 13.375 -3.388 -24.433 675 HA GLU 84 HA GLU 84 12.641 -0.649 -25.253 676 1HB GLU 84 1HB GLU 84 13.749 -2.851 -27.012 677 2HB GLU 84 2HB GLU 84 13.271 -1.247 -27.549 678 1HG GLU 84 1HG GLU 84 15.024 -0.309 -26.039 679 2HG GLU 84 2HG GLU 84 15.565 -1.961 -25.741 680 H ILE 85 H ILE 85 10.522 -0.452 -25.642 681 HA ILE 85 HA ILE 85 8.994 -2.936 -26.081 682 HB ILE 85 HB ILE 85 7.985 -0.336 -24.907 683 1HG1 ILE 85 1HG1 ILE 85 7.641 -1.978 -22.886 684 2HG1 ILE 85 2HG1 ILE 85 8.930 -2.889 -23.665 685 1HG2 ILE 85 1HG2 ILE 85 6.261 -1.534 -26.133 686 2HG2 ILE 85 2HG2 ILE 85 5.950 -1.596 -24.397 687 3HG2 ILE 85 3HG2 ILE 85 6.621 -3.003 -25.226 688 1HD1 ILE 85 1HD1 ILE 85 9.816 -1.441 -21.955 689 2HD1 ILE 85 2HD1 ILE 85 9.090 -0.034 -22.733 690 3HD1 ILE 85 3HD1 ILE 85 10.378 -0.927 -23.544 691 HA PRO 86 HA PRO 86 7.982 -1.066 -30.064 692 1HB PRO 86 1HB PRO 86 6.519 -3.200 -30.929 693 2HB PRO 86 2HB PRO 86 8.280 -3.136 -31.042 694 1HG PRO 86 1HG PRO 86 6.555 -4.510 -29.024 695 2HG PRO 86 2HG PRO 86 8.044 -5.082 -29.799 696 1HD PRO 86 1HD PRO 86 7.988 -4.075 -27.280 697 2HD PRO 86 2HD PRO 86 9.394 -3.903 -28.349 698 HA PRO 87 HA PRO 87 4.212 0.822 -28.859 699 1HB PRO 87 1HB PRO 87 3.062 1.129 -31.381 700 2HB PRO 87 2HB PRO 87 4.199 2.247 -30.622 701 1HG PRO 87 1HG PRO 87 4.699 0.108 -32.639 702 2HG PRO 87 2HG PRO 87 5.444 1.709 -32.492 703 1HD PRO 87 1HD PRO 87 6.742 -0.503 -31.738 704 2HD PRO 87 2HD PRO 87 6.906 1.014 -30.830 705 H LYS 88 H LYS 88 4.071 -1.945 -31.002 706 HA LYS 88 HA LYS 88 1.276 -2.369 -30.842 707 1HB LYS 88 1HB LYS 88 1.763 -4.542 -31.845 708 2HB LYS 88 2HB LYS 88 2.637 -3.255 -32.662 709 1HG LYS 88 1HG LYS 88 4.571 -3.918 -31.047 710 2HG LYS 88 2HG LYS 88 3.677 -5.433 -30.913 711 1HD LYS 88 1HD LYS 88 4.729 -4.172 -33.441 712 2HD LYS 88 2HD LYS 88 5.347 -5.622 -32.651 713 1HE LYS 88 1HE LYS 88 3.258 -6.778 -33.103 714 2HE LYS 88 2HE LYS 88 2.586 -5.318 -33.830 715 1HZ LYS 88 1HZ LYS 88 3.388 -6.874 -35.503 716 2HZ LYS 88 2HZ LYS 88 4.944 -6.810 -34.840 717 3HZ LYS 88 3HZ LYS 88 4.272 -5.428 -35.546 718 H ARG 89 H ARG 89 3.813 -3.005 -28.621 719 HA ARG 89 HA ARG 89 1.989 -4.712 -27.048 720 1HB ARG 89 1HB ARG 89 5.011 -4.716 -26.926 721 2HB ARG 89 2HB ARG 89 3.930 -5.754 -26.009 722 1HG ARG 89 1HG ARG 89 3.121 -6.666 -28.214 723 2HG ARG 89 2HG ARG 89 4.461 -5.797 -28.964 724 1HD ARG 89 1HD ARG 89 5.989 -7.006 -27.368 725 2HD ARG 89 2HD ARG 89 4.607 -7.994 -26.912 726 HE ARG 89 HE ARG 89 5.207 -7.912 -29.753 727 1HH1 ARG 89 1HH1 ARG 89 5.638 -9.604 -26.710 728 2HH1 ARG 89 2HH1 ARG 89 6.085 -11.109 -27.457 729 1HH2 ARG 89 1HH2 ARG 89 5.759 -9.906 -30.738 730 2HH2 ARG 89 2HH2 ARG 89 6.132 -11.279 -29.744 731 H TRP 90 H TRP 90 2.821 -1.696 -27.304 732 HA TRP 90 HA TRP 90 3.971 -1.007 -24.795 733 1HB TRP 90 1HB TRP 90 4.326 0.497 -26.588 734 2HB TRP 90 2HB TRP 90 2.612 0.569 -26.973 735 HD1 TRP 90 HD1 TRP 90 1.367 2.617 -26.095 736 HE1 TRP 90 HE1 TRP 90 1.840 4.445 -24.340 737 HE3 TRP 90 HE3 TRP 90 5.697 0.752 -24.093 738 HZ2 TRP 90 HZ2 TRP 90 3.770 5.016 -22.372 739 HZ3 TRP 90 HZ3 TRP 90 6.785 2.003 -22.276 740 HH2 TRP 90 HH2 TRP 90 5.843 4.089 -21.435 741 H LEU 91 H LEU 91 0.694 -1.415 -25.928 742 HA LEU 91 HA LEU 91 -0.561 0.253 -24.032 743 1HB LEU 91 1HB LEU 91 -1.672 -2.074 -25.597 744 2HB LEU 91 2HB LEU 91 -2.640 -0.962 -24.652 745 HG LEU 91 HG LEU 91 -2.888 -0.187 -26.828 746 1HD1 LEU 91 1HD1 LEU 91 -0.615 1.405 -25.676 747 2HD1 LEU 91 2HD1 LEU 91 -2.332 1.631 -25.345 748 3HD1 LEU 91 3HD1 LEU 91 -1.698 1.941 -26.962 749 1HD2 LEU 91 1HD2 LEU 91 -1.154 0.040 -28.471 750 2HD2 LEU 91 2HD2 LEU 91 -1.133 -1.604 -27.829 751 3HD2 LEU 91 3HD2 LEU 91 0.072 -0.432 -27.296 752 H ASP 92 H ASP 92 0.192 -3.204 -24.002 753 HA ASP 92 HA ASP 92 -1.162 -3.646 -21.515 754 1HB ASP 92 1HB ASP 92 0.732 -5.339 -23.133 755 2HB ASP 92 2HB ASP 92 0.108 -5.855 -21.567 756 H PHE 93 H PHE 93 2.137 -2.923 -22.483 757 HA PHE 93 HA PHE 93 3.335 -3.295 -19.950 758 1HB PHE 93 1HB PHE 93 4.684 -3.062 -21.989 759 2HB PHE 93 2HB PHE 93 4.120 -1.406 -22.189 760 HD1 PHE 93 HD1 PHE 93 5.283 0.357 -21.212 761 HD2 PHE 93 HD2 PHE 93 6.001 -3.617 -19.877 762 HE1 PHE 93 HE1 PHE 93 7.169 1.160 -19.857 763 HE2 PHE 93 HE2 PHE 93 7.890 -2.822 -18.513 764 HZ PHE 93 HZ PHE 93 8.476 -0.429 -18.504 765 H TYR 94 H TYR 94 1.788 -0.547 -21.519 766 HA TYR 94 HA TYR 94 2.148 1.404 -19.578 767 1HB TYR 94 1HB TYR 94 1.194 1.863 -21.791 768 2HB TYR 94 2HB TYR 94 -0.243 0.937 -21.379 769 HD1 TYR 94 HD1 TYR 94 -2.027 1.930 -20.166 770 HD2 TYR 94 HD2 TYR 94 1.648 4.019 -20.616 771 HE1 TYR 94 HE1 TYR 94 -3.088 3.969 -19.296 772 HE2 TYR 94 HE2 TYR 94 0.599 6.062 -19.745 773 HH TYR 94 HH TYR 94 -1.529 7.057 -19.431 774 H ALA 95 H ALA 95 -0.586 -0.839 -19.964 775 HA ALA 95 HA ALA 95 -2.010 -0.108 -17.684 776 1HB ALA 95 1HB ALA 95 -1.868 -2.832 -18.974 777 2HB ALA 95 2HB ALA 95 -2.938 -1.515 -19.460 778 3HB ALA 95 3HB ALA 95 -3.126 -2.266 -17.876 779 H ALA 96 H ALA 96 0.449 -2.632 -18.095 780 HA ALA 96 HA ALA 96 0.330 -3.768 -15.562 781 1HB ALA 96 1HB ALA 96 2.783 -3.458 -17.292 782 2HB ALA 96 2HB ALA 96 1.578 -4.735 -17.446 783 3HB ALA 96 3HB ALA 96 2.564 -4.625 -15.988 784 H MET 97 H MET 97 2.108 -0.919 -16.661 785 HA MET 97 HA MET 97 3.481 -0.607 -14.157 786 1HB MET 97 1HB MET 97 4.595 0.180 -16.127 787 2HB MET 97 2HB MET 97 3.226 1.196 -16.563 788 1HG MET 97 1HG MET 97 3.637 2.664 -14.732 789 2HG MET 97 2HG MET 97 4.857 1.581 -14.066 790 1HE MET 97 1HE MET 97 7.835 1.963 -16.489 791 2HE MET 97 2HE MET 97 6.613 0.690 -16.470 792 3HE MET 97 3HE MET 97 7.260 1.314 -14.952 793 H THR 98 H THR 98 0.760 1.045 -15.760 794 HA THR 98 HA THR 98 0.411 3.034 -13.796 795 HB THR 98 HB THR 98 -1.738 1.873 -15.586 796 HG1 THR 98 HG1 THR 98 -0.671 4.161 -16.498 797 1HG2 THR 98 1HG2 THR 98 -2.582 3.361 -13.829 798 2HG2 THR 98 2HG2 THR 98 -2.724 4.114 -15.417 799 3HG2 THR 98 3HG2 THR 98 -1.431 4.603 -14.323 800 H GLU 99 H GLU 99 -1.006 -0.215 -14.074 801 HA GLU 99 HA GLU 99 -2.847 0.013 -11.973 802 1HB GLU 99 1HB GLU 99 -1.330 -2.398 -12.962 803 2HB GLU 99 2HB GLU 99 -2.621 -2.478 -11.774 804 1HG GLU 99 1HG GLU 99 -4.093 -1.376 -13.507 805 2HG GLU 99 2HG GLU 99 -2.804 -1.704 -14.663 806 H PHE 100 H PHE 100 0.583 -0.675 -11.974 807 HA PHE 100 HA PHE 100 0.644 -1.283 -9.150 808 1HB PHE 100 1HB PHE 100 2.172 -2.388 -10.768 809 2HB PHE 100 2HB PHE 100 2.936 -0.833 -11.075 810 HD1 PHE 100 HD1 PHE 100 2.068 -3.032 -8.189 811 HD2 PHE 100 HD2 PHE 100 4.887 -0.382 -9.954 812 HE1 PHE 100 HE1 PHE 100 3.629 -3.455 -6.332 813 HE2 PHE 100 HE2 PHE 100 6.449 -0.802 -8.108 814 HZ PHE 100 HZ PHE 100 5.822 -2.339 -6.294 815 H LEU 101 H LEU 101 2.022 1.286 -11.208 816 HA LEU 101 HA LEU 101 3.130 2.749 -9.069 817 1HB LEU 101 1HB LEU 101 2.615 3.290 -11.948 818 2HB LEU 101 2HB LEU 101 2.970 4.654 -10.909 819 HG LEU 101 HG LEU 101 4.984 3.872 -12.038 820 1HD1 LEU 101 1HD1 LEU 101 6.421 3.622 -10.089 821 2HD1 LEU 101 2HD1 LEU 101 5.014 3.263 -9.086 822 3HD1 LEU 101 3HD1 LEU 101 5.190 4.857 -9.819 823 1HD2 LEU 101 1HD2 LEU 101 4.512 1.263 -10.598 824 2HD2 LEU 101 2HD2 LEU 101 5.946 1.683 -11.535 825 3HD2 LEU 101 3HD2 LEU 101 4.382 1.526 -12.337 826 H GLY 102 H GLY 102 0.004 3.018 -10.712 827 1HA GLY 102 1HA GLY 102 -0.657 5.541 -9.557 828 2HA GLY 102 2HA GLY 102 -1.770 