NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10479 | 1psy | 5374 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 -41.022 -22.199 31.649 2 2H ALA 1 2H ALA 1 -40.049 -21.008 32.263 3 3H ALA 1 3H ALA 1 -41.385 -21.505 33.108 4 HA ALA 1 HA ALA 1 -42.812 -20.698 31.382 5 1HB ALA 1 1HB ALA 1 -42.344 -19.234 33.297 6 2HB ALA 1 2HB ALA 1 -40.873 -18.624 32.460 7 3HB ALA 1 3HB ALA 1 -42.502 -18.281 31.780 8 H GLU 2 H GLU 2 -39.499 -19.466 30.928 9 HA GLU 2 HA GLU 2 -39.598 -20.073 28.075 10 1HB GLU 2 1HB GLU 2 -39.212 -17.821 27.332 11 2HB GLU 2 2HB GLU 2 -40.696 -17.853 28.261 12 1HG GLU 2 1HG GLU 2 -38.928 -17.257 30.218 13 2HG GLU 2 2HG GLU 2 -38.136 -16.505 28.847 14 H PHE 3 H PHE 3 -37.499 -19.439 27.016 15 HA PHE 3 HA PHE 3 -35.169 -18.997 28.596 16 1HB PHE 3 1HB PHE 3 -36.210 -21.598 28.807 17 2HB PHE 3 2HB PHE 3 -34.826 -21.716 27.740 18 HD1 PHE 3 1HD PHE 3 -32.652 -20.443 28.560 19 HD2 PHE 3 2HD PHE 3 -35.904 -21.767 31.085 20 HE1 PHE 3 1HE PHE 3 -31.120 -20.456 30.537 21 HE2 PHE 3 2HE PHE 3 -34.368 -21.777 33.060 22 HZ PHE 3 HZ PHE 3 -31.983 -21.119 32.775 23 H MET 4 H MET 4 -34.404 -17.692 26.981 24 HA MET 4 HA MET 4 -33.367 -19.086 24.632 25 1HB MET 4 1HB MET 4 -35.845 -17.648 24.512 26 2HB MET 4 2HB MET 4 -34.642 -16.792 23.569 27 1HG MET 4 1HG MET 4 -34.582 -19.681 23.165 28 2HG MET 4 2HG MET 4 -36.104 -18.948 22.698 29 1HE MET 4 1HE MET 4 -32.719 -19.957 21.609 30 2HE MET 4 2HE MET 4 -34.172 -20.482 20.689 31 3HE MET 4 3HE MET 4 -32.911 -19.484 19.886 32 H GLU 5 H GLU 5 -31.690 -17.982 23.639 33 HA GLU 5 HA GLU 5 -31.112 -15.226 24.152 34 1HB GLU 5 1HB GLU 5 -30.207 -17.092 26.132 35 2HB GLU 5 2HB GLU 5 -28.818 -16.462 25.271 36 1HG GLU 5 1HG GLU 5 -29.791 -14.150 25.638 37 2HG GLU 5 2HG GLU 5 -30.938 -14.896 26.730 38 H SER 6 H SER 6 -28.922 -14.663 23.273 39 HA SER 6 HA SER 6 -27.263 -16.349 21.815 40 1HB SER 6 1HB SER 6 -29.748 -16.131 20.483 41 2HB SER 6 2HB SER 6 -28.622 -15.126 19.594 42 HG SER 6 HG SER 6 -28.531 -17.340 18.932 43 H LYS 7 H LYS 7 -25.507 -15.204 21.208 44 HA LYS 7 HA LYS 7 -25.788 -12.336 20.617 45 1HB LYS 7 1HB LYS 7 -23.976 -11.769 22.153 46 2HB LYS 7 2HB LYS 7 -25.343 -12.459 23.004 47 1HG LYS 7 1HG LYS 7 -24.183 -14.631 23.090 48 2HG LYS 7 2HG LYS 7 -22.812 -13.926 22.256 49 1HD LYS 7 1HD LYS 7 -22.053 -12.888 24.122 50 2HD LYS 7 2HD LYS 7 -23.666 -12.466 24.661 51 1HE LYS 7 1HE LYS 7 -23.896 -14.370 25.895 52 2HE LYS 7 2HE LYS 7 -22.993 -15.342 24.751 53 1HZ LYS 7 1HZ LYS 7 -20.986 -14.359 25.572 54 2HZ LYS 7 2HZ LYS 7 -21.839 -13.440 26.654 55 3HZ LYS 7 3HZ LYS 7 -21.818 -15.090 26.804 56 H GLY 8 H GLY 8 -23.819 -11.428 19.633 57 1HA GLY 8 1HA GLY 8 -21.570 -12.476 18.715 58 2HA GLY 8 2HA GLY 8 -22.703 -13.425 17.775 59 H GLU 9 H GLU 9 -20.986 -10.517 17.997 60 HA GLU 9 HA GLU 9 -22.229 -9.598 15.493 61 1HB GLU 9 1HB GLU 9 -23.297 -8.437 17.506 62 2HB GLU 9 2HB GLU 9 -21.750 -7.644 17.716 63 1HG GLU 9 1HG GLU 9 -22.125 -6.242 15.989 64 2HG GLU 9 2HG GLU 9 -22.683 -7.542 14.956 65 H ARG 10 H ARG 10 -20.818 -8.653 14.098 66 HA ARG 10 HA ARG 10 -18.262 -7.630 15.043 67 1HB ARG 10 1HB ARG 10 -18.252 -10.275 14.585 68 2HB ARG 10 2HB ARG 10 -17.994 -9.713 12.945 69 1HG ARG 10 1HG ARG 10 -16.258 -8.143 14.397 70 2HG ARG 10 2HG ARG 10 -16.171 -9.682 15.231 71 1HD ARG 10 1HD ARG 10 -15.853 -9.362 12.259 72 2HD ARG 10 2HD ARG 10 -14.511 -9.428 13.385 73 HE ARG 10 HE ARG 10 -16.312 -11.673 13.656 74 1HH1 ARG 10 1HH2 ARG 10 -13.558 -10.497 11.837 75 2HH1 ARG 10 2HH2 ARG 10 -13.035 -12.111 11.411 76 1HH2 ARG 10 1HH1 ARG 10 -15.596 -13.712 13.080 77 2HH2 ARG 10 2HH1 ARG 10 -14.159 -13.884 12.097 78 H GLU 11 H GLU 11 -16.981 -6.738 13.215 79 HA GLU 11 HA GLU 11 -18.491 -6.320 10.727 80 1HB GLU 11 1HB GLU 11 -18.431 -4.390 12.773 81 2HB GLU 11 2HB GLU 11 -17.328 -3.822 11.535 82 1HG GLU 11 1HG GLU 11 -19.337 -2.969 10.759 83 2HG GLU 11 2HG GLU 11 -19.263 -4.496 9.904 84 H GLY 12 H GLY 12 -17.217 -5.904 8.948 85 1HA GLY 12 1HA GLY 12 -14.336 -5.493 9.299 86 2HA GLY 12 2HA GLY 12 -14.825 -6.984 8.521 87 H SER 13 H SER 13 -13.264 -5.382 7.083 88 HA SER 13 HA SER 13 -15.123 -4.040 5.185 89 1HB SER 13 1HB SER 13 -12.374 -3.376 6.084 90 2HB SER 13 2HB SER 13 -12.873 -2.932 4.464 91 HG SER 13 HG SER 13 -13.239 -1.274 5.980 92 H SER 14 H SER 14 -11.723 -4.893 4.681 93 HA SER 14 HA SER 14 -12.220 -6.127 2.177 94 1HB SER 14 1HB SER 14 -9.919 -6.710 2.159 95 2HB SER 14 2HB SER 14 -10.064 -5.132 2.907 96 HG SER 14 HG SER 14 -8.672 -6.535 4.083 97 H SER 15 H SER 15 -10.602 -8.449 2.248 98 HA SER 15 HA SER 15 -12.399 -10.495 2.931 99 1HB SER 15 1HB SER 15 -10.277 -10.464 1.413 100 2HB SER 15 2HB SER 15 -9.455 -10.976 2.873 101 HG SER 15 HG SER 15 -10.302 -12.765 1.672 102 H GLN 16 H GLN 16 -10.575 -12.335 4.325 103 HA GLN 16 HA GLN 16 -11.484 -12.312 6.867 104 1HB GLN 16 1HB GLN 16 -9.894 -13.928 5.649 105 2HB GLN 16 2HB GLN 16 -8.610 -12.971 6.363 106 1HG GLN 16 1HG GLN 16 -9.023 -13.752 8.449 107 2HG GLN 16 2HG GLN 16 -10.759 -13.677 8.231 108 1HE2 GLN 16 2HE2 GLN 16 -11.498 -15.639 8.791 109 2HE2 GLN 16 1HE2 GLN 16 -10.886 -17.149 8.154 110 H GLN 17 H GLN 17 -8.280 -10.935 6.134 111 HA GLN 17 HA GLN 17 -8.714 -8.613 7.771 112 1HB GLN 17 1HB GLN 17 -6.659 -9.320 9.258 113 2HB GLN 17 2HB GLN 17 -8.296 -9.757 9.701 114 1HG GLN 17 1HG GLN 17 -7.973 -11.963 8.656 115 2HG GLN 17 2HG GLN 17 -6.323 -11.523 8.264 116 1HE2 GLN 17 2HE2 GLN 17 -7.420 -13.730 9.922 117 2HE2 GLN 17 1HE2 GLN 17 -6.684 -13.532 11.496 118 H CYS 18 H CYS 18 -8.225 -8.718 5.176 119 HA CYS 18 HA CYS 18 -5.378 -8.648 4.633 120 1HB CYS 18 1HB CYS 18 -7.788 -7.955 3.029 121 2HB CYS 18 2HB CYS 18 -6.175 -7.548 2.476 122 H ARG 19 H ARG 19 -7.953 -6.124 4.439 123 HA ARG 19 HA ARG 19 -6.578 -3.824 4.279 124 1HB ARG 19 1HB ARG 19 -9.137 -4.368 4.926 125 2HB ARG 19 2HB ARG 19 -8.556 -3.671 6.425 126 1HG ARG 19 1HG ARG 19 -8.104 -1.612 5.446 127 2HG ARG 19 2HG ARG 19 -7.944 -2.298 3.841 128 1HD ARG 19 1HD ARG 19 -10.554 -2.201 5.341 129 2HD ARG 19 2HD ARG 19 -10.044 -0.949 4.225 130 HE ARG 19 HE ARG 19 -11.198 -3.482 3.558 131 1HH1 ARG 19 1HH2 ARG 19 -8.823 -1.223 2.363 132 2HH1 ARG 19 2HH2 ARG 19 -9.008 -1.770 0.712 133 1HH2 ARG 19 1HH1 ARG 19 -11.372 -4.125 1.416 134 2HH2 ARG 19 2HH1 ARG 19 -10.390 -3.345 0.197 135 H GLN 20 H GLN 20 -6.874 -5.711 7.212 136 HA GLN 20 HA GLN 20 -5.496 -4.081 8.974 137 1HB GLN 20 1HB GLN 20 -6.569 -6.627 9.012 138 2HB GLN 20 2HB GLN 20 -4.866 -6.884 9.330 139 1HG GLN 20 1HG GLN 20 -5.793 -4.589 10.794 140 2HG GLN 20 2HG GLN 20 -6.823 -5.963 11.139 141 1HE2 GLN 20 2HE2 GLN 20 -3.304 -5.858 10.422 142 2HE2 GLN 20 1HE2 GLN 20 -2.821 -6.573 11.945 143 H GLU 21 H GLU 21 -3.859 -6.967 7.642 144 HA GLU 21 HA GLU 21 -1.288 -5.873 8.151 145 1HB GLU 21 1HB GLU 21 -1.899 -8.053 6.197 146 2HB GLU 21 2HB GLU 21 -0.438 -7.821 7.137 147 1HG GLU 21 1HG GLU 21 -2.615 -8.006 8.959 148 2HG GLU 21 2HG GLU 21 -2.765 -9.328 7.820 149 H VAL 22 H VAL 22 -3.426 -5.677 5.457 150 HA VAL 22 HA VAL 22 -1.737 -4.871 3.396 151 HB VAL 22 HB VAL 22 -4.583 -4.355 4.031 152 1HG1 VAL 22 1HG1 VAL 22 -3.884 -2.292 2.969 153 2HG1 VAL 22 2HG1 VAL 22 -3.150 -3.235 1.625 154 3HG1 VAL 22 3HG1 VAL 22 -4.931 -3.262 1.875 155 1HG2 VAL 22 1HG2 VAL 22 -3.207 -5.826 1.771 156 2HG2 VAL 22 2HG2 VAL 22 -4.016 -6.566 3.196 157 3HG2 VAL 22 3HG2 VAL 22 -4.986 -5.663 1.981 158 H GLN 23 H GLN 23 -3.315 -2.918 5.938 159 HA GLN 23 HA GLN 23 -2.019 -0.540 4.977 160 1HB GLN 23 1HB GLN 23 -3.135 0.550 6.627 161 2HB GLN 23 2HB GLN 23 -4.189 -0.771 6.166 162 1HG GLN 23 1HG GLN 23 -2.795 -1.756 8.293 163 2HG GLN 23 2HG GLN 23 -3.079 -0.078 8.713 164 1HE2 GLN 23 2HE2 GLN 23 -4.014 -2.156 10.196 165 2HE2 GLN 23 1HE2 GLN 23 -5.761 -2.184 10.111 166 H ARG 24 H ARG 24 -0.125 -2.601 5.483 167 HA ARG 24 HA ARG 24 1.616 -1.213 7.375 168 1HB ARG 24 1HB ARG 24 0.772 -4.072 7.753 169 2HB ARG 24 2HB ARG 24 2.146 -3.340 8.556 170 1HG ARG 24 1HG ARG 24 0.417 -1.569 9.343 171 2HG ARG 24 2HG ARG 24 -0.766 -2.796 8.939 172 1HD ARG 24 1HD ARG 24 1.513 -3.131 10.856 173 2HD ARG 24 2HD ARG 24 -0.163 -2.865 11.295 174 HE ARG 24 HE ARG 24 0.005 -5.113 9.576 175 1HH1 ARG 24 1HH2 ARG 24 0.855 -4.214 12.832 176 2HH1 ARG 24 2HH2 ARG 24 0.686 -5.847 13.438 177 1HH2 ARG 24 1HH1 ARG 24 -0.231 -7.188 10.380 178 2HH2 ARG 24 2HH1 ARG 24 0.081 -7.502 12.073 179 H LYS 25 H LYS 25 1.097 -3.929 5.195 180 HA LYS 25 HA LYS 25 3.952 -3.816 4.448 181 1HB LYS 25 1HB LYS 25 3.200 -6.261 3.653 182 2HB LYS 25 2HB LYS 25 4.025 -5.887 5.152 183 1HG LYS 25 1HG LYS 25 1.895 -5.871 6.308 184 2HG LYS 25 2HG LYS 25 1.088 -6.276 4.807 185 1HD LYS 25 1HD LYS 25 1.298 -8.407 5.378 186 2HD LYS 25 2HD LYS 25 3.023 -8.241 5.124 187 1HE LYS 25 1HE LYS 25 1.663 -7.535 7.721 188 2HE LYS 25 2HE LYS 25 2.359 -9.112 7.404 189 1HZ LYS 25 1HZ LYS 25 4.465 -8.057 7.052 190 2HZ LYS 25 2HZ LYS 25 3.808 -6.567 7.351 191 3HZ LYS 25 3HZ LYS 25 3.883 -7.696 8.559 192 H ASP 26 H ASP 26 1.160 -5.414 3.069 193 HA ASP 26 HA ASP 26 1.533 -5.052 0.390 194 1HB ASP 26 1HB ASP 26 -1.157 -4.471 1.554 195 2HB ASP 26 2HB ASP 26 -0.766 -5.278 0.049 196 H LEU 27 H LEU 27 0.807 -3.476 -1.167 197 HA LEU 27 HA LEU 27 1.610 -1.139 -1.409 198 1HB LEU 27 1HB LEU 27 -1.344 -1.574 -1.597 199 2HB LEU 27 2HB LEU 27 -0.499 -0.205 -2.293 200 HG LEU 27 HG LEU 27 -0.530 -1.465 -4.115 201 1HD1 LEU 27 1HD1 LEU 27 1.817 -1.385 -3.681 202 2HD1 LEU 27 2HD1 LEU 27 1.694 -2.913 -2.741 203 3HD1 LEU 27 3HD1 LEU 27 1.351 -2.914 -4.505 204 1HD2 LEU 27 1HD2 LEU 27 -0.594 -3.963 -2.450 205 2HD2 LEU 27 2HD2 LEU 27 -1.991 -3.154 -3.240 206 3HD2 LEU 27 3HD2 LEU 27 -0.692 -3.889 -4.244 207 H SER 28 H SER 28 2.435 -0.169 0.405 208 HA SER 28 HA SER 28 0.559 1.338 2.084 209 1HB SER 28 1HB SER 28 0.623 -0.585 3.443 210 2HB SER 28 2HB SER 28 2.347 -0.796 3.208 211 HG SER 28 HG SER 28 1.843 0.069 5.266 212 H SER 29 H SER 29 2.429 1.882 -0.015 213 HA SER 29 HA SER 29 3.775 4.094 1.124 214 1HB SER 29 1HB SER 29 5.320 2.351 1.986 215 2HB SER 29 2HB SER 29 5.599 1.838 0.333 216 HG SER 29 HG SER 29 7.192 3.324 1.071 217 H CYS 30 H CYS 30 3.482 1.705 -1.506 218 HA CYS 30 HA CYS 30 4.761 3.074 -3.564 219 1HB CYS 30 1HB CYS 30 2.112 1.680 -3.772 220 2HB CYS 30 2HB CYS 30 3.316 1.864 -5.032 221 H GLU 31 H GLU 31 1.351 3.420 -2.525 222 HA GLU 31 HA GLU 31 0.963 5.711 -4.263 223 1HB GLU 31 1HB GLU 31 -0.601 4.115 -2.430 224 2HB GLU 31 2HB GLU 31 -0.926 5.827 -2.242 225 1HG GLU 31 1HG GLU 31 -2.435 5.204 -3.891 226 2HG GLU 31 2HG GLU 31 -1.088 5.818 -4.829 227 H ARG 32 H ARG 32 1.886 5.194 -0.877 228 HA ARG 32 HA ARG 32 1.671 7.865 -0.017 229 1HB ARG 32 1HB ARG 32 2.277 5.727 1.302 230 2HB ARG 32 2HB ARG 32 3.923 6.129 0.858 231 1HG ARG 32 1HG ARG 32 3.962 8.022 2.171 232 2HG ARG 32 2HG ARG 32 2.235 8.284 2.030 233 1HD ARG 32 1HD ARG 32 3.559 6.122 3.656 234 2HD ARG 32 2HD ARG 32 2.836 7.584 4.296 235 HE ARG 32 HE ARG 32 0.949 6.139 2.708 236 1HH1 ARG 32 1HH2 ARG 32 2.404 6.120 5.871 237 2HH1 ARG 32 2HH2 ARG 32 1.070 5.245 6.589 238 1HH2 ARG 32 1HH1 ARG 32 -0.726 5.003 3.640 239 2HH2 ARG 32 2HH1 ARG 32 -0.674 4.621 5.346 240 H TYR 33 H TYR 33 4.162 6.342 -1.990 241 HA TYR 33 HA TYR 33 6.270 8.164 -1.724 242 1HB TYR 33 1HB TYR 33 6.447 5.993 -2.765 243 2HB TYR 33 2HB TYR 33 5.304 6.465 -4.006 244 HD1 TYR 33 1HD TYR 33 6.148 7.052 -6.082 245 HD2 TYR 33 2HD TYR 33 8.458 7.740 -2.534 246 HE1 TYR 33 1HE TYR 33 8.054 7.809 -7.501 247 HE2 TYR 33 2HE TYR 33 10.339 8.535 -3.942 248 HH TYR 33 HH TYR 33 11.132 8.813 -5.980 249 H LEU 34 H LEU 34 3.710 7.955 -4.208 250 HA LEU 34 HA LEU 34 4.389 10.542 -5.271 251 1HB LEU 34 1HB LEU 34 2.619 10.183 -6.782 252 2HB LEU 34 2HB LEU 34 3.462 8.662 -6.566 253 HG LEU 34 HG LEU 34 1.615 8.221 -4.806 254 1HD1 LEU 34 1HD1 LEU 34 0.509 10.397 -4.822 255 2HD1 LEU 34 2HD1 LEU 34 0.161 10.211 -6.576 256 3HD1 LEU 34 3HD1 LEU 34 -0.613 9.111 -5.384 257 1HD2 LEU 34 1HD2 LEU 34 1.153 8.049 -7.763 258 2HD2 LEU 34 2HD2 LEU 34 2.026 6.870 -6.726 259 3HD2 LEU 34 3HD2 LEU 34 0.260 7.122 -6.508 260 H ARG 35 H ARG 35 2.263 9.378 -2.776 261 HA ARG 35 HA ARG 35 0.573 11.678 -2.615 262 1HB ARG 35 1HB ARG 35 0.186 9.375 -1.576 263 2HB ARG 35 2HB ARG 35 1.259 9.908 -0.297 264 1HG ARG 35 1HG ARG 35 -0.301 11.967 -0.164 265 2HG ARG 35 2HG ARG 35 -1.438 10.963 -1.041 266 1HD ARG 35 1HD ARG 35 -1.972 10.544 1.189 267 2HD ARG 35 2HD ARG 35 -0.940 9.195 0.760 268 HE ARG 35 HE ARG 35 0.725 11.191 1.793 269 1HH1 ARG 35 1HH2 ARG 35 -1.823 9.081 2.958 270 2HH1 ARG 35 2HH2 ARG 35 -1.226 9.120 4.602 271 1HH2 ARG 35 1HH1 ARG 35 1.415 11.226 3.913 272 2HH2 ARG 35 2HH1 ARG 35 0.560 10.303 5.128 273 H GLN 36 H GLN 36 3.586 10.751 -1.059 274 HA GLN 36 HA GLN 36 3.736 13.122 0.585 275 1HB GLN 36 1HB GLN 36 4.942 10.545 0.616 276 2HB GLN 36 2HB GLN 36 6.226 11.733 0.513 277 1HG GLN 36 1HG GLN 36 5.091 12.975 2.394 278 2HG GLN 36 2HG GLN 36 4.025 11.596 2.569 279 1HE2 GLN 36 2HE2 GLN 36 7.144 12.902 3.257 280 2HE2 GLN 36 1HE2 GLN 36 7.782 11.505 4.096 281 H SER 37 H SER 37 6.370 13.809 0.475 282 HA SER 37 HA SER 37 6.452 15.321 -2.019 283 1HB SER 37 1HB SER 37 7.448 15.619 0.626 284 2HB SER 37 2HB SER 37 8.808 15.657 -0.477 285 HG SER 37 HG SER 37 7.832 17.726 -0.217 286 H SER 38 H SER 38 8.458 12.873 -0.365 287 HA SER 38 HA SER 38 9.271 11.642 -2.821 288 1HB SER 38 1HB SER 38 11.045 13.711 -1.614 289 2HB SER 38 2HB SER 38 11.805 12.224 -2.146 290 HG SER 38 HG SER 38 11.722 13.809 -3.805 291 H SER 39 H SER 39 10.099 9.625 -2.366 292 HA SER 39 HA SER 39 9.660 8.304 0.002 293 1HB SER 39 1HB SER 39 11.376 7.818 -2.319 294 2HB SER 39 2HB SER 39 11.917 7.024 -0.854 295 HG SER 39 HG SER 39 10.480 5.725 -2.074 296 H ARG 40 H ARG 40 10.891 7.592 1.773 297 HA ARG 40 HA ARG 40 13.517 8.799 2.201 298 1HB ARG 40 1HB ARG 40 11.464 10.393 2.874 299 2HB ARG 40 2HB ARG 40 11.574 9.449 4.346 300 1HG ARG 40 1HG ARG 40 14.222 10.116 3.626 301 2HG ARG 40 2HG ARG 40 13.279 11.583 3.449 302 1HD ARG 40 1HD ARG 40 12.773 10.019 5.891 303 2HD ARG 40 2HD ARG 40 14.350 10.777 5.784 304 HE ARG 40 HE ARG 40 12.605 12.777 5.090 305 1HH1 ARG 40 1HH2 ARG 40 12.902 10.719 7.904 306 2HH1 ARG 40 2HH2 ARG 40 12.219 11.926 8.970 307 1HH2 ARG 40 1HH1 ARG 40 11.744 14.277 6.496 308 2HH2 ARG 40 2HH1 ARG 40 11.581 13.887 8.193 309 H ARG 41 H ARG 41 14.278 8.240 4.512 310 HA ARG 41 HA ARG 41 14.229 5.476 4.895 311 1HB ARG 41 1HB ARG 41 15.264 5.869 7.008 312 2HB ARG 41 2HB ARG 41 15.862 7.071 5.882 313 1HG ARG 41 1HG ARG 41 14.498 8.777 6.832 314 2HG ARG 41 2HG ARG 41 13.565 7.613 7.752 315 1HD ARG 41 1HD ARG 41 16.333 7.368 8.420 316 2HD ARG 41 2HD ARG 41 15.830 9.039 8.588 317 HE ARG 41 HE ARG 41 13.869 7.358 9.770 318 1HH1 ARG 41 1HH2 ARG 41 17.115 8.490 10.370 319 2HH1 ARG 41 2HH2 ARG 41 16.966 8.305 12.103 320 1HH2 ARG 41 1HH1 ARG 41 13.724 7.128 11.990 321 2HH2 ARG 41 2HH1 ARG 41 15.090 7.551 13.000 322 H SER 42 H SER 42 13.340 4.176 6.600 323 HA SER 42 HA SER 42 11.138 5.152 8.175 324 1HB SER 42 1HB SER 42 10.405 4.561 5.611 325 2HB SER 42 2HB SER 42 10.149 3.018 6.401 326 HG SER 42 HG SER 42 8.308 4.404 6.569 327 H THR 43 H THR 43 9.888 2.628 8.452 328 HA THR 43 HA THR 43 11.781 1.231 10.131 329 HB THR 43 HB THR 43 9.738 -0.085 10.688 330 HG1 THR 43 1HG THR 43 7.787 0.654 9.699 331 1HG2 THR 43 1HG2 THR 43 10.151 2.103 11.852 332 2HG2 THR 43 2HG2 THR 43 9.239 2.924 10.537 333 3HG2 THR 43 3HG2 THR 43 8.399 1.769 11.629 334 H GLY 44 H GLY 44 12.891 -0.550 9.677 335 1HA GLY 44 1HA GLY 44 12.587 -2.798 8.428 336 2HA GLY 44 2HA GLY 44 12.520 -1.776 7.006 337 H GLU 45 H GLU 45 14.503 -3.623 8.898 338 HA GLU 45 HA GLU 45 16.948 -2.119 8.582 339 1HB GLU 45 1HB GLU 45 16.152 -4.738 9.633 340 2HB GLU 45 2HB GLU 45 17.777 -4.661 8.983 341 1HG GLU 45 1HG GLU 45 17.311 -2.319 10.557 342 2HG GLU 45 2HG GLU 45 16.864 -3.724 11.502 343 H GLU 46 H GLU 46 15.066 -3.395 6.240 344 HA GLU 46 HA GLU 46 17.266 -4.439 4.597 345 1HB GLU 46 1HB GLU 46 15.173 -5.723 4.750 346 2HB GLU 46 2HB GLU 46 14.313 -4.372 4.039 347 1HG GLU 46 1HG GLU 46 15.062 -4.857 1.953 348 2HG GLU 46 2HG GLU 46 16.698 -5.126 2.520 349 H VAL 47 H VAL 47 18.030 -2.047 4.813 350 HA VAL 47 HA VAL 47 17.393 -0.729 2.290 351 HB VAL 47 HB VAL 47 16.845 0.615 4.924 352 1HG1 VAL 47 1HG1 VAL 47 18.062 2.199 3.467 353 2HG1 VAL 47 2HG1 VAL 47 16.889 1.865 2.147 354 3HG1 VAL 47 3HG1 VAL 47 16.339 2.679 3.654 355 1HG2 VAL 47 1HG2 VAL 47 15.064 0.176 2.496 356 2HG2 VAL 47 2HG2 VAL 47 14.938 -0.698 4.063 357 3HG2 VAL 47 3HG2 VAL 47 14.603 1.067 3.987 358 H LEU 48 H LEU 48 19.585 -1.960 2.506 359 HA LEU 48 HA LEU 48 21.585 0.127 3.075 360 1HB LEU 48 1HB LEU 48 23.118 -1.500 4.026 361 2HB LEU 48 2HB LEU 48 21.653 -1.329 4.972 362 HG LEU 48 HG LEU 48 21.984 -3.547 2.985 363 1HD1 LEU 48 1HD1 LEU 48 23.902 -3.668 4.496 364 2HD1 LEU 48 2HD1 LEU 48 22.794 -3.563 5.909 365 3HD1 LEU 48 3HD1 LEU 48 22.744 -5.002 4.831 366 1HD2 LEU 48 1HD2 LEU 48 20.268 -3.261 5.474 367 2HD2 LEU 48 2HD2 LEU 48 19.697 -3.122 3.775 368 3HD2 LEU 48 3HD2 LEU 48 20.312 -4.694 4.390 369 H ARG 49 H ARG 49 20.326 -0.378 0.665 370 HA ARG 49 HA ARG 49 22.679 -1.158 -0.926 371 1HB ARG 49 1HB ARG 49 20.712 -2.967 -0.589 372 2HB ARG 49 2HB ARG 49 20.078 -2.086 -1.964 373 1HG ARG 49 1HG ARG 49 21.431 -3.296 -3.276 374 2HG ARG 49 2HG ARG 49 22.791 -2.481 -2.531 375 1HD ARG 49 1HD ARG 49 21.721 -4.665 -0.922 376 2HD ARG 49 2HD ARG 49 22.341 -5.182 -2.477 377 HE ARG 49 HE ARG 49 24.245 -3.447 -1.341 378 1HH1 ARG 49 1HH2 ARG 49 22.901 -6.611 -0.670 379 2HH1 ARG 49 2HH2 ARG 49 24.367 -7.169 0.105 380 1HH2 ARG 49 1HH1 ARG 49 26.095 -4.222 -0.352 381 2HH2 ARG 49 2HH1 ARG 49 26.127 -5.853 0.280 382 H MET 50 H MET 50 23.089 0.271 -2.460 383 HA MET 50 HA MET 50 21.354 2.488 -3.026 384 1HB MET 50 1HB MET 50 24.027 1.594 -3.688 385 2HB MET 50 2HB MET 50 23.224 2.314 -5.069 386 1HG MET 50 1HG MET 50 22.626 4.238 -3.603 387 2HG MET 50 2HG MET 50 23.657 3.539 -2.371 388 1HE MET 50 1HE MET 50 26.050 3.996 -2.096 389 2HE MET 50 2HE MET 50 26.212 2.623 -3.244 390 3HE MET 50 3HE MET 50 27.200 4.108 -3.474 391 HA PRO 51 HA PRO 51 20.569 0.374 -7.212 392 1HB PRO 51 1HB PRO 51 21.332 -2.251 -7.548 393 2HB PRO 51 2HB PRO 51 22.256 -0.864 -8.088 394 1HG PRO 51 1HG PRO 51 22.806 -2.681 -5.840 395 2HG PRO 51 2HG PRO 51 23.895 -1.571 -6.645 396 1HD PRO 51 1HD PRO 51 22.571 -1.190 -4.167 397 2HD PRO 51 2HD PRO 51 23.577 -0.038 -5.023 398 H GLY 52 H GLY 52 20.231 -1.333 -4.219 399 1HA GLY 52 1HA GLY 52 18.315 -2.157 -3.215 400 2HA GLY 52 2HA GLY 52 17.402 -1.787 -4.662 401 H ASP 53 H ASP 53 18.831 -4.235 -2.790 402 HA ASP 53 HA ASP 53 19.377 -6.230 -4.718 403 1HB ASP 53 1HB ASP 53 19.818 -6.244 -2.206 404 2HB ASP 53 2HB ASP 53 18.151 -6.750 -2.026 405 H GLU 54 H GLU 54 16.438 -5.945 -2.723 406 HA GLU 54 HA GLU 54 14.937 -7.567 -4.651 407 1HB GLU 54 1HB GLU 54 14.658 -6.868 -1.799 408 2HB GLU 54 2HB GLU 54 13.164 -7.063 -2.694 409 1HG GLU 54 1HG GLU 54 15.103 -9.167 -3.266 410 2HG GLU 54 2HG GLU 54 14.643 -9.111 -1.576 411 H ASN 55 H ASN 55 15.142 -5.844 -6.245 412 HA ASN 55 HA ASN 55 12.722 -4.463 -6.601 413 1HB ASN 55 1HB ASN 55 13.379 -2.908 -4.904 414 2HB ASN 55 2HB ASN 55 15.001 -2.787 -5.558 415 1HD2 ASN 55 2HD2 ASN 55 15.453 -1.119 -6.784 416 2HD2 ASN 55 1HD2 ASN 55 14.279 -0.128 -7.622 417 H GLN 56 H GLN 56 12.658 -3.375 -8.638 418 HA GLN 56 HA GLN 56 14.004 -4.360 -10.763 419 1HB GLN 56 1HB GLN 56 12.205 -2.360 -10.446 420 2HB GLN 56 2HB GLN 56 13.616 -1.454 -10.955 421 1HG GLN 56 1HG GLN 56 13.526 -3.756 -12.576 422 2HG GLN 56 2HG GLN 56 11.887 -3.141 -12.519 423 1HE2 GLN 56 2HE2 GLN 56 11.759 -2.426 -14.630 424 2HE2 GLN 56 1HE2 GLN 56 12.737 -1.112 -15.244 425 H GLN 57 H GLN 57 16.030 -4.506 -11.430 426 HA GLN 57 HA GLN 57 18.159 -3.350 -9.945 427 1HB GLN 57 1HB GLN 57 18.124 -5.496 -11.394 428 2HB GLN 57 2HB GLN 57 18.463 -4.418 -12.733 429 1HG GLN 57 1HG GLN 57 20.099 -4.305 -10.224 430 2HG GLN 57 2HG GLN 57 20.457 -5.488 -11.467 431 1HE2 GLN 57 2HE2 GLN 57 21.327 -4.820 -13.454 432 2HE2 GLN 57 1HE2 GLN 57 21.971 -3.209 -13.676 433 H GLN 58 H GLN 58 18.006 -1.135 -9.896 434 HA GLN 58 HA GLN 58 19.217 0.395 -11.880 435 1HB GLN 58 1HB GLN 58 16.607 -0.232 -12.713 436 2HB GLN 58 2HB GLN 58 16.495 1.398 -12.078 437 1HG GLN 58 1HG GLN 58 18.880 0.860 -13.719 438 2HG GLN 58 2HG GLN 58 17.361 0.793 -14.590 439 1HE2 GLN 58 2HE2 GLN 58 18.602 2.651 -15.679 440 2HE2 GLN 58 1HE2 GLN 58 18.278 4.245 -15.036 441 H GLU 59 H GLU 59 19.724 2.359 -11.024 442 HA GLU 59 HA GLU 59 19.467 2.922 -8.335 443 1HB GLU 59 1HB GLU 59 19.856 4.728 -10.688 444 2HB GLU 59 2HB GLU 59 19.894 5.326 -9.041 445 1HG GLU 59 1HG GLU 59 21.656 3.109 -10.078 446 2HG GLU 59 2HG GLU 59 22.151 4.785 -9.961 447 H SER 60 H SER 60 17.547 2.744 -7.349 448 HA SER 60 HA SER 60 15.642 4.845 -7.517 449 1HB SER 60 1HB SER 60 13.681 3.570 -8.277 450 2HB SER 60 2HB SER 60 14.870 3.752 -9.551 451 HG SER 60 HG SER 60 14.058 1.598 -9.411 452 H GLN 61 H GLN 61 17.019 4.195 -5.449 453 HA GLN 61 HA GLN 61 15.957 2.174 -3.770 454 1HB GLN 61 1HB GLN 61 16.880 3.510 -1.910 455 2HB GLN 61 2HB GLN 61 18.022 3.277 -3.219 456 1HG GLN 61 1HG GLN 61 17.730 5.501 -3.997 457 2HG GLN 61 2HG GLN 61 16.311 5.740 -2.997 458 1HE2 GLN 61 2HE2 GLN 61 16.991 7.508 -1.842 459 2HE2 GLN 61 1HE2 GLN 61 18.340 7.458 -0.729 460 H GLN 62 H GLN 62 14.488 5.048 -4.854 461 HA GLN 62 HA GLN 62 12.750 5.568 -2.656 462 1HB GLN 62 1HB GLN 62 12.664 6.230 -5.584 463 2HB GLN 62 2HB GLN 62 11.455 6.789 -4.445 464 1HG GLN 62 1HG GLN 62 13.293 7.832 -3.106 465 2HG GLN 62 2HG GLN 62 14.410 7.391 -4.382 466 1HE2 GLN 62 2HE2 GLN 62 12.058 9.686 -3.318 467 2HE2 GLN 62 1HE2 GLN 62 12.070 10.690 -4.750 468 H LEU 63 H LEU 63 11.924 4.252 -5.894 469 HA LEU 63 HA LEU 63 9.458 3.114 -5.059 470 1HB LEU 63 1HB LEU 63 11.242 2.952 -7.404 471 2HB LEU 63 2HB LEU 63 10.176 1.582 -7.170 472 HG LEU 63 HG LEU 63 8.253 2.951 -7.283 473 1HD1 LEU 63 1HD1 LEU 63 9.046 4.892 -6.007 474 2HD1 LEU 63 2HD1 LEU 63 10.103 5.353 -7.387 475 3HD1 LEU 63 3HD1 LEU 63 8.315 5.395 -7.571 476 1HD2 LEU 63 1HD2 LEU 63 10.216 3.826 -9.421 477 2HD2 LEU 63 2HD2 LEU 63 9.210 2.337 -9.449 478 3HD2 LEU 63 3HD2 LEU 63 8.425 3.953 -9.528 479 H GLN 64 H GLN 64 12.766 1.962 -4.768 480 HA GLN 64 HA GLN 64 12.350 -0.772 -4.413 481 1HB GLN 64 1HB GLN 64 14.562 -0.045 -4.345 482 2HB GLN 64 2HB GLN 64 14.220 1.166 -3.125 483 1HG GLN 64 1HG GLN 64 13.804 -0.651 -1.496 484 2HG GLN 64 2HG GLN 64 14.263 -1.817 -2.721 485 1HE2 GLN 64 2HE2 GLN 64 15.460 -1.390 -0.111 486 2HE2 GLN 64 1HE2 GLN 64 17.125 -0.940 -0.399 487 H GLN 65 H GLN 65 11.603 1.889 -2.190 488 HA GLN 65 HA GLN 65 10.955 0.254 0.032 489 1HB GLN 65 1HB GLN 65 10.375 3.031 -0.794 490 2HB GLN 65 2HB GLN 65 9.299 2.326 0.395 491 1HG GLN 65 1HG GLN 65 11.962 1.656 1.125 492 2HG GLN 65 2HG GLN 65 11.913 3.375 0.790 493 1HE2 GLN 65 2HE2 GLN 65 11.485 1.077 3.144 494 2HE2 GLN 65 1HE2 GLN 65 10.485 1.991 4.253 495 H CYS 66 H CYS 66 9.040 1.221 -2.800 496 HA CYS 66 HA CYS 66 6.605 0.044 -1.863 497 1HB CYS 66 1HB CYS 66 6.438 1.663 -3.572 498 2HB CYS 66 2HB CYS 66 7.622 0.833 -4.561 499 H CYS 67 H CYS 67 9.203 -1.117 -4.156 500 HA CYS 67 HA CYS 67 8.043 -3.635 -4.609 501 1HB CYS 67 1HB CYS 67 10.217 -2.463 -5.511 502 2HB CYS 67 2HB CYS 67 10.968 -3.478 -4.296 503 H ASN 68 H ASN 68 10.478 -2.798 -2.100 504 HA ASN 68 HA ASN 68 10.427 -5.247 -0.715 505 1HB ASN 68 1HB ASN 68 12.061 -3.396 -0.390 506 2HB ASN 68 2HB ASN 68 10.812 -2.485 0.434 507 1HD2 ASN 68 2HD2 ASN 68 11.911 -2.417 2.407 508 2HD2 ASN 68 1HD2 ASN 68 12.070 -3.837 3.418 509 H GLN 69 H GLN 69 8.163 -2.560 -0.668 510 HA GLN 69 HA GLN 69 6.747 -3.426 1.692 511 1HB GLN 69 1HB GLN 69 6.308 -1.381 -0.422 512 2HB GLN 69 2HB GLN 69 4.972 -1.829 0.620 513 1HG GLN 69 1HG GLN 69 7.602 -1.239 1.881 514 2HG GLN 69 2HG GLN 69 6.641 0.108 1.302 515 1HE2 GLN 69 2HE2 GLN 69 4.651 0.531 2.160 516 2HE2 GLN 69 1HE2 GLN 69 4.167 -0.101 3.717 517 H VAL 70 H VAL 70 6.068 -3.603 -1.774 518 HA VAL 70 HA VAL 70 3.729 -5.213 -1.522 519 HB VAL 70 HB VAL 70 5.533 -4.859 -3.902 520 1HG1 VAL 70 1HG1 VAL 70 3.877 -6.664 -4.045 521 2HG1 VAL 70 2HG1 VAL 70 2.591 -5.497 -3.578 522 3HG1 VAL 70 3HG1 VAL 70 3.458 -5.302 -5.141 523 1HG2 VAL 70 1HG2 VAL 70 3.133 -3.196 -3.034 524 2HG2 VAL 70 2HG2 VAL 70 4.843 -2.643 -3.000 525 3HG2 VAL 70 3HG2 VAL 70 4.046 -3.006 -4.571 526 H LYS 71 H LYS 71 7.053 -5.894 -1.218 527 HA LYS 71 HA LYS 71 6.949 -8.641 -2.045 528 1HB LYS 71 1HB LYS 71 8.987 -7.072 -1.783 529 2HB LYS 71 2HB LYS 71 8.915 -7.522 -0.090 530 1HG LYS 71 1HG LYS 71 10.400 -9.075 -1.067 531 2HG LYS 71 2HG LYS 71 8.886 -9.941 -0.901 532 1HD LYS 71 1HD LYS 71 8.777 -8.635 -3.396 533 2HD LYS 71 2HD LYS 71 10.371 -9.356 -3.291 534 1HE LYS 71 1HE LYS 71 9.488 -11.525 -3.026 535 2HE LYS 71 2HE LYS 71 7.886 -10.914 -2.666 536 1HZ LYS 71 1HZ LYS 71 7.743 -10.109 -4.904 537 2HZ LYS 71 2HZ LYS 71 9.256 -10.687 -5.244 538 3HZ LYS 71 3HZ LYS 71 8.027 -11.740 -4.895 539 H GLN 72 H GLN 72 5.811 -6.936 0.692 540 HA GLN 72 HA GLN 72 5.665 -9.396 2.288 541 1HB GLN 72 1HB GLN 72 5.192 -6.500 2.800 542 2HB GLN 72 2HB GLN 72 4.692 -7.730 3.943 543 1HG GLN 72 1HG GLN 72 7.297 -8.398 3.403 544 2HG GLN 72 2HG GLN 72 7.326 -6.646 3.408 545 1HE2 GLN 72 2HE2 GLN 72 8.601 -8.461 5.301 546 2HE2 GLN 72 1HE2 GLN 72 7.895 -8.145 6.870 547 H VAL 73 H VAL 73 3.931 -8.257 -0.186 548 HA VAL 73 HA VAL 73 1.249 -8.457 0.783 549 HB VAL 73 HB VAL 73 2.547 -8.617 -1.906 550 1HG1 VAL 73 1HG1 VAL 73 0.575 -10.065 -2.025 551 2HG1 VAL 73 2HG1 VAL 73 -0.420 -8.730 -1.346 552 3HG1 VAL 73 3HG1 VAL 73 0.348 -8.546 -2.962 553 1HG2 VAL 73 1HG2 VAL 73 0.675 -6.620 -0.600 554 2HG2 VAL 73 2HG2 VAL 73 2.448 -6.422 -0.824 555 3HG2 VAL 73 3HG2 VAL 73 1.362 -6.481 -2.256 556 H ARG 74 H ARG 74 -0.188 -10.076 0.684 557 HA ARG 74 HA ARG 74 0.849 -12.720 1.112 558 1HB ARG 74 1HB ARG 74 -2.059 -12.099 0.862 559 2HB ARG 74 2HB ARG 74 -1.279 -13.358 1.797 560 1HG ARG 74 1HG ARG 74 -0.207 -10.936 2.735 561 2HG ARG 74 2HG ARG 74 -1.933 -10.667 2.583 562 1HD ARG 74 1HD ARG 74 -2.457 -12.296 4.120 563 2HD ARG 74 2HD ARG 74 -0.954 -13.161 3.869 564 HE ARG 74 HE ARG 74 -0.660 -10.491 5.023 565 1HH1 ARG 74 1HH2 ARG 74 -1.242 -13.843 5.815 566 2HH1 ARG 74 2HH2 ARG 74 -0.461 -13.714 7.375 567 1HH2 ARG 74 1HH1 ARG 74 0.433 -10.401 6.977 568 2HH2 ARG 74 2HH1 ARG 74 0.466 -11.807 8.017 569 H ASP 75 H ASP 75 -1.553 -11.418 -1.129 570 HA ASP 75 HA ASP 75 -0.862 -12.256 -3.568 571 1HB ASP 75 1HB ASP 75 -1.432 -14.638 -1.956 572 2HB ASP 75 2HB ASP 75 -2.279 -14.572 -3.488 573 H GLU 76 H GLU 76 -3.533 -12.824 -1.288 574 HA GLU 76 HA GLU 76 -5.468 -11.992 -3.355 575 1HB GLU 76 1HB GLU 76 -7.146 -12.912 -1.980 576 2HB GLU 76 2HB GLU 76 -5.815 -14.051 -1.993 577 1HG GLU 76 1HG GLU 76 -5.488 -12.214 0.181 578 2HG GLU 76 2HG GLU 76 -7.088 -12.924 0.245 579 H CYS 77 H CYS 77 -3.656 -10.627 -0.978 580 HA CYS 77 HA CYS 77 -5.587 -8.473 -0.503 581 1HB CYS 77 1HB CYS 77 -2.987 -8.930 0.865 582 2HB CYS 77 2HB CYS 77 -4.314 -7.904 1.370 583 H GLN 78 H GLN 78 -3.115 -9.300 -2.630 584 HA GLN 78 HA GLN 78 -1.603 -6.919 -2.784 585 1HB GLN 78 1HB GLN 78 -0.846 -7.802 -4.821 586 2HB GLN 78 2HB GLN 78 -1.272 -9.214 -3.873 587 1HG GLN 78 1HG GLN 78 -3.405 -9.355 -5.091 588 2HG GLN 78 2HG GLN 78 -2.914 -7.988 -6.071 589 1HE2 GLN 78 2HE2 GLN 78 -1.179 -10.885 -4.903 590 2HE2 GLN 78 1HE2 GLN 78 -0.604 -11.368 -6.483 591 H CYS 79 H CYS 79 -4.691 -7.850 -4.313 592 HA CYS 79 HA CYS 79 -4.770 -5.435 -5.916 593 1HB CYS 79 1HB CYS 79 -6.054 -7.910 -5.910 594 2HB CYS 79 2HB CYS 79 -7.302 -6.737 -5.545 595 H GLU 80 H GLU 80 -6.770 -6.800 -3.276 596 HA GLU 80 HA GLU 80 -8.237 -4.527 -2.653 597 1HB GLU 80 1HB GLU 80 -8.118 -6.991 -1.655 598 2HB GLU 80 2HB GLU 80 -7.271 -6.130 -0.385 599 1HG GLU 80 1HG GLU 80 -9.167 -5.219 0.369 600 2HG GLU 80 2HG GLU 80 -9.624 -4.692 -1.238 601 H ALA 81 H ALA 81 -4.919 -5.228 -1.818 602 HA ALA 81 HA ALA 81 -4.463 -3.187 0.025 603 1HB ALA 81 1HB ALA 81 -2.880 -4.956 -0.363 604 2HB ALA 81 2HB ALA 81 -2.612 -4.368 -2.040 605 3HB ALA 81 3HB ALA 81 -2.107 -3.357 -0.642 606 H ILE 82 H ILE 82 -4.275 -3.039 -3.510 607 HA ILE 82 HA ILE 82 -3.699 -0.247 -3.571 608 HB ILE 82 HB ILE 82 -4.599 -2.277 -5.525 609 1HG1 ILE 82 1HG1 ILE 82 -2.259 -2.097 -5.046 610 2HG1 ILE 82 2HG1 ILE 82 -2.580 -1.591 -6.693 611 1HG2 ILE 82 1HG2 ILE 82 -5.991 -0.373 -6.144 612 2HG2 ILE 82 2HG2 ILE 82 -4.535 0.683 -6.153 613 3HG2 ILE 82 3HG2 ILE 82 -4.690 -0.646 -7.355 614 1HD1 ILE 82 1HD1 ILE 82 -2.445 0.782 -6.013 615 2HD1 ILE 82 2HD1 ILE 82 -2.115 0.262 -4.324 616 3HD1 ILE 82 3HD1 ILE 82 -0.930 -0.103 -5.626 617 H LYS 83 H LYS 83 -6.733 -2.114 -3.494 618 HA LYS 83 HA LYS 83 -8.391 0.180 -3.930 619 1HB LYS 83 1HB LYS 83 -8.729 -2.613 -3.182 620 2HB LYS 83 2HB LYS 83 -9.932 -1.551 -2.481 621 1HG LYS 83 1HG LYS 83 -10.636 -2.427 -4.681 622 2HG LYS 83 2HG LYS 83 -10.496 -0.681 -4.680 623 1HD LYS 83 1HD LYS 83 -8.264 -0.881 -5.734 624 2HD LYS 83 2HD LYS 83 -8.459 -2.621 -5.780 625 1HE LYS 83 1HE LYS 83 -10.523 -0.864 -7.035 626 2HE LYS 83 2HE LYS 83 -9.035 -1.209 -7.894 627 1HZ LYS 83 1HZ LYS 83 -9.499 -3.535 -7.662 628 2HZ LYS 83 2HZ LYS 83 -10.905 -3.209 -6.852 629 3HZ LYS 83 3HZ LYS 83 -10.746 -2.772 -8.441 630 H TYR 84 H TYR 84 -6.384 -0.541 -1.374 631 HA TYR 84 HA TYR 84 -7.938 0.949 0.631 632 1HB TYR 84 1HB TYR 84 -7.042 -1.195 1.281 633 2HB TYR 84 2HB TYR 84 -5.446 -0.725 0.728 634 HD1 TYR 84 1HD TYR 84 -3.890 -0.075 2.269 635 HD2 TYR 84 2HD TYR 84 -8.109 0.480 3.058 636 HE1 TYR 84 1HE TYR 84 -3.375 0.980 4.471 637 HE2 TYR 84 2HE TYR 84 -7.582 1.323 5.348 638 HH TYR 84 HH TYR 84 -6.006 1.958 6.714 639 H ILE 85 H ILE 85 -4.519 0.698 -0.406 640 HA ILE 85 HA ILE 85 -3.846 3.200 0.678 641 HB ILE 85 HB ILE 85 -2.402 1.219 -0.106 642 1HG1 ILE 85 1HG1 ILE 85 -1.216 2.721 1.093 643 2HG1 ILE 85 2HG1 ILE 85 -0.442 2.896 -0.470 644 1HG2 ILE 85 1HG2 ILE 85 -2.914 1.233 -2.462 645 2HG2 ILE 85 2HG2 ILE 85 -2.302 2.918 -2.600 646 3HG2 ILE 85 3HG2 ILE 85 -1.170 1.579 -2.200 647 1HD1 ILE 85 1HD1 ILE 85 -1.807 4.894 -0.948 648 2HD1 ILE 85 2HD1 ILE 85 -2.602 4.715 0.654 649 3HD1 ILE 85 3HD1 ILE 85 -0.847 5.094 0.558 650 H ALA 86 H ALA 86 -4.686 2.290 -2.657 651 HA ALA 86 HA ALA 86 -4.558 4.985 -3.644 652 1HB ALA 86 1HB ALA 86 -3.976 3.089 -5.079 653 2HB ALA 86 2HB ALA 86 -5.640 2.436 -4.890 654 3HB ALA 86 3HB ALA 86 -5.377 3.990 -5.754 655 H GLU 87 H GLU 87 -6.104 5.155 -1.521 656 HA GLU 87 HA GLU 87 -8.579 6.165 -2.433 657 1HB GLU 87 1HB GLU 87 -8.838 3.549 -2.352 658 2HB GLU 87 2HB GLU 87 -9.033 3.850 -0.637 659 1HG GLU 87 1HG GLU 87 -10.704 5.648 -1.258 660 2HG GLU 87 2HG GLU 87 -10.629 5.044 -2.901 661 H ASP 88 H ASP 88 -7.056 4.649 0.467 662 HA ASP 88 HA ASP 88 -8.343 6.219 2.416 663 1HB ASP 88 1HB ASP 88 -6.893 4.240 2.843 664 2HB ASP 88 2HB ASP 88 -5.498 5.220 2.435 665 H GLN 89 H GLN 89 -5.171 6.709 0.827 666 HA GLN 89 HA GLN 89 -4.702 9.305 1.826 667 1HB GLN 89 1HB GLN 89 -3.247 9.541 -0.154 668 2HB GLN 89 2HB GLN 89 -2.975 8.073 0.763 669 1HG GLN 89 1HG GLN 89 -3.284 6.854 -1.065 670 2HG GLN 89 2HG GLN 89 -4.894 7.518 -1.255 671 1HE2 GLN 89 2HE2 GLN 89 -1.459 8.214 -1.938 672 2HE2 GLN 89 1HE2 GLN 89 -1.777 9.158 -3.377 673 H ILE 90 H ILE 90 -6.864 8.333 -0.742 674 HA ILE 90 HA ILE 90 -7.134 10.910 -1.960 675 HB ILE 90 HB ILE 90 -9.122 8.665 -1.992 676 1HG1 ILE 90 1HG1 ILE 90 -6.634 9.027 -3.636 677 2HG1 ILE 90 2HG1 ILE 90 -7.058 7.666 -2.616 678 1HG2 ILE 90 1HG2 ILE 90 -9.972 10.771 -2.900 679 2HG2 ILE 90 2HG2 ILE 90 -8.544 10.871 -3.989 680 3HG2 ILE 90 3HG2 ILE 90 -9.747 9.552 -4.202 681 1HD1 ILE 90 1HD1 ILE 90 -8.915 7.076 -4.134 682 2HD1 ILE 90 2HD1 ILE 90 -8.481 8.473 -5.180 683 3HD1 ILE 90 3HD1 ILE 90 -7.338 7.097 -4.997 684 H GLN 91 H GLN 91 -9.079 9.059 0.421 685 HA GLN 91 HA GLN 91 -10.811 11.283 0.934 686 1HB GLN 91 1HB GLN 91 -10.336 8.620 2.098 687 2HB GLN 91 2HB GLN 91 -11.092 9.807 3.141 688 1HG GLN 91 1HG GLN 91 -12.419 10.112 0.720 689 2HG GLN 91 2HG GLN 91 -12.206 8.379 0.862 690 1HE2 GLN 91 2HE2 GLN 91 -13.329 7.233 2.443 691 2HE2 GLN 91 1HE2 GLN 91 -14.548 7.977 3.453 692 H GLN 92 H GLN 92 -7.791 10.198 2.401 693 HA GLN 92 HA GLN 92 -7.930 12.020 4.617 694 1HB GLN 92 1HB GLN 92 -6.411 9.795 4.032 695 2HB GLN 92 2HB GLN 92 -5.256 11.105 3.884 696 1HG GLN 92 1HG GLN 92 -5.149 10.528 6.150 697 2HG GLN 92 2HG GLN 92 -6.203 11.927 6.127 698 1HE2 GLN 92 2HE2 GLN 92 -8.371 11.706 6.750 699 2HE2 GLN 92 1HE2 GLN 92 -9.005 10.209 7.394 700 H GLY 93 H GLY 93 -5.858 11.895 1.737 701 1HA GLY 93 1HA GLY 93 -4.802 14.507 1.951 702 2HA GLY 93 2HA GLY 93 -4.844 13.510 0.510 703 H GLN 94 H GLN 94 -5.041 16.011 -0.056 704 HA GLN 94 HA GLN 94 -7.807 16.889 -0.007 705 1HB GLN 94 1HB GLN 94 -5.223 18.096 -0.493 706 2HB GLN 94 2HB GLN 94 -6.434 18.642 -1.636 707 1HG GLN 94 1HG GLN 94 -7.499 19.848 -0.066 708 2HG GLN 94 2HG GLN 94 -7.496 18.506 1.061 709 1HE2 GLN 94 2HE2 GLN 94 -6.811 21.554 1.110 710 2HE2 GLN 94 1HE2 GLN 94 -5.327 21.583 2.034 711 H LEU 95 H LEU 95 -8.010 14.467 -1.270 712 HA LEU 95 HA LEU 95 -7.592 15.060 -4.151 713 1HB LEU 95 1HB LEU 95 -8.032 12.529 -2.646 714 2HB LEU 95 2HB LEU 95 -8.074 12.616 -4.396 715 HG LEU 95 HG LEU 95 -5.945 11.779 -3.337 716 1HD1 LEU 95 1HD1 LEU 95 -6.233 12.421 -5.648 717 2HD1 LEU 95 2HD1 LEU 95 -5.949 14.141 -5.205 718 3HD1 LEU 95 3HD1 LEU 95 -4.622 12.940 -5.041 719 1HD2 LEU 95 1HD2 LEU 95 -5.502 14.736 -2.849 720 2HD2 LEU 95 2HD2 LEU 95 -5.657 13.481 -1.571 721 3HD2 LEU 95 3HD2 LEU 95 -4.267 13.437 -2.710 722 H HIS 96 H HIS 96 -9.331 16.438 -4.451 723 HA HIS 96 HA HIS 96 -11.927 15.114 -4.726 724 1HB HIS 96 1HB HIS 96 -11.559 17.511 -2.938 725 2HB HIS 96 2HB HIS 96 -13.103 16.833 -3.417 726 HD1 HIS 96 1HD HIS 96 -13.959 14.722 -2.126 727 HD2 HIS 96 2HD HIS 96 -10.094 16.064 -1.074 728 HE1 HIS 96 1HE HIS 96 -13.212 13.324 -0.091 729 HE2 HIS 96 2HE HIS 96 -10.824 14.105 0.498 730 H GLY 97 H GLY 97 -13.519 17.248 -5.331 731 1HA GLY 97 1HA GLY 97 -13.996 18.828 -6.924 732 2HA GLY 97 2HA GLY 97 -12.308 19.299 -6.904 733 H GLU 98 H GLU 98 -10.802 18.012 -8.169 734 HA GLU 98 HA GLU 98 -11.678 16.019 -10.044 735 1HB GLU 98 1HB GLU 98 -12.458 18.256 -10.986 736 2HB GLU 98 2HB GLU 98 -10.761 18.616 -11.234 737 1HG GLU 98 1HG GLU 98 -10.511 16.674 -12.666 738 2HG GLU 98 2HG GLU 98 -12.157 16.174 -12.332 739 H GLU 99 H GLU 99 -9.676 16.383 -7.927 740 HA GLU 99 HA GLU 99 -7.259 15.965 -9.595 741 1HB GLU 99 1HB GLU 99 -5.901 16.903 -7.927 742 2HB GLU 99 2HB GLU 99 -7.251 18.004 -8.118 743 1HG GLU 99 1HG GLU 99 -8.294 17.181 -6.122 744 2HG GLU 99 2HG GLU 99 -7.127 15.882 -5.987 745 H SER 100 H SER 100 -9.543 14.192 -8.296 746 HA SER 100 HA SER 100 -7.884 12.374 -6.709 747 1HB SER 100 1HB SER 100 -10.139 11.034 -6.924 748 2HB SER 100 2HB SER 100 -10.003 12.399 -5.835 749 HG SER 100 HG SER 100 -11.856 12.549 -7.198 750 H GLU 101 H GLU 101 -9.165 12.653 -9.973 751 HA GLU 101 HA GLU 101 -8.585 9.928 -10.725 752 1HB GLU 101 1HB GLU 101 -9.942 12.057 -11.853 753 2HB GLU 101 2HB GLU 101 -8.540 11.874 -12.887 754 1HG GLU 101 1HG GLU 101 -9.458 10.078 -13.862 755 2HG GLU 101 2HG GLU 101 -9.594 9.279 -12.308 756 H ARG 102 H ARG 102 -6.731 12.894 -10.553 757 HA ARG 102 HA ARG 102 -4.575 12.006 -12.209 758 1HB ARG 102 1HB ARG 102 -3.267 13.763 -11.147 759 2HB ARG 102 2HB ARG 102 -4.842 14.351 -11.642 760 1HG ARG 102 1HG ARG 102 -5.427 14.845 -9.565 761 2HG ARG 102 2HG ARG 102 -4.856 13.305 -8.954 762 1HD ARG 102 1HD ARG 102 -2.588 14.215 -8.874 763 2HD ARG 102 2HD ARG 102 -3.216 15.764 -9.400 764 HE ARG 102 HE ARG 102 -4.704 15.374 -7.214 765 1HH1 ARG 102 1HH2 ARG 102 -1.274 15.068 -7.676 766 2HH1 ARG 102 2HH2 ARG 102 -0.906 15.364 -5.992 767 1HH2 ARG 102 1HH1 ARG 102 -4.169 15.697 -5.000 768 2HH2 ARG 102 2HH1 ARG 102 -2.483 15.706 -4.535 769 H VAL 103 H VAL 103 -5.501 11.268 -8.940 770 HA VAL 103 HA VAL 103 -2.919 10.252 -8.150 771 HB VAL 103 HB VAL 103 -5.518 10.688 -6.956 772 1HG1 VAL 103 1HG1 VAL 103 -5.540 8.244 -6.751 773 2HG1 VAL 103 2HG1 VAL 103 -3.904 8.311 -6.010 774 3HG1 VAL 103 3HG1 VAL 103 -5.306 9.044 -5.158 775 1HG2 VAL 103 1HG2 VAL 103 -2.672 10.538 -5.900 776 2HG2 VAL 103 2HG2 VAL 103 -3.520 12.019 -6.467 777 3HG2 VAL 103 3HG2 VAL 103 -4.087 11.170 -4.986 778 H ALA 104 H ALA 104 -5.790 9.024 -9.708 779 HA ALA 104 HA ALA 104 -5.362 6.259 -9.295 780 1HB ALA 104 1HB ALA 104 -7.492 7.187 -10.100 781 2HB ALA 104 2HB ALA 104 -6.681 7.717 -11.614 782 3HB ALA 104 3HB ALA 104 -6.852 5.965 -11.251 783 H GLN 105 H GLN 105 -4.383 8.415 -11.987 784 HA GLN 105 HA GLN 105 -2.846 6.372 -13.288 785 1HB GLN 105 1HB GLN 105 -1.986 8.164 -14.667 786 2HB GLN 105 2HB GLN 105 -3.721 8.315 -14.473 787 1HG GLN 105 1HG GLN 105 -3.410 10.046 -12.802 788 2HG GLN 105 2HG GLN 105 -1.671 9.864 -12.908 789 1HE2 GLN 105 2HE2 GLN 105 -2.708 12.331 -13.173 790 2HE2 GLN 105 1HE2 GLN 105 -2.589 12.857 -14.837 791 H ARG 106 H ARG 106 -2.158 8.758 -10.826 792 HA ARG 106 HA ARG 106 0.653 8.760 -10.956 793 1HB ARG 106 1HB ARG 106 -1.270 9.948 -9.346 794 2HB ARG 106 2HB ARG 106 -0.339 8.944 -8.252 795 1HG ARG 106 1HG ARG 106 1.146 10.617 -8.175 796 2HG ARG 106 2HG ARG 106 1.584 10.183 -9.814 797 1HD ARG 106 1HD ARG 106 0.820 12.148 -10.535 798 2HD ARG 106 2HD ARG 106 -0.779 11.734 -9.947 799 HE ARG 106 HE ARG 106 -0.439 13.059 -8.055 800 1HH1 ARG 106 1HH2 ARG 106 2.547 12.781 -9.896 801 2HH1 ARG 106 2HH2 ARG 106 3.347 14.015 -8.951 802 1HH2 ARG 106 1HH1 ARG 106 0.644 14.599 -6.883 803 2HH2 ARG 106 2HH1 ARG 106 2.294 15.022 -7.284 804 H ALA 107 H ALA 107 -1.536 6.902 -8.788 805 HA ALA 107 HA ALA 107 0.434 5.376 -7.547 806 1HB ALA 107 1HB ALA 107 -1.893 5.509 -6.884 807 2HB ALA 107 2HB ALA 107 -2.369 4.645 -8.388 808 3HB ALA 107 3HB ALA 107 -1.400 3.798 -7.132 809 H GLY 108 H GLY 108 -1.237 4.819 -10.590 810 1HA GLY 108 1HA GLY 108 -0.206 2.456 -11.486 811 2HA GLY 108 2HA GLY 108 -0.517 3.850 -12.501 812 H GLU 109 H GLU 109 1.564 5.525 -11.389 813 HA GLU 109 HA GLU 109 3.817 4.853 -12.885 814 1HB GLU 109 1HB GLU 109 3.558 6.588 -10.444 815 2HB GLU 109 2HB GLU 109 5.011 6.491 -11.417 816 1HG GLU 109 1HG GLU 109 3.871 7.368 -13.338 817 2HG GLU 109 2HG GLU 109 2.319 7.255 -12.534 818 H ILE 110 H ILE 110 3.383 4.511 -9.347 819 HA ILE 110 HA ILE 110 5.804 2.986 -9.096 820 HB ILE 110 HB ILE 110 3.505 3.342 -7.201 821 1HG1 ILE 110 1HG1 ILE 110 4.277 5.475 -7.192 822 2HG1 ILE 110 2HG1 ILE 110 5.474 4.791 -6.110 823 1HG2 ILE 110 1HG2 ILE 110 4.807 1.344 -6.691 824 2HG2 ILE 110 2HG2 ILE 110 6.321 2.313 -6.759 825 3HG2 ILE 110 3HG2 ILE 110 5.112 2.624 -5.466 826 1HD1 ILE 110 1HD1 ILE 110 7.044 4.495 -7.997 827 2HD1 ILE 110 2HD1 ILE 110 5.815 5.198 -9.107 828 3HD1 ILE 110 3HD1 ILE 110 6.546 6.214 -7.816 829 H VAL 111 H VAL 111 2.494 2.242 -9.710 830 HA VAL 111 HA VAL 111 2.553 -0.487 -9.110 831 HB VAL 111 HB VAL 111 1.014 1.012 -11.145 832 1HG1 VAL 111 1HG1 VAL 111 1.056 -1.302 -11.861 833 2HG1 VAL 111 2HG1 VAL 111 0.547 -1.821 -10.216 834 3HG1 VAL 111 3HG1 VAL 111 -0.569 -0.850 -11.237 835 1HG2 VAL 111 1HG2 VAL 111 0.347 0.072 -8.346 836 2HG2 VAL 111 2HG2 VAL 111 0.638 1.765 -8.878 837 3HG2 VAL 111 3HG2 VAL 111 -0.805 0.872 -9.473 838 H SER 112 H SER 112 3.099 1.085 -12.276 839 HA SER 112 HA SER 112 3.979 -1.154 -13.668 840 1HB SER 112 1HB SER 112 3.542 1.098 -14.615 841 2HB SER 112 2HB SER 112 5.062 1.637 -13.931 842 HG SER 112 HG SER 112 5.264 1.011 -16.130 843 H SER 113 H SER 113 5.678 0.663 -11.206 844 HA SER 113 HA SER 113 8.265 -0.443 -11.728 845 1HB SER 113 1HB SER 113 8.640 1.352 -10.521 846 2HB SER 113 2HB SER 113 7.044 1.318 -9.801 847 HG SER 113 HG SER 113 8.702 1.171 -8.263 848 H CYS 114 H CYS 114 6.348 -0.941 -8.809 849 HA CYS 114 HA CYS 114 6.622 -3.819 -8.949 850 1HB CYS 114 1HB CYS 114 8.809 -2.812 -8.027 851 2HB CYS 114 2HB CYS 114 7.868 -2.474 -6.588 852 H GLY 115 H GLY 115 4.483 -1.949 -8.982 853 1HA GLY 115 1HA GLY 115 3.107 -2.654 -6.450 854 2HA GLY 115 2HA GLY 115 2.938 -1.079 -7.195 855 H VAL 116 H VAL 116 3.239 -3.908 -9.204 856 HA VAL 116 HA VAL 116 0.762 -3.418 -10.528 857 HB VAL 116 HB VAL 116 2.932 -5.408 -10.821 858 1HG1 VAL 116 1HG1 VAL 116 0.898 -6.789 -11.021 859 2HG1 VAL 116 2HG1 VAL 116 0.241 -5.617 -12.215 860 3HG1 VAL 116 3HG1 VAL 116 1.709 -6.576 -12.612 861 1HG2 VAL 116 1HG2 VAL 116 1.505 -3.529 -12.739 862 2HG2 VAL 116 2HG2 VAL 116 3.087 -3.218 -11.941 863 3HG2 VAL 116 3HG2 VAL 116 2.931 -4.550 -13.138 864 H ARG 117 H ARG 117 -1.084 -3.642 -9.385 865 HA ARG 117 HA ARG 117 -1.645 -6.367 -8.392 866 1HB ARG 117 1HB ARG 117 -1.715 -3.868 -6.773 867 2HB ARG 117 2HB ARG 117 -2.721 -5.246 -6.369 868 1HG ARG 117 1HG ARG 117 -0.932 -5.834 -5.158 869 2HG ARG 117 2HG ARG 117 -0.392 -6.483 -6.694 870 1HD ARG 117 1HD ARG 117 0.383 -3.791 -6.637 871 2HD ARG 117 2HD ARG 117 0.803 -4.475 -5.079 872 HE ARG 117 HE ARG 117 2.258 -4.811 -7.376 873 1HH1 ARG 117 1HH2 ARG 117 0.873 -6.957 -4.977 874 2HH1 ARG 117 2HH2 ARG 117 2.012 -8.231 -5.351 875 1HH2 ARG 117 1HH1 ARG 117 3.604 -6.479 -7.843 876 2HH2 ARG 117 2HH1 ARG 117 3.512 -7.967 -6.926 877 H CYS 118 H CYS 118 -3.607 -3.659 -7.467 878 HA CYS 118 HA CYS 118 -5.658 -4.501 -9.398 879 1HB CYS 118 1HB CYS 118 -5.639 -3.579 -6.706 880 2HB CYS 118 2HB CYS 118 -6.611 -2.497 -7.684 881 H MET 119 H MET 119 -3.174 -2.398 -9.336 882 HA MET 119 HA MET 119 -4.598 -0.247 -10.752 883 1HB MET 119 1HB MET 119 -2.580 -0.268 -8.933 884 2HB MET 119 2HB MET 119 -1.722 -0.065 -10.447 885 1HG MET 119 1HG MET 119 -2.251 2.103 -10.412 886 2HG MET 119 2HG MET 119 -3.944 1.669 -10.534 887 1HE MET 119 1HE MET 119 -4.472 3.915 -9.212 888 2HE MET 119 2HE MET 119 -5.552 2.504 -8.940 889 3HE MET 119 3HE MET 119 -5.035 3.522 -7.550 890 H ARG 120 H ARG 120 -3.315 -3.136 -11.548 891 HA ARG 120 HA ARG 120 -3.084 -2.443 -14.347 892 1HB ARG 120 1HB ARG 120 -0.822 -1.964 -13.657 893 2HB ARG 120 2HB ARG 120 -0.714 -3.503 -12.827 894 1HG ARG 120 1HG ARG 120 0.087 -4.411 -14.709 895 2HG ARG 120 2HG ARG 120 -1.458 -4.102 -15.474 896 1HD ARG 120 1HD ARG 120 -0.561 -1.745 -15.898 897 2HD ARG 120 2HD ARG 120 1.011 -2.417 -15.514 898 HE ARG 120 HE ARG 120 0.059 -4.173 -17.365 899 1HH1 ARG 120 1HH2 ARG 120 0.404 -0.691 -17.393 900 2HH1 ARG 120 2HH2 ARG 120 0.594 -0.631 -19.131 901 1HH2 ARG 120 1HH1 ARG 120 0.297 -4.028 -19.589 902 2HH2 ARG 120 2HH1 ARG 120 0.536 -2.465 -20.337 903 H GLN 121 H GLN 121 -2.470 -4.931 -11.889 904 HA GLN 121 HA GLN 121 -3.488 -6.983 -13.721 905 1HB GLN 121 1HB GLN 121 -1.532 -6.922 -11.656 906 2HB GLN 121 2HB GLN 121 -2.770 -8.074 -11.199 907 1HG GLN 121 1HG GLN 121 -1.446 -8.039 -13.903 908 2HG GLN 121 2HG GLN 121 -0.891 -9.031 -12.570 909 1HE2 GLN 121 2HE2 GLN 121 -1.472 -11.128 -12.948 910 2HE2 GLN 121 1HE2 GLN 121 -3.035 -11.630 -13.552 911 H THR 122 H THR 122 -4.478 -8.749 -11.853 912 HA THR 122 HA THR 122 -6.802 -7.454 -10.627 913 HB THR 122 HB THR 122 -8.249 -9.165 -11.782 914 HG1 THR 122 1HG THR 122 -7.513 -9.902 -13.808 915 1HG2 THR 122 1HG2 THR 122 -8.256 -6.806 -12.393 916 2HG2 THR 122 2HG2 THR 122 -6.852 -7.088 -13.482 917 3HG2 THR 122 3HG2 THR 122 -8.441 -7.845 -13.849 918 H ARG 123 H ARG 123 -8.215 -9.475 -9.664 919 HA ARG 123 HA ARG 123 -6.750 -10.549 -7.551 920 1HB ARG 123 1HB ARG 123 -8.641 -11.930 -7.131 921 2HB ARG 123 2HB ARG 123 -9.233 -10.416 -7.788 922 1HG ARG 123 1HG ARG 123 -8.913 -11.873 -10.059 923 2HG ARG 123 2HG ARG 123 -9.344 -13.131 -8.918 924 1HD ARG 123 1HD ARG 123 -11.198 -11.251 -8.334 925 2HD ARG 123 2HD ARG 123 -10.977 -10.982 -10.051 926 HE ARG 123 HE ARG 123 -12.344 -13.161 -8.833 927 1HH1 ARG 123 1HH2 ARG 123 -10.254 -12.488 -11.574 928 2HH1 ARG 123 2HH2 ARG 123 -10.852 -13.865 -12.473 929 1HH2 ARG 123 1HH1 ARG 123 -13.038 -14.904 -10.031 930 2HH2 ARG 123 2HH1 ARG 123 -12.378 -15.189 -11.626 931 H THR 124 H THR 124 -5.599 -12.365 -7.126 932 HA THR 124 HA THR 124 -5.197 -14.264 -9.346 933 HB THR 124 HB THR 124 -2.833 -14.101 -9.351 934 HG1 THR 124 1HG THR 124 -1.726 -12.633 -7.995 935 1HG2 THR 124 1HG2 THR 124 -3.906 -12.238 -10.595 936 2HG2 THR 124 2HG2 THR 124 -3.866 -11.256 -9.089 937 3HG2 THR 124 3HG2 THR 124 -2.329 -11.758 -9.875 938 H ASN 125 H ASN 125 -4.607 -13.396 -5.970 939 HA ASN 125 HA ASN 125 -4.306 -14.658 -4.090 940 1HB ASN 125 1HB ASN 125 -6.576 -15.404 -5.185 941 2HB ASN 125 2HB ASN 125 -5.726 -16.924 -5.375 942 1HD2 ASN 125 2HD2 ASN 125 -7.956 -15.650 -3.649 943 2HD2 ASN 125 1HD2 ASN 125 -7.610 -16.275 -2.052 Start of MODEL 2 1 1H ALA 1 1H ALA 1 -1.296 19.510 -30.228 2 2H ALA 1 2H ALA 1 0.127 20.302 -29.926 3 3H ALA 1 3H ALA 1 -0.218 19.772 -31.457 4 HA ALA 1 HA ALA 1 -0.167 17.515 -30.717 5 1HB ALA 1 1HB ALA 1 1.871 18.469 -31.693 6 2HB ALA 1 2HB ALA 1 2.349 19.088 -30.074 7 3HB ALA 1 3HB ALA 1 2.269 17.316 -30.372 8 H GLU 2 H GLU 2 -1.593 17.113 -29.033 9 HA GLU 2 HA GLU 2 -0.313 16.595 -26.499 10 1HB GLU 2 1HB GLU 2 -1.679 18.029 -25.099 11 2HB GLU 2 2HB GLU 2 -0.756 19.009 -26.220 12 1HG GLU 2 1HG GLU 2 -3.020 18.658 -27.654 13 2HG GLU 2 2HG GLU 2 -3.674 18.609 -26.030 14 H PHE 3 H PHE 3 -1.602 15.337 -25.102 15 HA PHE 3 HA PHE 3 -4.325 14.668 -25.606 16 1HB PHE 3 1HB PHE 3 -3.015 13.702 -27.629 17 2HB PHE 3 2HB PHE 3 -2.413 12.528 -26.476 18 HD1 PHE 3 1HD PHE 3 -3.486 10.522 -26.312 19 HD2 PHE 3 2HD PHE 3 -5.679 14.018 -27.577 20 HE1 PHE 3 1HE PHE 3 -5.521 9.119 -26.653 21 HE2 PHE 3 2HE PHE 3 -7.717 12.613 -27.920 22 HZ PHE 3 HZ PHE 3 -7.632 10.166 -27.457 23 H MET 4 H MET 4 -5.027 12.818 -24.303 24 HA MET 4 HA MET 4 -3.453 11.233 -22.663 25 1HB MET 4 1HB MET 4 -3.316 13.928 -21.802 26 2HB MET 4 2HB MET 4 -4.310 13.064 -20.645 27 1HG MET 4 1HG MET 4 -2.591 11.522 -20.161 28 2HG MET 4 2HG MET 4 -1.667 11.988 -21.575 29 1HE MET 4 1HE MET 4 0.122 11.803 -19.293 30 2HE MET 4 2HE MET 4 0.579 12.676 -20.797 31 3HE MET 4 3HE MET 4 0.902 13.420 -19.192 32 H GLU 5 H GLU 5 -4.751 9.726 -21.877 33 HA GLU 5 HA GLU 5 -7.396 10.462 -20.853 34 1HB GLU 5 1HB GLU 5 -8.599 8.930 -22.250 35 2HB GLU 5 2HB GLU 5 -7.701 10.018 -23.289 36 1HG GLU 5 1HG GLU 5 -7.008 8.133 -24.324 37 2HG GLU 5 2HG GLU 5 -5.915 7.972 -22.964 38 H SER 6 H SER 6 -8.459 8.572 -19.837 39 HA SER 6 HA SER 6 -7.360 6.102 -19.323 40 1HB SER 6 1HB SER 6 -6.381 6.507 -17.002 41 2HB SER 6 2HB SER 6 -5.364 6.917 -18.369 42 HG SER 6 HG SER 6 -5.389 8.570 -16.770 43 H LYS 7 H LYS 7 -8.342 5.033 -17.490 44 HA LYS 7 HA LYS 7 -10.015 6.133 -15.589 45 1HB LYS 7 1HB LYS 7 -11.199 6.387 -18.168 46 2HB LYS 7 2HB LYS 7 -12.118 5.203 -17.261 47 1HG LYS 7 1HG LYS 7 -11.870 7.012 -15.330 48 2HG LYS 7 2HG LYS 7 -11.686 8.099 -16.692 49 1HD LYS 7 1HD LYS 7 -13.842 6.566 -17.438 50 2HD LYS 7 2HD LYS 7 -14.074 6.734 -15.709 51 1HE LYS 7 1HE LYS 7 -15.114 8.660 -16.381 52 2HE LYS 7 2HE LYS 7 -13.475 9.272 -16.275 53 1HZ LYS 7 1HZ LYS 7 -13.214 8.839 -18.611 54 2HZ LYS 7 2HZ LYS 7 -14.762 8.261 -18.712 55 3HZ LYS 7 3HZ LYS 7 -14.497 9.855 -18.355 56 H GLY 8 H GLY 8 -11.360 4.536 -14.496 57 1HA GLY 8 1HA GLY 8 -12.041 2.115 -14.587 58 2HA GLY 8 2HA GLY 8 -10.400 1.787 -15.106 59 H GLU 9 H GLU 9 -12.511 2.275 -12.480 60 HA GLU 9 HA GLU 9 -10.544 1.350 -10.601 61 1HB GLU 9 1HB GLU 9 -10.039 3.836 -10.867 62 2HB GLU 9 2HB GLU 9 -11.571 4.113 -10.063 63 1HG GLU 9 1HG GLU 9 -10.065 2.166 -8.592 64 2HG GLU 9 2HG GLU 9 -9.068 3.580 -8.869 65 H ARG 10 H ARG 10 -11.455 0.641 -8.669 66 HA ARG 10 HA ARG 10 -14.221 1.350 -8.048 67 1HB ARG 10 1HB ARG 10 -13.916 -0.719 -9.731 68 2HB ARG 10 2HB ARG 10 -13.719 -1.566 -8.210 69 1HG ARG 10 1HG ARG 10 -15.927 0.222 -7.961 70 2HG ARG 10 2HG ARG 10 -16.134 -0.707 -9.433 71 1HD ARG 10 1HD ARG 10 -15.323 -2.608 -7.622 72 2HD ARG 10 2HD ARG 10 -16.337 -1.556 -6.654 73 HE ARG 10 HE ARG 10 -17.822 -1.977 -8.916 74 1HH1 ARG 10 1HH2 ARG 10 -16.310 -4.141 -6.608 75 2HH1 ARG 10 2HH2 ARG 10 -17.509 -5.389 -6.859 76 1HH2 ARG 10 1HH1 ARG 10 -19.321 -3.599 -9.190 77 2HH2 ARG 10 2HH1 ARG 10 -19.174 -5.089 -8.288 78 H GLU 11 H GLU 11 -14.910 0.277 -6.000 79 HA GLU 11 HA GLU 11 -12.770 -0.752 -4.307 80 1HB GLU 11 1HB GLU 11 -13.333 1.973 -4.258 81 2HB GLU 11 2HB GLU 11 -14.143 1.321 -2.848 82 1HG GLU 11 1HG GLU 11 -11.431 0.284 -3.316 83 2HG GLU 11 2HG GLU 11 -11.508 1.990 -2.927 84 H GLY 12 H GLY 12 -14.088 -0.545 -1.843 85 1HA GLY 12 1HA GLY 12 -15.766 -1.455 -0.574 86 2HA GLY 12 2HA GLY 12 -16.843 -1.253 -1.941 87 H SER 13 H SER 13 -14.169 -3.270 -0.755 88 HA SER 13 HA SER 13 -15.479 -5.736 -1.049 89 1HB SER 13 1HB SER 13 -14.846 -4.768 -3.546 90 2HB SER 13 2HB SER 13 -13.516 -5.850 -3.188 91 HG SER 13 HG SER 13 -15.233 -6.900 -4.266 92 H SER 14 H SER 14 -13.784 -4.352 0.755 93 HA SER 14 HA SER 14 -11.152 -5.312 0.703 94 1HB SER 14 1HB SER 14 -11.337 -4.996 3.254 95 2HB SER 14 2HB SER 14 -11.384 -3.613 2.179 96 HG SER 14 HG SER 14 -13.011 -3.533 3.781 97 H SER 15 H SER 15 -10.065 -6.969 1.835 98 HA SER 15 HA SER 15 -11.353 -9.491 1.675 99 1HB SER 15 1HB SER 15 -8.756 -8.582 2.090 100 2HB SER 15 2HB SER 15 -9.144 -9.496 3.533 101 HG SER 15 HG SER 15 -8.312 -10.821 1.855 102 H GLN 16 H GLN 16 -10.977 -10.990 3.827 103 HA GLN 16 HA GLN 16 -13.165 -10.395 5.486 104 1HB GLN 16 1HB GLN 16 -11.932 -12.614 5.131 105 2HB GLN 16 2HB GLN 16 -10.833 -12.056 6.376 106 1HG GLN 16 1HG GLN 16 -12.304 -12.939 7.840 107 2HG GLN 16 2HG GLN 16 -13.296 -11.540 7.484 108 1HE2 GLN 16 2HE2 GLN 16 -13.497 -14.742 7.872 109 2HE2 GLN 16 1HE2 GLN 16 -14.760 -15.135 6.727 110 H GLN 17 H GLN 17 -9.707 -9.796 5.956 111 HA GLN 17 HA GLN 17 -10.103 -7.447 7.459 112 1HB GLN 17 1HB GLN 17 -10.677 -9.581 9.047 113 2HB GLN 17 2HB GLN 17 -8.956 -9.419 9.331 114 1HG GLN 17 1HG GLN 17 -9.541 -6.874 9.571 115 2HG GLN 17 2HG GLN 17 -11.153 -7.480 9.896 116 1HE2 GLN 17 2HE2 GLN 17 -9.621 -6.032 11.763 117 2HE2 GLN 17 1HE2 GLN 17 -9.230 -7.097 13.095 118 H CYS 18 H CYS 18 -8.568 -8.306 5.207 119 HA CYS 18 HA CYS 18 -5.871 -8.755 6.149 120 1HB CYS 18 1HB CYS 18 -7.231 -8.819 3.674 121 2HB CYS 18 2HB CYS 18 -5.934 -7.648 3.547 122 H ARG 19 H ARG 19 -7.989 -5.962 5.549 123 HA ARG 19 HA ARG 19 -6.378 -3.887 4.954 124 1HB ARG 19 1HB ARG 19 -8.848 -4.178 6.139 125 2HB ARG 19 2HB ARG 19 -7.927 -3.276 7.326 126 1HG ARG 19 1HG ARG 19 -7.894 -1.418 6.047 127 2HG ARG 19 2HG ARG 19 -7.539 -2.325 4.591 128 1HD ARG 19 1HD ARG 19 -10.006 -3.096 4.738 129 2HD ARG 19 2HD ARG 19 -10.207 -1.739 5.828 130 HE ARG 19 HE ARG 19 -10.096 -0.296 4.035 131 1HH1 ARG 19 1HH2 ARG 19 -8.720 -3.367 3.142 132 2HH1 ARG 19 2HH2 ARG 19 -8.561 -2.938 1.454 133 1HH2 ARG 19 1HH1 ARG 19 -9.925 0.243 1.879 134 2HH2 ARG 19 2HH1 ARG 19 -9.242 -0.897 0.741 135 H GLN 20 H GLN 20 -6.717 -5.179 8.265 136 HA GLN 20 HA GLN 20 -4.830 -3.653 9.546 137 1HB GLN 20 1HB GLN 20 -4.373 -5.755 10.905 138 2HB GLN 20 2HB GLN 20 -6.004 -5.116 10.897 139 1HG GLN 20 1HG GLN 20 -6.808 -7.004 10.065 140 2HG GLN 20 2HG GLN 20 -5.665 -6.962 8.739 141 1HE2 GLN 20 2HE2 GLN 20 -3.282 -7.344 9.802 142 2HE2 GLN 20 1HE2 GLN 20 -3.195 -8.855 10.678 143 H GLU 21 H GLU 21 -4.044 -6.785 7.921 144 HA GLU 21 HA GLU 21 -1.236 -6.333 8.093 145 1HB GLU 21 1HB GLU 21 -3.056 -8.275 6.796 146 2HB GLU 21 2HB GLU 21 -1.409 -8.183 6.207 147 1HG GLU 21 1HG GLU 21 -1.382 -8.138 9.075 148 2HG GLU 21 2HG GLU 21 -2.339 -9.503 8.535 149 H VAL 22 H VAL 22 -3.606 -5.384 5.748 150 HA VAL 22 HA VAL 22 -1.884 -4.951 3.538 151 HB VAL 22 HB VAL 22 -4.543 -3.734 4.137 152 1HG1 VAL 22 1HG1 VAL 22 -3.354 -2.590 2.381 153 2HG1 VAL 22 2HG1 VAL 22 -3.086 -4.159 1.545 154 3HG1 VAL 22 3HG1 VAL 22 -4.753 -3.510 1.726 155 1HG2 VAL 22 1HG2 VAL 22 -3.944 -6.273 2.593 156 2HG2 VAL 22 2HG2 VAL 22 -4.760 -6.176 4.192 157 3HG2 VAL 22 3HG2 VAL 22 -5.552 -5.481 2.735 158 H GLN 23 H GLN 23 -3.084 -3.015 6.230 159 HA GLN 23 HA GLN 23 -1.748 -0.655 5.283 160 1HB GLN 23 1HB GLN 23 -3.105 -1.179 7.899 161 2HB GLN 23 2HB GLN 23 -2.556 0.380 7.317 162 1HG GLN 23 1HG GLN 23 -4.085 -0.429 5.246 163 2HG GLN 23 2HG GLN 23 -4.926 -1.179 6.588 164 1HE2 GLN 23 2HE2 GLN 23 -6.612 0.340 5.620 165 2HE2 GLN 23 1HE2 GLN 23 -6.665 1.954 6.291 166 H ARG 24 H ARG 24 0.048 -2.768 5.495 167 HA ARG 24 HA ARG 24 1.955 -1.642 7.382 168 1HB ARG 24 1HB ARG 24 1.150 -4.531 7.537 169 2HB ARG 24 2HB ARG 24 2.430 -3.763 8.455 170 1HG ARG 24 1HG ARG 24 0.696 -2.288 9.459 171 2HG ARG 24 2HG ARG 24 -0.512 -3.291 8.681 172 1HD ARG 24 1HD ARG 24 0.854 -5.196 9.919 173 2HD ARG 24 2HD ARG 24 1.216 -3.865 10.999 174 HE ARG 24 HE ARG 24 -1.585 -4.184 10.320 175 1HH1 ARG 24 1HH2 ARG 24 0.873 -4.933 12.628 176 2HH1 ARG 24 2HH2 ARG 24 -0.280 -5.322 13.885 177 1HH2 ARG 24 1HH1 ARG 24 -3.053 -4.707 11.907 178 2HH2 ARG 24 2HH1 ARG 24 -2.475 -5.197 13.484 179 H LYS 25 H LYS 25 1.147 -4.071 4.955 180 HA LYS 25 HA LYS 25 3.919 -3.906 3.947 181 1HB LYS 25 1HB LYS 25 3.303 -6.383 3.229 182 2HB LYS 25 2HB LYS 25 4.185 -5.973 4.686 183 1HG LYS 25 1HG LYS 25 1.233 -6.248 4.770 184 2HG LYS 25 2HG LYS 25 2.253 -7.673 4.781 185 1HD LYS 25 1HD LYS 25 2.800 -5.436 6.680 186 2HD LYS 25 2HD LYS 25 1.531 -6.592 7.035 187 1HE LYS 25 1HE LYS 25 3.284 -7.601 8.081 188 2HE LYS 25 2HE LYS 25 3.430 -8.325 6.491 189 1HZ LYS 25 1HZ LYS 25 5.051 -6.659 5.935 190 2HZ LYS 25 2HZ LYS 25 4.914 -5.976 7.437 191 3HZ LYS 25 3HZ LYS 25 5.530 -7.504 7.275 192 H ASP 26 H ASP 26 0.962 -5.565 3.007 193 HA ASP 26 HA ASP 26 1.053 -5.419 0.288 194 1HB ASP 26 1HB ASP 26 -1.460 -4.605 1.667 195 2HB ASP 26 2HB ASP 26 -1.263 -5.598 0.237 196 H LEU 27 H LEU 27 0.649 -3.830 -1.295 197 HA LEU 27 HA LEU 27 1.452 -1.506 -1.556 198 1HB LEU 27 1HB LEU 27 -1.439 -2.085 -2.008 199 2HB LEU 27 2HB LEU 27 -0.661 -0.628 -2.590 200 HG LEU 27 HG LEU 27 -0.701 -2.074 -4.368 201 1HD1 LEU 27 1HD1 LEU 27 1.391 -0.956 -4.191 202 2HD1 LEU 27 2HD1 LEU 27 2.033 -2.290 -3.169 203 3HD1 LEU 27 3HD1 LEU 27 1.609 -2.600 -4.888 204 1HD2 LEU 27 1HD2 LEU 27 0.357 -4.250 -2.603 205 2HD2 LEU 27 2HD2 LEU 27 -1.299 -4.109 -3.288 206 3HD2 LEU 27 3HD2 LEU 27 0.105 -4.365 -4.380 207 H SER 28 H SER 28 2.126 -0.462 0.337 208 HA SER 28 HA SER 28 0.085 1.069 1.800 209 1HB SER 28 1HB SER 28 0.014 -0.861 3.209 210 2HB SER 28 2HB SER 28 1.763 -0.976 3.233 211 HG SER 28 HG SER 28 0.914 -0.110 5.174 212 H SER 29 H SER 29 2.042 1.664 -0.108 213 HA SER 29 HA SER 29 3.341 3.805 1.204 214 1HB SER 29 1HB SER 29 4.725 1.465 1.666 215 2HB SER 29 2HB SER 29 5.515 2.120 0.246 216 HG SER 29 HG SER 29 6.426 2.914 2.200 217 H CYS 30 H CYS 30 3.205 1.510 -1.514 218 HA CYS 30 HA CYS 30 4.611 2.932 -3.442 219 1HB CYS 30 1HB CYS 30 2.002 1.509 -3.831 220 2HB CYS 30 2HB CYS 30 3.238 1.789 -5.040 221 H GLU 31 H GLU 31 1.132 3.224 -2.628 222 HA GLU 31 HA GLU 31 0.802 5.574 -4.275 223 1HB GLU 31 1HB GLU 31 -0.846 3.831 -2.766 224 2HB GLU 31 2HB GLU 31 -1.141 5.464 -2.202 225 1HG GLU 31 1HG GLU 31 -0.967 4.992 -5.103 226 2HG GLU 31 2HG GLU 31 -2.408 4.459 -4.262 227 H ARG 32 H ARG 32 1.601 5.000 -0.870 228 HA ARG 32 HA ARG 32 1.330 7.668 0.019 229 1HB ARG 32 1HB ARG 32 1.800 5.488 1.325 230 2HB ARG 32 2HB ARG 32 3.483 5.861 1.016 231 1HG ARG 32 1HG ARG 32 3.102 8.117 2.011 232 2HG ARG 32 2HG ARG 32 1.483 7.607 2.441 233 1HD ARG 32 1HD ARG 32 3.924 6.085 3.306 234 2HD ARG 32 2HD ARG 32 3.261 7.400 4.255 235 HE ARG 32 HE ARG 32 1.262 5.441 3.567 236 1HH1 ARG 32 1HH2 ARG 32 3.824 6.136 5.840 237 2HH1 ARG 32 2HH2 ARG 32 3.129 5.124 7.087 238 1HH2 ARG 32 1HH1 ARG 32 0.401 4.157 5.182 239 2HH2 ARG 32 2HH1 ARG 32 1.223 4.022 6.720 240 H TYR 33 H TYR 33 3.892 6.145 -1.821 241 HA TYR 33 HA TYR 33 6.014 7.920 -1.429 242 1HB TYR 33 1HB TYR 33 6.136 5.709 -2.482 243 2HB TYR 33 2HB TYR 33 5.194 6.308 -3.832 244 HD1 TYR 33 1HD TYR 33 6.284 7.026 -5.742 245 HD2 TYR 33 2HD TYR 33 8.314 7.073 -1.945 246 HE1 TYR 33 1HE TYR 33 8.379 7.761 -6.889 247 HE2 TYR 33 2HE TYR 33 10.367 7.865 -3.089 248 HH TYR 33 HH TYR 33 11.394 8.268 -4.987 249 H LEU 34 H LEU 34 3.445 7.810 -3.920 250 HA LEU 34 HA LEU 34 4.298 10.320 -5.055 251 1HB LEU 34 1HB LEU 34 2.700 9.951 -6.644 252 2HB LEU 34 2HB LEU 34 3.063 8.320 -6.120 253 HG LEU 34 HG LEU 34 1.040 8.825 -4.489 254 1HD1 LEU 34 1HD1 LEU 34 0.608 11.086 -5.243 255 2HD1 LEU 34 2HD1 LEU 34 0.376 10.485 -6.921 256 3HD1 LEU 34 3HD1 LEU 34 -0.779 10.008 -5.627 257 1HD2 LEU 34 1HD2 LEU 34 0.810 7.921 -7.347 258 2HD2 LEU 34 2HD2 LEU 34 1.249 6.916 -5.922 259 3HD2 LEU 34 3HD2 LEU 34 -0.400 7.617 -6.054 260 H ARG 35 H ARG 35 2.192 9.349 -2.457 261 HA ARG 35 HA ARG 35 0.657 11.742 -2.304 262 1HB ARG 35 1HB ARG 35 0.075 9.570 -1.224 263 2HB ARG 35 2HB ARG 35 1.368 9.851 -0.074 264 1HG ARG 35 1HG ARG 35 -0.012 12.209 0.028 265 2HG ARG 35 2HG ARG 35 -1.298 11.045 -0.220 266 1HD ARG 35 1HD ARG 35 -1.218 10.542 1.954 267 2HD ARG 35 2HD ARG 35 0.414 9.945 1.731 268 HE ARG 35 HE ARG 35 1.219 11.805 2.818 269 1HH1 ARG 35 1HH2 ARG 35 -2.061 12.456 1.791 270 2HH1 ARG 35 2HH2 ARG 35 -2.101 14.021 2.572 271 1HH2 ARG 35 1HH1 ARG 35 1.132 13.834 3.771 272 2HH2 ARG 35 2HH1 ARG 35 -0.334 14.784 3.667 273 H GLN 36 H GLN 36 3.729 10.694 -0.887 274 HA GLN 36 HA GLN 36 4.051 13.125 0.628 275 1HB GLN 36 1HB GLN 36 5.210 10.546 0.603 276 2HB GLN 36 2HB GLN 36 6.503 11.702 0.355 277 1HG GLN 36 1HG GLN 36 5.165 12.962 2.314 278 2HG GLN 36 2HG GLN 36 4.753 11.305 2.711 279 1HE2 GLN 36 2HE2 GLN 36 7.290 13.685 2.514 280 2HE2 GLN 36 1HE2 GLN 36 8.527 12.737 3.310 281 H SER 37 H SER 37 6.701 13.769 0.297 282 HA SER 37 HA SER 37 6.597 15.280 -2.184 283 1HB SER 37 1HB SER 37 7.538 15.834 0.279 284 2HB SER 37 2HB SER 37 9.022 15.345 -0.513 285 HG SER 37 HG SER 37 8.585 17.586 -0.775 286 H SER 38 H SER 38 9.512 15.356 -2.444 287 HA SER 38 HA SER 38 9.953 12.767 -3.799 288 1HB SER 38 1HB SER 38 11.379 13.997 -5.361 289 2HB SER 38 2HB SER 38 9.726 14.578 -5.368 290 HG SER 38 HG SER 38 11.259 16.297 -5.304 291 H SER 39 H SER 39 10.508 12.660 -1.190 292 HA SER 39 HA SER 39 13.410 12.334 -1.267 293 1HB SER 39 1HB SER 39 13.858 13.665 0.688 294 2HB SER 39 2HB SER 39 13.089 14.671 -0.521 295 HG SER 39 HG SER 39 12.191 14.974 1.569 296 H ARG 40 H ARG 40 14.211 10.886 0.317 297 HA ARG 40 HA ARG 40 12.117 9.168 1.449 298 1HB ARG 40 1HB ARG 40 13.975 8.189 0.242 299 2HB ARG 40 2HB ARG 40 15.089 8.878 1.404 300 1HG ARG 40 1HG ARG 40 14.131 7.524 3.176 301 2HG ARG 40 2HG ARG 40 12.927 6.890 2.072 302 1HD ARG 40 1HD ARG 40 15.814 6.242 2.304 303 2HD ARG 40 2HD ARG 40 14.444 5.174 2.069 304 HE ARG 40 HE ARG 40 14.687 5.357 -0.228 305 1HH1 ARG 40 1HH2 ARG 40 16.868 7.629 1.379 306 2HH1 ARG 40 2HH2 ARG 40 17.563 8.159 -0.135 307 1HH2 ARG 40 1HH1 ARG 40 15.568 6.211 -2.120 308 2HH2 ARG 40 2HH1 ARG 40 16.857 7.390 -2.030 309 H ARG 41 H ARG 41 11.339 10.704 3.002 310 HA ARG 41 HA ARG 41 12.957 11.835 5.011 311 1HB ARG 41 1HB ARG 41 10.555 12.384 4.562 312 2HB ARG 41 2HB ARG 41 10.120 10.868 5.325 313 1HG ARG 41 1HG ARG 41 9.940 12.624 6.977 314 2HG ARG 41 2HG ARG 41 11.320 11.626 7.383 315 1HD ARG 41 1HD ARG 41 12.299 13.624 5.669 316 2HD ARG 41 2HD ARG 41 11.236 14.441 6.797 317 HE ARG 41 HE ARG 41 12.785 12.794 8.376 318 1HH1 ARG 41 1HH2 ARG 41 13.493 15.336 6.084 319 2HH1 ARG 41 2HH2 ARG 41 14.957 15.813 6.916 320 1HH2 ARG 41 1HH1 ARG 41 14.650 13.444 9.416 321 2HH2 ARG 41 2HH1 ARG 41 15.599 14.762 8.765 322 H SER 42 H SER 42 13.940 11.049 6.781 323 HA SER 42 HA SER 42 13.009 8.747 8.211 324 1HB SER 42 1HB SER 42 15.384 8.405 6.395 325 2HB SER 42 2HB SER 42 15.159 7.423 7.828 326 HG SER 42 HG SER 42 14.315 6.428 5.943 327 H THR 43 H THR 43 13.748 8.862 10.239 328 HA THR 43 HA THR 43 15.780 10.901 10.839 329 HB THR 43 HB THR 43 13.829 9.398 12.559 330 HG1 THR 43 1HG THR 43 12.924 11.532 12.578 331 1HG2 THR 43 1HG2 THR 43 15.822 10.050 13.925 332 2HG2 THR 43 2HG2 THR 43 15.613 11.735 13.334 333 3HG2 THR 43 3HG2 THR 43 14.343 10.977 14.355 334 H GLY 44 H GLY 44 16.015 7.836 9.906 335 1HA GLY 44 1HA GLY 44 17.889 6.867 11.918 336 2HA GLY 44 2HA GLY 44 17.420 6.061 10.436 337 H GLU 45 H GLU 45 19.009 5.794 9.062 338 HA GLU 45 HA GLU 45 20.686 8.017 8.259 339 1HB GLU 45 1HB GLU 45 21.838 7.330 10.326 340 2HB GLU 45 2HB GLU 45 21.978 5.701 9.694 341 1HG GLU 45 1HG GLU 45 23.323 6.532 7.819 342 2HG GLU 45 2HG GLU 45 23.162 8.171 8.419 343 H GLU 46 H GLU 46 20.415 4.458 8.348 344 HA GLU 46 HA GLU 46 20.633 4.438 5.409 345 1HB GLU 46 1HB GLU 46 22.742 3.605 7.045 346 2HB GLU 46 2HB GLU 46 21.977 2.136 6.470 347 1HG GLU 46 1HG GLU 46 22.211 2.831 4.179 348 2HG GLU 46 2HG GLU 46 22.750 4.425 4.665 349 H VAL 47 H VAL 47 18.725 3.734 4.793 350 HA VAL 47 HA VAL 47 17.345 1.716 6.401 351 HB VAL 47 HB VAL 47 16.373 3.822 5.293 352 1HG1 VAL 47 1HG1 VAL 47 17.111 3.408 3.008 353 2HG1 VAL 47 2HG1 VAL 47 16.175 1.873 2.983 354 3HG1 VAL 47 3HG1 VAL 47 15.316 3.449 3.103 355 1HG2 VAL 47 1HG2 VAL 47 14.957 1.148 5.206 356 2HG2 VAL 47 2HG2 VAL 47 15.087 2.249 6.622 357 3HG2 VAL 47 3HG2 VAL 47 14.152 2.756 5.172 358 H LEU 48 H LEU 48 19.861 1.084 4.932 359 HA LEU 48 HA LEU 48 18.846 -0.957 3.049 360 1HB LEU 48 1HB LEU 48 21.475 0.442 3.313 361 2HB LEU 48 2HB LEU 48 21.284 -1.007 2.347 362 HG LEU 48 HG LEU 48 19.537 1.379 1.917 363 1HD1 LEU 48 1HD1 LEU 48 21.831 2.210 1.790 364 2HD1 LEU 48 2HD1 LEU 48 22.249 0.880 0.655 365 3HD1 LEU 48 3HD1 LEU 48 21.084 2.155 0.155 366 1HD2 LEU 48 1HD2 LEU 48 20.420 -0.880 0.088 367 2HD2 LEU 48 2HD2 LEU 48 18.811 -0.721 0.874 368 3HD2 LEU 48 3HD2 LEU 48 19.324 0.470 -0.371 369 H ARG 49 H ARG 49 18.207 -1.757 5.406 370 HA ARG 49 HA ARG 49 20.396 -3.504 6.356 371 1HB ARG 49 1HB ARG 49 18.736 -1.837 7.782 372 2HB ARG 49 2HB ARG 49 18.051 -3.426 8.048 373 1HG ARG 49 1HG ARG 49 20.955 -3.437 8.223 374 2HG ARG 49 2HG ARG 49 20.226 -2.349 9.387 375 1HD ARG 49 1HD ARG 49 20.155 -4.273 10.613 376 2HD ARG 49 2HD ARG 49 18.628 -4.434 9.767 377 HE ARG 49 HE ARG 49 20.307 -5.691 8.072 378 1HH1 ARG 49 1HH2 ARG 49 19.896 -6.028 11.524 379 2HH1 ARG 49 2HH2 ARG 49 20.386 -7.707 11.517 380 1HH2 ARG 49 1HH1 ARG 49 20.927 -7.846 8.109 381 2HH2 ARG 49 2HH1 ARG 49 20.956 -8.712 9.629 382 H MET 50 H MET 50 18.660 -3.925 3.976 383 HA MET 50 HA MET 50 17.818 -6.643 4.700 384 1HB MET 50 1HB MET 50 16.065 -4.454 3.713 385 2HB MET 50 2HB MET 50 15.756 -6.089 3.164 386 1HG MET 50 1HG MET 50 14.561 -6.301 5.062 387 2HG MET 50 2HG MET 50 16.117 -6.446 5.854 388 1HE MET 50 1HE MET 50 13.701 -5.620 7.547 389 2HE MET 50 2HE MET 50 15.390 -5.631 8.164 390 3HE MET 50 3HE MET 50 14.339 -4.200 8.447 391 HA PRO 51 HA PRO 51 19.414 -7.623 0.767 392 1HB PRO 51 1HB PRO 51 17.891 -9.834 0.096 393 2HB PRO 51 2HB PRO 51 19.266 -9.868 1.180 394 1HG PRO 51 1HG PRO 51 16.403 -10.061 1.823 395 2HG PRO 51 2HG PRO 51 17.783 -10.512 2.803 396 1HD PRO 51 1HD PRO 51 16.191 -8.171 3.057 397 2HD PRO 51 2HD PRO 51 17.642 -8.564 3.955 398 H GLY 52 H GLY 52 18.285 -5.488 0.205 399 1HA GLY 52 1HA GLY 52 16.103 -5.891 -1.732 400 2HA GLY 52 2HA GLY 52 16.597 -4.364 -1.027 401 H ASP 53 H ASP 53 19.128 -6.528 -2.099 402 HA ASP 53 HA ASP 53 20.371 -4.686 -3.781 403 1HB ASP 53 1HB ASP 53 20.792 -7.307 -2.970 404 2HB ASP 53 2HB ASP 53 20.625 -7.434 -4.709 405 H GLU 54 H GLU 54 18.032 -7.247 -4.575 406 HA GLU 54 HA GLU 54 17.915 -6.451 -7.373 407 1HB GLU 54 1HB GLU 54 16.996 -8.692 -5.753 408 2HB GLU 54 2HB GLU 54 15.838 -8.196 -6.971 409 1HG GLU 54 1HG GLU 54 18.655 -8.379 -7.846 410 2HG GLU 54 2HG GLU 54 17.858 -9.896 -7.482 411 H ASN 55 H ASN 55 17.413 -4.176 -6.515 412 HA ASN 55 HA ASN 55 14.463 -3.896 -6.412 413 1HB ASN 55 1HB ASN 55 14.765 -1.909 -5.120 414 2HB ASN 55 2HB ASN 55 15.681 -3.190 -4.353 415 1HD2 ASN 55 2HD2 ASN 55 15.817 -0.120 -5.916 416 2HD2 ASN 55 1HD2 ASN 55 17.544 0.124 -5.791 417 H GLN 56 H GLN 56 13.540 -2.202 -7.624 418 HA GLN 56 HA GLN 56 14.500 -1.796 -10.182 419 1HB GLN 56 1HB GLN 56 12.360 -0.851 -8.611 420 2HB GLN 56 2HB GLN 56 13.106 0.555 -9.344 421 1HG GLN 56 1HG GLN 56 12.566 -1.871 -11.001 422 2HG GLN 56 2HG GLN 56 11.260 -0.758 -10.645 423 1HE2 GLN 56 2HE2 GLN 56 12.163 -1.304 -13.252 424 2HE2 GLN 56 1HE2 GLN 56 12.869 0.160 -13.900 425 H GLN 57 H GLN 57 15.966 -0.576 -11.177 426 HA GLN 57 HA GLN 57 17.230 1.594 -9.622 427 1HB GLN 57 1HB GLN 57 18.476 -0.790 -9.841 428 2HB GLN 57 2HB GLN 57 19.044 -0.001 -11.299 429 1HG GLN 57 1HG GLN 57 19.210 1.959 -9.327 430 2HG GLN 57 2HG GLN 57 19.768 0.497 -8.539 431 1HE2 GLN 57 2HE2 GLN 57 21.237 2.955 -9.307 432 2HE2 GLN 57 1HE2 GLN 57 22.528 2.427 -10.363 433 H GLN 58 H GLN 58 17.016 3.403 -10.718 434 HA GLN 58 HA GLN 58 17.977 3.843 -13.294 435 1HB GLN 58 1HB GLN 58 15.509 2.470 -13.413 436 2HB GLN 58 2HB GLN 58 15.192 4.126 -13.890 437 1HG GLN 58 1HG GLN 58 17.365 3.819 -15.317 438 2HG GLN 58 2HG GLN 58 16.998 2.114 -15.148 439 1HE2 GLN 58 2HE2 GLN 58 15.961 1.347 -16.896 440 2HE2 GLN 58 1HE2 GLN 58 14.736 2.214 -17.795 441 H GLU 59 H GLU 59 14.855 4.798 -11.885 442 HA GLU 59 HA GLU 59 15.886 7.433 -11.199 443 1HB GLU 59 1HB GLU 59 14.005 8.561 -12.459 444 2HB GLU 59 2HB GLU 59 15.381 8.017 -13.399 445 1HG GLU 59 1HG GLU 59 14.135 6.020 -14.080 446 2HG GLU 59 2HG GLU 59 12.763 6.545 -13.124 447 H SER 60 H SER 60 15.054 5.297 -9.640 448 HA SER 60 HA SER 60 13.132 6.551 -7.986 449 1HB SER 60 1HB SER 60 11.388 4.695 -8.232 450 2HB SER 60 2HB SER 60 11.387 6.001 -9.401 451 HG SER 60 HG SER 60 11.221 3.936 -10.394 452 H GLN 61 H GLN 61 15.320 5.954 -7.011 453 HA GLN 61 HA GLN 61 15.732 3.192 -6.315 454 1HB GLN 61 1HB GLN 61 17.346 4.093 -4.695 455 2HB GLN 61 2HB GLN 61 17.562 4.774 -6.295 456 1HG GLN 61 1HG GLN 61 15.837 6.554 -5.190 457 2HG GLN 61 2HG GLN 61 16.772 6.071 -3.789 458 1HE2 GLN 61 2HE2 GLN 61 17.251 8.452 -3.894 459 2HE2 GLN 61 1HE2 GLN 61 18.639 8.927 -4.848 460 H GLN 62 H GLN 62 13.820 5.800 -4.949 461 HA GLN 62 HA GLN 62 13.477 4.632 -2.365 462 1HB GLN 62 1HB GLN 62 11.905 6.615 -3.967 463 2HB GLN 62 2HB GLN 62 11.413 6.092 -2.369 464 1HG GLN 62 1HG GLN 62 13.766 6.756 -1.642 465 2HG GLN 62 2HG GLN 62 13.848 7.617 -3.167 466 1HE2 GLN 62 2HE2 GLN 62 11.530 7.175 -0.470 467 2HE2 GLN 62 1HE2 GLN 62 11.126 8.871 -0.327 468 H LEU 63 H LEU 63 11.781 4.270 -5.480 469 HA LEU 63 HA LEU 63 9.437 2.995 -4.682 470 1HB LEU 63 1HB LEU 63 11.201 2.934 -7.045 471 2HB LEU 63 2HB LEU 63 10.109 1.574 -6.868 472 HG LEU 63 HG LEU 63 8.233 2.909 -7.036 473 1HD1 LEU 63 1HD1 LEU 63 8.840 4.697 -5.507 474 2HD1 LEU 63 2HD1 LEU 63 9.980 5.355 -6.732 475 3HD1 LEU 63 3HD1 LEU 63 8.212 5.358 -7.056 476 1HD2 LEU 63 1HD2 LEU 63 10.254 4.096 -8.941 477 2HD2 LEU 63 2HD2 LEU 63 9.294 2.598 -9.199 478 3HD2 LEU 63 3HD2 LEU 63 8.467 4.193 -9.110 479 H GLN 64 H GLN 64 12.749 1.747 -4.638 480 HA GLN 64 HA GLN 64 12.369 -0.932 -4.232 481 1HB GLN 64 1HB GLN 64 14.555 -0.105 -4.167 482 2HB GLN 64 2HB GLN 64 14.183 1.013 -2.871 483 1HG GLN 64 1HG GLN 64 13.952 -0.770 -1.299 484 2HG GLN 64 2HG GLN 64 14.054 -1.973 -2.569 485 1HE2 GLN 64 2HE2 GLN 64 15.667 -2.028 -0.258 486 2HE2 GLN 64 1HE2 GLN 64 17.314 -1.643 -0.705 487 H GLN 65 H GLN 65 11.512 1.613 -1.942 488 HA GLN 65 HA GLN 65 10.900 -0.089 0.230 489 1HB GLN 65 1HB GLN 65 10.465 2.748 -0.468 490 2HB GLN 65 2HB GLN 65 9.345 2.051 0.686 491 1HG GLN 65 1HG GLN 65 10.926 2.554 2.215 492 2HG GLN 65 2HG GLN 65 11.736 1.122 1.614 493 1HE2 GLN 65 2HE2 GLN 65 13.716 1.322 0.701 494 2HE2 GLN 65 1HE2 GLN 65 14.471 2.848 0.298 495 H CYS 66 H CYS 66 8.995 1.081 -2.552 496 HA CYS 66 HA CYS 66 6.542 -0.049 -1.637 497 1HB CYS 66 1HB CYS 66 6.298 1.593 -3.258 498 2HB CYS 66 2HB CYS 66 7.606 0.955 -4.233 499 H CYS 67 H CYS 67 9.056 -1.214 -4.006 500 HA CYS 67 HA CYS 67 7.764 -3.665 -4.530 501 1HB CYS 67 1HB CYS 67 9.832 -2.566 -5.606 502 2HB CYS 67 2HB CYS 67 10.726 -3.419 -4.364 503 H ASN 68 H ASN 68 10.340 -2.919 -2.144 504 HA ASN 68 HA ASN 68 10.356 -5.430 -0.863 505 1HB ASN 68 1HB ASN 68 12.015 -3.624 -0.498 506 2HB ASN 68 2HB ASN 68 10.800 -2.729 0.391 507 1HD2 ASN 68 2HD2 ASN 68 12.121 -2.744 2.261 508 2HD2 ASN 68 1HD2 ASN 68 12.314 -4.193 3.223 509 H GLN 69 H GLN 69 8.135 -2.729 -0.593 510 HA GLN 69 HA GLN 69 6.828 -3.637 1.792 511 1HB GLN 69 1HB GLN 69 6.323 -1.564 -0.255 512 2HB GLN 69 2HB GLN 69 4.978 -2.077 0.746 513 1HG GLN 69 1HG GLN 69 7.492 -1.565 2.171 514 2HG GLN 69 2HG GLN 69 6.741 -0.157 1.446 515 1HE2 GLN 69 2HE2 GLN 69 6.882 0.156 3.965 516 2HE2 GLN 69 1HE2 GLN 69 5.361 -0.174 4.765 517 H VAL 70 H VAL 70 6.153 -3.965 -1.662 518 HA VAL 70 HA VAL 70 3.711 -5.445 -1.260 519 HB VAL 70 HB VAL 70 5.325 -5.482 -3.776 520 1HG1 VAL 70 1HG1 VAL 70 3.256 -6.789 -3.635 521 2HG1 VAL 70 2HG1 VAL 70 2.368 -5.302 -3.157 522 3HG1 VAL 70 3HG1 VAL 70 3.091 -5.428 -4.797 523 1HG2 VAL 70 1HG2 VAL 70 3.547 -3.191 -2.871 524 2HG2 VAL 70 2HG2 VAL 70 5.334 -3.113 -3.051 525 3HG2 VAL 70 3HG2 VAL 70 4.294 -3.369 -4.496 526 H LYS 71 H LYS 71 7.083 -6.167 -1.178 527 HA LYS 71 HA LYS 71 6.852 -8.945 -1.832 528 1HB LYS 71 1HB LYS 71 8.916 -7.269 -1.698 529 2HB LYS 71 2HB LYS 71 9.033 -7.947 -0.087 530 1HG LYS 71 1HG LYS 71 9.620 -10.014 -0.853 531 2HG LYS 71 2HG LYS 71 8.605 -9.886 -2.276 532 1HD LYS 71 1HD LYS 71 10.268 -8.277 -3.232 533 2HD LYS 71 2HD LYS 71 11.308 -8.616 -1.864 534 1HE LYS 71 1HE LYS 71 10.910 -11.123 -2.605 535 2HE LYS 71 2HE LYS 71 10.566 -10.380 -4.154 536 1HZ LYS 71 1HZ LYS 71 12.701 -9.310 -4.061 537 2HZ LYS 71 2HZ LYS 71 13.027 -10.013 -2.597 538 3HZ LYS 71 3HZ LYS 71 12.876 -10.953 -3.952 539 H GLN 72 H GLN 72 5.970 -7.074 0.887 540 HA GLN 72 HA GLN 72 5.933 -9.445 2.612 541 1HB GLN 72 1HB GLN 72 5.460 -6.532 3.085 542 2HB GLN 72 2HB GLN 72 5.220 -7.756 4.315 543 1HG GLN 72 1HG GLN 72 7.795 -8.100 3.127 544 2HG GLN 72 2HG GLN 72 7.607 -6.436 3.644 545 1HE2 GLN 72 2HE2 GLN 72 6.610 -9.653 4.919 546 2HE2 GLN 72 1HE2 GLN 72 7.095 -9.311 6.565 547 H VAL 73 H VAL 73 3.981 -8.204 0.278 548 HA VAL 73 HA VAL 73 1.436 -8.420 1.523 549 HB VAL 73 HB VAL 73 2.167 -7.260 -0.636 550 1HG1 VAL 73 1HG1 VAL 73 3.057 -9.211 -1.822 551 2HG1 VAL 73 2HG1 VAL 73 1.435 -9.984 -1.742 552 3HG1 VAL 73 3HG1 VAL 73 1.669 -8.483 -2.705 553 1HG2 VAL 73 1HG2 VAL 73 -0.423 -8.805 -0.487 554 2HG2 VAL 73 2HG2 VAL 73 -0.094 -7.198 0.248 555 3HG2 VAL 73 3HG2 VAL 73 -0.107 -7.382 -1.540 556 H ARG 74 H ARG 74 -0.243 -9.995 0.822 557 HA ARG 74 HA ARG 74 0.728 -12.650 1.438 558 1HB ARG 74 1HB ARG 74 -2.058 -11.767 0.776 559 2HB ARG 74 2HB ARG 74 -1.590 -13.302 1.481 560 1HG ARG 74 1HG ARG 74 -1.020 -10.646 2.778 561 2HG ARG 74 2HG ARG 74 -2.449 -11.600 3.124 562 1HD ARG 74 1HD ARG 74 -0.788 -13.519 3.604 563 2HD ARG 74 2HD ARG 74 0.420 -12.254 3.695 564 HE ARG 74 HE ARG 74 -1.510 -11.292 5.327 565 1HH1 ARG 74 1HH2 ARG 74 0.027 -14.423 5.235 566 2HH1 ARG 74 2HH2 ARG 74 -0.219 -14.704 6.945 567 1HH2 ARG 74 1HH1 ARG 74 -1.814 -11.719 7.547 568 2HH2 ARG 74 2HH1 ARG 74 -1.226 -13.228 8.210 569 H ASP 75 H ASP 75 -1.396 -11.433 -1.102 570 HA ASP 75 HA ASP 75 -0.267 -12.110 -3.402 571 1HB ASP 75 1HB ASP 75 -0.742 -14.555 -1.900 572 2HB ASP 75 2HB ASP 75 -1.398 -14.563 -3.524 573 H GLU 76 H GLU 76 -3.115 -12.543 -1.386 574 HA GLU 76 HA GLU 76 -4.843 -12.057 -3.755 575 1HB GLU 76 1HB GLU 76 -6.648 -13.113 -2.446 576 2HB GLU 76 2HB GLU 76 -5.329 -14.210 -2.801 577 1HG GLU 76 1HG GLU 76 -5.117 -12.756 -0.258 578 2HG GLU 76 2HG GLU 76 -6.420 -13.923 -0.357 579 H CYS 77 H CYS 77 -3.501 -10.671 -1.087 580 HA CYS 77 HA CYS 77 -5.710 -8.756 -0.754 581 1HB CYS 77 1HB CYS 77 -3.393 -9.443 1.008 582 2HB CYS 77 2HB CYS 77 -4.487 -8.107 1.301 583 H GLN 78 H GLN 78 -2.908 -9.210 -2.520 584 HA GLN 78 HA GLN 78 -1.615 -6.700 -2.233 585 1HB GLN 78 1HB GLN 78 -0.390 -7.350 -4.117 586 2HB GLN 78 2HB GLN 78 -0.835 -8.868 -3.366 587 1HG GLN 78 1HG GLN 78 -2.621 -9.192 -4.970 588 2HG GLN 78 2HG GLN 78 -2.326 -7.612 -5.667 589 1HE2 GLN 78 2HE2 GLN 78 -0.033 -10.131 -4.639 590 2HE2 GLN 78 1HE2 GLN 78 0.758 -10.255 -6.194 591 H CYS 79 H CYS 79 -4.385 -7.799 -4.179 592 HA CYS 79 HA CYS 79 -4.434 -5.379 -5.747 593 1HB CYS 79 1HB CYS 79 -5.549 -7.862 -5.901 594 2HB CYS 79 2HB CYS 79 -6.898 -6.819 -5.499 595 H GLU 80 H GLU 80 -6.750 -6.794 -3.368 596 HA GLU 80 HA GLU 80 -8.292 -4.570 -2.872 597 1HB GLU 80 1HB GLU 80 -8.813 -6.631 -1.789 598 2HB GLU 80 2HB GLU 80 -7.266 -6.660 -0.965 599 1HG GLU 80 1HG GLU 80 -9.249 -5.939 0.447 600 2HG GLU 80 2HG GLU 80 -7.879 -4.846 0.448 601 H ALA 81 H ALA 81 -4.992 -5.168 -1.625 602 HA ALA 81 HA ALA 81 -4.752 -3.019 0.075 603 1HB ALA 81 1HB ALA 81 -3.023 -4.655 -0.267 604 2HB ALA 81 2HB ALA 81 -2.771 -4.047 -1.941 605 3HB ALA 81 3HB ALA 81 -2.385 -2.996 -0.534 606 H ILE 82 H ILE 82 -4.157 -2.837 -3.465 607 HA ILE 82 HA ILE 82 -3.819 -0.088 -3.615 608 HB ILE 82 HB ILE 82 -5.011 -2.064 -5.487 609 1HG1 ILE 82 1HG1 ILE 82 -2.650 -2.301 -4.884 610 2HG1 ILE 82 2HG1 ILE 82 -2.894 -1.969 -6.587 611 1HG2 ILE 82 1HG2 ILE 82 -5.972 0.079 -6.087 612 2HG2 ILE 82 2HG2 ILE 82 -4.331 0.812 -6.096 613 3HG2 ILE 82 3HG2 ILE 82 -4.759 -0.447 -7.306 614 1HD1 ILE 82 1HD1 ILE 82 -2.329 0.415 -6.226 615 2HD1 ILE 82 2HD1 ILE 82 -2.080 0.075 -4.479 616 3HD1 ILE 82 3HD1 ILE 82 -0.989 -0.664 -5.703 617 H LYS 83 H LYS 83 -6.901 -1.898 -3.512 618 HA LYS 83 HA LYS 83 -8.502 0.444 -3.830 619 1HB LYS 83 1HB LYS 83 -8.893 -2.386 -3.080 620 2HB LYS 83 2HB LYS 83 -10.145 -1.267 -2.577 621 1HG LYS 83 1HG LYS 83 -10.785 -2.042 -4.724 622 2HG LYS 83 2HG LYS 83 -10.169 -0.419 -4.957 623 1HD LYS 83 1HD LYS 83 -8.065 -1.278 -5.754 624 2HD LYS 83 2HD LYS 83 -8.557 -2.920 -5.388 625 1HE LYS 83 1HE LYS 83 -9.294 -3.045 -7.501 626 2HE LYS 83 2HE LYS 83 -10.585 -1.963 -7.017 627 1HZ LYS 83 1HZ LYS 83 -9.204 -0.116 -7.636 628 2HZ LYS 83 2HZ LYS 83 -7.984 -1.138 -8.092 629 3HZ LYS 83 3HZ LYS 83 -9.416 -1.135 -8.925 630 H TYR 84 H TYR 84 -6.548 -0.550 -1.288 631 HA TYR 84 HA TYR 84 -7.983 0.903 0.792 632 1HB TYR 84 1HB TYR 84 -7.166 -0.851 1.896 633 2HB TYR 84 2HB TYR 84 -6.072 -1.256 0.589 634 HD1 TYR 84 1HD TYR 84 -3.809 -1.239 0.978 635 HD2 TYR 84 2HD TYR 84 -6.381 1.315 3.285 636 HE1 TYR 84 1HE TYR 84 -1.873 -0.592 2.394 637 HE2 TYR 84 2HE TYR 84 -4.367 2.274 4.398 638 HH TYR 84 HH TYR 84 -2.214 2.054 4.802 639 H ILE 85 H ILE 85 -4.660 0.775 -0.498 640 HA ILE 85 HA ILE 85 -3.997 3.233 0.791 641 HB ILE 85 HB ILE 85 -2.451 1.340 0.410 642 1HG1 ILE 85 1HG1 ILE 85 -0.508 2.691 0.099 643 2HG1 ILE 85 2HG1 ILE 85 -1.466 3.958 -0.642 644 1HG2 ILE 85 1HG2 ILE 85 -2.993 0.741 -1.869 645 2HG2 ILE 85 2HG2 ILE 85 -2.403 2.341 -2.440 646 3HG2 ILE 85 3HG2 ILE 85 -1.251 1.160 -1.726 647 1HD1 ILE 85 1HD1 ILE 85 -2.710 4.284 1.468 648 2HD1 ILE 85 2HD1 ILE 85 -1.727 2.984 2.229 649 3HD1 ILE 85 3HD1 ILE 85 -0.941 4.514 1.703 650 H ALA 86 H ALA 86 -4.411 2.191 -2.577 651 HA ALA 86 HA ALA 86 -4.277 4.852 -3.590 652 1HB ALA 86 1HB ALA 86 -3.402 2.983 -4.852 653 2HB ALA 86 2HB ALA 86 -5.029 2.217 -4.865 654 3HB ALA 86 3HB ALA 86 -4.755 3.759 -5.749 655 H GLU 87 H GLU 87 -6.076 4.995 -1.661 656 HA GLU 87 HA GLU 87 -8.414 5.925 -2.968 657 1HB GLU 87 1HB GLU 87 -8.624 3.323 -2.800 658 2HB GLU 87 2HB GLU 87 -9.037 3.678 -1.135 659 1HG GLU 87 1HG GLU 87 -10.350 5.491 -2.974 660 2HG GLU 87 2HG GLU 87 -10.753 3.821 -3.317 661 H ASP 88 H ASP 88 -7.333 4.556 0.168 662 HA ASP 88 HA ASP 88 -8.821 6.333 1.798 663 1HB ASP 88 1HB ASP 88 -7.900 4.502 2.915 664 2HB ASP 88 2HB ASP 88 -6.328 4.728 2.176 665 H GLN 89 H GLN 89 -5.559 6.514 0.406 666 HA GLN 89 HA GLN 89 -4.837 8.976 1.547 667 1HB GLN 89 1HB GLN 89 -3.214 9.126 -0.240 668 2HB GLN 89 2HB GLN 89 -3.224 7.531 0.485 669 1HG GLN 89 1HG GLN 89 -3.371 6.752 -1.623 670 2HG GLN 89 2HG GLN 89 -5.041 7.281 -1.573 671 1HE2 GLN 89 2HE2 GLN 89 -1.983 9.242 -1.716 672 2HE2 GLN 89 1HE2 GLN 89 -2.509 10.148 -3.116 673 H ILE 90 H ILE 90 -6.803 8.271 -1.359 674 HA ILE 90 HA ILE 90 -6.835 10.865 -2.412 675 HB ILE 90 HB ILE 90 -8.968 8.775 -2.471 676 1HG1 ILE 90 1HG1 ILE 90 -6.836 9.258 -4.520 677 2HG1 ILE 90 2HG1 ILE 90 -6.717 8.041 -3.264 678 1HG2 ILE 90 1HG2 ILE 90 -9.852 10.930 -3.144 679 2HG2 ILE 90 2HG2 ILE 90 -8.498 11.124 -4.310 680 3HG2 ILE 90 3HG2 ILE 90 -9.716 9.826 -4.556 681 1HD1 ILE 90 1HD1 ILE 90 -8.745 6.939 -4.108 682 2HD1 ILE 90 2HD1 ILE 90 -8.866 8.189 -5.397 683 3HD1 ILE 90 3HD1 ILE 90 -7.474 7.051 -5.375 684 H GLN 91 H GLN 91 -8.824 9.353 0.119 685 HA GLN 91 HA GLN 91 -10.285 11.825 0.529 686 1HB GLN 91 1HB GLN 91 -10.213 9.278 2.107 687 2HB GLN 91 2HB GLN 91 -11.326 10.604 2.377 688 1HG GLN 91 1HG GLN 91 -11.606 10.124 -0.321 689 2HG GLN 91 2HG GLN 91 -11.383 8.513 0.332 690 1HE2 GLN 91 2HE2 GLN 91 -12.988 7.589 1.639 691 2HE2 GLN 91 1HE2 GLN 91 -14.526 8.371 1.927 692 H GLN 92 H GLN 92 -7.407 10.355 1.813 693 HA GLN 92 HA GLN 92 -7.378 11.903 4.237 694 1HB GLN 92 1HB GLN 92 -6.193 9.623 3.616 695 2HB GLN 92 2HB GLN 92 -4.907 10.696 3.103 696 1HG GLN 92 1HG GLN 92 -4.336 11.176 5.215 697 2HG GLN 92 2HG GLN 92 -6.003 11.462 5.674 698 1HE2 GLN 92 2HE2 GLN 92 -3.372 9.225 5.636 699 2HE2 GLN 92 1HE2 GLN 92 -4.139 7.985 6.601 700 H GLY 93 H GLY 93 -5.329 11.938 1.333 701 1HA GLY 93 1HA GLY 93 -4.203 14.496 1.786 702 2HA GLY 93 2HA GLY 93 -4.165 13.568 0.300 703 H GLN 94 H GLN 94 -4.276 15.990 -0.310 704 HA GLN 94 HA GLN 94 -7.012 17.005 -0.411 705 1HB GLN 94 1HB GLN 94 -4.358 18.086 -0.692 706 2HB GLN 94 2HB GLN 94 -5.395 18.615 -2.001 707 1HG GLN 94 1HG GLN 94 -6.955 19.573 -0.527 708 2HG GLN 94 2HG GLN 94 -6.313 18.703 0.852 709 1HE2 GLN 94 2HE2 GLN 94 -6.712 21.376 1.097 710 2HE2 GLN 94 1HE2 GLN 94 -5.169 22.199 1.153 711 H LEU 95 H LEU 95 -6.901 14.526 -1.642 712 HA LEU 95 HA LEU 95 -6.734 15.086 -4.501 713 1HB LEU 95 1HB LEU 95 -7.524 12.549 -3.168 714 2HB LEU 95 2HB LEU 95 -6.995 12.774 -4.823 715 HG LEU 95 HG LEU 95 -5.181 11.801 -3.791 716 1HD1 LEU 95 1HD1 LEU 95 -4.485 13.793 -5.048 717 2HD1 LEU 95 2HD1 LEU 95 -4.678 14.786 -3.562 718 3HD1 LEU 95 3HD1 LEU 95 -3.413 13.510 -3.632 719 1HD2 LEU 95 1HD2 LEU 95 -5.521 13.709 -1.479 720 2HD2 LEU 95 2HD2 LEU 95 -5.931 11.958 -1.480 721 3HD2 LEU 95 3HD2 LEU 95 -4.220 12.480 -1.656 722 H HIS 96 H HIS 96 -8.892 15.940 -2.298 723 HA HIS 96 HA HIS 96 -11.321 15.130 -3.652 724 1HB HIS 96 1HB HIS 96 -10.567 16.656 -1.243 725 2HB HIS 96 2HB HIS 96 -12.148 16.959 -1.937 726 HD1 HIS 96 1HD HIS 96 -13.671 15.768 -0.254 727 HD2 HIS 96 2HD HIS 96 -10.432 13.439 -1.645 728 HE1 HIS 96 1HE HIS 96 -14.031 13.395 0.681 729 HE2 HIS 96 2HE HIS 96 -12.103 11.969 -0.250 730 H GLY 97 H GLY 97 -12.963 17.131 -3.891 731 1HA GLY 97 1HA GLY 97 -13.463 19.136 -4.949 732 2HA GLY 97 2HA GLY 97 -11.753 19.462 -5.142 733 H GLU 98 H GLU 98 -10.586 18.004 -6.740 734 HA GLU 98 HA GLU 98 -11.964 16.580 -8.748 735 1HB GLU 98 1HB GLU 98 -12.865 18.864 -9.252 736 2HB GLU 98 2HB GLU 98 -11.231 19.347 -9.658 737 1HG GLU 98 1HG GLU 98 -11.129 17.850 -11.482 738 2HG GLU 98 2HG GLU 98 -12.542 16.969 -10.939 739 H GLU 99 H GLU 99 -9.855 15.790 -7.488 740 HA GLU 99 HA GLU 99 -7.737 15.797 -9.465 741 1HB GLU 99 1HB GLU 99 -6.004 16.429 -7.703 742 2HB GLU 99 2HB GLU 99 -6.913 17.721 -8.459 743 1HG GLU 99 1HG GLU 99 -8.451 17.651 -6.480 744 2HG GLU 99 2HG GLU 99 -7.300 16.570 -5.721 745 H SER 100 H SER 100 -9.665 14.006 -8.103 746 HA SER 100 HA SER 100 -7.957 12.212 -6.541 747 1HB SER 100 1HB SER 100 -10.074 12.163 -5.661 748 2HB SER 100 2HB SER 100 -10.841 12.379 -7.222 749 HG SER 100 HG SER 100 -11.096 10.254 -6.406 750 H GLU 101 H GLU 101 -9.461 12.406 -9.750 751 HA GLU 101 HA GLU 101 -8.756 9.714 -10.502 752 1HB GLU 101 1HB GLU 101 -10.499 11.330 -11.554 753 2HB GLU 101 2HB GLU 101 -9.130 11.964 -12.446 754 1HG GLU 101 1HG GLU 101 -8.709 9.868 -13.484 755 2HG GLU 101 2HG GLU 101 -9.761 9.021 -12.368 756 H ARG 102 H ARG 102 -7.211 12.907 -10.813 757 HA ARG 102 HA ARG 102 -5.043 12.111 -12.452 758 1HB ARG 102 1HB ARG 102 -3.940 14.104 -11.682 759 2HB ARG 102 2HB ARG 102 -5.641 14.457 -11.914 760 1HG ARG 102 1HG ARG 102 -5.736 15.206 -9.824 761 2HG ARG 102 2HG ARG 102 -5.377 13.587 -9.259 762 1HD ARG 102 1HD ARG 102 -2.995 14.079 -9.358 763 2HD ARG 102 2HD ARG 102 -3.353 15.698 -9.924 764 HE ARG 102 HE ARG 102 -4.516 14.935 -7.355 765 1HH1 ARG 102 1HH2 ARG 102 -1.844 16.498 -8.958 766 2HH1 ARG 102 2HH2 ARG 102 -1.398 17.423 -7.541 767 1HH2 ARG 102 1HH1 ARG 102 -3.927 16.159 -5.561 768 2HH2 ARG 102 2HH1 ARG 102 -2.553 17.235 -5.664 769 H VAL 103 H VAL 103 -5.710 11.502 -9.094 770 HA VAL 103 HA VAL 103 -2.985 10.792 -8.426 771 HB VAL 103 HB VAL 103 -5.616 10.626 -7.051 772 1HG1 VAL 103 1HG1 VAL 103 -4.374 8.645 -6.383 773 2HG1 VAL 103 2HG1 VAL 103 -2.954 9.676 -5.995 774 3HG1 VAL 103 3HG1 VAL 103 -4.470 9.839 -5.043 775 1HG2 VAL 103 1HG2 VAL 103 -3.070 12.162 -6.509 776 2HG2 VAL 103 2HG2 VAL 103 -4.585 12.823 -7.213 777 3HG2 VAL 103 3HG2 VAL 103 -4.568 12.231 -5.516 778 H ALA 104 H ALA 104 -5.831 9.205 -9.681 779 HA ALA 104 HA ALA 104 -5.155 6.530 -9.095 780 1HB ALA 104 1HB ALA 104 -7.363 7.238 -9.909 781 2HB ALA 104 2HB ALA 104 -6.624 7.710 -11.479 782 3HB ALA 104 3HB ALA 104 -6.659 5.981 -10.984 783 H GLN 105 H GLN 105 -4.311 8.628 -11.857 784 HA GLN 105 HA GLN 105 -2.740 6.636 -13.178 785 1HB GLN 105 1HB GLN 105 -1.862 8.526 -14.492 786 2HB GLN 105 2HB GLN 105 -3.612 8.497 -14.419 787 1HG GLN 105 1HG GLN 105 -3.686 10.286 -12.903 788 2HG GLN 105 2HG GLN 105 -1.980 10.145 -12.531 789 1HE2 GLN 105 2HE2 GLN 105 -0.592 11.485 -13.543 790 2HE2 GLN 105 1HE2 GLN 105 -1.003 12.436 -14.953 791 H ARG 106 H ARG 106 -2.061 9.027 -10.700 792 HA ARG 106 HA ARG 106 0.743 9.053 -10.833 793 1HB ARG 106 1HB ARG 106 -1.269 10.066 -9.134 794 2HB ARG 106 2HB ARG 106 -0.077 9.250 -8.143 795 1HG ARG 106 1HG ARG 106 0.434 11.620 -8.412 796 2HG ARG 106 2HG ARG 106 1.682 10.607 -9.108 797 1HD ARG 106 1HD ARG 106 1.427 11.812 -10.975 798 2HD ARG 106 2HD ARG 106 -0.083 10.950 -11.191 799 HE ARG 106 HE ARG 106 -0.865 12.980 -9.601 800 1HH1 ARG 106 1HH2 ARG 106 1.015 12.949 -12.557 801 2HH1 ARG 106 2HH2 ARG 106 0.511 14.565 -12.999 802 1HH2 ARG 106 1HH1 ARG 106 -1.450 15.037 -10.196 803 2HH2 ARG 106 2HH1 ARG 106 -0.853 15.722 -11.691 804 H ALA 107 H ALA 107 -1.426 7.105 -8.720 805 HA ALA 107 HA ALA 107 0.604 5.635 -7.478 806 1HB ALA 107 1HB ALA 107 -1.733 5.679 -6.787 807 2HB ALA 107 2HB ALA 107 -2.183 4.801 -8.290 808 3HB ALA 107 3HB ALA 107 -1.168 3.992 -7.047 809 H GLY 108 H GLY 108 -1.075 5.085 -10.543 810 1HA GLY 108 1HA GLY 108 -0.052 2.723 -11.436 811 2HA GLY 108 2HA GLY 108 -0.324 4.123 -12.453 812 H GLU 109 H GLU 109 1.737 5.759 -11.252 813 HA GLU 109 HA GLU 109 4.024 5.121 -12.687 814 1HB GLU 109 1HB GLU 109 3.701 6.761 -10.195 815 2HB GLU 109 2HB GLU 109 5.197 6.665 -11.101 816 1HG GLU 109 1HG GLU 109 4.144 7.594 -13.055 817 2HG GLU 109 2HG GLU 109 2.567 7.518 -12.296 818 H ILE 110 H ILE 110 3.426 4.551 -9.197 819 HA ILE 110 HA ILE 110 5.887 3.072 -8.944 820 HB ILE 110 HB ILE 110 3.525 3.345 -7.113 821 1HG1 ILE 110 1HG1 ILE 110 4.328 5.449 -6.950 822 2HG1 ILE 110 2HG1 ILE 110 5.498 4.690 -5.889 823 1HG2 ILE 110 1HG2 ILE 110 4.761 1.298 -6.656 824 2HG2 ILE 110 2HG2 ILE 110 6.295 2.234 -6.609 825 3HG2 ILE 110 3HG2 ILE 110 5.037 2.507 -5.354 826 1HD1 ILE 110 1HD1 ILE 110 7.090 4.479 -7.758 827 2HD1 ILE 110 2HD1 ILE 110 5.889 5.258 -8.847 828 3HD1 ILE 110 3HD1 ILE 110 6.608 6.191 -7.488 829 H VAL 111 H VAL 111 2.574 2.345 -9.639 830 HA VAL 111 HA VAL 111 2.598 -0.405 -9.227 831 HB VAL 111 HB VAL 111 1.151 1.195 -11.258 832 1HG1 VAL 111 1HG1 VAL 111 1.142 -1.108 -11.977 833 2HG1 VAL 111 2HG1 VAL 111 0.582 -1.619 -10.346 834 3HG1 VAL 111 3HG1 VAL 111 -0.483 -0.613 -11.389 835 1HG2 VAL 111 1HG2 VAL 111 0.355 0.264 -8.498 836 2HG2 VAL 111 2HG2 VAL 111 0.712 1.949 -9.009 837 3HG2 VAL 111 3HG2 VAL 111 -0.727 1.098 -9.668 838 H SER 112 H SER 112 3.370 1.403 -12.187 839 HA SER 112 HA SER 112 4.189 -0.773 -13.734 840 1HB SER 112 1HB SER 112 4.968 0.746 -15.233 841 2HB SER 112 2HB SER 112 3.955 1.798 -14.264 842 HG SER 112 HG SER 112 6.048 2.667 -14.603 843 H SER 113 H SER 113 5.804 0.743 -11.058 844 HA SER 113 HA SER 113 8.401 -0.357 -11.638 845 1HB SER 113 1HB SER 113 7.361 1.567 -9.916 846 2HB SER 113 2HB SER 113 7.974 0.294 -8.879 847 HG SER 113 HG SER 113 9.616 1.788 -9.496 848 H CYS 114 H CYS 114 6.552 -0.865 -8.645 849 HA CYS 114 HA CYS 114 6.579 -3.759 -9.051 850 1HB CYS 114 1HB CYS 114 8.759 -3.022 -8.005 851 2HB CYS 114 2HB CYS 114 7.812 -2.589 -6.596 852 H GLY 115 H GLY 115 4.507 -1.817 -9.073 853 1HA GLY 115 1HA GLY 115 3.041 -2.589 -6.601 854 2HA GLY 115 2HA GLY 115 2.911 -0.990 -7.306 855 H VAL 116 H VAL 116 3.250 -3.696 -9.446 856 HA VAL 116 HA VAL 116 0.757 -3.205 -10.716 857 HB VAL 116 HB VAL 116 2.519 -3.876 -12.060 858 1HG1 VAL 116 1HG1 VAL 116 3.926 -4.989 -10.410 859 2HG1 VAL 116 2HG1 VAL 116 2.779 -6.373 -10.361 860 3HG1 VAL 116 3HG1 VAL 116 3.709 -6.029 -11.860 861 1HG2 VAL 116 1HG2 VAL 116 0.566 -6.181 -11.818 862 2HG2 VAL 116 2HG2 VAL 116 0.342 -4.684 -12.788 863 3HG2 VAL 116 3HG2 VAL 116 1.628 -5.860 -13.233 864 H ARG 117 H ARG 117 -1.073 -3.534 -9.544 865 HA ARG 117 HA ARG 117 -1.571 -6.334 -8.751 866 1HB ARG 117 1HB ARG 117 -1.733 -3.976 -6.925 867 2HB ARG 117 2HB ARG 117 -2.590 -5.474 -6.620 868 1HG ARG 117 1HG ARG 117 -0.707 -5.909 -5.480 869 2HG ARG 117 2HG ARG 117 -0.225 -6.497 -7.059 870 1HD ARG 117 1HD ARG 117 0.449 -3.825 -7.059 871 2HD ARG 117 2HD ARG 117 0.880 -4.399 -5.461 872 HE ARG 117 HE ARG 117 2.491 -4.648 -7.613 873 1HH1 ARG 117 1HH2 ARG 117 1.082 -6.868 -5.329 874 2HH1 ARG 117 2HH2 ARG 117 2.269 -8.113 -5.651 875 1HH2 ARG 117 1HH1 ARG 117 3.909 -6.293 -8.100 876 2HH2 ARG 117 2HH1 ARG 117 3.847 -7.791 -7.198 877 H CYS 118 H CYS 118 -3.553 -3.754 -7.541 878 HA CYS 118 HA CYS 118 -5.656 -4.459 -9.457 879 1HB CYS 118 1HB CYS 118 -5.524 -3.598 -6.707 880 2HB CYS 118 2HB CYS 118 -6.657 -2.636 -7.635 881 H MET 119 H MET 119 -3.159 -2.354 -9.330 882 HA MET 119 HA MET 119 -4.617 -0.100 -10.509 883 1HB MET 119 1HB MET 119 -2.552 -0.257 -8.770 884 2HB MET 119 2HB MET 119 -1.720 0.020 -10.288 885 1HG MET 119 1HG MET 119 -2.351 2.164 -10.321 886 2HG MET 119 2HG MET 119 -4.027 1.737 -10.040 887 1HE MET 119 1HE MET 119 -4.145 4.066 -8.738 888 2HE MET 119 2HE MET 119 -5.209 2.717 -8.208 889 3HE MET 119 3HE MET 119 -4.378 3.740 -6.985 890 H ARG 120 H ARG 120 -3.556 -2.931 -11.638 891 HA ARG 120 HA ARG 120 -3.346 -1.955 -14.351 892 1HB ARG 120 1HB ARG 120 -1.051 -1.680 -13.824 893 2HB ARG 120 2HB ARG 120 -1.001 -3.185 -12.929 894 1HG ARG 120 1HG ARG 120 -0.582 -4.384 -14.784 895 2HG ARG 120 2HG ARG 120 -1.858 -3.581 -15.678 896 1HD ARG 120 1HD ARG 120 -0.228 -2.657 -16.890 897 2HD ARG 120 2HD ARG 120 0.083 -1.646 -15.492 898 HE ARG 120 HE ARG 120 1.490 -3.978 -15.013 899 1HH1 ARG 120 1HH2 ARG 120 1.502 -1.522 -17.505 900 2HH1 ARG 120 2HH2 ARG 120 3.193 -1.772 -17.877 901 1HH2 ARG 120 1HH1 ARG 120 3.647 -4.266 -15.534 902 2HH2 ARG 120 2HH1 ARG 120 4.379 -3.289 -16.787 903 H GLN 121 H GLN 121 -2.608 -4.768 -12.305 904 HA GLN 121 HA GLN 121 -4.014 -6.475 -14.232 905 1HB GLN 121 1HB GLN 121 -1.881 -6.862 -12.249 906 2HB GLN 121 2HB GLN 121 -3.005 -8.196 -12.419 907 1HG GLN 121 1HG GLN 121 -2.634 -7.988 -14.936 908 2HG GLN 121 2HG GLN 121 -1.279 -6.948 -14.545 909 1HE2 GLN 121 2HE2 GLN 121 0.130 -7.950 -12.648 910 2HE2 GLN 121 1HE2 GLN 121 0.578 -9.620 -12.909 911 H THR 122 H THR 122 -4.838 -8.516 -12.731 912 HA THR 122 HA THR 122 -7.157 -7.365 -11.342 913 HB THR 122 HB THR 122 -6.880 -10.240 -12.133 914 HG1 THR 122 1HG THR 122 -7.740 -9.543 -14.162 915 1HG2 THR 122 1HG2 THR 122 -8.891 -9.503 -10.821 916 2HG2 THR 122 2HG2 THR 122 -9.226 -8.287 -12.103 917 3HG2 THR 122 3HG2 THR 122 -9.315 -10.043 -12.483 918 H ARG 123 H ARG 123 -7.865 -9.543 -9.769 919 HA ARG 123 HA ARG 123 -5.990 -9.247 -7.554 920 1HB ARG 123 1HB ARG 123 -8.767 -10.118 -7.957 921 2HB ARG 123 2HB ARG 123 -7.895 -11.024 -6.736 922 1HG ARG 123 1HG ARG 123 -7.392 -9.056 -5.520 923 2HG ARG 123 2HG ARG 123 -7.969 -8.033 -6.821 924 1HD ARG 123 1HD ARG 123 -10.036 -9.829 -6.002 925 2HD ARG 123 2HD ARG 123 -9.409 -8.963 -4.613 926 HE ARG 123 HE ARG 123 -9.765 -7.032 -6.582 927 1HH1 ARG 123 1HH2 ARG 123 -11.830 -9.322 -4.922 928 2HH1 ARG 123 2HH2 ARG 123 -13.250 -8.315 -5.093 929 1HH2 ARG 123 1HH1 ARG 123 -11.597 -5.782 -6.781 930 2HH2 ARG 123 2HH1 ARG 123 -13.120 -6.342 -6.128 931 H THR 124 H THR 124 -4.166 -10.324 -8.371 932 HA THR 124 HA THR 124 -3.822 -12.746 -9.495 933 HB THR 124 HB THR 124 -1.666 -12.848 -8.292 934 HG1 THR 124 1HG THR 124 -1.255 -11.104 -6.878 935 1HG2 THR 124 1HG2 THR 124 -1.953 -11.210 -10.185 936 2HG2 THR 124 2HG2 THR 124 -2.509 -10.003 -8.974 937 3HG2 THR 124 3HG2 THR 124 -0.826 -10.630 -8.911 938 H ASN 125 H ASN 125 -3.150 -12.849 -6.048 939 HA ASN 125 HA ASN 125 -3.972 -14.080 -4.333 940 1HB ASN 125 1HB ASN 125 -5.936 -15.442 -6.117 941 2HB ASN 125 2HB ASN 125 -6.047 -15.126 -4.398 942 1HD2 ASN 125 2HD2 ASN 125 -8.184 -14.708 -5.962 943 2HD2 ASN 125 1HD2 ASN 125 -8.502 -12.991 -6.065 Start of MODEL 3 1 1H ALA 1 1H ALA 1 10.736 -14.836 3.365 2 2H ALA 1 2H ALA 1 9.661 -16.088 3.223 3 3H ALA 1 3H ALA 1 11.280 -16.356 2.998 4 HA ALA 1 HA ALA 1 11.281 -14.963 1.078 5 1HB ALA 1 1HB ALA 1 10.969 -17.381 0.805 6 2HB ALA 1 2HB ALA 1 9.199 -17.171 1.035 7 3HB ALA 1 3HB ALA 1 10.008 -16.468 -0.409 8 H GLU 2 H GLU 2 8.000 -15.583 2.334 9 HA GLU 2 HA GLU 2 7.254 -12.856 1.524 10 1HB GLU 2 1HB GLU 2 5.796 -15.313 0.583 11 2HB GLU 2 2HB GLU 2 5.123 -13.697 0.523 12 1HG GLU 2 1HG GLU 2 6.812 -12.962 -0.997 13 2HG GLU 2 2HG GLU 2 7.736 -14.434 -0.774 14 H PHE 3 H PHE 3 5.223 -15.610 2.416 15 HA PHE 3 HA PHE 3 5.022 -14.975 5.190 16 1HB PHE 3 1HB PHE 3 3.862 -13.055 3.848 17 2HB PHE 3 2HB PHE 3 2.573 -14.228 3.672 18 HD1 PHE 3 1HD PHE 3 0.845 -14.124 5.193 19 HD2 PHE 3 2HD PHE 3 4.796 -12.907 6.396 20 HE1 PHE 3 1HE PHE 3 -0.038 -13.499 7.446 21 HE2 PHE 3 2HE PHE 3 3.918 -12.293 8.654 22 HZ PHE 3 HZ PHE 3 1.506 -12.593 9.171 23 H MET 4 H MET 4 2.866 -15.946 6.084 24 HA MET 4 HA MET 4 2.540 -18.570 4.783 25 1HB MET 4 1HB MET 4 3.200 -18.061 7.289 26 2HB MET 4 2HB MET 4 1.461 -17.966 7.474 27 1HG MET 4 1HG MET 4 1.210 -20.195 7.250 28 2HG MET 4 2HG MET 4 2.329 -20.271 5.904 29 1HE MET 4 1HE MET 4 2.599 -22.733 7.383 30 2HE MET 4 2HE MET 4 3.875 -22.168 6.249 31 3HE MET 4 3HE MET 4 4.329 -22.802 7.868 32 H GLU 5 H GLU 5 0.249 -19.500 5.672 33 HA GLU 5 HA GLU 5 -1.761 -17.650 4.540 34 1HB GLU 5 1HB GLU 5 -1.304 -20.534 4.302 35 2HB GLU 5 2HB GLU 5 -2.976 -20.066 4.535 36 1HG GLU 5 1HG GLU 5 -1.888 -18.264 2.650 37 2HG GLU 5 2HG GLU 5 -1.374 -19.867 2.164 38 H SER 6 H SER 6 -3.936 -17.767 5.401 39 HA SER 6 HA SER 6 -4.708 -18.970 7.770 40 1HB SER 6 1HB SER 6 -4.478 -16.990 9.352 41 2HB SER 6 2HB SER 6 -3.027 -17.926 9.054 42 HG SER 6 HG SER 6 -2.647 -15.660 8.934 43 H LYS 7 H LYS 7 -6.700 -18.146 8.609 44 HA LYS 7 HA LYS 7 -7.891 -15.755 7.617 45 1HB LYS 7 1HB LYS 7 -7.847 -17.451 5.619 46 2HB LYS 7 2HB LYS 7 -9.226 -18.149 6.445 47 1HG LYS 7 1HG LYS 7 -9.642 -15.363 6.441 48 2HG LYS 7 2HG LYS 7 -9.111 -15.778 4.824 49 1HD LYS 7 1HD LYS 7 -10.851 -17.493 4.682 50 2HD LYS 7 2HD LYS 7 -11.371 -17.113 6.311 51 1HE LYS 7 1HE LYS 7 -12.123 -14.950 5.665 52 2HE LYS 7 2HE LYS 7 -11.326 -15.064 4.108 53 1HZ LYS 7 1HZ LYS 7 -12.816 -16.832 3.528 54 2HZ LYS 7 2HZ LYS 7 -13.571 -16.724 4.999 55 3HZ LYS 7 3HZ LYS 7 -13.667 -15.468 3.925 56 H GLY 8 H GLY 8 -10.221 -15.620 8.246 57 1HA GLY 8 1HA GLY 8 -11.979 -16.177 9.681 58 2HA GLY 8 2HA GLY 8 -11.047 -17.522 10.308 59 H GLU 9 H GLU 9 -12.041 -14.289 10.750 60 HA GLU 9 HA GLU 9 -11.027 -14.275 13.444 61 1HB GLU 9 1HB GLU 9 -9.110 -13.513 11.773 62 2HB GLU 9 2HB GLU 9 -9.961 -11.987 11.902 63 1HG GLU 9 1HG GLU 9 -8.438 -11.807 13.624 64 2HG GLU 9 2HG GLU 9 -9.833 -12.456 14.464 65 H ARG 10 H ARG 10 -11.918 -12.003 10.826 66 HA ARG 10 HA ARG 10 -14.412 -11.346 12.146 67 1HB ARG 10 1HB ARG 10 -12.314 -9.917 13.067 68 2HB ARG 10 2HB ARG 10 -12.789 -8.929 11.700 69 1HG ARG 10 1HG ARG 10 -14.397 -8.054 13.004 70 2HG ARG 10 2HG ARG 10 -15.194 -9.612 12.944 71 1HD ARG 10 1HD ARG 10 -13.390 -10.107 14.880 72 2HD ARG 10 2HD ARG 10 -13.610 -8.386 15.120 73 HE ARG 10 HE ARG 10 -16.163 -9.598 14.892 74 1HH1 ARG 10 1HH2 ARG 10 -13.477 -9.419 17.132 75 2HH1 ARG 10 2HH2 ARG 10 -14.491 -9.725 18.525 76 1HH2 ARG 10 1HH1 ARG 10 -17.424 -9.997 16.690 77 2HH2 ARG 10 2HH1 ARG 10 -16.692 -10.047 18.279 78 H GLU 11 H GLU 11 -15.719 -9.855 10.908 79 HA GLU 11 HA GLU 11 -15.230 -10.234 8.055 80 1HB GLU 11 1HB GLU 11 -17.519 -10.135 9.665 81 2HB GLU 11 2HB GLU 11 -17.598 -8.723 8.629 82 1HG GLU 11 1HG GLU 11 -17.236 -10.155 6.657 83 2HG GLU 11 2HG GLU 11 -17.173 -11.565 7.697 84 H GLY 12 H GLY 12 -16.637 -7.974 7.091 85 1HA GLY 12 1HA GLY 12 -16.268 -5.475 7.648 86 2HA GLY 12 2HA GLY 12 -14.579 -5.894 7.450 87 H SER 13 H SER 13 -14.750 -4.211 5.774 88 HA SER 13 HA SER 13 -16.083 -5.054 3.305 89 1HB SER 13 1HB SER 13 -16.068 -2.673 4.110 90 2HB SER 13 2HB SER 13 -14.368 -2.629 3.688 91 HG SER 13 HG SER 13 -15.713 -1.871 1.986 92 H SER 14 H SER 14 -13.907 -6.673 4.376 93 HA SER 14 HA SER 14 -12.419 -7.005 1.952 94 1HB SER 14 1HB SER 14 -10.217 -6.759 3.436 95 2HB SER 14 2HB SER 14 -10.856 -5.466 2.440 96 HG SER 14 HG SER 14 -10.354 -4.774 4.559 97 H SER 15 H SER 15 -10.355 -8.528 2.685 98 HA SER 15 HA SER 15 -11.465 -10.978 3.407 99 1HB SER 15 1HB SER 15 -8.976 -10.088 2.597 100 2HB SER 15 2HB SER 15 -8.687 -10.792 4.176 101 HG SER 15 HG SER 15 -8.590 -12.332 2.498 102 H GLN 16 H GLN 16 -9.902 -12.131 5.365 103 HA GLN 16 HA GLN 16 -11.303 -11.843 7.673 104 1HB GLN 16 1HB GLN 16 -9.624 -13.552 7.383 105 2HB GLN 16 2HB GLN 16 -8.351 -12.347 7.409 106 1HG GLN 16 1HG GLN 16 -9.697 -11.831 9.736 107 2HG GLN 16 2HG GLN 16 -9.806 -13.575 9.620 108 1HE2 GLN 16 2HE2 GLN 16 -8.133 -11.283 11.089 109 2HE2 GLN 16 1HE2 GLN 16 -6.515 -11.950 11.094 110 H GLN 17 H GLN 17 -8.221 -10.113 7.064 111 HA GLN 17 HA GLN 17 -9.150 -7.627 7.996 112 1HB GLN 17 1HB GLN 17 -8.832 -9.345 10.118 113 2HB GLN 17 2HB GLN 17 -7.320 -8.462 10.097 114 1HG GLN 17 1HG GLN 17 -8.630 -6.339 9.992 115 2HG GLN 17 2HG GLN 17 -10.094 -7.283 10.183 116 1HE2 GLN 17 2HE2 GLN 17 -10.854 -7.457 12.178 117 2HE2 GLN 17 1HE2 GLN 17 -9.909 -7.339 13.645 118 H CYS 18 H CYS 18 -7.792 -8.321 5.793 119 HA CYS 18 HA CYS 18 -4.934 -8.000 6.186 120 1HB CYS 18 1HB CYS 18 -6.673 -8.717 4.044 121 2HB CYS 18 2HB CYS 18 -5.652 -7.387 3.536 122 H ARG 19 H ARG 19 -7.712 -5.940 5.262 123 HA ARG 19 HA ARG 19 -6.532 -3.653 4.398 124 1HB ARG 19 1HB ARG 19 -9.005 -4.298 5.349 125 2HB ARG 19 2HB ARG 19 -8.443 -3.181 6.575 126 1HG ARG 19 1HG ARG 19 -8.263 -1.415 5.074 127 2HG ARG 19 2HG ARG 19 -8.130 -2.478 3.687 128 1HD ARG 19 1HD ARG 19 -10.526 -3.139 4.087 129 2HD ARG 19 2HD ARG 19 -10.610 -1.862 5.283 130 HE ARG 19 HE ARG 19 -10.760 -0.302 3.592 131 1HH1 ARG 19 1HH2 ARG 19 -9.563 -3.308 2.235 132 2HH1 ARG 19 2HH2 ARG 19 -9.632 -2.708 0.594 133 1HH2 ARG 19 1HH1 ARG 19 -10.821 0.429 1.487 134 2HH2 ARG 19 2HH1 ARG 19 -10.334 -0.622 0.177 135 H GLN 20 H GLN 20 -6.378 -4.937 7.697 136 HA GLN 20 HA GLN 20 -5.152 -2.630 8.817 137 1HB GLN 20 1HB GLN 20 -6.400 -4.618 9.928 138 2HB GLN 20 2HB GLN 20 -4.837 -5.407 9.873 139 1HG GLN 20 1HG GLN 20 -4.155 -2.951 10.845 140 2HG GLN 20 2HG GLN 20 -5.746 -3.163 11.547 141 1HE2 GLN 20 2HE2 GLN 20 -3.010 -5.344 10.814 142 2HE2 GLN 20 1HE2 GLN 20 -2.871 -6.011 12.425 143 H GLU 21 H GLU 21 -3.714 -5.867 8.327 144 HA GLU 21 HA GLU 21 -1.058 -4.996 8.586 145 1HB GLU 21 1HB GLU 21 -2.014 -7.325 6.944 146 2HB GLU 21 2HB GLU 21 -0.422 -7.114 7.643 147 1HG GLU 21 1HG GLU 21 -2.515 -6.891 9.642 148 2HG GLU 21 2HG GLU 21 -2.568 -8.434 8.816 149 H VAL 22 H VAL 22 -3.195 -4.882 5.859 150 HA VAL 22 HA VAL 22 -1.359 -4.539 3.771 151 HB VAL 22 HB VAL 22 -4.154 -3.506 4.096 152 1HG1 VAL 22 1HG1 VAL 22 -2.982 -2.263 2.359 153 2HG1 VAL 22 2HG1 VAL 22 -2.486 -3.814 1.596 154 3HG1 VAL 22 3HG1 VAL 22 -4.223 -3.355 1.652 155 1HG2 VAL 22 1HG2 VAL 22 -3.118 -6.000 2.716 156 2HG2 VAL 22 2HG2 VAL 22 -4.047 -5.948 4.255 157 3HG2 VAL 22 3HG2 VAL 22 -4.824 -5.434 2.717 158 H GLN 23 H GLN 23 -2.560 -2.423 6.272 159 HA GLN 23 HA GLN 23 -1.595 -0.014 5.086 160 1HB GLN 23 1HB GLN 23 -1.998 -0.412 8.010 161 2HB GLN 23 2HB GLN 23 -2.196 1.047 7.061 162 1HG GLN 23 1HG GLN 23 -3.960 -0.643 5.870 163 2HG GLN 23 2HG GLN 23 -4.057 -1.143 7.547 164 1HE2 GLN 23 2HE2 GLN 23 -6.349 -0.354 6.807 165 2HE2 GLN 23 1HE2 GLN 23 -6.710 1.302 7.243 166 H ARG 24 H ARG 24 0.071 -2.621 6.091 167 HA ARG 24 HA ARG 24 2.556 -1.185 6.338 168 1HB ARG 24 1HB ARG 24 2.893 -2.668 8.550 169 2HB ARG 24 2HB ARG 24 2.416 -0.981 8.570 170 1HG ARG 24 1HG ARG 24 0.134 -1.529 8.904 171 2HG ARG 24 2HG ARG 24 0.407 -3.215 8.512 172 1HD ARG 24 1HD ARG 24 2.121 -2.567 10.657 173 2HD ARG 24 2HD ARG 24 0.535 -1.936 11.052 174 HE ARG 24 HE ARG 24 -0.093 -4.423 10.216 175 1HH1 ARG 24 1HH2 ARG 24 2.348 -3.310 12.466 176 2HH1 ARG 24 2HH2 ARG 24 2.267 -4.771 13.424 177 1HH2 ARG 24 1HH1 ARG 24 -0.163 -6.270 11.501 178 2HH2 ARG 24 2HH1 ARG 24 0.888 -6.397 12.894 179 H LYS 25 H LYS 25 1.782 -2.827 4.339 180 HA LYS 25 HA LYS 25 3.823 -4.770 4.335 181 1HB LYS 25 1HB LYS 25 2.708 -6.199 5.749 182 2HB LYS 25 2HB LYS 25 1.133 -5.743 5.133 183 1HG LYS 25 1HG LYS 25 1.264 -7.150 3.353 184 2HG LYS 25 2HG LYS 25 3.015 -7.082 3.292 185 1HD LYS 25 1HD LYS 25 1.425 -8.523 5.407 186 2HD LYS 25 2HD LYS 25 2.176 -9.290 4.022 187 1HE LYS 25 1HE LYS 25 4.225 -7.772 5.147 188 2HE LYS 25 2HE LYS 25 3.382 -8.438 6.531 189 1HZ LYS 25 1HZ LYS 25 3.626 -10.609 5.573 190 2HZ LYS 25 2HZ LYS 25 4.422 -9.980 4.266 191 3HZ LYS 25 3HZ LYS 25 5.107 -9.896 5.771 192 H ASP 26 H ASP 26 0.513 -4.961 3.072 193 HA ASP 26 HA ASP 26 1.326 -5.510 0.436 194 1HB ASP 26 1HB ASP 26 -1.246 -4.187 1.164 195 2HB ASP 26 2HB ASP 26 -0.922 -5.285 -0.162 196 H LEU 27 H LEU 27 -0.521 -3.535 -0.813 197 HA LEU 27 HA LEU 27 1.409 -1.619 -1.556 198 1HB LEU 27 1HB LEU 27 -1.542 -1.804 -1.964 199 2HB LEU 27 2HB LEU 27 -0.566 -0.517 -2.642 200 HG LEU 27 HG LEU 27 -1.168 -2.505 -4.087 201 1HD1 LEU 27 1HD1 LEU 27 0.334 -0.784 -4.820 202 2HD1 LEU 27 2HD1 LEU 27 1.686 -1.553 -3.919 203 3HD1 LEU 27 3HD1 LEU 27 0.949 -2.394 -5.327 204 1HD2 LEU 27 1HD2 LEU 27 1.077 -3.779 -2.555 205 2HD2 LEU 27 2HD2 LEU 27 -0.640 -4.310 -2.611 206 3HD2 LEU 27 3HD2 LEU 27 0.373 -4.387 -4.094 207 H SER 28 H SER 28 2.206 -0.708 0.366 208 HA SER 28 HA SER 28 0.462 1.259 1.636 209 1HB SER 28 1HB SER 28 0.968 -1.108 2.972 210 2HB SER 28 2HB SER 28 2.149 0.014 3.619 211 HG SER 28 HG SER 28 0.102 0.190 4.674 212 H SER 29 H SER 29 2.251 1.724 -0.347 213 HA SER 29 HA SER 29 3.961 3.637 0.870 214 1HB SER 29 1HB SER 29 5.063 1.072 0.927 215 2HB SER 29 2HB SER 29 5.815 1.859 -0.446 216 HG SER 29 HG SER 29 6.963 2.216 1.505 217 H CYS 30 H CYS 30 3.256 1.519 -1.886 218 HA CYS 30 HA CYS 30 4.531 2.951 -3.910 219 1HB CYS 30 1HB CYS 30 1.833 1.682 -4.161 220 2HB CYS 30 2HB CYS 30 3.026 1.921 -5.422 221 H GLU 31 H GLU 31 1.170 3.293 -2.750 222 HA GLU 31 HA GLU 31 0.764 5.717 -4.242 223 1HB GLU 31 1HB GLU 31 -0.799 3.968 -2.613 224 2HB GLU 31 2HB GLU 31 -1.028 5.616 -2.065 225 1HG GLU 31 1HG GLU 31 -1.319 4.679 -4.905 226 2HG GLU 31 2HG GLU 31 -2.646 4.965 -3.797 227 H ARG 32 H ARG 32 1.878 4.949 -0.987 228 HA ARG 32 HA ARG 32 1.690 7.520 0.145 229 1HB ARG 32 1HB ARG 32 2.319 5.268 1.231 230 2HB ARG 32 2HB ARG 32 3.950 5.655 0.725 231 1HG ARG 32 1HG ARG 32 3.746 6.490 2.941 232 2HG ARG 32 2HG ARG 32 3.641 7.890 1.893 233 1HD ARG 32 1HD ARG 32 1.814 8.323 3.203 234 2HD ARG 32 2HD ARG 32 1.038 7.287 2.023 235 HE ARG 32 HE ARG 32 0.818 5.608 3.620 236 1HH1 ARG 32 1HH2 ARG 32 2.814 8.200 4.867 237 2HH1 ARG 32 2HH2 ARG 32 2.814 7.558 6.494 238 1HH2 ARG 32 1HH1 ARG 32 0.859 4.796 5.715 239 2HH2 ARG 32 2HH1 ARG 32 1.725 5.661 6.965 240 H TYR 33 H TYR 33 4.176 6.070 -1.917 241 HA TYR 33 HA TYR 33 6.220 7.915 -1.687 242 1HB TYR 33 1HB TYR 33 6.424 5.862 -2.893 243 2HB TYR 33 2HB TYR 33 5.130 6.315 -3.984 244 HD1 TYR 33 1HD TYR 33 5.717 7.070 -6.109 245 HD2 TYR 33 2HD TYR 33 8.412 7.626 -2.846 246 HE1 TYR 33 1HE TYR 33 7.433 7.989 -7.691 247 HE2 TYR 33 2HE TYR 33 10.122 8.583 -4.392 248 HH TYR 33 HH TYR 33 10.617 9.078 -6.478 249 H LEU 34 H LEU 34 3.498 7.888 -4.015 250 HA LEU 34 HA LEU 34 4.185 10.501 -5.009 251 1HB LEU 34 1HB LEU 34 2.526 10.190 -6.543 252 2HB LEU 34 2HB LEU 34 2.992 8.542 -6.173 253 HG LEU 34 HG LEU 34 1.023 8.789 -4.428 254 1HD1 LEU 34 1HD1 LEU 34 0.494 11.118 -4.957 255 2HD1 LEU 34 2HD1 LEU 34 0.207 10.661 -6.672 256 3HD1 LEU 34 3HD1 LEU 34 -0.878 10.037 -5.381 257 1HD2 LEU 34 1HD2 LEU 34 0.705 8.200 -7.366 258 2HD2 LEU 34 2HD2 LEU 34 1.260 7.058 -6.093 259 3HD2 LEU 34 3HD2 LEU 34 -0.425 7.685 -6.067 260 H ARG 35 H ARG 35 2.247 9.243 -2.411 261 HA ARG 35 HA ARG 35 0.604 11.546 -2.033 262 1HB ARG 35 1HB ARG 35 0.229 9.180 -1.150 263 2HB ARG 35 2HB ARG 35 1.381 9.594 0.104 264 1HG ARG 35 1HG ARG 35 -0.801 11.533 -0.395 265 2HG ARG 35 2HG ARG 35 -1.250 10.023 0.370 266 1HD ARG 35 1HD ARG 35 1.124 11.005 1.616 267 2HD ARG 35 2HD ARG 35 -0.058 12.297 1.570 268 HE ARG 35 HE ARG 35 -1.239 9.832 2.474 269 1HH1 ARG 35 1HH2 ARG 35 0.788 12.474 3.557 270 2HH1 ARG 35 2HH2 ARG 35 0.312 12.281 5.230 271 1HH2 ARG 35 1HH1 ARG 35 -1.835 9.626 4.611 272 2HH2 ARG 35 2HH1 ARG 35 -1.151 10.691 5.818 273 H GLN 36 H GLN 36 3.689 10.439 -0.706 274 HA GLN 36 HA GLN 36 3.976 12.732 1.005 275 1HB GLN 36 1HB GLN 36 5.125 10.154 0.826 276 2HB GLN 36 2HB GLN 36 6.424 11.317 0.659 277 1HG GLN 36 1HG GLN 36 4.967 12.410 2.696 278 2HG GLN 36 2HG GLN 36 4.757 10.696 2.993 279 1HE2 GLN 36 2HE2 GLN 36 6.951 13.380 2.960 280 2HE2 GLN 36 1HE2 GLN 36 8.327 12.552 3.654 281 H SER 37 H SER 37 6.626 13.358 0.773 282 HA SER 37 HA SER 37 6.570 15.030 -1.604 283 1HB SER 37 1HB SER 37 7.320 15.702 0.769 284 2HB SER 37 2HB SER 37 8.821 14.896 0.361 285 HG SER 37 HG SER 37 8.861 17.136 -0.151 286 H SER 38 H SER 38 9.491 15.156 -1.764 287 HA SER 38 HA SER 38 10.074 12.571 -3.072 288 1HB SER 38 1HB SER 38 10.118 15.287 -4.192 289 2HB SER 38 2HB SER 38 11.456 14.241 -4.622 290 HG SER 38 HG SER 38 9.699 14.059 -6.077 291 H SER 39 H SER 39 10.755 13.208 -0.427 292 HA SER 39 HA SER 39 13.503 14.148 -0.420 293 1HB SER 39 1HB SER 39 11.525 14.080 1.460 294 2HB SER 39 2HB SER 39 12.563 12.759 1.961 295 HG SER 39 HG SER 39 13.206 14.769 2.864 296 