4.456 -10.359 829 H LEU 103 H LEU 103 -0.573 2.440 -8.208 830 HA LEU 103 HA LEU 103 -2.628 2.966 -6.236 831 1HB LEU 103 1HB LEU 103 -0.509 0.825 -6.411 832 2HB LEU 103 2HB LEU 103 -1.686 0.928 -5.114 833 HG LEU 103 HG LEU 103 -2.303 0.483 -8.039 834 1HD1 LEU 103 1HD1 LEU 103 -2.468 -1.351 -5.651 835 2HD1 LEU 103 2HD1 LEU 103 -1.322 -1.468 -6.988 836 3HD1 LEU 103 3HD1 LEU 103 -3.043 -1.730 -7.276 837 1HD2 LEU 103 1HD2 LEU 103 -4.050 1.794 -6.940 838 2HD2 LEU 103 2HD2 LEU 103 -4.155 0.589 -5.655 839 3HD2 LEU 103 3HD2 LEU 103 -4.608 0.162 -7.305 840 H PHE 104 H PHE 104 0.722 3.595 -6.656 841 HA PHE 104 HA PHE 104 1.230 4.063 -3.828 842 1HB PHE 104 1HB PHE 104 2.951 4.301 -6.300 843 2HB PHE 104 2HB PHE 104 3.508 4.779 -4.704 844 HD1 PHE 104 HD1 PHE 104 4.762 3.272 -3.540 845 HD2 PHE 104 HD2 PHE 104 1.916 1.827 -6.356 846 HE1 PHE 104 HE1 PHE 104 5.510 0.970 -3.113 847 HE2 PHE 104 HE2 PHE 104 2.659 -0.476 -5.930 848 HZ PHE 104 HZ PHE 104 4.460 -0.910 -4.305 849 H VAL 105 H VAL 105 0.244 5.809 -6.606 850 HA VAL 105 HA VAL 105 1.384 8.327 -5.831 851 HB VAL 105 HB VAL 105 0.242 9.277 -7.754 852 1HG1 VAL 105 1HG1 VAL 105 2.343 8.149 -8.162 853 2HG1 VAL 105 2HG1 VAL 105 1.251 7.921 -9.528 854 3HG1 VAL 105 3HG1 VAL 105 1.501 6.615 -8.369 855 1HG2 VAL 105 1HG2 VAL 105 -1.082 6.589 -8.023 856 2HG2 VAL 105 2HG2 VAL 105 -1.159 7.890 -9.213 857 3HG2 VAL 105 3HG2 VAL 105 -1.869 8.113 -7.613 858 H ASP 106 H ASP 106 0.111 10.271 -5.685 859 HA ASP 106 HA ASP 106 -1.673 10.273 -3.579 860 1HB ASP 106 1HB ASP 106 -0.348 12.244 -4.425 861 2HB ASP 106 2HB ASP 106 -1.510 12.381 -5.741 862 H GLU 107 H GLU 107 -3.358 9.183 -3.632 863 HA GLU 107 HA GLU 107 -4.992 8.327 -5.657 864 1HB GLU 107 1HB GLU 107 -4.925 7.516 -3.300 865 2HB GLU 107 2HB GLU 107 -5.918 8.892 -2.844 866 1HG GLU 107 1HG GLU 107 -7.759 8.104 -4.056 867 2HG GLU 107 2HG GLU 107 -6.772 6.948 -4.942 868 H LYS 108 H LYS 108 -4.679 11.486 -5.314 869 HA LYS 108 HA LYS 108 -7.447 12.031 -6.122 870 1HB LYS 108 1HB LYS 108 -5.260 13.796 -5.085 871 2HB LYS 108 2HB LYS 108 -6.518 14.485 -6.100 872 1HG LYS 108 1HG LYS 108 -8.209 13.628 -4.511 873 2HG LYS 108 2HG LYS 108 -6.896 13.078 -3.468 874 1HD LYS 108 1HD LYS 108 -6.137 15.303 -3.111 875 2HD LYS 108 2HD LYS 108 -7.194 15.935 -4.375 876 1HE LYS 108 1HE LYS 108 -9.148 15.377 -3.057 877 2HE LYS 108 2HE LYS 108 -8.131 14.646 -1.817 878 1HZ LYS 108 1HZ LYS 108 -8.950 16.990 -1.405 879 2HZ LYS 108 2HZ LYS 108 -7.844 17.489 -2.587 880 3HZ LYS 108 3HZ LYS 108 -7.290 16.715 -1.185 881 H LYS 109 H LYS 109 -4.206 11.774 -7.256 882 HA LYS 109 HA LYS 109 -4.822 13.141 -9.774 883 1HB LYS 109 1HB LYS 109 -2.246 12.148 -8.557 884 2HB LYS 109 2HB LYS 109 -2.347 12.682 -10.226 885 1HG LYS 109 1HG LYS 109 -1.486 14.475 -8.908 886 2HG LYS 109 2HG LYS 109 -3.122 14.899 -9.406 887 1HD LYS 109 1HD LYS 109 -3.991 14.408 -7.250 888 2HD LYS 109 2HD LYS 109 -2.470 13.675 -6.736 889 1HE LYS 109 1HE LYS 109 -1.363 15.837 -6.859 890 2HE LYS 109 2HE LYS 109 -2.849 16.579 -7.457 891 1HZ LYS 109 1HZ LYS 109 -3.858 16.426 -5.422 892 2HZ LYS 109 2HZ LYS 109 -2.250 16.709 -4.949 893 3HZ LYS 109 3HZ LYS 109 -2.888 15.137 -4.897 894 H LEU 110 H LEU 110 -5.621 10.307 -8.749 895 HA LEU 110 HA LEU 110 -4.358 8.547 -10.620 896 1HB LEU 110 1HB LEU 110 -5.639 6.821 -9.719 897 2HB LEU 110 2HB LEU 110 -5.353 7.893 -8.365 898 HG LEU 110 HG LEU 110 -7.925 7.755 -9.952 899 1HD1 LEU 110 1HD1 LEU 110 -8.849 6.655 -7.988 900 2HD1 LEU 110 2HD1 LEU 110 -7.266 6.690 -7.212 901 3HD1 LEU 110 3HD1 LEU 110 -7.514 5.722 -8.665 902 1HD2 LEU 110 1HD2 LEU 110 -7.581 9.956 -8.989 903 2HD2 LEU 110 2HD2 LEU 110 -7.235 9.236 -7.416 904 3HD2 LEU 110 3HD2 LEU 110 -8.849 9.098 -8.113 905 H GLU 111 H GLU 111 -6.994 10.685 -10.705 906 HA GLU 111 HA GLU 111 -8.302 11.443 -12.378 907 1HB GLU 111 1HB GLU 111 -6.353 11.107 -13.851 908 2HB GLU 111 2HB GLU 111 -6.860 9.446 -14.131 909 1HG GLU 111 1HG GLU 111 -9.036 10.423 -14.981 910 2HG GLU 111 2HG GLU 111 -8.201 11.974 -15.008 911 H HIS 112 H HIS 112 -7.940 7.921 -12.537 912 HA HIS 112 HA HIS 112 -10.577 7.566 -13.609 913 1HB HIS 112 1HB HIS 112 -8.538 5.567 -12.610 914 2HB HIS 112 2HB HIS 112 -10.065 5.126 -13.359 915 HD1 HIS 112 HD1 HIS 112 -9.697 4.426 -15.696 916 HD2 HIS 112 HD2 HIS 112 -7.150 7.499 -14.557 917 HE1 HIS 112 HE1 HIS 112 -8.327 4.960 -17.734 918 H HIS 113 H HIS 113 -12.333 7.763 -12.408 919 HA HIS 113 HA HIS 113 -12.268 7.162 -9.569 920 1HB HIS 113 1HB HIS 113 -14.498 8.040 -9.464 921 2HB HIS 113 2HB HIS 113 -13.553 9.110 -10.486 922 HD1 HIS 113 HD1 HIS 113 -13.923 8.520 -13.222 923 HD2 HIS 113 HD2 HIS 113 -16.879 7.406 -10.513 924 HE1 HIS 113 HE1 HIS 113 -16.019 8.247 -14.578 925 H HIS 114 H HIS 114 -13.624 5.567 -8.575 926 HA HIS 114 HA HIS 114 -14.184 3.397 -8.292 927 1HB HIS 114 1HB HIS 114 -15.139 3.789 -11.096 928 2HB HIS 114 2HB HIS 114 -15.083 2.162 -10.424 929 HD1 HIS 114 HD1 HIS 114 -17.544 4.377 -11.075 930 HD2 HIS 114 HD2 HIS 114 -16.303 2.668 -7.492 931 HE1 HIS 114 HE1 HIS 114 -19.524 4.520 -9.526 932 H HIS 115 H HIS 115 -12.679 2.014 -7.874 933 HA HIS 115 HA HIS 115 -10.351 1.839 -9.600 934 1HB HIS 115 1HB HIS 115 -10.872 0.453 -6.960 935 2HB HIS 115 2HB HIS 115 -9.317 0.624 -7.766 936 HD1 HIS 115 HD1 HIS 115 -9.513 1.617 -4.939 937 HD2 HIS 115 HD2 HIS 115 -10.366 4.025 -8.224 938 HE1 HIS 115 HE1 HIS 115 -9.288 3.988 -4.123 939 H HIS 116 H HIS 116 -9.419 -0.669 -9.415 940 HA HIS 116 HA HIS 116 -11.572 -2.264 -10.647 941 1HB HIS 116 1HB HIS 116 -10.146 -3.046 -12.329 942 2HB HIS 116 2HB HIS 116 -9.702 -1.352 -12.188 943 HD1 HIS 116 HD1 HIS 116 -8.349 -4.740 -12.044 944 HD2 HIS 116 HD2 HIS 116 -7.167 -0.956 -10.778 945 HE1 HIS 116 HE1 HIS 116 -5.891 -4.928 -11.555 946 H HIS 117 H HIS 117 -11.284 -4.598 -10.526 947 HA HIS 117 HA HIS 117 -9.399 -5.591 -8.548 948 1HB HIS 117 1HB HIS 117 -11.431 -4.984 -7.240 949 2HB HIS 117 2HB HIS 117 -12.376 -6.066 -8.255 950 HD1 HIS 117 HD1 HIS 117 -10.008 -6.028 -5.384 951 HD2 HIS 117 HD2 HIS 117 -11.923 -8.829 -7.797 952 HE1 HIS 117 HE1 HIS 117 -9.727 -8.239 -4.219 Start of MODEL 20 1 HA LEU 1 HA LEU 1 2.840 3.548 1.932 2 1HB LEU 1 1HB LEU 1 3.619 2.032 0.067 3 2HB LEU 1 2HB LEU 1 2.262 1.459 1.009 4 HG LEU 1 HG LEU 1 1.814 2.841 -1.624 5 1HD1 LEU 1 1HD1 LEU 1 2.433 -0.079 -1.193 6 2HD1 LEU 1 2HD1 LEU 1 3.435 1.082 -2.063 7 3HD1 LEU 1 3HD1 LEU 1 1.852 0.636 -2.697 8 1HD2 LEU 1 1HD2 LEU 1 -0.124 2.436 -0.185 9 2HD2 LEU 1 2HD2 LEU 1 0.292 0.723 -0.101 10 3HD2 LEU 1 3HD2 LEU 1 -0.191 1.439 -1.639 11 H ASN 2 H ASN 2 4.739 4.504 1.475 12 HA ASN 2 HA ASN 2 4.657 6.801 -0.216 13 1HB ASN 2 1HB ASN 2 6.807 7.332 0.619 14 2HB ASN 2 2HB ASN 2 5.956 6.579 1.961 15 1HD2 ASN 2 2HD2 ASN 2 6.594 4.559 2.680 16 2HD2 ASN 2 1HD2 ASN 2 8.109 3.847 2.222 17 H ILE 3 H ILE 3 6.181 7.282 -1.921 18 HA ILE 3 HA ILE 3 6.845 4.876 -3.497 19 HB ILE 3 HB ILE 3 5.009 6.178 -4.472 20 1HG1 ILE 3 1HG1 ILE 3 7.562 6.451 -6.076 21 2HG1 ILE 3 2HG1 ILE 3 6.586 4.990 -5.960 22 1HG2 ILE 3 1HG2 ILE 3 6.989 8.447 -4.569 23 2HG2 ILE 3 2HG2 ILE 3 5.546 8.354 -3.562 24 3HG2 ILE 3 3HG2 ILE 3 5.393 8.449 -5.315 25 1HD1 ILE 3 1HD1 ILE 3 4.719 6.165 -7.014 26 2HD1 ILE 3 2HD1 ILE 3 6.159 6.149 -8.035 27 3HD1 ILE 3 3HD1 ILE 3 5.719 7.612 -7.151 28 H GLU 4 H GLU 4 8.105 7.447 -1.805 29 HA GLU 4 HA GLU 4 10.194 8.365 -3.456 30 1HB GLU 4 1HB GLU 4 9.950 8.297 -0.447 31 2HB GLU 4 2HB GLU 4 11.245 9.117 -1.303 32 1HG GLU 4 1HG GLU 4 9.637 10.740 -0.661 33 2HG GLU 4 2HG GLU 4 9.534 10.537 -2.406 34 H ARG 5 H ARG 5 9.827 5.435 -1.689 35 HA ARG 5 HA ARG 5 12.738 4.977 -1.754 36 1HB ARG 5 1HB ARG 5 10.790 3.485 -0.003 37 2HB ARG 5 2HB ARG 5 12.540 3.572 0.136 38 1HG ARG 5 1HG ARG 5 12.417 5.874 0.837 39 2HG ARG 5 2HG ARG 5 10.668 5.883 0.599 40 1HD ARG 5 1HD ARG 5 10.684 3.893 2.252 41 2HD ARG 5 2HD ARG 5 12.288 4.474 2.690 42 HE ARG 5 HE ARG 5 10.529 6.645 2.776 43 1HH1 ARG 5 1HH1 ARG 5 11.152 3.641 4.482 44 2HH1 ARG 5 2HH1 ARG 5 10.411 4.184 5.957 45 1HH2 ARG 5 1HH2 ARG 5 9.576 7.358 4.733 46 2HH2 ARG 5 2HH2 ARG 5 9.522 6.284 6.105 47 H LEU 6 H LEU 6 10.305 4.506 -3.610 48 HA LEU 6 HA LEU 6 10.183 1.686 -3.964 49 1HB LEU 6 1HB LEU 6 8.416 3.273 -4.709 50 2HB LEU 6 2HB LEU 6 9.522 3.890 -5.921 51 HG LEU 6 HG LEU 6 9.603 1.661 -6.947 52 1HD1 LEU 6 1HD1 LEU 6 9.076 0.307 -5.003 53 2HD1 LEU 6 2HD1 LEU 6 7.944 -0.027 -6.315 54 3HD1 LEU 6 3HD1 LEU 6 7.448 0.983 -4.958 55 1HD2 LEU 6 1HD2 LEU 6 8.067 3.364 -7.782 56 2HD2 LEU 6 2HD2 LEU 6 6.830 2.799 -6.657 57 3HD2 LEU 6 3HD2 LEU 6 7.388 1.746 -7.955 58 H THR 7 H THR 7 12.177 0.795 -4.214 59 HA THR 7 HA THR 7 13.972 1.934 -6.235 60 HB THR 7 HB THR 7 15.714 0.543 -5.112 61 HG1 THR 7 HG1 THR 7 14.941 -0.983 -3.853 62 1HG2 THR 7 1HG2 THR 7 14.219 2.431 -3.287 63 2HG2 THR 7 2HG2 THR 7 15.427 2.890 -4.486 64 3HG2 THR 7 3HG2 THR 7 15.895 1.918 -3.092 65 H THR 8 H THR 8 11.631 -0.262 -6.269 66 HA THR 8 HA THR 8 13.060 -2.000 -8.121 67 HB THR 8 HB THR 8 13.187 -3.219 -6.031 68 HG1 THR 8 HG1 THR 8 12.081 -5.121 -6.694 69 1HG2 THR 8 1HG2 THR 8 10.184 -2.910 -5.910 70 2HG2 THR 8 2HG2 THR 8 11.362 -2.182 -4.818 71 3HG2 THR 8 3HG2 THR 8 11.145 -3.932 -4.841 72 H LEU 9 H LEU 9 11.802 -3.009 -9.649 73 HA LEU 9 HA LEU 9 8.970 -2.226 -9.759 74 1HB LEU 9 1HB LEU 9 11.001 -2.299 -11.993 75 2HB LEU 9 2HB LEU 9 9.274 -2.186 -12.269 76 HG LEU 9 HG LEU 9 10.982 -0.149 -10.830 77 1HD1 LEU 9 1HD1 LEU 9 10.454 1.271 -12.760 78 2HD1 LEU 9 2HD1 LEU 9 9.621 -0.086 -13.520 79 3HD1 LEU 9 3HD1 LEU 9 11.357 -0.171 -13.223 80 1HD2 LEU 9 1HD2 LEU 9 8.040 -0.079 -11.505 81 2HD2 LEU 9 2HD2 LEU 9 8.974 1.227 -10.776 82 3HD2 LEU 9 3HD2 LEU 9 8.724 -0.278 -9.891 83 H GLN 10 H GLN 10 10.427 -4.666 -8.827 84 HA GLN 10 HA GLN 10 10.314 -6.747 -10.645 85 1HB GLN 10 1HB GLN 10 11.377 -7.000 -8.486 86 2HB GLN 10 2HB GLN 10 9.830 -6.848 -7.667 87 1HG GLN 10 1HG GLN 10 10.588 -9.168 -7.776 88 2HG GLN 10 2HG GLN 10 9.069 -8.929 -8.638 89 1HE2 GLN 10 2HE2 GLN 10 9.357 -10.746 -9.905 90 2HE2 GLN 10 1HE2 GLN 10 10.533 -10.815 -11.172 91 HA PRO 11 HA PRO 11 5.673 -7.621 -9.320 92 1HB PRO 11 1HB PRO 11 4.851 -4.868 -8.586 93 2HB PRO 11 2HB PRO 11 4.384 -6.413 -7.864 94 1HG PRO 11 1HG PRO 11 6.069 -4.792 -6.603 95 2HG PRO 11 2HG PRO 11 6.320 -6.549 -6.586 96 1HD PRO 11 1HD PRO 11 7.700 -4.448 -8.216 97 2HD PRO 11 2HD PRO 11 8.381 -5.868 -7.392 98 H VAL 12 H VAL 12 6.932 -4.773 -10.861 99 HA VAL 12 HA VAL 12 4.746 -4.508 -12.726 100 HB VAL 12 HB VAL 12 7.531 -3.337 -12.902 101 1HG1 VAL 12 1HG1 VAL 12 6.391 -3.397 -15.059 102 2HG1 VAL 12 2HG1 VAL 12 6.525 -1.740 -14.467 103 3HG1 VAL 12 3HG1 VAL 12 4.988 -2.597 -14.349 104 1HG2 VAL 12 1HG2 VAL 12 6.402 -2.599 -10.884 105 2HG2 VAL 12 2HG2 VAL 12 4.987 -2.134 -11.827 106 3HG2 VAL 12 3HG2 VAL 12 6.513 -1.277 -12.046 107 H TRP 13 H TRP 13 8.088 -5.698 -12.818 108 HA TRP 13 HA TRP 13 8.087 -6.664 -15.449 109 1HB TRP 13 1HB TRP 13 9.620 -7.565 -13.003 110 2HB TRP 13 2HB TRP 13 9.925 -8.196 -14.619 111 HD1 TRP 13 HD1 TRP 13 11.141 -5.620 -12.339 112 HE1 TRP 13 HE1 TRP 13 12.519 -3.839 -13.601 113 HE3 TRP 13 HE3 TRP 13 9.779 -6.792 -17.116 114 HZ2 TRP 13 HZ2 TRP 13 12.951 -3.045 -16.272 115 HZ3 TRP 13 HZ3 TRP 13 10.719 -5.477 -18.968 116 HH2 TRP 13 HH2 TRP 13 12.272 -3.642 -18.552 117 H ASP 14 H ASP 14 7.247 -8.217 -12.405 118 HA ASP 14 HA ASP 14 6.712 -10.797 -13.272 119 1HB ASP 14 1HB ASP 14 6.781 -10.150 -10.911 120 2HB ASP 14 2HB ASP 14 5.312 -9.204 -11.113 121 H ARG 15 H ARG 15 4.577 -7.991 -13.150 122 HA ARG 15 HA ARG 15 2.282 -9.403 -14.139 123 1HB ARG 15 1HB ARG 15 2.327 -7.362 -12.609 124 2HB ARG 15 2HB ARG 15 2.683 -6.417 -14.047 125 1HG ARG 15 1HG ARG 15 0.583 -7.064 -15.043 126 2HG ARG 15 2HG ARG 15 0.235 -8.128 -13.674 127 1HD ARG 15 1HD ARG 15 0.486 -6.054 -12.218 128 2HD ARG 15 2HD ARG 15 0.404 -5.131 -13.716 129 HE ARG 15 HE ARG 15 -1.837 -5.860 -14.018 130 1HH1 ARG 15 1HH1 ARG 15 -0.412 -6.798 -10.948 131 2HH1 ARG 15 2HH1 ARG 15 -1.945 -7.084 -10.176 132 1HH2 ARG 15 1HH2 ARG 15 -3.849 -6.205 -13.001 133 2HH2 ARG 15 2HH2 ARG 15 -3.899 -6.744 -11.349 134 H TYR 16 H TYR 16 4.754 -7.308 -15.472 135 HA TYR 16 HA TYR 16 3.674 -6.741 -17.968 136 1HB TYR 16 1HB TYR 16 5.726 -5.723 -16.998 137 2HB TYR 16 2HB TYR 16 6.583 -7.228 -17.296 138 HD1 TYR 16 HD1 TYR 16 4.598 -4.643 -19.119 139 HD2 TYR 16 HD2 TYR 16 7.809 -7.431 -19.254 140 HE1 TYR 16 HE1 TYR 16 5.224 -3.810 -21.343 141 HE2 TYR 16 HE2 TYR 16 8.442 -6.606 -21.485 142 HH TYR 16 HH TYR 16 7.404 -5.414 -23.391 143 H ASP 17 H ASP 17 5.802 -9.428 -17.027 144 HA ASP 17 HA ASP 17 5.896 -10.628 -19.578 145 1HB ASP 17 1HB ASP 17 7.500 -11.062 -17.703 146 2HB ASP 17 2HB ASP 17 6.240 -11.994 -16.899 147 H THR 18 H THR 18 3.676 -11.004 -16.875 148 HA THR 18 HA THR 18 2.424 -13.336 -17.982 149 HB THR 18 HB THR 18 0.655 -12.726 -16.139 150 HG1 THR 18 HG1 THR 18 2.861 -11.433 -14.953 151 1HG2 THR 18 1HG2 THR 18 2.168 -14.640 -16.042 152 2HG2 THR 18 2HG2 THR 18 2.037 -13.862 -14.464 153 3HG2 THR 18 3HG2 THR 18 3.465 -13.595 -15.462 154 H GLN 19 H GLN 19 2.120 -10.020 -18.625 155 HA GLN 19 HA GLN 19 -0.549 -10.485 -19.743 156 1HB GLN 19 1HB GLN 19 0.914 -7.902 -19.219 157 2HB GLN 19 2HB GLN 19 -0.633 -8.009 -20.051 158 1HG GLN 19 1HG GLN 19 -1.659 -8.974 -18.081 159 2HG GLN 19 2HG GLN 19 -0.111 -8.959 -17.244 160 1HE2 GLN 19 2HE2 GLN 19 -2.628 -7.699 -16.517 161 2HE2 GLN 19 1HE2 GLN 19 -2.290 -6.003 -16.359 162 H ILE 20 H ILE 20 2.676 -9.360 -20.610 163 HA ILE 20 HA ILE 20 2.278 -8.892 -23.326 164 HB ILE 20 HB ILE 20 4.658 -9.844 -21.773 165 1HG1 ILE 20 1HG1 ILE 20 4.208 -7.584 -21.310 166 2HG1 ILE 20 2HG1 ILE 20 5.481 -7.532 -22.517 167 1HG2 ILE 20 1HG2 ILE 20 4.930 -10.772 -23.997 168 2HG2 ILE 20 2HG2 ILE 20 6.069 -9.451 -23.738 169 3HG2 ILE 20 3HG2 ILE 20 4.623 -9.192 -24.715 170 1HD1 ILE 20 1HD1 ILE 20 2.553 -7.012 -22.917 171 2HD1 ILE 20 2HD1 ILE 20 3.705 -7.182 -24.235 172 3HD1 ILE 20 3HD1 ILE 20 3.890 -5.871 -23.071 173 H HIS 21 H HIS 21 2.702 -11.934 -21.605 174 HA HIS 21 HA HIS 21 3.088 -13.425 -24.045 175 1HB HIS 21 1HB HIS 21 3.415 -15.354 -22.691 176 2HB HIS 21 2HB HIS 21 4.208 -14.023 -21.869 177 HD1 HIS 21 HD1 HIS 21 3.882 -16.092 -19.979 178 HD2 HIS 21 HD2 HIS 21 0.621 -13.684 -20.900 179 HE1 HIS 21 HE1 HIS 21 2.246 -16.422 -18.106 180 H ASN 22 H ASN 22 0.401 -12.061 -22.829 181 HA ASN 22 HA ASN 22 -1.333 -14.025 -24.091 182 1HB ASN 22 1HB ASN 22 -1.121 -14.614 -21.606 183 2HB ASN 22 2HB ASN 22 -1.970 -13.108 -21.285 184 1HD2 ASN 22 2HD2 ASN 22 -2.821 -15.746 -20.617 185 2HD2 ASN 22 1HD2 ASN 22 -4.312 -16.028 -21.446 186 H GLN 23 H GLN 23 -1.416 -12.232 -25.566 187 HA GLN 23 HA GLN 