H ARG 40 H ARG 40 14.730 12.500 1.405 297 HA ARG 40 HA ARG 40 14.565 9.726 0.687 298 1HB ARG 40 1HB ARG 40 15.663 10.725 -1.342 299 2HB ARG 40 2HB ARG 40 16.988 11.219 -0.307 300 1HG ARG 40 1HG ARG 40 16.203 8.418 -0.003 301 2HG ARG 40 2HG ARG 40 16.824 8.818 -1.591 302 1HD ARG 40 1HD ARG 40 18.341 9.762 0.773 303 2HD ARG 40 2HD ARG 40 18.420 8.058 0.371 304 HE ARG 40 HE ARG 40 18.951 9.190 -2.022 305 1HH1 ARG 40 1HH2 ARG 40 20.267 9.842 1.152 306 2HH1 ARG 40 2HH2 ARG 40 21.818 10.343 0.517 307 1HH2 ARG 40 1HH1 ARG 40 20.941 9.822 -2.802 308 2HH2 ARG 40 2HH1 ARG 40 22.195 10.332 -1.695 309 H ARG 41 H ARG 41 14.567 9.313 2.855 310 HA ARG 41 HA ARG 41 17.069 8.996 4.116 311 1HB ARG 41 1HB ARG 41 16.560 11.592 4.237 312 2HB ARG 41 2HB ARG 41 15.549 11.097 5.579 313 1HG ARG 41 1HG ARG 41 18.224 9.889 5.574 314 2HG ARG 41 2HG ARG 41 18.221 11.631 5.768 315 1HD ARG 41 1HD ARG 41 16.284 11.038 7.508 316 2HD ARG 41 2HD ARG 41 17.166 9.525 7.579 317 HE ARG 41 HE ARG 41 18.809 10.584 8.796 318 1HH1 ARG 41 1HH2 ARG 41 17.021 13.016 7.009 319 2HH1 ARG 41 2HH2 ARG 41 17.910 14.340 7.728 320 1HH2 ARG 41 1HH1 ARG 41 19.927 12.309 9.686 321 2HH2 ARG 41 2HH1 ARG 41 19.527 13.946 9.217 322 H SER 42 H SER 42 16.900 8.046 6.207 323 HA SER 42 HA SER 42 14.397 7.692 7.530 324 1HB SER 42 1HB SER 42 14.137 6.224 5.447 325 2HB SER 42 2HB SER 42 15.377 5.206 6.151 326 HG SER 42 HG SER 42 13.263 4.517 6.699 327 H THR 43 H THR 43 14.653 6.781 9.505 328 HA THR 43 HA THR 43 17.310 6.725 10.565 329 HB THR 43 HB THR 43 16.141 6.246 12.686 330 HG1 THR 43 1HG THR 43 13.864 5.971 12.538 331 1HG2 THR 43 1HG2 THR 43 16.014 8.614 11.791 332 2HG2 THR 43 2HG2 THR 43 14.501 8.152 10.935 333 3HG2 THR 43 3HG2 THR 43 14.553 8.150 12.732 334 H GLY 44 H GLY 44 18.569 5.148 9.717 335 1HA GLY 44 1HA GLY 44 18.157 2.459 10.689 336 2HA GLY 44 2HA GLY 44 17.950 2.590 8.954 337 H GLU 45 H GLU 45 19.676 2.146 7.809 338 HA GLU 45 HA GLU 45 22.229 3.341 8.405 339 1HB GLU 45 1HB GLU 45 22.304 1.514 10.027 340 2HB GLU 45 2HB GLU 45 21.948 0.361 8.756 341 1HG GLU 45 1HG GLU 45 24.050 0.542 7.815 342 2HG GLU 45 2HG GLU 45 24.295 2.167 8.420 343 H GLU 46 H GLU 46 20.779 0.492 6.791 344 HA GLU 46 HA GLU 46 21.678 1.577 4.223 345 1HB GLU 46 1HB GLU 46 23.259 -0.288 5.409 346 2HB GLU 46 2HB GLU 46 22.178 -1.296 4.469 347 1HG GLU 46 1HG GLU 46 23.591 -0.866 2.754 348 2HG GLU 46 2HG GLU 46 22.782 0.686 2.682 349 H VAL 47 H VAL 47 20.013 1.603 2.934 350 HA VAL 47 HA VAL 47 17.652 0.026 3.543 351 HB VAL 47 HB VAL 47 17.984 1.723 1.119 352 1HG1 VAL 47 1HG1 VAL 47 15.924 0.409 1.327 353 2HG1 VAL 47 2HG1 VAL 47 15.637 1.127 2.950 354 3HG1 VAL 47 3HG1 VAL 47 15.583 2.168 1.484 355 1HG2 VAL 47 1HG2 VAL 47 17.397 2.717 3.931 356 2HG2 VAL 47 2HG2 VAL 47 18.880 3.065 2.976 357 3HG2 VAL 47 3HG2 VAL 47 17.288 3.701 2.430 358 H LEU 48 H LEU 48 19.479 -1.807 3.182 359 HA LEU 48 HA LEU 48 18.562 -3.364 1.031 360 1HB LEU 48 1HB LEU 48 20.012 -3.124 -0.640 361 2HB LEU 48 2HB LEU 48 20.158 -1.511 0.029 362 HG LEU 48 HG LEU 48 22.082 -2.848 1.389 363 1HD1 LEU 48 1HD1 LEU 48 21.764 -4.901 0.098 364 2HD1 LEU 48 2HD1 LEU 48 22.022 -3.984 -1.426 365 3HD1 LEU 48 3HD1 LEU 48 23.372 -4.179 -0.255 366 1HD2 LEU 48 1HD2 LEU 48 22.367 -1.406 -1.248 367 2HD2 LEU 48 2HD2 LEU 48 22.313 -0.651 0.383 368 3HD2 LEU 48 3HD2 LEU 48 23.690 -1.714 -0.070 369 H ARG 49 H ARG 49 18.965 -3.477 3.869 370 HA ARG 49 HA ARG 49 21.203 -5.323 4.238 371 1HB ARG 49 1HB ARG 49 19.793 -3.554 5.886 372 2HB ARG 49 2HB ARG 49 19.440 -5.160 6.491 373 1HG ARG 49 1HG ARG 49 22.238 -4.247 5.871 374 2HG ARG 49 2HG ARG 49 21.508 -4.032 7.450 375 1HD ARG 49 1HD ARG 49 21.387 -6.352 7.838 376 2HD ARG 49 2HD ARG 49 21.608 -6.735 6.143 377 HE ARG 49 HE ARG 49 23.684 -6.204 8.107 378 1HH1 ARG 49 1HH2 ARG 49 22.922 -6.258 4.687 379 2HH1 ARG 49 2HH2 ARG 49 24.601 -6.397 4.213 380 1HH2 ARG 49 1HH1 ARG 49 25.824 -6.360 7.462 381 2HH2 ARG 49 2HH1 ARG 49 26.218 -6.454 5.760 382 H MET 50 H MET 50 18.975 -6.028 2.426 383 HA MET 50 HA MET 50 18.339 -8.609 3.706 384 1HB MET 50 1HB MET 50 16.505 -6.692 3.652 385 2HB MET 50 2HB MET 50 16.256 -7.340 2.043 386 1HG MET 50 1HG MET 50 16.477 -9.580 3.669 387 2HG MET 50 2HG MET 50 15.513 -8.455 4.603 388 1HE MET 50 1HE MET 50 15.955 -10.277 1.167 389 2HE MET 50 2HE MET 50 15.319 -11.337 2.472 390 3HE MET 50 3HE MET 50 14.296 -10.960 1.042 391 HA PRO 51 HA PRO 51 19.830 -8.951 -0.629 392 1HB PRO 51 1HB PRO 51 22.157 -10.348 -0.155 393 2HB PRO 51 2HB PRO 51 22.056 -8.613 -0.379 394 1HG PRO 51 1HG PRO 51 22.479 -10.134 2.101 395 2HG PRO 51 2HG PRO 51 22.803 -8.442 1.780 396 1HD PRO 51 1HD PRO 51 20.594 -9.531 3.209 397 2HD PRO 51 2HD PRO 51 20.864 -7.850 2.798 398 H GLY 52 H GLY 52 17.811 -10.243 -0.303 399 1HA GLY 52 1HA GLY 52 18.478 -13.140 -0.299 400 2HA GLY 52 2HA GLY 52 16.983 -12.494 0.347 401 H ASP 53 H ASP 53 17.610 -10.572 -2.213 402 HA ASP 53 HA ASP 53 17.068 -11.966 -4.517 403 1HB ASP 53 1HB ASP 53 14.570 -11.533 -4.722 404 2HB ASP 53 2HB ASP 53 15.086 -12.937 -3.810 405 H GLU 54 H GLU 54 17.892 -10.355 -5.775 406 HA GLU 54 HA GLU 54 18.025 -7.727 -5.406 407 1HB GLU 54 1HB GLU 54 18.253 -7.419 -7.699 408 2HB GLU 54 2HB GLU 54 18.728 -9.083 -7.423 409 1HG GLU 54 1HG GLU 54 16.190 -9.560 -7.929 410 2HG GLU 54 2HG GLU 54 16.278 -8.011 -8.742 411 H ASN 55 H ASN 55 16.665 -6.314 -4.579 412 HA ASN 55 HA ASN 55 13.851 -6.418 -5.511 413 1HB ASN 55 1HB ASN 55 14.813 -5.080 -3.019 414 2HB ASN 55 2HB ASN 55 13.173 -5.519 -3.454 415 1HD2 ASN 55 2HD2 ASN 55 16.056 -6.446 -1.917 416 2HD2 ASN 55 1HD2 ASN 55 15.521 -8.039 -1.431 417 H GLN 56 H GLN 56 15.991 -5.197 -6.974 418 HA GLN 56 HA GLN 56 15.437 -2.327 -6.583 419 1HB GLN 56 1HB GLN 56 17.496 -2.353 -8.315 420 2HB GLN 56 2HB GLN 56 17.684 -2.288 -6.575 421 1HG GLN 56 1HG GLN 56 18.053 -4.654 -6.455 422 2HG GLN 56 2HG GLN 56 17.623 -4.859 -8.140 423 1HE2 GLN 56 2HE2 GLN 56 20.119 -4.559 -5.962 424 2HE2 GLN 56 1HE2 GLN 56 21.408 -4.130 -7.064 425 H GLN 57 H GLN 57 15.355 -1.000 -8.564 426 HA GLN 57 HA GLN 57 14.049 -2.499 -10.764 427 1HB GLN 57 1HB GLN 57 12.897 -0.560 -9.090 428 2HB GLN 57 2HB GLN 57 13.154 0.219 -10.638 429 1HG GLN 57 1HG GLN 57 11.030 -0.768 -10.846 430 2HG GLN 57 2HG GLN 57 12.101 -1.889 -11.661 431 1HE2 GLN 57 2HE2 GLN 57 11.043 -3.784 -11.377 432 2HE2 GLN 57 1HE2 GLN 57 10.679 -4.482 -9.816 433 H GLN 58 H GLN 58 15.914 0.357 -9.812 434 HA GLN 58 HA GLN 58 17.742 0.184 -11.921 435 1HB GLN 58 1HB GLN 58 15.247 1.257 -12.773 436 2HB GLN 58 2HB GLN 58 16.431 2.548 -12.786 437 1HG GLN 58 1HG GLN 58 17.400 -0.002 -13.877 438 2HG GLN 58 2HG GLN 58 16.108 0.736 -14.801 439 1HE2 GLN 58 2HE2 GLN 58 19.427 0.818 -13.947 440 2HE2 GLN 58 1HE2 GLN 58 19.876 2.235 -14.869 441 H GLU 59 H GLU 59 15.828 2.681 -10.238 442 HA GLU 59 HA GLU 59 17.917 3.469 -8.531 443 1HB GLU 59 1HB GLU 59 18.548 5.632 -9.487 444 2HB GLU 59 2HB GLU 59 19.069 4.288 -10.484 445 1HG GLU 59 1HG GLU 59 17.982 5.165 -12.231 446 2HG GLU 59 2HG GLU 59 16.471 5.048 -11.350 447 H SER 60 H SER 60 16.142 3.361 -7.118 448 HA SER 60 HA SER 60 14.846 5.863 -6.711 449 1HB SER 60 1HB SER 60 12.501 5.013 -6.998 450 2HB SER 60 2HB SER 60 13.374 5.306 -8.489 451 HG SER 60 HG SER 60 12.280 3.286 -8.497 452 H GLN 61 H GLN 61 15.934 5.412 -4.733 453 HA GLN 61 HA GLN 61 15.623 3.176 -3.124 454 1HB GLN 61 1HB GLN 61 15.823 4.840 -1.190 455 2HB GLN 61 2HB GLN 61 17.126 4.798 -2.360 456 1HG GLN 61 1HG GLN 61 14.958 6.655 -3.021 457 2HG GLN 61 2HG GLN 61 15.839 7.057 -1.560 458 1HE2 GLN 61 2HE2 GLN 61 15.817 8.661 -3.859 459 2HE2 GLN 61 1HE2 GLN 61 17.441 8.705 -4.507 460 H GLN 62 H GLN 62 13.335 5.810 -3.674 461 HA GLN 62 HA GLN 62 11.528 5.024 -1.597 462 1HB GLN 62 1HB GLN 62 11.775 7.110 -3.488 463 2HB GLN 62 2HB GLN 62 10.187 6.393 -3.668 464 1HG GLN 62 1HG GLN 62 9.596 6.851 -1.439 465 2HG GLN 62 2HG GLN 62 11.263 7.094 -0.955 466 1HE2 GLN 62 2HE2 GLN 62 12.299 8.839 -2.644 467 2HE2 GLN 62 1HE2 GLN 62 11.426 10.354 -2.656 468 H LEU 63 H LEU 63 11.216 4.829 -5.174 469 HA LEU 63 HA LEU 63 8.959 3.220 -5.252 470 1HB LEU 63 1HB LEU 63 10.619 4.289 -7.075 471 2HB LEU 63 2HB LEU 63 11.055 2.597 -7.209 472 HG LEU 63 HG LEU 63 8.332 3.755 -7.567 473 1HD1 LEU 63 1HD1 LEU 63 9.794 4.328 -9.404 474 2HD1 LEU 63 2HD1 LEU 63 10.263 2.601 -9.572 475 3HD1 LEU 63 3HD1 LEU 63 8.573 3.111 -9.915 476 1HD2 LEU 63 1HD2 LEU 63 9.288 0.906 -7.849 477 2HD2 LEU 63 2HD2 LEU 63 8.192 1.548 -6.577 478 3HD2 LEU 63 3HD2 LEU 63 7.655 1.511 -8.293 479 H GLN 64 H GLN 64 12.255 2.351 -4.433 480 HA GLN 64 HA GLN 64 12.022 -0.446 -4.627 481 1HB GLN 64 1HB GLN 64 14.151 0.687 -4.377 482 2HB GLN 64 2HB GLN 64 13.687 1.225 -2.775 483 1HG GLN 64 1HG GLN 64 14.292 -0.705 -1.868 484 2HG GLN 64 2HG GLN 64 13.345 -1.611 -3.031 485 1HE2 GLN 64 2HE2 GLN 64 15.710 -2.585 -1.993 486 2HE2 GLN 64 1HE2 GLN 64 16.916 -2.626 -3.261 487 H GLN 65 H GLN 65 11.272 1.792 -1.945 488 HA GLN 65 HA GLN 65 10.593 -0.116 -0.029 489 1HB GLN 65 1HB GLN 65 10.341 2.708 -0.372 490 2HB GLN 65 2HB GLN 65 8.828 2.068 0.237 491 1HG GLN 65 1HG GLN 65 10.103 0.871 2.007 492 2HG GLN 65 2HG GLN 65 11.564 1.651 1.434 493 1HE2 GLN 65 2HE2 GLN 65 9.312 1.762 3.771 494 2HE2 GLN 65 1HE2 GLN 65 9.317 3.470 4.148 495 H CYS 66 H CYS 66 8.716 1.129 -2.787 496 HA CYS 66 HA CYS 66 6.262 -0.073 -1.981 497 1HB CYS 66 1HB CYS 66 6.046 1.586 -3.574 498 2HB CYS 66 2HB CYS 66 7.372 0.960 -4.535 499 H CYS 67 H CYS 67 8.855 -1.115 -4.262 500 HA CYS 67 HA CYS 67 7.690 -3.614 -4.842 501 1HB CYS 67 1HB CYS 67 9.654 -2.447 -5.971 502 2HB CYS 67 2HB CYS 67 10.634 -3.126 -4.688 503 H ASN 68 H ASN 68 10.084 -2.679 -2.363 504 HA ASN 68 HA ASN 68 10.358 -5.213 -1.171 505 1HB ASN 68 1HB ASN 68 10.494 -2.567 0.240 506 2HB ASN 68 2HB ASN 68 11.313 -4.053 0.677 507 1HD2 ASN 68 2HD2 ASN 68 12.200 -4.831 -1.867 508 2HD2 ASN 68 1HD2 ASN 68 13.454 -3.705 -2.334 509 H GLN 69 H GLN 69 7.907 -2.747 -0.957 510 HA GLN 69 HA GLN 69 6.686 -3.793 1.437 511 1HB GLN 69 1HB GLN 69 5.998 -1.660 -0.530 512 2HB GLN 69 2HB GLN 69 4.782 -2.237 0.591 513 1HG GLN 69 1HG GLN 69 7.380 -1.666 1.825 514 2HG GLN 69 2HG GLN 69 6.588 -0.261 1.138 515 1HE2 GLN 69 2HE2 GLN 69 6.775 -2.346 3.782 516 2HE2 GLN 69 1HE2 GLN 69 5.334 -1.803 4.612 517 H VAL 70 H VAL 70 5.978 -3.868 -2.034 518 HA VAL 70 HA VAL 70 3.643 -5.526 -1.725 519 HB VAL 70 HB VAL 70 5.197 -5.132 -4.252 520 1HG1 VAL 70 1HG1 VAL 70 3.331 -6.725 -4.295 521 2HG1 VAL 70 2HG1 VAL 70 2.243 -5.451 -3.642 522 3HG1 VAL 70 3HG1 VAL 70 2.961 -5.267 -5.280 523 1HG2 VAL 70 1HG2 VAL 70 3.187 -3.196 -3.041 524 2HG2 VAL 70 2HG2 VAL 70 4.948 -2.895 -3.239 525 3HG2 VAL 70 3HG2 VAL 70 3.899 -3.075 -4.687 526 H LYS 71 H LYS 71 7.033 -6.021 -1.729 527 HA LYS 71 HA LYS 71 6.966 -8.726 -2.725 528 1HB LYS 71 1HB LYS 71 8.940 -7.260 -2.937 529 2HB LYS 71 2HB LYS 71 9.111 -7.278 -1.193 530 1HG LYS 71 1HG LYS 71 9.166 -9.832 -1.405 531 2HG LYS 71 2HG LYS 71 9.426 -9.561 -3.116 532 1HD LYS 71 1HD LYS 71 11.580 -9.178 -2.751 533 2HD LYS 71 2HD LYS 71 11.177 -7.868 -1.659 534 1HE LYS 71 1HE LYS 71 10.938 -10.625 -0.595 535 2HE LYS 71 2HE LYS 71 12.557 -10.012 -0.864 536 1HZ LYS 71 1HZ LYS 71 12.011 -8.117 0.473 537 2HZ LYS 71 2HZ LYS 71 10.480 -8.696 0.728 538 3HZ LYS 71 3HZ LYS 71 11.786 -9.514 1.333 539 H GLN 72 H GLN 72 6.565 -7.079 0.325 540 HA GLN 72 HA GLN 72 6.549 -9.647 1.735 541 1HB GLN 72 1HB GLN 72 6.961 -6.845 2.486 542 2HB GLN 72 2HB GLN 72 6.053 -7.805 3.638 543 1HG GLN 72 1HG GLN 72 8.150 -9.458 2.874 544 2HG GLN 72 2HG GLN 72 8.883 -7.872 3.009 545 1HE2 GLN 72 2HE2 GLN 72 9.731 -9.803 4.685 546 2HE2 GLN 72 1HE2 GLN 72 9.134 -9.537 6.308 547 H VAL 73 H VAL 73 4.401 -8.331 -0.198 548 HA VAL 73 HA VAL 73 2.112 -8.062 1.471 549 HB VAL 73 HB VAL 73 2.529 -7.088 -0.804 550 1HG1 VAL 73 1HG1 VAL 73 3.287 -9.103 -1.962 551 2HG1 VAL 73 2HG1 VAL 73 1.674 -9.850 -1.699 552 3HG1 VAL 73 3HG1 VAL 73 1.833 -8.403 -2.754 553 1HG2 VAL 73 1HG2 VAL 73 -0.060 -8.584 -0.346 554 2HG2 VAL 73 2HG2 VAL 73 0.354 -6.955 0.289 555 3HG2 VAL 73 3HG2 VAL 73 0.170 -7.209 -1.481 556 H ARG 74 H ARG 74 0.198 -9.432 1.342 557 HA ARG 74 HA ARG 74 0.860 -12.121 2.046 558 1HB ARG 74 1HB ARG 74 -1.808 -10.868 1.448 559 2HB ARG 74 2HB ARG 74 -1.573 -12.443 2.179 560 1HG ARG 74 1HG ARG 74 -0.160 -10.217 3.486 561 2HG ARG 74 2HG ARG 74 -1.908 -10.168 3.596 562 1HD ARG 74 1HD ARG 74 -1.313 -12.807 4.151 563 2HD ARG 74 2HD ARG 74 -0.017 -11.929 4.938 564 HE ARG 74 HE ARG 74 -1.542 -10.991 6.438 565 1HH1 ARG 74 1HH2 ARG 74 -3.246 -12.742 3.920 566 2HH1 ARG 74 2HH2 ARG 74 -4.786 -12.627 4.743 567 1HH2 ARG 74 1HH1 ARG 74 -3.539 -10.848 7.451 568 2HH2 ARG 74 2HH1 ARG 74 -4.948 -11.572 6.710 569 H ASP 75 H ASP 75 -1.465 -11.099 -0.438 570 HA ASP 75 HA ASP 75 -0.321 -12.218 -2.703 571 1HB ASP 75 1HB ASP 75 -0.245 -14.400 -1.853 572 2HB ASP 75 2HB ASP 75 -1.768 -14.216 -1.006 573 H GLU 76 H GLU 76 -3.479 -13.115 -1.334 574 HA GLU 76 HA GLU 76 -4.833 -11.947 -3.620 575 1HB GLU 76 1HB GLU 76 -6.879 -12.704 -2.385 576 2HB GLU 76 2HB GLU 76 -5.745 -13.979 -2.782 577 1HG GLU 76 1HG GLU 76 -5.250 -14.395 -0.609 578 2HG GLU 76 2HG GLU 76 -5.333 -12.704 -0.160 579 H CYS 77 H CYS 77 -3.489 -10.671 -0.857 580 HA CYS 77 HA CYS 77 -5.562 -8.665 -0.441 581 1HB CYS 77 1HB CYS 77 -2.895 -9.058 0.846 582 2HB CYS 77 2HB CYS 77 -4.114 -7.899 1.337 583 H GLN 78 H GLN 78 -3.297 -9.197 -2.752 584 HA GLN 78 HA GLN 78 -1.803 -6.857 -2.961 585 1HB GLN 78 1HB GLN 78 -2.718 -8.981 -4.772 586 2HB GLN 78 2HB GLN 78 -2.287 -7.468 -5.542 587 1HG GLN 78 1HG GLN 78 -0.111 -7.829 -5.223 588 2HG GLN 78 2HG GLN 78 -0.359 -8.207 -3.529 589 1HE2 GLN 78 2HE2 GLN 78 1.358 -9.759 -3.823 590 2HE2 GLN 78 1HE2 GLN 78 1.015 -11.308 -4.563 591 H CYS 79 H CYS 79 -4.523 -7.448 -5.197 592 HA CYS 79 HA CYS 79 -4.956 -4.799 -5.848 593 1HB CYS 79 1HB CYS 79 -6.398 -7.276 -6.045 594 2HB CYS 79 2HB CYS 79 -7.465 -5.904 -5.819 595 H GLU 80 H GLU 80 -6.701 -6.718 -3.364 596 HA GLU 80 HA GLU 80 -8.334 -4.824 -2.282 597 1HB GLU 80 1HB GLU 80 -7.859 -7.234 -1.516 598 2HB GLU 80 2HB GLU 80 -6.655 -6.507 -0.472 599 1HG GLU 80 1HG GLU 80 -8.730 -6.751 0.757 600 2HG GLU 80 2HG GLU 80 -8.416 -5.048 0.488 601 H ALA 81 H ALA 81 -4.840 -4.994 -1.879 602 HA ALA 81 HA ALA 81 -4.538 -2.971 0.040 603 1HB ALA 81 1HB ALA 81 -2.769 -4.537 -0.527 604 2HB ALA 81 2HB ALA 81 -2.702 -3.854 -2.189 605 3HB ALA 81 3HB ALA 81 -2.229 -2.840 -0.781 606 H ILE 82 H ILE 82 -4.200 -2.733 -3.527 607 HA ILE 82 HA ILE 82 -4.052 0.052 -3.643 608 HB ILE 82 HB ILE 82 -5.250 -1.823 -5.641 609 1HG1 ILE 82 1HG1 ILE 82 -3.006 -2.503 -4.929 610 2HG1 ILE 82 2HG1 ILE 82 -3.045 -1.989 -6.604 611 1HG2 ILE 82 1HG2 ILE 82 -5.780 0.502 -6.145 612 2HG2 ILE 82 2HG2 ILE 82 -4.040 0.929 -5.995 613 3HG2 ILE 82 3HG2 ILE 82 -4.588 -0.154 -7.321 614 1HD1 ILE 82 1HD1 ILE 82 -2.178 0.230 -5.967 615 2HD1 ILE 82 2HD1 ILE 82 -2.139 -0.298 -4.249 616 3HD1 ILE 82 3HD1 ILE 82 -1.063 -1.085 -5.456 617 H LYS 83 H LYS 83 -6.879 -2.060 -3.391 618 HA LYS 83 HA LYS 83 -8.768 0.046 -3.829 619 1HB LYS 83 1HB LYS 83 -8.842 -2.778 -2.993 620 2HB LYS 83 2HB LYS 83 -10.199 -1.791 -2.489 621 1HG LYS 83 1HG LYS 83 -10.543 -2.899 -4.709 622 2HG LYS 83 2HG LYS 83 -10.661 -1.151 -4.774 623 1HD LYS 83 1HD LYS 83 -8.176 -1.198 -5.437 624 2HD LYS 83 2HD LYS 83 -8.422 -2.905 -5.742 625 1HE LYS 83 1HE LYS 83 -9.625 -2.527 -7.615 626 2HE LYS 83 2HE LYS 83 -10.428 -1.126 -6.936 627 1HZ LYS 83 1HZ LYS 83 -8.437 0.133 -7.306 628 2HZ LYS 83 2HZ LYS 83 -7.679 -1.192 -7.948 629 3HZ LYS 83 3HZ LYS 83 -8.977 -0.524 -8.728 630 H TYR 84 H TYR 84 -6.624 -0.510 -1.370 631 HA TYR 84 HA TYR 84 -8.258 0.856 0.667 632 1HB TYR 84 1HB TYR 84 -7.490 -0.998 1.714 633 2HB TYR 84 2HB TYR 84 -6.133 -1.175 0.620 634 HD1 TYR 84 1HD TYR 84 -3.963 -0.719 1.364 635 HD2 TYR 84 2HD TYR 84 -7.354 1.014 3.381 636 HE1 TYR 84 1HE TYR 84 -2.425 0.215 3.109 637 HE2 TYR 84 2HE TYR 84 -5.811 1.987 5.106 638 HH TYR 84 HH TYR 84 -3.724 2.257 5.675 639 H ILE 85 H ILE 85 -4.805 0.656 -0.220 640 HA ILE 85 HA ILE 85 -4.134 3.148 0.872 641 HB ILE 85 HB ILE 85 -2.597 1.284 0.401 642 1HG1 ILE 85 1HG1 ILE 85 -0.699 2.672 -0.112 643 2HG1 ILE 85 2HG1 ILE 85 -1.746 3.900 -0.797 644 1HG2 ILE 85 1HG2 ILE 85 -3.333 0.654 -1.832 645 2HG2 ILE 85 2HG2 ILE 85 -2.780 2.243 -2.465 646 3HG2 ILE 85 3HG2 ILE 85 -1.583 1.063 -1.830 647 1HD1 ILE 85 1HD1 ILE 85 -2.817 4.246 1.404 648 2HD1 ILE 85 2HD1 ILE 85 -1.743 2.987 2.107 649 3HD1 ILE 85 3HD1 ILE 85 -1.043 4.522 1.486 650 H ALA 86 H ALA 86 -4.690 2.186 -2.527 651 HA ALA 86 HA ALA 86 -4.626 4.914 -3.426 652 1HB ALA 86 1HB ALA 86 -3.809 3.094 -4.837 653 2HB ALA 86 2HB ALA 86 -5.443 2.347 -4.809 654 3HB ALA 86 3HB ALA 86 -5.195 3.935 -5.612 655 H GLU 87 H GLU 87 -6.312 5.052 -1.437 656 HA GLU 87 HA GLU 87 -8.722 5.937 -2.616 657 1HB GLU 87 1HB GLU 87 -8.919 3.330 -2.458 658 2HB GLU 87 2HB GLU 87 -9.245 3.668 -0.769 659 1HG GLU 87 1HG GLU 87 -10.957 5.376 -1.623 660 2HG GLU 87 2HG GLU 87 -10.784 4.592 -3.181 661 H ASP 88 H ASP 88 -7.457 4.564 0.435 662 HA ASP 88 HA ASP 88 -8.922 6.218 2.192 663 1HB ASP 88 1HB ASP 88 -6.487 4.559 2.325 664 2HB ASP 88 2HB ASP 88 -6.586 5.843 3.512 665 H GLN 89 H GLN 89 -5.587 6.511 0.893 666 HA GLN 89 HA GLN 89 -5.118 9.085 1.995 667 1HB GLN 89 1HB GLN 89 -3.223 9.161 0.468 668 2HB GLN 89 2HB GLN 89 -3.316 7.602 1.262 669 1HG GLN 89 1HG GLN 89 -3.327 6.605 -0.728 670 2HG GLN 89 2HG GLN 89 -4.836 7.409 -1.107 671 1HE2 GLN 89 2HE2 GLN 89 -4.889 9.030 -2.585 672 2HE2 GLN 89 1HE2 GLN 89 -3.460 9.697 -3.344 673 H ILE 90 H ILE 90 -6.721 8.005 -0.960 674 HA ILE 90 HA ILE 90 -6.661 10.456 -2.330 675 HB ILE 90 HB ILE 90 -8.664 8.241 -2.436 676 1HG1 ILE 90 1HG1 ILE 90 -6.161 8.690 -4.036 677 2HG1 ILE 90 2HG1 ILE 90 -6.427 7.425 -2.854 678 1HG2 ILE 90 1HG2 ILE 90 -9.560 10.279 -3.422 679 2HG2 ILE 90 2HG2 ILE 90 -8.076 10.450 -4.421 680 3HG2 ILE 90 3HG2 ILE 90 -9.192 9.067 -4.696 681 1HD1 ILE 90 1HD1 ILE 90 -8.248 6.491 -4.231 682 2HD1 ILE 90 2HD1 ILE 90 -7.975 7.790 -5.442 683 3HD1 ILE 90 3HD1 ILE 90 -6.702 6.558 -5.144 684 H GLN 91 H GLN 91 -9.003 9.063 -0.035 685 HA GLN 91 HA GLN 91 -10.645 11.430 -0.090 686 1HB GLN 91 1HB GLN 91 -10.702 9.238 1.953 687 2HB GLN 91 2HB GLN 91 -11.998 10.333 1.514 688 1HG GLN 91 1HG GLN 91 -11.378 9.160 -0.888 689 2HG GLN 91 2HG GLN 91 -11.146 7.842 0.243 690 1HE2 GLN 91 2HE2 GLN 91 -13.312 9.348 -1.728 691 2HE2 GLN 91 1HE2 GLN 91 -14.815 8.903 -0.951 692 H GLN 92 H GLN 92 -8.105 10.133 1.970 693 HA GLN 92 HA GLN 92 -8.443 12.027 4.067 694 1HB GLN 92 1HB GLN 92 -7.093 9.725 3.895 695 2HB GLN 92 2HB GLN 92 -5.777 10.842 3.597 696 1HG GLN 92 1HG GLN 92 -5.646 11.032 5.833 697 2HG GLN 92 2HG GLN 92 -7.091 12.013 5.705 698 1HE2 GLN 92 2HE2 GLN 92 -5.696 9.293 7.080 699 2HE2 GLN 92 1HE2 GLN 92 -7.144 8.499 7.657 700 H GLY 93 H GLY 93 -5.985 11.755 1.505 701 1HA GLY 93 1HA GLY 93 -4.858 14.317 1.900 702 2HA GLY 93 2HA GLY 93 -4.669 13.290 0.493 703 H GLN 94 H GLN 94 -4.664 15.673 -0.282 704 HA GLN 94 HA GLN 94 -7.361 16.713 -0.718 705 1HB GLN 94 1HB GLN 94 -4.821 17.834 -1.828 706 2HB GLN 94 2HB GLN 94 -6.349 18.655 -1.572 707 1HG GLN 94 1HG GLN 94 -6.011 18.105 0.910 708 2HG GLN 94 2HG GLN 94 -4.351 17.753 0.474 709 1HE2 GLN 94 2HE2 GLN 94 -3.741 19.449 1.921 710 2HE2 GLN 94 1HE2 GLN 94 -3.822 21.116 1.396 711 H LEU 95 H LEU 95 -7.007 14.181 -1.817 712 HA LEU 95 HA LEU 95 -6.563 14.605 -4.672 713 1HB LEU 95 1HB LEU 95 -7.275 12.052 -3.310 714 2HB LEU 95 2HB LEU 95 -6.564 12.269 -4.897 715 HG LEU 95 HG LEU 95 -4.824 11.508 -3.580 716 1HD1 LEU 95 1HD1 LEU 95 -4.124 13.441 -4.898 717 2HD1 LEU 95 2HD1 LEU 95 -4.578 14.527 -3.539 718 3HD1 LEU 95 3HD1 LEU 95 -3.222 13.362 -3.345 719 1HD2 LEU 95 1HD2 LEU 95 -5.641 13.475 -1.457 720 2HD2 LEU 95 2HD2 LEU 95 -5.876 11.693 -1.417 721 3HD2 LEU 95 3HD2 LEU 95 -4.215 12.382 -1.388 722 H HIS 96 H HIS 96 -8.932 15.537 -2.828 723 HA HIS 96 HA HIS 96 -11.111 14.394 -4.430 724 1HB HIS 96 1HB HIS 96 -10.835 15.590 -1.768 725 2HB HIS 96 2HB HIS 96 -12.327 15.935 -2.619 726 HD1 HIS 96 1HD HIS 96 -14.028 14.428 -1.491 727 HD2 HIS 96 2HD HIS 96 -10.421 12.499 -2.480 728 HE1 HIS 96 1HE HIS 96 -14.367 11.952 -0.912 729 HE2 HIS 96 2HE HIS 96 -12.187 10.774 -1.616 730 H GLY 97 H GLY 97 -12.961 16.241 -4.581 731 1HA GLY 97 1HA GLY 97 -13.557 18.329 -5.417 732 2HA GLY 97 2HA GLY 97 -11.868 18.791 -5.484 733 H GLU 98 H GLU 98 -10.563 17.319 -7.092 734 HA GLU 98 HA GLU 98 -11.820 16.218 -9.346 735 1HB GLU 98 1HB GLU 98 -12.579 18.598 -9.639 736 2HB GLU 98 2HB GLU 98 -10.899 19.010 -9.918 737 1HG GLU 98 1HG GLU 98 -10.789 17.667 -11.868 738 2HG GLU 98 2HG GLU 98 -12.295 16.858 -11.485 739 H GLU 99 H GLU 99 -9.647 15.713 -7.632 740 HA GLU 99 HA GLU 99 -7.488 15.563 -9.611 741 1HB GLU 99 1HB GLU 99 -5.849 16.095 -7.733 742 2HB GLU 99 2HB GLU 99 -6.687 17.433 -8.493 743 1HG GLU 99 1HG GLU 99 -8.373 17.280 -6.621 744 2HG GLU 99 2HG GLU 99 -7.267 16.177 -5.829 745 H SER 100 H SER 100 -9.576 13.854 -8.131 746 HA SER 100 HA SER 100 -7.975 12.020 -6.568 747 1HB SER 100 1HB SER 100 -9.956 11.257 -5.895 748 2HB SER 100 2HB SER 100 -10.670 12.553 -6.834 749 HG SER 100 HG SER 100 -11.571 10.525 -7.314 750 H GLU 101 H GLU 101 -9.083 12.303 -9.869 751 HA GLU 101 HA GLU 101 -8.421 9.588 -10.580 752 1HB GLU 101 1HB GLU 101 -10.053 11.147 -11.787 753 2HB GLU 101 2HB GLU 101 -8.633 11.911 -12.471 754 1HG GLU 101 1HG GLU 101 -8.997 10.336 -14.099 755 2HG GLU 101 2HG GLU 101 -8.009 9.376 -13.017 756 H ARG 102 H ARG 102 -6.857 12.793 -10.980 757 HA ARG 102 HA ARG 102 -4.594 11.960 -12.397 758 1HB ARG 102 1HB ARG 102 -3.533 13.958 -11.599 759 2HB ARG 102 2HB ARG 102 -5.222 14.314 -11.898 760 1HG ARG 102 1HG ARG 102 -5.597 14.825 -9.758 761 2HG ARG 102 2HG ARG 102 -4.756 13.397 -9.190 762 1HD ARG 102 1HD ARG 102 -2.616 14.711 -9.757 763 2HD ARG 102 2HD ARG 102 -3.665 16.115 -9.753 764 HE ARG 102 HE ARG 102 -4.250 14.873 -7.372 765 1HH1 ARG 102 1HH2 ARG 102 -1.235 15.855 -8.840 766 2HH1 ARG 102 2HH2 ARG 102 -0.463 16.156 -7.299 767 1HH2 ARG 102 1HH1 ARG 102 -3.238 15.300 -5.408 768 2HH2 ARG 102 2HH1 ARG 102 -1.577 15.848 -5.392 769 H VAL 103 H VAL 103 -5.502 11.348 -9.101 770 HA VAL 103 HA VAL 103 -2.843 10.674 -8.215 771 HB VAL 103 HB VAL 103 -5.591 10.542 -7.097 772 1HG1 VAL 103 1HG1 VAL 103 -4.545 8.457 -6.386 773 2HG1 VAL 103 2HG1 VAL 103 -3.117 9.383 -5.807 774 3HG1 VAL 103 3HG1 VAL 103 -4.713 9.605 -5.013 775 1HG2 VAL 103 1HG2 VAL 103 -3.026 11.894 -6.222 776 2HG2 VAL 103 2HG2 VAL 103 -4.414 12.679 -7.052 777 3HG2 VAL 103 3HG2 VAL 103 -4.614 12.024 -5.390 778 H ALA 104 H ALA 104 -5.522 9.054 -9.724 779 HA ALA 104 HA ALA 104 -4.854 6.388 -9.130 780 1HB ALA 104 1HB ALA 104 -7.018 7.057 -10.069 781 2HB ALA 104 2HB ALA 104 -6.195 7.572 -11.582 782 3HB ALA 104 3HB ALA 104 -6.215 5.836 -11.117 783 H GLN 105 H GLN 105 -3.875 8.535 -11.813 784 HA GLN 105 HA GLN 105 -2.189 6.550 -13.018 785 1HB GLN 105 1HB GLN 105 -1.431 8.337 -14.444 786 2HB GLN 105 2HB GLN 105 -3.170 8.444 -14.257 787 1HG GLN 105 1HG GLN 105 -2.949 10.236 -12.674 788 2HG GLN 105 2HG GLN 105 -1.206 10.059 -12.653 789 1HE2 GLN 105 2HE2 GLN 105 -0.108 11.476 -13.794 790 2HE2 GLN 105 1HE2 GLN 105 -0.698 12.322 -15.208 791 H ARG 106 H ARG 106 -1.784 8.979 -10.520 792 HA ARG 106 HA ARG 106 1.001 9.258 -10.520 793 1HB ARG 106 1HB ARG 106 -1.053 9.360 -8.353 794 2HB ARG 106 2HB ARG 106 0.645 9.655 -8.036 795 1HG ARG 106 1HG ARG 106 -0.587 11.170 -10.238 796 2HG ARG 106 2HG ARG 106 -1.068 11.596 -8.608 797 1HD ARG 106 1HD ARG 106 1.765 11.277 -8.675 798 2HD ARG 106 2HD ARG 106 1.286 12.347 -9.978 799 HE ARG 106 HE ARG 106 -0.116 13.237 -7.745 800 1HH1 ARG 106 1HH2 ARG 106 3.239 12.897 -8.664 801 2HH1 ARG 106 2HH2 ARG 106 3.760 14.219 -7.645 802 1HH2 ARG 106 1HH1 ARG 106 0.576 14.915 -6.441 803 2HH2 ARG 106 2HH1 ARG 106 2.270 15.349 -6.400 804 H ALA 107 H ALA 107 -1.059 6.973 -8.669 805 HA ALA 107 HA ALA 107 1.182 5.637 -7.484 806 1HB ALA 107 1HB ALA 107 -1.087 5.624 -6.515 807 2HB ALA 107 2HB ALA 107 -1.665 4.699 -7.944 808 3HB ALA 107 3HB ALA 107 -0.481 3.957 -6.813 809 H GLY 108 H GLY 108 -0.746 5.254 -10.409 810 1HA GLY 108 1HA GLY 108 -0.052 2.791 -11.350 811 2HA GLY 108 2HA GLY 108 -0.210 4.209 -12.367 812 H GLU 109 H GLU 109 1.999 5.690 -11.343 813 HA GLU 109 HA GLU 109 4.098 4.782 -12.900 814 1HB GLU 109 1HB GLU 109 3.849 6.699 -10.675 815 2HB GLU 109 2HB GLU 109 5.464 6.187 -11.118 816 1HG GLU 109 1HG GLU 109 4.630 6.707 -13.548 817 2HG GLU 109 2HG GLU 109 3.467 7.714 -12.712 818 H ILE 110 H ILE 110 3.680 4.370 -9.391 819 HA ILE 110 HA ILE 110 6.051 2.751 -9.141 820 HB ILE 110 HB ILE 110 3.835 2.883 -7.144 821 1HG1 ILE 110 1HG1 ILE 110 4.002 5.156 -7.434 822 2HG1 ILE 110 2HG1 ILE 110 5.243 4.886 -6.227 823 1HG2 ILE 110 1HG2 ILE 110 5.664 1.356 -6.674 824 2HG2 ILE 110 2HG2 ILE 110 6.840 2.698 -6.893 825 3HG2 ILE 110 3HG2 ILE 110 5.674 2.738 -5.525 826 1HD1 ILE 110 1HD1 ILE 110 6.978 4.838 -7.989 827 2HD1 ILE 110 2HD1 ILE 110 5.705 5.117 -9.227 828 3HD1 ILE 110 3HD1 ILE 110 6.064 6.387 -8.007 829 H VAL 111 H VAL 111 2.637 2.256 -9.665 830 HA VAL 111 HA VAL 111 2.468 -0.476 -9.126 831 HB VAL 111 HB VAL 111 1.030 1.199 -11.124 832 1HG1 VAL 111 1HG1 VAL 111 0.859 -1.127 -11.791 833 2HG1 VAL 111 2HG1 VAL 111 0.343 -1.568 -10.126 834 3HG1 VAL 111 3HG1 VAL 111 -0.711 -0.530 -11.148 835 1HG2 VAL 111 1HG2 VAL 111 0.276 0.338 -8.319 836 2HG2 VAL 111 2HG2 VAL 111 0.745 1.993 -8.841 837 3HG2 VAL 111 3HG2 VAL 111 -0.779 1.256 -9.449 838 H SER 112 H SER 112 3.037 1.114 -12.275 839 HA SER 112 HA SER 112 3.623 -1.199 -13.720 840 1HB SER 112 1HB SER 112 4.402 0.198 -15.385 841 2HB SER 112 2HB SER 112 3.338 1.257 -14.482 842 HG SER 112 HG SER 112 5.345 2.239 -14.969 843 H SER 113 H SER 113 5.504 0.474 -11.326 844 HA SER 113 HA SER 113 8.022 -0.678 -12.099 845 1HB SER 113 1HB SER 113 7.042 1.210 -10.179 846 2HB SER 113 2HB SER 113 8.159 0.081 -9.441 847 HG SER 113 HG SER 113 9.229 1.841 -10.445 848 H CYS 114 H CYS 114 6.421 -1.022 -8.935 849 HA CYS 114 HA CYS 114 6.437 -3.927 -9.183 850 1HB CYS 114 1HB CYS 114 8.686 -3.095 -8.336 851 2HB CYS 114 2HB CYS 114 7.822 -2.687 -6.868 852 H GLY 115 H GLY 115 4.340 -2.058 -9.153 853 1HA GLY 115 1HA GLY 115 3.055 -2.725 -6.568 854 2HA GLY 115 2HA GLY 115 2.958 -1.103 -7.224 855 H VAL 116 H VAL 116 3.008 -3.854 -9.349 856 HA VAL 116 HA VAL 116 0.497 -3.156 -10.500 857 HB VAL 116 HB VAL 116 2.129 -3.944 -11.944 858 1HG1 VAL 116 1HG1 VAL 116 3.541 -5.147 -10.375 859 2HG1 VAL 116 2HG1 VAL 116 2.306 -6.447 -10.255 860 3HG1 VAL 116 3HG1 VAL 116 3.169 -6.169 -11.807 861 1HG2 VAL 116 1HG2 VAL 116 0.047 -6.103 -11.570 862 2HG2 VAL 116 2HG2 VAL 116 -0.131 -4.595 -12.532 863 3HG2 VAL 116 3HG2 VAL 116 1.042 -5.856 -13.047 864 H ARG 117 H ARG 117 -1.404 -3.517 -9.554 865 HA ARG 117 HA ARG 117 -1.934 -6.206 -8.501 866 1HB ARG 117 1HB ARG 117 -2.765 -3.982 -6.742 867 2HB ARG 117 2HB ARG 117 -2.395 -5.648 -6.342 868 1HG ARG 117 1HG ARG 117 -0.292 -3.705 -7.183 869 2HG ARG 117 2HG ARG 117 -0.792 -3.877 -5.513 870 1HD ARG 117 1HD ARG 117 0.269 -5.834 -5.262 871 2HD ARG 117 2HD ARG 117 -0.155 -6.386 -6.869 872 HE ARG 117 HE ARG 117 1.917 -4.313 -6.716 873 1HH1 ARG 117 1HH2 ARG 117 1.278 -7.752 -6.850 874 2HH1 ARG 117 2HH2 ARG 117 2.850 -8.121 -7.523 875 1HH2 ARG 117 1HH1 ARG 117 3.891 -4.802 -7.632 876 2HH2 ARG 117 2HH1 ARG 117 4.317 -6.466 -7.962 877 H CYS 118 H CYS 118 -3.533 -3.060 -8.081 878 HA CYS 118 HA CYS 118 -5.738 -4.066 -9.766 879 1HB CYS 118 1HB CYS 118 -5.765 -3.163 -7.055 880 2HB CYS 118 2HB CYS 118 -6.755 -2.115 -8.053 881 H MET 119 H MET 119 -3.210 -1.972 -9.543 882 HA MET 119 HA MET 119 -4.560 0.212 -10.964 883 1HB MET 119 1HB MET 119 -2.688 0.194 -9.005 884 2HB MET 119 2HB MET 119 -1.717 0.445 -10.442 885 1HG MET 119 1HG MET 119 -2.373 2.568 -10.570 886 2HG MET 119 2HG MET 119 -4.058 2.088 -10.554 887 1HE MET 119 1HE MET 119 -5.331 3.615 -9.102 888 2HE MET 119 2HE MET 119 -5.581 1.935 -8.514 889 3HE MET 119 3HE MET 119 -5.349 3.273 -7.337 890 H ARG 120 H ARG 120 -3.551 -2.628 -11.902 891 HA ARG 120 HA ARG 120 -2.896 -1.735 -14.575 892 1HB ARG 120 1HB ARG 120 -0.677 -1.615 -13.757 893 2HB ARG 120 2HB ARG 120 -0.862 -3.087 -12.823 894 1HG ARG 120 1HG ARG 120 -0.466 -4.428 -14.613 895 2HG ARG 120 2HG ARG 120 -1.322 -3.372 -15.718 896 1HD ARG 120 1HD ARG 120 0.773 -1.810 -15.266 897 2HD ARG 120 2HD ARG 120 1.534 -3.349 -14.914 898 HE ARG 120 HE ARG 120 0.628 -2.382 -17.520 899 1HH1 ARG 120 1HH2 ARG 120 1.589 -5.179 -15.646 900 2HH1 ARG 120 2HH2 ARG 120 1.969 -6.125 -17.068 901 1HH2 ARG 120 1HH1 ARG 120 1.116 -3.621 -19.314 902 2HH2 ARG 120 2HH1 ARG 120 1.705 -5.256 -19.115 903 H GLN 121 H GLN 121 -3.081 -4.385 -12.250 904 HA GLN 121 HA GLN 121 -4.489 -5.961 -14.306 905 1HB GLN 121 1HB GLN 121 -1.942 -6.553 -13.547 906 2HB GLN 121 2HB GLN 121 -2.887 -7.554 -12.461 907 1HG GLN 121 1HG GLN 121 -3.251 -9.005 -14.129 908 2HG GLN 121 2HG GLN 121 -4.063 -7.748 -15.038 909 1HE2 GLN 121 2HE2 GLN 121 -3.053 -6.744 -16.734 910 2HE2 GLN 121 1HE2 GLN 121 -1.462 -7.189 -17.309 911 H THR 122 H THR 122 -4.991 -8.192 -12.775 912 HA THR 122 HA THR 122 -7.015 -7.133 -10.946 913 HB THR 122 HB THR 122 -7.949 -9.385 -11.126 914 HG1 THR 122 1HG THR 122 -6.730 -10.890 -12.364 915 1HG2 THR 122 1HG2 THR 122 -8.366 -7.845 -13.070 916 2HG2 THR 122 2HG2 THR 122 -6.871 -8.486 -13.837 917 3HG2 THR 122 3HG2 THR 122 -8.279 -9.571 -13.565 918 H ARG 123 H ARG 123 -7.360 -9.182 -9.170 919 HA ARG 123 HA ARG 123 -5.515 -8.604 -7.162 920 1HB ARG 123 1HB ARG 123 -7.891 -9.882 -7.259 921 2HB ARG 123 2HB ARG 123 -6.805 -11.229 -6.986 922 1HG ARG 123 1HG ARG 123 -6.628 -10.659 -4.826 923 2HG ARG 123 2HG ARG 123 -6.011 -9.085 -5.282 924 1HD ARG 123 1HD ARG 123 -8.180 -8.136 -5.344 925 2HD ARG 123 2HD ARG 123 -8.952 -9.709 -5.327 926 HE ARG 123 HE ARG 123 -7.362 -9.006 -2.981 927 1HH1 ARG 123 1HH2 ARG 123 -10.530 -8.958 -4.376 928 2HH1 ARG 123 2HH2 ARG 123 -11.338 -9.013 -2.826 929 1HH2 ARG 123 1HH1 ARG 123 -8.385 -9.186 -0.994 930 2HH2 ARG 123 2HH1 ARG 123 -10.132 -9.142 -0.919 931 H THR 124 H THR 124 -3.380 -8.833 -7.933 932 HA THR 124 HA THR 124 -1.869 -10.983 -7.551 933 HB THR 124 HB THR 124 -2.930 -12.624 -8.751 934 HG1 THR 124 1HG THR 124 -1.720 -12.882 -10.649 935 1HG2 THR 124 1HG2 THR 124 -4.634 -11.162 -9.885 936 2HG2 THR 124 2HG2 THR 124 -3.360 -10.649 -11.046 937 3HG2 THR 124 3HG2 THR 124 -3.907 -12.361 -11.011 938 H ASN 125 H ASN 125 0.228 -10.955 -8.384 939 HA ASN 125 HA ASN 125 1.148 -8.434 -9.288 940 1HB ASN 125 1HB ASN 125 3.289 -9.452 -9.406 941 2HB ASN 125 2HB ASN 125 2.453 -10.201 -8.062 942 1HD2 ASN 125 2HD2 ASN 125 2.090 -12.320 -8.037 943 2HD2 ASN 125 1HD2 ASN 125 2.542 -13.423 -9.317 Start of MODEL 4 1 1H ALA 1 1H ALA 1 -48.270 -5.043 -20.728 2 2H ALA 1 2H ALA 1 -48.344 -4.589 -22.319 3 3H ALA 1 3H ALA 1 -49.737 -4.745 -21.437 4 HA ALA 1 HA ALA 1 -49.346 -7.080 -21.183 5 1HB ALA 1 1HB ALA 1 -50.803 -6.307 -23.002 6 2HB ALA 1 2HB ALA 1 -49.365 -6.103 -24.061 7 3HB ALA 1 3HB ALA 1 -49.852 -7.745 -23.513 8 H GLU 2 H GLU 2 -46.999 -6.643 -20.289 9 HA GLU 2 HA GLU 2 -45.295 -8.426 -21.849 10 1HB GLU 2 1HB GLU 2 -44.983 -5.751 -22.379 11 2HB GLU 2 2HB GLU 2 -43.795 -6.021 -21.120 12 1HG GLU 2 1HG GLU 2 -42.819 -7.857 -22.389 13 2HG GLU 2 2HG GLU 2 -44.054 -7.693 -23.621 14 H PHE 3 H PHE 3 -43.201 -8.827 -20.637 15 HA PHE 3 HA PHE 3 -43.199 -8.285 -17.790 16 1HB PHE 3 1HB PHE 3 -44.666 -10.505 -18.736 17 2HB PHE 3 2HB PHE 3 -43.193 -11.138 -18.029 18 HD1 PHE 3 1HD PHE 3 -42.718 -10.934 -15.660 19 HD2 PHE 3 2HD PHE 3 -46.327 -9.329 -17.395 20 HE1 PHE 3 1HE PHE 3 -43.728 -10.732 -13.384 21 HE2 PHE 3 2HE PHE 3 -47.325 -9.093 -15.118 22 HZ PHE 3 HZ PHE 3 -46.021 -9.806 -13.121 23 H MET 4 H MET 4 -41.097 -7.800 -17.589 24 HA MET 4 HA MET 4 -39.139 -9.834 -18.452 25 1HB MET 4 1HB MET 4 -39.534 -7.488 -19.867 26 2HB MET 4 2HB MET 4 -38.162 -7.124 -18.840 27 1HG MET 4 1HG MET 4 -36.808 -8.607 -19.887 28 2HG MET 4 2HG MET 4 -38.111 -9.736 -20.197 29 1HE MET 4 1HE MET 4 -37.693 -10.465 -22.545 30 2HE MET 4 2HE MET 4 -39.409 -9.985 -22.306 31 3HE MET 4 3HE MET 4 -38.547 -9.519 -23.814 32 H GLU 5 H GLU 5 -37.002 -9.453 -17.475 33 HA GLU 5 HA GLU 5 -37.168 -8.037 -14.880 34 1HB GLU 5 1HB GLU 5 -35.902 -9.803 -13.864 35 2HB GLU 5 2HB GLU 5 -37.316 -10.494 -14.632 36 1HG GLU 5 1HG GLU 5 -35.045 -10.445 -16.436 37 2HG GLU 5 2HG GLU 5 -34.682 -11.328 -14.967 38 H SER 6 H SER 6 -34.989 -7.594 -13.970 39 HA SER 6 HA SER 6 -32.594 -7.551 -15.336 40 1HB SER 6 1HB SER 6 -32.507 -5.131 -16.079 41 2HB SER 6 2HB SER 6 -33.385 -6.231 -17.123 42 HG SER 6 HG SER 6 -34.507 -4.262 -16.786 43 H LYS 7 H LYS 7 -31.073 -6.954 -13.931 44 HA LYS 7 HA LYS 7 -31.403 -4.741 -12.119 45 1HB LYS 7 1HB LYS 7 -32.311 -7.300 -11.240 46 2HB LYS 7 2HB LYS 7 -30.869 -6.889 -10.334 47 1HG LYS 7 1HG LYS 7 -31.868 -4.684 -9.801 48 2HG LYS 7 2HG LYS 7 -33.327 -5.163 -10.644 49 1HD LYS 7 1HD LYS 7 -33.042 -7.251 -8.951 50 2HD LYS 7 2HD LYS 7 -32.338 -5.970 -7.987 51 1HE LYS 7 1HE LYS 7 -34.480 -4.642 -8.707 52 2HE LYS 7 2HE LYS 7 -35.133 -6.241 -9.008 53 1HZ LYS 7 1HZ LYS 7 -34.615 -6.823 -6.752 54 2HZ LYS 7 2HZ LYS 7 -33.998 -5.313 -6.468 55 3HZ LYS 7 3HZ LYS 7 -35.611 -5.500 -6.792 56 H GLY 8 H GLY 8 -29.461 -4.781 -10.494 57 1HA GLY 8 1HA GLY 8 -27.103 -6.184 -11.022 58 2HA GLY 8 2HA GLY 8 -27.099 -4.805 -12.102 59 H GLU 9 H GLU 9 -26.845 -5.903 -8.823 60 HA GLU 9 HA GLU 9 -25.790 -3.254 -8.070 61 1HB GLU 9 1HB GLU 9 -28.261 -3.558 -7.393 62 2HB GLU 9 2HB GLU 9 -27.641 -4.689 -6.207 63 1HG GLU 9 1HG GLU 9 -27.320 -2.910 -4.863 64 2HG GLU 9 2HG GLU 9 -25.995 -2.471 -5.923 65 H ARG 10 H ARG 10 -24.128 -3.332 -6.606 66 HA ARG 10 HA ARG 10 -23.566 -5.739 -5.072 67 1HB ARG 10 1HB ARG 10 -22.616 -5.940 -7.509 68 2HB ARG 10 2HB ARG 10 -21.393 -4.836 -6.913 69 1HG ARG 10 1HG ARG 10 -20.348 -6.488 -5.822 70 2HG ARG 10 2HG ARG 10 -21.830 -6.954 -5.013 71 1HD ARG 10 1HD ARG 10 -21.823 -7.768 -7.792 72 2HD ARG 10 2HD ARG 10 -20.459 -8.433 -6.916 73 HE ARG 10 HE ARG 10 -22.782 -8.793 -5.349 74 1HH1 ARG 10 1HH2 ARG 10 -21.428 -10.018 -8.338 75 2HH1 ARG 10 2HH2 ARG 10 -22.246 -11.556 -8.183 76 1HH2 ARG 10 1HH1 ARG 10 -23.791 -10.784 -5.205 77 2HH2 ARG 10 2HH1 ARG 10 -23.546 -11.976 -6.461 78 H GLU 11 H GLU 11 -21.648 -5.438 -3.695 79 HA GLU 11 HA GLU 11 -20.756 -2.649 -3.430 80 1HB GLU 11 1HB GLU 11 -22.697 -3.780 -1.757 81 2HB GLU 11 2HB GLU 11 -21.212 -3.784 -0.826 82 1HG GLU 11 1HG GLU 11 -21.755 -1.640 -0.354 83 2HG GLU 11 2HG GLU 11 -21.126 -1.305 -1.955 84 H GLY 12 H GLY 12 -18.777 -2.412 -2.267 85 1HA GLY 12 1HA GLY 12 -16.743 -4.200 -2.789 86 2HA GLY 12 2HA GLY 12 -16.716 -3.039 -1.477 87 H SER 13 H SER 13 -15.534 -5.710 -1.597 88 HA SER 13 HA SER 13 -16.503 -6.743 0.926 89 1HB SER 13 1HB SER 13 -17.681 -7.810 -1.445 90 2HB SER 13 2HB SER 13 -16.640 -9.036 -0.750 91 HG SER 13 HG SER 13 -18.755 -9.062 0.163 92 H SER 14 H SER 14 -14.304 -5.969 1.210 93 HA SER 14 HA SER 14 -12.126 -7.278 -0.007 94 1HB SER 14 1HB SER 14 -10.831 -6.591 1.966 95 2HB SER 14 2HB SER 14 -11.724 -5.303 1.183 96 HG SER 14 HG SER 14 -11.845 -5.196 3.458 97 H SER 15 H SER 15 -10.525 -8.690 1.202 98 HA SER 15 HA SER 15 -11.589 -11.236 1.732 99 1HB SER 15 1HB SER 15 -9.049 -10.090 1.575 100 2HB SER 15 2HB SER 15 -9.132 -10.778 3.184 101 HG SER 15 HG SER 15 -8.445 -12.304 1.615 102 H GLN 16 H GLN 16 -10.758 -12.335 4.023 103 HA GLN 16 HA GLN 16 -12.710 -11.922 5.868 104 1HB GLN 16 1HB GLN 16 -10.722 -13.608 5.771 105 2HB GLN 16 2HB GLN 16 -9.956 -12.481 6.872 106 1HG GLN 16 1HG GLN 16 -11.048 -13.680 8.456 107 2HG GLN 16 2HG GLN 16 -12.401 -12.663 8.003 108 1HE2 GLN 16 2HE2 GLN 16 -14.019 -14.158 8.498 109 2HE2 GLN 16 1HE2 GLN 16 -14.233 -15.640 7.596 110 H GLN 17 H GLN 17 -9.482 -10.531 6.329 111 HA GLN 17 HA GLN 17 -10.471 -7.977 7.198 112 1HB GLN 17 1HB GLN 17 -9.207 -8.319 9.481 113 2HB GLN 17 2HB GLN 17 -10.900 -8.731 9.304 114 1HG GLN 17 1HG GLN 17 -10.502 -10.992 9.354 115 2HG GLN 17 2HG GLN 17 -8.873 -10.827 8.728 116 1HE2 GLN 17 2HE2 GLN 17 -9.918 -12.346 11.031 117 2HE2 GLN 17 1HE2 GLN 17 -8.972 -11.795 12.395 118 H CYS 18 H CYS 18 -8.817 -8.967 5.129 119 HA CYS 18 HA CYS 18 -6.073 -8.470 5.850 120 1HB CYS 18 1HB CYS 18 -7.474 -9.320 3.563 121 2HB CYS 18 2HB CYS 18 -6.556 -7.899 3.111 122 H ARG 19 H ARG 19 -8.719 -6.479 4.445 123 HA ARG 19 HA ARG 19 -7.456 -4.136 3.858 124 1HB ARG 19 1HB ARG 19 -10.027 -4.878 4.122 125 2HB ARG 19 2HB ARG 19 -9.882 -3.772 5.473 126 1HG ARG 19 1HG ARG 19 -9.422 -1.963 4.118 127 2HG ARG 19 2HG ARG 19 -8.788 -2.961 2.826 128 1HD ARG 19 1HD ARG 19 -11.152 -3.806 2.499 129 2HD ARG 19 2HD ARG 19 -11.663 -2.518 3.572 130 HE ARG 19 HE ARG 19 -11.534 -1.067 1.824 131 1HH1 ARG 19 1HH2 ARG 19 -9.419 -3.745 1.086 132 2HH1 ARG 19 2HH2 ARG 19 -8.998 -3.105 -0.486 133 1HH2 ARG 19 1HH1 ARG 19 -10.947 -0.289 -0.200 134 2HH2 ARG 19 2HH1 ARG 19 -9.837 -1.209 -1.191 135 H GLN 20 H GLN 20 -7.969 -5.337 7.077 136 HA GLN 20 HA GLN 20 -7.239 -3.038 8.556 137 1HB GLN 20 1HB GLN 20 -8.382 -5.008 9.509 138 2HB GLN 20 2HB GLN 20 -6.927 -5.952 9.258 139 1HG GLN 20 1HG GLN 20 -5.909 -3.816 10.594 140 2HG GLN 20 2HG GLN 20 -7.511 -3.900 11.301 141 1HE2 GLN 20 2HE2 GLN 20 -4.763 -6.056 10.452 142 2HE2 GLN 20 1HE2 GLN 20 -4.895 -7.039 11.893 143 H GLU 21 H GLU 21 -5.222 -6.016 8.409 144 HA GLU 21 HA GLU 21 -2.841 -4.610 8.935 145 1HB GLU 21 1HB GLU 21 -1.709 -6.655 7.964 146 2HB GLU 21 2HB GLU 21 -2.771 -6.902 9.336 147 1HG GLU 21 1HG GLU 21 -4.437 -7.888 8.031 148 2HG GLU 21 2HG GLU 21 -3.873 -7.124 6.559 149 H VAL 22 H VAL 22 -4.472 -5.083 5.884 150 HA VAL 22 HA VAL 22 -2.389 -4.575 4.075 151 HB VAL 22 HB VAL 22 -5.320 -4.059 4.011 152 1HG1 VAL 22 1HG1 VAL 22 -4.400 -2.432 2.473 153 2HG1 VAL 22 2HG1 VAL 22 -3.453 -3.728 1.663 154 3HG1 VAL 22 3HG1 VAL 22 -5.249 -3.745 1.587 155 1HG2 VAL 22 1HG2 VAL 22 -3.642 -6.164 2.630 156 2HG2 VAL 22 2HG2 VAL 22 -4.747 -6.413 4.026 157 3HG2 VAL 22 3HG2 VAL 22 -5.414 -5.942 2.425 158 H GLN 23 H GLN 23 -4.460 -2.345 5.928 159 HA GLN 23 HA GLN 23 -3.421 0.011 4.765 160 1HB GLN 23 1HB GLN 23 -4.584 1.093 6.330 161 2HB GLN 23 2HB GLN 23 -5.358 -0.477 6.389 162 1HG GLN 23 1HG GLN 23 -5.213 -0.009 8.574 163 2HG GLN 23 2HG GLN 23 -3.713 -0.883 8.340 164 1HE2 GLN 23 2HE2 GLN 23 -2.962 0.064 10.278 165 2HE2 GLN 23 1HE2 GLN 23 -2.370 1.710 10.288 166 H ARG 24 H ARG 24 -1.711 -2.251 6.485 167 HA ARG 24 HA ARG 24 0.543 -0.469 6.988 168 1HB ARG 24 1HB ARG 24 0.778 -1.406 9.306 169 2HB ARG 24 2HB ARG 24 -0.536 -0.273 9.066 170 1HG ARG 24 1HG ARG 24 -2.146 -2.068 8.984 171 2HG ARG 24 2HG ARG 24 -0.870 -3.270 9.014 172 1HD ARG 24 1HD ARG 24 -0.270 -1.941 11.254 173 2HD ARG 24 2HD ARG 24 -1.998 -1.658 11.208 174 HE ARG 24 HE ARG 24 -1.929 -4.308 10.793 175 1HH1 ARG 24 1HH2 ARG 24 -0.316 -2.360 13.203 176 2HH1 ARG 24 2HH2 ARG 24 -0.216 -3.682 14.345 177 1HH2 ARG 24 1HH1 ARG 24 -1.742 -5.976 12.264 178 2HH2 ARG 24 2HH1 ARG 24 -1.006 -5.683 13.825 179 H LYS 25 H LYS 25 -0.088 -2.684 5.114 180 HA LYS 25 HA LYS 25 2.206 -4.389 5.727 181 1HB LYS 25 1HB LYS 25 0.471 -5.668 6.786 182 2HB LYS 25 2HB LYS 25 -0.532 -5.564 5.353 183 1HG LYS 25 1HG LYS 25 0.579 -7.224 4.315 184 2HG LYS 25 2HG LYS 25 2.140 -6.618 4.831 185 1HD LYS 25 1HD LYS 25 0.310 -8.019 6.736 186 2HD LYS 25 2HD LYS 25 1.398 -8.912 5.694 187 1HE LYS 25 1HE LYS 25 3.208 -7.310 6.642 188 2HE LYS 25 2HE LYS 25 2.048 -7.042 7.927 189 1HZ LYS 25 1HZ LYS 25 1.999 -9.395 8.308 190 2HZ LYS 25 2HZ LYS 25 3.096 -9.648 7.093 191 3HZ LYS 25 3HZ LYS 25 3.544 -8.819 8.454 192 H ASP 26 H ASP 26 -0.521 -4.691 3.541 193 HA ASP 26 HA ASP 26 1.020 -5.197 1.241 194 1HB ASP 26 1HB ASP 26 -1.746 -4.054 1.324 195 2HB ASP 26 2HB ASP 26 -1.014 -4.984 0.032 196 H LEU 27 H LEU 27 -0.118 -3.470 -0.728 197 HA LEU 27 HA LEU 27 1.578 -1.409 -1.016 198 1HB LEU 27 1HB LEU 27 -1.352 -1.479 -1.569 199 2HB LEU 27 2HB LEU 27 -0.341 -0.134 -2.062 200 HG LEU 27 HG LEU 27 -0.442 -1.395 -3.939 201 1HD1 LEU 27 1HD1 LEU 27 1.839 -0.916 -3.451 202 2HD1 LEU 27 2HD1 LEU 27 1.968 -2.450 -2.523 203 3HD1 LEU 27 3HD1 LEU 27 1.677 -2.494 -4.297 204 1HD2 LEU 27 1HD2 LEU 27 -0.106 -3.914 -2.329 205 2HD2 LEU 27 2HD2 LEU 27 -1.619 -3.326 -3.101 206 3HD2 LEU 27 3HD2 LEU 27 -0.220 -3.813 -4.120 207 H SER 28 H SER 28 2.390 -0.217 0.609 208 HA SER 28 HA SER 28 0.685 1.571 2.162 209 1HB SER 28 1HB SER 28 0.477 -0.238 3.662 210 2HB SER 28 2HB SER 28 2.155 -0.700 3.466 211 HG SER 28 HG SER 28 1.774 0.395 5.439 212 H SER 29 H SER 29 2.510 1.841 0.081 213 HA SER 29 HA SER 29 4.202 3.869 1.132 214 1HB SER 29 1HB SER 29 5.344 1.374 1.451 215 2HB SER 29 2HB SER 29 6.030 1.960 -0.052 216 HG SER 29 HG SER 29 7.225 2.651 1.785 217 H CYS 30 H CYS 30 3.543 1.522 -1.466 218 HA CYS 30 HA CYS 30 4.791 2.918 -3.565 219 1HB CYS 30 1HB CYS 30 2.215 1.383 -3.663 220 2HB CYS 30 2HB CYS 30 3.304 1.688 -5.001 221 H GLU 31 H GLU 31 1.339 3.083 -2.540 222 HA GLU 31 HA GLU 31 0.854 5.398 -4.175 223 1HB GLU 31 1HB GLU 31 -0.672 3.667 -2.651 224 2HB GLU 31 2HB GLU 31 -0.823 5.209 -1.832 225 1HG GLU 31 1HG GLU 31 -2.478 5.558 -3.314 226 2HG GLU 31 2HG GLU 31 -1.165 5.970 -4.400 227 H ARG 32 H ARG 32 1.746 4.916 -0.750 228 HA ARG 32 HA ARG 32 1.512 7.588 0.081 229 1HB ARG 32 1HB ARG 32 2.071 5.512 1.462 230 2HB ARG 32 2HB ARG 32 3.735 5.833 1.017 231 1HG ARG 32 1HG ARG 32 3.481 6.937 3.076 232 2HG ARG 32 2HG ARG 32 3.307 8.215 1.891 233 1HD ARG 32 1HD ARG 32 1.559 8.490 3.499 234 2HD ARG 32 2HD ARG 32 0.827 7.889 2.025 235 HE ARG 32 HE ARG 32 1.326 5.598 3.389 236 1HH1 ARG 32 1HH2 ARG 32 -0.354 8.506 4.306 237 2HH1 ARG 32 2HH2 ARG 32 -1.378 7.675 5.455 238 1HH2 ARG 32 1HH1 ARG 32 0.016 4.564 4.882 239 2HH2 ARG 32 2HH1 ARG 32 -1.173 5.486 5.774 240 H TYR 33 H TYR 33 4.156 6.048 -1.668 241 HA TYR 33 HA TYR 33 6.183 7.915 -1.490 242 1HB TYR 33 1HB TYR 33 6.378 5.748 -2.547 243 2HB TYR 33 2HB TYR 33 5.256 6.234 -3.801 244 HD1 TYR 33 1HD TYR 33 6.132 6.804 -5.849 245 HD2 TYR 33 2HD TYR 33 8.425 7.487 -2.279 246 HE1 TYR 33 1HE TYR 33 8.068 7.529 -7.255 247 HE2 TYR 33 2HE TYR 33 10.237 8.458 -3.668 248 HH TYR 33 HH TYR 33 11.081 8.677 -5.630 249 H LEU 34 H LEU 34 3.455 7.807 -3.793 250 HA LEU 34 HA LEU 34 4.209 10.294 -5.035 251 1HB LEU 34 1HB LEU 34 2.544 9.863 -6.493 252 2HB LEU 34 2HB LEU 34 2.797 8.248 -5.861 253 HG LEU 34 HG LEU 34 0.912 9.018 -4.177 254 1HD1 LEU 34 1HD1 LEU 34 0.620 11.280 -4.997 255 2HD1 LEU 34 2HD1 LEU 34 0.236 10.643 -6.635 256 3HD1 LEU 34 3HD1 LEU 34 -0.873 10.313 -5.259 257 1HD2 LEU 34 1HD2 LEU 34 0.448 7.979 -6.961 258 2HD2 LEU 34 2HD2 LEU 34 0.876 7.025 -5.499 259 3HD2 LEU 34 3HD2 LEU 34 -0.715 7.854 -5.596 260 H ARG 35 H ARG 35 2.189 9.371 -2.344 261 HA ARG 35 HA ARG 35 0.769 11.828 -2.049 262 1HB ARG 35 1HB ARG 35 0.524 9.399 -0.911 263 2HB ARG 35 2HB ARG 35 1.328 10.269 0.381 264 1HG ARG 35 1HG ARG 35 -0.464 12.118 -0.181 265 2HG ARG 35 2HG ARG 35 -1.348 10.760 -0.846 266 1HD ARG 35 1HD ARG 35 -1.631 9.757 1.218 267 2HD ARG 35 2HD ARG 35 -0.187 10.488 1.889 268 HE ARG 35 HE ARG 35 -2.869 11.565 1.944 269 1HH1 ARG 35 1HH2 ARG 35 0.529 12.423 1.993 270 2HH1 ARG 35 2HH2 ARG 35 0.224 13.983 2.724 271 1HH2 ARG 35 1HH1 ARG 35 -3.204 13.583 2.844 272 2HH2 ARG 35 2HH1 ARG 35 -1.842 14.623 3.194 273 H GLN 36 H GLN 36 3.631 10.532 -0.478 274 HA GLN 36 HA GLN 36 4.210 12.950 0.986 275 1HB GLN 36 1HB GLN 36 4.899 10.197 1.198 276 2HB GLN 36 2HB GLN 36 6.388 11.106 1.040 277 1HG GLN 36 1HG GLN 36 5.821 12.514 2.894 278 2HG GLN 36 2HG GLN 36 4.185 11.889 2.943 279 1HE2 GLN 36 2HE2 GLN 36 6.890 11.861 4.675 280 2HE2 GLN 36 1HE2 GLN 36 6.841 10.242 5.335 281 H SER 37 H SER 37 6.824 13.311 0.894 282 HA SER 37 HA SER 37 7.236 14.447 -1.769 283 1HB SER 37 1HB SER 37 7.840 15.308 0.710 284 2HB SER 37 2HB SER 37 9.369 14.579 0.257 285 HG SER 37 HG SER 37 9.214 16.772 -0.407 286 H SER 38 H SER 38 8.875 12.128 0.364 287 HA SER 38 HA SER 38 9.733 10.482 -1.820 288 1HB SER 38 1HB SER 38 12.113 10.750 -1.605 289 2HB SER 38 2HB SER 38 11.391 12.297 -2.004 290 HG SER 38 HG SER 38 13.023 12.472 -0.423 291 H SER 39 H SER 39 8.692 8.810 -0.740 292 HA SER 39 HA SER 39 8.724 7.991 1.836 293 1HB SER 39 1HB SER 39 9.012 6.489 -0.691 294 2HB SER 39 2HB SER 39 9.269 5.615 0.805 295 HG SER 39 HG SER 39 7.061 5.614 0.159 296 H ARG 40 H ARG 40 9.991 6.560 3.224 297 HA ARG 40 HA ARG 40 12.748 6.040 2.588 298 1HB ARG 40 1HB ARG 40 12.582 8.633 3.082 299 2HB ARG 40 2HB ARG 40 12.546 8.101 4.751 300 1HG ARG 40 1HG ARG 40 14.685 7.161 4.631 301 2HG ARG 40 2HG ARG 40 14.635 7.038 2.884 302 1HD ARG 40 1HD ARG 40 14.353 9.749 3.347 303 2HD ARG 40 2HD ARG 40 15.515 9.248 4.559 304 HE ARG 40 HE ARG 40 16.464 8.061 2.299 305 1HH1 ARG 40 1HH2 ARG 40 15.624 11.370 3.030 306 2HH1 ARG 40 2HH2 ARG 40 16.767 12.014 1.872 307 1HH2 ARG 40 1HH1 ARG 40 17.904 8.944 0.819 308 2HH2 ARG 40 2HH1 ARG 40 18.020 10.683 0.658 309 H ARG 41 H ARG 41 11.750 4.036 3.222 310 HA ARG 41 HA ARG 41 10.486 3.411 5.577 311 1HB ARG 41 1HB ARG 41 11.777 1.986 3.552 312 2HB ARG 41 2HB ARG 41 12.521 1.438 5.041 313 1HG ARG 41 1HG ARG 41 9.568 1.653 5.026 314 2HG ARG 41 2HG ARG 41 10.267 0.365 4.067 315 1HD ARG 41 1HD ARG 41 10.343 -0.840 5.931 316 2HD ARG 41 2HD ARG 41 11.619 0.231 6.475 317 HE ARG 41 HE ARG 41 9.389 1.604 7.190 318 1HH1 ARG 41 1HH2 ARG 41 10.317 -1.730 7.779 319 2HH1 ARG 41 2HH2 ARG 41 9.435 -1.799 9.288 320 1HH2 ARG 41 1HH1 ARG 41 8.304 1.449 9.123 321 2HH2 ARG 41 2HH1 ARG 41 8.327 -0.049 10.028 322 H SER 42 H SER 42 10.904 3.366 7.652 323 HA SER 42 HA SER 42 13.443 4.400 8.609 324 1HB SER 42 1HB SER 42 10.974 4.639 9.560 325 2HB SER 42 2HB SER 42 11.422 3.184 10.429 326 HG SER 42 HG SER 42 12.015 5.100 11.561 327 H THR 43 H THR 43 13.380 2.718 11.014 328 HA THR 43 HA THR 43 14.407 0.141 10.035 329 HB THR 43 HB THR 43 16.395 0.573 11.599 330 HG1 THR 43 1HG THR 43 16.900 2.802 11.799 331 1HG2 THR 43 1HG2 THR 43 16.637 0.528 9.139 332 2HG2 THR 43 2HG2 THR 43 16.155 2.259 9.084 333 3HG2 THR 43 3HG2 THR 43 17.689 1.778 9.889 334 H GLY 44 H GLY 44 12.716 -0.918 10.944 335 1HA GLY 44 1HA GLY 44 12.828 -1.167 13.875 336 2HA GLY 44 2HA GLY 44 11.285 -0.768 13.147 337 H GLU 45 H GLU 45 13.212 -2.748 11.148 338 HA GLU 45 HA GLU 45 12.094 -5.260 12.193 339 1HB GLU 45 1HB GLU 45 11.118 -3.841 9.853 340 2HB GLU 45 2HB GLU 45 11.650 -5.464 9.465 341 1HG GLU 45 1HG GLU 45 9.433 -5.796 10.035 342 2HG GLU 45 2HG GLU 45 10.263 -6.152 11.536 343 H GLU 46 H GLU 46 13.417 -4.578 8.995 344 HA GLU 46 HA GLU 46 15.990 -5.822 9.687 345 1HB GLU 46 1HB GLU 46 14.239 -7.539 8.846 346 2HB GLU 46 2HB GLU 46 14.554 -6.831 7.275 347 1HG GLU 46 1HG GLU 46 16.819 -7.456 7.313 348 2HG GLU 46 2HG GLU 46 16.819 -7.684 9.049 349 H VAL 47 H VAL 47 15.017 -3.137 9.027 350 HA VAL 47 HA VAL 47 16.186 -2.644 6.382 351 HB VAL 47 HB VAL 47 14.947 -0.708 8.287 352 1HG1 VAL 47 1HG1 VAL 47 16.403 0.409 6.654 353 2HG1 VAL 47 2HG1 VAL 47 15.556 -0.450 5.322 354 3HG1 VAL 47 3HG1 VAL 47 14.672 0.758 6.319 355 1HG2 VAL 47 1HG2 VAL 47 13.707 -2.141 5.904 356 2HG2 VAL 47 2HG2 VAL 47 13.301 -2.421 7.634 357 3HG2 VAL 47 3HG2 VAL 47 12.920 -0.841 6.864 358 H LEU 48 H LEU 48 17.659 -3.525 8.917 359 HA LEU 48 HA LEU 48 19.632 -1.339 9.038 360 1HB LEU 48 1HB LEU 48 20.396 -2.303 11.062 361 2HB LEU 48 2HB LEU 48 18.649 -2.208 11.128 362 HG LEU 48 HG LEU 48 19.081 -4.725 10.107 363 1HD1 LEU 48 1HD1 LEU 48 21.500 -4.657 10.570 364 2HD1 LEU 48 2HD1 LEU 48 21.150 -4.271 12.292 365 3HD1 LEU 48 3HD1 LEU 48 20.675 -5.867 11.613 366 1HD2 LEU 48 1HD2 LEU 48 18.687 -3.911 13.001 367 2HD2 LEU 48 2HD2 LEU 48 17.397 -4.116 11.766 368 3HD2 LEU 48 3HD2 LEU 48 18.347 -5.539 12.319 369 H ARG 49 H ARG 49 19.365 -2.935 6.655 370 HA ARG 49 HA ARG 49 20.992 -5.077 6.246 371 1HB ARG 49 1HB ARG 49 19.745 -3.472 4.586 372 2HB ARG 49 2HB ARG 49 21.327 -2.738 4.424 373 1HG ARG 49 1HG ARG 49 22.145 -5.191 4.081 374 2HG ARG 49 2HG ARG 49 20.464 -5.519 3.719 375 1HD ARG 49 1HD ARG 49 20.551 -4.471 1.719 376 2HD ARG 49 2HD ARG 49 21.645 -3.231 2.298 377 HE ARG 49 HE ARG 49 23.402 -4.432 1.442 378 1HH1 ARG 49 1HH2 ARG 49 20.709 -6.621 1.908 379 2HH1 ARG 49 2HH2 ARG 49 21.561 -7.975 1.200 380 1HH2 ARG 49 1HH1 ARG 49 24.451 -6.199 0.556 381 2HH2 ARG 49 2HH1 ARG 49 23.631 -7.740 0.452 382 H MET 50 H MET 50 23.226 -5.476 5.856 383 HA MET 50 HA MET 50 25.173 -4.441 7.420 384 1HB MET 50 1HB MET 50 25.090 -5.841 4.938 385 2HB MET 50 2HB MET 50 26.410 -4.689 4.908 386 1HG MET 50 1HG MET 50 26.979 -5.630 7.229 387 2HG MET 50 2HG MET 50 25.960 -6.976 6.757 388 1HE MET 50 1HE MET 50 28.055 -8.555 7.138 389 2HE MET 50 2HE MET 50 26.904 -8.997 5.829 390 3HE MET 50 3HE MET 50 28.675 -9.151 5.559 391 HA PRO 51 HA PRO 51 26.278 -0.792 4.572 392 1HB PRO 51 1HB PRO 51 24.581 -0.170 2.492 393 2HB PRO 51 2HB PRO 51 26.079 -1.066 2.337 394 1HG PRO 51 1HG PRO 51 23.326 -2.044 2.176 395 2HG PRO 51 2HG PRO 51 24.805 -2.828 1.658 396 1HD PRO 51 1HD PRO 51 23.313 -3.317 4.024 397 2HD PRO 51 2HD PRO 51 24.813 -4.073 3.526 398 H GLY 52 H GLY 52 22.787 -1.319 4.920 399 1HA GLY 52 1HA GLY 52 21.247 -0.231 6.219 400 2HA GLY 52 2HA GLY 52 22.495 0.857 6.788 401 H ASP 53 H ASP 53 23.412 2.151 4.790 402 HA ASP 53 HA ASP 53 21.654 4.142 4.029 403 1HB ASP 53 1HB ASP 53 24.121 3.235 2.564 404 2HB ASP 53 2HB ASP 53 23.332 4.789 2.378 405 H GLU 54 H GLU 54 23.095 1.835 1.763 406 HA GLU 54 HA GLU 54 20.633 1.899 0.165 407 1HB GLU 54 1HB GLU 54 23.483 1.558 -0.427 408 2HB GLU 54 2HB GLU 54 22.390 0.565 -1.371 409 1HG GLU 54 1HG GLU 54 21.226 3.115 -1.329 410 2HG GLU 54 2HG GLU 54 22.936 3.391 -1.594 411 H ASN 55 H ASN 55 20.038 -0.111 -0.968 412 HA ASN 55 HA ASN 55 20.542 -2.512 0.657 413 1HB ASN 55 1HB ASN 55 18.259 -1.147 0.908 414 2HB ASN 55 2HB ASN 55 17.827 -2.215 -0.411 415 1HD2 ASN 55 2HD2 ASN 55 17.136 -4.248 0.082 416 2HD2 ASN 55 1HD2 ASN 55 17.339 -4.987 1.655 417 H GLN 56 H GLN 56 18.822 -4.182 -0.806 418 HA GLN 56 HA GLN 56 20.176 -5.324 -2.808 419 1HB GLN 56 1HB GLN 56 17.596 -5.523 -1.922 420 2HB GLN 56 2HB GLN 56 17.363 -4.970 -3.567 421 1HG GLN 56 1HG GLN 56 19.417 -6.935 -3.586 422 2HG GLN 56 2HG GLN 56 18.070 -7.578 -2.668 423 1HE2 GLN 56 2HE2 GLN 56 19.007 -6.174 -5.788 424 2HE2 GLN 56 1HE2 GLN 56 17.707 -6.904 -6.704 425 H GLN 57 H GLN 57 21.213 -4.616 -4.560 426 HA GLN 57 HA GLN 57 21.181 -2.040 -5.536 427 1HB GLN 57 1HB GLN 57 22.498 -4.311 -6.176 428 2HB GLN 57 2HB GLN 57 21.454 -4.161 -7.575 429 1HG GLN 57 1HG GLN 57 22.248 -1.727 -7.673 430 2HG GLN 57 2HG GLN 57 23.515 -2.230 -6.572 431 1HE2 GLN 57 2HE2 GLN 57 24.525 -1.242 -8.748 432 2HE2 GLN 57 1HE2 GLN 57 25.047 -2.472 -9.878 433 H GLN 58 H GLN 58 20.076 -0.868 -7.060 434 HA GLN 58 HA GLN 58 18.231 -1.778 -8.950 435 1HB GLN 58 1HB GLN 58 17.150 -1.963 -6.304 436 2HB GLN 58 2HB GLN 58 16.330 -0.662 -7.144 437 1HG GLN 58 1HG GLN 58 15.604 -2.083 -8.878 438 2HG GLN 58 2HG GLN 58 16.780 -3.319 -8.475 439 1HE2 GLN 58 2HE2 GLN 58 13.874 -1.667 -7.279 440 2HE2 GLN 58 1HE2 GLN 58 13.277 -3.017 -6.340 441 H GLU 59 H GLU 59 17.928 -0.115 -10.297 442 HA GLU 59 HA GLU 59 18.913 2.512 -9.663 443 1HB GLU 59 1HB GLU 59 18.013 1.060 -12.016 444 2HB GLU 59 2HB GLU 59 17.549 2.749 -12.042 445 1HG GLU 59 1HG GLU 59 20.345 1.888 -11.382 446 2HG GLU 59 2HG GLU 59 19.828 2.158 -13.034 447 H SER 60 H SER 60 17.229 2.338 -7.725 448 HA SER 60 HA SER 60 15.452 4.439 -7.831 449 1HB SER 60 1HB SER 60 14.335 2.227 -9.226 450 2HB SER 60 2HB SER 60 13.458 2.398 -7.719 451 HG SER 60 HG SER 60 12.606 3.737 -9.385 452 H GLN 61 H GLN 61 16.733 4.454 -5.805 453 HA GLN 61 HA GLN 61 16.449 2.513 -3.782 454 1HB GLN 61 1HB GLN 61 17.146 4.248 -2.255 455 2HB GLN 61 2HB GLN 61 18.041 4.396 -3.754 456 1HG GLN 61 1HG GLN 61 16.470 6.165 -4.478 457 2HG GLN 61 2HG GLN 61 15.665 6.052 -2.926 458 1HE2 GLN 61 2HE2 GLN 61 16.060 8.277 -2.570 459 2HE2 GLN 61 1HE2 GLN 61 17.646 8.830 -2.081 460 H GLN 62 H GLN 62 14.271 5.051 -4.800 461 HA GLN 62 HA GLN 62 12.527 4.870 -2.515 462 1HB GLN 62 1HB GLN 62 12.322 6.191 -5.188 463 2HB GLN 62 2HB GLN 62 11.002 6.204 -4.036 464 1HG GLN 62 1HG GLN 62 13.774 7.230 -3.450 465 2HG GLN 62 2HG GLN 62 12.422 8.241 -3.918 466 1HE2 GLN 62 2HE2 GLN 62 13.709 6.112 -1.426 467 2HE2 GLN 62 1HE2 GLN 62 12.618 6.632 -0.162 468 H LEU 63 H LEU 63 12.000 4.102 -5.974 469 HA LEU 63 HA LEU 63 9.680 2.601 -5.559 470 1HB LEU 63 1HB LEU 63 11.619 3.004 -7.622 471 2HB LEU 63 2HB LEU 63 11.079 1.339 -7.596 472 HG LEU 63 HG LEU 63 9.711 2.381 -9.102 473 1HD1 LEU 63 1HD1 LEU 63 8.519 0.942 -7.555 474 2HD1 LEU 63 2HD1 LEU 63 8.263 2.333 -6.445 475 3HD1 LEU 63 3HD1 LEU 63 7.475 2.316 -8.061 476 1HD2 LEU 63 1HD2 LEU 63 9.325 4.652 -7.137 477 2HD2 LEU 63 2HD2 LEU 63 10.290 4.704 -8.654 478 3HD2 LEU 63 3HD2 LEU 63 8.506 4.493 -8.730 479 H GLN 64 H GLN 64 13.017 1.634 -5.050 480 HA GLN 64 HA GLN 64 12.700 -1.127 -4.730 481 1HB GLN 64 1HB GLN 64 14.893 -0.331 -4.726 482 2HB GLN 64 2HB GLN 64 14.548 0.879 -3.508 483 1HG GLN 64 1HG GLN 64 14.172 -0.958 -1.868 484 2HG GLN 64 2HG GLN 64 14.677 -2.103 -3.093 485 1HE2 GLN 64 2HE2 GLN 64 15.737 -0.396 -0.473 486 2HE2 GLN 64 1HE2 GLN 64 17.441 -0.327 -0.861 487 H GLN 65 H GLN 65 11.957 1.533 -2.501 488 HA GLN 65 HA GLN 65 11.335 -0.114 -0.282 489 1HB GLN 65 1HB GLN 65 11.660 2.192 0.130 490 2HB GLN 65 2HB GLN 65 10.427 2.640 -1.033 491 1HG GLN 65 1HG GLN 65 8.691 1.995 0.362 492 2HG GLN 65 2HG GLN 65 9.716 0.938 1.313 493 1HE2 GLN 65 2HE2 GLN 65 8.474 2.124 3.019 494 2HE2 GLN 65 1HE2 GLN 65 9.225 3.577 3.641 495 H CYS 66 H CYS 66 9.352 1.017 -3.042 496 HA CYS 66 HA CYS 66 6.943 -0.167 -2.045 497 1HB CYS 66 1HB CYS 66 6.695 1.508 -3.669 498 2HB CYS 66 2HB CYS 66 7.830 0.729 -4.753 499 H CYS 67 H CYS 67 9.377 -1.300 -4.481 500 HA CYS 67 HA CYS 67 8.128 -3.792 -4.933 501 1HB CYS 67 1HB CYS 67 10.223 -2.568 -5.974 502 2HB CYS 67 2HB CYS 67 11.070 -3.644 -4.882 503 H ASN 68 H ASN 68 10.519 -2.844 -2.435 504 HA ASN 68 HA ASN 68 10.628 -5.401 -1.157 505 1HB ASN 68 1HB ASN 68 12.323 -3.657 -0.879 506 2HB ASN 68 2HB ASN 68 11.144 -2.639 -0.075 507 1HD2 ASN 68 2HD2 ASN 68 12.746 -2.578 1.673 508 2HD2 ASN 68 1HD2 ASN 68 12.804 -3.906 2.810 509 H GLN 69 H GLN 69 8.443 -2.641 -0.854 510 HA GLN 69 HA GLN 69 7.198 -3.519 1.589 511 1HB GLN 69 1HB GLN 69 6.608 -1.451 -0.470 512 2HB GLN 69 2HB GLN 69 5.367 -1.890 0.686 513 1HG GLN 69 1HG GLN 69 8.008 -1.431 1.867 514 2HG GLN 69 2HG GLN 69 7.302 -0.015 1.113 515 1HE2 GLN 69 2HE2 GLN 69 7.868 -0.719 3.969 516 2HE2 GLN 69 1HE2 GLN 69 6.344 -0.424 4.775 517 H VAL 70 H VAL 70 6.161 -3.571 -1.836 518 HA VAL 70 HA VAL 70 3.862 -5.170 -1.378 519 HB VAL 70 HB VAL 70 5.558 -4.997 -3.846 520 1HG1 VAL 70 1HG1 VAL 70 3.863 -6.761 -3.836 521 2HG1 VAL 70 2HG1 VAL 70 2.622 -5.546 -3.369 522 3HG1 VAL 70 3HG1 VAL 70 3.424 -5.441 -4.976 523 1HG2 VAL 70 1HG2 VAL 70 3.261 -3.212 -2.956 524 2HG2 VAL 70 2HG2 VAL 70 4.990 -2.722 -3.033 525 3HG2 VAL 70 3HG2 VAL 70 4.103 -3.134 -4.543 526 H LYS 71 H LYS 71 7.232 -5.975 -1.407 527 HA LYS 71 HA LYS 71 6.886 -8.781 -1.926 528 1HB LYS 71 1HB LYS 71 9.004 -7.434 -2.108 529 2HB LYS 71 2HB LYS 71 9.089 -7.502 -0.359 530 1HG LYS 71 1HG LYS 71 10.314 -9.355 -0.758 531 2HG LYS 71 2HG LYS 71 8.741 -10.112 -0.916 532 1HD LYS 71 1HD LYS 71 8.808 -9.942 -3.302 533 2HD LYS 71 2HD LYS 71 10.215 -8.899 -3.249 534 1HE LYS 71 1HE LYS 71 10.431 -11.562 -1.948 535 2HE LYS 71 2HE LYS 71 10.434 -11.517 -3.700 536 1HZ LYS 71 1HZ LYS 71 12.249 -9.967 -3.609 537 2HZ LYS 71 2HZ LYS 71 12.246 -10.010 -1.953 538 3HZ LYS 71 3HZ LYS 71 12.646 -11.366 -2.815 539 H GLN 72 H GLN 72 6.526 -6.787 0.939 540 HA GLN 72 HA GLN 72 6.251 -9.154 2.645 541 1HB GLN 72 1HB GLN 72 6.183 -7.640 4.456 542 2HB GLN 72 2HB GLN 72 7.462 -7.129 3.373 543 1HG GLN 72 1HG GLN 72 6.467 -5.161 2.921 544 2HG GLN 72 2HG GLN 72 4.866 -5.870 2.860 545 1HE2 GLN 72 2HE2 GLN 72 4.419 -6.875 5.245 546 2HE2 GLN 72 1HE2 GLN 72 4.496 -5.643 6.484 547 H VAL 73 H VAL 73 4.298 -8.024 0.435 548 HA VAL 73 HA VAL 73 1.835 -7.564 1.769 549 HB VAL 73 HB VAL 73 2.682 -7.175 -0.701 550 1HG1 VAL 73 1HG1 VAL 73 2.758 -9.502 -1.429 551 2HG1 VAL 73 2HG1 VAL 73 1.016 -9.679 -1.021 552 3HG1 VAL 73 3HG1 VAL 73 1.522 -8.570 -2.342 553 1HG2 VAL 73 1HG2 VAL 73 -0.186 -7.678 0.053 554 2HG2 VAL 73 2HG2 VAL 73 0.734 -6.148 0.259 555 3HG2 VAL 73 3HG2 VAL 73 0.374 -6.764 -1.390 556 H ARG 74 H ARG 74 -0.127 -9.012 1.274 557 HA ARG 74 HA ARG 74 0.353 -11.572 2.492 558 1HB ARG 74 1HB ARG 74 -2.093 -10.357 1.267 559 2HB ARG 74 2HB ARG 74 -2.076 -11.945 2.007 560 1HG ARG 74 1HG ARG 74 -0.799 -9.877 3.647 561 2HG ARG 74 2HG ARG 74 -2.504 -9.591 3.365 562 1HD ARG 74 1HD ARG 74 -3.137 -11.389 4.605 563 2HD ARG 74 2HD ARG 74 -1.825 -12.381 4.004 564 HE ARG 74 HE ARG 74 -0.958 -10.286 5.778 565 1HH1 ARG 74 1HH2 ARG 74 -2.046 -13.598 5.700 566 2HH1 ARG 74 2HH2 ARG 74 -1.390 -13.941 7.285 567 1HH2 ARG 74 1HH1 ARG 74 -0.183 -10.757 7.811 568 2HH2 ARG 74 2HH1 ARG 74 -0.363 -12.376 8.450 569 H ASP 75 H ASP 75 -1.216 -10.918 -0.605 570 HA ASP 75 HA ASP 75 0.230 -12.295 -2.453 571 1HB ASP 75 1HB ASP 75 -0.963 -14.199 -0.583 572 2HB ASP 75 2HB ASP 75 -1.427 -14.493 -2.246 573 H GLU 76 H GLU 76 -3.063 -12.528 -1.137 574 HA GLU 76 HA GLU 76 -4.197 -11.846 -3.793 575 1HB GLU 76 1HB GLU 76 -6.196 -12.966 -3.112 576 2HB GLU 76 2HB GLU 76 -4.835 -14.033 -2.833 577 1HG GLU 76 1HG GLU 76 -5.003 -12.770 -0.428 578 2HG GLU 76 2HG GLU 76 -6.689 -12.811 -0.902 579 H CYS 77 H CYS 77 -3.542 -10.573 -0.778 580 HA CYS 77 HA CYS 77 -5.730 -8.651 -0.838 581 1HB CYS 77 1HB CYS 77 -3.438 -8.848 1.060 582 2HB CYS 77 2HB CYS 77 -4.914 -7.924 1.267 583 H GLN 78 H GLN 78 -2.688 -8.993 -2.270 584 HA GLN 78 HA GLN 78 -1.651 -6.384 -2.207 585 1HB GLN 78 1HB GLN 78 -0.436 -7.060 -4.205 586 2HB GLN 78 2HB GLN 78 -0.467 -8.369 -3.041 587 1HG GLN 78 1HG GLN 78 -2.041 -9.591 -4.287 588 2HG GLN 78 2HG GLN 78 -2.471 -8.201 -5.263 589 1HE2 GLN 78 2HE2 GLN 78 -2.210 -9.342 -7.203 590 2HE2 GLN 78 1HE2 GLN 78 -0.610 -9.681 -7.824 591 H CYS 79 H CYS 79 -4.294 -7.764 -4.127 592 HA CYS 79 HA CYS 79 -4.437 -5.538 -5.941 593 1HB CYS 79 1HB CYS 79 -5.560 -8.059 -5.783 594 2HB CYS 79 2HB CYS 79 -6.910 -6.957 -5.611 595 H GLU 80 H GLU 80 -6.861 -6.656 -3.596 596 HA GLU 80 HA GLU 80 -8.354 -4.356 -3.368 597 1HB GLU 80 1HB GLU 80 -8.260 -6.778 -2.060 598 2HB GLU 80 2HB GLU 80 -7.963 -5.614 -0.785 599 1HG GLU 80 1HG GLU 80 -10.325 -5.949 -0.911 600 2HG GLU 80 2HG GLU 80 -9.985 -4.362 -1.567 601 H ALA 81 H ALA 81 -5.274 -5.022 -1.854 602 HA ALA 81 HA ALA 81 -5.019 -2.903 -0.096 603 1HB ALA 81 1HB ALA 81 -3.358 -4.678 -0.333 604 2HB ALA 81 2HB ALA 81 -2.948 -4.062 -1.971 605 3HB ALA 81 3HB ALA 81 -2.609 -3.054 -0.521 606 H ILE 82 H ILE 82 -4.002 -2.855 -3.594 607 HA ILE 82 HA ILE 82 -3.728 -0.080 -3.679 608 HB ILE 82 HB ILE 82 -4.378 -2.115 -5.690 609 1HG1 ILE 82 1HG1 ILE 82 -2.118 -1.913 -5.044 610 2HG1 ILE 82 2HG1 ILE 82 -2.280 -1.253 -6.659 611 1HG2 ILE 82 1HG2 ILE 82 -5.778 -0.266 -6.435 612 2HG2 ILE 82 2HG2 ILE 82 -4.371 0.846 -6.302 613 3HG2 ILE 82 3HG2 ILE 82 -4.356 -0.482 -7.515 614 1HD1 ILE 82 1HD1 ILE 82 -2.233 1.043 -5.752 615 2HD1 ILE 82 2HD1 ILE 82 -2.067 0.367 -4.094 616 3HD1 ILE 82 3HD1 ILE 82 -0.757 0.120 -5.301 617 H LYS 83 H LYS 83 -6.769 -1.946 -4.100 618 HA LYS 83 HA LYS 83 -8.321 0.381 -4.636 619 1HB LYS 83 1HB LYS 83 -8.747 -2.398 -4.275 620 2HB LYS 83 2HB LYS 83 -9.920 -1.531 -3.303 621 1HG LYS 83 1HG LYS 83 -10.932 -1.736 -5.425 622 2HG LYS 83 2HG LYS 83 -10.328 -0.092 -5.374 623 1HD LYS 83 1HD LYS 83 -9.190 -0.499 -7.265 624 2HD LYS 83 2HD LYS 83 -8.221 -1.668 -6.390 625 1HE LYS 83 1HE LYS 83 -9.080 -3.246 -7.734 626 2HE LYS 83 2HE LYS 83 -10.613 -2.999 -6.923 627 1HZ LYS 83 1HZ LYS 83 -11.141 -1.323 -8.538 628 2HZ LYS 83 2HZ LYS 83 -9.692 -1.557 -9.304 629 3HZ LYS 83 3HZ LYS 83 -10.823 -2.765 -9.286 630 H TYR 84 H TYR 84 -6.729 -0.378 -1.851 631 HA TYR 84 HA TYR 84 -8.496 1.102 -0.026 632 1HB TYR 84 1HB TYR 84 -7.942 -1.136 0.695 633 2HB TYR 84 2HB TYR 84 -6.236 -0.809 0.465 634 HD1 TYR 84 1HD TYR 84 -5.011 0.708 2.031 635 HD2 TYR 84 2HD TYR 84 -9.123 -0.430 2.582 636 HE1 TYR 84 1HE TYR 84 -4.968 1.633 4.348 637 HE2 TYR 84 2HE TYR 84 -8.978 0.167 4.990 638 HH TYR 84 HH TYR 84 -7.890 1.193 6.489 639 H ILE 85 H ILE 85 -4.985 0.583 -0.519 640 HA ILE 85 HA ILE 85 -4.168 2.911 0.777 641 HB ILE 85 HB ILE 85 -2.764 0.970 0.298 642 1HG1 ILE 85 1HG1 ILE 85 -0.713 2.132 -0.099 643 2HG1 ILE 85 2HG1 ILE 85 -1.563 3.468 -0.848 644 1HG2 ILE 85 1HG2 ILE 85 -3.426 0.482 -2.003 645 2HG2 ILE 85 2HG2 ILE 85 -2.686 2.030 -2.541 646 3HG2 ILE 85 3HG2 ILE 85 -1.648 0.718 -1.881 647 1HD1 ILE 85 1HD1 ILE 85 -2.647 4.007 1.289 648 2HD1 ILE 85 2HD1 ILE 85 -1.774 2.637 2.058 649 3HD1 ILE 85 3HD1 ILE 85 -0.854 4.046 1.424 650 H ALA 86 H ALA 86 -5.217 2.411 -2.521 651 HA ALA 86 HA ALA 86 -4.352 4.909 -3.562 652 1HB ALA 86 1HB ALA 86 -4.931 3.039 -5.053 653 2HB ALA 86 2HB ALA 86 -6.628 3.109 -4.466 654 3HB ALA 86 3HB ALA 86 -5.944 4.482 -5.402 655 H GLU 87 H GLU 87 -7.704 3.889 -3.062 656 HA GLU 87 HA GLU 87 -8.731 6.459 -2.854 657 1HB GLU 87 1HB GLU 87 -9.930 4.190 -3.099 658 2HB GLU 87 2HB GLU 87 -10.021 4.255 -1.351 659 1HG GLU 87 1HG GLU 87 -11.510 5.994 -1.362 660 2HG GLU 87 2HG GLU 87 -10.779 6.742 -2.767 661 H ASP 88 H ASP 88 -7.088 4.643 -0.423 662 HA ASP 88 HA ASP 88 -7.867 5.837 1.969 663 1HB ASP 88 1HB ASP 88 -6.444 4.023 2.266 664 2HB ASP 88 2HB ASP 88 -5.329 4.568 1.028 665 H GLN 89 H GLN 89 -4.846 6.553 0.252 666 HA GLN 89 HA GLN 89 -4.440 9.016 1.532 667 1HB GLN 89 1HB GLN 89 -2.930 9.528 -0.307 668 2HB GLN 89 2HB GLN 89 -2.671 7.929 0.360 669 1HG GLN 89 1HG GLN 89 -3.674 6.884 -1.518 670 2HG GLN 89 2HG GLN 89 -4.298 8.409 -2.118 671 1HE2 GLN 89 2HE2 GLN 89 -1.122 7.710 -0.806 672 2HE2 GLN 89 1HE2 GLN 89 -0.240 8.118 -2.260 673 H ILE 90 H ILE 90 -6.247 8.229 -1.411 674 HA ILE 90 HA ILE 90 -6.617 10.797 -2.420 675 HB ILE 90 HB ILE 90 -8.387 8.397 -2.410 676 1HG1 ILE 90 1HG1 ILE 90 -6.823 9.562 -4.695 677 2HG1 ILE 90 2HG1 ILE 90 -6.173 8.337 -3.624 678 1HG2 ILE 90 1HG2 ILE 90 -9.821 10.343 -2.644 679 2HG2 ILE 90 2HG2 ILE 90 -8.765 10.967 -3.958 680 3HG2 ILE 90 3HG2 ILE 90 -9.702 9.453 -4.201 681 1HD1 ILE 90 1HD1 ILE 90 -7.980 6.775 -4.275 682 2HD1 ILE 90 2HD1 ILE 90 -8.647 8.032 -5.374 683 3HD1 ILE 90 3HD1 ILE 90 -7.031 7.318 -5.702 684 H GLN 91 H GLN 91 -8.394 9.101 0.130 685 HA GLN 91 HA GLN 91 -10.215 11.264 0.625 686 1HB GLN 91 1HB GLN 91 -9.492 8.998 2.456 687 2HB GLN 91 2HB GLN 91 -10.931 9.996 2.528 688 1HG GLN 91 1HG GLN 91 -10.796 8.904 -0.079 689 2HG GLN 91 2HG GLN 91 -10.503 7.595 1.049 690 1HE2 GLN 91 2HE2 GLN 91 -12.787 9.950 -0.114 691 2HE2 GLN 91 1HE2 GLN 91 -14.174 9.330 0.752 692 H GLN 92 H GLN 92 -7.319 10.029 2.321 693 HA GLN 92 HA GLN 92 -7.305 11.874 4.422 694 1HB GLN 92 1HB GLN 92 -5.781 9.759 3.767 695 2HB GLN 92 2HB GLN 92 -4.675 11.057 3.362 696 1HG GLN 92 1HG GLN 92 -4.220 11.389 5.527 697 2HG GLN 92 2HG GLN 92 -5.919 11.650 5.867 698 1HE2 GLN 92 2HE2 GLN 92 -6.929 10.228 7.179 699 2HE2 GLN 92 1HE2 GLN 92 -6.294 8.654 7.605 700 H GLY 93 H GLY 93 -5.328 12.027 1.500 701 1HA GLY 93 1HA GLY 93 -4.574 14.748 1.744 702 2HA GLY 93 2HA GLY 93 -4.489 13.760 0.301 703 H GLN 94 H GLN 94 -4.987 16.276 -0.174 704 HA GLN 94 HA GLN 94 -7.836 16.782 -0.213 705 1HB GLN 94 1HB GLN 94 -5.567 18.365 -0.244 706 2HB GLN 94 2HB GLN 94 -6.285 18.593 -1.826 707 1HG GLN 94 1HG GLN 94 -8.402 19.187 -0.858 708 2HG GLN 94 2HG GLN 94 -7.854 18.736 0.744 709 1HE2 GLN 94 2HE2 GLN 94 -8.821 21.352 -0.569 710 2HE2 GLN 94 1HE2 GLN 94 -7.615 22.510 -0.057 711 H LEU 95 H LEU 95 -7.225 14.337 -1.615 712 HA LEU 95 HA LEU 95 -7.363 15.102 -4.456 713 1HB LEU 95 1HB LEU 95 -7.362 12.356 -3.303 714 2HB LEU 95 2HB LEU 95 -6.937 12.847 -4.930 715 HG LEU 95 HG LEU 95 -4.933 12.308 -3.933 716 1HD1 LEU 95 1HD1 LEU 95 -4.753 14.406 -5.151 717 2HD1 LEU 95 2HD1 LEU 95 -5.183 15.317 -3.662 718 3HD1 LEU 95 3HD1 LEU 95 -3.637 14.404 -3.742 719 1HD2 LEU 95 1HD2 LEU 95 -5.663 13.925 -1.507 720 2HD2 LEU 95 2HD2 LEU 95 -5.578 12.133 -1.620 721 3HD2 LEU 95 3HD2 LEU 95 -4.085 13.117 -1.803 722 H HIS 96 H HIS 96 -9.471 14.694 -1.934 723 HA HIS 96 HA HIS 96 -11.703 13.566 -3.339 724 1HB HIS 96 1HB HIS 96 -12.956 14.520 -1.401 725 2HB HIS 96 2HB HIS 96 -11.692 13.367 -1.026 726 HD1 HIS 96 1HD HIS 96 -12.002 14.495 1.460 727 HD2 HIS 96 2HD HIS 96 -10.212 16.823 -1.579 728 HE1 HIS 96 1HE HIS 96 -10.729 16.387 2.647 729 HE2 HIS 96 2HE HIS 96 -9.638 17.790 0.786 730 H GLY 97 H GLY 97 -13.790 14.793 -3.533 731 1HA GLY 97 1HA GLY 97 -14.979 16.714 -4.212 732 2HA GLY 97 2HA GLY 97 -13.477 17.605 -4.348 733 H GLU 98 H GLU 98 -11.927 16.644 -6.099 734 HA GLU 98 HA GLU 98 -12.954 15.259 -8.347 735 1HB GLU 98 1HB GLU 98 -14.316 17.352 -8.548 736 2HB GLU 98 2HB GLU 98 -12.820 18.223 -8.820 737 1HG GLU 98 1HG GLU 98 -12.354 16.806 -10.779 738 2HG GLU 98 2HG GLU 98 -13.855 15.943 -10.511 739 H GLU 99 H GLU 99 -10.724 14.721 -7.132 740 HA GLU 99 HA GLU 99 -8.631 15.386 -9.009 741 1HB GLU 99 1HB GLU 99 -7.156 16.218 -6.991 742 2HB GLU 99 2HB GLU 99 -8.088 17.323 -7.980 743 1HG GLU 99 1HG GLU 99 -9.874 17.293 -6.277 744 2HG GLU 99 2HG GLU 99 -8.871 16.260 -5.277 745 H SER 100 H SER 100 -10.115 13.144 -7.804 746 HA SER 100 HA SER 100 -8.047 11.647 -6.350 747 1HB SER 100 1HB SER 100 -10.239 11.337 -5.477 748 2HB SER 100 2HB SER 100 -10.918 11.108 -7.077 749 HG SER 100 HG SER 100 -10.515 9.104 -6.000 750 H GLU 101 H GLU 101 -9.874 11.601 -9.405 751 HA GLU 101 HA GLU 101 -8.671 9.242 -10.439 752 1HB GLU 101 1HB GLU 101 -10.707 10.540 -11.284 753 2HB GLU 101 2HB GLU 101 -9.552 11.565 -12.112 754 1HG GLU 101 1HG GLU 101 -9.308 10.039 -13.740 755 2HG GLU 101 2HG GLU 101 -8.872 8.815 -12.565 756 H ARG 102 H ARG 102 -7.537 12.577 -10.270 757 HA ARG 102 HA ARG 102 -5.346 12.261 -12.100 758 1HB ARG 102 1HB ARG 102 -4.524 14.298 -11.222 759 2HB ARG 102 2HB ARG 102 -6.271 14.424 -11.279 760 1HG ARG 102 1HG ARG 102 -6.277 14.962 -9.128 761 2HG ARG 102 2HG ARG 102 -5.628 13.380 -8.751 762 1HD ARG 102 1HD ARG 102 -3.428 14.172 -8.716 763 2HD ARG 102 2HD ARG 102 -3.866 15.662 -9.526 764 HE ARG 102 HE ARG 102 -5.147 15.246 -6.938 765 1HH1 ARG 102 1HH2 ARG 102 -2.413 16.657 -8.587 766 2HH1 ARG 102 2HH2 ARG 102 -2.083 17.789 -7.294 767 1HH2 ARG 102 1HH1 ARG 102 -4.681 16.741 -5.290 768 2HH2 ARG 102 2HH1 ARG 102 -3.328 17.834 -5.486 769 H VAL 103 H VAL 103 -5.840 11.183 -8.863 770 HA VAL 103 HA VAL 103 -3.005 10.785 -8.307 771 HB VAL 103 HB VAL 103 -5.522 10.366 -6.792 772 1HG1 VAL 103 1HG1 VAL 103 -4.294 8.288 -6.421 773 2HG1 VAL 103 2HG1 VAL 103 -2.832 9.237 -5.982 774 3HG1 VAL 103 3HG1 VAL 103 -4.298 9.311 -4.943 775 1HG2 VAL 103 1HG2 VAL 103 -2.933 11.839 -6.233 776 2HG2 VAL 103 2HG2 VAL 103 -4.489 12.569 -6.759 777 3HG2 VAL 103 3HG2 VAL 103 -4.360 11.797 -5.141 778 H ALA 104 H ALA 104 -5.814 8.951 -9.418 779 HA ALA 104 HA ALA 104 -4.807 6.370 -9.160 780 1HB ALA 104 1HB ALA 104 -7.054 6.870 -9.974 781 2HB ALA 104 2HB ALA 104 -6.357 7.571 -11.475 782 3HB ALA 104 3HB ALA 104 -6.184 5.813 -11.139 783 H GLN 105 H GLN 105 -4.041 8.754 -11.711 784 HA GLN 105 HA GLN 105 -2.240 7.017 -13.107 785 1HB GLN 105 1HB GLN 105 -1.461 9.061 -14.212 786 2HB GLN 105 2HB GLN 105 -3.206 8.912 -14.215 787 1HG GLN 105 1HG GLN 105 -3.504 10.695 -12.858 788 2HG GLN 105 2HG GLN 105 -2.007 10.423 -11.990 789 1HE2 GLN 105 2HE2 GLN 105 -1.019 12.346 -12.039 790 2HE2 GLN 105 1HE2 GLN 105 -0.653 13.233 -13.501 791 H ARG 106 H ARG 106 -1.816 9.228 -10.408 792 HA ARG 106 HA ARG 106 1.026 9.304 -10.367 793 1HB ARG 106 1HB ARG 106 -0.994 9.602 -8.171 794 2HB ARG 106 2HB ARG 106 0.716 9.950 -8.002 795 1HG ARG 106 1HG ARG 106 -0.627 11.334 -10.213 796 2HG ARG 106 2HG ARG 106 -1.149 11.800 -8.607 797 1HD ARG 106 1HD ARG 106 1.714 11.583 -8.678 798 2HD ARG 106 2HD ARG 106 1.166 12.647 -9.958 799 HE ARG 106 HE ARG 106 1.001 13.111 -7.081 800 1HH1 ARG 106 1HH2 ARG 106 -0.208 14.092 -10.227 801 2HH1 ARG 106 2HH2 ARG 106 -0.757 15.644 -9.635 802 1HH2 ARG 106 1HH1 ARG 106 0.266 15.106 -6.383 803 2HH2 ARG 106 2HH1 ARG 106 -0.495 16.201 -7.515 804 H ALA 107 H ALA 107 -1.365 7.189 -8.756 805 HA ALA 107 HA ALA 107 0.632 5.642 -7.411 806 1HB ALA 107 1HB ALA 107 -1.682 5.792 -6.688 807 2HB ALA 107 2HB ALA 107 -2.206 5.020 -8.225 808 3HB ALA 107 3HB ALA 107 -1.229 4.087 -7.038 809 H GLY 108 H GLY 108 -1.084 5.330 -10.462 810 1HA GLY 108 1HA GLY 108 -0.281 2.878 -11.395 811 2HA GLY 108 2HA GLY 108 -0.520 4.293 -12.399 812 H GLU 109 H GLU 109 1.683 5.840 -11.258 813 HA GLU 109 HA GLU 109 3.885 5.011 -12.759 814 1HB GLU 109 1HB GLU 109 3.546 6.826 -10.436 815 2HB GLU 109 2HB GLU 109 5.170 6.391 -10.929 816 1HG GLU 109 1HG GLU 109 4.308 7.032 -13.313 817 2HG GLU 109 2HG GLU 109 3.095 7.931 -12.422 818 H ILE 110 H ILE 110 3.437 4.575 -9.236 819 HA ILE 110 HA ILE 110 5.728 2.869 -9.037 820 HB ILE 110 HB ILE 110 3.422 3.279 -7.178 821 1HG1 ILE 110 1HG1 ILE 110 4.335 5.349 -7.078 822 2HG1 ILE 110 2HG1 ILE 110 5.436 4.544 -5.977 823 1HG2 ILE 110 1HG2 ILE 110 4.541 1.170 -6.760 824 2HG2 ILE 110 2HG2 ILE 110 6.131 2.011 -6.746 825 3HG2 ILE 110 3HG2 ILE 110 4.923 2.351 -5.459 826 1HD1 ILE 110 1HD1 ILE 110 7.066 4.223 -7.806 827 2HD1 ILE 110 2HD1 ILE 110 5.936 5.047 -8.936 828 3HD1 ILE 110 3HD1 ILE 110 6.671 5.961 -7.573 829 H VAL 111 H VAL 111 2.391 2.346 -9.720 830 HA VAL 111 HA VAL 111 2.279 -0.420 -9.257 831 HB VAL 111 HB VAL 111 0.808 1.301 -11.169 832 1HG1 VAL 111 1HG1 VAL 111 0.699 -0.953 -12.064 833 2HG1 VAL 111 2HG1 VAL 111 0.176 -1.568 -10.458 834 3HG1 VAL 111 3HG1 VAL 111 -0.889 -0.456 -11.384 835 1HG2 VAL 111 1HG2 VAL 111 0.129 0.217 -8.425 836 2HG2 VAL 111 2HG2 VAL 111 0.519 1.919 -8.852 837 3HG2 VAL 111 3HG2 VAL 111 -0.991 1.161 -9.469 838 H SER 112 H SER 112 2.764 1.265 -12.347 839 HA SER 112 HA SER 112 3.545 -0.937 -13.860 840 1HB SER 112 1HB SER 112 4.447 0.577 -15.433 841 2HB SER 112 2HB SER 112 3.024 1.322 -14.731 842 HG SER 112 HG SER 112 4.775 2.772 -14.909 843 H SER 113 H SER 113 5.362 0.777 -11.458 844 HA SER 113 HA SER 113 7.941 -0.268 -12.194 845 1HB SER 113 1HB SER 113 6.792 1.408 -10.102 846 2HB SER 113 2HB SER 113 8.166 0.444 -9.600 847 HG SER 113 HG SER 113 8.787 2.460 -10.490 848 H CYS 114 H CYS 114 6.353 -0.783 -9.042 849 HA CYS 114 HA CYS 114 6.540 -3.689 -9.369 850 1HB CYS 114 1HB CYS 114 8.700 -2.688 -8.387 851 2HB CYS 114 2HB CYS 114 7.750 -2.494 -6.927 852 H GLY 115 H GLY 115 4.327 -1.977 -9.333 853 1HA GLY 115 1HA GLY 115 2.968 -2.828 -6.846 854 2HA GLY 115 2HA GLY 115 2.843 -1.173 -7.403 855 H VAL 116 H VAL 116 3.056 -3.741 -9.724 856 HA VAL 116 HA VAL 116 0.547 -3.142 -10.928 857 HB VAL 116 HB VAL 116 2.320 -3.721 -12.334 858 1HG1 VAL 116 1HG1 VAL 116 3.715 -5.014 -10.804 859 2HG1 VAL 116 2HG1 VAL 116 2.534 -6.368 -10.878 860 3HG1 VAL 116 3HG1 VAL 116 3.458 -5.898 -12.348 861 1HG2 VAL 116 1HG2 VAL 116 0.382 -6.035 -12.245 862 2HG2 VAL 116 2HG2 VAL 116 0.148 -4.476 -13.108 863 3HG2 VAL 116 3HG2 VAL 116 1.442 -5.608 -13.633 864 H ARG 117 H ARG 117 -0.665 -3.424 -8.870 865 HA ARG 117 HA ARG 117 -1.168 -6.260 -8.200 866 1HB ARG 117 1HB ARG 117 -1.520 -3.696 -6.730 867 2HB ARG 117 2HB ARG 117 -2.418 -5.124 -6.254 868 1HG ARG 117 1HG ARG 117 -0.518 -5.167 -4.930 869 2HG ARG 117 2HG ARG 117 -0.184 -6.308 -6.217 870 1HD ARG 117 1HD ARG 117 0.697 -3.587 -6.771 871 2HD ARG 117 2HD ARG 117 1.497 -4.343 -5.407 872 HE ARG 117 HE ARG 117 2.015 -4.874 -8.129 873 1HH1 ARG 117 1HH2 ARG 117 1.596 -6.624 -5.154 874 2HH1 ARG 117 2HH2 ARG 117 2.503 -8.008 -5.721 875 1HH2 ARG 117 1HH1 ARG 117 3.131 -6.714 -8.827 876 2HH2 ARG 117 2HH1 ARG 117 3.342 -8.058 -7.728 877 H CYS 118 H CYS 118 -3.396 -3.700 -7.525 878 HA CYS 118 HA CYS 118 -5.281 -4.828 -9.504 879 1HB CYS 118 1HB CYS 118 -5.537 -4.003 -6.803 880 2HB CYS 118 2HB CYS 118 -6.559 -2.990 -7.803 881 H MET 119 H MET 119 -3.073 -2.488 -9.422 882 HA MET 119 HA MET 119 -4.710 -0.401 -10.700 883 1HB MET 119 1HB MET 119 -2.158 -0.608 -9.314 884 2HB MET 119 2HB MET 119 -2.153 0.473 -10.692 885 1HG MET 119 1HG MET 119 -4.467 0.862 -9.022 886 2HG MET 119 2HG MET 119 -2.971 1.071 -8.135 887 1HE MET 119 1HE MET 119 -5.606 2.886 -9.573 888 2HE MET 119 2HE MET 119 -4.733 3.426 -8.096 889 3HE MET 119 3HE MET 119 -4.806 4.496 -9.539 890 H ARG 120 H ARG 120 -3.172 -3.148 -11.656 891 HA ARG 120 HA ARG 120 -3.195 -2.385 -14.437 892 1HB ARG 120 1HB ARG 120 -1.017 -1.586 -14.035 893 2HB ARG 120 2HB ARG 120 -0.613 -2.963 -13.031 894 1HG ARG 120 1HG ARG 120 -0.660 -4.440 -14.953 895 2HG ARG 120 2HG ARG 120 -1.223 -3.137 -15.982 896 1HD ARG 120 1HD ARG 120 0.839 -2.165 -16.113 897 2HD ARG 120 2HD ARG 120 1.309 -2.697 -14.512 898 HE ARG 120 HE ARG 120 1.222 -5.041 -15.847 899 1HH1 ARG 120 1HH2 ARG 120 2.756 -2.040 -16.731 900 2HH1 ARG 120 2HH2 ARG 120 4.030 -2.844 -17.619 901 1HH2 ARG 120 1HH1 ARG 120 2.882 -6.028 -16.968 902 2HH2 ARG 120 2HH1 ARG 120 4.100 -5.048 -17.751 903 H GLN 121 H GLN 121 -2.201 -4.823 -12.048 904 HA GLN 121 HA GLN 121 -2.830 -6.977 -13.941 905 1HB GLN 121 1HB GLN 121 -0.896 -6.819 -12.136 906 2HB GLN 121 2HB GLN 121 -2.137 -7.518 -11.116 907 1HG GLN 121 1HG GLN 121 -2.370 -9.349 -12.805 908 2HG GLN 121 2HG GLN 121 -0.964 -8.692 -13.619 909 1HE2 GLN 121 2HE2 GLN 121 0.142 -7.863 -10.849 910 2HE2 GLN 121 1HE2 GLN 121 0.851 -9.352 -10.264 911 H THR 122 H THR 122 -3.587 -8.570 -11.508 912 HA THR 122 HA THR 122 -6.338 -7.696 -11.025 913 HB THR 122 HB THR 122 -6.976 -10.123 -11.623 914 HG1 THR 122 1HG THR 122 -5.697 -10.994 -13.297 915 1HG2 THR 122 1HG2 THR 122 -7.658 -8.148 -12.964 916 2HG2 THR 122 2HG2 THR 122 -6.080 -8.214 -13.823 917 3HG2 THR 122 3HG2 THR 122 -7.265 -9.552 -14.015 918 H ARG 123 H ARG 123 -7.356 -9.562 -9.591 919 HA ARG 123 HA ARG 123 -6.284 -9.371 -7.078 920 1HB ARG 123 1HB ARG 123 -8.183 -11.282 -8.309 921 2HB ARG 123 2HB ARG 123 -7.642 -11.562 -6.666 922 1HG ARG 123 1HG ARG 123 -8.589 -9.556 -5.894 923 2HG ARG 123 2HG ARG 123 -8.753 -8.911 -7.516 924 1HD ARG 123 1HD ARG 123 -10.290 -11.009 -7.882 925 2HD ARG 123 2HD ARG 123 -10.413 -10.982 -6.134 926 HE ARG 123 HE ARG 123 -11.583 -9.089 -8.013 927 1HH1 ARG 123 1HH2 ARG 123 -10.691 -9.656 -4.684 928 2HH1 ARG 123 2HH2 ARG 123 -11.712 -8.365 -4.090 929 1HH2 ARG 123 1HH1 ARG 123 -12.831 -7.417 -7.203 930 2HH2 ARG 123 2HH1 ARG 123 -12.892 -7.129 -5.478 931 H THR 124 H THR 124 -6.519 -12.624 -8.146 932 HA THR 124 HA THR 124 -3.879 -13.279 -7.066 933 HB THR 124 HB THR 124 -5.564 -14.786 -6.452 934 HG1 THR 124 1HG THR 124 -4.803 -16.685 -7.504 935 1HG2 THR 124 1HG2 THR 124 -7.353 -14.258 -8.065 936 2HG2 THR 124 2HG2 THR 124 -6.414 -15.082 -9.359 937 3HG2 THR 124 3HG2 THR 124 -7.057 -16.029 -7.971 938 H ASN 125 H ASN 125 -2.228 -12.817 -8.428 939 HA ASN 125 HA ASN 125 -1.127 -12.507 -10.421 940 1HB ASN 125 1HB ASN 125 -1.719 -15.242 -9.872 941 2HB ASN 125 2HB ASN 125 -1.538 -15.009 -11.599 942 1HD2 ASN 125 2HD2 ASN 125 0.185 -16.447 -11.510 943 2HD2 ASN 125 1HD2 ASN 125 1.765 -15.910 -10.982 Start of MODEL 5 1 1H ALA 1 1H ALA 1 -40.335 -0.537 22.503 2 2H ALA 1 2H ALA 1 -41.198 0.727 21.871 3 3H ALA 1 3H ALA 1 -41.946 -0.376 22.853 4 HA ALA 1 HA ALA 1 -41.568 -2.095 21.260 5 1HB ALA 1 1HB ALA 1 -43.717 -0.923 21.243 6 2HB ALA 1 2HB ALA 1 -43.019 0.337 20.168 7 3HB ALA 1 3HB ALA 1 -43.210 -1.348 19.572 8 H GLU 2 H GLU 2 -39.253 -2.065 20.931 9 HA GLU 2 HA GLU 2 -38.578 -1.503 18.196 10 1HB GLU 2 1HB GLU 2 -36.700 0.075 18.691 11 2HB GLU 2 2HB GLU 2 -38.308 0.763 18.805 12 1HG GLU 2 1HG GLU 2 -37.800 1.466 20.866 13 2HG GLU 2 2HG GLU 2 -37.713 -0.210 21.372 14 H PHE 3 H PHE 3 -37.553 -3.306 17.758 15 HA PHE 3 HA PHE 3 -36.062 -4.783 19.709 16 1HB PHE 3 1HB PHE 3 -35.569 -6.222 17.794 17 2HB PHE 3 2HB PHE 3 -37.271 -5.817 17.881 18 HD1 PHE 3 1HD PHE 3 -38.310 -4.303 16.225 19 HD2 PHE 3 2HD PHE 3 -34.157 -5.442 15.969 20 HE1 PHE 3 1HE PHE 3 -38.225 -3.459 13.881 21 HE2 PHE 3 2HE PHE 3 -34.109 -4.686 13.593 22 HZ PHE 3 HZ PHE 3 -36.106 -3.603 12.582 23 H MET 4 H MET 4 -33.810 -5.341 19.627 24 HA MET 4 HA MET 4 -32.045 -3.185 19.438 25 1HB MET 4 1HB MET 4 -31.929 -5.926 20.086 26 2HB MET 4 2HB MET 4 -30.660 -5.620 18.916 27 1HG MET 4 1HG MET 4 -29.428 -4.500 20.412 28 2HG MET 4 2HG MET 4 -30.801 -3.545 20.935 29 1HE MET 4 1HE MET 4 -31.973 -3.726 23.066 30 2HE MET 4 2HE MET 4 -32.899 -5.007 22.211 31 3HE MET 4 3HE MET 4 -32.322 -5.285 23.891 32 H GLU 5 H GLU 5 -31.776 -2.002 17.666 33 HA GLU 5 HA GLU 5 -30.630 -3.305 15.321 34 1HB GLU 5 1HB GLU 5 -32.170 -2.427 13.754 35 2HB GLU 5 2HB GLU 5 -33.069 -3.357 14.934 36 1HG GLU 5 1HG GLU 5 -33.995 -1.440 15.912 37 2HG GLU 5 2HG GLU 5 -32.801 -0.384 15.185 38 H SER 6 H SER 6 -29.962 -1.600 13.693 39 HA SER 6 HA SER 6 -29.888 1.131 14.158 40 1HB SER 6 1HB SER 6 -27.921 -0.347 15.779 41 2HB SER 6 2HB SER 6 -27.310 1.046 14.909 42 HG SER 6 HG SER 6 -27.942 1.547 17.030 43 H LYS 7 H LYS 7 -30.004 -0.814 12.035 44 HA LYS 7 HA LYS 7 -27.474 -0.675 10.632 45 1HB LYS 7 1HB LYS 7 -30.066 -1.961 10.291 46 2HB LYS 7 2HB LYS 7 -29.314 -1.469 8.787 47 1HG LYS 7 1HG LYS 7 -27.458 -2.720 10.684 48 2HG LYS 7 2HG LYS 7 -28.736 -3.788 10.141 49 1HD LYS 7 1HD LYS 7 -27.915 -2.556 7.807 50 2HD LYS 7 2HD LYS 7 -26.416 -2.784 8.684 51 1HE LYS 7 1HE LYS 7 -27.518 -5.199 9.087 52 2HE LYS 7 2HE LYS 7 -28.264 -4.802 7.552 53 1HZ LYS 7 1HZ LYS 7 -26.090 -4.396 6.654 54 2HZ LYS 7 2HZ LYS 7 -25.385 -4.771 8.104 55 3HZ LYS 7 3HZ LYS 7 -26.189 -5.938 7.249 56 H GLY 8 H GLY 8 -27.311 0.200 8.402 57 1HA GLY 8 1HA GLY 8 -29.041 2.443 7.739 58 2HA GLY 8 2HA GLY 8 -27.433 2.909 8.258 59 H GLU 9 H GLU 9 -25.835 2.928 6.828 60 HA GLU 9 HA GLU 9 -25.848 1.131 4.543 61 1HB GLU 9 1HB GLU 9 -27.284 3.257 4.021 62 2HB GLU 9 2HB GLU 9 -25.719 4.025 3.843 63 1HG GLU 9 1HG GLU 9 -25.494 3.139 1.798 64 2HG GLU 9 2HG GLU 9 -25.656 1.527 2.464 65 H ARG 10 H ARG 10 -23.858 1.208 3.321 66 HA ARG 10 HA ARG 10 -21.703 2.922 4.256 67 1HB ARG 10 1HB ARG 10 -22.051 0.710 5.752 68 2HB ARG 10 2HB ARG 10 -21.036 0.051 4.486 69 1HG ARG 10 1HG ARG 10 -19.440 1.944 4.875 70 2HG ARG 10 2HG ARG 10 -20.418 2.424 6.247 71 1HD ARG 10 1HD ARG 10 -20.081 -0.060 6.994 72 2HD ARG 10 2HD ARG 10 -18.706 -0.001 5.908 73 HE ARG 10 HE ARG 10 -18.757 2.237 7.729 74 1HH1 ARG 10 1HH2 ARG 10 -17.854 -1.131 7.505 75 2HH1 ARG 10 2HH2 ARG 10 -16.652 -0.995 8.767 76 1HH2 ARG 10 1HH1 ARG 10 -17.203 2.375 9.328 77 2HH2 ARG 10 2HH1 ARG 10 -16.290 0.952 9.780 78 H GLU 11 H GLU 11 -19.742 2.630 3.024 79 HA GLU 11 HA GLU 11 -20.332 1.854 0.288 80 1HB GLU 11 1HB GLU 11 -18.609 3.703 1.532 81 2HB GLU 11 2HB GLU 11 -17.609 2.598 0.611 82 1HG GLU 11 1HG GLU 11 -19.252 2.939 -1.307 83 2HG GLU 11 2HG GLU 11 -19.911 4.270 -0.378 84 H GLY 12 H GLY 12 -17.872 0.983 -0.653 85 1HA GLY 12 1HA GLY 12 -17.766 -1.713 -0.465 86 2HA GLY 12 2HA GLY 12 -16.340 -0.719 -0.681 87 H SER 13 H SER 13 -16.192 -3.185 0.499 88 HA SER 13 HA SER 13 -15.746 -2.482 3.347 89 1HB SER 13 1HB SER 13 -16.405 -5.214 2.310 90 2HB SER 13 2HB SER 13 -16.283 -4.712 3.984 91 HG SER 13 HG SER 13 -18.441 -4.911 3.285 92 H SER 14 H SER 14 -14.627 -5.387 3.265 93 HA SER 14 HA SER 14 -12.264 -5.282 1.684 94 1HB SER 14 1HB SER 14 -10.716 -5.208 3.656 95 2HB SER 14 2HB SER 14 -11.469 -3.687 3.219 96 HG SER 14 HG SER 14 -11.511 -4.069 5.481 97 H SER 15 H SER 15 -10.580 -6.924 3.051 98 HA SER 15 HA SER 15 -11.912 -9.430 2.690 99 1HB SER 15 1HB SER 15 -9.188 -8.497 3.346 100 2HB SER 15 2HB SER 15 -9.609 -10.117 3.864 101 HG SER 15 HG SER 15 -8.682 -10.077 1.777 102 H GLN 16 H GLN 16 -12.261 -11.030 4.281 103 HA GLN 16 HA GLN 16 -13.422 -10.064 6.668 104 1HB GLN 16 1HB GLN 16 -13.964 -12.212 5.576 105 2HB GLN 16 2HB GLN 16 -12.413 -12.838 6.096 106 1HG GLN 16 1HG GLN 16 -13.271 -13.380 8.080 107 2HG GLN 16 2HG GLN 16 -13.718 -11.708 8.358 108 1HE2 GLN 16 2HE2 GLN 16 -15.578 -12.322 9.511 109 2HE2 GLN 16 1HE2 GLN 16 -16.987 -12.944 8.680 110 H GLN 17 H GLN 17 -10.126 -10.604 5.883 111 HA GLN 17 HA GLN 17 -9.193 -9.530 8.316 112 1HB GLN 17 1HB GLN 17 -9.905 -12.145 8.641 113 2HB GLN 17 2HB GLN 17 -8.205 -12.286 8.239 114 1HG GLN 17 1HG GLN 17 -8.042 -10.265 9.963 115 2HG GLN 17 2HG GLN 17 -9.495 -11.022 10.585 116 1HE2 GLN 17 2HE2 GLN 17 -7.448 -10.931 12.272 117 2HE2 GLN 17 1HE2 GLN 17 -6.669 -12.490 12.431 118 H CYS 18 H CYS 18 -8.234 -8.264 6.637 119 HA CYS 18 HA CYS 18 -5.604 -9.326 5.979 120 1HB CYS 18 1HB CYS 18 -7.584 -9.594 4.056 121 2HB CYS 18 2HB CYS 18 -6.708 -8.139 3.624 122 H ARG 19 H ARG 19 -8.061 -6.713 5.366 123 HA ARG 19 HA ARG 19 -6.496 -4.566 4.822 124 1HB ARG 19 1HB ARG 19 -9.059 -4.848 5.547 125 2HB ARG 19 2HB ARG 19 -8.426 -4.134 7.016 126 1HG ARG 19 1HG ARG 19 -7.645 -2.210 5.852 127 2HG ARG 19 2HG ARG 19 -7.903 -2.966 4.293 128 1HD ARG 19 1HD ARG 19 -10.385 -3.086 5.064 129 2HD ARG 19 2HD ARG 19 -9.906 -1.832 6.191 130 HE ARG 19 HE ARG 19 -10.029 -0.337 4.482 131 1HH1 ARG 19 1HH2 ARG 19 -9.310 -3.458 3.028 132 2HH1 ARG 19 2HH2 ARG 19 -9.367 -2.811 1.403 133 1HH2 ARG 19 1HH1 ARG 19 -10.101 0.412 2.387 134 2HH2 ARG 19 2HH1 ARG 19 -9.803 -0.680 1.053 135 H GLN 20 H GLN 20 -6.848 -6.036 8.058 136 HA GLN 20 HA GLN 20 -5.269 -4.288 9.510 137 1HB GLN 20 1HB GLN 20 -6.585 -6.350 10.257 138 2HB GLN 20 2HB GLN 20 -5.138 -7.256 9.860 139 1HG GLN 20 1HG GLN 20 -5.112 -4.840 11.659 140 2HG GLN 20 2HG GLN 20 -5.319 -6.470 12.268 141 1HE2 GLN 20 2HE2 GLN 20 -3.571 -8.071 11.463 142 2HE2 GLN 20 1HE2 GLN 20 -1.930 -7.466 11.454 143 H GLU 21 H GLU 21 -3.870 -7.429 8.446 144 HA GLU 21 HA GLU 21 -1.241 -6.411 8.668 145 1HB GLU 21 1HB GLU 21 -0.549 -8.513 7.957 146 2HB GLU 21 2HB GLU 21 -2.060 -8.799 8.794 147 1HG GLU 21 1HG GLU 21 -2.872 -8.403 6.196 148 2HG GLU 21 2HG GLU 21 -1.359 -9.265 6.002 149 H VAL 22 H VAL 22 -3.488 -6.316 6.076 150 HA VAL 22 HA VAL 22 -1.819 -6.039 3.843 151 HB VAL 22 HB VAL 22 -4.655 -5.479 4.473 152 1HG1 VAL 22 1HG1 VAL 22 -4.030 -3.567 3.143 153 2HG1 VAL 22 2HG1 VAL 22 -3.321 -4.668 1.910 154 3HG1 VAL 22 3HG1 VAL 22 -5.091 -4.693 2.226 155 1HG2 VAL 22 1HG2 VAL 22 -3.262 -7.170 2.402 156 2HG2 VAL 22 2HG2 VAL 22 -4.005 -7.742 3.936 157 3HG2 VAL 22 3HG2 VAL 22 -5.041 -7.056 2.637 158 H GLN 23 H GLN 23 -3.594 -3.621 5.876 159 HA GLN 23 HA GLN 23 -2.243 -1.462 4.608 160 1HB GLN 23 1HB GLN 23 -3.420 -0.078 6.089 161 2HB GLN 23 2HB GLN 23 -4.483 -1.417 5.706 162 1HG GLN 23 1HG GLN 23 -4.773 -1.712 7.885 163 2HG GLN 23 2HG GLN 23 -3.105 -2.237 7.974 164 1HE2 GLN 23 2HE2 GLN 23 -4.099 -1.301 10.216 165 2HE2 GLN 23 1HE2 GLN 23 -3.533 0.319 10.558 166 H ARG 24 H ARG 24 -0.125 -3.044 5.225 167 HA ARG 24 HA ARG 24 1.385 -1.499 7.150 168 1HB ARG 24 1HB ARG 24 0.933 -4.450 7.453 169 2HB ARG 24 2HB ARG 24 2.141 -3.527 8.325 170 1HG ARG 24 1HG ARG 24 0.167 -2.090 9.118 171 2HG ARG 24 2HG ARG 24 -0.834 -3.423 8.578 172 1HD ARG 24 1HD ARG 24 1.327 -3.530 10.651 173 2HD ARG 24 2HD ARG 24 -0.399 -3.647 10.927 174 HE ARG 24 HE ARG 24 0.548 -5.663 9.099 175 1HH1 ARG 24 1HH2 ARG 24 0.377 -4.886 12.504 176 2HH1 ARG 24 2HH2 ARG 24 0.363 -6.570 12.980 177 1HH2 ARG 24 1HH1 ARG 24 0.482 -7.798 9.762 178 2HH2 ARG 24 2HH1 ARG 24 0.420 -8.176 11.469 179 H LYS 25 H LYS 25 1.335 -4.430 5.155 180 HA LYS 25 HA LYS 25 4.017 -3.682 4.162 181 1HB LYS 25 1HB LYS 25 4.113 -6.094 3.495 182 2HB LYS 25 2HB LYS 25 4.129 -5.770 5.217 183 1HG LYS 25 1HG LYS 25 1.432 -6.105 4.215 184 2HG LYS 25 2HG LYS 25 2.427 -7.510 3.887 185 1HD LYS 25 1HD LYS 25 3.148 -7.283 6.356 186 2HD LYS 25 2HD LYS 25 1.714 -6.289 6.518 187 1HE LYS 25 1HE LYS 25 0.289 -8.056 6.200 188 2HE LYS 25 2HE LYS 25 1.404 -8.903 5.147 189 1HZ LYS 25 1HZ LYS 25 2.731 -9.431 7.059 190 2HZ LYS 25 2HZ LYS 25 1.678 -8.630 8.054 191 3HZ LYS 25 3HZ LYS 25 1.188 -9.996 7.256 192 H ASP 26 H ASP 26 0.715 -4.519 3.228 193 HA ASP 26 HA ASP 26 0.960 -4.703 0.506 194 1HB ASP 26 1HB ASP 26 -1.262 -4.312 0.362 195 2HB ASP 26 2HB ASP 26 -1.104 -4.746 2.052 196 H LEU 27 H LEU 27 -0.419 -2.738 -0.816 197 HA LEU 27 HA LEU 27 1.502 -0.774 -1.279 198 1HB LEU 27 1HB LEU 27 -1.440 -0.726 -1.808 199 2HB LEU 27 2HB LEU 27 -0.253 0.335 -2.540 200 HG LEU 27 HG LEU 27 -0.532 -1.224 -4.144 201 1HD1 LEU 27 1HD1 LEU 27 1.818 -1.142 -3.733 202 2HD1 LEU 27 2HD1 LEU 27 1.657 -2.471 -2.533 203 3HD1 LEU 27 3HD1 LEU 27 1.305 -2.780 -4.268 204 1HD2 LEU 27 1HD2 LEU 27 -0.730 -3.358 -2.048 205 2HD2 LEU 27 2HD2 LEU 27 -2.072 -2.640 -3.004 206 3HD2 LEU 27 3HD2 LEU 27 -0.809 -3.622 -3.825 207 H SER 28 H SER 28 2.125 -0.089 0.948 208 HA SER 28 HA SER 28 0.339 1.967 2.034 209 1HB SER 28 1HB SER 28 0.984 1.369 4.302 210 2HB SER 28 2HB SER 28 0.141 0.048 3.519 211 HG SER 28 HG SER 28 2.021 -0.647 4.627 212 H SER 29 H SER 29 2.255 2.337 0.085 213 HA SER 29 HA SER 29 3.867 4.346 1.268 214 1HB SER 29 1HB SER 29 4.989 1.881 1.720 215 2HB SER 29 2HB SER 29 5.753 2.366 0.220 216 HG SER 29 HG SER 29 6.908 3.098 2.066 217 H CYS 30 H CYS 30 3.397 2.015 -1.384 218 HA CYS 30 HA CYS 30 4.767 3.415 -3.414 219 1HB CYS 30 1HB CYS 30 2.209 1.960 -3.878 220 2HB CYS 30 2HB CYS 30 3.624 2.050 -4.906 221 H GLU 31 H GLU 31 1.370 3.601 -2.315 222 HA GLU 31 HA GLU 31 0.747 5.737 -4.168 223 1HB GLU 31 1HB GLU 31 -0.662 4.111 -2.275 224 2HB GLU 31 2HB GLU 31 -1.055 5.800 -2.024 225 1HG GLU 31 1HG GLU 31 -2.624 5.170 -3.592 226 2HG GLU 31 2HG GLU 31 -1.354 5.829 -4.603 227 H ARG 32 H ARG 32 1.862 5.477 -0.825 228 HA ARG 32 HA ARG 32 1.479 8.204 -0.128 229 1HB ARG 32 1HB ARG 32 2.088 6.172 1.367 230 2HB ARG 32 2HB ARG 32 3.738 6.544 0.911 231 1HG ARG 32 1HG ARG 32 3.469 7.782 2.874 232 2HG ARG 32 2HG ARG 32 3.131 8.970 1.631 233 1HD ARG 32 1HD ARG 32 1.392 9.215 3.217 234 2HD ARG 32 2HD ARG 32 0.682 8.325 1.884 235 HE ARG 32 HE ARG 32 1.671 6.429 3.691 236 1HH1 ARG 32 1HH2 ARG 32 -0.759 8.934 3.734 237 2HH1 ARG 32 2HH2 ARG 32 -1.750 8.091 4.903 238 1HH2 ARG 32 1HH1 ARG 32 0.365 5.376 5.171 239 2HH2 ARG 32 2HH1 ARG 32 -1.127 6.121 5.699 240 H TYR 33 H TYR 33 4.041 6.540 -1.922 241 HA TYR 33 HA TYR 33 6.111 8.379 -1.783 242 1HB TYR 33 1HB TYR 33 6.156 6.132 -2.765 243 2HB TYR 33 2HB TYR 33 5.135 6.695 -4.073 244 HD1 TYR 33 1HD TYR 33 6.133 7.242 -6.084 245 HD2 TYR 33 2HD TYR 33 8.351 7.572 -2.413 246 HE1 TYR 33 1HE TYR 33 8.185 7.830 -7.391 247 HE2 TYR 33 2HE TYR 33 10.330 8.358 -3.701 248 HH TYR 33 HH TYR 33 11.245 8.606 -5.657 249 H LEU 34 H LEU 34 3.343 8.206 -4.036 250 HA LEU 34 HA LEU 34 4.122 10.636 -5.371 251 1HB LEU 34 1HB LEU 34 2.323 10.232 -6.728 252 2HB LEU 34 2HB LEU 34 2.821 8.630 -6.224 253 HG LEU 34 HG LEU 34 0.941 9.284 -4.387 254 1HD1 LEU 34 1HD1 LEU 34 0.185 11.260 -5.523 255 2HD1 LEU 34 2HD1 LEU 34 -0.077 10.312 -7.028 256 3HD1 LEU 34 3HD1 LEU 34 -1.079 9.982 -5.572 257 1HD2 LEU 34 1HD2 LEU 34 0.640 7.703 -6.924 258 2HD2 LEU 34 2HD2 LEU 34 1.254 7.121 -5.338 259 3HD2 LEU 34 3HD2 LEU 34 -0.464 7.621 -5.508 260 H ARG 35 H ARG 35 2.104 9.801 -2.615 261 HA ARG 35 HA ARG 35 0.739 12.289 -2.442 262 1HB ARG 35 1HB ARG 35 0.542 9.876 -1.194 263 2HB ARG 35 2HB ARG 35 1.230 10.877 0.071 264 1HG ARG 35 1HG ARG 35 -1.024 12.021 -1.484 265 2HG ARG 35 2HG ARG 35 -1.405 10.738 -0.354 266 1HD ARG 35 1HD ARG 35 0.160 13.201 0.385 267 2HD ARG 35 2HD ARG 35 -1.573 13.054 0.600 268 HE ARG 35 HE ARG 35 -0.500 10.832 1.864 269 1HH1 ARG 35 1HH2 ARG 35 -0.179 14.291 2.231 270 2HH1 ARG 35 2HH2 ARG 35 0.198 14.173 3.936 271 1HH2 ARG 35 1HH1 ARG 35 -0.001 10.725 4.035 272 2HH2 ARG 35 2HH1 ARG 35 0.297 12.194 4.937 273 H GLN 36 H GLN 36 3.656 11.043 -0.893 274 HA GLN 36 HA GLN 36 4.228 13.509 0.461 275 1HB GLN 36 1HB GLN 36 4.971 10.800 0.757 276 2HB GLN 36 2HB GLN 36 6.444 11.694 0.440 277 1HG GLN 36 1HG GLN 36 5.222 13.371 2.186 278 2HG GLN 36 2HG GLN 36 4.622 11.830 2.761 279 1HE2 GLN 36 2HE2 GLN 36 5.969 10.451 3.868 280 2HE2 GLN 36 1HE2 GLN 36 7.649 10.808 4.201 281 H SER 37 H SER 37 6.870 13.844 0.276 282 HA SER 37 HA SER 37 7.124 15.002 -2.399 283 1HB SER 37 1HB SER 37 8.426 15.354 0.231 284 2HB SER 37 2HB SER 37 9.425 15.652 -1.177 285 HG SER 37 HG SER 37 8.293 17.530 -0.492 286 H SER 38 H SER 38 9.301 13.079 -0.289 287 HA SER 38 HA SER 38 9.938 11.292 -2.510 288 1HB SER 38 1HB SER 38 11.436 13.377 -2.726 289 2HB SER 38 2HB SER 38 12.214 12.805 -1.265 290 HG SER 38 HG SER 38 13.242 12.022 -3.169 291 H SER 39 H SER 39 8.921 9.845 -1.002 292 HA SER 39 HA SER 39 9.475 9.388 1.620 293 1HB SER 39 1HB SER 39 7.890 8.049 0.444 294 2HB SER 39 2HB SER 39 9.153 7.331 -0.536 295 HG SER 39 HG SER 39 8.483 5.962 1.172 296 H ARG 40 H ARG 40 10.927 7.969 2.828 297 HA ARG 40 HA ARG 40 13.270 6.902 1.551 298 1HB ARG 40 1HB ARG 40 13.614 9.479 1.691 299 2HB ARG 40 2HB ARG 40 13.853 9.186 3.402 300 1HG ARG 40 1HG ARG 40 15.379 7.233 2.087 301 2HG ARG 40 2HG ARG 40 15.672 8.722 1.213 302 1HD ARG 40 1HD ARG 40 17.144 9.239 2.822 303 2HD ARG 40 2HD ARG 40 15.765 9.489 3.873 304 HE ARG 40 HE ARG 40 16.184 6.796 4.030 305 1HH1 ARG 40 1HH2 ARG 40 18.302 9.531 4.503 306 2HH1 ARG 40 2HH2 ARG 40 19.294 8.685 5.668 307 1HH2 ARG 40 1HH1 ARG 40 17.472 5.755 5.538 308 2HH2 ARG 40 2HH1 ARG 40 18.835 6.596 6.241 309 H ARG 41 H ARG 41 13.769 5.173 2.719 310 HA ARG 41 HA ARG 41 12.492 4.308 4.981 311 1HB ARG 41 1HB ARG 41 14.242 3.120 3.514 312 2HB ARG 41 2HB ARG 41 15.424 3.801 4.613 313 1HG ARG 41 1HG ARG 41 15.008 2.131 6.058 314 2HG ARG 41 2HG ARG 41 13.358 2.700 6.208 315 1HD ARG 41 1HD ARG 41 13.284 1.376 3.817 316 2HD ARG 41 2HD ARG 41 14.418 0.404 4.733 317 HE ARG 41 HE ARG 41 12.354 0.768 6.483 318 1HH1 ARG 41 1HH2 ARG 41 12.396 -0.314 3.157 319 2HH1 ARG 41 2HH2 ARG 41 10.997 -1.341 3.373 320 1HH2 ARG 41 1HH1 ARG 41 10.588 -0.588 6.723 321 2HH2 ARG 41 2HH1 ARG 41 9.995 -1.493 5.349 322 H SER 42 H SER 42 12.491 4.709 7.120 323 HA SER 42 HA SER 42 13.865 7.032 8.067 324 1HB SER 42 1HB SER 42 12.753 6.658 10.122 325 2HB SER 42 2HB SER 42 11.629 6.207 8.856 326 HG SER 42 HG SER 42 11.716 4.647 10.547 327 H THR 43 H THR 43 14.490 6.088 10.706 328 HA THR 43 HA THR 43 17.179 5.283 10.404 329 HB THR 43 HB THR 43 16.608 6.469 12.339 330 HG1 THR 43 1HG THR 43 17.199 4.973 13.965 331 1HG2 THR 43 1HG2 THR 43 14.180 5.934 12.477 332 2HG2 THR 43 2HG2 THR 43 14.610 4.283 13.044 333 3HG2 THR 43 3HG2 THR 43 15.014 5.714 14.055 334 H GLY 44 H GLY 44 18.254 3.388 10.593 335 1HA GLY 44 1HA GLY 44 17.937 1.015 11.532 336 2HA GLY 44 2HA GLY 44 16.597 0.940 10.405 337 H GLU 45 H GLU 45 19.718 0.102 10.839 338 HA GLU 45 HA GLU 45 20.772 0.596 8.207 339 1HB GLU 45 1HB GLU 45 21.589 -1.090 10.528 340 2HB GLU 45 2HB GLU 45 22.338 -1.358 8.966 341 1HG GLU 45 1HG GLU 45 22.968 1.016 8.863 342 2HG GLU 45 2HG GLU 45 22.221 1.282 10.425 343 H GLU 46 H GLU 46 18.228 -1.327 9.090 344 HA GLU 46 HA GLU 46 18.679 -3.698 7.639 345 1HB GLU 46 1HB GLU 46 16.414 -4.158 8.036 346 2HB GLU 46 2HB GLU 46 17.014 -3.306 9.444 347 1HG GLU 46 1HG GLU 46 15.300 -1.882 9.232 348 2HG GLU 46 2HG GLU 46 16.018 -1.314 7.739 349 H VAL 47 H VAL 47 19.704 -2.197 5.791 350 HA VAL 47 HA VAL 47 17.776 -2.124 3.628 351 HB VAL 47 HB VAL 47 19.282 0.363 4.389 352 1HG1 VAL 47 1HG1 VAL 47 19.023 0.053 1.956 353 2HG1 VAL 47 2HG1 VAL 47 17.259 -0.209 2.187 354 3HG1 VAL 47 3HG1 VAL 47 17.985 1.397 2.548 355 1HG2 VAL 47 1HG2 VAL 47 16.302 -0.221 4.512 356 2HG2 VAL 47 2HG2 VAL 47 17.390 -0.026 5.929 357 3HG2 VAL 47 3HG2 VAL 47 17.078 1.368 4.838 358 H LEU 48 H LEU 48 19.553 -4.016 3.813 359 HA LEU 48 HA LEU 48 21.586 -3.271 1.837 360 1HB LEU 48 1HB LEU 48 22.626 -4.884 4.083 361 2HB LEU 48 2HB LEU 48 23.466 -3.793 3.001 362 HG LEU 48 HG LEU 48 21.622 -2.801 5.126 363 1HD1 LEU 48 1HD1 LEU 48 23.273 -4.187 6.242 364 2HD1 LEU 48 2HD1 LEU 48 24.587 -3.320 5.374 365 3HD1 LEU 48 3HD1 LEU 48 23.572 -2.445 6.573 366 1HD2 LEU 48 1HD2 LEU 48 23.926 -1.503 3.650 367 2HD2 LEU 48 2HD2 LEU 48 22.176 -1.199 3.371 368 3HD2 LEU 48 3HD2 LEU 48 22.933 -0.728 4.933 369 H ARG 49 H ARG 49 19.383 -4.520 1.184 370 HA ARG 49 HA ARG 49 18.894 -7.157 1.498 371 1HB ARG 49 1HB ARG 49 18.073 -5.360 -0.304 372 2HB ARG 49 2HB ARG 49 19.111 -6.326 -1.334 373 1HG ARG 49 1HG ARG 49 17.414 -7.777 -1.530 374 2HG ARG 49 2HG ARG 49 17.670 -8.188 0.154 375 1HD ARG 49 1HD ARG 49 16.187 -6.017 0.519 376 2HD ARG 49 2HD ARG 49 15.601 -6.455 -1.073 377 HE ARG 49 HE ARG 49 15.131 -7.865 1.423 378 1HH1 ARG 49 1HH2 ARG 49 15.191 -8.199 -2.062 379 2HH1 ARG 49 2HH2 ARG 49 14.124 -9.587 -2.042 380 1HH2 ARG 49 1HH1 ARG 49 13.769 -9.636 1.397 381 2HH2 ARG 49 2HH1 ARG 49 13.338 -10.382 -0.125 382 H MET 50 H MET 50 19.898 -9.043 1.319 383 HA MET 50 HA MET 50 22.591 -9.375 0.795 384 1HB MET 50 1HB MET 50 20.270 -11.063 1.074 385 2HB MET 50 2HB MET 50 21.388 -11.728 -0.100 386 1HG MET 50 1HG MET 50 22.268 -10.772 2.599 387 2HG MET 50 2HG MET 50 21.750 -12.420 2.306 388 1HE MET 50 1HE MET 50 24.658 -10.557 3.001 389 2HE MET 50 2HE MET 50 24.443 -12.264 3.528 390 3HE MET 50 3HE MET 50 25.853 -11.807 2.510 391 HA PRO 51 HA PRO 51 21.737 -10.391 -3.740 392 1HB PRO 51 1HB PRO 51 19.241 -9.906 -4.794 393 2HB PRO 51 2HB PRO 51 19.802 -11.465 -4.223 394 1HG PRO 51 1HG PRO 51 17.889 -9.621 -2.971 395 2HG PRO 51 2HG PRO 51 18.138 -11.327 -2.661 396 1HD PRO 51 1HD PRO 51 19.068 -9.153 -1.110 397 2HD PRO 51 2HD PRO 51 19.430 -10.852 -0.879 398 H GLY 52 H GLY 52 19.687 -7.659 -2.706 399 1HA GLY 52 1HA GLY 52 19.483 -5.533 -3.548 400 2HA GLY 52 2HA GLY 52 21.218 -5.544 -3.305 401 H ASP 53 H ASP 53 18.620 -6.076 -5.626 402 HA ASP 53 HA ASP 53 20.244 -5.004 -7.769 403 1HB ASP 53 1HB ASP 53 20.876 -7.537 -7.444 404 2HB ASP 53 2HB ASP 53 19.352 -7.806 -8.266 405 H GLU 54 H GLU 54 17.593 -7.346 -7.320 406 HA GLU 54 HA GLU 54 15.985 -6.223 -9.402 407 1HB GLU 54 1HB GLU 54 14.238 -7.788 -8.415 408 2HB GLU 54 2HB GLU 54 15.686 -8.513 -9.085 409 1HG GLU 54 1HG GLU 54 15.866 -7.877 -6.223 410 2HG GLU 54 2HG GLU 54 14.672 -9.095 -6.622 411 H ASN 55 H ASN 55 16.396 -4.022 -8.102 412 HA ASN 55 HA ASN 55 13.902 -3.222 -6.942 413 1HB ASN 55 1HB ASN 55 16.344 -2.907 -5.269 414 2HB ASN 55 2HB ASN 55 14.669 -2.647 -4.822 415 1HD2 ASN 55 2HD2 ASN 55 13.340 -4.415 -4.264 416 2HD2 ASN 55 1HD2 ASN 55 14.066 -5.930 -3.777 417 H GLN 56 H GLN 56 13.610 -1.353 -7.991 418 HA GLN 56 HA GLN 56 15.370 0.067 -9.493 419 1HB GLN 56 1HB GLN 56 12.777 0.421 -8.603 420 2HB GLN 56 2HB GLN 56 13.606 1.862 -8.050 421 1HG GLN 56 1HG GLN 56 13.770 0.811 -10.862 422 2HG GLN 56 2HG GLN 56 12.632 2.042 -10.349 423 1HE2 GLN 56 2HE2 GLN 56 14.164 2.777 -12.362 424 2HE2 GLN 56 1HE2 GLN 56 15.443 3.856 -11.854 425 H GLN 57 H GLN 57 17.399 0.642 -8.976 426 HA GLN 57 HA GLN 57 17.783 2.216 -6.514 427 1HB GLN 57 1HB GLN 57 18.758 -0.431 -6.854 428 2HB GLN 57 2HB GLN 57 20.122 0.668 -6.888 429 1HG GLN 57 1HG GLN 57 18.133 1.267 -4.820 430 2HG GLN 57 2HG GLN 57 18.949 -0.269 -4.613 431 1HE2 GLN 57 2HE2 GLN 57 20.802 -0.222 -3.484 432 2HE2 GLN 57 1HE2 GLN 57 21.827 1.183 -3.296 433 H GLN 58 H GLN 58 17.904 4.076 -7.664 434 HA GLN 58 HA GLN 58 20.436 4.831 -8.608 435 1HB GLN 58 1HB GLN 58 19.147 3.319 -10.548 436 2HB GLN 58 2HB GLN 58 18.854 4.974 -11.042 437 1HG GLN 58 1HG GLN 58 21.195 5.465 -11.049 438 2HG GLN 58 2HG GLN 58 21.575 3.933 -10.288 439 1HE2 GLN 58 2HE2 GLN 58 21.129 1.939 -11.510 440 2HE2 GLN 58 1HE2 GLN 58 21.182 1.991 -13.258 441 H GLU 59 H GLU 59 17.249 5.512 -10.015 442 HA GLU 59 HA GLU 59 17.369 8.225 -8.841 443 1HB GLU 59 1HB GLU 59 16.729 7.403 -11.634 444 2HB GLU 59 2HB GLU 59 16.053 8.875 -10.967 445 1HG GLU 59 1HG GLU 59 18.718 9.028 -10.256 446 2HG GLU 59 2HG GLU 59 18.773 8.324 -11.859 447 H SER 60 H SER 60 16.070 5.611 -8.041 448 HA SER 60 HA SER 60 13.578 6.756 -7.189 449 1HB SER 60 1HB SER 60 13.510 5.512 -9.690 450 2HB SER 60 2HB SER 60 12.873 4.323 -8.571 451 HG SER 60 HG SER 60 11.248 5.721 -9.383 452 H GLN 61 H GLN 61 15.895 5.790 -5.879 453 HA GLN 61 HA GLN 61 15.768 3.120 -5.056 454 1HB GLN 61 1HB GLN 61 16.963 3.806 -3.097 455 2HB GLN 61 2HB GLN 61 17.542 4.731 -4.467 456 1HG GLN 61 1HG GLN 61 15.608 6.384 -3.615 457 2HG GLN 61 2HG GLN 61 16.017 5.621 -2.092 458 1HE2 GLN 61 2HE2 GLN 61 16.414 8.203 -2.078 459 2HE2 GLN 61 1HE2 GLN 61 18.106 8.611 -2.250 460 H GLN 62 H GLN 62 13.525 5.671 -4.393 461 HA GLN 62 HA GLN 62 12.356 4.527 -2.062 462 1HB GLN 62 1HB GLN 62 11.936 6.730 -3.872 463 2HB GLN 62 2HB GLN 62 10.421 5.965 -3.435 464 1HG GLN 62 1HG GLN 62 12.511 7.058 -1.595 465 2HG GLN 62 2HG GLN 62 10.874 7.643 -1.819 466 1HE2 GLN 62 2HE2 GLN 62 9.424 5.252 -1.806 467 2HE2 GLN 62 1HE2 GLN 62 9.581 4.513 -0.228 468 H LEU 63 H LEU 63 11.712 4.170 -5.552 469 HA LEU 63 HA LEU 63 9.357 2.665 -5.396 470 1HB LEU 63 1HB LEU 63 11.454 3.172 -7.329 471 2HB LEU 63 2HB LEU 63 10.800 1.552 -7.473 472 HG LEU 63 HG LEU 63 8.558 2.488 -7.664 473 1HD1 LEU 63 1HD1 LEU 63 8.875 4.553 -6.383 474 2HD1 LEU 63 2HD1 LEU 63 9.974 5.169 -7.665 475 3HD1 LEU 63 3HD1 LEU 63 8.233 4.901 -8.026 476 1HD2 LEU 63 1HD2 LEU 63 10.544 3.661 -9.626 477 2HD2 LEU 63 2HD2 LEU 63 9.830 2.012 -9.697 478 3HD2 LEU 63 3HD2 LEU 63 8.781 3.456 -9.912 479 H GLN 64 H GLN 64 12.713 1.693 -4.797 480 HA GLN 64 HA GLN 64 12.278 -1.092 -4.702 481 1HB GLN 64 1HB GLN 64 14.499 -0.421 -4.728 482 2HB GLN 64 2HB GLN 64 14.265 0.726 -3.425 483 1HG GLN 64 1HG GLN 64 14.212 -0.948 -1.798 484 2HG GLN 64 2HG GLN 64 13.910 -2.208 -2.979 485 1HE2 GLN 64 2HE2 GLN 64 15.723 -3.053 -1.462 486 2HE2 GLN 64 1HE2 GLN 64 17.340 -2.824 -2.086 487 H GLN 65 H GLN 65 11.491 1.435 -2.410 488 HA GLN 65 HA GLN 65 11.042 -0.312 -0.192 489 1HB GLN 65 1HB GLN 65 10.926 2.493 -0.706 490 2HB GLN 65 2HB GLN 65 9.415 1.990 0.024 491 1HG GLN 65 1HG GLN 65 10.407 1.381 1.988 492 2HG GLN 65 2HG GLN 65 11.914 0.936 1.212 493 1HE2 GLN 65 2HE2 GLN 65 13.152 2.824 0.207 494 2HE2 GLN 65 1HE2 GLN 65 13.250 4.266 1.193 495 H CYS 66 H CYS 66 9.065 0.826 -2.921 496 HA CYS 66 HA CYS 66 6.626 -0.241 -1.833 497 1HB CYS 66 1HB CYS 66 6.463 1.489 -3.458 498 2HB CYS 66 2HB CYS 66 7.484 0.606 -4.576 499 H CYS 67 H CYS 67 9.064 -1.400 -4.277 500 HA CYS 67 HA CYS 67 7.740 -3.814 -4.860 501 1HB CYS 67 1HB CYS 67 9.745 -2.791 -5.986 502 2HB CYS 67 2HB CYS 67 10.701 -3.429 -4.663 503 H ASN 68 H ASN 68 10.356 -3.191 -2.455 504 HA ASN 68 HA ASN 68 10.270 -5.713 -1.219 505 1HB ASN 68 1HB ASN 68 11.090 -2.981 -0.371 506 2HB ASN 68 2HB ASN 68 10.973 -4.237 0.845 507 1HD2 ASN 68 2HD2 ASN 68 12.289 -3.690 -2.413 508 2HD2 ASN 68 1HD2 ASN 68 13.757 -4.606 -2.156 509 H GLN 69 H GLN 69 8.210 -2.891 -0.791 510 HA GLN 69 HA GLN 69 6.884 -3.815 1.564 511 1HB GLN 69 1HB GLN 69 6.419 -1.676 -0.433 512 2HB GLN 69 2HB GLN 69 5.102 -2.132 0.630 513 1HG GLN 69 1HG GLN 69 7.725 -1.753 1.916 514 2HG GLN 69 2HG GLN 69 6.976 -0.306 1.273 515 1HE2 GLN 69 2HE2 GLN 69 7.371 -0.203 3.836 516 2HE2 GLN 69 1HE2 GLN 69 5.902 -0.490 4.743 517 H VAL 70 H VAL 70 6.008 -3.909 -1.871 518 HA VAL 70 HA VAL 70 3.537 -5.284 -1.492 519 HB VAL 70 HB VAL 70 5.176 -5.237 -4.000 520 1HG1 VAL 70 1HG1 VAL 70 3.145 -6.594 -3.953 521 2HG1 VAL 70 2HG1 VAL 70 2.213 -5.157 -3.404 522 3HG1 VAL 70 3HG1 VAL 70 2.954 -5.177 -5.042 523 1HG2 VAL 70 1HG2 VAL 70 3.338 -3.027 -3.015 524 2HG2 VAL 70 2HG2 VAL 70 5.125 -2.905 -3.159 525 3HG2 VAL 70 3HG2 VAL 70 4.117 -3.114 -4.633 526 H LYS 71 H LYS 71 6.905 -6.188 -1.746 527 HA LYS 71 HA LYS 71 6.395 -8.958 -2.314 528 1HB LYS 71 1HB LYS 71 8.554 -7.491 -2.619 529 2HB LYS 71 2HB LYS 71 8.890 -8.039 -0.989 530 1HG LYS 71 1HG LYS 71 9.886 -9.706 -2.237 531 2HG LYS 71 2HG LYS 71 8.296 -10.387 -1.962 532 1HD LYS 71 1HD LYS 71 8.563 -8.710 -4.381 533 2HD LYS 71 2HD LYS 71 9.444 -10.225 -4.409 534 1HE LYS 71 1HE LYS 71 7.043 -11.051 -3.437 535 2HE LYS 71 2HE LYS 71 6.539 -9.739 -4.483 536 1HZ LYS 71 1HZ LYS 71 7.749 -10.760 -6.267 537 2HZ LYS 71 2HZ LYS 71 8.225 -12.001 -5.278 538 3HZ LYS 71 3HZ LYS 71 6.624 -11.812 -5.657 539 H GLN 72 H GLN 72 6.198 -6.990 0.485 540 HA GLN 72 HA GLN 72 6.323 -9.274 2.296 541 1HB GLN 72 1HB GLN 72 6.144 -6.320 2.598 542 2HB GLN 72 2HB GLN 72 5.725 -7.362 3.943 543 1HG GLN 72 1HG GLN 72 8.260 -7.937 2.542 544 2HG GLN 72 2HG GLN 72 8.206 -6.486 3.522 545 1HE2 GLN 72 2HE2 GLN 72 9.643 -9.119 3.827 546 2HE2 GLN 72 1HE2 GLN 72 9.214 -9.675 5.430 547 H VAL 73 H VAL 73 3.992 -7.717 0.379 548 HA VAL 73 HA VAL 73 1.714 -8.072 2.040 549 HB VAL 73 HB VAL 73 2.150 -6.666 -0.126 550 1HG1 VAL 73 1HG1 VAL 73 2.407 -8.571 -1.659 551 2HG1 VAL 73 2HG1 VAL 73 0.760 -9.134 -1.211 552 3HG1 VAL 73 3HG1 VAL 73 0.971 -7.574 -2.082 553 1HG2 VAL 73 1HG2 VAL 73 -0.517 -7.909 0.616 554 2HG2 VAL 73 2HG2 VAL 73 0.226 -6.457 1.373 555 3HG2 VAL 73 3HG2 VAL 73 -0.297 -6.405 -0.346 556 H ARG 74 H ARG 74 -0.166 -9.501 1.298 557 HA ARG 74 HA ARG 74 0.637 -12.218 1.542 558 1HB ARG 74 1HB ARG 74 -1.946 -10.830 1.040 559 2HB ARG 74 2HB ARG 74 -1.846 -12.572 0.875 560 1HG ARG 74 1HG ARG 74 -0.592 -11.524 3.308 561 2HG ARG 74 2HG ARG 74 -2.323 -11.262 3.224 562 1HD ARG 74 1HD ARG 74 -2.803 -13.488 3.365 563 2HD ARG 74 2HD ARG 74 -1.378 -13.956 2.459 564 HE ARG 74 HE ARG 74 -0.776 -12.895 5.087 565 1HH1 ARG 74 1HH2 ARG 74 -1.568 -15.805 3.317 566 2HH1 ARG 74 2HH2 ARG 74 -0.873 -16.848 4.537 567 1HH2 ARG 74 1HH1 ARG 74 0.092 -14.278 6.624 568 2HH2 ARG 74 2HH1 ARG 74 0.042 -16.007 6.360 569 H ASP 75 H ASP 75 -1.423 -11.031 -1.040 570 HA ASP 75 HA ASP 75 -0.118 -11.384 -3.357 571 1HB ASP 75 1HB ASP 75 0.801 -13.483 -2.956 572 2HB ASP 75 2HB ASP 75 -0.655 -14.072 -2.177 573 H GLU 76 H GLU 76 -2.920 -12.202 -1.473 574 HA GLU 76 HA GLU 76 -4.615 -11.956 -3.896 575 1HB GLU 76 1HB GLU 76 -4.623 -13.900 -1.815 576 2HB GLU 76 2HB GLU 76 -6.122 -12.995 -1.744 577 1HG GLU 76 1HG GLU 76 -6.868 -13.839 -3.715 578 2HG GLU 76 2HG GLU 76 -5.285 -13.751 -4.460 579 H CYS 77 H CYS 77 -3.512 -10.333 -1.239 580 HA CYS 77 HA CYS 77 -5.907 -8.620 -1.167 581 1HB CYS 77 1HB CYS 77 -3.774 -9.161 0.855 582 2HB CYS 77 2HB CYS 77 -4.936 -7.858 1.000 583 H GLN 78 H GLN 78 -2.917 -8.896 -2.605 584 HA GLN 78 HA GLN 78 -1.741 -6.363 -2.231 585 1HB GLN 78 1HB GLN 78 -0.443 -6.939 -4.102 586 2HB GLN 78 2HB GLN 78 -0.845 -8.472 -3.357 587 1HG GLN 78 1HG GLN 78 -2.664 -8.780 -5.005 588 2HG GLN 78 2HG GLN 78 -2.214 -7.267 -5.765 589 1HE2 GLN 78 2HE2 GLN 78 -0.651 -10.265 -4.642 590 2HE2 GLN 78 1HE2 GLN 78 0.417 -10.423 -6.019 591 H CYS 79 H CYS 79 -4.331 -7.478 -4.447 592 HA CYS 79 HA CYS 79 -4.412 -4.975 -5.857 593 1HB CYS 79 1HB CYS 79 -5.282 -6.506 -7.225 594 2HB CYS 79 2HB CYS 79 -5.823 -7.522 -5.904 595 H GLU 80 H GLU 80 -6.711 -6.652 -3.681 596 HA GLU 80 HA GLU 80 -8.437 -4.498 -3.258 597 1HB GLU 80 1HB GLU 80 -9.077 -6.625 -2.479 598 2HB GLU 80 2HB GLU 80 -7.606 -6.813 -1.544 599 1HG GLU 80 1HG GLU 80 -8.365 -5.511 0.173 600 2HG GLU 80 2HG GLU 80 -9.352 -4.515 -0.877 601 H ALA 81 H ALA 81 -5.215 -4.983 -2.050 602 HA ALA 81 HA ALA 81 -5.247 -3.062 0.033 603 1HB ALA 81 1HB ALA 81 -3.534 -4.761 -0.267 604 2HB ALA 81 2HB ALA 81 -3.068 -4.012 -1.832 605 3HB ALA 81 3HB ALA 81 -2.810 -3.116 -0.295 606 H ILE 82 H ILE 82 -4.434 -2.727 -3.448 607 HA ILE 82 HA ILE 82 -3.871 0.015 -3.398 608 HB ILE 82 HB ILE 82 -4.752 -1.905 -5.462 609 1HG1 ILE 82 1HG1 ILE 82 -2.429 -1.758 -4.700 610 2HG1 ILE 82 2HG1 ILE 82 -2.623 -1.426 -6.409 611 1HG2 ILE 82 1HG2 ILE 82 -5.997 0.103 -6.070 612 2HG2 ILE 82 2HG2 ILE 82 -4.484 1.067 -5.952 613 3HG2 ILE 82 3HG2 ILE 82 -4.646 -0.201 -7.217 614 1HD1 ILE 82 1HD1 ILE 82 -2.466 0.999 -5.981 615 2HD1 ILE 82 2HD1 ILE 82 -2.265 0.659 -4.226 616 3HD1 ILE 82 3HD1 ILE 82 -1.007 0.126 -5.394 617 H LYS 83 H LYS 83 -6.962 -1.688 -3.432 618 HA LYS 83 HA LYS 83 -8.505 0.665 -4.024 619 1HB LYS 83 1HB LYS 83 -9.101 -2.111 -3.118 620 2HB LYS 83 2HB LYS 83 -10.354 -0.895 -2.988 621 1HG LYS 83 1HG LYS 83 -10.401 -2.186 -5.142 622 2HG LYS 83 2HG LYS 83 -10.272 -0.451 -5.348 623 1HD LYS 83 1HD LYS 83 -7.828 -0.706 -5.659 624 2HD LYS 83 2HD LYS 83 -8.022 -2.444 -5.551 625 1HE LYS 83 1HE LYS 83 -8.661 -2.593 -7.679 626 2HE LYS 83 2HE LYS 83 -9.801 -1.274 -7.505 627 1HZ LYS 83 1HZ LYS 83 -7.988 0.263 -7.764 628 2HZ LYS 83 2HZ LYS 83 -6.911 -0.984 -7.928 629 3HZ LYS 83 3HZ LYS 83 -8.080 -0.745 -9.075 630 H TYR 84 H TYR 84 -6.756 -0.291 -1.346 631 HA TYR 84 HA TYR 84 -8.348 1.187 0.606 632 1HB TYR 84 1HB TYR 84 -7.544 -0.528 1.786 633 2HB TYR 84 2HB TYR 84 -6.362 -0.918 0.552 634 HD1 TYR 84 1HD TYR 84 -4.147 -0.864 1.113 635 HD2 TYR 84 2HD TYR 84 -6.896 1.729 3.145 636 HE1 TYR 84 1HE TYR 84 -2.272 -0.016 2.503 637 HE2 TYR 84 2HE TYR 84 -5.022 2.602 4.544 638 HH TYR 84 HH TYR 84 -2.845 2.460 5.021 639 H ILE 85 H ILE 85 -4.943 1.106 -0.539 640 HA ILE 85 HA ILE 85 -4.358 3.559 0.803 641 HB ILE 85 HB ILE 85 -2.756 1.746 0.354 642 1HG1 ILE 85 1HG1 ILE 85 -0.872 3.206 -0.083 643 2HG1 ILE 85 2HG1 ILE 85 -1.959 4.441 -0.684 644 1HG2 ILE 85 1HG2 ILE 85 -3.401 1.166 -1.914 645 2HG2 ILE 85 2HG2 ILE 85 -2.861 2.781 -2.487 646 3HG2 ILE 85 3HG2 ILE 85 -1.660 1.607 -1.846 647 1HD1 ILE 85 1HD1 ILE 85 -3.019 4.616 1.526 648 2HD1 ILE 85 2HD1 ILE 85 -1.903 3.349 2.143 649 3HD1 ILE 85 3HD1 ILE 85 -1.252 4.937 1.610 650 H ALA 86 H ALA 86 -4.748 2.657 -2.616 651 HA ALA 86 HA ALA 86 -4.736 5.376 -3.525 652 1HB ALA 86 1HB ALA 86 -3.864 3.567 -4.898 653 2HB ALA 86 2HB ALA 86 -5.481 2.782 -4.885 654 3HB ALA 86 3HB ALA 86 -5.259 4.366 -5.703 655 H GLU 87 H GLU 87 -6.510 5.370 -1.572 656 HA GLU 87 HA GLU 87 -8.879 6.314 -2.786 657 1HB GLU 87 1HB GLU 87 -9.036 3.700 -2.828 658 2HB GLU 87 2HB GLU 87 -9.450 3.911 -1.139 659 1HG GLU 87 1HG GLU 87 -11.279 5.375 -1.711 660 2HG GLU 87 2HG GLU 87 -10.803 5.379 -3.397 661 H ASP 88 H ASP 88 -7.493 4.878 0.173 662 HA ASP 88 HA ASP 88 -9.123 6.366 2.003 663 1HB ASP 88 1HB ASP 88 -7.975 4.348 2.715 664 2HB ASP 88 2HB ASP 88 -6.424 5.055 2.307 665 H GLN 89 H GLN 89 -5.860 6.758 0.624 666 HA GLN 89 HA GLN 89 -5.334 9.194 1.998 667 1HB GLN 89 1HB GLN 89 -3.432 9.399 0.612 668 2HB GLN 89 2HB GLN 89 -3.615 7.689 0.945 669 1HG GLN 89 1HG GLN 89 -3.820 7.206 -1.226 670 2HG GLN 89 2HG GLN 89 -5.046 8.438 -1.448 671 1HE2 GLN 89 2HE2 GLN 89 -4.469 10.505 -2.165 672 2HE2 GLN 89 1HE2 GLN 89 -2.866 10.858 -2.767 673 H ILE 90 H ILE 90 -7.297 8.442 -0.802 674 HA ILE 90 HA ILE 90 -7.136 10.948 -2.097 675 HB ILE 90 HB ILE 90 -9.347 8.939 -2.093 676 1HG1 ILE 90 1HG1 ILE 90 -7.303 7.812 -2.656 677 2HG1 ILE 90 2HG1 ILE 90 -8.285 8.001 -4.094 678 1HG2 ILE 90 1HG2 ILE 90 -10.009 11.069 -2.998 679 2HG2 ILE 90 2HG2 ILE 90 -8.567 11.067 -4.072 680 3HG2 ILE 90 3HG2 ILE 90 -9.864 9.843 -4.305 681 1HD1 ILE 90 1HD1 ILE 90 -6.932 9.921 -4.793 682 2HD1 ILE 90 2HD1 ILE 90 -5.924 9.727 -3.317 683 3HD1 ILE 90 3HD1 ILE 90 -5.930 8.444 -4.577 684 H GLN 91 H GLN 91 -9.387 9.587 0.293 685 HA GLN 91 HA GLN 91 -10.749 12.115 0.567 686 1HB GLN 91 1HB GLN 91 -10.939 9.423 1.731 687 2HB GLN 91 2HB GLN 91 -11.520 10.745 2.724 688 1HG GLN 91 1HG GLN 91 -12.500 11.235 0.139 689 2HG GLN 91 2HG GLN 91 -12.752 9.526 0.428 690 1HE2 GLN 91 2HE2 GLN 91 -15.053 10.010 0.348 691 2HE2 GLN 91 1HE2 GLN 91 -15.847 10.742 1.724 692 H GLN 92 H GLN 92 -8.028 10.544 2.134 693 HA GLN 92 HA GLN 92 -8.072 12.266 4.439 694 1HB GLN 92 1HB GLN 92 -6.963 9.895 4.014 695 2HB GLN 92 2HB GLN 92 -5.591 10.886 3.558 696 1HG GLN 92 1HG GLN 92 -7.083 11.274 6.137 697 2HG GLN 92 2HG GLN 92 -5.712 10.192 5.998 698 1HE2 GLN 92 2HE2 GLN 92 -6.784 13.485 6.176 699 2HE2 GLN 92 1HE2 GLN 92 -5.201 14.228 6.237 700 H GLY 93 H GLY 93 -5.936 12.050 1.601 701 1HA GLY 93 1HA GLY 93 -4.611 14.514 2.047 702 2HA GLY 93 2HA GLY 93 -4.611 13.564 0.574 703 H GLN 94 H GLN 94 -4.529 15.970 -0.098 704 HA GLN 94 HA GLN 94 -7.169 17.201 -0.253 705 1HB GLN 94 1HB GLN 94 -4.472 18.089 -0.445 706 2HB GLN 94 2HB GLN 94 -5.343 18.585 -1.881 707 1HG GLN 94 1HG GLN 94 -6.899 19.830 -0.662 708 2HG GLN 94 2HG GLN 94 -6.580 18.954 0.822 709 1HE2 GLN 94 2HE2 GLN 94 -4.370 19.200 1.758 710 2HE2 GLN 94 1HE2 GLN 94 -3.599 20.765 1.628 711 H LEU 95 H LEU 95 -7.126 14.662 -1.440 712 HA LEU 95 HA LEU 95 -7.001 15.177 -4.311 713 1HB LEU 95 1HB LEU 95 -7.724 12.621 -2.975 714 2HB LEU 95 2HB LEU 95 -7.186 12.867 -4.624 715 HG LEU 95 HG LEU 95 -5.374 11.918 -3.554 716 1HD1 LEU 95 1HD1 LEU 95 -4.687 13.882 -4.847 717 2HD1 LEU 95 2HD1 LEU 95 -4.902 14.904 -3.384 718 3HD1 LEU 95 3HD1 LEU 95 -3.628 13.635 -3.416 719 1HD2 LEU 95 1HD2 LEU 95 -5.766 13.869 -1.295 720 2HD2 LEU 95 2HD2 LEU 95 -6.146 12.113 -1.264 721 3HD2 LEU 95 3HD2 LEU 95 -4.442 12.661 -1.431 722 H HIS 96 H HIS 96 -9.024 16.305 -2.308 723 HA HIS 96 HA HIS 96 -11.536 15.253 -3.264 724 1HB HIS 96 1HB HIS 96 -10.701 17.467 -1.454 725 2HB HIS 96 2HB HIS 96 -12.369 17.302 -1.966 726 HD1 HIS 96 1HD HIS 96 -13.798 15.470 -0.802 727 HD2 HIS 96 2HD HIS 96 -9.665 15.343 0.068 728 HE1 HIS 96 1HE HIS 96 -13.522 13.787 1.130 729 HE2 HIS 96 2HE HIS 96 -11.008 13.760 1.663 730 H GLY 97 H GLY 97 -13.217 16.995 -3.979 731 1HA GLY 97 1HA GLY 97 -13.808 18.732 -5.427 732 2HA GLY 97 2HA GLY 97 -12.120 18.993 -5.814 733 H GLU 98 H GLU 98 -11.051 17.458 -7.236 734 HA GLU 98 HA GLU 98 -12.464 15.453 -8.669 735 1HB GLU 98 1HB GLU 98 -13.626 17.495 -9.566 736 2HB GLU 98 2HB GLU 98 -12.094 17.969 -10.272 737 1HG GLU 98 1HG GLU 98 -12.062 16.123 -11.728 738 2HG GLU 98 2HG GLU 98 -13.259 15.252 -10.792 739 H GLU 99 H GLU 99 -9.943 15.925 -7.332 740 HA GLU 99 HA GLU 99 -8.105 15.438 -9.612 741 1HB GLU 99 1HB GLU 99 -6.317 16.484 -8.344 742 2HB GLU 99 2HB GLU 99 -7.644 17.607 -8.570 743 1HG GLU 99 1HG GLU 99 -8.454 16.776 -6.266 744 2HG GLU 99 2HG GLU 99 -6.827 16.153 -6.084 745 H SER 100 H SER 100 -9.813 13.622 -7.945 746 HA SER 100 HA SER 100 -7.870 12.114 -6.375 747 1HB SER 100 1HB SER 100 -9.910 11.894 -5.389 748 2HB SER 100 2HB SER 100 -10.774 12.026 -6.908 749 HG SER 100 HG SER 100 -10.842 9.900 -6.044 750 H GLU 101 H GLU 101 -9.437 11.960 -9.531 751 HA GLU 101 HA GLU 101 -8.560 9.300 -10.146 752 1HB GLU 101 1HB GLU 101 -9.507 9.641 -12.226 753 2HB GLU 101 2HB GLU 101 -10.420 10.752 -11.225 754 1HG GLU 101 1HG GLU 101 -9.916 12.142 -12.985 755 2HG GLU 101 2HG GLU 101 -8.523 12.444 -11.966 756 H ARG 102 H ARG 102 -7.081 12.466 -10.294 757 HA ARG 102 HA ARG 102 -5.005 11.765 -12.154 758 1HB ARG 102 1HB ARG 102 -4.011 13.871 -11.556 759 2HB ARG 102 2HB ARG 102 -5.740 14.101 -11.711 760 1HG ARG 102 1HG ARG 102 -5.870 14.840 -9.632 761 2HG ARG 102 2HG ARG 102 -5.145 13.361 -9.034 762 1HD ARG 102 1HD ARG 102 -2.922 14.350 -9.477 763 2HD ARG 102 2HD ARG 102 -3.726 15.852 -9.884 764 HE ARG 102 HE ARG 102 -4.720 15.357 -7.416 765 1HH1 ARG 102 1HH2 ARG 102 -1.432 15.289 -8.608 766 2HH1 ARG 102 2HH2 ARG 102 -0.755 15.741 -7.060 767 1HH2 ARG 102 1HH1 ARG 102 -3.799 15.948 -5.447 768 2HH2 ARG 102 2HH1 ARG 102 -2.061 16.104 -5.317 769 H VAL 103 H VAL 103 -5.572 11.283 -8.762 770 HA VAL 103 HA VAL 103 -2.767 10.805 -8.147 771 HB VAL 103 HB VAL 103 -5.362 10.734 -6.692 772 1HG1 VAL 103 1HG1 VAL 103 -4.224 8.680 -5.979 773 2HG1 VAL 103 2HG1 VAL 103 -2.747 9.641 -5.623 774 3HG1 VAL 103 3HG1 VAL 103 -4.246 9.910 -4.669 775 1HG2 VAL 103 1HG2 VAL 103 -2.693 12.092 -6.203 776 2HG2 VAL 103 2HG2 VAL 103 -4.154 12.856 -6.919 777 3HG2 VAL 103 3HG2 VAL 103 -4.174 12.308 -5.207 778 H ALA 104 H ALA 104 -5.571 9.038 -9.249 779 HA ALA 104 HA ALA 104 -4.692 6.433 -8.510 780 1HB ALA 104 1HB ALA 104 -7.015 6.964 -9.123 781 2HB ALA 104 2HB ALA 104 -6.472 7.377 -10.787 782 3HB ALA 104 3HB ALA 104 -6.347 5.684 -10.194 783 H GLN 105 H GLN 105 -4.096 8.526 -11.317 784 HA GLN 105 HA GLN 105 -2.666 6.519 -12.790 785 1HB GLN 105 1HB GLN 105 -1.962 8.365 -14.216 786 2HB GLN 105 2HB GLN 105 -3.686 8.415 -13.905 787 1HG GLN 105 1HG GLN 105 -3.544 10.284 -12.623 788 2HG GLN 105 2HG GLN 105 -1.902 9.943 -12.116 789 1HE2 GLN 105 2HE2 GLN 105 -3.628 12.162 -13.631 790 2HE2 GLN 105 1HE2 GLN 105 -2.447 12.734 -14.788 791 H ARG 106 H ARG 106 -1.821 8.740 -10.236 792 HA ARG 106 HA ARG 106 0.973 8.885 -10.693 793 1HB ARG 106 1HB ARG 106 -0.871 9.389 -8.463 794 2HB ARG 106 2HB ARG 106 0.827 9.186 -8.083 795 1HG ARG 106 1HG ARG 106 0.105 11.061 -10.252 796 2HG ARG 106 2HG ARG 106 -0.199 11.551 -8.598 797 1HD ARG 106 1HD ARG 106 2.399 10.367 -8.751 798 2HD ARG 106 2HD ARG 106 2.262 11.593 -9.995 799 HE ARG 106 HE ARG 106 1.277 12.828 -7.736 800 1HH1 ARG 106 1HH2 ARG 106 4.293 11.211 -8.471 801 2HH1 ARG 106 2HH2 ARG 106 5.218 12.240 -7.400 802 1HH2 ARG 106 1HH1 ARG 106 2.491 14.140 -6.417 803 2HH2 ARG 106 2HH1 ARG 106 4.212 13.874 -6.253 804 H ALA 107 H ALA 107 -0.953 6.865 -8.432 805 HA ALA 107 HA ALA 107 1.181 5.359 -7.448 806 1HB ALA 107 1HB ALA 107 -1.098 5.361 -6.581 807 2HB ALA 107 2HB ALA 107 -1.645 4.534 -8.080 808 3HB ALA 107 3HB ALA 107 -0.528 3.696 -6.949 809 H GLY 108 H GLY 108 -0.807 4.886 -10.370 810 1HA GLY 108 1HA GLY 108 0.040 2.538 -11.414 811 2HA GLY 108 2HA GLY 108 -0.175 3.991 -12.369 812 H GLU 109 H GLU 109 2.021 5.443 -11.184 813 HA GLU 109 HA GLU 109 4.212 4.680 -12.721 814 1HB GLU 109 1HB GLU 109 4.139 6.304 -10.197 815 2HB GLU 109 2HB GLU 109 5.513 6.200 -11.279 816 1HG GLU 109 1HG GLU 109 4.075 7.067 -13.115 817 2HG GLU 109 2HG GLU 109 2.775 7.268 -11.960 818 H ILE 110 H ILE 110 3.696 4.130 -9.239 819 HA ILE 110 HA ILE 110 6.077 2.513 -9.004 820 HB ILE 110 HB ILE 110 3.858 2.619 -7.005 821 1HG1 ILE 110 1HG1 ILE 110 4.064 4.909 -7.234 822 2HG1 ILE 110 2HG1 ILE 110 5.287 4.574 -6.026 823 1HG2 ILE 110 1HG2 ILE 110 5.696 1.058 -6.596 824 2HG2 ILE 110 2HG2 ILE 110 6.876 2.400 -6.785 825 3HG2 ILE 110 3HG2 ILE 110 5.728 2.402 -5.402 826 1HD1 ILE 110 1HD1 ILE 110 7.039 4.567 -7.770 827 2HD1 ILE 110 2HD1 ILE 110 5.783 4.910 -9.010 828 3HD1 ILE 110 3HD1 ILE 110 6.148 6.128 -7.739 829 H VAL 111 H VAL 111 2.705 2.032 -9.667 830 HA VAL 111 HA VAL 111 2.518 -0.705 -9.144 831 HB VAL 111 HB VAL 111 1.196 1.001 -11.170 832 1HG1 VAL 111 1HG1 VAL 111 1.084 -1.257 -11.982 833 2HG1 VAL 111 2HG1 VAL 111 0.470 -1.809 -10.385 834 3HG1 VAL 111 3HG1 VAL 111 -0.527 -0.709 -11.398 835 1HG2 VAL 111 1HG2 VAL 111 0.292 0.030 -8.464 836 2HG2 VAL 111 2HG2 VAL 111 0.762 1.706 -8.914 837 3HG2 VAL 111 3HG2 VAL 111 -0.712 0.963 -9.627 838 H SER 112 H SER 112 3.155 0.842 -12.327 839 HA SER 112 HA SER 112 3.906 -1.527 -13.613 840 1HB SER 112 1HB SER 112 4.850 -0.159 -15.277 841 2HB SER 112 2HB SER 112 3.487 0.727 -14.625 842 HG SER 112 HG SER 112 5.342 2.040 -14.877 843 H SER 113 H SER 113 5.747 0.512 -11.415 844 HA SER 113 HA SER 113 8.318 -0.527 -11.984 845 1HB SER 113 1HB SER 113 8.436 1.371 -10.737 846 2HB SER 113 2HB SER 113 7.064 0.928 -9.741 847 HG SER 113 HG SER 113 9.057 0.807 -8.591 848 H CYS 114 H CYS 114 6.391 -1.178 -9.057 849 HA CYS 114 HA CYS 114 6.759 -4.035 -9.337 850 1HB CYS 114 1HB CYS 114 8.843 -2.819 -8.218 851 2HB CYS 114 2HB CYS 114 7.832 -3.000 -6.799 852 H GLY 115 H GLY 115 4.529 -2.340 -9.309 853 1HA GLY 115 1HA GLY 115 3.119 -3.273 -6.903 854 2HA GLY 115 2HA GLY 115 2.996 -1.601 -7.411 855 H VAL 116 H VAL 116 3.241 -4.329 -9.663 856 HA VAL 116 HA VAL 116 0.870 -3.526 -11.034 857 HB VAL 116 HB VAL 116 2.813 -5.755 -11.379 858 1HG1 VAL 116 1HG1 VAL 116 0.629 -6.645 -12.032 859 2HG1 VAL 116 2HG1 VAL 116 0.364 -5.198 -13.065 860 3HG1 VAL 116 3HG1 VAL 116 1.677 -6.358 -13.464 861 1HG2 VAL 116 1HG2 VAL 116 2.051 -3.358 -13.079 862 2HG2 VAL 116 2HG2 VAL 116 3.525 -3.504 -12.058 863 3HG2 VAL 116 3HG2 VAL 116 3.310 -4.576 -13.485 864 H ARG 117 H ARG 117 -0.459 -3.637 -8.953 865 HA ARG 117 HA ARG 117 -1.153 -6.405 -8.197 866 1HB ARG 117 1HB ARG 117 -1.562 -3.740 -6.923 867 2HB ARG 117 2HB ARG 117 -2.485 -5.142 -6.420 868 1HG ARG 117 1HG ARG 117 -0.650 -4.940 -4.986 869 2HG ARG 117 2HG ARG 117 -0.367 -6.312 -6.037 870 1HD ARG 117 1HD ARG 117 0.727 -3.769 -6.919 871 2HD ARG 117 2HD ARG 117 1.440 -4.467 -5.478 872 HE ARG 117 HE ARG 117 1.973 -5.250 -8.112 873 1HH1 ARG 117 1HH2 ARG 117 1.213 -6.850 -5.071 874 2HH1 ARG 117 2HH2 ARG 117 2.164 -8.254 -5.499 875 1HH2 ARG 117 1HH1 ARG 117 3.186 -7.057 -8.511 876 2HH2 ARG 117 2HH1 ARG 117 3.226 -8.363 -7.349 877 H CYS 118 H CYS 118 -3.366 -3.757 -7.773 878 HA CYS 118 HA CYS 118 -5.125 -4.918 -9.836 879 1HB CYS 118 1HB CYS 118 -5.566 -4.184 -7.182 880 2HB CYS 118 2HB CYS 118 -6.406 -3.003 -8.168 881 H MET 119 H MET 119 -2.932 -2.494 -9.444 882 HA MET 119 HA MET 119 -4.425 -0.491 -10.971 883 1HB MET 119 1HB MET 119 -2.370 -0.486 -9.042 884 2HB MET 119 2HB MET 119 -1.769 0.278 -10.500 885 1HG MET 119 1HG MET 119 -3.415 1.924 -10.457 886 2HG MET 119 2HG MET 119 -4.434 1.003 -9.369 887 1HE MET 119 1HE MET 119 -4.184 3.877 -8.673 888 2HE MET 119 2HE MET 119 -4.905 2.654 -7.571 889 3HE MET 119 3HE MET 119 -3.692 3.824 -6.944 890 H ARG 120 H ARG 120 -3.089 -3.209 -11.881 891 HA ARG 120 HA ARG 120 -2.427 -2.233 -14.523 892 1HB ARG 120 1HB ARG 120 -0.285 -1.920 -13.505 893 2HB ARG 120 2HB ARG 120 -0.352 -3.507 -12.765 894 1HG ARG 120 1HG ARG 120 0.375 -4.524 -14.621 895 2HG ARG 120 2HG ARG 120 -0.690 -3.586 -15.651 896 1HD ARG 120 1HD ARG 120 1.045 -1.678 -15.139 897 2HD ARG 120 2HD ARG 120 2.108 -3.034 -14.825 898 HE ARG 120 HE ARG 120 2.251 -3.404 -17.084 899 1HH1 ARG 120 1HH2 ARG 120 -0.616 -1.489 -16.446 900 2HH1 ARG 120 2HH2 ARG 120 -0.992 -1.311 -18.145 901 1HH2 ARG 120 1HH1 ARG 120 1.714 -3.167 -19.237 902 2HH2 ARG 120 2HH1 ARG 120 0.300 -2.241 -19.691 903 H GLN 121 H GLN 121 -2.440 -4.923 -12.234 904 HA GLN 121 HA GLN 121 -3.648 -6.574 -14.341 905 1HB GLN 121 1HB GLN 121 -1.086 -6.913 -13.269 906 2HB GLN 121 2HB GLN 121 -2.089 -8.226 -12.687 907 1HG GLN 121 1HG GLN 121 -2.226 -9.179 -14.698 908 2HG GLN 121 2HG GLN 121 -2.408 -7.643 -15.522 909 1HE2 GLN 121 2HE2 GLN 121 -1.037 -8.515 -17.174 910 2HE2 GLN 121 1HE2 GLN 121 0.694 -8.351 -16.978 911 H THR 122 H THR 122 -3.988 -8.874 -12.893 912 HA THR 122 HA THR 122 -6.112 -8.087 -11.054 913 HB THR 122 HB THR 122 -6.715 -10.451 -11.244 914 HG1 THR 122 1HG THR 122 -5.414 -11.718 -12.632 915 1HG2 THR 122 1HG2 THR 122 -7.496 -8.897 -13.013 916 2HG2 THR 122 2HG2 THR 122 -5.985 -9.231 -13.930 917 3HG2 THR 122 3HG2 THR 122 -7.179 -10.547 -13.657 918 H ARG 123 H ARG 123 -6.208 -10.249 -9.353 919 HA ARG 123 HA ARG 123 -4.812 -9.584 -7.143 920 1HB ARG 123 1HB ARG 123 -5.826 -12.192 -8.115 921 2HB ARG 123 2HB ARG 123 -4.811 -12.176 -6.687 922 1HG ARG 123 1HG ARG 123 -6.421 -11.254 -5.412 923 2HG ARG 123 2HG ARG 123 -6.910 -10.141 -6.675 924 1HD ARG 123 1HD ARG 123 -7.527 -13.035 -7.012 925 2HD ARG 123 2HD ARG 123 -8.507 -12.097 -5.903 926 HE ARG 123 HE ARG 123 -8.277 -10.696 -8.370 927 1HH1 ARG 123 1HH2 ARG 123 -9.847 -13.528 -7.045 928 2HH1 ARG 123 2HH2 ARG 123 -11.171 -13.447 -8.186 929 1HH2 ARG 123 1HH1 ARG 123 -10.001 -10.626 -9.802 930 2HH2 ARG 123 2HH1 ARG 123 -11.257 -11.840 -9.712 931 H THR 124 H THR 124 -3.671 -12.651 -8.387 932 HA THR 124 HA THR 124 -1.012 -12.186 -7.576 933 HB THR 124 HB THR 124 -1.739 -14.427 -7.635 934 HG1 THR 124 1HG THR 124 -0.309 -15.359 -9.169 935 1HG2 THR 124 1HG2 THR 124 -3.627 -14.168 -9.250 936 2HG2 THR 124 2HG2 THR 124 -2.430 -14.034 -10.584 937 3HG2 THR 124 3HG2 THR 124 -2.583 -15.572 -9.666 938 H ASN 125 H ASN 125 -0.337 -10.211 -8.510 939 HA ASN 125 HA ASN 125 0.042 -8.736 -10.282 940 1HB ASN 125 1HB ASN 125 1.715 -11.118 -10.201 941 2HB ASN 125 2HB ASN 125 1.809 -10.270 -11.731 942 1HD2 ASN 125 2HD2 ASN 125 3.557 -10.687 -9.176 943 2HD2 ASN 125 1HD2 ASN 125 4.170 -9.072 -8.906 Start of MODEL 6 1 1H ALA 1 1H ALA 1 -25.597 27.140 -5.433 2 2H ALA 1 2H ALA 1 -24.931 25.667 -5.071 3 3H ALA 1 3H ALA 1 -24.183 26.670 -6.157 4 HA ALA 1 HA ALA 1 -26.023 26.480 -7.648 5 1HB ALA 1 1HB ALA 1 -24.110 24.966 -7.934 6 2HB ALA 1 2HB ALA 1 -24.857 23.818 -6.768 7 3HB ALA 1 3HB ALA 1 -25.656 24.143 -8.346 8 H GLU 2 H GLU 2 -26.257 24.011 -5.072 9 HA GLU 2 HA GLU 2 -29.008 24.668 -4.526 10 1HB GLU 2 1HB GLU 2 -28.417 22.569 -6.488 11 2HB GLU 2 2HB GLU 2 -29.476 22.060 -5.188 12 1HG GLU 2 1HG GLU 2 -30.247 24.673 -6.132 13 2HG GLU 2 2HG GLU 2 -30.182 23.543 -7.471 14 H PHE 3 H PHE 3 -26.770 21.877 -4.498 15 HA PHE 3 HA PHE 3 -26.368 21.916 -1.679 16 1HB PHE 3 1HB PHE 3 -28.681 21.277 -1.533 17 2HB PHE 3 2HB PHE 3 -28.460 20.046 -2.760 18 HD1 PHE 3 1HD PHE 3 -27.459 17.900 -2.260 19 HD2 PHE 3 2HD PHE 3 -27.904 20.957 0.759 20 HE1 PHE 3 1HE PHE 3 -26.931 16.214 -0.476 21 HE2 PHE 3 2HE PHE 3 -27.426 19.256 2.542 22 HZ PHE 3 HZ PHE 3 -26.948 16.903 1.910 23 H MET 4 H MET 4 -25.037 20.169 -0.963 24 HA MET 4 HA MET 4 -24.379 17.920 -2.566 25 1HB MET 4 1HB MET 4 -22.145 18.563 -3.293 26 2HB MET 4 2HB MET 4 -23.339 19.637 -3.994 27 1HG MET 4 1HG MET 4 -22.834 21.194 -2.029 28 2HG MET 4 2HG MET 4 -21.421 20.196 -1.757 29 1HE MET 4 1HE MET 4 -19.252 20.549 -2.711 30 2HE MET 4 2HE MET 4 -19.910 19.462 -3.984 31 3HE MET 4 3HE MET 4 -18.978 20.929 -4.448 32 H GLU 5 H GLU 5 -23.620 16.441 -1.187 33 HA GLU 5 HA GLU 5 -21.528 16.862 0.644 34 1HB GLU 5 1HB GLU 5 -24.022 17.833 1.637 35 2HB GLU 5 2HB GLU 5 -23.598 16.390 2.536 36 1HG GLU 5 1HG GLU 5 -21.599 17.312 3.323 37 2HG GLU 5 2HG GLU 5 -21.521 18.492 2.030 38 H SER 6 H SER 6 -21.243 14.988 2.116 39 HA SER 6 HA SER 6 -22.807 12.687 2.129 40 1HB SER 6 1HB SER 6 -21.719 13.035 -0.444 41 2HB SER 6 2HB SER 6 -20.770 11.775 0.318 42 HG SER 6 HG SER 6 -22.630 10.950 -0.744 43 H LYS 7 H LYS 7 -22.051 12.108 4.077 44 HA LYS 7 HA LYS 7 -19.435 10.956 4.304 45 1HB LYS 7 1HB LYS 7 -19.030 13.490 4.456 46 2HB LYS 7 2HB LYS 7 -19.827 13.395 6.014 47 1HG LYS 7 1HG LYS 7 -18.192 11.700 6.742 48 2HG LYS 7 2HG LYS 7 -17.390 11.812 5.189 49 1HD LYS 7 1HD LYS 7 -16.726 14.069 5.595 50 2HD LYS 7 2HD LYS 7 -17.769 14.190 6.998 51 1HE LYS 7 1HE LYS 7 -16.200 13.305 8.344 52 2HE LYS 7 2HE LYS 7 -15.915 11.974 7.241 53 1HZ LYS 7 1HZ LYS 7 -14.500 13.404 5.959 54 2HZ LYS 7 2HZ LYS 7 -14.770 14.661 7.001 55 3HZ LYS 7 3HZ LYS 7 -13.964 13.312 7.523 56 H GLY 8 H GLY 8 -19.505 9.404 5.797 57 1HA GLY 8 1HA GLY 8 -21.414 9.612 8.035 58 2HA GLY 8 2HA GLY 8 -21.593 8.262 6.933 59 H GLU 9 H GLU 9 -20.494 6.468 7.339 60 HA GLU 9 HA GLU 9 -17.842 6.460 8.408 61 1HB GLU 9 1HB GLU 9 -19.692 6.825 10.381 62 2HB GLU 9 2HB GLU 9 -19.529 5.081 10.360 63 1HG GLU 9 1HG GLU 9 -17.509 5.189 11.339 64 2HG GLU 9 2HG GLU 9 -16.941 6.353 10.158 65 H ARG 10 H ARG 10 -16.841 4.494 8.168 66 HA ARG 10 HA ARG 10 -18.153 2.585 6.488 67 1HB ARG 10 1HB ARG 10 -15.506 3.124 7.380 68 2HB ARG 10 2HB ARG 10 -15.847 1.425 7.635 69 1HG ARG 10 1HG ARG 10 -14.948 1.724 5.406 70 2HG ARG 10 2HG ARG 10 -16.636 1.268 5.288 71 1HD ARG 10 1HD ARG 10 -17.001 3.885 5.258 72 2HD ARG 10 2HD ARG 10 -15.342 3.892 4.695 73 HE ARG 10 HE ARG 10 -17.686 3.060 3.214 74 1HH1 ARG 10 1HH2 ARG 10 -14.220 2.652 3.486 75 2HH1 ARG 10 2HH2 ARG 10 -14.061 2.085 1.838 76 1HH2 ARG 10 1HH1 ARG 10 -17.430 2.302 1.116 77 2HH2 ARG 10 2HH1 ARG 10 -15.833 1.893 0.530 78 H GLU 11 H GLU 11 -18.025 0.201 7.003 79 HA GLU 11 HA GLU 11 -18.596 -0.422 9.807 80 1HB GLU 11 1HB GLU 11 -20.687 0.040 8.026 81 2HB GLU 11 2HB GLU 11 -20.602 -1.701 8.201 82 1HG GLU 11 1HG GLU 11 -21.076 -1.633 10.466 83 2HG GLU 11 2HG GLU 11 -20.421 -0.019 10.659 84 H GLY 12 H GLY 12 -16.416 -0.994 7.973 85 1HA GLY 12 1HA GLY 12 -15.035 -2.871 7.793 86 2HA GLY 12 2HA GLY 12 -16.362 -3.899 8.296 87 H SER 13 H SER 13 -14.363 -3.792 5.964 88 HA SER 13 HA SER 13 -16.017 -5.002 4.013 89 1HB SER 13 1HB SER 13 -15.773 -3.275 2.210 90 2HB SER 13 2HB SER 13 -16.926 -2.881 3.469 91 HG SER 13 HG SER 13 -15.579 -1.099 2.925 92 H SER 14 H SER 14 -14.074 -6.264 4.737 93 HA SER 14 HA SER 14 -12.158 -6.240 2.601 94 1HB SER 14 1HB SER 14 -10.182 -6.034 4.162 95 2HB SER 14 2HB SER 14 -11.016 -4.556 3.727 96 HG SER 14 HG SER 14 -10.503 -4.652 5.949 97 H SER 15 H SER 15 -10.291 -7.877 3.222 98 HA SER 15 HA SER 15 -11.460 -10.390 3.669 99 1HB SER 15 1HB SER 15 -9.100 -9.626 2.728 100 2HB SER 15 2HB SER 15 -8.603 -9.993 4.367 101 HG SER 15 HG SER 15 -8.444 -11.807 2.975 102 H GLN 16 H GLN 16 -10.023 -11.807 5.510 103 HA GLN 16 HA GLN 16 -11.428 -11.631 7.841 104 1HB GLN 16 1HB GLN 16 -9.854 -13.422 7.288 105 2HB GLN 16 2HB GLN 16 -8.514 -12.337 7.603 106 1HG GLN 16 1HG GLN 16 -9.465 -12.023 9.928 107 2HG GLN 16 2HG GLN 16 -10.563 -13.341 9.571 108 1HE2 GLN 16 2HE2 GLN 16 -9.418 -14.155 11.563 109 2HE2 GLN 16 1HE2 GLN 16 -7.956 -15.084 11.312 110 H GLN 17 H GLN 17 -8.210 -10.130 7.394 111 HA GLN 17 HA GLN 17 -8.935 -7.673 8.591 112 1HB GLN 17 1HB GLN 17 -8.719 -9.583 10.505 113 2HB GLN 17 2HB GLN 17 -7.085 -8.953 10.473 114 1HG GLN 17 1HG GLN 17 -7.702 -6.988 11.387 115 2HG GLN 17 2HG GLN 17 -9.132 -6.871 10.383 116 1HE2 GLN 17 2HE2 GLN 17 -9.743 -5.918 12.620 117 2HE2 GLN 17 1HE2 GLN 17 -10.524 -7.038 13.712 118 H CYS 18 H CYS 18 -7.643 -8.545 6.276 119 HA CYS 18 HA CYS 18 -4.807 -8.314 6.532 120 1HB CYS 18 1HB CYS 18 -6.718 -8.596 4.428 121 2HB CYS 18 2HB CYS 18 -5.569 -7.335 4.029 122 H ARG 19 H ARG 19 -7.458 -5.946 6.122 123 HA ARG 19 HA ARG 19 -6.228 -3.646 5.412 124 1HB ARG 19 1HB ARG 19 -8.564 -4.283 6.703 125 2HB ARG 19 2HB ARG 19 -7.741 -3.284 7.881 126 1HG ARG 19 1HG ARG 19 -7.937 -1.420 6.632 127 2HG ARG 19 2HG ARG 19 -7.655 -2.279 5.131 128 1HD ARG 19 1HD ARG 19 -10.086 -3.224 5.754 129 2HD ARG 19 2HD ARG 19 -10.179 -1.638 6.493 130 HE ARG 19 HE ARG 19 -10.397 -0.719 4.408 131 1HH1 ARG 19 1HH2 ARG 19 -8.819 -3.834 4.003 132 2HH1 ARG 19 2HH2 ARG 19 -8.849 -3.717 2.259 133 1HH2 ARG 19 1HH1 ARG 19 -10.416 -0.643 2.187 134 2HH2 ARG 19 2HH1 ARG 19 -9.730 -1.956 1.257 135 H GLN 20 H GLN 20 -5.736 -5.281 8.501 136 HA GLN 20 HA GLN 20 -4.131 -3.235 9.670 137 1HB GLN 20 1HB GLN 20 -5.377 -5.129 10.837 138 2HB GLN 20 2HB GLN 20 -4.058 -6.161 10.323 139 1HG GLN 20 1HG GLN 20 -2.645 -4.101 11.340 140 2HG GLN 20 2HG GLN 20 -4.078 -3.989 12.341 141 1HE2 GLN 20 2HE2 GLN 20 -1.429 -6.089 11.317 142 2HE2 GLN 20 1HE2 GLN 20 -1.516 -7.181 12.681 143 H GLU 21 H GLU 21 -3.027 -6.543 8.788 144 HA GLU 21 HA GLU 21 -0.332 -5.820 8.647 145 1HB GLU 21 1HB GLU 21 -1.516 -7.998 7.004 146 2HB GLU 21 2HB GLU 21 0.058 -7.931 7.769 147 1HG GLU 21 1HG GLU 21 -1.373 -7.769 9.965 148 2HG GLU 21 2HG GLU 21 -2.601 -8.519 8.964 149 H VAL 22 H VAL 22 -2.810 -5.319 6.360 150 HA VAL 22 HA VAL 22 -1.380 -5.028 3.983 151 HB VAL 22 HB VAL 22 -3.975 -3.967 4.987 152 1HG1 VAL 22 1HG1 VAL 22 -3.094 -2.245 3.511 153 2HG1 VAL 22 2HG1 VAL 22 -2.788 -3.495 2.255 154 3HG1 VAL 22 3HG1 VAL 22 -4.474 -3.118 2.757 155 1HG2 VAL 22 1HG2 VAL 22 -3.273 -5.872 2.736 156 2HG2 VAL 22 2HG2 VAL 22 -3.916 -6.337 4.349 157 3HG2 VAL 22 3HG2 VAL 22 -4.933 -5.379 3.219 158 H GLN 23 H GLN 23 -2.262 -2.665 6.512 159 HA GLN 23 HA GLN 23 -0.727 -0.616 5.158 160 1HB GLN 23 1HB GLN 23 -1.141 0.688 7.222 161 2HB GLN 23 2HB GLN 23 -2.576 0.107 6.402 162 1HG GLN 23 1HG GLN 23 -2.941 -1.564 8.007 163 2HG GLN 23 2HG GLN 23 -1.342 -1.356 8.694 164 1HE2 GLN 23 2HE2 GLN 23 -3.644 -1.436 10.256 165 2HE2 GLN 23 1HE2 GLN 23 -3.873 0.146 10.966 166 H ARG 24 H ARG 24 0.771 -3.022 5.744 167 HA ARG 24 HA ARG 24 2.971 -1.828 7.278 168 1HB ARG 24 1HB ARG 24 2.308 -4.672 7.818 169 2HB ARG 24 2HB ARG 24 3.207 -3.531 8.800 170 1HG ARG 24 1HG ARG 24 0.900 -2.322 8.975 171 2HG ARG 24 2HG ARG 24 0.266 -3.897 8.543 172 1HD ARG 24 1HD ARG 24 1.980 -3.252 10.910 173 2HD ARG 24 2HD ARG 24 0.271 -3.636 10.928 174 HE ARG 24 HE ARG 24 1.238 -5.840 9.756 175 1HH1 ARG 24 1HH2 ARG 24 2.335 -4.136 12.600 176 2HH1 ARG 24 2HH2 ARG 24 2.994 -5.582 13.330 177 1HH2 ARG 24 1HH1 ARG 24 2.099 -7.652 10.701 178 2HH2 ARG 24 2HH1 ARG 24 2.863 -7.543 12.271 179 H LYS 25 H LYS 25 1.813 -4.586 5.384 180 HA LYS 25 HA LYS 25 4.495 -4.773 4.162 181 1HB LYS 25 1HB LYS 25 4.166 -7.061 3.842 182 2HB LYS 25 2HB LYS 25 3.679 -6.714 5.489 183 1HG LYS 25 1HG LYS 25 1.325 -6.668 4.730 184 2HG LYS 25 2HG LYS 25 1.867 -7.154 3.136 185 1HD LYS 25 1HD LYS 25 1.561 -9.236 3.796 186 2HD LYS 25 2HD LYS 25 2.972 -9.031 4.813 187 1HE LYS 25 1HE LYS 25 1.681 -8.532 6.688 188 2HE LYS 25 2HE LYS 25 0.246 -8.248 5.725 189 1HZ LYS 25 1HZ LYS 25 0.225 -10.557 5.161 190 2HZ LYS 25 2HZ LYS 25 1.582 -10.826 6.071 191 3HZ LYS 25 3HZ LYS 25 0.172 -10.362 6.805 192 H ASP 26 H ASP 26 1.030 -5.136 3.454 193 HA ASP 26 HA ASP 26 1.240 -5.243 0.653 194 1HB ASP 26 1HB ASP 26 -0.955 -4.145 2.362 195 2HB ASP 26 2HB ASP 26 -1.086 -4.492 0.649 196 H LEU 27 H LEU 27 -0.106 -3.286 -0.589 197 HA LEU 27 HA LEU 27 1.605 -1.255 -1.030 198 1HB LEU 27 1HB LEU 27 -1.360 -1.312 -1.082 199 2HB LEU 27 2HB LEU 27 -0.470 0.117 -1.564 200 HG LEU 27 HG LEU 27 -0.875 -0.949 -3.532 201 1HD1 LEU 27 1HD1 LEU 27 1.478 -0.420 -3.450 202 2HD1 LEU 27 2HD1 LEU 27 1.814 -2.037 -2.739 203 3HD1 LEU 27 3HD1 LEU 27 1.176 -1.906 -4.414 204 1HD2 LEU 27 1HD2 LEU 27 -0.174 -3.572 -2.245 205 2HD2 LEU 27 2HD2 LEU 27 -1.816 -2.988 -2.686 206 3HD2 LEU 27 3HD2 LEU 27 -0.609 -3.332 -3.973 207 H SER 28 H SER 28 2.753 -0.322 0.566 208 HA SER 28 HA SER 28 1.361 1.379 2.492 209 1HB SER 28 1HB SER 28 1.706 -1.017 3.527 210 2HB SER 28 2HB SER 28 3.353 -0.454 3.728 211 HG SER 28 HG SER 28 2.012 0.092 5.538 212 H SER 29 H SER 29 2.928 1.726 0.164 213 HA SER 29 HA SER 29 4.750 3.677 1.086 214 1HB SER 29 1HB SER 29 5.948 1.286 1.412 215 2HB SER 29 2HB SER 29 6.317 1.577 -0.276 216 HG SER 29 HG SER 29 7.904 2.480 1.137 217 H CYS 30 H CYS 30 3.686 1.437 -1.494 218 HA CYS 30 HA CYS 30 4.807 2.867 -3.659 219 1HB CYS 30 1HB CYS 30 2.193 1.409 -3.625 220 2HB CYS 30 2HB CYS 30 3.258 1.661 -4.994 221 H GLU 31 H GLU 31 1.398 2.924 -2.552 222 HA GLU 31 HA GLU 31 0.938 5.409 -3.969 223 1HB GLU 31 1HB GLU 31 -0.617 3.424 -2.577 224 2HB GLU 31 2HB GLU 31 -1.116 5.044 -2.136 225 1HG GLU 31 1HG GLU 31 -2.421 4.301 -4.004 226 2HG GLU 31 2HG GLU 31 -1.345 5.578 -4.533 227 H ARG 32 H ARG 32 1.774 4.455 -0.693 228 HA ARG 32 HA ARG 32 1.174 6.907 0.591 229 1HB ARG 32 1HB ARG 32 1.842 4.597 1.560 230 2HB ARG 32 2HB ARG 32 3.480 5.195 1.387 231 1HG ARG 32 1HG ARG 32 3.208 6.805 3.009 232 2HG ARG 32 2HG ARG 32 1.497 6.991 2.685 233 1HD ARG 32 1HD ARG 32 2.633 4.498 3.934 234 2HD ARG 32 2HD ARG 32 2.109 5.867 4.894 235 HE ARG 32 HE ARG 32 0.425 3.911 3.579 236 1HH1 ARG 32 1HH2 ARG 32 0.500 7.233 4.700 237 2HH1 ARG 32 2HH2 ARG 32 -1.243 7.340 4.794 238 1HH2 ARG 32 1HH1 ARG 32 -1.803 4.110 3.697 239 2HH2 ARG 32 2HH1 ARG 32 -2.518 5.612 4.238 240 H TYR 33 H TYR 33 4.049 5.758 -1.092 241 HA TYR 33 HA TYR 33 5.905 7.732 -0.535 242 1HB TYR 33 1HB TYR 33 6.623 5.895 -1.764 243 2HB TYR 33 2HB TYR 33 5.304 6.035 -2.910 244 HD1 TYR 33 1HD TYR 33 5.855 6.654 -5.058 245 HD2 TYR 33 2HD TYR 33 8.159 8.078 -1.692 246 HE1 TYR 33 1HE TYR 33 7.403 7.865 -6.633 247 HE2 TYR 33 2HE TYR 33 9.611 9.398 -3.258 248 HH TYR 33 HH TYR 33 10.138 9.791 -5.330 249 H LEU 34 H LEU 34 3.353 7.675 -3.021 250 HA LEU 34 HA LEU 34 4.045 10.292 -3.993 251 1HB LEU 34 1HB LEU 34 2.538 9.886 -5.599 252 2HB LEU 34 2HB LEU 34 2.766 8.240 -5.043 253 HG LEU 34 HG LEU 34 0.736 8.896 -3.481 254 1HD1 LEU 34 1HD1 LEU 34 0.510 11.199 -4.217 255 2HD1 LEU 34 2HD1 LEU 34 0.278 10.643 -5.912 256 3HD1 LEU 34 3HD1 LEU 34 -0.952 10.250 -4.660 257 1HD2 LEU 34 1HD2 LEU 34 0.474 8.010 -6.357 258 2HD2 LEU 34 2HD2 LEU 34 0.795 6.965 -4.930 259 3HD2 LEU 34 3HD2 LEU 34 -0.782 7.811 -5.087 260 H ARG 35 H ARG 35 1.986 9.032 -1.480 261 HA ARG 35 HA ARG 35 0.412 11.358 -1.052 262 1HB ARG 35 1HB ARG 35 0.599 8.786 0.053 263 2HB ARG 35 2HB ARG 35 0.845 9.911 1.373 264 1HG ARG 35 1HG ARG 35 -1.238 11.089 0.105 265 2HG ARG 35 2HG ARG 35 -1.567 9.403 -0.242 266 1HD ARG 35 1HD ARG 35 -2.690 9.937 1.803 267 2HD ARG 35 2HD ARG 35 -1.310 8.938 2.214 268 HE ARG 35 HE ARG 35 -0.327 10.730 3.325 269 1HH1 ARG 35 1HH2 ARG 35 -3.111 11.862 1.541 270 2HH1 ARG 35 2HH2 ARG 35 -3.064 13.448 2.278 271 1HH2 ARG 35 1HH1 ARG 35 -0.281 12.773 4.230 272 2HH2 ARG 35 2HH1 ARG 35 -1.487 13.956 3.776 273 H GLN 36 H GLN 36 3.465 10.198 0.316 274 HA GLN 36 HA GLN 36 3.738 12.508 2.029 275 1HB GLN 36 1HB GLN 36 4.782 9.931 1.992 276 2HB GLN 36 2HB GLN 36 6.152 10.972 1.667 277 1HG GLN 36 1HG GLN 36 4.937 12.355 3.659 278 2HG GLN 36 2HG GLN 36 4.521 10.713 4.109 279 1HE2 GLN 36 2HE2 GLN 36 6.011 12.139 5.831 280 2HE2 GLN 36 1HE2 GLN 36 7.674 11.596 5.825 281 H SER 37 H SER 37 6.434 13.089 1.840 282 HA SER 37 HA SER 37 6.421 14.778 -0.537 283 1HB SER 37 1HB SER 37 7.277 15.228 1.971 284 2HB SER 37 2HB SER 37 8.780 14.718 1.228 285 HG SER 37 HG SER 37 8.425 16.974 1.027 286 H SER 38 H SER 38 8.708 12.469 0.945 287 HA SER 38 HA SER 38 9.371 10.821 -1.057 288 1HB SER 38 1HB SER 38 11.439 11.976 -2.101 289 2HB SER 38 2HB SER 38 9.845 12.265 -2.772 290 HG SER 38 HG SER 38 11.052 14.200 -2.513 291 H SER 39 H SER 39 9.492 10.694 1.628 292 HA SER 39 HA SER 39 12.283 10.977 2.456 293 1HB SER 39 1HB SER 39 10.103 11.281 3.879 294 2HB SER 39 2HB SER 39 10.250 9.547 4.086 295 HG SER 39 HG SER 39 11.394 10.722 5.704 296 H ARG 40 H ARG 40 13.706 9.325 2.949 297 HA ARG 40 HA ARG 40 12.989 6.550 2.828 298 1HB ARG 40 1HB ARG 40 12.941 7.211 0.378 299 2HB ARG 40 2HB ARG 40 14.656 7.535 0.519 300 1HG ARG 40 1HG ARG 40 14.565 5.336 -0.290 301 2HG ARG 40 2HG ARG 40 14.835 5.138 1.429 302 1HD ARG 40 1HD ARG 40 12.007 5.263 0.603 303 2HD ARG 40 2HD ARG 40 12.885 3.846 0.063 304 HE ARG 40 HE ARG 40 12.063 4.455 2.771 305 1HH1 ARG 40 1HH2 ARG 40 14.523 2.796 0.906 306 2HH1 ARG 40 2HH2 ARG 40 14.895 1.690 2.210 307 1HH2 ARG 40 1HH1 ARG 40 12.572 3.013 4.391 308 2HH2 ARG 40 2HH1 ARG 40 13.817 1.810 4.134 309 H ARG 41 H ARG 41 14.361 5.606 4.182 310 HA ARG 41 HA ARG 41 17.178 5.782 3.931 311 1HB ARG 41 1HB ARG 41 16.391 8.079 5.032 312 2HB ARG 41 2HB ARG 41 16.363 7.096 6.482 313 1HG ARG 41 1HG ARG 41 18.761 6.439 5.183 314 2HG ARG 41 2HG ARG 41 18.636 8.183 5.071 315 1HD ARG 41 1HD ARG 41 19.787 7.602 7.118 316 2HD ARG 41 2HD ARG 41 18.217 8.273 7.512 317 HE ARG 41 HE ARG 41 18.032 5.431 7.314 318 1HH1 ARG 41 1HH2 ARG 41 19.268 7.902 9.452 319 2HH1 ARG 41 2HH2 ARG 41 19.124 6.885 10.869 320 1HH2 ARG 41 1HH1 ARG 41 17.865 4.163 9.143 321 2HH2 ARG 41 2HH1 ARG 41 18.345 4.806 10.697 322 H SER 42 H SER 42 17.995 3.954 4.875 323 HA SER 42 HA SER 42 16.904 2.943 7.346 324 1HB SER 42 1HB SER 42 16.236 0.749 6.444 325 2HB SER 42 2HB SER 42 15.181 2.056 5.945 326 HG SER 42 HG SER 42 15.646 0.610 4.250 327 H THR 43 H THR 43 18.837 2.797 8.250 328 HA THR 43 HA THR 43 20.719 0.874 7.059 329 HB THR 43 HB THR 43 21.779 3.537 7.918 330 HG1 THR 43 1HG THR 43 21.730 4.058 5.675 331 1HG2 THR 43 1HG2 THR 43 23.412 1.677 7.589 332 2HG2 THR 43 2HG2 THR 43 22.783 1.477 5.917 333 3HG2 THR 43 3HG2 THR 43 23.618 2.998 6.386 334 H GLY 44 H GLY 44 18.908 1.644 9.567 335 1HA GLY 44 1HA GLY 44 20.748 0.267 11.422 336 2HA GLY 44 2HA GLY 44 19.780 1.625 11.958 337 H GLU 45 H GLU 45 18.087 1.073 13.116 338 HA GLU 45 HA GLU 45 16.966 -1.618 12.859 339 1HB GLU 45 1HB GLU 45 16.008 -1.283 14.924 340 2HB GLU 45 2HB GLU 45 17.482 -0.342 15.024 341 1HG GLU 45 1HG GLU 45 15.845 1.561 14.104 342 2HG GLU 45 2HG GLU 45 14.663 0.566 14.930 343 H GLU 46 H GLU 46 16.642 0.444 10.697 344 HA GLU 46 HA GLU 46 13.825 1.082 10.777 345 1HB GLU 46 1HB GLU 46 15.989 2.185 9.565 346 2HB GLU 46 2HB GLU 46 15.226 1.348 8.228 347 1HG GLU 46 1HG GLU 46 13.233 2.685 9.812 348 2HG GLU 46 2HG GLU 46 14.484 3.823 9.355 349 H VAL 47 H VAL 47 13.316 0.619 7.996 350 HA VAL 47 HA VAL 47 12.381 -2.088 8.017 351 HB VAL 47 HB VAL 47 11.294 -0.012 7.040 352 1HG1 VAL 47 1HG1 VAL 47 13.111 0.789 5.602 353 2HG1 VAL 47 2HG1 VAL 47 13.032 -0.741 4.661 354 3HG1 VAL 47 3HG1 VAL 47 11.644 0.402 4.638 355 1HG2 VAL 47 1HG2 VAL 47 11.387 -2.613 5.488 356 2HG2 VAL 47 2HG2 VAL 47 10.343 -2.244 6.906 357 3HG2 VAL 47 3HG2 VAL 47 10.095 -1.368 5.356 358 H LEU 48 H LEU 48 14.997 -2.369 8.398 359 HA LEU 48 HA LEU 48 15.861 -3.562 5.851 360 1HB LEU 48 1HB LEU 48 17.960 -2.684 5.929 361 2HB LEU 48 2HB LEU 48 16.960 -1.352 6.472 362 HG LEU 48 HG LEU 48 17.576 -2.509 8.839 363 1HD1 LEU 48 1HD1 LEU 48 19.121 -4.160 7.828 364 2HD1 LEU 48 2HD1 LEU 48 20.053 -2.810 7.092 365 3HD1 LEU 48 3HD1 LEU 48 19.999 -2.997 8.880 366 1HD2 LEU 48 1HD2 LEU 48 19.173 -0.452 7.303 367 2HD2 LEU 48 2HD2 LEU 48 17.682 -0.145 8.260 368 3HD2 LEU 48 3HD2 LEU 48 19.189 -0.669 9.087 369 H ARG 49 H ARG 49 14.383 -4.676 8.066 370 HA ARG 49 HA ARG 49 16.407 -6.483 9.222 371 1HB ARG 49 1HB ARG 49 14.271 -5.138 10.372 372 2HB ARG 49 2HB ARG 49 13.790 -6.823 10.335 373 1HG ARG 49 1HG ARG 49 16.566 -6.226 11.200 374 2HG ARG 49 2HG ARG 49 15.278 -5.813 12.314 375 1HD ARG 49 1HD ARG 49 15.474 -7.957 12.997 376 2HD ARG 49 2HD ARG 49 14.539 -8.322 11.560 377 HE ARG 49 HE ARG 49 17.418 -8.213 11.129 378 1HH1 ARG 49 1HH2 ARG 49 14.737 -10.301 11.969 379 2HH1 ARG 49 2HH2 ARG 49 15.591 -11.747 11.479 380 1HH2 ARG 49 1HH1 ARG 49 18.463 -10.089 10.512 381 2HH2 ARG 49 2HH1 ARG 49 17.652 -11.631 10.674 382 H MET 50 H MET 50 15.504 -6.723 6.482 383 HA MET 50 HA MET 50 15.111 -9.413 6.094 384 1HB MET 50 1HB MET 50 12.723 -8.280 7.176 385 2HB MET 50 2HB MET 50 12.421 -8.733 5.510 386 1HG MET 50 1HG MET 50 12.724 -10.951 5.913 387 2HG MET 50 2HG MET 50 13.868 -10.669 7.211 388 1HE MET 50 1HE MET 50 10.737 -12.217 6.491 389 2HE MET 50 2HE MET 50 11.914 -12.918 7.656 390 3HE MET 50 3HE MET 50 10.244 -12.522 8.192 391 HA PRO 51 HA PRO 51 13.629 -7.154 2.225 392 1HB PRO 51 1HB PRO 51 13.020 -4.466 2.345 393 2HB PRO 51 2HB PRO 51 11.852 -5.767 2.454 394 1HG PRO 51 1HG PRO 51 12.858 -4.012 4.582 395 2HG PRO 51 2HG PRO 51 11.424 -5.018 4.574 396 1HD PRO 51 1HD PRO 51 13.899 -5.561 5.845 397 2HD PRO 51 2HD PRO 51 12.499 -6.609 5.750 398 H GLY 52 H GLY 52 15.898 -7.611 2.028 399 1HA GLY 52 1HA GLY 52 17.396 -5.494 0.896 400 2HA GLY 52 2HA GLY 52 17.953 -5.748 2.537 401 H ASP 53 H ASP 53 17.511 -7.232 -0.622 402 HA ASP 53 HA ASP 53 19.988 -8.637 -0.539 403 1HB ASP 53 1HB ASP 53 18.236 -9.952 1.027 404 2HB ASP 53 2HB ASP 53 17.769 -10.615 -0.527 405 H GLU 54 H GLU 54 16.674 -9.350 -1.666 406 HA GLU 54 HA GLU 54 17.673 -9.487 -4.444 407 1HB GLU 54 1HB GLU 54 15.722 -11.038 -2.932 408 2HB GLU 54 2HB GLU 54 15.131 -10.512 -4.495 409 1HG GLU 54 1HG GLU 54 17.832 -11.468 -4.747 410 2HG GLU 54 2HG GLU 54 16.843 -12.682 -3.962 411 H ASN 55 H ASN 55 17.746 -7.156 -4.421 412 HA ASN 55 HA ASN 55 15.093 -6.054 -5.117 413 1HB ASN 55 1HB ASN 55 15.741 -3.942 -4.101 414 2HB ASN 55 2HB ASN 55 15.772 -5.230 -2.913 415 1HD2 ASN 55 2HD2 ASN 55 17.727 -3.004 -4.822 416 2HD2 ASN 55 1HD2 ASN 55 19.213 -3.258 -3.935 417 H GLN 56 H GLN 56 15.006 -5.009 -7.033 418 HA GLN 56 HA GLN 56 17.476 -4.895 -8.587 419 1HB GLN 56 1HB GLN 56 14.595 -4.784 -9.121 420 2HB GLN 56 2HB GLN 56 15.583 -3.794 -10.176 421 1HG GLN 56 1HG GLN 56 16.955 -6.233 -9.944 422 2HG GLN 56 2HG GLN 56 15.270 -6.666 -10.153 423 1HE2 GLN 56 2HE2 GLN 56 14.108 -5.775 -12.005 424 2HE2 GLN 56 1HE2 GLN 56 14.995 -5.348 -13.452 425 H GLN 57 H GLN 57 18.450 -3.081 -9.430 426 HA GLN 57 HA GLN 57 17.539 -0.500 -8.304 427 1HB GLN 57 1HB GLN 57 19.669 -1.659 -7.291 428 2HB GLN 57 2HB GLN 57 20.439 -0.991 -8.716 429 1HG GLN 57 1HG GLN 57 18.661 0.827 -7.197 430 2HG GLN 57 2HG GLN 57 20.174 0.392 -6.427 431 1HE2 GLN 57 2HE2 GLN 57 18.724 2.636 -8.364 432 2HE2 GLN 57 1HE2 GLN 57 20.135 3.266 -9.182 433 H GLN 58 H GLN 58 16.825 0.723 -9.899 434 HA GLN 58 HA GLN 58 18.328 0.643 -12.463 435 1HB GLN 58 1HB GLN 58 15.393 0.961 -11.938 436 2HB GLN 58 2HB GLN 58 16.125 1.404 -13.468 437 1HG GLN 58 1HG GLN 58 16.991 -1.225 -12.653 438 2HG GLN 58 2HG GLN 58 15.241 -1.140 -12.702 439 1HE2 GLN 58 2HE2 GLN 58 14.300 -0.078 -14.691 440 2HE2 GLN 58 1HE2 GLN 58 15.066 -0.444 -16.221 441 H GLU 59 H GLU 59 15.831 2.828 -11.226 442 HA GLU 59 HA GLU 59 17.737 4.972 -10.832 443 1HB GLU 59 1HB GLU 59 16.825 6.479 -12.514 444 2HB GLU 59 2HB GLU 59 17.578 5.073 -13.239 445 1HG GLU 59 1HG GLU 59 15.636 4.357 -14.153 446 2HG GLU 59 2HG GLU 59 14.707 4.756 -12.721 447 H SER 60 H SER 60 15.971 3.709 -9.094 448 HA SER 60 HA SER 60 14.550 5.953 -8.039 449 1HB SER 60 1HB SER 60 13.022 3.947 -9.613 450 2HB SER 60 2HB SER 60 12.306 4.579 -8.143 451 HG SER 60 HG SER 60 11.702 5.756 -9.988 452 H GLN 61 H GLN 61 15.928 5.302 -6.307 453 HA GLN 61 HA GLN 61 15.735 2.714 -5.111 454 1HB GLN 61 1HB GLN 61 16.854 3.742 -3.207 455 2HB GLN 61 2HB GLN 61 17.606 4.238 -4.711 456 1HG GLN 61 1HG GLN 61 16.459 6.377 -4.627 457 2HG GLN 61 2HG GLN 61 15.572 5.881 -3.199 458 1HE2 GLN 61 2HE2 GLN 61 16.629 5.741 -1.189 459 2HE2 GLN 61 1HE2 GLN 61 18.193 6.481 -0.926 460 H GLN 62 H GLN 62 13.624 5.460 -5.050 461 HA GLN 62 HA GLN 62 12.353 4.888 -2.541 462 1HB GLN 62 1HB GLN 62 12.125 6.818 -4.651 463 2HB GLN 62 2HB GLN 62 10.537 6.207 -4.232 464 1HG GLN 62 1HG GLN 62 10.597 7.639 -2.498 465 2HG GLN 62 2HG GLN 62 11.742 6.528 -1.774 466 1HE2 GLN 62 2HE2 GLN 62 12.131 8.766 -0.719 467 2HE2 GLN 62 1HE2 GLN 62 13.449 9.671 -1.428 468 H LEU 63 H LEU 63 11.751 3.997 -5.918 469 HA LEU 63 HA LEU 63 9.273 2.648 -5.420 470 1HB LEU 63 1HB LEU 63 11.189 2.946 -7.638 471 2HB LEU 63 2HB LEU 63 10.251 1.465 -7.652 472 HG LEU 63 HG LEU 63 8.196 2.706 -7.655 473 1HD1 LEU 63 1HD1 LEU 63 8.867 4.598 -6.232 474 2HD1 LEU 63 2HD1 LEU 63 9.916 5.206 -7.560 475 3HD1 LEU 63 3HD1 LEU 63 8.131 5.166 -7.771 476 1HD2 LEU 63 1HD2 LEU 63 10.172 3.821 -9.658 477 2HD2 LEU 63 2HD2 LEU 63 9.262 2.277 -9.808 478 3HD2 LEU 63 3HD2 LEU 63 8.381 3.845 -9.826 479 H GLN 64 H GLN 64 12.678 1.737 -5.208 480 HA GLN 64 HA GLN 64 12.412 -1.045 -5.120 481 1HB GLN 64 1HB GLN 64 14.584 -0.232 -5.168 482 2HB GLN 64 2HB GLN 64 14.300 0.870 -3.835 483 1HG GLN 64 1HG GLN 64 14.551 -0.768 -2.246 484 2HG GLN 64 2HG GLN 64 14.019 -2.043 -3.324 485 1HE2 GLN 64 2HE2 GLN 64 16.361 -1.822 -1.556 486 2HE2 GLN 64 1HE2 GLN 64 17.734 -2.110 -2.601 487 H GLN 65 H GLN 65 11.639 1.386 -2.695 488 HA GLN 65 HA GLN 65 11.276 -0.484 -0.560 489 1HB GLN 65 1HB GLN 65 11.351 2.260 -0.784 490 2HB GLN 65 2HB GLN 65 9.664 1.940 -0.430 491 1HG GLN 65 1HG GLN 65 11.942 0.749 1.140 492 2HG GLN 65 2HG GLN 65 11.134 2.236 1.597 493 1HE2 GLN 65 2HE2 GLN 65 8.801 2.143 1.943 494 2HE2 GLN 65 1HE2 GLN 65 8.130 0.691 2.653 495 H CYS 66 H CYS 66 9.204 0.731 -3.164 496 HA CYS 66 HA CYS 66 6.790 -0.401 -2.105 497 1HB CYS 66 1HB CYS 66 6.515 1.336 -3.654 498 2HB CYS 66 2HB CYS 66 7.653 0.621 -4.777 499 H CYS 67 H CYS 67 9.169 -1.478 -4.618 500 HA CYS 67 HA CYS 67 7.846 -3.894 -5.215 501 1HB CYS 67 1HB CYS 67 9.987 -2.692 -6.189 502 2HB CYS 67 2HB CYS 67 10.792 -3.848 -5.148 503 H ASN 68 H ASN 68 10.522 -3.296 -2.903 504 HA ASN 68 HA ASN 68 10.514 -5.843 -1.706 505 1HB ASN 68 1HB ASN 68 11.322 -3.115 -0.816 506 2HB ASN 68 2HB ASN 68 11.315 -4.431 0.341 507 1HD2 ASN 68 2HD2 ASN 68 12.326 -3.855 -3.032 508 2HD2 ASN 68 1HD2 ASN 68 13.870 -4.665 -2.886 509 H GLN 69 H GLN 69 8.324 -3.163 -1.320 510 HA GLN 69 HA GLN 69 7.123 -4.116 1.124 511 1HB GLN 69 1HB GLN 69 6.617 -1.909 -0.789 512 2HB GLN 69 2HB GLN 69 5.302 -2.417 0.251 513 1HG GLN 69 1HG GLN 69 7.912 -2.079 1.566 514 2HG GLN 69 2HG GLN 69 7.170 -0.608 0.971 515 1HE2 GLN 69 2HE2 GLN 69 7.680 -1.032 3.638 516 2HE2 GLN 69 1HE2 GLN 69 6.144 -1.115 4.473 517 H VAL 70 H VAL 70 6.169 -4.102 -2.304 518 HA VAL 70 HA VAL 70 3.754 -5.576 -1.897 519 HB VAL 70 HB VAL 70 5.341 -5.312 -4.433 520 1HG1 VAL 70 1HG1 VAL 70 3.473 -6.908 -4.474 521 2HG1 VAL 70 2HG1 VAL 70 2.378 -5.624 -3.856 522 3HG1 VAL 70 3HG1 VAL 70 3.116 -5.468 -5.488 523 1HG2 VAL 70 1HG2 VAL 70 3.301 -3.363 -3.271 524 2HG2 VAL 70 2HG2 VAL 70 5.065 -3.056 -3.432 525 3HG2 VAL 70 3HG2 VAL 70 4.049 -3.248 -4.903 526 H LYS 71 H LYS 71 7.090 -6.410 -2.053 527 HA LYS 71 HA LYS 71 6.714 -9.144 -2.861 528 1HB LYS 71 1HB LYS 71 8.849 -7.577 -2.826 529 2HB LYS 71 2HB LYS 71 9.059 -8.315 -1.251 530 1HG LYS 71 1HG LYS 71 8.958 -10.540 -2.255 531 2HG LYS 71 2HG LYS 71 8.670 -9.833 -3.833 532 1HD LYS 71 1HD LYS 71 10.856 -9.210 -4.102 533 2HD LYS 71 2HD LYS 71 11.083 -8.889 -2.394 534 1HE LYS 71 1HE LYS 71 10.652 -11.627 -2.493 535 2HE LYS 71 2HE LYS 71 11.638 -11.314 -3.907 536 1HZ LYS 71 1HZ LYS 71 13.208 -10.189 -2.505 537 2HZ LYS 71 2HZ LYS 71 12.276 -10.485 -1.168 538 3HZ LYS 71 3HZ LYS 71 12.978 -11.744 -1.982 539 H GLN 72 H GLN 72 6.409 -7.364 0.098 540 HA GLN 72 HA GLN 72 6.236 -9.853 1.640 541 1HB GLN 72 1HB GLN 72 6.371 -6.961 2.414 542 2HB GLN 72 2HB GLN 72 5.996 -8.224 3.569 543 1HG GLN 72 1HG GLN 72 8.278 -9.007 2.028 544 2HG GLN 72 2HG GLN 72 8.547 -7.402 2.677 545 1HE2 GLN 72 2HE2 GLN 72 9.126 -10.548 3.281 546 2HE2 GLN 72 1HE2 GLN 72 9.150 -10.536 5.030 547 H VAL 73 H VAL 73 4.187 -8.497 -0.407 548 HA VAL 73 HA VAL 73 1.869 -8.039 1.182 549 HB VAL 73 HB VAL 73 2.559 -7.496 -1.299 550 1HG1 VAL 73 1HG1 VAL 73 2.500 -9.771 -2.163 551 2HG1 VAL 73 2HG1 VAL 73 0.784 -9.919 -1.648 552 3HG1 VAL 73 3HG1 VAL 73 1.238 -8.753 -2.938 553 1HG2 VAL 73 1HG2 VAL 73 -0.271 -7.913 -0.346 554 2HG2 VAL 73 2HG2 VAL 73 0.749 -6.453 -0.099 555 3HG2 VAL 73 3HG2 VAL 73 0.221 -6.910 -1.756 556 H ARG 74 H ARG 74 0.179 -9.337 1.734 557 HA ARG 74 HA ARG 74 0.544 -11.885 2.578 558 1HB ARG 74 1HB ARG 74 -1.923 -10.595 1.502 559 2HB ARG 74 2HB ARG 74 -1.947 -12.240 2.105 560 1HG ARG 74 1HG ARG 74 -0.555 -10.707 4.004 561 2HG ARG 74 2HG ARG 74 -1.988 -9.794 3.574 562 1HD ARG 74 1HD ARG 74 -3.352 -11.831 3.988 563 2HD ARG 74 2HD ARG 74 -1.902 -12.652 4.533 564 HE ARG 74 HE ARG 74 -2.146 -10.254 6.017 565 1HH1 ARG 74 1HH2 ARG 74 -3.562 -13.442 5.788 566 2HH1 ARG 74 2HH2 ARG 74 -4.292 -13.334 7.374 567 1HH2 ARG 74 1HH1 ARG 74 -3.221 -10.119 7.987 568 2HH2 ARG 74 2HH1 ARG 74 -4.105 -11.504 8.586 569 H ASP 75 H ASP 75 -1.178 -11.243 -0.428 570 HA ASP 75 HA ASP 75 0.239 -12.671 -2.243 571 1HB ASP 75 1HB ASP 75 -1.108 -14.533 -0.422 572 2HB ASP 75 2HB ASP 75 -1.401 -14.826 -2.125 573 H GLU 76 H GLU 76 -2.871 -12.030 -0.830 574 HA GLU 76 HA GLU 76 -4.067 -11.480 -3.465 575 1HB GLU 76 1HB GLU 76 -4.724 -13.772 -2.291 576 2HB GLU 76 2HB GLU 76 -5.794 -12.716 -1.392 577 1HG GLU 76 1HG GLU 76 -6.780 -11.888 -3.482 578 2HG GLU 76 2HG GLU 76 -5.664 -12.863 -4.416 579 H CYS 77 H CYS 77 -3.101 -10.216 -0.688 580 HA CYS 77 HA CYS 77 -5.444 -8.470 -0.346 581 1HB CYS 77 1HB CYS 77 -3.009 -8.948 1.311 582 2HB CYS 77 2HB CYS 77 -4.165 -7.674 1.640 583 H GLN 78 H GLN 78 -2.658 -8.641 -2.168 584 HA GLN 78 HA GLN 78 -1.626 -6.014 -2.013 585 1HB GLN 78 1HB GLN 78 -0.895 -6.555 -4.383 586 2HB GLN 78 2HB GLN 78 -0.339 -7.636 -3.122 587 1HG GLN 78 1HG GLN 78 -1.332 -9.391 -4.064 588 2HG GLN 78 2HG GLN 78 -2.842 -8.526 -4.259 589 1HE2 GLN 78 2HE2 GLN 78 0.280 -9.258 -5.750 590 2HE2 GLN 78 1HE2 GLN 78 -0.190 -8.792 -7.369 591 H CYS 79 H CYS 79 -4.349 -7.411 -3.860 592 HA CYS 79 HA CYS 79 -4.769 -5.029 -5.413 593 1HB CYS 79 1HB CYS 79 -5.864 -7.651 -5.177 594 2HB CYS 79 2HB CYS 79 -7.153 -6.465 -5.159 595 H GLU 80 H GLU 80 -6.776 -6.561 -2.849 596 HA GLU 80 HA GLU 80 -8.452 -4.408 -2.331 597 1HB GLU 80 1HB GLU 80 -8.439 -6.798 -1.351 598 2HB GLU 80 2HB GLU 80 -7.399 -6.123 -0.114 599 1HG GLU 80 1HG GLU 80 -9.375 -5.655 0.918 600 2HG GLU 80 2HG GLU 80 -9.366 -4.263 -0.147 601 H ALA 81 H ALA 81 -5.116 -4.837 -1.399 602 HA ALA 81 HA ALA 81 -4.916 -2.815 0.547 603 1HB ALA 81 1HB ALA 81 -3.214 -4.509 0.221 604 2HB ALA 81 2HB ALA 81 -2.877 -3.850 -1.418 605 3HB ALA 81 3HB ALA 81 -2.524 -2.860 0.040 606 H ILE 82 H ILE 82 -4.639 -2.690 -2.986 607 HA ILE 82 HA ILE 82 -3.880 0.012 -3.255 608 HB ILE 82 HB ILE 82 -5.576 -1.643 -5.105 609 1HG1 ILE 82 1HG1 ILE 82 -3.249 -2.492 -4.331 610 2HG1 ILE 82 2HG1 ILE 82 -3.711 -2.571 -6.019 611 1HG2 ILE 82 1HG2 ILE 82 -5.636 0.748 -5.635 612 2HG2 ILE 82 2HG2 ILE 82 -3.838 0.788 -5.624 613 3HG2 ILE 82 3HG2 ILE 82 -4.709 -0.164 -6.876 614 1HD1 ILE 82 1HD1 ILE 82 -2.426 -0.530 -6.491 615 2HD1 ILE 82 2HD1 ILE 82 -1.952 -0.449 -4.758 616 3HD1 ILE 82 3HD1 ILE 82 -1.394 -1.820 -5.779 617 H LYS 83 H LYS 83 -7.167 -1.494 -3.328 618 HA LYS 83 HA LYS 83 -8.475 1.052 -3.376 619 1HB LYS 83 1HB LYS 83 -9.316 -1.747 -2.804 620 2HB LYS 83 2HB LYS 83 -10.427 -0.423 -2.519 621 1HG LYS 83 1HG LYS 83 -10.839 -1.162 -4.750 622 2HG LYS 83 2HG LYS 83 -9.943 0.337 -4.890 623 1HD LYS 83 1HD LYS 83 -8.123 -0.684 -5.798 624 2HD LYS 83 2HD LYS 83 -8.296 -2.108 -4.793 625 1HE LYS 83 1HE LYS 83 -10.137 -1.516 -7.093 626 2HE LYS 83 2HE LYS 83 -8.669 -2.457 -7.274 627 1HZ LYS 83 1HZ LYS 83 -9.503 -3.979 -5.632 628 2HZ LYS 83 2HZ LYS 83 -10.889 -3.090 -5.463 629 3HZ LYS 83 3HZ LYS 83 -10.566 -3.856 -6.895 630 H TYR 84 H TYR 84 -6.752 -0.479 -0.937 631 HA TYR 84 HA TYR 84 -8.063 0.947 1.268 632 1HB TYR 84 1HB TYR 84 -7.692 -1.337 1.636 633 2HB TYR 84 2HB TYR 84 -6.058 -1.246 1.012 634 HD1 TYR 84 1HD TYR 84 -4.242 -0.931 2.393 635 HD2 TYR 84 2HD TYR 84 -8.172 0.081 3.774 636 HE1 TYR 84 1HE TYR 84 -3.341 -0.667 4.721 637 HE2 TYR 84 2HE TYR 84 -7.251 0.545 6.049 638 HH TYR 84 HH TYR 84 -5.552 0.401 7.359 639 H ILE 85 H ILE 85 -6.112 2.010 -0.982 640 HA ILE 85 HA ILE 85 -4.705 3.782 0.831 641 HB ILE 85 HB ILE 85 -3.214 1.845 0.766 642 1HG1 ILE 85 1HG1 ILE 85 -2.250 4.342 -0.586 643 2HG1 ILE 85 2HG1 ILE 85 -2.226 3.979 1.128 644 1HG2 ILE 85 1HG2 ILE 85 -3.796 0.948 -1.437 645 2HG2 ILE 85 2HG2 ILE 85 -3.060 2.393 -2.214 646 3HG2 ILE 85 3HG2 ILE 85 -2.026 1.235 -1.309 647 1HD1 ILE 85 1HD1 ILE 85 -0.612 2.150 0.741 648 2HD1 ILE 85 2HD1 ILE 85 -0.636 2.522 -1.018 649 3HD1 ILE 85 3HD1 ILE 85 0.022 3.724 0.146 650 H ALA 86 H ALA 86 -4.673 2.675 -2.578 651 HA ALA 86 HA ALA 86 -4.278 5.196 -3.739 652 1HB ALA 86 1HB ALA 86 -3.936 3.070 -4.936 653 2HB ALA 86 2HB ALA 86 -5.700 2.738 -4.826 654 3HB ALA 86 3HB ALA 86 -5.105 4.123 -5.807 655 H GLU 87 H GLU 87 -7.353 3.334 -3.476 656 HA GLU 87 HA GLU 87 -8.888 5.680 -4.112 657 1HB GLU 87 1HB GLU 87 -9.561 3.265 -4.469 658 2HB GLU 87 2HB GLU 87 -9.901 3.210 -2.751 659 1HG GLU 87 1HG GLU 87 -11.961 3.933 -3.340 660 2HG GLU 87 2HG GLU 87 -11.194 5.501 -3.492 661 H ASP 88 H ASP 88 -7.925 4.058 -1.104 662 HA ASP 88 HA ASP 88 -9.594 5.430 0.692 663 1HB ASP 88 1HB ASP 88 -7.710 3.558 0.983 664 2HB ASP 88 2HB ASP 88 -6.784 4.962 1.473 665 H GLN 89 H GLN 89 -6.196 6.189 -0.162 666 HA GLN 89 HA GLN 89 -6.152 8.698 1.102 667 1HB GLN 89 1HB GLN 89 -4.086 9.015 0.133 668 2HB GLN 89 2HB GLN 89 -4.209 7.267 0.150 669 1HG GLN 89 1HG GLN 89 -4.928 7.304 -2.203 670 2HG GLN 89 2HG GLN 89 -4.777 9.049 -2.216 671 1HE2 GLN 89 2HE2 GLN 89 -2.695 6.533 -0.819 672 2HE2 GLN 89 1HE2 GLN 89 -1.258 7.022 -1.688 673 H ILE 90 H ILE 90 -7.203 7.714 -2.169 674 HA ILE 90 HA ILE 90 -7.371 10.318 -3.235 675 HB ILE 90 HB ILE 90 -8.623 7.703 -3.874 676 1HG1 ILE 90 1HG1 ILE 90 -6.969 9.410 -5.678 677 2HG1 ILE 90 2HG1 ILE 90 -6.212 8.438 -4.432 678 1HG2 ILE 90 1HG2 ILE 90 -10.373 9.333 -4.389 679 2HG2 ILE 90 2HG2 ILE 90 -9.187 10.300 -5.332 680 3HG2 ILE 90 3HG2 ILE 90 -9.656 8.657 -5.893 681 1HD1 ILE 90 1HD1 ILE 90 -7.255 6.386 -5.367 682 2HD1 ILE 90 2HD1 ILE 90 -8.032 7.384 -6.645 683 3HD1 ILE 90 3HD1 ILE 90 -6.242 7.224 -6.594 684 H GLN 91 H GLN 91 -9.672 8.334 -1.402 685 HA GLN 91 HA GLN 91 -11.710 10.352 -1.482 686 1HB GLN 91 1HB GLN 91 -11.451 7.869 0.181 687 2HB GLN 91 2HB GLN 91 -12.878 8.880 0.097 688 1HG GLN 91 1HG GLN 91 -12.388 8.425 -2.543 689 2HG GLN 91 2HG GLN 91 -11.850 6.918 -1.829 690 1HE2 GLN 91 2HE2 GLN 91 -14.163 7.629 -3.583 691 2HE2 GLN 91 1HE2 GLN 91 -15.581 7.066 -2.726 692 H GLN 92 H GLN 92 -9.336 9.287 0.889 693 HA GLN 92 HA GLN 92 -10.211 10.964 2.996 694 1HB GLN 92 1HB GLN 92 -8.432 8.876 2.765 695 2HB GLN 92 2HB GLN 92 -7.386 10.251 3.055 696 1HG GLN 92 1HG GLN 92 -8.160 10.564 5.168 697 2HG GLN 92 2HG GLN 92 -9.800 10.119 4.740 698 1HE2 GLN 92 2HE2 GLN 92 -10.550 8.233 5.433 699 2HE2 GLN 92 1HE2 GLN 92 -9.568 6.904 6.009 700 H GLY 93 H GLY 93 -7.252 11.159 1.049 701 1HA GLY 93 1HA GLY 93 -6.552 13.788 1.637 702 2HA GLY 93 2HA GLY 93 -6.107 12.907 0.189 703 H GLN 94 H GLN 94 -6.307 15.439 -0.252 704 HA GLN 94 HA GLN 94 -9.032 16.173 -0.995 705 1HB GLN 94 1HB GLN 94 -6.788 17.598 -0.224 706 2HB GLN 94 2HB GLN 94 -6.969 17.970 -1.926 707 1HG GLN 94 1HG GLN 94 -9.149 18.815 -1.629 708 2HG GLN 94 2HG GLN 94 -9.325 18.044 -0.065 709 1HE2 GLN 94 2HE2 GLN 94 -8.956 19.220 1.710 710 2HE2 GLN 94 1HE2 GLN 94 -8.095 20.743 1.752 711 H LEU 95 H LEU 95 -8.262 13.850 -2.340 712 HA LEU 95 HA LEU 95 -7.454 14.750 -5.011 713 1HB LEU 95 1HB LEU 95 -8.084 11.977 -4.102 714 2HB LEU 95 2HB LEU 95 -7.196 12.461 -5.532 715 HG LEU 95 HG LEU 95 -5.578 11.678 -4.073 716 1HD1 LEU 95 1HD1 LEU 95 -4.882 13.819 -5.041 717 2HD1 LEU 95 2HD1 LEU 95 -5.616 14.685 -3.647 718 3HD1 LEU 95 3HD1 LEU 95 -4.198 13.608 -3.393 719 1HD2 LEU 95 1HD2 LEU 95 -6.823 13.301 -1.877 720 2HD2 LEU 95 2HD2 LEU 95 -6.889 11.515 -2.064 721 3HD2 LEU 95 3HD2 LEU 95 -5.316 12.329 -1.751 722 H HIS 96 H HIS 96 -10.169 15.142 -3.441 723 HA HIS 96 HA HIS 96 -11.980 14.049 -5.468 724 1HB HIS 96 1HB HIS 96 -12.178 15.134 -2.740 725 2HB HIS 96 2HB HIS 96 -13.564 15.370 -3.784 726 HD1 HIS 96 1HD HIS 96 -15.230 13.658 -2.901 727 HD2 HIS 96 2HD HIS 96 -11.358 12.135 -3.561 728 HE1 HIS 96 1HE HIS 96 -15.377 11.124 -2.502 729 HE2 HIS 96 2HE HIS 96 -13.018 10.201 -3.002 730 H GLY 97 H GLY 97 -13.913 15.770 -5.834 731 1HA GLY 97 1HA GLY 97 -14.568 17.775 -6.776 732 2HA GLY 97 2HA GLY 97 -13.031 18.481 -6.317 733 H GLU 98 H GLU 98 -11.099 17.732 -7.619 734 HA GLU 98 HA GLU 98 -11.523 16.610 -10.222 735 1HB GLU 98 1HB GLU 98 -12.463 18.955 -10.436 736 2HB GLU 98 2HB GLU 98 -10.816 19.522 -10.250 737 1HG GLU 98 1HG GLU 98 -10.105 18.337 -12.213 738 2HG GLU 98 2HG GLU 98 -11.634 17.489 -12.322 739 H GLU 99 H GLU 99 -9.892 15.624 -8.473 740 HA GLU 99 HA GLU 99 -7.248 16.102 -9.519 741 1HB GLU 99 1HB GLU 99 -6.392 16.426 -7.058 742 2HB GLU 99 2HB GLU 99 -6.821 17.789 -8.073 743 1HG GLU 99 1HG GLU 99 -9.067 17.783 -7.025 744 2HG GLU 99 2HG GLU 99 -8.507 16.533 -5.932 745 H SER 100 H SER 100 -9.348 14.030 -9.124 746 HA SER 100 HA SER 100 -7.996 12.085 -7.395 747 1HB SER 100 1HB SER 100 -10.121 11.495 -7.100 748 2HB SER 100 2HB SER 100 -10.645 12.403 -8.504 749 HG SER 100 HG SER 100 -11.073 10.181 -8.689 750 H GLU 101 H GLU 101 -8.497 12.826 -10.793 751 HA GLU 101 HA GLU 101 -7.482 10.288 -11.736 752 1HB GLU 101 1HB GLU 101 -8.960 12.073 -12.956 753 2HB GLU 101 2HB GLU 101 -7.420 12.810 -13.346 754 1HG GLU 101 1HG GLU 101 -7.441 11.395 -15.120 755 2HG GLU 101 2HG GLU 101 -6.924 10.196 -13.952 756 H ARG 102 H ARG 102 -6.137 13.483 -10.976 757 HA ARG 102 HA ARG 102 -3.566 13.067 -12.090 758 1HB ARG 102 1HB ARG 102 -2.824 14.866 -10.683 759 2HB ARG 102 2HB ARG 102 -4.407 15.254 -11.328 760 1HG ARG 102 1HG ARG 102 -5.450 14.997 -9.292 761 2HG ARG 102 2HG ARG 102 -4.212 13.921 -8.676 762 1HD ARG 102 1HD ARG 102 -2.686 15.965 -8.719 763 2HD ARG 102 2HD ARG 102 -4.159 16.897 -8.888 764 HE ARG 102 HE ARG 102 -4.570 15.176 -6.717 765 1HH1 ARG 102 1HH2 ARG 102 -2.237 17.658 -7.493 766 2HH1 ARG 102 2HH2 ARG 102 -2.020 18.117 -5.820 767 1HH2 ARG 102 1HH1 ARG 102 -4.294 15.827 -4.590 768 2HH2 ARG 102 2HH1 ARG 102 -3.159 17.104 -4.213 769 H VAL 103 H VAL 103 -5.074 11.823 -9.205 770 HA VAL 103 HA VAL 103 -2.590 11.044 -7.942 771 HB VAL 103 HB VAL 103 -5.489 10.682 -7.401 772 1HG1 VAL 103 1HG1 VAL 103 -4.527 8.478 -6.906 773 2HG1 VAL 103 2HG1 VAL 103 -3.272 9.272 -5.894 774 3HG1 VAL 103 3HG1 VAL 103 -4.999 9.347 -5.403 775 1HG2 VAL 103 1HG2 VAL 103 -3.148 11.813 -5.848 776 2HG2 VAL 103 2HG2 VAL 103 -4.384 12.756 -6.753 777 3HG2 VAL 103 3HG2 VAL 103 -4.859 11.811 -5.299 778 H ALA 104 H ALA 104 -4.918 9.660 -10.163 779 HA ALA 104 HA ALA 104 -4.211 6.949 -9.929 780 1HB ALA 104 1HB ALA 104 -6.150 7.752 -11.215 781 2HB ALA 104 2HB ALA 104 -5.032 8.528 -12.389 782 3HB ALA 104 3HB ALA 104 -5.069 6.737 -12.232 783 H GLN 105 H GLN 105 -2.700 9.607 -11.790 784 HA GLN 105 HA GLN 105 -0.789 7.937 -13.098 785 1HB GLN 105 1HB GLN 105 -0.765 10.871 -12.435 786 2HB GLN 105 2HB GLN 105 0.456 10.084 -13.414 787 1HG GLN 105 1HG GLN 105 -1.313 9.332 -14.976 788 2HG GLN 105 2HG GLN 105 -2.503 10.185 -14.014 789 1HE2 GLN 105 2HE2 GLN 105 -2.188 12.547 -13.726 790 2HE2 GLN 105 1HE2 GLN 105 -1.466 13.450 -15.040 791 H ARG 106 H ARG 106 -0.671 9.857 -10.072 792 HA ARG 106 HA ARG 106 1.997 9.282 -9.417 793 1HB ARG 106 1HB ARG 106 -0.436 10.116 -7.989 794 2HB ARG 106 2HB ARG 106 0.891 9.509 -7.019 795 1HG ARG 106 1HG ARG 106 1.344 11.773 -7.078 796 2HG ARG 106 2HG ARG 106 2.316 11.184 -8.410 797 1HD ARG 106 1HD ARG 106 1.240 12.887 -9.487 798 2HD ARG 106 2HD ARG 106 0.061 11.617 -9.743 799 HE ARG 106 HE ARG 106 -1.389 12.628 -8.215 800 1HH1 ARG 106 1HH2 ARG 106 1.694 14.257 -8.194 801 2HH1 ARG 106 2HH2 ARG 106 1.080 15.606 -7.265 802 1HH2 ARG 106 1HH1 ARG 106 -2.125 14.360 -7.038 803 2HH2 ARG 106 2HH1 ARG 106 -1.033 15.663 -6.626 804 H ALA 107 H ALA 107 -0.980 7.548 -8.553 805 HA ALA 107 HA ALA 107 0.366 5.528 -7.044 806 1HB ALA 107 1HB ALA 107 -1.965 6.161 -6.633 807 2HB ALA 107 2HB ALA 107 -2.399 5.617 -8.290 808 3HB ALA 107 3HB ALA 107 -1.844 4.421 -7.068 809 H GLY 108 H GLY 108 -1.431 5.299 -10.086 810 1HA GLY 108 1HA GLY 108 -0.652 2.913 -11.115 811 2HA GLY 108 2HA GLY 108 -0.940 4.343 -12.085 812 H GLU 109 H GLU 109 1.316 5.846 -11.007 813 HA GLU 109 HA GLU 109 3.398 5.092 -12.712 814 1HB GLU 109 1HB GLU 109 3.152 6.884 -10.370 815 2HB GLU 109 2HB GLU 109 4.768 6.444 -10.882 816 1HG GLU 109 1HG GLU 109 3.070 7.193 -13.117 817 2HG GLU 109 2HG GLU 109 3.224 8.481 -11.939 818 H ILE 110 H ILE 110 3.100 4.511 -9.187 819 HA ILE 110 HA ILE 110 5.465 2.856 -9.178 820 HB ILE 110 HB ILE 110 3.293 3.217 -7.139 821 1HG1 ILE 110 1HG1 ILE 110 4.208 5.292 -7.058 822 2HG1 ILE 110 2HG1 ILE 110 5.404 4.468 -6.078 823 1HG2 ILE 110 1HG2 ILE 110 4.485 1.109 -6.845 824 2HG2 ILE 110 2HG2 ILE 110 6.053 1.986 -6.925 825 3HG2 ILE 110 3HG2 ILE 110 4.931 2.275 -5.551 826 1HD1 ILE 110 1HD1 ILE 110 6.858 4.186 -8.045 827 2HD1 ILE 110 2HD1 ILE 110 5.631 5.031 -9.052 828 3HD1 ILE 110 3HD1 ILE 110 6.484 5.918 -7.740 829 H VAL 111 H VAL 111 2.061 2.364 -9.638 830 HA VAL 111 HA VAL 111 1.939 -0.398 -9.221 831 HB VAL 111 HB VAL 111 0.456 1.325 -11.136 832 1HG1 VAL 111 1HG1 VAL 111 0.294 -0.985 -11.852 833 2HG1 VAL 111 2HG1 VAL 111 -0.186 -1.468 -10.188 834 3HG1 VAL 111 3HG1 VAL 111 -1.268 -0.416 -11.164 835 1HG2 VAL 111 1HG2 VAL 111 -0.203 0.396 -8.330 836 2HG2 VAL 111 2HG2 VAL 111 0.240 2.065 -8.830 837 3HG2 VAL 111 3HG2 VAL 111 -1.301 1.334 -9.402 838 H SER 112 H SER 112 2.526 1.371 -12.269 839 HA SER 112 HA SER 112 3.141 -0.883 -13.820 840 1HB SER 112 1HB SER 112 4.382 0.664 -15.270 841 2HB SER 112 2HB SER 112 2.773 1.227 -14.863 842 HG SER 112 HG SER 112 4.331 2.869 -14.749 843 H SER 113 H SER 113 5.021 0.731 -11.394 844 HA SER 113 HA SER 113 7.551 -0.383 -12.206 845 1HB SER 113 1HB SER 113 6.700 0.839 -9.588 846 2HB SER 113 2HB SER 113 8.350 0.542 -10.097 847 HG SER 113 HG SER 113 7.651 2.687 -10.599 848 H CYS 114 H CYS 114 5.998 -0.804 -9.045 849 HA CYS 114 HA CYS 114 6.023 -3.708 -9.373 850 1HB CYS 114 1HB CYS 114 8.245 -2.700 -8.398 851 2HB CYS 114 2HB CYS 114 7.301 -2.654 -6.924 852 H GLY 115 H GLY 115 3.812 -2.134 -9.392 853 1HA GLY 115 1HA GLY 115 2.568 -2.761 -6.783 854 2HA GLY 115 2HA GLY 115 2.440 -1.130 -7.412 855 H VAL 116 H VAL 116 2.577 -3.719 -9.683 856 HA VAL 116 HA VAL 116 0.008 -3.136 -10.763 857 HB VAL 116 HB VAL 116 1.621 -3.660 -12.330 858 1HG1 VAL 116 1HG1 VAL 116 3.264 -4.719 -10.866 859 2HG1 VAL 116 2HG1 VAL 116 2.235 -6.191 -10.792 860 3HG1 VAL 116 3HG1 VAL 116 2.987 -5.697 -12.348 861 1HG2 VAL 116 1HG2 VAL 116 -0.011 -6.178 -11.961 862 2HG2 VAL 116 2HG2 VAL 116 -0.517 -4.703 -12.856 863 3HG2 VAL 116 3HG2 VAL 116 0.853 -5.697 -13.463 864 H ARG 117 H ARG 117 -0.963 -3.475 -8.559 865 HA ARG 117 HA ARG 117 -1.454 -6.314 -7.987 866 1HB ARG 117 1HB ARG 117 -2.313 -4.003 -6.304 867 2HB ARG 117 2HB ARG 117 -2.141 -5.683 -5.838 868 1HG ARG 117 1HG ARG 117 0.072 -3.772 -6.509 869 2HG ARG 117 2HG ARG 117 -0.322 -4.406 -4.924 870 1HD ARG 117 1HD ARG 117 1.020 -6.122 -5.293 871 2HD ARG 117 2HD ARG 117 0.007 -6.609 -6.637 872 HE ARG 117 HE ARG 117 1.785 -4.530 -7.431 873 1HH1 ARG 117 1HH2 ARG 117 1.622 -7.983 -6.891 874 2HH1 ARG 117 2HH2 ARG 117 3.049 -8.290 -7.855 875 1HH2 ARG 117 1HH1 ARG 117 3.632 -4.955 -8.565 876 2HH2 ARG 117 2HH1 ARG 117 4.167 -6.606 -8.786 877 H CYS 118 H CYS 118 -3.409 -3.409 -7.672 878 HA CYS 118 HA CYS 118 -5.529 -4.721 -9.261 879 1HB CYS 118 1HB CYS 118 -5.598 -3.745 -6.587 880 2HB CYS 118 2HB CYS 118 -6.663 -2.771 -7.580 881 H MET 119 H MET 119 -3.263 -2.341 -9.235 882 HA MET 119 HA MET 119 -4.922 -0.394 -10.690 883 1HB MET 119 1HB MET 119 -2.380 -0.409 -9.245 884 2HB MET 119 2HB MET 119 -2.487 0.673 -10.619 885 1HG MET 119 1HG MET 119 -4.828 0.931 -9.037 886 2HG MET 119 2HG MET 119 -3.415 1.082 -8.012 887 1HE MET 119 1HE MET 119 -4.993 2.249 -11.408 888 2HE MET 119 2HE MET 119 -5.916 2.853 -9.988 889 3HE MET 119 3HE MET 119 -5.054 4.011 -11.059 890 H ARG 120 H ARG 120 -3.122 -3.101 -11.374 891 HA ARG 120 HA ARG 120 -3.138 -2.500 -14.197 892 1HB ARG 120 1HB ARG 120 -1.039 -1.481 -13.446 893 2HB ARG 120 2HB ARG 120 -0.512 -3.048 -12.862 894 1HG ARG 120 1HG ARG 120 0.310 -3.481 -14.892 895 2HG ARG 120 2HG ARG 120 -1.321 -3.435 -15.528 896 1HD ARG 120 1HD ARG 120 -0.155 -0.803 -15.103 897 2HD ARG 120 2HD ARG 120 0.708 -1.778 -16.276 898 HE ARG 120 HE ARG 120 -1.925 -2.089 -17.001 899 1HH1 ARG 120 1HH2 ARG 120 0.141 0.687 -16.516 900 2HH1 ARG 120 2HH2 ARG 120 -0.726 1.662 -17.681 901 1HH2 ARG 120 1HH1 ARG 120 -3.010 -0.816 -18.480 902 2HH2 ARG 120 2HH1 ARG 120 -2.479 0.825 -18.774 903 H GLN 121 H GLN 121 -4.230 -4.432 -12.151 904 HA GLN 121 HA GLN 121 -3.845 -6.813 -13.756 905 1HB GLN 121 1HB GLN 121 -2.010 -6.524 -11.772 906 2HB GLN 121 2HB GLN 121 -3.282 -7.392 -10.937 907 1HG GLN 121 1HG GLN 121 -1.840 -9.037 -11.858 908 2HG GLN 121 2HG GLN 121 -3.281 -9.023 -12.855 909 1HE2 GLN 121 2HE2 GLN 121 0.107 -8.749 -12.795 910 2HE2 GLN 121 1HE2 GLN 121 0.341 -8.296 -14.469 911 H THR 122 H THR 122 -4.755 -8.530 -11.603 912 HA THR 122 HA THR 122 -7.310 -7.421 -10.762 913 HB THR 122 HB THR 122 -7.327 -9.787 -12.636 914 HG1 THR 122 1HG THR 122 -8.042 -8.212 -14.149 915 1HG2 THR 122 1HG2 THR 122 -9.309 -9.477 -11.132 916 2HG2 THR 122 2HG2 THR 122 -9.471 -7.804 -11.770 917 3HG2 THR 122 3HG2 THR 122 -9.708 -9.211 -12.864 918 H ARG 123 H ARG 123 -8.628 -9.325 -9.669 919 HA ARG 123 HA ARG 123 -7.200 -10.262 -7.480 920 1HB ARG 123 1HB ARG 123 -9.717 -10.129 -7.831 921 2HB ARG 123 2HB ARG 123 -9.580 -11.688 -8.620 922 1HG ARG 123 1HG ARG 123 -8.198 -12.260 -6.405 923 2HG ARG 123 2HG ARG 123 -9.205 -10.986 -5.748 924 1HD ARG 123 1HD ARG 123 -11.071 -12.258 -5.825 925 2HD ARG 123 2HD ARG 123 -10.665 -12.916 -7.397 926 HE ARG 123 HE ARG 123 -8.931 -14.246 -5.880 927 1HH1 ARG 123 1HH2 ARG 123 -12.352 -13.767 -5.486 928 2HH1 ARG 123 2HH2 ARG 123 -12.548 -15.209 -4.516 929 1HH2 ARG 123 1HH1 ARG 123 -9.203 -16.060 -4.555 930 2HH2 ARG 123 2HH1 ARG 123 -10.808 -16.478 -3.999 931 H THR 124 H THR 124 -5.305 -11.269 -7.882 932 HA THR 124 HA THR 124 -5.070 -13.332 -9.884 933 HB THR 124 HB THR 124 -2.730 -13.332 -9.324 934 HG1 THR 124 1HG THR 124 -1.966 -12.058 -7.611 935 1HG2 THR 124 1HG2 THR 124 -3.490 -11.288 -10.539 936 2HG2 THR 124 2HG2 THR 124 -3.777 -10.500 -8.948 937 3HG2 THR 124 3HG2 THR 124 -2.108 -10.958 -9.438 938 H ASN 125 H ASN 125 -4.658 -13.171 -6.365 939 HA ASN 125 HA ASN 125 -5.976 -15.171 -5.281 940 1HB ASN 125 1HB ASN 125 -4.091 -16.414 -7.118 941 2HB ASN 125 2HB ASN 125 -4.055 -17.066 -5.492 942 1HD2 ASN 125 2HD2 ASN 125 -6.559 -16.946 -4.604 943 2HD2 ASN 125 1HD2 ASN 125 -7.634 -17.891 -5.611 Start of MODEL 7 1 1H ALA 1 1H ALA 1 -25.786 4.170 -24.708 2 2H ALA 1 2H ALA 1 -27.352 4.684 -24.869 3 3H ALA 1 3H ALA 1 -26.103 5.713 -25.219 4 HA ALA 1 HA ALA 1 -25.401 5.690 -22.936 5 1HB ALA 1 1HB ALA 1 -26.941 7.471 -23.674 6 2HB ALA 1 2HB ALA 1 -28.335 6.397 -23.308 7 3HB ALA 1 3HB ALA 1 -27.276 6.979 -21.978 8 H GLU 2 H GLU 2 -25.266 4.514 -21.129 9 HA GLU 2 HA GLU 2 -27.470 2.910 -20.162 10 1HB GLU 2 1HB GLU 2 -25.870 1.656 -22.029 11 2HB GLU 2 2HB GLU 2 -25.209 1.114 -20.500 12 1HG GLU 2 1HG GLU 2 -28.006 0.991 -20.224 13 2HG GLU 2 2HG GLU 2 -27.644 0.309 -21.797 14 H PHE 3 H PHE 3 -26.953 4.644 -18.615 15 HA PHE 3 HA PHE 3 -24.592 4.750 -17.105 16 1HB PHE 3 1HB PHE 3 -26.740 6.250 -17.225 17 2HB PHE 3 2HB PHE 3 -27.215 5.293 -15.836 18 HD1 PHE 3 1HD PHE 3 -26.551 5.911 -13.697 19 HD2 PHE 3 2HD PHE 3 -24.395 7.335 -17.154 20 HE1 PHE 3 1HE PHE 3 -25.223 7.448 -12.238 21 HE2 PHE 3 2HE PHE 3 -23.054 8.858 -15.697 22 HZ PHE 3 HZ PHE 3 -23.470 8.921 -13.235 23 H MET 4 H MET 4 -23.692 2.874 -16.329 24 HA MET 4 HA MET 4 -24.995 1.559 -14.120 25 1HB MET 4 1HB MET 4 -25.839 0.559 -16.478 26 2HB MET 4 2HB MET 4 -24.387 -0.398 -16.254 27 1HG MET 4 1HG MET 4 -25.272 -0.751 -13.853 28 2HG MET 4 2HG MET 4 -26.809 -0.224 -14.508 29 1HE MET 4 1HE MET 4 -24.318 -3.043 -13.995 30 2HE MET 4 2HE MET 4 -25.858 -3.079 -13.068 31 3HE MET 4 3HE MET 4 -25.488 -4.384 -14.249 32 H GLU 5 H GLU 5 -23.248 1.871 -12.874 33 HA GLU 5 HA GLU 5 -20.824 0.373 -13.634 34 1HB GLU 5 1HB GLU 5 -19.381 2.139 -12.946 35 2HB GLU 5 2HB GLU 5 -20.511 2.802 -14.108 36 1HG GLU 5 1HG GLU 5 -20.581 4.449 -12.508 37 2HG GLU 5 2HG GLU 5 -21.876 3.419 -11.933 38 H SER 6 H SER 6 -19.777 -0.599 -11.949 39 HA SER 6 HA SER 6 -19.944 -0.121 -9.246 40 1HB SER 6 1HB SER 6 -22.391 -1.332 -10.168 41 2HB SER 6 2HB SER 6 -21.548 -2.424 -9.088 42 HG SER 6 HG SER 6 -22.940 -0.976 -7.959 43 H LYS 7 H LYS 7 -19.168 -1.948 -7.926 44 HA LYS 7 HA LYS 7 -18.140 -4.247 -9.402 45 1HB LYS 7 1HB LYS 7 -16.474 -2.237 -9.494 46 2HB LYS 7 2HB LYS 7 -16.135 -2.680 -7.833 47 1HG LYS 7 1HG LYS 7 -14.634 -4.107 -8.762 48 2HG LYS 7 2HG LYS 7 -16.040 -5.116 -9.042 49 1HD LYS 7 1HD LYS 7 -15.828 -3.219 -11.169 50 2HD LYS 7 2HD LYS 7 -14.278 -4.010 -10.964 51 1HE LYS 7 1HE LYS 7 -16.583 -5.825 -10.908 52 2HE LYS 7 2HE LYS 7 -16.338 -5.010 -12.440 53 1HZ LYS 7 1HZ LYS 7 -14.091 -5.804 -12.447 54 2HZ LYS 7 2HZ LYS 7 -14.323 -6.575 -11.000 55 3HZ LYS 7 3HZ LYS 7 -15.153 -7.072 -12.344 56 H GLY 8 H GLY 8 -19.258 -5.668 -8.189 57 1HA GLY 8 1HA GLY 8 -18.355 -6.227 -5.517 58 2HA GLY 8 2HA GLY 8 -19.960 -5.526 -5.530 59 H GLU 9 H GLU 9 -17.977 -8.243 -6.451 60 HA GLU 9 HA GLU 9 -20.407 -9.904 -6.592 61 1HB GLU 9 1HB GLU 9 -19.798 -9.241 -8.917 62 2HB GLU 9 2HB GLU 9 -18.263 -10.056 -8.698 63 1HG GLU 9 1HG GLU 9 -19.195 -12.134 -8.833 64 2HG GLU 9 2HG GLU 9 -20.663 -11.640 -8.015 65 H ARG 10 H ARG 10 -16.915 -10.306 -7.181 66 HA ARG 10 HA ARG 10 -16.835 -12.730 -5.628 67 1HB ARG 10 1HB ARG 10 -15.434 -12.227 -7.678 68 2HB ARG 10 2HB ARG 10 -14.457 -11.211 -6.637 69 1HG ARG 10 1HG ARG 10 -13.401 -13.007 -5.767 70 2HG ARG 10 2HG ARG 10 -14.927 -13.784 -5.394 71 1HD ARG 10 1HD ARG 10 -13.700 -13.765 -8.134 72 2HD ARG 10 2HD ARG 10 -13.456 -15.056 -6.976 73 HE ARG 10 HE ARG 10 -16.154 -14.921 -7.063 74 1HH1 ARG 10 1HH2 ARG 10 -13.831 -15.115 -9.650 75 2HH1 ARG 10 2HH2 ARG 10 -14.950 -15.936 -10.716 76 1HH2 ARG 10 1HH1 ARG 10 -17.539 -15.964 -8.459 77 2HH2 ARG 10 2HH1 ARG 10 -16.988 -16.402 -10.061 78 H GLU 11 H GLU 11 -14.898 -9.800 -5.325 79 HA GLU 11 HA GLU 11 -14.535 -10.281 -2.485 80 1HB GLU 11 1HB GLU 11 -13.226 -8.665 -4.542 81 2HB GLU 11 2HB GLU 11 -13.354 -7.872 -2.986 82 1HG GLU 11 1HG GLU 11 -11.409 -8.999 -2.567 83 2HG GLU 11 2HG GLU 11 -12.500 -10.318 -2.195 84 H GLY 12 H GLY 12 -15.522 -9.326 -0.863 85 1HA GLY 12 1HA GLY 12 -17.835 -7.676 -1.408 86 2HA GLY 12 2HA GLY 12 -17.252 -8.188 0.164 87 H SER 13 H SER 13 -14.658 -7.183 0.042 88 HA SER 13 HA SER 13 -14.292 -4.524 -0.731 89 1HB SER 13 1HB SER 13 -16.107 -4.652 1.411 90 2HB SER 13 2HB SER 13 -14.580 -4.154 2.112 91 HG SER 13 HG SER 13 -15.815 -2.367 1.338 92 H SER 14 H SER 14 -13.726 -6.965 1.713 93 HA SER 14 HA SER 14 -10.890 -6.875 1.382 94 1HB SER 14 1HB SER 14 -10.486 -6.431 3.850 95 2HB SER 14 2HB SER 14 -10.826 -5.052 2.823 96 HG SER 14 HG SER 14 -11.911 -4.940 4.828 97 H SER 15 H SER 15 -9.912 -8.732 2.136 98 HA SER 15 HA SER 15 -11.449 -11.050 2.548 99 1HB SER 15 1HB SER 15 -8.916 -10.710 1.929 100 2HB SER 15 2HB SER 15 -8.692 -10.881 3.658 101 HG SER 15 HG SER 15 -8.616 -12.910 2.561 102 H GLN 16 H GLN 16 -10.384 -12.405 4.730 103 HA GLN 16 HA GLN 16 -12.056 -11.999 6.802 104 1HB GLN 16 1HB GLN 16 -10.462 -13.828 6.708 105 2HB GLN 16 2HB GLN 16 -9.154 -12.722 7.080 106 1HG GLN 16 1HG GLN 16 -9.972 -12.313 9.262 107 2HG GLN 16 2HG GLN 16 -11.541 -12.999 8.888 108 1HE2 GLN 16 2HE2 GLN 16 -11.530 -14.473 10.603 109 2HE2 GLN 16 1HE2 GLN 16 -10.452 -15.851 10.634 110 H GLN 17 H GLN 17 -8.851 -10.463 6.706 111 HA GLN 17 HA GLN 17 -9.786 -7.936 7.550 112 1HB GLN 17 1HB GLN 17 -9.888 -9.464 9.673 113 2HB GLN 17 2HB GLN 17 -8.161 -9.177 9.721 114 1HG GLN 17 1HG GLN 17 -8.414 -6.897 10.057 115 2HG GLN 17 2HG GLN 17 -10.014 -6.868 9.345 116 1HE2 GLN 17 2HE2 GLN 17 -11.430 -6.228 10.866 117 2HE2 GLN 17 1HE2 GLN 17 -11.490 -6.852 12.500 118 H CYS 18 H CYS 18 -8.298 -8.783 5.407 119 HA CYS 18 HA CYS 18 -5.503 -8.474 5.953 120 1HB CYS 18 1HB CYS 18 -6.938 -9.250 3.720 121 2HB CYS 18 2HB CYS 18 -6.197 -7.730 3.263 122 H ARG 19 H ARG 19 -8.066 -6.204 4.910 123 HA ARG 19 HA ARG 19 -6.622 -3.998 4.176 124 1HB ARG 19 1HB ARG 19 -9.211 -4.516 4.478 125 2HB ARG 19 2HB ARG 19 -8.969 -3.549 5.918 126 1HG ARG 19 1HG ARG 19 -8.118 -1.709 4.607 127 2HG ARG 19 2HG ARG 19 -8.150 -2.681 3.149 128 1HD ARG 19 1HD ARG 19 -10.722 -2.929 3.892 129 2HD ARG 19 2HD ARG 19 -10.380 -1.360 4.591 130 HE ARG 19 HE ARG 19 -10.569 -0.468 2.496 131 1HH1 ARG 19 1HH2 ARG 19 -9.510 -3.763 2.082 132 2HH1 ARG 19 2HH2 ARG 19 -9.518 -3.628 0.338 133 1HH2 ARG 19 1HH1 ARG 19 -10.549 -0.398 0.281 134 2HH2 ARG 19 2HH1 ARG 19 -10.078 -1.815 -0.629 135 H GLN 20 H GLN 20 -7.262 -5.129 7.402 136 HA GLN 20 HA GLN 20 -6.124 -3.035 8.852 137 1HB GLN 20 1HB GLN 20 -7.502 -5.013 9.642 138 2HB GLN 20 2HB GLN 20 -6.000 -5.914 9.626 139 1HG GLN 20 1HG GLN 20 -5.513 -3.411 10.912 140 2HG GLN 20 2HG GLN 20 -6.950 -4.113 11.628 141 1HE2 GLN 20 2HE2 GLN 20 -3.821 -5.432 10.425 142 2HE2 GLN 20 1HE2 GLN 20 -3.478 -6.332 11.885 143 H GLU 21 H GLU 21 -4.509 -6.140 7.958 144 HA GLU 21 HA GLU 21 -1.945 -5.116 8.686 145 1HB GLU 21 1HB GLU 21 -3.019 -7.615 7.605 146 2HB GLU 21 2HB GLU 21 -1.391 -7.227 7.089 147 1HG GLU 21 1HG GLU 21 -2.050 -6.893 9.970 148 2HG GLU 21 2HG GLU 21 -1.856 -8.525 9.364 149 H VAL 22 H VAL 22 -3.633 -5.375 5.577 150 HA VAL 22 HA VAL 22 -1.607 -4.699 3.817 151 HB VAL 22 HB VAL 22 -4.552 -4.144 3.830 152 1HG1 VAL 22 1HG1 VAL 22 -3.485 -2.566 2.316 153 2HG1 VAL 22 2HG1 VAL 22 -2.619 -3.925 1.518 154 3HG1 VAL 22 3HG1 VAL 22 -4.410 -3.812 1.408 155 1HG2 VAL 22 1HG2 VAL 22 -2.933 -6.294 2.417 156 2HG2 VAL 22 2HG2 VAL 22 -4.006 -6.539 3.839 157 3HG2 VAL 22 3HG2 VAL 22 -4.706 -6.044 2.258 158 H GLN 23 H GLN 23 -3.582 -2.632 5.939 159 HA GLN 23 HA GLN 23 -2.604 -0.208 4.835 160 1HB GLN 23 1HB GLN 23 -3.657 0.861 6.549 161 2HB GLN 23 2HB GLN 23 -4.589 -0.606 6.326 162 1HG GLN 23 1HG GLN 23 -4.447 -0.939 8.468 163 2HG GLN 23 2HG GLN 23 -2.735 -1.236 8.255 164 1HE2 GLN 23 2HE2 GLN 23 -3.218 -0.575 10.625 165 2HE2 GLN 23 1HE2 GLN 23 -2.876 1.104 10.976 166 H ARG 24 H ARG 24 -0.883 -2.482 6.387 167 HA ARG 24 HA ARG 24 1.340 -0.751 7.083 168 1HB ARG 24 1HB ARG 24 1.625 -1.979 9.248 169 2HB ARG 24 2HB ARG 24 0.280 -0.860 9.175 170 1HG ARG 24 1HG ARG 24 -1.280 -2.659 8.885 171 2HG ARG 24 2HG ARG 24 0.021 -3.822 8.732 172 1HD ARG 24 1HD ARG 24 0.616 -2.828 11.128 173 2HD ARG 24 2HD ARG 24 -1.117 -2.564 11.135 174 HE ARG 24 HE ARG 24 -0.894 -5.145 10.288 175 1HH1 ARG 24 1HH2 ARG 24 0.201 -3.460 13.119 176 2HH1 ARG 24 2HH2 ARG 24 0.229 -4.911 14.095 177 1HH2 ARG 24 1HH1 ARG 24 -0.790 -6.997 11.568 178 2HH2 ARG 24 2HH1 ARG 24 -0.314 -6.850 13.246 179 H LYS 25 H LYS 25 0.586 -2.913 5.047 180 HA LYS 25 HA LYS 25 3.051 -4.442 5.214 181 1HB LYS 25 1HB LYS 25 1.636 -5.890 6.490 182 2HB LYS 25 2HB LYS 25 0.369 -5.794 5.284 183 1HG LYS 25 1HG LYS 25 1.437 -7.200 3.848 184 2HG LYS 25 2HG LYS 25 3.030 -6.691 4.369 185 1HD LYS 25 1HD LYS 25 1.370 -8.164 6.333 186 2HD LYS 25 2HD LYS 25 2.049 -9.080 5.003 187 1HE LYS 25 1HE LYS 25 4.257 -8.432 5.553 188 2HE LYS 25 2HE LYS 25 3.695 -7.175 6.637 189 1HZ LYS 25 1HZ LYS 25 2.842 -8.860 8.070 190 2HZ LYS 25 2HZ LYS 25 3.373 -10.048 7.046 191 3HZ LYS 25 3HZ LYS 25 4.464 -9.076 7.823 192 H ASP 26 H ASP 26 0.179 -5.307 3.366 193 HA ASP 26 HA ASP 26 1.507 -5.259 0.899 194 1HB ASP 26 1HB ASP 26 -1.397 -4.829 1.494 195 2HB ASP 26 2HB ASP 26 -0.723 -5.221 -0.075 196 H LEU 27 H LEU 27 0.921 -3.717 -0.955 197 HA LEU 27 HA LEU 27 1.700 -1.423 -1.334 198 1HB LEU 27 1HB LEU 27 -1.251 -1.744 -1.575 199 2HB LEU 27 2HB LEU 27 -0.293 -0.517 -2.379 200 HG LEU 27 HG LEU 27 -0.759 -2.148 -3.935 201 1HD1 LEU 27 1HD1 LEU 27 1.440 -1.269 -4.095 202 2HD1 LEU 27 2HD1 LEU 27 2.048 -2.534 -2.972 203 3HD1 LEU 27 3HD1 LEU 27 1.424 -2.997 -4.593 204 1HD2 LEU 27 1HD2 LEU 27 0.287 -4.292 -2.093 205 2HD2 LEU 27 2HD2 LEU 27 -1.421 -4.047 -2.602 206 3HD2 LEU 27 3HD2 LEU 27 -0.179 -4.515 -3.815 207 H SER 28 H SER 28 2.505 -0.517 0.546 208 HA SER 28 HA SER 28 0.659 1.222 2.047 209 1HB SER 28 1HB SER 28 0.621 -0.676 3.458 210 2HB SER 28 2HB SER 28 2.355 -0.893 3.332 211 HG SER 28 HG SER 28 1.734 0.061 5.320 212 H SER 29 H SER 29 2.535 1.637 -0.017 213 HA SER 29 HA SER 29 4.006 3.812 1.054 214 1HB SER 29 1HB SER 29 5.479 1.947 1.860 215 2HB SER 29 2HB SER 29 5.734 1.502 0.184 216 HG SER 29 HG SER 29 7.347 2.983 0.953 217 H CYS 30 H CYS 30 3.537 1.476 -1.565 218 HA CYS 30 HA CYS 30 4.764 2.832 -3.660 219 1HB CYS 30 1HB CYS 30 2.126 1.419 -3.812 220 2HB CYS 30 2HB CYS 30 3.319 1.593 -5.082 221 H GLU 31 H GLU 31 1.369 3.159 -2.562 222 HA GLU 31 HA GLU 31 0.974 5.461 -4.268 223 1HB GLU 31 1HB GLU 31 -0.590 3.760 -2.573 224 2HB GLU 31 2HB GLU 31 -0.956 5.441 -2.242 225 1HG GLU 31 1HG GLU 31 -2.457 4.712 -3.948 226 2HG GLU 31 2HG GLU 31 -1.275 5.750 -4.718 227 H ARG 32 H ARG 32 1.979 4.942 -0.936 228 HA ARG 32 HA ARG 32 1.678 7.599 -0.014 229 1HB ARG 32 1HB ARG 32 2.281 5.440 1.245 230 2HB ARG 32 2HB ARG 32 3.931 5.830 0.806 231 1HG ARG 32 1HG ARG 32 3.851 6.952 2.799 232 2HG ARG 32 2HG ARG 32 3.189 8.214 1.780 233 1HD ARG 32 1HD ARG 32 1.758 7.987 3.679 234 2HD ARG 32 2HD ARG 32 0.914 7.331 2.291 235 HE ARG 32 HE ARG 32 2.100 5.120 3.317 236 1HH1 ARG 32 1HH2 ARG 32 0.137 7.540 4.853 237 2HH1 ARG 32 2HH2 ARG 32 -0.480 6.418 6.045 238 1HH2 ARG 32 1HH1 ARG 32 1.290 3.723 4.841 239 2HH2 ARG 32 2HH1 ARG 32 0.157 4.308 6.038 240 H TYR 33 H TYR 33 4.193 6.102 -1.931 241 HA TYR 33 HA TYR 33 6.271 7.947 -1.737 242 1HB TYR 33 1HB TYR 33 6.495 5.757 -2.745 243 2HB TYR 33 2HB TYR 33 5.367 6.198 -4.011 244 HD1 TYR 33 1HD TYR 33 6.221 6.766 -6.056 245 HD2 TYR 33 2HD TYR 33 8.519 7.526 -2.503 246 HE1 TYR 33 1HE TYR 33 8.134 7.504 -7.486 247 HE2 TYR 33 2HE TYR 33 10.290 8.577 -3.913 248 HH TYR 33 HH TYR 33 11.101 8.795 -5.958 249 H LEU 34 H LEU 34 3.565 7.744 -4.036 250 HA LEU 34 HA LEU 34 4.213 10.232 -5.301 251 1HB LEU 34 1HB LEU 34 2.562 9.728 -6.729 252 2HB LEU 34 2HB LEU 34 2.830 8.133 -6.054 253 HG LEU 34 HG LEU 34 0.955 8.906 -4.387 254 1HD1 LEU 34 1HD1 LEU 34 0.621 11.167 -5.194 255 2HD1 LEU 34 2HD1 LEU 34 0.229 10.535 -6.831 256 3HD1 LEU 34 3HD1 LEU 34 -0.862 10.182 -5.447 257 1HD2 LEU 34 1HD2 LEU 34 0.452 7.848 -7.155 258 2HD2 LEU 34 2HD2 LEU 34 0.889 6.907 -5.687 259 3HD2 LEU 34 3HD2 LEU 34 -0.698 7.746 -5.776 260 H ARG 35 H ARG 35 2.386 9.349 -2.491 261 HA ARG 35 HA ARG 35 0.865 11.742 -2.233 262 1HB ARG 35 1HB ARG 35 0.448 9.573 -1.016 263 2HB ARG 35 2HB ARG 35 1.792 9.996 0.027 264 1HG ARG 35 1HG ARG 35 0.286 12.297 0.058 265 2HG ARG 35 2HG ARG 35 -0.944 11.050 -0.012 266 1HD ARG 35 1HD ARG 35 -0.213 10.062 1.987 267 2HD ARG 35 2HD ARG 35 1.325 10.896 1.935 268 HE ARG 35 HE ARG 35 -0.632 12.880 2.061 269 1HH1 ARG 35 1HH2 ARG 35 0.413 10.296 4.151 270 2HH1 ARG 35 2HH2 ARG 35 -0.066 11.153 5.598 271 1HH2 ARG 35 1HH1 ARG 35 -1.211 13.925 3.955 272 2HH2 ARG 35 2HH1 ARG 35 -0.951 13.130 5.491 273 H GLN 36 H GLN 36 4.041 10.744 -1.118 274 HA GLN 36 HA GLN 36 4.533 13.217 0.253 275 1HB GLN 36 1HB GLN 36 5.657 10.648 0.300 276 2HB GLN 36 2HB GLN 36 6.937 11.736 -0.196 277 1HG GLN 36 1HG GLN 36 5.184 12.036 2.245 278 2HG GLN 36 2HG GLN 36 6.875 11.574 2.239 279 1HE2 GLN 36 2HE2 GLN 36 8.493 13.225 2.002 280 2HE2 GLN 36 1HE2 GLN 36 8.076 14.923 2.013 281 H SER 37 H SER 37 7.134 13.821 -0.389 282 HA SER 37 HA SER 37 7.234 14.372 -3.266 283 1HB SER 37 1HB SER 37 6.116 16.311 -2.366 284 2HB SER 37 2HB SER 37 7.328 16.473 -1.110 285 HG SER 37 HG SER 37 7.705 17.889 -2.878 286 H SER 38 H SER 38 8.839 14.648 -0.100 287 HA SER 38 HA SER 38 11.291 13.550 -1.161 288 1HB SER 38 1HB SER 38 11.017 16.365 -1.211 289 2HB SER 38 2HB SER 38 12.109 15.975 0.103 290 HG SER 38 HG SER 38 13.207 16.184 -1.916 291 H SER 39 H SER 39 11.514 12.050 0.352 292 HA SER 39 HA SER 39 12.215 12.787 3.034 293 1HB SER 39 1HB SER 39 10.365 11.231 4.003 294 2HB SER 39 2HB SER 39 9.967 12.900 3.648 295 HG SER 39 HG SER 39 8.417 11.428 2.795 296 H ARG 40 H ARG 40 12.630 10.846 4.370 297 HA ARG 40 HA ARG 40 12.810 8.282 3.121 298 1HB ARG 40 1HB ARG 40 14.780 9.881 2.228 299 2HB ARG 40 2HB ARG 40 15.545 9.249 3.672 300 1HG ARG 40 1HG ARG 40 14.143 7.307 1.926 301 2HG ARG 40 2HG ARG 40 15.649 7.971 1.328 302 1HD ARG 40 1HD ARG 40 16.671 7.311 3.555 303 2HD ARG 40 2HD ARG 40 15.201 6.404 3.855 304 HE ARG 40 HE ARG 40 15.972 4.760 2.459 305 1HH1 ARG 40 1HH2 ARG 40 17.708 7.677 1.644 306 2HH1 ARG 40 2HH2 ARG 40 18.654 6.880 0.406 307 1HH2 ARG 40 1HH1 ARG 40 17.159 3.809 0.839 308 2HH2 ARG 40 2HH1 ARG 40 18.349 4.745 -0.037 309 H ARG 41 H ARG 41 14.811 10.075 5.386 310 HA ARG 41 HA ARG 41 13.753 9.125 7.786 311 1HB ARG 41 1HB ARG 41 15.093 7.071 6.532 312 2HB ARG 41 2HB ARG 41 16.307 7.723 7.614 313 1HG ARG 41 1HG ARG 41 15.143 6.193 8.980 314 2HG ARG 41 2HG ARG 41 14.413 7.733 9.387 315 1HD ARG 41 1HD ARG 41 12.518 7.283 7.991 316 2HD ARG 41 2HD ARG 41 13.284 5.856 7.322 317 HE ARG 41 HE ARG 41 13.243 5.261 9.952 318 1HH1 ARG 41 1HH2 ARG 41 10.699 6.447 7.884 319 2HH1 ARG 41 2HH2 ARG 41 9.449 5.643 8.806 320 1HH2 ARG 41 1HH1 ARG 41 11.612 4.243 11.079 321 2HH2 ARG 41 2HH1 ARG 41 9.952 4.431 10.563 322 H SER 42 H SER 42 15.640 9.170 9.539 323 HA SER 42 HA SER 42 16.844 11.791 9.351 324 1HB SER 42 1HB SER 42 15.778 10.446 11.399 325 2HB SER 42 2HB SER 42 17.460 10.007 11.623 326 HG SER 42 HG SER 42 16.918 11.981 12.704 327 H THR 43 H THR 43 19.102 11.185 10.972 328 HA THR 43 HA THR 43 21.099 10.715 9.005 329 HB THR 43 HB THR 43 22.629 11.061 10.864 330 HG1 THR 43 1HG THR 43 21.743 11.295 12.969 331 1HG2 THR 43 1HG2 THR 43 21.510 13.086 9.940 332 2HG2 THR 43 2HG2 THR 43 20.176 12.860 11.125 333 3HG2 THR 43 3HG2 THR 43 21.833 13.254 11.700 334 H GLY 44 H GLY 44 21.478 8.775 8.144 335 1HA GLY 44 1HA GLY 44 22.387 6.602 8.234 336 2HA GLY 44 2HA GLY 44 21.922 6.470 9.918 337 H GLU 45 H GLU 45 21.285 5.382 6.880 338 HA GLU 45 HA GLU 45 18.846 4.083 7.730 339 1HB GLU 45 1HB GLU 45 18.109 6.336 6.841 340 2HB GLU 45 2HB GLU 45 18.640 5.784 5.265 341 1HG GLU 45 1HG GLU 45 16.339 5.295 5.370 342 2HG GLU 45 2HG GLU 45 17.171 3.770 5.601 343 H GLU 46 H GLU 46 20.656 2.506 7.526 344 HA GLU 46 HA GLU 46 21.461 1.787 4.853 345 1HB GLU 46 1HB GLU 46 22.549 1.345 7.324 346 2HB GLU 46 2HB GLU 46 21.936 -0.237 6.884 347 1HG GLU 46 1HG GLU 46 23.667 -0.532 5.488 348 2HG GLU 46 2HG GLU 46 23.205 0.903 4.595 349 H VAL 47 H VAL 47 19.601 1.414 3.702 350 HA VAL 47 HA VAL 47 17.679 -0.544 4.672 351 HB VAL 47 HB VAL 47 17.603 0.788 2.001 352 1HG1 VAL 47 1HG1 VAL 47 16.086 -1.125 2.255 353 2HG1 VAL 47 2HG1 VAL 47 15.425 -0.401 3.761 354 3HG1 VAL 47 3HG1 VAL 47 15.159 0.413 2.180 355 1HG2 VAL 47 1HG2 VAL 47 16.454 1.840 4.613 356 2HG2 VAL 47 2HG2 VAL 47 17.803 2.573 3.679 357 3HG2 VAL 47 3HG2 VAL 47 16.147 2.531 2.982 358 H LEU 48 H LEU 48 19.986 -1.753 4.576 359 HA LEU 48 HA LEU 48 19.620 -3.848 2.673 360 1HB LEU 48 1HB LEU 48 21.451 -3.640 1.324 361 2HB LEU 48 2HB LEU 48 20.835 -2.004 1.438 362 HG LEU 48 HG LEU 48 22.924 -2.672 3.378 363 1HD1 LEU 48 1HD1 LEU 48 23.786 -3.940 1.479 364 2HD1 LEU 48 2HD1 LEU 48 23.588 -2.496 0.427 365 3HD1 LEU 48 3HD1 LEU 48 24.782 -2.472 1.771 366 1HD2 LEU 48 1HD2 LEU 48 22.500 -0.368 1.459 367 2HD2 LEU 48 2HD2 LEU 48 22.002 -0.425 3.186 368 3HD2 LEU 48 3HD2 LEU 48 23.747 -0.436 2.752 369 H ARG 49 H ARG 49 19.776 -3.316 5.598 370 HA ARG 49 HA ARG 49 22.151 -4.675 6.481 371 1HB ARG 49 1HB ARG 49 20.299 -2.944 7.654 372 2HB ARG 49 2HB ARG 49 20.221 -4.435 8.569 373 1HG ARG 49 1HG ARG 49 22.799 -3.044 7.850 374 2HG ARG 49 2HG ARG 49 21.971 -2.824 9.379 375 1HD ARG 49 1HD ARG 49 22.245 -5.157 9.922 376 2HD ARG 49 2HD ARG 49 22.924 -5.485 8.340 377 HE ARG 49 HE ARG 49 24.441 -3.467 9.676 378 1HH1 ARG 49 1HH2 ARG 49 23.958 -6.925 9.738 379 2HH1 ARG 49 2HH2 ARG 49 25.558 -7.223 10.380 380 1HH2 ARG 49 1HH1 ARG 49 26.455 -3.910 10.478 381 2HH2 ARG 49 2HH1 ARG 49 26.931 -5.565 10.787 382 H MET 50 H MET 50 20.391 -6.200 4.715 383 HA MET 50 HA MET 50 20.338 -8.755 5.729 384 1HB MET 50 1HB MET 50 18.263 -7.191 6.922 385 2HB MET 50 2HB MET 50 17.544 -8.390 5.866 386 1HG MET 50 1HG MET 50 17.966 -10.015 7.310 387 2HG MET 50 2HG MET 50 19.651 -9.551 7.423 388 1HE MET 50 1HE MET 50 16.615 -10.213 9.281 389 2HE MET 50 2HE MET 50 18.204 -10.878 9.799 390 3HE MET 50 3HE MET 50 17.274 -9.808 10.904 391 HA PRO 51 HA PRO 51 17.389 -8.577 2.029 392 1HB PRO 51 1HB PRO 51 16.451 -6.181 1.095 393 2HB PRO 51 2HB PRO 51 15.589 -7.208 2.224 394 1HG PRO 51 1HG PRO 51 16.996 -4.656 2.748 395 2HG PRO 51 2HG PRO 51 15.772 -5.450 3.717 396 1HD PRO 51 1HD PRO 51 18.564 -5.439 4.156 397 2HD PRO 51 2HD PRO 51 17.351 -6.333 5.051 398 H GLY 52 H GLY 52 18.337 -5.300 1.121 399 1HA GLY 52 1HA GLY 52 19.841 -4.510 -0.398 400 2HA GLY 52 2HA GLY 52 20.861 -5.890 -0.041 401 H ASP 53 H ASP 53 19.753 -8.037 -1.006 402 HA ASP 53 HA ASP 53 19.876 -8.057 -3.786 403 1HB ASP 53 1HB ASP 53 18.821 -9.878 -1.694 404 2HB ASP 53 2HB ASP 53 18.280 -10.167 -3.335 405 H GLU 54 H GLU 54 17.031 -7.873 -1.671 406 HA GLU 54 HA GLU 54 14.939 -7.987 -3.453 407 1HB GLU 54 1HB GLU 54 15.403 -6.909 -0.831 408 2HB GLU 54 2HB GLU 54 14.372 -5.824 -1.743 409 1HG GLU 54 1HG GLU 54 12.789 -7.554 -2.162 410 2HG GLU 54 2HG GLU 54 13.875 -8.779 -1.538 411 H ASN 55 H ASN 55 13.572 -6.247 -4.412 412 HA ASN 55 HA ASN 55 13.504 -4.780 -6.161 413 1HB ASN 55 1HB ASN 55 13.669 -3.108 -4.456 414 2HB ASN 55 2HB ASN 55 15.411 -3.284 -4.383 415 1HD2 ASN 55 2HD2 ASN 55 12.713 -2.245 -6.344 416 2HD2 ASN 55 1HD2 ASN 55 13.610 -1.095 -7.311 417 H GLN 56 H GLN 56 14.275 -6.143 -7.771 418 HA GLN 56 HA GLN 56 16.926 -6.680 -8.398 419 1HB GLN 56 1HB GLN 56 14.499 -7.010 -9.649 420 2HB GLN 56 2HB GLN 56 15.374 -5.968 -10.753 421 1HG GLN 56 1HG GLN 56 16.935 -8.202 -9.675 422 2HG GLN 56 2HG GLN 56 15.585 -8.677 -10.686 423 1HE2 GLN 56 2HE2 GLN 56 17.455 -9.595 -11.944 424 2HE2 GLN 56 1HE2 GLN 56 18.188 -8.547 -13.137 425 H GLN 57 H GLN 57 18.341 -5.783 -10.098 426 HA GLN 57 HA GLN 57 19.313 -3.316 -9.604 427 1HB GLN 57 1HB GLN 57 19.671 -5.263 -11.602 428 2HB GLN 57 2HB GLN 57 19.542 -3.716 -12.416 429 1HG GLN 57 1HG GLN 57 21.343 -2.802 -11.198 430 2HG GLN 57 2HG GLN 57 21.294 -4.087 -10.007 431 1HE2 GLN 57 2HE2 GLN 57 23.582 -3.145 -11.580 432 2HE2 GLN 57 1HE2 GLN 57 24.140 -4.531 -12.490 433 H GLN 58 H GLN 58 18.427 -1.416 -9.459 434 HA GLN 58 HA GLN 58 17.045 -0.271 -11.726 435 1HB GLN 58 1HB GLN 58 15.417 -1.641 -10.009 436 2HB GLN 58 2HB GLN 58 15.376 -0.032 -9.318 437 1HG GLN 58 1HG GLN 58 15.046 0.669 -11.843 438 2HG GLN 58 2HG GLN 58 14.443 -0.970 -11.984 439 1HE2 GLN 58 2HE2 GLN 58 13.061 1.611 -12.302 440 2HE2 GLN 58 1HE2 GLN 58 11.740 1.593 -11.156 441 H GLU 59 H GLU 59 16.850 1.967 -11.588 442 HA GLU 59 HA GLU 59 18.635 3.177 -9.599 443 1HB GLU 59 1HB GLU 59 18.637 5.111 -11.114 444 2HB GLU 59 2HB GLU 59 19.213 3.633 -11.855 445 1HG GLU 59 1HG GLU 59 17.674 3.794 -13.470 446 2HG GLU 59 2HG GLU 59 16.387 3.865 -12.284 447 H SER 60 H SER 60 16.838 2.792 -7.951 448 HA SER 60 HA SER 60 15.578 5.296 -7.454 449 1HB SER 60 1HB SER 60 14.011 4.421 -9.238 450 2HB SER 60 2HB SER 60 13.596 3.128 -8.132 451 HG SER 60 HG SER 60 12.227 5.001 -7.842 452 H GLN 61 H GLN 61 16.447 5.151 -5.453 453 HA GLN 61 HA GLN 61 16.281 2.851 -3.798 454 1HB GLN 61 1HB GLN 61 16.709 4.498 -1.947 455 2HB GLN 61 2HB GLN 61 17.870 4.524 -3.257 456 1HG GLN 61 1HG GLN 61 17.105 6.561 -4.073 457 2HG GLN 61 2HG GLN 61 15.539 6.393 -3.304 458 1HE2 GLN 61 2HE2 GLN 61 15.191 7.539 -1.503 459 2HE2 GLN 61 1HE2 GLN 61 16.443 8.162 -0.451 460 H GLN 62 H GLN 62 13.943 5.323 -4.530 461 HA GLN 62 HA GLN 62 12.306 4.850 -2.196 462 1HB GLN 62 1HB GLN 62 11.594 6.192 -4.779 463 2HB GLN 62 2HB GLN 62 10.724 6.308 -3.263 464 1HG GLN 62 1HG GLN 62 11.978 8.049 -2.664 465 2HG GLN 62 2HG GLN 62 13.425 7.069 -2.796 466 1HE2 GLN 62 2HE2 GLN 62 12.123 9.894 -3.820 467 2HE2 GLN 62 1HE2 GLN 62 12.936 10.053 -5.361 468 H LEU 63 H LEU 63 11.945 4.155 -5.711 469 HA LEU 63 HA LEU 63 9.665 2.555 -5.489 470 1HB LEU 63 1HB LEU 63 11.751 3.020 -7.415 471 2HB LEU 63 2HB LEU 63 11.242 1.343 -7.417 472 HG LEU 63 HG LEU 63 9.952 2.339 -9.042 473 1HD1 LEU 63 1HD1 LEU 63 8.688 0.914 -7.541 474 2HD1 LEU 63 2HD1 LEU 63 8.337 2.326 -6.485 475 3HD1 LEU 63 3HD1 LEU 63 7.656 2.255 -8.147 476 1HD2 LEU 63 1HD2 LEU 63 9.394 4.631 -7.143 477 2HD2 LEU 63 2HD2 LEU 63 10.472 4.679 -8.581 478 3HD2 LEU 63 3HD2 LEU 63 8.702 4.442 -8.792 479 H GLN 64 H GLN 64 13.020 1.750 -4.803 480 HA GLN 64 HA GLN 64 12.736 -0.999 -4.445 481 1HB GLN 64 1HB GLN 64 14.911 -0.158 -4.402 482 2HB GLN 64 2HB GLN 64 14.523 1.024 -3.170 483 1HG GLN 64 1HG GLN 64 14.490 -0.573 -1.472 484 2HG GLN 64 2HG GLN 64 14.304 -1.902 -2.599 485 1HE2 GLN 64 2HE2 GLN 64 16.024 -2.677 -1.028 486 2HE2 GLN 64 1HE2 GLN 64 17.681 -2.340 -1.476 487 H GLN 65 H GLN 65 11.809 1.655 -2.263 488 HA GLN 65 HA GLN 65 11.168 -0.001 -0.084 489 1HB GLN 65 1HB GLN 65 11.098 2.731 -0.625 490 2HB GLN 65 2HB GLN 65 9.442 2.293 -0.260 491 1HG GLN 65 1HG GLN 65 11.847 1.737 1.462 492 2HG GLN 65 2HG GLN 65 10.624 2.955 1.763 493 1HE2 GLN 65 2HE2 GLN 65 11.591 -0.255 2.347 494 2HE2 GLN 65 1HE2 GLN 65 10.118 -0.811 3.109 495 H CYS 66 H CYS 66 9.201 1.053 -2.885 496 HA CYS 66 HA CYS 66 6.839 -0.236 -1.958 497 1HB CYS 66 1HB CYS 66 6.589 1.464 -3.586 498 2HB CYS 66 2HB CYS 66 7.719 0.677 -4.670 499 H CYS 67 H CYS 67 9.361 -1.256 -4.338 500 HA CYS 67 HA CYS 67 8.236 -3.771 -4.870 501 1HB CYS 67 1HB CYS 67 10.266 -2.465 -5.877 502 2HB CYS 67 2HB CYS 67 11.170 -3.451 -4.746 503 H ASN 68 H ASN 68 10.436 -2.757 -2.287 504 HA ASN 68 HA ASN 68 10.728 -5.318 -1.066 505 1HB ASN 68 1HB ASN 68 11.289 -2.509 -0.191 506 2HB ASN 68 2HB ASN 68 11.478 -3.859 0.909 507 1HD2 ASN 68 2HD2 ASN 68 12.187 -3.795 -2.561 508 2HD2 ASN 68 1HD2 ASN 68 13.915 -4.012 -2.402 509 H GLN 69 H GLN 69 8.371 -2.773 -0.834 510 HA GLN 69 HA GLN 69 7.165 -3.653 1.633 511 1HB GLN 69 1HB GLN 69 6.536 -1.607 -0.436 512 2HB GLN 69 2HB GLN 69 5.268 -2.120 0.659 513 1HG GLN 69 1HG GLN 69 7.845 -1.556 1.927 514 2HG GLN 69 2HG GLN 69 7.070 -0.166 1.192 515 1HE2 GLN 69 2HE2 GLN 69 7.394 0.231 3.692 516 2HE2 GLN 69 1HE2 GLN 69 5.926 -0.022 4.608 517 H VAL 70 H VAL 70 6.095 -3.629 -1.762 518 HA VAL 70 HA VAL 70 3.894 -5.316 -1.475 519 HB VAL 70 HB VAL 70 5.701 -5.127 -3.847 520 1HG1 VAL 70 1HG1 VAL 70 4.103 -6.982 -3.930 521 2HG1 VAL 70 2HG1 VAL 70 2.767 -5.841 -3.548 522 3HG1 VAL 70 3HG1 VAL 70 3.652 -5.699 -5.106 523 1HG2 VAL 70 1HG2 VAL 70 3.313 -3.392 -3.122 524 2HG2 VAL 70 2HG2 VAL 70 5.030 -2.859 -3.144 525 3HG2 VAL 70 3HG2 VAL 70 4.217 -3.338 -4.675 526 H LYS 71 H LYS 71 7.311 -6.069 -1.472 527 HA LYS 71 HA LYS 71 7.027 -8.852 -1.927 528 1HB LYS 71 1HB LYS 71 9.121 -7.201 -1.648 529 2HB LYS 71 2HB LYS 71 9.124 -7.953 -0.067 530 1HG LYS 71 1HG LYS 71 10.354 -9.545 -1.161 531 2HG LYS 71 2HG LYS 71 8.765 -10.144 -1.589 532 1HD LYS 71 1HD LYS 71 9.126 -8.317 -3.550 533 2HD LYS 71 2HD LYS 71 10.787 -8.800 -3.273 534 1HE LYS 71 1HE LYS 71 8.823 -10.997 -3.453 535 2HE LYS 71 2HE LYS 71 9.116 -10.114 -4.938 536 1HZ LYS 71 1HZ LYS 71 11.443 -10.556 -4.684 537 2HZ LYS 71 2HZ LYS 71 11.166 -11.390 -3.280 538 3HZ LYS 71 3HZ LYS 71 10.585 -11.972 -4.718 539 H GLN 72 H GLN 72 6.143 -6.976 0.775 540 HA GLN 72 HA GLN 72 5.931 -9.254 2.564 541 1HB GLN 72 1HB GLN 72 5.904 -6.313 2.874 542 2HB GLN 72 2HB GLN 72 4.986 -7.254 4.033 543 1HG GLN 72 1HG GLN 72 7.756 -8.131 3.396 544 2HG GLN 72 2HG GLN 72 7.552 -6.725 4.421 545 1HE2 GLN 72 2HE2 GLN 72 7.225 -10.195 4.201 546 2HE2 GLN 72 1HE2 GLN 72 6.721 -10.460 5.856 547 H VAL 73 H VAL 73 4.113 -8.149 0.059 548 HA VAL 73 HA VAL 73 1.515 -8.050 1.171 549 HB VAL 73 HB VAL 73 2.541 -8.654 -1.562 550 1HG1 VAL 73 1HG1 VAL 73 0.389 -9.812 -1.397 551 2HG1 VAL 73 2HG1 VAL 73 -0.362 -8.294 -0.795 552 3HG1 VAL 73 3HG1 VAL 73 0.293 -8.372 -2.468 553 1HG2 VAL 73 1HG2 VAL 73 1.113 -6.280 -0.333 554 2HG2 VAL 73 2HG2 VAL 73 2.860 -6.382 -0.744 555 3HG2 VAL 73 3HG2 VAL 73 1.626 -6.410 -2.051 556 H ARG 74 H ARG 74 -0.031 -9.507 1.534 557 HA ARG 74 HA ARG 74 0.630 -12.126 2.207 558 1HB ARG 74 1HB ARG 74 -2.134 -11.305 1.436 559 2HB ARG 74 2HB ARG 74 -1.653 -12.617 2.493 560 1HG ARG 74 1HG ARG 74 -1.415 -9.669 2.981 561 2HG ARG 74 2HG ARG 74 -2.327 -10.843 3.907 562 1HD ARG 74 1HD ARG 74 0.188 -11.865 4.095 563 2HD ARG 74 2HD ARG 74 0.521 -10.145 4.052 564 HE ARG 74 HE ARG 74 -0.463 -9.889 6.139 565 1HH1 ARG 74 1HH2 ARG 74 -1.082 -13.136 4.953 566 2HH1 ARG 74 2HH2 ARG 74 -1.761 -13.655 6.479 567 1HH2 ARG 74 1HH1 ARG 74 -1.367 -10.605 8.025 568 2HH2 ARG 74 2HH1 ARG 74 -1.917 -12.258 8.171 569 H ASP 75 H ASP 75 -1.461 -11.301 -0.501 570 HA ASP 75 HA ASP 75 -0.266 -12.734 -2.571 571 1HB ASP 75 1HB ASP 75 -2.167 -14.347 -0.901 572 2HB ASP 75 2HB ASP 75 -1.962 -14.658 -2.613 573 H GLU 76 H GLU 76 -3.620 -13.252 -1.628 574 HA GLU 76 HA GLU 76 -4.630 -11.820 -3.905 575 1HB GLU 76 1HB GLU 76 -6.777 -12.629 -3.283 576 2HB GLU 76 2HB GLU 76 -5.613 -13.928 -3.106 577 1HG GLU 76 1HG GLU 76 -5.853 -14.020 -0.851 578 2HG GLU 76 2HG GLU 76 -6.147 -12.300 -0.704 579 H CYS 77 H CYS 77 -3.608 -10.778 -1.000 580 HA CYS 77 HA CYS 77 -5.538 -8.663 -0.676 581 1HB CYS 77 1HB CYS 77 -2.925 -9.241 0.654 582 2HB CYS 77 2HB CYS 77 -4.029 -7.964 1.122 583 H GLN 78 H GLN 78 -3.075 -9.155 -2.897 584 HA GLN 78 HA GLN 78 -1.733 -6.743 -3.130 585 1HB GLN 78 1HB GLN 78 -2.579 -8.892 -4.998 586 2HB GLN 78 2HB GLN 78 -2.038 -7.385 -5.708 587 1HG GLN 78 1HG GLN 78 0.055 -7.533 -4.548 588 2HG GLN 78 2HG GLN 78 -0.486 -8.960 -3.686 589 1HE2 GLN 78 2HE2 GLN 78 1.845 -9.334 -4.743 590 2HE2 GLN 78 1HE2 GLN 78 1.799 -10.145 -6.293 591 H CYS 79 H CYS 79 -4.621 -7.603 -5.073 592 HA CYS 79 HA CYS 79 -5.104 -4.969 -5.913 593 1HB CYS 79 1HB CYS 79 -6.568 -7.457 -5.935 594 2HB CYS 79 2HB CYS 79 -7.598 -6.051 -5.767 595 H GLU 80 H GLU 80 -6.860 -6.775 -3.348 596 HA GLU 80 HA GLU 80 -8.444 -4.882 -2.238 597 1HB GLU 80 1HB GLU 80 -8.288 -7.167 -1.422 598 2HB GLU 80 2HB GLU 80 -6.707 -6.835 -0.744 599 1HG GLU 80 1HG GLU 80 -7.918 -4.958 0.546 600 2HG GLU 80 2HG GLU 80 -9.378 -5.837 0.138 601 H ALA 81 H ALA 81 -4.943 -5.046 -1.813 602 HA ALA 81 HA ALA 81 -4.704 -2.976 0.058 603 1HB ALA 81 1HB ALA 81 -2.887 -4.523 -0.443 604 2HB ALA 81 2HB ALA 81 -2.794 -3.861 -2.112 605 3HB ALA 81 3HB ALA 81 -2.378 -2.819 -0.708 606 H ILE 82 H ILE 82 -4.189 -2.777 -3.510 607 HA ILE 82 HA ILE 82 -4.141 0.006 -3.651 608 HB ILE 82 HB ILE 82 -5.214 -1.958 -5.630 609 1HG1 ILE 82 1HG1 ILE 82 -2.955 -2.436 -5.027 610 2HG1 ILE 82 2HG1 ILE 82 -2.992 -1.757 -6.642 611 1HG2 ILE 82 1HG2 ILE 82 -6.000 0.293 -6.236 612 2HG2 ILE 82 2HG2 ILE 82 -4.311 0.900 -6.124 613 3HG2 ILE 82 3HG2 ILE 82 -4.753 -0.299 -7.389 614 1HD1 ILE 82 1HD1 ILE 82 -2.267 0.423 -5.765 615 2HD1 ILE 82 2HD1 ILE 82 -2.229 -0.275 -4.108 616 3HD1 ILE 82 3HD1 ILE 82 -1.095 -0.880 -5.365 617 H LYS 83 H LYS 83 -6.923 -2.162 -3.292 618 HA LYS 83 HA LYS 83 -8.807 -0.111 -3.875 619 1HB LYS 83 1HB LYS 83 -9.299 -2.628 -2.339 620 2HB LYS 83 2HB LYS 83 -10.493 -1.626 -3.140 621 1HG LYS 83 1HG LYS 83 -8.452 -3.448 -4.333 622 2HG LYS 83 2HG LYS 83 -10.169 -3.344 -4.665 623 1HD LYS 83 1HD LYS 83 -8.055 -1.393 -5.587 624 2HD LYS 83 2HD LYS 83 -8.910 -2.548 -6.589 625 1HE LYS 83 1HE LYS 83 -10.631 -1.143 -6.850 626 2HE LYS 83 2HE LYS 83 -10.787 -0.944 -5.116 627 1HZ LYS 83 1HZ LYS 83 -9.138 0.780 -5.214 628 2HZ LYS 83 2HZ LYS 83 -8.990 0.591 -6.853 629 3HZ LYS 83 3HZ LYS 83 -10.413 1.139 -6.208 630 H TYR 84 H TYR 84 -6.838 -0.539 -1.319 631 HA TYR 84 HA TYR 84 -8.400 0.944 0.660 632 1HB TYR 84 1HB TYR 84 -7.616 -1.226 1.392 633 2HB TYR 84 2HB TYR 84 -5.990 -0.850 0.858 634 HD1 TYR 84 1HD TYR 84 -4.443 0.181 2.303 635 HD2 TYR 84 2HD TYR 84 -8.665 0.326 3.128 636 HE1 TYR 84 1HE TYR 84 -4.011 1.344 4.477 637 HE2 TYR 84 2HE TYR 84 -8.207 1.049 5.469 638 HH TYR 84 HH TYR 84 -6.721 1.880 6.808 639 H ILE 85 H ILE 85 -4.939 0.586 -0.182 640 HA ILE 85 HA ILE 85 -4.226 3.094 0.785 641 HB ILE 85 HB ILE 85 -2.699 1.205 0.415 642 1HG1 ILE 85 1HG1 ILE 85 -0.780 2.554 -0.146 643 2HG1 ILE 85 2HG1 ILE 85 -1.818 3.775 -0.856 644 1HG2 ILE 85 1HG2 ILE 85 -3.339 0.538 -1.853 645 2HG2 ILE 85 2HG2 ILE 85 -2.744 2.116 -2.476 646 3HG2 ILE 85 3HG2 ILE 85 -1.588 0.938 -1.761 647 1HD1 ILE 85 1HD1 ILE 85 -2.836 4.221 1.344 648 2HD1 ILE 85 2HD1 ILE 85 -1.770 2.970 2.072 649 3HD1 ILE 85 3HD1 ILE 85 -1.054 4.465 1.375 650 H ALA 86 H ALA 86 -4.809 2.130 -2.585 651 HA ALA 86 HA ALA 86 -4.618 4.810 -3.600 652 1HB ALA 86 1HB ALA 86 -3.827 2.934 -4.932 653 2HB ALA 86 2HB ALA 86 -5.472 2.210 -4.901 654 3HB ALA 86 3HB ALA 86 -5.189 3.763 -5.764 655 H GLU 87 H GLU 87 -6.366 4.932 -1.638 656 HA GLU 87 HA GLU 87 -8.754 5.932 -2.797 657 1HB GLU 87 1HB GLU 87 -9.006 3.307 -2.663 658 2HB GLU 87 2HB GLU 87 -9.362 3.657 -0.983 659 1HG GLU 87 1HG GLU 87 -11.443 3.706 -2.207 660 2HG GLU 87 2HG GLU 87 -11.036 5.351 -1.761 661 H ASP 88 H ASP 88 -7.361 4.602 0.213 662 HA ASP 88 HA ASP 88 -8.818 6.124 2.059 663 1HB ASP 88 1HB ASP 88 -6.749 4.283 2.194 664 2HB ASP 88 2HB ASP 88 -6.022 5.760 2.790 665 H GLN 89 H GLN 89 -5.582 6.738 0.624 666 HA GLN 89 HA GLN 89 -5.256 9.326 1.647 667 1HB GLN 89 1HB GLN 89 -3.590 9.620 -0.077 668 2HB GLN 89 2HB GLN 89 -3.453 8.041 0.670 669 1HG GLN 89 1HG GLN 89 -4.492 6.986 -1.214 670 2HG GLN 89 2HG GLN 89 -4.885 8.536 -1.928 671 1HE2 GLN 89 2HE2 GLN 89 -1.852 7.342 -0.458 672 2HE2 GLN 89 1HE2 GLN 89 -0.872 7.667 -1.871 673 H ILE 90 H ILE 90 -7.298 8.263 -0.911 674 HA ILE 90 HA ILE 90 -7.577 10.788 -2.230 675 HB ILE 90 HB ILE 90 -9.452 8.447 -2.402 676 1HG1 ILE 90 1HG1 ILE 90 -7.296 7.511 -2.818 677 2HG1 ILE 90 2HG1 ILE 90 -8.083 7.733 -4.368 678 1HG2 ILE 90 1HG2 ILE 90 -10.234 10.521 -3.434 679 2HG2 ILE 90 2HG2 ILE 90 -8.699 10.628 -4.363 680 3HG2 ILE 90 3HG2 ILE 90 -9.849 9.283 -4.679 681 1HD1 ILE 90 1HD1 ILE 90 -6.774 9.759 -4.767 682 2HD1 ILE 90 2HD1 ILE 90 -5.966 9.531 -3.177 683 3HD1 ILE 90 3HD1 ILE 90 -5.724 8.326 -4.490 684 H GLN 91 H GLN 91 -9.510 8.901 0.060 685 HA GLN 91 HA GLN 91 -11.388 11.016 0.466 686 1HB GLN 91 1HB GLN 91 -10.889 8.340 1.575 687 2HB GLN 91 2HB GLN 91 -11.760 9.462 2.603 688 1HG GLN 91 1HG GLN 91 -13.453 9.796 0.980 689 2HG GLN 91 2HG GLN 91 -12.490 9.060 -0.286 690 1HE2 GLN 91 2HE2 GLN 91 -14.937 8.139 -0.224 691 2HE2 GLN 91 1HE2 GLN 91 -15.053 6.582 0.565 692 H GLN 92 H GLN 92 -8.438 10.051 2.104 693 HA GLN 92 HA GLN 92 -8.767 11.762 4.372 694 1HB GLN 92 1HB GLN 92 -7.162 9.589 3.805 695 2HB GLN 92 2HB GLN 92 -6.034 10.930 3.810 696 1HG GLN 92 1HG GLN 92 -6.306 11.326 6.034 697 2HG GLN 92 2HG GLN 92 -8.004 10.896 6.007 698 1HE2 GLN 92 2HE2 GLN 92 -5.603 10.050 7.759 699 2HE2 GLN 92 1HE2 GLN 92 -5.724 8.304 7.753 700 H GLY 93 H GLY 93 -6.475 11.770 1.672 701 1HA GLY 93 1HA GLY 93 -5.487 14.372 2.055 702 2HA GLY 93 2HA GLY 93 -5.462 13.463 0.558 703 H GLN 94 H GLN 94 -5.671 15.992 0.109 704 HA GLN 94 HA GLN 94 -8.400 16.891 0.153 705 1HB GLN 94 1HB GLN 94 -5.884 18.094 -0.086 706 2HB GLN 94 2HB GLN 94 -6.823 18.554 -1.493 707 1HG GLN 94 1HG GLN 94 -8.256 19.808 -0.271 708 2HG GLN 94 2HG GLN 94 -8.346 18.616 1.010 709 1HE2 GLN 94 2HE2 GLN 94 -8.013 19.794 2.823 710 2HE2 GLN 94 1HE2 GLN 94 -6.586 20.763 3.113 711 H LEU 95 H LEU 95 -8.105 14.407 -1.323 712 HA LEU 95 HA LEU 95 -8.149 15.217 -4.128 713 1HB LEU 95 1HB LEU 95 -7.930 12.594 -2.741 714 2HB LEU 95 2HB LEU 95 -8.146 12.736 -4.473 715 HG LEU 95 HG LEU 95 -5.817 12.311 -3.705 716 1HD1 LEU 95 1HD1 LEU 95 -6.374 13.157 -5.920 717 2HD1 LEU 95 2HD1 LEU 95 -6.392 14.833 -5.272 718 3HD1 LEU 95 3HD1 LEU 95 -4.854 13.903 -5.316 719 1HD2 LEU 95 1HD2 LEU 95 -5.895 15.229 -2.892 720 2HD2 LEU 95 2HD2 LEU 95 -5.681 13.840 -1.770 721 3HD2 LEU 95 3HD2 LEU 95 -4.429 14.195 -3.010 722 H HIS 96 H HIS 96 -10.130 16.179 -4.377 723 HA HIS 96 HA HIS 96 -12.416 14.360 -4.447 724 1HB HIS 96 1HB HIS 96 -12.406 16.831 -2.720 725 2HB HIS 96 2HB HIS 96 -13.820 15.860 -3.078 726 HD1 HIS 96 1HD HIS 96 -14.158 13.661 -1.647 727 HD2 HIS 96 2HD HIS 96 -10.582 15.770 -0.938 728 HE1 HIS 96 1HE HIS 96 -13.019 12.523 0.367 729 HE2 HIS 96 2HE HIS 96 -10.786 13.761 0.724 730 H GLY 97 H GLY 97 -14.405 15.538 -5.357 731 1HA GLY 97 1HA GLY 97 -15.327 16.989 -6.928 732 2HA GLY 97 2HA GLY 97 -13.837 17.910 -6.945 733 H GLU 98 H GLU 98 -12.010 17.034 -8.165 734 HA GLU 98 HA GLU 98 -12.371 14.870 -10.024 735 1HB GLU 98 1HB GLU 98 -13.731 16.780 -11.020 736 2HB GLU 98 2HB GLU 98 -12.193 17.563 -11.322 737 1HG GLU 98 1HG GLU 98 -11.459 15.720 -12.707 738 2HG GLU 98 2HG GLU 98 -12.878 14.782 -12.285 739 H GLU 99 H GLU 99 -10.538 15.667 -7.994 740 HA GLU 99 HA GLU 99 -8.108 15.870 -9.648 741 1HB GLU 99 1HB GLU 99 -7.056 17.190 -8.020 742 2HB GLU 99 2HB GLU 99 -8.638 17.893 -8.287 743 1HG GLU 99 1HG GLU 99 -9.466 16.750 -6.282 744 2HG GLU 99 2HG GLU 99 -7.864 16.095 -6.007 745 H SER 100 H SER 100 -9.947 13.823 -7.774 746 HA SER 100 HA SER 100 -7.844 12.418 -6.445 747 1HB SER 100 1HB SER 100 -9.652 10.654 -6.295 748 2HB SER 100 2HB SER 100 -9.989 12.210 -5.562 749 HG SER 100 HG SER 100 -11.722 11.467 -6.877 750 H GLU 101 H GLU 101 -9.146 12.297 -9.664 751 HA GLU 101 HA GLU 101 -8.147 9.692 -10.332 752 1HB GLU 101 1HB GLU 101 -9.957 11.169 -11.493 753 2HB GLU 101 2HB GLU 101 -8.590 11.862 -12.343 754 1HG GLU 101 1HG GLU 101 -8.752 10.124 -13.773 755 2HG GLU 101 2HG GLU 101 -8.140 9.120 -12.475 756 H ARG 102 H ARG 102 -6.790 12.932 -10.333 757 HA ARG 102 HA ARG 102 -4.484 12.349 -11.891 758 1HB ARG 102 1HB ARG 102 -3.713 14.433 -11.319 759 2HB ARG 102 2HB ARG 102 -5.445 14.624 -11.127 760 1HG ARG 102 1HG ARG 102 -4.887 13.846 -8.662 761 2HG ARG 102 2HG ARG 102 -3.313 14.500 -9.070 762 1HD ARG 102 1HD ARG 102 -4.309 16.641 -9.557 763 2HD ARG 102 2HD ARG 102 -5.901 15.995 -9.215 764 HE ARG 102 HE ARG 102 -4.541 15.427 -6.917 765 1HH1 ARG 102 1HH2 ARG 102 -4.910 18.367 -8.722 766 2HH1 ARG 102 2HH2 ARG 102 -4.729 19.386 -7.312 767 1HH2 ARG 102 1HH1 ARG 102 -4.308 16.729 -5.138 768 2HH2 ARG 102 2HH1 ARG 102 -4.392 18.468 -5.308 769 H VAL 103 H VAL 103 -5.290 11.632 -8.589 770 HA VAL 103 HA VAL 103 -2.549 11.070 -7.838 771 HB VAL 103 HB VAL 103 -5.186 11.073 -6.507 772 1HG1 VAL 103 1HG1 VAL 103 -4.331 8.841 -5.928 773 2HG1 VAL 103 2HG1 VAL 103 -2.788 9.603 -5.404 774 3HG1 VAL 103 3HG1 VAL 103 -4.315 9.964 -4.524 775 1HG2 VAL 103 1HG2 VAL 103 -2.375 11.981 -5.740 776 2HG2 VAL 103 2HG2 VAL 103 -3.660 13.028 -6.435 777 3HG2 VAL 103 3HG2 VAL 103 -3.869 12.315 -4.798 778 H ALA 104 H ALA 104 -5.317 9.363 -9.109 779 HA ALA 104 HA ALA 104 -4.434 6.724 -8.577 780 1HB ALA 104 1HB ALA 104 -6.752 7.285 -9.192 781 2HB ALA 104 2HB ALA 104 -6.183 7.835 -10.806 782 3HB ALA 104 3HB ALA 104 -6.054 6.100 -10.351 783 H GLN 105 H GLN 105 -3.933 8.899 -11.380 784 HA GLN 105 HA GLN 105 -2.407 7.051 -12.896 785 1HB GLN 105 1HB GLN 105 -1.522 9.032 -14.081 786 2HB GLN 105 2HB GLN 105 -3.271 8.999 -13.971 787 1HG GLN 105 1HG GLN 105 -3.281 10.614 -12.259 788 2HG GLN 105 2HG GLN 105 -1.547 10.494 -12.045 789 1HE2 GLN 105 2HE2 GLN 105 -1.809 12.868 -12.099 790 2HE2 GLN 105 1HE2 GLN 105 -1.731 13.637 -13.669 791 H ARG 106 H ARG 106 -1.443 9.363 -10.407 792 HA ARG 106 HA ARG 106 1.352 9.049 -10.672 793 1HB ARG 106 1HB ARG 106 -0.516 10.165 -8.752 794 2HB ARG 106 2HB ARG 106 0.929 9.509 -8.011 795 1HG ARG 106 1HG ARG 106 1.851 11.504 -8.416 796 2HG ARG 106 2HG ARG 106 1.934 10.995 -10.092 797 1HD ARG 106 1HD ARG 106 0.869 13.099 -10.089 798 2HD ARG 106 2HD ARG 106 -0.387 11.910 -10.363 799 HE ARG 106 HE ARG 106 -0.532 12.177 -7.683 800 1HH1 ARG 106 1HH2 ARG 106 -0.455 14.581 -10.186 801 2HH1 ARG 106 2HH2 ARG 106 -1.349 15.747 -9.235 802 1HH2 ARG 106 1HH1 ARG 106 -1.662 13.713 -6.482 803 2HH2 ARG 106 2HH1 ARG 106 -2.014 15.271 -7.198 804 H ALA 107 H ALA 107 -1.092 7.117 -9.061 805 HA ALA 107 HA ALA 107 0.701 5.476 -7.574 806 1HB ALA 107 1HB ALA 107 -1.663 5.720 -7.020 807 2HB ALA 107 2HB ALA 107 -2.106 4.983 -8.599 808 3HB ALA 107 3HB ALA 107 -1.260 4.000 -7.352 809 H GLY 108 H GLY 108 -0.965 5.075 -10.666 810 1HA GLY 108 1HA GLY 108 -0.123 2.651 -11.551 811 2HA GLY 108 2HA GLY 108 -0.339 4.047 -12.587 812 H GLU 109 H GLU 109 1.849 5.610 -11.592 813 HA GLU 109 HA GLU 109 4.091 4.722 -12.941 814 1HB GLU 109 1HB GLU 109 3.662 6.610 -10.693 815 2HB GLU 109 2HB GLU 109 5.306 6.163 -11.101 816 1HG GLU 109 1HG GLU 109 4.546 6.730 -13.540 817 2HG GLU 109 2HG GLU 109 3.301 7.657 -12.727 818 H ILE 110 H ILE 110 3.588 4.429 -9.427 819 HA ILE 110 HA ILE 110 5.857 2.733 -9.108 820 HB ILE 110 HB ILE 110 3.533 3.204 -7.276 821 1HG1 ILE 110 1HG1 ILE 110 4.435 5.281 -7.285 822 2HG1 ILE 110 2HG1 ILE 110 5.521 4.540 -6.127 823 1HG2 ILE 110 1HG2 ILE 110 4.680 1.114 -6.780 824 2HG2 ILE 110 2HG2 ILE 110 6.258 1.975 -6.785 825 3HG2 ILE 110 3HG2 ILE 110 5.037 2.341 -5.516 826 1HD1 ILE 110 1HD1 ILE 110 7.185 4.138 -7.908 827 2HD1 ILE 110 2HD1 ILE 110 6.071 4.898 -9.097 828 3HD1 ILE 110 3HD1 ILE 110 6.775 5.883 -7.767 829 H VAL 111 H VAL 111 2.535 2.197 -9.829 830 HA VAL 111 HA VAL 111 2.397 -0.525 -9.221 831 HB VAL 111 HB VAL 111 0.933 1.008 -11.298 832 1HG1 VAL 111 1HG1 VAL 111 0.819 -1.371 -11.832 833 2HG1 VAL 111 2HG1 VAL 111 0.308 -1.727 -10.145 834 3HG1 VAL 111 3HG1 VAL 111 -0.768 -0.779 -11.229 835 1HG2 VAL 111 1HG2 VAL 111 0.270 0.343 -8.411 836 2HG2 VAL 111 2HG2 VAL 111 0.688 1.961 -9.073 837 3HG2 VAL 111 3HG2 VAL 111 -0.843 1.157 -9.565 838 H SER 112 H SER 112 2.876 0.931 -12.425 839 HA SER 112 HA SER 112 3.693 -1.341 -13.787 840 1HB SER 112 1HB SER 112 3.150 0.720 -14.914 841 2HB SER 112 2HB SER 112 4.513 1.528 -14.165 842 HG SER 112 HG SER 112 4.947 0.905 -16.334 843 H SER 113 H SER 113 5.502 0.601 -11.516 844 HA SER 113 HA SER 113 8.071 -0.477 -12.168 845 1HB SER 113 1HB SER 113 6.936 1.385 -10.273 846 2HB SER 113 2HB SER 113 8.169 0.375 -9.546 847 HG SER 113 HG SER 113 9.042 2.259 -10.521 848 H CYS 114 H CYS 114 6.454 -0.846 -9.035 849 HA CYS 114 HA CYS 114 6.655 -3.736 -9.163 850 1HB CYS 114 1HB CYS 114 8.858 -2.633 -8.275 851 2HB CYS 114 2HB CYS 114 7.940 -2.524 -6.787 852 H GLY 115 H GLY 115 4.502 -1.855 -9.051 853 1HA GLY 115 1HA GLY 115 3.250 -2.527 -6.457 854 2HA GLY 115 2HA GLY 115 3.062 -0.968 -7.232 855 H VAL 116 H VAL 116 3.175 -3.882 -9.128 856 HA VAL 116 HA VAL 116 0.681 -3.422 -10.390 857 HB VAL 116 HB VAL 116 2.484 -4.349 -11.621 858 1HG1 VAL 116 1HG1 VAL 116 3.672 -5.612 -9.910 859 2HG1 VAL 116 2HG1 VAL 116 2.322 -6.798 -9.848 860 3HG1 VAL 116 3HG1 VAL 116 3.316 -6.643 -11.339 861 1HG2 VAL 116 1HG2 VAL 116 0.180 -6.286 -11.330 862 2HG2 VAL 116 2HG2 VAL 116 0.236 -4.826 -12.377 863 3HG2 VAL 116 3HG2 VAL 116 1.314 -6.222 -12.724 864 H ARG 117 H ARG 117 -1.220 -3.661 -9.381 865 HA ARG 117 HA ARG 117 -1.715 -6.236 -8.045 866 1HB ARG 117 1HB ARG 117 -2.557 -3.846 -6.550 867 2HB ARG 117 2HB ARG 117 -2.184 -5.460 -5.980 868 1HG ARG 117 1HG ARG 117 -0.092 -3.594 -6.966 869 2HG ARG 117 2HG ARG 117 -0.637 -3.606 -5.301 870 1HD ARG 117 1HD ARG 117 0.481 -5.477 -4.820 871 2HD ARG 117 2HD ARG 117 0.074 -6.229 -6.349 872 HE ARG 117 HE ARG 117 2.086 -4.095 -6.406 873 1HH1 ARG 117 1HH2 ARG 117 1.541 -7.558 -6.338 874 2HH1 ARG 117 2HH2 ARG 117 3.133 -7.893 -6.982 875 1HH2 ARG 117 1HH1 ARG 117 4.088 -4.648 -7.258 876 2HH2 ARG 117 2HH1 ARG 117 4.499 -6.334 -7.475 877 H CYS 118 H CYS 118 -3.375 -3.128 -8.010 878 HA CYS 118 HA CYS 118 -5.517 -4.308 -9.651 879 1HB CYS 118 1HB CYS 118 -5.683 -3.364 -7.007 880 2HB CYS 118 2HB CYS 118 -6.552 -2.238 -8.029 881 H MET 119 H MET 119 -3.096 -2.146 -9.620 882 HA MET 119 HA MET 119 -4.469 -0.085 -11.206 883 1HB MET 119 1HB MET 119 -1.942 -0.398 -9.735 884 2HB MET 119 2HB MET 119 -1.991 0.750 -11.057 885 1HG MET 119 1HG MET 119 -4.249 1.078 -9.294 886 2HG MET 119 2HG MET 119 -2.728 1.223 -8.435 887 1HE MET 119 1HE MET 119 -5.273 2.840 -10.684 888 2HE MET 119 2HE MET 119 -5.012 3.506 -9.034 889 3HE MET 119 3HE MET 119 -4.671 4.521 -10.479 890 H ARG 120 H ARG 120 -3.165 -3.034 -11.819 891 HA ARG 120 HA ARG 120 -2.900 -2.511 -14.637 892 1HB ARG 120 1HB ARG 120 -0.681 -1.895 -14.091 893 2HB ARG 120 2HB ARG 120 -0.488 -3.273 -13.026 894 1HG ARG 120 1HG ARG 120 0.129 -4.619 -14.728 895 2HG ARG 120 2HG ARG 120 -1.212 -4.089 -15.724 896 1HD ARG 120 1HD ARG 120 1.117 -2.303 -15.372 897 2HD ARG 120 2HD ARG 120 1.239 -3.668 -16.464 898 HE ARG 120 HE ARG 120 -1.125 -2.547 -17.210 899 1HH1 ARG 120 1HH2 ARG 120 2.029 -1.170 -16.775 900 2HH1 ARG 120 2HH2 ARG 120 1.771 0.059 -17.992 901 1HH2 ARG 120 1HH1 ARG 120 -1.425 -0.996 -18.754 902 2HH2 ARG 120 2HH1 ARG 120 -0.153 0.157 -19.094 903 H GLN 121 H GLN 121 -1.270 -5.116 -13.052 904 HA GLN 121 HA GLN 121 -3.196 -7.026 -14.183 905 1HB GLN 121 1HB GLN 121 -0.306 -6.864 -14.258 906 2HB GLN 121 2HB GLN 121 -0.854 -8.394 -13.602 907 1HG GLN 121 1HG GLN 121 -2.354 -7.551 -15.967 908 2HG GLN 121 2HG GLN 121 -0.649 -7.798 -16.283 909 1HE2 GLN 121 2HE2 GLN 121 0.050 -9.841 -16.623 910 2HE2 GLN 121 1HE2 GLN 121 -0.851 -11.286 -16.221 911 H THR 122 H THR 122 -4.313 -8.132 -12.923 912 HA THR 122 HA THR 122 -3.819 -7.976 -10.035 913 HB THR 122 HB THR 122 -6.115 -8.442 -9.749 914 HG1 THR 122 1HG THR 122 -7.390 -9.145 -11.521 915 1HG2 THR 122 1HG2 THR 122 -5.795 -6.152 -10.711 916 2HG2 THR 122 2HG2 THR 122 -5.967 -6.856 -12.357 917 3HG2 THR 122 3HG2 THR 122 -7.356 -6.885 -11.217 918 H ARG 123 H ARG 123 -3.609 -9.735 -8.726 919 HA ARG 123 HA ARG 123 -3.892 -12.426 -9.550 920 1HB ARG 123 1HB ARG 123 -1.657 -11.411 -10.735 921 2HB ARG 123 2HB ARG 123 -0.995 -11.956 -9.207 922 1HG ARG 123 1HG ARG 123 -0.865 -13.981 -10.225 923 2HG ARG 123 2HG ARG 123 -2.584 -14.073 -9.898 924 1HD ARG 123 1HD ARG 123 -3.103 -13.217 -12.098 925 2HD ARG 123 2HD ARG 123 -1.406 -12.923 -12.425 926 HE ARG 123 HE ARG 123 -2.820 -15.452 -12.600 927 1HH1 ARG 123 1HH2 ARG 123 0.339 -14.020 -12.238 928 2HH1 ARG 123 2HH2 ARG 123 1.161 -15.469 -12.771 929 1HH2 ARG 123 1HH1 ARG 123 -1.720 -17.284 -13.244 930 2HH2 ARG 123 2HH1 ARG 123 0.028 -17.266 -13.324 931 H THR 124 H THR 124 -2.600 -13.863 -8.031 932 HA THR 124 HA THR 124 -2.238 -12.702 -5.364 933 HB THR 124 HB THR 124 -3.966 -13.916 -4.315 934 HG1 THR 124 1HG THR 124 -5.285 -15.413 -5.385 935 1HG2 THR 124 1HG2 THR 124 -4.984 -12.073 -5.653 936 2HG2 THR 124 2HG2 THR 124 -5.168 -13.215 -7.029 937 3HG2 THR 124 3HG2 THR 124 -6.084 -13.487 -5.506 938 H ASN 125 H ASN 125 -0.196 -13.342 -5.201 939 HA ASN 125 HA ASN 125 1.044 -15.550 -6.177 940 1HB ASN 125 1HB ASN 125 1.713 -13.570 -4.276 941 2HB ASN 125 2HB ASN 125 2.355 -15.123 -3.779 942 1HD2 ASN 125 2HD2 ASN 125 3.903 -16.130 -4.967 943 2HD2 ASN 125 1HD2 ASN 125 4.819 -15.285 -6.195 Start of MODEL 8 1 1H ALA 1 1H ALA 1 -6.276 5.107 -19.156 2 2H ALA 1 2H ALA 1 -6.012 6.245 -17.983 3 3H ALA 1 3H ALA 1 -4.762 5.743 -18.946 4 HA ALA 1 HA ALA 1 -4.949 3.541 -18.070 5 1HB ALA 1 1HB ALA 1 -3.232 5.005 -17.153 6 2HB ALA 1 2HB ALA 1 -4.421 5.698 -15.998 7 3HB ALA 1 3HB ALA 1 -3.925 3.976 -15.853 8 H GLU 2 H GLU 2 -7.478 3.511 -18.544 9 HA GLU 2 HA GLU 2 -8.723 2.565 -16.106 10 1HB GLU 2 1HB GLU 2 -9.021 5.049 -15.948 11 2HB GLU 2 2HB GLU 2 -9.951 4.972 -17.430 12 1HG GLU 2 1HG GLU 2 -10.896 2.992 -15.575 13 2HG GLU 2 2HG GLU 2 -10.874 4.564 -14.803 14 H PHE 3 H PHE 3 -9.566 0.763 -16.797 15 HA PHE 3 HA PHE 3 -10.314 0.261 -19.539 16 1HB PHE 3 1HB PHE 3 -9.606 -1.248 -17.344 17 2HB PHE 3 2HB PHE 3 -11.320 -1.570 -17.502 18 HD1 PHE 3 1HD PHE 3 -12.124 -2.086 -20.011 19 HD2 PHE 3 2HD PHE 3 -8.114 -2.587 -18.493 20 HE1 PHE 3 1HE PHE 3 -11.621 -3.666 -21.866 21 HE2 PHE 3 2HE PHE 3 -7.636 -4.234 -20.300 22 HZ PHE 3 HZ PHE 3 -9.390 -4.766 -21.986 23 H MET 4 H MET 4 -12.366 0.174 -20.436 24 HA MET 4 HA MET 4 -14.561 1.523 -19.170 25 1HB MET 4 1HB MET 4 -15.750 0.930 -21.227 26 2HB MET 4 2HB MET 4 -14.196 1.681 -21.523 27 1HG MET 4 1HG MET 4 -13.953 -1.192 -21.378 28 2HG MET 4 2HG MET 4 -15.129 -0.720 -22.587 29 1HE MET 4 1HE MET 4 -13.441 -2.150 -24.183 30 2HE MET 4 2HE MET 4 -14.426 -0.823 -24.892 31 3HE MET 4 3HE MET 4 -12.701 -1.012 -25.363 32 H GLU 5 H GLU 5 -14.244 -0.293 -17.307 33 HA GLU 5 HA GLU 5 -16.558 -2.104 -17.547 34 1HB GLU 5 1HB GLU 5 -13.725 -2.897 -17.153 35 2HB GLU 5 2HB GLU 5 -14.934 -3.719 -16.187 36 1HG GLU 5 1HG GLU 5 -15.130 -3.499 -19.185 37 2HG GLU 5 2HG GLU 5 -14.331 -4.838 -18.383 38 H SER 6 H SER 6 -17.463 -2.634 -15.583 39 HA SER 6 HA SER 6 -16.708 -2.127 -12.988 40 1HB SER 6 1HB SER 6 -17.155 0.404 -14.253 41 2HB SER 6 2HB SER 6 -18.446 0.107 -13.106 42 HG SER 6 HG SER 6 -16.606 1.077 -12.126 43 H LYS 7 H LYS 7 -18.084 -3.553 -12.157 44 HA LYS 7 HA LYS 7 -20.873 -3.041 -11.932 45 1HB LYS 7 1HB LYS 7 -20.101 -4.531 -14.268 46 2HB LYS 7 2HB LYS 7 -21.031 -5.555 -13.192 47 1HG LYS 7 1HG LYS 7 -22.809 -3.866 -13.103 48 2HG LYS 7 2HG LYS 7 -21.876 -2.817 -14.151 49 1HD LYS 7 1HD LYS 7 -22.159 -5.430 -15.328 50 2HD LYS 7 2HD LYS 7 -23.729 -4.764 -14.929 51 1HE LYS 7 1HE LYS 7 -23.627 -3.280 -16.608 52 2HE LYS 7 2HE LYS 7 -22.003 -2.790 -16.173 53 1HZ LYS 7 1HZ LYS 7 -21.166 -4.688 -17.360 54 2HZ LYS 7 2HZ LYS 7 -22.702 -5.150 -17.771 55 3HZ LYS 7 3HZ LYS 7 -22.077 -3.735 -18.362 56 H GLY 8 H GLY 8 -21.072 -3.580 -9.888 57 1HA GLY 8 1HA GLY 8 -20.395 -6.288 -8.972 58 2HA GLY 8 2HA GLY 8 -19.582 -4.965 -8.160 59 H GLU 9 H GLU 9 -20.591 -4.038 -6.488 60 HA GLU 9 HA GLU 9 -23.465 -3.705 -6.380 61 1HB GLU 9 1HB GLU 9 -23.134 -6.116 -5.749 62 2HB GLU 9 2HB GLU 9 -22.252 -5.557 -4.342 63 1HG GLU 9 1HG GLU 9 -24.137 -4.646 -3.354 64 2HG GLU 9 2HG GLU 9 -24.974 -4.464 -4.883 65 H ARG 10 H ARG 10 -20.665 -4.002 -4.223 66 HA ARG 10 HA ARG 10 -20.627 -1.183 -3.561 67 1HB ARG 10 1HB ARG 10 -22.382 -2.615 -2.089 68 2HB ARG 10 2HB ARG 10 -20.917 -2.901 -1.171 69 1HG ARG 10 1HG ARG 10 -21.292 -0.915 -0.190 70 2HG ARG 10 2HG ARG 10 -20.832 -0.185 -1.715 71 1HD ARG 10 1HD ARG 10 -23.020 0.212 -2.340 72 2HD ARG 10 2HD ARG 10 -23.642 -1.122 -1.391 73 HE ARG 10 HE ARG 10 -23.182 1.610 -0.498 74 1HH1 ARG 10 1HH2 ARG 10 -23.625 -1.712 0.573 75 2HH1 ARG 10 2HH2 ARG 10 -24.089 -1.213 2.184 76 1HH2 ARG 10 1HH1 ARG 10 -23.767 2.144 1.585 77 2HH2 ARG 10 2HH1 ARG 10 -24.166 0.886 2.734 78 H GLU 11 H GLU 11 -18.992 -0.872 -1.710 79 HA GLU 11 HA GLU 11 -16.838 -2.861 -1.707 80 1HB GLU 11 1HB GLU 11 -16.780 -0.589 -3.350 81 2HB GLU 11 2HB GLU 11 -15.704 -0.246 -2.011 82 1HG GLU 11 1HG GLU 11 -14.460 -1.326 -3.780 83 2HG GLU 11 2HG GLU 11 -14.573 -2.405 -2.405 84 H GLY 12 H GLY 12 -16.569 -3.317 0.339 85 1HA GLY 12 1HA GLY 12 -15.565 -1.688 2.308 86 2HA GLY 12 2HA GLY 12 -17.299 -1.491 2.463 87 H SER 13 H SER 13 -15.478 -4.377 1.565 88 HA SER 13 HA SER 13 -16.072 -5.673 4.132 89 1HB SER 13 1HB SER 13 -17.953 -6.114 2.431 90 2HB SER 13 2HB SER 13 -16.773 -7.101 1.592 91 HG SER 13 HG SER 13 -17.961 -8.303 3.165 92 H SER 14 H SER 14 -13.740 -5.210 4.283 93 HA SER 14 HA SER 14 -11.876 -6.461 2.617 94 1HB SER 14 1HB SER 14 -10.397 -6.455 4.595 95 2HB SER 14 2HB SER 14 -11.142 -4.916 4.212 96 HG SER 14 HG SER 14 -11.131 -5.353 6.445 97 H SER 15 H SER 15 -10.570 -8.377 2.939 98 HA SER 15 HA SER 15 -11.971 -10.808 3.228 99 1HB SER 15 1HB SER 15 -9.490 -10.243 2.364 100 2HB SER 15 2HB SER 15 -9.104 -10.834 3.967 101 HG SER 15 HG SER 15 -9.274 -12.547 2.421 102 H GLN 16 H GLN 16 -10.904 -12.535 4.914 103 HA GLN 16 HA GLN 16 -12.186 -12.400 7.265 104 1HB GLN 16 1HB GLN 16 -10.659 -14.234 6.365 105 2HB GLN 16 2HB GLN 16 -9.375 -13.430 7.245 106 1HG GLN 16 1HG GLN 16 -11.579 -13.589 9.002 107 2HG GLN 16 2HG GLN 16 -11.433 -15.164 8.249 108 1HE2 GLN 16 2HE2 GLN 16 -10.551 -16.422 9.843 109 2HE2 GLN 16 1HE2 GLN 16 -9.044 -16.050 10.649 110 H GLN 17 H GLN 17 -8.854 -11.252 6.973 111 HA GLN 17 HA GLN 17 -9.364 -8.845 8.415 112 1HB GLN 17 1HB GLN 17 -9.122 -10.864 10.121 113 2HB GLN 17 2HB GLN 17 -7.417 -10.536 9.879 114 1HG GLN 17 1HG GLN 17 -8.412 -8.021 10.172 115 2HG GLN 17 2HG GLN 17 -9.465 -8.932 11.237 116 1HE2 GLN 17 2HE2 GLN 17 -8.510 -7.624 12.957 117 2HE2 GLN 17 1HE2 GLN 17 -6.935 -8.052 13.585 118 H CYS 18 H CYS 18 -8.333 -9.556 5.823 119 HA CYS 18 HA CYS 18 -5.493 -9.510 5.785 120 1HB CYS 18 1HB CYS 18 -7.584 -9.212 3.825 121 2HB CYS 18 2HB CYS 18 -6.210 -8.175 3.498 122 H ARG 19 H ARG 19 -7.788 -6.787 5.272 123 HA ARG 19 HA ARG 19 -6.293 -4.600 5.021 124 1HB ARG 19 1HB ARG 19 -8.863 -4.931 5.689 125 2HB ARG 19 2HB ARG 19 -8.249 -4.229 7.172 126 1HG ARG 19 1HG ARG 19 -7.542 -2.258 6.078 127 2HG ARG 19 2HG ARG 19 -7.626 -3.004 4.495 128 1HD ARG 19 1HD ARG 19 -10.199 -3.246 5.646 129 2HD ARG 19 2HD ARG 19 -9.680 -1.596 5.933 130 HE ARG 19 HE ARG 19 -10.311 -1.172 3.806 131 1HH1 ARG 19 1HH2 ARG 19 -9.154 -4.451 3.725 132 2HH1 ARG 19 2HH2 ARG 19 -9.337 -4.568 1.989 133 1HH2 ARG 19 1HH1 ARG 19 -10.468 -1.382 1.558 134 2HH2 ARG 19 2HH1 ARG 19 -10.046 -2.912 0.822 135 H GLN 20 H GLN 20 -6.758 -6.125 8.151 136 HA GLN 20 HA GLN 20 -5.235 -4.492 9.764 137 1HB GLN 20 1HB GLN 20 -6.564 -6.814 10.055 138 2HB GLN 20 2HB GLN 20 -4.910 -7.375 10.188 139 1HG GLN 20 1HG GLN 20 -5.066 -4.994 11.677 140 2HG GLN 20 2HG GLN 20 -6.485 -5.933 12.100 141 1HE2 GLN 20 2HE2 GLN 20 -3.084 -6.980 11.381 142 2HE2 GLN 20 1HE2 GLN 20 -2.869 -7.746 12.939 143 H GLU 21 H GLU 21 -3.819 -7.527 8.433 144 HA GLU 21 HA GLU 21 -1.125 -6.599 8.880 145 1HB GLU 21 1HB GLU 21 -2.077 -8.951 7.276 146 2HB GLU 21 2HB GLU 21 -0.462 -8.698 7.908 147 1HG GLU 21 1HG GLU 21 -2.923 -9.068 9.596 148 2HG GLU 21 2HG GLU 21 -1.764 -10.328 9.223 149 H VAL 22 H VAL 22 -3.264 -6.693 6.194 150 HA VAL 22 HA VAL 22 -1.654 -6.050 4.044 151 HB VAL 22 HB VAL 22 -4.457 -5.579 4.734 152 1HG1 VAL 22 1HG1 VAL 22 -4.027 -3.392 3.689 153 2HG1 VAL 22 2HG1 VAL 22 -3.315 -4.244 2.275 154 3HG1 VAL 22 3HG1 VAL 22 -5.055 -4.459 2.672 155 1HG2 VAL 22 1HG2 VAL 22 -2.971 -6.743 2.370 156 2HG2 VAL 22 2HG2 VAL 22 -3.709 -7.649 3.736 157 3HG2 VAL 22 3HG2 VAL 22 -4.757 -6.758 2.578 158 H GLN 23 H GLN 23 -3.200 -3.670 6.274 159 HA GLN 23 HA GLN 23 -1.957 -1.441 5.097 160 1HB GLN 23 1HB GLN 23 -3.064 -0.194 6.674 161 2HB GLN 23 2HB GLN 23 -4.083 -1.561 6.270 162 1HG GLN 23 1HG GLN 23 -4.434 -1.811 8.405 163 2HG GLN 23 2HG GLN 23 -2.776 -2.361 8.543 164 1HE2 GLN 23 2HE2 GLN 23 -2.914 -1.707 10.748 165 2HE2 GLN 23 1HE2 GLN 23 -2.708 -0.023 11.175 166 H ARG 24 H ARG 24 0.182 -3.016 5.671 167 HA ARG 24 HA ARG 24 1.834 -1.723 7.694 168 1HB ARG 24 1HB ARG 24 1.420 -4.699 7.767 169 2HB ARG 24 2HB ARG 24 2.330 -3.713 8.895 170 1HG ARG 24 1HG ARG 24 0.187 -2.610 9.539 171 2HG ARG 24 2HG ARG 24 -0.652 -3.781 8.541 172 1HD ARG 24 1HD ARG 24 0.285 -5.592 9.919 173 2HD ARG 24 2HD ARG 24 1.056 -4.394 10.939 174 HE ARG 24 HE ARG 24 -1.818 -4.055 10.536 175 1HH1 ARG 24 1HH2 ARG 24 0.644 -5.370 12.618 176 2HH1 ARG 24 2HH2 ARG 24 -0.429 -5.438 13.997 177 1HH2 ARG 24 1HH1 ARG 24 -3.144 -4.165 12.338 178 2HH2 ARG 24 2HH1 ARG 24 -2.502 -4.779 13.844 179 H LYS 25 H LYS 25 1.490 -4.437 5.510 180 HA LYS 25 HA LYS 25 4.178 -4.024 4.355 181 1HB LYS 25 1HB LYS 25 3.755 -6.556 3.742 182 2HB LYS 25 2HB LYS 25 4.492 -6.067 5.255 183 1HG LYS 25 1HG LYS 25 2.494 -6.439 6.453 184 2HG LYS 25 2HG LYS 25 1.560 -6.603 4.980 185 1HD LYS 25 1HD LYS 25 2.374 -8.715 4.543 186 2HD LYS 25 2HD LYS 25 3.809 -8.473 5.519 187 1HE LYS 25 1HE LYS 25 2.769 -9.073 7.433 188 2HE LYS 25 2HE LYS 25 1.245 -8.353 6.953 189 1HZ LYS 25 1HZ LYS 25 0.908 -10.182 5.453 190 2HZ LYS 25 2HZ LYS 25 2.348 -10.863 5.906 191 3HZ LYS 25 3HZ LYS 25 1.111 -10.738 6.999 192 H ASP 26 H ASP 26 0.798 -4.423 3.608 193 HA ASP 26 HA ASP 26 0.933 -4.818 0.883 194 1HB ASP 26 1HB ASP 26 -1.212 -4.076 0.755 195 2HB ASP 26 2HB ASP 26 -1.060 -4.625 2.412 196 H LEU 27 H LEU 27 -0.371 -2.569 -0.169 197 HA LEU 27 HA LEU 27 1.818 -0.955 -1.056 198 1HB LEU 27 1HB LEU 27 -1.135 -0.770 -1.498 199 2HB LEU 27 2HB LEU 27 0.071 0.176 -2.347 200 HG LEU 27 HG LEU 27 -0.739 -1.649 -3.659 201 1HD1 LEU 27 1HD1 LEU 27 1.386 -0.778 -4.134 202 2HD1 LEU 27 2HD1 LEU 27 2.144 -1.852 -2.907 203 3HD1 LEU 27 3HD1 LEU 27 1.405 -2.559 -4.386 204 1HD2 LEU 27 1HD2 LEU 27 0.381 -3.585 -1.647 205 2HD2 LEU 27 2HD2 LEU 27 -1.345 -3.359 -2.100 206 3HD2 LEU 27 3HD2 LEU 27 -0.175 -3.997 -3.307 207 H SER 28 H SER 28 2.040 -0.681 1.491 208 HA SER 28 HA SER 28 0.890 1.867 2.415 209 1HB SER 28 1HB SER 28 0.974 -0.243 3.847 210 2HB SER 28 2HB SER 28 2.696 0.062 3.974 211 HG SER 28 HG SER 28 1.492 1.123 5.643 212 H SER 29 H SER 29 3.021 1.364 0.325 213 HA SER 29 HA SER 29 4.841 3.488 1.150 214 1HB SER 29 1HB SER 29 5.718 0.957 1.508 215 2HB SER 29 2HB SER 29 6.267 1.288 -0.122 216 HG SER 29 HG SER 29 7.752 2.038 1.472 217 H CYS 30 H CYS 30 3.873 1.229 -1.468 218 HA CYS 30 HA CYS 30 4.978 2.655 -3.613 219 1HB CYS 30 1HB CYS 30 2.330 1.269 -3.680 220 2HB CYS 30 2HB CYS 30 3.495 1.440 -4.977 221 H GLU 31 H GLU 31 1.576 2.828 -2.521 222 HA GLU 31 HA GLU 31 1.168 5.279 -3.999 223 1HB GLU 31 1HB GLU 31 -0.349 3.406 -2.446 224 2HB GLU 31 2HB GLU 31 -0.770 5.051 -2.015 225 1HG GLU 31 1HG GLU 31 -2.195 4.335 -3.784 226 2HG GLU 31 2HG GLU 31 -1.083 5.535 -4.413 227 H ARG 32 H ARG 32 2.037 4.487 -0.647 228 HA ARG 32 HA ARG 32 1.623 7.080 0.426 229 1HB ARG 32 1HB ARG 32 2.244 4.836 1.538 230 2HB ARG 32 2HB ARG 32 3.897 5.345 1.252 231 1HG ARG 32 1HG ARG 32 3.433 6.141 3.409 232 2HG ARG 32 2HG ARG 32 3.202 7.546 2.390 233 1HD ARG 32 1HD ARG 32 1.327 7.503 3.831 234 2HD ARG 32 2HD ARG 32 0.749 6.899 2.292 235 HE ARG 32 HE ARG 32 1.517 4.636 3.656 236 1HH1 ARG 32 1HH2 ARG 32 -0.756 7.191 4.324 237 2HH1 ARG 32 2HH2 ARG 32 -1.781 6.159 5.294 238 1HH2 ARG 32 1HH1 ARG 32 0.205 3.348 4.898 239 2HH2 ARG 32 2HH1 ARG 32 -1.246 4.016 5.614 240 H TYR 33 H TYR 33 4.267 5.818 -1.466 241 HA TYR 33 HA TYR 33 6.291 7.704 -1.115 242 1HB TYR 33 1HB TYR 33 6.560 5.567 -2.267 243 2HB TYR 33 2HB TYR 33 5.504 6.119 -3.552 244 HD1 TYR 33 1HD TYR 33 6.509 6.779 -5.519 245 HD2 TYR 33 2HD TYR 33 8.557 7.257 -1.749 246 HE1 TYR 33 1HE TYR 33 8.499 7.658 -6.725 247 HE2 TYR 33 2HE TYR 33 10.411 8.429 -2.914 248 HH TYR 33 HH TYR 33 11.368 8.789 -4.939 249 H LEU 34 H LEU 34 3.682 7.576 -3.538 250 HA LEU 34 HA LEU 34 4.232 10.159 -4.634 251 1HB LEU 34 1HB LEU 34 2.612 9.662 -6.090 252 2HB LEU 34 2HB LEU 34 2.842 8.051 -5.442 253 HG LEU 34 HG LEU 34 0.961 8.759 -3.793 254 1HD1 LEU 34 1HD1 LEU 34 0.691 11.084 -4.394 255 2HD1 LEU 34 2HD1 LEU 34 0.293 10.615 -6.083 256 3HD1 LEU 34 3HD1 LEU 34 -0.816 10.167 -4.741 257 1HD2 LEU 34 1HD2 LEU 34 0.470 7.930 -6.639 258 2HD2 LEU 34 2HD2 LEU 34 0.863 6.873 -5.238 259 3HD2 LEU 34 3HD2 LEU 34 -0.705 7.751 -5.290 260 H ARG 35 H ARG 35 2.372 9.067 -1.907 261 HA ARG 35 HA ARG 35 0.818 11.436 -1.490 262 1HB ARG 35 1HB ARG 35 0.587 9.024 -0.472 263 2HB ARG 35 2HB ARG 35 1.579 9.713 0.797 264 1HG ARG 35 1HG ARG 35 -0.622 11.454 0.026 265 2HG ARG 35 2HG ARG 35 -1.169 9.897 0.613 266 1HD ARG 35 1HD ARG 35 0.509 10.354 2.559 267 2HD ARG 35 2HD ARG 35 0.353 12.023 2.050 268 HE ARG 35 HE ARG 35 -2.235 10.912 2.313 269 1HH1 ARG 35 1HH2 ARG 35 0.396 11.928 4.399 270 2HH1 ARG 35 2HH2 ARG 35 -0.681 12.257 5.737 271 1HH2 ARG 35 1HH1 ARG 35 -3.542 11.348 4.057 272 2HH2 ARG 35 2HH1 ARG 35 -2.843 11.938 5.548 273 H GLN 36 H GLN 36 3.916 10.317 -0.268 274 HA GLN 36 HA GLN 36 4.392 12.712 1.259 275 1HB GLN 36 1HB GLN 36 5.428 10.108 1.279 276 2HB GLN 36 2HB GLN 36 6.771 11.162 0.881 277 1HG GLN 36 1HG GLN 36 4.996 11.266 3.309 278 2HG GLN 36 2HG GLN 36 6.724 10.980 3.255 279 1HE2 GLN 36 2HE2 GLN 36 4.378 13.298 3.940 280 2HE2 GLN 36 1HE2 GLN 36 5.373 14.728 3.780 281 H SER 37 H SER 37 7.030 13.230 0.739 282 HA SER 37 HA SER 37 7.337 13.985 -2.082 283 1HB SER 37 1HB SER 37 6.159 15.786 -0.646 284 2HB SER 37 2HB SER 37 7.745 16.030 0.058 285 HG SER 37 HG SER 37 7.359 17.406 -1.734 286 H SER 38 H SER 38 8.714 14.023 1.217 287 HA SER 38 HA SER 38 11.197 12.847 0.328 288 1HB SER 38 1HB SER 38 11.142 15.557 -0.008 289 2HB SER 38 2HB SER 38 11.810 15.409 1.605 290 HG SER 38 HG SER 38 13.428 15.306 -0.026 291 H SER 39 H SER 39 11.244 11.353 1.882 292 HA SER 39 HA SER 39 11.617 12.208 4.651 293 1HB SER 39 1HB SER 39 9.207 11.900 4.510 294 2HB SER 39 2HB SER 39 9.439 10.297 3.843 295 HG SER 39 HG SER 39 8.922 10.254 6.068 296 H ARG 40 H ARG 40 12.112 10.200 5.983 297 HA ARG 40 HA ARG 40 13.083 7.849 4.587 298 1HB ARG 40 1HB ARG 40 14.832 9.946 4.705 299 2HB ARG 40 2HB ARG 40 15.211 9.102 6.194 300 1HG ARG 40 1HG ARG 40 14.876 7.256 3.992 301 2HG ARG 40 2HG ARG 40 16.109 8.449 3.637 302 1HD ARG 40 1HD ARG 40 16.396 7.452 6.330 303 2HD ARG 40 2HD ARG 40 16.419 6.139 5.170 304 HE ARG 40 HE ARG 40 18.392 6.944 4.265 305 1HH1 ARG 40 1HH2 ARG 40 17.162 9.375 6.483 306 2HH1 ARG 40 2HH2 ARG 40 18.651 10.291 6.416 307 1HH2 ARG 40 1HH1 ARG 40 20.229 8.151 4.245 308 2HH2 ARG 40 2HH1 ARG 40 20.330 9.620 5.190 309 H ARG 41 H ARG 41 12.607 6.185 5.903 310 HA ARG 41 HA ARG 41 11.493 6.215 8.411 311 1HB ARG 41 1HB ARG 41 12.371 4.243 6.742 312 2HB ARG 41 2HB ARG 41 13.473 4.069 8.093 313 1HG ARG 41 1HG ARG 41 11.643 3.836 9.636 314 2HG ARG 41 2HG ARG 41 10.480 4.220 8.383 315 1HD ARG 41 1HD ARG 41 11.054 2.185 7.182 316 2HD ARG 41 2HD ARG 41 12.301 1.817 8.357 317 HE ARG 41 HE ARG 41 10.711 1.022 9.811 318 1HH1 ARG 41 1HH2 ARG 41 9.002 2.781 7.306 319 2HH1 ARG 41 2HH2 ARG 41 7.443 2.266 7.908 320 1HH2 ARG 41 1HH1 ARG 41 8.692 0.437 10.512 321 2HH2 ARG 41 2HH1 ARG 41 7.275 0.992 9.650 322 H SER 42 H SER 42 12.067 6.640 10.424 323 HA SER 42 HA SER 42 14.666 7.653 11.089 324 1HB SER 42 1HB SER 42 12.196 7.953 12.152 325 2HB SER 42 2HB SER 42 12.872 6.777 13.262 326 HG SER 42 HG SER 42 13.332 8.939 13.887 327 H THR 43 H THR 43 15.163 6.602 13.517 328 HA THR 43 HA THR 43 16.840 4.432 13.136 329 HB THR 43 HB THR 43 17.042 4.401 15.544 330 HG1 THR 43 1HG THR 43 15.617 5.707 16.780 331 1HG2 THR 43 1HG2 THR 43 18.147 6.269 14.358 332 2HG2 THR 43 2HG2 THR 43 16.642 7.239 14.516 333 3HG2 THR 43 3HG2 THR 43 17.571 6.777 15.984 334 H GLY 44 H GLY 44 15.971 2.619 12.163 335 1HA GLY 44 1HA GLY 44 14.726 0.632 13.710 336 2HA GLY 44 2HA GLY 44 13.459 1.459 12.826 337 H GLU 45 H GLU 45 12.951 0.613 10.938 338 HA GLU 45 HA GLU 45 14.749 -1.248 9.610 339 1HB GLU 45 1HB GLU 45 12.042 -1.096 9.810 340 2HB GLU 45 2HB GLU 45 12.308 -0.464 8.198 341 1HG GLU 45 1HG GLU 45 13.515 -2.448 7.548 342 2HG GLU 45 2HG GLU 45 13.503 -3.051 9.194 343 H GLU 46 H GLU 46 15.613 1.607 9.754 344 HA GLU 46 HA GLU 46 15.350 3.174 7.588 345 1HB GLU 46 1HB GLU 46 16.902 3.340 9.642 346 2HB GLU 46 2HB GLU 46 18.111 2.680 8.558 347 1HG GLU 46 1HG GLU 46 18.106 4.531 7.199 348 2HG GLU 46 2HG GLU 46 16.453 4.951 7.601 349 H VAL 47 H VAL 47 14.926 2.461 5.630 350 HA VAL 47 HA VAL 47 16.465 0.286 4.435 351 HB VAL 47 HB VAL 47 14.248 1.772 3.080 352 1HG1 VAL 47 1HG1 VAL 47 15.591 0.297 1.639 353 2HG1 VAL 47 2HG1 VAL 47 15.302 -1.063 2.779 354 3HG1 VAL 47 3HG1 VAL 47 13.929 -0.355 1.860 355 1HG2 VAL 47 1HG2 VAL 47 13.953 -0.682 4.843 356 2HG2 VAL 47 2HG2 VAL 47 13.324 0.960 5.218 357 3HG2 VAL 47 3HG2 VAL 47 12.666 0.043 3.819 358 H LEU 48 H LEU 48 18.102 2.208 4.956 359 HA LEU 48 HA LEU 48 18.681 3.650 2.461 360 1HB LEU 48 1HB LEU 48 19.438 5.379 3.642 361 2HB LEU 48 2HB LEU 48 18.379 4.701 4.863 362 HG LEU 48 HG LEU 48 20.423 3.568 5.827 363 1HD1 LEU 48 1HD1 LEU 48 21.959 3.793 3.895 364 2HD1 LEU 48 2HD1 LEU 48 21.882 5.581 4.071 365 3HD1 LEU 48 3HD1 LEU 48 22.623 4.581 5.368 366 1HD2 LEU 48 1HD2 LEU 48 20.432 6.600 5.755 367 2HD2 LEU 48 2HD2 LEU 48 19.455 5.576 6.864 368 3HD2 LEU 48 3HD2 LEU 48 21.248 5.572 6.983 369 H ARG 49 H ARG 49 19.652 1.088 4.481 370 HA ARG 49 HA ARG 49 22.137 0.687 2.944 371 1HB ARG 49 1HB ARG 49 21.988 1.272 5.634 372 2HB ARG 49 2HB ARG 49 22.246 -0.461 5.592 373 1HG ARG 49 1HG ARG 49 23.949 0.862 3.681 374 2HG ARG 49 2HG ARG 49 24.175 1.544 5.279 375 1HD ARG 49 1HD ARG 49 24.302 -0.982 5.997 376 2HD ARG 49 2HD ARG 49 24.723 -1.221 4.313 377 HE ARG 49 HE ARG 49 26.361 -0.060 6.377 378 1HH1 ARG 49 1HH2 ARG 49 25.909 -0.071 2.901 379 2HH1 ARG 49 2HH2 ARG 49 27.526 0.533 2.616 380 1HH2 ARG 49 1HH1 ARG 49 28.382 0.749 5.917 381 2HH2 ARG 49 2HH1 ARG 49 28.867 0.978 4.253 382 H MET 50 H MET 50 19.445 -0.343 2.472 383 HA MET 50 HA MET 50 19.861 -3.253 2.856 384 1HB MET 50 1HB MET 50 17.384 -1.590 2.623 385 2HB MET 50 2HB MET 50 17.363 -3.331 2.423 386 1HG MET 50 1HG MET 50 18.816 -2.518 4.803 387 2HG MET 50 2HG MET 50 17.153 -1.966 4.822 388 1HE MET 50 1HE MET 50 19.531 -4.784 5.627 389 2HE MET 50 2HE MET 50 18.502 -4.091 6.926 390 3HE MET 50 3HE MET 50 18.325 -5.820 6.465 391 HA PRO 51 HA PRO 51 20.461 -2.621 -1.619 392 1HB PRO 51 1HB PRO 51 22.287 -4.659 -1.916 393 2HB PRO 51 2HB PRO 51 22.717 -2.986 -1.618 394 1HG PRO 51 1HG PRO 51 22.849 -5.279 0.214 395 2HG PRO 51 2HG PRO 51 23.647 -3.725 0.338 396 1HD PRO 51 1HD PRO 51 21.323 -4.577 1.721 397 2HD PRO 51 2HD PRO 51 22.056 -2.986 1.757 398 H GLY 52 H GLY 52 19.114 -3.593 -2.999 399 1HA GLY 52 1HA GLY 52 18.379 -6.445 -2.602 400 2HA GLY 52 2HA GLY 52 17.152 -5.229 -2.897 401 H ASP 53 H ASP 53 19.950 -6.917 -4.303 402 HA ASP 53 HA ASP 53 20.089 -5.864 -6.868 403 1HB ASP 53 1HB ASP 53 20.443 -8.585 -5.735 404 2HB ASP 53 2HB ASP 53 20.421 -8.414 -7.479 405 H GLU 54 H GLU 54 17.619 -7.959 -5.580 406 HA GLU 54 HA GLU 54 16.132 -8.358 -8.025 407 1HB GLU 54 1HB GLU 54 16.096 -9.319 -5.268 408 2HB GLU 54 2HB GLU 54 14.498 -9.124 -5.962 409 1HG GLU 54 1HG GLU 54 16.604 -10.354 -7.653 410 2HG GLU 54 2HG GLU 54 15.942 -11.326 -6.354 411 H ASN 55 H ASN 55 16.556 -5.595 -7.388 412 HA ASN 55 HA ASN 55 13.966 -4.521 -7.913 413 1HB ASN 55 1HB ASN 55 15.066 -4.414 -5.151 414 2HB ASN 55 2HB ASN 55 14.315 -2.960 -5.777 415 1HD2 ASN 55 2HD2 ASN 55 13.409 -4.747 -3.579 416 2HD2 ASN 55 1HD2 ASN 55 11.798 -5.224 -4.067 417 H GLN 56 H GLN 56 14.080 -2.251 -8.381 418 HA GLN 56 HA GLN 56 16.301 -1.342 -9.720 419 1HB GLN 56 1HB GLN 56 13.790 -0.369 -9.171 420 2HB GLN 56 2HB GLN 56 14.860 0.850 -8.509 421 1HG GLN 56 1HG GLN 56 14.850 -0.197 -11.332 422 2HG GLN 56 2HG GLN 56 14.361 1.401 -10.805 423 1HE2 GLN 56 2HE2 GLN 56 17.056 -0.605 -11.719 424 2HE2 GLN 56 1HE2 GLN 56 18.308 0.592 -11.465 425 H GLN 57 H GLN 57 18.296 -1.481 -8.871 426 HA GLN 57 HA GLN 57 18.893 -0.024 -6.371 427 1HB GLN 57 1HB GLN 57 18.979 -2.482 -6.065 428 2HB GLN 57 2HB GLN 57 20.224 -2.560 -7.295 429 1HG GLN 57 1HG GLN 57 20.694 -0.607 -5.139 430 2HG GLN 57 2HG GLN 57 20.723 -2.287 -4.641 431 1HE2 GLN 57 2HE2 GLN 57 22.806 0.110 -5.301 432 2HE2 GLN 57 1HE2 GLN 57 24.092 -0.800 -6.062 433 H GLN 58 H GLN 58 18.893 1.610 -8.227 434 HA GLN 58 HA GLN 58 21.727 2.041 -8.721 435 1HB GLN 58 1HB GLN 58 20.745 0.656 -10.651 436 2HB GLN 58 2HB GLN 58 19.981 2.155 -11.140 437 1HG GLN 58 1HG GLN 58 22.703 2.700 -10.510 438 2HG GLN 58 2HG GLN 58 22.657 1.319 -11.587 439 1HE2 GLN 58 2HE2 GLN 58 23.639 2.520 -13.291 440 2HE2 GLN 58 1HE2 GLN 58 22.718 3.708 -14.184 441 H GLU 59 H GLU 59 18.647 3.306 -9.907 442 HA GLU 59 HA GLU 59 19.093 5.890 -8.597 443 1HB GLU 59 1HB GLU 59 18.968 5.475 -11.540 444 2HB GLU 59 2HB GLU 59 18.425 6.981 -10.828 445 1HG GLU 59 1HG GLU 59 20.873 6.556 -9.611 446 2HG GLU 59 2HG GLU 59 21.142 6.010 -11.253 447 H SER 60 H SER 60 17.382 3.912 -7.826 448 HA SER 60 HA SER 60 14.896 5.290 -7.717 449 1HB SER 60 1HB SER 60 15.073 3.897 -10.050 450 2HB SER 60 2HB SER 60 14.254 2.755 -9.004 451 HG SER 60 HG SER 60 12.798 4.213 -10.020 452 H GLN 61 H GLN 61 16.806 4.224 -5.908 453 HA GLN 61 HA GLN 61 15.990 1.853 -4.638 454 1HB GLN 61 1HB GLN 61 17.196 2.594 -2.760 455 2HB GLN 61 2HB GLN 61 18.019 3.260 -4.158 456 1HG GLN 61 1HG GLN 61 16.738 5.394 -3.779 457 2HG GLN 61 2HG GLN 61 16.170 4.711 -2.269 458 1HE2 GLN 61 2HE2 GLN 61 17.889 4.046 -0.670 459 2HE2 GLN 61 1HE2 GLN 61 19.359 4.995 -0.639 460 H GLN 62 H GLN 62 14.281 4.810 -4.865 461 HA GLN 62 HA GLN 62 12.643 4.610 -2.554 462 1HB GLN 62 1HB GLN 62 12.507 6.023 -5.155 463 2HB GLN 62 2HB GLN 62 11.099 6.002 -4.113 464 1HG GLN 62 1HG GLN 62 13.858 6.907 -3.309 465 2HG GLN 62 2HG GLN 62 12.519 7.968 -3.698 466 1HE2 GLN 62 2HE2 GLN 62 13.553 8.528 -1.358 467 2HE2 GLN 62 1HE2 GLN 62 12.582 7.906 -0.043 468 H LEU 63 H LEU 63 11.800 3.841 -5.939 469 HA LEU 63 HA LEU 63 9.399 2.452 -5.376 470 1HB LEU 63 1HB LEU 63 11.298 2.684 -7.626 471 2HB LEU 63 2HB LEU 63 10.240 1.288 -7.643 472 HG LEU 63 HG LEU 63 8.316 2.658 -7.564 473 1HD1 LEU 63 1HD1 LEU 63 9.048 4.457 -6.089 474 2HD1 LEU 63 2HD1 LEU 63 10.131 5.078 -7.383 475 3HD1 LEU 63 3HD1 LEU 63 8.348 5.117 -7.607 476 1HD2 LEU 63 1HD2 LEU 63 10.263 3.720 -9.620 477 2HD2 LEU 63 2HD2 LEU 63 9.223 2.261 -9.776 478 3HD2 LEU 63 3HD2 LEU 63 8.475 3.895 -9.687 479 H GLN 64 H GLN 64 12.769 1.334 -5.398 480 HA GLN 64 HA GLN 64 12.363 -1.419 -5.122 481 1HB GLN 64 1HB GLN 64 14.573 -0.687 -5.279 482 2HB GLN 64 2HB GLN 64 14.382 0.454 -3.963 483 1HG GLN 64 1HG GLN 64 14.325 -1.290 -2.351 484 2HG GLN 64 2HG GLN 64 14.216 -2.518 -3.596 485 1HE2 GLN 64 2HE2 GLN 64 15.998 -2.820 -1.607 486 2HE2 GLN 64 1HE2 GLN 64 17.625 -2.560 -2.194 487 H GLN 65 H GLN 65 11.934 1.135 -2.655 488 HA GLN 65 HA GLN 65 11.419 -0.638 -0.505 489 1HB GLN 65 1HB GLN 65 11.827 1.891 -0.445 490 2HB GLN 65 2HB GLN 65 10.108 2.032 -0.753 491 1HG GLN 65 1HG GLN 65 9.526 1.135 1.285 492 2HG GLN 65 2HG GLN 65 11.011 0.216 1.422 493 1HE2 GLN 65 2HE2 GLN 65 10.885 1.082 3.706 494 2HE2 GLN 65 1HE2 GLN 65 11.619 2.644 3.993 495 H CYS 66 H CYS 66 9.219 0.790 -2.934 496 HA CYS 66 HA CYS 66 6.834 -0.403 -1.971 497 1HB CYS 66 1HB CYS 66 6.538 1.311 -3.513 498 2HB CYS 66 2HB CYS 66 7.698 0.625 -4.631 499 H CYS 67 H CYS 67 9.140 -1.525 -4.519 500 HA CYS 67 HA CYS 67 7.644 -3.873 -5.040 501 1HB CYS 67 1HB CYS 67 9.725 -2.809 -6.231 502 2HB CYS 67 2HB CYS 67 10.567 -3.997 -5.258 503 H ASN 68 H ASN 68 10.555 -3.528 -2.867 504 HA ASN 68 HA ASN 68 10.377 -6.019 -1.616 505 1HB ASN 68 1HB ASN 68 12.192 -4.430 -1.338 506 2HB ASN 68 2HB ASN 68 11.136 -3.378 -0.419 507 1HD2 ASN 68 2HD2 ASN 68 12.903 -3.521 1.190 508 2HD2 ASN 68 1HD2 ASN 68 12.914 -4.891 2.279 509 H GLN 69 H GLN 69 8.513 -3.066 -0.828 510 HA GLN 69 HA GLN 69 7.157 -4.070 1.436 511 1HB GLN 69 1HB GLN 69 6.657 -1.857 -0.482 512 2HB GLN 69 2HB GLN 69 5.380 -2.316 0.625 513 1HG GLN 69 1HG GLN 69 8.025 -2.077 1.866 514 2HG GLN 69 2HG GLN 69 7.407 -0.575 1.207 515 1HE2 GLN 69 2HE2 GLN 69 7.764 -0.300 3.730 516 2HE2 GLN 69 1HE2 GLN 69 6.278 -0.456 4.641 517 H VAL 70 H VAL 70 6.100 -3.985 -1.984 518 HA VAL 70 HA VAL 70 3.762 -5.532 -1.508 519 HB VAL 70 HB VAL 70 5.440 -5.126 -3.949 520 1HG1 VAL 70 1HG1 VAL 70 4.112 -7.219 -4.158 521 2HG1 VAL 70 2HG1 VAL 70 2.639 -6.296 -3.696 522 3HG1 VAL 70 3HG1 VAL 70 3.487 -5.922 -5.237 523 1HG2 VAL 70 1HG2 VAL 70 2.822 -3.924 -2.947 524 2HG2 VAL 70 2HG2 VAL 70 4.420 -3.101 -2.949 525 3HG2 VAL 70 3HG2 VAL 70 3.623 -3.519 -4.505 526 H LYS 71 H LYS 71 7.139 -6.460 -2.112 527 HA LYS 71 HA LYS 71 6.563 -9.209 -2.604 528 1HB LYS 71 1HB LYS 71 8.750 -7.741 -2.829 529 2HB LYS 71 2HB LYS 71 9.085 -8.465 -1.269 530 1HG LYS 71 1HG LYS 71 9.862 -10.237 -2.396 531 2HG LYS 71 2HG LYS 71 8.196 -10.590 -2.807 532 1HD LYS 71 1HD LYS 71 8.368 -9.507 -4.905 533 2HD LYS 71 2HD LYS 71 9.838 -8.673 -4.447 534 1HE LYS 71 1HE LYS 71 9.648 -11.662 -4.734 535 2HE LYS 71 2HE LYS 71 10.173 -10.600 -6.024 536 1HZ LYS 71 1HZ LYS 71 11.952 -9.849 -4.614 537 2HZ LYS 71 2HZ LYS 71 11.455 -10.852 -3.395 538 3HZ LYS 71 3HZ LYS 71 12.027 -11.491 -4.812 539 H GLN 72 H GLN 72 6.811 -7.396 0.359 540 HA GLN 72 HA GLN 72 6.590 -9.797 1.999 541 1HB GLN 72 1HB GLN 72 6.790 -8.324 3.872 542 2HB GLN 72 2HB GLN 72 8.071 -8.039 2.711 543 1HG GLN 72 1HG GLN 72 7.125 -5.995 2.030 544 2HG GLN 72 2HG GLN 72 5.631 -6.323 2.885 545 1HE2 GLN 72 2HE2 GLN 72 8.827 -6.836 4.260 546 2HE2 GLN 72 1HE2 GLN 72 8.720 -5.540 5.431 547 H VAL 73 H VAL 73 4.385 -8.121 0.198 548 HA VAL 73 HA VAL 73 2.257 -7.625 1.978 549 HB VAL 73 HB VAL 73 2.472 -6.956 -0.444 550 1HG1 VAL 73 1HG1 VAL 73 2.801 -9.114 -1.529 551 2HG1 VAL 73 2HG1 VAL 73 1.185 -9.654 -0.955 552 3HG1 VAL 73 3HG1 VAL 73 1.314 -8.313 -2.144 553 1HG2 VAL 73 1HG2 VAL 73 -0.211 -7.962 0.526 554 2HG2 VAL 73 2HG2 VAL 73 0.513 -6.347 0.844 555 3HG2 VAL 73 3HG2 VAL 73 0.044 -6.808 -0.830 556 H ARG 74 H ARG 74 0.086 -8.879 1.779 557 HA ARG 74 HA ARG 74 0.208 -11.354 2.965 558 1HB ARG 74 1HB ARG 74 -1.818 -9.735 1.861 559 2HB ARG 74 2HB ARG 74 -2.125 -11.400 1.411 560 1HG ARG 74 1HG ARG 74 -1.328 -10.983 4.214 561 2HG ARG 74 2HG ARG 74 -2.886 -10.315 3.769 562 1HD ARG 74 1HD ARG 74 -3.535 -12.518 2.838 563 2HD ARG 74 2HD ARG 74 -1.997 -13.173 3.365 564 HE ARG 74 HE ARG 74 -3.063 -12.095 5.653 565 1HH1 ARG 74 1HH2 ARG 74 -4.253 -14.470 3.369 566 2HH1 ARG 74 2HH2 ARG 74 -5.208 -15.286 4.586 567 1HH2 ARG 74 1HH1 ARG 74 -4.279 -13.161 7.141 568 2HH2 ARG 74 2HH1 ARG 74 -5.222 -14.560 6.680 569 H ASP 75 H ASP 75 -0.766 -11.149 -0.366 570 HA ASP 75 HA ASP 75 0.815 -12.771 -1.819 571 1HB ASP 75 1HB ASP 75 -0.749 -14.402 0.054 572 2HB ASP 75 2HB ASP 75 -0.812 -14.937 -1.613 573 H GLU 76 H GLU 76 -2.515 -12.181 -0.890 574 HA GLU 76 HA GLU 76 -3.286 -11.806 -3.700 575 1HB GLU 76 1HB GLU 76 -5.166 -13.220 -3.543 576 2HB GLU 76 2HB GLU 76 -3.704 -14.106 -3.157 577 1HG GLU 76 1HG GLU 76 -4.580 -14.792 -1.266 578 2HG GLU 76 2HG GLU 76 -4.864 -13.140 -0.757 579 H CYS 77 H CYS 77 -3.092 -10.370 -0.946 580 HA CYS 77 HA CYS 77 -5.662 -8.915 -1.102 581 1HB CYS 77 1HB CYS 77 -3.737 -9.500 1.082 582 2HB CYS 77 2HB CYS 77 -4.890 -8.186 1.214 583 H GLN 78 H GLN 78 -2.385 -8.641 -1.883 584 HA GLN 78 HA GLN 78 -1.789 -5.949 -1.654 585 1HB GLN 78 1HB GLN 78 -0.658 -6.329 -3.873 586 2HB GLN 78 2HB GLN 78 -0.185 -7.322 -2.509 587 1HG GLN 78 1HG GLN 78 -0.203 -8.431 -4.743 588 2HG GLN 78 2HG GLN 78 -1.074 -9.252 -3.464 589 1HE2 GLN 78 2HE2 GLN 78 -3.260 -9.693 -3.714 590 2HE2 GLN 78 1HE2 GLN 78 -4.176 -9.219 -5.127 591 H CYS 79 H CYS 79 -4.292 -7.378 -3.626 592 HA CYS 79 HA CYS 79 -4.535 -5.231 -5.529 593 1HB CYS 79 1HB CYS 79 -5.479 -7.799 -5.307 594 2HB CYS 79 2HB CYS 79 -6.912 -6.826 -5.044 595 H GLU 80 H GLU 80 -6.851 -6.381 -3.068 596 HA GLU 80 HA GLU 80 -8.382 -4.046 -2.875 597 1HB GLU 80 1HB GLU 80 -8.683 -6.356 -1.763 598 2HB GLU 80 2HB GLU 80 -7.709 -5.688 -0.470 599 1HG GLU 80 1HG GLU 80 -9.767 -4.987 0.294 600 2HG GLU 80 2HG GLU 80 -9.463 -3.658 -0.806 601 H ALA 81 H ALA 81 -5.321 -4.832 -1.271 602 HA ALA 81 HA ALA 81 -5.001 -2.719 0.481 603 1HB ALA 81 1HB ALA 81 -3.453 -4.556 0.176 604 2HB ALA 81 2HB ALA 81 -3.034 -3.928 -1.457 605 3HB ALA 81 3HB ALA 81 -2.608 -2.977 0.009 606 H ILE 82 H ILE 82 -4.334 -2.611 -3.057 607 HA ILE 82 HA ILE 82 -3.679 0.121 -3.243 608 HB ILE 82 HB ILE 82 -4.917 -1.797 -5.130 609 1HG1 ILE 82 1HG1 ILE 82 -2.573 -2.043 -4.548 610 2HG1 ILE 82 2HG1 ILE 82 -2.834 -1.731 -6.252 611 1HG2 ILE 82 1HG2 ILE 82 -5.898 0.310 -5.790 612 2HG2 ILE 82 2HG2 ILE 82 -4.268 1.069 -5.808 613 3HG2 ILE 82 3HG2 ILE 82 -4.670 -0.225 -6.989 614 1HD1 ILE 82 1HD1 ILE 82 -2.160 0.611 -5.950 615 2HD1 ILE 82 2HD1 ILE 82 -1.893 0.290 -4.200 616 3HD1 ILE 82 3HD1 ILE 82 -0.869 -0.529 -5.431 617 H LYS 83 H LYS 83 -6.945 -1.366 -3.593 618 HA LYS 83 HA LYS 83 -8.267 1.161 -3.667 619 1HB LYS 83 1HB LYS 83 -9.063 -1.638 -3.375 620 2HB LYS 83 2HB LYS 83 -10.200 -0.446 -2.779 621 1HG LYS 83 1HG LYS 83 -10.655 -0.963 -5.114 622 2HG LYS 83 2HG LYS 83 -10.131 0.701 -4.942 623 1HD LYS 83 1HD LYS 83 -8.005 0.237 -5.850 624 2HD LYS 83 2HD LYS 83 -8.228 -1.494 -5.688 625 1HE LYS 83 1HE LYS 83 -9.621 0.317 -7.638 626 2HE LYS 83 2HE LYS 83 -8.394 -0.879 -8.008 627 1HZ LYS 83 1HZ LYS 83 -9.890 -2.576 -7.248 628 2HZ LYS 83 2HZ LYS 83 -11.049 -1.446 -6.898 629 3HZ LYS 83 3HZ LYS 83 -10.585 -1.699 -8.468 630 H TYR 84 H TYR 84 -6.693 -0.206 -1.098 631 HA TYR 84 HA TYR 84 -8.155 1.198 1.026 632 1HB TYR 84 1HB TYR 84 -7.851 -1.109 1.398 633 2HB TYR 84 2HB TYR 84 -6.170 -1.040 0.907 634 HD1 TYR 84 1HD TYR 84 -4.422 -0.586 2.453 635 HD2 TYR 84 2HD TYR 84 -8.569 -0.072 3.519 636 HE1 TYR 84 1HE TYR 84 -3.761 0.245 4.702 637 HE2 TYR 84 2HE TYR 84 -7.930 0.322 5.883 638 HH TYR 84 HH TYR 84 -6.281 0.816 7.239 639 H ILE 85 H ILE 85 -6.055 2.168 -1.152 640 HA ILE 85 HA ILE 85 -4.762 4.024 0.673 641 HB ILE 85 HB ILE 85 -3.260 2.163 0.772 642 1HG1 ILE 85 1HG1 ILE 85 -1.297 3.501 -0.548 643 2HG1 ILE 85 2HG1 ILE 85 -2.493 4.755 -0.290 644 1HG2 ILE 85 1HG2 ILE 85 -3.685 1.075 -1.379 645 2HG2 ILE 85 2HG2 ILE 85 -2.925 2.467 -2.227 646 3HG2 ILE 85 3HG2 ILE 85 -1.932 1.413 -1.161 647 1HD1 ILE 85 1HD1 ILE 85 -2.435 4.347 2.121 648 2HD1 ILE 85 2HD1 ILE 85 -1.209 3.059 1.856 649 3HD1 ILE 85 3HD1 ILE 85 -0.813 4.771 1.471 650 H ALA 86 H ALA 86 -4.453 2.939 -2.717 651 HA ALA 86 HA ALA 86 -4.075 5.472 -3.854 652 1HB ALA 86 1HB ALA 86 -3.686 3.378 -5.081 653 2HB ALA 86 2HB ALA 86 -5.449 3.027 -5.026 654 3HB ALA 86 3HB ALA 86 -4.841 4.436 -5.964 655 H GLU 87 H GLU 87 -7.137 3.602 -3.934 656 HA GLU 87 HA GLU 87 -8.667 5.975 -4.431 657 1HB GLU 87 1HB GLU 87 -9.121 3.271 -4.580 658 2HB GLU 87 2HB GLU 87 -10.185 3.802 -3.295 659 1HG GLU 87 1HG GLU 87 -10.795 5.728 -4.935 660 2HG GLU 87 2HG GLU 87 -10.119 4.673 -6.161 661 H ASP 88 H ASP 88 -7.798 4.289 -1.457 662 HA ASP 88 HA ASP 88 -9.660 5.461 0.326 663 1HB ASP 88 1HB ASP 88 -7.859 3.573 0.579 664 2HB ASP 88 2HB ASP 88 -6.863 4.898 1.146 665 H GLN 89 H GLN 89 -6.227 6.334 -0.146 666 HA GLN 89 HA GLN 89 -6.315 8.809 1.137 667 1HB GLN 89 1HB GLN 89 -4.254 9.305 0.303 668 2HB GLN 89 2HB GLN 89 -4.259 7.555 0.221 669 1HG GLN 89 1HG GLN 89 -4.805 7.697 -2.188 670 2HG GLN 89 2HG GLN 89 -4.708 9.444 -2.086 671 1HE2 GLN 89 2HE2 GLN 89 -2.594 6.901 -0.725 672 2HE2 GLN 89 1HE2 GLN 89 -1.145 7.478 -1.517 673 H ILE 90 H ILE 90 -7.192 7.991 -2.224 674 HA ILE 90 HA ILE 90 -7.485 10.606 -3.192 675 HB ILE 90 HB ILE 90 -8.738 8.010 -3.939 676 1HG1 ILE 90 1HG1 ILE 90 -7.202 9.920 -5.638 677 2HG1 ILE 90 2HG1 ILE 90 -6.405 8.773 -4.580 678 1HG2 ILE 90 1HG2 ILE 90 -10.554 9.633 -4.304 679 2HG2 ILE 90 2HG2 ILE 90 -9.422 10.668 -5.243 680 3HG2 ILE 90 3HG2 ILE 90 -9.880 9.043 -5.862 681 1HD1 ILE 90 1HD1 ILE 90 -7.444 6.885 -5.808 682 2HD1 ILE 90 2HD1 ILE 90 -8.261 8.063 -6.893 683 3HD1 ILE 90 3HD1 ILE 90 -6.468 7.930 -6.898 684 H GLN 91 H GLN 91 -9.877 8.544 -1.565 685 HA GLN 91 HA GLN 91 -11.853 10.605 -1.461 686 1HB GLN 91 1HB GLN 91 -11.603 7.847 -0.618 687 2HB GLN 91 2HB GLN 91 -12.543 8.822 0.496 688 1HG GLN 91 1HG GLN 91 -13.861 9.667 -1.432 689 2HG GLN 91 2HG GLN 91 -12.977 8.571 -2.474 690 1HE2 GLN 91 2HE2 GLN 91 -15.879 8.913 -0.945 691 2HE2 GLN 91 1HE2 GLN 91 -16.270 7.224 -0.710 692 H GLN 92 H GLN 92 -9.553 9.418 0.943 693 HA GLN 92 HA GLN 92 -10.482 10.949 3.127 694 1HB GLN 92 1HB GLN 92 -8.695 8.909 2.781 695 2HB GLN 92 2HB GLN 92 -7.629 10.255 3.125 696 1HG GLN 92 1HG GLN 92 -8.086 9.747 5.285 697 2HG GLN 92 2HG GLN 92 -9.549 10.663 4.986 698 1HE2 GLN 92 2HE2 GLN 92 -11.359 9.600 5.773 699 2HE2 GLN 92 1HE2 GLN 92 -11.536 7.860 5.784 700 H GLY 93 H GLY 93 -7.557 11.343 1.245 701 1HA GLY 93 1HA GLY 93 -6.878 13.977 1.996 702 2HA GLY 93 2HA GLY 93 -6.320 13.113 0.578 703 H GLN 94 H GLN 94 -6.635 15.730 0.302 704 HA GLN 94 HA GLN 94 -9.258 16.415 -0.658 705 1HB GLN 94 1HB GLN 94 -6.879 17.804 0.057 706 2HB GLN 94 2HB GLN 94 -7.407 18.342 -1.524 707 1HG GLN 94 1HG GLN 94 -9.583 18.876 -0.724 708 2HG GLN 94 2HG GLN 94 -9.322 18.006 0.774 709 1HE2 GLN 94 2HE2 GLN 94 -8.711 19.156 2.505 710 2HE2 GLN 94 1HE2 GLN 94 -7.998 20.752 2.450 711 H LEU 95 H LEU 95 -8.325 14.065 -2.067 712 HA LEU 95 HA LEU 95 -7.557 15.126 -4.687 713 1HB LEU 95 1HB LEU 95 -8.138 12.290 -3.969 714 2HB LEU 95 2HB LEU 95 -7.250 12.889 -5.356 715 HG LEU 95 HG LEU 95 -5.636 12.040 -3.893 716 1HD1 LEU 95 1HD1 LEU 95 -4.901 14.231 -4.739 717 2HD1 LEU 95 2HD1 LEU 95 -5.665 15.025 -3.318 718 3HD1 LEU 95 3HD1 LEU 95 -4.265 13.921 -3.086 719 1HD2 LEU 95 1HD2 LEU 95 -6.822 13.637 -1.633 720 2HD2 LEU 95 2HD2 LEU 95 -6.892 11.851 -1.826 721 3HD2 LEU 95 3HD2 LEU 95 -5.309 12.667 -1.570 722 H HIS 96 H HIS 96 -10.313 15.501 -3.226 723 HA HIS 96 HA HIS 96 -12.076 14.436 -5.328 724 1HB HIS 96 1HB HIS 96 -12.386 15.530 -2.610 725 2HB HIS 96 2HB HIS 96 -13.727 15.741 -3.717 726 HD1 HIS 96 1HD HIS 96 -15.356 14.004 -2.733 727 HD2 HIS 96 2HD HIS 96 -11.495 12.553 -3.615 728 HE1 HIS 96 1HE HIS 96 -15.465 11.442 -2.485 729 HE2 HIS 96 2HE HIS 96 -13.122 10.573 -3.125 730 H GLY 97 H GLY 97 -13.989 16.169 -5.789 731 1HA GLY 97 1HA GLY 97 -14.536 18.251 -6.709 732 2HA GLY 97 2HA GLY 97 -12.932 18.845 -6.325 733 H GLU 98 H GLU 98 -11.132 17.729 -7.635 734 HA GLU 98 HA GLU 98 -11.621 16.652 -10.228 735 1HB GLU 98 1HB GLU 98 -12.325 19.094 -10.465 736 2HB GLU 98 2HB GLU 98 -10.613 19.458 -10.386 737 1HG GLU 98 1HG GLU 98 -10.153 18.338 -12.381 738 2HG GLU 98 2HG GLU 98 -11.613 17.375 -12.290 739 H GLU 99 H GLU 99 -10.002 15.973 -8.038 740 HA GLU 99 HA GLU 99 -7.341 16.042 -9.252 741 1HB GLU 99 1HB GLU 99 -6.441 16.456 -6.840 742 2HB GLU 99 2HB GLU 99 -6.821 17.768 -7.938 743 1HG GLU 99 1HG GLU 99 -8.983 18.053 -6.823 744 2HG GLU 99 2HG GLU 99 -8.559 16.772 -5.703 745 H SER 100 H SER 100 -9.529 14.092 -8.797 746 HA SER 100 HA SER 100 -8.328 12.069 -7.047 747 1HB SER 100 1HB SER 100 -10.495 11.809 -6.637 748 2HB SER 100 2HB SER 100 -10.969 12.593 -8.129 749 HG SER 100 HG SER 100 -11.657 10.435 -8.017 750 H GLU 101 H GLU 101 -9.073 12.628 -10.426 751 HA GLU 101 HA GLU 101 -7.966 10.154 -11.341 752 1HB GLU 101 1HB GLU 101 -8.973 12.655 -12.509 753 2HB GLU 101 2HB GLU 101 -7.849 11.746 -13.498 754 1HG GLU 101 1HG GLU 101 -9.538 10.394 -14.083 755 2HG GLU 101 2HG GLU 101 -9.631 9.856 -12.419 756 H ARG 102 H ARG 102 -6.588 13.367 -10.785 757 HA ARG 102 HA ARG 102 -4.066 12.845 -11.988 758 1HB ARG 102 1HB ARG 102 -3.241 14.732 -10.851 759 2HB ARG 102 2HB ARG 102 -4.892 15.070 -11.331 760 1HG ARG 102 1HG ARG 102 -5.285 15.700 -9.246 761 2HG ARG 102 2HG ARG 102 -5.104 14.024 -8.769 762 1HD ARG 102 1HD ARG 102 -2.797 14.357 -8.270 763 2HD ARG 102 2HD ARG 102 -2.850 15.986 -8.913 764 HE ARG 102 HE ARG 102 -4.650 15.402 -6.670 765 1HH1 ARG 102 1HH2 ARG 102 -1.558 16.736 -7.588 766 2HH1 ARG 102 2HH2 ARG 102 -1.416 17.686 -6.125 767 1HH2 ARG 102 1HH1 ARG 102 -4.440 16.682 -4.809 768 2HH2 ARG 102 2HH1 ARG 102 -3.002 17.655 -4.599 769 H VAL 103 H VAL 103 -5.339 11.914 -8.863 770 HA VAL 103 HA VAL 103 -2.780 11.059 -7.807 771 HB VAL 103 HB VAL 103 -5.603 10.836 -6.883 772 1HG1 VAL 103 1HG1 VAL 103 -4.469 8.759 -6.160 773 2HG1 VAL 103 2HG1 VAL 103 -3.141 9.753 -5.468 774 3HG1 VAL 103 3HG1 VAL 103 -4.796 9.857 -4.775 775 1HG2 VAL 103 1HG2 VAL 103 -3.108 12.237 -5.857 776 2HG2 VAL 103 2HG2 VAL 103 -4.476 13.013 -6.728 777 3HG2 VAL 103 3HG2 VAL 103 -4.734 12.313 -5.092 778 H ALA 104 H ALA 104 -5.496 9.543 -9.463 779 HA ALA 104 HA ALA 104 -4.682 6.862 -9.229 780 1HB ALA 104 1HB ALA 104 -6.863 7.535 -10.107 781 2HB ALA 104 2HB ALA 104 -6.059 8.281 -11.531 782 3HB ALA 104 3HB ALA 104 -5.996 6.500 -11.294 783 H GLN 105 H GLN 105 -3.654 9.380 -11.556 784 HA GLN 105 HA GLN 105 -1.894 7.714 -13.035 785 1HB GLN 105 1HB GLN 105 -2.410 9.749 -14.021 786 2HB GLN 105 2HB GLN 105 -1.965 10.656 -12.589 787 1HG GLN 105 1HG GLN 105 0.214 10.762 -13.190 788 2HG GLN 105 2HG GLN 105 0.242 9.099 -13.740 789 1HE2 GLN 105 2HE2 GLN 105 -1.067 12.301 -14.669 790 2HE2 GLN 105 1HE2 GLN 105 -0.890 12.044 -16.390 791 H ARG 106 H ARG 106 -1.217 9.841 -10.249 792 HA ARG 106 HA ARG 106 1.514 9.370 -10.002 793 1HB ARG 106 1HB ARG 106 -0.625 10.199 -8.208 794 2HB ARG 106 2HB ARG 106 0.767 9.487 -7.414 795 1HG ARG 106 1HG ARG 106 1.428 11.653 -7.421 796 2HG ARG 106 2HG ARG 106 2.055 11.175 -8.986 797 1HD ARG 106 1HD ARG 106 0.923 13.128 -9.498 798 2HD ARG 106 2HD ARG 106 -0.282 11.906 -9.853 799 HE ARG 106 HE ARG 106 -1.599 12.737 -8.148 800 1HH1 ARG 106 1HH2 ARG 106 1.639 14.009 -7.736 801 2HH1 ARG 106 2HH2 ARG 106 1.185 14.952 -6.335 802 1HH2 ARG 106 1HH1 ARG 106 -2.059 13.939 -6.264 803 2HH2 ARG 106 2HH1 ARG 106 -0.796 14.914 -5.545 804 H ALA 107 H ALA 107 -1.129 7.505 -8.505 805 HA ALA 107 HA ALA 107 0.562 5.611 -7.239 806 1HB ALA 107 1HB ALA 107 -1.776 5.956 -6.661 807 2HB ALA 107 2HB ALA 107 -2.266 5.367 -8.287 808 3HB ALA 107 3HB ALA 107 -1.486 4.242 -7.121 809 H GLY 108 H GLY 108 -1.293 5.300 -10.213 810 1HA GLY 108 1HA GLY 108 -0.527 3.051 -11.428 811 2HA GLY 108 2HA GLY 108 -0.742 4.562 -12.288 812 H GLU 109 H GLU 109 1.601 5.892 -11.217 813 HA GLU 109 HA GLU 109 3.750 5.062 -12.797 814 1HB GLU 109 1HB GLU 109 3.955 6.498 -10.164 815 2HB GLU 109 2HB GLU 109 5.138 6.504 -11.456 816 1HG GLU 109 1HG GLU 109 3.064 7.387 -12.848 817 2HG GLU 109 2HG GLU 109 2.532 7.912 -11.265 818 H ILE 110 H ILE 110 3.475 4.613 -9.278 819 HA ILE 110 HA ILE 110 5.656 2.752 -9.191 820 HB ILE 110 HB ILE 110 3.557 3.189 -7.108 821 1HG1 ILE 110 1HG1 ILE 110 4.366 5.301 -7.130 822 2HG1 ILE 110 2HG1 ILE 110 5.595 4.557 -6.127 823 1HG2 ILE 110 1HG2 ILE 110 4.833 1.125 -6.844 824 2HG2 ILE 110 2HG2 ILE 110 6.368 2.047 -7.010 825 3HG2 ILE 110 3HG2 ILE 110 5.309 2.315 -5.582 826 1HD1 ILE 110 1HD1 ILE 110 7.099 4.363 -8.072 827 2HD1 ILE 110 2HD1 ILE 110 5.838 5.126 -9.102 828 3HD1 ILE 110 3HD1 ILE 110 6.608 6.067 -7.777 829 H VAL 111 H VAL 111 2.266 2.505 -9.685 830 HA VAL 111 HA VAL 111 1.970 -0.243 -9.164 831 HB VAL 111 HB VAL 111 0.507 1.459 -11.096 832 1HG1 VAL 111 1HG1 VAL 111 0.213 -0.868 -11.752 833 2HG1 VAL 111 2HG1 VAL 111 -0.244 -1.287 -10.064 834 3HG1 VAL 111 3HG1 VAL 111 -1.300 -0.208 -11.039 835 1HG2 VAL 111 1HG2 VAL 111 -0.051 0.679 -8.217 836 2HG2 VAL 111 2HG2 VAL 111 0.420 2.305 -8.823 837 3HG2 VAL 111 3HG2 VAL 111 -1.175 1.606 -9.270 838 H SER 112 H SER 112 2.217 1.199 -12.430 839 HA SER 112 HA SER 112 2.977 -1.085 -13.812 840 1HB SER 112 1HB SER 112 3.094 1.771 -14.279 841 2HB SER 112 2HB SER 112 4.415 0.921 -15.055 842 HG SER 112 HG SER 112 2.510 0.956 -16.357 843 H SER 113 H SER 113 5.042 0.891 -11.738 844 HA SER 113 HA SER 113 7.503 -0.335 -12.545 845 1HB SER 113 1HB SER 113 7.552 1.772 -11.436 846 2HB SER 113 2HB SER 113 6.685 1.127 -10.055 847 HG SER 113 HG SER 113 8.962 1.183 -9.713 848 H CYS 114 H CYS 114 6.015 -0.681 -9.351 849 HA CYS 114 HA CYS 114 6.334 -3.572 -9.328 850 1HB CYS 114 1HB CYS 114 8.168 -1.763 -8.039 851 2HB CYS 114 2HB CYS 114 7.488 -2.955 -6.950 852 H GLY 115 H GLY 115 4.085 -1.841 -9.280 853 1HA GLY 115 1HA GLY 115 2.820 -2.524 -6.697 854 2HA GLY 115 2HA GLY 115 2.670 -0.919 -7.383 855 H VAL 116 H VAL 116 2.762 -3.644 -9.547 856 HA VAL 116 HA VAL 116 0.191 -3.182 -10.683 857 HB VAL 116 HB VAL 116 2.248 -5.299 -11.159 858 1HG1 VAL 116 1HG1 VAL 116 0.072 -6.312 -11.670 859 2HG1 VAL 116 2HG1 VAL 116 -0.337 -4.893 -12.694 860 3HG1 VAL 116 3HG1 VAL 116 1.007 -5.987 -13.170 861 1HG2 VAL 116 1HG2 VAL 116 1.310 -2.956 -12.850 862 2HG2 VAL 116 2HG2 VAL 116 2.861 -3.057 -11.948 863 3HG2 VAL 116 3HG2 VAL 116 2.553 -4.163 -13.330 864 H ARG 117 H ARG 117 -0.918 -3.298 -8.562 865 HA ARG 117 HA ARG 117 -1.366 -6.064 -7.621 866 1HB ARG 117 1HB ARG 117 -2.366 -3.788 -6.070 867 2HB ARG 117 2HB ARG 117 -1.777 -5.351 -5.540 868 1HG ARG 117 1HG ARG 117 0.081 -3.339 -6.668 869 2HG ARG 117 2HG ARG 117 -0.436 -3.252 -4.996 870 1HD ARG 117 1HD ARG 117 0.958 -4.878 -4.412 871 2HD ARG 117 2HD ARG 117 0.343 -5.928 -5.672 872 HE ARG 117 HE ARG 117 2.585 -4.031 -5.913 873 1HH1 ARG 117 1HH2 ARG 117 0.822 -6.705 -7.274 874 2HH1 ARG 117 2HH2 ARG 117 2.058 -7.019 -8.471 875 1HH2 ARG 117 1HH1 ARG 117 4.117 -4.498 -7.449 876 2HH2 ARG 117 2HH1 ARG 117 3.851 -5.817 -8.567 877 H CYS 118 H CYS 118 -3.356 -3.188 -7.471 878 HA CYS 118 HA CYS 118 -5.425 -4.518 -9.099 879 1HB CYS 118 1HB CYS 118 -5.552 -3.726 -6.390 880 2HB CYS 118 2HB CYS 118 -6.651 -2.737 -7.330 881 H MET 119 H MET 119 -3.282 -2.082 -9.033 882 HA MET 119 HA MET 119 -4.988 -0.011 -10.236 883 1HB MET 119 1HB MET 119 -2.431 -0.184 -8.872 884 2HB MET 119 2HB MET 119 -2.441 0.922 -10.232 885 1HG MET 119 1HG MET 119 -4.741 1.283 -8.566 886 2HG MET 119 2HG MET 119 -3.256 1.423 -7.647 887 1HE MET 119 1HE MET 119 -3.974 2.406 -11.388 888 2HE MET 119 2HE MET 119 -5.476 2.847 -10.503 889 3HE MET 119 3HE MET 119 -4.422 4.135 -11.184 890 H ARG 120 H ARG 120 -3.609 -2.728 -11.354 891 HA ARG 120 HA ARG 120 -3.537 -1.771 -14.091 892 1HB ARG 120 1HB ARG 120 -1.251 -1.350 -13.375 893 2HB ARG 120 2HB ARG 120 -1.085 -3.029 -12.905 894 1HG ARG 120 1HG ARG 120 -2.045 -2.754 -15.639 895 2HG ARG 120 2HG ARG 120 -0.498 -1.966 -15.405 896 1HD ARG 120 1HD ARG 120 0.559 -3.929 -14.798 897 2HD ARG 120 2HD ARG 120 -0.947 -4.724 -14.384 898 HE ARG 120 HE ARG 120 -1.152 -4.319 -17.078 899 1HH1 ARG 120 1HH2 ARG 120 1.405 -5.806 -15.174 900 2HH1 ARG 120 2HH2 ARG 120 1.731 -7.000 -16.410 901 1HH2 ARG 120 1HH1 ARG 120 -0.748 -5.930 -18.532 902 2HH2 ARG 120 2HH1 ARG 120 0.551 -7.067 -18.248 903 H GLN 121 H GLN 121 -2.567 -4.614 -12.196 904 HA GLN 121 HA GLN 121 -4.527 -6.303 -13.599 905 1HB GLN 121 1HB GLN 121 -1.554 -6.695 -13.686 906 2HB GLN 121 2HB GLN 121 -2.660 -8.047 -13.829 907 1HG GLN 121 1HG GLN 121 -2.833 -5.626 -15.578 908 2HG GLN 121 2HG GLN 121 -1.854 -7.019 -15.988 909 1HE2 GLN 121 2HE2 GLN 121 -2.777 -8.590 -17.119 910 2HE2 GLN 121 1HE2 GLN 121 -4.502 -8.815 -17.304 911 H THR 122 H THR 122 -5.466 -7.492 -12.284 912 HA THR 122 HA THR 122 -4.666 -7.791 -9.535 913 HB THR 122 HB THR 122 -6.884 -8.690 -9.247 914 HG1 THR 122 1HG THR 122 -8.235 -8.925 -11.065 915 1HG2 THR 122 1HG2 THR 122 -6.727 -6.219 -9.467 916 2HG2 THR 122 2HG2 THR 122 -6.937 -6.387 -11.245 917 3HG2 THR 122 3HG2 THR 122 -8.274 -6.845 -10.135 918 H ARG 123 H ARG 123 -3.743 -9.482 -8.601 919 HA ARG 123 HA ARG 123 -3.768 -12.098 -9.965 920 1HB ARG 123 1HB ARG 123 -1.675 -10.766 -10.586 921 2HB ARG 123 2HB ARG 123 -1.184 -10.986 -8.918 922 1HG ARG 123 1HG ARG 123 -0.563 -13.123 -9.322 923 2HG ARG 123 2HG ARG 123 -2.127 -13.490 -10.021 924 1HD ARG 123 1HD ARG 123 0.101 -12.098 -11.481 925 2HD ARG 123 2HD ARG 123 -0.236 -13.812 -11.600 926 HE ARG 123 HE ARG 123 -2.510 -12.091 -12.196 927 1HH1 ARG 123 1HH2 ARG 123 0.226 -13.759 -13.598 928 2HH1 ARG 123 2HH2 ARG 123 -0.486 -13.759 -15.195 929 1HH2 ARG 123 1HH1 ARG 123 -3.361 -12.127 -14.243 930 2HH2 ARG 123 2HH1 ARG 123 -2.460 -12.862 -15.550 931 H THR 124 H THR 124 -5.349 -11.548 -8.001 932 HA THR 124 HA THR 124 -4.459 -11.944 -5.384 933 HB THR 124 HB THR 124 -6.807 -12.339 -4.882 934 HG1 THR 124 1HG THR 124 -8.321 -12.326 -6.572 935 1HG2 THR 124 1HG2 THR 124 -6.188 -9.967 -5.403 936 2HG2 THR 124 2HG2 THR 124 -6.556 -10.288 -7.133 937 3HG2 THR 124 3HG2 THR 124 -7.870 -10.354 -5.907 938 H ASN 125 H ASN 125 -2.804 -13.557 -5.488 939 HA ASN 125 HA ASN 125 -3.731 -16.301 -5.119 940 1HB ASN 125 1HB ASN 125 -2.713 -15.395 -7.608 941 2HB ASN 125 2HB ASN 125 -1.512 -16.448 -6.887 942 1HD2 ASN 125 2HD2 ASN 125 -2.581 -17.101 -9.227 943 2HD2 ASN 125 1HD2 ASN 125 -3.635 -18.486 -9.046 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -0.425 -27.763 -2.980 2 2H ALA 1 2H ALA 1 -1.903 -27.895 -3.713 3 3H ALA 1 3H ALA 1 -1.668 -26.768 -2.522 4 HA ALA 1 HA ALA 1 -1.306 -28.480 -0.926 5 1HB ALA 1 1HB ALA 1 -3.550 -27.526 -1.179 6 2HB ALA 1 2HB ALA 1 -3.904 -28.717 -2.480 7 3HB ALA 1 3HB ALA 1 -3.640 -29.279 -0.793 8 H GLU 2 H GLU 2 -2.286 -30.871 -0.639 9 HA GLU 2 HA GLU 2 -1.738 -32.607 -2.893 10 1HB GLU 2 1HB GLU 2 0.103 -33.831 -1.810 11 2HB GLU 2 2HB GLU 2 0.546 -32.183 -2.209 12 1HG GLU 2 1HG GLU 2 -0.089 -31.596 0.193 13 2HG GLU 2 2HG GLU 2 -0.108 -33.322 0.496 14 H PHE 3 H PHE 3 -2.211 -32.252 0.598 15 HA PHE 3 HA PHE 3 -4.354 -34.180 0.599 16 1HB PHE 3 1HB PHE 3 -2.413 -35.668 0.534 17 2HB PHE 3 2HB PHE 3 -1.757 -34.872 1.950 18 HD1 PHE 3 1HD PHE 3 -2.071 -35.883 4.013 19 HD2 PHE 3 2HD PHE 3 -4.918 -36.580 0.874 20 HE1 PHE 3 1HE PHE 3 -3.311 -37.446 5.489 21 HE2 PHE 3 2HE PHE 3 -6.138 -38.169 2.340 22 HZ PHE 3 HZ PHE 3 -5.342 -38.603 4.650 23 H MET 4 H MET 4 -4.563 -31.626 1.277 24 HA MET 4 HA MET 4 -5.165 -31.805 4.117 25 1HB MET 4 1HB MET 4 -3.838 -29.882 4.764 26 2HB MET 4 2HB MET 4 -2.794 -31.118 4.090 27 1HG MET 4 1HG MET 4 -2.262 -29.865 2.266 28 2HG MET 4 2HG MET 4 -3.852 -29.133 2.176 29 1HE MET 4 1HE MET 4 -1.043 -29.424 4.918 30 2HE MET 4 2HE MET 4 -0.246 -28.947 3.379 31 3HE MET 4 3HE MET 4 -0.291 -27.800 4.762 32 H GLU 5 H GLU 5 -6.316 -29.876 4.900 33 HA GLU 5 HA GLU 5 -7.367 -28.090 2.844 34 1HB GLU 5 1HB GLU 5 -9.694 -28.609 3.293 35 2HB GLU 5 2HB GLU 5 -8.861 -30.033 2.702 36 1HG GLU 5 1HG GLU 5 -8.584 -30.092 5.496 37 2HG GLU 5 2HG GLU 5 -10.253 -29.653 5.192 38 H SER 6 H SER 6 -8.995 -26.531 3.871 39 HA SER 6 HA SER 6 -9.181 -26.068 6.598 40 1HB SER 6 1HB SER 6 -6.523 -25.582 5.719 41 2HB SER 6 2HB SER 6 -7.261 -24.037 6.091 42 HG SER 6 HG SER 6 -6.284 -25.007 7.932 43 H LYS 7 H LYS 7 -10.599 -24.463 6.932 44 HA LYS 7 HA LYS 7 -11.470 -22.962 4.601 45 1HB LYS 7 1HB LYS 7 -12.693 -23.971 6.903 46 2HB LYS 7 2HB LYS 7 -12.835 -22.227 7.001 47 1HG LYS 7 1HG LYS 7 -13.428 -22.665 4.372 48 2HG LYS 7 2HG LYS 7 -14.088 -24.108 5.116 49 1HD LYS 7 1HD LYS 7 -15.780 -22.971 6.076 50 2HD LYS 7 2HD LYS 7 -14.726 -21.665 6.584 51 1HE LYS 7 1HE LYS 7 -15.835 -20.452 5.030 52 2HE LYS 7 2HE LYS 7 -14.800 -21.280 3.884 53 1HZ LYS 7 1HZ LYS 7 -16.490 -22.944 3.634 54 2HZ LYS 7 2HZ LYS 7 -17.468 -22.162 4.717 55 3HZ LYS 7 3HZ LYS 7 -17.097 -21.447 3.270 56 H GLY 8 H GLY 8 -12.346 -20.589 5.639 57 1HA GLY 8 1HA GLY 8 -10.996 -18.927 7.180 58 2HA GLY 8 2HA GLY 8 -9.785 -19.168 5.937 59 H GLU 9 H GLU 9 -12.670 -17.585 6.851 60 HA GLU 9 HA GLU 9 -12.459 -15.748 4.655 61 1HB GLU 9 1HB GLU 9 -13.707 -17.859 3.758 62 2HB GLU 9 2HB GLU 9 -15.063 -17.201 4.652 63 1HG GLU 9 1HG GLU 9 -15.448 -15.680 3.055 64 2HG GLU 9 2HG GLU 9 -13.790 -15.119 3.131 65 H ARG 10 H ARG 10 -14.170 -14.068 4.732 66 HA ARG 10 HA ARG 10 -15.825 -13.938 7.107 67 1HB ARG 10 1HB ARG 10 -13.297 -13.173 7.565 68 2HB ARG 10 2HB ARG 10 -13.954 -11.665 6.960 69 1HG ARG 10 1HG ARG 10 -15.286 -11.363 8.772 70 2HG ARG 10 2HG ARG 10 -15.596 -13.078 8.960 71 1HD ARG 10 1HD ARG 10 -12.830 -12.180 9.497 72 2HD ARG 10 2HD ARG 10 -14.047 -11.680 10.654 73 HE ARG 10 HE ARG 10 -14.313 -14.472 10.083 74 1HH1 ARG 10 1HH2 ARG 10 -12.290 -12.224 11.856 75 2HH1 ARG 10 2HH2 ARG 10 -11.799 -13.425 13.031 76 1HH2 ARG 10 1HH1 ARG 10 -13.672 -16.000 11.604 77 2HH2 ARG 10 2HH1 ARG 10 -12.575 -15.545 12.890 78 H GLU 11 H GLU 11 -17.015 -11.869 7.239 79 HA GLU 11 HA GLU 11 -17.820 -11.106 4.547 80 1HB GLU 11 1HB GLU 11 -19.138 -11.344 6.970 81 2HB GLU 11 2HB GLU 11 -19.074 -9.616 6.689 82 1HG GLU 11 1HG GLU 11 -21.069 -10.357 5.634 83 2HG GLU 11 2HG GLU 11 -19.916 -10.109 4.337 84 H GLY 12 H GLY 12 -18.608 -8.526 4.737 85 1HA GLY 12 1HA GLY 12 -17.812 -6.325 5.150 86 2HA GLY 12 2HA GLY 12 -16.210 -6.966 5.457 87 H SER 13 H SER 13 -16.246 -4.871 3.890 88 HA SER 13 HA SER 13 -16.417 -5.703 1.089 89 1HB SER 13 1HB SER 13 -16.168 -3.145 2.517 90 2HB SER 13 2HB SER 13 -15.386 -3.231 0.952 91 HG SER 13 HG SER 13 -17.569 -2.534 0.804 92 H SER 14 H SER 14 -14.543 -7.131 2.658 93 HA SER 14 HA SER 14 -12.237 -6.873 1.004 94 1HB SER 14 1HB SER 14 -10.650 -6.469 2.938 95 2HB SER 14 2HB SER 14 -11.522 -5.081 2.320 96 HG SER 14 HG SER 14 -11.524 -5.167 4.614 97 H SER 15 H SER 15 -10.424 -8.351 1.865 98 HA SER 15 HA SER 15 -11.424 -10.943 2.072 99 1HB SER 15 1HB SER 15 -8.764 -10.061 3.156 100 2HB SER 15 2HB SER 15 -9.200 -11.655 2.572 101 HG SER 15 HG SER 15 -8.019 -10.445 1.020 102 H GLN 16 H GLN 16 -10.379 -12.359 4.078 103 HA GLN 16 HA GLN 16 -12.182 -12.292 6.099 104 1HB GLN 16 1HB GLN 16 -10.628 -14.087 5.941 105 2HB GLN 16 2HB GLN 16 -9.278 -13.018 6.267 106 1HG GLN 16 1HG GLN 16 -10.349 -12.535 8.506 107 2HG GLN 16 2HG GLN 16 -11.460 -13.846 8.166 108 1HE2 GLN 16 2HE2 GLN 16 -10.931 -15.478 9.445 109 2HE2 GLN 16 1HE2 GLN 16 -9.319 -16.128 9.642 110 H GLN 17 H GLN 17 -9.027 -10.648 6.239 111 HA GLN 17 HA GLN 17 -10.022 -8.296 7.405 112 1HB GLN 17 1HB GLN 17 -9.659 -10.454 9.272 113 2HB GLN 17 2HB GLN 17 -8.575 -9.130 9.648 114 1HG GLN 17 1HG GLN 17 -10.366 -7.587 9.843 115 2HG GLN 17 2HG GLN 17 -11.498 -8.697 9.096 116 1HE2 GLN 17 2HE2 GLN 17 -12.800 -9.822 10.399 117 2HE2 GLN 17 1HE2 GLN 17 -12.493 -10.157 12.088 118 H CYS 18 H CYS 18 -8.284 -9.059 5.330 119 HA CYS 18 HA CYS 18 -5.559 -8.808 6.141 120 1HB CYS 18 1HB CYS 18 -6.994 -9.104 3.692 121 2HB CYS 18 2HB CYS 18 -5.799 -7.832 3.541 122 H ARG 19 H ARG 19 -8.062 -6.515 5.017 123 HA ARG 19 HA ARG 19 -6.696 -4.190 4.697 124 1HB ARG 19 1HB ARG 19 -9.305 -4.798 5.037 125 2HB ARG 19 2HB ARG 19 -8.985 -3.937 6.530 126 1HG ARG 19 1HG ARG 19 -8.432 -1.962 5.423 127 2HG ARG 19 2HG ARG 19 -8.080 -2.790 3.919 128 1HD ARG 19 1HD ARG 19 -10.537 -3.348 3.769 129 2HD ARG 19 2HD ARG 19 -10.792 -2.270 5.128 130 HE ARG 19 HE ARG 19 -10.643 -0.484 3.686 131 1HH1 ARG 19 1HH2 ARG 19 -8.998 -3.221 2.227 132 2HH1 ARG 19 2HH2 ARG 19 -8.659 -2.370 0.736 133 1HH2 ARG 19 1HH1 ARG 19 -10.196 0.596 1.753 134 2HH2 ARG 19 2HH1 ARG 19 -9.333 -0.225 0.472 135 H GLN 20 H GLN 20 -7.217 -5.870 7.753 136 HA GLN 20 HA GLN 20 -6.375 -3.910 9.525 137 1HB GLN 20 1HB GLN 20 -7.220 -6.380 9.851 138 2HB GLN 20 2HB GLN 20 -5.502 -6.709 9.954 139 1HG GLN 20 1HG GLN 20 -6.012 -4.395 11.504 140 2HG GLN 20 2HG GLN 20 -7.217 -5.590 11.942 141 1HE2 GLN 20 2HE2 GLN 20 -3.765 -5.688 11.013 142 2HE2 GLN 20 1HE2 GLN 20 -3.235 -6.623 12.394 143 H GLU 21 H GLU 21 -4.256 -6.518 8.302 144 HA GLU 21 HA GLU 21 -1.921 -4.989 9.064 145 1HB GLU 21 1HB GLU 21 -1.704 -7.422 7.389 146 2HB GLU 21 2HB GLU 21 -0.720 -6.907 8.745 147 1HG GLU 21 1HG GLU 21 -1.832 -8.549 9.840 148 2HG GLU 21 2HG GLU 21 -3.077 -7.327 9.996 149 H VAL 22 H VAL 22 -3.748 -5.636 6.162 150 HA VAL 22 HA VAL 22 -1.884 -4.889 4.220 151 HB VAL 22 HB VAL 22 -4.831 -4.995 4.407 152 1HG1 VAL 22 1HG1 VAL 22 -4.494 -2.930 3.173 153 2HG1 VAL 22 2HG1 VAL 22 -3.367 -3.781 2.059 154 3HG1 VAL 22 3HG1 VAL 22 -5.107 -4.230 2.093 155 1HG2 VAL 22 1HG2 VAL 22 -2.819 -6.280 2.555 156 2HG2 VAL 22 2HG2 VAL 22 -3.612 -7.047 3.974 157 3HG2 VAL 22 3HG2 VAL 22 -4.592 -6.577 2.540 158 H GLN 23 H GLN 23 -3.818 -3.022 6.468 159 HA GLN 23 HA GLN 23 -3.339 -0.518 5.140 160 1HB GLN 23 1HB GLN 23 -4.468 0.467 6.912 161 2HB GLN 23 2HB GLN 23 -5.226 -1.100 6.717 162 1HG GLN 23 1HG GLN 23 -4.876 -1.450 8.867 163 2HG GLN 23 2HG GLN 23 -3.162 -1.531 8.509 164 1HE2 GLN 23 2HE2 GLN 23 -3.877 -0.828 10.988 165 2HE2 GLN 23 1HE2 GLN 23 -3.600 0.879 11.254 166 H ARG 24 H ARG 24 -1.255 -2.555 6.590 167 HA ARG 24 HA ARG 24 0.734 -0.482 6.997 168 1HB ARG 24 1HB ARG 24 1.332 -1.396 9.256 169 2HB ARG 24 2HB ARG 24 -0.155 -0.470 9.186 170 1HG ARG 24 1HG ARG 24 -1.496 -2.395 9.338 171 2HG ARG 24 2HG ARG 24 -0.170 -3.457 8.908 172 1HD ARG 24 1HD ARG 24 0.830 -2.353 11.147 173 2HD ARG 24 2HD ARG 24 -0.881 -2.291 11.519 174 HE ARG 24 HE ARG 24 -0.630 -4.845 10.675 175 1HH1 ARG 24 1HH2 ARG 24 1.278 -2.983 12.951 176 2HH1 ARG 24 2HH2 ARG 24 1.744 -4.392 13.878 177 1HH2 ARG 24 1HH1 ARG 24 -0.015 -6.641 11.874 178 2HH2 ARG 24 2HH1 ARG 24 1.017 -6.448 13.273 179 H LYS 25 H LYS 25 0.180 -2.830 5.220 180 HA LYS 25 HA LYS 25 2.776 -4.123 5.551 181 1HB LYS 25 1HB LYS 25 1.415 -5.642 6.773 182 2HB LYS 25 2HB LYS 25 0.206 -5.661 5.507 183 1HG LYS 25 1HG LYS 25 1.369 -7.108 4.243 184 2HG LYS 25 2HG LYS 25 2.906 -6.359 4.628 185 1HD LYS 25 1HD LYS 25 1.543 -7.885 6.775 186 2HD LYS 25 2HD LYS 25 2.290 -8.794 5.476 187 1HE LYS 25 1HE LYS 25 4.420 -8.059 6.005 188 2HE LYS 25 2HE LYS 25 3.835 -6.601 6.782 189 1HZ LYS 25 1HZ LYS 25 3.017 -7.943 8.572 190 2HZ LYS 25 2HZ LYS 25 3.570 -9.319 7.838 191 3HZ LYS 25 3HZ LYS 25 4.644 -8.177 8.372 192 H ASP 26 H ASP 26 0.150 -5.300 3.585 193 HA ASP 26 HA ASP 26 1.552 -5.327 1.188 194 1HB ASP 26 1HB ASP 26 -1.390 -4.862 1.572 195 2HB ASP 26 2HB ASP 26 -0.624 -5.332 0.069 196 H LEU 27 H LEU 27 0.911 -3.967 -0.804 197 HA LEU 27 HA LEU 27 1.825 -1.704 -1.255 198 1HB LEU 27 1HB LEU 27 -1.121 -2.016 -1.549 199 2HB LEU 27 2HB LEU 27 -0.162 -0.780 -2.340 200 HG LEU 27 HG LEU 27 -0.607 -2.459 -3.888 201 1HD1 LEU 27 1HD1 LEU 27 1.588 -1.510 -4.057 202 2HD1 LEU 27 2HD1 LEU 27 2.223 -2.750 -2.921 203 3HD1 LEU 27 3HD1 LEU 27 1.609 -3.241 -4.538 204 1HD2 LEU 27 1HD2 LEU 27 0.496 -4.463 -1.929 205 2HD2 LEU 27 2HD2 LEU 27 -1.219 -4.283 -2.439 206 3HD2 LEU 27 3HD2 LEU 27 0.023 -4.806 -3.629 207 H SER 28 H SER 28 2.641 -0.719 0.573 208 HA SER 28 HA SER 28 0.774 1.133 1.910 209 1HB SER 28 1HB SER 28 0.718 -0.560 3.531 210 2HB SER 28 2HB SER 28 2.434 -0.879 3.375 211 HG SER 28 HG SER 28 1.928 0.280 5.291 212 H SER 29 H SER 29 2.492 1.681 -0.140 213 HA SER 29 HA SER 29 4.021 3.795 0.962 214 1HB SER 29 1HB SER 29 5.483 1.877 1.632 215 2HB SER 29 2HB SER 29 5.693 1.528 -0.072 216 HG SER 29 HG SER 29 7.394 2.803 0.777 217 H CYS 30 H CYS 30 3.480 1.500 -1.673 218 HA CYS 30 HA CYS 30 4.613 2.937 -3.778 219 1HB CYS 30 1HB CYS 30 2.006 1.500 -3.993 220 2HB CYS 30 2HB CYS 30 3.257 1.676 -5.208 221 H GLU 31 H GLU 31 1.262 3.079 -2.549 222 HA GLU 31 HA GLU 31 0.633 5.356 -4.191 223 1HB GLU 31 1HB GLU 31 -0.766 3.553 -2.586 224 2HB GLU 31 2HB GLU 31 -1.041 5.138 -1.893 225 1HG GLU 31 1HG GLU 31 -2.696 5.166 -3.430 226 2HG GLU 31 2HG GLU 31 -1.397 5.747 -4.450 227 H ARG 32 H ARG 32 1.847 4.860 -0.925 228 HA ARG 32 HA ARG 32 1.457 7.486 0.047 229 1HB ARG 32 1HB ARG 32 2.194 5.378 1.313 230 2HB ARG 32 2HB ARG 32 3.809 5.782 0.766 231 1HG ARG 32 1HG ARG 32 3.735 6.866 2.816 232 2HG ARG 32 2HG ARG 32 3.241 8.148 1.730 233 1HD ARG 32 1HD ARG 32 1.775 8.030 3.702 234 2HD ARG 32 2HD ARG 32 0.892 7.687 2.227 235 HE ARG 32 HE ARG 32 1.818 5.235 3.294 236 1HH1 ARG 32 1HH2 ARG 32 -0.476 7.753 4.077 237 2HH1 ARG 32 2HH2 ARG 32 -1.537 6.674 4.954 238 1HH2 ARG 32 1HH1 ARG 32 0.459 3.851 4.411 239 2HH2 ARG 32 2HH1 ARG 32 -1.007 4.463 5.143 240 H TYR 33 H TYR 33 4.072 6.044 -1.839 241 HA TYR 33 HA TYR 33 6.023 7.977 -1.745 242 1HB TYR 33 1HB TYR 33 6.267 5.858 -2.861 243 2HB TYR 33 2HB TYR 33 4.998 6.268 -3.997 244 HD1 TYR 33 1HD TYR 33 5.691 6.812 -6.145 245 HD2 TYR 33 2HD TYR 33 8.217 7.750 -2.797 246 HE1 TYR 33 1HE TYR 33 7.393 7.746 -7.702 247 HE2 TYR 33 2HE TYR 33 9.881 8.718 -4.351 248 HH TYR 33 HH TYR 33 10.456 9.063 -6.472 249 H LEU 34 H LEU 34 3.149 7.800 -3.847 250 HA LEU 34 HA LEU 34 3.770 10.297 -5.138 251 1HB LEU 34 1HB LEU 34 2.038 9.834 -6.500 252 2HB LEU 34 2HB LEU 34 2.366 8.223 -5.896 253 HG LEU 34 HG LEU 34 0.565 8.952 -4.116 254 1HD1 LEU 34 1HD1 LEU 34 0.211 11.197 -4.954 255 2HD1 LEU 34 2HD1 LEU 34 -0.233 10.532 -6.564 256 3HD1 LEU 34 3HD1 LEU 34 -1.281 10.210 -5.139 257 1HD2 LEU 34 1HD2 LEU 34 -0.067 7.911 -6.870 258 2HD2 LEU 34 2HD2 LEU 34 0.458 6.948 -5.446 259 3HD2 LEU 34 3HD2 LEU 34 -1.135 7.779 -5.429 260 H ARG 35 H ARG 35 1.946 9.282 -2.333 261 HA ARG 35 HA ARG 35 0.529 11.712 -1.946 262 1HB ARG 35 1HB ARG 35 -0.260 9.772 -0.821 263 2HB ARG 35 2HB ARG 35 1.297 9.499 -0.067 264 1HG ARG 35 1HG ARG 35 -0.408 10.508 1.462 265 2HG ARG 35 2HG ARG 35 1.054 11.460 1.301 266 1HD ARG 35 1HD ARG 35 -0.137 12.816 -0.455 267 2HD ARG 35 2HD ARG 35 -1.605 11.962 -0.024 268 HE ARG 35 HE ARG 35 -0.825 12.883 2.384 269 1HH1 ARG 35 1HH2 ARG 35 -1.162 14.504 -0.716 270 2HH1 ARG 35 2HH2 ARG 35 -1.520 16.052 0.017 271 1HH2 ARG 35 1HH1 ARG 35 -1.278 14.886 3.288 272 2HH2 ARG 35 2HH1 ARG 35 -1.586 16.264 2.255 273 H GLN 36 H GLN 36 3.607 10.487 -0.687 274 HA GLN 36 HA GLN 36 4.148 12.923 0.751 275 1HB GLN 36 1HB GLN 36 5.171 10.257 0.702 276 2HB GLN 36 2HB GLN 36 6.495 11.389 0.513 277 1HG GLN 36 1HG GLN 36 6.328 11.248 2.824 278 2HG GLN 36 2HG GLN 36 5.338 12.652 2.484 279 1HE2 GLN 36 2HE2 GLN 36 3.085 12.536 2.649 280 2HE2 GLN 36 1HE2 GLN 36 2.278 11.204 3.446 281 H SER 37 H SER 37 6.805 13.345 0.346 282 HA SER 37 HA SER 37 6.740 14.755 -2.203 283 1HB SER 37 1HB SER 37 7.731 15.430 0.208 284 2HB SER 37 2HB SER 37 9.180 14.819 -0.565 285 HG SER 37 HG SER 37 8.857 17.063 -0.957 286 H SER 38 H SER 38 9.645 14.722 -2.486 287 HA SER 38 HA SER 38 10.123 11.950 -3.369 288 1HB SER 38 1HB SER 38 9.433 13.025 -5.358 289 2HB SER 38 2HB SER 38 10.395 14.446 -5.004 290 HG SER 38 HG SER 38 11.379 13.088 -6.568 291 H SER 39 H SER 39 11.702 11.328 -2.062 292 HA SER 39 HA SER 39 14.212 12.826 -2.201 293 1HB SER 39 1HB SER 39 14.512 12.660 0.263 294 2HB SER 39 2HB SER 39 13.263 13.783 -0.233 295 HG SER 39 HG SER 39 12.590 12.433 1.500 296 H ARG 40 H ARG 40 15.887 11.524 -0.723 297 HA ARG 40 HA ARG 40 15.824 8.804 -1.795 298 1HB ARG 40 1HB ARG 40 17.833 10.643 -1.397 299 2HB ARG 40 2HB ARG 40 18.074 9.501 -0.089 300 1HG ARG 40 1HG ARG 40 18.072 7.656 -1.699 301 2HG ARG 40 2HG ARG 40 17.825 8.795 -3.007 302 1HD ARG 40 1HD ARG 40 20.173 9.063 -1.170 303 2HD ARG 40 2HD ARG 40 20.225 7.966 -2.535 304 HE ARG 40 HE ARG 40 19.339 10.371 -3.592 305 1HH1 ARG 40 1HH2 ARG 40 22.180 9.335 -1.820 306 2HH1 ARG 40 2HH2 ARG 40 23.216 10.531 -2.567 307 1HH2 ARG 40 1HH1 ARG 40 20.684 11.891 -4.545 308 2HH2 ARG 40 2HH1 ARG 40 22.373 11.968 -4.100 309 H ARG 41 H ARG 41 17.221 7.350 -0.027 310 HA ARG 41 HA ARG 41 16.488 7.552 2.691 311 1HB ARG 41 1HB ARG 41 14.259 6.961 1.323 312 2HB ARG 41 2HB ARG 41 14.907 5.344 1.502 313 1HG ARG 41 1HG ARG 41 15.070 6.875 3.967 314 2HG ARG 41 2HG ARG 41 13.423 6.717 3.393 315 1HD ARG 41 1HD ARG 41 14.667 4.187 3.092 316 2HD ARG 41 2HD ARG 41 15.037 4.762 4.704 317 HE ARG 41 HE ARG 41 12.422 3.996 3.661 318 1HH1 ARG 41 1HH2 ARG 41 14.134 5.732 6.170 319 2HH1 ARG 41 2HH2 ARG 41 12.780 5.698 7.276 320 1HH2 ARG 41 1HH1 ARG 41 10.682 3.971 5.089 321 2HH2 ARG 41 2HH1 ARG 41 10.840 4.707 6.667 322 H SER 42 H SER 42 17.438 5.972 3.922 323 HA SER 42 HA SER 42 18.376 3.518 2.830 324 1HB SER 42 1HB SER 42 20.671 5.298 3.467 325 2HB SER 42 2HB SER 42 20.638 3.816 2.532 326 HG SER 42 HG SER 42 20.922 5.673 1.223 327 H THR 43 H THR 43 16.895 3.641 4.900 328 HA THR 43 HA THR 43 18.698 3.031 7.130 329 HB THR 43 HB THR 43 16.494 5.064 7.440 330 HG1 THR 43 1HG THR 43 18.334 6.453 7.655 331 1HG2 THR 43 1HG2 THR 43 17.062 3.805 9.543 332 2HG2 THR 43 2HG2 THR 43 18.778 4.282 9.295 333 3HG2 THR 43 3HG2 THR 43 17.532 5.540 9.606 334 H GLY 44 H GLY 44 16.640 1.824 5.178 335 1HA GLY 44 1HA GLY 44 14.664 0.726 7.026 336 2HA GLY 44 2HA GLY 44 14.798 0.401 5.310 337 H GLU 45 H GLU 45 15.173 -1.637 4.903 338 HA GLU 45 HA GLU 45 16.543 -3.295 6.887 339 1HB GLU 45 1HB GLU 45 15.889 -5.161 5.526 340 2HB GLU 45 2HB GLU 45 14.512 -4.098 5.738 341 1HG GLU 45 1HG GLU 45 15.085 -3.084 3.500 342 2HG GLU 45 2HG GLU 45 16.246 -4.380 3.294 343 H GLU 46 H GLU 46 16.995 -2.331 3.486 344 HA GLU 46 HA GLU 46 19.871 -2.594 3.785 345 1HB GLU 46 1HB GLU 46 18.840 -4.892 3.062 346 2HB GLU 46 2HB GLU 46 18.743 -4.115 1.496 347 1HG GLU 46 1HG GLU 46 21.118 -3.657 1.515 348 2HG GLU 46 2HG GLU 46 21.258 -4.245 3.160 349 H VAL 47 H VAL 47 20.686 -0.853 2.940 350 HA VAL 47 HA VAL 47 19.747 0.082 0.344 351 HB VAL 47 HB VAL 47 19.699 2.025 2.595 352 1HG1 VAL 47 1HG1 VAL 47 19.932 2.943 0.346 353 2HG1 VAL 47 2HG1 VAL 47 18.481 2.021 -0.179 354 3HG1 VAL 47 3HG1 VAL 47 18.318 3.340 1.031 355 1HG2 VAL 47 1HG2 VAL 47 17.312 0.493 1.515 356 2HG2 VAL 47 2HG2 VAL 47 18.010 0.337 3.165 357 3HG2 VAL 47 3HG2 VAL 47 17.242 1.881 2.656 358 H LEU 48 H LEU 48 21.982 -0.981 0.366 359 HA LEU 48 HA LEU 48 23.884 1.175 0.121 360 1HB LEU 48 1HB LEU 48 25.406 0.640 1.745 361 2HB LEU 48 2HB LEU 48 23.872 0.433 2.566 362 HG LEU 48 HG LEU 48 24.437 -2.067 1.534 363 1HD1 LEU 48 1HD1 LEU 48 26.734 -1.395 1.015 364 2HD1 LEU 48 2HD1 LEU 48 26.956 -0.855 2.715 365 3HD1 LEU 48 3HD1 LEU 48 26.706 -2.598 2.350 366 1HD2 LEU 48 1HD2 LEU 48 24.920 -0.977 4.320 367 2HD2 LEU 48 2HD2 LEU 48 23.361 -1.602 3.675 368 3HD2 LEU 48 3HD2 LEU 48 24.756 -2.716 3.890 369 H ARG 49 H ARG 49 22.524 -0.703 -1.581 370 HA ARG 49 HA ARG 49 24.915 -1.965 -2.777 371 1HB ARG 49 1HB ARG 49 23.341 -3.568 -1.476 372 2HB ARG 49 2HB ARG 49 22.272 -3.356 -2.848 373 1HG ARG 49 1HG ARG 49 23.581 -4.601 -4.212 374 2HG ARG 49 2HG ARG 49 25.058 -3.904 -3.580 375 1HD ARG 49 1HD ARG 49 24.420 -5.361 -1.459 376 2HD ARG 49 2HD ARG 49 23.557 -6.303 -2.659 377 HE ARG 49 HE ARG 49 26.442 -6.111 -2.327 378 1HH1 ARG 49 1HH2 ARG 49 23.871 -6.799 -4.617 379 2HH1 ARG 49 2HH2 ARG 49 24.909 -7.751 -5.654 380 1HH2 ARG 49 1HH1 ARG 49 27.750 -7.341 -3.678 381 2HH2 ARG 49 2HH1 ARG 49 27.082 -8.056 -5.129 382 H MET 50 H MET 50 24.680 -2.479 -5.041 383 HA MET 50 HA MET 50 23.423 -0.325 -6.451 384 1HB MET 50 1HB MET 50 25.177 -2.593 -7.052 385 2HB MET 50 2HB MET 50 24.131 -2.102 -8.369 386 1HG MET 50 1HG MET 50 24.957 0.306 -7.709 387 2HG MET 50 2HG MET 50 26.304 -0.575 -7.017 388 1HE MET 50 1HE MET 50 27.071 1.453 -9.102 389 2HE MET 50 2HE MET 50 28.218 0.226 -8.460 390 3HE MET 50 3HE MET 50 28.094 0.502 -10.233 391 HA PRO 51 HA PRO 51 19.657 -2.081 -7.683 392 1HB PRO 51 1HB PRO 51 19.409 -1.291 -10.313 393 2HB PRO 51 2HB PRO 51 19.074 -0.276 -8.925 394 1HG PRO 51 1HG PRO 51 21.363 -0.193 -10.763 395 2HG PRO 51 2HG PRO 51 20.792 1.042 -9.659 396 1HD PRO 51 1HD PRO 51 23.019 -0.690 -9.295 397 2HD PRO 51 2HD PRO 51 22.379 0.467 -8.145 398 H GLY 52 H GLY 52 19.008 -4.076 -8.094 399 1HA GLY 52 1HA GLY 52 19.722 -5.504 -10.470 400 2HA GLY 52 2HA GLY 52 20.648 -6.077 -9.097 401 H ASP 53 H ASP 53 19.753 -7.396 -7.628 402 HA ASP 53 HA ASP 53 17.439 -8.853 -8.241 403 1HB ASP 53 1HB ASP 53 19.382 -8.969 -6.299 404 2HB ASP 53 2HB ASP 53 17.936 -8.597 -5.383 405 H GLU 54 H GLU 54 17.911 -6.103 -6.058 406 HA GLU 54 HA GLU 54 15.342 -5.973 -4.968 407 1HB GLU 54 1HB GLU 54 17.609 -4.132 -5.247 408 2HB GLU 54 2HB GLU 54 16.049 -3.358 -5.057 409 1HG GLU 54 1HG GLU 54 16.604 -3.635 -2.845 410 2HG GLU 54 2HG GLU 54 15.788 -5.159 -3.130 411 H ASN 55 H ASN 55 14.127 -3.616 -5.452 412 HA ASN 55 HA ASN 55 12.425 -3.961 -7.512 413 1HB ASN 55 1HB ASN 55 12.138 -2.108 -6.036 414 2HB ASN 55 2HB ASN 55 13.636 -1.378 -6.575 415 1HD2 ASN 55 2HD2 ASN 55 13.607 0.012 -8.224 416 2HD2 ASN 55 1HD2 ASN 55 12.224 0.319 -9.250 417 H GLN 56 H GLN 56 12.951 -4.698 -9.497 418 HA GLN 56 HA GLN 56 15.371 -4.052 -10.816 419 1HB GLN 56 1HB GLN 56 13.378 -5.892 -11.183 420 2HB GLN 56 2HB GLN 56 13.148 -4.817 -12.548 421 1HG GLN 56 1HG GLN 56 15.947 -5.510 -12.021 422 2HG GLN 56 2HG GLN 56 14.946 -6.874 -12.474 423 1HE2 GLN 56 2HE2 GLN 56 14.977 -7.316 -14.560 424 2HE2 GLN 56 1HE2 GLN 56 15.115 -6.147 -15.855 425 H GLN 57 H GLN 57 15.904 -2.057 -11.378 426 HA GLN 57 HA GLN 57 14.390 -0.658 -13.337 427 1HB GLN 57 1HB GLN 57 13.191 -0.232 -11.032 428 2HB GLN 57 2HB GLN 57 14.501 0.910 -10.810 429 1HG GLN 57 1HG GLN 57 12.841 2.204 -11.821 430 2HG GLN 57 2HG GLN 57 13.871 1.757 -13.166 431 1HE2 GLN 57 2HE2 GLN 57 13.016 0.750 -14.874 432 2HE2 GLN 57 1HE2 GLN 57 11.393 0.103 -14.947 433 H GLN 58 H GLN 58 15.553 0.968 -14.295 434 HA GLN 58 HA GLN 58 18.264 0.851 -14.369 435 1HB GLN 58 1HB GLN 58 16.295 2.899 -15.050 436 2HB GLN 58 2HB GLN 58 17.912 3.517 -14.776 437 1HG GLN 58 1HG GLN 58 18.612 1.504 -16.302 438 2HG GLN 58 2HG GLN 58 16.951 1.602 -16.849 439 1HE2 GLN 58 2HE2 GLN 58 17.539 2.208 -18.933 440 2HE2 GLN 58 1HE2 GLN 58 18.147 3.807 -19.298 441 H GLU 59 H GLU 59 16.336 2.746 -12.097 442 HA GLU 59 HA GLU 59 17.992 2.595 -9.938 443 1HB GLU 59 1HB GLU 59 19.106 4.899 -10.013 444 2HB GLU 59 2HB GLU 59 19.855 3.594 -10.910 445 1HG GLU 59 1HG GLU 59 19.653 4.741 -12.825 446 2HG GLU 59 2HG GLU 59 17.926 4.909 -12.581 447 H SER 60 H SER 60 16.491 2.919 -8.484 448 HA SER 60 HA SER 60 15.283 5.489 -8.155 449 1HB SER 60 1HB SER 60 12.911 4.671 -8.374 450 2HB SER 60 2HB SER 60 13.768 4.916 -9.883 451 HG SER 60 HG SER 60 12.611 2.934 -9.843 452 H GLN 61 H GLN 61 16.489 5.009 -6.209 453 HA GLN 61 HA GLN 61 15.838 2.848 -4.507 454 1HB GLN 61 1HB GLN 61 16.913 4.104 -2.755 455 2HB GLN 61 2HB GLN 61 17.819 4.300 -4.241 456 1HG GLN 61 1HG GLN 61 15.804 6.339 -4.035 457 2HG GLN 61 2HG GLN 61 16.802 6.329 -2.595 458 1HE2 GLN 61 2HE2 GLN 61 16.481 7.870 -5.366 459 2HE2 GLN 61 1HE2 GLN 61 18.151 8.222 -5.753 460 H GLN 62 H GLN 62 13.992 5.570 -5.408 461 HA GLN 62 HA GLN 62 12.446 5.862 -3.026 462 1HB GLN 62 1HB GLN 62 12.386 6.865 -5.785 463 2HB GLN 62 2HB GLN 62 10.838 6.804 -4.968 464 1HG GLN 62 1HG GLN 62 11.535 8.259 -3.278 465 2HG GLN 62 2HG GLN 62 13.232 7.979 -3.612 466 1HE2 GLN 62 2HE2 GLN 62 11.043 10.277 -3.682 467 2HE2 GLN 62 1HE2 GLN 62 11.526 11.189 -5.093 468 H LEU 63 H LEU 63 11.533 4.534 -6.218 469 HA LEU 63 HA LEU 63 9.167 3.295 -5.306 470 1HB LEU 63 1HB LEU 63 10.863 3.179 -7.701 471 2HB LEU 63 2HB LEU 63 9.864 1.767 -7.412 472 HG LEU 63 HG LEU 63 7.890 3.015 -7.541 473 1HD1 LEU 63 1HD1 LEU 63 8.545 4.969 -6.237 474 2HD1 LEU 63 2HD1 LEU 63 9.575 5.527 -7.601 475 3HD1 LEU 63 3HD1 LEU 63 7.789 5.454 -7.794 476 1HD2 LEU 63 1HD2 LEU 63 9.783 4.020 -9.669 477 2HD2 LEU 63 2HD2 LEU 63 8.866 2.474 -9.697 478 3HD2 LEU 63 3HD2 LEU 63 7.988 4.042 -9.768 479 H GLN 64 H GLN 64 12.526 2.334 -5.133 480 HA GLN 64 HA GLN 64 12.316 -0.392 -4.736 481 1HB GLN 64 1HB GLN 64 14.473 0.457 -4.783 482 2HB GLN 64 2HB GLN 64 14.121 1.678 -3.576 483 1HG GLN 64 1HG GLN 64 13.984 -0.005 -1.848 484 2HG GLN 64 2HG GLN 64 14.181 -1.283 -3.031 485 1HE2 GLN 64 2HE2 GLN 64 15.775 -0.925 -0.730 486 2HE2 GLN 64 1HE2 GLN 64 17.402 -0.535 -1.238 487 H GLN 65 H GLN 65 11.342 2.214 -2.608 488 HA GLN 65 HA GLN 65 11.012 0.607 -0.284 489 1HB GLN 65 1HB GLN 65 10.934 3.279 -0.793 490 2HB GLN 65 2HB GLN 65 9.236 2.913 -0.566 491 1HG GLN 65 1HG GLN 65 9.685 3.100 1.640 492 2HG GLN 65 2HG GLN 65 10.401 1.509 1.478 493 1HE2 GLN 65 2HE2 GLN 65 11.009 4.965 1.598 494 2HE2 GLN 65 1HE2 GLN 65 12.712 4.858 1.983 495 H CYS 66 H CYS 66 8.959 1.336 -3.056 496 HA CYS 66 HA CYS 66 6.605 0.147 -1.955 497 1HB CYS 66 1HB CYS 66 6.227 1.681 -3.658 498 2HB CYS 66 2HB CYS 66 7.458 0.973 -4.684 499 H CYS 67 H CYS 67 9.112 -0.969 -4.286 500 HA CYS 67 HA CYS 67 8.035 -3.530 -4.675 501 1HB CYS 67 1HB CYS 67 10.140 -2.227 -5.646 502 2HB CYS 67 2HB CYS 67 10.957 -3.289 -4.517 503 H ASN 68 H ASN 68 10.489 -2.441 -2.326 504 HA ASN 68 HA ASN 68 10.703 -4.899 -0.937 505 1HB ASN 68 1HB ASN 68 12.288 -3.025 -0.663 506 2HB ASN 68 2HB ASN 68 11.032 -2.100 0.135 507 1HD2 ASN 68 2HD2 ASN 68 12.472 -1.938 1.928 508 2HD2 ASN 68 1HD2 ASN 68 12.575 -3.246 3.085 509 H GLN 69 H GLN 69 8.358 -2.313 -0.838 510 HA GLN 69 HA GLN 69 7.154 -3.095 1.648 511 1HB GLN 69 1HB GLN 69 6.504 -1.191 -0.519 512 2HB GLN 69 2HB GLN 69 5.210 -1.693 0.549 513 1HG GLN 69 1HG GLN 69 7.728 -0.974 1.884 514 2HG GLN 69 2HG GLN 69 6.906 0.350 1.083 515 1HE2 GLN 69 2HE2 GLN 69 7.346 -0.616 3.991 516 2HE2 GLN 69 1HE2 GLN 69 5.747 -0.471 4.684 517 H VAL 70 H VAL 70 6.277 -3.553 -1.759 518 HA VAL 70 HA VAL 70 3.983 -5.135 -1.259 519 HB VAL 70 HB VAL 70 5.693 -5.215 -3.712 520 1HG1 VAL 70 1HG1 VAL 70 3.909 -6.895 -3.632 521 2HG1 VAL 70 2HG1 VAL 70 2.714 -5.596 -3.294 522 3HG1 VAL 70 3HG1 VAL 70 3.567 -5.644 -4.876 523 1HG2 VAL 70 1HG2 VAL 70 3.534 -3.212 -2.992 524 2HG2 VAL 70 2HG2 VAL 70 5.293 -2.868 -3.139 525 3HG2 VAL 70 3HG2 VAL 70 4.348 -3.349 -4.590 526 H LYS 71 H LYS 71 7.307 -5.746 -0.900 527 HA LYS 71 HA LYS 71 7.239 -8.566 -1.381 528 1HB LYS 71 1HB LYS 71 9.239 -6.944 -1.314 529 2HB LYS 71 2HB LYS 71 9.195 -7.209 0.417 530 1HG LYS 71 1HG LYS 71 9.386 -9.628 0.057 531 2HG LYS 71 2HG LYS 71 9.412 -9.372 -1.676 532 1HD LYS 71 1HD LYS 71 11.410 -7.698 -0.751 533 2HD LYS 71 2HD LYS 71 11.568 -9.118 0.263 534 1HE LYS 71 1HE LYS 71 11.426 -9.218 -2.748 535 2HE LYS 71 2HE LYS 71 12.927 -9.209 -1.843 536 1HZ LYS 71 1HZ LYS 71 12.227 -11.213 -0.756 537 2HZ LYS 71 2HZ LYS 71 10.808 -11.222 -1.610 538 3HZ LYS 71 3HZ LYS 71 12.251 -11.426 -2.398 539 H GLN 72 H GLN 72 6.050 -6.568 1.111 540 HA GLN 72 HA GLN 72 5.942 -8.813 2.999 541 1HB GLN 72 1HB GLN 72 5.710 -5.867 3.243 542 2HB GLN 72 2HB GLN 72 4.905 -6.874 4.429 543 1HG GLN 72 1HG GLN 72 7.460 -7.977 4.127 544 2HG GLN 72 2HG GLN 72 7.705 -6.244 4.181 545 1HE2 GLN 72 2HE2 GLN 72 6.772 -9.092 5.928 546 2HE2 GLN 72 1HE2 GLN 72 6.552 -8.344 7.494 547 H VAL 73 H VAL 73 4.253 -8.040 0.413 548 HA VAL 73 HA VAL 73 1.589 -7.899 1.448 549 HB VAL 73 HB VAL 73 2.711 -8.504 -1.249 550 1HG1 VAL 73 1HG1 VAL 73 0.549 -9.605 -1.075 551 2HG1 VAL 73 2HG1 VAL 73 -0.179 -8.070 -0.487 552 3HG1 VAL 73 3HG1 VAL 73 0.465 -8.177 -2.163 553 1HG2 VAL 73 1HG2 VAL 73 1.355 -6.050 -0.106 554 2HG2 VAL 73 2HG2 VAL 73 3.107 -6.229 -0.469 555 3HG2 VAL 73 3HG2 VAL 73 1.907 -6.244 -1.807 556 H ARG 74 H ARG 74 0.048 -9.450 1.659 557 HA ARG 74 HA ARG 74 0.841 -11.976 2.559 558 1HB ARG 74 1HB ARG 74 -1.775 -10.860 1.671 559 2HB ARG 74 2HB ARG 74 -1.632 -12.556 2.088 560 1HG ARG 74 1HG ARG 74 -2.340 -10.920 3.938 561 2HG ARG 74 2HG ARG 74 -1.090 -12.089 4.311 562 1HD ARG 74 1HD ARG 74 0.617 -10.356 3.854 563 2HD ARG 74 2HD ARG 74 -0.670 -9.196 3.594 564 HE ARG 74 HE ARG 74 -1.029 -9.062 5.880 565 1HH1 ARG 74 1HH2 ARG 74 1.221 -11.664 5.148 566 2HH1 ARG 74 2HH2 ARG 74 1.667 -11.882 6.827 567 1HH2 ARG 74 1HH1 ARG 74 -0.435 -9.381 8.025 568 2HH2 ARG 74 2HH1 ARG 74 0.744 -10.608 8.430 569 H ASP 75 H ASP 75 -0.858 -11.191 -0.457 570 HA ASP 75 HA ASP 75 0.589 -12.493 -2.320 571 1HB ASP 75 1HB ASP 75 -0.615 -14.763 -2.445 572 2HB ASP 75 2HB ASP 75 0.742 -14.590 -1.350 573 H GLU 76 H GLU 76 -2.689 -12.805 -1.014 574 HA GLU 76 HA GLU 76 -3.781 -12.109 -3.679 575 1HB GLU 76 1HB GLU 76 -5.757 -13.244 -3.113 576 2HB GLU 76 2HB GLU 76 -4.413 -14.317 -2.776 577 1HG GLU 76 1HG GLU 76 -4.748 -13.132 -0.376 578 2HG GLU 76 2HG GLU 76 -6.395 -13.158 -0.976 579 H CYS 77 H CYS 77 -2.958 -10.769 -0.859 580 HA CYS 77 HA CYS 77 -5.340 -9.063 -0.680 581 1HB CYS 77 1HB CYS 77 -2.956 -9.347 1.107 582 2HB CYS 77 2HB CYS 77 -4.248 -8.189 1.353 583 H GLN 78 H GLN 78 -2.580 -9.258 -2.465 584 HA GLN 78 HA GLN 78 -1.526 -6.644 -2.301 585 1HB GLN 78 1HB GLN 78 -0.612 -7.160 -4.533 586 2HB GLN 78 2HB GLN 78 -0.317 -8.425 -3.359 587 1HG GLN 78 1HG GLN 78 -1.528 -9.927 -4.491 588 2HG GLN 78 2HG GLN 78 -2.778 -8.766 -4.885 589 1HE2 GLN 78 2HE2 GLN 78 0.714 -8.976 -5.592 590 2HE2 GLN 78 1HE2 GLN 78 0.547 -8.790 -7.324 591 H CYS 79 H CYS 79 -4.313 -8.001 -3.976 592 HA CYS 79 HA CYS 79 -4.716 -5.744 -5.685 593 1HB CYS 79 1HB CYS 79 -5.728 -8.285 -5.525 594 2HB CYS 79 2HB CYS 79 -7.079 -7.281 -5.036 595 H GLU 80 H GLU 80 -6.859 -6.953 -3.092 596 HA GLU 80 HA GLU 80 -8.279 -4.641 -2.647 597 1HB GLU 80 1HB GLU 80 -8.520 -6.950 -1.554 598 2HB GLU 80 2HB GLU 80 -7.380 -6.358 -0.362 599 1HG GLU 80 1HG GLU 80 -9.389 -5.779 0.631 600 2HG GLU 80 2HG GLU 80 -9.017 -4.309 -0.248 601 H ALA 81 H ALA 81 -4.995 -5.352 -1.668 602 HA ALA 81 HA ALA 81 -4.586 -3.316 0.195 603 1HB ALA 81 1HB ALA 81 -2.994 -5.102 -0.208 604 2HB ALA 81 2HB ALA 81 -2.692 -4.457 -1.859 605 3HB ALA 81 3HB ALA 81 -2.219 -3.494 -0.417 606 H ILE 82 H ILE 82 -4.215 -3.220 -3.350 607 HA ILE 82 HA ILE 82 -3.569 -0.480 -3.485 608 HB ILE 82 HB ILE 82 -4.736 -2.384 -5.452 609 1HG1 ILE 82 1HG1 ILE 82 -2.420 -2.743 -4.703 610 2HG1 ILE 82 2HG1 ILE 82 -2.554 -2.405 -6.417 611 1HG2 ILE 82 1HG2 ILE 82 -5.543 -0.173 -6.054 612 2HG2 ILE 82 2HG2 ILE 82 -3.866 0.468 -5.950 613 3HG2 ILE 82 3HG2 ILE 82 -4.292 -0.735 -7.216 614 1HD1 ILE 82 1HD1 ILE 82 -1.907 -0.050 -6.024 615 2HD1 ILE 82 2HD1 ILE 82 -1.769 -0.398 -4.266 616 3HD1 ILE 82 3HD1 ILE 82 -0.647 -1.186 -5.429 617 H LYS 83 H LYS 83 -6.697 -2.189 -3.438 618 HA LYS 83 HA LYS 83 -8.291 0.058 -4.009 619 1HB LYS 83 1HB LYS 83 -8.644 -2.615 -2.968 620 2HB LYS 83 2HB LYS 83 -9.767 -1.477 -2.250 621 1HG LYS 83 1HG LYS 83 -10.674 -2.498 -4.309 622 2HG LYS 83 2HG LYS 83 -10.501 -0.761 -4.458 623 1HD LYS 83 1HD LYS 83 -8.140 -1.427 -5.451 624 2HD LYS 83 2HD LYS 83 -8.964 -2.934 -5.796 625 1HE LYS 83 1HE LYS 83 -10.130 -0.281 -6.587 626 2HE LYS 83 2HE LYS 83 -9.007 -1.141 -7.623 627 1HZ LYS 83 1HZ LYS 83 -10.484 -3.012 -7.590 628 2HZ LYS 83 2HZ LYS 83 -11.545 -2.199 -6.612 629 3HZ LYS 83 3HZ LYS 83 -11.269 -1.667 -8.155 630 H TYR 84 H TYR 84 -6.351 -0.602 -1.303 631 HA TYR 84 HA TYR 84 -7.731 1.344 0.402 632 1HB TYR 84 1HB TYR 84 -7.086 -0.809 1.296 633 2HB TYR 84 2HB TYR 84 -5.419 -0.508 0.844 634 HD1 TYR 84 1HD TYR 84 -3.929 0.612 2.305 635 HD2 TYR 84 2HD TYR 84 -8.154 0.594 3.080 636 HE1 TYR 84 1HE TYR 84 -3.534 1.766 4.479 637 HE2 TYR 84 2HE TYR 84 -7.763 1.669 5.286 638 HH TYR 84 HH TYR 84 -6.286 2.541 6.632 639 H ILE 85 H ILE 85 -6.321 2.202 -2.053 640 HA ILE 85 HA ILE 85 -4.749 4.305 -0.954 641 HB ILE 85 HB ILE 85 -2.800 3.187 -2.559 642 1HG1 ILE 85 1HG1 ILE 85 -3.393 1.179 -0.458 643 2HG1 ILE 85 2HG1 ILE 85 -4.026 1.014 -2.084 644 1HG2 ILE 85 1HG2 ILE 85 -2.401 4.700 -0.707 645 2HG2 ILE 85 2HG2 ILE 85 -2.944 3.439 0.455 646 3HG2 ILE 85 3HG2 ILE 85 -1.439 3.196 -0.499 647 1HD1 ILE 85 1HD1 ILE 85 -1.764 1.094 -2.997 648 2HD1 ILE 85 2HD1 ILE 85 -1.114 1.263 -1.329 649 3HD1 ILE 85 3HD1 ILE 85 -1.961 -0.247 -1.816 650 H ALA 86 H ALA 86 -5.567 2.317 -3.755 651 HA ALA 86 HA ALA 86 -5.151 4.437 -5.644 652 1HB ALA 86 1HB ALA 86 -4.877 2.089 -6.275 653 2HB ALA 86 2HB ALA 86 -6.600 1.780 -5.861 654 3HB ALA 86 3HB ALA 86 -6.186 2.858 -7.239 655 H GLU 87 H GLU 87 -7.184 4.302 -3.190 656 HA GLU 87 HA GLU 87 -9.019 6.149 -4.407 657 1HB GLU 87 1HB GLU 87 -9.805 3.694 -4.875 658 2HB GLU 87 2HB GLU 87 -10.340 3.772 -3.208 659 1HG GLU 87 1HG GLU 87 -12.219 4.640 -4.161 660 2HG GLU 87 2HG GLU 87 -11.293 6.126 -4.088 661 H ASP 88 H ASP 88 -8.227 4.043 -1.670 662 HA ASP 88 HA ASP 88 -9.650 5.528 0.308 663 1HB ASP 88 1HB ASP 88 -7.703 3.382 0.237 664 2HB ASP 88 2HB ASP 88 -7.418 4.487 1.567 665 H GLN 89 H GLN 89 -6.465 5.804 -1.180 666 HA GLN 89 HA GLN 89 -5.385 7.664 0.663 667 1HB GLN 89 1HB GLN 89 -3.599 7.820 -0.738 668 2HB GLN 89 2HB GLN 89 -4.259 6.279 -1.247 669 1HG GLN 89 1HG GLN 89 -5.469 7.445 -3.074 670 2HG GLN 89 2HG GLN 89 -4.693 8.941 -2.595 671 1HE2 GLN 89 2HE2 GLN 89 -2.172 8.302 -2.060 672 2HE2 GLN 89 1HE2 GLN 89 -1.372 7.679 -3.485 673 H ILE 90 H ILE 90 -7.241 8.052 -2.361 674 HA ILE 90 HA ILE 90 -7.019 10.782 -2.680 675 HB ILE 90 HB ILE 90 -9.261 8.907 -3.231 676 1HG1 ILE 90 1HG1 ILE 90 -7.662 10.230 -5.342 677 2HG1 ILE 90 2HG1 ILE 90 -6.898 8.954 -4.417 678 1HG2 ILE 90 1HG2 ILE 90 -10.243 11.106 -2.928 679 2HG2 ILE 90 2HG2 ILE 90 -9.034 11.806 -4.061 680 3HG2 ILE 90 3HG2 ILE 90 -10.261 10.639 -4.664 681 1HD1 ILE 90 1HD1 ILE 90 -8.754 7.413 -4.966 682 2HD1 ILE 90 2HD1 ILE 90 -9.538 8.722 -5.916 683 3HD1 ILE 90 3HD1 ILE 90 -7.963 8.042 -6.453 684 H GLN 91 H GLN 91 -8.976 8.953 -0.411 685 HA GLN 91 HA GLN 91 -10.123 11.425 0.656 686 1HB GLN 91 1HB GLN 91 -10.544 8.517 1.210 687 2HB GLN 91 2HB GLN 91 -11.220 9.761 2.242 688 1HG GLN 91 1HG GLN 91 -11.748 10.426 -0.489 689 2HG GLN 91 2HG GLN 91 -12.262 8.777 -0.195 690 1HE2 GLN 91 2HE2 GLN 91 -14.281 8.550 0.466 691 2HE2 GLN 91 1HE2 GLN 91 -15.196 9.726 1.382 692 H GLN 92 H GLN 92 -7.568 9.172 1.337 693 HA GLN 92 HA GLN 92 -7.211 9.912 4.074 694 1HB GLN 92 1HB GLN 92 -6.423 7.781 2.832 695 2HB GLN 92 2HB GLN 92 -5.047 8.762 2.370 696 1HG GLN 92 1HG GLN 92 -4.155 8.673 4.433 697 2HG GLN 92 2HG GLN 92 -5.699 8.981 5.202 698 1HE2 GLN 92 2HE2 GLN 92 -6.982 7.302 5.893 699 2HE2 GLN 92 1HE2 GLN 92 -6.431 5.643 5.930 700 H GLY 93 H GLY 93 -5.237 10.587 1.173 701 1HA GLY 93 1HA GLY 93 -3.797 12.710 2.453 702 2HA GLY 93 2HA GLY 93 -3.732 12.249 0.764 703 H GLN 94 H GLN 94 -3.556 14.711 0.794 704 HA GLN 94 HA GLN 94 -6.152 16.036 0.983 705 1HB GLN 94 1HB GLN 94 -3.365 16.877 0.929 706 2HB GLN 94 2HB GLN 94 -4.419 17.893 -0.032 707 1HG GLN 94 1HG GLN 94 -5.769 18.435 1.811 708 2HG GLN 94 2HG GLN 94 -5.149 17.102 2.764 709 1HE2 GLN 94 2HE2 GLN 94 -4.986 18.970 4.321 710 2HE2 GLN 94 1HE2 GLN 94 -3.455 19.815 4.352 711 H LEU 95 H LEU 95 -6.365 14.067 -0.862 712 HA LEU 95 HA LEU 95 -5.843 15.221 -3.482 713 1HB LEU 95 1HB LEU 95 -7.318 12.718 -2.800 714 2HB LEU 95 2HB LEU 95 -6.644 13.167 -4.354 715 HG LEU 95 HG LEU 95 -5.131 11.650 -3.605 716 1HD1 LEU 95 1HD1 LEU 95 -3.931 13.678 -4.212 717 2HD1 LEU 95 2HD1 LEU 95 -4.055 14.260 -2.516 718 3HD1 LEU 95 3HD1 LEU 95 -3.076 12.802 -2.895 719 1HD2 LEU 95 1HD2 LEU 95 -5.337 12.789 -0.830 720 2HD2 LEU 95 2HD2 LEU 95 -6.057 11.249 -1.416 721 3HD2 LEU 95 3HD2 LEU 95 -4.270 11.434 -1.339 722 H HIS 96 H HIS 96 -8.031 15.846 -1.157 723 HA HIS 96 HA HIS 96 -10.474 15.909 -2.586 724 1HB HIS 96 1HB HIS 96 -9.451 17.232 -0.128 725 2HB HIS 96 2HB HIS 96 -11.014 17.669 -0.787 726 HD1 HIS 96 1HD HIS 96 -12.958 16.288 0.035 727 HD2 HIS 96 2HD HIS 96 -9.234 14.337 0.383 728 HE1 HIS 96 1HE HIS 96 -13.413 14.063 1.240 729 HE2 HIS 96 2HE HIS 96 -11.138 12.881 1.420 730 H GLY 97 H GLY 97 -11.637 18.155 -2.777 731 1HA GLY 97 1HA GLY 97 -11.664 20.296 -3.704 732 2HA GLY 97 2HA GLY 97 -9.923 20.239 -3.892 733 H GLU 98 H GLU 98 -9.042 18.878 -5.617 734 HA GLU 98 HA GLU 98 -10.655 17.786 -7.666 735 1HB GLU 98 1HB GLU 98 -11.251 20.183 -8.006 736 2HB GLU 98 2HB GLU 98 -9.569 20.494 -8.387 737 1HG GLU 98 1HG GLU 98 -9.650 19.126 -10.321 738 2HG GLU 98 2HG GLU 98 -11.176 18.413 -9.843 739 H GLU 99 H GLU 99 -8.558 16.792 -6.363 740 HA GLU 99 HA GLU 99 -6.531 16.630 -8.479 741 1HB GLU 99 1HB GLU 99 -4.762 16.642 -6.610 742 2HB GLU 99 2HB GLU 99 -5.389 18.173 -7.186 743 1HG GLU 99 1HG GLU 99 -6.951 18.238 -5.300 744 2HG GLU 99 2HG GLU 99 -6.309 16.715 -4.720 745 H SER 100 H SER 100 -8.709 14.933 -7.630 746 HA SER 100 HA SER 100 -7.433 12.719 -6.210 747 1HB SER 100 1HB SER 100 -9.578 12.620 -5.565 748 2HB SER 100 2HB SER 100 -10.140 13.492 -6.978 749 HG SER 100 HG SER 100 -10.893 11.334 -6.924 750 H GLU 101 H GLU 101 -8.650 13.506 -9.445 751 HA GLU 101 HA GLU 101 -8.172 10.935 -10.570 752 1HB GLU 101 1HB GLU 101 -9.223 13.369 -11.453 753 2HB GLU 101 2HB GLU 101 -7.830 13.078 -12.475 754 1HG GLU 101 1HG GLU 101 -9.520 11.956 -13.621 755 2HG GLU 101 2HG GLU 101 -8.796 10.669 -12.677 756 H ARG 102 H ARG 102 -6.133 13.714 -9.918 757 HA ARG 102 HA ARG 102 -3.946 12.901 -11.570 758 1HB ARG 102 1HB ARG 102 -2.691 14.574 -10.430 759 2HB ARG 102 2HB ARG 102 -4.313 15.198 -10.655 760 1HG ARG 102 1HG ARG 102 -4.515 15.513 -8.470 761 2HG ARG 102 2HG ARG 102 -4.230 13.808 -8.184 762 1HD ARG 102 1HD ARG 102 -1.878 14.158 -8.014 763 2HD ARG 102 2HD ARG 102 -2.035 15.822 -8.542 764 HE ARG 102 HE ARG 102 -3.477 15.123 -6.096 765 1HH1 ARG 102 1HH2 ARG 102 -0.535 16.439 -7.479 766 2HH1 ARG 102 2HH2 ARG 102 -0.072 17.249 -6.000 767 1HH2 ARG 102 1HH1 ARG 102 -2.842 16.178 -4.204 768 2HH2 ARG 102 2HH1 ARG 102 -1.356 17.102 -4.181 769 H VAL 103 H VAL 103 -5.134 11.896 -8.486 770 HA VAL 103 HA VAL 103 -2.644 10.716 -7.615 771 HB VAL 103 HB VAL 103 -5.446 10.681 -6.596 772 1HG1 VAL 103 1HG1 VAL 103 -4.450 8.526 -6.067 773 2HG1 VAL 103 2HG1 VAL 103 -3.018 9.368 -5.379 774 3HG1 VAL 103 3HG1 VAL 103 -4.627 9.546 -4.597 775 1HG2 VAL 103 1HG2 VAL 103 -2.875 11.885 -5.554 776 2HG2 VAL 103 2HG2 VAL 103 -4.229 12.775 -6.333 777 3HG2 VAL 103 3HG2 VAL 103 -4.477 11.972 -4.743 778 H ALA 104 H ALA 104 -5.306 9.852 -9.608 779 HA ALA 104 HA ALA 104 -5.330 7.065 -9.320 780 1HB ALA 104 1HB ALA 104 -7.050 8.314 -10.545 781 2HB ALA 104 2HB ALA 104 -5.831 8.757 -11.790 782 3HB ALA 104 3HB ALA 104 -6.321 7.040 -11.584 783 H GLN 105 H GLN 105 -3.944 8.670 -12.179 784 HA GLN 105 HA GLN 105 -2.285 6.559 -12.913 785 1HB GLN 105 1HB GLN 105 -1.120 8.137 -14.308 786 2HB GLN 105 2HB GLN 105 -2.833 8.505 -14.338 787 1HG GLN 105 1HG GLN 105 -2.278 10.155 -12.420 788 2HG GLN 105 2HG GLN 105 -0.621 9.987 -12.963 789 1HE2 GLN 105 2HE2 GLN 105 -0.080 11.751 -14.041 790 2HE2 GLN 105 1HE2 GLN 105 -1.043 12.513 -15.287 791 H ARG 106 H ARG 106 -1.674 9.273 -10.699 792 HA ARG 106 HA ARG 106 1.024 9.055 -10.283 793 1HB ARG 106 1HB ARG 106 -1.185 10.136 -8.910 794 2HB ARG 106 2HB ARG 106 -0.199 9.275 -7.744 795 1HG ARG 106 1HG ARG 106 0.459 11.630 -7.946 796 2HG ARG 106 2HG ARG 106 1.753 10.545 -8.415 797 1HD ARG 106 1HD ARG 106 1.891 11.714 -10.316 798 2HD ARG 106 2HD ARG 106 0.363 10.985 -10.769 799 HE ARG 106 HE ARG 106 -0.470 13.095 -9.290 800 1HH1 ARG 106 1HH2 ARG 106 1.860 12.879 -11.901 801 2HH1 ARG 106 2HH2 ARG 106 1.553 14.513 -12.442 802 1HH2 ARG 106 1HH1 ARG 106 -0.846 15.180 -10.008 803 2HH2 ARG 106 2HH1 ARG 106 0.037 15.804 -11.383 804 H ALA 107 H ALA 107 -1.524 7.102 -8.763 805 HA ALA 107 HA ALA 107 0.325 5.483 -7.295 806 1HB ALA 107 1HB ALA 107 -1.993 5.832 -6.604 807 2HB ALA 107 2HB ALA 107 -2.553 5.027 -8.111 808 3HB ALA 107 3HB ALA 107 -1.656 4.086 -6.869 809 H GLY 108 H GLY 108 -1.477 5.078 -10.337 810 1HA GLY 108 1HA GLY 108 -0.644 2.520 -11.043 811 2HA GLY 108 2HA GLY 108 -1.024 3.804 -12.174 812 H GLU 109 H GLU 109 1.147 5.529 -11.152 813 HA GLU 109 HA GLU 109 3.176 4.816 -12.943 814 1HB GLU 109 1HB GLU 109 3.158 6.650 -10.573 815 2HB GLU 109 2HB GLU 109 4.554 6.469 -11.616 816 1HG GLU 109 1HG GLU 109 3.283 7.224 -13.524 817 2HG GLU 109 2HG GLU 109 1.816 7.275 -12.568 818 H ILE 110 H ILE 110 2.894 4.328 -9.435 819 HA ILE 110 HA ILE 110 5.438 2.949 -9.314 820 HB ILE 110 HB ILE 110 3.250 3.196 -7.279 821 1HG1 ILE 110 1HG1 ILE 110 3.885 5.367 -7.408 822 2HG1 ILE 110 2HG1 ILE 110 5.143 4.796 -6.330 823 1HG2 ILE 110 1HG2 ILE 110 4.688 1.280 -6.830 824 2HG2 ILE 110 2HG2 ILE 110 6.138 2.332 -6.984 825 3HG2 ILE 110 3HG2 ILE 110 4.981 2.589 -5.632 826 1HD1 ILE 110 1HD1 ILE 110 6.673 4.499 -8.237 827 2HD1 ILE 110 2HD1 ILE 110 5.382 5.085 -9.343 828 3HD1 ILE 110 3HD1 ILE 110 6.088 6.195 -8.118 829 H VAL 111 H VAL 111 2.084 2.154 -9.731 830 HA VAL 111 HA VAL 111 2.157 -0.568 -9.141 831 HB VAL 111 HB VAL 111 0.559 0.933 -11.152 832 1HG1 VAL 111 1HG1 VAL 111 0.599 -1.406 -11.811 833 2HG1 VAL 111 2HG1 VAL 111 0.137 -1.884 -10.140 834 3HG1 VAL 111 3HG1 VAL 111 -1.014 -0.952 -11.160 835 1HG2 VAL 111 1HG2 VAL 111 -0.079 0.007 -8.346 836 2HG2 VAL 111 2HG2 VAL 111 0.223 1.698 -8.875 837 3HG2 VAL 111 3HG2 VAL 111 -1.229 0.818 -9.466 838 H SER 112 H SER 112 2.641 1.020 -12.290 839 HA SER 112 HA SER 112 3.368 -1.284 -13.714 840 1HB SER 112 1HB SER 112 3.306 1.493 -14.193 841 2HB SER 112 2HB SER 112 4.907 0.936 -14.633 842 HG SER 112 HG SER 112 3.413 0.766 -16.377 843 H SER 113 H SER 113 5.154 0.628 -11.412 844 HA SER 113 HA SER 113 7.731 -0.445 -12.129 845 1HB SER 113 1HB SER 113 6.810 0.975 -9.651 846 2HB SER 113 2HB SER 113 8.477 0.631 -10.066 847 HG SER 113 HG SER 113 7.833 2.744 -10.706 848 H CYS 114 H CYS 114 6.184 -0.653 -8.940 849 HA CYS 114 HA CYS 114 6.336 -3.563 -8.984 850 1HB CYS 114 1HB CYS 114 8.564 -2.456 -8.169 851 2HB CYS 114 2HB CYS 114 7.656 -2.232 -6.687 852 H GLY 115 H GLY 115 4.094 -2.054 -9.103 853 1HA GLY 115 1HA GLY 115 2.927 -2.464 -6.412 854 2HA GLY 115 2HA GLY 115 2.688 -0.934 -7.231 855 H VAL 116 H VAL 116 2.956 -3.760 -9.183 856 HA VAL 116 HA VAL 116 0.303 -3.434 -10.209 857 HB VAL 116 HB VAL 116 2.038 -4.020 -11.696 858 1HG1 VAL 116 1HG1 VAL 116 3.556 -5.165 -10.168 859 2HG1 VAL 116 2HG1 VAL 116 2.407 -6.544 -10.065 860 3HG1 VAL 116 3HG1 VAL 116 3.228 -6.172 -11.620 861 1HG2 VAL 116 1HG2 VAL 116 0.136 -6.342 -11.313 862 2HG2 VAL 116 2HG2 VAL 116 -0.182 -4.841 -12.251 863 3HG2 VAL 116 3HG2 VAL 116 1.079 -5.997 -12.805 864 H ARG 117 H ARG 117 -1.438 -3.993 -9.127 865 HA ARG 117 HA ARG 117 -1.553 -6.692 -8.008 866 1HB ARG 117 1HB ARG 117 -2.530 -4.640 -6.161 867 2HB ARG 117 2HB ARG 117 -1.804 -6.201 -5.835 868 1HG ARG 117 1HG ARG 117 -0.138 -3.995 -6.911 869 2HG ARG 117 2HG ARG 117 -0.556 -4.023 -5.209 870 1HD ARG 117 1HD ARG 117 0.875 -5.661 -4.766 871 2HD ARG 117 2HD ARG 117 0.426 -6.564 -6.198 872 HE ARG 117 HE ARG 117 2.180 -4.220 -6.518 873 1HH1 ARG 117 1HH2 ARG 117 1.874 -7.720 -6.432 874 2HH1 ARG 117 2HH2 ARG 117 3.389 -7.978 -7.267 875 1HH2 ARG 117 1HH1 ARG 117 4.096 -4.578 -7.616 876 2HH2 ARG 117 2HH1 ARG 117 4.636 -6.211 -7.932 877 H CYS 118 H CYS 118 -3.414 -3.728 -7.500 878 HA CYS 118 HA CYS 118 -5.678 -5.006 -8.915 879 1HB CYS 118 1HB CYS 118 -5.567 -4.083 -6.254 880 2HB CYS 118 2HB CYS 118 -6.610 -2.999 -7.154 881 H MET 119 H MET 119 -3.346 -2.717 -9.078 882 HA MET 119 HA MET 119 -5.034 -0.726 -10.432 883 1HB MET 119 1HB MET 119 -3.002 -0.427 -8.705 884 2HB MET 119 2HB MET 119 -2.142 -0.327 -10.229 885 1HG MET 119 1HG MET 119 -3.038 1.675 -10.741 886 2HG MET 119 2HG MET 119 -4.616 1.237 -10.118 887 1HE MET 119 1HE MET 119 -4.041 4.072 -9.601 888 2HE MET 119 2HE MET 119 -5.364 3.187 -8.764 889 3HE MET 119 3HE MET 119 -4.245 4.235 -7.823 890 H ARG 120 H ARG 120 -3.464 -3.511 -11.196 891 HA ARG 120 HA ARG 120 -3.526 -2.920 -14.020 892 1HB ARG 120 1HB ARG 120 -1.353 -2.039 -13.683 893 2HB ARG 120 2HB ARG 120 -0.915 -3.339 -12.592 894 1HG ARG 120 1HG ARG 120 -0.909 -4.935 -14.396 895 2HG ARG 120 2HG ARG 120 -1.558 -3.746 -15.509 896 1HD ARG 120 1HD ARG 120 0.599 -2.400 -14.863 897 2HD ARG 120 2HD ARG 120 1.202 -3.976 -14.396 898 HE ARG 120 HE ARG 120 1.321 -4.601 -16.631 899 1HH1 ARG 120 1HH2 ARG 120 -0.536 -1.639 -16.332 900 2HH1 ARG 120 2HH2 ARG 120 -0.596 -1.373 -18.061 901 1HH2 ARG 120 1HH1 ARG 120 1.225 -4.238 -18.852 902 2HH2 ARG 120 2HH1 ARG 120 0.392 -2.831 -19.473 903 H GLN 121 H GLN 121 -2.410 -5.097 -11.457 904 HA GLN 121 HA GLN 121 -2.775 -7.432 -13.135 905 1HB GLN 121 1HB GLN 121 -1.322 -6.873 -10.834 906 2HB GLN 121 2HB GLN 121 -2.560 -8.001 -10.317 907 1HG GLN 121 1HG GLN 121 -1.859 -9.646 -11.858 908 2HG GLN 121 2HG GLN 121 -0.921 -8.493 -12.787 909 1HE2 GLN 121 2HE2 GLN 121 -1.165 -9.523 -9.373 910 2HE2 GLN 121 1HE2 GLN 121 0.557 -9.689 -9.114 911 H THR 122 H THR 122 -3.832 -9.209 -11.223 912 HA THR 122 HA THR 122 -6.498 -8.241 -10.567 913 HB THR 122 HB THR 122 -6.301 -10.533 -12.510 914 HG1 THR 122 1HG THR 122 -6.806 -8.887 -14.056 915 1HG2 THR 122 1HG2 THR 122 -8.465 -10.193 -11.259 916 2HG2 THR 122 2HG2 THR 122 -8.501 -8.511 -11.894 917 3HG2 THR 122 3HG2 THR 122 -8.622 -9.902 -13.027 918 H ARG 123 H ARG 123 -7.851 -10.286 -9.817 919 HA ARG 123 HA ARG 123 -6.569 -11.280 -7.520 920 1HB ARG 123 1HB ARG 123 -9.106 -11.792 -8.920 921 2HB ARG 123 2HB ARG 123 -8.545 -13.066 -7.856 922 1HG ARG 123 1HG ARG 123 -8.733 -11.760 -5.966 923 2HG ARG 123 2HG ARG 123 -8.496 -10.265 -6.849 924 1HD ARG 123 1HD ARG 123 -10.702 -10.035 -7.298 925 2HD ARG 123 2HD ARG 123 -10.916 -11.747 -7.599 926 HE ARG 123 HE ARG 123 -10.489 -11.338 -4.818 927 1HH1 ARG 123 1HH2 ARG 123 -12.930 -10.761 -7.266 928 2HH1 ARG 123 2HH2 ARG 123 -14.255 -10.843 -6.127 929 1HH2 ARG 123 1HH1 ARG 123 -12.214 -11.453 -3.364 930 2HH2 ARG 123 2HH1 ARG 123 -13.852 -11.232 -3.940 931 H THR 124 H THR 124 -4.702 -12.346 -7.766 932 HA THR 124 HA THR 124 -4.527 -14.537 -9.703 933 HB THR 124 HB THR 124 -2.100 -14.503 -8.911 934 HG1 THR 124 1HG THR 124 -1.613 -12.588 -7.694 935 1HG2 THR 124 1HG2 THR 124 -2.838 -13.174 -10.936 936 2HG2 THR 124 2HG2 THR 124 -3.233 -11.813 -9.829 937 3HG2 THR 124 3HG2 THR 124 -1.530 -12.361 -10.007 938 H ASN 125 H ASN 125 -3.275 -14.275 -6.389 939 HA ASN 125 HA ASN 125 -3.983 -17.038 -5.922 940 1HB ASN 125 1HB ASN 125 -2.014 -15.290 -4.960 941 2HB ASN 125 2HB ASN 125 -3.029 -15.671 -3.583 942 1HD2 ASN 125 2HD2 ASN 125 -0.313 -16.500 -5.091 943 2HD2 ASN 125 1HD2 ASN 125 -0.234 -18.216 -4.758 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -48.902 -12.452 19.880 2 2H ALA 1 2H ALA 1 -49.694 -11.929 21.237 3 3H ALA 1 3H ALA 1 -49.665 -13.543 20.865 4 HA ALA 1 HA ALA 1 -50.917 -13.144 18.887 5 1HB ALA 1 1HB ALA 1 -52.068 -13.809 20.938 6 2HB ALA 1 2HB ALA 1 -52.165 -12.086 21.440 7 3HB ALA 1 3HB ALA 1 -53.069 -12.653 19.993 8 H GLU 2 H GLU 2 -49.010 -11.121 18.734 9 HA GLU 2 HA GLU 2 -50.732 -8.947 17.750 10 1HB GLU 2 1HB GLU 2 -49.247 -8.698 20.103 11 2HB GLU 2 2HB GLU 2 -48.339 -7.830 18.882 12 1HG GLU 2 1HG GLU 2 -50.023 -6.296 18.525 13 2HG GLU 2 2HG GLU 2 -51.282 -7.404 19.027 14 H PHE 3 H PHE 3 -47.219 -9.287 18.138 15 HA PHE 3 HA PHE 3 -46.668 -10.017 15.463 16 1HB PHE 3 1HB PHE 3 -46.208 -8.002 14.423 17 2HB PHE 3 2HB PHE 3 -47.659 -7.624 15.330 18 HD1 PHE 3 1HD PHE 3 -47.275 -6.597 17.737 19 HD2 PHE 3 2HD PHE 3 -44.327 -6.631 14.601 20 HE1 PHE 3 1HE PHE 3 -46.079 -4.729 18.838 21 HE2 PHE 3 2HE PHE 3 -43.108 -4.791 15.725 22 HZ PHE 3 HZ PHE 3 -43.990 -3.813 17.839 23 H MET 4 H MET 4 -44.296 -8.684 15.021 24 HA MET 4 HA MET 4 -42.633 -8.371 17.272 25 1HB MET 4 1HB MET 4 -43.181 -11.077 16.493 26 2HB MET 4 2HB MET 4 -41.488 -10.718 16.220 27 1HG MET 4 1HG MET 4 -41.391 -9.815 18.560 28 2HG MET 4 2HG MET 4 -43.016 -10.426 18.799 29 1HE MET 4 1HE MET 4 -40.245 -11.147 20.422 30 2HE MET 4 2HE MET 4 -41.879 -11.703 20.925 31 3HE MET 4 3HE MET 4 -40.542 -12.891 20.739 32 H GLU 5 H GLU 5 -40.319 -8.302 16.677 33 HA GLU 5 HA GLU 5 -39.731 -8.196 13.831 34 1HB GLU 5 1HB GLU 5 -39.087 -5.906 13.742 35 2HB GLU 5 2HB GLU 5 -40.715 -5.956 14.386 36 1HG GLU 5 1HG GLU 5 -39.924 -5.594 16.619 37 2HG GLU 5 2HG GLU 5 -38.257 -5.810 16.123 38 H SER 6 H SER 6 -37.363 -7.267 13.599 39 HA SER 6 HA SER 6 -35.493 -7.383 15.612 40 1HB SER 6 1HB SER 6 -35.213 -9.505 16.229 41 2HB SER 6 2HB SER 6 -36.562 -9.967 15.210 42 HG SER 6 HG SER 6 -34.649 -11.115 14.707 43 H LYS 7 H LYS 7 -33.411 -7.150 14.860 44 HA LYS 7 HA LYS 7 -32.946 -7.525 11.996 45 1HB LYS 7 1HB LYS 7 -32.117 -5.254 11.699 46 2HB LYS 7 2HB LYS 7 -33.808 -5.262 12.162 47 1HG LYS 7 1HG LYS 7 -33.071 -3.669 13.628 48 2HG LYS 7 2HG LYS 7 -32.724 -5.084 14.599 49 1HD LYS 7 1HD LYS 7 -30.409 -5.091 13.725 50 2HD LYS 7 2HD LYS 7 -30.766 -3.638 12.814 51 1HE LYS 7 1HE LYS 7 -31.437 -3.453 15.658 52 2HE LYS 7 2HE LYS 7 -29.728 -3.675 15.342 53 1HZ LYS 7 1HZ LYS 7 -29.810 -1.815 13.862 54 2HZ LYS 7 2HZ LYS 7 -31.425 -1.605 14.161 55 3HZ LYS 7 3HZ LYS 7 -30.322 -1.373 15.373 56 H GLY 8 H GLY 8 -30.559 -6.852 11.518 57 1HA GLY 8 1HA GLY 8 -28.872 -7.740 13.789 58 2HA GLY 8 2HA GLY 8 -28.697 -8.449 12.196 59 H GLU 9 H GLU 9 -27.197 -7.643 10.936 60 HA GLU 9 HA GLU 9 -26.741 -4.841 10.662 61 1HB GLU 9 1HB GLU 9 -25.544 -5.676 12.898 62 2HB GLU 9 2HB GLU 9 -24.298 -6.111 11.746 63 1HG GLU 9 1HG GLU 9 -23.892 -3.859 12.565 64 2HG GLU 9 2HG GLU 9 -24.339 -3.792 10.872 65 H ARG 10 H ARG 10 -25.520 -4.326 8.878 66 HA ARG 10 HA ARG 10 -25.048 -6.543 7.066 67 1HB ARG 10 1HB ARG 10 -25.689 -3.823 6.803 68 2HB ARG 10 2HB ARG 10 -24.117 -4.035 6.059 69 1HG ARG 10 1HG ARG 10 -25.510 -6.233 5.159 70 2HG ARG 10 2HG ARG 10 -26.738 -4.982 5.175 71 1HD ARG 10 1HD ARG 10 -25.863 -3.995 3.364 72 2HD ARG 10 2HD ARG 10 -24.259 -3.987 4.070 73 HE ARG 10 HE ARG 10 -24.795 -6.623 3.235 74 1HH1 ARG 10 1HH2 ARG 10 -24.352 -3.479 1.775 75 2HH1 ARG 10 2HH2 ARG 10 -23.726 -4.140 0.281 76 1HH2 ARG 10 1HH1 ARG 10 -23.983 -7.455 1.315 77 2HH2 ARG 10 2HH1 ARG 10 -23.520 -6.371 0.023 78 H GLU 11 H GLU 11 -23.048 -6.558 5.730 79 HA GLU 11 HA GLU 11 -20.662 -5.625 7.142 80 1HB GLU 11 1HB GLU 11 -21.556 -8.258 7.477 81 2HB GLU 11 2HB GLU 11 -20.208 -8.346 6.359 82 1HG GLU 11 1HG GLU 11 -18.742 -7.267 7.899 83 2HG GLU 11 2HG GLU 11 -20.072 -6.798 8.939 84 H GLY 12 H GLY 12 -18.659 -6.618 5.787 85 1HA GLY 12 1HA GLY 12 -17.901 -7.119 3.555 86 2HA GLY 12 2HA GLY 12 -19.290 -6.263 2.917 87 H SER 13 H SER 13 -16.545 -5.846 2.245 88 HA SER 13 HA SER 13 -16.308 -3.176 1.951 89 1HB SER 13 1HB SER 13 -15.840 -3.817 4.758 90 2HB SER 13 2HB SER 13 -14.506 -2.950 4.024 91 HG SER 13 HG SER 13 -16.105 -1.529 4.885 92 H SER 14 H SER 14 -14.665 -6.099 2.923 93 HA SER 14 HA SER 14 -12.873 -5.936 0.706 94 1HB SER 14 1HB SER 14 -10.789 -5.925 2.072 95 2HB SER 14 2HB SER 14 -11.642 -4.395 2.032 96 HG SER 14 HG SER 14 -10.952 -4.959 4.148 97 H SER 15 H SER 15 -10.917 -7.672 1.390 98 HA SER 15 HA SER 15 -12.168 -10.151 1.262 99 1HB SER 15 1HB SER 15 -9.582 -9.212 1.030 100 2HB SER 15 2HB SER 15 -9.512 -10.252 2.438 101 HG SER 15 HG SER 15 -9.113 -11.391 0.485 102 H GLN 16 H GLN 16 -11.056 -11.860 3.041 103 HA GLN 16 HA GLN 16 -12.769 -11.979 5.133 104 1HB GLN 16 1HB GLN 16 -11.231 -13.770 4.658 105 2HB GLN 16 2HB GLN 16 -9.869 -12.776 5.131 106 1HG GLN 16 1HG GLN 16 -10.705 -12.679 7.425 107 2HG GLN 16 2HG GLN 16 -12.117 -13.609 6.966 108 1HE2 GLN 16 2HE2 GLN 16 -12.031 -15.617 7.653 109 2HE2 GLN 16 1HE2 GLN 16 -10.603 -16.626 7.698 110 H GLN 17 H GLN 17 -9.475 -10.628 5.475 111 HA GLN 17 HA GLN 17 -10.272 -8.300 6.817 112 1HB GLN 17 1HB GLN 17 -10.707 -10.388 8.480 113 2HB GLN 17 2HB GLN 17 -9.058 -9.970 8.900 114 1HG GLN 17 1HG GLN 17 -9.656 -7.767 9.504 115 2HG GLN 17 2HG GLN 17 -11.211 -7.886 8.707 116 1HE2 GLN 17 2HE2 GLN 17 -11.571 -6.945 11.018 117 2HE2 GLN 17 1HE2 GLN 17 -12.054 -8.121 12.219 118 H CYS 18 H CYS 18 -8.497 -9.019 4.780 119 HA CYS 18 HA CYS 18 -5.814 -9.040 5.873 120 1HB CYS 18 1HB CYS 18 -6.820 -9.829 3.522 121 2HB CYS 18 2HB CYS 18 -6.277 -8.221 3.089 122 H ARG 19 H ARG 19 -8.183 -6.675 4.797 123 HA ARG 19 HA ARG 19 -6.777 -4.437 4.238 124 1HB ARG 19 1HB ARG 19 -9.345 -4.913 4.910 125 2HB ARG 19 2HB ARG 19 -8.812 -4.027 6.324 126 1HG ARG 19 1HG ARG 19 -8.235 -2.129 5.057 127 2HG ARG 19 2HG ARG 19 -8.244 -3.027 3.553 128 1HD ARG 19 1HD ARG 19 -10.781 -3.406 4.169 129 2HD ARG 19 2HD ARG 19 -10.541 -1.959 5.128 130 HE ARG 19 HE ARG 19 -10.669 -0.744 3.187 131 1HH1 ARG 19 1HH2 ARG 19 -9.497 -3.937 2.381 132 2HH1 ARG 19 2HH2 ARG 19 -9.397 -3.591 0.670 133 1HH2 ARG 19 1HH1 ARG 19 -10.522 -0.325 0.991 134 2HH2 ARG 19 2HH1 ARG 19 -9.970 -1.572 -0.104 135 H GLN 20 H GLN 20 -7.004 -6.012 7.391 136 HA GLN 20 HA GLN 20 -5.778 -3.981 8.896 137 1HB GLN 20 1HB GLN 20 -7.045 -5.868 9.849 138 2HB GLN 20 2HB GLN 20 -5.748 -6.949 9.376 139 1HG GLN 20 1HG GLN 20 -4.400 -4.970 10.731 140 2HG GLN 20 2HG GLN 20 -5.895 -5.093 11.637 141 1HE2 GLN 20 2HE2 GLN 20 -3.134 -6.898 10.367 142 2HE2 GLN 20 1HE2 GLN 20 -3.183 -8.194 11.542 143 H GLU 21 H GLU 21 -4.230 -7.119 8.203 144 HA GLU 21 HA GLU 21 -1.632 -6.118 8.535 145 1HB GLU 21 1HB GLU 21 -0.887 -8.220 7.889 146 2HB GLU 21 2HB GLU 21 -2.482 -8.536 8.542 147 1HG GLU 21 1HG GLU 21 -3.402 -8.508 6.246 148 2HG GLU 21 2HG GLU 21 -1.785 -8.261 5.619 149 H VAL 22 H VAL 22 -3.767 -5.826 5.890 150 HA VAL 22 HA VAL 22 -1.908 -5.567 3.788 151 HB VAL 22 HB VAL 22 -4.758 -4.955 4.212 152 1HG1 VAL 22 1HG1 VAL 22 -4.004 -2.907 3.147 153 2HG1 VAL 22 2HG1 VAL 22 -3.194 -3.873 1.865 154 3HG1 VAL 22 3HG1 VAL 22 -4.986 -3.896 2.011 155 1HG2 VAL 22 1HG2 VAL 22 -3.250 -6.462 2.072 156 2HG2 VAL 22 2HG2 VAL 22 -4.110 -7.175 3.482 157 3HG2 VAL 22 3HG2 VAL 22 -5.039 -6.328 2.195 158 H GLN 23 H GLN 23 -3.484 -3.275 5.994 159 HA GLN 23 HA GLN 23 -2.050 -1.047 4.844 160 1HB GLN 23 1HB GLN 23 -3.252 0.315 6.306 161 2HB GLN 23 2HB GLN 23 -4.364 -0.959 5.847 162 1HG GLN 23 1HG GLN 23 -4.697 -1.385 8.009 163 2HG GLN 23 2HG GLN 23 -3.024 -1.892 8.131 164 1HE2 GLN 23 2HE2 GLN 23 -3.102 -1.160 10.342 165 2HE2 GLN 23 1HE2 GLN 23 -2.902 0.542 10.701 166 H ARG 24 H ARG 24 -0.203 -2.940 5.535 167 HA ARG 24 HA ARG 24 1.379 -1.476 7.479 168 1HB ARG 24 1HB ARG 24 0.592 -4.348 7.907 169 2HB ARG 24 2HB ARG 24 1.873 -3.532 8.781 170 1HG ARG 24 1HG ARG 24 0.046 -1.804 9.393 171 2HG ARG 24 2HG ARG 24 -1.082 -3.053 8.907 172 1HD ARG 24 1HD ARG 24 0.941 -3.152 11.119 173 2HD ARG 24 2HD ARG 24 -0.802 -3.286 11.244 174 HE ARG 24 HE ARG 24 -0.245 -5.422 9.693 175 1HH1 ARG 24 1HH2 ARG 24 1.213 -4.316 12.675 176 2HH1 ARG 24 2HH2 ARG 24 1.684 -5.929 13.163 177 1HH2 ARG 24 1HH1 ARG 24 0.380 -7.472 10.324 178 2HH2 ARG 24 2HH1 ARG 24 1.216 -7.702 11.843 179 H LYS 25 H LYS 25 1.046 -4.361 5.443 180 HA LYS 25 HA LYS 25 3.886 -4.028 4.688 181 1HB LYS 25 1HB LYS 25 3.991 -6.393 4.297 182 2HB LYS 25 2HB LYS 25 3.420 -6.087 5.925 183 1HG LYS 25 1HG LYS 25 1.074 -6.339 4.977 184 2HG LYS 25 2HG LYS 25 1.842 -6.999 3.547 185 1HD LYS 25 1HD LYS 25 1.789 -8.980 4.551 186 2HD LYS 25 2HD LYS 25 3.004 -8.372 5.655 187 1HE LYS 25 1HE LYS 25 0.819 -7.350 6.795 188 2HE LYS 25 2HE LYS 25 0.123 -8.778 6.059 189 1HZ LYS 25 1HZ LYS 25 1.773 -10.090 7.157 190 2HZ LYS 25 2HZ LYS 25 2.432 -8.740 7.852 191 3HZ LYS 25 3HZ LYS 25 0.900 -9.218 8.259 192 H ASP 26 H ASP 26 0.747 -5.156 3.468 193 HA ASP 26 HA ASP 26 1.387 -5.187 0.746 194 1HB ASP 26 1HB ASP 26 -1.260 -4.397 1.934 195 2HB ASP 26 2HB ASP 26 -0.976 -5.036 0.327 196 H LEU 27 H LEU 27 0.749 -3.637 -0.928 197 HA LEU 27 HA LEU 27 1.753 -1.406 -1.313 198 1HB LEU 27 1HB LEU 27 -1.229 -1.557 -1.342 199 2HB LEU 27 2HB LEU 27 -0.291 -0.302 -2.125 200 HG LEU 27 HG LEU 27 -0.897 -1.804 -3.780 201 1HD1 LEU 27 1HD1 LEU 27 1.385 -1.052 -3.995 202 2HD1 LEU 27 2HD1 LEU 27 1.944 -2.438 -2.997 203 3HD1 LEU 27 3HD1 LEU 27 1.211 -2.731 -4.612 204 1HD2 LEU 27 1HD2 LEU 27 0.097 -4.060 -2.038 205 2HD2 LEU 27 2HD2 LEU 27 -1.615 -3.683 -2.439 206 3HD2 LEU 27 3HD2 LEU 27 -0.487 -4.223 -3.731 207 H SER 28 H SER 28 2.785 -0.632 0.547 208 HA SER 28 HA SER 28 1.137 1.223 2.130 209 1HB SER 28 1HB SER 28 1.182 -0.562 3.647 210 2HB SER 28 2HB SER 28 2.856 -0.933 3.285 211 HG SER 28 HG SER 28 2.612 0.131 5.313 212 H SER 29 H SER 29 2.785 1.711 -0.086 213 HA SER 29 HA SER 29 4.397 3.795 0.939 214 1HB SER 29 1HB SER 29 5.822 1.807 1.556 215 2HB SER 29 2HB SER 29 5.986 1.493 -0.160 216 HG SER 29 HG SER 29 7.732 2.710 0.679 217 H CYS 30 H CYS 30 3.723 1.484 -1.650 218 HA CYS 30 HA CYS 30 4.794 2.881 -3.805 219 1HB CYS 30 