23 -3.274 -10.120 -24.684 188 1HB GLN 23 1HB GLN 23 -2.241 -8.731 -26.525 189 2HB GLN 23 2HB GLN 23 -1.194 -9.054 -25.152 190 1HG GLN 23 1HG GLN 23 -0.210 -10.947 -26.477 191 2HG GLN 23 2HG GLN 23 -1.119 -10.344 -27.861 192 1HE2 GLN 23 2HE2 GLN 23 0.263 -8.227 -25.450 193 2HE2 GLN 23 1HE2 GLN 23 1.473 -7.545 -26.478 194 H LYS 24 H LYS 24 -4.994 -9.614 -26.075 195 HA LYS 24 HA LYS 24 -5.371 -11.284 -28.421 196 1HB LYS 24 1HB LYS 24 -7.452 -12.329 -27.472 197 2HB LYS 24 2HB LYS 24 -5.951 -12.877 -26.749 198 1HG LYS 24 1HG LYS 24 -6.340 -11.262 -24.882 199 2HG LYS 24 2HG LYS 24 -7.935 -10.948 -25.571 200 1HD LYS 24 1HD LYS 24 -8.020 -12.611 -23.761 201 2HD LYS 24 2HD LYS 24 -8.534 -13.293 -25.305 202 1HE LYS 24 1HE LYS 24 -6.346 -14.304 -25.610 203 2HE LYS 24 2HE LYS 24 -5.781 -13.575 -24.110 204 1HZ LYS 24 1HZ LYS 24 -7.206 -14.939 -22.849 205 2HZ LYS 24 2HZ LYS 24 -6.474 -15.964 -23.982 206 3HZ LYS 24 3HZ LYS 24 -8.070 -15.452 -24.216 207 H ASP 25 H ASP 25 -8.419 -10.869 -27.607 208 HA ASP 25 HA ASP 25 -8.600 -8.317 -29.029 209 1HB ASP 25 1HB ASP 25 -9.815 -10.291 -29.925 210 2HB ASP 25 2HB ASP 25 -10.751 -10.359 -28.435 211 H ASN 26 H ASN 26 -10.201 -9.996 -26.339 212 HA ASN 26 HA ASN 26 -10.497 -7.395 -24.997 213 1HB ASN 26 1HB ASN 26 -12.628 -8.605 -25.322 214 2HB ASN 26 2HB ASN 26 -11.971 -9.991 -24.459 215 1HD2 ASN 26 2HD2 ASN 26 -11.869 -9.963 -22.260 216 2HD2 ASN 26 1HD2 ASN 26 -12.577 -8.714 -21.287 217 H ASP 27 H ASP 27 -8.449 -7.264 -24.193 218 HA ASP 27 HA ASP 27 -6.992 -9.450 -23.185 219 1HB ASP 27 1HB ASP 27 -6.502 -6.513 -22.665 220 2HB ASP 27 2HB ASP 27 -5.320 -7.816 -22.560 221 H ASN 28 H ASN 28 -7.905 -6.571 -21.250 222 HA ASN 28 HA ASN 28 -8.970 -8.406 -19.234 223 1HB ASN 28 1HB ASN 28 -6.596 -7.818 -18.613 224 2HB ASN 28 2HB ASN 28 -7.122 -6.146 -18.444 225 1HD2 ASN 28 2HD2 ASN 28 -6.640 -6.090 -16.251 226 2HD2 ASN 28 1HD2 ASN 28 -7.604 -6.930 -15.071 227 H GLU 29 H GLU 29 -8.610 -5.270 -17.992 228 HA GLU 29 HA GLU 29 -11.420 -4.737 -18.555 229 1HB GLU 29 1HB GLU 29 -9.555 -3.235 -16.719 230 2HB GLU 29 2HB GLU 29 -11.302 -3.064 -16.799 231 1HG GLU 29 1HG GLU 29 -11.417 -5.510 -16.141 232 2HG GLU 29 2HG GLU 29 -9.702 -5.371 -15.754 233 H VAL 30 H VAL 30 -8.605 -4.162 -19.911 234 HA VAL 30 HA VAL 30 -9.631 -1.977 -21.484 235 HB VAL 30 HB VAL 30 -8.443 -0.689 -19.851 236 1HG1 VAL 30 1HG1 VAL 30 -7.027 -2.414 -18.898 237 2HG1 VAL 30 2HG1 VAL 30 -6.062 -1.014 -19.362 238 3HG1 VAL 30 3HG1 VAL 30 -6.058 -2.459 -20.371 239 1HG2 VAL 30 1HG2 VAL 30 -8.199 0.080 -22.138 240 2HG2 VAL 30 2HG2 VAL 30 -6.784 -0.949 -22.357 241 3HG2 VAL 30 3HG2 VAL 30 -6.724 0.404 -21.229 242 HA PRO 31 HA PRO 31 -7.601 -4.764 -24.300 243 1HB PRO 31 1HB PRO 31 -8.930 -3.970 -26.495 244 2HB PRO 31 2HB PRO 31 -9.687 -4.972 -25.253 245 1HG PRO 31 1HG PRO 31 -9.988 -2.062 -25.789 246 2HG PRO 31 2HG PRO 31 -11.190 -3.229 -25.217 247 1HD PRO 31 1HD PRO 31 -9.784 -1.416 -23.624 248 2HD PRO 31 2HD PRO 31 -10.658 -2.844 -23.041 249 H VAL 32 H VAL 32 -6.138 -4.605 -26.013 250 HA VAL 32 HA VAL 32 -4.703 -2.109 -26.116 251 HB VAL 32 HB VAL 32 -4.153 -4.748 -27.463 252 1HG1 VAL 32 1HG1 VAL 32 -1.914 -3.891 -27.910 253 2HG1 VAL 32 2HG1 VAL 32 -2.365 -2.332 -27.220 254 3HG1 VAL 32 3HG1 VAL 32 -3.139 -2.899 -28.699 255 1HG2 VAL 32 1HG2 VAL 32 -2.407 -4.991 -25.750 256 2HG2 VAL 32 2HG2 VAL 32 -4.022 -4.893 -25.046 257 3HG2 VAL 32 3HG2 VAL 32 -2.954 -3.491 -25.000 258 H HIS 33 H HIS 33 -5.497 -0.610 -27.264 259 HA HIS 33 HA HIS 33 -5.549 -0.829 -30.101 260 1HB HIS 33 1HB HIS 33 -7.861 -0.237 -30.468 261 2HB HIS 33 2HB HIS 33 -7.777 -1.745 -29.584 262 HD1 HIS 33 HD1 HIS 33 -9.530 1.369 -29.628 263 HD2 HIS 33 HD2 HIS 33 -8.210 -1.224 -26.653 264 HE1 HIS 33 HE1 HIS 33 -10.881 1.935 -27.584 265 H GLN 34 H GLN 34 -6.546 1.390 -31.003 266 HA GLN 34 HA GLN 34 -6.382 3.653 -31.153 267 1HB GLN 34 1HB GLN 34 -6.246 3.472 -28.138 268 2HB GLN 34 2HB GLN 34 -6.240 5.000 -29.007 269 1HG GLN 34 1HG GLN 34 -8.424 4.474 -29.958 270 2HG GLN 34 2HG GLN 34 -8.432 2.940 -29.087 271 1HE2 GLN 34 2HE2 GLN 34 -8.738 6.391 -28.842 272 2HE2 GLN 34 1HE2 GLN 34 -9.341 6.418 -27.214 273 H VAL 35 H VAL 35 -4.780 5.477 -29.773 274 HA VAL 35 HA VAL 35 -2.677 6.137 -29.211 275 HB VAL 35 HB VAL 35 -1.774 3.342 -29.915 276 1HG1 VAL 35 1HG1 VAL 35 0.364 3.979 -28.880 277 2HG1 VAL 35 2HG1 VAL 35 -0.217 5.639 -28.727 278 3HG1 VAL 35 3HG1 VAL 35 0.021 4.930 -30.326 279 1HG2 VAL 35 1HG2 VAL 35 -1.440 3.136 -27.482 280 2HG2 VAL 35 2HG2 VAL 35 -3.128 3.417 -27.909 281 3HG2 VAL 35 3HG2 VAL 35 -2.149 4.737 -27.268 282 H SER 36 H SER 36 -2.153 7.641 -30.540 283 HA SER 36 HA SER 36 -1.356 6.992 -33.290 284 1HB SER 36 1HB SER 36 -2.181 9.636 -32.057 285 2HB SER 36 2HB SER 36 -1.801 9.371 -33.758 286 HG SER 36 HG SER 36 -3.940 9.143 -33.740 287 H TYR 37 H TYR 37 0.156 9.124 -33.940 288 HA TYR 37 HA TYR 37 2.706 8.467 -33.048 289 1HB TYR 37 1HB TYR 37 2.237 9.598 -35.178 290 2HB TYR 37 2HB TYR 37 1.733 11.044 -34.312 291 HD1 TYR 37 HD1 TYR 37 3.357 12.577 -33.413 292 HD2 TYR 37 HD2 TYR 37 4.603 8.974 -35.295 293 HE1 TYR 37 HE1 TYR 37 5.652 13.444 -33.537 294 HE2 TYR 37 HE2 TYR 37 6.906 9.824 -35.417 295 HH TYR 37 HH TYR 37 8.034 12.076 -35.470 296 H THR 38 H THR 38 0.749 11.324 -32.220 297 HA THR 38 HA THR 38 2.641 12.374 -30.379 298 HB THR 38 HB THR 38 -0.317 12.993 -30.490 299 HG1 THR 38 HG1 THR 38 1.819 14.207 -31.957 300 1HG2 THR 38 1HG2 THR 38 0.386 15.197 -29.665 301 2HG2 THR 38 2HG2 THR 38 2.059 14.645 -29.617 302 3HG2 THR 38 3HG2 THR 38 0.861 13.917 -28.549 303 H ASN 39 H ASN 39 -0.047 10.155 -30.089 304 HA ASN 39 HA ASN 39 -0.572 10.424 -27.347 305 1HB ASN 39 1HB ASN 39 -0.930 8.007 -29.129 306 2HB ASN 39 2HB ASN 39 -1.571 8.144 -27.495 307 1HD2 ASN 39 2HD2 ASN 39 -2.143 11.033 -27.915 308 2HD2 ASN 39 1HD2 ASN 39 -3.573 11.069 -28.880 309 H LEU 40 H LEU 40 1.802 8.473 -29.067 310 HA LEU 40 HA LEU 40 2.702 6.876 -26.976 311 1HB LEU 40 1HB LEU 40 4.215 8.133 -29.262 312 2HB LEU 40 2HB LEU 40 4.942 6.988 -28.152 313 HG LEU 40 HG LEU 40 2.546 6.375 -29.881 314 1HD1 LEU 40 1HD1 LEU 40 4.113 5.061 -31.224 315 2HD1 LEU 40 2HD1 LEU 40 5.451 5.673 -30.251 316 3HD1 LEU 40 3HD1 LEU 40 4.510 6.779 -31.254 317 1HD2 LEU 40 1HD2 LEU 40 4.350 4.611 -28.231 318 2HD2 LEU 40 2HD2 LEU 40 3.050 4.056 -29.285 319 3HD2 LEU 40 3HD2 LEU 40 2.676 5.024 -27.857 320 H ALA 41 H ALA 41 3.892 10.080 -27.949 321 HA ALA 41 HA ALA 41 5.718 10.396 -25.834 322 1HB ALA 41 1HB ALA 41 5.804 11.729 -27.889 323 2HB ALA 41 2HB ALA 41 5.768 12.750 -26.450 324 3HB ALA 41 3HB ALA 41 4.308 12.543 -27.420 325 H GLU 42 H GLU 42 2.322 11.316 -26.173 326 HA GLU 42 HA GLU 42 2.031 12.788 -23.817 327 1HB GLU 42 1HB GLU 42 0.040 11.021 -25.244 328 2HB GLU 42 2HB GLU 42 -0.381 12.141 -23.958 329 1HG GLU 42 1HG GLU 42 0.845 12.892 -26.603 330 2HG GLU 42 2HG GLU 42 -0.862 13.029 -26.189 331 H MET 43 H MET 43 1.624 9.308 -24.378 332 HA MET 43 HA MET 43 0.946 8.760 -21.670 333 1HB MET 43 1HB MET 43 1.619 7.059 -24.034 334 2HB MET 43 2HB MET 43 1.515 6.342 -22.429 335 1HG MET 43 1HG MET 43 -0.764 7.077 -22.196 336 2HG MET 43 2HG MET 43 -0.676 7.947 -23.726 337 1HE MET 43 1HE MET 43 0.771 6.108 -25.694 338 2HE MET 43 2HE MET 43 -0.781 6.853 -26.077 339 3HE MET 43 3HE MET 43 -0.534 5.131 -26.363 340 H