1HB CYS 30 2.174 1.452 -3.928 220 2HB CYS 30 2HB CYS 30 3.382 1.616 -5.185 221 H GLU 31 H GLU 31 1.473 3.043 -2.502 222 HA GLU 31 HA GLU 31 0.814 5.316 -4.139 223 1HB GLU 31 1HB GLU 31 -0.549 3.552 -2.339 224 2HB GLU 31 2HB GLU 31 -0.954 5.217 -1.973 225 1HG GLU 31 1HG GLU 31 -2.544 4.490 -3.576 226 2HG GLU 31 2HG GLU 31 -1.417 5.515 -4.442 227 H ARG 32 H ARG 32 2.077 4.803 -0.901 228 HA ARG 32 HA ARG 32 1.675 7.408 0.102 229 1HB ARG 32 1HB ARG 32 2.461 5.253 1.302 230 2HB ARG 32 2HB ARG 32 4.064 5.747 0.795 231 1HG ARG 32 1HG ARG 32 3.810 6.698 2.941 232 2HG ARG 32 2HG ARG 32 3.498 8.024 1.839 233 1HD ARG 32 1HD ARG 32 1.681 8.254 3.237 234 2HD ARG 32 2HD ARG 32 1.001 7.151 2.060 235 HE ARG 32 HE ARG 32 0.924 5.485 3.670 236 1HH1 ARG 32 1HH2 ARG 32 3.004 8.078 4.786 237 2HH1 ARG 32 2HH2 ARG 32 3.190 7.388 6.384 238 1HH2 ARG 32 1HH1 ARG 32 1.190 4.618 5.726 239 2HH2 ARG 32 2HH1 ARG 32 2.174 5.451 6.908 240 H TYR 33 H TYR 33 4.239 6.008 -1.853 241 HA TYR 33 HA TYR 33 6.185 7.955 -1.752 242 1HB TYR 33 1HB TYR 33 6.449 5.828 -2.861 243 2HB TYR 33 2HB TYR 33 5.181 6.227 -4.003 244 HD1 TYR 33 1HD TYR 33 5.786 6.985 -6.120 245 HD2 TYR 33 2HD TYR 33 8.491 7.531 -2.818 246 HE1 TYR 33 1HE TYR 33 7.485 7.915 -7.680 247 HE2 TYR 33 2HE TYR 33 10.167 8.508 -4.359 248 HH TYR 33 HH TYR 33 10.662 9.012 -6.470 249 H LEU 34 H LEU 34 3.305 7.728 -3.839 250 HA LEU 34 HA LEU 34 3.891 10.212 -5.161 251 1HB LEU 34 1HB LEU 34 2.137 9.734 -6.502 252 2HB LEU 34 2HB LEU 34 2.531 8.127 -5.925 253 HG LEU 34 HG LEU 34 0.719 8.836 -4.094 254 1HD1 LEU 34 1HD1 LEU 34 0.258 11.026 -5.060 255 2HD1 LEU 34 2HD1 LEU 34 -0.163 10.247 -6.625 256 3HD1 LEU 34 3HD1 LEU 34 -1.189 9.964 -5.176 257 1HD2 LEU 34 1HD2 LEU 34 0.125 7.641 -6.806 258 2HD2 LEU 34 2HD2 LEU 34 0.718 6.761 -5.355 259 3HD2 LEU 34 3HD2 LEU 34 -0.921 7.501 -5.352 260 H ARG 35 H ARG 35 2.222 9.231 -2.276 261 HA ARG 35 HA ARG 35 0.663 11.586 -1.926 262 1HB ARG 35 1HB ARG 35 0.513 9.257 -0.760 263 2HB ARG 35 2HB ARG 35 1.664 9.956 0.361 264 1HG ARG 35 1HG ARG 35 -0.605 11.703 -0.282 265 2HG ARG 35 2HG ARG 35 -1.051 10.227 0.551 266 1HD ARG 35 1HD ARG 35 0.828 10.809 2.204 267 2HD ARG 35 2HD ARG 35 0.794 12.406 1.485 268 HE ARG 35 HE ARG 35 -1.238 11.206 3.220 269 1HH1 ARG 35 1HH2 ARG 35 -0.489 13.776 0.969 270 2HH1 ARG 35 2HH2 ARG 35 -1.796 14.796 1.530 271 1HH2 ARG 35 1HH1 ARG 35 -2.908 12.522 3.916 272 2HH2 ARG 35 2HH1 ARG 35 -3.153 14.092 3.184 273 H GLN 36 H GLN 36 3.891 10.568 -0.868 274 HA GLN 36 HA GLN 36 4.334 13.035 0.556 275 1HB GLN 36 1HB GLN 36 5.485 10.470 0.525 276 2HB GLN 36 2HB GLN 36 6.742 11.596 0.056 277 1HG GLN 36 1HG GLN 36 5.980 13.007 2.066 278 2HG GLN 36 2HG GLN 36 5.111 11.577 2.585 279 1HE2 GLN 36 2HE2 GLN 36 6.956 9.642 1.597 280 2HE2 GLN 36 1HE2 GLN 36 8.384 9.712 2.603 281 H SER 37 H SER 37 6.994 13.566 -0.078 282 HA SER 37 HA SER 37 7.126 14.101 -2.942 283 1HB SER 37 1HB SER 37 5.813 15.984 -1.940 284 2HB SER 37 2HB SER 37 7.213 16.365 -0.958 285 HG SER 37 HG SER 37 7.116 17.627 -2.871 286 H SER 38 H SER 38 8.508 14.612 0.293 287 HA SER 38 HA SER 38 11.092 13.700 -0.679 288 1HB SER 38 1HB SER 38 10.555 16.528 -0.009 289 2HB SER 38 2HB SER 38 12.039 15.834 0.613 290 HG SER 38 HG SER 38 12.319 16.783 -1.461 291 H SER 39 H SER 39 11.915 12.385 0.767 292 HA SER 39 HA SER 39 11.602 12.974 3.612 293 1HB SER 39 1HB SER 39 9.758 11.323 2.514 294 2HB SER 39 2HB SER 39 11.003 10.177 2.967 295 HG SER 39 HG SER 39 9.505 10.564 4.675 296 H ARG 40 H ARG 40 12.506 10.531 4.596 297 HA ARG 40 HA ARG 40 14.946 9.828 3.174 298 1HB ARG 40 1HB ARG 40 15.311 11.936 4.675 299 2HB ARG 40 2HB ARG 40 15.268 10.777 5.988 300 1HG ARG 40 1HG ARG 40 17.005 9.452 4.628 301 2HG ARG 40 2HG ARG 40 17.206 10.920 3.693 302 1HD ARG 40 1HD ARG 40 17.316 11.182 6.647 303 2HD ARG 40 2HD ARG 40 18.678 10.403 5.868 304 HE ARG 40 HE ARG 40 17.929 13.218 5.708 305 1HH1 ARG 40 1HH2 ARG 40 19.747 10.631 4.201 306 2HH1 ARG 40 2HH2 ARG 40 20.810 11.727 3.348 307 1HH2 ARG 40 1HH1 ARG 40 19.300 14.612 4.598 308 2HH2 ARG 40 2HH1 ARG 40 20.559 13.961 3.571 309 H ARG 41 H ARG 41 15.236 7.734 3.349 310 HA ARG 41 HA ARG 41 13.627 5.996 4.744 311 1HB ARG 41 1HB ARG 41 15.550 4.380 4.623 312 2HB ARG 41 2HB ARG 41 15.098 5.120 3.101 313 1HG ARG 41 1HG ARG 41 17.080 6.686 4.542 314 2HG ARG 41 2HG ARG 41 17.644 5.065 4.190 315 1HD ARG 41 1HD ARG 41 16.637 5.623 1.795 316 2HD ARG 41 2HD ARG 41 16.943 7.268 2.315 317 HE ARG 41 HE ARG 41 18.892 5.374 1.444 318 1HH1 ARG 41 1HH2 ARG 41 18.425 7.937 3.781 319 2HH1 ARG 41 2HH2 ARG 41 20.135 8.286 3.909 320 1HH2 ARG 41 1HH1 ARG 41 21.090 5.819 1.637 321 2HH2 ARG 41 2HH1 ARG 41 21.628 7.095 2.705 322 H SER 42 H SER 42 13.775 4.803 6.651 323 HA SER 42 HA SER 42 15.777 5.516 8.627 324 1HB SER 42 1HB SER 42 14.040 7.340 8.771 325 2HB SER 42 2HB SER 42 12.913 6.107 9.301 326 HG SER 42 HG SER 42 13.916 7.193 11.060 327 H THR 43 H THR 43 14.674 3.200 7.130 328 HA THR 43 HA THR 43 14.628 1.355 9.331 329 HB THR 43 HB THR 43 12.333 1.886 9.569 330 HG1 THR 43 1HG THR 43 11.402 -0.053 8.739 331 1HG2 THR 43 1HG2 THR 43 12.021 3.133 7.399 332 2HG2 THR 43 2HG2 THR 43 12.047 1.550 6.547 333 3HG2 THR 43 3HG2 THR 43 10.723 1.927 7.704 334 H GLY 44 H GLY 44 15.135 -0.709 8.732 335 1HA GLY 44 1HA GLY 44 15.385 -2.475 7.179 336 2HA GLY 44 2HA GLY 44 15.218 -1.338 5.857 337 H GLU 45 H GLU 45 17.321 -3.315 7.342 338 HA GLU 45 HA GLU 45 19.668 -1.637 7.383 339 1HB GLU 45 1HB GLU 45 19.144 -4.549 7.715 340 2HB GLU 45 2HB GLU 45 20.782 -4.004 7.414 341 1HG GLU 45 1HG GLU 45 20.734 -3.916 9.721 342 2HG GLU 45 2HG GLU 45 20.223 -2.285 9.331 343 H GLU 46 H GLU 46 17.819 -2.790 4.890 344 HA GLU 46 HA GLU 46 20.125 -3.028 3.082 345 1HB GLU 46 1HB GLU 46 18.054 -4.753 3.366 346 2HB GLU 46 2HB GLU 46 17.484 -3.744 2.051 347 1HG GLU 46 1HG GLU 46 18.865 -4.778 0.623 348 2HG GLU 46 2HG GLU 46 20.245 -4.358 1.618 349 H VAL 47 H VAL 47 20.205 -0.618 3.423 350 HA VAL 47 HA VAL 47 18.691 0.621 1.240 351 HB VAL 47 HB VAL 47 18.681 1.563 4.079 352 1HG1 VAL 47 1HG1 VAL 47 19.261 3.489 2.664 353 2HG1 VAL 47 2HG1 VAL 47 17.857 3.120 1.603 354 3HG1 VAL 47 3HG1 VAL 47 17.588 3.638 3.304 355 1HG2 VAL 47 1HG2 VAL 47 16.454 1.049 2.083 356 2HG2 VAL 47 2HG2 VAL 47 16.891 -0.003 3.474 357 3HG2 VAL 47 3HG2 VAL 47 16.237 1.646 3.766 358 H LEU 48 H LEU 48 21.046 -0.088 0.670 359 HA LEU 48 HA LEU 48 22.747 2.272 1.151 360 1HB LEU 48 1HB LEU 48 24.695 0.920 1.098 361 2HB LEU 48 2HB LEU 48 23.588 0.285 2.298 362 HG LEU 48 HG LEU 48 23.421 -0.922 -0.374 363 1HD1 LEU 48 1HD1 LEU 48 25.839 -0.660 -0.204 364 2HD1 LEU 48 2HD1 LEU 48 25.809 -1.417 1.426 365 3HD1 LEU 48 3HD1 LEU 48 25.375 -2.387 -0.024 366 1HD2 LEU 48 1HD2 LEU 48 23.475 -2.053 2.430 367 2HD2 LEU 48 2HD2 LEU 48 22.012 -1.702 1.446 368 3HD2 LEU 48 3HD2 LEU 48 23.154 -2.990 0.929 369 H ARG 49 H ARG 49 20.977 2.587 -0.738 370 HA ARG 49 HA ARG 49 22.602 2.375 -3.189 371 1HB ARG 49 1HB ARG 49 20.507 0.704 -2.820 372 2HB ARG 49 2HB ARG 49 19.701 2.069 -3.566 373 1HG ARG 49 1HG ARG 49 20.369 0.685 -5.368 374 2HG ARG 49 2HG ARG 49 21.536 1.992 -5.337 375 1HD ARG 49 1HD ARG 49 22.293 -0.282 -3.668 376 2HD ARG 49 2HD ARG 49 22.153 -0.682 -5.368 377 HE ARG 49 HE ARG 49 23.690 1.738 -4.808 378 1HH1 ARG 49 1HH2 ARG 49 23.838 -1.728 -5.281 379 2HH1 ARG 49 2HH2 ARG 49 25.534 -1.702 -5.709 380 1HH2 ARG 49 1HH1 ARG 49 25.862 1.746 -5.360 381 2HH2 ARG 49 2HH1 ARG 49 26.668 0.243 -5.752 382 H MET 50 H MET 50 21.951 3.857 -4.876 383 HA MET 50 HA MET 50 21.006 6.373 -3.687 384 1HB MET 50 1HB MET 50 22.599 5.663 -6.122 385 2HB MET 50 2HB MET 50 21.872 7.248 -5.952 386 1HG MET 50 1HG MET 50 23.748 6.002 -3.950 387 2HG MET 50 2HG MET 50 24.219 7.181 -5.158 388 1HE MET 50 1HE MET 50 25.163 8.211 -2.663 389 2HE MET 50 2HE MET 50 24.915 9.286 -4.083 390 3HE MET 50 3HE MET 50 24.354 9.803 -2.455 391 HA PRO 51 HA PRO 51 17.308 6.431 -5.912 392 1HB PRO 51 1HB PRO 51 16.947 9.105 -6.417 393 2HB PRO 51 2HB PRO 51 16.593 8.310 -4.896 394 1HG PRO 51 1HG PRO 51 18.846 10.084 -5.577 395 2HG PRO 51 2HG PRO 51 18.231 9.646 -3.996 396 1HD PRO 51 1HD PRO 51 20.551 8.612 -5.286 397 2HD PRO 51 2HD PRO 51 19.876 8.098 -3.753 398 H GLY 52 H GLY 52 16.619 5.976 -7.898 399 1HA GLY 52 1HA GLY 52 18.193 7.117 -10.149 400 2HA GLY 52 2HA GLY 52 17.750 5.423 -10.089 401 H ASP 53 H ASP 53 15.512 4.829 -10.185 402 HA ASP 53 HA ASP 53 13.498 6.796 -10.782 403 1HB ASP 53 1HB ASP 53 15.023 5.595 -12.982 404 2HB ASP 53 2HB ASP 53 13.288 5.396 -13.123 405 H GLU 54 H GLU 54 14.033 3.590 -12.226 406 HA GLU 54 HA GLU 54 11.739 2.600 -10.672 407 1HB GLU 54 1HB GLU 54 12.514 2.278 -13.479 408 2HB GLU 54 2HB GLU 54 11.976 0.815 -12.678 409 1HG GLU 54 1HG GLU 54 10.063 2.485 -11.828 410 2HG GLU 54 2HG GLU 54 10.459 3.271 -13.343 411 H ASN 55 H ASN 55 12.188 1.249 -9.099 412 HA ASN 55 HA ASN 55 14.805 0.092 -8.837 413 1HB ASN 55 1HB ASN 55 13.621 0.698 -6.839 414 2HB ASN 55 2HB ASN 55 12.252 -0.296 -7.293 415 1HD2 ASN 55 2HD2 ASN 55 12.136 -2.283 -6.444 416 2HD2 ASN 55 1HD2 ASN 55 13.477 -3.178 -5.767 417 H GLN 56 H GLN 56 14.374 -0.858 -11.172 418 HA GLN 56 HA GLN 56 13.147 -3.512 -10.854 419 1HB GLN 56 1HB GLN 56 11.992 -2.667 -12.626 420 2HB GLN 56 2HB GLN 56 13.299 -1.605 -13.109 421 1HG GLN 56 1HG GLN 56 14.368 -3.244 -14.330 422 2HG GLN 56 2HG GLN 56 13.709 -4.544 -13.356 423 1HE2 GLN 56 2HE2 GLN 56 13.855 -4.372 -16.211 424 2HE2 GLN 56 1HE2 GLN 56 12.209 -4.438 -16.800 425 H GLN 57 H GLN 57 15.592 -2.162 -13.063 426 HA GLN 57 HA GLN 57 17.328 -4.434 -12.340 427 1HB GLN 57 1HB GLN 57 16.407 -4.302 -14.713 428 2HB GLN 57 2HB GLN 57 17.463 -2.920 -14.924 429 1HG GLN 57 1HG GLN 57 18.972 -5.007 -13.707 430 2HG GLN 57 2HG GLN 57 18.132 -5.682 -15.088 431 1HE2 GLN 57 2HE2 GLN 57 18.674 -5.114 -17.139 432 2HE2 GLN 57 1HE2 GLN 57 20.033 -4.085 -17.531 433 H GLN 58 H GLN 58 16.882 -1.167 -11.968 434 HA GLN 58 HA GLN 58 19.778 -0.733 -11.631 435 1HB GLN 58 1HB GLN 58 18.174 0.658 -13.307 436 2HB GLN 58 2HB GLN 58 18.060 1.632 -11.855 437 1HG GLN 58 1HG GLN 58 20.252 2.257 -11.938 438 2HG GLN 58 2HG GLN 58 20.772 0.724 -12.609 439 1HE2 GLN 58 2HE2 GLN 58 21.944 1.355 -14.331 440 2HE2 GLN 58 1HE2 GLN 58 21.303 2.282 -15.669 441 H GLU 59 H GLU 59 19.409 1.759 -10.268 442 HA GLU 59 HA GLU 59 18.526 0.711 -7.670 443 1HB GLU 59 1HB GLU 59 19.940 2.447 -6.703 444 2HB GLU 59 2HB GLU 59 20.849 1.393 -7.766 445 1HG GLU 59 1HG GLU 59 19.898 3.479 -9.384 446 2HG GLU 59 2HG GLU 59 20.484 4.239 -7.919 447 H SER 60 H SER 60 17.011 1.690 -6.444 448 HA SER 60 HA SER 60 16.082 4.338 -6.961 449 1HB SER 60 1HB SER 60 14.936 3.515 -8.847 450 2HB SER 60 2HB SER 60 14.450 2.054 -8.009 451 HG SER 60 HG SER 60 12.746 3.581 -8.167 452 H GLN 61 H GLN 61 16.831 4.079 -4.694 453 HA GLN 61 HA GLN 61 15.614 2.461 -2.807 454 1HB GLN 61 1HB GLN 61 16.035 4.495 -1.256 455 2HB GLN 61 2HB GLN 61 17.397 3.682 -1.998 456 1HG GLN 61 1HG GLN 61 17.842 5.431 -3.424 457 2HG GLN 61 2HG GLN 61 16.170 5.950 -3.479 458 1HE2 GLN 61 2HE2 GLN 61 15.331 6.552 -1.151 459 2HE2 GLN 61 1HE2 GLN 61 16.355 7.685 -0.297 460 H GLN 62 H GLN 62 14.253 5.115 -4.570 461 HA GLN 62 HA GLN 62 12.121 5.690 -2.792 462 1HB GLN 62 1HB GLN 62 12.553 6.195 -5.718 463 2HB GLN 62 2HB GLN 62 11.116 6.725 -4.866 464 1HG GLN 62 1HG GLN 62 13.896 7.432 -3.963 465 2HG GLN 62 2HG GLN 62 12.976 8.435 -5.068 466 1HE2 GLN 62 2HE2 GLN 62 12.069 10.111 -4.121 467 2HE2 GLN 62 1HE2 GLN 62 11.395 10.138 -2.508 468 H LEU 63 H LEU 63 11.927 4.153 -6.004 469 HA LEU 63 HA LEU 63 9.389 2.988 -5.430 470 1HB LEU 63 1HB LEU 63 11.298 3.019 -7.643 471 2HB LEU 63 2HB LEU 63 10.355 1.547 -7.523 472 HG LEU 63 HG LEU 63 8.329 2.705 -7.806 473 1HD1 LEU 63 1HD1 LEU 63 8.747 4.599 -6.336 474 2HD1 LEU 63 2HD1 LEU 63 9.886 5.288 -7.545 475 3HD1 LEU 63 3HD1 LEU 63 8.135 5.157 -7.931 476 1HD2 LEU 63 1HD2 LEU 63 10.371 3.880 -9.688 477 2HD2 LEU 63 2HD2 LEU 63 9.537 2.297 -9.860 478 3HD2 LEU 63 3HD2 LEU 63 8.595 3.824 -9.968 479 H GLN 64 H GLN 64 12.697 1.905 -5.088 480 HA GLN 64 HA GLN 64 12.390 -0.807 -4.787 481 1HB GLN 64 1HB GLN 64 14.588 -0.015 -4.770 482 2HB GLN 64 2HB GLN 64 14.253 1.144 -3.499 483 1HG GLN 64 1HG GLN 64 14.086 -0.582 -1.863 484 2HG GLN 64 2HG GLN 64 14.129 -1.829 -3.094 485 1HE2 GLN 64 2HE2 GLN 64 15.807 -1.792 -0.878 486 2HE2 GLN 64 1HE2 GLN 64 17.450 -1.526 -1.416 487 H GLN 65 H GLN 65 11.404 1.789 -2.677 488 HA GLN 65 HA GLN 65 10.991 0.147 -0.384 489 1HB GLN 65 1HB GLN 65 10.735 2.910 -1.085 490 2HB GLN 65 2HB GLN 65 9.279 2.372 -0.275 491 1HG GLN 65 1HG GLN 65 10.853 1.319 1.458 492 2HG GLN 65 2HG GLN 65 12.104 2.313 0.741 493 1HE2 GLN 65 2HE2 GLN 65 9.317 2.191 2.758 494 2HE2 GLN 65 1HE2 GLN 65 9.303 3.872 3.245 495 H CYS 66 H CYS 66 9.053 1.010 -3.181 496 HA CYS 66 HA CYS 66 6.614 -0.053 -2.153 497 1HB CYS 66 1HB CYS 66 6.369 1.546 -3.839 498 2HB CYS 66 2HB CYS 66 7.558 0.767 -4.863 499 H CYS 67 H CYS 67 9.098 -1.230 -4.458 500 HA CYS 67 HA CYS 67 7.896 -3.744 -4.881 501 1HB CYS 67 1HB CYS 67 9.834 -2.607 -6.130 502 2HB CYS 67 2HB CYS 67 10.852 -3.315 -4.892 503 H ASN 68 H ASN 68 10.304 -2.617 -2.520 504 HA ASN 68 HA ASN 68 10.599 -5.131 -1.216 505 1HB ASN 68 1HB ASN 68 12.201 -3.229 -1.015 506 2HB ASN 68 2HB ASN 68 11.001 -2.377 -0.064 507 1HD2 ASN 68 2HD2 ASN 68 12.162 -2.269 1.800 508 2HD2 ASN 68 1HD2 ASN 68 12.557 -3.670 2.771 509 H GLN 69 H GLN 69 8.251 -2.585 -1.091 510 HA GLN 69 HA GLN 69 7.167 -3.335 1.471 511 1HB GLN 69 1HB GLN 69 6.528 -1.342 -0.618 512 2HB GLN 69 2HB GLN 69 5.217 -1.854 0.425 513 1HG GLN 69 1HG GLN 69 7.759 -1.240 1.788 514 2HG GLN 69 2HG GLN 69 6.950 0.131 1.054 515 1HE2 GLN 69 2HE2 GLN 69 7.003 0.705 3.419 516 2HE2 GLN 69 1HE2 GLN 69 5.599 0.236 4.350 517 H VAL 70 H VAL 70 6.229 -3.759 -1.926 518 HA VAL 70 HA VAL 70 3.899 -5.301 -1.301 519 HB VAL 70 HB VAL 70 5.399 -5.102 -3.889 520 1HG1 VAL 70 1HG1 VAL 70 3.803 -6.949 -3.816 521 2HG1 VAL 70 2HG1 VAL 70 2.521 -5.811 -3.274 522 3HG1 VAL 70 3HG1 VAL 70 3.233 -5.647 -4.917 523 1HG2 VAL 70 1HG2 VAL 70 3.135 -3.376 -2.838 524 2HG2 VAL 70 2HG2 VAL 70 4.841 -2.857 -3.075 525 3HG2 VAL 70 3HG2 VAL 70 3.831 -3.298 -4.495 526 H LYS 71 H LYS 71 7.207 -5.913 -1.153 527 HA LYS 71 HA LYS 71 7.128 -8.675 -1.926 528 1HB LYS 71 1HB LYS 71 9.130 -7.068 -1.903 529 2HB LYS 71 2HB LYS 71 9.219 -7.428 -0.190 530 1HG LYS 71 1HG LYS 71 10.503 -9.174 -0.843 531 2HG LYS 71 2HG LYS 71 8.976 -9.929 -1.251 532 1HD LYS 71 1HD LYS 71 9.176 -9.239 -3.551 533 2HD LYS 71 2HD LYS 71 10.583 -8.261 -3.185 534 1HE LYS 71 1HE LYS 71 10.592 -11.207 -2.637 535 2HE LYS 71 2HE LYS 71 10.948 -10.598 -4.241 536 1HZ LYS 71 1HZ LYS 71 12.692 -9.278 -3.301 537 2HZ LYS 71 2HZ LYS 71 12.355 -9.855 -1.786 538 3HZ LYS 71 3HZ LYS 71 12.927 -10.880 -2.953 539 H GLN 72 H GLN 72 6.160 -6.890 0.816 540 HA GLN 72 HA GLN 72 6.210 -9.287 2.508 541 1HB GLN 72 1HB GLN 72 5.699 -6.401 3.136 542 2HB GLN 72 2HB GLN 72 5.562 -7.697 4.306 543 1HG GLN 72 1HG GLN 72 8.056 -8.055 3.096 544 2HG GLN 72 2HG GLN 72 7.917 -6.330 3.375 545 1HE2 GLN 72 2HE2 GLN 72 7.139 -9.402 5.026 546 2HE2 GLN 72 1HE2 GLN 72 7.721 -8.913 6.602 547 H VAL 73 H VAL 73 4.285 -8.189 0.187 548 HA VAL 73 HA VAL 73 1.742 -8.202 1.485 549 HB VAL 73 HB VAL 73 2.553 -7.210 -0.787 550 1HG1 VAL 73 1HG1 VAL 73 3.162 -9.324 -1.841 551 2HG1 VAL 73 2HG1 VAL 73 1.475 -9.910 -1.633 552 3HG1 VAL 73 3HG1 VAL 73 1.817 -8.526 -2.729 553 1HG2 VAL 73 1HG2 VAL 73 -0.200 -8.391 -0.386 554 2HG2 VAL 73 2HG2 VAL 73 0.375 -6.795 0.207 555 3HG2 VAL 73 3HG2 VAL 73 0.224 -7.096 -1.559 556 H ARG 74 H ARG 74 0.012 -9.773 0.905 557 HA ARG 74 HA ARG 74 0.880 -12.401 1.646 558 1HB ARG 74 1HB ARG 74 -1.790 -11.347 0.757 559 2HB ARG 74 2HB ARG 74 -1.519 -12.987 1.310 560 1HG ARG 74 1HG ARG 74 -0.645 -10.709 3.027 561 2HG ARG 74 2HG ARG 74 -2.340 -11.152 2.992 562 1HD ARG 74 1HD ARG 74 -0.945 -13.566 3.255 563 2HD ARG 74 2HD ARG 74 -0.150 -12.449 4.346 564 HE ARG 74 HE ARG 74 -2.742 -12.009 4.909 565 1HH1 ARG 74 1HH2 ARG 74 -0.985 -14.988 4.633 566 2HH1 ARG 74 2HH2 ARG 74 -1.972 -15.813 5.820 567 1HH2 ARG 74 1HH1 ARG 74 -4.002 -13.071 6.476 568 2HH2 ARG 74 2HH1 ARG 74 -3.654 -14.745 6.848 569 H ASP 75 H ASP 75 -1.101 -11.430 -1.128 570 HA ASP 75 HA ASP 75 0.382 -12.205 -3.269 571 1HB ASP 75 1HB ASP 75 -0.379 -14.557 -1.697 572 2HB ASP 75 2HB ASP 75 -0.865 -14.646 -3.378 573 H GLU 76 H GLU 76 -2.653 -12.400 -1.573 574 HA GLU 76 HA GLU 76 -4.064 -11.914 -4.124 575 1HB GLU 76 1HB GLU 76 -5.959 -13.135 -3.327 576 2HB GLU 76 2HB GLU 76 -4.545 -14.162 -3.190 577 1HG GLU 76 1HG GLU 76 -4.624 -14.189 -0.916 578 2HG GLU 76 2HG GLU 76 -5.158 -12.523 -0.813 579 H CYS 77 H CYS 77 -3.020 -10.576 -1.320 580 HA CYS 77 HA CYS 77 -5.399 -8.926 -0.896 581 1HB CYS 77 1HB CYS 77 -2.819 -9.055 0.606 582 2HB CYS 77 2HB CYS 77 -4.198 -8.059 1.029 583 H GLN 78 H GLN 78 -3.520 -8.932 -3.303 584 HA GLN 78 HA GLN 78 -2.019 -6.547 -3.245 585 1HB GLN 78 1HB GLN 78 -3.219 -7.986 -5.603 586 2HB GLN 78 2HB GLN 78 -1.935 -6.796 -5.670 587 1HG GLN 78 1HG GLN 78 -1.740 -9.376 -4.143 588 2HG GLN 78 2HG GLN 78 -1.167 -9.176 -5.787 589 1HE2 GLN 78 2HE2 GLN 78 0.956 -9.535 -5.396 590 2HE2 GLN 78 1HE2 GLN 78 1.954 -8.417 -4.493 591 H CYS 79 H CYS 79 -4.823 -7.042 -5.380 592 HA CYS 79 HA CYS 79 -5.440 -4.392 -5.742 593 1HB CYS 79 1HB CYS 79 -6.954 -6.909 -5.877 594 2HB CYS 79 2HB CYS 79 -7.892 -5.430 -5.809 595 H GLU 80 H GLU 80 -7.009 -6.572 -3.365 596 HA GLU 80 HA GLU 80 -8.588 -4.872 -2.005 597 1HB GLU 80 1HB GLU 80 -7.967 -7.307 -1.471 598 2HB GLU 80 2HB GLU 80 -6.711 -6.620 -0.460 599 1HG GLU 80 1HG GLU 80 -8.695 -7.053 0.882 600 2HG GLU 80 2HG GLU 80 -8.435 -5.325 0.757 601 H ALA 81 H ALA 81 -5.063 -4.943 -1.775 602 HA ALA 81 HA ALA 81 -4.819 -2.980 0.232 603 1HB ALA 81 1HB ALA 81 -3.027 -4.515 -0.326 604 2HB ALA 81 2HB ALA 81 -2.932 -3.806 -1.974 605 3HB ALA 81 3HB ALA 81 -2.497 -2.811 -0.543 606 H ILE 82 H ILE 82 -4.389 -2.661 -3.315 607 HA ILE 82 HA ILE 82 -4.258 0.101 -3.379 608 HB ILE 82 HB ILE 82 -5.284 -1.844 -5.393 609 1HG1 ILE 82 1HG1 ILE 82 -2.993 -2.232 -4.848 610 2HG1 ILE 82 2HG1 ILE 82 -3.060 -1.463 -6.422 611 1HG2 ILE 82 1HG2 ILE 82 -6.221 0.349 -5.906 612 2HG2 ILE 82 2HG2 ILE 82 -4.582 1.075 -5.785 613 3HG2 ILE 82 3HG2 ILE 82 -4.950 -0.099 -7.096 614 1HD1 ILE 82 1HD1 ILE 82 -2.527 0.717 -5.404 615 2HD1 ILE 82 2HD1 ILE 82 -2.458 -0.071 -3.791 616 3HD1 ILE 82 3HD1 ILE 82 -1.255 -0.504 -5.055 617 H LYS 83 H LYS 83 -7.050 -1.984 -3.059 618 HA LYS 83 HA LYS 83 -8.970 0.060 -3.586 619 1HB LYS 83 1HB LYS 83 -9.371 -2.492 -2.056 620 2HB LYS 83 2HB LYS 83 -10.600 -1.531 -2.853 621 1HG LYS 83 1HG LYS 83 -8.518 -3.307 -4.058 622 2HG LYS 83 2HG LYS 83 -10.233 -3.218 -4.409 623 1HD LYS 83 1HD LYS 83 -8.132 -1.208 -5.215 624 2HD LYS 83 2HD LYS 83 -8.987 -2.306 -6.279 625 1HE LYS 83 1HE LYS 83 -10.868 -0.773 -4.734 626 2HE LYS 83 2HE LYS 83 -9.754 0.301 -5.555 627 1HZ LYS 83 1HZ LYS 83 -10.247 -0.819 -7.585 628 2HZ LYS 83 2HZ LYS 83 -11.300 -1.834 -6.809 629 3HZ LYS 83 3HZ LYS 83 -11.631 -0.214 -6.905 630 H TYR 84 H TYR 84 -6.798 -0.368 -1.135 631 HA TYR 84 HA TYR 84 -8.443 1.084 0.829 632 1HB TYR 84 1HB TYR 84 -7.668 -1.058 1.589 633 2HB TYR 84 2HB TYR 84 -6.039 -0.707 1.048 634 HD1 TYR 84 1HD TYR 84 -4.557 0.785 2.332 635 HD2 TYR 84 2HD TYR 84 -8.555 -0.148 3.646 636 HE1 TYR 84 1HE TYR 84 -4.022 1.702 4.579 637 HE2 TYR 84 2HE TYR 84 -8.029 0.739 5.907 638 HH TYR 84 HH TYR 84 -6.498 1.699 7.175 639 H ILE 85 H ILE 85 -4.989 0.708 0.005 640 HA ILE 85 HA ILE 85 -4.215 3.196 1.011 641 HB ILE 85 HB ILE 85 -2.722 1.300 0.600 642 1HG1 ILE 85 1HG1 ILE 85 -0.810 2.613 -0.151 643 2HG1 ILE 85 2HG1 ILE 85 -1.895 3.847 -0.757 644 1HG2 ILE 85 1HG2 ILE 85 -3.557 0.547 -1.557 645 2HG2 ILE 85 2HG2 ILE 85 -2.977 2.072 -2.314 646 3HG2 ILE 85 3HG2 ILE 85 -1.796 0.896 -1.640 647 1HD1 ILE 85 1HD1 ILE 85 -2.766 4.236 1.524 648 2HD1 ILE 85 2HD1 ILE 85 -1.652 2.969 2.147 649 3HD1 ILE 85 3HD1 ILE 85 -0.987 4.486 1.448 650 H ALA 86 H ALA 86 -4.861 2.198 -2.352 651 HA ALA 86 HA ALA 86 -4.672 4.889 -3.322 652 1HB ALA 86 1HB ALA 86 -4.014 2.995 -4.721 653 2HB ALA 86 2HB ALA 86 -5.690 2.351 -4.625 654 3HB ALA 86 3HB ALA 86 -5.372 3.907 -5.469 655 H GLU 87 H GLU 87 -6.303 5.170 -1.289 656 HA GLU 87 HA GLU 87 -8.671 6.176 -2.433 657 1HB GLU 87 1HB GLU 87 -9.031 3.588 -2.241 658 2HB GLU 87 2HB GLU 87 -9.302 3.960 -0.550 659 1HG GLU 87 1HG GLU 87 -10.808 5.882 -1.740 660 2HG GLU 87 2HG GLU 87 -10.966 4.578 -2.900 661 H ASP 88 H ASP 88 -7.506 4.749 0.635 662 HA ASP 88 HA ASP 88 -8.792 6.417 2.428 663 1HB ASP 88 1HB ASP 88 -7.258 4.461 2.930 664 2HB ASP 88 2HB ASP 88 -5.916 5.557 2.670 665 H GLN 89 H GLN 89 -5.632 6.882 0.801 666 HA GLN 89 HA GLN 89 -5.226 9.483 1.896 667 1HB GLN 89 1HB GLN 89 -3.381 9.624 0.334 668 2HB GLN 89 2HB GLN 89 -3.385 8.059 1.122 669 1HG GLN 89 1HG GLN 89 -4.494 7.085 -0.860 670 2HG GLN 89 2HG GLN 89 -4.425 8.649 -1.649 671 1HE2 GLN 89 2HE2 GLN 89 -2.109 6.811 0.338 672 2HE2 GLN 89 1HE2 GLN 89 -0.804 6.844 -0.826 673 H ILE 90 H ILE 90 -6.521 8.254 -1.182 674 HA ILE 90 HA ILE 90 -6.791 10.726 -2.455 675 HB ILE 90 HB ILE 90 -8.211 8.124 -2.727 676 1HG1 ILE 90 1HG1 ILE 90 -6.644 9.251 -4.932 677 2HG1 ILE 90 2HG1 ILE 90 -5.726 8.860 -3.491 678 1HG2 ILE 90 1HG2 ILE 90 -9.831 9.837 -3.371 679 2HG2 ILE 90 2HG2 ILE 90 -8.605 10.586 -4.451 680 3HG2 ILE 90 3HG2 ILE 90 -9.238 8.943 -4.814 681 1HD1 ILE 90 1HD1 ILE 90 -6.630 6.565 -3.509 682 2HD1 ILE 90 2HD1 ILE 90 -7.572 6.965 -4.988 683 3HD1 ILE 90 3HD1 ILE 90 -5.775 6.948 -5.043 684 H GLN 91 H GLN 91 -8.683 9.187 0.040 685 HA GLN 91 HA GLN 91 -10.840 11.099 -0.198 686 1HB GLN 91 1HB GLN 91 -10.304 8.778 1.618 687 2HB GLN 91 2HB GLN 91 -11.638 9.881 1.885 688 1HG GLN 91 1HG GLN 91 -12.720 9.250 -0.086 689 2HG GLN 91 2HG GLN 91 -11.256 8.594 -0.790 690 1HE2 GLN 91 2HE2 GLN 91 -13.905 7.412 -0.487 691 2HE2 GLN 91 1HE2 GLN 91 -13.701 5.949 0.451 692 H GLN 92 H GLN 92 -8.047 10.443 1.857 693 HA GLN 92 HA GLN 92 -8.726 12.447 3.782 694 1HB GLN 92 1HB GLN 92 -7.068 10.331 3.843 695 2HB GLN 92 2HB GLN 92 -5.915 11.609 3.512 696 1HG GLN 92 1HG GLN 92 -7.945 12.068 5.642 697 2HG GLN 92 2HG GLN 92 -6.608 10.992 5.997 698 1HE2 GLN 92 2HE2 GLN 92 -4.675 11.800 6.547 699 2HE2 GLN 92 1HE2 GLN 92 -4.243 13.493 6.460 700 H GLY 93 H GLY 93 -6.048 12.248 1.430 701 1HA GLY 93 1HA GLY 93 -5.239 14.900 1.552 702 2HA GLY 93 2HA GLY 93 -5.015 13.824 0.187 703 H GLN 94 H GLN 94 -5.240 16.187 -0.682 704 HA GLN 94 HA GLN 94 -8.030 16.952 -1.061 705 1HB GLN 94 1HB GLN 94 -5.534 18.294 -1.129 706 2HB GLN 94 2HB GLN 94 -6.321 18.503 -2.680 707 1HG GLN 94 1HG GLN 94 -8.172 19.561 -1.743 708 2HG GLN 94 2HG GLN 94 -7.874 18.886 -0.154 709 1HE2 GLN 94 2HE2 GLN 94 -8.061 20.942 0.791 710 2HE2 GLN 94 1HE2 GLN 94 -6.756 22.102 0.692 711 H LEU 95 H LEU 95 -7.536 14.417 -2.052 712 HA LEU 95 HA LEU 95 -7.221 14.739 -4.934 713 1HB LEU 95 1HB LEU 95 -7.675 12.198 -3.445 714 2HB LEU 95 2HB LEU 95 -7.030 12.407 -5.060 715 HG LEU 95 HG LEU 95 -5.202 11.836 -3.765 716 1HD1 LEU 95 1HD1 LEU 95 -4.707 13.729 -5.212 717 2HD1 LEU 95 2HD1 LEU 95 -5.197 14.861 -3.905 718 3HD1 LEU 95 3HD1 LEU 95 -3.746 13.821 -3.696 719 1HD2 LEU 95 1HD2 LEU 95 -6.105 13.831 -1.689 720 2HD2 LEU 95 2HD2 LEU 95 -6.197 12.039 -1.568 721 3HD2 LEU 95 3HD2 LEU 95 -4.596 12.855 -1.623 722 H HIS 96 H HIS 96 -9.550 15.654 -3.145 723 HA HIS 96 HA HIS 96 -11.701 14.230 -4.542 724 1HB HIS 96 1HB HIS 96 -11.460 15.646 -1.977 725 2HB HIS 96 2HB HIS 96 -13.000 15.759 -2.807 726 HD1 HIS 96 1HD HIS 96 -14.353 14.285 -1.194 727 HD2 HIS 96 2HD HIS 96 -10.883 12.474 -2.739 728 HE1 HIS 96 1HE HIS 96 -14.471 11.817 -0.502 729 HE2 HIS 96 2HE HIS 96 -12.389 10.713 -1.504 730 H GLY 97 H GLY 97 -13.688 15.908 -4.742 731 1HA GLY 97 1HA GLY 97 -14.504 17.807 -5.772 732 2HA GLY 97 2HA GLY 97 -12.892 18.494 -5.773 733 H GLU 98 H GLU 98 -11.316 17.174 -7.259 734 HA GLU 98 HA GLU 98 -12.290 15.828 -9.514 735 1HB GLU 98 1HB GLU 98 -13.325 18.093 -9.933 736 2HB GLU 98 2HB GLU 98 -11.696 18.696 -10.161 737 1HG GLU 98 1HG GLU 98 -11.336 17.286 -12.041 738 2HG GLU 98 2HG GLU 98 -12.770 16.341 -11.694 739 H GLU 99 H GLU 99 -10.174 15.653 -7.672 740 HA GLU 99 HA GLU 99 -7.901 15.777 -9.522 741 1HB GLU 99 1HB GLU 99 -6.562 16.372 -7.323 742 2HB GLU 99 2HB GLU 99 -7.196 17.602 -8.397 743 1HG GLU 99 1HG GLU 99 -9.239 17.698 -6.967 744 2HG GLU 99 2HG GLU 99 -8.444 16.610 -5.847 745 H SER 100 H SER 100 -9.721 13.678 -8.617 746 HA SER 100 HA SER 100 -8.027 12.045 -6.873 747 1HB SER 100 1HB SER 100 -9.958 11.158 -6.223 748 2HB SER 100 2HB SER 100 -10.800 12.222 -7.332 749 HG SER 100 HG SER 100 -11.287 10.014 -7.694 750 H GLU 101 H GLU 101 -9.471 11.956 -10.127 751 HA GLU 101 HA GLU 101 -8.341 9.510 -10.920 752 1HB GLU 101 1HB GLU 101 -10.071 10.426 -12.257 753 2HB GLU 101 2HB GLU 101 -9.200 11.931 -12.475 754 1HG GLU 101 1HG GLU 101 -7.962 11.107 -14.179 755 2HG GLU 101 2HG GLU 101 -7.731 9.562 -13.385 756 H ARG 102 H ARG 102 -6.980 12.723 -10.620 757 HA ARG 102 HA ARG 102 -4.677 12.270 -12.232 758 1HB ARG 102 1HB ARG 102 -5.186 14.515 -11.808 759 2HB ARG 102 2HB ARG 102 -5.390 14.238 -10.090 760 1HG ARG 102 1HG ARG 102 -2.729 13.632 -11.248 761 2HG ARG 102 2HG ARG 102 -3.168 15.322 -11.104 762 1HD ARG 102 1HD ARG 102 -3.700 13.666 -8.713 763 2HD ARG 102 2HD ARG 102 -2.009 13.907 -9.103 764 HE ARG 102 HE ARG 102 -3.724 15.816 -7.912 765 1HH1 ARG 102 1HH2 ARG 102 -1.306 15.624 -10.447 766 2HH1 ARG 102 2HH2 ARG 102 -0.861 17.310 -10.303 767 1HH2 ARG 102 1HH1 ARG 102 -3.138 17.988 -7.759 768 2HH2 ARG 102 2HH1 ARG 102 -1.886 18.627 -8.801 769 H VAL 103 H VAL 103 -5.581 11.397 -9.000 770 HA VAL 103 HA VAL 103 -2.883 10.838 -8.143 771 HB VAL 103 HB VAL 103 -5.610 10.512 -7.007 772 1HG1 VAL 103 1HG1 VAL 103 -4.504 8.401 -6.459 773 2HG1 VAL 103 2HG1 VAL 103 -3.096 9.315 -5.817 774 3HG1 VAL 103 3HG1 VAL 103 -4.692 9.434 -4.999 775 1HG2 VAL 103 1HG2 VAL 103 -3.079 11.866 -6.049 776 2HG2 VAL 103 2HG2 VAL 103 -4.495 12.670 -6.810 777 3HG2 VAL 103 3HG2 VAL 103 -4.663 11.888 -5.200 778 H ALA 104 H ALA 104 -5.563 9.095 -9.585 779 HA ALA 104 HA ALA 104 -4.642 6.473 -9.125 780 1HB ALA 104 1HB ALA 104 -6.913 6.999 -9.901 781 2HB ALA 104 2HB ALA 104 -6.234 7.610 -11.449 782 3HB ALA 104 3HB ALA 104 -6.095 5.866 -11.034 783 H GLN 105 H GLN 105 -3.731 8.943 -11.468 784 HA GLN 105 HA GLN 105 -2.204 7.181 -13.120 785 1HB GLN 105 1HB GLN 105 -2.496 10.129 -12.844 786 2HB GLN 105 2HB GLN 105 -1.154 9.487 -13.770 787 1HG GLN 105 1HG GLN 105 -2.509 9.105 -15.515 788 2HG GLN 105 2HG GLN 105 -3.532 8.088 -14.520 789 1HE2 GLN 105 2HE2 GLN 105 -2.758 11.572 -14.605 790 2HE2 GLN 105 1HE2 GLN 105 -4.413 12.132 -14.662 791 H ARG 106 H ARG 106 -1.535 9.180 -10.293 792 HA ARG 106 HA ARG 106 1.263 9.049 -10.345 793 1HB ARG 106 1HB ARG 106 -0.799 9.734 -8.445 794 2HB ARG 106 2HB ARG 106 0.580 8.968 -7.682 795 1HG ARG 106 1HG ARG 106 1.257 11.165 -7.644 796 2HG ARG 106 2HG ARG 106 1.934 10.658 -9.178 797 1HD ARG 106 1HD ARG 106 -0.788 11.916 -8.915 798 2HD ARG 106 2HD ARG 106 0.667 12.840 -9.233 799 HE ARG 106 HE ARG 106 0.175 10.621 -11.072 800 1HH1 ARG 106 1HH2 ARG 106 -0.251 14.041 -10.481 801 2HH1 ARG 106 2HH2 ARG 106 -0.510 14.411 -12.170 802 1HH2 ARG 106 1HH1 ARG 106 -0.164 11.112 -13.245 803 2HH2 ARG 106 2HH1 ARG 106 -0.462 12.771 -13.716 804 H ALA 107 H ALA 107 -0.939 7.075 -8.338 805 HA ALA 107 HA ALA 107 0.917 5.285 -7.361 806 1HB ALA 107 1HB ALA 107 -1.414 5.423 -6.622 807 2HB ALA 107 2HB ALA 107 -1.944 4.757 -8.206 808 3HB ALA 107 3HB ALA 107 -0.979 3.740 -7.080 809 H GLY 108 H GLY 108 -1.045 4.952 -10.333 810 1HA GLY 108 1HA GLY 108 -0.228 2.592 -11.354 811 2HA GLY 108 2HA GLY 108 -0.445 4.018 -12.348 812 H GLU 109 H GLU 109 1.706 5.546 -11.263 813 HA GLU 109 HA GLU 109 3.853 4.787 -12.818 814 1HB GLU 109 1HB GLU 109 3.955 6.396 -10.285 815 2HB GLU 109 2HB GLU 109 5.183 6.358 -11.534 816 1HG GLU 109 1HG GLU 109 3.433 7.172 -13.147 817 2HG GLU 109 2HG GLU 109 2.372 7.408 -11.772 818 H ILE 110 H ILE 110 3.626 4.402 -9.277 819 HA ILE 110 HA ILE 110 5.952 2.760 -9.162 820 HB ILE 110 HB ILE 110 3.822 2.903 -7.075 821 1HG1 ILE 110 1HG1 ILE 110 4.072 5.171 -7.385 822 2HG1 ILE 110 2HG1 ILE 110 5.326 4.850 -6.204 823 1HG2 ILE 110 1HG2 ILE 110 5.610 1.285 -6.691 824 2HG2 ILE 110 2HG2 ILE 110 6.833 2.579 -6.937 825 3HG2 ILE 110 3HG2 ILE 110 5.724 2.647 -5.523 826 1HD1 ILE 110 1HD1 ILE 110 7.018 4.721 -8.003 827 2HD1 ILE 110 2HD1 ILE 110 5.731 5.050 -9.214 828 3HD1 ILE 110 3HD1 ILE 110 6.174 6.307 -8.007 829 H VAL 111 H VAL 111 2.552 2.215 -9.638 830 HA VAL 111 HA VAL 111 2.385 -0.493 -9.034 831 HB VAL 111 HB VAL 111 0.959 1.066 -11.150 832 1HG1 VAL 111 1HG1 VAL 111 0.745 -1.336 -11.548 833 2HG1 VAL 111 2HG1 VAL 111 0.229 -1.569 -9.841 834 3HG1 VAL 111 3HG1 VAL 111 -0.811 -0.639 -10.976 835 1HG2 VAL 111 1HG2 VAL 111 0.218 0.492 -8.268 836 2HG2 VAL 111 2HG2 VAL 111 0.715 2.082 -8.942 837 3HG2 VAL 111 3HG2 VAL 111 -0.828 1.325 -9.471 838 H SER 112 H SER 112 2.785 0.930 -12.289 839 HA SER 112 HA SER 112 3.506 -1.433 -13.573 840 1HB SER 112 1HB SER 112 4.250 -0.111 -15.363 841 2HB SER 112 2HB SER 112 2.960 0.809 -14.614 842 HG SER 112 HG SER 112 4.779 2.094 -15.107 843 H SER 113 H SER 113 5.277 0.446 -11.315 844 HA SER 113 HA SER 113 7.879 -0.426 -12.150 845 1HB SER 113 1HB SER 113 7.244 0.585 -9.424 846 2HB SER 113 2HB SER 113 8.713 0.775 -10.359 847 HG SER 113 HG SER 113 7.474 2.661 -10.285 848 H CYS 114 H CYS 114 6.244 -0.949 -9.026 849 HA CYS 114 HA CYS 114 6.556 -3.806 -9.206 850 1HB CYS 114 1HB CYS 114 8.703 -2.394 -8.204 851 2HB CYS 114 2HB CYS 114 7.832 -2.920 -6.777 852 H GLY 115 H GLY 115 4.427 -1.854 -8.980 853 1HA GLY 115 1HA GLY 115 3.292 -2.676 -6.376 854 2HA GLY 115 2HA GLY 115 3.111 -1.047 -6.995 855 H VAL 116 H VAL 116 3.049 -4.002 -8.923 856 HA VAL 116 HA VAL 116 0.562 -3.262 -10.117 857 HB VAL 116 HB VAL 116 2.131 -4.317 -11.488 858 1HG1 VAL 116 1HG1 VAL 116 3.484 -5.429 -9.791 859 2HG1 VAL 116 2HG1 VAL 116 2.165 -6.622 -9.522 860 3HG1 VAL 116 3HG1 VAL 116 3.029 -6.577 -11.099 861 1HG2 VAL 116 1HG2 VAL 116 -0.064 -6.304 -10.846 862 2HG2 VAL 116 2HG2 VAL 116 -0.183 -4.911 -11.977 863 3HG2 VAL 116 3HG2 VAL 116 0.918 -6.282 -12.351 864 H ARG 117 H ARG 117 -1.364 -3.471 -9.224 865 HA ARG 117 HA ARG 117 -1.981 -5.950 -7.787 866 1HB ARG 117 1HB ARG 117 -2.818 -3.446 -6.448 867 2HB ARG 117 2HB ARG 117 -2.518 -5.032 -5.768 868 1HG ARG 117 1HG ARG 117 -0.328 -3.294 -6.834 869 2HG ARG 117 2HG ARG 117 -0.867 -3.219 -5.168 870 1HD ARG 117 1HD ARG 117 0.105 -5.179 -4.627 871 2HD ARG 117 2HD ARG 117 -0.255 -5.906 -6.180 872 HE ARG 117 HE ARG 117 1.854 -3.848 -6.109 873 1HH1 ARG 117 1HH2 ARG 117 1.101 -7.274 -6.214 874 2HH1 ARG 117 2HH2 ARG 117 2.688 -7.701 -6.815 875 1HH2 ARG 117 1HH1 ARG 117 3.866 -4.460 -6.909 876 2HH2 ARG 117 2HH1 ARG 117 4.214 -6.150 -7.198 877 H CYS 118 H CYS 118 -3.497 -2.749 -7.991 878 HA CYS 118 HA CYS 118 -5.657 -3.955 -9.595 879 1HB CYS 118 1HB CYS 118 -5.877 -2.925 -6.975 880 2HB CYS 118 2HB CYS 118 -6.679 -1.801 -8.054 881 H MET 119 H MET 119 -3.141 -1.876 -9.499 882 HA MET 119 HA MET 119 -4.431 0.193 -11.127 883 1HB MET 119 1HB MET 119 -1.890 -0.036 -9.629 884 2HB MET 119 2HB MET 119 -2.030 1.131 -10.928 885 1HG MET 119 1HG MET 119 -4.333 1.297 -9.253 886 2HG MET 119 2HG MET 119 -2.887 1.407 -8.271 887 1HE MET 119 1HE MET 119 -5.047 2.936 -11.095 888 2HE MET 119 2HE MET 119 -5.390 3.523 -9.431 889 3HE MET 119 3HE MET 119 -4.748 4.657 -10.669 890 H ARG 120 H ARG 120 -3.442 -2.746 -11.782 891 HA ARG 120 HA ARG 120 -2.755 -2.117 -14.510 892 1HB ARG 120 1HB ARG 120 -0.539 -1.905 -13.699 893 2HB ARG 120 2HB ARG 120 -0.720 -3.281 -12.628 894 1HG ARG 120 1HG ARG 120 -0.262 -4.775 -14.274 895 2HG ARG 120 2HG ARG 120 -1.189 -3.887 -15.467 896 1HD ARG 120 1HD ARG 120 1.519 -3.009 -14.495 897 2HD ARG 120 2HD ARG 120 1.284 -4.005 -15.917 898 HE ARG 120 HE ARG 120 -0.313 -1.590 -15.980 899 1HH1 ARG 120 1HH2 ARG 120 2.861 -2.888 -16.655 900 2HH1 ARG 120 2HH2 ARG 120 3.240 -1.644 -17.825 901 1HH2 ARG 120 1HH1 ARG 120 0.191 -0.002 -17.478 902 2HH2 ARG 120 2HH1 ARG 120 1.742 -0.024 -18.286 903 H GLN 121 H GLN 121 -2.728 -4.608 -11.978 904 HA GLN 121 HA GLN 121 -4.292 -6.323 -13.795 905 1HB GLN 121 1HB GLN 121 -1.683 -6.833 -13.396 906 2HB GLN 121 2HB GLN 121 -2.372 -7.700 -12.037 907 1HG GLN 121 1HG GLN 121 -3.918 -8.851 -13.610 908 2HG GLN 121 2HG GLN 121 -3.112 -8.048 -14.943 909 1HE2 GLN 121 2HE2 GLN 121 -1.374 -8.963 -15.833 910 2HE2 GLN 121 1HE2 GLN 121 -0.491 -10.312 -15.150 911 H THR 122 H THR 122 -4.083 -8.479 -11.751 912 HA THR 122 HA THR 122 -5.424 -7.395 -9.431 913 HB THR 122 HB THR 122 -7.029 -9.296 -11.101 914 HG1 THR 122 1HG THR 122 -8.057 -7.380 -11.886 915 1HG2 THR 122 1HG2 THR 122 -7.746 -8.818 -8.730 916 2HG2 THR 122 2HG2 THR 122 -7.790 -7.072 -9.154 917 3HG2 THR 122 3HG2 THR 122 -8.921 -8.221 -9.951 918 H ARG 123 H ARG 123 -6.675 -9.840 -8.675 919 HA ARG 123 HA ARG 123 -4.655 -11.105 -7.301 920 1HB ARG 123 1HB ARG 123 -7.277 -12.174 -8.290 921 2HB ARG 123 2HB ARG 123 -6.220 -13.086 -7.231 922 1HG ARG 123 1HG ARG 123 -6.980 -11.971 -5.450 923 2HG ARG 123 2HG ARG 123 -6.558 -10.440 -6.188 924 1HD ARG 123 1HD ARG 123 -8.689 -10.017 -6.806 925 2HD ARG 123 2HD ARG 123 -8.966 -11.672 -7.310 926 HE ARG 123 HE ARG 123 -8.839 -11.319 -4.424 927 1HH1 ARG 123 1HH2 ARG 123 -10.939 -11.258 -7.216 928 2HH1 ARG 123 2HH2 ARG 123 -12.381 -11.572 -6.277 929 1HH2 ARG 123 1HH1 ARG 123 -10.702 -11.735 -3.233 930 2HH2 ARG 123 2HH1 ARG 123 -12.247 -11.839 -4.045 931 H THR 124 H THR 124 -2.942 -12.184 -7.886 932 HA THR 124 HA THR 124 -2.999 -13.605 -10.487 933 HB THR 124 HB THR 124 -0.532 -13.267 -10.456 934 HG1 THR 124 1HG THR 124 0.228 -11.909 -8.739 935 1HG2 THR 124 1HG2 THR 124 -1.978 -11.430 -11.423 936 2HG2 THR 124 2HG2 THR 124 -2.035 -10.694 -9.784 937 3HG2 THR 124 3HG2 THR 124 -0.470 -10.811 -10.662 938 H ASN 125 H ASN 125 -1.969 -13.816 -7.103 939 HA ASN 125 HA ASN 125 -1.347 -15.621 -5.832 940 1HB ASN 125 1HB ASN 125 -3.414 -17.114 -7.426 941 2HB ASN 125 2HB ASN 125 -2.944 -17.383 -5.760 942 1HD2 ASN 125 2HD2 ASN 125 -5.107 -17.289 -5.136 943 2HD2 ASN 125 1HD2 ASN 125 -5.933 -15.754 -4.998 Start of MODEL 11 1 1H ALA 1 1H ALA 1 11.599 -9.115 -7.930 2 2H ALA 1 2H ALA 1 13.221 -8.830 -8.105 3 3H ALA 1 3H ALA 1 12.198 -7.585 -7.724 4 HA ALA 1 HA ALA 1 11.095 -7.810 -9.814 5 1HB ALA 1 1HB ALA 1 12.902 -6.175 -9.580 6 2HB ALA 1 2HB ALA 1 14.103 -7.448 -9.990 7 3HB ALA 1 3HB ALA 1 12.911 -6.904 -11.222 8 H GLU 2 H GLU 2 10.858 -10.343 -9.255 9 HA GLU 2 HA GLU 2 11.653 -11.609 -11.769 10 1HB GLU 2 1HB GLU 2 12.866 -12.301 -9.181 11 2HB GLU 2 2HB GLU 2 12.291 -13.661 -10.123 12 1HG GLU 2 1HG GLU 2 13.610 -11.988 -11.949 13 2HG GLU 2 2HG GLU 2 14.637 -12.032 -10.531 14 H PHE 3 H PHE 3 10.610 -13.723 -12.083 15 HA PHE 3 HA PHE 3 7.866 -13.686 -11.555 16 1HB PHE 3 1HB PHE 3 7.946 -16.023 -12.322 17 2HB PHE 3 2HB PHE 3 8.864 -14.944 -13.352 18 HD1 PHE 3 1HD PHE 3 11.190 -15.262 -13.732 19 HD2 PHE 3 2HD PHE 3 9.180 -17.491 -10.646 20 HE1 PHE 3 1HE PHE 3 13.191 -16.715 -13.474 21 HE2 PHE 3 2HE PHE 3 11.199 -18.915 -10.354 22 HZ PHE 3 HZ PHE 3 13.212 -18.527 -11.769 23 H MET 4 H MET 4 6.585 -15.329 -10.413 24 HA MET 4 HA MET 4 7.647 -16.879 -8.292 25 1HB MET 4 1HB MET 4 7.390 -14.098 -7.718 26 2HB MET 4 2HB MET 4 6.193 -14.972 -6.783 27 1HG MET 4 1HG MET 4 7.833 -16.296 -5.719 28 2HG MET 4 2HG MET 4 9.064 -15.847 -6.883 29 1HE MET 4 1HE MET 4 6.369 -13.768 -4.927 30 2HE MET 4 2HE MET 4 7.033 -14.949 -3.746 31 3HE MET 4 3HE MET 4 7.336 -13.191 -3.525 32 H GLU 5 H GLU 5 5.986 -17.823 -6.920 33 HA GLU 5 HA GLU 5 3.490 -18.124 -8.401 34 1HB GLU 5 1HB GLU 5 3.032 -19.938 -6.904 35 2HB GLU 5 2HB GLU 5 4.698 -20.061 -7.437 36 1HG GLU 5 1HG GLU 5 5.369 -18.901 -5.305 37 2HG GLU 5 2HG GLU 5 3.706 -19.053 -4.773 38 H SER 6 H SER 6 1.404 -17.792 -7.564 39 HA SER 6 HA SER 6 0.642 -16.839 -5.103 40 1HB SER 6 1HB SER 6 2.045 -14.750 -6.575 41 2HB SER 6 2HB SER 6 0.428 -14.285 -6.088 42 HG SER 6 HG SER 6 1.994 -13.845 -4.459 43 H LYS 7 H LYS 7 -1.381 -17.500 -5.314 44 HA LYS 7 HA LYS 7 -3.037 -16.296 -7.420 45 1HB LYS 7 1HB LYS 7 -4.016 -18.440 -8.022 46 2HB LYS 7 2HB LYS 7 -2.296 -18.415 -8.352 47 1HG LYS 7 1HG LYS 7 -3.184 -19.473 -5.722 48 2HG LYS 7 2HG LYS 7 -3.452 -20.471 -7.137 49 1HD LYS 7 1HD LYS 7 -1.099 -20.461 -7.660 50 2HD LYS 7 2HD LYS 7 -0.777 -19.302 -6.387 51 1HE LYS 7 1HE LYS 7 -0.152 -21.465 -5.565 52 2HE LYS 7 2HE LYS 7 -1.628 -20.999 -4.744 53 1HZ LYS 7 1HZ LYS 7 -2.856 -22.320 -6.304 54 2HZ LYS 7 2HZ LYS 7 -1.461 -22.762 -7.080 55 3HZ LYS 7 3HZ LYS 7 -1.731 -23.250 -5.522 56 H GLY 8 H GLY 8 -5.155 -15.957 -6.873 57 1HA GLY 8 1HA GLY 8 -5.628 -15.921 -3.990 58 2HA GLY 8 2HA GLY 8 -6.647 -15.222 -5.231 59 H GLU 9 H GLU 9 -8.438 -16.237 -5.833 60 HA GLU 9 HA GLU 9 -8.617 -19.152 -5.485 61 1HB GLU 9 1HB GLU 9 -9.396 -17.992 -3.346 62 2HB GLU 9 2HB GLU 9 -10.740 -17.388 -4.293 63 1HG GLU 9 1HG GLU 9 -11.617 -19.350 -3.394 64 2HG GLU 9 2HG GLU 9 -11.057 -19.882 -4.967 65 H ARG 10 H ARG 10 -10.652 -16.275 -6.154 66 HA ARG 10 HA ARG 10 -11.071 -17.113 -8.893 67 1HB ARG 10 1HB ARG 10 -12.706 -18.434 -7.335 68 2HB ARG 10 2HB ARG 10 -13.573 -16.914 -7.275 69 1HG ARG 10 1HG ARG 10 -12.844 -17.465 -9.987 70 2HG ARG 10 2HG ARG 10 -13.650 -18.870 -9.316 71 1HD ARG 10 1HD ARG 10 -15.559 -17.795 -9.830 72 2HD ARG 10 2HD ARG 10 -15.225 -16.815 -8.416 73 HE ARG 10 HE ARG 10 -13.819 -15.626 -10.505 74 1HH1 ARG 10 1HH2 ARG 10 -17.172 -16.293 -9.744 75 2HH1 ARG 10 2HH2 ARG 10 -17.764 -14.952 -10.698 76 1HH2 ARG 10 1HH1 ARG 10 -14.613 -13.938 -11.739 77 2HH2 ARG 10 2HH1 ARG 10 -16.335 -13.638 -11.812 78 H GLU 11 H GLU 11 -12.839 -15.254 -6.440 79 HA GLU 11 HA GLU 11 -12.131 -12.759 -7.782 80 1HB GLU 11 1HB GLU 11 -14.572 -14.009 -8.348 81 2HB GLU 11 2HB GLU 11 -14.947 -12.696 -7.250 82 1HG GLU 11 1HG GLU 11 -13.123 -11.569 -8.998 83 2HG GLU 11 2HG GLU 11 -14.095 -12.594 -10.033 84 H GLY 12 H GLY 12 -13.419 -10.899 -6.542 85 1HA GLY 12 1HA GLY 12 -14.366 -10.720 -4.119 86 2HA GLY 12 2HA GLY 12 -12.781 -11.335 -3.691 87 H SER 13 H SER 13 -14.146 -8.714 -3.197 88 HA SER 13 HA SER 13 -12.395 -6.870 -4.675 89 1HB SER 13 1HB SER 13 -14.920 -6.518 -4.026 90 2HB SER 13 2HB SER 13 -14.223 -5.978 -2.512 91 HG SER 13 HG SER 13 -14.492 -4.264 -4.015 92 H SER 14 H SER 14 -12.659 -8.459 -1.593 93 HA SER 14 HA SER 14 -10.048 -7.586 -0.812 94 1HB SER 14 1HB SER 14 -10.783 -6.541 1.309 95 2HB SER 14 2HB SER 14 -11.158 -5.597 -0.119 96 HG SER 14 HG SER 14 -12.877 -5.645 1.376 97 H SER 15 H SER 15 -9.297 -8.688 1.075 98 HA SER 15 HA SER 15 -10.245 -11.348 1.282 99 1HB SER 15 1HB SER 15 -7.974 -10.084 1.987 100 2HB SER 15 2HB SER 15 -8.729 -10.254 3.559 101 HG SER 15 HG SER 15 -7.427 -12.054 3.012 102 H GLN 16 H GLN 16 -10.148 -11.742 4.149 103 HA GLN 16 HA GLN 16 -12.871 -10.827 4.783 104 1HB GLN 16 1HB GLN 16 -12.175 -13.232 4.929 105 2HB GLN 16 2HB GLN 16 -11.159 -12.780 6.283 106 1HG GLN 16 1HG GLN 16 -12.951 -13.073 7.594 107 2HG GLN 16 2HG GLN 16 -13.621 -11.630 6.861 108 1HE2 GLN 16 2HE2 GLN 16 -15.701 -11.946 6.380 109 2HE2 GLN 16 1HE2 GLN 16 -16.352 -13.386 5.629 110 H GLN 17 H GLN 17 -9.578 -10.216 5.611 111 HA GLN 17 HA GLN 17 -10.154 -7.943 7.143 112 1HB GLN 17 1HB GLN 17 -10.368 -10.376 8.645 113 2HB GLN 17 2HB GLN 17 -8.985 -9.466 9.215 114 1HG GLN 17 1HG GLN 17 -10.557 -7.436 9.203 115 2HG GLN 17 2HG GLN 17 -11.856 -8.605 9.078 116 1HE2 GLN 17 2HE2 GLN 17 -11.754 -6.882 11.201 117 2HE2 GLN 17 1HE2 GLN 17 -11.344 -7.759 12.658 118 H CYS 18 H CYS 18 -8.461 -8.874 4.964 119 HA CYS 18 HA CYS 18 -5.786 -9.053 6.069 120 1HB CYS 18 1HB CYS 18 -6.789 -9.835 3.752 121 2HB CYS 18 2HB CYS 18 -6.298 -8.220 3.280 122 H ARG 19 H ARG 19 -8.060 -6.514 5.161 123 HA ARG 19 HA ARG 19 -6.624 -4.348 4.462 124 1HB ARG 19 1HB ARG 19 -9.078 -4.782 5.692 125 2HB ARG 19 2HB ARG 19 -8.249 -3.649 6.742 126 1HG ARG 19 1HG ARG 19 -9.326 -2.281 5.191 127 2HG ARG 19 2HG ARG 19 -7.681 -2.376 4.597 128 1HD ARG 19 1HD ARG 19 -8.446 -3.132 2.641 129 2HD ARG 19 2HD ARG 19 -9.111 -4.535 3.453 130 HE ARG 19 HE ARG 19 -10.541 -2.126 2.617 131 1HH1 ARG 19 1HH2 ARG 19 -10.667 -5.025 4.577 132 2HH1 ARG 19 2HH2 ARG 19 -12.412 -4.994 4.686 133 1HH2 ARG 19 1HH1 ARG 19 -12.778 -2.124 2.792 134 2HH2 ARG 19 2HH1 ARG 19 -13.578 -3.389 3.699 135 H GLN 20 H GLN 20 -6.884 -5.490 7.821 136 HA GLN 20 HA GLN 20 -5.208 -3.684 9.069 137 1HB GLN 20 1HB GLN 20 -4.580 -5.743 10.517 138 2HB GLN 20 2HB GLN 20 -6.208 -5.098 10.552 139 1HG GLN 20 1HG GLN 20 -7.090 -6.936 9.622 140 2HG GLN 20 2HG GLN 20 -5.766 -7.112 8.487 141 1HE2 GLN 20 2HE2 GLN 20 -3.591 -7.432 10.049 142 2HE2 GLN 20 1HE2 GLN 20 -3.743 -8.867 11.038 143 H GLU 21 H GLU 21 -3.946 -6.979 8.352 144 HA GLU 21 HA GLU 21 -1.282 -6.208 8.383 145 1HB GLU 21 1HB GLU 21 -0.782 -8.306 7.623 146 2HB GLU 21 2HB GLU 21 -2.381 -8.531 8.306 147 1HG GLU 21 1HG GLU 21 -3.112 -7.932 5.826 148 2HG GLU 21 2HG GLU 21 -1.515 -8.558 5.469 149 H VAL 22 H VAL 22 -3.575 -5.782 5.836 150 HA VAL 22 HA VAL 22 -1.846 -5.445 3.659 151 HB VAL 22 HB VAL 22 -4.596 -4.501 4.239 152 1HG1 VAL 22 1HG1 VAL 22 -3.657 -2.839 2.774 153 2HG1 VAL 22 2HG1 VAL 22 -3.098 -4.132 1.657 154 3HG1 VAL 22 3HG1 VAL 22 -4.857 -3.856 1.903 155 1HG2 VAL 22 1HG2 VAL 22 -3.554 -6.602 2.349 156 2HG2 VAL 22 2HG2 VAL 22 -4.412 -6.880 3.904 157 3HG2 VAL 22 3HG2 VAL 22 -5.274 -6.109 2.527 158 H GLN 23 H GLN 23 -3.327 -3.111 5.908 159 HA GLN 23 HA GLN 23 -1.742 -0.977 4.797 160 1HB GLN 23 1HB GLN 23 -2.847 0.419 6.281 161 2HB GLN 23 2HB GLN 23 -4.022 -0.784 5.787 162 1HG GLN 23 1HG GLN 23 -4.452 -1.189 7.922 163 2HG GLN 23 2HG GLN 23 -2.811 -1.768 8.124 164 1HE2 GLN 23 2HE2 GLN 23 -4.552 1.327 7.822 165 2HE2 GLN 23 1HE2 GLN 23 -3.697 2.134 9.117 166 H ARG 24 H ARG 24 0.015 -3.009 5.522 167 HA ARG 24 HA ARG 24 1.632 -1.610 7.514 168 1HB ARG 24 1HB ARG 24 0.776 -4.475 7.852 169 2HB ARG 24 2HB ARG 24 2.004 -3.674 8.810 170 1HG ARG 24 1HG ARG 24 0.192 -1.991 9.423 171 2HG ARG 24 2HG ARG 24 -0.944 -3.143 8.751 172 1HD ARG 24 1HD ARG 24 0.893 -3.549 11.083 173 2HD ARG 24 2HD ARG 24 -0.858 -3.474 11.106 174 HE ARG 24 HE ARG 24 0.266 -5.586 9.441 175 1HH1 ARG 24 1HH2 ARG 24 -0.935 -4.754 12.613 176 2HH1 ARG 24 2HH2 ARG 24 -1.301 -6.415 13.019 177 1HH2 ARG 24 1HH1 ARG 24 -0.225 -7.694 9.981 178 2HH2 ARG 24 2HH1 ARG 24 -0.905 -8.056 11.552 179 H LYS 25 H LYS 25 1.224 -4.419 5.406 180 HA LYS 25 HA LYS 25 4.081 -4.179 4.670 181 1HB LYS 25 1HB LYS 25 4.075 -6.552 4.261 182 2HB LYS 25 2HB LYS 25 3.595 -6.198 5.908 183 1HG LYS 25 1HG LYS 25 1.186 -6.323 4.833 184 2HG LYS 25 2HG LYS 25 2.028 -7.348 3.686 185 1HD LYS 25 1HD LYS 25 2.247 -7.794 6.637 186 2HD LYS 25 2HD LYS 25 0.938 -8.481 5.696 187 1HE LYS 25 1HE LYS 25 2.354 -9.842 4.472 188 2HE LYS 25 2HE LYS 25 3.747 -8.819 4.759 189 1HZ LYS 25 1HZ LYS 25 3.763 -9.555 7.013 190 2HZ LYS 25 2HZ LYS 25 2.446 -10.522 6.743 191 3HZ LYS 25 3HZ LYS 25 3.880 -10.844 5.980 192 H ASP 26 H ASP 26 0.882 -5.143 3.481 193 HA ASP 26 HA ASP 26 1.517 -5.129 0.736 194 1HB ASP 26 1HB ASP 26 -1.124 -4.418 1.956 195 2HB ASP 26 2HB ASP 26 -0.830 -4.958 0.314 196 H LEU 27 H LEU 27 0.788 -3.514 -0.882 197 HA LEU 27 HA LEU 27 1.803 -1.248 -1.199 198 1HB LEU 27 1HB LEU 27 -1.165 -1.513 -1.264 199 2HB LEU 27 2HB LEU 27 -0.291 -0.163 -1.960 200 HG LEU 27 HG LEU 27 -0.494 -1.347 -3.796 201 1HD1 LEU 27 1HD1 LEU 27 1.866 -1.312 -3.465 202 2HD1 LEU 27 2HD1 LEU 27 1.768 -2.864 -2.565 203 3HD1 LEU 27 3HD1 LEU 27 1.355 -2.812 -4.314 204 1HD2 LEU 27 1HD2 LEU 27 -0.539 -3.903 -2.225 205 2HD2 LEU 27 2HD2 LEU 27 -1.955 -3.021 -2.896 206 3HD2 LEU 27 3HD2 LEU 27 -0.742 -3.752 -4.004 207 H SER 28 H SER 28 2.809 -0.365 0.526 208 HA SER 28 HA SER 28 1.149 1.282 2.292 209 1HB SER 28 1HB SER 28 2.601 0.537 4.275 210 2HB SER 28 2HB SER 28 1.213 -0.428 3.816 211 HG SER 28 HG SER 28 3.071 -1.693 4.201 212 H SER 29 H SER 29 2.795 1.817 0.070 213 HA SER 29 HA SER 29 4.354 3.939 1.102 214 1HB SER 29 1HB SER 29 5.715 1.504 1.249 215 2HB SER 29 2HB SER 29 6.321 2.292 -0.194 216 HG SER 29 HG SER 29 7.500 2.874 1.684 217 H CYS 30 H CYS 30 3.710 1.605 -1.520 218 HA CYS 30 HA CYS 30 4.799 3.050 -3.657 219 1HB CYS 30 1HB CYS 30 2.212 1.554 -3.749 220 2HB CYS 30 2HB CYS 30 3.361 1.798 -5.049 221 H GLU 31 H GLU 31 1.427 3.130 -2.450 222 HA GLU 31 HA GLU 31 0.809 5.446 -4.056 223 1HB GLU 31 1HB GLU 31 -0.592 3.660 -2.299 224 2HB GLU 31 2HB GLU 31 -1.018 5.327 -1.967 225 1HG GLU 31 1HG GLU 31 -2.536 4.421 -3.571 226 2HG GLU 31 2HG GLU 31 -1.527 5.623 -4.348 227 H ARG 32 H ARG 32 1.975 4.881 -0.783 228 HA ARG 32 HA ARG 32 1.548 7.469 0.228 229 1HB ARG 32 1HB ARG 32 2.391 5.331 1.414 230 2HB ARG 32 2HB ARG 32 3.976 5.883 0.910 231 1HG ARG 32 1HG ARG 32 3.669 6.780 3.078 232 2HG ARG 32 2HG ARG 32 3.369 8.116 1.986 233 1HD ARG 32 1HD ARG 32 1.578 8.230 3.497 234 2HD ARG 32 2HD ARG 32 0.897 7.400 2.112 235 HE ARG 32 HE ARG 32 1.814 5.357 3.694 236 1HH1 ARG 32 1HH2 ARG 32 -0.335 8.058 4.272 237 2HH1 ARG 32 2HH2 ARG 32 -1.258 7.204 5.489 238 1HH2 ARG 32 1HH1 ARG 32 0.604 4.281 5.259 239 2HH2 ARG 32 2HH1 ARG 32 -0.733 5.096 6.038 240 H TYR 33 H TYR 33 4.368 6.160 -1.530 241 HA TYR 33 HA TYR 33 6.167 8.196 -1.455 242 1HB TYR 33 1HB TYR 33 6.751 6.245 -2.576 243 2HB TYR 33 2HB TYR 33 5.279 6.240 -3.527 244 HD1 TYR 33 1HD TYR 33 5.041 7.860 -5.469 245 HD2 TYR 33 2HD TYR 33 8.727 7.235 -3.346 246 HE1 TYR 33 1HE TYR 33 6.273 9.013 -7.298 247 HE2 TYR 33 2HE TYR 33 9.955 8.293 -5.224 248 HH TYR 33 HH TYR 33 9.841 9.313 -7.148 249 H LEU 34 H LEU 34 3.319 7.889 -3.588 250 HA LEU 34 HA LEU 34 3.875 10.407 -4.875 251 1HB LEU 34 1HB LEU 34 2.213 9.857 -6.287 252 2HB LEU 34 2HB LEU 34 2.582 8.264 -5.656 253 HG LEU 34 HG LEU 34 0.696 9.044 -3.924 254 1HD1 LEU 34 1HD1 LEU 34 0.200 11.157 -5.000 255 2HD1 LEU 34 2HD1 LEU 34 -0.140 10.299 -6.543 256 3HD1 LEU 34 3HD1 LEU 34 -1.205 10.040 -5.118 257 1HD2 LEU 34 1HD2 LEU 34 0.251 7.674 -6.564 258 2HD2 LEU 34 2HD2 LEU 34 0.781 6.915 -5.023 259 3HD2 LEU 34 3HD2 LEU 34 -0.866 7.622 -5.156 260 H ARG 35 H ARG 35 1.978 9.311 -2.140 261 HA ARG 35 HA ARG 35 0.486 11.689 -1.746 262 1HB ARG 35 1HB ARG 35 0.002 9.447 -0.726 263 2HB ARG 35 2HB ARG 35 1.335 9.741 0.373 264 1HG ARG 35 1HG ARG 35 -0.377 12.035 0.314 265 2HG ARG 35 2HG ARG 35 -1.331 10.602 0.641 266 1HD ARG 35 1HD ARG 35 0.149 10.008 2.479 267 2HD ARG 35 2HD ARG 35 1.167 11.390 2.128 268 HE ARG 35 HE ARG 35 -1.559 12.171 2.594 269 1HH1 ARG 35 1HH2 ARG 35 1.364 11.229 4.272 270 2HH1 ARG 35 2HH2 ARG 35 0.935 12.106 5.723 271 1HH2 ARG 35 1HH1 ARG 35 -2.068 13.300 4.464 272 2HH2 ARG 35 2HH1 ARG 35 -0.975 13.259 5.830 273 H GLN 36 H GLN 36 3.496 10.504 -0.287 274 HA GLN 36 HA GLN 36 3.965 12.957 1.132 275 1HB GLN 36 1HB GLN 36 4.853 10.293 1.301 276 2HB GLN 36 2HB GLN 36 6.271 11.274 0.996 277 1HG GLN 36 1HG GLN 36 6.144 12.316 3.008 278 2HG GLN 36 2HG GLN 36 4.394 12.384 2.971 279 1HE2 GLN 36 2HE2 GLN 36 4.656 11.857 5.296 280 2HE2 GLN 36 1HE2 GLN 36 4.744 10.164 5.728 281 H SER 37 H SER 37 6.636 13.360 0.915 282 HA SER 37 HA SER 37 6.777 14.702 -1.668 283 1HB SER 37 1HB SER 37 7.562 16.071 0.011 284 2HB SER 37 2HB SER 37 8.332 14.752 0.868 285 HG SER 37 HG SER 37 9.847 16.131 -0.156 286 H SER 38 H SER 38 8.598 12.216 0.114 287 HA SER 38 HA SER 38 9.514 11.131 -2.470 288 1HB SER 38 1HB SER 38 11.434 11.514 -0.207 289 2HB SER 38 2HB SER 38 11.785 11.099 -1.873 290 HG SER 38 HG SER 38 12.309 13.258 -1.378 291 H SER 39 H SER 39 11.431 9.439 -0.836 292 HA SER 39 HA SER 39 10.065 7.830 0.981 293 1HB SER 39 1HB SER 39 8.540 7.334 -0.918 294 2HB SER 39 2HB SER 39 9.910 6.680 -1.794 295 HG SER 39 HG SER 39 8.737 5.058 -0.666 296 H ARG 40 H ARG 40 12.088 7.888 1.897 297 HA ARG 40 HA ARG 40 13.810 5.734 1.105 298 1HB ARG 40 1HB ARG 40 14.465 7.567 -0.527 299 2HB ARG 40 2HB ARG 40 15.032 8.475 0.859 300 1HG ARG 40 1HG ARG 40 15.968 5.681 0.679 301 2HG ARG 40 2HG ARG 40 16.592 6.773 -0.540 302 1HD ARG 40 1HD ARG 40 17.283 8.319 1.290 303 2HD ARG 40 2HD ARG 40 16.797 7.094 2.446 304 HE ARG 40 HE ARG 40 18.630 6.042 0.496 305 1HH1 ARG 40 1HH2 ARG 40 18.467 7.877 3.480 306 2HH1 ARG 40 2HH2 ARG 40 20.106 7.474 3.939 307 1HH2 ARG 40 1HH1 ARG 40 20.735 5.566 1.106 308 2HH2 ARG 40 2HH1 ARG 40 21.370 6.185 2.614 309 H ARG 41 H ARG 41 14.090 4.927 3.081 310 HA ARG 41 HA ARG 41 15.725 6.244 4.977 311 1HB ARG 41 1HB ARG 41 13.405 7.444 5.195 312 2HB ARG 41 2HB ARG 41 12.941 5.986 6.049 313 1HG ARG 41 1HG ARG 41 15.515 7.038 6.926 314 2HG ARG 41 2HG ARG 41 14.199 8.170 7.171 315 1HD ARG 41 1HD ARG 41 13.104 6.788 8.654 316 2HD ARG 41 2HD ARG 41 13.800 5.333 7.973 317 HE ARG 41 HE ARG 41 15.923 6.759 9.080 318 1HH1 ARG 41 1HH2 ARG 41 13.008 5.200 10.217 319 2HH1 ARG 41 2HH2 ARG 41 13.668 4.888 11.806 320 1HH2 ARG 41 1HH1 ARG 41 16.734 6.367 11.127 321 2HH2 ARG 41 2HH1 ARG 41 15.751 5.540 12.314 322 H SER 42 H SER 42 15.784 4.995 7.086 323 HA SER 42 HA SER 42 15.571 2.146 6.510 324 1HB SER 42 1HB SER 42 16.821 1.844 8.551 325 2HB SER 42 2HB SER 42 17.578 3.091 7.582 326 HG SER 42 HG SER 42 17.361 3.712 9.794 327 H THR 43 H THR 43 13.058 3.316 6.552 328 HA THR 43 HA THR 43 11.821 2.954 9.112 329 HB THR 43 HB THR 43 10.741 3.219 6.327 330 HG1 THR 43 1HG THR 43 10.319 5.317 7.229 331 1HG2 THR 43 1HG2 THR 43 9.031 2.084 7.767 332 2HG2 THR 43 2HG2 THR 43 9.225 3.420 8.956 333 3HG2 THR 43 3HG2 THR 43 8.570 3.763 7.317 334 H GLY 44 H GLY 44 13.187 0.678 7.160 335 1HA GLY 44 1HA GLY 44 11.208 -1.416 7.721 336 2HA GLY 44 2HA GLY 44 12.636 -1.563 6.717 337 H GLU 45 H GLU 45 14.116 -2.843 7.502 338 HA GLU 45 HA GLU 45 15.069 -2.552 10.222 339 1HB GLU 45 1HB GLU 45 13.067 -4.002 10.526 340 2HB GLU 45 2HB GLU 45 13.798 -5.173 9.448 341 1HG GLU 45 1HG GLU 45 15.808 -5.129 11.036 342 2HG GLU 45 2HG GLU 45 14.753 -4.298 12.163 343 H GLU 46 H GLU 46 15.009 -4.427 7.211 344 HA GLU 46 HA GLU 46 17.936 -4.794 7.493 345 1HB GLU 46 1HB GLU 46 16.441 -6.902 7.807 346 2HB GLU 46 2HB GLU 46 16.303 -6.829 6.063 347 1HG GLU 46 1HG GLU 46 18.664 -7.013 5.777 348 2HG GLU 46 2HG GLU 46 18.958 -6.731 7.481 349 H VAL 47 H VAL 47 18.760 -3.362 6.105 350 HA VAL 47 HA VAL 47 18.081 -3.633 3.281 351 HB VAL 47 HB VAL 47 17.647 -1.015 4.691 352 1HG1 VAL 47 1HG1 VAL 47 18.628 -0.709 2.465 353 2HG1 VAL 47 2HG1 VAL 47 17.347 -1.759 1.764 354 3HG1 VAL 47 3HG1 VAL 47 16.912 -0.173 2.492 355 1HG2 VAL 47 1HG2 VAL 47 15.648 -2.842 3.320 356 2HG2 VAL 47 2HG2 VAL 47 15.775 -2.552 5.090 357 3HG2 VAL 47 3HG2 VAL 47 15.293 -1.212 3.992 358 H LEU 48 H LEU 48 20.185 -4.316 3.105 359 HA LEU 48 HA LEU 48 22.095 -2.435 2.380 360 1HB LEU 48 1HB LEU 48 23.028 -1.715 4.240 361 2HB LEU 48 2HB LEU 48 21.912 -2.683 5.182 362 HG LEU 48 HG LEU 48 23.622 -4.568 4.785 363 1HD1 LEU 48 1HD1 LEU 48 24.992 -3.392 3.141 364 2HD1 LEU 48 2HD1 LEU 48 25.339 -2.109 4.351 365 3HD1 LEU 48 3HD1 LEU 48 25.951 -3.779 4.612 366 1HD2 LEU 48 1HD2 LEU 48 24.180 -2.257 6.668 367 2HD2 LEU 48 2HD2 LEU 48 23.067 -3.635 6.976 368 3HD2 LEU 48 3HD2 LEU 48 24.835 -3.924 6.834 369 H ARG 49 H ARG 49 21.386 -5.592 3.703 370 HA ARG 49 HA ARG 49 23.287 -6.776 1.769 371 1HB ARG 49 1HB ARG 49 23.578 -6.890 4.495 372 2HB ARG 49 2HB ARG 49 22.782 -8.407 4.128 373 1HG ARG 49 1HG ARG 49 24.969 -7.690 2.302 374 2HG ARG 49 2HG ARG 49 25.465 -8.007 3.952 375 1HD ARG 49 1HD ARG 49 24.371 -10.192 3.879 376 2HD ARG 49 2HD ARG 49 23.822 -9.875 2.246 377 HE ARG 49 HE ARG 49 26.447 -10.765 3.053 378 1HH1 ARG 49 1HH2 ARG 49 24.733 -8.948 0.587 379 2HH1 ARG 49 2HH2 ARG 49 25.982 -9.204 -0.611 380 1HH2 ARG 49 1HH1 ARG 49 28.026 -11.055 1.490 381 2HH2 ARG 49 2HH1 ARG 49 27.814 -10.376 -0.108 382 H MET 50 H MET 50 20.164 -6.295 2.402 383 HA MET 50 HA MET 50 19.222 -8.985 1.844 384 1HB MET 50 1HB MET 50 18.020 -6.397 2.643 385 2HB MET 50 2HB MET 50 16.999 -7.562 1.825 386 1HG MET 50 1HG MET 50 18.737 -8.314 4.141 387 2HG MET 50 2HG MET 50 17.109 -7.702 4.362 388 1HE MET 50 1HE MET 50 19.348 -10.469 2.771 389 2HE MET 50 2HE MET 50 19.102 -10.652 4.542 390 3HE MET 50 3HE MET 50 18.457 -11.892 3.412 391 HA PRO 51 HA PRO 51 18.539 -8.431 -2.429 392 1HB PRO 51 1HB PRO 51 16.203 -9.854 -2.822 393 2HB PRO 51 2HB PRO 51 17.797 -10.568 -2.678 394 1HG PRO 51 1HG PRO 51 15.593 -10.559 -0.734 395 2HG PRO 51 2HG PRO 51 16.998 -11.603 -0.800 396 1HD PRO 51 1HD PRO 51 16.596 -9.376 0.912 397 2HD PRO 51 2HD PRO 51 18.045 -10.350 0.762 398 H GLY 52 H GLY 52 17.922 -6.148 -1.222 399 1HA GLY 52 1HA GLY 52 15.351 -5.304 -2.403 400 2HA GLY 52 2HA GLY 52 16.024 -4.628 -0.934 401 H ASP 53 H ASP 53 18.745 -4.467 -1.777 402 HA ASP 53 HA ASP 53 18.902 -1.943 -2.911 403 1HB ASP 53 1HB ASP 53 20.775 -4.205 -2.585 404 2HB ASP 53 2HB ASP 53 21.218 -2.991 -3.768 405 H GLU 54 H GLU 54 19.750 -4.986 -4.603 406 HA GLU 54 HA GLU 54 19.655 -3.789 -7.193 407 1HB GLU 54 1HB GLU 54 19.724 -6.218 -7.932 408 2HB GLU 54 2HB GLU 54 21.071 -5.634 -6.976 409 1HG GLU 54 1HG GLU 54 18.863 -6.785 -5.408 410 2HG GLU 54 2HG GLU 54 19.697 -7.925 -6.445 411 H ASN 55 H ASN 55 17.461 -2.775 -6.665 412 HA ASN 55 HA ASN 55 15.170 -4.521 -7.036 413 1HB ASN 55 1HB ASN 55 13.858 -2.606 -6.603 414 2HB ASN 55 2HB ASN 55 15.218 -2.504 -5.503 415 1HD2 ASN 55 2HD2 ASN 55 13.326 -0.715 -7.454 416 2HD2 ASN 55 1HD2 ASN 55 14.442 0.560 -7.889 417 H GLN 56 H GLN 56 13.497 -3.059 -8.556 418 HA GLN 56 HA GLN 56 13.908 -3.718 -11.140 419 1HB GLN 56 1HB GLN 56 12.010 -2.309 -9.848 420 2HB GLN 56 2HB GLN 56 12.725 -1.046 -10.831 421 1HG GLN 56 1HG GLN 56 12.510 -3.249 -12.528 422 2HG GLN 56 2HG GLN 56 11.008 -3.227 -11.625 423 1HE2 GLN 56 2HE2 GLN 56 12.102 -2.416 -14.469 424 2HE2 GLN 56 1HE2 GLN 56 11.281 -0.899 -14.761 425 H GLN 57 H GLN 57 14.440 -0.321 -10.196 426 HA GLN 57 HA GLN 57 16.703 -0.283 -12.094 427 1HB GLN 57 1HB GLN 57 14.540 1.072 -12.555 428 2HB GLN 57 2HB GLN 57 15.196 2.174 -11.360 429 1HG GLN 57 1HG GLN 57 16.911 2.828 -12.704 430 2HG GLN 57 2HG GLN 57 17.070 1.247 -13.443 431 1HE2 GLN 57 2HE2 GLN 57 17.133 3.763 -14.803 432 2HE2 GLN 57 1HE2 GLN 57 15.783 3.777 -15.916 433 H GLN 58 H GLN 58 18.671 0.232 -11.352 434 HA GLN 58 HA GLN 58 19.221 0.321 -8.619 435 1HB GLN 58 1HB GLN 58 20.646 0.623 -11.068 436 2HB GLN 58 2HB GLN 58 21.183 1.862 -9.952 437 1HG GLN 58 1HG GLN 58 21.490 0.098 -8.227 438 2HG GLN 58 2HG GLN 58 21.089 -1.103 -9.438 439 1HE2 GLN 58 2HE2 GLN 58 23.395 -1.618 -8.395 440 2HE2 GLN 58 1HE2 GLN 58 24.731 -1.093 -9.395 441 H GLU 59 H GLU 59 19.126 3.093 -10.881 442 HA GLU 59 HA GLU 59 19.171 5.002 -8.701 443 1HB GLU 59 1HB GLU 59 19.298 5.092 -11.627 444 2HB GLU 59 2HB GLU 59 18.536 6.477 -10.871 445 1HG GLU 59 1HG GLU 59 21.102 5.474 -9.740 446 2HG GLU 59 2HG GLU 59 21.151 6.396 -11.229 447 H SER 60 H SER 60 17.190 3.644 -7.861 448 HA SER 60 HA SER 60 14.918 5.362 -8.038 449 1HB SER 60 1HB SER 60 13.351 4.109 -9.168 450 2HB SER 60 2HB SER 60 14.782 3.883 -10.154 451 HG SER 60 HG SER 60 13.679 1.912 -9.747 452 H GLN 61 H GLN 61 16.653 4.522 -6.011 453 HA GLN 61 HA GLN 61 15.749 2.328 -4.517 454 1HB GLN 61 1HB GLN 61 16.899 3.251 -2.688 455 2HB GLN 61 2HB GLN 61 17.769 3.817 -4.099 456 1HG GLN 61 1HG GLN 61 16.259 5.896 -3.948 457 2HG GLN 61 2HG GLN 61 15.887 5.341 -2.328 458 1HE2 GLN 61 2HE2 GLN 61 17.287 7.775 -3.270 459 2HE2 GLN 61 1HE2 GLN 61 18.802 7.765 -2.395 460 H GLN 62 H GLN 62 14.203 5.365 -5.123 461 HA GLN 62 HA GLN 62 12.453 5.505 -2.940 462 1HB GLN 62 1HB GLN 62 12.302 6.436 -5.770 463 2HB GLN 62 2HB GLN 62 10.985 6.706 -4.646 464 1HG GLN 62 1HG GLN 62 13.342 7.439 -3.296 465 2HG GLN 62 2HG GLN 62 13.458 8.135 -4.899 466 1HE2 GLN 62 2HE2 GLN 62 13.009 10.295 -4.544 467 2HE2 GLN 62 1HE2 GLN 62 11.545 10.854 -3.766 468 H LEU 63 H LEU 63 11.844 4.097 -6.172 469 HA LEU 63 HA LEU 63 9.336 2.955 -5.356 470 1HB LEU 63 1HB LEU 63 11.113 2.846 -7.729 471 2HB LEU 63 2HB LEU 63 9.955 1.545 -7.531 472 HG LEU 63 HG LEU 63 8.135 3.027 -7.628 473 1HD1 LEU 63 1HD1 LEU 63 8.993 4.848 -6.254 474 2HD1 LEU 63 2HD1 LEU 63 10.111 5.323 -7.579 475 3HD1 LEU 63 3HD1 LEU 63 8.333 5.475 -7.805 476 1HD2 LEU 63 1HD2 LEU 63 10.135 3.882 -9.729 477 2HD2 LEU 63 2HD2 LEU 63 9.037 2.461 -9.815 478 3HD2 LEU 63 3HD2 LEU 63 8.355 4.125 -9.812 479 H GLN 64 H GLN 64 12.708 1.903 -5.295 480 HA GLN 64 HA GLN 64 12.412 -0.835 -4.993 481 1HB GLN 64 1HB GLN 64 14.587 -0.045 -5.035 482 2HB GLN 64 2HB GLN 64 14.281 1.132 -3.773 483 1HG GLN 64 1HG GLN 64 14.134 -0.637 -2.122 484 2HG GLN 64 2HG GLN 64 14.347 -1.848 -3.369 485 1HE2 GLN 64 2HE2 GLN 64 16.278 -0.789 -4.932 486 2HE2 GLN 64 1HE2 GLN 64 17.771 -0.611 -4.038 487 H GLN 65 H GLN 65 11.630 1.725 -2.705 488 HA GLN 65 HA GLN 65 11.250 -0.019 -0.488 489 1HB GLN 65 1HB GLN 65 10.747 2.807 -1.098 490 2HB GLN 65 2HB GLN 65 9.663 2.094 0.077 491 1HG GLN 65 1HG GLN 65 12.672 2.099 0.212 492 2HG GLN 65 2HG GLN 65 11.594 3.070 1.194 493 1HE2 GLN 65 2HE2 GLN 65 13.105 -0.008 0.776 494 2HE2 GLN 65 1HE2 GLN 65 12.422 -0.789 2.184 495 H CYS 66 H CYS 66 9.160 1.083 -3.110 496 HA CYS 66 HA CYS 66 6.768 -0.036 -2.041 497 1HB CYS 66 1HB CYS 66 6.466 1.583 -3.692 498 2HB CYS 66 2HB CYS 66 7.653 0.846 -4.747 499 H CYS 67 H CYS 67 9.163 -1.242 -4.514 500 HA CYS 67 HA CYS 67 7.865 -3.696 -4.934 501 1HB CYS 67 1HB CYS 67 9.887 -2.644 -6.111 502 2HB CYS 67 2HB CYS 67 10.831 -3.429 -4.860 503 H ASN 68 H ASN 68 10.551 -2.960 -2.676 504 HA ASN 68 HA ASN 68 10.545 -5.427 -1.334 505 1HB ASN 68 1HB ASN 68 11.331 -2.648 -0.577 506 2HB ASN 68 2HB ASN 68 11.365 -3.923 0.624 507 1HD2 ASN 68 2HD2 ASN 68 12.459 -3.162 -2.672 508 2HD2 ASN 68 1HD2 ASN 68 13.945 -4.082 -2.579 509 H GLN 69 H GLN 69 8.258 -2.846 -1.224 510 HA GLN 69 HA GLN 69 7.101 -3.639 1.318 511 1HB GLN 69 1HB GLN 69 6.598 -1.484 -0.657 512 2HB GLN 69 2HB GLN 69 5.307 -1.938 0.436 513 1HG GLN 69 1HG GLN 69 7.962 -1.564 1.656 514 2HG GLN 69 2HG GLN 69 7.180 -0.116 1.051 515 1HE2 GLN 69 2HE2 GLN 69 6.735 -2.923 3.172 516 2HE2 GLN 69 1HE2 GLN 69 5.575 -2.138 4.220 517 H VAL 70 H VAL 70 6.127 -3.688 -2.095 518 HA VAL 70 HA VAL 70 3.734 -5.167 -1.638 519 HB VAL 70 HB VAL 70 5.290 -4.882 -4.184 520 1HG1 VAL 70 1HG1 VAL 70 3.482 -6.516 -4.175 521 2HG1 VAL 70 2HG1 VAL 70 2.364 -5.256 -3.545 522 3HG1 VAL 70 3HG1 VAL 70 3.069 -5.091 -5.191 523 1HG2 VAL 70 1HG2 VAL 70 3.204 -3.018 -3.015 524 2HG2 VAL 70 2HG2 VAL 70 4.956 -2.653 -3.183 525 3HG2 VAL 70 3HG2 VAL 70 3.942 -2.885 -4.649 526 H LYS 71 H LYS 71 7.031 -5.998 -1.631 527 HA LYS 71 HA LYS 71 6.723 -8.702 -2.554 528 1HB LYS 71 1HB LYS 71 8.841 -7.247 -2.486 529 2HB LYS 71 2HB LYS 71 8.934 -7.714 -0.800 530 1HG LYS 71 1HG LYS 71 8.945 -10.069 -1.437 531 2HG LYS 71 2HG LYS 71 8.804 -9.623 -3.126 532 1HD LYS 71 1HD LYS 71 11.038 -9.535 -3.239 533 2HD LYS 71 2HD LYS 71 11.003 -8.183 -2.125 534 1HE LYS 71 1HE LYS 71 11.404 -9.539 -0.264 535 2HE LYS 71 2HE LYS 71 10.839 -10.985 -1.077 536 1HZ LYS 71 1HZ LYS 71 12.777 -10.904 -2.468 537 2HZ LYS 71 2HZ LYS 71 13.312 -9.537 -1.701 538 3HZ LYS 71 3HZ LYS 71 13.216 -10.967 -0.873 539 H GLN 72 H GLN 72 5.916 -7.036 0.304 540 HA GLN 72 HA GLN 72 5.859 -9.528 1.859 541 1HB GLN 72 1HB GLN 72 5.423 -6.672 2.665 542 2HB GLN 72 2HB GLN 72 5.375 -8.043 3.754 543 1HG GLN 72 1HG GLN 72 7.805 -8.095 2.233 544 2HG GLN 72 2HG GLN 72 7.619 -6.533 3.004 545 1HE2 GLN 72 2HE2 GLN 72 8.291 -9.888 3.438 546 2HE2 GLN 72 1HE2 GLN 72 8.472 -9.869 5.179 547 H VAL 73 H VAL 73 3.945 -8.269 -0.402 548 HA VAL 73 HA VAL 73 1.407 -8.217 0.895 549 HB VAL 73 HB VAL 73 2.400 -8.332 -1.886 550 1HG1 VAL 73 1HG1 VAL 73 0.511 -9.849 -1.961 551 2HG1 VAL 73 2HG1 VAL 73 -0.507 -8.612 -1.144 552 3HG1 VAL 73 3HG1 VAL 73 0.140 -8.299 -2.792 553 1HG2 VAL 73 1HG2 VAL 73 0.590 -6.430 -0.390 554 2HG2 VAL 73 2HG2 VAL 73 2.335 -6.189 -0.749 555 3HG2 VAL 73 3HG2 VAL 73 1.139 -6.233 -2.090 556 H ARG 74 H ARG 74 -0.355 -9.734 0.494 557 HA ARG 74 HA ARG 74 0.509 -12.469 0.950 558 1HB ARG 74 1HB ARG 74 -2.295 -11.462 0.720 559 2HB ARG 74 2HB ARG 74 -1.732 -12.916 1.519 560 1HG ARG 74 1HG ARG 74 -1.369 -10.065 2.379 561 2HG ARG 74 2HG ARG 74 -2.130 -11.375 3.259 562 1HD ARG 74 1HD ARG 74 0.164 -12.499 3.241 563 2HD ARG 74 2HD ARG 74 0.796 -10.947 2.731 564 HE ARG 74 HE ARG 74 -0.464 -10.177 4.907 565 1HH1 ARG 74 1HH2 ARG 74 1.800 -12.773 4.398 566 2HH1 ARG 74 2HH2 ARG 74 2.244 -12.840 6.089 567 1HH2 ARG 74 1HH1 ARG 74 0.047 -10.379 7.101 568 2HH2 ARG 74 2HH1 ARG 74 1.281 -11.525 7.575 569 H ASP 75 H ASP 75 -1.940 -11.075 -1.208 570 HA ASP 75 HA ASP 75 -1.212 -11.855 -3.679 571 1HB ASP 75 1HB ASP 75 -0.736 -14.085 -3.241 572 2HB ASP 75 2HB ASP 75 -2.084 -14.251 -2.135 573 H GLU 76 H GLU 76 -3.827 -12.403 -1.352 574 HA GLU 76 HA GLU 76 -5.795 -11.604 -3.404 575 1HB GLU 76 1HB GLU 76 -7.470 -12.454 -1.843 576 2HB GLU 76 2HB GLU 76 -6.278 -13.673 -2.251 577 1HG GLU 76 1HG GLU 76 -5.290 -12.347 0.025 578 2HG GLU 76 2HG GLU 76 -6.990 -12.644 0.332 579 H CYS 77 H CYS 77 -3.928 -10.237 -1.088 580 HA CYS 77 HA CYS 77 -5.883 -8.122 -0.523 581 1HB CYS 77 1HB CYS 77 -3.404 -8.185 0.969 582 2HB CYS 77 2HB CYS 77 -5.046 -7.895 1.506 583 H GLN 78 H GLN 78 -3.367 -8.936 -2.566 584 HA GLN 78 HA GLN 78 -1.801 -6.587 -2.569 585 1HB GLN 78 1HB GLN 78 -0.838 -7.501 -4.433 586 2HB GLN 78 2HB GLN 78 -1.582 -8.930 -3.745 587 1HG GLN 78 1HG GLN 78 -3.466 -8.690 -5.262 588 2HG GLN 78 2HG GLN 78 -2.744 -7.246 -5.940 589 1HE2 GLN 78 2HE2 GLN 78 -1.493 -10.472 -5.062 590 2HE2 GLN 78 1HE2 GLN 78 -0.750 -10.780 -6.615 591 H CYS 79 H CYS 79 -4.865 -7.447 -4.163 592 HA CYS 79 HA CYS 79 -4.890 -5.073 -5.802 593 1HB CYS 79 1HB CYS 79 -6.210 -7.461 -5.863 594 2HB CYS 79 2HB CYS 79 -7.440 -6.349 -5.295 595 H GLU 80 H GLU 80 -7.105 -6.237 -3.216 596 HA GLU 80 HA GLU 80 -8.360 -3.827 -2.682 597 1HB GLU 80 1HB GLU 80 -9.032 -5.907 -1.636 598 2HB GLU 80 2HB GLU 80 -7.523 -5.977 -0.748 599 1HG GLU 80 1HG GLU 80 -9.365 -5.143 0.651 600 2HG GLU 80 2HG GLU 80 -8.099 -3.947 0.453 601 H ALA 81 H ALA 81 -5.138 -4.860 -1.717 602 HA ALA 81 HA ALA 81 -4.547 -2.915 0.152 603 1HB ALA 81 1HB ALA 81 -3.072 -4.757 -0.331 604 2HB ALA 81 2HB ALA 81 -2.768 -4.087 -1.973 605 3HB ALA 81 3HB ALA 81 -2.214 -3.188 -0.517 606 H ILE 82 H ILE 82 -4.354 -2.620 -3.394 607 HA ILE 82 HA ILE 82 -3.611 0.127 -3.348 608 HB ILE 82 HB ILE 82 -4.664 -1.728 -5.421 609 1HG1 ILE 82 1HG1 ILE 82 -2.315 -1.855 -4.583 610 2HG1 ILE 82 2HG1 ILE 82 -2.508 -1.663 -6.314 611 1HG2 ILE 82 1HG2 ILE 82 -5.624 0.444 -5.944 612 2HG2 ILE 82 2HG2 ILE 82 -3.998 1.196 -5.802 613 3HG2 ILE 82 3HG2 ILE 82 -4.330 0.016 -7.117 614 1HD1 ILE 82 1HD1 ILE 82 -2.026 0.734 -6.125 615 2HD1 ILE 82 2HD1 ILE 82 -1.828 0.536 -4.349 616 3HD1 ILE 82 3HD1 ILE 82 -0.682 -0.270 -5.476 617 H LYS 83 H LYS 83 -6.755 -1.574 -3.635 618 HA LYS 83 HA LYS 83 -8.223 0.855 -3.949 619 1HB LYS 83 1HB LYS 83 -8.760 -1.946 -3.795 620 2HB LYS 83 2HB LYS 83 -9.878 -1.080 -2.761 621 1HG LYS 83 1HG LYS 83 -10.978 -1.015 -4.815 622 2HG LYS 83 2HG LYS 83 -10.128 0.517 -4.812 623 1HD LYS 83 1HD LYS 83 -8.762 -0.094 -6.517 624 2HD LYS 83 2HD LYS 83 -8.596 -1.735 -5.925 625 1HE LYS 83 1HE LYS 83 -10.018 -2.411 -7.519 626 2HE LYS 83 2HE LYS 83 -11.277 -1.461 -6.755 627 1HZ LYS 83 1HZ LYS 83 -10.574 0.418 -8.045 628 2HZ LYS 83 2HZ LYS 83 -9.385 -0.480 -8.767 629 3HZ LYS 83 3HZ LYS 83 -10.976 -0.845 -9.038 630 H TYR 84 H TYR 84 -6.387 -0.053 -1.418 631 HA TYR 84 HA TYR 84 -8.127 1.140 0.643 632 1HB TYR 84 1HB TYR 84 -7.484 -1.112 1.167 633 2HB TYR 84 2HB TYR 84 -5.816 -0.768 0.760 634 HD1 TYR 84 1HD TYR 84 -4.418 0.678 2.273 635 HD2 TYR 84 2HD TYR 84 -8.400 -0.603 3.275 636 HE1 TYR 84 1HE TYR 84 -4.054 1.401 4.624 637 HE2 TYR 84 2HE TYR 84 -7.953 -0.109 5.678 638 HH TYR 84 HH TYR 84 -6.560 0.746 7.102 639 H ILE 85 H ILE 85 -4.618 0.760 -0.126 640 HA ILE 85 HA ILE 85 -3.846 3.049 1.321 641 HB ILE 85 HB ILE 85 -2.315 1.292 0.769 642 1HG1 ILE 85 1HG1 ILE 85 -1.595 3.895 -0.510 643 2HG1 ILE 85 2HG1 ILE 85 -1.296 3.404 1.144 644 1HG2 ILE 85 1HG2 ILE 85 -3.264 0.585 -1.365 645 2HG2 ILE 85 2HG2 ILE 85 -2.703 2.115 -2.123 646 3HG2 ILE 85 3HG2 ILE 85 -1.504 0.913 -1.532 647 1HD1 ILE 85 1HD1 ILE 85 0.264 1.662 0.370 648 2HD1 ILE 85 2HD1 ILE 85 -0.043 2.166 -1.329 649 3HD1 ILE 85 3HD1 ILE 85 0.764 3.297 -0.187 650 H ALA 86 H ALA 86 -4.759 2.585 -2.073 651 HA ALA 86 HA ALA 86 -4.209 5.278 -2.835 652 1HB ALA 86 1HB ALA 86 -4.230 3.460 -4.478 653 2HB ALA 86 2HB ALA 86 -5.968 3.170 -4.124 654 3HB ALA 86 3HB ALA 86 -5.452 4.713 -4.888 655 H GLU 87 H GLU 87 -7.367 3.592 -2.595 656 HA GLU 87 HA GLU 87 -8.938 5.863 -2.533 657 1HB GLU 87 1HB GLU 87 -9.488 3.279 -2.487 658 2HB GLU 87 2HB GLU 87 -9.759 3.631 -0.792 659 1HG GLU 87 1HG GLU 87 -11.480 5.151 -1.261 660 2HG GLU 87 2HG GLU 87 -10.986 5.331 -2.932 661 H ASP 88 H ASP 88 -6.903 4.658 -0.021 662 HA ASP 88 HA ASP 88 -8.077 5.871 2.243 663 1HB ASP 88 1HB ASP 88 -6.470 4.302 2.792 664 2HB ASP 88 2HB ASP 88 -5.352 4.874 1.570 665 H GLN 89 H GLN 89 -4.954 6.837 0.907 666 HA GLN 89 HA GLN 89 -5.106 9.462 1.878 667 1HB GLN 89 1HB GLN 89 -3.257 9.936 0.330 668 2HB GLN 89 2HB GLN 89 -2.990 8.466 1.244 669 1HG GLN 89 1HG GLN 89 -3.920 7.198 -0.724 670 2HG GLN 89 2HG GLN 89 -3.875 8.703 -1.620 671 1HE2 GLN 89 2HE2 GLN 89 -1.710 6.842 0.553 672 2HE2 GLN 89 1HE2 GLN 89 -0.284 7.065 -0.436 673 H ILE 90 H ILE 90 -6.188 8.027 -1.193 674 HA ILE 90 HA ILE 90 -6.681 10.330 -2.643 675 HB ILE 90 HB ILE 90 -7.991 7.672 -2.524 676 1HG1 ILE 90 1HG1 ILE 90 -6.459 8.991 -4.753 677 2HG1 ILE 90 2HG1 ILE 90 -5.713 7.987 -3.525 678 1HG2 ILE 90 1HG2 ILE 90 -9.798 9.198 -3.098 679 2HG2 ILE 90 2HG2 ILE 90 -8.774 9.924 -4.386 680 3HG2 ILE 90 3HG2 ILE 90 -9.314 8.215 -4.523 681 1HD1 ILE 90 1HD1 ILE 90 -7.151 6.082 -4.176 682 2HD1 ILE 90 2HD1 ILE 90 -7.915 7.112 -5.436 683 3HD1 ILE 90 3HD1 ILE 90 -6.176 6.675 -5.567 684 H GLN 91 H GLN 91 -8.798 8.739 -0.249 685 HA GLN 91 HA GLN 91 -10.817 10.754 -0.439 686 1HB GLN 91 1HB GLN 91 -10.235 8.692 1.668 687 2HB GLN 91 2HB GLN 91 -11.652 9.723 1.668 688 1HG GLN 91 1HG GLN 91 -11.117 8.269 -0.845 689 2HG GLN 91 2HG GLN 91 -11.598 7.282 0.520 690 1HE2 GLN 91 2HE2 GLN 91 -12.534 9.979 -1.566 691 2HE2 GLN 91 1HE2 GLN 91 -14.242 9.917 -1.197 692 H GLN 92 H GLN 92 -8.331 10.074 2.050 693 HA GLN 92 HA GLN 92 -8.861 12.224 3.722 694 1HB GLN 92 1HB GLN 92 -7.052 10.224 3.724 695 2HB GLN 92 2HB GLN 92 -6.011 11.579 3.332 696 1HG GLN 92 1HG GLN 92 -5.982 11.611 5.656 697 2HG GLN 92 2HG GLN 92 -7.252 12.762 5.293 698 1HE2 GLN 92 2HE2 GLN 92 -8.771 12.571 6.839 699 2HE2 GLN 92 1HE2 GLN 92 -9.455 11.059 7.391 700 H GLY 93 H GLY 93 -6.396 12.143 1.168 701 1HA GLY 93 1HA GLY 93 -5.800 14.891 1.161 702 2HA GLY 93 2HA GLY 93 -5.476 13.745 -0.124 703 H GLN 94 H GLN 94 -5.961 16.047 -1.112 704 HA GLN 94 HA GLN 94 -8.807 16.460 -1.539 705 1HB GLN 94 1HB GLN 94 -6.461 18.036 -1.719 706 2HB GLN 94 2HB GLN 94 -7.260 18.060 -3.279 707 1HG GLN 94 1HG GLN 94 -9.185 19.020 -2.431 708 2HG GLN 94 2HG GLN 94 -8.901 18.407 -0.815 709 1HE2 GLN 94 2HE2 GLN 94 -9.334 20.508 0.022 710 2HE2 GLN 94 1HE2 GLN 94 -8.099 21.745 -0.036 711 H LEU 95 H LEU 95 -7.793 13.890 -2.407 712 HA LEU 95 HA LEU 95 -7.770 14.155 -5.329 713 1HB LEU 95 1HB LEU 95 -7.569 11.620 -3.780 714 2HB LEU 95 2HB LEU 95 -6.976 11.971 -5.391 715 HG LEU 95 HG LEU 95 -5.091 11.810 -4.081 716 1HD1 LEU 95 1HD1 LEU 95 -4.988 13.731 -5.557 717 2HD1 LEU 95 2HD1 LEU 95 -5.722 14.764 -4.282 718 3HD1 LEU 95 3HD1 LEU 95 -4.085 14.062 -4.038 719 1HD2 LEU 95 1HD2 LEU 95 -6.355 13.590 -2.022 720 2HD2 LEU 95 2HD2 LEU 95 -6.055 11.823 -1.884 721 3HD2 LEU 95 3HD2 LEU 95 -4.670 12.965 -1.989 722 H HIS 96 H HIS 96 -10.029 14.029 -2.897 723 HA HIS 96 HA HIS 96 -11.923 12.323 -4.268 724 1HB HIS 96 1HB HIS 96 -13.425 13.069 -2.472 725 2HB HIS 96 2HB HIS 96 -11.939 12.323 -1.919 726 HD1 HIS 96 1HD HIS 96 -13.019 13.738 0.323 727 HD2 HIS 96 2HD HIS 96 -11.010 15.821 -2.762 728 HE1 HIS 96 1HE HIS 96 -12.260 15.982 1.325 729 HE2 HIS 96 2HE HIS 96 -11.010 17.221 -0.548 730 H GLY 97 H GLY 97 -14.267 13.383 -4.388 731 1HA GLY 97 1HA GLY 97 -15.618 15.050 -5.292 732 2HA GLY 97 2HA GLY 97 -14.219 16.089 -5.476 733 H GLU 98 H GLU 98 -12.555 15.215 -7.142 734 HA GLU 98 HA GLU 98 -13.374 13.541 -9.252 735 1HB GLU 98 1HB GLU 98 -14.991 15.567 -9.487 736 2HB GLU 98 2HB GLU 98 -13.594 16.366 -10.179 737 1HG GLU 98 1HG GLU 98 -13.403 14.723 -11.904 738 2HG GLU 98 2HG GLU 98 -14.569 13.676 -11.120 739 H GLU 99 H GLU 99 -11.086 13.894 -7.772 740 HA GLU 99 HA GLU 99 -9.167 14.737 -9.831 741 1HB GLU 99 1HB GLU 99 -7.867 15.564 -7.591 742 2HB GLU 99 2HB GLU 99 -8.679 16.609 -8.739 743 1HG GLU 99 1HG GLU 99 -10.744 16.388 -7.346 744 2HG GLU 99 2HG GLU 99 -9.775 15.547 -6.152 745 H SER 100 H SER 100 -10.334 12.277 -8.321 746 HA SER 100 HA SER 100 -8.055 11.155 -6.957 747 1HB SER 100 1HB SER 100 -9.479 9.550 -6.294 748 2HB SER 100 2HB SER 100 -10.714 10.629 -6.911 749 HG SER 100 HG SER 100 -10.942 8.498 -7.697 750 H GLU 101 H GLU 101 -9.527 10.995 -10.150 751 HA GLU 101 HA GLU 101 -7.995 8.822 -11.140 752 1HB GLU 101 1HB GLU 101 -10.051 10.306 -12.103 753 2HB GLU 101 2HB GLU 101 -8.718 10.947 -13.043 754 1HG GLU 101 1HG GLU 101 -8.127 8.725 -13.808 755 2HG GLU 101 2HG GLU 101 -9.336 8.006 -12.764 756 H ARG 102 H ARG 102 -7.286 12.197 -10.585 757 HA ARG 102 HA ARG 102 -4.966 12.329 -12.266 758 1HB ARG 102 1HB ARG 102 -5.924 13.916 -9.914 759 2HB ARG 102 2HB ARG 102 -4.406 14.261 -10.719 760 1HG ARG 102 1HG ARG 102 -5.437 15.004 -12.642 761 2HG ARG 102 2HG ARG 102 -6.880 14.052 -12.361 762 1HD ARG 102 1HD ARG 102 -6.887 16.673 -12.022 763 2HD ARG 102 2HD ARG 102 -7.817 15.622 -10.974 764 HE ARG 102 HE ARG 102 -6.579 16.403 -9.214 765 1HH1 ARG 102 1HH2 ARG 102 -4.662 16.778 -12.127 766 2HH1 ARG 102 2HH2 ARG 102 -3.282 17.412 -11.258 767 1HH2 ARG 102 1HH1 ARG 102 -4.747 17.157 -8.132 768 2HH2 ARG 102 2HH1 ARG 102 -3.331 17.621 -9.048 769 H VAL 103 H VAL 103 -5.590 11.073 -9.064 770 HA VAL 103 HA VAL 103 -2.770 10.937 -8.374 771 HB VAL 103 HB VAL 103 -5.345 10.148 -7.138 772 1HG1 VAL 103 1HG1 VAL 103 -3.999 8.122 -6.827 773 2HG1 VAL 103 2HG1 VAL 103 -2.667 9.127 -6.157 774 3HG1 VAL 103 3HG1 VAL 103 -4.230 9.005 -5.278 775 1HG2 VAL 103 1HG2 VAL 103 -2.912 11.678 -6.204 776 2HG2 VAL 103 2HG2 VAL 103 -4.457 12.379 -6.800 777 3HG2 VAL 103 3HG2 VAL 103 -4.425 11.450 -5.262 778 H ALA 104 H ALA 104 -5.244 8.837 -9.785 779 HA ALA 104 HA ALA 104 -3.946 6.374 -9.563 780 1HB ALA 104 1HB ALA 104 -6.231 6.665 -10.415 781 2HB ALA 104 2HB ALA 104 -5.575 7.494 -11.870 782 3HB ALA 104 3HB ALA 104 -5.222 5.753 -11.591 783 H GLN 105 H GLN 105 -3.306 9.096 -11.732 784 HA GLN 105 HA GLN 105 -1.439 7.673 -13.365 785 1HB GLN 105 1HB GLN 105 -0.975 9.743 -14.357 786 2HB GLN 105 2HB GLN 105 -2.671 9.810 -13.920 787 1HG GLN 105 1HG GLN 105 -2.258 11.698 -12.845 788 2HG GLN 105 2HG GLN 105 -1.293 10.782 -11.704 789 1HE2 GLN 105 2HE2 GLN 105 -1.246 13.461 -13.496 790 2HE2 GLN 105 1HE2 GLN 105 0.470 13.585 -13.814 791 H ARG 106 H ARG 106 -1.231 9.208 -10.255 792 HA ARG 106 HA ARG 106 1.640 9.419 -10.221 793 1HB ARG 106 1HB ARG 106 -0.577 10.249 -8.587 794 2HB ARG 106 2HB ARG 106 0.696 9.531 -7.621 795 1HG ARG 106 1HG ARG 106 1.110 11.888 -7.769 796 2HG ARG 106 2HG ARG 106 2.314 11.064 -8.740 797 1HD ARG 106 1HD ARG 106 1.700 12.464 -10.386 798 2HD ARG 106 2HD ARG 106 0.277 11.452 -10.531 799 HE ARG 106 HE ARG 106 -0.537 13.178 -8.639 800 1HH1 ARG 106 1HH2 ARG 106 1.073 13.788 -11.690 801 2HH1 ARG 106 2HH2 ARG 106 0.327 15.361 -11.870 802 1HH2 ARG 106 1HH1 ARG 106 -1.463 15.204 -8.934 803 2HH2 ARG 106 2HH1 ARG 106 -1.064 16.139 -10.358 804 H ALA 107 H ALA 107 -0.789 7.422 -8.531 805 HA ALA 107 HA ALA 107 1.112 5.758 -7.245 806 1HB ALA 107 1HB ALA 107 -1.229 6.031 -6.550 807 2HB ALA 107 2HB ALA 107 -1.759 5.257 -8.085 808 3HB ALA 107 3HB ALA 107 -0.844 4.303 -6.866 809 H GLY 108 H GLY 108 -0.757 5.417 -10.239 810 1HA GLY 108 1HA GLY 108 -0.038 2.956 -11.163 811 2HA GLY 108 2HA GLY 108 -0.216 4.363 -12.192 812 H GLU 109 H GLU 109 2.016 5.835 -11.113 813 HA GLU 109 HA GLU 109 4.147 4.936 -12.659 814 1HB GLU 109 1HB GLU 109 4.200 6.628 -10.181 815 2HB GLU 109 2HB GLU 109 5.554 6.422 -11.275 816 1HG GLU 109 1HG GLU 109 4.451 7.523 -13.027 817 2HG GLU 109 2HG GLU 109 2.891 7.380 -12.243 818 H ILE 110 H ILE 110 3.725 4.532 -9.138 819 HA ILE 110 HA ILE 110 6.059 2.862 -8.917 820 HB ILE 110 HB ILE 110 3.839 3.042 -6.920 821 1HG1 ILE 110 1HG1 ILE 110 4.128 5.315 -7.166 822 2HG1 ILE 110 2HG1 ILE 110 5.338 4.947 -5.953 823 1HG2 ILE 110 1HG2 ILE 110 5.605 1.410 -6.493 824 2HG2 ILE 110 2HG2 ILE 110 6.843 2.699 -6.690 825 3HG2 ILE 110 3HG2 ILE 110 5.692 2.762 -5.310 826 1HD1 ILE 110 1HD1 ILE 110 7.088 4.872 -7.690 827 2HD1 ILE 110 2HD1 ILE 110 5.846 5.249 -8.934 828 3HD1 ILE 110 3HD1 ILE 110 6.246 6.460 -7.667 829 H VAL 111 H VAL 111 2.649 2.408 -9.462 830 HA VAL 111 HA VAL 111 2.474 -0.328 -8.938 831 HB VAL 111 HB VAL 111 1.046 1.356 -10.919 832 1HG1 VAL 111 1HG1 VAL 111 0.847 -0.942 -11.633 833 2HG1 VAL 111 2HG1 VAL 111 0.332 -1.418 -9.977 834 3HG1 VAL 111 3HG1 VAL 111 -0.714 -0.344 -10.970 835 1HG2 VAL 111 1HG2 VAL 111 0.314 0.495 -8.117 836 2HG2 VAL 111 2HG2 VAL 111 0.777 2.147 -8.654 837 3HG2 VAL 111 3HG2 VAL 111 -0.754 1.410 -9.237 838 H SER 112 H SER 112 3.158 1.311 -12.022 839 HA SER 112 HA SER 112 3.739 -0.983 -13.511 840 1HB SER 112 1HB SER 112 4.597 0.419 -15.126 841 2HB SER 112 2HB SER 112 3.496 1.466 -14.255 842 HG SER 112 HG SER 112 5.519 2.457 -14.647 843 H SER 113 H SER 113 5.671 0.710 -11.135 844 HA SER 113 HA SER 113 8.163 -0.504 -11.846 845 1HB SER 113 1HB SER 113 8.010 1.571 -10.548 846 2HB SER 113 2HB SER 113 7.276 0.678 -9.231 847 HG SER 113 HG SER 113 9.542 0.953 -8.949 848 H CYS 114 H CYS 114 6.461 -0.926 -8.752 849 HA CYS 114 HA CYS 114 6.386 -3.818 -9.121 850 1HB CYS 114 1HB CYS 114 8.662 -3.084 -8.237 851 2HB CYS 114 2HB CYS 114 7.810 -2.737 -6.745 852 H GLY 115 H GLY 115 4.334 -1.967 -9.028 853 1HA GLY 115 1HA GLY 115 3.044 -2.643 -6.448 854 2HA GLY 115 2HA GLY 115 2.961 -1.016 -7.096 855 H VAL 116 H VAL 116 2.978 -3.723 -9.268 856 HA VAL 116 HA VAL 116 0.462 -3.002 -10.404 857 HB VAL 116 HB VAL 116 2.091 -3.762 -11.864 858 1HG1 VAL 116 1HG1 VAL 116 3.518 -4.995 -10.326 859 2HG1 VAL 116 2HG1 VAL 116 2.288 -6.304 -10.231 860 3HG1 VAL 116 3HG1 VAL 116 3.146 -5.985 -11.780 861 1HG2 VAL 116 1HG2 VAL 116 0.029 -5.942 -11.527 862 2HG2 VAL 116 2HG2 VAL 116 -0.160 -4.419 -12.462 863 3HG2 VAL 116 3HG2 VAL 116 1.024 -5.663 -12.998 864 H ARG 117 H ARG 117 -1.333 -3.257 -9.188 865 HA ARG 117 HA ARG 117 -1.929 -6.026 -8.380 866 1HB ARG 117 1HB ARG 117 -1.876 -3.652 -6.586 867 2HB ARG 117 2HB ARG 117 -2.859 -5.060 -6.237 868 1HG ARG 117 1HG ARG 117 -0.999 -5.643 -5.113 869 2HG ARG 117 2HG ARG 117 -0.586 -6.297 -6.685 870 1HD ARG 117 1HD ARG 117 0.238 -3.626 -6.702 871 2HD ARG 117 2HD ARG 117 0.741 -4.287 -5.159 872 HE ARG 117 HE ARG 117 2.139 -4.626 -7.473 873 1HH1 ARG 117 1HH2 ARG 117 0.760 -6.758 -5.063 874 2HH1 ARG 117 2HH2 ARG 117 1.860 -8.062 -5.448 875 1HH2 ARG 117 1HH1 ARG 117 3.459 -6.336 -7.997 876 2HH2 ARG 117 2HH1 ARG 117 3.363 -7.825 -7.083 877 H CYS 118 H CYS 118 -3.693 -3.239 -7.216 878 HA CYS 118 HA CYS 118 -5.896 -3.931 -9.045 879 1HB CYS 118 1HB CYS 118 -5.732 -3.187 -6.311 880 2HB CYS 118 2HB CYS 118 -6.695 -2.005 -7.174 881 H MET 119 H MET 119 -3.315 -1.931 -8.973 882 HA MET 119 HA MET 119 -4.708 0.364 -10.156 883 1HB MET 119 1HB MET 119 -2.687 0.244 -8.415 884 2HB MET 119 2HB MET 119 -1.791 0.331 -9.918 885 1HG MET 119 1HG MET 119 -2.178 2.515 -10.038 886 2HG MET 119 2HG MET 119 -3.906 2.222 -10.025 887 1HE MET 119 1HE MET 119 -4.454 4.464 -8.748 888 2HE MET 119 2HE MET 119 -5.422 3.044 -8.222 889 3HE MET 119 3HE MET 119 -4.755 4.180 -6.999 890 H ARG 120 H ARG 120 -3.726 -2.519 -11.253 891 HA ARG 120 HA ARG 120 -3.507 -1.553 -13.975 892 1HB ARG 120 1HB ARG 120 -1.204 -1.383 -13.498 893 2HB ARG 120 2HB ARG 120 -1.206 -2.869 -12.569 894 1HG ARG 120 1HG ARG 120 -1.195 -4.207 -14.450 895 2HG ARG 120 2HG ARG 120 -2.011 -3.009 -15.435 896 1HD ARG 120 1HD ARG 120 0.045 -1.662 -15.470 897 2HD ARG 120 2HD ARG 120 0.855 -2.895 -14.525 898 HE ARG 120 HE ARG 120 -0.353 -3.856 -17.000 899 1HH1 ARG 120 1HH2 ARG 120 2.553 -2.550 -15.538 900 2HH1 ARG 120 2HH2 ARG 120 3.592 -3.202 -16.786 901 1HH2 ARG 120 1HH1 ARG 120 1.022 -4.676 -18.571 902 2HH2 ARG 120 2HH1 ARG 120 2.743 -4.380 -18.466 903 H GLN 121 H GLN 121 -2.538 -4.494 -12.268 904 HA GLN 121 HA GLN 121 -4.173 -6.073 -14.105 905 1HB GLN 121 1HB GLN 121 -1.882 -6.531 -12.417 906 2HB GLN 121 2HB GLN 121 -3.071 -7.812 -12.299 907 1HG GLN 121 1HG GLN 121 -2.262 -6.733 -14.994 908 2HG GLN 121 2HG GLN 121 -1.278 -7.947 -14.202 909 1HE2 GLN 121 2HE2 GLN 121 -1.677 -9.552 -15.768 910 2HE2 GLN 121 1HE2 GLN 121 -3.248 -10.304 -15.928 911 H THR 122 H THR 122 -4.892 -8.180 -12.550 912 HA THR 122 HA THR 122 -7.181 -7.065 -11.115 913 HB THR 122 HB THR 122 -8.159 -9.224 -11.445 914 HG1 THR 122 1HG THR 122 -6.845 -10.893 -12.336 915 1HG2 THR 122 1HG2 THR 122 -8.147 -7.811 -13.482 916 2HG2 THR 122 2HG2 THR 122 -6.567 -8.537 -13.938 917 3HG2 THR 122 3HG2 THR 122 -8.041 -9.563 -13.871 918 H ARG 123 H ARG 123 -7.620 -9.503 -9.593 919 HA ARG 123 HA ARG 123 -6.437 -8.890 -7.177 920 1HB ARG 123 1HB ARG 123 -8.155 -10.851 -8.102 921 2HB ARG 123 2HB ARG 123 -6.795 -11.739 -7.444 922 1HG ARG 123 1HG ARG 123 -7.380 -11.228 -5.333 923 2HG ARG 123 2HG ARG 123 -7.557 -9.530 -5.726 924 1HD ARG 123 1HD ARG 123 -9.726 -10.108 -5.134 925 2HD ARG 123 2HD ARG 123 -9.765 -10.298 -6.875 926 HE ARG 123 HE ARG 123 -10.074 -12.575 -6.616 927 1HH1 ARG 123 1HH2 ARG 123 -9.098 -11.182 -3.546 928 2HH1 ARG 123 2HH2 ARG 123 -9.284 -12.693 -2.685 929 1HH2 ARG 123 1HH1 ARG 123 -10.236 -14.507 -5.475 930 2HH2 ARG 123 2HH1 ARG 123 -9.916 -14.539 -3.755 931 H THR 124 H THR 124 -5.166 -10.907 -9.748 932 HA THR 124 HA THR 124 -2.617 -11.057 -8.261 933 HB THR 124 HB THR 124 -3.319 -13.264 -8.130 934 HG1 THR 124 1HG THR 124 -2.222 -14.391 -9.798 935 1HG2 THR 124 1HG2 THR 124 -5.413 -13.038 -9.465 936 2HG2 THR 124 2HG2 THR 124 -4.421 -13.057 -10.964 937 3HG2 THR 124 3HG2 THR 124 -4.485 -14.512 -9.908 938 H ASN 125 H ASN 125 -0.827 -10.904 -9.383 939 HA ASN 125 HA ASN 125 0.554 -10.373 -11.104 940 1HB ASN 125 1HB ASN 125 -1.361 -11.662 -12.484 941 2HB ASN 125 2HB ASN 125 -1.536 -10.058 -13.168 942 1HD2 ASN 125 2HD2 ASN 125 -0.957 -11.244 -15.160 943 2HD2 ASN 125 1HD2 ASN 125 0.742 -11.464 -15.514 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -24.135 -18.562 -29.807 2 2H ALA 1 2H ALA 1 -22.851 -19.128 -30.687 3 3H ALA 1 3H ALA 1 -23.396 -19.979 -29.376 4 HA ALA 1 HA ALA 1 -22.777 -18.212 -27.925 5 1HB ALA 1 1HB ALA 1 -21.208 -20.060 -28.287 6 2HB ALA 1 2HB ALA 1 -20.544 -19.208 -29.724 7 3HB ALA 1 3HB ALA 1 -20.330 -18.505 -28.084 8 H GLU 2 H GLU 2 -21.905 -16.163 -27.592 9 HA GLU 2 HA GLU 2 -21.158 -14.595 -29.959 10 1HB GLU 2 1HB GLU 2 -23.726 -14.512 -29.518 11 2HB GLU 2 2HB GLU 2 -23.280 -13.455 -28.193 12 1HG GLU 2 1HG GLU 2 -22.093 -11.983 -29.761 13 2HG GLU 2 2HG GLU 2 -22.525 -13.043 -31.088 14 H PHE 3 H PHE 3 -21.998 -14.376 -26.494 15 HA PHE 3 HA PHE 3 -19.376 -13.448 -25.777 16 1HB PHE 3 1HB PHE 3 -19.808 -11.205 -25.303 17 2HB PHE 3 2HB PHE 3 -20.504 -11.460 -26.890 18 HD1 PHE 3 1HD PHE 3 -22.958 -11.477 -27.222 19 HD2 PHE 3 2HD PHE 3 -21.203 -10.775 -23.343 20 HE1 PHE 3 1HE PHE 3 -25.143 -10.629 -26.380 21 HE2 PHE 3 2HE PHE 3 -23.414 -10.028 -22.476 22 HZ PHE 3 HZ PHE 3 -25.367 -9.901 -24.013 23 H MET 4 H MET 4 -19.071 -14.358 -23.859 24 HA MET 4 HA MET 4 -21.398 -14.505 -22.022 25 1HB MET 4 1HB MET 4 -20.515 -16.530 -21.164 26 2HB MET 4 2HB MET 4 -20.483 -16.663 -22.911 27 1HG MET 4 1HG MET 4 -18.074 -15.899 -22.813 28 2HG MET 4 2HG MET 4 -18.166 -16.094 -21.074 29 1HE MET 4 1HE MET 4 -16.132 -17.517 -23.180 30 2HE MET 4 2HE MET 4 -16.011 -17.677 -21.393 31 3HE MET 4 3HE MET 4 -16.024 -19.147 -22.429 32 H GLU 5 H GLU 5 -21.260 -13.589 -20.084 33 HA GLU 5 HA GLU 5 -18.893 -13.312 -18.587 34 1HB GLU 5 1HB GLU 5 -19.179 -11.310 -20.615 35 2HB GLU 5 2HB GLU 5 -19.336 -10.566 -19.037 36 1HG GLU 5 1HG GLU 5 -17.203 -11.300 -18.351 37 2HG GLU 5 2HG GLU 5 -17.113 -12.500 -19.624 38 H SER 6 H SER 6 -19.206 -11.715 -16.741 39 HA SER 6 HA SER 6 -21.630 -10.569 -16.052 40 1HB SER 6 1HB SER 6 -22.501 -12.334 -14.451 41 2HB SER 6 2HB SER 6 -22.812 -12.603 -16.154 42 HG SER 6 HG SER 6 -22.060 -14.493 -15.092 43 H LYS 7 H LYS 7 -21.411 -9.475 -14.177 44 HA LYS 7 HA LYS 7 -19.800 -10.410 -12.000 45 1HB LYS 7 1HB LYS 7 -18.272 -9.383 -14.007 46 2HB LYS 7 2HB LYS 7 -18.541 -7.965 -13.015 47 1HG LYS 7 1HG LYS 7 -17.730 -9.166 -11.040 48 2HG LYS 7 2HG LYS 7 -17.517 -10.620 -11.992 49 1HD LYS 7 1HD LYS 7 -15.893 -9.364 -13.427 50 2HD LYS 7 2HD LYS 7 -16.027 -8.015 -12.316 51 1HE LYS 7 1HE LYS 7 -15.509 -10.119 -10.625 52 2HE LYS 7 2HE LYS 7 -14.547 -10.526 -12.031 53 1HZ LYS 7 1HZ LYS 7 -13.562 -8.355 -11.926 54 2HZ LYS 7 2HZ LYS 7 -14.471 -7.971 -10.596 55 3HZ LYS 7 3HZ LYS 7 -13.328 -9.165 -10.500 56 H GLY 8 H GLY 8 -20.510 -9.522 -10.189 57 1HA GLY 8 1HA GLY 8 -21.605 -6.821 -10.149 58 2HA GLY 8 2HA GLY 8 -22.787 -8.092 -9.916 59 H GLU 9 H GLU 9 -19.867 -6.594 -8.659 60 HA GLU 9 HA GLU 9 -20.676 -7.463 -5.969 61 1HB GLU 9 1HB GLU 9 -18.675 -8.811 -7.278 62 2HB GLU 9 2HB GLU 9 -17.791 -7.626 -6.339 63 1HG GLU 9 1HG GLU 9 -18.141 -8.801 -4.461 64 2HG GLU 9 2HG GLU 9 -19.873 -8.747 -4.717 65 H ARG 10 H ARG 10 -19.979 -6.128 -4.276 66 HA ARG 10 HA ARG 10 -19.863 -3.404 -4.795 67 1HB ARG 10 1HB ARG 10 -20.011 -4.888 -2.554 68 2HB ARG 10 2HB ARG 10 -18.364 -4.303 -2.427 69 1HG ARG 10 1HG ARG 10 -19.413 -2.526 -1.434 70 2HG ARG 10 2HG ARG 10 -19.569 -2.005 -3.100 71 1HD ARG 10 1HD ARG 10 -21.697 -3.792 -2.078 72 2HD ARG 10 2HD ARG 10 -21.666 -2.169 -1.419 73 HE ARG 10 HE ARG 10 -21.476 -1.735 -4.112 74 1HH1 ARG 10 1HH2 ARG 10 -23.735 -3.535 -2.142 75 2HH1 ARG 10 2HH2 ARG 10 -25.063 -3.281 -3.252 76 1HH2 ARG 10 1HH1 ARG 10 -23.190 -1.427 -5.512 77 2HH2 ARG 10 2HH1 ARG 10 -24.758 -2.104 -5.133 78 H GLU 11 H GLU 11 -18.125 -1.856 -4.395 79 HA GLU 11 HA GLU 11 -15.771 -2.636 -5.904 80 1HB GLU 11 1HB GLU 11 -17.110 -0.350 -5.870 81 2HB GLU 11 2HB GLU 11 -15.957 0.018 -4.603 82 1HG GLU 11 1HG GLU 11 -15.029 0.756 -6.707 83 2HG GLU 11 2HG GLU 11 -14.120 -0.640 -6.165 84 H GLY 12 H GLY 12 -14.031 -3.546 -5.042 85 1HA GLY 12 1HA GLY 12 -12.256 -3.811 -3.579 86 2HA GLY 12 2HA GLY 12 -12.903 -2.533 -2.571 87 H SER 13 H SER 13 -12.639 -5.912 -3.112 88 HA SER 13 HA SER 13 -14.496 -6.478 -0.865 89 1HB SER 13 1HB SER 13 -14.663 -7.599 -3.255 90 2HB SER 13 2HB SER 13 -13.462 -8.671 -2.565 91 HG SER 13 HG SER 13 -15.600 -9.397 -2.196 92 H SER 14 H SER 14 -12.705 -5.605 0.505 93 HA SER 14 HA SER 14 -10.254 -7.010 0.727 94 1HB SER 14 1HB SER 14 -9.877 -5.779 2.632 95 2HB SER 14 2HB SER 14 -10.935 -4.756 1.680 96 HG SER 14 HG SER 14 -11.527 -4.832 3.871 97 H SER 15 H SER 15 -9.538 -8.659 2.006 98 HA SER 15 HA SER 15 -11.357 -10.744 2.554 99 1HB SER 15 1HB SER 15 -8.642 -10.540 2.425 100 2HB SER 15 2HB SER 15 -8.894 -10.761 4.144 101 HG SER 15 HG SER 15 -8.691 -12.749 3.026 102 H GLN 16 H GLN 16 -10.408 -11.556 5.187 103 HA GLN 16 HA GLN 16 -12.449 -10.627 6.812 104 1HB GLN 16 1HB GLN 16 -10.762 -12.567 7.127 105 2HB GLN 16 2HB GLN 16 -9.800 -11.369 7.971 106 1HG GLN 16 1HG GLN 16 -11.057 -11.704 9.799 107 2HG GLN 16 2HG GLN 16 -12.439 -11.079 8.922 108 1HE2 GLN 16 2HE2 GLN 16 -10.694 -13.956 9.912 109 2HE2 GLN 16 1HE2 GLN 16 -11.966 -15.102 9.556 110 H GLN 17 H GLN 17 -9.107 -9.409 6.579 111 HA GLN 17 HA GLN 17 -9.817 -6.729 7.023 112 1HB GLN 17 1HB GLN 17 -10.134 -7.954 9.358 113 2HB GLN 17 2HB GLN 17 -8.409 -7.663 9.454 114 1HG GLN 17 1HG GLN 17 -8.751 -5.292 9.075 115 2HG GLN 17 2HG GLN 17 -10.469 -5.548 8.847 116 1HE2 GLN 17 2HE2 GLN 17 -11.429 -4.563 10.520 117 2HE2 GLN 17 1HE2 GLN 17 -11.036 -4.836 12.202 118 H CYS 18 H CYS 18 -8.285 -8.039 5.174 119 HA CYS 18 HA CYS 18 -5.519 -8.099 5.771 120 1HB CYS 18 1HB CYS 18 -7.066 -8.657 3.557 121 2HB CYS 18 2HB CYS 18 -6.091 -7.287 3.063 122 H ARG 19 H ARG 19 -7.689 -5.499 4.689 123 HA ARG 19 HA ARG 19 -6.206 -3.420 3.988 124 1HB ARG 19 1HB ARG 19 -7.576 -2.115 5.826 125 2HB ARG 19 2HB ARG 19 -8.320 -2.755 4.375 126 1HG ARG 19 1HG ARG 19 -8.254 -4.640 6.607 127 2HG ARG 19 2HG ARG 19 -9.207 -3.203 6.910 128 1HD ARG 19 1HD ARG 19 -9.501 -4.782 4.375 129 2HD ARG 19 2HD ARG 19 -10.405 -5.186 5.821 130 HE ARG 19 HE ARG 19 -11.577 -3.112 5.677 131 1HH1 ARG 19 1HH2 ARG 19 -9.373 -3.582 2.986 132 2HH1 ARG 19 2HH2 ARG 19 -10.151 -2.354 2.012 133 1HH2 ARG 19 1HH1 ARG 19 -12.538 -1.557 4.383 134 2HH2 ARG 19 2HH1 ARG 19 -11.902 -1.234 2.786 135 H GLN 20 H GLN 20 -6.554 -4.276 7.442 136 HA GLN 20 HA GLN 20 -4.671 -2.429 8.400 137 1HB GLN 20 1HB GLN 20 -6.323 -3.802 9.733 138 2HB GLN 20 2HB GLN 20 -5.197 -5.135 9.584 139 1HG GLN 20 1HG GLN 20 -3.495 -3.249 10.443 140 2HG GLN 20 2HG GLN 20 -4.966 -2.640 11.173 141 1HE2 GLN 20 2HE2 GLN 20 -3.562 -5.878 10.572 142 2HE2 GLN 20 1HE2 GLN 20 -3.682 -6.434 12.227 143 H GLU 21 H GLU 21 -4.118 -5.974 8.166 144 HA GLU 21 HA GLU 21 -1.349 -5.844 8.246 145 1HB GLU 21 1HB GLU 21 -3.140 -7.827 6.908 146 2HB GLU 21 2HB GLU 21 -1.406 -8.034 7.054 147 1HG GLU 21 1HG GLU 21 -1.512 -8.474 9.285 148 2HG GLU 21 2HG GLU 21 -2.831 -7.352 9.548 149 H VAL 22 H VAL 22 -3.285 -4.695 5.737 150 HA VAL 22 HA VAL 22 -1.320 -5.015 3.646 151 HB VAL 22 HB VAL 22 -4.115 -4.296 3.865 152 1HG1 VAL 22 1HG1 VAL 22 -3.345 -2.102 3.203 153 2HG1 VAL 22 2HG1 VAL 22 -2.425 -2.830 1.841 154 3HG1 VAL 22 3HG1 VAL 22 -4.221 -2.901 1.852 155 1HG2 VAL 22 1HG2 VAL 22 -2.459 -5.445 1.625 156 2HG2 VAL 22 2HG2 VAL 22 -3.408 -6.364 2.845 157 3HG2 VAL 22 3HG2 VAL 22 -4.253 -5.322 1.648 158 H GLN 23 H GLN 23 -2.550 -2.593 5.889 159 HA GLN 23 HA GLN 23 -0.997 -0.473 4.704 160 1HB GLN 23 1HB GLN 23 -1.957 0.932 6.248 161 2HB GLN 23 2HB GLN 23 -3.204 -0.244 5.886 162 1HG GLN 23 1HG GLN 23 -3.418 -0.601 8.059 163 2HG GLN 23 2HG GLN 23 -1.804 -1.282 8.063 164 1HE2 GLN 23 2HE2 GLN 23 -1.276 -0.569 10.130 165 2HE2 GLN 23 1HE2 GLN 23 -1.022 1.123 10.496 166 H ARG 24 H ARG 24 0.661 -2.633 5.252 167 HA ARG 24 HA ARG 24 2.556 -1.380 7.071 168 1HB ARG 24 1HB ARG 24 2.874 -3.560 8.304 169 2HB ARG 24 2HB ARG 24 1.428 -2.655 8.702 170 1HG ARG 24 1HG ARG 24 0.099 -4.082 7.299 171 2HG ARG 24 2HG ARG 24 1.530 -4.933 6.756 172 1HD ARG 24 1HD ARG 24 0.481 -6.307 8.382 173 2HD ARG 24 2HD ARG 24 1.904 -5.619 9.139 174 HE ARG 24 HE ARG 24 -0.425 -3.987 9.588 175 1HH1 ARG 24 1HH2 ARG 24 1.199 -6.872 10.693 176 2HH1 ARG 24 2HH2 ARG 24 0.485 -6.789 12.289 177 1HH2 ARG 24 1HH1 ARG 24 -1.326 -3.901 11.626 178 2HH2 ARG 24 2HH1 ARG 24 -0.927 -5.126 12.809 179 H LYS 25 H LYS 25 1.691 -4.096 4.987 180 HA LYS 25 HA LYS 25 4.491 -4.183 4.051 181 1HB LYS 25 1HB LYS 25 4.281 -6.548 3.743 182 2HB LYS 25 2HB LYS 25 3.985 -6.110 5.414 183 1HG LYS 25 1HG LYS 25 1.520 -6.146 4.795 184 2HG LYS 25 2HG LYS 25 2.027 -6.983 3.341 185 1HD LYS 25 1HD LYS 25 1.915 -8.874 4.487 186 2HD LYS 25 2HD LYS 25 3.292 -8.321 5.418 187 1HE LYS 25 1HE LYS 25 1.300 -7.006 6.665 188 2HE LYS 25 2HE LYS 25 0.456 -8.452 6.152 189 1HZ LYS 25 1HZ LYS 25 2.154 -9.755 7.194 190 2HZ LYS 25 2HZ LYS 25 2.952 -8.388 7.679 191 3HZ LYS 25 3HZ LYS 25 1.454 -8.733 8.293 192 H ASP 26 H ASP 26 1.162 -5.109 3.165 193 HA ASP 26 HA ASP 26 1.586 -5.218 0.393 194 1HB ASP 26 1HB ASP 26 -0.898 -4.336 1.793 195 2HB ASP 26 2HB ASP 26 -0.773 -5.010 0.181 196 H LEU 27 H LEU 27 0.081 -3.551 -1.002 197 HA LEU 27 HA LEU 27 1.461 -1.257 -1.368 198 1HB LEU 27 1HB LEU 27 -1.455 -1.762 -1.766 199 2HB LEU 27 2HB LEU 27 -0.632 -0.334 -2.363 200 HG LEU 27 HG LEU 27 -0.267 -1.442 -4.205 201 1HD1 LEU 27 1HD1 LEU 27 1.953 -1.710 -3.333 202 2HD1 LEU 27 2HD1 LEU 27 1.465 -3.260 -2.565 203 3HD1 LEU 27 3HD1 LEU 27 1.482 -3.111 -4.357 204 1HD2 LEU 27 1HD2 LEU 27 -0.982 -3.988 -2.787 205 2HD2 LEU 27 2HD2 LEU 27 -2.084 -2.930 -3.736 206 3HD2 LEU 27 3HD2 LEU 27 -0.743 -3.800 -4.559 207 H SER 28 H SER 28 2.209 -0.065 0.309 208 HA SER 28 HA SER 28 0.270 1.392 1.931 209 1HB SER 28 1HB SER 28 0.463 -0.676 3.287 210 2HB SER 28 2HB SER 28 2.193 -0.415 3.382 211 HG SER 28 HG SER 28 1.073 0.472 5.204 212 H SER 29 H SER 29 2.132 1.958 -0.121 213 HA SER 29 HA SER 29 3.469 4.155 1.052 214 1HB SER 29 1HB SER 29 4.890 1.895 1.560 215 2HB SER 29 2HB SER 29 5.560 2.381 0.017 216 HG SER 29 HG SER 29 6.655 3.335 1.786 217 H CYS 30 H CYS 30 3.205 1.797 -1.588 218 HA CYS 30 HA CYS 30 4.509 3.104 -3.634 219 1HB CYS 30 1HB CYS 30 1.808 1.825 -3.869 220 2HB CYS 30 2HB CYS 30 3.009 2.001 -5.132 221 H GLU 31 H GLU 31 1.103 3.555 -2.650 222 HA GLU 31 HA GLU 31 0.798 5.866 -4.329 223 1HB GLU 31 1HB GLU 31 -0.862 4.275 -2.602 224 2HB GLU 31 2HB GLU 31 -1.107 5.978 -2.268 225 1HG GLU 31 1HG GLU 31 -1.273 4.666 -4.971 226 2HG GLU 31 2HG GLU 31 -2.635 5.195 -4.005 227 H ARG 32 H ARG 32 1.733 5.333 -0.967 228 HA ARG 32 HA ARG 32 1.613 7.993 -0.064 229 1HB ARG 32 1HB ARG 32 2.121 5.791 1.201 230 2HB ARG 32 2HB ARG 32 3.785 6.134 0.772 231 1HG ARG 32 1HG ARG 32 3.923 7.908 2.185 232 2HG ARG 32 2HG ARG 32 2.263 8.392 1.903 233 1HD ARG 32 1HD ARG 32 2.785 5.861 3.401 234 2HD ARG 32 2HD ARG 32 2.981 7.390 4.235 235 HE ARG 32 HE ARG 32 0.500 6.123 3.533 236 1HH1 ARG 32 1HH2 ARG 32 1.987 9.281 3.860 237 2HH1 ARG 32 2HH2 ARG 32 0.457 10.084 4.139 238 1HH2 ARG 32 1HH1 ARG 32 -1.441 7.195 3.881 239 2HH2 ARG 32 2HH1 ARG 32 -1.445 8.924 4.149 240 H TYR 33 H TYR 33 4.060 6.370 -2.034 241 HA TYR 33 HA TYR 33 6.195 8.127 -1.782 242 1HB TYR 33 1HB TYR 33 6.253 5.949 -2.861 243 2HB TYR 33 2HB TYR 33 5.148 6.514 -4.099 244 HD1 TYR 33 1HD TYR 33 5.986 7.300 -6.127 245 HD2 TYR 33 2HD TYR 33 8.486 7.313 -2.618 246 HE1 TYR 33 1HE TYR 33 7.936 7.959 -7.536 247 HE2 TYR 33 2HE TYR 33 10.404 8.074 -4.006 248 HH TYR 33 HH TYR 33 11.143 8.546 -6.049 249 H LEU 34 H LEU 34 3.583 8.047 -4.236 250 HA LEU 34 HA LEU 34 4.389 10.596 -5.304 251 1HB LEU 34 1HB LEU 34 2.505 10.355 -6.763 252 2HB LEU 34 2HB LEU 34 3.390 8.845 -6.667 253 HG LEU 34 HG LEU 34 1.597 8.305 -4.853 254 1HD1 LEU 34 1HD1 LEU 34 0.519 10.481 -4.836 255 2HD1 LEU 34 2HD1 LEU 34 0.157 10.322 -6.591 256 3HD1 LEU 34 3HD1 LEU 34 -0.626 9.218 -5.407 257 1HD2 LEU 34 1HD2 LEU 34 1.102 8.163 -7.821 258 2HD2 LEU 34 2HD2 LEU 34 2.029 6.989 -6.824 259 3HD2 LEU 34 3HD2 LEU 34 0.259 7.183 -6.572 260 H ARG 35 H ARG 35 2.329 9.519 -2.730 261 HA ARG 35 HA ARG 35 0.729 11.890 -2.559 262 1HB ARG 35 1HB ARG 35 0.218 9.587 -1.599 263 2HB ARG 35 2HB ARG 35 1.318 10.012 -0.303 264 1HG ARG 35 1HG ARG 35 -0.854 11.912 -1.062 265 2HG ARG 35 2HG ARG 35 -1.241 10.519 -0.070 266 1HD ARG 35 1HD ARG 35 0.992 11.505 1.167 267 2HD ARG 35 2HD ARG 35 0.193 12.968 0.626 268 HE ARG 35 HE ARG 35 -0.729 11.110 2.682 269 1HH1 ARG 35 1HH2 ARG 35 -1.585 13.754 0.547 270 2HH1 ARG 35 2HH2 ARG 35 -2.991 14.190 1.492 271 1HH2 ARG 35 1HH1 ARG 35 -2.540 11.682 3.845 272 2HH2 ARG 35 2HH1 ARG 35 -3.526 13.033 3.334 273 H GLN 36 H GLN 36 3.690 10.742 -1.007 274 HA GLN 36 HA GLN 36 3.969 13.100 0.612 275 1HB GLN 36 1HB GLN 36 5.048 10.484 0.586 276 2HB GLN 36 2HB GLN 36 6.386 11.608 0.466 277 1HG GLN 36 1HG GLN 36 6.035 12.455 2.545 278 2HG GLN 36 2HG GLN 36 4.293 12.304 2.423 279 1HE2 GLN 36 2HE2 GLN 36 3.726 11.209 4.219 280 2HE2 GLN 36 1HE2 GLN 36 4.356 9.636 4.655 281 H SER 37 H SER 37 6.672 13.594 0.489 282 HA SER 37 HA SER 37 6.783 15.197 -1.945 283 1HB SER 37 1HB SER 37 7.393 16.142 0.254 284 2HB SER 37 2HB SER 37 8.731 15.013 0.341 285 HG SER 37 HG SER 37 9.362 17.060 -0.451 286 H SER 38 H SER 38 9.260 13.213 -0.305 287 HA SER 38 HA SER 38 9.888 11.304 -2.078 288 1HB SER 38 1HB SER 38 10.183 12.344 -4.055 289 2HB SER 38 2HB SER 38 10.565 13.883 -3.310 290 HG SER 38 HG SER 38 12.340 12.978 -4.409 291 H SER 39 H SER 39 10.628 10.512 -0.129 292 HA SER 39 HA SER 39 13.454 10.965 0.273 293 1HB SER 39 1HB SER 39 11.467 12.098 2.191 294 2HB SER 39 2HB SER 39 12.956 11.419 2.819 295 HG SER 39 HG SER 39 13.121 13.649 2.392 296 H ARG 40 H ARG 40 13.994 9.757 2.555 297 HA ARG 40 HA ARG 40 12.272 7.478 3.065 298 1HB ARG 40 1HB ARG 40 13.647 6.954 0.957 299 2HB ARG 40 2HB ARG 40 15.026 6.881 2.035 300 1HG ARG 40 1HG ARG 40 12.702 5.388 2.994 301 2HG ARG 40 2HG ARG 40 13.345 4.786 1.480 302 1HD ARG 40 1HD ARG 40 15.530 5.309 3.239 303 2HD ARG 40 2HD ARG 40 14.346 4.345 4.098 304 HE ARG 40 HE ARG 40 14.806 2.542 2.718 305 1HH1 ARG 40 1HH2 ARG 40 16.148 5.441 1.290 306 2HH1 ARG 40 2HH2 ARG 40 16.992 4.557 0.038 307 1HH2 ARG 40 1HH1 ARG 40 15.896 1.440 1.107 308 2HH2 ARG 40 2HH1 ARG 40 16.852 2.322 -0.064 309 H ARG 41 H ARG 41 12.292 8.353 5.163 310 HA ARG 41 HA ARG 41 14.333 9.176 6.735 311 1HB ARG 41 1HB ARG 41 12.124 7.287 7.476 312 2HB ARG 41 2HB ARG 41 13.193 8.023 8.652 313 1HG ARG 41 1HG ARG 41 11.615 9.645 8.705 314 2HG ARG 41 2HG ARG 41 12.418 10.208 7.253 315 1HD ARG 41 1HD ARG 41 10.490 9.939 6.146 316 2HD ARG 41 2HD ARG 41 10.629 8.212 6.409 317 HE ARG 41 HE ARG 41 9.523 9.531 8.710 318 1HH1 ARG 41 1HH2 ARG 41 8.670 8.412 5.512 319 2HH1 ARG 41 2HH2 ARG 41 6.982 8.211 5.924 320 1HH2 ARG 41 1HH1 ARG 41 7.360 9.254 9.206 321 2HH2 ARG 41 2HH1 ARG 41 6.254 8.681 7.979 322 H SER 42 H SER 42 16.351 8.480 6.896 323 HA SER 42 HA SER 42 16.920 5.618 6.666 324 1HB SER 42 1HB SER 42 18.529 8.102 6.541 325 2HB SER 42 2HB SER 42 19.334 6.635 7.061 326 HG SER 42 HG SER 42 19.432 6.926 4.783 327 H THR 43 H THR 43 16.052 4.793 8.542 328 HA THR 43 HA THR 43 17.081 5.804 11.094 329 HB THR 43 HB THR 43 15.054 3.627 10.718 330 HG1 THR 43 1HG THR 43 13.566 5.397 10.732 331 1HG2 THR 43 1HG2 THR 43 15.888 4.084 13.045 332 2HG2 THR 43 2HG2 THR 43 15.415 5.805 12.826 333 3HG2 THR 43 3HG2 THR 43 14.157 4.522 12.835 334 H GLY 44 H GLY 44 16.563 2.938 12.146 335 1HA GLY 44 1HA GLY 44 19.327 2.044 11.778 336 2HA GLY 44 2HA GLY 44 18.177 1.456 12.962 337 H GLU 45 H GLU 45 17.444 -0.525 12.653 338 HA GLU 45 HA GLU 45 17.831 -1.787 10.045 339 1HB GLU 45 1HB GLU 45 17.617 -3.821 11.117 340 2HB GLU 45 2HB GLU 45 18.345 -2.811 12.350 341 1HG GLU 45 1HG GLU 45 15.834 -2.355 13.006 342 2HG GLU 45 2HG GLU 45 15.565 -3.878 12.181 343 H GLU 46 H GLU 46 15.790 0.351 10.447 344 HA GLU 46 HA GLU 46 13.239 -0.964 10.303 345 1HB GLU 46 1HB GLU 46 13.972 1.512 10.997 346 2HB GLU 46 2HB GLU 46 13.522 1.807 9.329 347 1HG GLU 46 1HG GLU 46 11.366 0.561 9.818 348 2HG GLU 46 2HG GLU 46 11.813 0.618 11.511 349 H VAL 47 H VAL 47 12.251 0.825 8.166 350 HA VAL 47 HA VAL 47 12.709 -0.928 5.914 351 HB VAL 47 HB VAL 47 11.097 1.584 6.164 352 1HG1 VAL 47 1HG1 VAL 47 11.675 1.063 3.837 353 2HG1 VAL 47 2HG1 VAL 47 11.072 -0.614 4.074 354 3HG1 VAL 47 3HG1 VAL 47 9.930 0.771 4.150 355 1HG2 VAL 47 1HG2 VAL 47 10.262 -1.330 6.355 356 2HG2 VAL 47 2HG2 VAL 47 10.328 -0.165 7.721 357 3HG2 VAL 47 3HG2 VAL 47 9.151 0.083 6.383 358 H LEU 48 H LEU 48 15.130 -0.164 6.401 359 HA LEU 48 HA LEU 48 15.748 1.672 4.215 360 1HB LEU 48 1HB LEU 48 17.319 2.942 5.478 361 2HB LEU 48 2HB LEU 48 15.732 3.047 6.212 362 HG LEU 48 HG LEU 48 17.467 0.948 7.293 363 1HD1 LEU 48 1HD1 LEU 48 19.122 2.689 6.864 364 2HD1 LEU 48 2HD1 LEU 48 18.075 3.883 7.708 365 3HD1 LEU 48 3HD1 LEU 48 18.806 2.522 8.626 366 1HD2 LEU 48 1HD2 LEU 48 15.757 3.134 8.507 367 2HD2 LEU 48 2HD2 LEU 48 15.246 1.440 8.190 368 3HD2 LEU 48 3HD2 LEU 48 16.523 1.781 9.409 369 H ARG 49 H ARG 49 15.709 -1.136 4.277 370 HA ARG 49 HA ARG 49 18.187 -2.315 4.874 371 1HB ARG 49 1HB ARG 49 15.815 -3.210 3.893 372 2HB ARG 49 2HB ARG 49 16.845 -3.346 2.483 373 1HG ARG 49 1HG ARG 49 18.514 -4.562 3.910 374 2HG ARG 49 2HG ARG 49 17.338 -4.550 5.208 375 1HD ARG 49 1HD ARG 49 15.754 -5.768 3.736 376 2HD ARG 49 2HD ARG 49 16.996 -5.843 2.502 377 HE ARG 49 HE ARG 49 17.811 -6.928 5.077 378 1HH1 ARG 49 1HH2 ARG 49 16.333 -7.671 1.991 379 2HH1 ARG 49 2HH2 ARG 49 16.699 -9.377 2.112 380 1HH2 ARG 49 1HH1 ARG 49 18.259 -9.115 5.202 381 2HH2 ARG 49 2HH1 ARG 49 17.774 -10.181 3.903 382 H MET 50 H MET 50 19.670 -3.250 3.170 383 HA MET 50 HA MET 50 20.045 -1.910 0.704 384 1HB MET 50 1HB MET 50 21.120 -0.569 3.022 385 2HB MET 50 2HB MET 50 22.368 -0.976 1.862 386 1HG MET 50 1HG MET 50 21.468 0.369 0.221 387 2HG MET 50 2HG MET 50 19.845 0.253 0.871 388 1HE MET 50 1HE MET 50 20.064 2.980 0.136 389 2HE MET 50 2HE MET 50 18.874 2.457 1.378 390 3HE MET 50 3HE MET 50 19.868 3.931 1.649 391 HA PRO 51 HA PRO 51 22.355 -5.739 1.180 392 1HB PRO 51 1HB PRO 51 21.613 -6.815 -1.250 393 2HB PRO 51 2HB PRO 51 20.784 -7.106 0.266 394 1HG PRO 51 1HG PRO 51 19.955 -5.425 -1.999 395 2HG PRO 51 2HG PRO 51 18.982 -6.061 -0.688 396 1HD PRO 51 1HD PRO 51 19.980 -3.401 -0.967 397 2HD PRO 51 2HD PRO 51 19.075 -4.058 0.382 398 H GLY 52 H GLY 52 22.269 -3.255 -1.186 399 1HA GLY 52 1HA GLY 52 25.089 -3.814 -1.859 400 2HA GLY 52 2HA GLY 52 23.931 -3.475 -3.129 401 H ASP 53 H ASP 53 22.771 -1.402 -3.039 402 HA ASP 53 HA ASP 53 23.761 0.698 -1.335 403 1HB ASP 53 1HB ASP 53 25.076 0.221 -3.902 404 2HB ASP 53 2HB ASP 53 24.457 1.850 -3.717 405 H GLU 54 H GLU 54 22.986 0.878 -4.782 406 HA GLU 54 HA GLU 54 20.826 2.716 -4.318 407 1HB GLU 54 1HB GLU 54 20.547 2.458 -6.835 408 2HB GLU 54 2HB GLU 54 22.063 3.138 -6.280 409 1HG GLU 54 1HG GLU 54 22.116 0.222 -6.518 410 2HG GLU 54 2HG GLU 54 21.825 1.042 -8.039 411 H ASN 55 H ASN 55 19.881 0.894 -2.828 412 HA ASN 55 HA ASN 55 18.519 -0.912 -2.485 413 1HB ASN 55 1HB ASN 55 16.329 -0.395 -3.244 414 2HB ASN 55 2HB ASN 55 17.161 1.125 -2.987 415 1HD2 ASN 55 2HD2 ASN 55 17.712 2.433 -4.811 416 2HD2 ASN 55 1HD2 ASN 55 16.983 2.119 -6.369 417 H GLN 56 H GLN 56 16.641 -2.157 -4.119 418 HA GLN 56 HA GLN 56 18.328 -3.463 -6.157 419 1HB GLN 56 1HB GLN 56 16.417 -4.375 -4.173 420 2HB GLN 56 2HB GLN 56 16.204 -5.100 -5.753 421 1HG GLN 56 1HG GLN 56 18.986 -5.015 -5.143 422 2HG GLN 56 2HG GLN 56 18.132 -5.739 -3.795 423 1HE2 GLN 56 2HE2 GLN 56 19.983 -6.999 -5.631 424 2HE2 GLN 56 1HE2 GLN 56 19.105 -8.309 -6.387 425 H GLN 57 H GLN 57 17.725 -1.432 -7.449 426 HA GLN 57 HA GLN 57 15.630 -2.176 -9.277 427 1HB GLN 57 1HB GLN 57 14.614 -0.765 -7.226 428 2HB GLN 57 2HB GLN 57 15.128 0.548 -8.266 429 1HG GLN 57 1HG GLN 57 12.821 -0.081 -8.753 430 2HG GLN 57 2HG GLN 57 13.858 -0.426 -10.122 431 1HE2 GLN 57 2HE2 GLN 57 13.578 -2.313 -11.066 432 2HE2 GLN 57 1HE2 GLN 57 12.948 -3.757 -10.306 433 H GLN 58 H GLN 58 15.484 -0.645 -11.105 434 HA GLN 58 HA GLN 58 17.937 -0.189 -12.258 435 1HB GLN 58 1HB GLN 58 15.254 0.358 -12.879 436 2HB GLN 58 2HB GLN 58 16.135 1.853 -13.122 437 1HG GLN 58 1HG GLN 58 17.840 0.440 -14.396 438 2HG GLN 58 2HG GLN 58 16.619 -0.818 -14.397 439 1HE2 GLN 58 2HE2 GLN 58 17.001 -0.496 -16.787 440 2HE2 GLN 58 1HE2 GLN 58 15.951 0.653 -17.586 441 H GLU 59 H GLU 59 15.920 2.321 -10.694 442 HA GLU 59 HA GLU 59 18.151 3.582 -9.469 443 1HB GLU 59 1HB GLU 59 17.970 5.748 -10.781 444 2HB GLU 59 2HB GLU 59 18.870 4.438 -11.518 445 1HG GLU 59 1HG GLU 59 16.681 3.842 -12.712 446 2HG GLU 59 2HG GLU 59 16.119 5.423 -12.210 447 H SER 60 H SER 60 16.667 3.300 -7.752 448 HA SER 60 HA SER 60 15.225 5.591 -7.069 449 1HB SER 60 1HB SER 60 13.764 4.274 -8.960 450 2HB SER 60 2HB SER 60 13.105 3.626 -7.472 451 HG SER 60 HG SER 60 12.056 5.566 -8.122 452 H GLN 61 H GLN 61 16.235 5.243 -5.129 453 HA GLN 61 HA GLN 61 16.095 2.771 -3.720 454 1HB GLN 61 1HB GLN 61 16.916 4.026 -1.810 455 2HB GLN 61 2HB GLN 61 17.812 4.421 -3.263 456 1HG GLN 61 1HG GLN 61 15.832 6.282 -3.333 457 2HG GLN 61 2HG GLN 61 16.074 6.106 -1.607 458 1HE2 GLN 61 2HE2 GLN 61 16.581 8.506 -2.340 459 2HE2 GLN 61 1HE2 GLN 61 18.294 8.822 -2.507 460 H GLN 62 H GLN 62 13.951 5.514 -3.943 461 HA GLN 62 HA GLN 62 12.403 4.857 -1.616 462 1HB GLN 62 1HB GLN 62 11.844 6.564 -4.016 463 2HB GLN 62 2HB GLN 62 10.765 6.423 -2.642 464 1HG GLN 62 1HG GLN 62 11.921 8.029 -1.612 465 2HG GLN 62 2HG GLN 62 13.322 6.975 -1.598 466 1HE2 GLN 62 2HE2 GLN 62 11.719 9.633 -3.173 467 2HE2 GLN 62 1HE2 GLN 62 13.055 10.106 -4.199 468 H LEU 63 H LEU 63 11.756 4.548 -5.150 469 HA LEU 63 HA LEU 63 9.350 3.164 -4.970 470 1HB LEU 63 1HB LEU 63 11.183 3.851 -6.945 471 2HB LEU 63 2HB LEU 63 11.039 2.108 -7.053 472 HG LEU 63 HG LEU 63 8.724 3.990 -7.101 473 1HD1 LEU 63 1HD1 LEU 63 10.116 4.421 -9.044 474 2HD1 LEU 63 2HD1 LEU 63 10.136 2.663 -9.422 475 3HD1 LEU 63 3HD1 LEU 63 8.597 3.587 -9.523 476 1HD2 LEU 63 1HD2 LEU 63 8.950 1.049 -7.724 477 2HD2 LEU 63 2HD2 LEU 63 8.163 1.787 -6.286 478 3HD2 LEU 63 3HD2 LEU 63 7.471 2.051 -7.924 479 H GLN 64 H GLN 64 12.627 2.019 -4.382 480 HA GLN 64 HA GLN 64 12.195 -0.732 -4.426 481 1HB GLN 64 1HB GLN 64 14.342 -0.644 -3.889 482 2HB GLN 64 2HB GLN 64 14.192 1.063 -3.523 483 1HG GLN 64 1HG GLN 64 15.055 0.011 -1.568 484 2HG GLN 64 2HG GLN 64 13.379 0.402 -1.236 485 1HE2 GLN 64 2HE2 GLN 64 14.124 -1.306 0.472 486 2HE2 GLN 64 1HE2 GLN 64 13.724 -2.963 0.080 487 H GLN 65 H GLN 65 11.401 1.646 -1.915 488 HA GLN 65 HA GLN 65 10.721 -0.117 0.136 489 1HB GLN 65 1HB GLN 65 10.656 2.635 -0.286 490 2HB GLN 65 2HB GLN 65 8.994 2.189 0.043 491 1HG GLN 65 1HG GLN 65 9.691 1.035 2.068 492 2HG GLN 65 2HG GLN 65 11.363 1.435 1.733 493 1HE2 GLN 65 2HE2 GLN 65 12.021 2.888 3.176 494 2HE2 GLN 65 1HE2 GLN 65 11.154 4.344 3.612 495 H CYS 66 H CYS 66 8.844 1.046 -2.673 496 HA CYS 66 HA CYS 66 6.413 -0.199 -1.842 497 1HB CYS 66 1HB CYS 66 6.263 1.546 -3.417 498 2HB CYS 66 2HB CYS 66 7.439 0.781 -4.468 499 H CYS 67 H CYS 67 9.019 -1.176 -4.166 500 HA CYS 67 HA CYS 67 7.889 -3.652 -4.821 501 1HB CYS 67 1HB CYS 67 9.971 -2.405 -5.733 502 2HB CYS 67 2HB CYS 67 10.827 -3.312 -4.502 503 H ASN 68 H ASN 68 10.303 -2.903 -2.283 504 HA ASN 68 HA ASN 68 10.381 -5.455 -1.122 505 1HB ASN 68 1HB ASN 68 11.975 -3.659 -0.596 506 2HB ASN 68 2HB ASN 68 10.696 -2.770 0.206 507 1HD2 ASN 68 2HD2 ASN 68 11.429 -2.778 2.270 508 2HD2 ASN 68 1HD2 ASN 68 11.739 -4.226 3.202 509 H GLN 69 H GLN 69 8.078 -2.832 -0.854 510 HA GLN 69 HA GLN 69 6.732 -3.858 1.463 511 1HB GLN 69 1HB GLN 69 6.220 -1.696 -0.503 512 2HB GLN 69 2HB GLN 69 4.899 -2.252 0.504 513 1HG GLN 69 1HG GLN 69 7.392 -1.815 1.958 514 2HG GLN 69 2HG GLN 69 6.743 -0.364 1.220 515 1HE2 GLN 69 2HE2 GLN 69 5.904 0.758 2.892 516 2HE2 GLN 69 1HE2 GLN 69 4.735 0.097 4.013 517 H VAL 70 H VAL 70 6.067 -3.932 -2.014 518 HA VAL 70 HA VAL 70 3.656 -5.461 -1.789 519 HB VAL 70 HB VAL 70 5.361 -5.244 -4.238 520 1HG1 VAL 70 1HG1 VAL 70 3.372 -6.664 -4.292 521 2HG1 VAL 70 2HG1 VAL 70 2.383 -5.276 -3.719 522 3HG1 VAL 70 3HG1 VAL 70 3.167 -5.213 -5.336 523 1HG2 VAL 70 1HG2 VAL 70 3.446 -3.135 -3.189 524 2HG2 VAL 70 2HG2 VAL 70 5.232 -2.963 -3.288 525 3HG2 VAL 70 3HG2 VAL 70 4.260 -3.119 -4.792 526 H LYS 71 H LYS 71 7.035 -6.141 -1.672 527 HA LYS 71 HA LYS 71 6.866 -8.873 -2.540 528 1HB LYS 71 1HB LYS 71 8.905 -7.244 -2.397 529 2HB LYS 71 2HB LYS 71 9.026 -7.862 -0.763 530 1HG LYS 71 1HG LYS 71 9.176 -10.136 -1.584 531 2HG LYS 71 2HG LYS 71 8.900 -9.596 -3.228 532 1HD LYS 71 1HD LYS 71 11.003 -8.249 -3.070 533 2HD LYS 71 2HD LYS 71 11.297 -8.974 -1.502 534 1HE LYS 71 1HE LYS 71 10.856 -11.195 -2.992 535 2HE LYS 71 2HE LYS 71 11.571 -10.144 -4.198 536 1HZ LYS 71 1HZ LYS 71 13.414 -9.789 -2.725 537 2HZ LYS 71 2HZ LYS 71 12.739 -10.782 -1.587 538 3HZ LYS 71 3HZ LYS 71 13.230 -11.405 -3.040 539 H GLN 72 H GLN 72 6.228 -7.142 0.398 540 HA GLN 72 HA GLN 72 6.052 -9.661 1.894 541 1HB GLN 72 1HB GLN 72 6.072 -6.786 2.709 542 2HB GLN 72 2HB GLN 72 5.646 -8.070 3.822 543 1HG GLN 72 1HG GLN 72 8.018 -8.867 2.541 544 2HG GLN 72 2HG GLN 72 8.236 -7.192 3.007 545 1HE2 GLN 72 2HE2 GLN 72 8.706 -10.271 3.995 546 2HE2 GLN 72 1HE2 GLN 72 8.644 -10.058 5.730 547 H VAL 73 H VAL 73 4.145 -8.556 -0.285 548 HA VAL 73 HA VAL 73 1.692 -8.067 1.088 549 HB VAL 73 HB VAL 73 2.523 -7.588 -1.338 550 1HG1 VAL 73 1HG1 VAL 73 2.757 -9.888 -2.061 551 2HG1 VAL 73 2HG1 VAL 73 1.019 -10.176 -1.702 552 3HG1 VAL 73 3HG1 VAL 73 1.489 -9.038 -3.012 553 1HG2 VAL 73 1HG2 VAL 73 -0.340 -8.242 -0.680 554 2HG2 VAL 73 2HG2 VAL 73 0.501 -6.680 -0.391 555 3HG2 VAL 73 3HG2 VAL 73 0.220 -7.252 -2.073 556 H ARG 74 H ARG 74 -0.251 -9.463 0.830 557 HA ARG 74 HA ARG 74 0.278 -12.041 1.957 558 1HB ARG 74 1HB ARG 74 -2.243 -10.791 0.917 559 2HB ARG 74 2HB ARG 74 -2.182 -12.345 1.724 560 1HG ARG 74 1HG ARG 74 -0.758 -10.497 3.329 561 2HG ARG 74 2HG ARG 74 -2.282 -9.751 2.890 562 1HD ARG 74 1HD ARG 74 -3.542 -11.490 3.868 563 2HD ARG 74 2HD ARG 74 -2.159 -12.565 3.936 564 HE ARG 74 HE ARG 74 -2.836 -10.431 5.829 565 1HH1 ARG 74 1HH2 ARG 74 -0.373 -12.655 4.703 566 2HH1 ARG 74 2HH2 ARG 74 0.575 -12.497 6.165 567 1HH2 ARG 74 1HH1 ARG 74 -1.574 -10.237 7.674 568 2HH2 ARG 74 2HH1 ARG 74 -0.092 -11.154 7.814 569 H ASP 75 H ASP 75 -1.814 -11.487 -0.809 570 HA ASP 75 HA ASP 75 -0.415 -12.703 -2.856 571 1HB ASP 75 1HB ASP 75 -1.385 -14.627 -0.903 572 2HB ASP 75 2HB ASP 75 -1.954 -14.936 -2.531 573 H GLU 76 H GLU 76 -3.374 -12.096 -1.171 574 HA GLU 76 HA GLU 76 -4.862 -12.012 -3.723 575 1HB GLU 76 1HB GLU 76 -6.899 -12.622 -2.271 576 2HB GLU 76 2HB GLU 76 -5.837 -13.907 -2.809 577 1HG GLU 76 1HG GLU 76 -5.157 -12.684 -0.211 578 2HG GLU 76 2HG GLU 76 -6.639 -13.618 -0.251 579 H CYS 77 H CYS 77 -3.595 -10.412 -1.122 580 HA CYS 77 HA CYS 77 -5.717 -8.399 -1.021 581 1HB CYS 77 1HB CYS 77 -3.155 -8.387 0.523 582 2HB CYS 77 2HB CYS 77 -4.642 -7.528 0.876 583 H GLN 78 H GLN 78 -3.266 -9.177 -3.103 584 HA GLN 78 HA GLN 78 -1.696 -6.922 -3.375 585 1HB GLN 78 1HB GLN 78 -2.742 -9.038 -5.165 586 2HB GLN 78 2HB GLN 78 -1.989 -7.642 -5.910 587 1HG GLN 78 1HG GLN 78 -0.118 -8.857 -5.638 588 2HG GLN 78 2HG GLN 78 -0.175 -8.180 -4.024 589 1HE2 GLN 78 2HE2 GLN 78 -0.494 -10.979 -5.990 590 2HE2 GLN 78 1HE2 GLN 78 -0.707 -12.125 -4.686 591 H CYS 79 H CYS 79 -4.938 -7.552 -4.796 592 HA CYS 79 HA CYS 79 -5.072 -4.962 -6.000 593 1HB CYS 79 1HB CYS 79 -6.616 -7.336 -5.935 594 2HB CYS 79 2HB CYS 79 -7.650 -5.977 -5.544 595 H GLU 80 H GLU 80 -7.150 -6.329 -3.416 596 HA GLU 80 HA GLU 80 -8.237 -4.045 -2.423 597 1HB GLU 80 1HB GLU 80 -8.757 -6.246 -1.552 598 2HB GLU 80 2HB GLU 80 -7.174 -6.342 -0.807 599 1HG GLU 80 1HG GLU 80 -8.393 -3.895 -0.014 600 2HG GLU 80 2HG GLU 80 -9.536 -5.195 0.257 601 H ALA 81 H ALA 81 -4.925 -5.100 -1.899 602 HA ALA 81 HA ALA 81 -4.109 -3.381 0.092 603 1HB ALA 81 1HB ALA 81 -2.746 -5.186 -0.767 604 2HB ALA 81 2HB ALA 81 -2.602 -4.326 -2.340 605 3HB ALA 81 3HB ALA 81 -1.869 -3.618 -0.859 606 H ILE 82 H ILE 82 -4.042 -2.802 -3.430 607 HA ILE 82 HA ILE 82 -3.406 -0.030 -3.124 608 HB ILE 82 HB ILE 82 -3.663 -1.942 -5.225 609 1HG1 ILE 82 1HG1 ILE 82 -2.484 0.715 -5.713 610 2HG1 ILE 82 2HG1 ILE 82 -1.825 -0.189 -4.365 611 1HG2 ILE 82 1HG2 ILE 82 -5.749 -0.809 -5.816 612 2HG2 ILE 82 2HG2 ILE 82 -4.887 0.769 -5.803 613 3HG2 ILE 82 3HG2 ILE 82 -4.466 -0.476 -7.030 614 1HD1 ILE 82 1HD1 ILE 82 -1.393 -2.120 -5.842 615 2HD1 ILE 82 2HD1 ILE 82 -2.070 -1.191 -7.225 616 3HD1 ILE 82 3HD1 ILE 82 -0.555 -0.642 -6.428 617 H LYS 83 H LYS 83 -6.386 -1.908 -3.426 618 HA LYS 83 HA LYS 83 -8.080 0.346 -3.825 619 1HB LYS 83 1HB LYS 83 -8.340 -2.454 -3.703 620 2HB LYS 83 2HB LYS 83 -9.438 -1.797 -2.505 621 1HG LYS 83 1HG LYS 83 -10.655 -1.891 -4.561 622 2HG LYS 83 2HG LYS 83 -10.261 -0.206 -4.292 623 1HD LYS 83 1HD LYS 83 -8.356 -0.397 -5.831 624 2HD LYS 83 2HD LYS 83 -8.728 -2.090 -6.089 625 1HE LYS 83 1HE LYS 83 -10.975 -0.253 -6.551 626 2HE LYS 83 2HE LYS 83 -9.636 -0.069 -7.667 627 1HZ LYS 83 1HZ LYS 83 -9.772 -2.405 -8.137 628 2HZ LYS 83 2HZ LYS 83 -11.037 -2.579 -7.083 629 3HZ LYS 83 3HZ LYS 83 -11.220 -1.667 -8.453 630 H TYR 84 H TYR 84 -6.183 -0.465 -1.228 631 HA TYR 84 HA TYR 84 -7.984 0.688 0.795 632 1HB TYR 84 1HB TYR 84 -7.039 -1.403 1.407 633 2HB TYR 84 2HB TYR 84 -5.451 -0.918 0.848 634 HD1 TYR 84 1HD TYR 84 -4.070 0.681 2.176 635 HD2 TYR 84 2HD TYR 84 -7.842 -0.861 3.570 636 HE1 TYR 84 1HE TYR 84 -3.572 1.548 4.452 637 HE2 TYR 84 2HE TYR 84 -7.289 -0.131 5.884 638 HH TYR 84 HH TYR 84 -5.836 0.907 7.180 639 H ILE 85 H ILE 85 -4.532 0.779 -0.145 640 HA ILE 85 HA ILE 85 -4.096 3.235 1.237 641 HB ILE 85 HB ILE 85 -2.418 1.437 0.686 642 1HG1 ILE 85 1HG1 ILE 85 -1.474 3.225 1.738 643 2HG1 ILE 85 2HG1 ILE 85 -0.581 3.203 0.231 644 1HG2 ILE 85 1HG2 ILE 85 -2.835 1.146 -1.681 645 2HG2 ILE 85 2HG2 ILE 85 -2.335 2.845 -1.986 646 3HG2 ILE 85 3HG2 ILE 85 -1.131 1.646 -1.396 647 1HD1 ILE 85 1HD1 ILE 85 -2.054 4.939 -0.695 648 2HD1 ILE 85 2HD1 ILE 85 -2.970 4.962 0.851 649 3HD1 ILE 85 3HD1 ILE 85 -1.251 5.489 0.818 650 H ALA 86 H ALA 86 -4.369 2.400 -2.233 651 HA ALA 86 HA ALA 86 -4.405 5.147 -3.047 652 1HB ALA 86 1HB ALA 86 -3.445 3.379 -4.458 653 2HB ALA 86 2HB ALA 86 -5.054 2.578 -4.531 654 3HB ALA 86 3HB ALA 86 -4.817 4.191 -5.289 655 H GLU 87 H GLU 87 -6.222 5.029 -1.096 656 HA GLU 87 HA GLU 87 -8.571 5.964 -2.378 657 1HB GLU 87 1HB GLU 87 -8.675 3.356 -2.381 658 2HB GLU 87 2HB GLU 87 -9.110 3.577 -0.699 659 1HG GLU 87 1HG GLU 87 -10.599 5.454 -2.210 660 2HG GLU 87 2HG GLU 87 -10.751 3.902 -3.009 661 H ASP 88 H ASP 88 -7.443 4.453 0.665 662 HA ASP 88 HA ASP 88 -9.063 5.916 2.439 663 1HB ASP 88 1HB ASP 88 -7.787 4.041 3.230 664 2HB ASP 88 2HB ASP 88 -6.285 4.791 2.729 665 H GLN 89 H GLN 89 -5.740 6.538 1.260 666 HA GLN 89 HA GLN 89 -5.562 9.102 2.517 667 1HB GLN 89 1HB GLN 89 -3.556 9.377 1.130 668 2HB GLN 89 2HB GLN 89 -3.564 7.835 1.962 669 1HG GLN 89 1HG GLN 89 -3.192 6.889 -0.022 670 2HG GLN 89 2HG GLN 89 -4.847 7.300 -0.424 671 1HE2 GLN 89 2HE2 GLN 89 -1.501 8.258 -0.666 672 2HE2 GLN 89 1HE2 GLN 89 -1.707 9.370 -2.000 673 H ILE 90 H ILE 90 -6.926 7.966 -0.502 674 HA ILE 90 HA ILE 90 -6.889 10.432 -1.877 675 HB ILE 90 HB ILE 90 -8.806 8.154 -2.145 676 1HG1 ILE 90 1HG1 ILE 90 -6.091 8.591 -3.337 677 2HG1 ILE 90 2HG1 ILE 90 -6.627 7.248 -2.349 678 1HG2 ILE 90 1HG2 ILE 90 -9.594 10.169 -3.266 679 2HG2 ILE 90 2HG2 ILE 90 -8.008 10.324 -4.099 680 3HG2 ILE 90 3HG2 ILE 90 -9.082 8.930 -4.464 681 1HD1 ILE 90 1HD1 ILE 90 -8.189 6.538 -4.120 682 2HD1 ILE 90 2HD1 ILE 90 -7.638 7.916 -5.135 683 3HD1 ILE 90 3HD1 ILE 90 -6.494 6.593 -4.719 684 H GLN 91 H GLN 91 -9.364 8.872 0.171 685 HA GLN 91 HA GLN 91 -11.131 11.135 0.033 686 1HB GLN 91 1HB GLN 91 -11.009 8.638 1.674 687 2HB GLN 91 2HB GLN 91 -12.166 9.900 2.050 688 1HG GLN 91 1HG GLN 91 -12.204 9.415 -0.767 689 2HG GLN 91 2HG GLN 91 -12.376 7.887 0.072 690 1HE2 GLN 91 2HE2 GLN 91 -14.523 7.503 -0.359 691 2HE2 GLN 91 1HE2 GLN 91 -15.818 8.532 0.211 692 H GLN 92 H GLN 92 -8.527 10.102 2.176 693 HA GLN 92 HA GLN 92 -9.150 12.019 4.224 694 1HB GLN 92 1HB GLN 92 -7.632 9.787 4.159 695 2HB GLN 92 2HB GLN 92 -6.393 11.017 4.008 696 1HG GLN 92 1HG GLN 92 -8.518 10.981 6.140 697 2HG GLN 92 2HG GLN 92 -6.877 10.409 6.364 698 1HE2 GLN 92 2HE2 GLN 92 -8.047 12.440 7.928 699 2HE2 GLN 92 1HE2 GLN 92 -7.155 13.915 7.628 700 H GLY 93 H GLY 93 -6.577 11.815 1.774 701 1HA GLY 93 1HA GLY 93 -5.613 14.458 2.169 702 2HA GLY 93 2HA GLY 93 -5.240 13.380 0.838 703 H GLN 94 H GLN 94 -5.358 15.803 0.026 704 HA GLN 94 HA GLN 94 -8.051 16.548 -0.770 705 1HB GLN 94 1HB GLN 94 -5.565 17.883 -0.472 706 2HB GLN 94 2HB GLN 94 -6.153 18.134 -2.103 707 1HG GLN 94 1HG GLN 94 -8.048 19.240 -1.398 708 2HG GLN 94 2HG GLN 94 -8.079 18.416 0.148 709 1HE2 GLN 94 2HE2 GLN 94 -7.266 19.393 1.900 710 2HE2 GLN 94 1HE2 GLN 94 -6.328 20.870 1.879 711 H LEU 95 H LEU 95 -7.440 14.019 -1.718 712 HA LEU 95 HA LEU 95 -6.712 14.394 -4.531 713 1HB LEU 95 1HB LEU 95 -7.294 11.810 -3.179 714 2HB LEU 95 2HB LEU 95 -6.414 12.087 -4.670 715 HG LEU 95 HG LEU 95 -4.828 11.478 -3.075 716 1HD1 LEU 95 1HD1 LEU 95 -4.095 13.363 -4.453 717 2HD1 LEU 95 2HD1 LEU 95 -4.777 14.504 -3.242 718 3HD1 LEU 95 3HD1 LEU 95 -3.386 13.452 -2.802 719 1HD2 LEU 95 1HD2 LEU 95 -6.023 13.548 -1.236 720 2HD2 LEU 95 2HD2 LEU 95 -6.163 11.763 -1.071 721 3HD2 LEU 95 3HD2 LEU 95 -4.559 12.558 -0.899 722 H HIS 96 H HIS 96 -9.064 15.611 -3.656 723 HA HIS 96 HA HIS 96 -10.995 14.228 -5.362 724 1HB HIS 96 1HB HIS 96 -12.726 14.941 -3.554 725 2HB HIS 96 2HB HIS 96 -11.888 13.406 -3.461 726 HD1 HIS 96 1HD HIS 96 -12.271 13.297 -0.852 727 HD2 HIS 96 2HD HIS 96 -10.006 16.560 -2.275 728 HE1 HIS 96 1HE HIS 96 -11.154 14.355 1.201 729 HE2 HIS 96 2HE HIS 96 -9.833 16.374 0.327 730 H GLY 97 H GLY 97 -12.723 15.584 -6.082 731 1HA GLY 97 1HA GLY 97 -13.661 17.802 -6.297 732 2HA GLY 97 2HA GLY 97 -12.088 18.477 -5.922 733 H GLU 98 H GLU 98 -10.716 16.500 -7.666 734 HA GLU 98 HA GLU 98 -11.560 16.434 -10.290 735 1HB GLU 98 1HB GLU 98 -11.749 18.774 -10.503 736 2HB GLU 98 2HB GLU 98 -10.269 19.057 -9.610 737 1HG GLU 98 1HG GLU 98 -8.982 18.066 -11.453 738 2HG GLU 98 2HG GLU 98 -10.468 17.822 -12.349 739 H GLU 99 H GLU 99 -8.939 16.984 -8.027 740 HA GLU 99 HA GLU 99 -6.982 15.785 -9.836 741 1HB GLU 99 1HB GLU 99 -5.348 16.349 -8.194 742 2HB GLU 99 2HB GLU 99 -6.409 17.727 -8.409 743 1HG GLU 99 1HG GLU 99 -7.685 16.963 -6.401 744 2HG GLU 99 2HG GLU 99 -6.462 15.735 -6.153 745 H SER 100 H SER 100 -9.334 14.271 -8.832 746 HA SER 100 HA SER 100 -8.179 12.293 -7.030 747 1HB SER 100 1HB SER 100 -10.404 11.173 -7.424 748 2HB SER 100 2HB SER 100 -10.451 12.741 -6.644 749 HG SER 100 HG SER 100 -12.020 12.533 -8.285 750 H GLU 101 H GLU 101 -9.026 12.637 -10.444 751 HA GLU 101 HA GLU 101 -8.525 9.865 -11.073 752 1HB GLU 101 1HB GLU 101 -9.903 11.741 -12.353 753 2HB GLU 101 2HB GLU 101 -8.363 11.976 -13.156 754 1HG GLU 101 1HG GLU 101 -8.594 10.076 -14.344 755 2HG GLU 101 2HG GLU 101 -9.034 9.159 -12.917 756 H ARG 102 H ARG 102 -6.634 12.807 -10.842 757 HA ARG 102 HA ARG 102 -4.371 11.880 -12.326 758 1HB ARG 102 1HB ARG 102 -3.222 13.761 -11.409 759 2HB ARG 102 2HB ARG 102 -4.862 14.262 -11.773 760 1HG ARG 102 1HG ARG 102 -5.074 14.951 -9.676 761 2HG ARG 102 2HG ARG 102 -4.907 13.290 -9.147 762 1HD ARG 102 1HD ARG 102 -2.551 13.538 -8.879 763 2HD ARG 102 2HD ARG 102 -2.581 15.120 -9.630 764 HE ARG 102 HE ARG 102 -4.219 14.907 -7.236 765 1HH1 ARG 102 1HH2 ARG 102 -1.004 15.585 -8.449 766 2HH1 ARG 102 2HH2 ARG 102 -0.564 16.521 -7.038 767 1HH2 ARG 102 1HH1 ARG 102 -3.603 16.124 -5.458 768 2HH2 ARG 102 2HH1 ARG 102 -1.998 16.816 -5.390 769 H VAL 103 H VAL 103 -5.536 11.355 -9.085 770 HA VAL 103 HA VAL 103 -3.001 10.375 -8.081 771 HB VAL 103 HB VAL 103 -5.763 10.696 -7.049 772 1HG1 VAL 103 1HG1 VAL 103 -5.174 8.432 -6.330 773 2HG1 VAL 103 2HG1 VAL 103 -3.624 9.060 -5.670 774 3HG1 VAL 103 3HG1 VAL 103 -5.184 9.579 -4.945 775 1HG2 VAL 103 1HG2 VAL 103 -3.022 11.507 -6.041 776 2HG2 VAL 103 2HG2 VAL 103 -4.192 12.563 -6.907 777 3HG2 VAL 103 3HG2 VAL 103 -4.586 11.937 -5.268 778 H ALA 104 H ALA 104 -5.779 9.137 -9.762 779 HA ALA 104 HA ALA 104 -5.446 6.395 -9.027 780 1HB ALA 104 1HB ALA 104 -7.558 7.303 -9.902 781 2HB ALA 104 2HB ALA 104 -6.740 7.684 -11.456 782 3HB ALA 104 3HB ALA 104 -6.950 5.973 -10.947 783 H GLN 105 H GLN 105 -4.449 8.341 -11.862 784 HA GLN 105 HA GLN 105 -2.972 6.179 -13.038 785 1HB GLN 105 1HB GLN 105 -2.109 7.905 -14.551 786 2HB GLN 105 2HB GLN 105 -3.854 7.977 -14.402 787 1HG GLN 105 1HG GLN 105 -3.765 9.909 -13.050 788 2HG GLN 105 2HG GLN 105 -2.055 9.705 -12.730 789 1HE2 GLN 105 2HE2 GLN 105 -0.553 9.938 -14.543 790 2HE2 GLN 105 1HE2 GLN 105 -0.947 11.089 -15.801 791 H ARG 106 H ARG 106 -2.264 8.690 -10.695 792 HA ARG 106 HA ARG 106 0.513 8.819 -10.864 793 1HB ARG 106 1HB ARG 106 -1.379 9.896 -9.243 794 2HB ARG 106 2HB ARG 106 -0.562 8.793 -8.154 795 1HG ARG 106 1HG ARG 106 0.536 10.910 -8.003 796 2HG ARG 106 2HG ARG 106 1.602 9.817 -8.863 797 1HD ARG 106 1HD ARG 106 -0.272 11.401 -10.508 798 2HD ARG 106 2HD ARG 106 1.033 12.283 -9.741 799 HE ARG 106 HE ARG 106 2.142 9.993 -10.954 800 1HH1 ARG 106 1HH2 ARG 106 0.606 12.978 -11.909 801 2HH1 ARG 106 2HH2 ARG 106 1.414 13.021 -13.461 802 1HH2 ARG 106 1HH1 ARG 106 3.151 10.056 -12.949 803 2HH2 ARG 106 2HH1 ARG 106 2.835 11.387 -14.039 804 H ALA 107 H ALA 107 -1.490 6.710 -8.758 805 HA ALA 107 HA ALA 107 0.628 5.292 -7.613 806 1HB ALA 107 1HB ALA 107 -1.708 5.184 -6.865 807 2HB ALA 107 2HB ALA 107 -2.134 4.322 -8.385 808 3HB ALA 107 3HB ALA 107 -1.043 3.544 -7.186 809 H GLY 108 H GLY 108 -1.016 4.896 -10.729 810 1HA GLY 108 1HA GLY 108 -0.085 2.517 -11.672 811 2HA GLY 108 2HA GLY 108 -0.250 3.958 -12.655 812 H GLU 109 H GLU 109 1.788 5.540 -11.457 813 HA GLU 109 HA GLU 109 4.067 4.785 -12.814 814 1HB GLU 109 1HB GLU 109 3.529 6.614 -10.557 815 2HB GLU 109 2HB GLU 109 5.198 6.226 -10.923 816 1HG GLU 109 1HG GLU 109 4.513 6.785 -13.371 817 2HG GLU 109 2HG GLU 109 3.179 7.633 -12.615 818 H ILE 110 H ILE 110 3.600 4.479 -9.286 819 HA ILE 110 HA ILE 110 5.944 2.873 -8.968 820 HB ILE 110 HB ILE 110 3.591 3.165 -7.127 821 1HG1 ILE 110 1HG1 ILE 110 4.213 5.361 -7.250 822 2HG1 ILE 110 2HG1 ILE 110 5.345 4.817 -6.029 823 1HG2 ILE 110 1HG2 ILE 110 5.032 1.294 -6.553 824 2HG2 ILE 110 2HG2 ILE 110 6.463 2.383 -6.607 825 3HG2 ILE 110 3HG2 ILE 110 5.198 2.622 -5.352 826 1HD1 ILE 110 1HD1 ILE 110 7.089 4.499 -7.753 827 2HD1 ILE 110 2HD1 ILE 110 5.926 5.057 -9.007 828 3HD1 ILE 110 3HD1 ILE 110 6.487 6.193 -7.730 829 H VAL 111 H VAL 111 2.578 2.237 -9.620 830 HA VAL 111 HA VAL 111 2.492 -0.493 -9.068 831 HB VAL 111 HB VAL 111 1.082 1.131 -11.114 832 1HG1 VAL 111 1HG1 VAL 111 1.025 -1.174 -11.840 833 2HG1 VAL 111 2HG1 VAL 111 0.452 -1.675 -10.211 834 3HG1 VAL 111 3HG1 VAL 111 -0.590 -0.645 -11.253 835 1HG2 VAL 111 1HG2 VAL 111 0.261 0.183 -8.369 836 2HG2 VAL 111 2HG2 VAL 111 0.674 1.866 -8.850 837 3HG2 VAL 111 3HG2 VAL 111 -0.790 1.072 -9.525 838 H SER 112 H SER 112 3.096 1.069 -12.226 839 HA SER 112 HA SER 112 3.852 -1.233 -13.604 840 1HB SER 112 1HB SER 112 4.915 1.560 -13.986 841 2HB SER 112 2HB SER 112 4.957 0.269 -15.169 842 HG SER 112 HG SER 112 3.212 1.722 -15.523 843 H SER 113 H SER 113 5.548 0.552 -11.149 844 HA SER 113 HA SER 113 8.158 -0.448 -11.821 845 1HB SER 113 1HB SER 113 7.396 1.629 -10.427 846 2HB SER 113 2HB SER 113 7.452 0.477 -9.109 847 HG SER 113 HG SER 113 9.467 1.522 -9.445 848 H CYS 114 H CYS 114 6.276 -0.973 -8.819 849 HA CYS 114 HA CYS 114 6.526 -3.847 -9.080 850 1HB CYS 114 1HB CYS 114 8.699 -2.874 -8.114 851 2HB CYS 114 2HB CYS 114 7.748 -2.622 -6.665 852 H GLY 115 H GLY 115 4.329 -2.076 -9.082 853 1HA GLY 115 1HA GLY 115 2.981 -2.881 -6.576 854 2HA GLY 115 2HA GLY 115 2.855 -1.234 -7.162 855 H VAL 116 H VAL 116 3.052 -3.988 -9.336 856 HA VAL 116 HA VAL 116 0.605 -3.266 -10.620 857 HB VAL 116 HB VAL 116 2.672 -5.337 -11.017 858 1HG1 VAL 116 1HG1 VAL 116 0.577 -6.570 -11.289 859 2HG1 VAL 116 2HG1 VAL 116 -0.012 -5.295 -12.412 860 3HG1 VAL 116 3HG1 VAL 116 1.397 -6.313 -12.870 861 1HG2 VAL 116 1HG2 VAL 116 1.394 -3.263 -12.821 862 2HG2 VAL 116 2HG2 VAL 116 2.979 -3.104 -11.987 863 3HG2 VAL 116 3HG2 VAL 116 2.758 -4.346 -13.268 864 H ARG 117 H ARG 117 -1.245 -3.490 -9.491 865 HA ARG 117 HA ARG 117 -1.939 -6.233 -8.692 866 1HB ARG 117 1HB ARG 117 -1.938 -3.853 -6.894 867 2HB ARG 117 2HB ARG 117 -2.915 -5.273 -6.581 868 1HG ARG 117 1HG ARG 117 -1.084 -5.836 -5.384 869 2HG ARG 117 2HG ARG 117 -0.604 -6.486 -6.939 870 1HD ARG 117 1HD ARG 117 0.207 -3.823 -6.938 871 2HD ARG 117 2HD ARG 117 0.632 -4.457 -5.360 872 HE ARG 117 HE ARG 117 2.128 -4.832 -7.619 873 1HH1 ARG 117 1HH2 ARG 117 0.739 -6.817 -5.151 874 2HH1 ARG 117 2HH2 ARG 117 1.845 -8.143 -5.434 875 1HH2 ARG 117 1HH1 ARG 117 3.469 -6.583 -8.061 876 2HH2 ARG 117 2HH1 ARG 117 3.366 -8.012 -7.057 877 H CYS 118 H CYS 118 -3.673 -3.400 -7.589 878 HA CYS 118 HA CYS 118 -5.859 -4.093 -9.425 879 1HB CYS 118 1HB CYS 118 -5.710 -3.232 -6.724 880 2HB CYS 118 2HB CYS 118 -6.589 -2.026 -7.642 881 H MET 119 H MET 119 -3.192 -2.164 -9.403 882 HA MET 119 HA MET 119 -4.496 0.088 -10.763 883 1HB MET 119 1HB MET 119 -2.300 -0.220 -9.068 884 2HB MET 119 2HB MET 119 -1.684 0.297 -10.624 885 1HG MET 119 1HG MET 119 -2.271 2.373 -10.113 886 2HG MET 119 2HG MET 119 -3.947 1.865 -10.114 887 1HE MET 119 1HE MET 119 -4.802 3.505 -8.354 888 2HE MET 119 2HE MET 119 -5.436 1.834 -8.155 889 3HE MET 119 3HE MET 119 -4.944 2.787 -6.712 890 H ARG 120 H ARG 120 -3.428 -2.886 -11.607 891 HA ARG 120 HA ARG 120 -3.128 -2.096 -14.391 892 1HB ARG 120 1HB ARG 120 -0.842 -1.934 -13.808 893 2HB ARG 120 2HB ARG 120 -0.921 -3.360 -12.793 894 1HG ARG 120 1HG ARG 120 -0.640 -4.770 -14.546 895 2HG ARG 120 2HG ARG 120 -1.699 -3.837 -15.585 896 1HD ARG 120 1HD ARG 120 0.491 -2.199 -15.309 897 2HD ARG 120 2HD ARG 120 1.203 -3.799 -15.375 898 HE ARG 120 HE ARG 120 -0.518 -3.906 -17.454 899 1HH1 ARG 120 1HH2 ARG 120 1.853 -1.499 -16.549 900 2HH1 ARG 120 2HH2 ARG 120 2.127 -0.999 -18.203 901 1HH2 ARG 120 1HH1 ARG 120 -0.150 -3.241 -19.559 902 2HH2 ARG 120 2HH1 ARG 120 1.009 -1.971 -19.883 903 H GLN 121 H GLN 121 -2.143 -4.988 -12.604 904 HA GLN 121 HA GLN 121 -3.758 -6.625 -14.354 905 1HB GLN 121 1HB GLN 121 -2.696 -8.484 -13.353 906 2HB GLN 121 2HB GLN 121 -1.473 -7.246 -13.555 907 1HG GLN 121 1HG GLN 121 -1.971 -6.571 -11.153 908 2HG GLN 121 2HG GLN 121 -2.872 -8.069 -11.027 909 1HE2 GLN 121 2HE2 GLN 121 -1.141 -8.184 -9.247 910 2HE2 GLN 121 1HE2 GLN 121 0.346 -8.984 -9.703 911 H THR 122 H THR 122 -4.423 -8.661 -12.507 912 HA THR 122 HA THR 122 -6.838 -7.467 -11.359 913 HB THR 122 HB THR 122 -6.277 -10.406 -11.570 914 HG1 THR 122 1HG THR 122 -7.122 -10.175 -13.696 915 1HG2 THR 122 1HG2 THR 122 -8.403 -9.611 -10.475 916 2HG2 THR 122 2HG2 THR 122 -8.782 -8.711 -11.984 917 3HG2 THR 122 3HG2 THR 122 -8.703 -10.507 -12.005 918 H ARG 123 H ARG 123 -7.227 -9.672 -9.502 919 HA ARG 123 HA ARG 123 -5.936 -8.567 -7.214 920 1HB ARG 123 1HB ARG 123 -6.950 -10.399 -5.994 921 2HB ARG 123 2HB ARG 123 -8.103 -9.691 -7.108 922 1HG ARG 123 1HG ARG 123 -6.842 -11.700 -8.583 923 2HG ARG 123 2HG ARG 123 -7.090 -12.406 -6.999 924 1HD ARG 123 1HD ARG 123 -9.335 -12.476 -7.243 925 2HD ARG 123 2HD ARG 123 -9.393 -10.926 -8.056 926 HE ARG 123 HE ARG 123 -8.214 -12.941 -9.735 927 1HH1 ARG 123 1HH2 ARG 123 -11.279 -11.672 -8.616 928 2HH1 ARG 123 2HH2 ARG 123 -12.150 -12.270 -10.010 929 1HH2 ARG 123 1HH1 ARG 123 -9.358 -13.710 -11.494 930 2HH2 ARG 123 2HH1 ARG 123 -11.077 -13.407 -11.617 931 H THR 124 H THR 124 -5.093 -11.132 -9.406 932 HA THR 124 HA THR 124 -2.580 -11.522 -7.945 933 HB THR 124 HB THR 124 -4.082 -13.302 -7.169 934 HG1 THR 124 1HG THR 124 -2.602 -14.938 -7.802 935 1HG2 THR 124 1HG2 THR 124 -5.498 -13.564 -9.224 936 2HG2 THR 124 2HG2 THR 124 -4.054 -14.212 -10.077 937 3HG2 THR 124 3HG2 THR 124 -4.756 -15.111 -8.686 938 H ASN 125 H ASN 125 -0.944 -11.226 -9.249 939 HA ASN 125 HA ASN 125 -1.009 -10.697 -11.911 940 1HB ASN 125 1HB ASN 125 1.047 -10.466 -10.738 941 2HB ASN 125 2HB ASN 125 1.107 -12.179 -10.372 942 1HD2 ASN 125 2HD2 ASN 125 1.910 -13.618 -11.863 943 2HD2 ASN 125 1HD2 ASN 125 2.595 -13.128 -13.397 Start of MODEL 13 1 1H ALA 1 1H ALA 1 -18.383 2.373 -11.246 2 2H ALA 1 2H ALA 1 -18.432 3.648 -12.303 3 3H ALA 1 3H ALA 1 -19.823 3.121 -11.577 4 HA ALA 1 HA ALA 1 -19.657 1.034 -12.701 5 1HB ALA 1 1HB ALA 1 -21.013 2.822 -13.716 6 2HB ALA 1 2HB ALA 1 -19.545 3.451 -14.542 7 3HB ALA 1 3HB ALA 1 -20.197 1.833 -14.976 8 H GLU 2 H GLU 2 -18.482 -0.388 -13.918 9 HA GLU 2 HA GLU 2 -16.086 0.448 -15.313 10 1HB GLU 2 1HB GLU 2 -15.142 0.393 -13.096 11 2HB GLU 2 2HB GLU 2 -15.846 -1.182 -12.792 12 1HG GLU 2 1HG GLU 2 -13.456 -1.351 -13.305 13 2HG GLU 2 2HG GLU 2 -14.430 -2.171 -14.508 14 H PHE 3 H PHE 3 -17.782 -2.313 -13.827 15 HA PHE 3 HA PHE 3 -18.030 -3.614 -16.420 16 1HB PHE 3 1HB PHE 3 -15.851 -4.221 -14.607 17 2HB PHE 3 2HB PHE 3 -16.847 -5.629 -14.918 18 HD1 PHE 3 1HD PHE 3 -17.393 -6.152 -17.435 19 HD2 PHE 3 2HD PHE 3 -14.164 -3.614 -16.120 20 HE1 PHE 3 1HE PHE 3 -16.246 -6.484 -19.596 21 HE2 PHE 3 2HE PHE 3 -13.022 -3.944 -18.278 22 HZ PHE 3 HZ PHE 3 -14.049 -5.387 -20.029 23 H MET 4 H MET 4 -18.890 -5.954 -15.944 24 HA MET 4 HA MET 4 -21.373 -6.009 -14.881 25 1HB MET 4 1HB MET 4 -19.277 -8.045 -15.236 26 2HB MET 4 2HB MET 4 -20.556 -8.474 -14.119 27 1HG MET 4 1HG MET 4 -22.164 -7.716 -15.952 28 2HG MET 4 2HG MET 4 -20.777 -7.775 -17.021 29 1HE MET 4 1HE MET 4 -22.188 -9.494 -18.508 30 2HE MET 4 2HE MET 4 -20.402 -9.703 -18.450 31 3HE MET 4 3HE MET 4 -21.478 -11.141 -18.370 32 H GLU 5 H GLU 5 -21.971 -5.077 -13.032 33 HA GLU 5 HA GLU 5 -21.611 -6.237 -10.529 34 1HB GLU 5 1HB GLU 5 -19.386 -4.486 -11.246 35 2HB GLU 5 2HB GLU 5 -20.190 -4.002 -9.766 36 1HG GLU 5 1HG GLU 5 -20.019 -6.692 -9.395 37 2HG GLU 5 2HG GLU 5 -18.562 -6.395 -10.323 38 H SER 6 H SER 6 -22.521 -4.969 -8.801 39 HA SER 6 HA SER 6 -23.579 -2.411 -8.957 40 1HB SER 6 1HB SER 6 -24.965 -4.008 -10.788 41 2HB SER 6 2HB SER 6 -26.016 -3.902 -9.390 42 HG SER 6 HG SER 6 -26.302 -2.131 -10.838 43 H LYS 7 H LYS 7 -23.572 -2.110 -6.838 44 HA LYS 7 HA LYS 7 -25.268 -3.834 -5.173 45 1HB LYS 7 1HB LYS 7 -23.542 -4.114 -3.486 46 2HB LYS 7 2HB LYS 7 -23.053 -4.824 -5.011 47 1HG LYS 7 1HG LYS 7 -21.123 -3.699 -4.700 48 2HG LYS 7 2HG LYS 7 -22.028 -2.289 -5.211 49 1HD LYS 7 1HD LYS 7 -22.693 -2.068 -2.725 50 2HD LYS 7 2HD LYS 7 -21.368 -3.173 -2.418 51 1HE LYS 7 1HE LYS 7 -20.256 -1.165 -2.242 52 2HE LYS 7 2HE LYS 7 -20.046 -1.477 -3.954 53 1HZ LYS 7 1HZ LYS 7 -21.954 -0.101 -4.389 54 2HZ LYS 7 2HZ LYS 7 -22.152 0.193 -2.771 55 3HZ LYS 7 3HZ LYS 7 -20.807 0.754 -3.557 56 H GLY 8 H GLY 8 -26.639 -2.575 -4.167 57 1HA GLY 8 1HA GLY 8 -26.519 0.244 -4.154 58 2HA GLY 8 2HA GLY 8 -27.558 -0.739 -3.140 59 H GLU 9 H GLU 9 -26.961 -1.240 -1.040 60 HA GLU 9 HA GLU 9 -25.217 0.615 0.248 61 1HB GLU 9 1HB GLU 9 -27.062 -1.457 1.043 62 2HB GLU 9 2HB GLU 9 -25.625 -1.443 2.045 63 1HG GLU 9 1HG GLU 9 -26.114 0.591 2.944 64 2HG GLU 9 2HG GLU 9 -26.770 1.208 1.441 65 H ARG 10 H ARG 10 -23.138 0.575 0.744 66 HA ARG 10 HA ARG 10 -21.403 -1.353 -0.391 67 1HB ARG 10 1HB ARG 10 -21.147 1.056 1.021 68 2HB ARG 10 2HB ARG 10 -20.211 -0.134 1.903 69 1HG ARG 10 1HG ARG 10 -19.231 -0.784 -0.375 70 2HG ARG 10 2HG ARG 10 -19.912 0.721 -0.958 71 1HD ARG 10 1HD ARG 10 -18.242 0.792 1.505 72 2HD ARG 10 2HD ARG 10 -17.433 0.606 -0.038 73 HE ARG 10 HE ARG 10 -17.989 2.785 -0.611 74 1HH1 ARG 10 1HH2 ARG 10 -19.702 1.913 2.333 75 2HH1 ARG 10 2HH2 ARG 10 -20.243 3.552 2.614 76 1HH2 ARG 10 1HH1 ARG 10 -18.733 4.864 -0.202 77 2HH2 ARG 10 2HH1 ARG 10 -19.708 5.178 1.215 78 H GLU 11 H GLU 11 -19.911 -2.780 0.727 79 HA GLU 11 HA GLU 11 -20.837 -3.793 3.325 80 1HB GLU 11 1HB GLU 11 -21.545 -5.051 0.932 81 2HB GLU 11 2HB GLU 11 -20.252 -6.020 1.607 82 1HG GLU 11 1HG GLU 11 -21.491 -5.970 3.800 83 2HG GLU 11 2HG GLU 11 -22.832 -5.230 2.947 84 H GLY 12 H GLY 12 -19.281 -5.715 3.954 85 1HA GLY 12 1HA GLY 12 -16.692 -4.734 4.330 86 2HA GLY 12 2HA GLY 12 -17.166 -6.415 4.474 87 H SER 13 H SER 13 -15.713 -3.980 2.450 88 HA SER 13 HA SER 13 -15.354 -5.835 0.199 89 1HB SER 13 1HB SER 13 -15.954 -3.386 -0.091 90 2HB SER 13 2HB SER 13 -14.310 -3.028 0.397 91 HG SER 13 HG SER 13 -14.531 -3.192 -1.882 92 H SER 14 H SER 14 -14.151 -7.012 2.199 93 HA SER 14 HA SER 14 -11.370 -6.962 1.454 94 1HB SER 14 1HB SER 14 -10.617 -6.556 3.842 95 2HB SER 14 2HB SER 14 -11.069 -5.160 2.885 96 HG SER 14 HG SER 14 -11.867 -5.059 5.012 97 H SER 15 H SER 15 -10.293 -8.808 2.144 98 HA SER 15 HA SER 15 -11.851 -11.107 2.651 99 1HB SER 15 1HB SER 15 -9.397 -10.822 1.772 100 2HB SER 15 2HB SER 15 -8.981 -10.983 3.467 101 HG SER 15 HG SER 15 -9.030 -13.005 2.381 102 H GLN 16 H GLN 16 -10.568 -12.519 4.701 103 HA GLN 16 HA GLN 16 -12.068 -12.095 6.918 104 1HB GLN 16 1HB GLN 16 -10.259 -13.866 6.414 105 2HB GLN 16 2HB GLN 16 -9.185 -12.782 7.276 106 1HG GLN 16 1HG GLN 16 -10.191 -13.165 9.286 107 2HG GLN 16 2HG GLN 16 -11.782 -13.334 8.572 108 1HE2 GLN 16 2HE2 GLN 16 -9.848 -14.985 10.432 109 2HE2 GLN 16 1HE2 GLN 16 -10.033 -16.607 9.802 110 H GLN 17 H GLN 17 -8.906 -10.558 6.379 111 HA GLN 17 HA GLN 17 -9.685 -8.069 7.462 112 1HB GLN 17 1HB GLN 17 -9.106 -9.984 9.431 113 2HB GLN 17 2HB GLN 17 -7.725 -8.906 9.387 114 1HG GLN 17 1HG GLN 17 -9.248 -6.975 9.559 115 2HG GLN 17 2HG GLN 17 -10.611 -8.071 9.646 116 1HE2 GLN 17 2HE2 GLN 17 -10.396 -6.332 11.655 117 2HE2 GLN 17 1HE2 GLN 17 -9.815 -7.111 13.109 118 H CYS 18 H CYS 18 -8.507 -8.871 5.111 119 HA CYS 18 HA CYS 18 -5.653 -8.623 5.240 120 1HB CYS 18 1HB CYS 18 -7.641 -8.871 3.143 121 2HB CYS 18 2HB CYS 18 -6.299 -7.830 2.715 122 H ARG 19 H ARG 19 -8.283 -6.371 4.282 123 HA ARG 19 HA ARG 19 -6.892 -4.128 3.634 124 1HB ARG 19 1HB ARG 19 -9.472 -4.620 4.029 125 2HB ARG 19 2HB ARG 19 -9.156 -3.670 5.467 126 1HG ARG 19 1HG ARG 19 -8.218 -1.884 4.047 127 2HG ARG 19 2HG ARG 19 -8.622 -2.827 2.627 128 1HD ARG 19 1HD ARG 19 -11.029 -2.833 3.660 129 2HD ARG 19 2HD ARG 19 -10.448 -1.444 4.556 130 HE ARG 19 HE ARG 19 -10.660 -0.158 2.660 131 1HH1 ARG 19 1HH2 ARG 19 -10.637 -3.521 1.779 132 2HH1 ARG 19 2HH2 ARG 19 -10.930 -3.204 0.084 133 1HH2 ARG 19 1HH1 ARG 19 -11.006 0.207 0.425 134 2HH2 ARG 19 2HH1 ARG 19 -11.133 -1.161 -0.658 135 H GLN 20 H GLN 20 -7.381 -5.391 6.802 136 HA GLN 20 HA GLN 20 -6.308 -3.240 8.297 137 1HB GLN 20 1HB GLN 20 -7.688 -5.162 9.157 138 2HB GLN 20 2HB GLN 20 -6.241 -6.144 9.043 139 1HG GLN 20 1HG GLN 20 -5.169 -4.118 10.357 140 2HG GLN 20 2HG GLN 20 -6.828 -3.850 10.853 141 1HE2 GLN 20 2HE2 GLN 20 -4.296 -6.356 10.689 142 2HE2 GLN 20 1HE2 GLN 20 -4.838 -7.226 12.107 143 H GLU 21 H GLU 21 -4.671 -6.451 8.111 144 HA GLU 21 HA GLU 21 -2.129 -5.363 8.601 145 1HB GLU 21 1HB GLU 21 -2.869 -7.870 7.128 146 2HB GLU 21 2HB GLU 21 -1.250 -7.482 7.673 147 1HG GLU 21 1HG GLU 21 -3.654 -7.692 9.482 148 2HG GLU 21 2HG GLU 21 -2.473 -8.965 9.251 149 H VAL 22 H VAL 22 -3.857 -5.588 5.575 150 HA VAL 22 HA VAL 22 -1.801 -5.108 3.735 151 HB VAL 22 HB VAL 22 -4.715 -4.526 3.836 152 1HG1 VAL 22 1HG1 VAL 22 -3.807 -2.652 2.584 153 2HG1 VAL 22 2HG1 VAL 22 -2.898 -3.796 1.536 154 3HG1 VAL 22 3HG1 VAL 22 -4.696 -3.782 1.503 155 1HG2 VAL 22 1HG2 VAL 22 -3.004 -6.336 2.101 156 2HG2 VAL 22 2HG2 VAL 22 -4.019 -6.842 3.495 157 3HG2 VAL 22 3HG2 VAL 22 -4.794 -6.194 2.008 158 H GLN 23 H GLN 23 -3.626 -2.823 5.777 159 HA GLN 23 HA GLN 23 -2.408 -0.504 4.634 160 1HB GLN 23 1HB GLN 23 -3.430 0.654 6.307 161 2HB GLN 23 2HB GLN 23 -4.453 -0.753 6.098 162 1HG GLN 23 1HG GLN 23 -2.781 -1.521 8.097 163 2HG GLN 23 2HG GLN 23 -3.010 0.187 8.416 164 1HE2 GLN 23 2HE2 GLN 23 -3.813 -1.203 10.381 165 2HE2 GLN 23 1HE2 GLN 23 -5.542 -1.463 10.415 166 H ARG 24 H ARG 24 -0.965 -2.937 6.318 167 HA ARG 24 HA ARG 24 1.352 -1.278 7.049 168 1HB ARG 24 1HB ARG 24 0.072 -3.296 8.862 169 2HB ARG 24 2HB ARG 24 1.596 -2.485 9.162 170 1HG ARG 24 1HG ARG 24 0.552 -0.393 9.447 171 2HG ARG 24 2HG ARG 24 -0.942 -0.948 8.720 172 1HD ARG 24 1HD ARG 24 0.168 -1.849 11.366 173 2HD ARG 24 2HD ARG 24 -1.170 -0.741 11.138 174 HE ARG 24 HE ARG 24 -1.673 -3.196 9.770 175 1HH1 ARG 24 1HH2 ARG 24 -1.623 -1.829 13.011 176 2HH1 ARG 24 2HH2 ARG 24 -2.801 -2.974 13.614 177 1HH2 ARG 24 1HH1 ARG 24 -3.178 -4.616 10.616 178 2HH2 ARG 24 2HH1 ARG 24 -3.646 -4.494 12.297 179 H LYS 25 H LYS 25 0.468 -3.392 4.982 180 HA LYS 25 HA LYS 25 2.882 -5.058 5.169 181 1HB LYS 25 1HB LYS 25 1.176 -6.462 6.140 182 2HB LYS 25 2HB LYS 25 0.102 -6.150 4.792 183 1HG LYS 25 1HG LYS 25 1.186 -7.595 3.424 184 2HG LYS 25 2HG LYS 25 2.761 -7.181 4.070 185 1HD LYS 25 1HD LYS 25 0.742 -9.019 5.354 186 2HD LYS 25 2HD LYS 25 2.235 -9.504 4.576 187 1HE LYS 25 1HE LYS 25 2.922 -7.529 6.465 188 2HE LYS 25 2HE LYS 25 1.822 -8.627 7.274 189 1HZ LYS 25 1HZ LYS 25 3.217 -10.441 6.607 190 2HZ LYS 25 2HZ LYS 25 4.257 -9.403 5.842 191 3HZ LYS 25 3HZ LYS 25 4.084 -9.339 7.488 192 H ASP 26 H ASP 26 -0.017 -4.836 3.141 193 HA ASP 26 HA ASP 26 1.548 -4.882 0.706 194 1HB ASP 26 1HB ASP 26 -1.266 -3.923 0.947 195 2HB ASP 26 2HB ASP 26 -0.494 -4.721 -0.410 196 H LEU 27 H LEU 27 1.012 -3.094 -0.955 197 HA LEU 27 HA LEU 27 2.232 -0.897 -1.055 198 1HB LEU 27 1HB LEU 27 -0.758 -0.581 -1.251 199 2HB LEU 27 2HB LEU 27 0.455 0.398 -2.050 200 HG LEU 27 HG LEU 27 -0.286 -0.996 -3.683 201 1HD1 LEU 27 1HD1 LEU 27 2.095 -0.981 -3.713 202 2HD1 LEU 27 2HD1 LEU 27 2.136 -2.388 -2.596 203 3HD1 LEU 27 3HD1 LEU 27 1.470 -2.576 -4.256 204 1HD2 LEU 27 1HD2 LEU 27 -0.228 -3.323 -1.792 205 2HD2 LEU 27 2HD2 LEU 27 -1.676 -2.476 -2.438 206 3HD2 LEU 27 3HD2 LEU 27 -0.609 -3.405 -3.547 207 H SER 28 H SER 28 3.144 -0.257 0.859 208 HA SER 28 HA SER 28 1.363 1.329 2.623 209 1HB SER 28 1HB SER 28 2.283 0.464 4.625 210 2HB SER 28 2HB SER 28 1.868 -0.931 3.650 211 HG SER 28 HG SER 28 3.986 -1.062 4.509 212 H SER 29 H SER 29 3.111 1.954 0.439 213 HA SER 29 HA SER 29 4.482 4.181 1.514 214 1HB SER 29 1HB SER 29 6.003 2.059 2.027 215 2HB SER 29 2HB SER 29 6.478 2.318 0.362 216 HG SER 29 HG SER 29 7.748 3.548 1.836 217 H CYS 30 H CYS 30 3.967 1.863 -1.093 218 HA CYS 30 HA CYS 30 5.155 3.228 -3.223 219 1HB CYS 30 1HB CYS 30 2.515 1.870 -3.420 220 2HB CYS 30 2HB CYS 30 3.810 1.925 -4.599 221 H GLU 31 H GLU 31 1.603 3.259 -2.568 222 HA GLU 31 HA GLU 31 1.106 5.600 -4.048 223 1HB GLU 31 1HB GLU 31 -0.393 3.847 -2.641 224 2HB GLU 31 2HB GLU 31 -0.455 5.238 -1.577 225 1HG GLU 31 1HG GLU 31 -1.337 5.063 -4.439 226 2HG GLU 31 2HG GLU 31 -2.310 5.442 -3.031 227 H ARG 32 H ARG 32 1.977 5.237 -0.579 228 HA ARG 32 HA ARG 32 1.865 7.937 0.126 229 1HB ARG 32 1HB ARG 32 2.442 5.881 1.546 230 2HB ARG 32 2HB ARG 32 4.098 6.214 1.077 231 1HG ARG 32 1HG ARG 32 4.220 7.803 2.655 232 2HG ARG 32 2HG ARG 32 2.920 8.676 1.869 233 1HD ARG 32 1HD ARG 32 2.691 6.588 4.021 234 2HD ARG 32 2HD ARG 32 2.227 8.275 4.117 235 HE ARG 32 HE ARG 32 0.762 7.094 2.018 236 1HH1 ARG 32 1HH2 ARG 32 0.919 6.968 5.506 237 2HH1 ARG 32 2HH2 ARG 32 -0.748 6.464 5.668 238 1HH2 ARG 32 1HH1 ARG 32 -1.369 6.419 2.255 239 2HH2 ARG 32 2HH1 ARG 32 -2.024 6.157 3.856 240 H TYR 33 H TYR 33 4.298 6.352 -1.799 241 HA TYR 33 HA TYR 33 6.460 8.099 -1.668 242 1HB TYR 33 1HB TYR 33 6.168 5.840 -2.822 243 2HB TYR 33 2HB TYR 33 5.461 6.741 -4.148 244 HD1 TYR 33 1HD TYR 33 6.844 7.231 -5.933 245 HD2 TYR 33 2HD TYR 33 8.472 6.897 -1.950 246 HE1 TYR 33 1HE TYR 33 9.109 7.623 -6.850 247 HE2 TYR 33 2HE TYR 33 10.706 7.298 -2.873 248 HH TYR 33 HH TYR 33 11.939 7.701 -4.621 249 H LEU 34 H LEU 34 3.860 7.998 -4.149 250 HA LEU 34 HA LEU 34 4.605 10.623 -5.096 251 1HB LEU 34 1HB LEU 34 2.773 10.373 -6.606 252 2HB LEU 34 2HB LEU 34 3.683 8.878 -6.521 253 HG LEU 34 HG LEU 34 1.895 8.207 -4.781 254 1HD1 LEU 34 1HD1 LEU 34 0.785 10.367 -4.553 255 2HD1 LEU 34 2HD1 LEU 34 0.380 10.350 -6.306 256 3HD1 LEU 34 3HD1 LEU 34 -0.358 9.139 -5.200 257 1HD2 LEU 34 1HD2 LEU 34 1.399 8.301 -7.752 258 2HD2 LEU 34 2HD2 LEU 34 2.347 7.069 -6.848 259 3HD2 LEU 34 3HD2 LEU 34 0.571 7.202 -6.594 260 H ARG 35 H ARG 35 2.579 9.439 -2.568 261 HA ARG 35 HA ARG 35 1.057 11.914 -2.303 262 1HB ARG 35 1HB ARG 35 0.455 9.423 -1.640 263 2HB ARG 35 2HB ARG 35 1.174 9.921 -0.122 264 1HG ARG 35 1HG ARG 35 -0.450 12.053 -0.781 265 2HG ARG 35 2HG ARG 35 -1.387 10.662 -1.292 266 1HD ARG 35 1HD ARG 35 -2.037 10.890 0.926 267 2HD ARG 35 2HD ARG 35 -0.752 9.705 1.046 268 HE ARG 35 HE ARG 35 0.443 12.230 1.304 269 1HH1 ARG 35 1HH2 ARG 35 -1.830 10.253 3.106 270 2HH1 ARG 35 2HH2 ARG 35 -1.392 10.971 4.640 271 1HH2 ARG 35 1HH1 ARG 35 0.964 13.130 3.302 272 2HH2 ARG 35 2HH1 ARG 35 0.155 12.564 4.746 273 H GLN 36 H GLN 36 4.184 11.213 -1.678 274 HA GLN 36 HA GLN 36 4.485 13.328 0.259 275 1HB GLN 36 1HB GLN 36 4.085 10.897 1.376 276 2HB GLN 36 2HB GLN 36 5.829 10.894 1.206 277 1HG GLN 36 1HG GLN 36 5.743 13.261 2.206 278 2HG GLN 36 2HG GLN 36 4.105 12.864 2.683 279 1HE2 GLN 36 2HE2 GLN 36 4.143 12.541 4.829 280 2HE2 GLN 36 1HE2 GLN 36 5.266 11.489 5.660 281 H SER 37 H SER 37 7.102 12.785 1.052 282 HA SER 37 HA SER 37 8.518 13.300 -1.454 283 1HB SER 37 1HB SER 37 9.124 13.515 1.452 284 2HB SER 37 2HB SER 37 10.452 13.452 0.311 285 HG SER 37 HG SER 37 9.759 15.597 0.731 286 H SER 38 H SER 38 10.856 12.312 -1.388 287 HA SER 38 HA SER 38 10.648 9.388 -0.973 288 1HB SER 38 1HB SER 38 12.156 9.239 -3.004 289 2HB SER 38 2HB SER 38 10.467 9.612 -3.280 290 HG SER 38 HG SER 38 11.865 10.920 -4.512 291 H SER 39 H SER 39 11.980 8.778 0.558 292 HA SER 39 HA SER 39 14.788 9.385 0.369 293 1HB SER 39 1HB SER 39 13.661 11.426 1.547 294 2HB SER 39 2HB SER 39 13.574 10.345 2.924 295 HG SER 39 HG SER 39 15.549 11.533 2.865 296 H ARG 40 H ARG 40 15.885 7.707 1.132 297 HA ARG 40 HA ARG 40 14.608 5.444 2.252 298 1HB ARG 40 1HB ARG 40 16.982 4.786 2.865 299 2HB ARG 40 2HB ARG 40 16.647 5.061 1.166 300 1HG ARG 40 1HG ARG 40 17.613 7.415 2.661 301 2HG ARG 40 2HG ARG 40 18.772 6.117 2.466 302 1HD ARG 40 1HD ARG 40 17.556 6.388 -0.040 303 2HD ARG 40 2HD ARG 40 17.831 8.028 0.512 304 HE ARG 40 HE ARG 40 20.106 6.246 0.838 305 1HH1 ARG 40 1HH2 ARG 40 18.533 8.510 -1.314 306 2HH1 ARG 40 2HH2 ARG 40 20.000 8.852 -2.202 307 1HH2 ARG 40 1HH1 ARG 40 21.981 6.709 -0.314 308 2HH2 ARG 40 2HH1 ARG 40 21.922 7.846 -1.643 309 H ARG 41 H ARG 41 14.401 4.676 4.307 310 HA ARG 41 HA ARG 41 14.085 6.425 6.467 311 1HB ARG 41 1HB ARG 41 13.824 3.634 5.996 312 2HB ARG 41 2HB ARG 41 14.693 3.861 7.501 313 1HG ARG 41 1HG ARG 41 12.566 4.021 8.323 314 2HG ARG 41 2HG ARG 41 12.779 5.696 7.852 315 1HD ARG 41 1HD ARG 41 11.661 5.282 5.736 316 2HD ARG 41 2HD ARG 41 11.533 3.574 6.106 317 HE ARG 41 HE ARG 41 9.842 5.715 7.094 318 1HH1 ARG 41 1HH2 ARG 41 10.980 2.448 7.738 319 2HH1 ARG 41 2HH2 ARG 41 9.621 2.075 8.776 320 1HH2 ARG 41 1HH1 ARG 41 8.134 5.185 8.448 321 2HH2 ARG 41 2HH1 ARG 41 8.046 3.593 9.168 322 H SER 42 H SER 42 15.305 5.620 8.709 323 HA SER 42 HA SER 42 17.886 6.752 8.619 324 1HB SER 42 1HB SER 42 18.086 6.080 10.905 325 2HB SER 42 2HB SER 42 16.455 6.644 10.600 326 HG SER 42 HG SER 42 16.494 4.687 11.805 327 H THR 43 H THR 43 18.923 5.659 6.830 328 HA THR 43 HA THR 43 20.280 3.179 7.622 329 HB THR 43 HB THR 43 19.753 2.303 5.246 330 HG1 THR 43 1HG THR 43 17.695 2.989 4.519 331 1HG2 THR 43 1HG2 THR 43 18.804 1.267 7.308 332 2HG2 THR 43 2HG2 THR 43 17.481 2.484 7.268 333 3HG2 THR 43 3HG2 THR 43 17.628 1.271 5.948 334 H GLY 44 H GLY 44 22.300 3.003 6.813 335 1HA GLY 44 1HA GLY 44 23.541 5.438 5.911 336 2HA GLY 44 2HA GLY 44 24.318 3.881 6.118 337 H GLU 45 H GLU 45 25.049 2.934 4.353 338 HA GLU 45 HA GLU 45 23.541 3.128 1.853 339 1HB GLU 45 1HB GLU 45 25.157 5.103 2.019 340 2HB GLU 45 2HB GLU 45 26.426 3.917 1.798 341 1HG GLU 45 1HG GLU 45 24.399 3.410 -0.134 342 2HG GLU 45 2HG GLU 45 24.779 5.120 -0.185 343 H GLU 46 H GLU 46 23.691 0.938 3.373 344 HA GLU 46 HA GLU 46 25.394 -0.809 1.719 345 1HB GLU 46 1HB GLU 46 26.427 -0.151 4.030 346 2HB GLU 46 2HB GLU 46 25.309 -1.354 4.641 347 1HG GLU 46 1HG GLU 46 26.364 -2.679 2.523 348 2HG GLU 46 2HG GLU 46 27.733 -1.696 3.002 349 H VAL 47 H VAL 47 22.607 -0.216 1.605 350 HA VAL 47 HA VAL 47 21.302 -2.564 2.770 351 HB VAL 47 HB VAL 47 20.425 -0.134 2.549 352 1HG1 VAL 47 1HG1 VAL 47 20.570 0.105 0.134 353 2HG1 VAL 47 2HG1 VAL 47 19.471 -1.301 -0.077 354 3HG1 VAL 47 3HG1 VAL 47 18.859 0.211 0.678 355 1HG2 VAL 47 1HG2 VAL 47 18.693 -2.587 2.169 356 2HG2 VAL 47 2HG2 VAL 47 19.280 -1.909 3.727 357 3HG2 VAL 47 3HG2 VAL 47 18.109 -0.981 2.728 358 H LEU 48 H LEU 48 23.427 -2.879 0.744 359 HA LEU 48 HA LEU 48 22.307 -3.551 -1.754 360 1HB LEU 48 1HB LEU 48 24.343 -4.491 -2.246 361 2HB LEU 48 2HB LEU 48 24.729 -3.291 -1.029 362 HG LEU 48 HG LEU 48 24.263 -5.729 0.312 363 1HD1 LEU 48 1HD1 LEU 48 24.632 -6.922 -1.785 364 2HD1 LEU 48 2HD1 LEU 48 26.186 -6.048 -2.010 365 3HD1 LEU 48 3HD1 LEU 48 25.994 -7.203 -0.646 366 1HD2 LEU 48 1HD2 LEU 48 26.833 -4.229 -0.241 367 2HD2 LEU 48 2HD2 LEU 48 25.698 -3.941 1.124 368 3HD2 LEU 48 3HD2 LEU 48 26.607 -5.488 1.023 369 H ARG 49 H ARG 49 21.975 -5.088 1.286 370 HA ARG 49 HA ARG 49 21.248 -7.700 0.307 371 1HB ARG 49 1HB ARG 49 21.721 -6.474 2.825 372 2HB ARG 49 2HB ARG 49 20.116 -7.175 2.858 373 1HG ARG 49 1HG ARG 49 21.581 -8.914 3.535 374 2HG ARG 49 2HG ARG 49 21.162 -9.270 1.871 375 1HD ARG 49 1HD ARG 49 23.548 -7.576 2.231 376 2HD ARG 49 2HD ARG 49 23.709 -9.222 2.810 377 HE ARG 49 HE ARG 49 23.484 -8.337 0.040 378 1HH1 ARG 49 1HH2 ARG 49 23.212 -11.063 2.229 379 2HH1 ARG 49 2HH2 ARG 49 23.399 -12.243 0.951 380 1HH2 ARG 49 1HH1 ARG 49 23.707 -9.892 -1.578 381 2HH2 ARG 49 2HH1 ARG 49 23.674 -11.591 -1.162 382 H MET 50 H MET 50 19.347 -8.510 -0.205 383 HA MET 50 HA MET 50 16.885 -7.099 0.473 384 1HB MET 50 1HB MET 50 18.171 -6.687 -2.046 385 2HB MET 50 2HB MET 50 16.676 -7.560 -2.314 386 1HG MET 50 1HG MET 50 15.731 -5.517 -2.214 387 2HG MET 50 2HG MET 50 15.876 -5.740 -0.481 388 1HE MET 50 1HE MET 50 15.565 -3.044 -0.403 389 2HE MET 50 2HE MET 50 16.545 -3.836 0.880 390 3HE MET 50 3HE MET 50 17.111 -2.302 0.135 391 HA PRO 51 HA PRO 51 15.163 -11.137 0.084 392 1HB PRO 51 1HB PRO 51 12.644 -10.671 -0.918 393 2HB PRO 51 2HB PRO 51 13.113 -10.439 0.753 394 1HG PRO 51 1HG PRO 51 12.576 -8.424 -1.314 395 2HG PRO 51 2HG PRO 51 12.593 -8.241 0.429 396 1HD PRO 51 1HD PRO 51 14.638 -7.495 -1.396 397 2HD PRO 51 2HD PRO 51 14.699 -7.419 0.353 398 H GLY 52 H GLY 52 16.934 -10.891 -1.859 399 1HA GLY 52 1HA GLY 52 16.489 -12.808 -3.708 400 2HA GLY 52 2HA GLY 52 15.785 -11.405 -4.485 401 H ASP 53 H ASP 53 17.080 -9.675 -5.112 402 HA ASP 53 HA ASP 53 19.871 -9.437 -4.602 403 1HB ASP 53 1HB ASP 53 19.365 -11.536 -6.326 404 2HB ASP 53 2HB ASP 53 19.691 -10.202 -7.413 405 H GLU 54 H GLU 54 17.564 -9.210 -7.294 406 HA GLU 54 HA GLU 54 18.279 -6.375 -7.670 407 1HB GLU 54 1HB GLU 54 18.631 -7.156 -9.753 408 2HB GLU 54 2HB GLU 54 17.588 -8.545 -9.521 409 1HG GLU 54 1HG GLU 54 15.671 -7.367 -10.100 410 2HG GLU 54 2HG GLU 54 16.403 -5.813 -9.758 411 H ASN 55 H ASN 55 17.040 -5.180 -6.456 412 HA ASN 55 HA ASN 55 14.108 -5.666 -6.492 413 1HB ASN 55 1HB ASN 55 14.144 -4.257 -4.401 414 2HB ASN 55 2HB ASN 55 14.889 -5.837 -4.268 415 1HD2 ASN 55 2HD2 ASN 55 17.196 -6.002 -4.398 416 2HD2 ASN 55 1HD2 ASN 55 18.199 -4.652 -3.919 417 H GLN 56 H GLN 56 15.743 -4.277 -8.506 418 HA GLN 56 HA GLN 56 14.745 -1.510 -8.231 419 1HB GLN 56 1HB GLN 56 16.441 -1.366 -10.298 420 2HB GLN 56 2HB GLN 56 16.918 -1.117 -8.631 421 1HG GLN 56 1HG GLN 56 17.796 -3.321 -8.460 422 2HG GLN 56 2HG GLN 56 17.060 -3.804 -9.974 423 1HE2 GLN 56 2HE2 GLN 56 17.844 -2.853 -11.955 424 2HE2 GLN 56 1HE2 GLN 56 19.492 -2.270 -12.041 425 H GLN 57 H GLN 57 14.503 -0.563 -10.628 426 HA GLN 57 HA GLN 57 13.411 -2.388 -12.567 427 1HB GLN 57 1HB GLN 57 11.615 -2.092 -10.714 428 2HB GLN 57 2HB GLN 57 11.389 -0.500 -11.412 429 1HG GLN 57 1HG GLN 57 9.841 -1.882 -12.529 430 2HG GLN 57 2HG GLN 57 11.170 -1.674 -13.652 431 1HE2 GLN 57 2HE2 GLN 57 10.368 -3.584 -14.733 432 2HE2 GLN 57 1HE2 GLN 57 10.754 -5.169 -14.100 433 H GLN 58 H GLN 58 12.599 0.934 -11.616 434 HA GLN 58 HA GLN 58 13.866 1.913 -14.103 435 1HB GLN 58 1HB GLN 58 11.176 1.953 -13.578 436 2HB GLN 58 2HB GLN 58 11.683 3.554 -13.077 437 1HG GLN 58 1HG GLN 58 11.091 3.593 -15.434 438 2HG GLN 58 2HG GLN 58 12.815 3.849 -15.257 439 1HE2 GLN 58 2HE2 GLN 58 14.080 2.720 -16.600 440 2HE2 GLN 58 1HE2 GLN 58 13.660 1.195 -17.346 441 H GLU 59 H GLU 59 14.080 4.423 -13.915 442 HA GLU 59 HA GLU 59 16.055 4.988 -11.997 443 1HB GLU 59 1HB GLU 59 14.390 6.714 -13.779 444 2HB GLU 59 2HB GLU 59 15.519 7.420 -12.642 445 1HG GLU 59 1HG GLU 59 16.952 5.392 -13.911 446 2HG GLU 59 2HG GLU 59 16.039 6.168 -15.189 447 H SER 60 H SER 60 15.358 4.449 -9.956 448 HA SER 60 HA SER 60 14.313 6.321 -8.239 449 1HB SER 60 1HB SER 60 12.165 4.870 -9.645 450 2HB SER 60 2HB SER 60 12.009 4.993 -7.904 451 HG SER 60 HG SER 60 11.027 6.744 -8.996 452 H GLN 61 H GLN 61 16.227 5.114 -7.474 453 HA GLN 61 HA GLN 61 16.098 2.449 -6.595 454 1HB GLN 61 1HB GLN 61 17.850 3.003 -5.053 455 2HB GLN 61 2HB GLN 61 18.122 3.870 -6.550 456 1HG GLN 61 1HG GLN 61 16.904 5.827 -5.444 457 2HG GLN 61 2HG GLN 61 17.093 4.947 -3.940 458 1HE2 GLN 61 2HE2 GLN 61 18.149 7.326 -3.851 459 2HE2 GLN 61 1HE2 GLN 61 19.887 7.296 -4.037 460 H GLN 62 H GLN 62 14.533 5.325 -5.297 461 HA GLN 62 HA GLN 62 13.971 4.294 -2.711 462 1HB GLN 62 1HB GLN 62 13.438 6.592 -4.126 463 2HB GLN 62 2HB GLN 62 11.854 5.899 -3.843 464 1HG GLN 62 1HG GLN 62 13.915 6.305 -1.690 465 2HG GLN 62 2HG GLN 62 12.649 7.462 -2.055 466 1HE2 GLN 62 2HE2 GLN 62 10.783 7.302 -0.883 467 2HE2 GLN 62 1HE2 GLN 62 10.316 5.886 0.031 468 H LEU 63 H LEU 63 12.140 4.016 -5.796 469 HA LEU 63 HA LEU 63 9.823 2.771 -4.895 470 1HB LEU 63 1HB LEU 63 11.429 2.664 -7.357 471 2HB LEU 63 2HB LEU 63 10.282 1.359 -7.130 472 HG LEU 63 HG LEU 63 8.479 2.744 -7.249 473 1HD1 LEU 63 1HD1 LEU 63 9.119 4.425 -5.589 474 2HD1 LEU 63 2HD1 LEU 63 10.252 5.154 -6.780 475 3HD1 LEU 63 3HD1 LEU 63 8.481 5.191 -7.086 476 1HD2 LEU 63 1HD2 LEU 63 10.557 3.996 -9.057 477 2HD2 LEU 63 2HD2 LEU 63 9.562 2.542 -9.415 478 3HD2 LEU 63 3HD2 LEU 63 8.776 4.150 -9.250 479 H GLN 64 H GLN 64 13.047 1.415 -5.036 480 HA GLN 64 HA GLN 64 12.617 -1.276 -4.693 481 1HB GLN 64 1HB GLN 64 14.700 -1.389 -3.792 482 2HB GLN 64 2HB GLN 64 14.766 0.178 -4.574 483 1HG GLN 64 1HG GLN 64 14.069 1.118 -2.263 484 2HG GLN 64 2HG GLN 64 14.559 -0.446 -1.643 485 1HE2 GLN 64 2HE2 GLN 64 16.761 -1.021 -3.168 486 2HE2 GLN 64 1HE2 GLN 64 18.021 0.144 -2.827 487 H GLN 65 H GLN 65 11.849 1.255 -2.387 488 HA GLN 65 HA GLN 65 11.406 -0.438 -0.124 489 1HB GLN 65 1HB GLN 65 11.264 2.355 -0.725 490 2HB GLN 65 2HB GLN 65 9.781 1.862 0.066 491 1HG GLN 65 1HG GLN 65 12.308 0.842 1.212 492 2HG GLN 65 2HG GLN 65 11.983 2.551 1.420 493 1HE2 GLN 65 2HE2 GLN 65 12.145 0.504 3.470 494 2HE2 GLN 65 1HE2 GLN 65 10.591 0.486 4.273 495 H CYS 66 H CYS 66 9.381 0.804 -2.757 496 HA CYS 66 HA CYS 66 6.945 -0.337 -1.745 497 1HB CYS 66 1HB CYS 66 6.774 1.450 -3.303 498 2HB CYS 66 2HB CYS 66 7.754 0.592 -4.473 499 H CYS 67 H CYS 67 9.326 -1.368 -4.294 500 HA CYS 67 HA CYS 67 8.015 -3.807 -4.879 501 1HB CYS 67 1HB CYS 67 10.039 -2.693 -5.995 502 2HB CYS 67 2HB CYS 67 10.985 -3.567 -4.805 503 H ASN 68 H ASN 68 10.668 -3.207 -2.542 504 HA ASN 68 HA ASN 68 10.679 -5.764 -1.357 505 1HB ASN 68 1HB ASN 68 11.471 -3.034 -0.457 506 2HB ASN 68 2HB ASN 68 11.461 -4.347 0.703 507 1HD2 ASN 68 2HD2 ASN 68 12.522 -3.776 -2.676 508 2HD2 ASN 68 1HD2 ASN 68 14.047 -4.612 -2.489 509 H GLN 69 H GLN 69 8.430 -3.146 -0.999 510 HA GLN 69 HA GLN 69 7.248 -4.106 1.469 511 1HB GLN 69 1HB GLN 69 6.797 -1.856 -0.397 512 2HB GLN 69 2HB GLN 69 5.428 -2.380 0.562 513 1HG GLN 69 1HG GLN 69 8.075 -1.951 1.877 514 2HG GLN 69 2HG GLN 69 7.060 -0.571 1.510 515 1HE2 GLN 69 2HE2 GLN 69 7.364 -0.528 3.960 516 2HE2 GLN 69 1HE2 GLN 69 6.106 -1.318 4.885 517 H VAL 70 H VAL 70 6.127 -3.860 -1.901 518 HA VAL 70 HA VAL 70 3.811 -5.473 -1.589 519 HB VAL 70 HB VAL 70 5.390 -5.120 -4.121 520 1HG1 VAL 70 1HG1 VAL 70 3.518 -6.721 -4.243 521 2HG1 VAL 70 2HG1 VAL 70 2.415 -5.460 -3.592 522 3HG1 VAL 70 3HG1 VAL 70 3.173 -5.243 -5.206 523 1HG2 VAL 70 1HG2 VAL 70 3.347 -3.230 -2.912 524 2HG2 VAL 70 2HG2 VAL 70 5.108 -2.911 -3.079 525 3HG2 VAL 70 3HG2 VAL 70 4.082 -3.077 -4.546 526 H LYS 71 H LYS 71 7.131 -6.288 -1.610 527 HA LYS 71 HA LYS 71 6.827 -8.980 -2.594 528 1HB LYS 71 1HB LYS 71 8.955 -7.563 -2.459 529 2HB LYS 71 2HB LYS 71 9.006 -8.037 -0.773 530 1HG LYS 71 1HG LYS 71 10.047 -9.909 -1.438 531 2HG LYS 71 2HG LYS 71 8.520 -10.410 -2.136 532 1HD LYS 71 1HD LYS 71 9.237 -9.040 -4.199 533 2HD LYS 71 2HD LYS 71 10.841 -9.072 -3.496 534 1HE LYS 71 1HE LYS 71 10.501 -11.617 -3.328 535 2HE LYS 71 2HE LYS 71 9.174 -11.378 -4.448 536 1HZ LYS 71 1HZ LYS 71 10.707 -10.364 -5.972 537 2HZ LYS 71 2HZ LYS 71 11.961 -10.590 -4.914 538 3HZ LYS 71 3HZ LYS 71 11.203 -11.898 -5.591 539 H GLN 72 H GLN 72 6.357 -7.392 0.461 540 HA GLN 72 HA GLN 72 5.991 -9.959 1.845 541 1HB GLN 72 1HB GLN 72 6.241 -7.117 2.747 542 2HB GLN 72 2HB GLN 72 5.603 -8.345 3.821 543 1HG GLN 72 1HG GLN 72 8.183 -8.777 2.357 544 2HG GLN 72 2HG GLN 72 8.148 -7.877 3.860 545 1HE2 GLN 72 2HE2 GLN 72 8.951 -10.782 2.756 546 2HE2 GLN 72 1HE2 GLN 72 8.450 -11.800 4.088 547 H VAL 73 H VAL 73 4.132 -8.573 -0.283 548 HA VAL 73 HA VAL 73 1.704 -8.063 1.126 549 HB VAL 73 HB VAL 73 2.589 -7.636 -1.340 550 1HG1 VAL 73 1HG1 VAL 73 2.407 -9.913 -2.155 551 2HG1 VAL 73 2HG1 VAL 73 0.664 -9.930 -1.716 552 3HG1 VAL 73 3HG1 VAL 73 1.255 -8.826 -3.006 553 1HG2 VAL 73 1HG2 VAL 73 -0.288 -7.821 -0.512 554 2HG2 VAL 73 2HG2 VAL 73 0.826 -6.429 -0.276 555 3HG2 VAL 73 3HG2 VAL 73 0.337 -6.919 -1.936 556 H ARG 74 H ARG 74 -0.325 -9.375 0.584 557 HA ARG 74 HA ARG 74 0.010 -12.019 1.651 558 1HB ARG 74 1HB ARG 74 -2.399 -10.706 0.437 559 2HB ARG 74 2HB ARG 74 -2.407 -12.222 1.315 560 1HG ARG 74 1HG ARG 74 -1.311 -9.694 2.522 561 2HG ARG 74 2HG ARG 74 -3.007 -10.116 2.645 562 1HD ARG 74 1HD ARG 74 -1.813 -12.449 3.408 563 2HD ARG 74 2HD ARG 74 -0.684 -11.263 4.030 564 HE ARG 74 HE ARG 74 -2.288 -10.514 5.556 565 1HH1 ARG 74 1HH2 ARG 74 -3.714 -12.870 3.357 566 2HH1 ARG 74 2HH2 ARG 74 -5.188 -12.988 4.293 567 1HH2 ARG 74 1HH1 ARG 74 -4.216 -10.681 6.694 568 2HH2 ARG 74 2HH1 ARG 74 -5.467 -11.774 6.144 569 H ASP 75 H ASP 75 -1.263 -10.916 -1.474 570 HA ASP 75 HA ASP 75 -0.120 -12.453 -3.341 571 1HB ASP 75 1HB ASP 75 -1.724 -14.470 -3.477 572 2HB ASP 75 2HB ASP 75 -0.309 -14.554 -2.447 573 H GLU 76 H GLU 76 -3.322 -11.913 -1.994 574 HA GLU 76 HA GLU 76 -4.261 -10.914 -4.617 575 1HB GLU 76 1HB GLU 76 -6.418 -11.937 -4.245 576 2HB GLU 76 2HB GLU 76 -5.148 -13.141 -4.331 577 1HG GLU 76 1HG GLU 76 -5.210 -13.491 -1.971 578 2HG GLU 76 2HG GLU 76 -6.262 -12.110 -1.734 579 H CYS 77 H CYS 77 -3.616 -10.229 -1.489 580 HA CYS 77 HA CYS 77 -5.840 -8.377 -1.133 581 1HB CYS 77 1HB CYS 77 -3.476 -9.008 0.583 582 2HB CYS 77 2HB CYS 77 -4.788 -7.933 1.023 583 H GLN 78 H GLN 78 -2.965 -8.407 -2.798 584 HA GLN 78 HA GLN 78 -1.881 -5.852 -2.335 585 1HB GLN 78 1HB GLN 78 -1.135 -6.123 -4.775 586 2HB GLN 78 2HB GLN 78 -0.592 -7.320 -3.617 587 1HG GLN 78 1HG GLN 78 -1.631 -8.989 -4.702 588 2HG GLN 78 2HG GLN 78 -3.104 -8.059 -4.893 589 1HE2 GLN 78 2HE2 GLN 78 0.265 -7.973 -6.123 590 2HE2 GLN 78 1HE2 GLN 78 -0.192 -7.641 -7.778 591 H CYS 79 H CYS 79 -4.522 -6.910 -4.519 592 HA CYS 79 HA CYS 79 -4.881 -4.385 -5.774 593 1HB CYS 79 1HB CYS 79 -6.314 -6.898 -5.602 594 2HB CYS 79 2HB CYS 79 -7.371 -5.506 -5.724 595 H GLU 80 H GLU 80 -7.091 -5.930 -3.434 596 HA GLU 80 HA GLU 80 -8.598 -3.858 -2.601 597 1HB GLU 80 1HB GLU 80 -8.987 -5.992 -1.670 598 2HB GLU 80 2HB GLU 80 -7.401 -6.031 -0.927 599 1HG GLU 80 1HG GLU 80 -8.786 -3.696 -0.042 600 2HG GLU 80 2HG GLU 80 -9.815 -5.094 0.195 601 H ALA 81 H ALA 81 -5.261 -4.429 -1.570 602 HA ALA 81 HA ALA 81 -4.962 -2.491 0.360 603 1HB ALA 81 1HB ALA 81 -3.201 -4.047 -0.307 604 2HB ALA 81 2HB ALA 81 -3.055 -3.194 -1.883 605 3HB ALA 81 3HB ALA 81 -2.616 -2.348 -0.358 606 H ILE 82 H ILE 82 -4.232 -1.918 -3.144 607 HA ILE 82 HA ILE 82 -4.241 0.883 -2.897 608 HB ILE 82 HB ILE 82 -4.106 -1.054 -4.950 609 1HG1 ILE 82 1HG1 ILE 82 -2.654 0.483 -5.986 610 2HG1 ILE 82 2HG1 ILE 82 -3.388 1.845 -5.165 611 1HG2 ILE 82 1HG2 ILE 82 -6.315 -0.363 -5.692 612 2HG2 ILE 82 2HG2 ILE 82 -5.777 1.353 -5.700 613 3HG2 ILE 82 3HG2 ILE 82 -5.052 0.178 -6.852 614 1HD1 ILE 82 1HD1 ILE 82 -2.570 1.003 -2.987 615 2HD1 ILE 82 2HD1 ILE 82 -1.816 -0.395 -3.830 616 3HD1 ILE 82 3HD1 ILE 82 -1.215 1.271 -4.138 617 H LYS 83 H LYS 83 -6.960 -1.330 -3.343 618 HA LYS 83 HA LYS 83 -8.851 0.769 -3.807 619 1HB LYS 83 1HB LYS 83 -9.470 -1.938 -2.687 620 2HB LYS 83 2HB LYS 83 -10.517 -0.897 -3.630 621 1HG LYS 83 1HG LYS 83 -8.065 -2.370 -4.565 622 2HG LYS 83 2HG LYS 83 -9.718 -2.606 -5.095 623 1HD LYS 83 1HD LYS 83 -8.182 -0.059 -5.562 624 2HD LYS 83 2HD LYS 83 -8.253 -1.371 -6.721 625 1HE LYS 83 1HE LYS 83 -10.841 -1.133 -6.355 626 2HE LYS 83 2HE LYS 83 -10.403 0.484 -5.838 627 1HZ LYS 83 1HZ LYS 83 -9.268 0.789 -7.916 628 2HZ LYS 83 2HZ LYS 83 -9.681 -0.738 -8.404 629 3HZ LYS 83 3HZ LYS 83 -10.857 0.406 -8.180 630 H TYR 84 H TYR 84 -7.069 0.146 -1.151 631 HA TYR 84 HA TYR 84 -8.999 1.202 0.801 632 1HB TYR 84 1HB TYR 84 -8.417 -0.885 1.582 633 2HB TYR 84 2HB TYR 84 -6.797 -0.789 0.920 634 HD1 TYR 84 1HD TYR 84 -4.955 0.023 2.205 635 HD2 TYR 84 2HD TYR 84 -9.001 0.433 3.658 636 HE1 TYR 84 1HE TYR 84 -4.118 0.955 4.334 637 HE2 TYR 84 2HE TYR 84 -8.140 0.967 5.903 638 HH TYR 84 HH TYR 84 -6.468 1.596 7.046 639 H ILE 85 H ILE 85 -5.454 1.038 0.217 640 HA ILE 85 HA ILE 85 -4.972 3.420 1.739 641 HB ILE 85 HB ILE 85 -3.426 1.459 1.466 642 1HG1 ILE 85 1HG1 ILE 85 -2.276 4.170 0.865 643 2HG1 ILE 85 2HG1 ILE 85 -2.822 3.642 2.444 644 1HG2 ILE 85 1HG2 ILE 85 -3.524 1.136 -0.969 645 2HG2 ILE 85 2HG2 ILE 85 -2.778 2.755 -1.205 646 3HG2 ILE 85 3HG2 ILE 85 -1.838 1.437 -0.420 647 1HD1 ILE 85 1HD1 ILE 85 -1.178 1.809 2.423 648 2HD1 ILE 85 2HD1 ILE 85 -0.619 2.352 0.804 649 3HD1 ILE 85 3HD1 ILE 85 -0.383 3.411 2.237 650 H ALA 86 H ALA 86 -4.820 2.602 -1.729 651 HA ALA 86 HA ALA 86 -4.225 5.207 -2.643 652 1HB ALA 86 1HB ALA 86 -3.945 3.239 -4.083 653 2HB ALA 86 2HB ALA 86 -5.726 2.995 -4.079 654 3HB ALA 86 3HB ALA 86 -5.021 4.457 -4.851 655 H GLU 87 H GLU 87 -7.351 3.498 -2.221 656 HA GLU 87 HA GLU 87 -8.884 5.824 -2.877 657 1HB GLU 87 1HB GLU 87 -9.512 3.282 -2.726 658 2HB GLU 87 2HB GLU 87 -9.998 3.735 -1.104 659 1HG GLU 87 1HG GLU 87 -11.288 5.648 -2.196 660 2HG GLU 87 2HG GLU 87 -11.018 4.821 -3.716 661 H ASP 88 H ASP 88 -7.419 4.724 0.084 662 HA ASP 88 HA ASP 88 -8.970 6.142 1.988 663 1HB ASP 88 1HB ASP 88 -6.305 4.882 1.949 664 2HB ASP 88 2HB ASP 88 -6.531 6.160 3.127 665 H GLN 89 H GLN 89 -5.637 6.806 0.927 666 HA GLN 89 HA GLN 89 -5.564 9.472 1.683 667 1HB GLN 89 1HB GLN 89 -3.758 9.795 0.121 668 2HB GLN 89 2HB GLN 89 -3.580 8.261 0.950 669 1HG GLN 89 1HG GLN 89 -3.244 7.458 -1.138 670 2HG GLN 89 2HG GLN 89 -4.993 7.490 -1.227 671 1HE2 GLN 89 2HE2 GLN 89 -2.076 8.800 -2.461 672 2HE2 GLN 89 1HE2 GLN 89 -2.790 10.014 -3.498 673 H ILE 90 H ILE 90 -7.126 8.044 -1.168 674 HA ILE 90 HA ILE 90 -7.438 10.503 -2.583 675 HB ILE 90 HB ILE 90 -8.735 7.858 -2.655 676 1HG1 ILE 90 1HG1 ILE 90 -7.541 9.335 -4.936 677 2HG1 ILE 90 2HG1 ILE 90 -6.571 8.418 -3.801 678 1HG2 ILE 90 1HG2 ILE 90 -10.658 9.280 -2.962 679 2HG2 ILE 90 2HG2 ILE 90 -9.788 10.201 -4.238 680 3HG2 ILE 90 3HG2 ILE 90 -10.217 8.476 -4.509 681 1HD1 ILE 90 1HD1 ILE 90 -7.849 6.359 -4.339 682 2HD1 ILE 90 2HD1 ILE 90 -8.843 7.301 -5.504 683 3HD1 ILE 90 3HD1 ILE 90 -7.087 7.063 -5.808 684 H GLN 91 H GLN 91 -9.530 8.833 -0.235 685 HA GLN 91 HA GLN 91 -11.422 11.019 -0.244 686 1HB GLN 91 1HB GLN 91 -11.100 8.612 1.499 687 2HB GLN 91 2HB GLN 91 -12.407 9.767 1.666 688 1HG GLN 91 1HG GLN 91 -13.472 9.034 -0.207 689 2HG GLN 91 2HG GLN 91 -11.975 8.702 -1.054 690 1HE2 GLN 91 2HE2 GLN 91 -14.513 7.402 0.896 691 2HE2 GLN 91 1HE2 GLN 91 -13.928 5.754 0.951 692 H GLN 92 H GLN 92 -8.564 10.215 1.547 693 HA GLN 92 HA GLN 92 -9.098 11.969 3.763 694 1HB GLN 92 1HB GLN 92 -7.510 9.875 3.560 695 2HB GLN 92 2HB GLN 92 -6.341 11.082 3.066 696 1HG GLN 92 1HG GLN 92 -7.925 11.084 5.630 697 2HG GLN 92 2HG GLN 92 -6.218 10.721 5.473 698 1HE2 GLN 92 2HE2 GLN 92 -8.591 13.171 5.826 699 2HE2 GLN 92 1HE2 GLN 92 -7.510 14.545 5.773 700 H GLY 93 H GLY 93 -6.789 12.081 1.086 701 1HA GLY 93 1HA GLY 93 -6.101 14.835 1.454 702 2HA GLY 93 2HA GLY 93 -5.704 13.824 0.079 703 H GLN 94 H GLN 94 -6.141 16.116 -0.798 704 HA GLN 94 HA GLN 94 -8.974 16.667 -1.255 705 1HB GLN 94 1HB GLN 94 -6.598 18.059 -2.457 706 2HB GLN 94 2HB GLN 94 -8.237 18.667 -2.327 707 1HG GLN 94 1HG GLN 94 -7.895 18.315 0.227 708 2HG GLN 94 2HG GLN 94 -6.189 18.304 -0.175 709 1HE2 GLN 94 2HE2 GLN 94 -5.371 20.205 0.463 710 2HE2 GLN 94 1HE2 GLN 94 -6.071 21.768 0.107 711 H LEU 95 H LEU 95 -8.402 14.110 -2.205 712 HA LEU 95 HA LEU 95 -8.021 14.491 -5.118 713 1HB LEU 95 1HB LEU 95 -8.369 11.924 -3.629 714 2HB LEU 95 2HB LEU 95 -7.727 12.149 -5.243 715 HG LEU 95 HG LEU 95 -5.897 11.673 -3.929 716 1HD1 LEU 95 1HD1 LEU 95 -5.425 13.554 -5.393 717 2HD1 LEU 95 2HD1 LEU 95 -5.971 14.693 -4.114 718 3HD1 LEU 95 3HD1 LEU 95 -4.497 13.696 -3.859 719 1HD2 LEU 95 1HD2 LEU 95 -6.788 13.696 -1.889 720 2HD2 LEU 95 2HD2 LEU 95 -6.811 11.908 -1.707 721 3HD2 LEU 95 3HD2 LEU 95 -5.244 12.775 -1.864 722 H HIS 96 H HIS 96 -10.414 15.242 -3.347 723 HA HIS 96 HA HIS 96 -12.546 13.714 -4.676 724 1HB HIS 96 1HB HIS 96 -12.287 15.406 -2.282 725 2HB HIS 96 2HB HIS 96 -13.837 15.432 -3.100 726 HD1 HIS 96 1HD HIS 96 -15.305 14.008 -1.601 727 HD2 HIS 96 2HD HIS 96 -11.560 12.278 -2.523 728 HE1 HIS 96 1HE HIS 96 -15.337 11.619 -0.625 729 HE2 HIS 96 2HE HIS 96 -13.099 10.572 -1.258 730 H GLY 97 H GLY 97 -14.560 15.314 -5.105 731 1HA GLY 97 1HA GLY 97 -15.373 17.105 -6.370 732 2HA GLY 97 2HA GLY 97 -13.769 17.812 -6.385 733 H GLU 98 H GLU 98 -12.119 16.402 -7.673 734 HA GLU 98 HA GLU 98 -12.867 14.750 -9.796 735 1HB GLU 98 1HB GLU 98 -13.841 17.250 -10.304 736 2HB GLU 98 2HB GLU 98 -12.319 17.256 -11.173 737 1HG GLU 98 1HG GLU 98 -13.010 15.677 -12.661 738 2HG GLU 98 2HG GLU 98 -13.937 14.804 -11.457 739 H GLU 99 H GLU 99 -10.834 14.650 -8.073 740 HA GLU 99 HA GLU 99 -8.477 15.042 -9.788 741 1HB GLU 99 1HB GLU 99 -7.409 15.635 -7.364 742 2HB GLU 99 2HB GLU 99 -7.810 16.798 -8.612 743 1HG GLU 99 1HG GLU 99 -10.055 17.031 -7.546 744 2HG GLU 99 2HG GLU 99 -9.458 16.045 -6.226 745 H SER 100 H SER 100 -10.365 12.937 -8.391 746 HA SER 100 HA SER 100 -8.531 11.296 -6.910 747 1HB SER 100 1HB SER 100 -10.585 10.615 -6.326 748 2HB SER 100 2HB SER 100 -11.292 11.135 -7.843 749 HG SER 100 HG SER 100 -11.379 8.868 -7.566 750 H GLU 101 H GLU 101 -9.625 11.434 -10.282 751 HA GLU 101 HA GLU 101 -8.380 9.058 -11.151 752 1HB GLU 101 1HB GLU 101 -9.723 11.253 -12.349 753 2HB GLU 101 2HB GLU 101 -8.240 10.962 -13.235 754 1HG GLU 101 1HG GLU 101 -8.979 8.453 -13.077 755 2HG GLU 101 2HG GLU 101 -10.567 9.138 -12.805 756 H ARG 102 H ARG 102 -7.074 12.197 -10.387 757 HA ARG 102 HA ARG 102 -4.566 11.903 -11.737 758 1HB ARG 102 1HB ARG 102 -5.516 13.573 -9.451 759 2HB ARG 102 2HB ARG 102 -3.843 13.595 -9.966 760 1HG ARG 102 1HG ARG 102 -4.322 14.633 -11.956 761 2HG ARG 102 2HG ARG 102 -5.942 13.968 -12.033 762 1HD ARG 102 1HD ARG 102 -5.533 16.524 -11.508 763 2HD ARG 102 2HD ARG 102 -6.841 15.638 -10.752 764 HE ARG 102 HE ARG 102 -5.887 16.103 -8.727 765 1HH1 ARG 102 1HH2 ARG 102 -3.344 16.226 -11.143 766 2HH1 ARG 102 2HH2 ARG 102 -2.098 16.546 -9.958 767 1HH2 ARG 102 1HH1 ARG 102 -4.225 16.438 -7.231 768 2HH2 ARG 102 2HH1 ARG 102 -2.586 16.663 -7.801 769 H VAL 103 H VAL 103 -5.767 10.907 -8.578 770 HA VAL 103 HA VAL 103 -3.167 10.004 -7.675 771 HB VAL 103 HB VAL 103 -5.928 9.956 -6.628 772 1HG1 VAL 103 1HG1 VAL 103 -5.189 7.632 -6.296 773 2HG1 VAL 103 2HG1 VAL 103 -3.676 8.235 -5.536 774 3HG1 VAL 103 3HG1 VAL 103 -5.259 8.521 -4.735 775 1HG2 VAL 103 1HG2 VAL 103 -3.212 10.780 -5.549 776 2HG2 VAL 103 2HG2 VAL 103 -4.453 11.873 -6.253 777 3HG2 VAL 103 3HG2 VAL 103 -4.781 11.020 -4.705 778 H ALA 104 H ALA 104 -6.052 8.521 -9.109 779 HA ALA 104 HA ALA 104 -5.270 5.830 -8.873 780 1HB ALA 104 1HB ALA 104 -7.521 6.547 -9.540 781 2HB ALA 104 2HB ALA 104 -6.850 7.205 -11.073 782 3HB ALA 104 3HB ALA 104 -6.816 5.434 -10.765 783 H GLN 105 H GLN 105 -4.630 8.182 -11.493 784 HA GLN 105 HA GLN 105 -2.984 6.354 -12.975 785 1HB GLN 105 1HB GLN 105 -2.395 8.252 -14.323 786 2HB GLN 105 2HB GLN 105 -4.110 8.308 -13.967 787 1HG GLN 105 1HG GLN 105 -3.689 9.943 -12.195 788 2HG GLN 105 2HG GLN 105 -1.974 9.886 -12.551 789 1HE2 GLN 105 2HE2 GLN 105 -1.366 11.712 -13.468 790 2HE2 GLN 105 1HE2 GLN 105 -2.247 12.562 -14.717 791 H ARG 106 H ARG 106 -2.405 8.594 -10.361 792 HA ARG 106 HA ARG 106 0.398 8.856 -10.596 793 1HB ARG 106 1HB ARG 106 -1.541 9.800 -8.876 794 2HB ARG 106 2HB ARG 106 -0.546 8.779 -7.859 795 1HG ARG 106 1HG ARG 106 1.100 10.292 -7.835 796 2HG ARG 106 2HG ARG 106 1.103 10.390 -9.585 797 1HD ARG 106 1HD ARG 106 0.377 12.489 -9.313 798 2HD ARG 106 2HD ARG 106 -1.169 11.770 -8.912 799 HE ARG 106 HE ARG 106 -0.852 12.290 -6.668 800 1HH1 ARG 106 1HH2 ARG 106 2.118 12.884 -8.441 801 2HH1 ARG 106 2HH2 ARG 106 2.843 13.776 -7.123 802 1HH2 ARG 106 1HH1 ARG 106 0.092 13.449 -5.031 803 2HH2 ARG 106 2HH1 ARG 106 1.709 14.090 -5.216 804 H ALA 107 H ALA 107 -1.522 6.730 -8.430 805 HA ALA 107 HA ALA 107 0.626 5.325 -7.366 806 1HB ALA 107 1HB ALA 107 -1.661 5.134 -6.518 807 2HB ALA 107 2HB ALA 107 -2.145 4.284 -8.027 808 3HB ALA 107 3HB ALA 107 -0.982 3.512 -6.894 809 H GLY 108 H GLY 108 -1.039 4.901 -10.424 810 1HA GLY 108 1HA GLY 108 -0.037 2.617 -11.522 811 2HA GLY 108 2HA GLY 108 -0.300 4.097 -12.423 812 H GLU 109 H GLU 109 1.755 5.643 -11.104 813 HA GLU 109 HA GLU 109 4.036 5.073 -12.618 814 1HB GLU 109 1HB GLU 109 3.538 6.722 -10.183 815 2HB GLU 109 2HB GLU 109 5.180 6.492 -10.749 816 1HG GLU 109 1HG GLU 109 4.238 7.193 -13.059 817 2HG GLU 109 2HG GLU 109 2.888 7.830 -12.142 818 H ILE 110 H ILE 110 3.670 4.591 -9.093 819 HA ILE 110 HA ILE 110 6.028 2.969 -8.954 820 HB ILE 110 HB ILE 110 3.777 3.278 -7.008 821 1HG1 ILE 110 1HG1 ILE 110 4.576 5.398 -6.955 822 2HG1 ILE 110 2HG1 ILE 110 5.758 4.667 -5.888 823 1HG2 ILE 110 1HG2 ILE 110 5.021 1.226 -6.597 824 2HG2 ILE 110 2HG2 ILE 110 6.564 2.147 -6.646 825 3HG2 ILE 110 3HG2 ILE 110 5.383 2.443 -5.323 826 1HD1 ILE 110 1HD1 ILE 110 7.330 4.398 -7.775 827 2HD1 ILE 110 2HD1 ILE 110 6.118 5.147 -8.869 828 3HD1 ILE 110 3HD1 ILE 110 6.857 6.118 -7.549 829 H VAL 111 H VAL 111 2.703 2.343 -9.594 830 HA VAL 111 HA VAL 111 2.636 -0.415 -9.110 831 HB VAL 111 HB VAL 111 1.208 1.199 -11.153 832 1HG1 VAL 111 1HG1 VAL 111 1.176 -1.103 -11.899 833 2HG1 VAL 111 2HG1 VAL 111 0.600 -1.621 -10.277 834 3HG1 VAL 111 3HG1 VAL 111 -0.446 -0.591 -11.315 835 1HG2 VAL 111 1HG2 VAL 111 0.386 0.226 -8.412 836 2HG2 VAL 111 2HG2 VAL 111 0.762 1.918 -8.887 837 3HG2 VAL 111 3HG2 VAL 111 -0.681 1.092 -9.571 838 H SER 112 H SER 112 3.343 1.278 -12.157 839 HA SER 112 HA SER 112 4.072 -0.979 -13.641 840 1HB SER 112 1HB SER 112 5.103 0.500 -15.154 841 2HB SER 112 2HB SER 112 3.765 1.388 -14.452 842 HG SER 112 HG SER 112 5.700 2.623 -14.514 843 H SER 113 H SER 113 5.857 0.799 -11.224 844 HA SER 113 HA SER 113 8.436 -0.277 -11.777 845 1HB SER 113 1HB SER 113 7.475 0.628 -9.092 846 2HB SER 113 2HB SER 113 9.099 0.698 -9.746 847 HG SER 113 HG SER 113 8.032 2.736 -9.829 848 H CYS 114 H CYS 114 6.448 -0.942 -8.889 849 HA CYS 114 HA CYS 114 6.591 -3.812 -9.290 850 1HB CYS 114 1HB CYS 114 8.834 -3.094 -8.370 851 2HB CYS 114 2HB CYS 114 7.981 -2.696 -6.892 852 H GLY 115 H GLY 115 4.585 -1.774 -9.033 853 1HA GLY 115 1HA GLY 115 3.224 -2.740 -6.575 854 2HA GLY 115 2HA GLY 115 3.081 -1.090 -7.149 855 H VAL 116 H VAL 116 3.179 -3.969 -9.238 856 HA VAL 116 HA VAL 116 0.735 -3.188 -10.517 857 HB VAL 116 HB VAL 116 2.355 -4.187 -11.834 858 1HG1 VAL 116 1HG1 VAL 116 3.667 -5.302 -10.095 859 2HG1 VAL 116 2HG1 VAL 116 2.375 -6.541 -9.925 860 3HG1 VAL 116 3HG1 VAL 116 3.310 -6.423 -11.455 861 1HG2 VAL 116 1HG2 VAL 116 0.234 -6.273 -11.301 862 2HG2 VAL 116 2HG2 VAL 116 0.096 -4.872 -12.419 863 3HG2 VAL 116 3HG2 VAL 116 1.274 -6.185 -12.765 864 H ARG 117 H ARG 117 -0.650 -2.986 -8.690 865 HA ARG 117 HA ARG 117 -1.385 -5.542 -7.418 866 1HB ARG 117 1HB ARG 117 -2.495 -3.009 -6.424 867 2HB ARG 117 2HB ARG 117 -2.023 -4.455 -5.554 868 1HG ARG 117 1HG ARG 117 -0.231 -3.306 -4.906 869 2HG ARG 117 2HG ARG 117 0.357 -3.495 -6.546 870 1HD ARG 117 1HD ARG 117 -0.912 -1.415 -7.165 871 2HD ARG 117 2HD ARG 117 -1.292 -1.199 -5.468 872 HE ARG 117 HE ARG 117 1.492 -1.521 -5.719 873 1HH1 ARG 117 1HH2 ARG 117 -0.915 0.904 -6.435 874 2HH1 ARG 117 2HH2 ARG 117 0.257 2.202 -6.387 875 1HH2 ARG 117 1HH1 ARG 117 2.943 0.169 -5.718 876 2HH2 ARG 117 2HH1 ARG 117 2.369 1.798 -5.994 877 H CYS 118 H CYS 118 -3.232 -2.652 -7.884 878 HA CYS 118 HA CYS 118 -5.137 -4.141 -9.594 879 1HB CYS 118 1HB CYS 118 -5.545 -2.932 -7.079 880 2HB CYS 118 2HB CYS 118 -6.383 -1.956 -8.269 881 H MET 119 H MET 119 -2.835 -1.793 -9.544 882 HA MET 119 HA MET 119 -4.241 -0.005 -11.418 883 1HB MET 119 1HB MET 119 -2.484 0.434 -9.379 884 2HB MET 119 2HB MET 119 -1.464 0.552 -10.798 885 1HG MET 119 1HG MET 119 -2.184 2.630 -11.059 886 2HG MET 119 2HG MET 119 -3.775 1.985 -11.410 887 1HE MET 119 1HE MET 119 -5.663 3.044 -10.334 888 2HE MET 119 2HE MET 119 -5.580 1.422 -9.562 889 3HE MET 119 3HE MET 119 -5.927 2.877 -8.563 890 H ARG 120 H ARG 120 -2.855 -2.857 -11.746 891 HA ARG 120 HA ARG 120 -2.152 -2.422 -14.519 892 1HB ARG 120 1HB ARG 120 -0.043 -1.844 -13.499 893 2HB ARG 120 2HB ARG 120 -0.056 -3.328 -12.569 894 1HG ARG 120 1HG ARG 120 0.002 -4.617 -14.679 895 2HG ARG 120 2HG ARG 120 0.100 -3.113 -15.570 896 1HD ARG 120 1HD ARG 120 2.118 -3.040 -13.585 897 2HD ARG 120 2HD ARG 120 2.217 -4.606 -14.363 898 HE ARG 120 HE ARG 120 1.986 -2.360 -16.191 899 1HH1 ARG 120 1HH2 ARG 120 4.232 -4.427 -14.441 900 2HH1 ARG 120 2HH2 ARG 120 5.544 -4.095 -15.548 901 1HH2 ARG 120 1HH1 ARG 120 3.673 -1.981 -17.573 902 2HH2 ARG 120 2HH1 ARG 120 5.230 -2.729 -17.297 903 H GLN 121 H GLN 121 -2.061 -4.636 -11.761 904 HA GLN 121 HA GLN 121 -2.645 -6.935 -13.502 905 1HB GLN 121 1HB GLN 121 -1.435 -6.573 -10.887 906 2HB GLN 121 2HB GLN 121 -2.704 -7.780 -10.842 907 1HG GLN 121 1HG GLN 121 -0.477 -7.752 -12.867 908 2HG GLN 121 2HG GLN 121 -0.435 -8.688 -11.386 909 1HE2 GLN 121 2HE2 GLN 121 -0.044 -10.153 -13.504 910 2HE2 GLN 121 1HE2 GLN 121 -1.478 -11.018 -14.011 911 H THR 122 H THR 122 -4.159 -8.435 -11.849 912 HA THR 122 HA THR 122 -6.641 -7.063 -11.209 913 HB THR 122 HB THR 122 -7.832 -8.571 -12.938 914 HG1 THR 122 1HG THR 122 -6.474 -9.046 -14.737 915 1HG2 THR 122 1HG2 THR 122 -7.666 -6.097 -13.147 916 2HG2 THR 122 2HG2 THR 122 -6.051 -6.296 -13.910 917 3HG2 THR 122 3HG2 THR 122 -7.521 -6.907 -14.745 918 H ARG 123 H ARG 123 -8.376 -9.022 -10.902 919 HA ARG 123 HA ARG 123 -7.710 -10.430 -8.637 920 1HB ARG 123 1HB ARG 123 -9.888 -10.304 -10.332 921 2HB ARG 123 2HB ARG 123 -9.451 -12.001 -10.353 922 1HG ARG 123 1HG ARG 123 -9.432 -11.960 -7.855 923 2HG ARG 123 2HG ARG 123 -10.044 -10.320 -7.923 924 1HD ARG 123 1HD ARG 123 -12.106 -11.201 -8.004 925 2HD ARG 123 2HD ARG 123 -11.719 -11.746 -9.624 926 HE ARG 123 HE ARG 123 -10.701 -13.620 -7.747 927 1HH1 ARG 123 1HH2 ARG 123 -13.773 -12.542 -9.061 928 2HH1 ARG 123 2HH2 ARG 123 -14.552 -14.079 -8.761 929 1HH2 ARG 123 1HH1 ARG 123 -11.751 -15.576 -7.375 930 2HH2 ARG 123 2HH1 ARG 123 -13.430 -15.758 -7.827 931 H THR 124 H THR 124 -5.888 -11.585 -8.378 932 HA THR 124 HA THR 124 -5.213 -13.615 -10.436 933 HB THR 124 HB THR 124 -2.810 -13.206 -9.672 934 HG1 THR 124 1HG THR 124 -2.527 -11.092 -8.781 935 1HG2 THR 124 1HG2 THR 124 -3.664 -12.418 -11.870 936 2HG2 THR 124 2HG2 THR 124 -4.268 -10.927 -11.065 937 3HG2 THR 124 3HG2 THR 124 -2.502 -11.254 -11.143 938 H ASN 125 H ASN 125 -3.768 -12.958 -7.303 939 HA ASN 125 HA ASN 125 -3.628 -14.168 -5.390 940 1HB ASN 125 1HB ASN 125 -6.147 -14.329 -5.759 941 2HB ASN 125 2HB ASN 125 -5.837 -15.942 -6.370 942 1HD2 ASN 125 2HD2 ASN 125 -7.185 -16.700 -4.666 943 2HD2 ASN 125 1HD2 ASN 125 -6.550 -16.852 -3.043 Start of MODEL 14 1 1H ALA 1 1H ALA 1 -29.044 -12.395 -18.940 2 2H ALA 1 2H ALA 1 -28.100 -13.665 -18.454 3 3H ALA 1 3H ALA 1 -28.898 -12.748 -17.330 4 HA ALA 1 HA ALA 1 -27.611 -10.847 -17.917 5 1HB ALA 1 1HB ALA 1 -26.915 -12.236 -16.032 6 2HB ALA 1 2HB ALA 1 -26.001 -13.301 -17.157 7 3HB ALA 1 3HB ALA 1 -25.484 -11.596 -16.914 8 H GLU 2 H GLU 2 -27.961 -10.581 -20.209 9 HA GLU 2 HA GLU 2 -26.267 -11.959 -22.074 10 1HB GLU 2 1HB GLU 2 -28.418 -10.097 -22.203 11 2HB GLU 2 2HB GLU 2 -27.094 -9.489 -23.175 12 1HG GLU 2 1HG GLU 2 -28.421 -10.872 -24.605 13 2HG GLU 2 2HG GLU 2 -26.960 -11.767 -24.244 14 H PHE 3 H PHE 3 -26.310 -8.527 -21.101 15 HA PHE 3 HA PHE 3 -23.805 -7.857 -22.192 16 1HB PHE 3 1HB PHE 3 -25.828 -6.517 -21.140 17 2HB PHE 3 2HB PHE 3 -24.810 -6.574 -19.715 18 HD1 PHE 3 1HD PHE 3 -22.214 -5.979 -20.288 19 HD2 PHE 3 2HD PHE 3 -25.677 -4.620 -22.437 20 HE1 PHE 3 1HE PHE 3 -20.913 -4.027 -21.142 21 HE2 PHE 3 2HE PHE 3 -24.379 -2.664 -23.292 22 HZ PHE 3 HZ PHE 3 -22.003 -2.371 -22.636 23 H MET 4 H MET 4 -21.757 -8.162 -21.550 24 HA MET 4 HA MET 4 -21.208 -9.822 -19.273 25 1HB MET 4 1HB MET 4 -19.952 -9.371 -21.599 26 2HB MET 4 2HB MET 4 -19.028 -8.313 -20.552 27 1HG MET 4 1HG MET 4 -18.170 -10.049 -19.329 28 2HG MET 4 2HG MET 4 -19.586 -11.053 -19.563 29 1HE MET 4 1HE MET 4 -16.702 -12.260 -19.712 30 2HE MET 4 2HE MET 4 -18.199 -13.205 -20.032 31 3HE MET 4 3HE MET 4 -16.824 -13.278 -21.189 32 H GLU 5 H GLU 5 -22.536 -7.893 -18.081 33 HA GLU 5 HA GLU 5 -20.453 -6.427 -16.622 34 1HB GLU 5 1HB GLU 5 -22.316 -5.216 -18.356 35 2HB GLU 5 2HB GLU 5 -22.820 -4.845 -16.720 36 1HG GLU 5 1HG GLU 5 -20.532 -4.059 -16.214 37 2HG GLU 5 2HG GLU 5 -20.066 -4.388 -17.870 38 H SER 6 H SER 6 -21.335 -5.513 -14.549 39 HA SER 6 HA SER 6 -23.662 -6.313 -13.313 40 1HB SER 6 1HB SER 6 -22.070 -8.595 -13.776 41 2HB SER 6 2HB SER 6 -21.976 -8.248 -12.061 42 HG SER 6 HG SER 6 -23.763 -9.600 -12.583 43 H LYS 7 H LYS 7 -23.565 -4.564 -12.080 44 HA LYS 7 HA LYS 7 -21.581 -4.542 -9.944 45 1HB LYS 7 1HB LYS 7 -21.436 -2.761 -12.218 46 2HB LYS 7 2HB LYS 7 -21.531 -1.894 -10.698 47 1HG LYS 7 1HG LYS 7 -19.729 -3.739 -9.990 48 2HG LYS 7 2HG LYS 7 -19.403 -3.708 -11.710 49 1HD LYS 7 1HD LYS 7 -19.070 -1.271 -11.600 50 2HD LYS 7 2HD LYS 7 -19.389 -1.308 -9.878 51 1HE LYS 7 1HE LYS 7 -17.327 -2.114 -9.389 52 2HE LYS 7 2HE LYS 7 -17.305 -3.174 -10.782 53 1HZ LYS 7 1HZ LYS 7 -16.828 -1.287 -12.152 54 2HZ LYS 7 2HZ LYS 7 -16.849 -0.284 -10.834 55 3HZ LYS 7 3HZ LYS 7 -15.679 -1.448 -10.970 56 H GLY 8 H GLY 8 -24.341 -5.159 -10.054 57 1HA GLY 8 1HA GLY 8 -26.031 -3.026 -9.337 58 2HA GLY 8 2HA GLY 8 -26.261 -4.704 -8.887 59 H GLU 9 H GLU 9 -25.259 -5.511 -6.968 60 HA GLU 9 HA GLU 9 -24.205 -3.509 -5.108 61 1HB GLU 9 1HB GLU 9 -26.918 -4.349 -5.001 62 2HB GLU 9 2HB GLU 9 -26.078 -5.006 -3.611 63 1HG GLU 9 1HG GLU 9 -25.540 -2.909 -2.775 64 2HG GLU 9 2HG GLU 9 -25.641 -2.144 -4.347 65 H ARG 10 H ARG 10 -22.597 -4.282 -3.942 66 HA ARG 10 HA ARG 10 -22.555 -7.040 -3.059 67 1HB ARG 10 1HB ARG 10 -21.633 -6.798 -5.547 68 2HB ARG 10 2HB ARG 10 -20.178 -6.337 -4.686 69 1HG ARG 10 1HG ARG 10 -20.240 -8.419 -3.413 70 2HG ARG 10 2HG ARG 10 -21.743 -8.872 -4.192 71 1HD ARG 10 1HD ARG 10 -20.657 -9.060 -6.329 72 2HD ARG 10 2HD ARG 10 -19.174 -8.385 -5.689 73 HE ARG 10 HE ARG 10 -19.704 -10.645 -4.140 74 1HH1 ARG 10 1HH2 ARG 10 -19.062 -9.978 -7.515 75 2HH1 ARG 10 2HH2 ARG 10 -18.340 -11.547 -7.797 76 1HH2 ARG 10 1HH1 ARG 10 -18.776 -12.654 -4.525 77 2HH2 ARG 10 2HH1 ARG 10 -18.180 -13.045 -6.123 78 H GLU 11 H GLU 11 -20.604 -7.516 -1.775 79 HA GLU 11 HA GLU 11 -19.986 -5.220 -0.125 80 1HB GLU 11 1HB GLU 11 -19.737 -8.122 0.099 81 2HB GLU 11 2HB GLU 11 -18.424 -7.227 0.836 82 1HG GLU 11 1HG GLU 11 -19.800 -7.035 2.613 83 2HG GLU 11 2HG GLU 11 -20.617 -5.810 1.664 84 H GLY 12 H GLY 12 -18.979 -4.069 -1.982 85 1HA GLY 12 1HA GLY 12 -16.227 -4.960 -2.566 86 2HA GLY 12 2HA GLY 12 -17.135 -3.748 -3.446 87 H SER 13 H SER 13 -16.707 -4.067 0.076 88 HA SER 13 HA SER 13 -15.809 -1.287 0.169 89 1HB SER 13 1HB SER 13 -17.506 -2.387 1.760 90 2HB SER 13 2HB SER 13 -16.103 -3.099 2.530 91 HG SER 13 HG SER 13 -16.715 -1.105 3.496 92 H SER 14 H SER 14 -14.698 -4.383 1.540 93 HA SER 14 HA SER 14 -12.009 -3.996 0.683 94 1HB SER 14 1HB SER 14 -11.068 -3.844 3.012 95 2HB SER 14 2HB SER 14 -11.778 -2.380 2.364 96 HG SER 14 HG SER 14 -12.369 -2.755 4.531 97 H SER 15 H SER 15 -10.520 -5.643 1.757 98 HA SER 15 HA SER 15 -11.661 -8.188 1.367 99 1HB SER 15 1HB SER 15 -9.100 -7.129 1.860 100 2HB SER 15 2HB SER 15 -9.378 -8.361 3.073 101 HG SER 15 HG SER 15 -8.381 -9.185 1.202 102 H GLN 16 H GLN 16 -11.436 -9.956 3.136 103 HA GLN 16 HA GLN 16 -13.439 -9.663 4.980 104 1HB GLN 16 1HB GLN 16 -12.432 -11.811 4.487 105 2HB GLN 16 2HB GLN 16 -10.935 -11.314 5.252 106 1HG GLN 16 1HG GLN 16 -11.825 -11.451 7.389 107 2HG GLN 16 2HG GLN 16 -13.467 -11.198 6.833 108 1HE2 GLN 16 2HE2 GLN 16 -14.599 -12.902 5.799 109 2HE2 GLN 16 1HE2 GLN 16 -14.159 -14.570 6.089 110 H GLN 17 H GLN 17 -9.964 -9.106 5.561 111 HA GLN 17 HA GLN 17 -10.398 -6.882 7.240 112 1HB GLN 17 1HB GLN 17 -11.035 -9.161 8.589 113 2HB GLN 17 2HB GLN 17 -9.346 -8.959 9.009 114 1HG GLN 17 1HG GLN 17 -9.845 -6.595 9.640 115 2HG GLN 17 2HG GLN 17 -11.543 -6.920 9.355 116 1HE2 GLN 17 2HE2 GLN 17 -12.749 -7.733 10.931 117 2HE2 GLN 17 1HE2 GLN 17 -12.138 -8.369 12.442 118 H CYS 18 H CYS 18 -8.774 -7.755 5.008 119 HA CYS 18 HA CYS 18 -6.088 -8.116 6.041 120 1HB CYS 18 1HB CYS 18 -7.414 -8.210 3.501 121 2HB CYS 18 2HB CYS 18 -5.962 -7.233 3.413 122 H ARG 19 H ARG 19 -8.238 -5.469 5.340 123 HA ARG 19 HA ARG 19 -6.722 -3.350 4.686 124 1HB ARG 19 1HB ARG 19 -9.171 -3.677 5.859 125 2HB ARG 19 2HB ARG 19 -8.281 -2.803 7.090 126 1HG ARG 19 1HG ARG 19 -8.029 -0.934 5.777 127 2HG ARG 19 2HG ARG 19 -8.047 -1.853 4.284 128 1HD ARG 19 1HD ARG 19 -10.539 -2.315 4.899 129 2HD ARG 19 2HD ARG 19 -10.359 -0.920 5.944 130 HE ARG 19 HE ARG 19 -10.525 0.417 4.078 131 1HH1 ARG 19 1HH2 ARG 19 -9.313 -2.719 3.063 132 2HH1 ARG 19 2HH2 ARG 19 -9.280 -2.271 1.373 133 1HH2 ARG 19 1HH1 ARG 19 -10.466 0.955 1.911 134 2HH2 ARG 19 2HH1 ARG 19 -9.925 -0.216 0.729 135 H GLN 20 H GLN 20 -6.877 -4.777 7.937 136 HA GLN 20 HA GLN 20 -5.157 -3.067 9.260 137 1HB GLN 20 1HB GLN 20 -4.520 -5.292 10.508 138 2HB GLN 20 2HB GLN 20 -6.099 -4.557 10.699 139 1HG GLN 20 1HG GLN 20 -7.155 -6.210 9.590 140 2HG GLN 20 2HG GLN 20 -5.832 -6.441 8.463 141 1HE2 GLN 20 2HE2 GLN 20 -3.721 -6.995 9.990 142 2HE2 GLN 20 1HE2 GLN 20 -3.967 -8.462 10.910 143 H GLU 21 H GLU 21 -4.000 -6.298 8.335 144 HA GLU 21 HA GLU 21 -1.306 -5.583 8.308 145 1HB GLU 21 1HB GLU 21 -0.955 -7.638 7.005 146 2HB GLU 21 2HB GLU 21 -2.005 -7.886 8.385 147 1HG GLU 21 1HG GLU 21 -3.927 -8.041 7.044 148 2HG GLU 21 2HG GLU 21 -3.136 -7.292 5.671 149 H VAL 22 H VAL 22 -3.715 -5.118 5.864 150 HA VAL 22 HA VAL 22 -2.070 -4.760 3.624 151 HB VAL 22 HB VAL 22 -4.839 -4.037 4.354 152 1HG1 VAL 22 1HG1 VAL 22 -4.067 -2.036 3.220 153 2HG1 VAL 22 2HG1 VAL 22 -3.446 -3.044 1.867 154 3HG1 VAL 22 3HG1 VAL 22 -5.213 -2.960 2.188 155 1HG2 VAL 22 1HG2 VAL 22 -3.638 -5.603 2.059 156 2HG2 VAL 22 2HG2 VAL 22 -4.395 -6.289 3.539 157 3HG2 VAL 22 3HG2 VAL 22 -5.395 -5.369 2.362 158 H GLN 23 H GLN 23 -3.289 -2.573 6.126 159 HA GLN 23 HA GLN 23 -1.947 -0.314 4.980 160 1HB GLN 23 1HB GLN 23 -2.806 0.923 6.832 161 2HB GLN 23 2HB GLN 23 -4.070 -0.097 6.179 162 1HG GLN 23 1HG GLN 23 -4.129 -1.434 8.004 163 2HG GLN 23 2HG GLN 23 -2.446 -1.146 8.402 164 1HE2 GLN 23 2HE2 GLN 23 -5.333 -0.851 9.635 165 2HE2 GLN 23 1HE2 GLN 23 -5.181 0.649 10.521 166 H ARG 24 H ARG 24 -0.180 -2.474 5.433 167 HA ARG 24 HA ARG 24 1.778 -1.119 7.100 168 1HB ARG 24 1HB ARG 24 0.856 -3.916 7.723 169 2HB ARG 24 2HB ARG 24 2.229 -3.112 8.458 170 1HG ARG 24 1HG ARG 24 0.602 -1.324 9.220 171 2HG ARG 24 2HG ARG 24 -0.680 -2.414 8.733 172 1HD ARG 24 1HD ARG 24 1.035 -3.953 10.298 173 2HD ARG 24 2HD ARG 24 0.898 -2.419 11.133 174 HE ARG 24 HE ARG 24 -1.174 -4.427 10.815 175 1HH1 ARG 24 1HH2 ARG 24 -0.564 -1.023 11.380 176 2HH1 ARG 24 2HH2 ARG 24 -2.134 -0.758 12.105 177 1HH2 ARG 24 1HH1 ARG 24 -3.186 -4.051 11.729 178 2HH2 ARG 24 2HH1 ARG 24 -3.600 -2.451 12.301 179 H LYS 25 H LYS 25 0.909 -3.995 5.236 180 HA LYS 25 HA LYS 25 3.663 -4.055 4.182 181 1HB LYS 25 1HB LYS 25 2.739 -6.504 3.595 182 2HB LYS 25 2HB LYS 25 3.669 -6.104 5.025 183 1HG LYS 25 1HG LYS 25 1.552 -5.756 6.251 184 2HG LYS 25 2HG LYS 25 0.679 -6.284 4.827 185 1HD LYS 25 1HD LYS 25 0.829 -8.358 5.589 186 2HD LYS 25 2HD LYS 25 2.558 -8.276 5.319 187 1HE LYS 25 1HE LYS 25 1.216 -7.335 7.844 188 2HE LYS 25 2HE LYS 25 1.906 -8.933 7.648 189 1HZ LYS 25 1HZ LYS 25 4.015 -7.915 7.212 190 2HZ LYS 25 2HZ LYS 25 3.362 -6.405 7.396 191 3HZ LYS 25 3HZ LYS 25 3.438 -7.438 8.688 192 H ASP 26 H ASP 26 0.676 -5.542 3.065 193 HA ASP 26 HA ASP 26 0.919 -5.347 0.392 194 1HB ASP 26 1HB ASP 26 -1.640 -4.383 1.574 195 2HB ASP 26 2HB ASP 26 -1.388 -5.415 0.181 196 H LEU 27 H LEU 27 0.528 -3.825 -1.260 197 HA LEU 27 HA LEU 27 1.512 -1.558 -1.549 198 1HB LEU 27 1HB LEU 27 -1.393 -1.987 -1.996 199 2HB LEU 27 2HB LEU 27 -0.560 -0.547 -2.547 200 HG LEU 27 HG LEU 27 -0.676 -1.955 -4.383 201 1HD1 LEU 27 1HD1 LEU 27 1.485 -0.918 -4.156 202 2HD1 LEU 27 2HD1 LEU 27 2.061 -2.314 -3.182 203 3HD1 LEU 27 3HD1 LEU 27 1.635 -2.541 -4.915 204 1HD2 LEU 27 1HD2 LEU 27 0.324 -4.210 -2.649 205 2HD2 LEU 27 2HD2 LEU 27 -1.342 -4.003 -3.294 206 3HD2 LEU 27 3HD2 LEU 27 0.028 -4.303 -4.420 207 H SER 28 H SER 28 2.265 -0.652 0.373 208 HA SER 28 HA SER 28 0.343 1.119 1.723 209 1HB SER 28 1HB SER 28 1.541 -1.205 3.012 210 2HB SER 28 2HB SER 28 1.799 0.300 3.870 211 HG SER 28 HG SER 28 -0.172 -0.704 4.434 212 H SER 29 H SER 29 2.250 1.673 -0.224 213 HA SER 29 HA SER 29 3.690 3.773 1.020 214 1HB SER 29 1HB SER 29 4.970 1.369 1.405 215 2HB SER 29 2HB SER 29 5.729 1.980 -0.052 216 HG SER 29 HG SER 29 6.783 2.688 1.850 217 H CYS 30 H CYS 30 3.374 1.494 -1.666 218 HA CYS 30 HA CYS 30 4.695 2.913 -3.657 219 1HB CYS 30 1HB CYS 30 2.109 1.437 -4.001 220 2HB CYS 30 2HB CYS 30 3.319 1.750 -5.229 221 H GLU 31 H GLU 31 1.267 3.133 -2.694 222 HA GLU 31 HA GLU 31 0.790 5.408 -4.390 223 1HB GLU 31 1HB GLU 31 -0.765 3.662 -2.765 224 2HB GLU 31 2HB GLU 31 -1.128 5.317 -2.320 225 1HG GLU 31 1HG GLU 31 -2.630 4.887 -4.055 226 2HG GLU 31 2HG GLU 31 -1.320 5.726 -4.859 227 H ARG 32 H ARG 32 1.757 4.896 -1.046 228 HA ARG 32 HA ARG 32 1.336 7.527 -0.106 229 1HB ARG 32 1HB ARG 32 1.881 5.418 1.221 230 2HB ARG 32 2HB ARG 32 3.554 5.733 0.804 231 1HG ARG 32 1HG ARG 32 1.934 7.956 1.956 232 2HG ARG 32 2HG ARG 32 2.508 6.700 3.033 233 1HD ARG 32 1HD ARG 32 4.144 8.555 1.320 234 2HD ARG 32 2HD ARG 32 4.165 8.403 3.065 235 HE ARG 32 HE ARG 32 5.546 6.696 1.127 236 1HH1 ARG 32 1HH2 ARG 32 4.519 7.118 4.446 237 2HH1 ARG 32 2HH2 ARG 32 5.658 5.938 5.052 238 1HH2 ARG 32 1HH1 ARG 32 6.971 5.180 1.935 239 2HH2 ARG 32 2HH1 ARG 32 7.025 4.859 3.655 240 H TYR 33 H TYR 33 4.040 6.026 -1.794 241 HA TYR 33 HA TYR 33 6.023 7.913 -1.535 242 1HB TYR 33 1HB TYR 33 6.261 5.755 -2.623 243 2HB TYR 33 2HB TYR 33 5.157 6.248 -3.891 244 HD1 TYR 33 1HD TYR 33 6.125 6.760 -5.929 245 HD2 TYR 33 2HD TYR 33 8.285 7.551 -2.306 246 HE1 TYR 33 1HE TYR 33 8.061 7.625 -7.277 247 HE2 TYR 33 2HE TYR 33 10.203 8.452 -3.627 248 HH TYR 33 HH TYR 33 11.016 8.813 -5.645 249 H LEU 34 H LEU 34 3.338 7.781 -3.878 250 HA LEU 34 HA LEU 34 4.123 10.256 -5.120 251 1HB LEU 34 1HB LEU 34 2.493 9.842 -6.629 252 2HB LEU 34 2HB LEU 34 2.795 8.220 -6.040 253 HG LEU 34 HG LEU 34 0.838 8.926 -4.388 254 1HD1 LEU 34 1HD1 LEU 34 0.515 11.149 -5.308 255 2HD1 LEU 34 2HD1 LEU 34 0.229 10.439 -6.935 256 3HD1 LEU 34 3HD1 LEU 34 -0.935 10.126 -5.600 257 1HD2 LEU 34 1HD2 LEU 34 0.477 7.816 -7.171 258 2HD2 LEU 34 2HD2 LEU 34 0.904 6.892 -5.689 259 3HD2 LEU 34 3HD2 LEU 34 -0.707 7.675 -5.827 260 H ARG 35 H ARG 35 2.100 9.288 -2.456 261 HA ARG 35 HA ARG 35 0.608 11.703 -2.229 262 1HB ARG 35 1HB ARG 35 0.160 9.404 -1.159 263 2HB ARG 35 2HB ARG 35 1.281 9.932 0.080 264 1HG ARG 35 1HG ARG 35 -0.569 12.047 -0.463 265 2HG ARG 35 2HG ARG 35 -1.465 10.574 -0.153 266 1HD ARG 35 1HD ARG 35 0.786 11.168 1.677 267 2HD ARG 35 2HD ARG 35 -0.627 12.195 1.813 268 HE ARG 35 HE ARG 35 -1.228 9.341 1.780 269 1HH1 ARG 35 1HH2 ARG 35 -0.386 12.056 3.818 270 2HH1 ARG 35 2HH2 ARG 35 -1.084 11.334 5.250 271 1HH2 ARG 35 1HH1 ARG 35 -2.131 8.443 3.617 272 2HH2 ARG 35 2HH1 ARG 35 -2.064 9.306 5.138 273 H GLN 36 H GLN 36 3.592 10.503 -0.717 274 HA GLN 36 HA GLN 36 3.991 12.957 0.732 275 1HB GLN 36 1HB GLN 36 5.037 10.298 0.789 276 2HB GLN 36 2HB GLN 36 6.356 11.449 0.721 277 1HG GLN 36 1HG GLN 36 4.947 12.694 2.560 278 2HG GLN 36 2HG GLN 36 4.259 11.103 2.812 279 1HE2 GLN 36 2HE2 GLN 36 5.396 11.944 4.949 280 2HE2 GLN 36 1HE2 GLN 36 6.986 11.261 5.206 281 H SER 37 H SER 37 6.691 13.380 0.544 282 HA SER 37 HA SER 37 6.827 14.738 -2.033 283 1HB SER 37 1HB SER 37 8.133 14.987 0.579 284 2HB SER 37 2HB SER 37 9.173 15.302 -0.796 285 HG SER 37 HG SER 37 8.073 17.188 -0.079 286 H SER 38 H SER 38 8.859 12.476 -0.152 287 HA SER 38 HA SER 38 9.520 10.961 -2.493 288 1HB SER 38 1HB SER 38 11.341 13.119 -1.650 289 2HB SER 38 2HB SER 38 12.094 11.560 -1.912 290 HG SER 38 HG SER 38 12.034 12.835 -3.814 291 H SER 39 H SER 39 8.961 9.162 -1.376 292 HA SER 39 HA SER 39 9.300 8.483 1.210 293 1HB SER 39 1HB SER 39 9.672 6.748 -1.202 294 2HB SER 39 2HB SER 39 9.684 6.108 0.429 295 HG SER 39 HG SER 39 7.591 6.016 -0.532 296 H ARG 40 H ARG 40 11.029 9.012 2.457 297 HA ARG 40 HA ARG 40 13.463 7.571 2.183 298 1HB ARG 40 1HB ARG 40 13.523 9.581 0.434 299 2HB ARG 40 2HB ARG 40 13.992 10.473 1.867 300 1HG ARG 40 1HG ARG 40 15.331 7.880 1.168 301 2HG ARG 40 2HG ARG 40 15.858 9.383 0.439 302 1HD ARG 40 1HD ARG 40 15.594 9.821 3.235 303 2HD ARG 40 2HD ARG 40 16.511 8.345 3.010 304 HE ARG 40 HE ARG 40 17.400 10.555 1.335 305 1HH1 ARG 40 1HH2 ARG 40 17.761 9.003 4.447 306 2HH1 ARG 40 2HH2 ARG 40 19.358 9.664 4.711 307 1HH2 ARG 40 1HH1 ARG 40 19.449 11.390 1.688 308 2HH2 ARG 40 2HH1 ARG 40 20.306 11.003 3.163 309 H ARG 41 H ARG 41 14.099 7.245 4.166 310 HA ARG 41 HA ARG 41 14.569 9.260 6.065 311 1HB ARG 41 1HB ARG 41 11.926 9.094 5.909 312 2HB ARG 41 2HB ARG 41 12.187 7.726 6.972 313 1HG ARG 41 1HG ARG 41 13.795 9.643 8.097 314 2HG ARG 41 2HG ARG 41 12.438 10.592 7.523 315 1HD ARG 41 1HD ARG 41 11.726 8.090 8.904 316 2HD ARG 41 2HD ARG 41 12.479 9.310 9.911 317 HE ARG 41 HE ARG 41 10.586 10.762 8.618 318 1HH1 ARG 41 1HH2 ARG 41 10.395 7.714 10.319 319 2HH1 ARG 41 2HH2 ARG 41 8.729 7.961 10.792 320 1HH2 ARG 41 1HH1 ARG 41 8.456 11.062 9.235 321 2HH2 ARG 41 2HH1 ARG 41 7.640 9.839 10.184 322 H SER 42 H SER 42 15.771 8.502 7.690 323 HA SER 42 HA SER 42 16.353 5.637 7.631 324 1HB SER 42 1HB SER 42 17.704 7.599 9.433 325 2HB SER 42 2HB SER 42 18.334 6.111 8.757 326 HG SER 42 HG SER 42 19.174 7.980 7.695 327 H THR 43 H THR 43 14.638 4.639 8.580 328 HA THR 43 HA THR 43 13.839 5.476 11.273 329 HB THR 43 HB THR 43 11.948 3.947 10.896 330 HG1 THR 43 1HG THR 43 11.949 2.882 8.894 331 1HG2 THR 43 1HG2 THR 43 11.807 6.209 9.783 332 2HG2 THR 43 2HG2 THR 43 12.572 5.473 8.332 333 3HG2 THR 43 3HG2 THR 43 10.950 4.916 8.873 334 H GLY 44 H GLY 44 12.996 2.509 11.576 335 1HA GLY 44 1HA GLY 44 15.457 1.699 12.940 336 2HA GLY 44 2HA GLY 44 13.859 1.016 13.161 337 H GLU 45 H GLU 45 13.740 -1.003 12.541 338 HA GLU 45 HA GLU 45 15.578 -2.016 10.514 339 1HB GLU 45 1HB GLU 45 15.074 -4.138 11.264 340 2HB GLU 45 2HB GLU 45 14.912 -3.177 12.720 341 1HG GLU 45 1HG GLU 45 12.402 -2.993 11.924 342 2HG GLU 45 2HG GLU 45 12.796 -4.465 11.060 343 H GLU 46 H GLU 46 13.457 -0.102 9.782 344 HA GLU 46 HA GLU 46 11.414 -1.484 8.396 345 1HB GLU 46 1HB GLU 46 11.673 1.039 9.101 346 2HB GLU 46 2HB GLU 46 12.311 1.184 7.476 347 1HG GLU 46 1HG GLU 46 10.232 1.161 6.652 348 2HG GLU 46 2HG GLU 46 9.968 -0.422 7.354 349 H VAL 47 H VAL 47 11.767 0.085 5.885 350 HA VAL 47 HA VAL 47 13.374 -1.907 4.480 351 HB VAL 47 HB VAL 47 11.009 -1.027 3.905 352 1HG1 VAL 47 1HG1 VAL 47 11.560 1.349 3.785 353 2HG1 VAL 47 2HG1 VAL 47 12.750 1.003 2.484 354 3HG1 VAL 47 3HG1 VAL 47 10.997 0.737 2.191 355 1HG2 VAL 47 1HG2 VAL 47 13.163 -1.482 1.832 356 2HG2 VAL 47 2HG2 VAL 47 12.203 -2.747 2.675 357 3HG2 VAL 47 3HG2 VAL 47 11.393 -1.608 1.543 358 H LEU 48 H LEU 48 14.787 -0.140 6.177 359 HA LEU 48 HA LEU 48 16.232 1.499 4.197 360 1HB LEU 48 1HB LEU 48 16.927 2.919 5.969 361 2HB LEU 48 2HB LEU 48 15.184 2.745 6.013 362 HG LEU 48 HG LEU 48 16.728 0.918 7.725 363 1HD1 LEU 48 1HD1 LEU 48 17.986 2.988 8.045 364 2HD1 LEU 48 2HD1 LEU 48 16.451 3.869 8.363 365 3HD1 LEU 48 3HD1 LEU 48 17.013 2.599 9.505 366 1HD2 LEU 48 1HD2 LEU 48 14.234 2.569 8.097 367 2HD2 LEU 48 2HD2 LEU 48 14.311 0.836 7.626 368 3HD2 LEU 48 3HD2 LEU 48 14.869 1.350 9.256 369 H ARG 49 H ARG 49 16.351 -1.463 5.089 370 HA ARG 49 HA ARG 49 19.185 -1.559 5.864 371 1HB ARG 49 1HB ARG 49 16.973 -3.060 6.627 372 2HB ARG 49 2HB ARG 49 17.904 -4.119 5.586 373 1HG ARG 49 1HG ARG 49 19.916 -3.162 7.026 374 2HG ARG 49 2HG ARG 49 18.641 -2.912 8.202 375 1HD ARG 49 1HD ARG 49 18.067 -5.262 8.158 376 2HD ARG 49 2HD ARG 49 19.194 -5.553 6.848 377 HE ARG 49 HE ARG 49 19.815 -5.436 9.653 378 1HH1 ARG 49 1HH2 ARG 49 21.134 -4.658 6.503 379 2HH1 ARG 49 2HH2 ARG 49 22.791 -4.771 7.052 380 1HH2 ARG 49 1HH1 ARG 49 21.954 -5.566 10.332 381 2HH2 ARG 49 2HH1 ARG 49 23.249 -5.278 9.192 382 H MET 50 H MET 50 18.267 -0.726 3.191 383 HA MET 50 HA MET 50 20.057 -2.367 1.662 384 1HB MET 50 1HB MET 50 17.297 -3.101 1.740 385 2HB MET 50 2HB MET 50 17.716 -2.561 0.127 386 1HG MET 50 1HG MET 50 19.481 -4.164 -0.033 387 2HG MET 50 2HG MET 50 19.337 -4.577 1.663 388 1HE MET 50 1HE MET 50 19.339 -6.662 -0.784 389 2HE MET 50 2HE MET 50 19.253 -7.142 0.946 390 3HE MET 50 3HE MET 50 18.062 -7.799 -0.229 391 HA PRO 51 HA PRO 51 19.518 1.866 0.187 392 1HB PRO 51 1HB PRO 51 22.179 2.541 0.149 393 2HB PRO 51 2HB PRO 51 21.080 2.856 1.477 394 1HG PRO 51 1HG PRO 51 23.193 0.816 1.267 395 2HG PRO 51 2HG PRO 51 22.406 1.442 2.702 396 1HD PRO 51 1HD PRO 51 21.896 -1.045 1.406 397 2HD PRO 51 2HD PRO 51 21.038 -0.372 2.778 398 H GLY 52 H GLY 52 19.025 -0.077 -1.476 399 1HA GLY 52 1HA GLY 52 19.060 -0.156 -3.828 400 2HA GLY 52 2HA GLY 52 20.641 0.600 -3.833 401 H ASP 53 H ASP 53 18.924 -2.267 -4.138 402 HA ASP 53 HA ASP 53 21.289 -3.797 -4.690 403 1HB ASP 53 1HB ASP 53 20.757 -3.689 -2.008 404 2HB ASP 53 2HB ASP 53 19.851 -5.109 -2.492 405 H GLU 54 H GLU 54 18.090 -4.444 -3.227 406 HA GLU 54 HA GLU 54 17.452 -6.134 -5.561 407 1HB GLU 54 1HB GLU 54 17.172 -7.678 -3.952 408 2HB GLU 54 2HB GLU 54 17.001 -6.478 -2.688 409 1HG GLU 54 1HG GLU 54 14.712 -6.210 -3.074 410 2HG GLU 54 2HG GLU 54 14.812 -6.866 -4.696 411 H ASN 55 H ASN 55 16.423 -4.901 -6.961 412 HA ASN 55 HA ASN 55 13.773 -4.068 -6.478 413 1HB ASN 55 1HB ASN 55 13.939 -1.688 -6.437 414 2HB ASN 55 2HB ASN 55 14.983 -2.281 -5.162 415 1HD2 ASN 55 2HD2 ASN 55 17.293 -2.804 -5.976 416 2HD2 ASN 55 1HD2 ASN 55 18.040 -1.559 -6.952 417 H GLN 56 H GLN 56 13.037 -2.526 -8.322 418 HA GLN 56 HA GLN 56 13.403 -3.692 -10.754 419 1HB GLN 56 1HB GLN 56 12.014 -1.537 -9.871 420 2HB GLN 56 2HB GLN 56 13.180 -0.781 -10.937 421 1HG GLN 56 1HG GLN 56 11.934 -3.213 -12.016 422 2HG GLN 56 2HG GLN 56 10.827 -1.878 -11.765 423 1HE2 GLN 56 2HE2 GLN 56 12.911 -3.313 -13.898 424 2HE2 GLN 56 1HE2 GLN 56 13.225 -1.962 -14.964 425 H GLN 57 H GLN 57 14.771 -3.652 -12.456 426 HA GLN 57 HA GLN 57 17.463 -2.914 -11.927 427 1HB GLN 57 1HB GLN 57 16.937 -4.764 -13.400 428 2HB GLN 57 2HB GLN 57 16.111 -3.682 -14.503 429 1HG GLN 57 1HG GLN 57 18.621 -2.530 -14.196 430 2HG GLN 57 2HG GLN 57 18.954 -4.250 -14.260 431 1HE2 GLN 57 2HE2 GLN 57 19.356 -1.907 -16.168 432 2HE2 GLN 57 1HE2 GLN 57 18.697 -2.481 -17.684 433 H GLN 58 H GLN 58 16.927 -0.650 -11.272 434 HA GLN 58 HA GLN 58 17.811 1.183 -13.166 435 1HB GLN 58 1HB GLN 58 15.510 0.744 -14.115 436 2HB GLN 58 2HB GLN 58 14.870 1.510 -12.675 437 1HG GLN 58 1HG GLN 58 16.796 3.292 -13.508 438 2HG GLN 58 2HG GLN 58 16.123 2.715 -15.018 439 1HE2 GLN 58 2HE2 GLN 58 15.788 4.865 -12.470 440 2HE2 GLN 58 1HE2 GLN 58 14.141 5.381 -12.756 441 H GLU 59 H GLU 59 18.730 2.736 -12.069 442 HA GLU 59 HA GLU 59 18.813 2.913 -9.338 443 1HB GLU 59 1HB GLU 59 19.181 5.038 -11.415 444 2HB GLU 59 2HB GLU 59 19.441 5.350 -9.711 445 1HG GLU 59 1HG GLU 59 20.776 3.031 -11.060 446 2HG GLU 59 2HG GLU 59 21.467 4.639 -11.157 447 H SER 60 H SER 60 17.168 2.977 -7.965 448 HA SER 60 HA SER 60 15.519 5.251 -7.739 449 1HB SER 60 1HB SER 60 13.350 4.339 -8.310 450 2HB SER 60 2HB SER 60 14.388 4.369 -9.721 451 HG SER 60 HG SER 60 13.236 2.400 -9.522 452 H GLN 61 H GLN 61 16.839 4.584 -5.792 453 HA GLN 61 HA GLN 61 16.078 2.333 -4.251 454 1HB GLN 61 1HB GLN 61 17.068 3.587 -2.349 455 2HB GLN 61 2HB GLN 61 18.115 3.490 -3.751 456 1HG GLN 61 1HG GLN 61 17.788 5.739 -4.305 457 2HG GLN 61 2HG GLN 61 16.312 5.853 -3.369 458 1HE2 GLN 61 2HE2 GLN 61 16.444 5.790 -1.042 459 2HE2 GLN 61 1HE2 GLN 61 17.877 6.395 -0.243 460 H GLN 62 H GLN 62 14.362 5.165 -5.026 461 HA GLN 62 HA GLN 62 12.808 5.405 -2.649 462 1HB GLN 62 1HB GLN 62 12.332 6.347 -5.461 463 2HB GLN 62 2HB GLN 62 11.336 6.788 -4.088 464 1HG GLN 62 1HG GLN 62 14.289 7.336 -4.323 465 2HG GLN 62 2HG GLN 62 13.024 8.511 -4.623 466 1HE2 GLN 62 2HE2 GLN 62 11.948 9.481 -2.992 467 2HE2 GLN 62 1HE2 GLN 62 12.400 9.312 -1.312 468 H LEU 63 H LEU 63 11.865 4.291 -5.914 469 HA LEU 63 HA LEU 63 9.436 3.129 -5.095 470 1HB LEU 63 1HB LEU 63 11.165 3.057 -7.461 471 2HB LEU 63 2HB LEU 63 10.130 1.657 -7.259 472 HG LEU 63 HG LEU 63 8.183 2.963 -7.364 473 1HD1 LEU 63 1HD1 LEU 63 8.874 4.832 -5.965 474 2HD1 LEU 63 2HD1 LEU 63 9.949 5.420 -7.281 475 3HD1 LEU 63 3HD1 LEU 63 8.165 5.419 -7.509 476 1HD2 LEU 63 1HD2 LEU 63 10.119 3.997 -9.448 477 2HD2 LEU 63 2HD2 LEU 63 9.161 2.480 -9.542 478 3HD2 LEU 63 3HD2 LEU 63 8.326 4.072 -9.555 479 H GLN 64 H GLN 64 12.737 1.997 -4.898 480 HA GLN 64 HA GLN 64 12.391 -0.732 -4.644 481 1HB GLN 64 1HB GLN 64 14.588 0.022 -4.634 482 2HB GLN 64 2HB GLN 64 14.276 1.198 -3.374 483 1HG GLN 64 1HG GLN 64 14.477 -0.336 -1.699 484 2HG GLN 64 2HG GLN 64 13.841 -1.643 -2.677 485 1HE2 GLN 64 2HE2 GLN 64 15.707 -2.634 -1.408 486 2HE2 GLN 64 1HE2 GLN 64 17.252 -2.656 -2.229 487 H GLN 65 H GLN 65 11.551 1.833 -2.397 488 HA GLN 65 HA GLN 65 11.113 0.135 -0.152 489 1HB GLN 65 1HB GLN 65 9.989 2.849 -0.797 490 2HB GLN 65 2HB GLN 65 9.916 2.065 0.769 491 1HG GLN 65 1HG GLN 65 12.545 1.903 0.376 492 2HG GLN 65 2HG GLN 65 12.226 3.312 -0.615 493 1HE2 GLN 65 2HE2 GLN 65 13.858 3.763 1.396 494 2HE2 GLN 65 1HE2 GLN 65 13.068 4.620 2.700 495 H CYS 66 H CYS 66 9.171 1.079 -2.914 496 HA CYS 66 HA CYS 66 6.703 0.074 -1.875 497 1HB CYS 66 1HB CYS 66 6.374 1.627 -3.535 498 2HB CYS 66 2HB CYS 66 7.682 1.002 -4.518 499 H CYS 67 H CYS 67 9.123 -1.168 -4.216 500 HA CYS 67 HA CYS 67 7.866 -3.630 -4.673 501 1HB CYS 67 1HB CYS 67 9.958 -2.523 -5.765 502 2HB CYS 67 2HB CYS 67 10.828 -3.438 -4.550 503 H ASN 68 H ASN 68 10.398 -2.752 -2.317 504 HA ASN 68 HA ASN 68 10.474 -5.256 -1.003 505 1HB ASN 68 1HB ASN 68 11.230 -2.472 -0.282 506 2HB ASN 68 2HB ASN 68 11.204 -3.698 0.968 507 1HD2 ASN 68 2HD2 ASN 68 12.291 -3.289 -2.379 508 2HD2 ASN 68 1HD2 ASN 68 13.847 -4.058 -2.166 509 H GLN 69 H GLN 69 8.220 -2.633 -0.924 510 HA GLN 69 HA GLN 69 7.028 -3.359 1.598 511 1HB GLN 69 1HB GLN 69 6.528 -1.340 -0.497 512 2HB GLN 69 2HB GLN 69 5.171 -1.807 0.506 513 1HG GLN 69 1HG GLN 69 7.759 -1.185 1.844 514 2HG GLN 69 2HG GLN 69 6.801 0.151 1.237 515 1HE2 GLN 69 2HE2 GLN 69 4.291 -0.469 1.642 516 2HE2 GLN 69 1HE2 GLN 69 3.946 -0.723 3.338 517 H VAL 70 H VAL 70 6.145 -3.701 -1.831 518 HA VAL 70 HA VAL 70 3.735 -5.142 -1.325 519 HB VAL 70 HB VAL 70 5.405 -5.174 -3.816 520 1HG1 VAL 70 1HG1 VAL 70 3.581 -6.798 -3.746 521 2HG1 VAL 70 2HG1 VAL 70 2.434 -5.477 -3.328 522 3HG1 VAL 70 3HG1 VAL 70 3.241 -5.491 -4.934 523 1HG2 VAL 70 1HG2 VAL 70 3.316 -3.142 -2.969 524 2HG2 VAL 70 2HG2 VAL 70 5.081 -2.840 -3.114 525 3HG2 VAL 70 3HG2 VAL 70 4.111 -3.220 -4.579 526 H LYS 71 H LYS 71 7.091 -5.957 -1.309 527 HA LYS 71 HA LYS 71 6.786 -8.743 -1.829 528 1HB LYS 71 1HB LYS 71 8.889 -7.025 -1.662 529 2HB LYS 71 2HB LYS 71 9.052 -7.940 -0.176 530 1HG LYS 71 1HG LYS 71 8.444 -9.534 -2.589 531 2HG LYS 71 2HG LYS 71 10.027 -8.782 -2.563 532 1HD LYS 71 1HD LYS 71 10.772 -10.108 -0.872 533 2HD LYS 71 2HD LYS 71 9.221 -10.116 -0.059 534 1HE LYS 71 1HE LYS 71 8.520 -11.578 -2.149 535 2HE LYS 71 2HE LYS 71 10.239 -11.913 -2.205 536 1HZ LYS 71 1HZ LYS 71 10.126 -12.626 0.065 537 2HZ LYS 71 2HZ LYS 71 8.501 -12.310 0.118 538 3HZ LYS 71 3HZ LYS 71 9.080 -13.506 -0.871 539 H GLN 72 H GLN 72 5.886 -6.768 0.757 540 HA GLN 72 HA GLN 72 5.932 -9.005 2.657 541 1HB GLN 72 1HB GLN 72 5.460 -6.064 2.991 542 2HB GLN 72 2HB GLN 72 5.221 -7.225 4.280 543 1HG GLN 72 1HG GLN 72 7.793 -7.555 2.970 544 2HG GLN 72 2HG GLN 72 7.599 -5.953 3.654 545 1HE2 GLN 72 2HE2 GLN 72 7.328 -9.417 4.369 546 2HE2 GLN 72 1HE2 GLN 72 7.673 -9.293 6.079 547 H VAL 73 H VAL 73 3.984 -7.973 0.261 548 HA VAL 73 HA VAL 73 1.446 -7.994 1.576 549 HB VAL 73 HB VAL 73 2.119 -6.961 -0.652 550 1HG1 VAL 73 1HG1 VAL 73 3.078 -8.940 -1.709 551 2HG1 VAL 73 2HG1 VAL 73 1.484 -9.764 -1.600 552 3HG1 VAL 73 3HG1 VAL 73 1.678 -8.318 -2.650 553 1HG2 VAL 73 1HG2 VAL 73 -0.443 -8.545 -0.426 554 2HG2 VAL 73 2HG2 VAL 73 -0.145 -6.895 0.222 555 3HG2 VAL 73 3HG2 VAL 73 -0.152 -7.176 -1.554 556 H ARG 74 H ARG 74 -0.259 -9.583 1.122 557 HA ARG 74 HA ARG 74 0.670 -12.203 1.845 558 1HB ARG 74 1HB ARG 74 -2.090 -11.335 1.026 559 2HB ARG 74 2HB ARG 74 -1.671 -12.816 1.864 560 1HG ARG 74 1HG ARG 74 -1.290 -10.025 2.931 561 2HG ARG 74 2HG ARG 74 -2.543 -11.146 3.423 562 1HD ARG 74 1HD ARG 74 -0.079 -12.518 3.673 563 2HD ARG 74 2HD ARG 74 0.151 -10.938 4.392 564 HE ARG 74 HE ARG 74 -2.218 -11.693 5.473 565 1HH1 ARG 74 1HH2 ARG 74 0.816 -13.384 5.208 566 2HH1 ARG 74 2HH2 ARG 74 0.567 -14.282 6.687 567 1HH2 ARG 74 1HH1 ARG 74 -2.519 -12.830 7.378 568 2HH2 ARG 74 2HH1 ARG 74 -1.304 -13.973 7.905 569 H ASP 75 H ASP 75 -1.497 -11.259 -0.800 570 HA ASP 75 HA ASP 75 -0.183 -12.050 -3.031 571 1HB ASP 75 1HB ASP 75 -0.806 -14.408 -1.386 572 2HB ASP 75 2HB ASP 75 -1.368 -14.513 -3.042 573 H GLU 76 H GLU 76 -3.116 -12.671 -1.156 574 HA GLU 76 HA GLU 76 -4.718 -12.204 -3.595 575 1HB GLU 76 1HB GLU 76 -6.535 -13.319 -2.482 576 2HB GLU 76 2HB GLU 76 -5.113 -14.342 -2.434 577 1HG GLU 76 1HG GLU 76 -5.228 -12.603 -0.122 578 2HG GLU 76 2HG GLU 76 -6.681 -13.573 -0.260 579 H CYS 77 H CYS 77 -3.470 -10.590 -1.032 580 HA CYS 77 HA CYS 77 -5.784 -8.763 -0.860 581 1HB CYS 77 1HB CYS 77 -3.615 -9.396 1.091 582 2HB CYS 77 2HB CYS 77 -4.609 -7.960 1.224 583 H GLN 78 H GLN 78 -2.946 -9.246 -2.440 584 HA GLN 78 HA GLN 78 -1.575 -6.810 -2.201 585 1HB GLN 78 1HB GLN 78 -0.488 -7.410 -4.232 586 2HB GLN 78 2HB GLN 78 -0.761 -8.887 -3.329 587 1HG GLN 78 1HG GLN 78 -2.776 -9.319 -4.703 588 2HG GLN 78 2HG GLN 78 -2.420 -7.882 -5.639 589 1HE2 GLN 78 2HE2 GLN 78 -1.142 -11.000 -4.622 590 2HE2 GLN 78 1HE2 GLN 78 -0.115 -11.256 -6.014 591 H CYS 79 H CYS 79 -4.259 -7.790 -4.322 592 HA CYS 79 HA CYS 79 -4.331 -5.269 -5.679 593 1HB CYS 79 1HB CYS 79 -5.415 -6.587 -7.083 594 2HB CYS 79 2HB CYS 79 -5.677 -7.800 -5.846 595 H GLU 80 H GLU 80 -6.577 -6.891 -3.410 596 HA GLU 80 HA GLU 80 -8.307 -4.824 -2.930 597 1HB GLU 80 1HB GLU 80 -8.410 -7.129 -1.957 598 2HB GLU 80 2HB GLU 80 -7.199 -6.631 -0.791 599 1HG GLU 80 1HG GLU 80 -8.812 -5.765 0.501 600 2HG GLU 80 2HG GLU 80 -9.241 -4.659 -0.790 601 H ALA 81 H ALA 81 -4.966 -5.083 -1.930 602 HA ALA 81 HA ALA 81 -4.897 -3.091 0.032 603 1HB ALA 81 1HB ALA 81 -3.081 -4.654 -0.360 604 2HB ALA 81 2HB ALA 81 -2.813 -3.934 -1.986 605 3HB ALA 81 3HB ALA 81 -2.504 -2.957 -0.509 606 H ILE 82 H ILE 82 -4.305 -2.812 -3.486 607 HA ILE 82 HA ILE 82 -3.976 -0.042 -3.544 608 HB ILE 82 HB ILE 82 -4.962 -1.993 -5.572 609 1HG1 ILE 82 1HG1 ILE 82 -2.624 -2.186 -4.810 610 2HG1 ILE 82 2HG1 ILE 82 -2.759 -1.795 -6.513 611 1HG2 ILE 82 1HG2 ILE 82 -5.944 0.162 -6.137 612 2HG2 ILE 82 2HG2 ILE 82 -4.326 0.935 -5.998 613 3HG2 ILE 82 3HG2 ILE 82 -4.638 -0.269 -7.296 614 1HD1 ILE 82 1HD1 ILE 82 -2.331 0.594 -6.022 615 2HD1 ILE 82 2HD1 ILE 82 -2.194 0.194 -4.275 616 3HD1 ILE 82 3HD1 ILE 82 -0.985 -0.445 -5.442 617 H LYS 83 H LYS 83 -6.898 -2.012 -3.467 618 HA LYS 83 HA LYS 83 -8.674 0.162 -3.985 619 1HB LYS 83 1HB LYS 83 -8.867 -2.654 -3.325 620 2HB LYS 83 2HB LYS 83 -10.131 -1.701 -2.574 621 1HG LYS 83 1HG LYS 83 -10.782 -2.513 -4.827 622 2HG LYS 83 2HG LYS 83 -10.758 -0.763 -4.734 623 1HD LYS 83 1HD LYS 83 -8.246 -1.155 -5.566 624 2HD LYS 83 2HD LYS 83 -8.974 -2.600 -6.237 625 1HE LYS 83 1HE LYS 83 -10.698 -0.401 -6.778 626 2HE LYS 83 2HE LYS 83 -9.073 0.044 -7.259 627 1HZ LYS 83 1HZ LYS 83 -8.948 -1.970 -8.523 628 2HZ LYS 83 2HZ LYS 83 -10.484 -2.390 -8.068 629 3HZ LYS 83 3HZ LYS 83 -10.237 -1.056 -9.017 630 H TYR 84 H TYR 84 -6.676 -0.470 -1.421 631 HA TYR 84 HA TYR 84 -8.344 0.961 0.535 632 1HB TYR 84 1HB TYR 84 -7.619 -0.800 1.715 633 2HB TYR 84 2HB TYR 84 -6.355 -1.162 0.555 634 HD1 TYR 84 1HD TYR 84 -4.094 -0.693 1.015 635 HD2 TYR 84 2HD TYR 84 -7.201 1.134 3.372 636 HE1 TYR 84 1HE TYR 84 -2.358 0.166 2.616 637 HE2 TYR 84 2HE TYR 84 -5.471 2.012 4.966 638 HH TYR 84 HH TYR 84 -3.310 2.206 5.361 639 H ILE 85 H ILE 85 -4.886 0.715 -0.298 640 HA ILE 85 HA ILE 85 -4.196 3.179 0.853 641 HB ILE 85 HB ILE 85 -2.633 1.356 0.450 642 1HG1 ILE 85 1HG1 ILE 85 -0.748 2.698 -0.096 643 2HG1 ILE 85 2HG1 ILE 85 -1.745 3.835 -0.982 644 1HG2 ILE 85 1HG2 ILE 85 -3.412 0.577 -1.718 645 2HG2 ILE 85 2HG2 ILE 85 -2.867 2.117 -2.469 646 3HG2 ILE 85 3HG2 ILE 85 -1.660 0.979 -1.777 647 1HD1 ILE 85 1HD1 ILE 85 -2.911 4.475 1.101 648 2HD1 ILE 85 2HD1 ILE 85 -1.889 3.308 2.012 649 3HD1 ILE 85 3HD1 ILE 85 -1.138 4.744 1.231 650 H ALA 86 H ALA 86 -4.665 2.256 -2.566 651 HA ALA 86 HA ALA 86 -4.571 4.985 -3.444 652 1HB ALA 86 1HB ALA 86 -3.782 3.156 -4.859 653 2HB ALA 86 2HB ALA 86 -5.431 2.442 -4.845 654 3HB ALA 86 3HB ALA 86 -5.146 4.030 -5.637 655 H GLU 87 H GLU 87 -6.300 5.133 -1.476 656 HA GLU 87 HA GLU 87 -8.670 6.055 -2.703 657 1HB GLU 87 1HB GLU 87 -8.905 3.445 -2.585 658 2HB GLU 87 2HB GLU 87 -9.266 3.763 -0.901 659 1HG GLU 87 1HG GLU 87 -10.881 5.580 -1.919 660 2HG GLU 87 2HG GLU 87 -10.790 4.560 -3.340 661 H ASP 88 H ASP 88 -7.524 4.618 0.368 662 HA ASP 88 HA ASP 88 -8.955 6.313 2.097 663 1HB ASP 88 1HB ASP 88 -7.896 4.361 2.983 664 2HB ASP 88 2HB ASP 88 -6.328 4.879 2.395 665 H GLN 89 H GLN 89 -5.596 6.507 0.884 666 HA GLN 89 HA GLN 89 -5.075 9.049 2.053 667 1HB GLN 89 1HB GLN 89 -3.137 9.079 0.506 668 2HB GLN 89 2HB GLN 89 -3.250 7.606 1.449 669 1HG GLN 89 1HG GLN 89 -3.181 6.443 -0.443 670 2HG GLN 89 2HG GLN 89 -4.728 7.140 -0.883 671 1HE2 GLN 89 2HE2 GLN 89 -1.256 7.721 -0.929 672 2HE2 GLN 89 1HE2 GLN 89 -1.228 8.634 -2.421 673 H ILE 90 H ILE 90 -6.710 8.047 -0.850 674 HA ILE 90 HA ILE 90 -6.467 10.505 -2.248 675 HB ILE 90 HB ILE 90 -8.468 8.296 -2.469 676 1HG1 ILE 90 1HG1 ILE 90 -5.961 8.859 -4.032 677 2HG1 ILE 90 2HG1 ILE 90 -6.197 7.552 -2.888 678 1HG2 ILE 90 1HG2 ILE 90 -9.390 10.347 -3.391 679 2HG2 ILE 90 2HG2 ILE 90 -7.895 10.581 -4.364 680 3HG2 ILE 90 3HG2 ILE 90 -8.978 9.186 -4.702 681 1HD1 ILE 90 1HD1 ILE 90 -7.989 6.605 -4.301 682 2HD1 ILE 90 2HD1 ILE 90 -7.748 7.945 -5.476 683 3HD1 ILE 90 3HD1 ILE 90 -6.440 6.740 -5.206 684 H GLN 91 H GLN 91 -8.943 9.142 -0.097 685 HA GLN 91 HA GLN 91 -10.600 11.487 -0.251 686 1HB GLN 91 1HB GLN 91 -10.680 9.322 1.832 687 2HB GLN 91 2HB GLN 91 -11.974 10.415 1.385 688 1HG GLN 91 1HG GLN 91 -10.818 8.714 -0.757 689 2HG GLN 91 2HG GLN 91 -11.836 7.930 0.435 690 1HE2 GLN 91 2HE2 GLN 91 -13.992 8.133 0.361 691 2HE2 GLN 91 1HE2 GLN 91 -14.855 9.132 -0.789 692 H GLN 92 H GLN 92 -8.098 10.248 1.908 693 HA GLN 92 HA GLN 92 -8.488 12.271 3.894 694 1HB GLN 92 1HB GLN 92 -7.134 9.882 3.789 695 2HB GLN 92 2HB GLN 92 -5.845 11.070 3.812 696 1HG GLN 92 1HG GLN 92 -6.196 11.504 5.979 697 2HG GLN 92 2HG GLN 92 -7.902 11.787 5.695 698 1HE2 GLN 92 2HE2 GLN 92 -9.167 10.590 6.902 699 2HE2 GLN 92 1HE2 GLN 92 -8.858 8.943 7.402 700 H GLY 93 H GLY 93 -5.993 11.718 1.427 701 1HA GLY 93 1HA GLY 93 -4.611 14.145 1.785 702 2HA GLY 93 2HA GLY 93 -4.569 13.124 0.362 703 H GLN 94 H GLN 94 -4.338 15.438 -0.488 704 HA GLN 94 HA GLN 94 -6.886 16.838 -0.746 705 1HB GLN 94 1HB GLN 94 -4.253 17.654 -0.730 706 2HB GLN 94 2HB GLN 94 -4.741 17.834 -2.403 707 1HG GLN 94 1HG GLN 94 -6.474 19.324 -1.863 708 2HG GLN 94 2HG GLN 94 -6.487 18.837 -0.179 709 1HE2 GLN 94 2HE2 GLN 94 -6.126 21.471 -1.667 710 2HE2 GLN 94 1HE2 GLN 94 -4.694 22.173 -0.947 711 H LEU 95 H LEU 95 -6.437 14.112 -1.884 712 HA LEU 95 HA LEU 95 -6.637 14.637 -4.752 713 1HB LEU 95 1HB LEU 95 -6.831 11.959 -3.484 714 2HB LEU 95 2HB LEU 95 -6.266 12.387 -5.087 715 HG LEU 95 HG LEU 95 -4.355 11.743 -3.973 716 1HD1 LEU 95 1HD1 LEU 95 -3.999 13.864 -5.136 717 2HD1 LEU 95 2HD1 LEU 95 -4.473 14.760 -3.651 718 3HD1 LEU 95 3HD1 LEU 95 -2.972 13.770 -3.662 719 1HD2 LEU 95 1HD2 LEU 95 -5.244 13.353 -1.581 720 2HD2 LEU 95 2HD2 LEU 95 -5.260 11.562 -1.735 721 3HD2 LEU 95 3HD2 LEU 95 -3.697 12.450 -1.722 722 H HIS 96 H HIS 96 -8.651 14.782 -2.168 723 HA HIS 96 HA HIS 96 -10.944 13.546 -3.431 724 1HB HIS 96 1HB HIS 96 -12.126 14.397 -1.438 725 2HB HIS 96 2HB HIS 96 -10.790 13.315 -1.098 726 HD1 HIS 96 1HD HIS 96 -11.338 14.676 1.344 727 HD2 HIS 96 2HD HIS 96 -9.257 16.629 -1.746 728 HE1 HIS 96 1HE HIS 96 -10.059 16.598 2.452 729 HE2 HIS 96 2HE HIS 96 -8.799 17.788 0.550 730 H GLY 97 H GLY 97 -13.028 14.983 -3.273 731 1HA GLY 97 1HA GLY 97 -14.122 16.947 -3.887 732 2HA GLY 97 2HA GLY 97 -12.577 17.732 -4.147 733 H GLU 98 H GLU 98 -11.272 16.774 -6.028 734 HA GLU 98 HA GLU 98 -12.651 15.497 -8.157 735 1HB GLU 98 1HB GLU 98 -13.776 17.756 -8.166 736 2HB GLU 98 2HB GLU 98 -12.230 18.426 -8.647 737 1HG GLU 98 1HG GLU 98 -12.216 17.154 -10.671 738 2HG GLU 98 2HG GLU 98 -13.586 16.194 -10.149 739 H GLU 99 H GLU 99 -10.202 15.280 -6.755 740 HA GLU 99 HA GLU 99 -8.346 15.529 -9.007 741 1HB GLU 99 1HB GLU 99 -6.607 16.169 -7.131 742 2HB GLU 99 2HB GLU 99 -7.503 17.382 -8.022 743 1HG GLU 99 1HG GLU 99 -9.199 17.380 -6.189 744 2HG GLU 99 2HG GLU 99 -8.145 16.311 -5.282 745 H SER 100 H SER 100 -9.858 13.363 -7.824 746 HA SER 100 HA SER 100 -7.816 11.805 -6.385 747 1HB SER 100 1HB SER 100 -9.802 10.082 -6.481 748 2HB SER 100 2HB SER 100 -9.817 11.396 -5.321 749 HG SER 100 HG SER 100 -11.813 11.178 -6.423 750 H GLU 101 H GLU 101 -9.444 12.103 -9.447 751 HA GLU 101 HA GLU 101 -8.547 9.550 -10.457 752 1HB GLU 101 1HB GLU 101 -10.569 10.941 -11.237 753 2HB GLU 101 2HB GLU 101 -9.396 11.873 -12.146 754 1HG GLU 101 1HG GLU 101 -9.860 10.299 -13.742 755 2HG GLU 101 2HG GLU 101 -8.622 9.413 -12.874 756 H ARG 102 H ARG 102 -7.315 12.828 -10.304 757 HA ARG 102 HA ARG 102 -5.308 12.522 -12.315 758 1HB ARG 102 1HB ARG 102 -4.374 14.559 -11.414 759 2HB ARG 102 2HB ARG 102 -6.116 14.708 -11.512 760 1HG ARG 102 1HG ARG 102 -6.384 14.701 -9.245 761 2HG ARG 102 2HG ARG 102 -4.975 13.696 -8.974 762 1HD ARG 102 1HD ARG 102 -3.699 15.828 -9.830 763 2HD ARG 102 2HD ARG 102 -5.158 16.642 -9.304 764 HE ARG 102 HE ARG 102 -4.543 15.089 -7.147 765 1HH1 ARG 102 1HH2 ARG 102 -2.578 17.266 -9.059 766 2HH1 ARG 102 2HH2 ARG 102 -1.551 17.694 -7.709 767 1HH2 ARG 102 1HH1 ARG 102 -3.230 15.678 -5.420 768 2HH2 ARG 102 2HH1 ARG 102 -1.916 16.805 -5.673 769 H VAL 103 H VAL 103 -5.609 11.541 -9.006 770 HA VAL 103 HA VAL 103 -2.762 11.169 -8.610 771 HB VAL 103 HB VAL 103 -5.236 10.740 -7.032 772 1HG1 VAL 103 1HG1 VAL 103 -4.025 8.631 -6.720 773 2HG1 VAL 103 2HG1 VAL 103 -2.543 9.558 -6.302 774 3HG1 VAL 103 3HG1 VAL 103 -3.983 9.634 -5.229 775 1HG2 VAL 103 1HG2 VAL 103 -2.586 12.110 -6.487 776 2HG2 VAL 103 2HG2 VAL 103 -4.117 12.914 -6.981 777 3HG2 VAL 103 3HG2 VAL 103 -4.004 12.103 -5.381 778 H ALA 104 H ALA 104 -5.485 9.365 -9.801 779 HA ALA 104 HA ALA 104 -4.731 6.749 -9.408 780 1HB ALA 104 1HB ALA 104 -6.832 7.434 -10.466 781 2HB ALA 104 2HB ALA 104 -5.914 8.001 -11.905 782 3HB ALA 104 3HB ALA 104 -5.952 6.251 -11.495 783 H GLN 105 H GLN 105 -3.914 8.676 -12.306 784 HA GLN 105 HA GLN 105 -2.086 6.948 -13.442 785 1HB GLN 105 1HB GLN 105 -0.988 9.059 -14.337 786 2HB GLN 105 2HB GLN 105 -2.686 8.831 -14.701 787 1HG GLN 105 1HG GLN 105 -2.599 10.202 -12.255 788 2HG GLN 105 2HG GLN 105 -1.412 10.978 -13.285 789 1HE2 GLN 105 2HE2 GLN 105 -2.337 12.813 -13.898 790 2HE2 GLN 105 1HE2 GLN 105 -3.888 12.936 -14.697 791 H ARG 106 H ARG 106 -1.507 9.367 -10.902 792 HA ARG 106 HA ARG 106 1.241 9.166 -10.660 793 1HB ARG 106 1HB ARG 106 -0.909 10.140 -9.091 794 2HB ARG 106 2HB ARG 106 0.185 9.244 -8.055 795 1HG ARG 106 1HG ARG 106 1.886 10.726 -8.343 