VAL 44 H VAL 44 3.965 8.818 -23.468 341 HA VAL 44 HA VAL 44 5.602 7.693 -21.466 342 HB VAL 44 HB VAL 44 6.231 9.785 -23.559 343 1HG1 VAL 44 1HG1 VAL 44 8.142 8.308 -21.749 344 2HG1 VAL 44 2HG1 VAL 44 7.791 10.037 -21.705 345 3HG1 VAL 44 3HG1 VAL 44 8.600 9.338 -23.107 346 1HG2 VAL 44 1HG2 VAL 44 7.375 7.926 -24.685 347 2HG2 VAL 44 2HG2 VAL 44 5.659 7.593 -24.453 348 3HG2 VAL 44 3HG2 VAL 44 6.855 6.836 -23.399 349 H GLY 45 H GLY 45 4.395 10.960 -22.005 350 1HA GLY 45 1HA GLY 45 5.813 12.266 -19.962 351 2HA GLY 45 2HA GLY 45 4.282 12.795 -20.641 352 H GLU 46 H GLU 46 2.640 10.647 -19.888 353 HA GLU 46 HA GLU 46 2.301 11.298 -17.107 354 1HB GLU 46 1HB GLU 46 0.265 9.939 -17.224 355 2HB GLU 46 2HB GLU 46 0.333 11.125 -18.516 356 1HG GLU 46 1HG GLU 46 1.149 9.302 -20.020 357 2HG GLU 46 2HG GLU 46 0.812 8.168 -18.714 358 H MET 47 H MET 47 3.744 8.740 -18.907 359 HA MET 47 HA MET 47 3.885 6.792 -16.861 360 1HB MET 47 1HB MET 47 4.902 7.122 -19.488 361 2HB MET 47 2HB MET 47 6.281 6.818 -18.449 362 1HG MET 47 1HG MET 47 5.662 4.712 -19.183 363 2HG MET 47 2HG MET 47 4.961 4.818 -17.574 364 1HE MET 47 1HE MET 47 2.398 4.806 -17.056 365 2HE MET 47 2HE MET 47 1.163 5.174 -18.260 366 3HE MET 47 3HE MET 47 2.334 6.409 -17.795 367 H ASN 48 H ASN 48 5.730 9.655 -17.642 368 HA ASN 48 HA ASN 48 7.901 9.220 -15.895 369 1HB ASN 48 1HB ASN 48 6.777 11.627 -17.272 370 2HB ASN 48 2HB ASN 48 7.992 11.847 -16.021 371 1HD2 ASN 48 2HD2 ASN 48 7.883 9.088 -18.184 372 2HD2 ASN 48 1HD2 ASN 48 9.325 9.482 -19.052 373 H LYS 49 H LYS 49 4.765 10.811 -15.414 374 HA LYS 49 HA LYS 49 5.508 11.854 -12.861 375 1HB LYS 49 1HB LYS 49 3.146 12.496 -12.632 376 2HB LYS 49 2HB LYS 49 3.827 13.009 -14.163 377 1HG LYS 49 1HG LYS 49 1.800 12.240 -14.847 378 2HG LYS 49 2HG LYS 49 2.763 10.775 -15.029 379 1HD LYS 49 1HD LYS 49 1.999 10.068 -12.765 380 2HD LYS 49 2HD LYS 49 0.936 11.476 -12.734 381 1HE LYS 49 1HE LYS 49 0.852 9.281 -14.800 382 2HE LYS 49 2HE LYS 49 -0.223 9.397 -13.408 383 1HZ LYS 49 1HZ LYS 49 -1.153 11.401 -14.260 384 2HZ LYS 49 2HZ LYS 49 -1.175 10.258 -15.515 385 3HZ LYS 49 3HZ LYS 49 -0.008 11.493 -15.508 386 H LEU 50 H LEU 50 4.523 8.774 -13.896 387 HA LEU 50 HA LEU 50 3.381 7.984 -11.362 388 1HB LEU 50 1HB LEU 50 4.121 6.460 -13.850 389 2HB LEU 50 2HB LEU 50 3.542 5.665 -12.398 390 HG LEU 50 HG LEU 50 2.001 7.742 -13.956 391 1HD1 LEU 50 1HD1 LEU 50 0.594 5.871 -14.654 392 2HD1 LEU 50 2HD1 LEU 50 1.678 4.748 -13.834 393 3HD1 LEU 50 3HD1 LEU 50 2.255 5.675 -15.218 394 1HD2 LEU 50 1HD2 LEU 50 1.439 7.723 -11.584 395 2HD2 LEU 50 2HD2 LEU 50 1.195 5.977 -11.645 396 3HD2 LEU 50 3HD2 LEU 50 0.122 7.050 -12.546 397 H LEU 51 H LEU 51 6.492 7.931 -12.910 398 HA LEU 51 HA LEU 51 7.611 6.528 -10.570 399 1HB LEU 51 1HB LEU 51 8.653 6.796 -13.389 400 2HB LEU 51 2HB LEU 51 9.595 6.135 -12.066 401 HG LEU 51 HG LEU 51 6.988 4.970 -13.061 402 1HD1 LEU 51 1HD1 LEU 51 9.829 4.060 -13.530 403 2HD1 LEU 51 2HD1 LEU 51 8.757 4.772 -14.737 404 3HD1 LEU 51 3HD1 LEU 51 8.369 3.203 -14.032 405 1HD2 LEU 51 1HD2 LEU 51 9.040 3.931 -11.109 406 2HD2 LEU 51 2HD2 LEU 51 7.621 3.050 -11.679 407 3HD2 LEU 51 3HD2 LEU 51 7.422 4.511 -10.710 408 H GLU 52 H GLU 52 6.900 9.419 -11.116 409 HA GLU 52 HA GLU 52 9.180 10.964 -11.496 410 1HB GLU 52 1HB GLU 52 6.517 11.422 -11.301 411 2HB GLU 52 2HB GLU 52 7.067 12.080 -9.769 412 1HG GLU 52 1HG GLU 52 8.537 12.872 -12.209 413 2HG GLU 52 2HG GLU 52 6.917 13.520 -11.968 414 HA PRO 53 HA PRO 53 9.883 11.315 -6.837 415 1HB PRO 53 1HB PRO 53 7.969 9.976 -5.209 416 2HB PRO 53 2HB PRO 53 8.138 11.715 -5.457 417 1HG PRO 53 1HG PRO 53 5.985 10.179 -6.296 418 2HG PRO 53 2HG PRO 53 6.409 11.777 -6.931 419 1HD PRO 53 1HD PRO 53 6.982 9.069 -8.068 420 2HD PRO 53 2HD PRO 53 6.530 10.573 -8.902 421 H SER 54 H SER 54 9.400 8.475 -8.401 422 HA SER 54 HA SER 54 10.108 6.608 -6.337 423 1HB SER 54 1HB SER 54 8.671 5.934 -8.211 424 2HB SER 54 2HB SER 54 9.979 6.264 -9.342 425 HG SER 54 HG SER 54 9.518 4.064 -7.864 426 H GLN 55 H GLN 55 12.027 5.299 -6.335 427 HA GLN 55 HA GLN 55 14.378 6.909 -6.765 428 1HB GLN 55 1HB GLN 55 13.795 5.468 -4.710 429 2HB GLN 55 2HB GLN 55 14.270 4.101 -5.703 430 1HG GLN 55 1HG GLN 55 16.186 4.531 -4.590 431 2HG GLN 55 2HG GLN 55 16.446 5.460 -6.059 432 1HE2 GLN 55 2HE2 GLN 55 14.296 6.370 -3.450 433 2HE2 GLN 55 1HE2 GLN 55 15.209 7.743 -2.914 434 H VAL 56 H VAL 56 12.707 4.406 -8.393 435 HA VAL 56 HA VAL 56 14.798 2.896 -9.455 436 HB VAL 56 HB VAL 56 13.228 2.230 -11.260 437 1HG1 VAL 56 1HG1 VAL 56 13.227 1.068 -9.124 438 2HG1 VAL 56 2HG1 VAL 56 11.598 1.160 -9.795 439 3HG1 VAL 56 3HG1 VAL 56 12.070 2.235 -8.479 440 1HG2 VAL 56 1HG2 VAL 56 11.358 4.194 -9.939 441 2HG2 VAL 56 2HG2 VAL 56 10.921 3.030 -11.190 442 3HG2 VAL 56 3HG2 VAL 56 12.044 4.339 -11.561 443 H HIS 57 H HIS 57 13.423 5.921 -10.563 444 HA HIS 57 HA HIS 57 14.053 7.407 -12.168 445 1HB HIS 57 1HB HIS 57 16.718 6.101 -11.621 446 2HB HIS 57 2HB HIS 57 16.528 7.466 -12.710 447 HD1 HIS 57 HD1 HIS 57 18.267 8.578 -10.999 448 HD2 HIS 57 HD2 HIS 57 14.422 7.914 -9.550 449 HE1 HIS 57 HE1 HIS 57 18.052 10.025 -8.948 450 H LEU 58 H LEU 58 12.683 5.957 -13.628 451 HA LEU 58 HA LEU 58 14.374 4.829 -15.740 452 1HB LEU 58 1HB LEU 58 11.567 4.356 -14.915 453 2HB LEU 58 2HB LEU 58 11.931 4.220 -16.625 454 HG LEU 58 HG LEU 58 13.737 2.577 -16.033 455 1HD1 LEU 58 1HD1 LEU 58 13.605 1.490 -13.847 456 2HD1 LEU 58 2HD1 LEU 58 12.432 2.698 -13.324 457 3HD1 LEU 58 3HD1 LEU 58 14.081 3.183 -13.717 458 1HD2 LEU 58 1HD2 LEU 58 10.907 1.899 -15.265 459 2HD2 LEU 58 2HD2 LEU 58 12.174 0.730 -15.632 460 3HD2 LEU 58 3HD2 LEU 58 11.606 1.836 -16.883 461 H LYS 59 H LYS 59 14.600 5.714 -17.652 462 HA LYS 59 HA LYS 59 13.037 8.134 -18.262 463 1HB LYS 59 1HB LYS 59 15.897 7.455 -18.997 464 2HB LYS 59 2HB LYS 59 15.037 8.896 -19.524 465 1HG LYS 59 1HG LYS 59 15.518 9.957 -17.640 466 2HG LYS 59 2HG LYS 59 14.887 8.630 -16.665 467 1HD LYS 59 1HD LYS 59 17.139 8.856 -16.030 468 2HD LYS 59 2HD LYS 59 17.100 7.457 -17.100 469 1HE LYS 59 1HE LYS 59 17.940 8.793 -18.931 470 2HE LYS 59 2HE LYS 59 17.857 10.251 -17.941 471 1HZ LYS 59 1HZ LYS 59 19.706 7.952 -17.650 472 2HZ LYS 59 2HZ LYS 59 19.460 9.063 -16.398 473 3HZ LYS 59 3HZ LYS 59 20.088 9.587 -17.883 474 H PHE 60 H PHE 60 12.165 8.324 -20.308 475 HA PHE 60 HA PHE 60 12.406 5.924 -22.012 476 1HB PHE 60 1HB PHE 60 9.903 7.564 -21.576 477 2HB PHE 60 2HB PHE 60 10.041 6.095 -22.533 478 HD1 PHE 60 HD1 PHE 60 10.454 3.915 -21.382 479 HD2 PHE 60 HD2 PHE 60 9.558 7.483 -19.243 480 HE1 PHE 60 HE1 PHE 60 9.860 2.576 -19.408 481 HE2 PHE 60 HE2 PHE 60 8.964 6.148 -17.261 482 HZ PHE 60 HZ PHE 60 9.117 3.689 -17.345 483 H GLU 61 H GLU 61 12.788 6.278 -24.159 484 HA GLU 61 HA GLU 61 12.333 9.009 -25.170 485 1HB GLU 61 1HB GLU 61 14.673 7.191 -25.766 486 2HB GLU 61 2HB GLU 61 14.322 8.674 -26.642 487 1HG GLU 61 1HG GLU 61 14.558 9.917 -24.498 488 2HG GLU 61 2HG GLU 61 15.088 8.410 -23.744 489 H LEU 62 H LEU 62 11.259 9.147 -27.055 490 HA LEU 62 HA LEU 62 10.519 6.678 -28.423 491 1HB LEU 62 1HB LEU 62 8.730 8.270 -27.943 492 2HB LEU 62 2HB LEU 62 9.580 9.524 -28.826 493 HG LEU 62 HG LEU 62 9.336 8.118 -30.908 494 1HD1 LEU 62 1HD1 LEU 62 7.476 6.524 -29.146 495 2HD1 LEU 62 2HD1 LEU 62 9.005 5.964 -29.827 496 3HD1 LEU 62 3HD1 