796 2HG ARG 106 2HG ARG 106 1.417 11.106 -9.987 797 1HD ARG 106 1HD ARG 106 -0.421 11.955 -7.811 798 2HD ARG 106 2HD ARG 106 1.079 12.842 -7.990 799 HE ARG 106 HE ARG 106 -0.421 12.480 -10.464 800 1HH1 ARG 106 1HH2 ARG 106 0.073 14.534 -7.677 801 2HH1 ARG 106 2HH2 ARG 106 -0.543 15.957 -8.487 802 1HH2 ARG 106 1HH1 ARG 106 -1.190 14.322 -11.486 803 2HH2 ARG 106 2HH1 ARG 106 -1.249 15.838 -10.616 804 H ALA 107 H ALA 107 -1.180 7.243 -8.872 805 HA ALA 107 HA ALA 107 0.608 5.540 -7.582 806 1HB ALA 107 1HB ALA 107 -1.764 5.729 -7.035 807 2HB ALA 107 2HB ALA 107 -2.180 4.984 -8.618 808 3HB ALA 107 3HB ALA 107 -1.314 4.021 -7.371 809 H GLY 108 H GLY 108 -1.042 5.126 -10.722 810 1HA GLY 108 1HA GLY 108 -0.101 2.675 -11.509 811 2HA GLY 108 2HA GLY 108 -0.353 4.020 -12.602 812 H GLU 109 H GLU 109 1.681 5.710 -11.377 813 HA GLU 109 HA GLU 109 3.904 5.060 -12.899 814 1HB GLU 109 1HB GLU 109 3.897 6.638 -10.341 815 2HB GLU 109 2HB GLU 109 5.114 6.703 -11.600 816 1HG GLU 109 1HG GLU 109 3.305 7.445 -13.181 817 2HG GLU 109 2HG GLU 109 2.241 7.581 -11.796 818 H ILE 110 H ILE 110 3.400 4.496 -9.409 819 HA ILE 110 HA ILE 110 5.863 3.032 -9.166 820 HB ILE 110 HB ILE 110 3.514 3.264 -7.315 821 1HG1 ILE 110 1HG1 ILE 110 4.253 5.398 -7.225 822 2HG1 ILE 110 2HG1 ILE 110 5.445 4.707 -6.143 823 1HG2 ILE 110 1HG2 ILE 110 4.815 1.259 -6.834 824 2HG2 ILE 110 2HG2 ILE 110 6.318 2.244 -6.807 825 3HG2 ILE 110 3HG2 ILE 110 5.055 2.498 -5.553 826 1HD1 ILE 110 1HD1 ILE 110 7.035 4.466 -8.010 827 2HD1 ILE 110 2HD1 ILE 110 5.811 5.175 -9.122 828 3HD1 ILE 110 3HD1 ILE 110 6.514 6.174 -7.803 829 H VAL 111 H VAL 111 2.532 2.297 -9.860 830 HA VAL 111 HA VAL 111 2.538 -0.452 -9.390 831 HB VAL 111 HB VAL 111 1.105 1.122 -11.488 832 1HG1 VAL 111 1HG1 VAL 111 1.089 -1.238 -12.067 833 2HG1 VAL 111 2HG1 VAL 111 0.507 -1.637 -10.414 834 3HG1 VAL 111 3HG1 VAL 111 -0.540 -0.695 -11.533 835 1HG2 VAL 111 1HG2 VAL 111 0.259 0.289 -8.705 836 2HG2 VAL 111 2HG2 VAL 111 0.663 1.956 -9.246 837 3HG2 VAL 111 3HG2 VAL 111 -0.783 1.120 -9.911 838 H SER 112 H SER 112 3.455 1.371 -12.310 839 HA SER 112 HA SER 112 4.156 -0.858 -13.873 840 1HB SER 112 1HB SER 112 5.155 0.656 -15.336 841 2HB SER 112 2HB SER 112 3.892 1.592 -14.560 842 HG SER 112 HG SER 112 5.868 2.721 -14.686 843 H SER 113 H SER 113 5.805 0.756 -11.256 844 HA SER 113 HA SER 113 8.388 -0.354 -11.827 845 1HB SER 113 1HB SER 113 8.169 1.704 -10.557 846 2HB SER 113 2HB SER 113 7.284 0.850 -9.308 847 HG SER 113 HG SER 113 9.524 1.071 -8.801 848 H CYS 114 H CYS 114 6.506 -0.816 -8.850 849 HA CYS 114 HA CYS 114 6.542 -3.705 -9.187 850 1HB CYS 114 1HB CYS 114 8.743 -3.015 -8.179 851 2HB CYS 114 2HB CYS 114 7.825 -2.521 -6.770 852 H GLY 115 H GLY 115 4.450 -1.894 -9.264 853 1HA GLY 115 1HA GLY 115 3.032 -2.548 -6.740 854 2HA GLY 115 2HA GLY 115 2.897 -0.968 -7.485 855 H VAL 116 H VAL 116 3.214 -3.768 -9.513 856 HA VAL 116 HA VAL 116 0.704 -3.263 -10.775 857 HB VAL 116 HB VAL 116 2.980 -5.050 -11.172 858 1HG1 VAL 116 1HG1 VAL 116 1.180 -6.701 -11.127 859 2HG1 VAL 116 2HG1 VAL 116 0.254 -5.709 -12.306 860 3HG1 VAL 116 3HG1 VAL 116 1.809 -6.468 -12.795 861 1HG2 VAL 116 1HG2 VAL 116 1.192 -3.466 -13.045 862 2HG2 VAL 116 2HG2 VAL 116 2.774 -2.928 -12.384 863 3HG2 VAL 116 3HG2 VAL 116 2.701 -4.324 -13.515 864 H ARG 117 H ARG 117 -1.080 -3.546 -9.571 865 HA ARG 117 HA ARG 117 -1.627 -6.305 -8.731 866 1HB ARG 117 1HB ARG 117 -1.698 -3.921 -6.912 867 2HB ARG 117 2HB ARG 117 -2.577 -5.398 -6.571 868 1HG ARG 117 1HG ARG 117 -0.659 -5.850 -5.448 869 2HG ARG 117 2HG ARG 117 -0.214 -6.473 -7.024 870 1HD ARG 117 1HD ARG 117 0.416 -3.761 -7.114 871 2HD ARG 117 2HD ARG 117 0.933 -4.295 -5.527 872 HE ARG 117 HE ARG 117 2.412 -4.652 -7.806 873 1HH1 ARG 117 1HH2 ARG 117 1.159 -6.689 -5.279 874 2HH1 ARG 117 2HH2 ARG 117 2.349 -7.944 -5.538 875 1HH2 ARG 117 1HH1 ARG 117 3.880 -6.300 -8.215 876 2HH2 ARG 117 2HH1 ARG 117 3.889 -7.725 -7.199 877 H CYS 118 H CYS 118 -3.640 -3.996 -7.320 878 HA CYS 118 HA CYS 118 -5.757 -4.604 -9.224 879 1HB CYS 118 1HB CYS 118 -5.657 -4.134 -6.468 880 2HB CYS 118 2HB CYS 118 -6.551 -2.798 -7.166 881 H MET 119 H MET 119 -3.284 -2.466 -9.072 882 HA MET 119 HA MET 119 -4.802 -0.179 -10.108 883 1HB MET 119 1HB MET 119 -2.838 -0.189 -8.356 884 2HB MET 119 2HB MET 119 -1.857 -0.173 -9.807 885 1HG MET 119 1HG MET 119 -2.275 2.104 -9.063 886 2HG MET 119 2HG MET 119 -3.082 1.816 -10.591 887 1HE MET 119 1HE MET 119 -5.084 3.200 -10.856 888 2HE MET 119 2HE MET 119 -5.627 1.487 -10.923 889 3HE MET 119 3HE MET 119 -6.597 2.703 -10.023 890 H ARG 120 H ARG 120 -3.525 -2.955 -11.312 891 HA ARG 120 HA ARG 120 -3.276 -1.776 -13.983 892 1HB ARG 120 1HB ARG 120 -0.999 -1.822 -13.451 893 2HB ARG 120 2HB ARG 120 -1.148 -3.319 -12.553 894 1HG ARG 120 1HG ARG 120 -0.972 -4.604 -14.417 895 2HG ARG 120 2HG ARG 120 -1.915 -3.494 -15.391 896 1HD ARG 120 1HD ARG 120 0.698 -2.448 -14.598 897 2HD ARG 120 2HD ARG 120 0.783 -3.873 -15.614 898 HE ARG 120 HE ARG 120 -1.040 -2.308 -16.925 899 1HH1 ARG 120 1HH2 ARG 120 2.199 -1.703 -15.742 900 2HH1 ARG 120 2HH2 ARG 120 2.544 -0.526 -16.989 901 1HH2 ARG 120 1HH1 ARG 120 -0.574 -0.805 -18.512 902 2HH2 ARG 120 2HH1 ARG 120 0.990 -0.021 -18.542 903 H GLN 121 H GLN 121 -3.242 -4.713 -12.006 904 HA GLN 121 HA GLN 121 -5.005 -5.968 -14.003 905 1HB GLN 121 1HB GLN 121 -2.412 -6.672 -13.840 906 2HB GLN 121 2HB GLN 121 -3.112 -7.763 -12.659 907 1HG GLN 121 1HG GLN 121 -4.157 -8.989 -14.241 908 2HG GLN 121 2HG GLN 121 -4.660 -7.570 -15.135 909 1HE2 GLN 121 2HE2 GLN 121 -4.030 -9.522 -16.701 910 2HE2 GLN 121 1HE2 GLN 121 -2.443 -9.344 -17.415 911 H THR 122 H THR 122 -4.912 -8.469 -12.471 912 HA THR 122 HA THR 122 -6.868 -7.724 -10.434 913 HB THR 122 HB THR 122 -7.455 -10.090 -10.537 914 HG1 THR 122 1HG THR 122 -6.131 -11.413 -11.887 915 1HG2 THR 122 1HG2 THR 122 -8.276 -8.677 -12.456 916 2HG2 THR 122 2HG2 THR 122 -6.771 -9.100 -13.344 917 3HG2 THR 122 3HG2 THR 122 -7.963 -10.381 -12.934 918 H ARG 123 H ARG 123 -6.446 -10.182 -8.928 919 HA ARG 123 HA ARG 123 -4.606 -9.177 -6.986 920 1HB ARG 123 1HB ARG 123 -6.086 -11.767 -7.270 921 2HB ARG 123 2HB ARG 123 -4.993 -11.457 -5.938 922 1HG ARG 123 1HG ARG 123 -6.451 -10.089 -4.907 923 2HG ARG 123 2HG ARG 123 -6.924 -9.315 -6.406 924 1HD ARG 123 1HD ARG 123 -8.884 -10.394 -6.015 925 2HD ARG 123 2HD ARG 123 -8.044 -11.731 -6.776 926 HE ARG 123 HE ARG 123 -7.390 -11.920 -4.088 927 1HH1 ARG 123 1HH2 ARG 123 -10.350 -11.959 -5.948 928 2HH1 ARG 123 2HH2 ARG 123 -11.191 -12.965 -4.790 929 1HH2 ARG 123 1HH1 ARG 123 -8.489 -13.202 -2.609 930 2HH2 ARG 123 2HH1 ARG 123 -10.149 -13.660 -2.918 931 H THR 124 H THR 124 -4.405 -12.524 -7.842 932 HA THR 124 HA THR 124 -1.617 -12.626 -7.681 933 HB THR 124 HB THR 124 -2.880 -14.623 -7.346 934 HG1 THR 124 1HG THR 124 -1.808 -15.925 -8.905 935 1HG2 THR 124 1HG2 THR 124 -4.824 -14.100 -8.853 936 2HG2 THR 124 2HG2 THR 124 -3.749 -14.388 -10.265 937 3HG2 THR 124 3HG2 THR 124 -4.147 -15.739 -9.148 938 H ASN 125 H ASN 125 -0.576 -11.118 -8.898 939 HA ASN 125 HA ASN 125 0.350 -11.652 -11.396 940 1HB ASN 125 1HB ASN 125 -2.371 -10.531 -11.538 941 2HB ASN 125 2HB ASN 125 -1.187 -9.743 -12.563 942 1HD2 ASN 125 2HD2 ASN 125 -3.583 -11.627 -12.918 943 2HD2 ASN 125 1HD2 ASN 125 -2.986 -12.841 -14.027 Start of MODEL 15 1 1H ALA 1 1H ALA 1 -27.297 -26.411 -15.890 2 2H ALA 1 2H ALA 1 -25.788 -25.780 -15.631 3 3H ALA 1 3H ALA 1 -26.286 -27.112 -14.783 4 HA ALA 1 HA ALA 1 -28.002 -25.827 -13.742 5 1HB ALA 1 1HB ALA 1 -25.877 -26.105 -12.544 6 2HB ALA 1 2HB ALA 1 -25.220 -24.666 -13.397 7 3HB ALA 1 3HB ALA 1 -26.587 -24.480 -12.245 8 H GLU 2 H GLU 2 -25.622 -23.535 -15.113 9 HA GLU 2 HA GLU 2 -27.688 -22.141 -16.600 10 1HB GLU 2 1HB GLU 2 -27.402 -21.395 -13.949 11 2HB GLU 2 2HB GLU 2 -26.407 -20.237 -14.806 12 1HG GLU 2 1HG GLU 2 -28.254 -19.109 -15.367 13 2HG GLU 2 2HG GLU 2 -28.784 -20.496 -16.298 14 H PHE 3 H PHE 3 -26.492 -19.792 -17.152 15 HA PHE 3 HA PHE 3 -23.660 -20.116 -17.679 16 1HB PHE 3 1HB PHE 3 -24.875 -21.546 -19.372 17 2HB PHE 3 2HB PHE 3 -25.503 -20.055 -20.043 18 HD1 PHE 3 1HD PHE 3 -24.209 -18.709 -21.522 19 HD2 PHE 3 2HD PHE 3 -22.381 -21.922 -19.284 20 HE1 PHE 3 1HE PHE 3 -22.125 -18.447 -22.861 21 HE2 PHE 3 2HE PHE 3 -20.312 -21.698 -20.661 22 HZ PHE 3 HZ PHE 3 -20.192 -19.962 -22.445 23 H MET 4 H MET 4 -24.472 -18.094 -16.224 24 HA MET 4 HA MET 4 -23.995 -15.720 -17.716 25 1HB MET 4 1HB MET 4 -26.273 -14.688 -17.430 26 2HB MET 4 2HB MET 4 -26.166 -15.899 -18.691 27 1HG MET 4 1HG MET 4 -27.137 -17.552 -17.116 28 2HG MET 4 2HG MET 4 -27.346 -16.264 -15.948 29 1HE MET 4 1HE MET 4 -28.962 -14.333 -16.085 30 2HE MET 4 2HE MET 4 -28.147 -13.823 -17.604 31 3HE MET 4 3HE MET 4 -29.941 -13.930 -17.537 32 H GLU 5 H GLU 5 -23.439 -14.162 -16.329 33 HA GLU 5 HA GLU 5 -24.599 -13.547 -13.861 34 1HB GLU 5 1HB GLU 5 -22.956 -15.883 -13.671 35 2HB GLU 5 2HB GLU 5 -22.137 -14.568 -12.852 36 1HG GLU 5 1HG GLU 5 -24.110 -14.122 -11.505 37 2HG GLU 5 2HG GLU 5 -25.023 -15.330 -12.388 38 H SER 6 H SER 6 -22.940 -12.255 -12.488 39 HA SER 6 HA SER 6 -20.602 -11.150 -13.425 40 1HB SER 6 1HB SER 6 -21.426 -8.912 -14.293 41 2HB SER 6 2HB SER 6 -21.516 -10.270 -15.397 42 HG SER 6 HG SER 6 -23.453 -9.035 -15.367 43 H LYS 7 H LYS 7 -20.225 -11.192 -11.231 44 HA LYS 7 HA LYS 7 -21.283 -8.830 -9.835 45 1HB LYS 7 1HB LYS 7 -21.723 -10.099 -7.816 46 2HB LYS 7 2HB LYS 7 -22.692 -10.683 -9.155 47 1HG LYS 7 1HG LYS 7 -21.617 -12.701 -9.234 48 2HG LYS 7 2HG LYS 7 -20.088 -12.028 -8.707 49 1HD LYS 7 1HD LYS 7 -21.899 -11.755 -6.549 50 2HD LYS 7 2HD LYS 7 -22.060 -13.392 -7.152 51 1HE LYS 7 1HE LYS 7 -19.716 -13.806 -6.881 52 2HE LYS 7 2HE LYS 7 -19.397 -12.115 -6.550 53 1HZ LYS 7 1HZ LYS 7 -20.677 -12.316 -4.547 54 2HZ LYS 7 2HZ LYS 7 -20.978 -13.914 -4.860 55 3HZ LYS 7 3HZ LYS 7 -19.433 -13.408 -4.549 56 H GLY 8 H GLY 8 -20.038 -8.712 -7.586 57 1HA GLY 8 1HA GLY 8 -17.202 -9.481 -7.968 58 2HA GLY 8 2HA GLY 8 -17.596 -7.795 -7.693 59 H GLU 9 H GLU 9 -17.651 -7.107 -5.688 60 HA GLU 9 HA GLU 9 -18.642 -8.702 -3.491 61 1HB GLU 9 1HB GLU 9 -16.059 -9.227 -4.056 62 2HB GLU 9 2HB GLU 9 -15.861 -7.849 -2.993 63 1HG GLU 9 1HG GLU 9 -17.159 -8.939 -1.263 64 2HG GLU 9 2HG GLU 9 -17.522 -10.277 -2.334 65 H ARG 10 H ARG 10 -19.036 -7.458 -1.620 66 HA ARG 10 HA ARG 10 -19.413 -4.663 -2.011 67 1HB ARG 10 1HB ARG 10 -20.149 -6.585 -0.099 68 2HB ARG 10 2HB ARG 10 -19.288 -5.332 0.773 69 1HG ARG 10 1HG ARG 10 -20.731 -3.641 -0.396 70 2HG ARG 10 2HG ARG 10 -21.670 -4.972 -1.041 71 1HD ARG 10 1HD ARG 10 -21.836 -5.713 1.452 72 2HD ARG 10 2HD ARG 10 -21.416 -4.046 1.790 73 HE ARG 10 HE ARG 10 -23.492 -3.926 -0.052 74 1HH1 ARG 10 1HH2 ARG 10 -23.112 -5.163 3.203 75 2HH1 ARG 10 2HH2 ARG 10 -24.807 -4.942 3.576 76 1HH2 ARG 10 1HH1 ARG 10 -25.642 -3.691 0.484 77 2HH2 ARG 10 2HH1 ARG 10 -26.195 -4.134 2.084 78 H GLU 11 H GLU 11 -18.516 -2.911 -0.779 79 HA GLU 11 HA GLU 11 -15.621 -3.010 -0.711 80 1HB GLU 11 1HB GLU 11 -17.568 -0.999 -0.908 81 2HB GLU 11 2HB GLU 11 -16.731 -0.697 0.601 82 1HG GLU 11 1HG GLU 11 -15.378 0.436 -0.905 83 2HG GLU 11 2HG GLU 11 -14.582 -1.123 -0.825 84 H GLY 12 H GLY 12 -14.297 -2.443 1.134 85 1HA GLY 12 1HA GLY 12 -13.531 -2.866 3.252 86 2HA GLY 12 2HA GLY 12 -15.090 -2.282 3.801 87 H SER 13 H SER 13 -13.285 -5.144 2.793 88 HA SER 13 HA SER 13 -14.760 -6.800 4.679 89 1HB SER 13 1HB SER 13 -16.132 -6.726 2.498 90 2HB SER 13 2HB SER 13 -14.855 -7.720 1.827 91 HG SER 13 HG SER 13 -16.517 -8.983 2.817 92 H SER 14 H SER 14 -12.137 -5.983 4.741 93 HA SER 14 HA SER 14 -10.347 -7.786 3.532 94 1HB SER 14 1HB SER 14 -8.853 -6.605 4.569 95 2HB SER 14 2HB SER 14 -10.168 -5.711 5.307 96 HG SER 14 HG SER 14 -8.614 -6.384 6.811 97 H SER 15 H SER 15 -9.209 -9.602 4.352 98 HA SER 15 HA SER 15 -10.781 -11.659 5.480 99 1HB SER 15 1HB SER 15 -8.283 -11.449 4.284 100 2HB SER 15 2HB SER 15 -7.935 -12.022 5.903 101 HG SER 15 HG SER 15 -8.432 -13.733 4.456 102 H GLN 16 H GLN 16 -9.133 -12.850 7.472 103 HA GLN 16 HA GLN 16 -10.152 -12.077 9.839 104 1HB GLN 16 1HB GLN 16 -8.485 -13.936 9.292 105 2HB GLN 16 2HB GLN 16 -7.242 -12.766 9.684 106 1HG GLN 16 1HG GLN 16 -7.693 -12.861 11.908 107 2HG GLN 16 2HG GLN 16 -9.425 -12.872 11.643 108 1HE2 GLN 16 2HE2 GLN 16 -10.534 -14.805 11.524 109 2HE2 GLN 16 1HE2 GLN 16 -9.774 -16.353 11.816 110 H GLN 17 H GLN 17 -7.002 -10.823 8.808 111 HA GLN 17 HA GLN 17 -7.532 -8.145 9.682 112 1HB GLN 17 1HB GLN 17 -5.554 -8.319 11.376 113 2HB GLN 17 2HB GLN 17 -7.186 -8.721 11.870 114 1HG GLN 17 1HG GLN 17 -6.704 -11.083 11.595 115 2HG GLN 17 2HG GLN 17 -5.083 -10.701 11.052 116 1HE2 GLN 17 2HE2 GLN 17 -3.679 -11.292 12.568 117 2HE2 GLN 17 1HE2 GLN 17 -3.876 -11.012 14.283 118 H CYS 18 H CYS 18 -7.007 -9.133 7.252 119 HA CYS 18 HA CYS 18 -4.155 -8.926 6.739 120 1HB CYS 18 1HB CYS 18 -5.644 -10.240 5.272 121 2HB CYS 18 2HB CYS 18 -6.392 -8.739 4.762 122 H ARG 19 H ARG 19 -7.007 -6.748 6.455 123 HA ARG 19 HA ARG 19 -5.937 -4.571 5.168 124 1HB ARG 19 1HB ARG 19 -8.200 -5.019 6.570 125 2HB ARG 19 2HB ARG 19 -7.395 -3.857 7.604 126 1HG ARG 19 1HG ARG 19 -7.342 -2.235 5.942 127 2HG ARG 19 2HG ARG 19 -7.610 -3.405 4.666 128 1HD ARG 19 1HD ARG 19 -9.872 -3.790 6.016 129 2HD ARG 19 2HD ARG 19 -9.564 -2.137 6.511 130 HE ARG 19 HE ARG 19 -10.296 -1.460 4.475 131 1HH1 ARG 19 1HH2 ARG 19 -9.087 -4.709 4.017 132 2HH1 ARG 19 2HH2 ARG 19 -9.500 -4.714 2.318 133 1HH2 ARG 19 1HH1 ARG 19 -10.781 -1.520 2.323 134 2HH2 ARG 19 2HH1 ARG 19 -10.434 -2.956 1.387 135 H GLN 20 H GLN 20 -5.897 -4.795 8.719 136 HA GLN 20 HA GLN 20 -4.115 -2.731 9.271 137 1HB GLN 20 1HB GLN 20 -3.573 -4.087 11.327 138 2HB GLN 20 2HB GLN 20 -5.265 -3.723 11.062 139 1HG GLN 20 1HG GLN 20 -5.745 -5.894 11.214 140 2HG GLN 20 2HG GLN 20 -4.735 -6.211 9.817 141 1HE2 GLN 20 2HE2 GLN 20 -2.280 -6.175 10.375 142 2HE2 GLN 20 1HE2 GLN 20 -1.839 -7.076 11.809 143 H GLU 21 H GLU 21 -3.354 -6.073 8.285 144 HA GLU 21 HA GLU 21 -0.515 -5.580 8.544 145 1HB GLU 21 1HB GLU 21 -2.225 -7.774 7.666 146 2HB GLU 21 2HB GLU 21 -0.649 -7.683 6.907 147 1HG GLU 21 1HG GLU 21 -1.241 -7.951 9.827 148 2HG GLU 21 2HG GLU 21 -0.532 -9.157 8.772 149 H VAL 22 H VAL 22 -2.805 -5.471 5.787 150 HA VAL 22 HA VAL 22 -0.804 -4.921 3.815 151 HB VAL 22 HB VAL 22 -3.767 -4.714 4.111 152 1HG1 VAL 22 1HG1 VAL 22 -3.138 -2.854 2.654 153 2HG1 VAL 22 2HG1 VAL 22 -2.197 -4.004 1.643 154 3HG1 VAL 22 3HG1 VAL 22 -3.984 -4.167 1.763 155 1HG2 VAL 22 1HG2 VAL 22 -1.918 -6.302 2.304 156 2HG2 VAL 22 2HG2 VAL 22 -2.731 -6.919 3.785 157 3HG2 VAL 22 3HG2 VAL 22 -3.709 -6.443 2.354 158 H GLN 23 H GLN 23 -2.285 -3.015 6.300 159 HA GLN 23 HA GLN 23 -1.971 -0.457 5.052 160 1HB GLN 23 1HB GLN 23 -2.893 0.394 6.917 161 2HB GLN 23 2HB GLN 23 -3.421 -1.270 7.054 162 1HG GLN 23 1HG GLN 23 -2.740 -1.047 9.139 163 2HG GLN 23 2HG GLN 23 -1.167 -1.395 8.450 164 1HE2 GLN 23 2HE2 GLN 23 -0.670 -0.421 10.597 165 2HE2 GLN 23 1HE2 GLN 23 -0.398 1.307 10.621 166 H ARG 24 H ARG 24 0.283 -2.550 5.672 167 HA ARG 24 HA ARG 24 2.396 -0.642 6.104 168 1HB ARG 24 1HB ARG 24 3.350 -2.203 7.917 169 2HB ARG 24 2HB ARG 24 2.258 -0.895 8.321 170 1HG ARG 24 1HG ARG 24 0.703 -2.284 9.085 171 2HG ARG 24 2HG ARG 24 0.878 -3.367 7.719 172 1HD ARG 24 1HD ARG 24 1.890 -4.822 9.031 173 2HD ARG 24 2HD ARG 24 3.171 -3.661 9.315 174 HE ARG 24 HE ARG 24 0.806 -3.122 10.885 175 1HH1 ARG 24 1HH2 ARG 24 3.749 -5.002 10.791 176 2HH1 ARG 24 2HH2 ARG 24 3.802 -5.172 12.531 177 1HH2 ARG 24 1HH1 ARG 24 0.932 -3.369 13.096 178 2HH2 ARG 24 2HH1 ARG 24 2.253 -4.275 13.799 179 H LYS 25 H LYS 25 1.371 -3.875 5.515 180 HA LYS 25 HA LYS 25 3.966 -4.904 4.792 181 1HB LYS 25 1HB LYS 25 1.240 -6.125 4.632 182 2HB LYS 25 2HB LYS 25 2.690 -6.917 4.048 183 1HG LYS 25 1HG LYS 25 3.384 -5.982 6.572 184 2HG LYS 25 2HG LYS 25 1.748 -6.578 6.771 185 1HD LYS 25 1HD LYS 25 2.343 -8.743 6.365 186 2HD LYS 25 2HD LYS 25 3.648 -8.295 5.285 187 1HE LYS 25 1HE LYS 25 5.154 -8.082 6.978 188 2HE LYS 25 2HE LYS 25 3.954 -7.491 8.110 189 1HZ LYS 25 1HZ LYS 25 3.102 -9.706 8.287 190 2HZ LYS 25 2HZ LYS 25 4.237 -10.264 7.218 191 3HZ LYS 25 3HZ LYS 25 4.707 -9.672 8.690 192 H ASP 26 H ASP 26 1.051 -5.312 2.823 193 HA ASP 26 HA ASP 26 2.338 -4.974 0.337 194 1HB ASP 26 1HB ASP 26 -0.063 -5.830 1.040 195 2HB ASP 26 2HB ASP 26 -0.505 -4.179 0.652 196 H LEU 27 H LEU 27 0.604 -3.020 -0.982 197 HA LEU 27 HA LEU 27 2.003 -0.763 -1.195 198 1HB LEU 27 1HB LEU 27 -0.978 -0.925 -1.060 199 2HB LEU 27 2HB LEU 27 -0.077 0.415 -1.740 200 HG LEU 27 HG LEU 27 -0.386 -0.637 -3.657 201 1HD1 LEU 27 1HD1 LEU 27 1.987 -1.070 -3.493 202 2HD1 LEU 27 2HD1 LEU 27 1.632 -2.638 -2.687 203 3HD1 LEU 27 3HD1 LEU 27 1.124 -2.368 -4.391 204 1HD2 LEU 27 1HD2 LEU 27 -0.749 -3.204 -2.169 205 2HD2 LEU 27 2HD2 LEU 27 -2.035 -2.096 -2.762 206 3HD2 LEU 27 3HD2 LEU 27 -0.988 -2.967 -3.935 207 H SER 28 H SER 28 3.082 0.080 0.454 208 HA SER 28 HA SER 28 1.670 1.478 2.615 209 1HB SER 28 1HB SER 28 1.929 -0.584 3.697 210 2HB SER 28 2HB SER 28 3.554 -0.796 3.080 211 HG SER 28 HG SER 28 3.532 -0.080 5.260 212 H SER 29 H SER 29 3.258 1.960 0.178 213 HA SER 29 HA SER 29 4.780 4.150 1.182 214 1HB SER 29 1HB SER 29 6.300 2.092 1.625 215 2HB SER 29 2HB SER 29 6.533 2.103 -0.111 216 HG SER 29 HG SER 29 8.073 3.412 0.988 217 H CYS 30 H CYS 30 4.037 1.883 -1.453 218 HA CYS 30 HA CYS 30 4.973 3.408 -3.613 219 1HB CYS 30 1HB CYS 30 2.363 1.971 -3.695 220 2HB CYS 30 2HB CYS 30 3.603 2.073 -4.929 221 H GLU 31 H GLU 31 1.655 3.389 -2.237 222 HA GLU 31 HA GLU 31 0.961 5.809 -3.634 223 1HB GLU 31 1HB GLU 31 -0.298 3.912 -1.936 224 2HB GLU 31 2HB GLU 31 -0.645 5.527 -1.351 225 1HG GLU 31 1HG GLU 31 -1.080 4.557 -4.151 226 2HG GLU 31 2HG GLU 31 -2.322 4.710 -2.925 227 H ARG 32 H ARG 32 2.316 5.138 -0.395 228 HA ARG 32 HA ARG 32 1.995 7.777 0.598 229 1HB ARG 32 1HB ARG 32 2.780 5.644 1.762 230 2HB ARG 32 2HB ARG 32 4.376 6.112 1.213 231 1HG ARG 32 1HG ARG 32 4.350 8.103 2.466 232 2HG ARG 32 2HG ARG 32 2.611 8.050 2.674 233 1HD ARG 32 1HD ARG 32 4.438 5.942 3.790 234 2HD ARG 32 2HD ARG 32 3.994 7.377 4.694 235 HE ARG 32 HE ARG 32 1.661 6.055 3.681 236 1HH1 ARG 32 1HH2 ARG 32 4.035 5.818 6.240 237 2HH1 ARG 32 2HH2 ARG 32 2.945 4.939 7.290 238 1HH2 ARG 32 1HH1 ARG 32 0.324 4.922 5.070 239 2HH2 ARG 32 2HH1 ARG 32 0.910 4.448 6.649 240 H TYR 33 H TYR 33 4.264 6.524 -1.697 241 HA TYR 33 HA TYR 33 6.398 8.331 -1.577 242 1HB TYR 33 1HB TYR 33 6.341 6.195 -2.840 243 2HB TYR 33 2HB TYR 33 5.227 6.932 -3.973 244 HD1 TYR 33 1HD TYR 33 6.010 8.054 -5.862 245 HD2 TYR 33 2HD TYR 33 8.619 7.402 -2.489 246 HE1 TYR 33 1HE TYR 33 7.961 8.753 -7.259 247 HE2 TYR 33 2HE TYR 33 10.537 8.267 -3.819 248 HH TYR 33 HH TYR 33 11.256 8.860 -5.795 249 H LEU 34 H LEU 34 3.555 8.283 -3.793 250 HA LEU 34 HA LEU 34 4.112 11.010 -4.594 251 1HB LEU 34 1HB LEU 34 2.161 10.803 -5.912 252 2HB LEU 34 2HB LEU 34 3.073 9.310 -6.009 253 HG LEU 34 HG LEU 34 1.337 8.904 -3.912 254 1HD1 LEU 34 1HD1 LEU 34 -0.029 10.841 -4.412 255 2HD1 LEU 34 2HD1 LEU 34 -0.236 10.276 -6.106 256 3HD1 LEU 34 3HD1 LEU 34 -0.946 9.332 -4.751 257 1HD2 LEU 34 1HD2 LEU 34 1.178 7.979 -6.774 258 2HD2 LEU 34 2HD2 LEU 34 2.102 7.226 -5.429 259 3HD2 LEU 34 3HD2 LEU 34 0.305 7.228 -5.394 260 H ARG 35 H ARG 35 2.229 9.555 -2.057 261 HA ARG 35 HA ARG 35 0.759 11.941 -1.376 262 1HB ARG 35 1HB ARG 35 0.353 9.376 -0.819 263 2HB ARG 35 2HB ARG 35 1.184 9.845 0.650 264 1HG ARG 35 1HG ARG 35 -0.866 11.748 -0.164 265 2HG ARG 35 2HG ARG 35 -1.501 10.149 0.172 266 1HD ARG 35 1HD ARG 35 0.395 11.438 2.080 267 2HD ARG 35 2HD ARG 35 -1.304 11.865 2.104 268 HE ARG 35 HE ARG 35 -0.991 9.026 2.137 269 1HH1 ARG 35 1HH2 ARG 35 -0.697 11.814 4.223 270 2HH1 ARG 35 2HH2 ARG 35 -1.007 10.881 5.671 271 1HH2 ARG 35 1HH1 ARG 35 -1.386 7.889 4.029 272 2HH2 ARG 35 2HH1 ARG 35 -1.385 8.729 5.563 273 H GLN 36 H GLN 36 3.987 11.352 -1.168 274 HA GLN 36 HA GLN 36 4.412 13.380 0.841 275 1HB GLN 36 1HB GLN 36 4.242 10.876 1.834 276 2HB GLN 36 2HB GLN 36 5.956 10.956 1.477 277 1HG GLN 36 1HG GLN 36 5.879 13.276 2.599 278 2HG GLN 36 2HG GLN 36 4.329 12.770 3.238 279 1HE2 GLN 36 2HE2 GLN 36 4.486 12.068 5.296 280 2HE2 GLN 36 1HE2 GLN 36 5.833 11.160 5.943 281 H SER 37 H SER 37 7.146 12.889 1.266 282 HA SER 37 HA SER 37 8.233 13.636 -1.348 283 1HB SER 37 1HB SER 37 8.657 14.767 0.940 284 2HB SER 37 2HB SER 37 9.795 13.459 1.190 285 HG SER 37 HG SER 37 10.770 15.291 0.199 286 H SER 38 H SER 38 10.876 12.726 -0.889 287 HA SER 38 HA SER 38 10.622 9.830 -1.346 288 1HB SER 38 1HB SER 38 12.598 9.961 -2.535 289 2HB SER 38 2HB SER 38 11.801 11.475 -2.913 290 HG SER 38 HG SER 38 14.014 11.752 -2.406 291 H SER 39 H SER 39 12.803 8.712 -0.646 292 HA SER 39 HA SER 39 14.109 9.397 1.729 293 1HB SER 39 1HB SER 39 11.588 8.818 2.482 294 2HB SER 39 2HB SER 39 12.268 7.203 2.485 295 HG SER 39 HG SER 39 12.721 8.347 4.461 296 H ARG 40 H ARG 40 14.621 6.957 2.851 297 HA ARG 40 HA ARG 40 14.934 4.823 0.957 298 1HB ARG 40 1HB ARG 40 16.746 6.591 0.331 299 2HB ARG 40 2HB ARG 40 17.550 6.040 1.787 300 1HG ARG 40 1HG ARG 40 17.269 3.678 0.848 301 2HG ARG 40 2HG ARG 40 16.868 4.451 -0.672 302 1HD ARG 40 1HD ARG 40 19.036 5.686 -0.544 303 2HD ARG 40 2HD ARG 40 19.438 4.748 0.880 304 HE ARG 40 HE ARG 40 19.594 3.899 -1.865 305 1HH1 ARG 40 1HH2 ARG 40 19.152 2.685 1.395 306 2HH1 ARG 40 2HH2 ARG 40 19.654 1.070 0.950 307 1HH2 ARG 40 1HH1 ARG 40 20.188 1.796 -2.351 308 2HH2 ARG 40 2HH1 ARG 40 20.216 0.590 -1.085 309 H ARG 41 H ARG 41 16.269 6.374 3.843 310 HA ARG 41 HA ARG 41 17.160 4.104 5.233 311 1HB ARG 41 1HB ARG 41 16.251 6.825 6.047 312 2HB ARG 41 2HB ARG 41 16.515 5.615 7.285 313 1HG ARG 41 1HG ARG 41 18.668 5.776 5.299 314 2HG ARG 41 2HG ARG 41 18.466 7.234 6.248 315 1HD ARG 41 1HD ARG 41 18.432 4.669 7.731 316 2HD ARG 41 2HD ARG 41 19.974 5.175 7.072 317 HE ARG 41 HE ARG 41 18.782 7.369 8.408 318 1HH1 ARG 41 1HH2 ARG 41 20.251 4.302 9.231 319 2HH1 ARG 41 2HH2 ARG 41 20.791 4.882 10.791 320 1HH2 ARG 41 1HH1 ARG 41 19.518 8.051 10.395 321 2HH2 ARG 41 2HH1 ARG 41 20.388 6.941 11.430 322 H SER 42 H SER 42 16.240 2.635 6.556 323 HA SER 42 HA SER 42 13.567 2.859 7.572 324 1HB SER 42 1HB SER 42 13.312 2.289 5.037 325 2HB SER 42 2HB SER 42 13.828 0.689 5.529 326 HG SER 42 HG SER 42 11.546 0.944 5.637 327 H THR 43 H THR 43 13.485 1.635 9.346 328 HA THR 43 HA THR 43 15.625 -0.052 10.152 329 HB THR 43 HB THR 43 14.329 0.970 11.802 330 HG1 THR 43 1HG THR 43 13.582 -0.780 13.044 331 1HG2 THR 43 1HG2 THR 43 12.238 1.353 10.619 332 2HG2 THR 43 2HG2 THR 43 11.863 -0.404 10.707 333 3HG2 THR 43 3HG2 THR 43 11.936 0.577 12.212 334 H GLY 44 H GLY 44 15.975 -2.210 10.112 335 1HA GLY 44 1HA GLY 44 13.924 -4.122 9.411 336 2HA GLY 44 2HA GLY 44 15.071 -3.862 8.111 337 H GLU 45 H GLU 45 16.715 -5.212 8.082 338 HA GLU 45 HA GLU 45 18.107 -5.947 10.559 339 1HB GLU 45 1HB GLU 45 16.373 -7.663 10.306 340 2HB GLU 45 2HB GLU 45 16.955 -8.008 8.691 341 1HG GLU 45 1HG GLU 45 18.672 -9.252 9.454 342 2HG GLU 45 2HG GLU 45 19.062 -8.094 10.710 343 H GLU 46 H GLU 46 17.906 -6.658 7.059 344 HA GLU 46 HA GLU 46 20.733 -5.899 6.782 345 1HB GLU 46 1HB GLU 46 20.469 -8.436 7.209 346 2HB GLU 46 2HB GLU 46 19.829 -8.484 5.579 347 1HG GLU 46 1HG GLU 46 21.966 -7.087 5.003 348 2HG GLU 46 2HG GLU 46 22.576 -7.748 6.508 349 H VAL 47 H VAL 47 20.367 -4.199 5.503 350 HA VAL 47 HA VAL 47 19.209 -4.752 2.848 351 HB VAL 47 HB VAL 47 17.530 -3.753 4.498 352 1HG1 VAL 47 1HG1 VAL 47 18.920 -1.970 5.435 353 2HG1 VAL 47 2HG1 VAL 47 19.076 -1.236 3.801 354 3HG1 VAL 47 3HG1 VAL 47 17.474 -1.289 4.612 355 1HG2 VAL 47 1HG2 VAL 47 17.992 -2.519 1.768 356 2HG2 VAL 47 2HG2 VAL 47 17.102 -4.041 2.121 357 3HG2 VAL 47 3HG2 VAL 47 16.447 -2.465 2.687 358 H LEU 48 H LEU 48 21.865 -4.259 4.171 359 HA LEU 48 HA LEU 48 22.760 -1.962 2.547 360 1HB LEU 48 1HB LEU 48 24.686 -1.888 3.999 361 2HB LEU 48 2HB LEU 48 23.180 -1.736 4.882 362 HG LEU 48 HG LEU 48 23.844 -4.472 4.892 363 1HD1 LEU 48 1HD1 LEU 48 26.142 -3.918 4.282 364 2HD1 LEU 48 2HD1 LEU 48 26.227 -2.754 5.650 365 3HD1 LEU 48 3HD1 LEU 48 26.064 -4.514 5.977 366 1HD2 LEU 48 1HD2 LEU 48 24.027 -2.391 7.092 367 2HD2 LEU 48 2HD2 LEU 48 22.568 -3.333 6.632 368 3HD2 LEU 48 3HD2 LEU 48 23.990 -4.170 7.343 369 H ARG 49 H ARG 49 22.796 -5.332 2.678 370 HA ARG 49 HA ARG 49 24.562 -5.417 0.345 371 1HB ARG 49 1HB ARG 49 25.669 -5.979 2.695 372 2HB ARG 49 2HB ARG 49 24.997 -7.557 2.336 373 1HG ARG 49 1HG ARG 49 26.192 -6.552 -0.045 374 2HG ARG 49 2HG ARG 49 27.348 -6.361 1.257 375 1HD ARG 49 1HD ARG 49 27.261 -8.684 1.783 376 2HD ARG 49 2HD ARG 49 25.890 -8.933 0.721 377 HE ARG 49 HE ARG 49 27.854 -7.944 -0.940 378 1HH1 ARG 49 1HH2 ARG 49 27.699 -10.698 1.228 379 2HH1 ARG 49 2HH2 ARG 49 28.809 -11.633 0.251 380 1HH2 ARG 49 1HH1 ARG 49 29.246 -9.202 -2.137 381 2HH2 ARG 49 2HH1 ARG 49 29.656 -10.813 -1.593 382 H MET 50 H MET 50 21.616 -5.863 1.224 383 HA MET 50 HA MET 50 21.027 -7.959 -0.622 384 1HB MET 50 1HB MET 50 21.806 -8.987 1.752 385 2HB MET 50 2HB MET 50 20.082 -8.829 2.021 386 1HG MET 50 1HG MET 50 19.569 -10.428 0.508 387 2HG MET 50 2HG MET 50 20.823 -9.915 -0.602 388 1HE MET 50 1HE MET 50 21.092 -12.538 -1.173 389 2HE MET 50 2HE MET 50 22.552 -11.495 -1.276 390 3HE MET 50 3HE MET 50 22.665 -13.128 -0.533 391 HA PRO 51 HA PRO 51 17.614 -5.049 0.108 392 1HB PRO 51 1HB PRO 51 16.865 -4.826 -2.534 393 2HB PRO 51 2HB PRO 51 17.973 -3.747 -1.710 394 1HG PRO 51 1HG PRO 51 18.560 -5.826 -3.704 395 2HG PRO 51 2HG PRO 51 19.556 -4.478 -3.195 396 1HD PRO 51 1HD PRO 51 19.811 -7.203 -2.411 397 2HD PRO 51 2HD PRO 51 20.746 -5.841 -1.828 398 H GLY 52 H GLY 52 17.867 -8.150 -1.325 399 1HA GLY 52 1HA GLY 52 16.002 -9.638 -0.361 400 2HA GLY 52 2HA GLY 52 14.951 -8.636 -1.341 401 H ASP 53 H ASP 53 15.025 -8.763 -3.579 402 HA ASP 53 HA ASP 53 16.892 -10.456 -5.010 403 1HB ASP 53 1HB ASP 53 15.492 -12.179 -4.035 404 2HB ASP 53 2HB ASP 53 14.048 -11.354 -4.586 405 H GLU 54 H GLU 54 13.554 -9.229 -5.132 406 HA GLU 54 HA GLU 54 13.995 -8.214 -7.873 407 1HB GLU 54 1HB GLU 54 11.716 -9.399 -6.474 408 2HB GLU 54 2HB GLU 54 11.319 -7.962 -7.395 409 1HG GLU 54 1HG GLU 54 12.965 -10.159 -8.607 410 2HG GLU 54 2HG GLU 54 11.215 -10.248 -8.601 411 H ASN 55 H ASN 55 14.559 -6.210 -7.988 412 HA ASN 55 HA ASN 55 13.025 -4.102 -6.808 413 1HB ASN 55 1HB ASN 55 14.851 -3.117 -5.484 414 2HB ASN 55 2HB ASN 55 14.293 -4.643 -4.829 415 1HD2 ASN 55 2HD2 ASN 55 17.008 -2.847 -5.821 416 2HD2 ASN 55 1HD2 ASN 55 18.175 -4.144 -5.705 417 H GLN 56 H GLN 56 13.096 -2.420 -8.192 418 HA GLN 56 HA GLN 56 14.949 -2.448 -10.391 419 1HB GLN 56 1HB GLN 56 12.621 -0.938 -9.544 420 2HB GLN 56 2HB GLN 56 13.823 0.067 -10.328 421 1HG GLN 56 1HG GLN 56 13.104 -2.576 -11.524 422 2HG GLN 56 2HG GLN 56 12.037 -1.207 -11.769 423 1HE2 GLN 56 2HE2 GLN 56 12.796 -1.987 -14.080 424 2HE2 GLN 56 1HE2 GLN 56 14.168 -1.112 -14.721 425 H GLN 57 H GLN 57 16.415 -0.718 -10.987 426 HA GLN 57 HA GLN 57 17.344 1.121 -8.978 427 1HB GLN 57 1HB GLN 57 18.347 -1.237 -8.430 428 2HB GLN 57 2HB GLN 57 19.438 -0.859 -9.748 429 1HG GLN 57 1HG GLN 57 19.405 1.480 -8.290 430 2HG GLN 57 2HG GLN 57 19.335 0.247 -7.048 431 1HE2 GLN 57 2HE2 GLN 57 21.055 -1.344 -6.938 432 2HE2 GLN 57 1HE2 GLN 57 22.620 -0.971 -7.626 433 H GLN 58 H GLN 58 16.748 2.519 -10.726 434 HA GLN 58 HA GLN 58 19.015 2.936 -12.517 435 1HB GLN 58 1HB GLN 58 16.978 1.382 -13.504 436 2HB GLN 58 2HB GLN 58 16.544 2.977 -14.081 437 1HG GLN 58 1HG GLN 58 19.297 2.790 -14.494 438 2HG GLN 58 2HG GLN 58 18.665 1.226 -14.969 439 1HE2 GLN 58 2HE2 GLN 58 19.363 4.288 -16.060 440 2HE2 GLN 58 1HE2 GLN 58 18.332 4.308 -17.473 441 H GLU 59 H GLU 59 15.641 3.976 -12.529 442 HA GLU 59 HA GLU 59 16.477 6.753 -11.973 443 1HB GLU 59 1HB GLU 59 14.857 7.560 -13.583 444 2HB GLU 59 2HB GLU 59 16.070 6.543 -14.334 445 1HG GLU 59 1HG GLU 59 14.366 4.642 -14.112 446 2HG GLU 59 2HG GLU 59 13.190 5.897 -13.779 447 H SER 60 H SER 60 15.454 4.585 -10.267 448 HA SER 60 HA SER 60 13.520 5.953 -8.747 449 1HB SER 60 1HB SER 60 11.738 4.033 -9.234 450 2HB SER 60 2HB SER 60 11.703 5.615 -9.986 451 HG SER 60 HG SER 60 11.400 3.929 -11.483 452 H GLN 61 H GLN 61 15.771 5.051 -7.878 453 HA GLN 61 HA GLN 61 15.662 2.327 -6.971 454 1HB GLN 61 1HB GLN 61 17.439 2.962 -5.450 455 2HB GLN 61 2HB GLN 61 17.732 3.582 -7.062 456 1HG GLN 61 1HG GLN 61 18.063 5.571 -6.113 457 2HG GLN 61 2HG GLN 61 16.332 5.621 -5.850 458 1HE2 GLN 61 2HE2 GLN 61 17.231 7.200 -4.186 459 2HE2 GLN 61 1HE2 GLN 61 17.586 6.535 -2.606 460 H GLN 62 H GLN 62 14.102 5.249 -5.792 461 HA GLN 62 HA GLN 62 13.564 4.341 -3.131 462 1HB GLN 62 1HB GLN 62 13.051 6.610 -4.740 463 2HB GLN 62 2HB GLN 62 11.502 6.058 -4.135 464 1HG GLN 62 1HG GLN 62 13.836 6.252 -2.287 465 2HG GLN 62 2HG GLN 62 12.930 7.694 -2.699 466 1HE2 GLN 62 2HE2 GLN 62 11.222 8.155 -1.330 467 2HE2 GLN 62 1HE2 GLN 62 10.358 6.950 -0.401 468 H LEU 63 H LEU 63 12.117 3.640 -6.227 469 HA LEU 63 HA LEU 63 9.612 2.648 -5.256 470 1HB LEU 63 1HB LEU 63 11.201 2.556 -7.726 471 2HB LEU 63 2HB LEU 63 10.045 1.255 -7.510 472 HG LEU 63 HG LEU 63 8.238 2.688 -7.575 473 1HD1 LEU 63 1HD1 LEU 63 9.008 4.380 -5.986 474 2HD1 LEU 63 2HD1 LEU 63 10.134 5.035 -7.224 475 3HD1 LEU 63 3HD1 LEU 63 8.358 5.160 -7.470 476 1HD2 LEU 63 1HD2 LEU 63 10.198 3.889 -9.546 477 2HD2 LEU 63 2HD2 LEU 63 9.164 2.444 -9.823 478 3HD2 LEU 63 3HD2 LEU 63 8.409 4.060 -9.601 479 H GLN 64 H GLN 64 12.845 1.262 -5.351 480 HA GLN 64 HA GLN 64 12.367 -1.449 -5.121 481 1HB GLN 64 1HB GLN 64 14.435 -1.605 -4.119 482 2HB GLN 64 2HB GLN 64 14.545 -0.055 -4.930 483 1HG GLN 64 1HG GLN 64 14.155 1.116 -2.856 484 2HG GLN 64 2HG GLN 64 13.854 -0.392 -2.016 485 1HE2 GLN 64 2HE2 GLN 64 15.441 -1.247 -0.910 486 2HE2 GLN 64 1HE2 GLN 64 17.140 -0.884 -1.115 487 H GLN 65 H GLN 65 11.786 1.064 -2.710 488 HA GLN 65 HA GLN 65 11.191 -0.666 -0.530 489 1HB GLN 65 1HB GLN 65 11.239 2.147 -0.974 490 2HB GLN 65 2HB GLN 65 9.688 1.721 -0.276 491 1HG GLN 65 1HG GLN 65 10.657 0.781 1.622 492 2HG GLN 65 2HG GLN 65 12.212 0.577 0.842 493 1HE2 GLN 65 2HE2 GLN 65 12.019 1.680 3.397 494 2HE2 GLN 65 1HE2 GLN 65 12.497 3.359 3.295 495 H CYS 66 H CYS 66 9.112 1.002 -2.952 496 HA CYS 66 HA CYS 66 6.692 -0.151 -2.154 497 1HB CYS 66 1HB CYS 66 6.719 1.524 -3.850 498 2HB CYS 66 2HB CYS 66 7.658 0.490 -4.908 499 H CYS 67 H CYS 67 8.989 -1.532 -4.652 500 HA CYS 67 HA CYS 67 7.522 -3.902 -4.980 501 1HB CYS 67 1HB CYS 67 9.583 -3.108 -6.224 502 2HB CYS 67 2HB CYS 67 10.504 -3.855 -4.935 503 H ASN 68 H ASN 68 10.304 -3.478 -2.741 504 HA ASN 68 HA ASN 68 10.067 -5.880 -1.352 505 1HB ASN 68 1HB ASN 68 11.909 -4.317 -1.122 506 2HB ASN 68 2HB ASN 68 10.854 -3.175 -0.315 507 1HD2 ASN 68 2HD2 ASN 68 12.503 -3.238 1.373 508 2HD2 ASN 68 1HD2 ASN 68 12.429 -4.517 2.565 509 H GLN 69 H GLN 69 8.192 -2.914 -0.911 510 HA GLN 69 HA GLN 69 6.824 -3.713 1.453 511 1HB GLN 69 1HB GLN 69 6.454 -1.576 -0.589 512 2HB GLN 69 2HB GLN 69 5.139 -1.915 0.519 513 1HG GLN 69 1HG GLN 69 7.944 -1.092 1.262 514 2HG GLN 69 2HG GLN 69 6.496 -0.118 1.415 515 1HE2 GLN 69 2HE2 GLN 69 8.612 -1.752 3.296 516 2HE2 GLN 69 1HE2 GLN 69 7.509 -2.304 4.536 517 H VAL 70 H VAL 70 5.899 -3.787 -1.981 518 HA VAL 70 HA VAL 70 3.430 -5.131 -1.495 519 HB VAL 70 HB VAL 70 4.974 -5.235 -4.041 520 1HG1 VAL 70 1HG1 VAL 70 2.866 -6.424 -3.914 521 2HG1 VAL 70 2HG1 VAL 70 2.062 -4.915 -3.357 522 3HG1 VAL 70 3HG1 VAL 70 2.756 -5.006 -5.014 523 1HG2 VAL 70 1HG2 VAL 70 3.277 -2.882 -3.117 524 2HG2 VAL 70 2HG2 VAL 70 5.063 -2.848 -3.329 525 3HG2 VAL 70 3HG2 VAL 70 3.993 -3.101 -4.752 526 H LYS 71 H LYS 71 6.700 -6.222 -1.798 527 HA LYS 71 HA LYS 71 6.114 -8.997 -2.226 528 1HB LYS 71 1HB LYS 71 8.328 -7.504 -2.455 529 2HB LYS 71 2HB LYS 71 8.619 -8.226 -0.886 530 1HG LYS 71 1HG LYS 71 7.748 -9.955 -3.153 531 2HG LYS 71 2HG LYS 71 9.422 -9.445 -3.053 532 1HD LYS 71 1HD LYS 71 9.272 -10.288 -0.605 533 2HD LYS 71 2HD LYS 71 7.869 -11.172 -1.175 534 1HE LYS 71 1HE LYS 71 9.351 -12.075 -3.015 535 2HE LYS 71 2HE LYS 71 10.704 -11.406 -2.127 536 1HZ LYS 71 1HZ LYS 71 10.044 -12.706 -0.234 537 2HZ LYS 71 2HZ LYS 71 8.765 -13.338 -1.074 538 3HZ LYS 71 3HZ LYS 71 10.314 -13.688 -1.539 539 H GLN 72 H GLN 72 5.791 -6.955 0.505 540 HA GLN 72 HA GLN 72 5.843 -9.165 2.404 541 1HB GLN 72 1HB GLN 72 5.262 -6.240 2.684 542 2HB GLN 72 2HB GLN 72 5.230 -7.376 4.018 543 1HG GLN 72 1HG GLN 72 7.671 -7.786 2.645 544 2HG GLN 72 2HG GLN 72 7.487 -6.055 2.852 545 1HE2 GLN 72 2HE2 GLN 72 8.670 -8.807 4.298 546 2HE2 GLN 72 1HE2 GLN 72 8.615 -8.303 5.972 547 H VAL 73 H VAL 73 3.658 -8.267 0.085 548 HA VAL 73 HA VAL 73 1.228 -8.401 1.559 549 HB VAL 73 HB VAL 73 1.702 -7.651 -0.825 550 1HG1 VAL 73 1HG1 VAL 73 2.610 -9.700 -1.783 551 2HG1 VAL 73 2HG1 VAL 73 1.068 -10.549 -1.417 552 3HG1 VAL 73 3HG1 VAL 73 1.094 -9.208 -2.614 553 1HG2 VAL 73 1HG2 VAL 73 -0.794 -9.213 -0.127 554 2HG2 VAL 73 2HG2 VAL 73 -0.471 -7.482 0.230 555 3HG2 VAL 73 3HG2 VAL 73 -0.652 -8.029 -1.473 556 H ARG 74 H ARG 74 -0.415 -10.118 1.124 557 HA ARG 74 HA ARG 74 0.715 -12.668 1.999 558 1HB ARG 74 1HB ARG 74 -2.200 -12.206 1.704 559 2HB ARG 74 2HB ARG 74 -1.346 -13.255 2.817 560 1HG ARG 74 1HG ARG 74 -1.298 -10.254 2.893 561 2HG ARG 74 2HG ARG 74 -2.294 -11.270 3.918 562 1HD ARG 74 1HD ARG 74 0.316 -12.255 4.220 563 2HD ARG 74 2HD ARG 74 0.475 -10.510 4.250 564 HE ARG 74 HE ARG 74 -0.414 -12.051 6.390 565 1HH1 ARG 74 1HH2 ARG 74 -1.396 -9.191 4.655 566 2HH1 ARG 74 2HH2 ARG 74 -2.423 -8.629 5.955 567 1HH2 ARG 74 1HH1 ARG 74 -1.859 -11.347 7.986 568 2HH2 ARG 74 2HH1 ARG 74 -2.677 -9.815 7.785 569 H ASP 75 H ASP 75 -1.681 -11.624 -0.356 570 HA ASP 75 HA ASP 75 -0.761 -12.873 -2.651 571 1HB ASP 75 1HB ASP 75 -1.593 -14.854 -0.836 572 2HB ASP 75 2HB ASP 75 -2.885 -14.719 -2.012 573 H GLU 76 H GLU 76 -3.851 -12.973 -0.921 574 HA GLU 76 HA GLU 76 -5.264 -11.654 -3.142 575 1HB GLU 76 1HB GLU 76 -7.307 -12.473 -2.038 576 2HB GLU 76 2HB GLU 76 -6.216 -13.751 -2.534 577 1HG GLU 76 1HG GLU 76 -5.654 -12.913 0.174 578 2HG GLU 76 2HG GLU 76 -7.330 -13.392 0.003 579 H CYS 77 H CYS 77 -3.582 -10.131 -1.574 580 HA CYS 77 HA CYS 77 -5.570 -8.286 -0.453 581 1HB CYS 77 1HB CYS 77 -3.189 -9.415 0.799 582 2HB CYS 77 2HB CYS 77 -3.427 -7.695 1.029 583 H GLN 78 H GLN 78 -3.854 -8.719 -3.064 584 HA GLN 78 HA GLN 78 -2.107 -6.497 -3.286 585 1HB GLN 78 1HB GLN 78 -3.526 -8.354 -5.101 586 2HB GLN 78 2HB GLN 78 -2.755 -6.939 -5.788 587 1HG GLN 78 1HG GLN 78 -0.711 -7.739 -4.408 588 2HG GLN 78 2HG GLN 78 -1.542 -9.282 -4.439 589 1HE2 GLN 78 2HE2 GLN 78 0.233 -10.179 -5.633 590 2HE2 GLN 78 1HE2 GLN 78 0.506 -9.767 -7.311 591 H CYS 79 H CYS 79 -5.017 -6.787 -5.342 592 HA CYS 79 HA CYS 79 -5.260 -4.013 -5.765 593 1HB CYS 79 1HB CYS 79 -7.108 -6.312 -5.855 594 2HB CYS 79 2HB CYS 79 -7.775 -4.693 -5.935 595 H GLU 80 H GLU 80 -6.979 -6.100 -3.379 596 HA GLU 80 HA GLU 80 -8.477 -4.251 -2.021 597 1HB GLU 80 1HB GLU 80 -8.306 -6.667 -1.473 598 2HB GLU 80 2HB GLU 80 -6.779 -6.337 -0.681 599 1HG GLU 80 1HG GLU 80 -8.667 -6.441 0.915 600 2HG GLU 80 2HG GLU 80 -7.878 -4.876 0.916 601 H ALA 81 H ALA 81 -4.966 -4.798 -1.461 602 HA ALA 81 HA ALA 81 -4.638 -2.763 0.449 603 1HB ALA 81 1HB ALA 81 -2.924 -4.410 -0.036 604 2HB ALA 81 2HB ALA 81 -2.722 -3.714 -1.682 605 3HB ALA 81 3HB ALA 81 -2.282 -2.742 -0.235 606 H ILE 82 H ILE 82 -4.227 -2.491 -3.111 607 HA ILE 82 HA ILE 82 -3.708 0.270 -3.173 608 HB ILE 82 HB ILE 82 -4.622 -1.741 -5.119 609 1HG1 ILE 82 1HG1 ILE 82 -2.285 -1.449 -4.843 610 2HG1 ILE 82 2HG1 ILE 82 -2.738 -0.830 -6.419 611 1HG2 ILE 82 1HG2 ILE 82 -6.157 0.082 -5.685 612 2HG2 ILE 82 2HG2 ILE 82 -4.767 1.220 -5.753 613 3HG2 ILE 82 3HG2 ILE 82 -4.892 -0.119 -6.946 614 1HD1 ILE 82 1HD1 ILE 82 -2.636 1.486 -5.564 615 2HD1 ILE 82 2HD1 ILE 82 -2.170 0.851 -3.948 616 3HD1 ILE 82 3HD1 ILE 82 -1.069 0.629 -5.351 617 H LYS 83 H LYS 83 -6.851 -1.397 -3.515 618 HA LYS 83 HA LYS 83 -8.349 1.034 -3.488 619 1HB LYS 83 1HB LYS 83 -8.968 -1.854 -3.250 620 2HB LYS 83 2HB LYS 83 -10.210 -0.679 -2.865 621 1HG LYS 83 1HG LYS 83 -10.611 -0.569 -5.088 622 2HG LYS 83 2HG LYS 83 -9.099 0.309 -5.207 623 1HD LYS 83 1HD LYS 83 -9.075 -1.491 -6.800 624 2HD LYS 83 2HD LYS 83 -7.921 -1.843 -5.530 625 1HE LYS 83 1HE LYS 83 -9.561 -3.699 -6.414 626 2HE LYS 83 2HE LYS 83 -9.144 -3.606 -4.715 627 1HZ LYS 83 1HZ LYS 83 -11.184 -2.427 -4.328 628 2HZ LYS 83 2HZ LYS 83 -11.578 -2.515 -5.934 629 3HZ LYS 83 3HZ LYS 83 -11.486 -3.897 -5.027 630 H TYR 84 H TYR 84 -6.615 -0.319 -1.056 631 HA TYR 84 HA TYR 84 -8.198 0.816 1.148 632 1HB TYR 84 1HB TYR 84 -7.788 -1.488 1.408 633 2HB TYR 84 2HB TYR 84 -6.100 -1.304 0.974 634 HD1 TYR 84 1HD TYR 84 -4.548 -1.472 2.621 635 HD2 TYR 84 2HD TYR 84 -8.486 0.071 3.446 636 HE1 TYR 84 1HE TYR 84 -3.960 -1.226 5.026 637 HE2 TYR 84 2HE TYR 84 -7.833 0.520 5.802 638 HH TYR 84 HH TYR 84 -6.347 0.222 7.327 639 H ILE 85 H ILE 85 -6.159 2.032 -0.922 640 HA ILE 85 HA ILE 85 -4.945 3.808 1.013 641 HB ILE 85 HB ILE 85 -3.323 2.021 1.076 642 1HG1 ILE 85 1HG1 ILE 85 -1.533 3.665 -0.294 643 2HG1 ILE 85 2HG1 ILE 85 -2.809 4.726 0.269 644 1HG2 ILE 85 1HG2 ILE 85 -3.665 0.993 -1.136 645 2HG2 ILE 85 2HG2 ILE 85 -2.974 2.461 -1.912 646 3HG2 ILE 85 3HG2 ILE 85 -1.938 1.421 -0.874 647 1HD1 ILE 85 1HD1 ILE 85 -2.506 3.912 2.563 648 2HD1 ILE 85 2HD1 ILE 85 -1.197 2.823 1.986 649 3HD1 ILE 85 3HD1 ILE 85 -0.987 4.606 1.896 650 H ALA 86 H ALA 86 -4.395 2.855 -2.422 651 HA ALA 86 HA ALA 86 -4.236 5.502 -3.337 652 1HB ALA 86 1HB ALA 86 -3.420 3.601 -4.619 653 2HB ALA 86 2HB ALA 86 -5.100 2.982 -4.781 654 3HB ALA 86 3HB ALA 86 -4.631 4.527 -5.573 655 H GLU 87 H GLU 87 -7.051 3.282 -3.606 656 HA GLU 87 HA GLU 87 -8.782 5.471 -4.297 657 1HB GLU 87 1HB GLU 87 -8.965 2.843 -4.590 658 2HB GLU 87 2HB GLU 87 -9.917 3.018 -3.129 659 1HG GLU 87 1HG GLU 87 -11.640 3.537 -4.487 660 2HG GLU 87 2HG GLU 87 -10.836 5.073 -4.739 661 H ASP 88 H ASP 88 -7.945 3.922 -1.239 662 HA ASP 88 HA ASP 88 -10.025 5.018 0.367 663 1HB ASP 88 1HB ASP 88 -8.410 3.159 0.909 664 2HB ASP 88 2HB ASP 88 -7.212 4.401 1.211 665 H GLN 89 H GLN 89 -6.617 5.997 0.111 666 HA GLN 89 HA GLN 89 -6.815 8.468 1.396 667 1HB GLN 89 1HB GLN 89 -4.718 8.980 0.675 668 2HB GLN 89 2HB GLN 89 -4.693 7.234 0.544 669 1HG GLN 89 1HG GLN 89 -5.097 7.403 -1.876 670 2HG GLN 89 2HG GLN 89 -5.139 9.149 -1.752 671 1HE2 GLN 89 2HE2 GLN 89 -3.023 6.634 -0.339 672 2HE2 GLN 89 1HE2 GLN 89 -1.532 7.399 -0.837 673 H ILE 90 H ILE 90 -7.545 7.586 -1.993 674 HA ILE 90 HA ILE 90 -7.804 10.207 -2.976 675 HB ILE 90 HB ILE 90 -8.946 7.594 -3.726 676 1HG1 ILE 90 1HG1 ILE 90 -7.563 9.527 -5.505 677 2HG1 ILE 90 2HG1 ILE 90 -6.667 8.528 -4.379 678 1HG2 ILE 90 1HG2 ILE 90 -10.879 9.030 -4.088 679 2HG2 ILE 90 2HG2 ILE 90 -9.855 10.170 -5.028 680 3HG2 ILE 90 3HG2 ILE 90 -10.159 8.511 -5.652 681 1HD1 ILE 90 1HD1 ILE 90 -7.623 6.473 -5.407 682 2HD1 ILE 90 2HD1 ILE 90 -8.542 7.499 -6.563 683 3HD1 ILE 90 3HD1 ILE 90 -6.746 7.466 -6.623 684 H GLN 91 H GLN 91 -10.240 8.146 -1.368 685 HA GLN 91 HA GLN 91 -12.204 10.248 -1.386 686 1HB GLN 91 1HB GLN 91 -12.011 7.706 0.179 687 2HB GLN 91 2HB GLN 91 -13.403 8.770 0.192 688 1HG GLN 91 1HG GLN 91 -14.036 8.201 -1.924 689 2HG GLN 91 2HG GLN 91 -12.388 7.954 -2.464 690 1HE2 GLN 91 2HE2 GLN 91 -14.476 6.228 -3.179 691 2HE2 GLN 91 1HE2 GLN 91 -14.218 4.683 -2.402 692 H GLN 92 H GLN 92 -9.991 9.027 1.107 693 HA GLN 92 HA GLN 92 -10.930 10.664 3.205 694 1HB GLN 92 1HB GLN 92 -9.154 8.602 2.956 695 2HB GLN 92 2HB GLN 92 -8.093 9.954 3.296 696 1HG GLN 92 1HG GLN 92 -8.690 9.937 5.446 697 2HG GLN 92 2HG GLN 92 -10.376 10.120 5.004 698 1HE2 GLN 92 2HE2 GLN 92 -10.531 8.818 7.118 699 2HE2 GLN 92 1HE2 GLN 92 -10.528 7.078 6.932 700 H GLY 93 H GLY 93 -7.937 10.976 1.383 701 1HA GLY 93 1HA GLY 93 -7.288 13.615 2.060 702 2HA GLY 93 2HA GLY 93 -6.743 12.741 0.642 703 H GLN 94 H GLN 94 -7.000 15.315 0.288 704 HA GLN 94 HA GLN 94 -9.654 16.009 -0.636 705 1HB GLN 94 1HB GLN 94 -7.355 17.419 0.157 706 2HB GLN 94 2HB GLN 94 -7.691 17.888 -1.498 707 1HG GLN 94 1HG GLN 94 -9.920 18.523 -0.968 708 2HG GLN 94 2HG GLN 94 -9.844 17.742 0.599 709 1HE2 GLN 94 2HE2 GLN 94 -10.076 19.364 2.049 710 2HE2 GLN 94 1HE2 GLN 94 -9.065 20.790 2.100 711 H LEU 95 H LEU 95 -8.735 13.642 -2.015 712 HA LEU 95 HA LEU 95 -7.877 14.668 -4.637 713 1HB LEU 95 1HB LEU 95 -8.455 11.840 -3.871 714 2HB LEU 95 2HB LEU 95 -7.523 12.413 -5.239 715 HG LEU 95 HG LEU 95 -5.955 11.592 -3.715 716 1HD1 LEU 95 1HD1 LEU 95 -5.242 13.774 -4.597 717 2HD1 LEU 95 2HD1 LEU 95 -6.049 14.586 -3.210 718 3HD1 LEU 95 3HD1 LEU 95 -4.633 13.515 -2.925 719 1HD2 LEU 95 1HD2 LEU 95 -7.246 13.226 -1.541 720 2HD2 LEU 95 2HD2 LEU 95 -7.314 11.437 -1.709 721 3HD2 LEU 95 3HD2 LEU 95 -5.743 12.251 -1.388 722 H HIS 96 H HIS 96 -10.669 14.954 -3.202 723 HA HIS 96 HA HIS 96 -12.398 13.903 -5.334 724 1HB HIS 96 1HB HIS 96 -12.697 14.987 -2.610 725 2HB HIS 96 2HB HIS 96 -14.037 15.240 -3.711 726 HD1 HIS 96 1HD HIS 96 -15.759 13.501 -2.996 727 HD2 HIS 96 2HD HIS 96 -11.820 12.033 -3.385 728 HE1 HIS 96 1HE HIS 96 -15.890 10.951 -2.633 729 HE2 HIS 96 2HE HIS 96 -13.497 10.062 -2.961 730 H GLY 97 H GLY 97 -14.295 15.632 -5.797 731 1HA GLY 97 1HA GLY 97 -14.877 17.682 -6.738 732 2HA GLY 97 2HA GLY 97 -13.316 18.333 -6.282 733 H GLU 98 H GLU 98 -11.419 17.185 -7.514 734 HA GLU 98 HA GLU 98 -11.779 16.139 -10.110 735 1HB GLU 98 1HB GLU 98 -12.538 18.676 -10.237 736 2HB GLU 98 2HB GLU 98 -10.816 18.917 -10.452 737 1HG GLU 98 1HG GLU 98 -10.753 17.621 -12.403 738 2HG GLU 98 2HG GLU 98 -12.250 16.796 -12.014 739 H GLU 99 H GLU 99 -10.214 15.209 -8.221 740 HA GLU 99 HA GLU 99 -7.526 15.580 -9.222 741 1HB GLU 99 1HB GLU 99 -6.721 16.012 -6.768 742 2HB GLU 99 2HB GLU 99 -7.118 17.323 -7.861 743 1HG GLU 99 1HG GLU 99 -9.357 17.445 -6.830 744 2HG GLU 99 2HG GLU 99 -8.857 16.220 -5.680 745 H SER 100 H SER 100 -9.648 13.538 -8.808 746 HA SER 100 HA SER 100 -8.336 11.627 -7.006 747 1HB SER 100 1HB SER 100 -10.383 10.909 -6.637 748 2HB SER 100 2HB SER 100 -10.997 12.088 -7.779 749 HG SER 100 HG SER 100 -11.651 9.970 -8.271 750 H GLU 101 H GLU 101 -9.068 12.143 -10.418 751 HA GLU 101 HA GLU 101 -7.983 9.625 -11.287 752 1HB GLU 101 1HB GLU 101 -9.572 11.039 -12.569 753 2HB GLU 101 2HB GLU 101 -8.294 12.215 -12.795 754 1HG GLU 101 1HG GLU 101 -8.041 11.053 -14.749 755 2HG GLU 101 2HG GLU 101 -7.008 10.078 -13.724 756 H ARG 102 H ARG 102 -6.648 12.852 -10.656 757 HA ARG 102 HA ARG 102 -4.088 12.354 -11.805 758 1HB ARG 102 1HB ARG 102 -3.286 14.206 -10.556 759 2HB ARG 102 2HB ARG 102 -4.896 14.582 -11.135 760 1HG ARG 102 1HG ARG 102 -5.607 14.936 -9.064 761 2HG ARG 102 2HG ARG 102 -5.082 13.338 -8.574 762 1HD ARG 102 1HD ARG 102 -2.911 14.156 -8.023 763 2HD ARG 102 2HD ARG 102 -3.288 15.733 -8.687 764 HE ARG 102 HE ARG 102 -5.049 14.842 -6.538 765 1HH1 ARG 102 1HH2 ARG 102 -2.213 16.692 -7.352 766 2HH1 ARG 102 2HH2 ARG 102 -2.246 17.602 -5.858 767 1HH2 ARG 102 1HH1 ARG 102 -5.041 16.024 -4.608 768 2HH2 ARG 102 2HH1 ARG 102 -3.804 17.233 -4.349 769 H VAL 103 H VAL 103 -5.498 11.224 -8.813 770 HA VAL 103 HA VAL 103 -2.927 10.483 -7.664 771 HB VAL 103 HB VAL 103 -5.770 10.244 -6.858 772 1HG1 VAL 103 1HG1 VAL 103 -4.814 8.062 -6.294 773 2HG1 VAL 103 2HG1 VAL 103 -3.450 8.888 -5.463 774 3HG1 VAL 103 3HG1 VAL 103 -5.120 9.043 -4.818 775 1HG2 VAL 103 1HG2 VAL 103 -3.296 11.441 -5.569 776 2HG2 VAL 103 2HG2 VAL 103 -4.587 12.345 -6.434 777 3HG2 VAL 103 3HG2 VAL 103 -4.959 11.503 -4.890 778 H ALA 104 H ALA 104 -5.411 9.045 -9.649 779 HA ALA 104 HA ALA 104 -4.654 6.333 -9.339 780 1HB ALA 104 1HB ALA 104 -6.770 7.046 -10.345 781 2HB ALA 104 2HB ALA 104 -5.865 7.797 -11.705 782 3HB ALA 104 3HB ALA 104 -5.840 6.013 -11.485 783 H GLN 105 H GLN 105 -3.524 8.881 -11.574 784 HA GLN 105 HA GLN 105 -1.690 7.187 -12.967 785 1HB GLN 105 1HB GLN 105 -0.645 9.273 -13.760 786 2HB GLN 105 2HB GLN 105 -2.380 9.222 -14.004 787 1HG GLN 105 1HG GLN 105 -2.781 10.735 -12.278 788 2HG GLN 105 2HG GLN 105 -1.171 10.534 -11.616 789 1HE2 GLN 105 2HE2 GLN 105 -0.434 12.586 -11.580 790 2HE2 GLN 105 1HE2 GLN 105 -0.312 13.599 -13.002 791 H ARG 106 H ARG 106 -1.421 9.120 -10.053 792 HA ARG 106 HA ARG 106 1.391 9.142 -9.786 793 1HB ARG 106 1HB ARG 106 -0.785 9.196 -7.740 794 2HB ARG 106 2HB ARG 106 0.895 9.590 -7.435 795 1HG ARG 106 1HG ARG 106 -0.378 11.162 -9.525 796 2HG ARG 106 2HG ARG 106 -1.049 11.372 -7.921 797 1HD ARG 106 1HD ARG 106 1.821 11.448 -7.854 798 2HD ARG 106 2HD ARG 106 1.183 12.628 -8.982 799 HE ARG 106 HE ARG 106 -0.287 12.726 -6.535 800 1HH1 ARG 106 1HH2 ARG 106 2.809 13.638 -7.857 801 2HH1 ARG 106 2HH2 ARG 106 3.015 14.955 -6.725 802 1HH2 ARG 106 1HH1 ARG 106 0.010 14.419 -5.115 803 2HH2 ARG 106 2HH1 ARG 106 1.463 15.389 -5.205 804 H ALA 107 H ALA 107 -1.056 7.083 -8.127 805 HA ALA 107 HA ALA 107 0.898 5.393 -6.962 806 1HB ALA 107 1HB ALA 107 -1.404 5.554 -6.180 807 2HB ALA 107 2HB ALA 107 -1.975 4.838 -7.728 808 3HB ALA 107 3HB ALA 107 -0.986 3.854 -6.591 809 H GLY 108 H GLY 108 -0.834 5.248 -10.023 810 1HA GLY 108 1HA GLY 108 -0.001 2.916 -11.192 811 2HA GLY 108 2HA GLY 108 -0.263 4.423 -12.045 812 H GLU 109 H GLU 109 1.942 5.844 -10.773 813 HA GLU 109 HA GLU 109 4.110 5.177 -12.444 814 1HB GLU 109 1HB GLU 109 4.177 6.705 -9.851 815 2HB GLU 109 2HB GLU 109 5.410 6.734 -11.095 816 1HG GLU 109 1HG GLU 109 3.348 7.449 -12.600 817 2HG GLU 109 2HG GLU 109 2.732 8.007 -11.057 818 H ILE 110 H ILE 110 3.762 4.659 -8.949 819 HA ILE 110 HA ILE 110 6.143 3.042 -8.796 820 HB ILE 110 HB ILE 110 3.961 3.093 -6.763 821 1HG1 ILE 110 1HG1 ILE 110 4.156 5.393 -6.909 822 2HG1 ILE 110 2HG1 ILE 110 5.390 5.008 -5.726 823 1HG2 ILE 110 1HG2 ILE 110 5.795 1.531 -6.403 824 2HG2 ILE 110 2HG2 ILE 110 6.980 2.869 -6.603 825 3HG2 ILE 110 3HG2 ILE 110 5.861 2.862 -5.195 826 1HD1 ILE 110 1HD1 ILE 110 7.133 5.088 -7.484 827 2HD1 ILE 110 2HD1 ILE 110 5.867 5.483 -8.698 828 3HD1 ILE 110 3HD1 ILE 110 6.237 6.643 -7.375 829 H VAL 111 H VAL 111 2.778 2.470 -9.330 830 HA VAL 111 HA VAL 111 2.722 -0.307 -8.899 831 HB VAL 111 HB VAL 111 1.215 1.473 -10.698 832 1HG1 VAL 111 1HG1 VAL 111 1.176 -0.640 -11.848 833 2HG1 VAL 111 2HG1 VAL 111 0.675 -1.473 -10.335 834 3HG1 VAL 111 3HG1 VAL 111 -0.432 -0.296 -11.123 835 1HG2 VAL 111 1HG2 VAL 111 0.562 0.164 -8.054 836 2HG2 VAL 111 2HG2 VAL 111 0.903 1.902 -8.362 837 3HG2 VAL 111 3HG2 VAL 111 -0.588 1.147 -9.024 838 H SER 112 H SER 112 3.413 1.517 -11.905 839 HA SER 112 HA SER 112 4.038 -0.685 -13.512 840 1HB SER 112 1HB SER 112 5.001 0.804 -14.991 841 2HB SER 112 2HB SER 112 3.881 1.811 -14.096 842 HG SER 112 HG SER 112 5.948 2.771 -14.304 843 H SER 113 H SER 113 5.895 0.689 -10.918 844 HA SER 113 HA SER 113 8.391 -0.564 -11.542 845 1HB SER 113 1HB SER 113 7.957 1.403 -9.959 846 2HB SER 113 2HB SER 113 7.511 0.178 -8.787 847 HG SER 113 HG SER 113 9.766 0.669 -8.726 848 H CYS 114 H CYS 114 6.179 -1.258 -8.815 849 HA CYS 114 HA CYS 114 6.205 -4.111 -9.347 850 1HB CYS 114 1HB CYS 114 8.427 -3.629 -8.362 851 2HB CYS 114 2HB CYS 114 7.601 -3.085 -6.916 852 H GLY 115 H GLY 115 4.273 -2.066 -9.075 853 1HA GLY 115 1HA GLY 115 2.782 -3.020 -6.698 854 2HA GLY 115 2HA GLY 115 2.788 -1.334 -7.174 855 H VAL 116 H VAL 116 2.799 -3.901 -9.582 856 HA VAL 116 HA VAL 116 0.412 -3.041 -10.842 857 HB VAL 116 HB VAL 116 2.185 -5.399 -11.236 858 1HG1 VAL 116 1HG1 VAL 116 -0.039 -6.151 -11.930 859 2HG1 VAL 116 2HG1 VAL 116 -0.215 -4.675 -12.940 860 3HG1 VAL 116 3HG1 VAL 116 1.035 -5.901 -13.350 861 1HG2 VAL 116 1HG2 VAL 116 1.666 -2.898 -12.884 862 2HG2 VAL 116 2HG2 VAL 116 3.117 -3.226 -11.875 863 3HG2 VAL 116 3HG2 VAL 116 2.792 -4.226 -13.333 864 H ARG 117 H ARG 117 -0.837 -3.010 -8.762 865 HA ARG 117 HA ARG 117 -1.892 -5.683 -8.030 866 1HB ARG 117 1HB ARG 117 -1.839 -3.061 -6.611 867 2HB ARG 117 2HB ARG 117 -3.015 -4.286 -6.175 868 1HG ARG 117 1HG ARG 117 -1.219 -4.670 -4.739 869 2HG ARG 117 2HG ARG 117 -1.036 -5.873 -5.999 870 1HD ARG 117 1HD ARG 117 0.316 -3.330 -6.494 871 2HD ARG 117 2HD ARG 117 0.936 -4.254 -5.141 872 HE ARG 117 HE ARG 117 1.342 -4.794 -7.908 873 1HH1 ARG 117 1HH2 ARG 117 0.863 -6.507 -4.906 874 2HH1 ARG 117 2HH2 ARG 117 1.687 -7.934 -5.495 875 1HH2 ARG 117 1HH1 ARG 117 2.372 -6.656 -8.586 876 2HH2 ARG 117 2HH1 ARG 117 2.506 -8.014 -7.491 877 H CYS 118 H CYS 118 -3.441 -2.536 -7.799 878 HA CYS 118 HA CYS 118 -5.473 -3.506 -9.722 879 1HB CYS 118 1HB CYS 118 -5.741 -2.555 -7.096 880 2HB CYS 118 2HB CYS 118 -6.464 -1.367 -8.160 881 H MET 119 H MET 119 -2.934 -1.476 -9.521 882 HA MET 119 HA MET 119 -4.152 0.664 -11.145 883 1HB MET 119 1HB MET 119 -2.226 0.533 -9.155 884 2HB MET 119 2HB MET 119 -1.370 0.947 -10.626 885 1HG MET 119 1HG MET 119 -2.016 3.045 -10.352 886 2HG MET 119 2HG MET 119 -3.676 2.534 -10.577 887 1HE MET 119 1HE MET 119 -5.084 3.838 -9.015 888 2HE MET 119 2HE MET 119 -5.379 2.085 -8.752 889 3HE MET 119 3HE MET 119 -5.271 3.199 -7.345 890 H ARG 120 H ARG 120 -3.148 -2.248 -11.850 891 HA ARG 120 HA ARG 120 -2.407 -1.503 -14.546 892 1HB ARG 120 1HB ARG 120 -0.226 -1.464 -13.709 893 2HB ARG 120 2HB ARG 120 -0.496 -2.882 -12.716 894 1HG ARG 120 1HG ARG 120 0.866 -3.475 -14.633 895 2HG ARG 120 2HG ARG 120 -0.701 -4.249 -14.760 896 1HD ARG 120 1HD ARG 120 -1.075 -1.870 -16.066 897 2HD ARG 120 2HD ARG 120 0.559 -2.321 -16.513 898 HE ARG 120 HE ARG 120 -1.314 -4.523 -16.680 899 1HH1 ARG 120 1HH2 ARG 120 0.052 -1.797 -18.394 900 2HH1 ARG 120 2HH2 ARG 120 -0.373 -2.451 -19.960 901 1HH2 ARG 120 1HH1 ARG 120 -1.859 -5.291 -18.689 902 2HH2 ARG 120 2HH1 ARG 120 -1.430 -4.382 -20.120 903 H GLN 121 H GLN 121 -2.743 -4.117 -12.188 904 HA GLN 121 HA GLN 121 -4.215 -5.663 -14.210 905 1HB GLN 121 1HB GLN 121 -1.726 -6.381 -13.270 906 2HB GLN 121 2HB GLN 121 -2.825 -7.376 -12.339 907 1HG GLN 121 1HG GLN 121 -2.375 -8.628 -14.283 908 2HG GLN 121 2HG GLN 121 -3.960 -7.929 -14.547 909 1HE2 GLN 121 2HE2 GLN 121 -0.703 -8.131 -15.705 910 2HE2 GLN 121 1HE2 GLN 121 -0.887 -7.045 -17.065 911 H THR 122 H THR 122 -4.893 -7.777 -12.597 912 HA THR 122 HA THR 122 -6.960 -6.604 -10.863 913 HB THR 122 HB THR 122 -7.963 -8.812 -11.031 914 HG1 THR 122 1HG THR 122 -6.921 -10.397 -12.320 915 1HG2 THR 122 1HG2 THR 122 -8.365 -7.231 -12.893 916 2HG2 THR 122 2HG2 THR 122 -6.898 -7.862 -13.719 917 3HG2 THR 122 3HG2 THR 122 -8.322 -8.932 -13.474 918 H ARG 123 H ARG 123 -7.344 -8.853 -9.136 919 HA ARG 123 HA ARG 123 -5.930 -8.374 -6.895 920 1HB ARG 123 1HB ARG 123 -6.971 -10.943 -7.962 921 2HB ARG 123 2HB ARG 123 -6.142 -10.898 -6.419 922 1HG ARG 123 1HG ARG 123 -7.970 -10.128 -5.418 923 2HG ARG 123 2HG ARG 123 -8.044 -8.774 -6.528 924 1HD ARG 123 1HD ARG 123 -9.995 -9.725 -7.162 925 2HD ARG 123 2HD ARG 123 -8.955 -10.758 -8.119 926 HE ARG 123 HE ARG 123 -9.193 -11.886 -5.542 927 1HH1 ARG 123 1HH2 ARG 123 -11.161 -11.368 -8.381 928 2HH1 ARG 123 2HH2 ARG 123 -12.208 -12.723 -8.020 929 1HH2 ARG 123 1HH1 ARG 123 -10.590 -13.603 -5.122 930 2HH2 ARG 123 2HH1 ARG 123 -11.894 -13.946 -6.236 931 H THR 124 H THR 124 -4.926 -11.480 -8.186 932 HA THR 124 HA THR 124 -2.266 -11.332 -7.339 933 HB THR 124 HB THR 124 -3.141 -13.419 -7.836 934 HG1 THR 124 1HG THR 124 -1.707 -14.211 -9.424 935 1HG2 THR 124 1HG2 THR 124 -4.971 -12.801 -9.332 936 2HG2 THR 124 2HG2 THR 124 -3.789 -12.485 -10.649 937 3HG2 THR 124 3HG2 THR 124 -4.013 -14.156 -10.025 938 H ASN 125 H ASN 125 -0.274 -11.110 -8.499 939 HA ASN 125 HA ASN 125 -0.199 -9.057 -10.526 940 1HB ASN 125 1HB ASN 125 1.497 -9.152 -8.864 941 2HB ASN 125 2HB ASN 125 1.860 -10.823 -9.249 942 1HD2 ASN 125 2HD2 ASN 125 3.498 -11.221 -10.609 943 2HD2 ASN 125 1HD2 ASN 125 4.250 -10.022 -11.636 Start of MODEL 16 1 1H ALA 1 1H ALA 1 -38.025 1.798 -15.434 2 2H ALA 1 2H ALA 1 -37.741 0.876 -14.087 3 3H ALA 1 3H ALA 1 -39.285 1.346 -14.460 4 HA ALA 1 HA ALA 1 -38.712 3.630 -14.110 5 1HB ALA 1 1HB ALA 1 -39.656 2.345 -12.229 6 2HB ALA 1 2HB ALA 1 -37.999 1.810 -11.782 7 3HB ALA 1 3HB ALA 1 -38.447 3.548 -11.658 8 H GLU 2 H GLU 2 -37.157 5.182 -13.924 9 HA GLU 2 HA GLU 2 -34.451 4.572 -13.152 10 1HB GLU 2 1HB GLU 2 -35.145 4.367 -15.971 11 2HB GLU 2 2HB GLU 2 -33.884 5.547 -15.673 12 1HG GLU 2 1HG GLU 2 -32.367 3.954 -15.140 13 2HG GLU 2 2HG GLU 2 -33.520 3.061 -14.168 14 H PHE 3 H PHE 3 -33.427 6.361 -12.513 15 HA PHE 3 HA PHE 3 -34.135 8.990 -13.499 16 1HB PHE 3 1HB PHE 3 -35.414 7.859 -11.138 17 2HB PHE 3 2HB PHE 3 -34.585 9.365 -10.799 18 HD1 PHE 3 1HD PHE 3 -35.079 11.369 -12.356 19 HD2 PHE 3 2HD PHE 3 -37.565 7.868 -12.042 20 HE1 PHE 3 1HE PHE 3 -37.010 12.652 -13.290 21 HE2 PHE 3 2HE PHE 3 -39.489 9.150 -12.992 22 HZ PHE 3 HZ PHE 3 -39.210 11.540 -13.607 23 H MET 4 H MET 4 -32.897 10.682 -12.325 24 HA MET 4 HA MET 4 -30.208 10.264 -12.137 25 1HB MET 4 1HB MET 4 -32.022 12.322 -11.374 26 2HB MET 4 2HB MET 4 -30.834 12.131 -10.100 27 1HG MET 4 1HG MET 4 -30.032 13.753 -11.711 28 2HG MET 4 2HG MET 4 -29.036 12.313 -11.789 29 1HE MET 4 1HE MET 4 -29.129 14.585 -14.026 30 2HE MET 4 2HE MET 4 -28.079 13.129 -14.115 31 3HE MET 4 3HE MET 4 -29.123 13.572 -15.511 32 H GLU 5 H GLU 5 -28.661 10.108 -10.453 33 HA GLU 5 HA GLU 5 -29.529 8.220 -8.397 34 1HB GLU 5 1HB GLU 5 -27.203 7.882 -7.979 35 2HB GLU 5 2HB GLU 5 -27.451 7.902 -9.713 36 1HG GLU 5 1HG GLU 5 -26.840 10.389 -9.599 37 2HG GLU 5 2HG GLU 5 -26.253 10.050 -7.984 38 H SER 6 H SER 6 -28.313 8.539 -6.206 39 HA SER 6 HA SER 6 -27.672 10.948 -5.067 40 1HB SER 6 1HB SER 6 -30.508 10.895 -5.643 41 2HB SER 6 2HB SER 6 -30.225 11.022 -3.919 42 HG SER 6 HG SER 6 -30.227 13.083 -4.961 43 H LYS 7 H LYS 7 -26.449 9.823 -3.678 44 HA LYS 7 HA LYS 7 -27.826 8.488 -1.492 45 1HB LYS 7 1HB LYS 7 -26.325 7.045 -3.545 46 2HB LYS 7 2HB LYS 7 -25.861 6.649 -1.903 47 1HG LYS 7 1HG LYS 7 -28.667 6.558 -3.012 48 2HG LYS 7 2HG LYS 7 -27.653 5.168 -2.684 49 1HD LYS 7 1HD LYS 7 -28.419 5.122 -0.583 50 2HD LYS 7 2HD LYS 7 -27.741 6.715 -0.311 51 1HE LYS 7 1HE LYS 7 -29.870 7.380 0.025 52 2HE LYS 7 2HE LYS 7 -30.043 7.274 -1.715 53 1HZ LYS 7 1HZ LYS 7 -30.778 5.025 -1.457 54 2HZ LYS 7 2HZ LYS 7 -30.614 5.125 0.189 55 3HZ LYS 7 3HZ LYS 7 -31.745 6.052 -0.589 56 H GLY 8 H GLY 8 -25.811 7.523 -0.037 57 1HA GLY 8 1HA GLY 8 -24.220 9.949 0.545 58 2HA GLY 8 2HA GLY 8 -24.555 8.639 1.659 59 H GLU 9 H GLU 9 -22.996 7.220 2.021 60 HA GLU 9 HA GLU 9 -21.192 6.363 -0.078 61 1HB GLU 9 1HB GLU 9 -20.408 8.628 1.321 62 2HB GLU 9 2HB GLU 9 -19.551 7.323 2.117 63 1HG GLU 9 1HG GLU 9 -18.736 6.550 -0.100 64 2HG GLU 9 2HG GLU 9 -19.529 7.925 -0.844 65 H ARG 10 H ARG 10 -19.895 4.568 0.549 66 HA ARG 10 HA ARG 10 -20.097 3.515 3.245 67 1HB ARG 10 1HB ARG 10 -22.227 2.887 1.694 68 2HB ARG 10 2HB ARG 10 -21.125 1.607 1.231 69 1HG ARG 10 1HG ARG 10 -20.946 0.819 3.463 70 2HG ARG 10 2HG ARG 10 -21.694 2.265 4.110 71 1HD ARG 10 1HD ARG 10 -23.260 0.645 2.176 72 2HD ARG 10 2HD ARG 10 -23.065 0.014 3.798 73 HE ARG 10 HE ARG 10 -24.623 2.352 2.986 74 1HH1 ARG 10 1HH2 ARG 10 -23.165 0.649 5.687 75 2HH1 ARG 10 2HH2 ARG 10 -24.177 1.454 6.866 76 1HH2 ARG 10 1HH1 ARG 10 -25.889 3.369 4.553 77 2HH2 ARG 10 2HH1 ARG 10 -25.681 2.956 6.240 78 H GLU 11 H GLU 11 -18.853 1.549 3.501 79 HA GLU 11 HA GLU 11 -17.118 0.816 1.234 80 1HB GLU 11 1HB GLU 11 -16.277 2.541 3.289 81 2HB GLU 11 2HB GLU 11 -15.539 0.989 3.630 82 1HG GLU 11 1HG GLU 11 -14.008 2.094 2.210 83 2HG GLU 11 2HG GLU 11 -14.843 0.949 1.179 84 H GLY 12 H GLY 12 -15.780 -1.124 1.720 85 1HA GLY 12 1HA GLY 12 -15.659 -2.936 3.547 86 2HA GLY 12 2HA GLY 12 -17.399 -2.994 3.351 87 H SER 13 H SER 13 -14.339 -3.968 2.123 88 HA SER 13 HA SER 13 -15.428 -6.063 0.544 89 1HB SER 13 1HB SER 13 -15.846 -3.847 -0.886 90 2HB SER 13 2HB SER 13 -14.148 -4.052 -1.269 91 HG SER 13 HG SER 13 -15.522 -5.185 -2.743 92 H SER 14 H SER 14 -13.808 -7.357 1.430 93 HA SER 14 HA SER 14 -11.201 -7.260 0.282 94 1HB SER 14 1HB SER 14 -10.812 -5.473 1.828 95 2HB SER 14 2HB SER 14 -11.402 -6.457 3.152 96 HG SER 14 HG SER 14 -9.137 -6.224 3.175 97 H SER 15 H SER 15 -9.932 -8.624 2.492 98 HA SER 15 HA SER 15 -11.122 -11.244 2.216 99 1HB SER 15 1HB SER 15 -8.565 -10.403 2.263 100 2HB SER 15 2HB SER 15 -8.766 -10.818 3.954 101 HG SER 15 HG SER 15 -8.176 -12.659 2.664 102 H GLN 16 H GLN 16 -10.089 -12.216 4.744 103 HA GLN 16 HA GLN 16 -12.423 -11.832 6.341 104 1HB GLN 16 1HB GLN 16 -10.695 -13.827 6.144 105 2HB GLN 16 2HB GLN 16 -9.930 -12.989 7.479 106 1HG GLN 16 1HG GLN 16 -11.407 -14.336 8.634 107 2HG GLN 16 2HG GLN 16 -12.388 -12.899 8.419 108 1HE2 GLN 16 2HE2 GLN 16 -14.129 -14.500 8.832 109 2HE2 GLN 16 1HE2 GLN 16 -14.773 -15.374 7.461 110 H GLN 17 H GLN 17 -9.027 -10.915 6.804 111 HA GLN 17 HA GLN 17 -9.755 -8.482 8.176 112 1HB GLN 17 1HB GLN 17 -8.230 -9.284 10.169 113 2HB GLN 17 2HB GLN 17 -9.955 -9.589 10.164 114 1HG GLN 17 1HG GLN 17 -9.699 -11.831 9.890 115 2HG GLN 17 2HG GLN 17 -8.262 -11.653 8.902 116 1HE2 GLN 17 2HE2 GLN 17 -9.440 -12.643 11.838 117 2HE2 GLN 17 1HE2 GLN 17 -7.944 -12.659 12.745 118 H CYS 18 H CYS 18 -8.493 -9.004 5.799 119 HA CYS 18 HA CYS 18 -5.635 -8.887 6.255 120 1HB CYS 18 1HB CYS 18 -7.177 -9.543 4.070 121 2HB CYS 18 2HB CYS 18 -6.491 -7.988 3.644 122 H ARG 19 H ARG 19 -8.023 -6.613 4.819 123 HA ARG 19 HA ARG 19 -7.087 -4.273 4.491 124 1HB ARG 19 1HB ARG 19 -8.674 -3.315 6.415 125 2HB ARG 19 2HB ARG 19 -9.278 -3.936 4.893 126 1HG ARG 19 1HG ARG 19 -8.895 -5.871 7.127 127 2HG ARG 19 2HG ARG 19 -10.264 -4.780 7.212 128 1HD ARG 19 1HD ARG 19 -9.929 -5.972 4.576 129 2HD ARG 19 2HD ARG 19 -10.203 -7.163 5.831 130 HE ARG 19 HE ARG 19 -12.335 -6.297 6.222 131 1HH1 ARG 19 1HH2 ARG 19 -10.714 -4.339 3.782 132 2HH1 ARG 19 2HH2 ARG 19 -12.196 -3.533 3.323 133 1HH2 ARG 19 1HH1 ARG 19 -14.181 -5.218 5.582 134 2HH2 ARG 19 2HH1 ARG 19 -14.105 -4.016 4.314 135 H GLN 20 H GLN 20 -7.506 -4.890 7.983 136 HA GLN 20 HA GLN 20 -5.726 -3.119 8.996 137 1HB GLN 20 1HB GLN 20 -5.231 -4.897 10.776 138 2HB GLN 20 2HB GLN 20 -6.851 -4.253 10.610 139 1HG GLN 20 1HG GLN 20 -7.695 -6.239 9.999 140 2HG GLN 20 2HG GLN 20 -6.367 -6.558 8.901 141 1HE2 GLN 20 2HE2 GLN 20 -4.167 -6.656 10.464 142 2HE2 GLN 20 1HE2 GLN 20 -4.309 -7.914 11.672 143 H GLU 21 H GLU 21 -4.510 -6.489 8.823 144 HA GLU 21 HA GLU 21 -1.840 -5.776 8.812 145 1HB GLU 21 1HB GLU 21 -1.357 -7.963 8.411 146 2HB GLU 21 2HB GLU 21 -2.982 -8.062 9.056 147 1HG GLU 21 1HG GLU 21 -3.726 -7.957 6.593 148 2HG GLU 21 2HG GLU 21 -2.064 -8.380 6.232 149 H VAL 22 H VAL 22 -4.015 -5.619 6.188 150 HA VAL 22 HA VAL 22 -2.186 -5.608 4.039 151 HB VAL 22 HB VAL 22 -5.021 -4.770 4.382 152 1HG1 VAL 22 1HG1 VAL 22 -4.129 -3.095 2.881 153 2HG1 VAL 22 2HG1 VAL 22 -3.444 -4.402 1.853 154 3HG1 VAL 22 3HG1 VAL 22 -5.225 -4.240 2.032 155 1HG2 VAL 22 1HG2 VAL 22 -3.623 -6.794 2.642 156 2HG2 VAL 22 2HG2 VAL 22 -4.533 -7.123 4.158 157 3HG2 VAL 22 3HG2 VAL 22 -5.398 -6.516 2.703 158 H GLN 23 H GLN 23 -3.890 -2.913 5.735 159 HA GLN 23 HA GLN 23 -2.320 -0.929 4.439 160 1HB GLN 23 1HB GLN 23 -3.503 0.621 5.741 161 2HB GLN 23 2HB GLN 23 -4.621 -0.677 5.368 162 1HG GLN 23 1HG GLN 23 -3.448 -1.409 7.783 163 2HG GLN 23 2HG GLN 23 -3.738 0.313 7.928 164 1HE2 GLN 23 2HE2 GLN 23 -5.066 -0.563 9.732 165 2HE2 GLN 23 1HE2 GLN 23 -6.726 -0.984 9.378 166 H ARG 24 H ARG 24 -0.436 -2.620 5.346 167 HA ARG 24 HA ARG 24 1.112 -1.030 7.207 168 1HB ARG 24 1HB ARG 24 0.446 -3.905 7.774 169 2HB ARG 24 2HB ARG 24 1.608 -2.934 8.655 170 1HG ARG 24 1HG ARG 24 -0.311 -1.343 9.134 171 2HG ARG 24 2HG ARG 24 -1.371 -2.606 8.542 172 1HD ARG 24 1HD ARG 24 0.479 -2.762 10.892 173 2HD ARG 24 2HD ARG 24 -1.272 -2.714 10.929 174 HE ARG 24 HE ARG 24 -0.118 -4.928 9.419 175 1HH1 ARG 24 1HH2 ARG 24 -1.317 -3.910 12.533 176 2HH1 ARG 24 2HH2 ARG 24 -1.663 -5.546 13.047 177 1HH2 ARG 24 1HH1 ARG 24 -0.598 -7.011 10.098 178 2HH2 ARG 24 2HH1 ARG 24 -1.263 -7.269 11.695 179 H LYS 25 H LYS 25 0.831 -4.030 5.392 180 HA LYS 25 HA LYS 25 3.659 -3.719 4.598 181 1HB LYS 25 1HB LYS 25 3.738 -6.112 4.301 182 2HB LYS 25 2HB LYS 25 3.276 -5.700 5.940 183 1HG LYS 25 1HG LYS 25 0.928 -6.125 5.360 184 2HG LYS 25 2HG LYS 25 1.430 -6.598 3.750 185 1HD LYS 25 1HD LYS 25 1.718 -8.676 4.480 186 2HD LYS 25 2HD LYS 25 2.984 -8.101 5.547 187 1HE LYS 25 1HE LYS 25 1.136 -7.521 7.186 188 2HE LYS 25 2HE LYS 25 0.072 -8.463 6.161 189 1HZ LYS 25 1HZ LYS 25 1.523 -10.329 6.451 190 2HZ LYS 25 2HZ LYS 25 2.529 -9.439 7.419 191 3HZ LYS 25 3HZ LYS 25 0.989 -9.781 7.919 192 H ASP 26 H ASP 26 0.379 -4.280 3.514 193 HA ASP 26 HA ASP 26 0.784 -4.843 0.842 194 1HB ASP 26 1HB ASP 26 -1.395 -4.353 0.515 195 2HB ASP 26 2HB ASP 26 -1.369 -4.571 2.253 196 H LEU 27 H LEU 27 -0.395 -2.904 -0.734 197 HA LEU 27 HA LEU 27 1.627 -1.114 -1.319 198 1HB LEU 27 1HB LEU 27 -1.317 -0.886 -1.729 199 2HB LEU 27 2HB LEU 27 -0.133 0.172 -2.470 200 HG LEU 27 HG LEU 27 -0.556 -1.334 -4.109 201 1HD1 LEU 27 1HD1 LEU 27 1.821 -1.209 -3.832 202 2HD1 LEU 27 2HD1 LEU 27 1.763 -2.576 -2.666 203 3HD1 LEU 27 3HD1 LEU 27 1.326 -2.844 -4.389 204 1HD2 LEU 27 1HD2 LEU 27 -0.584 -3.570 -2.092 205 2HD2 LEU 27 2HD2 LEU 27 -2.005 -2.840 -2.919 206 3HD2 LEU 27 3HD2 LEU 27 -0.784 -3.758 -3.869 207 H SER 28 H SER 28 2.479 -0.320 0.665 208 HA SER 28 HA SER 28 1.024 1.959 1.798 209 1HB SER 28 1HB SER 28 0.987 -0.145 3.301 210 2HB SER 28 2HB SER 28 2.689 0.191 3.556 211 HG SER 28 HG SER 28 1.340 1.263 5.118 212 H SER 29 H SER 29 2.679 2.209 -0.257 213 HA SER 29 HA SER 29 4.646 3.984 0.741 214 1HB SER 29 1HB SER 29 5.833 1.885 1.292 215 2HB SER 29 2HB SER 29 5.750 1.428 -0.398 216 HG SER 29 HG SER 29 7.753 2.433 0.142 217 H CYS 30 H CYS 30 3.566 1.872 -1.901 218 HA CYS 30 HA CYS 30 4.739 3.319 -4.024 219 1HB CYS 30 1HB CYS 30 2.085 1.955 -4.202 220 2HB CYS 30 2HB CYS 30 3.331 2.087 -5.427 221 H GLU 31 H GLU 31 1.402 3.468 -2.732 222 HA GLU 31 HA GLU 31 0.805 5.860 -4.220 223 1HB GLU 31 1HB GLU 31 -0.587 4.039 -2.565 224 2HB GLU 31 2HB GLU 31 -0.819 5.645 -1.903 225 1HG GLU 31 1HG GLU 31 -2.467 5.806 -3.421 226 2HG GLU 31 2HG GLU 31 -1.168 6.097 -4.562 227 H ARG 32 H ARG 32 2.110 5.165 -1.024 228 HA ARG 32 HA ARG 32 1.804 7.776 0.045 229 1HB ARG 32 1HB ARG 32 2.488 5.570 1.210 230 2HB ARG 32 2HB ARG 32 4.113 6.020 0.732 231 1HG ARG 32 1HG ARG 32 3.646 8.282 1.823 232 2HG ARG 32 2HG ARG 32 2.229 7.532 2.530 233 1HD ARG 32 1HD ARG 32 4.078 7.432 4.092 234 2HD ARG 32 2HD ARG 32 3.672 5.817 3.547 235 HE ARG 32 HE ARG 32 5.651 6.675 1.805 236 1HH1 ARG 32 1HH2 ARG 32 5.426 6.130 5.261 237 2HH1 ARG 32 2HH2 ARG 32 7.144 5.833 5.413 238 1HH2 ARG 32 1HH1 ARG 32 7.815 6.332 2.073 239 2HH2 ARG 32 2HH1 ARG 32 8.459 5.945 3.653 240 H TYR 33 H TYR 33 4.241 6.329 -2.015 241 HA TYR 33 HA TYR 33 6.361 8.096 -1.844 242 1HB TYR 33 1HB TYR 33 6.388 6.031 -3.115 243 2HB TYR 33 2HB TYR 33 5.197 6.679 -4.225 244 HD1 TYR 33 1HD TYR 33 5.942 7.388 -6.264 245 HD2 TYR 33 2HD TYR 33 8.531 7.686 -2.839 246 HE1 TYR 33 1HE TYR 33 7.784 8.146 -7.753 247 HE2 TYR 33 2HE TYR 33 10.289 8.679 -4.305 248 HH TYR 33 HH TYR 33 10.912 9.107 -6.404 249 H LEU 34 H LEU 34 3.604 8.196 -4.147 250 HA LEU 34 HA LEU 34 4.330 10.858 -5.002 251 1HB LEU 34 1HB LEU 34 2.286 10.730 -6.309 252 2HB LEU 34 2HB LEU 34 3.315 9.327 -6.526 253 HG LEU 34 HG LEU 34 1.726 8.425 -4.591 254 1HD1 LEU 34 1HD1 LEU 34 0.319 10.394 -4.407 255 2HD1 LEU 34 2HD1 LEU 34 -0.085 10.284 -6.156 256 3HD1 LEU 34 3HD1 LEU 34 -0.637 9.001 -5.023 257 1HD2 LEU 34 1HD2 LEU 34 1.148 8.308 -7.541 258 2HD2 LEU 34 2HD2 LEU 34 2.244 7.234 -6.604 259 3HD2 LEU 34 3HD2 LEU 34 0.472 7.197 -6.301 260 H ARG 35 H ARG 35 2.354 9.514 -2.501 261 HA ARG 35 HA ARG 35 0.925 11.970 -1.954 262 1HB ARG 35 1HB ARG 35 0.325 9.472 -1.367 263 2HB ARG 35 2HB ARG 35 1.219 9.846 0.093 264 1HG ARG 35 1HG ARG 35 -0.343 12.021 -0.017 265 2HG ARG 35 2HG ARG 35 -1.392 10.883 -0.840 266 1HD ARG 35 1HD ARG 35 -2.011 10.579 1.367 267 2HD ARG 35 2HD ARG 35 -0.811 9.321 1.159 268 HE ARG 35 HE ARG 35 0.685 11.436 2.032 269 1HH1 ARG 35 1HH2 ARG 35 -2.178 9.861 3.311 270 2HH1 ARG 35 2HH2 ARG 35 -1.792 10.280 4.965 271 1HH2 ARG 35 1HH1 ARG 35 1.128 11.965 4.176 272 2HH2 ARG 35 2HH1 ARG 35 0.041 11.447 5.445 273 H GLN 36 H GLN 36 4.087 11.197 -1.573 274 HA GLN 36 HA GLN 36 4.540 13.247 0.399 275 1HB GLN 36 1HB GLN 36 4.187 10.785 1.467 276 2HB GLN 36 2HB GLN 36 5.916 10.771 1.185 277 1HG GLN 36 1HG GLN 36 5.903 13.125 2.271 278 2HG GLN 36 2HG GLN 36 4.314 12.688 2.866 279 1HE2 GLN 36 2HE2 GLN 36 7.646 11.412 2.654 280 2HE2 GLN 36 1HE2 GLN 36 7.624 10.613 4.210 281 H SER 37 H SER 37 7.212 12.530 0.999 282 HA SER 37 HA SER 37 8.452 13.199 -1.560 283 1HB SER 37 1HB SER 37 8.875 14.192 0.866 284 2HB SER 37 2HB SER 37 10.045 12.888 0.914 285 HG SER 37 HG SER 37 10.933 14.830 0.029 286 H SER 38 H SER 38 11.027 12.123 -0.881 287 HA SER 38 HA SER 38 10.702 9.430 -1.859 288 1HB SER 38 1HB SER 38 13.220 9.421 -1.599 289 2HB SER 38 2HB SER 38 12.538 10.567 -2.735 290 HG SER 38 HG SER 38 14.155 11.508 -1.406 291 H SER 39 H SER 39 10.096 7.815 -0.611 292 HA SER 39 HA SER 39 9.961 7.641 2.102 293 1HB SER 39 1HB SER 39 9.233 5.909 0.409 294 2HB SER 39 2HB SER 39 10.884 5.323 0.422 295 HG SER 39 HG SER 39 9.552 4.219 1.951 296 H ARG 40 H ARG 40 11.271 7.432 3.831 297 HA ARG 40 HA ARG 40 14.061 6.621 3.431 298 1HB ARG 40 1HB ARG 40 13.713 9.228 3.171 299 2HB ARG 40 2HB ARG 40 13.685 9.174 4.922 300 1HG ARG 40 1HG ARG 40 15.844 7.950 4.891 301 2HG ARG 40 2HG ARG 40 15.879 8.098 3.145 302 1HD ARG 40 1HD ARG 40 15.897 10.524 3.330 303 2HD ARG 40 2HD ARG 40 15.795 10.406 5.075 304 HE ARG 40 HE ARG 40 18.045 8.925 4.179 305 1HH1 ARG 40 1HH2 ARG 40 17.017 12.252 4.516 306 2HH1 ARG 40 2HH2 ARG 40 18.653 12.847 4.689 307 1HH2 ARG 40 1HH1 ARG 40 20.134 9.731 4.405 308 2HH2 ARG 40 2HH1 ARG 40 20.384 11.449 4.627 309 H ARG 41 H ARG 41 12.862 4.850 4.608 310 HA ARG 41 HA ARG 41 13.667 4.851 7.326 311 1HB ARG 41 1HB ARG 41 11.410 6.317 7.179 312 2HB ARG 41 2HB ARG 41 10.702 4.718 7.294 313 1HG ARG 41 1HG ARG 41 11.769 4.287 9.368 314 2HG ARG 41 2HG ARG 41 12.843 5.659 9.184 315 1HD ARG 41 1HD ARG 41 10.604 7.027 9.120 316 2HD ARG 41 2HD ARG 41 9.951 5.617 9.929 317 HE ARG 41 HE ARG 41 11.697 7.618 11.059 318 1HH1 ARG 41 1HH2 ARG 41 10.794 4.245 11.304 319 2HH1 ARG 41 2HH2 ARG 41 11.341 4.110 12.961 320 1HH2 ARG 41 1HH1 ARG 41 12.406 7.399 13.185 321 2HH2 ARG 41 2HH1 ARG 41 12.237 5.863 14.005 322 H SER 42 H SER 42 13.997 2.788 7.851 323 HA SER 42 HA SER 42 12.141 0.699 7.264 324 1HB SER 42 1HB SER 42 13.682 1.311 5.064 325 2HB SER 42 2HB SER 42 14.579 0.008 5.816 326 HG SER 42 HG SER 42 12.948 -0.766 4.377 327 H THR 43 H THR 43 12.630 -1.163 8.364 328 HA THR 43 HA THR 43 14.626 -0.867 10.438 329 HB THR 43 HB THR 43 12.810 -3.189 9.806 330 HG1 THR 43 1HG THR 43 11.519 -2.084 11.385 331 1HG2 THR 43 1HG2 THR 43 14.632 -3.733 11.447 332 2HG2 THR 43 2HG2 THR 43 14.101 -2.319 12.423 333 3HG2 THR 43 3HG2 THR 43 12.997 -3.719 12.193 334 H GLY 44 H GLY 44 16.444 -2.132 10.827 335 1HA GLY 44 1HA GLY 44 17.876 -4.003 10.130 336 2HA GLY 44 2HA GLY 44 17.469 -3.625 8.469 337 H GLU 45 H GLU 45 19.888 -3.465 10.623 338 HA GLU 45 HA GLU 45 20.876 -0.810 10.333 339 1HB GLU 45 1HB GLU 45 21.652 -3.127 11.679 340 2HB GLU 45 2HB GLU 45 22.981 -2.764 10.596 341 1HG GLU 45 1HG GLU 45 23.056 -0.465 11.457 342 2HG GLU 45 2HG GLU 45 21.724 -0.825 12.537 343 H GLU 46 H GLU 46 21.666 -3.819 8.598 344 HA GLU 46 HA GLU 46 23.152 -2.301 6.591 345 1HB GLU 46 1HB GLU 46 23.652 -4.711 7.672 346 2HB GLU 46 2HB GLU 46 22.786 -5.199 6.229 347 1HG GLU 46 1HG GLU 46 24.347 -4.104 4.802 348 2HG GLU 46 2HG GLU 46 25.060 -3.223 6.138 349 H VAL 47 H VAL 47 20.851 -1.254 6.336 350 HA VAL 47 HA VAL 47 19.256 -2.793 4.424 351 HB VAL 47 HB VAL 47 18.387 -1.361 6.339 352 1HG1 VAL 47 1HG1 VAL 47 19.589 0.702 5.873 353 2HG1 VAL 47 2HG1 VAL 47 18.791 0.812 4.265 354 3HG1 VAL 47 3HG1 VAL 47 17.814 0.970 5.767 355 1HG2 VAL 47 1HG2 VAL 47 17.150 -1.185 3.582 356 2HG2 VAL 47 2HG2 VAL 47 16.932 -2.511 4.775 357 3HG2 VAL 47 3HG2 VAL 47 16.294 -0.869 5.131 358 H LEU 48 H LEU 48 22.005 -1.832 3.839 359 HA LEU 48 HA LEU 48 21.359 -0.338 1.376 360 1HB LEU 48 1HB LEU 48 23.708 0.032 3.204 361 2HB LEU 48 2HB LEU 48 23.575 0.756 1.615 362 HG LEU 48 HG LEU 48 21.217 1.394 3.061 363 1HD1 LEU 48 1HD1 LEU 48 22.467 0.921 5.118 364 2HD1 LEU 48 2HD1 LEU 48 23.777 2.025 4.571 365 3HD1 LEU 48 3HD1 LEU 48 22.147 2.682 4.955 366 1HD2 LEU 48 1HD2 LEU 48 23.586 3.107 2.239 367 2HD2 LEU 48 2HD2 LEU 48 22.156 2.720 1.221 368 3HD2 LEU 48 3HD2 LEU 48 21.961 3.722 2.701 369 H ARG 49 H ARG 49 21.159 -2.974 1.292 370 HA ARG 49 HA ARG 49 23.596 -4.328 0.710 371 1HB ARG 49 1HB ARG 49 20.923 -5.047 0.907 372 2HB ARG 49 2HB ARG 49 21.318 -5.336 -0.775 373 1HG ARG 49 1HG ARG 49 23.500 -6.291 0.748 374 2HG ARG 49 2HG ARG 49 22.047 -6.884 1.527 375 1HD ARG 49 1HD ARG 49 21.570 -8.291 -0.164 376 2HD ARG 49 2HD ARG 49 22.028 -7.126 -1.389 377 HE ARG 49 HE ARG 49 24.403 -7.960 -0.166 378 1HH1 ARG 49 1HH2 ARG 49 21.850 -9.460 -2.043 379 2HH1 ARG 49 2HH2 ARG 49 22.919 -10.674 -2.711 380 1HH2 ARG 49 1HH1 ARG 49 25.738 -9.523 -1.051 381 2HH2 ARG 49 2HH1 ARG 49 25.086 -10.710 -2.159 382 H MET 50 H MET 50 24.322 -5.106 -1.350 383 HA MET 50 HA MET 50 24.969 -3.237 -3.212 384 1HB MET 50 1HB MET 50 24.479 -6.170 -3.512 385 2HB MET 50 2HB MET 50 25.040 -5.196 -4.856 386 1HG MET 50 1HG MET 50 26.577 -4.664 -2.474 387 2HG MET 50 2HG MET 50 26.604 -6.370 -2.873 388 1HE MET 50 1HE MET 50 27.575 -7.428 -4.969 389 2HE MET 50 2HE MET 50 26.353 -6.515 -5.921 390 3HE MET 50 3HE MET 50 28.079 -6.498 -6.422 391 HA PRO 51 HA PRO 51 21.422 -2.173 -5.452 392 1HB PRO 51 1HB PRO 51 22.564 -1.345 -7.814 393 2HB PRO 51 2HB PRO 51 22.439 -0.370 -6.363 394 1HG PRO 51 1HG PRO 51 24.823 -1.646 -7.527 395 2HG PRO 51 2HG PRO 51 24.736 -0.355 -6.345 396 1HD PRO 51 1HD PRO 51 25.282 -3.104 -5.858 397 2HD PRO 51 2HD PRO 51 25.094 -1.831 -4.667 398 H GLY 52 H GLY 52 19.996 -3.538 -6.249 399 1HA GLY 52 1HA GLY 52 19.038 -4.783 -7.993 400 2HA GLY 52 2HA GLY 52 20.629 -5.089 -8.660 401 H ASP 53 H ASP 53 18.212 -6.060 -6.375 402 HA ASP 53 HA ASP 53 18.915 -8.771 -6.310 403 1HB ASP 53 1HB ASP 53 20.472 -7.092 -4.475 404 2HB ASP 53 2HB ASP 53 19.636 -8.412 -3.684 405 H GLU 54 H GLU 54 18.018 -6.156 -4.068 406 HA GLU 54 HA GLU 54 15.606 -7.691 -3.330 407 1HB GLU 54 1HB GLU 54 17.478 -6.060 -1.781 408 2HB GLU 54 2HB GLU 54 15.788 -5.768 -1.421 409 1HG GLU 54 1HG GLU 54 16.399 -8.606 -1.661 410 2HG GLU 54 2HG GLU 54 17.328 -7.827 -0.396 411 H ASN 55 H ASN 55 15.534 -6.407 -5.752 412 HA ASN 55 HA ASN 55 13.212 -4.822 -5.516 413 1HB ASN 55 1HB ASN 55 13.994 -2.618 -6.068 414 2HB ASN 55 2HB ASN 55 14.886 -3.135 -4.653 415 1HD2 ASN 55 2HD2 ASN 55 17.076 -3.191 -4.722 416 2HD2 ASN 55 1HD2 ASN 55 18.025 -2.943 -6.170 417 H GLN 56 H GLN 56 12.593 -3.875 -7.654 418 HA GLN 56 HA GLN 56 13.034 -5.651 -9.777 419 1HB GLN 56 1HB GLN 56 11.759 -3.038 -9.427 420 2HB GLN 56 2HB GLN 56 12.290 -3.383 -11.061 421 1HG GLN 56 1HG GLN 56 10.890 -5.581 -9.678 422 2HG GLN 56 2HG GLN 56 9.909 -4.184 -10.074 423 1HE2 GLN 56 2HE2 GLN 56 11.688 -6.906 -11.311 424 2HE2 GLN 56 1HE2 GLN 56 11.222 -6.727 -12.988 425 H GLN 57 H GLN 57 13.972 -2.268 -10.136 426 HA GLN 57 HA GLN 57 16.599 -3.157 -11.155 427 1HB GLN 57 1HB GLN 57 14.652 -2.282 -12.793 428 2HB GLN 57 2HB GLN 57 15.416 -0.759 -12.384 429 1HG GLN 57 1HG GLN 57 17.439 -1.363 -13.340 430 2HG GLN 57 2HG GLN 57 17.122 -3.078 -13.173 431 1HE2 GLN 57 2HE2 GLN 57 17.929 -3.094 -15.410 432 2HE2 GLN 57 1HE2 GLN 57 16.758 -2.862 -16.689 433 H GLN 58 H GLN 58 18.273 -1.544 -11.138 434 HA GLN 58 HA GLN 58 18.056 0.042 -8.675 435 1HB GLN 58 1HB GLN 58 20.470 -0.479 -10.383 436 2HB GLN 58 2HB GLN 58 20.452 0.218 -8.776 437 1HG GLN 58 1HG GLN 58 20.536 -1.832 -7.901 438 2HG GLN 58 2HG GLN 58 19.008 -2.212 -8.667 439 1HE2 GLN 58 2HE2 GLN 58 18.953 -3.605 -10.357 440 2HE2 GLN 58 1HE2 GLN 58 20.367 -4.285 -11.131 441 H GLU 59 H GLU 59 16.949 1.859 -9.143 442 HA GLU 59 HA GLU 59 18.244 4.012 -10.370 443 1HB GLU 59 1HB GLU 59 16.828 4.315 -12.412 444 2HB GLU 59 2HB GLU 59 18.017 3.031 -12.518 445 1HG GLU 59 1HG GLU 59 16.157 1.435 -11.836 446 2HG GLU 59 2HG GLU 59 15.044 2.761 -12.107 447 H SER 60 H SER 60 16.667 3.331 -8.084 448 HA SER 60 HA SER 60 15.189 5.604 -7.644 449 1HB SER 60 1HB SER 60 12.814 4.679 -7.784 450 2HB SER 60 2HB SER 60 13.561 5.171 -9.290 451 HG SER 60 HG SER 60 12.556 3.102 -9.448 452 H GLN 61 H GLN 61 16.341 5.171 -5.729 453 HA GLN 61 HA GLN 61 15.955 2.891 -4.126 454 1HB GLN 61 1HB GLN 61 16.541 4.436 -2.218 455 2HB GLN 61 2HB GLN 61 17.694 4.364 -3.535 456 1HG GLN 61 1HG GLN 61 17.113 6.475 -4.330 457 2HG GLN 61 2HG GLN 61 15.565 6.464 -3.507 458 1HE2 GLN 61 2HE2 GLN 61 16.494 8.707 -3.048 459 2HE2 GLN 61 1HE2 GLN 61 17.389 8.864 -1.554 460 H GLN 62 H GLN 62 13.794 5.463 -4.827 461 HA GLN 62 HA GLN 62 12.171 5.213 -2.471 462 1HB GLN 62 1HB GLN 62 11.270 6.300 -5.099 463 2HB GLN 62 2HB GLN 62 10.722 6.733 -3.491 464 1HG GLN 62 1HG GLN 62 12.193 8.398 -3.450 465 2HG GLN 62 2HG GLN 62 13.499 7.237 -3.587 466 1HE2 GLN 62 2HE2 GLN 62 12.074 9.899 -4.957 467 2HE2 GLN 62 1HE2 GLN 62 12.729 9.775 -6.575 468 H LEU 63 H LEU 63 11.531 4.375 -5.919 469 HA LEU 63 HA LEU 63 9.225 2.861 -5.488 470 1HB LEU 63 1HB LEU 63 11.297 3.065 -7.555 471 2HB LEU 63 2HB LEU 63 10.388 1.568 -7.555 472 HG LEU 63 HG LEU 63 8.326 2.760 -7.826 473 1HD1 LEU 63 1HD1 LEU 63 8.817 4.742 -6.477 474 2HD1 LEU 63 2HD1 LEU 63 9.984 5.298 -7.726 475 3HD1 LEU 63 3HD1 LEU 63 8.231 5.209 -8.111 476 1HD2 LEU 63 1HD2 LEU 63 10.417 3.791 -9.761 477 2HD2 LEU 63 2HD2 LEU 63 9.542 2.223 -9.875 478 3HD2 LEU 63 3HD2 LEU 63 8.641 3.770 -10.047 479 H GLN 64 H GLN 64 12.602 1.998 -5.011 480 HA GLN 64 HA GLN 64 12.342 -0.746 -4.636 481 1HB GLN 64 1HB GLN 64 14.511 0.081 -4.679 482 2HB GLN 64 2HB GLN 64 14.178 1.283 -3.448 483 1HG GLN 64 1HG GLN 64 14.403 -0.208 -1.730 484 2HG GLN 64 2HG GLN 64 13.863 -1.566 -2.696 485 1HE2 GLN 64 2HE2 GLN 64 15.729 -2.450 -1.372 486 2HE2 GLN 64 1HE2 GLN 64 17.284 -2.434 -2.175 487 H GLN 65 H GLN 65 11.470 1.867 -2.475 488 HA GLN 65 HA GLN 65 11.005 0.207 -0.208 489 1HB GLN 65 1HB GLN 65 10.828 2.996 -0.820 490 2HB GLN 65 2HB GLN 65 9.345 2.481 -0.042 491 1HG GLN 65 1HG GLN 65 10.735 3.010 1.763 492 2HG GLN 65 2HG GLN 65 10.891 1.270 1.629 493 1HE2 GLN 65 2HE2 GLN 65 12.694 3.346 2.755 494 2HE2 GLN 65 1HE2 GLN 65 14.221 3.123 1.932 495 H CYS 66 H CYS 66 9.035 1.249 -2.952 496 HA CYS 66 HA CYS 66 6.591 0.201 -1.901 497 1HB CYS 66 1HB CYS 66 6.263 1.743 -3.587 498 2HB CYS 66 2HB CYS 66 7.521 1.055 -4.593 499 H CYS 67 H CYS 67 8.975 -1.055 -4.304 500 HA CYS 67 HA CYS 67 7.725 -3.532 -4.674 501 1HB CYS 67 1HB CYS 67 9.756 -2.520 -5.861 502 2HB CYS 67 2HB CYS 67 10.688 -3.267 -4.579 503 H ASN 68 H ASN 68 10.389 -2.766 -2.394 504 HA ASN 68 HA ASN 68 10.389 -5.188 -1.002 505 1HB ASN 68 1HB ASN 68 11.073 -2.376 -0.272 506 2HB ASN 68 2HB ASN 68 11.100 -3.625 0.957 507 1HD2 ASN 68 2HD2 ASN 68 12.196 -3.010 -2.354 508 2HD2 ASN 68 1HD2 ASN 68 13.754 -3.787 -2.179 509 H GLN 69 H GLN 69 8.180 -2.493 -0.800 510 HA GLN 69 HA GLN 69 6.871 -3.376 1.608 511 1HB GLN 69 1HB GLN 69 6.380 -1.270 -0.433 512 2HB GLN 69 2HB GLN 69 5.055 -1.750 0.607 513 1HG GLN 69 1HG GLN 69 7.598 -1.329 2.003 514 2HG GLN 69 2HG GLN 69 6.941 0.112 1.255 515 1HE2 GLN 69 2HE2 GLN 69 7.157 0.326 3.806 516 2HE2 GLN 69 1HE2 GLN 69 5.615 0.159 4.614 517 H VAL 70 H VAL 70 6.102 -3.619 -1.879 518 HA VAL 70 HA VAL 70 3.699 -5.105 -1.362 519 HB VAL 70 HB VAL 70 5.206 -5.135 -3.927 520 1HG1 VAL 70 1HG1 VAL 70 3.145 -6.440 -3.742 521 2HG1 VAL 70 2HG1 VAL 70 2.274 -4.967 -3.196 522 3HG1 VAL 70 3HG1 VAL 70 2.934 -5.053 -4.865 523 1HG2 VAL 70 1HG2 VAL 70 3.497 -2.829 -2.920 524 2HG2 VAL 70 2HG2 VAL 70 5.276 -2.773 -3.180 525 3HG2 VAL 70 3HG2 VAL 70 4.169 -2.997 -4.579 526 H LYS 71 H LYS 71 7.038 -5.868 -1.468 527 HA LYS 71 HA LYS 71 6.726 -8.657 -2.095 528 1HB LYS 71 1HB LYS 71 8.830 -7.013 -2.226 529 2HB LYS 71 2HB LYS 71 9.121 -7.710 -0.644 530 1HG LYS 71 1HG LYS 71 9.013 -9.960 -1.594 531 2HG LYS 71 2HG LYS 71 8.667 -9.288 -3.176 532 1HD LYS 71 1HD LYS 71 11.100 -8.293 -1.813 533 2HD LYS 71 2HD LYS 71 11.147 -9.944 -2.399 534 1HE LYS 71 1HE LYS 71 10.312 -8.998 -4.629 535 2HE LYS 71 2HE LYS 71 10.725 -7.422 -3.985 536 1HZ LYS 71 1HZ LYS 71 12.959 -8.191 -3.669 537 2HZ LYS 71 2HZ LYS 71 12.568 -9.680 -4.278 538 3HZ LYS 71 3HZ LYS 71 12.514 -8.345 -5.257 539 H GLN 72 H GLN 72 6.480 -6.678 0.724 540 HA GLN 72 HA GLN 72 6.459 -9.046 2.443 541 1HB GLN 72 1HB GLN 72 6.391 -7.478 4.288 542 2HB GLN 72 2HB GLN 72 7.728 -7.135 3.210 543 1HG GLN 72 1HG GLN 72 6.718 -5.220 2.365 544 2HG GLN 72 2HG GLN 72 5.127 -5.703 2.916 545 1HE2 GLN 72 2HE2 GLN 72 5.403 -6.278 5.489 546 2HE2 GLN 72 1HE2 GLN 72 5.943 -4.883 6.395 547 H VAL 73 H VAL 73 4.305 -7.899 0.404 548 HA VAL 73 HA VAL 73 2.004 -7.493 2.021 549 HB VAL 73 HB VAL 73 2.476 -6.827 -0.394 550 1HG1 VAL 73 1HG1 VAL 73 3.003 -9.053 -1.239 551 2HG1 VAL 73 2HG1 VAL 73 1.349 -9.609 -0.806 552 3HG1 VAL 73 3HG1 VAL 73 1.574 -8.373 -2.092 553 1HG2 VAL 73 1HG2 VAL 73 -0.243 -7.934 0.384 554 2HG2 VAL 73 2HG2 VAL 73 0.381 -6.292 0.766 555 3HG2 VAL 73 3HG2 VAL 73 0.068 -6.760 -0.942 556 H ARG 74 H ARG 74 -0.022 -9.019 1.336 557 HA ARG 74 HA ARG 74 0.536 -11.544 2.603 558 1HB ARG 74 1HB ARG 74 -1.805 -10.010 1.823 559 2HB ARG 74 2HB ARG 74 -2.008 -11.742 1.656 560 1HG ARG 74 1HG ARG 74 -0.681 -11.045 4.133 561 2HG ARG 74 2HG ARG 74 -2.253 -10.285 3.997 562 1HD ARG 74 1HD ARG 74 -2.621 -12.913 3.099 563 2HD ARG 74 2HD ARG 74 -1.609 -13.048 4.523 564 HE ARG 74 HE ARG 74 -3.498 -11.374 5.414 565 1HH1 ARG 74 1HH2 ARG 74 -3.795 -14.418 3.742 566 2HH1 ARG 74 2HH2 ARG 74 -5.368 -14.758 4.425 567 1HH2 ARG 74 1HH1 ARG 74 -5.537 -11.814 6.246 568 2HH2 ARG 74 2HH1 ARG 74 -6.338 -13.309 5.818 569 H ASP 75 H ASP 75 -1.556 -11.462 -0.149 570 HA ASP 75 HA ASP 75 0.128 -12.619 -2.113 571 1HB ASP 75 1HB ASP 75 -1.181 -14.415 -0.192 572 2HB ASP 75 2HB ASP 75 -1.425 -14.822 -1.878 573 H GLU 76 H GLU 76 -3.131 -12.597 -0.729 574 HA GLU 76 HA GLU 76 -4.230 -12.093 -3.432 575 1HB GLU 76 1HB GLU 76 -6.302 -13.031 -2.665 576 2HB GLU 76 2HB GLU 76 -5.006 -14.158 -2.321 577 1HG GLU 76 1HG GLU 76 -4.969 -13.486 0.005 578 2HG GLU 76 2HG GLU 76 -6.134 -12.214 -0.304 579 H CYS 77 H CYS 77 -3.424 -10.598 -0.620 580 HA CYS 77 HA CYS 77 -5.589 -8.648 -0.783 581 1HB CYS 77 1HB CYS 77 -3.247 -8.660 1.082 582 2HB CYS 77 2HB CYS 77 -4.744 -7.766 1.247 583 H GLN 78 H GLN 78 -3.035 -9.189 -2.651 584 HA GLN 78 HA GLN 78 -1.553 -6.765 -2.593 585 1HB GLN 78 1HB GLN 78 -1.957 -9.042 -4.441 586 2HB GLN 78 2HB GLN 78 -1.350 -7.564 -5.158 587 1HG GLN 78 1HG GLN 78 0.676 -8.312 -4.509 588 2HG GLN 78 2HG GLN 78 0.194 -7.784 -2.909 589 1HE2 GLN 78 2HE2 GLN 78 1.319 -10.387 -4.695 590 2HE2 GLN 78 1HE2 GLN 78 0.831 -11.679 -3.619 591 H CYS 79 H CYS 79 -4.271 -7.829 -4.668 592 HA CYS 79 HA CYS 79 -4.471 -5.237 -5.900 593 1HB CYS 79 1HB CYS 79 -5.380 -6.677 -7.326 594 2HB CYS 79 2HB CYS 79 -5.863 -7.784 -6.057 595 H GLU 80 H GLU 80 -6.579 -7.043 -3.666 596 HA GLU 80 HA GLU 80 -8.388 -5.022 -3.070 597 1HB GLU 80 1HB GLU 80 -8.810 -7.176 -2.239 598 2HB GLU 80 2HB GLU 80 -7.255 -7.260 -1.436 599 1HG GLU 80 1HG GLU 80 -9.025 -6.894 0.197 600 2HG GLU 80 2HG GLU 80 -7.981 -5.490 0.117 601 H ALA 81 H ALA 81 -5.052 -5.250 -2.173 602 HA ALA 81 HA ALA 81 -5.136 -3.309 -0.077 603 1HB ALA 81 1HB ALA 81 -3.310 -4.909 -0.358 604 2HB ALA 81 2HB ALA 81 -2.918 -4.178 -1.952 605 3HB ALA 81 3HB ALA 81 -2.693 -3.223 -0.446 606 H ILE 82 H ILE 82 -4.333 -3.056 -3.558 607 HA ILE 82 HA ILE 82 -3.994 -0.265 -3.588 608 HB ILE 82 HB ILE 82 -4.665 -2.293 -5.644 609 1HG1 ILE 82 1HG1 ILE 82 -2.391 -1.986 -4.708 610 2HG1 ILE 82 2HG1 ILE 82 -2.499 -1.817 -6.449 611 1HG2 ILE 82 1HG2 ILE 82 -5.957 -0.342 -6.368 612 2HG2 ILE 82 2HG2 ILE 82 -4.489 0.683 -6.195 613 3HG2 ILE 82 3HG2 ILE 82 -4.537 -0.616 -7.436 614 1HD1 ILE 82 1HD1 ILE 82 -2.440 0.646 -6.236 615 2HD1 ILE 82 2HD1 ILE 82 -2.328 0.473 -4.449 616 3HD1 ILE 82 3HD1 ILE 82 -0.990 -0.117 -5.495 617 H LYS 83 H LYS 83 -6.932 -2.243 -3.670 618 HA LYS 83 HA LYS 83 -8.654 -0.080 -4.376 619 1HB LYS 83 1HB LYS 83 -8.897 -2.846 -3.642 620 2HB LYS 83 2HB LYS 83 -10.155 -1.881 -2.896 621 1HG LYS 83 1HG LYS 83 -10.866 -2.681 -5.105 622 2HG LYS 83 2HG LYS 83 -10.736 -0.934 -5.087 623 1HD LYS 83 1HD LYS 83 -8.546 -1.072 -6.180 624 2HD LYS 83 2HD LYS 83 -8.638 -2.822 -6.166 625 1HE LYS 83 1HE LYS 83 -9.430 -2.475 -8.280 626 2HE LYS 83 2HE LYS 83 -10.944 -2.303 -7.415 627 1HZ LYS 83 1HZ LYS 83 -10.605 0.056 -7.387 628 2HZ LYS 83 2HZ LYS 83 -9.174 -0.107 -8.204 629 3HZ LYS 83 3HZ LYS 83 -10.599 -0.511 -8.943 630 H TYR 84 H TYR 84 -6.839 -0.560 -1.634 631 HA TYR 84 HA TYR 84 -8.623 0.984 0.124 632 1HB TYR 84 1HB TYR 84 -7.839 -1.083 1.036 633 2HB TYR 84 2HB TYR 84 -6.190 -0.721 0.566 634 HD1 TYR 84 1HD TYR 84 -4.823 0.901 1.836 635 HD2 TYR 84 2HD TYR 84 -8.821 -0.197 3.017 636 HE1 TYR 84 1HE TYR 84 -4.461 2.001 4.045 637 HE2 TYR 84 2HE TYR 84 -8.415 0.809 5.261 638 HH TYR 84 HH TYR 84 -6.992 1.827 6.555 639 H ILE 85 H ILE 85 -5.130 0.735 -0.556 640 HA ILE 85 HA ILE 85 -4.566 3.281 0.509 641 HB ILE 85 HB ILE 85 -2.900 1.529 0.300 642 1HG1 ILE 85 1HG1 ILE 85 -1.051 2.927 -0.457 643 2HG1 ILE 85 2HG1 ILE 85 -2.187 4.018 -1.227 644 1HG2 ILE 85 1HG2 ILE 85 -3.572 0.596 -1.869 645 2HG2 ILE 85 2HG2 ILE 85 -3.043 2.112 -2.677 646 3HG2 ILE 85 3HG2 ILE 85 -1.833 1.052 -1.876 647 1HD1 ILE 85 1HD1 ILE 85 -3.188 4.554 0.957 648 2HD1 ILE 85 2HD1 ILE 85 -2.023 3.435 1.747 649 3HD1 ILE 85 3HD1 ILE 85 -1.428 4.921 0.928 650 H ALA 86 H ALA 86 -5.082 2.187 -2.800 651 HA ALA 86 HA ALA 86 -4.848 4.790 -3.958 652 1HB ALA 86 1HB ALA 86 -4.283 2.788 -5.233 653 2HB ALA 86 2HB ALA 86 -5.972 2.198 -5.056 654 3HB ALA 86 3HB ALA 86 -5.633 3.679 -6.017 655 H GLU 87 H GLU 87 -6.500 5.174 -1.945 656 HA GLU 87 HA GLU 87 -8.833 6.277 -3.076 657 1HB GLU 87 1HB GLU 87 -9.293 3.685 -2.991 658 2HB GLU 87 2HB GLU 87 -9.605 4.018 -1.300 659 1HG GLU 87 1HG GLU 87 -11.704 4.429 -2.151 660 2HG GLU 87 2HG GLU 87 -11.005 6.026 -2.325 661 H ASP 88 H ASP 88 -7.866 4.639 -0.016 662 HA ASP 88 HA ASP 88 -9.106 6.409 1.762 663 1HB ASP 88 1HB ASP 88 -8.118 4.380 2.585 664 2HB ASP 88 2HB ASP 88 -6.534 4.860 2.009 665 H GLN 89 H GLN 89 -5.861 6.530 0.290 666 HA GLN 89 HA GLN 89 -5.002 8.913 1.498 667 1HB GLN 89 1HB GLN 89 -3.430 9.087 -0.330 668 2HB GLN 89 2HB GLN 89 -3.556 7.420 0.199 669 1HG GLN 89 1HG GLN 89 -3.945 6.871 -1.944 670 2HG GLN 89 2HG GLN 89 -5.495 7.677 -1.796 671 1HE2 GLN 89 2HE2 GLN 89 -2.171 7.973 -2.881 672 2HE2 GLN 89 1HE2 GLN 89 -2.391 9.450 -3.793 673 H ILE 90 H ILE 90 -7.339 8.481 -1.028 674 HA ILE 90 HA ILE 90 -7.266 11.145 -2.061 675 HB ILE 90 HB ILE 90 -9.552 9.203 -2.169 676 1HG1 ILE 90 1HG1 ILE 90 -7.092 9.365 -3.890 677 2HG1 ILE 90 2HG1 ILE 90 -7.656 7.992 -2.958 678 1HG2 ILE 90 1HG2 ILE 90 -10.122 11.481 -2.851 679 2HG2 ILE 90 2HG2 ILE 90 -8.734 11.481 -3.994 680 3HG2 ILE 90 3HG2 ILE 90 -10.122 10.370 -4.265 681 1HD1 ILE 90 1HD1 ILE 90 -9.631 7.782 -4.424 682 2HD1 ILE 90 2HD1 ILE 90 -9.053 9.190 -5.380 683 3HD1 ILE 90 3HD1 ILE 90 -8.100 7.666 -5.359 684 H GLN 91 H GLN 91 -9.370 9.424 0.265 685 HA GLN 91 HA GLN 91 -10.768 11.817 0.986 686 1HB GLN 91 1HB GLN 91 -10.930 9.039 1.581 687 2HB GLN 91 2HB GLN 91 -10.951 9.942 3.083 688 1HG GLN 91 1HG GLN 91 -12.645 10.915 0.836 689 2HG GLN 91 2HG GLN 91 -13.178 9.495 1.714 690 1HE2 GLN 91 2HE2 GLN 91 -14.040 12.472 1.505 691 2HE2 GLN 91 1HE2 GLN 91 -14.250 12.946 3.176 692 H GLN 92 H GLN 92 -7.951 10.167 2.262 693 HA GLN 92 HA GLN 92 -7.760 11.773 4.626 694 1HB GLN 92 1HB GLN 92 -6.623 9.394 3.788 695 2HB GLN 92 2HB GLN 92 -5.277 10.515 3.780 696 1HG GLN 92 1HG GLN 92 -6.764 10.981 6.158 697 2HG GLN 92 2HG GLN 92 -6.509 9.253 6.025 698 1HE2 GLN 92 2HE2 GLN 92 -4.930 12.399 6.135 699 2HE2 GLN 92 1HE2 GLN 92 -3.341 11.813 6.571 700 H GLY 93 H GLY 93 -5.806 11.574 1.684 701 1HA GLY 93 1HA GLY 93 -4.284 13.908 2.092 702 2HA GLY 93 2HA GLY 93 -4.575 13.112 0.559 703 H GLN 94 H GLN 94 -4.333 15.627 0.202 704 HA GLN 94 HA GLN 94 -6.856 17.008 0.578 705 1HB GLN 94 1HB GLN 94 -4.173 17.788 0.222 706 2HB GLN 94 2HB GLN 94 -5.116 18.509 -1.066 707 1HG GLN 94 1HG GLN 94 -6.206 19.901 0.357 708 2HG GLN 94 2HG GLN 94 -6.414 18.647 1.563 709 1HE2 GLN 94 2HE2 GLN 94 -4.728 18.216 3.062 710 2HE2 GLN 94 1HE2 GLN 94 -3.490 19.408 3.391 711 H LEU 95 H LEU 95 -7.353 14.742 -0.921 712 HA LEU 95 HA LEU 95 -7.283 15.622 -3.723 713 1HB LEU 95 1HB LEU 95 -7.848 12.957 -2.500 714 2HB LEU 95 2HB LEU 95 -7.965 13.299 -4.214 715 HG LEU 95 HG LEU 95 -5.889 12.127 -3.340 716 1HD1 LEU 95 1HD1 LEU 95 -6.206 12.919 -5.585 717 2HD1 LEU 95 2HD1 LEU 95 -5.731 14.577 -5.075 718 3HD1 LEU 95 3HD1 LEU 95 -4.525 13.244 -5.036 719 1HD2 LEU 95 1HD2 LEU 95 -5.105 14.963 -2.626 720 2HD2 LEU 95 2HD2 LEU 95 -5.310 13.601 -1.469 721 3HD2 LEU 95 3HD2 LEU 95 -4.001 13.547 -2.702 722 H HIS 96 H HIS 96 -8.874 17.054 -3.965 723 HA HIS 96 HA HIS 96 -11.591 16.021 -3.859 724 1HB HIS 96 1HB HIS 96 -10.813 18.392 -2.175 725 2HB HIS 96 2HB HIS 96 -12.445 17.803 -2.423 726 HD1 HIS 96 1HD HIS 96 -13.261 15.841 -0.930 727 HD2 HIS 96 2HD HIS 96 -9.177 16.803 -0.530 728 HE1 HIS 96 1HE HIS 96 -12.346 14.417 1.013 729 HE2 HIS 96 2HE HIS 96 -9.842 14.999 1.221 730 H GLY 97 H GLY 97 -13.175 17.755 -4.664 731 1HA GLY 97 1HA GLY 97 -13.691 19.467 -6.158 732 2HA GLY 97 2HA GLY 97 -11.991 19.874 -6.273 733 H GLU 98 H GLU 98 -10.615 18.184 -7.431 734 HA GLU 98 HA GLU 98 -11.719 16.335 -9.260 735 1HB GLU 98 1HB GLU 98 -12.577 18.495 -10.270 736 2HB GLU 98 2HB GLU 98 -10.906 18.899 -10.613 737 1HG GLU 98 1HG GLU 98 -10.717 16.745 -11.884 738 2HG GLU 98 2HG GLU 98 -12.439 16.513 -11.654 739 H GLU 99 H GLU 99 -9.696 16.197 -7.482 740 HA GLU 99 HA GLU 99 -7.398 15.924 -9.321 741 1HB GLU 99 1HB GLU 99 -5.857 16.610 -7.602 742 2HB GLU 99 2HB GLU 99 -7.041 17.875 -7.858 743 1HG GLU 99 1HG GLU 99 -8.142 17.418 -5.842 744 2HG GLU 99 2HG GLU 99 -7.439 15.818 -5.716 745 H SER 100 H SER 100 -9.632 14.122 -8.123 746 HA SER 100 HA SER 100 -8.042 12.244 -6.548 747 1HB SER 100 1HB SER 100 -10.170 12.084 -5.809 748 2HB SER 100 2HB SER 100 -10.844 12.615 -7.337 749 HG SER 100 HG SER 100 -11.356 10.434 -6.865 750 H GLU 101 H GLU 101 -9.153 12.628 -9.864 751 HA GLU 101 HA GLU 101 -8.522 9.953 -10.692 752 1HB GLU 101 1HB GLU 101 -9.618 12.316 -11.866 753 2HB GLU 101 2HB GLU 101 -8.333 11.718 -12.896 754 1HG GLU 101 1HG GLU 101 -10.453 10.697 -13.537 755 2HG GLU 101 2HG GLU 101 -9.380 9.481 -12.875 756 H ARG 102 H ARG 102 -6.702 12.897 -10.284 757 HA ARG 102 HA ARG 102 -4.452 12.106 -11.850 758 1HB ARG 102 1HB ARG 102 -3.253 13.870 -10.765 759 2HB ARG 102 2HB ARG 102 -4.869 14.433 -11.142 760 1HG ARG 102 1HG ARG 102 -5.242 14.904 -9.018 761 2HG ARG 102 2HG ARG 102 -4.883 13.251 -8.560 762 1HD ARG 102 1HD ARG 102 -2.521 13.816 -8.416 763 2HD ARG 102 2HD ARG 102 -2.898 15.472 -8.845 764 HE ARG 102 HE ARG 102 -4.470 15.116 -6.678 765 1HH1 ARG 102 1HH2 ARG 102 -1.107 14.385 -7.192 766 2HH1 ARG 102 2HH2 ARG 102 -0.677 14.630 -5.514 767 1HH2 ARG 102 1HH1 ARG 102 -3.860 15.440 -4.489 768 2HH2 ARG 102 2HH1 ARG 102 -2.187 15.209 -4.033 769 H VAL 103 H VAL 103 -5.578 11.176 -8.739 770 HA VAL 103 HA VAL 103 -3.020 10.238 -7.776 771 HB VAL 103 HB VAL 103 -5.753 10.461 -6.756 772 1HG1 VAL 103 1HG1 VAL 103 -5.461 8.023 -6.546 773 2HG1 VAL 103 2HG1 VAL 103 -3.892 8.300 -5.715 774 3HG1 VAL 103 3HG1 VAL 103 -5.425 8.833 -4.942 775 1HG2 VAL 103 1HG2 VAL 103 -2.970 10.665 -5.553 776 2HG2 VAL 103 2HG2 VAL 103 -3.952 12.029 -6.190 777 3HG2 VAL 103 3HG2 VAL 103 -4.496 11.136 -4.728 778 H ALA 104 H ALA 104 -5.727 9.027 -9.587 779 HA ALA 104 HA ALA 104 -5.260 6.254 -9.236 780 1HB ALA 104 1HB ALA 104 -7.379 7.163 -10.100 781 2HB ALA 104 2HB ALA 104 -6.517 7.773 -11.554 782 3HB ALA 104 3HB ALA 104 -6.659 6.003 -11.269 783 H GLN 105 H GLN 105 -4.256 8.539 -11.794 784 HA GLN 105 HA GLN 105 -2.589 6.601 -13.095 785 1HB GLN 105 1HB GLN 105 -1.759 8.456 -14.409 786 2HB GLN 105 2HB GLN 105 -3.503 8.538 -14.275 787 1HG GLN 105 1HG GLN 105 -2.754 10.030 -12.142 788 2HG GLN 105 2HG GLN 105 -1.448 10.370 -13.259 789 1HE2 GLN 105 2HE2 GLN 105 -2.009 12.524 -13.515 790 2HE2 GLN 105 1HE2 GLN 105 -3.447 13.019 -14.379 791 H ARG 106 H ARG 106 -2.099 8.930 -10.532 792 HA ARG 106 HA ARG 106 0.688 9.057 -10.524 793 1HB ARG 106 1HB ARG 106 -1.318 10.034 -8.932 794 2HB ARG 106 2HB ARG 106 -0.480 8.924 -7.865 795 1HG ARG 106 1HG ARG 106 0.579 11.022 -7.565 796 2HG ARG 106 2HG ARG 106 1.668 10.087 -8.568 797 1HD ARG 106 1HD ARG 106 -0.356 11.718 -9.958 798 2HD ARG 106 2HD ARG 106 0.947 12.581 -9.166 799 HE ARG 106 HE ARG 106 2.115 10.488 -10.621 800 1HH1 ARG 106 1HH2 ARG 106 0.352 13.427 -11.265 801 2HH1 ARG 106 2HH2 ARG 106 1.081 13.649 -12.840 802 1HH2 ARG 106 1HH1 ARG 106 3.025 10.784 -12.660 803 2HH2 ARG 106 2HH1 ARG 106 2.567 12.178 -13.613 804 H ALA 107 H ALA 107 -1.391 6.902 -8.567 805 HA ALA 107 HA ALA 107 0.751 5.394 -7.526 806 1HB ALA 107 1HB ALA 107 -1.510 5.413 -6.639 807 2HB ALA 107 2HB ALA 107 -2.093 4.611 -8.139 808 3HB ALA 107 3HB ALA 107 -0.978 3.741 -7.029 809 H GLY 108 H GLY 108 -1.150 5.069 -10.474 810 1HA GLY 108 1HA GLY 108 -0.308 2.691 -11.529 811 2HA GLY 108 2HA GLY 108 -0.588 4.141 -12.472 812 H GLU 109 H GLU 109 1.594 5.642 -11.244 813 HA GLU 109 HA GLU 109 3.741 4.950 -12.906 814 1HB GLU 109 1HB GLU 109 3.676 6.592 -10.390 815 2HB GLU 109 2HB GLU 109 5.081 6.458 -11.427 816 1HG GLU 109 1HG GLU 109 3.504 7.186 -13.325 817 2HG GLU 109 2HG GLU 109 2.415 7.686 -12.047 818 H ILE 110 H ILE 110 3.449 4.481 -9.371 819 HA ILE 110 HA ILE 110 5.830 2.869 -9.288 820 HB ILE 110 HB ILE 110 3.662 3.017 -7.228 821 1HG1 ILE 110 1HG1 ILE 110 4.050 5.280 -7.401 822 2HG1 ILE 110 2HG1 ILE 110 5.285 4.824 -6.245 823 1HG2 ILE 110 1HG2 ILE 110 5.357 1.294 -6.856 824 2HG2 ILE 110 2HG2 ILE 110 6.653 2.525 -7.050 825 3HG2 ILE 110 3HG2 ILE 110 5.530 2.616 -5.650 826 1HD1 ILE 110 1HD1 ILE 110 6.965 4.688 -8.061 827 2HD1 ILE 110 2HD1 ILE 110 5.697 5.157 -9.247 828 3HD1 ILE 110 3HD1 ILE 110 6.217 6.321 -7.980 829 H VAL 111 H VAL 111 2.462 2.288 -9.809 830 HA VAL 111 HA VAL 111 2.368 -0.450 -9.300 831 HB VAL 111 HB VAL 111 0.944 1.248 -11.269 832 1HG1 VAL 111 1HG1 VAL 111 0.902 -0.991 -12.198 833 2HG1 VAL 111 2HG1 VAL 111 0.334 -1.642 -10.621 834 3HG1 VAL 111 3HG1 VAL 111 -0.720 -0.535 -11.569 835 1HG2 VAL 111 1HG2 VAL 111 0.124 0.109 -8.586 836 2HG2 VAL 111 2HG2 VAL 111 0.512 1.824 -8.957 837 3HG2 VAL 111 3HG2 VAL 111 -0.943 1.055 -9.681 838 H SER 112 H SER 112 3.332 1.274 -12.257 839 HA SER 112 HA SER 112 3.945 -1.054 -13.728 840 1HB SER 112 1HB SER 112 4.893 0.337 -15.303 841 2HB SER 112 2HB SER 112 3.751 1.396 -14.500 842 HG SER 112 HG SER 112 5.820 2.366 -14.750 843 H SER 113 H SER 113 5.668 0.555 -11.188 844 HA SER 113 HA SER 113 8.220 -0.656 -11.741 845 1HB SER 113 1HB SER 113 8.089 1.442 -10.518 846 2HB SER 113 2HB SER 113 7.155 0.664 -9.255 847 HG SER 113 HG SER 113 9.401 0.812 -8.719 848 H CYS 114 H CYS 114 6.393 -0.975 -8.716 849 HA CYS 114 HA CYS 114 6.412 -3.887 -9.001 850 1HB CYS 114 1HB CYS 114 8.541 -3.006 -7.889 851 2HB CYS 114 2HB CYS 114 7.504 -2.666 -6.518 852 H GLY 115 H GLY 115 4.321 -2.102 -9.233 853 1HA GLY 115 1HA GLY 115 2.749 -2.786 -6.822 854 2HA GLY 115 2HA GLY 115 2.714 -1.160 -7.471 855 H VAL 116 H VAL 116 3.051 -3.810 -9.649 856 HA VAL 116 HA VAL 116 0.658 -3.132 -11.042 857 HB VAL 116 HB VAL 116 2.592 -3.767 -12.252 858 1HG1 VAL 116 1HG1 VAL 116 3.693 -5.244 -10.665 859 2HG1 VAL 116 2HG1 VAL 116 2.415 -6.482 -10.922 860 3HG1 VAL 116 3HG1 VAL 116 3.527 -6.044 -12.266 861 1HG2 VAL 116 1HG2 VAL 116 0.425 -5.850 -12.536 862 2HG2 VAL 116 2HG2 VAL 116 0.470 -4.231 -13.316 863 3HG2 VAL 116 3HG2 VAL 116 1.684 -5.478 -13.764 864 H ARG 117 H ARG 117 -0.572 -3.489 -8.892 865 HA ARG 117 HA ARG 117 -1.182 -6.326 -8.418 866 1HB ARG 117 1HB ARG 117 -1.701 -3.806 -6.891 867 2HB ARG 117 2HB ARG 117 -2.524 -5.301 -6.496 868 1HG ARG 117 1HG ARG 117 -0.685 -5.220 -5.069 869 2HG ARG 117 2HG ARG 117 -0.237 -6.346 -6.334 870 1HD ARG 117 1HD ARG 117 0.496 -3.607 -6.938 871 2HD ARG 117 2HD ARG 117 1.254 -4.218 -5.480 872 HE ARG 117 HE ARG 117 2.004 -4.845 -8.127 873 1HH1 ARG 117 1HH2 ARG 117 1.300 -6.606 -5.225 874 2HH1 ARG 117 2HH2 ARG 117 2.446 -7.877 -5.585 875 1HH2 ARG 117 1HH1 ARG 117 3.529 -6.459 -8.534 876 2HH2 ARG 117 2HH1 ARG 117 3.681 -7.797 -7.417 877 H CYS 118 H CYS 118 -3.511 -3.858 -7.706 878 HA CYS 118 HA CYS 118 -5.277 -4.972 -9.792 879 1HB CYS 118 1HB CYS 118 -5.677 -4.331 -7.118 880 2HB CYS 118 2HB CYS 118 -6.503 -3.077 -8.020 881 H MET 119 H MET 119 -3.128 -2.519 -9.424 882 HA MET 119 HA MET 119 -4.716 -0.483 -10.794 883 1HB MET 119 1HB MET 119 -2.661 -0.423 -9.006 884 2HB MET 119 2HB MET 119 -1.862 -0.054 -10.521 885 1HG MET 119 1HG MET 119 -2.763 1.993 -10.620 886 2HG MET 119 2HG MET 119 -4.348 1.414 -10.147 887 1HE MET 119 1HE MET 119 -4.177 3.985 -9.068 888 2HE MET 119 2HE MET 119 -5.322 2.762 -8.413 889 3HE MET 119 3HE MET 119 -4.350 3.776 -7.290 890 H ARG 120 H ARG 120 -3.206 -3.196 -11.763 891 HA ARG 120 HA ARG 120 -3.149 -2.346 -14.513 892 1HB ARG 120 1HB ARG 120 -0.922 -1.629 -13.739 893 2HB ARG 120 2HB ARG 120 -0.588 -3.277 -13.241 894 1HG ARG 120 1HG ARG 120 -1.281 -2.535 -16.071 895 2HG ARG 120 2HG ARG 120 0.366 -2.584 -15.477 896 1HD ARG 120 1HD ARG 120 -0.657 -5.018 -14.699 897 2HD ARG 120 2HD ARG 120 -1.386 -4.759 -16.271 898 HE ARG 120 HE ARG 120 1.405 -4.189 -16.366 899 1HH1 ARG 120 1HH2 ARG 120 -0.834 -6.889 -16.245 900 2HH1 ARG 120 2HH2 ARG 120 0.279 -7.974 -17.049 901 1HH2 ARG 120 1HH1 ARG 120 2.790 -5.604 -17.388 902 2HH2 ARG 120 2HH1 ARG 120 2.300 -7.258 -17.686 903 H GLN 121 H GLN 121 -2.231 -4.830 -12.135 904 HA GLN 121 HA GLN 121 -2.831 -6.934 -14.079 905 1HB GLN 121 1HB GLN 121 -0.864 -6.865 -12.340 906 2HB GLN 121 2HB GLN 121 -2.082 -7.503 -11.253 907 1HG GLN 121 1HG GLN 121 -1.801 -9.540 -12.121 908 2HG GLN 121 2HG GLN 121 -2.260 -8.935 -13.700 909 1HE2 GLN 121 2HE2 GLN 121 -0.325 -10.977 -12.941 910 2HE2 GLN 121 1HE2 GLN 121 1.191 -10.481 -13.659 911 H THR 122 H THR 122 -3.547 -8.605 -11.619 912 HA THR 122 HA THR 122 -6.286 -7.679 -11.202 913 HB THR 122 HB THR 122 -5.874 -10.479 -12.182 914 HG1 THR 122 1HG THR 122 -6.404 -9.629 -14.249 915 1HG2 THR 122 1HG2 THR 122 -8.084 -9.828 -11.193 916 2HG2 THR 122 2HG2 THR 122 -8.180 -8.497 -12.398 917 3HG2 THR 122 3HG2 THR 122 -8.201 -10.208 -12.947 918 H ARG 123 H ARG 123 -6.912 -10.439 -10.210 919 HA ARG 123 HA ARG 123 -6.709 -10.214 -7.545 920 1HB ARG 123 1HB ARG 123 -7.056 -12.396 -9.364 921 2HB ARG 123 2HB ARG 123 -6.074 -12.924 -8.014 922 1HG ARG 123 1HG ARG 123 -7.843 -11.750 -6.551 923 2HG ARG 123 2HG ARG 123 -8.848 -11.803 -7.985 924 1HD ARG 123 1HD ARG 123 -9.274 -13.994 -7.708 925 2HD ARG 123 2HD ARG 123 -7.577 -14.362 -7.470 926 HE ARG 123 HE ARG 123 -8.041 -14.568 -5.237 927 1HH1 ARG 123 1HH2 ARG 123 -10.285 -12.218 -6.553 928 2HH1 ARG 123 2HH2 ARG 123 -11.042 -11.918 -5.004 929 1HH2 ARG 123 1HH1 ARG 123 -9.037 -14.134 -3.258 930 2HH2 ARG 123 2HH1 ARG 123 -10.349 -12.981 -3.183 931 H THR 124 H THR 124 -4.333 -12.133 -9.296 932 HA THR 124 HA THR 124 -2.245 -11.259 -7.405 933 HB THR 124 HB THR 124 -2.575 -13.448 -6.737 934 HG1 THR 124 1HG THR 124 -0.864 -14.645 -7.696 935 1HG2 THR 124 1HG2 THR 124 -4.241 -14.108 -8.451 936 2HG2 THR 124 2HG2 THR 124 -2.904 -14.281 -9.641 937 3HG2 THR 124 3HG2 THR 124 -2.982 -15.370 -8.212 938 H ASN 125 H ASN 125 -0.353 -10.664 -8.213 939 HA ASN 125 HA ASN 125 -0.062 -9.957 -10.921 940 1HB ASN 125 1HB ASN 125 2.315 -10.519 -9.226 941 2HB ASN 125 2HB ASN 125 2.044 -9.214 -10.364 942 1HD2 ASN 125 2HD2 ASN 125 1.504 -10.365 -7.095 943 2HD2 ASN 125 1HD2 ASN 125 0.891 -8.855 -6.459 Start of MODEL 17 1 1H ALA 1 1H ALA 1 -1.398 2.306 -15.774 2 2H ALA 1 2H ALA 1 -1.301 3.059 -17.246 3 3H ALA 1 3H ALA 1 0.082 2.666 -16.424 4 HA ALA 1 HA ALA 1 -0.476 4.176 -14.686 5 1HB ALA 1 1HB ALA 1 0.969 4.942 -16.522 6 2HB ALA 1 2HB ALA 1 -0.490 5.398 -17.468 7 3HB ALA 1 3HB ALA 1 -0.098 6.269 -15.946 8 H GLU 2 H GLU 2 -2.555 4.757 -17.527 9 HA GLU 2 HA GLU 2 -4.564 6.007 -15.814 10 1HB GLU 2 1HB GLU 2 -5.746 6.492 -17.862 11 2HB GLU 2 2HB GLU 2 -4.058 6.934 -18.032 12 1HG GLU 2 1HG GLU 2 -4.166 4.295 -18.904 13 2HG GLU 2 2HG GLU 2 -5.620 5.025 -19.555 14 H PHE 3 H PHE 3 -6.494 5.191 -15.201 15 HA PHE 3 HA PHE 3 -6.891 2.464 -14.917 16 1HB PHE 3 1HB PHE 3 -9.108 3.051 -14.269 17 2HB PHE 3 2HB PHE 3 -8.029 4.323 -13.734 18 HD1 PHE 3 1HD PHE 3 -8.307 6.586 -14.460 19 HD2 PHE 3 2HD PHE 3 -10.585 3.417 -16.286 20 HE1 PHE 3 1HE PHE 3 -9.707 8.260 -15.655 21 HE2 PHE 3 2HE PHE 3 -11.847 5.088 -17.633 22 HZ PHE 3 HZ PHE 3 -11.466 7.518 -17.244 23 H MET 4 H MET 4 -7.567 0.840 -16.156 24 HA MET 4 HA MET 4 -9.171 1.445 -18.543 25 1HB MET 4 1HB MET 4 -7.727 0.192 -20.013 26 2HB MET 4 2HB MET 4 -6.808 1.481 -19.263 27 1HG MET 4 1HG MET 4 -5.975 -0.158 -17.584 28 2HG MET 4 2HG MET 4 -6.801 -1.426 -18.465 29 1HE MET 4 1HE MET 4 -4.562 1.713 -19.294 30 2HE MET 4 2HE MET 4 -3.728 0.733 -18.039 31 3HE MET 4 3HE MET 4 -3.017 0.882 -19.683 32 H GLU 5 H GLU 5 -10.068 -0.508 -19.553 33 HA GLU 5 HA GLU 5 -11.250 -2.207 -17.636 34 1HB GLU 5 1HB GLU 5 -10.997 -2.402 -20.620 35 2HB GLU 5 2HB GLU 5 -11.857 -3.602 -19.676 36 1HG GLU 5 1HG GLU 5 -13.511 -2.091 -19.026 37 2HG GLU 5 2HG GLU 5 -12.494 -0.698 -19.334 38 H SER 6 H SER 6 -11.154 -4.697 -17.940 39 HA SER 6 HA SER 6 -8.850 -6.037 -18.744 40 1HB SER 6 1HB SER 6 -8.260 -4.466 -16.497 41 2HB SER 6 2HB SER 6 -8.422 -6.103 -15.897 42 HG SER 6 HG SER 6 -6.279 -5.638 -16.607 43 H LYS 7 H LYS 7 -8.835 -8.257 -18.087 44 HA LYS 7 HA LYS 7 -11.448 -9.286 -17.558 45 1HB LYS 7 1HB LYS 7 -8.782 -10.385 -18.120 46 2HB LYS 7 2HB LYS 7 -9.867 -11.437 -17.232 47 1HG LYS 7 1HG LYS 7 -11.566 -11.225 -18.954 48 2HG LYS 7 2HG LYS 7 -10.612 -10.025 -19.800 49 1HD LYS 7 1HD LYS 7 -8.797 -11.937 -19.821 50 2HD LYS 7 2HD LYS 7 -10.193 -12.976 -19.607 51 1HE LYS 7 1HE LYS 7 -11.202 -12.141 -21.631 52 2HE LYS 7 2HE LYS 7 -9.961 -10.916 -21.799 53 1HZ LYS 7 1HZ LYS 7 -8.348 -12.657 -22.078 54 2HZ LYS 7 2HZ LYS 7 -9.521 -13.814 -21.920 55 3HZ LYS 7 3HZ LYS 7 -9.541 -12.788 -23.219 56 H GLY 8 H GLY 8 -12.484 -9.459 -15.715 57 1HA GLY 8 1HA GLY 8 -11.075 -10.193 -13.267 58 2HA GLY 8 2HA GLY 8 -11.776 -8.587 -13.266 59 H GLU 9 H GLU 9 -12.463 -12.036 -13.622 60 HA GLU 9 HA GLU 9 -15.345 -11.538 -13.327 61 1HB GLU 9 1HB GLU 9 -14.390 -13.282 -14.880 62 2HB GLU 9 2HB GLU 9 -13.931 -14.188 -13.453 63 1HG GLU 9 1HG GLU 9 -16.617 -13.487 -13.054 64 2HG GLU 9 2HG GLU 9 -16.515 -13.989 -14.730 65 H ARG 10 H ARG 10 -12.617 -12.902 -11.504 66 HA ARG 10 HA ARG 10 -13.995 -13.981 -9.332 67 1HB ARG 10 1HB ARG 10 -11.303 -13.241 -9.942 68 2HB ARG 10 2HB ARG 10 -11.682 -12.760 -8.301 69 1HG ARG 10 1HG ARG 10 -11.938 -14.909 -7.585 70 2HG ARG 10 2HG ARG 10 -12.601 -15.448 -9.114 71 1HD ARG 10 1HD ARG 10 -10.014 -14.828 -9.790 72 2HD ARG 10 2HD ARG 10 -9.830 -15.472 -8.171 73 HE ARG 10 HE ARG 10 -10.460 -16.957 -10.557 74 1HH1 ARG 10 1HH2 ARG 10 -10.997 -16.883 -7.093 75 2HH1 ARG 10 2HH2 ARG 10 -11.323 -18.599 -7.007 76 1HH2 ARG 10 1HH1 ARG 10 -10.900 -19.145 -10.404 77 2HH2 ARG 10 2HH1 ARG 10 -11.268 -19.858 -8.849 78 H GLU 11 H GLU 11 -14.190 -13.156 -7.144 79 HA GLU 11 HA GLU 11 -15.085 -10.338 -7.188 80 1HB GLU 11 1HB GLU 11 -16.603 -12.369 -6.531 81 2HB GLU 11 2HB GLU 11 -15.794 -12.192 -4.987 82 1HG GLU 11 1HG GLU 11 -17.023 -10.381 -4.477 83 2HG GLU 11 2HG GLU 11 -16.615 -9.614 -5.998 84 H GLY 12 H GLY 12 -14.920 -9.222 -4.998 85 1HA GLY 12 1HA GLY 12 -12.158 -9.567 -4.017 86 2HA GLY 12 2HA GLY 12 -13.178 -8.163 -3.785 87 H SER 13 H SER 13 -11.836 -9.019 -1.657 88 HA SER 13 HA SER 13 -13.562 -9.236 0.403 89 1HB SER 13 1HB SER 13 -13.384 -11.866 -0.902 90 2HB SER 13 2HB SER 13 -13.181 -11.870 0.838 91 HG SER 13 HG SER 13 -15.376 -12.094 0.210 92 H SER 14 H SER 14 -12.319 -8.680 2.054 93 HA SER 14 HA SER 14 -9.493 -8.967 1.959 94 1HB SER 14 1HB SER 14 -9.701 -8.305 4.422 95 2HB SER 14 2HB SER 14 -10.246 -7.159 3.214 96 HG SER 14 HG SER 14 -11.714 -7.358 4.957 97 H SER 15 H SER 15 -8.141 -10.479 2.737 98 HA SER 15 HA SER 15 -9.034 -13.109 3.134 99 1HB SER 15 1HB SER 15 -6.654 -12.262 2.617 100 2HB SER 15 2HB SER 15 -6.488 -12.079 4.351 101 HG SER 15 HG SER 15 -5.779 -14.141 3.616 102 H GLN 16 H GLN 16 -8.244 -14.318 5.296 103 HA GLN 16 HA GLN 16 -10.136 -13.959 7.224 104 1HB GLN 16 1HB GLN 16 -8.289 -15.741 7.010 105 2HB GLN 16 2HB GLN 16 -7.342 -14.666 8.019 106 1HG GLN 16 1HG GLN 16 -9.225 -14.668 9.671 107 2HG GLN 16 2HG GLN 16 -10.019 -15.886 8.693 108 1HE2 GLN 16 2HE2 GLN 16 -8.924 -17.948 8.363 109 2HE2 GLN 16 1HE2 GLN 16 -7.807 -18.530 9.577 110 H GLN 17 H GLN 17 -6.842 -12.557 7.365 111 HA GLN 17 HA GLN 17 -7.889 -10.145 8.567 112 1HB GLN 17 1HB GLN 17 -6.027 -11.929 10.100 113 2HB GLN 17 2HB GLN 17 -6.450 -10.290 10.550 114 1HG GLN 17 1HG GLN 17 -8.827 -11.004 10.668 115 2HG GLN 17 2HG GLN 17 -8.299 -12.650 10.387 116 1HE2 GLN 17 2HE2 GLN 17 -7.161 -9.951 12.389 117 2HE2 GLN 17 1HE2 GLN 17 -7.156 -10.847 13.891 118 H CYS 18 H CYS 18 -6.935 -10.117 6.167 119 HA CYS 18 HA CYS 18 -4.042 -9.819 6.110 120 1HB CYS 18 1HB CYS 18 -6.104 -10.095 4.191 121 2HB CYS 18 2HB CYS 18 -5.248 -8.600 3.877 122 H ARG 19 H ARG 19 -6.849 -7.590 5.594 123 HA ARG 19 HA ARG 19 -5.747 -5.164 5.470 124 1HB ARG 19 1HB ARG 19 -7.576 -4.255 6.738 125 2HB ARG 19 2HB ARG 19 -8.153 -5.572 5.738 126 1HG ARG 19 1HG ARG 19 -7.435 -5.864 8.650 127 2HG ARG 19 2HG ARG 19 -9.063 -5.579 8.070 128 1HD ARG 19 1HD ARG 19 -8.673 -7.684 6.623 129 2HD ARG 19 2HD ARG 19 -7.348 -8.006 7.722 130 HE ARG 19 HE ARG 19 -10.178 -8.246 8.263 131 1HH1 ARG 19 1HH2 ARG 19 -7.012 -7.865 9.693 132 2HH1 ARG 19 2HH2 ARG 19 -7.538 -8.458 11.252 133 1HH2 ARG 19 1HH1 ARG 19 -10.814 -8.968 10.284 134 2HH2 ARG 19 2HH1 ARG 19 -9.640 -9.068 