LEU 62 7.656 6.353 -30.892 497 1HD2 LEU 62 1HD2 LEU 62 7.864 10.011 -30.455 498 2HD2 LEU 62 2HD2 LEU 62 6.793 8.970 -29.516 499 3HD2 LEU 62 3HD2 LEU 62 6.983 8.705 -31.250 500 H HIS 63 H HIS 63 12.399 6.126 -29.466 501 HA HIS 63 HA HIS 63 13.528 8.086 -31.322 502 1HB HIS 63 1HB HIS 63 14.579 5.572 -30.089 503 2HB HIS 63 2HB HIS 63 15.245 6.116 -31.624 504 HD1 HIS 63 HD1 HIS 63 17.106 7.780 -31.470 505 HD2 HIS 63 HD2 HIS 63 14.833 7.620 -27.984 506 HE1 HIS 63 HE1 HIS 63 18.290 9.268 -29.813 507 H ASP 64 H ASP 64 13.358 7.893 -33.462 508 HA ASP 64 HA ASP 64 11.762 5.693 -34.510 509 1HB ASP 64 1HB ASP 64 11.455 7.003 -36.462 510 2HB ASP 64 2HB ASP 64 11.372 8.142 -35.134 511 H LYS 65 H LYS 65 12.574 4.114 -35.850 512 HA LYS 65 HA LYS 65 15.498 3.958 -35.757 513 1HB LYS 65 1HB LYS 65 14.147 2.188 -34.652 514 2HB LYS 65 2HB LYS 65 13.502 1.734 -36.219 515 1HG LYS 65 1HG LYS 65 15.672 1.045 -36.973 516 2HG LYS 65 2HG LYS 65 16.425 1.678 -35.506 517 1HD LYS 65 1HD LYS 65 15.180 0.067 -34.160 518 2HD LYS 65 2HD LYS 65 14.407 -0.565 -35.615 519 1HE LYS 65 1HE LYS 65 16.558 -1.296 -36.465 520 2HE LYS 65 2HE LYS 65 17.371 -0.592 -35.067 521 1HZ LYS 65 1HZ LYS 65 16.357 -2.149 -33.633 522 2HZ LYS 65 2HZ LYS 65 16.970 -3.042 -34.942 523 3HZ LYS 65 3HZ LYS 65 15.309 -2.711 -34.847 524 H LEU 66 H LEU 66 13.755 1.923 -37.978 525 HA LEU 66 HA LEU 66 15.183 3.262 -40.173 526 1HB LEU 66 1HB LEU 66 15.640 0.854 -39.785 527 2HB LEU 66 2HB LEU 66 13.944 0.506 -40.067 528 HG LEU 66 HG LEU 66 14.192 1.374 -42.388 529 1HD1 LEU 66 1HD1 LEU 66 16.080 2.863 -42.031 530 2HD1 LEU 66 2HD1 LEU 66 16.456 1.682 -43.284 531 3HD1 LEU 66 3HD1 LEU 66 17.116 1.487 -41.663 532 1HD2 LEU 66 1HD2 LEU 66 15.440 -0.553 -43.237 533 2HD2 LEU 66 2HD2 LEU 66 14.337 -1.013 -41.939 534 3HD2 LEU 66 3HD2 LEU 66 16.065 -0.860 -41.616 535 H ASN 67 H ASN 67 12.101 1.695 -39.417 536 HA ASN 67 HA ASN 67 10.713 3.877 -40.783 537 1HB ASN 67 1HB ASN 67 11.029 1.963 -42.423 538 2HB ASN 67 2HB ASN 67 10.008 0.993 -41.368 539 1HD2 ASN 67 2HD2 ASN 67 8.425 0.729 -42.910 540 2HD2 ASN 67 1HD2 ASN 67 7.376 2.022 -43.392 541 H GLU 68 H GLU 68 11.194 2.306 -38.079 542 HA GLU 68 HA GLU 68 8.362 2.223 -37.284 543 1HB GLU 68 1HB GLU 68 10.297 0.734 -35.621 544 2HB GLU 68 2HB GLU 68 8.670 0.295 -36.113 545 1HG GLU 68 1HG GLU 68 9.840 -1.285 -37.234 546 2HG GLU 68 2HG GLU 68 9.845 -0.015 -38.454 547 H TYR 69 H TYR 69 7.995 2.675 -35.001 548 HA TYR 69 HA TYR 69 10.099 4.203 -33.676 549 1HB TYR 69 1HB TYR 69 8.321 5.810 -32.833 550 2HB TYR 69 2HB TYR 69 8.799 5.995 -34.506 551 HD1 TYR 69 HD1 TYR 69 6.585 3.187 -34.014 552 HD2 TYR 69 HD2 TYR 69 6.700 7.406 -34.534 553 HE1 TYR 69 HE1 TYR 69 4.223 3.166 -34.688 554 HE2 TYR 69 HE2 TYR 69 4.340 7.392 -35.208 555 HH TYR 69 HH TYR 69 2.669 5.944 -36.046 556 H TYR 70 H TYR 70 10.117 4.019 -31.435 557 HA TYR 70 HA TYR 70 8.002 2.591 -30.098 558 1HB TYR 70 1HB TYR 70 9.611 0.772 -29.311 559 2HB TYR 70 2HB TYR 70 9.032 0.650 -30.968 560 HD1 TYR 70 HD1 TYR 70 10.568 0.246 -32.642 561 HD2 TYR 70 HD2 TYR 70 11.896 2.074 -29.037 562 HE1 TYR 70 HE1 TYR 70 12.887 0.150 -33.454 563 HE2 TYR 70 HE2 TYR 70 14.213 1.982 -29.835 564 HH TYR 70 HH TYR 70 15.546 0.628 -31.414 565 H VAL 71 H VAL 71 8.677 2.110 -27.765 566 HA VAL 71 HA VAL 71 9.982 4.547 -26.800 567 HB VAL 71 HB VAL 71 8.249 2.589 -25.281 568 1HG1 VAL 71 1HG1 VAL 71 9.265 5.323 -24.495 569 2HG1 VAL 71 2HG1 VAL 71 9.833 3.785 -23.846 570 3HG1 VAL 71 3HG1 VAL 71 8.176 4.310 -23.546 571 1HG2 VAL 71 1HG2 VAL 71 7.584 5.305 -26.420 572 2HG2 VAL 71 2HG2 VAL 71 6.519 4.319 -25.416 573 3HG2 VAL 71 3HG2 VAL 71 6.994 3.754 -27.018 574 H LYS 72 H LYS 72 12.070 4.303 -26.458 575 HA LYS 72 HA LYS 72 13.270 1.809 -25.650 576 1HB LYS 72 1HB LYS 72 14.504 4.554 -25.652 577 2HB LYS 72 2HB LYS 72 15.340 3.009 -25.691 578 1HG LYS 72 1HG LYS 72 14.395 2.578 -27.916 579 2HG LYS 72 2HG LYS 72 13.629 4.170 -27.875 580 1HD LYS 72 1HD LYS 72 15.667 4.380 -29.091 581 2HD LYS 72 2HD LYS 72 15.891 5.161 -27.529 582 1HE LYS 72 1HE LYS 72 17.788 3.943 -27.515 583 2HE LYS 72 2HE LYS 72 16.719 2.696 -26.908 584 1HZ LYS 72 1HZ LYS 72 16.475 1.858 -29.180 585 2HZ LYS 72 2HZ LYS 72 18.090 1.833 -28.669 586 3HZ LYS 72 3HZ LYS 72 17.561 3.040 -29.734 587 H VAL 73 H VAL 73 13.452 1.116 -23.543 588 HA VAL 73 HA VAL 73 12.855 3.106 -21.465 589 HB VAL 73 HB VAL 73 13.028 0.096 -21.264 590 1HG1 VAL 73 1HG1 VAL 73 12.055 0.379 -19.046 591 2HG1 VAL 73 2HG1 VAL 73 12.095 2.130 -19.239 592 3HG1 VAL 73 3HG1 VAL 73 13.602 1.218 -19.160 593 1HG2 VAL 73 1HG2 VAL 73 10.654 1.955 -21.341 594 2HG2 VAL 73 2HG2 VAL 73 10.579 0.219 -21.037 595 3HG2 VAL 73 3HG2 VAL 73 11.136 0.819 -22.601 596 H ILE 74 H ILE 74 14.487 4.071 -20.548 597 HA ILE 74 HA ILE 74 17.077 2.678 -20.395 598 HB ILE 74 HB ILE 74 16.532 5.652 -20.375 599 1HG1 ILE 74 1HG1 ILE 74 17.756 3.937 -22.545 600 2HG1 ILE 74 2HG1 ILE 74 16.096 4.522 -22.557 601 1HG2 ILE 74 1HG2 ILE 74 19.129 4.115 -20.437 602 2HG2 ILE 74 2HG2 ILE 74 18.520 5.096 -19.105 603 3HG2 ILE 74 3HG2 ILE 74 18.976 5.862 -20.626 604 1HD1 ILE 74 1HD1 ILE 74 18.569 6.233 -22.593 605 2HD1 ILE 74 2HD1 ILE 74 16.904 6.817 -22.611 606 3HD1 ILE 74 3HD1 ILE 74 17.526 5.876 -23.968 607 H GLU 75 H GLU 75 17.362 1.871 -18.443 608 HA GLU 75 HA GLU 75 16.189 3.018 -16.079 609 1HB GLU 75 1HB GLU 75 16.523 0.585 -16.327 610 2HB GLU 75 2HB GLU 75 18.257 0.831 -16.402 611 1HG GLU 75 1HG GLU 75 18.081 1.861 -14.100 612 2HG GLU 75 2HG GLU 75 16.427 1.246 -14.056 613 H ASP 76 H ASP 76 17.034 4.768 -15.107 614 HA ASP 76 HA ASP 76 19.484 5.921 -15.917 615 1HB ASP 76 1HB ASP 76 17.627 7.239 -15.036 616 2HB ASP 76 2HB ASP 76 17.811 6.469 -13.467 617 H SER 77 H SER 77 18.731 3.626 -13.447 618 HA SER 77 HA SER 77 20.951 3.981 -11.763 619 1HB SER 77 1HB SER 77 19.430 1.432 -12.346 620 2HB SER 77 2HB SER 77 20.432 1.748 -10.926 621 HG SER 77 HG SER 77 17.874 2.260 -11.203 622 H THR 78 H THR 78 20.575 2.302 -14.811 623 HA THR 78 HA THR 78 23.407 1.499 -14.696 624 HB THR 78 HB THR 78 22.614 0.086 -16.772 625 HG1 THR 78 HG1 THR 78 20.184 -0.063 -15.377 626 1HG2 THR 78 1HG2 THR 78 23.441 -0.876 -14.678 627 2HG2 THR 78 2HG2 THR 78 22.054 -1.782 -15.286 628 3HG2 THR 78 3HG2 THR 78 21.854 -0.655 -13.943 629 H ASN 79 H ASN 79 21.033 3.366 -16.331 630 HA ASN 79 HA ASN 79 21.060 4.916 -17.944 631 1HB ASN 79 1HB ASN 79 23.865 4.980 -16.988 632 2HB ASN 79 2HB ASN 79 23.526 5.780 -18.524 633 1HD2 ASN 79 2HD2 ASN 79 24.293 6.961 -15.983 634 2HD2 ASN 79 1HD2 ASN 79 23.015 8.046 -15.541 635 H GLU 80 H GLU 80 20.976 2.261 -18.761 636 HA GLU 80 HA GLU 80 21.972 2.701 -21.483 637 1HB GLU 80 1HB GLU 80 22.500 0.355 -21.770 638 2HB GLU 80 2HB GLU 80 23.413 0.994 -20.414 639 1HG GLU 80 1HG GLU 80 22.039 -0.114 -18.842 640 2HG GLU 80 2HG GLU 80 20.834 -0.504 -20.068 641 H VAL 81 H VAL 81 20.710 1.518 -23.106 642 HA VAL 81 HA VAL 81 17.900 1.593 -22.473 643 HB VAL 81 HB VAL 81 19.217 0.673 -25.036 644 1HG1 VAL 81 1HG1 VAL 81 17.073 1.119 -26.067 645 2HG1 VAL 81 2HG1 VAL 81 16.410 1.646 -24.520 646 3HG1 VAL 81 3HG1 VAL 81 16.883 -0.038 -24.750 647 1HG2 VAL 81 1HG2 VAL 81 18.239 3.417 -24.260 648 2HG2 VAL 81 2HG2 VAL 81 18.751 2.941 -25.878 649 3HG2 VAL 81 3HG2 VAL 81 19.911 2.939 -24.551 650 H ILE 82 H ILE 82 17.307 -0.035 -21.161 651 HA ILE 82 HA ILE 82 18.451 -2.656 -21.370 652 HB ILE 82 HB ILE 82 16.792 -3.265 -19.595 653 1HG1 ILE 82 1HG1 ILE 82 16.125 -0.313 -19.698 654 2HG1 ILE 82 2HG1 ILE 82 15.055 -1.608 -20.212 655 1HG2 ILE 82 1HG2 ILE 82 19.047 -2.532 -19.051 656 2HG2 ILE 82 2HG2 ILE 82 17.898 -1.959 -17.841 657 3HG2 ILE 82 3HG2 ILE 82 18.519 -0.850 -19.065 658 1HD1 ILE 82 1HD1 ILE 82 16.066 -1.154 -17.417 659 2HD1 ILE 82 2HD1 ILE 82 15.002 -2.465 -17.925 660 3HD1 ILE 82 3HD1 ILE 82 14.448 -0.792 -18.016 661 H ARG 83 H ARG 83 15.700 -1.067 -22.710 662 HA ARG 83 HA ARG 83 15.030 -3.369 -24.264 663 1HB ARG 83 1HB ARG 83 12.791 -3.721 -23.458 664 2HB ARG 83 2HB ARG 83 13.939 -3.914 -22.148 665 1HG ARG 83 1HG ARG 83 13.437 -1.584 -21.462 666 2HG ARG 83 2HG ARG 83 12.121 -1.600 -22.639 667 1HD ARG 83 1HD ARG 83 11.115 -3.489 -21.531 668 2HD ARG 83 2HD ARG 83 12.453 -3.573 -20.391 669 HE ARG 83 HE ARG 83 11.646 -1.168 -19.838 670 1HH1 ARG 83 1HH1 ARG 83 9.618 -3.893 -20.644 671 2HH1 ARG 83 2HH1 ARG 83 8.299 -3.375 -19.648 672 1HH2 ARG 83 1HH2 ARG 83 9.926 -0.478 -18.509 673 2HH2 ARG 83 2HH2 ARG 83 8.476 -1.420 -18.426 674 H GLU 84 H GLU 84 13.469 -2.969 -25.857 675 HA GLU 84 HA GLU 84 12.691 -0.152 -26.199 676 1HB GLU 84 1HB GLU 84 13.441 -2.097 -28.396 677 2HB GLU 84 2HB GLU 84 12.989 -0.410 -28.609 678 1HG GLU 84 1HG GLU 84 14.983 0.305 -27.431 679 2HG GLU 84 2HG GLU 84 15.419 -1.373 -27.116 680 H ILE 85 H ILE 85 10.569 -0.108 -25.789 681 HA ILE 85 HA ILE 85 8.965 -2.489 -26.221 682 HB ILE 85 HB ILE 85 8.200 0.179 -25.030 683 1HG1 ILE 85 1HG1 ILE 85 8.849 -2.459 -23.698 684 2HG1 ILE 85 2HG1 ILE 85 9.875 -1.029 -23.693 685 1HG2 ILE 85 1HG2 ILE 85 6.283 -0.994 -25.971 686 2HG2 ILE 85 2HG2 ILE 85 6.204 -0.966 -24.208 687 3HG2 ILE 85 3HG2 ILE 85 6.702 -2.436 -25.048 688 1HD1 ILE 85 1HD1 ILE 85 8.721 -1.217 -21.590 689 2HD1 ILE 85 2HD1 ILE 85 7.164 -1.297 -22.414 690 3HD1 ILE 85 3HD1 ILE 85 8.115 0.186 -22.469 691 HA PRO 86 HA PRO 86 7.529 -0.840 -30.145 692 1HB PRO 86 1HB PRO 86 5.978 -2.976 -30.765 693 2HB PRO 86 2HB PRO 86 7.731 -2.985 -30.976 694 1HG PRO 86 1HG PRO 86 6.084 -4.131 -28.753 695 2HG PRO 86 2HG PRO 86 7.479 -4.837 -29.592 696 1HD PRO 86 1HD PRO 86 7.677 -3.646 -27.164 697 2HD PRO 86 2HD PRO 86 8.994 -3.624 -28.354 698 HA PRO 87 HA PRO 87 3.877 1.186 -28.834 699 1HB PRO 87 1HB PRO 87 2.496 1.280 -31.238 700 2HB PRO 87 2HB PRO 87 3.740 2.422 -30.726 701 1HG PRO 87 1HG PRO 87 3.961 0.059 -32.541 702 2HG PRO 87 2HG PRO 87 4.744 1.646 -32.661 703 1HD PRO 87 1HD PRO 87 6.078 -0.512 -31.802 704 2HD PRO 87 2HD PRO 87 6.377 1.097 -31.108 705 H LYS 88 H LYS 88 3.585 -1.870 -30.485 706 HA LYS 88 HA LYS 88 0.760 -2.110 -29.893 707 1HB LYS 88 1HB LYS 88 0.957 -4.327 -30.969 708 2HB LYS 88 2HB LYS 88 1.543 -3.019 -31.987 709 1HG LYS 88 1HG LYS 88 3.866 -3.602 -31.229 710 2HG LYS 88 2HG LYS 88 3.173 -5.037 -30.467 711 1HD LYS 88 1HD LYS 88 2.992 -4.334 -33.397 712 2HD LYS 88 2HD LYS 88 4.076 -5.534 -32.695 713 1HE LYS 88 1HE LYS 88 1.069 -5.635 -32.528 714 2HE LYS 88 2HE LYS 88 2.029 -6.499 -33.726 715 1HZ LYS 88 1HZ LYS 88 3.093 -7.733 -31.966 716 2HZ LYS 88 2HZ LYS 88 1.410 -7.890 -31.827 717 3HZ LYS 88 3HZ LYS 88 2.253 -6.856 -30.783 718 H ARG 89 H ARG 89 3.615 -2.682 -28.181 719 HA ARG 89 HA ARG 89 2.150 -4.452 -26.325 720 1HB ARG 89 1HB ARG 89 5.107 -4.015 -26.705 721 2HB ARG 89 2HB ARG 89 4.456 -4.751 -25.250 722 1HG ARG 89 1HG ARG 89 3.320 -6.405 -26.890 723 2HG ARG 89 2HG ARG 89 4.532 -5.817 -28.036 724 1HD ARG 89 1HD ARG 89 6.286 -6.349 -26.362 725 2HD ARG 89 2HD ARG 89 5.049 -7.041 -25.336 726 HE ARG 89 HE ARG 89 4.723 -8.430 -27.613 727 1HH1 ARG 89 1HH1 ARG 89 7.559 -7.661 -25.707 728 2HH1 ARG 89 2HH1 ARG 89 8.352 -9.176 -26.046 729 1HH2 ARG 89 1HH2 ARG 89 5.769 -10.413 -28.077 730 2HH2 ARG 89 2HH2 ARG 89 7.338 -10.729 -27.404 731 H TRP 90 H TRP 90 2.819 -1.337 -26.899 732 HA TRP 90 HA TRP 90 3.687 -0.357 -24.398 733 1HB TRP 90 1HB TRP 90 3.971 0.976 -26.382 734 2HB TRP 90 2HB TRP 90 2.239 0.965 -26.693 735 HD1 TRP 90 HD1 TRP 90 0.857 2.887 -25.693 736 HE1 TRP 90 HE1 TRP 90 1.371 4.854 -24.109 737 HE3 TRP 90 HE3 TRP 90 5.558 1.533 -24.203 738 HZ2 TRP 90 HZ2 TRP 90 3.483 5.708 -22.438 739 HZ3 TRP 90 HZ3 TRP 90 6.757 2.977 -22.611 740 HH2 TRP 90 HH2 TRP 90 5.738 5.021 -21.747 741 H LEU 91 H LEU 91 0.534 -0.945 -25.809 742 HA LEU 91 HA LEU 91 -1.017 0.354 -23.841 743 1HB LEU 91 1HB LEU 91 -1.631 -1.895 -25.754 744 2HB LEU 91 2HB LEU 91 -2.831 -1.238 -24.662 745 HG LEU 91 HG LEU 91 -3.084 -0.317 -26.898 746 1HD1 LEU 91 1HD1 LEU 91 -3.736 1.060 -25.040 747 2HD1 LEU 91 2HD1 LEU 91 -3.076 2.052 -26.339 748 3HD1 LEU 91 3HD1 LEU 91 -2.099 1.703 -24.912 749 1HD2 LEU 91 1HD2 LEU 91 -0.314 0.799 -26.559 750 2HD2 LEU 91 2HD2 LEU 91 -1.420 1.149 -27.889 751 3HD2 LEU 91 3HD2 LEU 91 -0.788 -0.483 -27.673 752 H ASP 92 H ASP 92 0.128 -2.961 -24.204 753 HA ASP 92 HA ASP 92 -1.035 -4.088 -21.917 754 1HB ASP 92 1HB ASP 92 1.708 -4.825 -22.946 755 2HB ASP 92 2HB ASP 92 0.511 -5.873 -22.197 756 H PHE 93 H PHE 93 2.101 -2.522 -22.428 757 HA PHE 93 HA PHE 93 3.091 -2.782 -19.816 758 1HB PHE 93 1HB PHE 93 4.564 -2.193 -21.643 759 2HB PHE 93 2HB PHE 93 3.666 -0.710 -21.947 760 HD1 PHE 93 HD1 PHE 93 5.390 -2.373 -19.076 761 HD2 PHE 93 HD2 PHE 93 4.635 1.226 -21.220 762 HE1 PHE 93 HE1 PHE 93 6.876 -1.156 -17.547 763 HE2 PHE 93 HE2 PHE 93 6.127 2.452 -19.691 764 HZ PHE 93 HZ PHE 93 7.250 1.258 -17.852 765 H TYR 94 H TYR 94 1.177 -0.241 -21.341 766 HA TYR 94 HA TYR 94 1.219 1.653 -19.311 767 1HB TYR 94 1HB TYR 94 0.314 2.048 -21.575 768 2HB TYR 94 2HB TYR 94 -1.053 1.005 -21.206 769 HD1 TYR 94 HD1 TYR 94 0.640 4.101 -20.010 770 HD2 TYR 94 HD2 TYR 94 -3.003 1.937 -20.356 771 HE1 TYR 94 HE1 TYR 94 -0.588 6.034 -19.117 772 HE2 TYR 94 HE2 TYR 94 -4.240 3.866 -19.467 773 HH TYR 94 HH TYR 94 -2.708 6.967 -18.991 774 H ALA 95 H ALA 95 -0.959 -1.101 -19.790 775 HA ALA 95 HA ALA 95 -2.608 -0.583 -17.551 776 1HB ALA 95 1HB ALA 95 -2.059 -3.211 -18.931 777 2HB ALA 95 2HB ALA 95 -3.295 -2.040 -19.392 778 3HB ALA 95 3HB ALA 95 -3.403 -2.868 -17.840 779 H ALA 96 H ALA 96 0.098 -2.850 -18.008 780 HA ALA 96 HA ALA 96 0.164 -4.009 -15.508 781 1HB ALA 96 1HB ALA 96 1.514 -4.752 -17.408 782 2HB ALA 96 2HB ALA 96 2.488 -4.547 -15.954 783 3HB ALA 96 3HB ALA 96 2.544 -3.332 -17.230 784 H MET 97 H MET 97 1.606 -0.947 -16.527 785 HA MET 97 HA MET 97 3.030 -0.510 -14.112 786 1HB MET 97 1HB MET 97 3.797 0.670 -16.013 787 2HB MET 97 2HB MET 97 2.201 1.331 -16.348 788 1HG MET 97 1HG MET 97 2.317 2.773 -14.461 789 2HG MET 97 2HG MET 97 3.784 1.990 -13.881 790 1HE MET 97 1HE MET 97 6.154 2.424 -14.767 791 2HE MET 97 2HE MET 97 6.510 3.221 -16.298 792 3HE MET 97 3HE MET 97 5.660 1.679 -16.287 793 H THR 98 H THR 98 -0.097 0.769 -15.286 794 HA THR 98 HA THR 98 -0.418 2.424 -12.976 795 HB THR 98 HB THR 98 -1.426 3.029 -15.142 796 HG1 THR 98 HG1 THR 98 -2.937 2.795 -12.791 797 1HG2 THR 98 1HG2 THR 98 -3.297 0.718 -14.605 798 2HG2 THR 98 2HG2 THR 98 -2.123 0.828 -15.917 799 3HG2 THR 98 3HG2 THR 98 -3.503 1.925 -15.872 800 H GLU 99 H GLU 99 -1.331 -0.866 -13.703 801 HA GLU 99 HA GLU 99 -3.250 -1.116 -11.629 802 1HB GLU 99 1HB GLU 99 -1.478 -3.208 -12.901 803 2HB GLU 99 2HB GLU 99 -2.818 -3.558 -11.814 804 1HG GLU 99 1HG GLU 99 -4.338 -2.436 -13.418 805 2HG GLU 99 2HG GLU 99 -2.976 -2.258 -14.523 806 H PHE 100 H PHE 100 0.242 -1.425 -11.752 807 HA PHE 100 HA PHE 100 0.424 -2.191 -8.972 808 1HB PHE 100 1HB PHE 100 2.103 -3.060 -10.492 809 2HB PHE 100 2HB PHE 100 2.562 -1.430 -10.969 810 HD1 PHE 100 HD1 PHE 100 2.271 -3.523 -7.897 811 HD2 PHE 100 HD2 PHE 100 4.406 -0.485 -9.975 812 HE1 PHE 100 HE1 PHE 100 3.941 -3.460 -6.091 813 HE2 PHE 100 HE2 PHE 100 6.080 -0.421 -8.177 814 HZ PHE 100 HZ PHE 100 5.849 -1.911 -6.229 815 H LEU 101 H LEU 101 1.434 0.665 -10.872 816 HA LEU 101 HA LEU 101 2.229 2.083 -8.524 817 1HB LEU 101 1HB LEU 101 1.881 2.979 -11.379 818 2HB LEU 101 2HB LEU 101 2.457 4.030 -10.098 819 HG LEU 101 HG LEU 101 3.820 1.499 -11.033 820 1HD1 LEU 101 1HD1 LEU 101 5.532 3.017 -11.890 821 2HD1 LEU 101 2HD1 LEU 101 4.549 4.400 -11.407 822 3HD1 LEU 101 3HD1 LEU 101 3.973 3.304 -12.663 823 1HD2 LEU 101 1HD2 LEU 101 5.653 2.233 -9.572 824 2HD2 LEU 101 2HD2 LEU 101 4.183 1.891 -8.660 825 3HD2 LEU 101 3HD2 LEU 101 4.646 3.561 -8.990 826 H GLY 102 H GLY 102 -0.772 1.471 -9.840 827 1HA GLY 102 1HA GLY 102 -2.099 3.886 -9.081 828 2HA GLY 102 2HA GLY 102 -2.868 2.345 -9.412 829 H LEU 103 H LEU 103 -0.502 1.711 -7.272 830 HA LEU 103 HA LEU 103 -2.312 1.844 -4.977 831 1HB LEU 103 1HB LEU 103 0.410 0.566 -5.260 832 2HB LEU 103 2HB LEU 103 -0.615 0.455 -3.842 833 HG LEU 103 HG LEU 103 -1.268 -0.659 -6.572 834 1HD1 LEU 103 1HD1 LEU 103 -0.961 -2.836 -5.518 835 2HD1 LEU 103 2HD1 LEU 103 -0.489 -2.046 -4.011 836 3HD1 LEU 103 3HD1 LEU 103 0.521 -1.880 -5.446 837 1HD2 LEU 103 1HD2 LEU 103 -2.760 -0.852 -3.957 838 2HD2 LEU 103 2HD2 LEU 103 -3.161 -1.727 -5.435 839 3HD2 LEU 103 3HD2 LEU 103 -3.277 0.033 -5.392 840 H PHE 104 H PHE 104 0.310 3.528 -6.335 841 HA PHE 104 HA PHE 104 1.075 4.754 -3.769 842 1HB PHE 104 1HB PHE 104 2.395 4.964 -6.492 843 2HB PHE 104 2HB PHE 104 3.018 5.630 -4.991 844 HD1 PHE 104 HD1 PHE 104 4.298 4.306 -3.509 845 HD2 PHE 104 HD2 PHE 104 2.279 2.491 -6.788 846 HE1 PHE 104 HE1 PHE 104 5.540 2.219 -3.113 847 HE2 PHE 104 HE2 PHE 104 3.520 0.402 -6.400 848 HZ PHE 104 HZ PHE 104 5.149 0.264 -4.562 849 H VAL 105 H VAL 105 -1.397 5.278 -5.378 850 HA VAL 105 HA VAL 105 -0.941 7.761 -6.756 851 HB VAL 105 HB VAL 105 -3.369 7.678 -7.254 852 1HG1 VAL 105 1HG1 VAL 105 -1.795 6.808 -8.824 853 2HG1 VAL 105 2HG1 VAL 105 -3.188 5.725 -8.760 854 3HG1 VAL 105 3HG1 VAL 105 -1.688 5.284 -7.938 855 1HG2 VAL 105 1HG2 VAL 105 -4.594 5.617 -6.766 856 2HG2 VAL 105 2HG2 VAL 105 -4.121 6.456 -5.289 857 3HG2 VAL 105 3HG2 VAL 105 -3.226 5.030 -5.820 858 H ASP 106 H ASP 106 -1.440 9.684 -6.275 859 HA ASP 106 HA ASP 106 -2.701 10.258 -3.705 860 1HB ASP 106 1HB ASP 106 -0.650 11.388 -3.715 861 2HB ASP 106 2HB ASP 106 -0.754 11.761 -5.430 862 H GLU 107 H GLU 107 -4.745 10.258 -4.076 863 HA GLU 107 HA GLU 107 -6.695 10.788 -5.538 864 1HB GLU 107 1HB GLU 107 -7.089 11.196 -3.267 865 2HB GLU 107 2HB GLU 107 -5.976 12.552 -3.221 866 1HG GLU 107 1HG GLU 107 -8.133 13.459 -3.047 867 2HG GLU 107 2HG GLU 107 -7.598 13.792 -4.689 868 H LYS 108 H LYS 108 -4.722 13.734 -4.947 869 HA LYS 108 HA LYS 108 -6.289 15.315 -6.689 870 1HB LYS 108 1HB LYS 108 -3.478 15.858 -5.736 871 2HB LYS 108 2HB LYS 108 -4.633 17.044 -6.333 872 1HG LYS 108 1HG LYS 108 -4.906 15.404 -3.825 873 2HG LYS 108 2HG LYS 108 -4.493 17.118 -3.916 874 1HD LYS 108 1HD LYS 108 -6.657 17.644 -4.822 875 2HD LYS 108 2HD LYS 108 -7.063 15.934 -4.962 876 1HE LYS 108 1HE LYS 108 -7.021 15.694 -2.555 877 2HE LYS 108 2HE LYS 108 -6.496 17.364 -2.370 878 1HZ LYS 108 1HZ LYS 108 -9.106 16.460 -3.467 879 2HZ LYS 108 2HZ LYS 108 -8.596 18.073 -3.373 880 3HZ LYS 108 3HZ LYS 108 -8.844 17.184 -1.953 881 H LYS 109 H LYS 109 -3.547 13.283 -7.249 882 HA LYS 109 HA LYS 109 -3.100 14.470 -9.890 883 1HB LYS 109 1HB LYS 109 -1.526 12.524 -8.217 884 2HB LYS 109 2HB LYS 109 -1.161 12.790 -9.918 885 1HG LYS 109 1HG LYS 109 -0.855 15.200 -9.429 886 2HG LYS 109 2HG LYS 109 -1.099 14.848 -7.719 887 1HD LYS 109 1HD LYS 109 1.026 13.491 -9.358 888 2HD LYS 109 2HD LYS 109 1.309 15.020 -8.527 889 1HE LYS 109 1HE LYS 109 0.380 12.484 -7.187 890 2HE LYS 109 2HE LYS 109 2.057 13.022 -7.254 891 1HZ LYS 109 1HZ LYS 109 1.052 15.179 -6.222 892 2HZ LYS 109 2HZ LYS 109 1.408 13.847 -5.241 893 3HZ LYS 109 3HZ LYS 109 -0.196 14.138 -5.721 894 H LEU 110 H LEU 110 -5.256 12.440 -8.756 895 HA LEU 110 HA LEU 110 -4.930 10.247 -10.608 896 1HB LEU 110 1HB LEU 110 -7.136 10.981 -8.698 897 2HB LEU 110 2HB LEU 110 -7.206 9.582 -9.755 898 HG LEU 110 HG LEU 110 -5.204 10.069 -7.553 899 1HD1 LEU 110 1HD1 LEU 110 -6.239 8.097 -6.539 900 2HD1 LEU 110 2HD1 LEU 110 -7.408 8.033 -7.857 901 3HD1 LEU 110 3HD1 LEU 110 -7.404 9.406 -6.748 902 1HD2 LEU 110 1HD2 LEU 110 -4.356 7.849 -8.104 903 2HD2 LEU 110 2HD2 LEU 110 -4.164 8.971 -9.452 904 3HD2 LEU 110 3HD2 LEU 110 -5.456 7.770 -9.480 905 H GLU 111 H GLU 111 -6.420 13.305 -10.562 906 HA GLU 111 HA GLU 111 -7.957 14.397 -11.846 907 1HB GLU 111 1HB GLU 111 -7.409 14.437 -14.212 908 2HB GLU 111 2HB GLU 111 -5.942 14.423 -13.249 909 1HG GLU 111 1HG GLU 111 -5.702 12.013 -13.700 910 2HG GLU 111 2HG GLU 111 -7.134 12.084 -14.723 911 H HIS 112 H HIS 112 -9.013 11.952 -10.825 912 HA HIS 112 HA HIS 112 -10.345 10.646 -13.008 913 1HB HIS 112 1HB HIS 112 -11.317 9.135 -11.339 914 2HB HIS 112 2HB HIS 112 -9.571 9.234 -11.193 915 HD1 HIS 112 HD1 HIS 112 -12.352 8.969 -9.095 916 HD2 HIS 112 HD2 HIS 112 -9.058 11.479 -9.156 917 HE1 HIS 112 HE1 HIS 112 -12.106 9.803 -6.729 918 H HIS 113 H HIS 113 -11.880 11.823 -13.951 919 HA HIS 113 HA HIS 113 -13.876 13.204 -12.373 920 1HB HIS 113 1HB HIS 113 -13.109 14.009 -14.643 921 2HB HIS 113 2HB HIS 113 -13.914 12.610 -15.344 922 HD1 HIS 113 HD1 HIS 113 -14.833 15.592 -13.149 923 HD2 HIS 113 HD2 HIS 113 -16.477 13.105 -16.051 924 HE1 HIS 113 HE1 HIS 113 -17.107 16.541 -13.653 925 H HIS 114 H HIS 114 -13.267 10.122 -13.639 926 HA HIS 114 HA HIS 114 -15.961 9.118 -13.351 927 1HB HIS 114 1HB HIS 114 -13.372 7.542 -13.447 928 2HB HIS 114 2HB HIS 114 -14.996 6.924 -13.730 929 HD1 HIS 114 HD1 HIS 114 -12.083 8.089 -15.483 930 HD2 HIS 114 HD2 HIS 114 -16.188 8.189 -16.169 931 HE1 HIS 114 HE1 HIS 114 -12.351 8.556 -17.940 932 H HIS 115 H HIS 115 -16.748 7.961 -11.566 933 HA HIS 115 HA HIS 115 -15.849 8.896 -9.080 934 1HB HIS 115 1HB HIS 115 -18.157 7.855 -9.860 935 2HB HIS 115 2HB HIS 115 -17.450 6.386 -9.195 936 HD1 HIS 115 HD1 HIS 115 -19.451 9.171 -8.242 937 HD2 HIS 115 HD2 HIS 115 -16.492 6.923 -6.372 938 HE1 HIS 115 HE1 HIS 115 -19.714 9.610 -5.778 939 H HIS 116 H HIS 116 -15.268 5.842 -10.753 940 HA HIS 116 HA HIS 116 -12.945 5.409 -9.086 941 1HB HIS 116 1HB HIS 116 -14.884 4.402 -7.815 942 2HB HIS 116 2HB HIS 116 -15.085 3.274 -9.148 943 HD1 HIS 116 HD1 HIS 116 -13.349 3.694 -6.004 944 HD2 HIS 116 HD2 HIS 116 -12.702 1.582 -9.522 945 HE1 HIS 116 HE1 HIS 116 -11.667 1.921 -5.425 946 H HIS 117 H HIS 117 -15.101 3.588 -11.263 947 HA HIS 117 HA HIS 117 -13.270 3.500 -13.409 948 1HB HIS 117 1HB HIS 117 -12.092 1.963 -11.815 949 2HB HIS 117 2HB HIS 117 -13.507 0.919 -11.839 950 HD1 HIS 117 HD1 HIS 117 -14.073 -0.137 -14.263 951 HD2 HIS 117 HD2 HIS 117 -10.269 1.444 -13.754 952 HE1 HIS 117 HE1 HIS 117 -12.683 -1.127 -16.109
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