11.577 135 H GLN 20 H GLN 20 -5.783 -7.083 8.475 136 HA GLN 20 HA GLN 20 -4.781 -5.196 10.235 137 1HB GLN 20 1HB GLN 20 -5.569 -7.372 10.950 138 2HB GLN 20 2HB GLN 20 -4.268 -8.159 10.080 139 1HG GLN 20 1HG GLN 20 -2.970 -6.302 11.679 140 2HG GLN 20 2HG GLN 20 -4.244 -6.924 12.709 141 1HE2 GLN 20 2HE2 GLN 20 -1.735 -8.008 10.419 142 2HE2 GLN 20 1HE2 GLN 20 -1.301 -9.453 11.304 143 H GLU 21 H GLU 21 -2.767 -7.748 8.724 144 HA GLU 21 HA GLU 21 -0.381 -6.238 9.119 145 1HB GLU 21 1HB GLU 21 0.700 -7.961 7.854 146 2HB GLU 21 2HB GLU 21 -0.453 -8.682 8.960 147 1HG GLU 21 1HG GLU 21 -2.076 -8.656 6.976 148 2HG GLU 21 2HG GLU 21 -0.655 -8.377 5.988 149 H VAL 22 H VAL 22 -2.549 -6.530 6.351 150 HA VAL 22 HA VAL 22 -0.987 -5.314 4.388 151 HB VAL 22 HB VAL 22 -3.868 -5.745 4.862 152 1HG1 VAL 22 1HG1 VAL 22 -3.874 -3.464 4.030 153 2HG1 VAL 22 2HG1 VAL 22 -2.831 -3.963 2.653 154 3HG1 VAL 22 3HG1 VAL 22 -4.508 -4.599 2.789 155 1HG2 VAL 22 1HG2 VAL 22 -2.012 -6.439 2.586 156 2HG2 VAL 22 2HG2 VAL 22 -2.550 -7.534 3.906 157 3HG2 VAL 22 3HG2 VAL 22 -3.741 -6.915 2.710 158 H GLN 23 H GLN 23 -2.648 -4.022 7.157 159 HA GLN 23 HA GLN 23 -2.646 -1.331 6.283 160 1HB GLN 23 1HB GLN 23 -3.050 -2.673 8.876 161 2HB GLN 23 2HB GLN 23 -2.794 -0.941 8.834 162 1HG GLN 23 1HG GLN 23 -4.660 -1.553 6.814 163 2HG GLN 23 2HG GLN 23 -5.161 -2.412 8.255 164 1HE2 GLN 23 2HE2 GLN 23 -7.044 -0.950 8.025 165 2HE2 GLN 23 1HE2 GLN 23 -6.948 0.616 8.800 166 H ARG 24 H ARG 24 -0.114 -3.263 6.758 167 HA ARG 24 HA ARG 24 1.790 -1.134 7.097 168 1HB ARG 24 1HB ARG 24 2.719 -2.813 9.069 169 2HB ARG 24 2HB ARG 24 2.012 -1.225 9.297 170 1HG ARG 24 1HG ARG 24 -0.031 -2.081 9.955 171 2HG ARG 24 2HG ARG 24 0.221 -3.602 9.123 172 1HD ARG 24 1HD ARG 24 2.226 -3.677 10.935 173 2HD ARG 24 2HD ARG 24 1.009 -2.786 11.826 174 HE ARG 24 HE ARG 24 -0.281 -4.991 10.654 175 1HH1 ARG 24 1HH2 ARG 24 2.190 -4.400 13.064 176 2HH1 ARG 24 2HH2 ARG 24 1.820 -5.866 13.945 177 1HH2 ARG 24 1HH1 ARG 24 -0.722 -6.853 11.810 178 2HH2 ARG 24 2HH1 ARG 24 0.201 -7.229 13.248 179 H LYS 25 H LYS 25 0.952 -3.422 5.282 180 HA LYS 25 HA LYS 25 3.648 -4.500 4.912 181 1HB LYS 25 1HB LYS 25 2.784 -6.283 6.114 182 2HB LYS 25 2HB LYS 25 1.215 -6.161 5.343 183 1HG LYS 25 1HG LYS 25 2.993 -6.589 3.248 184 2HG LYS 25 2HG LYS 25 3.546 -7.657 4.523 185 1HD LYS 25 1HD LYS 25 0.636 -7.515 3.890 186 2HD LYS 25 2HD LYS 25 1.695 -8.456 2.857 187 1HE LYS 25 1HE LYS 25 1.832 -8.851 5.792 188 2HE LYS 25 2HE LYS 25 0.496 -9.553 4.904 189 1HZ LYS 25 1HZ LYS 25 2.064 -10.663 3.515 190 2HZ LYS 25 2HZ LYS 25 3.327 -10.000 4.355 191 3HZ LYS 25 3HZ LYS 25 2.305 -11.066 5.102 192 H ASP 26 H ASP 26 0.660 -5.550 3.395 193 HA ASP 26 HA ASP 26 1.533 -5.419 0.778 194 1HB ASP 26 1HB ASP 26 -1.135 -5.088 2.042 195 2HB ASP 26 2HB ASP 26 -0.952 -4.841 0.318 196 H LEU 27 H LEU 27 0.940 -3.825 -0.942 197 HA LEU 27 HA LEU 27 1.876 -1.559 -1.270 198 1HB LEU 27 1HB LEU 27 -1.099 -1.727 -1.376 199 2HB LEU 27 2HB LEU 27 -0.134 -0.484 -2.146 200 HG LEU 27 HG LEU 27 -0.710 -2.022 -3.768 201 1HD1 LEU 27 1HD1 LEU 27 1.508 -1.210 -4.003 202 2HD1 LEU 27 2HD1 LEU 27 2.127 -2.546 -2.972 203 3HD1 LEU 27 3HD1 LEU 27 1.399 -2.911 -4.575 204 1HD2 LEU 27 1HD2 LEU 27 0.306 -4.240 -2.019 205 2HD2 LEU 27 2HD2 LEU 27 -1.401 -3.903 -2.470 206 3HD2 LEU 27 3HD2 LEU 27 -0.222 -4.409 -3.729 207 H SER 28 H SER 28 2.848 -0.717 0.554 208 HA SER 28 HA SER 28 1.137 1.024 2.217 209 1HB SER 28 1HB SER 28 1.106 -0.810 3.684 210 2HB SER 28 2HB SER 28 2.794 -1.178 3.390 211 HG SER 28 HG SER 28 2.453 -0.209 5.442 212 H SER 29 H SER 29 2.823 1.570 0.071 213 HA SER 29 HA SER 29 4.443 3.604 1.209 214 1HB SER 29 1HB SER 29 5.730 1.200 1.433 215 2HB SER 29 2HB SER 29 6.304 1.778 -0.118 216 HG SER 29 HG SER 29 7.613 2.485 1.618 217 H CYS 30 H CYS 30 3.777 1.395 -1.492 218 HA CYS 30 HA CYS 30 4.935 2.855 -3.575 219 1HB CYS 30 1HB CYS 30 2.286 1.486 -3.751 220 2HB CYS 30 2HB CYS 30 3.482 1.694 -5.015 221 H GLU 31 H GLU 31 1.642 3.100 -2.217 222 HA GLU 31 HA GLU 31 1.060 5.421 -3.868 223 1HB GLU 31 1HB GLU 31 -0.400 3.650 -2.119 224 2HB GLU 31 2HB GLU 31 -0.810 5.328 -1.824 225 1HG GLU 31 1HG GLU 31 -2.301 4.392 -3.462 226 2HG GLU 31 2HG GLU 31 -1.282 5.606 -4.210 227 H ARG 32 H ARG 32 2.184 4.737 -0.613 228 HA ARG 32 HA ARG 32 1.856 7.315 0.482 229 1HB ARG 32 1HB ARG 32 2.575 5.094 1.585 230 2HB ARG 32 2HB ARG 32 4.193 5.577 1.117 231 1HG ARG 32 1HG ARG 32 4.208 6.693 3.085 232 2HG ARG 32 2HG ARG 32 3.234 7.879 2.238 233 1HD ARG 32 1HD ARG 32 2.172 7.263 4.354 234 2HD ARG 32 2HD ARG 32 1.189 6.735 3.002 235 HE ARG 32 HE ARG 32 2.880 4.595 3.687 236 1HH1 ARG 32 1HH2 ARG 32 0.267 6.384 5.158 237 2HH1 ARG 32 2HH2 ARG 32 -0.266 5.021 6.118 238 1HH2 ARG 32 1HH1 ARG 32 2.184 2.870 4.902 239 2HH2 ARG 32 2HH1 ARG 32 0.812 3.048 5.973 240 H TYR 33 H TYR 33 4.400 5.970 -1.549 241 HA TYR 33 HA TYR 33 6.402 7.869 -1.318 242 1HB TYR 33 1HB TYR 33 6.610 5.759 -2.491 243 2HB TYR 33 2HB TYR 33 5.405 6.263 -3.659 244 HD1 TYR 33 1HD TYR 33 6.154 6.995 -5.730 245 HD2 TYR 33 2HD TYR 33 8.657 7.467 -2.264 246 HE1 TYR 33 1HE TYR 33 7.970 7.893 -7.183 247 HE2 TYR 33 2HE TYR 33 10.378 8.536 -3.692 248 HH TYR 33 HH TYR 33 11.073 8.988 -5.745 249 H LEU 34 H LEU 34 3.548 7.757 -3.470 250 HA LEU 34 HA LEU 34 4.188 10.310 -4.649 251 1HB LEU 34 1HB LEU 34 2.463 9.897 -6.042 252 2HB LEU 34 2HB LEU 34 2.806 8.265 -5.506 253 HG LEU 34 HG LEU 34 0.976 8.925 -3.700 254 1HD1 LEU 34 1HD1 LEU 34 0.579 11.173 -4.512 255 2HD1 LEU 34 2HD1 LEU 34 0.164 10.519 -6.136 256 3HD1 LEU 34 3HD1 LEU 34 -0.889 10.155 -4.723 257 1HD2 LEU 34 1HD2 LEU 34 0.384 7.917 -6.475 258 2HD2 LEU 34 2HD2 LEU 34 0.919 6.940 -5.062 259 3HD2 LEU 34 3HD2 LEU 34 -0.690 7.742 -5.044 260 H ARG 35 H ARG 35 2.363 9.198 -1.874 261 HA ARG 35 HA ARG 35 0.901 11.591 -1.408 262 1HB ARG 35 1HB ARG 35 0.945 9.082 -0.318 263 2HB ARG 35 2HB ARG 35 1.643 10.056 0.960 264 1HG ARG 35 1HG ARG 35 -0.743 11.188 -0.355 265 2HG ARG 35 2HG ARG 35 -1.018 9.751 0.608 266 1HD ARG 35 1HD ARG 35 0.660 11.382 2.155 267 2HD ARG 35 2HD ARG 35 -0.549 12.457 1.480 268 HE ARG 35 HE ARG 35 -2.052 10.367 2.383 269 1HH1 ARG 35 1HH2 ARG 35 0.375 12.366 3.914 270 2HH1 ARG 35 2HH2 ARG 35 -0.333 12.184 5.504 271 1HH2 ARG 35 1HH1 ARG 35 -2.934 10.149 4.419 272 2HH2 ARG 35 2HH1 ARG 35 -2.186 10.945 5.787 273 H GLN 36 H GLN 36 4.035 10.394 -0.249 274 HA GLN 36 HA GLN 36 4.536 12.778 1.288 275 1HB GLN 36 1HB GLN 36 5.529 10.157 1.225 276 2HB GLN 36 2HB GLN 36 6.878 11.195 0.808 277 1HG GLN 36 1HG GLN 36 6.092 12.639 2.807 278 2HG GLN 36 2HG GLN 36 5.199 11.211 3.290 279 1HE2 GLN 36 2HE2 GLN 36 7.372 12.534 4.690 280 2HE2 GLN 36 1HE2 GLN 36 8.638 11.339 4.862 281 H SER 37 H SER 37 7.189 13.275 0.819 282 HA SER 37 HA SER 37 7.437 13.950 -2.038 283 1HB SER 37 1HB SER 37 6.340 15.808 -0.605 284 2HB SER 37 2HB SER 37 7.960 16.053 0.017 285 HG SER 37 HG SER 37 7.514 17.366 -1.812 286 H SER 38 H SER 38 9.670 15.630 -1.731 287 HA SER 38 HA SER 38 11.823 13.946 -1.728 288 1HB SER 38 1HB SER 38 13.233 15.839 -1.444 289 2HB SER 38 2HB SER 38 11.854 16.316 -2.415 290 HG SER 38 HG SER 38 12.374 17.858 -0.814 291 H SER 39 H SER 39 12.654 12.601 -0.329 292 HA SER 39 HA SER 39 13.383 13.303 2.296 293 1HB SER 39 1HB SER 39 11.824 11.931 3.607 294 2HB SER 39 2HB SER 39 11.076 13.347 2.897 295 HG SER 39 HG SER 39 9.788 11.487 2.710 296 H ARG 40 H ARG 40 15.253 12.251 2.110 297 HA ARG 40 HA ARG 40 15.567 9.758 0.808 298 1HB ARG 40 1HB ARG 40 17.779 9.808 1.523 299 2HB ARG 40 2HB ARG 40 17.331 11.499 1.427 300 1HG ARG 40 1HG ARG 40 16.630 10.831 4.009 301 2HG ARG 40 2HG ARG 40 18.097 9.907 3.756 302 1HD ARG 40 1HD ARG 40 19.349 11.857 3.252 303 2HD ARG 40 2HD ARG 40 17.901 12.834 3.116 304 HE ARG 40 HE ARG 40 18.060 11.697 5.729 305 1HH1 ARG 40 1HH2 ARG 40 19.546 14.176 3.753 306 2HH1 ARG 40 2HH2 ARG 40 19.991 15.155 5.133 307 1HH2 ARG 40 1HH1 ARG 40 18.640 12.978 7.474 308 2HH2 ARG 40 2HH1 ARG 40 19.485 14.487 7.209 309 H ARG 41 H ARG 41 16.857 7.983 2.272 310 HA ARG 41 HA ARG 41 14.929 6.565 3.713 311 1HB ARG 41 1HB ARG 41 16.683 5.112 4.403 312 2HB ARG 41 2HB ARG 41 17.053 5.655 2.778 313 1HG ARG 41 1HG ARG 41 18.186 7.480 4.697 314 2HG ARG 41 2HG ARG 41 18.703 5.844 5.056 315 1HD ARG 41 1HD ARG 41 19.734 5.582 2.976 316 2HD ARG 41 2HD ARG 41 18.827 6.897 2.257 317 HE ARG 41 HE ARG 41 20.464 7.870 4.393 318 1HH1 ARG 41 1HH2 ARG 41 20.566 6.903 1.034 319 2HH1 ARG 41 2HH2 ARG 41 21.983 7.870 0.692 320 1HH2 ARG 41 1HH1 ARG 41 22.291 9.075 3.936 321 2HH2 ARG 41 2HH1 ARG 41 22.948 9.084 2.315 322 H SER 42 H SER 42 15.330 5.797 6.057 323 HA SER 42 HA SER 42 15.197 8.196 7.737 324 1HB SER 42 1HB SER 42 13.630 6.092 7.781 325 2HB SER 42 2HB SER 42 14.894 5.424 8.794 326 HG SER 42 HG SER 42 13.288 6.527 10.009 327 H THR 43 H THR 43 16.021 6.672 10.087 328 HA THR 43 HA THR 43 18.835 7.315 10.025 329 HB THR 43 HB THR 43 18.704 7.086 12.384 330 HG1 THR 43 1HG THR 43 16.894 6.068 13.345 331 1HG2 THR 43 1HG2 THR 43 17.240 8.962 11.546 332 2HG2 THR 43 2HG2 THR 43 15.871 7.799 11.489 333 3HG2 THR 43 3HG2 THR 43 16.622 8.224 13.065 334 H GLY 44 H GLY 44 20.008 5.934 8.805 335 1HA GLY 44 1HA GLY 44 20.349 3.232 9.883 336 2HA GLY 44 2HA GLY 44 19.762 3.315 8.235 337 H GLU 45 H GLU 45 21.274 3.122 6.748 338 HA GLU 45 HA GLU 45 23.772 4.630 7.059 339 1HB GLU 45 1HB GLU 45 24.120 2.359 8.113 340 2HB GLU 45 2HB GLU 45 23.890 1.677 6.515 341 1HG GLU 45 1HG GLU 45 26.070 2.043 6.123 342 2HG GLU 45 2HG GLU 45 25.734 3.761 6.173 343 H GLU 46 H GLU 46 22.550 1.941 5.050 344 HA GLU 46 HA GLU 46 22.621 3.733 2.711 345 1HB GLU 46 1HB GLU 46 24.675 2.055 3.067 346 2HB GLU 46 2HB GLU 46 23.559 0.969 2.263 347 1HG GLU 46 1HG GLU 46 24.326 1.886 0.341 348 2HG GLU 46 2HG GLU 46 23.331 3.264 0.762 349 H VAL 47 H VAL 47 22.030 1.598 0.900 350 HA VAL 47 HA VAL 47 19.520 0.433 1.856 351 HB VAL 47 HB VAL 47 19.676 2.308 -0.480 352 1HG1 VAL 47 1HG1 VAL 47 18.171 0.429 -0.961 353 2HG1 VAL 47 2HG1 VAL 47 17.323 0.722 0.597 354 3HG1 VAL 47 3HG1 VAL 47 17.248 1.952 -0.712 355 1HG2 VAL 47 1HG2 VAL 47 18.180 2.532 2.157 356 2HG2 VAL 47 2HG2 VAL 47 19.623 3.491 1.678 357 3HG2 VAL 47 3HG2 VAL 47 18.073 3.696 0.790 358 H LEU 48 H LEU 48 22.159 -0.575 1.170 359 HA LEU 48 HA LEU 48 21.394 -2.231 -1.164 360 1HB LEU 48 1HB LEU 48 24.108 -1.279 -0.348 361 2HB LEU 48 2HB LEU 48 23.826 -2.502 -1.571 362 HG LEU 48 HG LEU 48 22.604 0.220 -1.762 363 1HD1 LEU 48 1HD1 LEU 48 25.014 0.562 -1.524 364 2HD1 LEU 48 2HD1 LEU 48 25.312 -0.647 -2.822 365 3HD1 LEU 48 3HD1 LEU 48 24.486 0.903 -3.210 366 1HD2 LEU 48 1HD2 LEU 48 23.295 -1.850 -3.857 367 2HD2 LEU 48 2HD2 LEU 48 21.651 -1.488 -3.226 368 3HD2 LEU 48 3HD2 LEU 48 22.546 -0.246 -4.168 369 H ARG 49 H ARG 49 20.775 -2.559 1.723 370 HA ARG 49 HA ARG 49 22.416 -4.793 2.571 371 1HB ARG 49 1HB ARG 49 21.040 -2.971 3.942 372 2HB ARG 49 2HB ARG 49 19.820 -4.226 3.871 373 1HG ARG 49 1HG ARG 49 20.883 -5.339 5.505 374 2HG ARG 49 2HG ARG 49 22.292 -5.484 4.474 375 1HD ARG 49 1HD ARG 49 22.914 -3.137 5.246 376 2HD ARG 49 2HD ARG 49 21.679 -3.326 6.475 377 HE ARG 49 HE ARG 49 23.012 -4.877 7.602 378 1HH1 ARG 49 1HH2 ARG 49 24.429 -4.119 4.484 379 2HH1 ARG 49 2HH2 ARG 49 25.939 -4.915 4.866 380 1HH2 ARG 49 1HH1 ARG 49 24.963 -5.882 8.051 381 2HH2 ARG 49 2HH1 ARG 49 26.236 -5.896 6.850 382 H MET 50 H MET 50 21.833 -6.940 2.700 383 HA MET 50 HA MET 50 20.484 -8.227 0.717 384 1HB MET 50 1HB MET 50 21.270 -8.855 3.415 385 2HB MET 50 2HB MET 50 19.780 -9.675 2.991 386 1HG MET 50 1HG MET 50 20.875 -10.518 0.944 387 2HG MET 50 2HG MET 50 22.371 -9.775 1.471 388 1HE MET 50 1HE MET 50 24.076 -11.434 2.022 389 2HE MET 50 2HE MET 50 23.783 -10.465 3.508 390 3HE MET 50 3HE MET 50 24.011 -12.245 3.625 391 HA PRO 51 HA PRO 51 16.297 -7.902 2.928 392 1HB PRO 51 1HB PRO 51 16.062 -6.287 5.148 393 2HB PRO 51 2HB PRO 51 16.337 -8.016 5.198 394 1HG PRO 51 1HG PRO 51 18.218 -5.827 5.747 395 2HG PRO 51 2HG PRO 51 18.314 -7.510 6.222 396 1HD PRO 51 1HD PRO 51 19.684 -6.252 4.092 397 2HD PRO 51 2HD PRO 51 19.679 -7.958 4.489 398 H GLY 52 H GLY 52 16.966 -6.520 0.836 399 1HA GLY 52 1HA GLY 52 15.491 -4.793 -0.153 400 2HA GLY 52 2HA GLY 52 15.890 -3.784 1.223 401 H ASP 53 H ASP 53 17.026 -5.221 -1.740 402 HA ASP 53 HA ASP 53 18.806 -3.011 -2.246 403 1HB ASP 53 1HB ASP 53 20.421 -4.019 -0.922 404 2HB ASP 53 2HB ASP 53 19.918 -5.634 -1.376 405 H GLU 54 H GLU 54 19.006 -6.452 -3.080 406 HA GLU 54 HA GLU 54 19.274 -5.990 -5.862 407 1HB GLU 54 1HB GLU 54 18.717 -8.498 -5.960 408 2HB GLU 54 2HB GLU 54 20.177 -8.007 -5.124 409 1HG GLU 54 1HG GLU 54 17.845 -8.086 -3.374 410 2HG GLU 54 2HG GLU 54 18.209 -9.643 -4.092 411 H ASN 55 H ASN 55 17.576 -4.605 -6.459 412 HA ASN 55 HA ASN 55 14.959 -5.920 -6.768 413 1HB ASN 55 1HB ASN 55 14.514 -4.552 -4.873 414 2HB ASN 55 2HB ASN 55 15.454 -3.225 -5.525 415 1HD2 ASN 55 2HD2 ASN 55 14.289 -1.623 -6.472 416 2HD2 ASN 55 1HD2 ASN 55 12.697 -1.837 -7.165 417 H GLN 56 H GLN 56 14.545 -5.920 -8.866 418 HA GLN 56 HA GLN 56 15.992 -4.757 -10.865 419 1HB GLN 56 1HB GLN 56 13.506 -6.072 -10.647 420 2HB GLN 56 2HB GLN 56 13.274 -4.673 -11.677 421 1HG GLN 56 1HG GLN 56 15.729 -6.214 -12.180 422 2HG GLN 56 2HG GLN 56 14.234 -7.050 -12.549 423 1HE2 GLN 56 2HE2 GLN 56 13.835 -6.952 -14.661 424 2HE2 GLN 56 1HE2 GLN 56 14.014 -5.528 -15.661 425 H GLN 57 H GLN 57 16.726 -2.711 -10.736 426 HA GLN 57 HA GLN 57 14.982 -0.566 -11.378 427 1HB GLN 57 1HB GLN 57 14.666 -1.049 -8.777 428 2HB GLN 57 2HB GLN 57 16.108 -0.058 -8.688 429 1HG GLN 57 1HG GLN 57 14.199 1.397 -8.553 430 2HG GLN 57 2HG GLN 57 14.956 1.634 -10.115 431 1HE2 GLN 57 2HE2 GLN 57 12.316 -0.129 -8.482 432 2HE2 GLN 57 1HE2 GLN 57 11.251 -0.154 -9.870 433 H GLN 58 H GLN 58 16.100 0.923 -12.405 434 HA GLN 58 HA GLN 58 18.970 0.619 -12.576 435 1HB GLN 58 1HB GLN 58 16.880 2.111 -13.969 436 2HB GLN 58 2HB GLN 58 18.417 2.944 -13.871 437 1HG GLN 58 1HG GLN 58 19.287 1.626 -15.441 438 2HG GLN 58 2HG GLN 58 18.860 0.195 -14.524 439 1HE2 GLN 58 2HE2 GLN 58 18.743 -0.470 -16.926 440 2HE2 GLN 58 1HE2 GLN 58 17.150 -0.378 -17.643 441 H GLU 59 H GLU 59 17.139 3.612 -12.028 442 HA GLU 59 HA GLU 59 18.964 4.259 -9.807 443 1HB GLU 59 1HB GLU 59 18.919 6.664 -10.784 444 2HB GLU 59 2HB GLU 59 20.090 5.496 -11.361 445 1HG GLU 59 1HG GLU 59 19.021 5.225 -13.393 446 2HG GLU 59 2HG GLU 59 17.464 5.714 -12.757 447 H SER 60 H SER 60 16.970 3.503 -8.723 448 HA SER 60 HA SER 60 15.458 5.790 -7.868 449 1HB SER 60 1HB SER 60 14.379 5.004 -10.104 450 2HB SER 60 2HB SER 60 13.732 3.707 -9.119 451 HG SER 60 HG SER 60 12.328 5.512 -9.222 452 H GLN 61 H GLN 61 16.718 4.819 -6.057 453 HA GLN 61 HA GLN 61 15.938 2.262 -5.028 454 1HB GLN 61 1HB GLN 61 17.161 2.871 -3.067 455 2HB GLN 61 2HB GLN 61 18.040 3.464 -4.461 456 1HG GLN 61 1HG GLN 61 17.048 5.698 -4.107 457 2HG GLN 61 2HG GLN 61 16.237 5.092 -2.676 458 1HE2 GLN 61 2HE2 GLN 61 18.043 7.286 -2.739 459 2HE2 GLN 61 1HE2 GLN 61 19.420 6.854 -1.750 460 H GLN 62 H GLN 62 14.211 5.141 -5.263 461 HA GLN 62 HA GLN 62 12.774 5.062 -2.803 462 1HB GLN 62 1HB GLN 62 12.556 6.465 -5.396 463 2HB GLN 62 2HB GLN 62 11.122 6.399 -4.391 464 1HG GLN 62 1HG GLN 62 13.823 7.435 -3.542 465 2HG GLN 62 2HG GLN 62 12.425 8.419 -3.928 466 1HE2 GLN 62 2HE2 GLN 62 13.971 6.408 -1.561 467 2HE2 GLN 62 1HE2 GLN 62 12.824 6.667 -0.266 468 H LEU 63 H LEU 63 11.955 4.029 -6.116 469 HA LEU 63 HA LEU 63 9.451 2.867 -5.385 470 1HB LEU 63 1HB LEU 63 11.247 2.829 -7.738 471 2HB LEU 63 2HB LEU 63 10.091 1.519 -7.603 472 HG LEU 63 HG LEU 63 8.269 2.995 -7.657 473 1HD1 LEU 63 1HD1 LEU 63 9.103 4.775 -6.208 474 2HD1 LEU 63 2HD1 LEU 63 10.223 5.301 -7.513 475 3HD1 LEU 63 3HD1 LEU 63 8.445 5.440 -7.744 476 1HD2 LEU 63 1HD2 LEU 63 10.319 3.931 -9.663 477 2HD2 LEU 63 2HD2 LEU 63 9.228 2.510 -9.828 478 3HD2 LEU 63 3HD2 LEU 63 8.541 4.171 -9.788 479 H GLN 64 H GLN 64 12.794 1.725 -5.319 480 HA GLN 64 HA GLN 64 12.421 -1.005 -5.104 481 1HB GLN 64 1HB GLN 64 14.619 -0.257 -5.149 482 2HB GLN 64 2HB GLN 64 14.364 0.855 -3.819 483 1HG GLN 64 1HG GLN 64 14.147 -0.994 -2.269 484 2HG GLN 64 2HG GLN 64 14.285 -2.145 -3.582 485 1HE2 GLN 64 2HE2 GLN 64 15.885 -1.734 -1.122 486 2HE2 GLN 64 1HE2 GLN 64 17.529 -1.485 -1.664 487 H GLN 65 H GLN 65 11.565 1.479 -2.800 488 HA GLN 65 HA GLN 65 11.189 -0.301 -0.597 489 1HB GLN 65 1HB GLN 65 11.213 2.434 -0.953 490 2HB GLN 65 2HB GLN 65 9.531 2.085 -0.611 491 1HG GLN 65 1HG GLN 65 10.194 2.165 1.547 492 2HG GLN 65 2HG GLN 65 10.757 0.533 1.241 493 1HE2 GLN 65 2HE2 GLN 65 12.358 0.725 2.860 494 2HE2 GLN 65 1HE2 GLN 65 13.816 1.654 2.589 495 H CYS 66 H CYS 66 9.111 0.840 -3.254 496 HA CYS 66 HA CYS 66 6.728 -0.346 -2.226 497 1HB CYS 66 1HB CYS 66 6.513 1.410 -3.793 498 2HB CYS 66 2HB CYS 66 7.585 0.610 -4.926 499 H CYS 67 H CYS 67 9.161 -1.375 -4.704 500 HA CYS 67 HA CYS 67 7.894 -3.834 -5.266 501 1HB CYS 67 1HB CYS 67 9.905 -2.600 -6.373 502 2HB CYS 67 2HB CYS 67 10.848 -3.588 -5.274 503 H ASN 68 H ASN 68 10.533 -3.056 -2.982 504 HA ASN 68 HA ASN 68 10.699 -5.633 -1.821 505 1HB ASN 68 1HB ASN 68 12.341 -3.771 -1.514 506 2HB ASN 68 2HB ASN 68 11.178 -2.989 -0.461 507 1HD2 ASN 68 2HD2 ASN 68 12.403 -3.077 1.393 508 2HD2 ASN 68 1HD2 ASN 68 12.773 -4.577 2.212 509 H GLN 69 H GLN 69 8.417 -3.031 -1.427 510 HA GLN 69 HA GLN 69 7.318 -3.992 1.064 511 1HB GLN 69 1HB GLN 69 6.703 -1.814 -0.833 512 2HB GLN 69 2HB GLN 69 5.404 -2.382 0.196 513 1HG GLN 69 1HG GLN 69 7.981 -1.939 1.547 514 2HG GLN 69 2HG GLN 69 7.194 -0.496 0.940 515 1HE2 GLN 69 2HE2 GLN 69 7.319 -2.803 3.403 516 2HE2 GLN 69 1HE2 GLN 69 5.874 -2.318 4.261 517 H VAL 70 H VAL 70 6.320 -4.080 -2.336 518 HA VAL 70 HA VAL 70 3.973 -5.645 -1.850 519 HB VAL 70 HB VAL 70 5.443 -5.261 -4.434 520 1HG1 VAL 70 1HG1 VAL 70 3.724 -7.005 -4.457 521 2HG1 VAL 70 2HG1 VAL 70 2.539 -5.829 -3.790 522 3HG1 VAL 70 3HG1 VAL 70 3.223 -5.581 -5.435 523 1HG2 VAL 70 1HG2 VAL 70 3.303 -3.523 -3.173 524 2HG2 VAL 70 2HG2 VAL 70 5.029 -3.074 -3.398 525 3HG2 VAL 70 3HG2 VAL 70 3.972 -3.329 -4.830 526 H LYS 71 H LYS 71 7.263 -6.335 -1.769 527 HA LYS 71 HA LYS 71 7.126 -9.016 -2.810 528 1HB LYS 71 1HB LYS 71 9.163 -7.502 -2.663 529 2HB LYS 71 2HB LYS 71 9.206 -7.900 -0.958 530 1HG LYS 71 1HG LYS 71 8.887 -10.349 -2.287 531 2HG LYS 71 2HG LYS 71 10.092 -9.473 -3.210 532 1HD LYS 71 1HD LYS 71 11.614 -9.489 -1.499 533 2HD LYS 71 2HD LYS 71 10.378 -9.435 -0.258 534 1HE LYS 71 1HE LYS 71 10.980 -11.612 0.035 535 2HE LYS 71 2HE LYS 71 9.875 -11.871 -1.299 536 1HZ LYS 71 1HZ LYS 71 11.728 -11.728 -2.799 537 2HZ LYS 71 2HZ LYS 71 12.772 -11.485 -1.538 538 3HZ LYS 71 3HZ LYS 71 11.978 -12.930 -1.687 539 H GLN 72 H GLN 72 6.363 -7.460 0.189 540 HA GLN 72 HA GLN 72 6.183 -10.056 1.542 541 1HB GLN 72 1HB GLN 72 6.198 -7.216 2.459 542 2HB GLN 72 2HB GLN 72 5.523 -8.463 3.488 543 1HG GLN 72 1HG GLN 72 8.275 -8.620 2.275 544 2HG GLN 72 2HG GLN 72 7.963 -7.982 3.877 545 1HE2 GLN 72 2HE2 GLN 72 8.681 -10.740 2.081 546 2HE2 GLN 72 1HE2 GLN 72 8.302 -11.952 3.284 547 H VAL 73 H VAL 73 4.296 -8.584 -0.621 548 HA VAL 73 HA VAL 73 1.792 -8.477 0.727 549 HB VAL 73 HB VAL 73 2.713 -8.497 -2.077 550 1HG1 VAL 73 1HG1 VAL 73 0.694 -9.821 -2.189 551 2HG1 VAL 73 2HG1 VAL 73 -0.185 -8.555 -1.263 552 3HG1 VAL 73 3HG1 VAL 73 0.443 -8.191 -2.908 553 1HG2 VAL 73 1HG2 VAL 73 1.176 -6.512 -0.400 554 2HG2 VAL 73 2HG2 VAL 73 2.920 -6.438 -0.828 555 3HG2 VAL 73 3HG2 VAL 73 1.671 -6.270 -2.110 556 H ARG 74 H ARG 74 -0.047 -9.865 0.361 557 HA ARG 74 HA ARG 74 0.656 -12.669 0.522 558 1HB ARG 74 1HB ARG 74 -2.001 -11.306 0.575 559 2HB ARG 74 2HB ARG 74 -1.714 -12.999 0.927 560 1HG ARG 74 1HG ARG 74 -0.900 -10.590 2.508 561 2HG ARG 74 2HG ARG 74 -1.769 -12.013 3.045 562 1HD ARG 74 1HD ARG 74 0.429 -13.267 2.437 563 2HD ARG 74 2HD ARG 74 1.157 -11.676 2.538 564 HE ARG 74 HE ARG 74 -0.127 -11.763 4.882 565 1HH1 ARG 74 1HH2 ARG 74 2.014 -14.057 3.338 566 2HH1 ARG 74 2HH2 ARG 74 2.548 -14.734 4.860 567 1HH2 ARG 74 1HH1 ARG 74 0.537 -12.672 6.801 568 2HH2 ARG 74 2HH1 ARG 74 1.721 -13.959 6.794 569 H ASP 75 H ASP 75 -1.688 -10.927 -1.483 570 HA ASP 75 HA ASP 75 -1.103 -11.655 -3.994 571 1HB ASP 75 1HB ASP 75 -2.425 -13.776 -4.333 572 2HB ASP 75 2HB ASP 75 -0.822 -13.932 -3.642 573 H GLU 76 H GLU 76 -3.742 -12.119 -1.648 574 HA GLU 76 HA GLU 76 -5.622 -11.106 -3.727 575 1HB GLU 76 1HB GLU 76 -7.422 -12.137 -2.470 576 2HB GLU 76 2HB GLU 76 -6.203 -13.341 -2.836 577 1HG GLU 76 1HG GLU 76 -6.213 -13.833 -0.651 578 2HG GLU 76 2HG GLU 76 -5.391 -12.305 -0.401 579 H CYS 77 H CYS 77 -3.731 -10.217 -1.198 580 HA CYS 77 HA CYS 77 -5.603 -8.190 -0.206 581 1HB CYS 77 1HB CYS 77 -2.910 -8.653 0.932 582 2HB CYS 77 2HB CYS 77 -4.371 -8.085 1.715 583 H GLN 78 H GLN 78 -3.399 -8.629 -2.656 584 HA GLN 78 HA GLN 78 -1.808 -6.292 -2.504 585 1HB GLN 78 1HB GLN 78 -1.386 -6.723 -4.836 586 2HB GLN 78 2HB GLN 78 -1.373 -8.231 -3.943 587 1HG GLN 78 1HG GLN 78 -3.723 -8.608 -4.702 588 2HG GLN 78 2HG GLN 78 -3.559 -7.198 -5.727 589 1HE2 GLN 78 2HE2 GLN 78 -1.219 -9.785 -4.976 590 2HE2 GLN 78 1HE2 GLN 78 -0.917 -10.208 -6.647 591 H CYS 79 H CYS 79 -4.958 -6.967 -4.096 592 HA CYS 79 HA CYS 79 -5.199 -4.291 -5.115 593 1HB CYS 79 1HB CYS 79 -6.606 -6.770 -5.273 594 2HB CYS 79 2HB CYS 79 -7.714 -5.460 -4.920 595 H GLU 80 H GLU 80 -6.969 -6.160 -2.603 596 HA GLU 80 HA GLU 80 -8.454 -4.134 -1.479 597 1HB GLU 80 1HB GLU 80 -8.421 -6.551 -0.791 598 2HB GLU 80 2HB GLU 80 -6.975 -6.199 0.134 599 1HG GLU 80 1HG GLU 80 -8.832 -6.062 1.646 600 2HG GLU 80 2HG GLU 80 -8.288 -4.424 1.344 601 H ALA 81 H ALA 81 -4.975 -4.633 -1.159 602 HA ALA 81 HA ALA 81 -4.541 -2.687 0.862 603 1HB ALA 81 1HB ALA 81 -2.947 -4.424 0.330 604 2HB ALA 81 2HB ALA 81 -2.759 -3.744 -1.323 605 3HB ALA 81 3HB ALA 81 -2.217 -2.797 0.106 606 H ILE 82 H ILE 82 -4.158 -2.466 -2.707 607 HA ILE 82 HA ILE 82 -3.626 0.276 -2.824 608 HB ILE 82 HB ILE 82 -5.026 -1.537 -4.738 609 1HG1 ILE 82 1HG1 ILE 82 -2.687 -2.051 -4.120 610 2HG1 ILE 82 2HG1 ILE 82 -2.930 -1.726 -5.825 611 1HG2 ILE 82 1HG2 ILE 82 -5.695 0.748 -5.240 612 2HG2 ILE 82 2HG2 ILE 82 -3.969 1.249 -5.242 613 3HG2 ILE 82 3HG2 ILE 82 -4.575 0.112 -6.495 614 1HD1 ILE 82 1HD1 ILE 82 -2.084 0.572 -5.532 615 2HD1 ILE 82 2HD1 ILE 82 -1.835 0.238 -3.783 616 3HD1 ILE 82 3HD1 ILE 82 -0.872 -0.651 -5.013 617 H LYS 83 H LYS 83 -6.823 -1.388 -2.850 618 HA LYS 83 HA LYS 83 -8.268 1.085 -2.955 619 1HB LYS 83 1HB LYS 83 -8.832 -1.765 -2.717 620 2HB LYS 83 2HB LYS 83 -9.969 -0.765 -1.836 621 1HG LYS 83 1HG LYS 83 -10.790 -1.052 -4.093 622 2HG LYS 83 2HG LYS 83 -10.274 0.610 -3.893 623 1HD LYS 83 1HD LYS 83 -8.024 -0.192 -4.877 624 2HD LYS 83 2HD LYS 83 -8.922 -1.599 -5.409 625 1HE LYS 83 1HE LYS 83 -9.358 1.270 -6.196 626 2HE LYS 83 2HE LYS 83 -8.928 -0.076 -7.233 627 1HZ LYS 83 1HZ LYS 83 -11.064 -1.046 -6.779 628 2HZ LYS 83 2HZ LYS 83 -11.470 0.225 -5.798 629 3HZ LYS 83 3HZ LYS 83 -11.246 0.469 -7.420 630 H TYR 84 H TYR 84 -6.379 -0.191 -0.566 631 HA TYR 84 HA TYR 84 -7.840 1.094 1.647 632 1HB TYR 84 1HB TYR 84 -7.358 -1.036 2.289 633 2HB TYR 84 2HB TYR 84 -5.881 -1.097 1.347 634 HD1 TYR 84 1HD TYR 84 -3.776 -0.837 2.346 635 HD2 TYR 84 2HD TYR 84 -7.367 0.442 4.378 636 HE1 TYR 84 1HE TYR 84 -2.436 -0.323 4.380 637 HE2 TYR 84 2HE TYR 84 -6.009 1.009 6.396 638 HH TYR 84 HH TYR 84 -3.833 1.100 7.201 639 H ILE 85 H ILE 85 -5.896 2.178 -0.636 640 HA ILE 85 HA ILE 85 -4.645 4.122 1.122 641 HB ILE 85 HB ILE 85 -3.032 2.328 1.204 642 1HG1 ILE 85 1HG1 ILE 85 -2.125 4.656 -0.458 643 2HG1 ILE 85 2HG1 ILE 85 -2.241 4.610 1.290 644 1HG2 ILE 85 1HG2 ILE 85 -3.550 1.166 -0.885 645 2HG2 ILE 85 2HG2 ILE 85 -2.902 2.560 -1.819 646 3HG2 ILE 85 3HG2 ILE 85 -1.800 1.573 -0.796 647 1HD1 ILE 85 1HD1 ILE 85 -0.543 2.813 1.379 648 2HD1 ILE 85 2HD1 ILE 85 -0.424 2.860 -0.415 649 3HD1 ILE 85 3HD1 ILE 85 0.095 4.280 0.558 650 H ALA 86 H ALA 86 -4.405 2.878 -2.234 651 HA ALA 86 HA ALA 86 -4.178 5.346 -3.500 652 1HB ALA 86 1HB ALA 86 -3.734 3.205 -4.578 653 2HB ALA 86 2HB ALA 86 -5.480 2.794 -4.456 654 3HB ALA 86 3HB ALA 86 -4.948 4.160 -5.498 655 H GLU 87 H GLU 87 -7.157 3.370 -3.080 656 HA GLU 87 HA GLU 87 -8.805 5.567 -3.919 657 1HB GLU 87 1HB GLU 87 -9.260 3.021 -3.989 658 2HB GLU 87 2HB GLU 87 -9.797 3.247 -2.336 659 1HG GLU 87 1HG GLU 87 -10.834 5.148 -4.366 660 2HG GLU 87 2HG GLU 87 -11.452 3.509 -4.423 661 H ASP 88 H ASP 88 -7.792 4.242 -0.794 662 HA ASP 88 HA ASP 88 -9.546 5.629 0.899 663 1HB ASP 88 1HB ASP 88 -7.822 3.891 1.532 664 2HB ASP 88 2HB ASP 88 -6.627 5.165 1.409 665 H GLN 89 H GLN 89 -6.178 6.572 -0.031 666 HA GLN 89 HA GLN 89 -6.337 9.152 1.038 667 1HB GLN 89 1HB GLN 89 -4.336 9.558 -0.082 668 2HB GLN 89 2HB GLN 89 -4.312 7.826 0.182 669 1HG GLN 89 1HG GLN 89 -5.003 7.422 -2.094 670 2HG GLN 89 2HG GLN 89 -5.202 9.140 -2.375 671 1HE2 GLN 89 2HE2 GLN 89 -3.068 10.320 -1.428 672 2HE2 GLN 89 1HE2 GLN 89 -1.612 9.739 -2.204 673 H ILE 90 H ILE 90 -7.431 7.852 -2.114 674 HA ILE 90 HA ILE 90 -7.872 10.348 -3.334 675 HB ILE 90 HB ILE 90 -8.898 7.600 -3.716 676 1HG1 ILE 90 1HG1 ILE 90 -7.456 9.313 -5.684 677 2HG1 ILE 90 2HG1 ILE 90 -6.602 8.424 -4.439 678 1HG2 ILE 90 1HG2 ILE 90 -10.815 8.991 -4.240 679 2HG2 ILE 90 2HG2 ILE 90 -9.787 10.008 -5.308 680 3HG2 ILE 90 3HG2 ILE 90 -10.105 8.291 -5.735 681 1HD1 ILE 90 1HD1 ILE 90 -7.590 6.297 -5.248 682 2HD1 ILE 90 2HD1 ILE 90 -8.466 7.210 -6.525 683 3HD1 ILE 90 3HD1 ILE 90 -6.670 7.129 -6.549 684 H GLN 91 H GLN 91 -9.966 8.317 -1.299 685 HA GLN 91 HA GLN 91 -12.132 10.232 -1.430 686 1HB GLN 91 1HB GLN 91 -13.208 8.755 0.183 687 2HB GLN 91 2HB GLN 91 -12.598 7.863 -1.196 688 1HG GLN 91 1HG GLN 91 -10.760 7.047 0.043 689 2HG GLN 91 2HG GLN 91 -11.107 8.124 1.380 690 1HE2 GLN 91 2HE2 GLN 91 -10.850 6.122 2.606 691 2HE2 GLN 91 1HE2 GLN 91 -12.296 5.169 2.850 692 H GLN 92 H GLN 92 -9.375 9.653 0.672 693 HA GLN 92 HA GLN 92 -10.439 11.182 2.877 694 1HB GLN 92 1HB GLN 92 -8.588 9.218 2.736 695 2HB GLN 92 2HB GLN 92 -7.546 10.627 2.715 696 1HG GLN 92 1HG GLN 92 -9.728 10.765 4.673 697 2HG GLN 92 2HG GLN 92 -8.562 9.492 4.982 698 1HE2 GLN 92 2HE2 GLN 92 -6.319 10.044 5.256 699 2HE2 GLN 92 1HE2 GLN 92 -5.860 11.661 5.743 700 H GLY 93 H GLY 93 -7.689 11.530 0.655 701 1HA GLY 93 1HA GLY 93 -7.118 14.225 1.164 702 2HA GLY 93 2HA GLY 93 -6.676 13.321 -0.269 703 H GLN 94 H GLN 94 -7.092 15.750 -0.936 704 HA GLN 94 HA GLN 94 -9.908 16.254 -1.504 705 1HB GLN 94 1HB GLN 94 -7.521 17.820 -1.281 706 2HB GLN 94 2HB GLN 94 -8.300 18.141 -2.816 707 1HG GLN 94 1HG GLN 94 -10.280 18.862 -1.803 708 2HG GLN 94 2HG GLN 94 -9.912 18.053 -0.294 709 1HE2 GLN 94 2HE2 GLN 94 -7.959 18.851 0.900 710 2HE2 GLN 94 1HE2 GLN 94 -7.655 20.574 0.886 711 H LEU 95 H LEU 95 -9.054 13.858 -2.688 712 HA LEU 95 HA LEU 95 -8.546 14.526 -5.486 713 1HB LEU 95 1HB LEU 95 -8.838 11.818 -4.293 714 2HB LEU 95 2HB LEU 95 -8.099 12.256 -5.821 715 HG LEU 95 HG LEU 95 -6.358 11.732 -4.420 716 1HD1 LEU 95 1HD1 LEU 95 -5.901 13.751 -5.667 717 2HD1 LEU 95 2HD1 LEU 95 -6.601 14.739 -4.338 718 3HD1 LEU 95 3HD1 LEU 95 -5.093 13.800 -4.062 719 1HD2 LEU 95 1HD2 LEU 95 -7.572 13.462 -2.295 720 2HD2 LEU 95 2HD2 LEU 95 -7.490 11.666 -2.314 721 3HD2 LEU 95 3HD2 LEU 95 -5.980 12.634 -2.201 722 H HIS 96 H HIS 96 -11.040 15.273 -4.123 723 HA HIS 96 HA HIS 96 -13.018 13.545 -5.415 724 1HB HIS 96 1HB HIS 96 -13.514 15.922 -3.674 725 2HB HIS 96 2HB HIS 96 -14.640 14.650 -4.102 726 HD1 HIS 96 1HD HIS 96 -15.080 13.205 -2.085 727 HD2 HIS 96 2HD HIS 96 -11.122 14.586 -2.373 728 HE1 HIS 96 1HE HIS 96 -13.837 12.236 -0.065 729 HE2 HIS 96 2HE HIS 96 -11.413 13.053 -0.294 730 H GLY 97 H GLY 97 -14.729 14.491 -6.715 731 1HA GLY 97 1HA GLY 97 -15.563 16.146 -8.175 732 2HA GLY 97 2HA GLY 97 -14.087 17.069 -7.980 733 H GLU 98 H GLU 98 -12.086 16.101 -8.929 734 HA GLU 98 HA GLU 98 -12.340 14.095 -10.966 735 1HB GLU 98 1HB GLU 98 -13.494 16.060 -12.034 736 2HB GLU 98 2HB GLU 98 -11.939 16.867 -12.029 737 1HG GLU 98 1HG GLU 98 -11.207 15.667 -13.789 738 2HG GLU 98 2HG GLU 98 -11.763 14.162 -13.085 739 H GLU 99 H GLU 99 -10.701 14.748 -8.699 740 HA GLU 99 HA GLU 99 -8.083 15.276 -9.979 741 1HB GLU 99 1HB GLU 99 -7.855 15.388 -7.164 742 2HB GLU 99 2HB GLU 99 -7.624 16.676 -8.330 743 1HG GLU 99 1HG GLU 99 -10.147 16.967 -8.272 744 2HG GLU 99 2HG GLU 99 -10.124 15.937 -6.855 745 H SER 100 H SER 100 -10.056 12.845 -8.985 746 HA SER 100 HA SER 100 -8.291 11.128 -7.563 747 1HB SER 100 1HB SER 100 -10.408 10.331 -7.388 748 2HB SER 100 2HB SER 100 -10.854 10.871 -8.994 749 HG SER 100 HG SER 100 -10.744 8.586 -8.836 750 H GLU 101 H GLU 101 -8.748 11.847 -10.976 751 HA GLU 101 HA GLU 101 -7.290 9.595 -11.977 752 1HB GLU 101 1HB GLU 101 -8.156 12.227 -13.081 753 2HB GLU 101 2HB GLU 101 -7.004 11.257 -13.976 754 1HG GLU 101 1HG GLU 101 -8.576 9.762 -14.591 755 2HG GLU 101 2HG GLU 101 -9.278 9.716 -12.987 756 H ARG 102 H ARG 102 -6.375 12.691 -10.615 757 HA ARG 102 HA ARG 102 -3.682 12.700 -11.602 758 1HB ARG 102 1HB ARG 102 -5.070 14.059 -9.335 759 2HB ARG 102 2HB ARG 102 -3.358 14.269 -9.643 760 1HG ARG 102 1HG ARG 102 -3.713 15.447 -11.590 761 2HG ARG 102 2HG ARG 102 -5.269 14.697 -11.885 762 1HD ARG 102 1HD ARG 102 -5.102 17.204 -11.062 763 2HD ARG 102 2HD ARG 102 -6.392 16.156 -10.508 764 HE ARG 102 HE ARG 102 -5.604 16.421 -8.368 765 1HH1 ARG 102 1HH2 ARG 102 -2.960 16.999 -10.592 766 2HH1 ARG 102 2HH2 ARG 102 -1.810 17.298 -9.307 767 1HH2 ARG 102 1HH1 ARG 102 -4.079 16.758 -6.743 768 2HH2 ARG 102 2HH1 ARG 102 -2.432 17.164 -7.173 769 H VAL 103 H VAL 103 -5.314 11.101 -8.955 770 HA VAL 103 HA VAL 103 -2.817 10.426 -7.628 771 HB VAL 103 HB VAL 103 -5.707 9.901 -7.240 772 1HG1 VAL 103 1HG1 VAL 103 -4.724 7.669 -6.994 773 2HG1 VAL 103 2HG1 VAL 103 -3.514 8.342 -5.847 774 3HG1 VAL 103 3HG1 VAL 103 -5.258 8.327 -5.408 775 1HG2 VAL 103 1HG2 VAL 103 -3.466 10.851 -5.428 776 2HG2 VAL 103 2HG2 VAL 103 -4.673 11.892 -6.260 777 3HG2 VAL 103 3HG2 VAL 103 -5.204 10.751 -4.977 778 H ALA 104 H ALA 104 -5.048 8.970 -9.943 779 HA ALA 104 HA ALA 104 -3.987 6.342 -9.860 780 1HB ALA 104 1HB ALA 104 -6.150 6.903 -10.876 781 2HB ALA 104 2HB ALA 104 -5.300 7.874 -12.128 782 3HB ALA 104 3HB ALA 104 -5.072 6.093 -12.066 783 H GLN 105 H GLN 105 -3.062 9.257 -11.663 784 HA GLN 105 HA GLN 105 -1.094 7.946 -13.262 785 1HB GLN 105 1HB GLN 105 -0.268 10.222 -13.697 786 2HB GLN 105 2HB GLN 105 -1.990 10.050 -13.969 787 1HG GLN 105 1HG GLN 105 -2.504 11.140 -11.952 788 2HG GLN 105 2HG GLN 105 -0.836 11.082 -11.421 789 1HE2 GLN 105 2HE2 GLN 105 -2.106 13.452 -11.234 790 2HE2 GLN 105 1HE2 GLN 105 -1.511 14.539 -12.469 791 H ARG 106 H ARG 106 -1.063 9.445 -10.052 792 HA ARG 106 HA ARG 106 1.788 9.487 -9.789 793 1HB ARG 106 1HB ARG 106 -0.550 10.151 -8.240 794 2HB ARG 106 2HB ARG 106 0.682 9.379 -7.263 795 1HG ARG 106 1HG ARG 106 0.905 11.826 -7.272 796 2HG ARG 106 2HG ARG 106 2.311 11.035 -7.956 797 1HD ARG 106 1HD ARG 106 2.034 12.444 -9.680 798 2HD ARG 106 2HD ARG 106 0.728 11.377 -10.152 799 HE ARG 106 HE ARG 106 -0.549 13.053 -8.473 800 1HH1 ARG 106 1HH2 ARG 106 1.599 13.665 -11.185 801 2HH1 ARG 106 2HH2 ARG 106 0.837 15.199 -11.543 802 1HH2 ARG 106 1HH1 ARG 106 -1.457 14.999 -8.973 803 2HH2 ARG 106 2HH1 ARG 106 -0.852 15.936 -10.321 804 H ALA 107 H ALA 107 -0.711 7.480 -8.211 805 HA ALA 107 HA ALA 107 1.107 5.649 -7.086 806 1HB ALA 107 1HB ALA 107 -1.223 5.945 -6.387 807 2HB ALA 107 2HB ALA 107 -1.763 5.290 -7.972 808 3HB ALA 107 3HB ALA 107 -0.880 4.233 -6.817 809 H GLY 108 H GLY 108 -0.774 5.561 -10.108 810 1HA GLY 108 1HA GLY 108 -0.119 3.169 -11.210 811 2HA GLY 108 2HA GLY 108 -0.233 4.653 -12.135 812 H GLU 109 H GLU 109 2.007 5.991 -11.014 813 HA GLU 109 HA GLU 109 4.123 5.112 -12.580 814 1HB GLU 109 1HB GLU 109 4.243 6.670 -10.022 815 2HB GLU 109 2HB GLU 109 5.557 6.514 -11.170 816 1HG GLU 109 1HG GLU 109 3.476 7.317 -12.756 817 2HG GLU 109 2HG GLU 109 3.183 8.200 -11.271 818 H ILE 110 H ILE 110 3.789 4.639 -9.060 819 HA ILE 110 HA ILE 110 6.045 2.854 -8.944 820 HB ILE 110 HB ILE 110 3.898 3.087 -6.876 821 1HG1 ILE 110 1HG1 ILE 110 4.282 5.349 -7.108 822 2HG1 ILE 110 2HG1 ILE 110 5.504 4.913 -5.930 823 1HG2 ILE 110 1HG2 ILE 110 5.606 1.373 -6.538 824 2HG2 ILE 110 2HG2 ILE 110 6.889 2.616 -6.742 825 3HG2 ILE 110 3HG2 ILE 110 5.781 2.693 -5.329 826 1HD1 ILE 110 1HD1 ILE 110 7.200 4.757 -7.714 827 2HD1 ILE 110 2HD1 ILE 110 5.946 5.206 -8.922 828 3HD1 ILE 110 3HD1 ILE 110 6.443 6.388 -7.663 829 H VAL 111 H VAL 111 2.608 2.566 -9.432 830 HA VAL 111 HA VAL 111 2.284 -0.159 -8.930 831 HB VAL 111 HB VAL 111 0.925 1.568 -10.927 832 1HG1 VAL 111 1HG1 VAL 111 0.551 -0.753 -11.461 833 2HG1 VAL 111 2HG1 VAL 111 0.060 -1.069 -9.761 834 3HG1 VAL 111 3HG1 VAL 111 -0.941 0.002 -10.802 835 1HG2 VAL 111 1HG2 VAL 111 0.205 0.915 -8.069 836 2HG2 VAL 111 2HG2 VAL 111 0.772 2.501 -8.700 837 3HG2 VAL 111 3HG2 VAL 111 -0.819 1.842 -9.219 838 H SER 112 H SER 112 2.841 1.419 -12.082 839 HA SER 112 HA SER 112 3.344 -0.906 -13.535 840 1HB SER 112 1HB SER 112 4.488 0.510 -15.121 841 2HB SER 112 2HB SER 112 3.026 1.285 -14.542 842 HG SER 112 HG SER 112 4.804 2.711 -14.612 843 H SER 113 H SER 113 5.418 0.859 -11.340 844 HA SER 113 HA SER 113 7.870 -0.375 -12.141 845 1HB SER 113 1HB SER 113 7.244 0.717 -9.423 846 2HB SER 113 2HB SER 113 8.801 0.628 -10.219 847 HG SER 113 HG SER 113 7.839 2.707 -10.407 848 H CYS 114 H CYS 114 6.125 -0.779 -9.055 849 HA CYS 114 HA CYS 114 6.083 -3.648 -9.287 850 1HB CYS 114 1HB CYS 114 8.445 -2.818 -8.515 851 2HB CYS 114 2HB CYS 114 7.633 -2.666 -6.969 852 H GLY 115 H GLY 115 3.998 -1.959 -9.147 853 1HA GLY 115 1HA GLY 115 2.918 -2.443 -6.445 854 2HA GLY 115 2HA GLY 115 2.848 -0.822 -7.105 855 H VAL 116 H VAL 116 2.646 -3.538 -9.275 856 HA VAL 116 HA VAL 116 0.069 -2.735 -10.203 857 HB VAL 116 HB VAL 116 2.111 -4.696 -10.954 858 1HG1 VAL 116 1HG1 VAL 116 0.117 -6.109 -10.845 859 2HG1 VAL 116 2HG1 VAL 116 -0.772 -4.910 -11.846 860 3HG1 VAL 116 3HG1 VAL 116 0.616 -5.814 -12.546 861 1HG2 VAL 116 1HG2 VAL 116 0.347 -2.792 -12.523 862 2HG2 VAL 116 2HG2 VAL 116 2.032 -2.467 -11.987 863 3HG2 VAL 116 3HG2 VAL 116 1.707 -3.760 -13.192 864 H ARG 117 H ARG 117 -1.779 -3.110 -9.173 865 HA ARG 117 HA ARG 117 -2.254 -5.795 -8.104 866 1HB ARG 117 1HB ARG 117 -2.872 -3.680 -6.161 867 2HB ARG 117 2HB ARG 117 -2.415 -5.351 -5.900 868 1HG ARG 117 1HG ARG 117 -0.430 -3.393 -6.908 869 2HG ARG 117 2HG ARG 117 -0.820 -3.464 -5.201 870 1HD ARG 117 1HD ARG 117 0.339 -5.328 -4.895 871 2HD ARG 117 2HD ARG 117 -0.261 -6.053 -6.372 872 HE ARG 117 HE ARG 117 1.811 -3.976 -6.617 873 1HH1 ARG 117 1HH2 ARG 117 1.052 -7.404 -6.585 874 2HH1 ARG 117 2HH2 ARG 117 2.510 -7.836 -7.451 875 1HH2 ARG 117 1HH1 ARG 117 3.634 -4.563 -7.762 876 2HH2 ARG 117 2HH1 ARG 117 3.953 -6.247 -8.109 877 H CYS 118 H CYS 118 -3.643 -2.611 -7.430 878 HA CYS 118 HA CYS 118 -6.087 -3.414 -8.889 879 1HB CYS 118 1HB CYS 118 -5.805 -2.672 -6.151 880 2HB CYS 118 2HB CYS 118 -6.794 -1.492 -6.986 881 H MET 119 H MET 119 -3.439 -1.481 -8.888 882 HA MET 119 HA MET 119 -4.819 0.852 -10.018 883 1HB MET 119 1HB MET 119 -2.801 0.695 -8.279 884 2HB MET 119 2HB MET 119 -1.906 0.814 -9.781 885 1HG MET 119 1HG MET 119 -2.256 3.011 -9.756 886 2HG MET 119 2HG MET 119 -3.971 2.705 -9.946 887 1HE MET 119 1HE MET 119 -4.275 5.094 -8.614 888 2HE MET 119 2HE MET 119 -5.541 3.837 -8.395 889 3HE MET 119 3HE MET 119 -4.934 4.758 -6.976 890 H ARG 120 H ARG 120 -4.161 -1.974 -11.218 891 HA ARG 120 HA ARG 120 -3.754 -0.970 -13.904 892 1HB ARG 120 1HB ARG 120 -1.452 -1.105 -13.301 893 2HB ARG 120 2HB ARG 120 -1.683 -2.653 -12.513 894 1HG ARG 120 1HG ARG 120 -2.550 -2.798 -15.254 895 2HG ARG 120 2HG ARG 120 -0.906 -2.197 -15.176 896 1HD ARG 120 1HD ARG 120 -0.111 -4.210 -14.664 897 2HD ARG 120 2HD ARG 120 -1.284 -4.415 -13.379 898 HE ARG 120 HE ARG 120 -2.797 -4.932 -15.532 899 1HH1 ARG 120 1HH2 ARG 120 0.372 -6.108 -14.656 900 2HH1 ARG 120 2HH2 ARG 120 0.151 -7.640 -15.471 901 1HH2 ARG 120 1HH1 ARG 120 -3.078 -6.885 -16.559 902 2HH2 ARG 120 2HH1 ARG 120 -1.798 -8.077 -16.545 903 H GLN 121 H GLN 121 -3.915 -3.750 -11.723 904 HA GLN 121 HA GLN 121 -5.712 -5.046 -13.686 905 1HB GLN 121 1HB GLN 121 -4.734 -7.169 -13.259 906 2HB GLN 121 2HB GLN 121 -3.447 -6.058 -13.682 907 1HG GLN 121 1HG GLN 121 -3.096 -5.724 -11.188 908 2HG GLN 121 2HG GLN 121 -4.163 -7.094 -10.950 909 1HE2 GLN 121 2HE2 GLN 121 -1.581 -6.400 -13.300 910 2HE2 GLN 121 1HE2 GLN 121 -0.693 -7.868 -12.963 911 H THR 122 H THR 122 -6.059 -7.341 -11.981 912 HA THR 122 HA THR 122 -7.334 -6.212 -9.586 913 HB THR 122 HB THR 122 -8.835 -8.028 -11.443 914 HG1 THR 122 1HG THR 122 -9.798 -6.059 -12.148 915 1HG2 THR 122 1HG2 THR 122 -9.662 -7.681 -9.096 916 2HG2 THR 122 2HG2 THR 122 -9.655 -5.912 -9.418 917 3HG2 THR 122 3HG2 THR 122 -10.761 -6.990 -10.340 918 H ARG 123 H ARG 123 -8.529 -8.358 -8.523 919 HA ARG 123 HA ARG 123 -6.650 -9.781 -7.198 920 1HB ARG 123 1HB ARG 123 -9.273 -10.847 -8.217 921 2HB ARG 123 2HB ARG 123 -8.317 -11.591 -6.950 922 1HG ARG 123 1HG ARG 123 -9.201 -10.215 -5.421 923 2HG ARG 123 2HG ARG 123 -8.706 -8.813 -6.348 924 1HD ARG 123 1HD ARG 123 -10.997 -10.177 -7.512 925 2HD ARG 123 2HD ARG 123 -11.308 -9.610 -5.884 926 HE ARG 123 HE ARG 123 -10.138 -7.461 -7.159 927 1HH1 ARG 123 1HH2 ARG 123 -12.980 -9.414 -7.742 928 2HH1 ARG 123 2HH2 ARG 123 -13.845 -8.097 -8.502 929 1HH2 ARG 123 1HH1 ARG 123 -11.294 -5.804 -8.136 930 2HH2 ARG 123 2HH1 ARG 123 -12.915 -6.100 -8.723 931 H THR 124 H THR 124 -5.397 -11.536 -7.425 932 HA THR 124 HA THR 124 -5.327 -12.789 -10.117 933 HB THR 124 HB THR 124 -2.798 -12.726 -9.896 934 HG1 THR 124 1HG THR 124 -2.094 -11.141 -8.374 935 1HG2 THR 124 1HG2 THR 124 -4.042 -10.982 -11.237 936 2HG2 THR 124 2HG2 THR 124 -4.172 -10.012 -9.728 937 3HG2 THR 124 3HG2 THR 124 -2.557 -10.346 -10.446 938 H ASN 125 H ASN 125 -4.645 -12.949 -6.687 939 HA ASN 125 HA ASN 125 -5.147 -15.761 -6.536 940 1HB ASN 125 1HB ASN 125 -2.786 -16.156 -5.488 941 2HB ASN 125 2HB ASN 125 -3.059 -16.358 -7.206 942 1HD2 ASN 125 2HD2 ASN 125 -0.767 -15.340 -5.212 943 2HD2 ASN 125 1HD2 ASN 125 -0.055 -14.100 -6.219 Start of MODEL 18 1 1H ALA 1 1H ALA 1 -41.296 -14.017 4.246 2 2H ALA 1 2H ALA 1 -41.234 -12.906 3.020 3 3H ALA 1 3H ALA 1 -42.642 -13.133 3.861 4 HA ALA 1 HA ALA 1 -42.807 -15.361 3.045 5 1HB ALA 1 1HB ALA 1 -43.983 -13.571 1.848 6 2HB ALA 1 2HB ALA 1 -42.501 -13.256 0.880 7 3HB ALA 1 3HB ALA 1 -43.373 -14.819 0.706 8 H GLU 2 H GLU 2 -40.399 -13.589 1.060 9 HA GLU 2 HA GLU 2 -38.451 -15.686 1.405 10 1HB GLU 2 1HB GLU 2 -40.308 -16.298 -0.501 11 2HB GLU 2 2HB GLU 2 -39.055 -15.529 -1.454 12 1HG GLU 2 1HG GLU 2 -37.601 -17.238 -1.136 13 2HG GLU 2 2HG GLU 2 -38.047 -17.423 0.548 14 H PHE 3 H PHE 3 -37.401 -13.742 2.165 15 HA PHE 3 HA PHE 3 -35.761 -12.527 0.165 16 1HB PHE 3 1HB PHE 3 -38.201 -11.419 0.124 17 2HB PHE 3 2HB PHE 3 -37.479 -10.458 1.400 18 HD1 PHE 3 1HD PHE 3 -36.337 -8.532 0.855 19 HD2 PHE 3 2HD PHE 3 -36.741 -11.674 -2.068 20 HE1 PHE 3 1HE PHE 3 -35.284 -7.076 -0.860 21 HE2 PHE 3 2HE PHE 3 -35.672 -10.219 -3.782 22 HZ PHE 3 HZ PHE 3 -34.944 -7.915 -3.176 23 H MET 4 H MET 4 -34.188 -13.286 1.667 24 HA MET 4 HA MET 4 -34.178 -12.178 4.356 25 1HB MET 4 1HB MET 4 -32.839 -14.280 2.915 26 2HB MET 4 2HB MET 4 -31.688 -13.311 3.812 27 1HG MET 4 1HG MET 4 -33.099 -13.591 5.831 28 2HG MET 4 2HG MET 4 -34.141 -14.660 4.913 29 1HE MET 4 1HE MET 4 -30.327 -14.021 5.725 30 2HE MET 4 2HE MET 4 -31.248 -14.338 7.236 31 3HE MET 4 3HE MET 4 -30.005 -15.512 6.678 32 H GLU 5 H GLU 5 -34.270 -9.907 3.683 33 HA GLU 5 HA GLU 5 -31.712 -8.889 2.629 34 1HB GLU 5 1HB GLU 5 -34.289 -8.104 2.191 35 2HB GLU 5 2HB GLU 5 -33.760 -6.947 3.394 36 1HG GLU 5 1HG GLU 5 -31.634 -6.759 1.884 37 2HG GLU 5 2HG GLU 5 -32.676 -7.435 0.647 38 H SER 6 H SER 6 -31.093 -6.689 3.721 39 HA SER 6 HA SER 6 -31.445 -6.141 6.395 40 1HB SER 6 1HB SER 6 -29.296 -7.095 7.359 41 2HB SER 6 2HB SER 6 -30.615 -8.226 7.137 42 HG SER 6 HG SER 6 -28.615 -9.045 6.343 43 H LYS 7 H LYS 7 -29.645 -4.812 7.323 44 HA LYS 7 HA LYS 7 -27.819 -3.732 5.308 45 1HB LYS 7 1HB LYS 7 -28.500 -1.439 5.724 46 2HB LYS 7 2HB LYS 7 -29.814 -2.396 5.070 47 1HG LYS 7 1HG LYS 7 -30.775 -2.634 7.307 48 2HG LYS 7 2HG LYS 7 -29.443 -1.725 7.991 49 1HD LYS 7 1HD LYS 7 -31.005 -0.052 7.789 50 2HD LYS 7 2HD LYS 7 -30.216 0.081 6.230 51 1HE LYS 7 1HE LYS 7 -32.079 -0.548 5.131 52 2HE LYS 7 2HE LYS 7 -32.343 -1.901 6.212 53 1HZ LYS 7 1HZ LYS 7 -33.315 -0.393 7.783 54 2HZ LYS 7 2HZ LYS 7 -33.065 0.885 6.762 55 3HZ LYS 7 3HZ LYS 7 -34.119 -0.318 6.338 56 H GLY 8 H GLY 8 -26.987 -5.399 7.186 57 1HA GLY 8 1HA GLY 8 -25.109 -3.830 8.677 58 2HA GLY 8 2HA GLY 8 -26.370 -4.446 9.726 59 H GLU 9 H GLU 9 -24.443 -5.660 6.966 60 HA GLU 9 HA GLU 9 -24.375 -8.323 7.986 61 1HB GLU 9 1HB GLU 9 -23.717 -7.126 5.613 62 2HB GLU 9 2HB GLU 9 -22.153 -7.592 6.251 63 1HG GLU 9 1HG GLU 9 -22.530 -9.747 5.782 64 2HG GLU 9 2HG GLU 9 -24.060 -9.714 6.636 65 H ARG 10 H ARG 10 -22.497 -9.538 8.715 66 HA ARG 10 HA ARG 10 -21.319 -8.628 11.004 67 1HB ARG 10 1HB ARG 10 -20.011 -10.522 10.936 68 2HB ARG 10 2HB ARG 10 -21.254 -10.946 9.775 69 1HG ARG 10 1HG ARG 10 -19.724 -9.992 7.990 70 2HG ARG 10 2HG ARG 10 -18.472 -9.947 9.216 71 1HD ARG 10 1HD ARG 10 -17.979 -12.030 8.558 72 2HD ARG 10 2HD ARG 10 -19.427 -12.514 9.418 73 HE ARG 10 HE ARG 10 -20.354 -13.072 7.393 74 1HH1 ARG 10 1HH2 ARG 10 -17.945 -10.577 6.801 75 2HH1 ARG 10 2HH2 ARG 10 -18.221 -10.589 5.073 76 1HH2 ARG 10 1HH1 ARG 10 -20.667 -13.027 5.174 77 2HH2 ARG 10 2HH1 ARG 10 -19.725 -11.943 4.176 78 H GLU 11 H GLU 11 -19.161 -7.979 11.590 79 HA GLU 11 HA GLU 11 -18.235 -5.886 9.787 80 1HB GLU 11 1HB GLU 11 -18.444 -5.909 12.417 81 2HB GLU 11 2HB GLU 11 -16.806 -6.520 12.298 82 1HG GLU 11 1HG GLU 11 -15.989 -4.560 11.432 83 2HG GLU 11 2HG GLU 11 -17.496 -4.165 10.631 84 H GLY 12 H GLY 12 -16.979 -6.406 8.118 85 1HA GLY 12 1HA GLY 12 -14.406 -7.148 8.117 86 2HA GLY 12 2HA GLY 12 -15.176 -8.710 8.303 87 H SER 13 H SER 13 -15.460 -5.734 6.337 88 HA SER 13 HA SER 13 -16.806 -6.900 4.155 89 1HB SER 13 1HB SER 13 -16.544 -4.463 4.536 90 2HB SER 13 2HB SER 13 -14.862 -4.604 4.070 91 HG SER 13 HG SER 13 -16.206 -3.965 2.322 92 H SER 14 H SER 14 -13.346 -5.990 4.273 93 HA SER 14 HA SER 14 -12.638 -7.597 2.052 94 1HB SER 14 1HB SER 14 -10.413 -7.024 2.490 95 2HB SER 14 2HB SER 14 -11.391 -5.626 2.886 96 HG SER 14 HG SER 14 -9.750 -6.011 4.428 97 H SER 15 H SER 15 -10.294 -8.910 2.913 98 HA SER 15 HA SER 15 -11.226 -11.454 3.586 99 1HB SER 15 1HB SER 15 -8.781 -10.299 2.980 100 2HB SER 15 2HB SER 15 -8.555 -10.954 4.588 101 HG SER 15 HG SER 15 -8.157 -12.507 2.944 102 H GLN 16 H GLN 16 -10.034 -12.599 5.651 103 HA GLN 16 HA GLN 16 -11.629 -12.211 7.821 104 1HB GLN 16 1HB GLN 16 -9.801 -13.965 7.377 105 2HB GLN 16 2HB GLN 16 -8.737 -12.859 8.222 106 1HG GLN 16 1HG GLN 16 -10.030 -12.981 10.209 107 2HG GLN 16 2HG GLN 16 -11.364 -13.756 9.378 108 1HE2 GLN 16 2HE2 GLN 16 -11.527 -15.676 10.432 109 2HE2 GLN 16 1HE2 GLN 16 -10.232 -16.847 10.530 110 H GLN 17 H GLN 17 -8.388 -10.767 7.517 111 HA GLN 17 HA GLN 17 -9.260 -8.259 8.594 112 1HB GLN 17 1HB GLN 17 -8.912 -10.000 10.560 113 2HB GLN 17 2HB GLN 17 -7.238 -9.527 10.354 114 1HG GLN 17 1HG GLN 17 -7.590 -7.467 11.201 115 2HG GLN 17 2HG GLN 17 -9.116 -7.283 10.361 116 1HE2 GLN 17 2HE2 GLN 17 -10.026 -6.315 12.232 117 2HE2 GLN 17 1HE2 GLN 17 -10.512 -7.295 13.598 118 H CYS 18 H CYS 18 -8.043 -9.152 6.208 119 HA CYS 18 HA CYS 18 -5.233 -8.710 6.259 120 1HB CYS 18 1HB CYS 18 -7.027 -9.499 4.362 121 2HB CYS 18 2HB CYS 18 -6.594 -7.888 3.830 122 H ARG 19 H ARG 19 -8.040 -6.559 5.568 123 HA ARG 19 HA ARG 19 -6.884 -4.223 4.874 124 1HB ARG 19 1HB ARG 19 -9.320 -4.922 5.915 125 2HB ARG 19 2HB ARG 19 -8.702 -3.802 7.112 126 1HG ARG 19 1HG ARG 19 -8.840 -2.028 5.718 127 2HG ARG 19 2HG ARG 19 -8.381 -2.967 4.312 128 1HD ARG 19 1HD ARG 19 -10.746 -4.029 4.592 129 2HD ARG 19 2HD ARG 19 -11.082 -2.580 5.517 130 HE ARG 19 HE ARG 19 -11.090 -1.335 3.575 131 1HH1 ARG 19 1HH2 ARG 19 -9.694 -4.478 2.881 132 2HH1 ARG 19 2HH2 ARG 19 -9.685 -4.200 1.154 133 1HH2 ARG 19 1HH1 ARG 19 -11.054 -1.034 1.355 134 2HH2 ARG 19 2HH1 ARG 19 -10.436 -2.296 0.312 135 H GLN 20 H GLN 20 -6.729 -5.601 8.138 136 HA GLN 20 HA GLN 20 -5.348 -3.411 9.295 137 1HB GLN 20 1HB GLN 20 -6.599 -5.288 10.449 138 2HB GLN 20 2HB GLN 20 -5.181 -6.273 10.155 139 1HG GLN 20 1HG GLN 20 -4.188 -3.869 11.169 140 2HG GLN 20 2HG GLN 20 -5.597 -4.221 12.150 141 1HE2 GLN 20 2HE2 GLN 20 -2.504 -5.496 10.998 142 2HE2 GLN 20 1HE2 GLN 20 -2.283 -6.644 12.299 143 H GLU 21 H GLU 21 -3.955 -6.675 8.731 144 HA GLU 21 HA GLU 21 -1.297 -5.814 8.874 145 1HB GLU 21 1HB GLU 21 -2.294 -8.173 7.319 146 2HB GLU 21 2HB GLU 21 -0.691 -7.948 7.990 147 1HG GLU 21 1HG GLU 21 -2.719 -7.669 10.031 148 2HG GLU 21 2HG GLU 21 -2.854 -9.215 9.218 149 H VAL 22 H VAL 22 -3.518 -5.457 6.339 150 HA VAL 22 HA VAL 22 -1.773 -5.209 4.126 151 HB VAL 22 HB VAL 22 -4.579 -4.284 4.624 152 1HG1 VAL 22 1HG1 VAL 22 -3.551 -2.827 2.959 153 2HG1 VAL 22 2HG1 VAL 22 -3.018 -4.278 2.039 154 3HG1 VAL 22 3HG1 VAL 22 -4.771 -3.918 2.216 155 1HG2 VAL 22 1HG2 VAL 22 -3.469 -6.551 2.939 156 2HG2 VAL 22 2HG2 VAL 22 -4.318 -6.726 4.514 157 3HG2 VAL 22 3HG2 VAL 22 -5.204 -6.097 3.081 158 H GLN 23 H GLN 23 -3.278 -2.871 6.377 159 HA GLN 23 HA GLN 23 -1.886 -0.670 5.126 160 1HB GLN 23 1HB GLN 23 -2.790 0.673 6.960 161 2HB GLN 23 2HB GLN 23 -4.017 -0.256 6.122 162 1HG GLN 23 1HG GLN 23 -4.177 -1.813 7.891 163 2HG GLN 23 2HG GLN 23 -2.728 -1.195 8.659 164 1HE2 GLN 23 2HE2 GLN 23 -4.963 -1.562 10.158 165 2HE2 GLN 23 1HE2 GLN 23 -5.634 -0.008 10.596 166 H ARG 24 H ARG 24 -0.112 -2.758 5.950 167 HA ARG 24 HA ARG 24 1.598 -1.243 7.794 168 1HB ARG 24 1HB ARG 24 1.357 -4.196 8.137 169 2HB ARG 24 2HB ARG 24 2.008 -3.004 9.245 170 1HG ARG 24 1HG ARG 24 -0.482 -2.118 9.167 171 2HG ARG 24 2HG ARG 24 -0.802 -3.788 8.744 172 1HD ARG 24 1HD ARG 24 0.655 -2.871 11.192 173 2HD ARG 24 2HD ARG 24 -1.021 -3.380 11.137 174 HE ARG 24 HE ARG 24 0.160 -5.545 10.109 175 1HH1 ARG 24 1HH2 ARG 24 0.968 -3.653 12.936 176 2HH1 ARG 24 2HH2 ARG 24 1.733 -5.002 13.747 177 1HH2 ARG 24 1HH1 ARG 24 1.188 -7.240 11.173 178 2HH2 ARG 24 2HH1 ARG 24 1.855 -6.986 12.770 179 H LYS 25 H LYS 25 1.288 -4.072 5.709 180 HA LYS 25 HA LYS 25 4.094 -3.683 4.885 181 1HB LYS 25 1HB LYS 25 3.618 -6.214 4.186 182 2HB LYS 25 2HB LYS 25 4.339 -5.721 5.705 183 1HG LYS 25 1HG LYS 25 2.292 -5.974 6.856 184 2HG LYS 25 2HG LYS 25 1.402 -6.166 5.359 185 1HD LYS 25 1HD LYS 25 1.697 -8.359 5.421 186 2HD LYS 25 2HD LYS 25 3.435 -8.157 5.507 187 1HE LYS 25 1HE LYS 25 2.631 -7.507 8.048 188 2HE LYS 25 2HE LYS 25 1.534 -8.803 7.618 189 1HZ LYS 25 1HZ LYS 25 3.419 -10.132 7.010 190 2HZ LYS 25 2HZ LYS 25 4.455 -8.906 7.416 191 3HZ LYS 25 3HZ LYS 25 3.545 -9.642 8.587 192 H ASP 26 H ASP 26 1.228 -5.343 3.635 193 HA ASP 26 HA ASP 26 1.590 -5.229 0.927 194 1HB ASP 26 1HB ASP 26 -1.022 -4.398 2.132 195 2HB ASP 26 2HB ASP 26 -0.746 -5.312 0.664 196 H LEU 27 H LEU 27 0.949 -3.714 -0.720 197 HA LEU 27 HA LEU 27 1.852 -1.441 -1.164 198 1HB LEU 27 1HB LEU 27 -1.139 -1.694 -1.196 199 2HB LEU 27 2HB LEU 27 -0.235 -0.450 -2.035 200 HG LEU 27 HG LEU 27 -0.781 -2.061 -3.608 201 1HD1 LEU 27 1HD1 LEU 27 1.433 -1.202 -3.873 202 2HD1 LEU 27 2HD1 LEU 27 2.078 -2.495 -2.804 203 3HD1 LEU 27 3HD1 LEU 27 1.361 -2.921 -4.396 204 1HD2 LEU 27 1HD2 LEU 27 0.325 -4.211 -1.807 205 2HD2 LEU 27 2HD2 LEU 27 -1.401 -3.941 -2.229 206 3HD2 LEU 27 3HD2 LEU 27 -0.233 -4.444 -3.500 207 H SER 28 H SER 28 2.808 -0.472 0.618 208 HA SER 28 HA SER 28 1.086 1.301 2.193 209 1HB SER 28 1HB SER 28 1.043 -0.516 3.681 210 2HB SER 28 2HB SER 28 2.758 -0.816 3.485 211 HG SER 28 HG SER 28 2.274 0.237 5.473 212 H SER 29 H SER 29 2.805 1.737 0.029 213 HA SER 29 HA SER 29 4.410 3.830 1.092 214 1HB SER 29 1HB SER 29 5.727 1.561 1.512 215 2HB SER 29 2HB SER 29 6.155 1.799 -0.171 216 HG SER 29 HG SER 29 7.628 2.828 1.261 217 H CYS 30 H CYS 30 3.709 1.557 -1.539 218 HA CYS 30 HA CYS 30 4.828 2.946 -3.672 219 1HB CYS 30 1HB CYS 30 2.137 1.640 -3.743 220 2HB CYS 30 2HB CYS 30 3.278 1.825 -5.060 221 H GLU 31 H GLU 31 1.517 3.317 -2.352 222 HA GLU 31 HA GLU 31 1.017 5.678 -3.914 223 1HB GLU 31 1HB GLU 31 -0.396 4.065 -1.990 224 2HB GLU 31 2HB GLU 31 -0.637 5.772 -1.680 225 1HG GLU 31 1HG GLU 31 -2.287 5.536 -3.186 226 2HG GLU 31 2HG GLU 31 -0.980 5.732 -4.337 227 H ARG 32 H ARG 32 2.349 5.073 -0.696 228 HA ARG 32 HA ARG 32 2.236 7.718 0.278 229 1HB ARG 32 1HB ARG 32 2.892 5.528 1.473 230 2HB ARG 32 2HB ARG 32 4.505 5.878 0.885 231 1HG ARG 32 1HG ARG 32 4.507 6.908 2.973 232 2HG ARG 32 2HG ARG 32 4.094 8.235 1.905 233 1HD ARG 32 1HD ARG 32 2.511 8.421 3.610 234 2HD ARG 32 2HD ARG 32 1.646 7.550 2.360 235 HE ARG 32 HE ARG 32 2.787 5.580 3.926 236 1HH1 ARG 32 1HH2 ARG 32 0.554 8.200 4.511 237 2HH1 ARG 32 2HH2 ARG 32 -0.228 7.376 5.841 238 1HH2 ARG 32 1HH1 ARG 32 1.768 4.554 5.648 239 2HH2 ARG 32 2HH1 ARG 32 0.446 5.351 6.472 240 H TYR 33 H TYR 33 4.587 6.134 -1.804 241 HA TYR 33 HA TYR 33 6.697 7.921 -1.809 242 1HB TYR 33 1HB TYR 33 6.773 5.776 -2.892 243 2HB TYR 33 2HB TYR 33 5.478 6.234 -3.979 244 HD1 TYR 33 1HD TYR 33 5.891 7.579 -5.952 245 HD2 TYR 33 2HD TYR 33 9.011 6.753 -3.111 246 HE1 TYR 33 1HE TYR 33 7.586 8.378 -7.603 247 HE2 TYR 33 2HE TYR 33 10.694 7.564 -4.752 248 HH TYR 33 HH TYR 33 11.084 8.342 -6.712 249 H LEU 34 H LEU 34 3.729 7.883 -3.794 250 HA LEU 34 HA LEU 34 4.412 10.339 -5.120 251 1HB LEU 34 1HB LEU 34 2.573 9.964 -6.367 252 2HB LEU 34 2HB LEU 34 2.871 8.340 -5.777 253 HG LEU 34 HG LEU 34 1.207 9.257 -3.878 254 1HD1 LEU 34 1HD1 LEU 34 0.782 11.400 -4.906 255 2HD1 LEU 34 2HD1 LEU 34 0.244 10.581 -6.414 256 3HD1 LEU 34 3HD1 LEU 34 -0.709 10.396 -4.901 257 1HD2 LEU 34 1HD2 LEU 34 0.414 7.913 -6.458 258 2HD2 LEU 34 2HD2 LEU 34 1.019 7.118 -4.963 259 3HD2 LEU 34 3HD2 LEU 34 -0.573 7.952 -4.956 260 H ARG 35 H ARG 35 2.776 9.497 -2.167 261 HA ARG 35 HA ARG 35 1.449 11.974 -1.724 262 1HB ARG 35 1HB ARG 35 1.452 9.538 -0.491 263 2HB ARG 35 2HB ARG 35 2.325 10.530 0.659 264 1HG ARG 35 1HG ARG 35 0.491 12.174 0.611 265 2HG ARG 35 2HG ARG 35 -0.386 11.148 -0.506 266 1HD ARG 35 1HD ARG 35 -1.013 9.699 1.117 267 2HD ARG 35 2HD ARG 35 0.523 9.816 1.952 268 HE ARG 35 HE ARG 35 -0.762 12.262 2.333 269 1HH1 ARG 35 1HH2 ARG 35 -1.340 8.921 3.209 270 2HH1 ARG 35 2HH2 ARG 35 -2.249 9.352 4.641 271 1HH2 ARG 35 1HH1 ARG 35 -1.939 12.776 4.156 272 2HH2 ARG 35 2HH1 ARG 35 -2.584 11.503 5.169 273 H GLN 36 H GLN 36 4.628 10.716 -0.851 274 HA GLN 36 HA GLN 36 5.372 13.124 0.550 275 1HB GLN 36 1HB GLN 36 6.289 10.450 0.444 276 2HB GLN 36 2HB GLN 36 7.624 11.483 -0.028 277 1HG GLN 36 1HG GLN 36 6.075 12.470 2.265 278 2HG GLN 36 2HG GLN 36 6.918 10.962 2.557 279 1HE2 GLN 36 2HE2 GLN 36 7.412 14.262 1.258 280 2HE2 GLN 36 1HE2 GLN 36 9.075 14.388 1.784 281 H SER 37 H SER 37 7.963 13.531 -0.215 282 HA SER 37 HA SER 37 8.180 13.890 -3.066 283 1HB SER 37 1HB SER 37 6.669 15.775 -2.074 284 2HB SER 37 2HB SER 37 8.192 16.441 -1.519 285 HG SER 37 HG SER 37 7.621 17.189 -3.617 286 H SER 38 H SER 38 9.653 12.544 -0.971 287 HA SER 38 HA SER 38 12.248 13.781 -1.491 288 1HB SER 38 1HB SER 38 12.959 13.901 0.760 289 2HB SER 38 2HB SER 38 11.432 14.751 0.651 290 HG SER 38 HG SER 38 11.546 13.381 2.468 291 H SER 39 H SER 39 13.951 12.293 -0.109 292 HA SER 39 HA SER 39 13.563 9.636 -1.202 293 1HB SER 39 1HB SER 39 15.824 9.293 -0.824 294 2HB SER 39 2HB SER 39 15.720 10.999 -1.209 295 HG SER 39 HG SER 39 17.019 10.596 0.646 296 H ARG 40 H ARG 40 14.724 7.885 0.414 297 HA ARG 40 HA ARG 40 12.806 7.610 2.593 298 1HB ARG 40 1HB ARG 40 13.522 5.733 1.051 299 2HB ARG 40 2HB ARG 40 15.070 5.766 1.872 300 1HG ARG 40 1HG ARG 40 13.588 5.611 4.038 301 2HG ARG 40 2HG ARG 40 12.388 4.970 2.933 302 1HD ARG 40 1HD ARG 40 13.517 3.053 3.681 303 2HD ARG 40 2HD ARG 40 14.268 3.390 2.135 304 HE ARG 40 HE ARG 40 16.266 3.882 3.204 305 1HH1 ARG 40 1HH2 ARG 40 13.723 3.656 5.529 306 2HH1 ARG 40 2HH2 ARG 40 14.800 3.773 6.903 307 1HH2 ARG 40 1HH1 ARG 40 17.662 4.070 5.032 308 2HH2 ARG 40 2HH1 ARG 40 16.963 4.000 6.634 309 H ARG 41 H ARG 41 13.182 8.751 4.388 310 HA ARG 41 HA ARG 41 15.669 9.664 5.288 311 1HB ARG 41 1HB ARG 41 13.007 9.719 6.196 312 2HB ARG 41 2HB ARG 41 13.979 9.113 7.522 313 1HG ARG 41 1HG ARG 41 15.561 11.116 6.765 314 2HG ARG 41 2HG ARG 41 14.036 11.765 6.195 315 1HD ARG 41 1HD ARG 41 13.754 10.678 8.856 316 2HD ARG 41 2HD ARG 41 15.034 11.874 8.807 317 HE ARG 41 HE ARG 41 12.192 12.345 8.544 318 1HH1 ARG 41 1HH2 ARG 41 15.361 13.614 7.724 319 2HH1 ARG 41 2HH2 ARG 41 14.760 15.243 7.506 320 1HH2 ARG 41 1HH1 ARG 41 11.472 14.443 8.235 321 2HH2 ARG 41 2HH1 ARG 41 12.603 15.701 7.790 322 H SER 42 H SER 42 16.516 9.025 7.604 323 HA SER 42 HA SER 42 17.472 6.303 7.361 324 1HB SER 42 1HB SER 42 17.923 8.168 9.665 325 2HB SER 42 2HB SER 42 18.918 6.815 9.165 326 HG SER 42 HG SER 42 19.764 8.838 8.443 327 H THR 43 H THR 43 14.987 5.728 7.486 328 HA THR 43 HA THR 43 14.035 5.490 10.254 329 HB THR 43 HB THR 43 11.898 4.772 9.096 330 HG1 THR 43 1HG THR 43 11.868 5.259 6.843 331 1HG2 THR 43 1HG2 THR 43 12.275 7.184 9.708 332 2HG2 THR 43 2HG2 THR 43 13.069 7.411 8.111 333 3HG2 THR 43 3HG2 THR 43 11.323 6.991 8.195 334 H GLY 44 H GLY 44 15.071 3.838 11.244 335 1HA GLY 44 1HA GLY 44 15.189 1.536 11.742 336 2HA GLY 44 2HA GLY 44 14.669 1.152 10.114 337 H GLU 45 H GLU 45 17.210 1.058 12.203 338 HA GLU 45 HA GLU 45 19.404 1.675 10.471 339 1HB GLU 45 1HB GLU 45 19.443 1.471 12.996 340 2HB GLU 45 2HB GLU 45 19.470 -0.265 12.759 341 1HG GLU 45 1HG GLU 45 21.516 -0.014 11.380 342 2HG GLU 45 2HG GLU 45 21.504 1.706 11.712 343 H GLU 46 H GLU 46 17.322 -1.084 10.779 344 HA GLU 46 HA GLU 46 19.030 -2.596 8.906 345 1HB GLU 46 1HB GLU 46 18.334 -3.455 11.345 346 2HB GLU 46 2HB GLU 46 16.974 -4.059 10.418 347 1HG GLU 46 1HG GLU 46 18.334 -5.400 9.064 348 2HG GLU 46 2HG GLU 46 19.775 -4.475 9.434 349 H VAL 47 H VAL 47 17.856 -0.868 7.512 350 HA VAL 47 HA VAL 47 15.181 -1.769 6.751 351 HB VAL 47 HB VAL 47 16.086 0.647 6.956 352 1HG1 VAL 47 1HG1 VAL 47 17.928 0.457 5.363 353 2HG1 VAL 47 2HG1 VAL 47 16.761 0.014 4.069 354 3HG1 VAL 47 3HG1 VAL 47 16.714 1.657 4.797 355 1HG2 VAL 47 1HG2 VAL 47 14.225 -0.267 4.748 356 2HG2 VAL 47 2HG2 VAL 47 13.783 0.045 6.463 357 3HG2 VAL 47 3HG2 VAL 47 14.315 1.402 5.409 358 H LEU 48 H LEU 48 17.616 -3.440 6.365 359 HA LEU 48 HA LEU 48 17.337 -3.870 3.470 360 1HB LEU 48 1HB LEU 48 19.626 -4.499 3.313 361 2HB LEU 48 2HB LEU 48 19.498 -2.899 4.017 362 HG LEU 48 HG LEU 48 19.639 -5.095 5.951 363 1HD1 LEU 48 1HD1 LEU 48 21.162 -6.002 4.276 364 2HD1 LEU 48 2HD1 LEU 48 22.040 -4.435 4.222 365 3HD1 LEU 48 3HD1 LEU 48 22.074 -5.432 5.717 366 1HD2 LEU 48 1HD2 LEU 48 21.111 -2.457 5.692 367 2HD2 LEU 48 2HD2 LEU 48 19.635 -2.762 6.671 368 3HD2 LEU 48 3HD2 LEU 48 21.185 -3.560 7.111 369 H ARG 49 H ARG 49 15.469 -4.978 4.923 370 HA ARG 49 HA ARG 49 16.285 -7.654 5.723 371 1HB ARG 49 1HB ARG 49 14.136 -5.945 6.323 372 2HB ARG 49 2HB ARG 49 13.457 -7.388 5.598 373 1HG ARG 49 1HG ARG 49 13.671 -8.310 7.640 374 2HG ARG 49 2HG ARG 49 15.380 -8.413 7.267 375 1HD ARG 49 1HD ARG 49 15.806 -7.050 8.994 376 2HD ARG 49 2HD ARG 49 14.911 -5.782 8.183 377 HE ARG 49 HE ARG 49 13.242 -6.048 9.737 378 1HH1 ARG 49 1HH2 ARG 49 14.986 -9.089 9.520 379 2HH1 ARG 49 2HH2 ARG 49 14.012 -9.843 10.761 380 1HH2 ARG 49 1HH1 ARG 49 12.022 -7.082 11.318 381 2HH2 ARG 49 2HH1 ARG 49 12.380 -8.738 11.751 382 H MET 50 H MET 50 16.710 -6.886 2.935 383 HA MET 50 HA MET 50 15.012 -8.942 1.671 384 1HB MET 50 1HB MET 50 15.144 -6.170 1.072 385 2HB MET 50 2HB MET 50 15.835 -7.054 -0.272 386 1HG MET 50 1HG MET 50 13.656 -7.176 -0.899 387 2HG MET 50 2HG MET 50 13.691 -8.576 0.153 388 1HE MET 50 1HE MET 50 11.282 -8.831 0.851 389 2HE MET 50 2HE MET 50 12.377 -8.888 2.276 390 3HE MET 50 3HE MET 50 10.827 -7.984 2.370 391 HA PRO 51 HA PRO 51 18.692 -10.645 0.111 392 1HB PRO 51 1HB PRO 51 17.903 -11.597 -2.352 393 2HB PRO 51 2HB PRO 51 17.633 -12.418 -0.828 394 1HG PRO 51 1HG PRO 51 15.702 -11.004 -2.528 395 2HG PRO 51 2HG PRO 51 15.399 -12.157 -1.243 396 1HD PRO 51 1HD PRO 51 15.170 -9.321 -1.113 397 2HD PRO 51 2HD PRO 51 14.935 -10.470 0.188 398 H GLY 52 H GLY 52 17.235 -7.966 -1.374 399 1HA GLY 52 1HA GLY 52 17.944 -6.341 -2.796 400 2HA GLY 52 2HA GLY 52 19.534 -6.664 -2.135 401 H ASP 53 H ASP 53 17.269 -7.420 -4.708 402 HA ASP 53 HA ASP 53 19.195 -7.641 -6.752 403 1HB ASP 53 1HB ASP 53 18.765 -10.104 -5.201 404 2HB ASP 53 2HB ASP 53 18.557 -10.293 -6.930 405 H GLU 54 H GLU 54 16.193 -9.048 -5.459 406 HA GLU 54 HA GLU 54 14.928 -8.757 -8.118 407 1HB GLU 54 1HB GLU 54 14.709 -10.744 -5.991 408 2HB GLU 54 2HB GLU 54 13.163 -10.207 -6.619 409 1HG GLU 54 1HG GLU 54 15.301 -10.855 -8.577 410 2HG GLU 54 2HG GLU 54 14.513 -12.189 -7.760 411 H ASN 55 H ASN 55 15.052 -6.403 -7.435 412 HA ASN 55 HA ASN 55 12.434 -5.531 -6.789 413 1HB ASN 55 1HB ASN 55 13.100 -4.272 -4.670 414 2HB ASN 55 2HB ASN 55 12.797 -5.991 -4.514 415 1HD2 ASN 55 2HD2 ASN 55 14.356 -7.228 -3.586 416 2HD2 ASN 55 1HD2 ASN 55 16.012 -6.716 -3.340 417 H GLN 56 H GLN 56 14.036 -5.009 -8.914 418 HA GLN 56 HA GLN 56 15.118 -2.304 -8.423 419 1HB GLN 56 1HB GLN 56 16.046 -2.928 -10.865 420 2HB GLN 56 2HB GLN 56 16.903 -3.274 -9.375 421 1HG GLN 56 1HG GLN 56 16.180 -5.540 -9.382 422 2HG GLN 56 2HG GLN 56 15.011 -5.235 -10.650 423 1HE2 GLN 56 2HE2 GLN 56 15.913 -4.457 -12.763 424 2HE2 GLN 56 1HE2 GLN 56 17.444 -5.128 -13.279 425 H GLN 57 H GLN 57 15.076 -1.056 -10.713 426 HA GLN 57 HA GLN 57 12.606 -1.480 -12.163 427 1HB GLN 57 1HB GLN 57 12.045 -0.204 -10.009 428 2HB GLN 57 2HB GLN 57 12.902 1.143 -10.733 429 1HG GLN 57 1HG GLN 57 10.949 -0.168 -12.487 430 2HG GLN 57 2HG GLN 57 10.259 0.637 -11.092 431 1HE2 GLN 57 2HE2 GLN 57 10.620 1.106 -14.197 432 2HE2 GLN 57 1HE2 GLN 57 11.036 2.803 -14.273 433 H GLN 58 H GLN 58 14.673 1.337 -11.484 434 HA GLN 58 HA GLN 58 16.273 1.201 -13.776 435 1HB GLN 58 1HB GLN 58 13.663 1.867 -14.485 436 2HB GLN 58 2HB GLN 58 14.514 3.399 -14.467 437 1HG GLN 58 1HG GLN 58 15.585 0.954 -15.843 438 2HG GLN 58 2HG GLN 58 14.573 2.132 -16.656 439 1HE2 GLN 58 2HE2 GLN 58 17.223 1.470 -17.444 440 2HE2 GLN 58 1HE2 GLN 58 18.209 2.900 -17.232 441 H GLU 59 H GLU 59 14.416 3.962 -12.515 442 HA GLU 59 HA GLU 59 16.848 4.983 -11.216 443 1HB GLU 59 1HB GLU 59 15.310 6.340 -13.380 444 2HB GLU 59 2HB GLU 59 16.115 7.287 -12.145 445 1HG GLU 59 1HG GLU 59 17.963 5.343 -13.024 446 2HG GLU 59 2HG GLU 59 17.238 6.041 -14.458 447 H SER 60 H SER 60 15.672 4.154 -9.370 448 HA SER 60 HA SER 60 14.367 6.239 -7.989 449 1HB SER 60 1HB SER 60 12.466 5.686 -9.490 450 2HB SER 60 2HB SER 60 12.480 4.051 -8.860 451 HG SER 60 HG SER 60 11.052 5.441 -7.658 452 H GLN 61 H GLN 61 15.778 5.740 -6.367 453 HA GLN 61 HA GLN 61 16.112 3.060 -5.400 454 1HB GLN 61 1HB GLN 61 17.258 4.129 -3.509 455 2HB GLN 61 2HB GLN 61 17.819 4.748 -5.049 456 1HG GLN 61 1HG GLN 61 16.524 6.759 -4.786 457 2HG GLN 61 2HG GLN 61 15.732 6.120 -3.360 458 1HE2 GLN 61 2HE2 GLN 61 18.686 7.454 -4.677 459 2HE2 GLN 61 1HE2 GLN 61 19.448 7.795 -3.140 460 H GLN 62 H GLN 62 13.816 5.618 -4.732 461 HA GLN 62 HA GLN 62 12.919 4.529 -2.226 462 1HB GLN 62 1HB GLN 62 12.435 6.833 -3.820 463 2HB GLN 62 2HB GLN 62 10.903 6.072 -3.441 464 1HG GLN 62 1HG GLN 62 12.991 6.776 -1.408 465 2HG GLN 62 2HG GLN 62 11.613 7.785 -1.799 466 1HE2 GLN 62 2HE2 GLN 62 11.007 7.608 0.480 467 2HE2 GLN 62 1HE2 GLN 62 10.190 6.165 1.037 468 H LEU 63 H LEU 63 11.725 4.401 -5.620 469 HA LEU 63 HA LEU 63 9.388 2.966 -5.274 470 1HB LEU 63 1HB LEU 63 11.384 3.260 -7.354 471 2HB LEU 63 2HB LEU 63 10.574 1.707 -7.409 472 HG LEU 63 HG LEU 63 8.448 2.766 -7.586 473 1HD1 LEU 63 1HD1 LEU 63 8.792 4.741 -6.198 474 2HD1 LEU 63 2HD1 LEU 63 9.898 5.419 -7.444 475 3HD1 LEU 63 3HD1 LEU 63 8.154 5.191 -7.819 476 1HD2 LEU 63 1HD2 LEU 63 10.444 3.964 -9.505 477 2HD2 LEU 63 2HD2 LEU 63 9.652 2.356 -9.644 478 3HD2 LEU 63 3HD2 LEU 63 8.669 3.856 -9.773 479 H GLN 64 H GLN 64 12.693 1.778 -4.916 480 HA GLN 64 HA GLN 64 12.280 -0.941 -4.758 481 1HB GLN 64 1HB GLN 64 14.457 0.146 -4.537 482 2HB GLN 64 2HB GLN 64 14.001 0.708 -2.941 483 1HG GLN 64 1HG GLN 64 14.477 -1.259 -2.015 484 2HG GLN 64 2HG GLN 64 13.566 -2.128 -3.233 485 1HE2 GLN 64 2HE2 GLN 64 16.182 -2.644 -1.890 486 2HE2 GLN 64 1HE2 GLN 64 17.323 -2.855 -3.199 487 H GLN 65 H GLN 65 11.756 1.439 -2.120 488 HA GLN 65 HA GLN 65 10.891 -0.302 -0.159 489 1HB GLN 65 1HB GLN 65 10.761 2.501 -0.595 490 2HB GLN 65 2HB GLN 65 9.189 1.945 -0.056 491 1HG GLN 65 1HG GLN 65 10.716 0.605 1.667 492 2HG GLN 65 2HG GLN 65 11.778 1.966 1.365 493 1HE2 GLN 65 2HE2 GLN 65 9.612 0.854 3.460 494 2HE2 GLN 65 1HE2 GLN 65 8.906 2.348 4.033 495 H CYS 66 H CYS 66 8.946 1.076 -2.856 496 HA CYS 66 HA CYS 66 6.540 -0.190 -2.075 497 1HB CYS 66 1HB CYS 66 6.406 1.514 -3.680 498 2HB CYS 66 2HB CYS 66 7.566 0.716 -4.722 499 H CYS 67 H CYS 67 9.035 -1.283 -4.473 500 HA CYS 67 HA CYS 67 7.849 -3.769 -4.977 501 1HB CYS 67 1HB CYS 67 9.904 -2.585 -6.018 502 2HB CYS 67 2HB CYS 67 10.805 -3.471 -4.804 503 H ASN 68 H ASN 68 10.008 -2.811 -2.346 504 HA ASN 68 HA ASN 68 10.223 -5.400 -1.159 505 1HB ASN 68 1HB ASN 68 10.606 -2.729 0.154 506 2HB ASN 68 2HB ASN 68 11.260 -4.271 0.670 507 1HD2 ASN 68 2HD2 ASN 68 12.103 -5.202 -1.921 508 2HD2 ASN 68 1HD2 ASN 68 13.474 -4.213 -2.366 509 H GLN 69 H GLN 69 7.984 -2.737 -0.935 510 HA GLN 69 HA GLN 69 6.731 -3.581 1.508 511 1HB GLN 69 1HB GLN 69 6.150 -1.508 -0.566 512 2HB GLN 69 2HB GLN 69 4.950 -1.909 0.647 513 1HG GLN 69 1HG GLN 69 7.669 -1.492 1.692 514 2HG GLN 69 2HG GLN 69 6.922 -0.064 1.002 515 1HE2 GLN 69 2HE2 GLN 69 7.501 -1.265 3.872 516 2HE2 GLN 69 1HE2 GLN 69 6.008 -0.884 4.700 517 H VAL 70 H VAL 70 5.997 -3.769 -1.947 518 HA VAL 70 HA VAL 70 3.539 -5.172 -1.661 519 HB VAL 70 HB VAL 70 5.418 -5.176 -4.005 520 1HG1 VAL 70 1HG1 VAL 70 3.594 -6.797 -4.087 521 2HG1 VAL 70 2HG1 VAL 70 2.422 -5.478 -3.743 522 3HG1 VAL 70 3HG1 VAL 70 3.345 -5.478 -5.284 523 1HG2 VAL 70 1HG2 VAL 70 3.228 -3.177 -3.344 524 2HG2 VAL 70 2HG2 VAL 70 4.995 -2.840 -3.314 525 3HG2 VAL 70 3HG2 VAL 70 4.182 -3.234 -4.868 526 H LYS 71 H LYS 71 6.891 -6.094 -1.556 527 HA LYS 71 HA LYS 71 6.410 -8.897 -1.973 528 1HB LYS 71 1HB LYS 71 8.658 -7.167 -1.552 529 2HB LYS 71 2HB LYS 71 8.778 -8.578 -0.521 530 1HG LYS 71 1HG LYS 71 7.916 -9.166 -3.269 531 2HG LYS 71 2HG LYS 71 9.539 -8.518 -3.147 532 1HD LYS 71 1HD LYS 71 10.170 -10.251 -1.581 533 2HD LYS 71 2HD LYS 71 8.523 -10.846 -1.524 534 1HE LYS 71 1HE LYS 71 8.716 -11.950 -3.499 535 2HE LYS 71 2HE LYS 71 9.708 -10.697 -4.216 536 1HZ LYS 71 1HZ LYS 71 11.561 -11.511 -2.958 537 2HZ LYS 71 2HZ LYS 71 10.623 -12.696 -2.280 538 3HZ LYS 71 3HZ LYS 71 10.934 -12.715 -3.906 539 H GLN 72 H GLN 72 5.833 -6.775 0.609 540 HA GLN 72 HA GLN 72 5.756 -8.956 2.560 541 1HB GLN 72 1HB GLN 72 5.315 -6.012 2.911 542 2HB GLN 72 2HB GLN 72 5.419 -7.202 4.193 543 1HG GLN 72 1HG GLN 72 7.737 -7.661 2.879 544 2HG GLN 72 2HG GLN 72 7.545 -5.938 2.626 545 1HE2 GLN 72 2HE2 GLN 72 7.721 -8.488 5.058 546 2HE2 GLN 72 1HE2 GLN 72 8.240 -7.457 6.372 547 H VAL 73 H VAL 73 3.800 -8.118 0.165 548 HA VAL 73 HA VAL 73 1.313 -7.794 1.482 549 HB VAL 73 HB VAL 73 2.165 -7.522 -0.999 550 1HG1 VAL 73 1HG1 VAL 73 2.338 -9.879 -1.499 551 2HG1 VAL 73 2HG1 VAL 73 0.611 -10.109 -1.055 552 3HG1 VAL 73 3HG1 VAL 73 1.045 -9.116 -2.490 553 1HG2 VAL 73 1HG2 VAL 73 -0.696 -7.979 -0.176 554 2HG2 VAL 73 2HG2 VAL 73 0.222 -6.435 -0.087 555 3HG2 VAL 73 3HG2 VAL 73 -0.156 -7.165 -1.685 556 H ARG 74 H ARG 74 -0.533 -9.465 0.940 557 HA ARG 74 HA ARG 74 0.203 -11.936 2.263 558 1HB ARG 74 1HB ARG 74 -2.373 -10.760 1.345 559 2HB ARG 74 2HB ARG 74 -2.270 -12.425 1.879 560 1HG ARG 74 1HG ARG 74 -0.879 -11.096 3.840 561 2HG ARG 74 2HG ARG 74 -2.150 -9.956 3.449 562 1HD ARG 74 1HD ARG 74 -3.771 -11.901 3.648 563 2HD ARG 74 2HD ARG 74 -2.449 -12.814 4.345 564 HE ARG 74 HE ARG 74 -2.886 -10.254 5.632 565 1HH1 ARG 74 1HH2 ARG 74 -3.787 -13.626 5.647 566 2HH1 ARG 74 2HH2 ARG 74 -4.382 -13.566 7.291 567 1HH2 ARG 74 1HH1 ARG 74 -3.689 -10.192 7.719 568 2HH2 ARG 74 2HH1 ARG 74 -4.327 -11.648 8.449 569 H ASP 75 H ASP 75 -1.727 -11.406 -0.649 570 HA ASP 75 HA ASP 75 -0.263 -12.804 -2.544 571 1HB ASP 75 1HB ASP 75 -1.771 -14.564 -0.690 572 2HB ASP 75 2HB ASP 75 -1.858 -14.941 -2.398 573 H GLU 76 H GLU 76 -3.418 -12.296 -1.103 574 HA GLU 76 HA GLU 76 -4.552 -11.771 -3.782 575 1HB GLU 76 1HB GLU 76 -6.660 -12.659 -3.078 576 2HB GLU 76 2HB GLU 76 -5.420 -13.868 -2.808 577 1HG GLU 76 1HG GLU 76 -5.400 -13.447 -0.456 578 2HG GLU 76 2HG GLU 76 -6.377 -12.004 -0.641 579 H CYS 77 H CYS 77 -3.687 -10.496 -0.840 580 HA CYS 77 HA CYS 77 -5.740 -8.430 -0.847 581 1HB CYS 77 1HB CYS 77 -3.340 -8.825 0.907 582 2HB CYS 77 2HB CYS 77 -4.587 -7.616 1.136 583 H GLN 78 H GLN 78 -3.298 -8.974 -2.902 584 HA GLN 78 HA GLN 78 -1.727 -6.623 -2.805 585 1HB GLN 78 1HB GLN 78 -2.400 -8.716 -4.797 586 2HB GLN 78 2HB GLN 78 -1.696 -7.230 -5.404 587 1HG GLN 78 1HG GLN 78 0.251 -7.499 -4.092 588 2HG GLN 78 2HG GLN 78 -0.490 -8.756 -3.122 589 1HE2 GLN 78 2HE2 GLN 78 2.025 -9.044 -4.332 590 2HE2 GLN 78 1HE2 GLN 78 1.901 -10.257 -5.586 591 H CYS 79 H CYS 79 -4.545 -7.393 -4.912 592 HA CYS 79 HA CYS 79 -4.709 -4.668 -5.795 593 1HB CYS 79 1HB CYS 79 -5.644 -6.074 -7.311 594 2HB CYS 79 2HB CYS 79 -6.348 -7.102 -6.079 595 H GLU 80 H GLU 80 -6.704 -6.653 -3.630 596 HA GLU 80 HA GLU 80 -8.509 -4.698 -2.798 597 1HB GLU 80 1HB GLU 80 -7.922 -7.305 -2.057 598 2HB GLU 80 2HB GLU 80 -7.670 -6.379 -0.592 599 1HG GLU 80 1HG GLU 80 -9.966 -7.074 -0.618 600 2HG GLU 80 2HG GLU 80 -9.936 -5.354 -0.952 601 H ALA 81 H ALA 81 -5.135 -4.987 -2.058 602 HA ALA 81 HA ALA 81 -5.148 -3.156 0.147 603 1HB ALA 81 1HB ALA 81 -3.355 -4.784 -0.107 604 2HB ALA 81 2HB ALA 81 -2.911 -4.037 -1.682 605 3HB ALA 81 3HB ALA 81 -2.719 -3.102 -0.159 606 H ILE 82 H ILE 82 -4.237 -2.843 -3.324 607 HA ILE 82 HA ILE 82 -3.741 -0.108 -3.333 608 HB ILE 82 HB ILE 82 -4.778 -1.960 -5.412 609 1HG1 ILE 82 1HG1 ILE 82 -2.500 -2.254 -4.773 610 2HG1 ILE 82 2HG1 ILE 82 -2.562 -1.557 -6.379 611 1HG2 ILE 82 1HG2 ILE 82 -5.753 0.212 -5.981 612 2HG2 ILE 82 2HG2 ILE 82 -4.131 0.971 -5.831 613 3HG2 ILE 82 3HG2 ILE 82 -4.444 -0.233 -7.129 614 1HD1 ILE 82 1HD1 ILE 82 -2.045 0.672 -5.459 615 2HD1 ILE 82 2HD1 ILE 82 -1.981 -0.042 -3.810 616 3HD1 ILE 82 3HD1 ILE 82 -0.770 -0.527 -5.048 617 H LYS 83 H LYS 83 -6.913 -1.733 -3.826 618 HA LYS 83 HA LYS 83 -8.280 0.778 -4.006 619 1HB LYS 83 1HB LYS 83 -8.947 -2.034 -4.009 620 2HB LYS 83 2HB LYS 83 -10.150 -1.063 -3.184 621 1HG LYS 83 1HG LYS 83 -10.774 -1.124 -5.494 622 2HG LYS 83 2HG LYS 83 -10.134 0.477 -5.183 623 1HD LYS 83 1HD LYS 83 -8.033 -0.091 -6.205 624 2HD LYS 83 2HD LYS 83 -8.498 -1.776 -6.338 625 1HE LYS 83 1HE LYS 83 -9.405 -1.372 -8.340 626 2HE LYS 83 2HE LYS 83 -10.501 -0.214 -7.615 627 1HZ LYS 83 1HZ LYS 83 -8.823 1.461 -7.868 628 2HZ LYS 83 2HZ LYS 83 -7.788 0.367 -8.555 629 3HZ LYS 83 3HZ LYS 83 -9.189 0.781 -9.333 630 H TYR 84 H TYR 84 -6.796 -0.646 -1.422 631 HA TYR 84 HA TYR 84 -8.425 0.701 0.630 632 1HB TYR 84 1HB TYR 84 -8.252 -1.650 0.925 633 2HB TYR 84 2HB TYR 84 -6.521 -1.608 0.667 634 HD1 TYR 84 1HD TYR 84 -5.215 -1.944 2.481 635 HD2 TYR 84 2HD TYR 84 -8.967 0.090 2.925 636 HE1 TYR 84 1HE TYR 84 -4.785 -1.714 4.914 637 HE2 TYR 84 2HE TYR 84 -8.480 0.470 5.335 638 HH TYR 84 HH TYR 84 -7.171 0.063 6.984 639 H ILE 85 H ILE 85 -6.207 1.782 -1.232 640 HA ILE 85 HA ILE 85 -4.887 3.309 0.846 641 HB ILE 85 HB ILE 85 -3.394 1.468 0.851 642 1HG1 ILE 85 1HG1 ILE 85 -2.272 3.743 -0.753 643 2HG1 ILE 85 2HG1 ILE 85 -2.327 3.618 0.993 644 1HG2 ILE 85 1HG2 ILE 85 -4.007 0.415 -1.272 645 2HG2 ILE 85 2HG2 ILE 85 -3.211 1.759 -2.161 646 3HG2 ILE 85 3HG2 ILE 85 -2.226 0.642 -1.154 647 1HD1 ILE 85 1HD1 ILE 85 -0.823 1.667 0.924 648 2HD1 ILE 85 2HD1 ILE 85 -0.766 1.796 -0.869 649 3HD1 ILE 85 3HD1 ILE 85 -0.075 3.107 0.149 650 H ALA 86 H ALA 86 -4.981 2.510 -2.607 651 HA ALA 86 HA ALA 86 -4.175 5.004 -3.603 652 1HB ALA 86 1HB ALA 86 -4.239 2.970 -4.982 653 2HB ALA 86 2HB ALA 86 -6.029 2.934 -4.827 654 3HB ALA 86 3HB ALA 86 -5.230 4.279 -5.712 655 H GLU 87 H GLU 87 -7.497 3.676 -3.554 656 HA GLU 87 HA GLU 87 -8.612 6.306 -3.858 657 1HB GLU 87 1HB GLU 87 -9.550 3.901 -4.441 658 2HB GLU 87 2HB GLU 87 -10.278 4.085 -2.858 659 1HG GLU 87 1HG GLU 87 -11.215 6.268 -3.579 660 2HG GLU 87 2HG GLU 87 -10.550 5.999 -5.178 661 H ASP 88 H ASP 88 -7.922 4.198 -1.143 662 HA ASP 88 HA ASP 88 -9.478 5.463 0.842 663 1HB ASP 88 1HB ASP 88 -7.145 3.728 0.744 664 2HB ASP 88 2HB ASP 88 -7.106 4.839 2.099 665 H GLN 89 H GLN 89 -6.230 6.199 -0.436 666 HA GLN 89 HA GLN 89 -5.873 8.429 1.326 667 1HB GLN 89 1HB GLN 89 -3.855 8.813 0.206 668 2HB GLN 89 2HB GLN 89 -4.045 7.072 0.237 669 1HG GLN 89 1HG GLN 89 -4.037 6.930 -1.994 670 2HG GLN 89 2HG GLN 89 -5.181 8.246 -2.160 671 1HE2 GLN 89 2HE2 GLN 89 -3.851 10.367 -1.106 672 2HE2 GLN 89 1HE2 GLN 89 -2.434 10.707 -2.076 673 H ILE 90 H ILE 90 -7.455 7.961 -1.752 674 HA ILE 90 HA ILE 90 -7.360 10.655 -2.629 675 HB ILE 90 HB ILE 90 -8.862 8.227 -3.337 676 1HG1 ILE 90 1HG1 ILE 90 -7.589 10.026 -5.309 677 2HG1 ILE 90 2HG1 ILE 90 -6.556 9.114 -4.228 678 1HG2 ILE 90 1HG2 ILE 90 -10.624 9.867 -3.279 679 2HG2 ILE 90 2HG2 ILE 90 -9.636 10.979 -4.287 680 3HG2 ILE 90 3HG2 ILE 90 -10.230 9.429 -4.977 681 1HD1 ILE 90 1HD1 ILE 90 -7.618 7.001 -4.955 682 2HD1 ILE 90 2HD1 ILE 90 -8.678 7.936 -6.066 683 3HD1 ILE 90 3HD1 ILE 90 -6.903 7.891 -6.345 684 H GLN 91 H GLN 91 -9.704 8.768 -0.755 685 HA GLN 91 HA GLN 91 -11.441 11.028 -0.374 686 1HB GLN 91 1HB GLN 91 -11.297 8.265 0.742 687 2HB GLN 91 2HB GLN 91 -12.374 9.452 1.449 688 1HG GLN 91 1HG GLN 91 -13.348 9.834 -0.816 689 2HG GLN 91 2HG GLN 91 -12.353 8.525 -1.421 690 1HE2 GLN 91 2HE2 GLN 91 -15.303 9.368 0.026 691 2HE2 GLN 91 1HE2 GLN 91 -15.850 7.761 0.450 692 H GLN 92 H GLN 92 -8.778 9.545 1.456 693 HA GLN 92 HA GLN 92 -9.286 11.161 3.788 694 1HB GLN 92 1HB GLN 92 -7.809 8.913 3.284 695 2HB GLN 92 2HB GLN 92 -6.571 10.140 3.458 696 1HG GLN 92 1HG GLN 92 -6.878 9.425 5.638 697 2HG GLN 92 2HG GLN 92 -7.896 10.848 5.553 698 1HE2 GLN 92 2HE2 GLN 92 -8.501 9.335 7.571 699 2HE2 GLN 92 1HE2 GLN 92 -9.930 8.367 7.285 700 H GLY 93 H GLY 93 -6.685 11.162 1.379 701 1HA GLY 93 1HA GLY 93 -5.502 13.605 2.081 702 2HA GLY 93 2HA GLY 93 -5.374 12.797 0.533 703 H GLN 94 H GLN 94 -5.274 15.351 0.232 704 HA GLN 94 HA GLN 94 -7.927 16.519 -0.026 705 1HB GLN 94 1HB GLN 94 -5.262 17.489 0.194 706 2HB GLN 94 2HB GLN 94 -5.995 18.164 -1.247 707 1HG GLN 94 1HG GLN 94 -7.757 19.146 -0.034 708 2HG GLN 94 2HG GLN 94 -7.479 18.128 1.364 709 1HE2 GLN 94 2HE2 GLN 94 -5.228 18.342 2.345 710 2HE2 GLN 94 1HE2 GLN 94 -4.607 19.969 2.510 711 H LEU 95 H LEU 95 -7.637 14.163 -1.568 712 HA LEU 95 HA LEU 95 -7.298 15.124 -4.313 713 1HB LEU 95 1HB LEU 95 -7.978 12.366 -3.412 714 2HB LEU 95 2HB LEU 95 -7.334 12.866 -4.963 715 HG LEU 95 HG LEU 95 -5.553 11.881 -3.884 716 1HD1 LEU 95 1HD1 LEU 95 -4.870 14.021 -4.857 717 2HD1 LEU 95 2HD1 LEU 95 -5.256 14.847 -3.307 718 3HD1 LEU 95 3HD1 LEU 95 -3.913 13.655 -3.380 719 1HD2 LEU 95 1HD2 LEU 95 -6.217 13.442 -1.399 720 2HD2 LEU 95 2HD2 LEU 95 -6.468 11.681 -1.658 721 3HD2 LEU 95 3HD2 LEU 95 -4.802 12.355 -1.617 722 H HIS 96 H HIS 96 -9.589 15.644 -2.244 723 HA HIS 96 HA HIS 96 -11.947 14.692 -3.533 724 1HB HIS 96 1HB HIS 96 -11.305 16.671 -1.420 725 2HB HIS 96 2HB HIS 96 -12.909 16.668 -2.127 726 HD1 HIS 96 1HD HIS 96 -14.551 15.189 -0.899 727 HD2 HIS 96 2HD HIS 96 -10.527 13.928 -0.572 728 HE1 HIS 96 1HE HIS 96 -14.560 13.128 0.643 729 HE2 HIS 96 2HE HIS 96 -12.133 12.365 0.793 730 H GLY 97 H GLY 97 -13.678 16.502 -4.128 731 1HA GLY 97 1HA GLY 97 -14.255 18.287 -5.510 732 2HA GLY 97 2HA GLY 97 -12.561 18.695 -5.689 733 H GLU 98 H GLU 98 -11.242 17.343 -7.119 734 HA GLU 98 HA GLU 98 -12.434 15.468 -8.912 735 1HB GLU 98 1HB GLU 98 -13.397 17.679 -9.709 736 2HB GLU 98 2HB GLU 98 -11.770 18.079 -10.224 737 1HG GLU 98 1HG GLU 98 -11.707 16.163 -11.695 738 2HG GLU 98 2HG GLU 98 -13.252 15.599 -11.091 739 H GLU 99 H GLU 99 -10.150 15.699 -7.199 740 HA GLU 99 HA GLU 99 -7.975 15.478 -9.186 741 1HB GLU 99 1HB GLU 99 -6.516 16.070 -7.089 742 2HB GLU 99 2HB GLU 99 -7.209 17.316 -8.106 743 1HG GLU 99 1HG GLU 99 -9.070 17.551 -6.554 744 2HG GLU 99 2HG GLU 99 -8.382 16.300 -5.539 745 H SER 100 H SER 100 -9.868 13.477 -8.233 746 HA SER 100 HA SER 100 -8.265 11.730 -6.525 747 1HB SER 100 1HB SER 100 -10.440 11.409 -5.959 748 2HB SER 100 2HB SER 100 -11.023 11.807 -7.563 749 HG SER 100 HG SER 100 -11.278 9.573 -7.068 750 H GLU 101 H GLU 101 -9.524 11.812 -9.859 751 HA GLU 101 HA GLU 101 -8.323 9.339 -10.640 752 1HB GLU 101 1HB GLU 101 -10.179 10.435 -11.856 753 2HB GLU 101 2HB GLU 101 -9.080 11.710 -12.342 754 1HG GLU 101 1HG GLU 101 -9.131 10.248 -14.189 755 2HG GLU 101 2HG GLU 101 -7.641 9.848 -13.358 756 H ARG 102 H ARG 102 -7.164 12.665 -10.424 757 HA ARG 102 HA ARG 102 -4.807 12.256 -11.980 758 1HB ARG 102 1HB ARG 102 -4.084 14.332 -11.153 759 2HB ARG 102 2HB ARG 102 -5.829 14.466 -11.240 760 1HG ARG 102 1HG ARG 102 -5.754 15.151 -9.123 761 2HG ARG 102 2HG ARG 102 -5.394 13.489 -8.704 762 1HD ARG 102 1HD ARG 102 -3.093 13.910 -8.573 763 2HD ARG 102 2HD ARG 102 -3.246 15.448 -9.399 764 HE ARG 102 HE ARG 102 -4.663 15.242 -6.859 765 1HH1 ARG 102 1HH2 ARG 102 -1.696 16.187 -8.437 766 2HH1 ARG 102 2HH2 ARG 102 -1.221 17.267 -7.145 767 1HH2 ARG 102 1HH1 ARG 102 -4.036 16.654 -5.212 768 2HH2 ARG 102 2HH1 ARG 102 -2.525 17.526 -5.350 769 H VAL 103 H VAL 103 -5.684 11.366 -8.679 770 HA VAL 103 HA VAL 103 -2.929 10.953 -7.886 771 HB VAL 103 HB VAL 103 -5.615 10.544 -6.706 772 1HG1 VAL 103 1HG1 VAL 103 -4.438 8.483 -6.107 773 2HG1 VAL 103 2HG1 VAL 103 -3.057 9.463 -5.504 774 3HG1 VAL 103 3HG1 VAL 103 -4.652 9.557 -4.681 775 1HG2 VAL 103 1HG2 VAL 103 -3.102 12.001 -5.858 776 2HG2 VAL 103 2HG2 VAL 103 -4.562 12.734 -6.610 777 3HG2 VAL 103 3HG2 VAL 103 -4.664 12.012 -4.966 778 H ALA 104 H ALA 104 -5.431 9.153 -9.472 779 HA ALA 104 HA ALA 104 -4.411 6.544 -8.963 780 1HB ALA 104 1HB ALA 104 -6.705 6.964 -9.731 781 2HB ALA 104 2HB ALA 104 -6.060 7.635 -11.269 782 3HB ALA 104 3HB ALA 104 -5.833 5.894 -10.882 783 H GLN 105 H GLN 105 -3.688 9.043 -11.383 784 HA GLN 105 HA GLN 105 -2.006 7.350 -12.960 785 1HB GLN 105 1HB GLN 105 -1.330 9.329 -14.085 786 2HB GLN 105 2HB GLN 105 -3.044 9.459 -13.744 787 1HG GLN 105 1HG GLN 105 -2.751 11.302 -12.547 788 2HG GLN 105 2HG GLN 105 -1.468 10.566 -11.607 789 1HE2 GLN 105 2HE2 GLN 105 -2.291 12.537 -14.332 790 2HE2 GLN 105 1HE2 GLN 105 -0.684 13.171 -14.604 791 H ARG 106 H ARG 106 -1.546 9.044 -9.978 792 HA ARG 106 HA ARG 106 1.322 9.214 -10.107 793 1HB ARG 106 1HB ARG 106 -0.815 9.925 -8.287 794 2HB ARG 106 2HB ARG 106 0.594 9.293 -7.461 795 1HG ARG 106 1HG ARG 106 1.831 11.110 -7.916 796 2HG ARG 106 2HG ARG 106 1.184 11.268 -9.536 797 1HD ARG 106 1HD ARG 106 -0.524 11.935 -7.170 798 2HD ARG 106 2HD ARG 106 0.637 13.101 -7.770 799 HE ARG 106 HE ARG 106 -1.829 12.249 -9.028 800 1HH1 ARG 106 1HH2 ARG 106 1.189 13.922 -9.464 801 2HH1 ARG 106 2HH2 ARG 106 0.642 14.739 -10.912 802 1HH2 ARG 106 1HH1 ARG 106 -2.471 13.312 -10.937 803 2HH2 ARG 106 2HH1 ARG 106 -1.354 14.408 -11.717 804 H ALA 107 H ALA 107 -0.918 7.275 -8.074 805 HA ALA 107 HA ALA 107 1.065 5.553 -7.096 806 1HB ALA 107 1HB ALA 107 -1.177 5.732 -6.177 807 2HB ALA 107 2HB ALA 107 -1.844 5.014 -7.684 808 3HB ALA 107 3HB ALA 107 -0.791 4.030 -6.609 809 H GLY 108 H GLY 108 -0.866 5.388 -10.045 810 1HA GLY 108 1HA GLY 108 -0.241 2.914 -11.061 811 2HA GLY 108 2HA GLY 108 -0.469 4.356 -12.029 812 H GLU 109 H GLU 109 1.833 5.755 -10.922 813 HA GLU 109 HA GLU 109 3.882 4.911 -12.633 814 1HB GLU 109 1HB GLU 109 4.072 6.565 -10.130 815 2HB GLU 109 2HB GLU 109 5.335 6.416 -11.336 816 1HG GLU 109 1HG GLU 109 3.407 7.158 -12.973 817 2HG GLU 109 2HG GLU 109 2.718 7.828 -11.507 818 H ILE 110 H ILE 110 3.654 4.513 -9.106 819 HA ILE 110 HA ILE 110 5.971 2.812 -9.002 820 HB ILE 110 HB ILE 110 3.899 3.026 -6.863 821 1HG1 ILE 110 1HG1 ILE 110 4.178 5.294 -7.146 822 2HG1 ILE 110 2HG1 ILE 110 5.477 4.934 -6.028 823 1HG2 ILE 110 1HG2 ILE 110 5.683 1.392 -6.536 824 2HG2 ILE 110 2HG2 ILE 110 6.909 2.672 -6.830 825 3HG2 ILE 110 3HG2 ILE 110 5.852 2.756 -5.378 826 1HD1 ILE 110 1HD1 ILE 110 7.087 4.810 -7.903 827 2HD1 ILE 110 2HD1 ILE 110 5.753 5.179 -9.050 828 3HD1 ILE 110 3HD1 ILE 110 6.267 6.410 -7.844 829 H VAL 111 H VAL 111 2.564 2.399 -9.417 830 HA VAL 111 HA VAL 111 2.356 -0.324 -8.832 831 HB VAL 111 HB VAL 111 0.913 1.423 -10.741 832 1HG1 VAL 111 1HG1 VAL 111 0.758 -0.804 -11.665 833 2HG1 VAL 111 2HG1 VAL 111 0.233 -1.437 -10.066 834 3HG1 VAL 111 3HG1 VAL 111 -0.820 -0.293 -10.970 835 1HG2 VAL 111 1HG2 VAL 111 0.187 0.315 -8.026 836 2HG2 VAL 111 2HG2 VAL 111 0.624 2.012 -8.421 837 3HG2 VAL 111 3HG2 VAL 111 -0.896 1.303 -9.068 838 H SER 112 H SER 112 2.725 1.137 -12.109 839 HA SER 112 HA SER 112 3.369 -1.273 -13.366 840 1HB SER 112 1HB SER 112 4.178 0.019 -15.163 841 2HB SER 112 2HB SER 112 2.856 0.917 -14.443 842 HG SER 112 HG SER 112 4.686 2.238 -14.866 843 H SER 113 H SER 113 5.390 0.834 -11.445 844 HA SER 113 HA SER 113 7.901 -0.218 -12.198 845 1HB SER 113 1HB SER 113 6.908 1.220 -9.772 846 2HB SER 113 2HB SER 113 8.573 0.698 -9.921 847 HG SER 113 HG SER 113 8.234 2.811 -10.815 848 H CYS 114 H CYS 114 6.178 -0.796 -9.133 849 HA CYS 114 HA CYS 114 6.594 -3.640 -9.295 850 1HB CYS 114 1HB CYS 114 8.634 -2.122 -8.158 851 2HB CYS 114 2HB CYS 114 7.760 -2.820 -6.808 852 H GLY 115 H GLY 115 4.299 -2.191 -9.234 853 1HA GLY 115 1HA GLY 115 3.063 -2.983 -6.702 854 2HA GLY 115 2HA GLY 115 2.958 -1.296 -7.165 855 H VAL 116 H VAL 116 2.978 -3.967 -9.489 856 HA VAL 116 HA VAL 116 0.543 -3.034 -10.683 857 HB VAL 116 HB VAL 116 2.445 -5.246 -11.270 858 1HG1 VAL 116 1HG1 VAL 116 0.242 -6.148 -11.784 859 2HG1 VAL 116 2HG1 VAL 116 -0.131 -4.673 -12.744 860 3HG1 VAL 116 3HG1 VAL 116 1.166 -5.794 -13.286 861 1HG2 VAL 116 1HG2 VAL 116 1.578 -2.799 -12.834 862 2HG2 VAL 116 2HG2 VAL 116 3.122 -2.990 -11.933 863 3HG2 VAL 116 3HG2 VAL 116 2.789 -4.015 -13.373 864 H ARG 117 H ARG 117 -0.746 -3.188 -8.693 865 HA ARG 117 HA ARG 117 -1.359 -5.970 -7.925 866 1HB ARG 117 1HB ARG 117 -2.412 -3.599 -6.505 867 2HB ARG 117 2HB ARG 117 -2.126 -5.220 -5.905 868 1HG ARG 117 1HG ARG 117 0.042 -3.337 -6.713 869 2HG ARG 117 2HG ARG 117 -0.555 -3.499 -5.073 870 1HD ARG 117 1HD ARG 117 1.148 -4.962 -4.939 871 2HD ARG 117 2HD ARG 117 -0.063 -6.052 -5.584 872 HE ARG 117 HE ARG 117 1.336 -4.725 -7.689 873 1HH1 ARG 117 1HH2 ARG 117 1.729 -7.312 -5.426 874 2HH1 ARG 117 2HH2 ARG 117 2.903 -8.144 -6.422 875 1HH2 ARG 117 1HH1 ARG 117 2.876 -5.843 -8.937 876 2HH2 ARG 117 2HH1 ARG 117 3.527 -7.349 -8.329 877 H CYS 118 H CYS 118 -3.256 -2.987 -7.967 878 HA CYS 118 HA CYS 118 -5.245 -4.311 -9.702 879 1HB CYS 118 1HB CYS 118 -5.652 -3.582 -7.075 880 2HB CYS 118 2HB CYS 118 -6.338 -2.255 -7.991 881 H MET 119 H MET 119 -2.950 -1.972 -9.492 882 HA MET 119 HA MET 119 -4.423 0.029 -11.057 883 1HB MET 119 1HB MET 119 -1.954 -0.065 -9.464 884 2HB MET 119 2HB MET 119 -2.021 1.078 -10.790 885 1HG MET 119 1HG MET 119 -4.430 1.343 -9.406 886 2HG MET 119 2HG MET 119 -3.170 1.260 -8.193 887 1HE MET 119 1HE MET 119 -3.119 2.621 -11.886 888 2HE MET 119 2HE MET 119 -4.698 3.149 -11.209 889 3HE MET 119 3HE MET 119 -3.432 4.367 -11.593 890 H ARG 120 H ARG 120 -3.060 -2.770 -11.791 891 HA ARG 120 HA ARG 120 -2.577 -2.006 -14.534 892 1HB ARG 120 1HB ARG 120 -0.392 -1.531 -13.786 893 2HB ARG 120 2HB ARG 120 -0.357 -2.944 -12.750 894 1HG ARG 120 1HG ARG 120 0.999 -3.354 -14.721 895 2HG ARG 120 2HG ARG 120 -0.416 -4.387 -14.760 896 1HD ARG 120 1HD ARG 120 -0.989 -1.911 -16.065 897 2HD ARG 120 2HD ARG 120 0.465 -2.617 -16.742 898 HE ARG 120 HE ARG 120 -1.467 -4.651 -16.492 899 1HH1 ARG 120 1HH2 ARG 120 -0.804 -1.842 -18.422 900 2HH1 ARG 120 2HH2 ARG 120 -1.771 -2.404 -19.767 901 1HH2 ARG 120 1HH1 ARG 120 -2.759 -5.332 -18.202 902 2HH2 ARG 120 2HH1 ARG 120 -2.860 -4.348 -19.645 903 H GLN 121 H GLN 121 -2.359 -4.515 -12.039 904 HA GLN 121 HA GLN 121 -3.634 -6.369 -13.933 905 1HB GLN 121 1HB GLN 121 -1.041 -6.634 -13.635 906 2HB GLN 121 2HB GLN 121 -1.520 -7.460 -12.166 907 1HG GLN 121 1HG GLN 121 -2.051 -9.288 -13.347 908 2HG GLN 121 2HG GLN 121 -3.190 -8.359 -14.301 909 1HE2 GLN 121 2HE2 GLN 121 -0.025 -9.765 -14.152 910 2HE2 GLN 121 1HE2 GLN 121 0.477 -9.363 -15.779 911 H THR 122 H THR 122 -3.193 -8.482 -11.855 912 HA THR 122 HA THR 122 -4.958 -7.549 -9.727 913 HB THR 122 HB THR 122 -5.785 -9.986 -11.236 914 HG1 THR 122 1HG THR 122 -7.192 -8.542 -12.369 915 1HG2 THR 122 1HG2 THR 122 -6.788 -9.502 -8.993 916 2HG2 THR 122 2HG2 THR 122 -7.278 -7.885 -9.608 917 3HG2 THR 122 3HG2 THR 122 -7.992 -9.372 -10.322 918 H ARG 123 H ARG 123 -5.500 -10.278 -8.819 919 HA ARG 123 HA ARG 123 -3.530 -10.830 -7.035 920 1HB ARG 123 1HB ARG 123 -5.284 -12.691 -8.601 921 2HB ARG 123 2HB ARG 123 -4.192 -13.287 -7.367 922 1HG ARG 123 1HG ARG 123 -5.416 -12.398 -5.661 923 2HG ARG 123 2HG ARG 123 -5.943 -11.025 -6.613 924 1HD ARG 123 1HD ARG 123 -7.571 -12.351 -7.757 925 2HD ARG 123 2HD ARG 123 -6.938 -13.828 -7.059 926 HE ARG 123 HE ARG 123 -7.768 -11.990 -5.021 927 1HH1 ARG 123 1HH2 ARG 123 -9.041 -14.293 -7.321 928 2HH1 ARG 123 2HH2 ARG 123 -10.477 -14.606 -6.371 929 1HH2 ARG 123 1HH1 ARG 123 -9.617 -12.417 -3.824 930 2HH2 ARG 123 2HH1 ARG 123 -10.796 -13.561 -4.424 931 H THR 124 H THR 124 -1.773 -12.223 -6.848 932 HA THR 124 HA THR 124 -0.496 -13.103 -9.329 933 HB THR 124 HB THR 124 1.385 -11.772 -9.278 934 HG1 THR 124 1HG THR 124 1.935 -10.393 -7.546 935 1HG2 THR 124 1HG2 THR 124 -0.518 -10.411 -10.003 936 2HG2 THR 124 2HG2 THR 124 -0.800 -9.915 -8.298 937 3HG2 THR 124 3HG2 THR 124 0.706 -9.413 -9.143 938 H ASN 125 H ASN 125 -0.333 -12.693 -5.833 939 HA ASN 125 HA ASN 125 0.569 -13.961 -4.188 940 1HB ASN 125 1HB ASN 125 -1.021 -15.560 -5.232 941 2HB ASN 125 2HB ASN 125 0.319 -16.226 -6.141 942 1HD2 ASN 125 2HD2 ASN 125 -1.642 -17.023 -3.865 943 2HD2 ASN 125 1HD2 ASN 125 -0.602 -17.934 -2.794 Start of MODEL 19 1 1H ALA 1 1H ALA 1 -0.874 -17.761 -1.703 2 2H ALA 1 2H ALA 1 -1.935 -17.726 -0.432 3 3H ALA 1 3H ALA 1 -0.384 -18.261 -0.202 4 HA ALA 1 HA ALA 1 -0.773 -20.088 -1.650 5 1HB ALA 1 1HB ALA 1 -1.054 -20.392 0.773 6 2HB ALA 1 2HB ALA 1 -2.757 -19.832 0.638 7 3HB ALA 1 3HB ALA 1 -2.252 -21.371 -0.142 8 H GLU 2 H GLU 2 -4.084 -19.566 -0.630 9 HA GLU 2 HA GLU 2 -5.018 -18.635 -3.199 10 1HB GLU 2 1HB GLU 2 -4.483 -21.110 -3.557 11 2HB GLU 2 2HB GLU 2 -5.800 -21.442 -2.451 12 1HG GLU 2 1HG GLU 2 -6.846 -19.591 -4.256 13 2HG GLU 2 2HG GLU 2 -5.901 -20.686 -5.245 14 H PHE 3 H PHE 3 -7.093 -17.876 -3.060 15 HA PHE 3 HA PHE 3 -8.900 -18.563 -0.939 16 1HB PHE 3 1HB PHE 3 -6.900 -16.829 -0.202 17 2HB PHE 3 2HB PHE 3 -8.212 -15.751 -0.633 18 HD1 PHE 3 1HD PHE 3 -10.266 -15.657 0.652 19 HD2 PHE 3 2HD PHE 3 -7.089 -18.390 1.677 20 HE1 PHE 3 1HE PHE 3 -11.302 -16.029 2.883 21 HE2 PHE 3 2HE PHE 3 -8.130 -18.773 3.905 22 HZ PHE 3 HZ PHE 3 -10.236 -17.584 4.508 23 H MET 4 H MET 4 -10.617 -18.672 -2.301 24 HA MET 4 HA MET 4 -11.039 -16.514 -4.251 25 1HB MET 4 1HB MET 4 -11.329 -18.896 -4.879 26 2HB MET 4 2HB MET 4 -12.662 -18.993 -3.747 27 1HG MET 4 1HG MET 4 -12.930 -16.706 -5.496 28 2HG MET 4 2HG MET 4 -12.794 -18.192 -6.414 29 1HE MET 4 1HE MET 4 -14.505 -19.983 -6.652 30 2HE MET 4 2HE MET 4 -14.100 -20.428 -4.959 31 3HE MET 4 3HE MET 4 -15.819 -20.291 -5.466 32 H GLU 5 H GLU 5 -11.694 -14.713 -3.186 33 HA GLU 5 HA GLU 5 -14.412 -14.809 -2.085 34 1HB GLU 5 1HB GLU 5 -12.017 -14.423 -0.468 35 2HB GLU 5 2HB GLU 5 -13.166 -13.109 -0.309 36 1HG GLU 5 1HG GLU 5 -14.286 -15.847 -0.208 37 2HG GLU 5 2HG GLU 5 -13.310 -15.358 1.162 38 H SER 6 H SER 6 -15.152 -12.520 -1.589 39 HA SER 6 HA SER 6 -14.002 -10.218 -2.620 40 1HB SER 6 1HB SER 6 -14.175 -10.264 -4.827 41 2HB SER 6 2HB SER 6 -14.761 -11.914 -4.735 42 HG SER 6 HG SER 6 -16.164 -10.549 -5.893 43 H LYS 7 H LYS 7 -15.368 -8.414 -2.481 44 HA LYS 7 HA LYS 7 -18.216 -8.668 -2.226 45 1HB LYS 7 1HB LYS 7 -17.237 -9.535 0.007 46 2HB LYS 7 2HB LYS 7 -16.844 -7.857 0.319 47 1HG LYS 7 1HG LYS 7 -19.285 -7.339 -0.181 48 2HG LYS 7 2HG LYS 7 -19.566 -9.066 -0.108 49 1HD LYS 7 1HD LYS 7 -18.431 -9.000 2.175 50 2HD LYS 7 2HD LYS 7 -18.588 -7.257 2.084 51 1HE LYS 7 1HE LYS 7 -20.697 -7.418 2.808 52 2HE LYS 7 2HE LYS 7 -21.102 -8.373 1.397 53 1HZ LYS 7 1HZ LYS 7 -20.395 -10.326 2.576 54 2HZ LYS 7 2HZ LYS 7 -20.013 -9.423 3.911 55 3HZ LYS 7 3HZ LYS 7 -21.589 -9.545 3.417 56 H GLY 8 H GLY 8 -19.208 -6.692 -2.442 57 1HA GLY 8 1HA GLY 8 -17.951 -4.181 -1.948 58 2HA GLY 8 2HA GLY 8 -17.797 -4.595 -3.643 59 H GLU 9 H GLU 9 -20.303 -4.791 -1.100 60 HA GLU 9 HA GLU 9 -22.063 -3.017 -2.564 61 1HB GLU 9 1HB GLU 9 -22.317 -5.222 -3.762 62 2HB GLU 9 2HB GLU 9 -22.975 -5.871 -2.274 63 1HG GLU 9 1HG GLU 9 -24.945 -4.754 -2.504 64 2HG GLU 9 2HG GLU 9 -24.175 -3.335 -3.187 65 H ARG 10 H ARG 10 -22.607 -5.786 -0.371 66 HA ARG 10 HA ARG 10 -24.182 -4.200 1.439 67 1HB ARG 10 1HB ARG 10 -24.301 -6.737 0.954 68 2HB ARG 10 2HB ARG 10 -23.020 -6.858 2.144 69 1HG ARG 10 1HG ARG 10 -24.396 -6.295 3.880 70 2HG ARG 10 2HG ARG 10 -25.337 -5.183 2.907 71 1HD ARG 10 1HD ARG 10 -26.485 -7.054 1.847 72 2HD ARG 10 2HD ARG 10 -25.513 -8.187 2.764 73 HE ARG 10 HE ARG 10 -26.726 -6.531 4.648 74 1HH1 ARG 10 1HH2 ARG 10 -27.807 -8.808 2.214 75 2HH1 ARG 10 2HH2 ARG 10 -29.267 -9.200 3.094 76 1HH2 ARG 10 1HH1 ARG 10 -28.615 -7.061 5.726 77 2HH2 ARG 10 2HH1 ARG 10 -29.712 -8.235 5.034 78 H GLU 11 H GLU 11 -23.670 -4.330 3.850 79 HA GLU 11 HA GLU 11 -21.465 -2.737 4.458 80 1HB GLU 11 1HB GLU 11 -23.609 -3.440 5.846 81 2HB GLU 11 2HB GLU 11 -22.474 -4.571 6.556 82 1HG GLU 11 1HG GLU 11 -21.794 -2.883 7.887 83 2HG GLU 11 2HG GLU 11 -21.073 -2.163 6.462 84 H GLY 12 H GLY 12 -19.483 -3.280 3.866 85 1HA GLY 12 1HA GLY 12 -18.276 -5.732 4.977 86 2HA GLY 12 2HA GLY 12 -18.155 -5.428 3.256 87 H SER 13 H SER 13 -15.922 -5.218 3.313 88 HA SER 13 HA SER 13 -14.935 -2.589 3.606 89 1HB SER 13 1HB SER 13 -15.104 -3.864 6.085 90 2HB SER 13 2HB SER 13 -13.423 -4.024 5.619 91 HG SER 13 HG SER 13 -13.836 -2.090 6.762 92 H SER 14 H SER 14 -13.887 -5.961 4.172 93 HA SER 14 HA SER 14 -12.410 -6.073 1.709 94 1HB SER 14 1HB SER 14 -11.054 -4.708 3.596 95 2HB SER 14 2HB SER 14 -10.545 -6.341 3.979 96 HG SER 14 HG SER 14 -9.175 -5.325 2.480 97 H SER 15 H SER 15 -10.479 -7.972 2.886 98 HA SER 15 HA SER 15 -11.876 -10.410 2.743 99 1HB SER 15 1HB SER 15 -9.229 -10.044 4.109 100 2HB SER 15 2HB SER 15 -9.806 -11.435 3.212 101 HG SER 15 HG SER 15 -8.338 -10.161 2.003 102 H GLN 16 H GLN 16 -10.661 -11.863 4.952 103 HA GLN 16 HA GLN 16 -12.704 -11.415 6.928 104 1HB GLN 16 1HB GLN 16 -11.885 -13.622 6.503 105 2HB GLN 16 2HB GLN 16 -10.253 -13.138 6.916 106 1HG GLN 16 1HG GLN 16 -10.843 -12.786 9.203 107 2HG GLN 16 2HG GLN 16 -12.552 -12.934 8.847 108 1HE2 GLN 16 2HE2 GLN 16 -13.076 -14.646 10.124 109 2HE2 GLN 16 1HE2 GLN 16 -12.388 -16.243 9.931 110 H GLN 17 H GLN 17 -9.302 -10.553 6.678 111 HA GLN 17 HA GLN 17 -9.393 -8.404 8.465 112 1HB GLN 17 1HB GLN 17 -9.432 -10.758 9.902 113 2HB GLN 17 2HB GLN 17 -7.745 -10.288 9.926 114 1HG GLN 17 1HG GLN 17 -8.136 -8.567 11.312 115 2HG GLN 17 2HG GLN 17 -9.524 -8.036 10.385 116 1HE2 GLN 17 2HE2 GLN 17 -10.370 -7.469 12.497 117 2HE2 GLN 17 1HE2 GLN 17 -11.199 -8.703 13.418 118 H CYS 18 H CYS 18 -8.454 -9.054 5.875 119 HA CYS 18 HA CYS 18 -5.555 -9.238 6.115 120 1HB CYS 18 1HB CYS 18 -6.712 -10.210 4.223 121 2HB CYS 18 2HB CYS 18 -7.291 -8.620 3.769 122 H ARG 19 H ARG 19 -7.912 -6.695 5.046 123 HA ARG 19 HA ARG 19 -6.584 -4.483 4.630 124 1HB ARG 19 1HB ARG 19 -8.101 -3.186 6.098 125 2HB ARG 19 2HB ARG 19 -8.898 -4.322 5.029 126 1HG ARG 19 1HG ARG 19 -8.677 -5.936 7.109 127 2HG ARG 19 2HG ARG 19 -8.577 -4.427 7.996 128 1HD ARG 19 1HD ARG 19 -10.701 -3.725 7.200 129 2HD ARG 19 2HD ARG 19 -10.769 -5.038 6.041 130 HE ARG 19 HE ARG 19 -11.294 -5.183 8.913 131 1HH1 ARG 19 1HH2 ARG 19 -10.549 -7.005 6.031 132 2HH1 ARG 19 2HH2 ARG 19 -11.209 -8.489 6.680 133 1HH2 ARG 19 1HH1 ARG 19 -12.143 -7.064 9.698 134 2HH2 ARG 19 2HH1 ARG 19 -12.099 -8.521 8.729 135 H GLN 20 H GLN 20 -6.954 -5.296 8.105 136 HA GLN 20 HA GLN 20 -5.090 -3.547 9.151 137 1HB GLN 20 1HB GLN 20 -4.756 -5.350 10.909 138 2HB GLN 20 2HB GLN 20 -6.384 -4.751 10.661 139 1HG GLN 20 1HG GLN 20 -7.095 -6.821 10.285 140 2HG GLN 20 2HG GLN 20 -6.007 -6.949 8.917 141 1HE2 GLN 20 2HE2 GLN 20 -3.513 -7.007 10.115 142 2HE2 GLN 20 1HE2 GLN 20 -3.388 -8.430 11.124 143 H GLU 21 H GLU 21 -4.235 -6.976 8.379 144 HA GLU 21 HA GLU 21 -1.449 -6.517 8.514 145 1HB GLU 21 1HB GLU 21 -1.210 -8.702 8.044 146 2HB GLU 21 2HB GLU 21 -2.887 -8.694 8.548 147 1HG GLU 21 1HG GLU 21 -2.901 -10.030 6.652 148 2HG GLU 21 2HG GLU 21 -3.421 -8.473 6.042 149 H VAL 22 H VAL 22 -3.724 -5.757 6.072 150 HA VAL 22 HA VAL 22 -1.933 -5.858 3.839 151 HB VAL 22 HB VAL 22 -4.672 -5.711 4.198 152 1HG1 VAL 22 1HG1 VAL 22 -4.733 -3.277 4.118 153 2HG1 VAL 22 2HG1 VAL 22 -3.825 -3.314 2.566 154 3HG1 VAL 22 3HG1 VAL 22 -5.482 -4.006 2.654 155 1HG2 VAL 22 1HG2 VAL 22 -3.003 -5.633 1.698 156 2HG2 VAL 22 2HG2 VAL 22 -3.537 -7.088 2.607 157 3HG2 VAL 22 3HG2 VAL 22 -4.749 -6.056 1.771 158 H GLN 23 H GLN 23 -3.454 -3.248 5.717 159 HA GLN 23 HA GLN 23 -1.988 -1.164 4.428 160 1HB GLN 23 1HB GLN 23 -3.140 0.305 5.944 161 2HB GLN 23 2HB GLN 23 -4.260 -0.879 5.300 162 1HG GLN 23 1HG GLN 23 -4.797 -1.593 7.337 163 2HG GLN 23 2HG GLN 23 -3.113 -1.796 7.778 164 1HE2 GLN 23 2HE2 GLN 23 -5.758 -0.539 8.956 165 2HE2 GLN 23 1HE2 GLN 23 -5.146 0.912 9.719 166 H ARG 24 H ARG 24 -0.062 -2.813 5.208 167 HA ARG 24 HA ARG 24 1.463 -1.389 7.226 168 1HB ARG 24 1HB ARG 24 0.640 -4.263 7.526 169 2HB ARG 24 2HB ARG 24 2.014 -3.570 8.365 170 1HG ARG 24 1HG ARG 24 0.263 -1.758 9.090 171 2HG ARG 24 2HG ARG 24 -0.890 -3.025 8.728 172 1HD ARG 24 1HD ARG 24 1.441 -3.373 10.582 173 2HD ARG 24 2HD ARG 24 -0.166 -2.921 11.113 174 HE ARG 24 HE ARG 24 -0.692 -5.170 9.729 175 1HH1 ARG 24 1HH2 ARG 24 1.766 -4.530 12.138 176 2HH1 ARG 24 2HH2 ARG 24 1.789 -6.188 12.694 177 1HH2 ARG 24 1HH1 ARG 24 -0.628 -7.286 10.495 178 2HH2 ARG 24 2HH1 ARG 24 0.472 -7.703 11.790 179 H LYS 25 H LYS 25 1.279 -4.313 5.240 180 HA LYS 25 HA LYS 25 4.053 -3.795 4.365 181 1HB LYS 25 1HB LYS 25 4.087 -6.215 3.750 182 2HB LYS 25 2HB LYS 25 4.090 -5.843 5.462 183 1HG LYS 25 1HG LYS 25 1.394 -6.122 4.377 184 2HG LYS 25 2HG LYS 25 2.349 -7.578 4.190 185 1HD LYS 25 1HD LYS 25 1.791 -6.105 6.744 186 2HD LYS 25 2HD LYS 25 1.165 -7.672 6.276 187 1HE LYS 25 1HE LYS 25 2.897 -8.588 7.327 188 2HE LYS 25 2HE LYS 25 3.933 -7.908 6.089 189 1HZ LYS 25 1HZ LYS 25 4.116 -5.920 7.403 190 2HZ LYS 25 2HZ LYS 25 3.137 -6.564 8.573 191 3HZ LYS 25 3HZ LYS 25 4.621 -7.234 8.275 192 H ASP 26 H ASP 26 0.817 -4.620 3.284 193 HA ASP 26 HA ASP 26 1.196 -4.904 0.586 194 1HB ASP 26 1HB ASP 26 -1.026 -4.598 0.390 195 2HB ASP 26 2HB ASP 26 -0.914 -4.864 2.118 196 H LEU 27 H LEU 27 -0.126 -2.982 -0.835 197 HA LEU 27 HA LEU 27 1.814 -1.014 -1.340 198 1HB LEU 27 1HB LEU 27 -1.118 -0.995 -1.923 199 2HB LEU 27 2HB LEU 27 0.065 0.079 -2.642 200 HG LEU 27 HG LEU 27 0.182 -1.395 -4.251 201 1HD1 LEU 27 1HD1 LEU 27 2.311 -1.953 -3.330 202 2HD1 LEU 27 2HD1 LEU 27 1.543 -3.226 -2.319 203 3HD1 LEU 27 3HD1 LEU 27 1.539 -3.376 -4.110 204 1HD2 LEU 27 1HD2 LEU 27 -1.003 -3.505 -2.494 205 2HD2 LEU 27 2HD2 LEU 27 -1.858 -2.468 -3.688 206 3HD2 LEU 27 3HD2 LEU 27 -0.648 -3.674 -4.248 207 H SER 28 H SER 28 2.435 -0.191 0.697 208 HA SER 28 HA SER 28 0.644 1.845 1.869 209 1HB SER 28 1HB SER 28 1.875 -0.462 3.200 210 2HB SER 28 2HB SER 28 2.116 1.070 4.012 211 HG SER 28 HG SER 28 0.204 0.015 4.682 212 H SER 29 H SER 29 2.492 2.156 -0.168 213 HA SER 29 HA SER 29 4.091 4.252 0.876 214 1HB SER 29 1HB SER 29 5.375 2.020 1.482 215 2HB SER 29 2HB SER 29 5.870 2.129 -0.196 216 HG SER 29 HG SER 29 7.254 3.328 1.206 217 H CYS 30 H CYS 30 3.422 1.941 -1.719 218 HA CYS 30 HA CYS 30 4.731 3.200 -3.843 219 1HB CYS 30 1HB CYS 30 1.989 2.062 -4.121 220 2HB CYS 30 2HB CYS 30 3.347 1.941 -5.221 221 H GLU 31 H GLU 31 1.317 3.651 -2.841 222 HA GLU 31 HA GLU 31 1.053 6.023 -4.460 223 1HB GLU 31 1HB GLU 31 -0.558 4.332 -2.829 224 2HB GLU 31 2HB GLU 31 -0.814 5.995 -2.340 225 1HG GLU 31 1HG GLU 31 -1.219 4.811 -5.062 226 2HG GLU 31 2HG GLU 31 -2.436 5.479 -3.993 227 H ARG 32 H ARG 32 1.918 5.381 -1.049 228 HA ARG 32 HA ARG 32 1.808 8.050 -0.152 229 1HB ARG 32 1HB ARG 32 2.339 5.853 1.107 230 2HB ARG 32 2HB ARG 32 4.001 6.239 0.710 231 1HG ARG 32 1HG ARG 32 3.711 7.271 2.785 232 2HG ARG 32 2HG ARG 32 3.437 8.583 1.658 233 1HD ARG 32 1HD ARG 32 1.569 8.848 2.969 234 2HD ARG 32 2HD ARG 32 0.930 7.691 1.818 235 HE ARG 32 HE ARG 32 0.757 6.138 3.507 236 1HH1 ARG 32 1HH2 ARG 32 2.980 8.643 4.548 237 2HH1 ARG 32 2HH2 ARG 32 3.152 7.956 6.148 238 1HH2 ARG 32 1HH1 ARG 32 1.040 5.296 5.571 239 2HH2 ARG 32 2HH1 ARG 32 2.085 6.118 6.708 240 H TYR 33 H TYR 33 4.230 6.490 -2.156 241 HA TYR 33 HA TYR 33 6.419 8.206 -1.879 242 1HB TYR 33 1HB TYR 33 6.451 6.037 -2.988 243 2HB TYR 33 2HB TYR 33 5.391 6.650 -4.241 244 HD1 TYR 33 1HD TYR 33 6.392 7.174 -6.274 245 HD2 TYR 33 2HD TYR 33 8.559 7.774 -2.616 246 HE1 TYR 33 1HE TYR 33 8.415 7.808 -7.586 247 HE2 TYR 33 2HE TYR 33 10.608 8.340 -3.906 248 HH TYR 33 HH TYR 33 11.477 8.644 -5.873 249 H LEU 34 H LEU 34 3.909 8.158 -4.412 250 HA LEU 34 HA LEU 34 4.641 10.764 -5.376 251 1HB LEU 34 1HB LEU 34 2.733 10.515 -6.825 252 2HB LEU 34 2HB LEU 34 3.731 9.074 -6.816 253 HG LEU 34 HG LEU 34 1.997 8.343 -4.977 254 1HD1 LEU 34 1HD1 LEU 34 0.761 10.440 -4.931 255 2HD1 LEU 34 2HD1 LEU 34 0.410 10.283 -6.687 256 3HD1 LEU 34 3HD1 LEU 34 -0.295 9.111 -5.521 257 1HD2 LEU 34 1HD2 LEU 34 1.607 8.194 -7.962 258 2HD2 LEU 34 2HD2 LEU 34 2.621 7.113 -6.945 259 3HD2 LEU 34 3HD2 LEU 34 0.833 7.107 -6.757 260 H ARG 35 H ARG 35 2.722 9.694 -2.748 261 HA ARG 35 HA ARG 35 1.070 12.074 -2.569 262 1HB ARG 35 1HB ARG 35 0.549 9.725 -1.676 263 2HB ARG 35 2HB ARG 35 1.601 10.151 -0.341 264 1HG ARG 35 1HG ARG 35 0.003 12.348 -0.499 265 2HG ARG 35 2HG ARG 35 -1.106 11.072 -0.960 266 1HD ARG 35 1HD ARG 35 -0.623 9.860 1.087 267 2HD ARG 35 2HD ARG 35 0.596 11.037 1.530 268 HE ARG 35 HE ARG 35 -2.250 11.265 1.904 269 1HH1 ARG 35 1HH2 ARG 35 0.666 13.168 1.407 270 2HH1 ARG 35 2HH2 ARG 35 -0.052 14.612 2.083 271 1HH2 ARG 35 1HH1 ARG 35 -3.122 13.147 2.720 272 2HH2 ARG 35 2HH1 ARG 35 -2.151 14.599 2.810 273 H GLN 36 H GLN 36 4.110 10.952 -1.287 274 HA GLN 36 HA GLN 36 4.387 13.102 0.623 275 1HB GLN 36 1HB GLN 36 5.419 10.571 0.518 276 2HB GLN 36 2HB GLN 36 6.788 11.544 0.017 277 1HG GLN 36 1HG GLN 36 7.034 12.478 2.071 278 2HG GLN 36 2HG GLN 36 5.306 12.625 2.315 279 1HE2 GLN 36 2HE2 GLN 36 4.295 11.191 3.664 280 2HE2 GLN 36 1HE2 GLN 36 5.053 9.751 4.309 281 H SER 37 H SER 37 7.052 13.734 0.380 282 HA SER 37 HA SER 37 7.448 14.779 -2.346 283 1HB SER 37 1HB SER 37 6.190 16.366 -0.595 284 2HB SER 37 2HB SER 37 7.847 16.716 -0.146 285 HG SER 37 HG SER 37 7.081 18.091 -1.806 286 H SER 38 H SER 38 8.653 14.523 0.991 287 HA SER 38 HA SER 38 11.305 13.827 -0.056 288 1HB SER 38 1HB SER 38 12.458 15.391 1.369 289 2HB SER 38 2HB SER 38 11.383 16.245 0.280 290 HG SER 38 HG SER 38 11.282 17.046 2.417 291 H SER 39 H SER 39 11.762 11.920 0.802 292 HA SER 39 HA SER 39 11.510 11.579 3.703 293 1HB SER 39 1HB SER 39 9.357 10.770 2.999 294 2HB SER 39 2HB SER 39 10.087 9.811 1.728 295 HG SER 39 HG SER 39 9.596 8.564 3.594 296 H ARG 40 H ARG 40 13.278 10.645 4.432 297 HA ARG 40 HA ARG 40 14.532 8.407 3.139 298 1HB ARG 40 1HB ARG 40 15.325 10.359 1.726 299 2HB ARG 40 2HB ARG 40 16.147 10.955 3.154 300 1HG ARG 40 1HG ARG 40 16.965 8.349 3.124 301 2HG ARG 40 2HG ARG 40 16.831 8.680 1.408 302 1HD ARG 40 1HD ARG 40 18.251 10.603 3.200 303 2HD ARG 40 2HD ARG 40 19.073 9.167 2.623 304 HE ARG 40 HE ARG 40 18.012 10.254 0.336 305 1HH1 ARG 40 1HH2 ARG 40 20.066 11.544 2.855 306 2HH1 ARG 40 2HH2 ARG 40 20.872 12.650 1.767 307 1HH2 ARG 40 1HH1 ARG 40 19.095 11.686 -1.027 308 2HH2 ARG 40 2HH1 ARG 40 20.337 12.729 -0.372 309 H ARG 41 H ARG 41 13.620 8.218 5.534 310 HA ARG 41 HA ARG 41 14.840 9.260 7.751 311 1HB ARG 41 1HB ARG 41 13.424 6.833 7.145 312 2HB ARG 41 2HB ARG 41 14.642 6.565 8.377 313 1HG ARG 41 1HG ARG 41 13.543 8.823 9.307 314 2HG ARG 41 2HG ARG 41 12.157 8.127 8.492 315 1HD ARG 41 1HD ARG 41 12.645 5.973 9.714 316 2HD ARG 41 2HD ARG 41 13.833 6.855 10.653 317 HE ARG 41 HE ARG 41 12.133 7.842 11.865 318 1HH1 ARG 41 1HH2 ARG 41 10.749 6.421 8.965 319 2HH1 ARG 41 2HH2 ARG 41 9.111 6.776 9.464 320 1HH2 ARG 41 1HH1 ARG 41 10.020 8.289 12.432 321 2HH2 ARG 41 2HH1 ARG 41 8.709 7.808 11.378 322 H SER 42 H SER 42 16.655 8.997 8.985 323 HA SER 42 HA SER 42 18.928 7.893 7.506 324 1HB SER 42 1HB SER 42 20.316 9.001 9.124 325 2HB SER 42 2HB SER 42 19.101 10.107 8.514 326 HG SER 42 HG SER 42 19.331 10.224 10.789 327 H THR 43 H THR 43 18.943 5.705 7.565 328 HA THR 43 HA THR 43 19.235 4.546 10.261 329 HB THR 43 HB THR 43 17.334 3.327 8.265 330 HG1 THR 43 1HG THR 43 15.732 4.096 9.724 331 1HG2 THR 43 1HG2 THR 43 18.277 1.768 9.986 332 2HG2 THR 43 2HG2 THR 43 17.708 2.903 11.259 333 3HG2 THR 43 3HG2 THR 43 16.517 2.059 10.209 334 H GLY 44 H GLY 44 20.732 2.967 10.411 335 1HA GLY 44 1HA GLY 44 22.489 2.544 8.168 336 2HA GLY 44 2HA GLY 44 22.584 1.765 9.735 337 H GLU 45 H GLU 45 19.520 1.234 8.728 338 HA GLU 45 HA GLU 45 20.009 -1.016 6.935 339 1HB GLU 45 1HB GLU 45 20.291 -2.029 9.106 340 2HB GLU 45 2HB GLU 45 18.782 -1.332 9.661 341 1HG GLU 45 1HG GLU 45 17.495 -2.801 8.447 342 2HG GLU 45 2HG GLU 45 18.718 -3.016 7.211 343 H GLU 46 H GLU 46 18.962 0.993 5.819 344 HA GLU 46 HA GLU 46 16.038 0.860 6.161 345 1HB GLU 46 1HB GLU 46 17.652 2.995 5.851 346 2HB GLU 46 2HB GLU 46 17.172 2.715 4.188 347 1HG GLU 46 1HG GLU 46 14.842 2.803 4.776 348 2HG GLU 46 2HG GLU 46 15.224 2.839 6.485 349 H VAL 47 H VAL 47 15.430 1.676 3.507 350 HA VAL 47 HA VAL 47 15.596 -0.873 2.124 351 HB VAL 47 HB VAL 47 13.607 0.703 2.411 352 1HG1 VAL 47 1HG1 VAL 47 14.587 2.748 1.500 353 2HG1 VAL 47 2HG1 VAL 47 14.849 1.916 -0.073 354 3HG1 VAL 47 3HG1 VAL 47 13.177 2.213 0.520 355 1HG2 VAL 47 1HG2 VAL 47 14.302 -0.685 -0.186 356 2HG2 VAL 47 2HG2 VAL 47 13.589 -1.436 1.284 357 3HG2 VAL 47 3HG2 VAL 47 12.640 -0.238 0.337 358 H LEU 48 H LEU 48 18.019 0.906 2.476 359 HA LEU 48 HA LEU 48 18.713 1.532 -0.301 360 1HB LEU 48 1HB LEU 48 19.647 2.295 2.371 361 2HB LEU 48 2HB LEU 48 20.908 2.139 1.164 362 HG LEU 48 HG LEU 48 18.436 3.704 0.549 363 1HD1 LEU 48 1HD1 LEU 48 19.231 4.569 2.709 364 2HD1 LEU 48 2HD1 LEU 48 20.885 4.735 2.026 365 3HD1 LEU 48 3HD1 LEU 48 19.544 5.752 1.391 366 1HD2 LEU 48 1HD2 LEU 48 21.334 3.935 -0.356 367 2HD2 LEU 48 2HD2 LEU 48 19.996 3.187 -1.296 368 3HD2 LEU 48 3HD2 LEU 48 19.970 4.950 -0.942 369 H ARG 49 H ARG 49 18.199 -1.142 -0.032 370 HA ARG 49 HA ARG 49 20.909 -2.294 -0.374 371 1HB ARG 49 1HB ARG 49 19.399 -2.912 1.763 372 2HB ARG 49 2HB ARG 49 18.814 -4.107 0.623 373 1HG ARG 49 1HG ARG 49 20.933 -5.082 0.368 374 2HG ARG 49 2HG ARG 49 21.761 -3.658 0.965 375 1HD ARG 49 1HD ARG 49 20.628 -4.116 3.199 376 2HD ARG 49 2HD ARG 49 20.191 -5.681 2.541 377 HE ARG 49 HE ARG 49 22.971 -5.285 2.161 378 1HH1 ARG 49 1HH2 ARG 49 20.701 -5.924 4.759 379 2HH1 ARG 49 2HH2 ARG 49 21.919 -6.687 5.757 380 1HH2 ARG 49 1HH1 ARG 49 24.482 -6.245 3.484 381 2HH2 ARG 49 2HH1 ARG 49 24.013 -6.865 5.050 382 H MET 50 H MET 50 20.763 -4.472 -1.539 383 HA MET 50 HA MET 50 18.493 -4.908 -3.245 384 1HB MET 50 1HB MET 50 19.583 -2.881 -4.271 385 2HB MET 50 2HB MET 50 20.973 -3.893 -4.610 386 1HG MET 50 1HG MET 50 18.349 -4.936 -5.444 387 2HG MET 50 2HG MET 50 18.958 -3.554 -6.334 388 1HE MET 50 1HE MET 50 18.332 -6.006 -7.974 389 2HE MET 50 2HE MET 50 19.205 -4.577 -8.628 390 3HE MET 50 3HE MET 50 19.837 -6.232 -8.930 391 HA PRO 51 HA PRO 51 21.318 -8.427 -2.569 392 1HB PRO 51 1HB PRO 51 19.418 -10.191 -1.639 393 2HB PRO 51 2HB PRO 51 20.452 -9.206 -0.624 394 1HG PRO 51 1HG PRO 51 17.587 -8.886 -1.202 395 2HG PRO 51 2HG PRO 51 18.529 -8.197 0.105 396 1HD PRO 51 1HD PRO 51 17.668 -6.888 -2.278 397 2HD PRO 51 2HD PRO 51 18.684 -6.227 -1.014 398 H GLY 52 H GLY 52 18.420 -7.864 -4.325 399 1HA GLY 52 1HA GLY 52 18.842 -8.741 -6.729 400 2HA GLY 52 2HA GLY 52 18.744 -10.309 -5.954 401 H ASP 53 H ASP 53 17.025 -7.658 -7.234 402 HA ASP 53 HA ASP 53 14.551 -8.926 -7.479 403 1HB ASP 53 1HB ASP 53 14.953 -7.782 -4.818 404 2HB ASP 53 2HB ASP 53 13.582 -7.076 -5.651 405 H GLU 54 H GLU 54 14.059 -7.848 -9.319 406 HA GLU 54 HA GLU 54 14.914 -5.445 -10.248 407 1HB GLU 54 1HB GLU 54 13.061 -7.272 -11.069 408 2HB GLU 54 2HB GLU 54 12.092 -5.829 -10.847 409 1HG GLU 54 1HG GLU 54 14.609 -5.307 -12.224 410 2HG GLU 54 2HG GLU 54 13.578 -6.430 -13.087 411 H ASN 55 H ASN 55 15.197 -3.771 -8.927 412 HA ASN 55 HA ASN 55 12.791 -2.615 -7.655 413 1HB ASN 55 1HB ASN 55 14.168 -1.838 -5.856 414 2HB ASN 55 2HB ASN 55 14.481 -3.549 -6.068 415 1HD2 ASN 55 2HD2 ASN 55 15.805 -0.351 -6.219 416 2HD2 ASN 55 1HD2 ASN 55 17.438 -0.817 -6.645 417 H GLN 56 H GLN 56 13.728 -0.160 -7.020 418 HA GLN 56 HA GLN 56 13.607 1.495 -9.135 419 1HB GLN 56 1HB GLN 56 14.374 3.083 -7.746 420 2HB GLN 56 2HB GLN 56 14.167 1.801 -6.570 421 1HG GLN 56 1HG GLN 56 16.635 1.246 -7.080 422 2HG GLN 56 2HG GLN 56 16.691 2.855 -7.770 423 1HE2 GLN 56 2HE2 GLN 56 16.569 4.658 -6.453 424 2HE2 GLN 56 1HE2 GLN 56 16.702 4.536 -4.714 425 H GLN 57 H GLN 57 14.970 2.633 -10.538 426 HA GLN 57 HA GLN 57 17.207 0.950 -11.445 427 1HB GLN 57 1HB GLN 57 15.310 1.982 -12.883 428 2HB GLN 57 2HB GLN 57 16.293 3.432 -12.815 429 1HG GLN 57 1HG GLN 57 18.187 2.254 -13.760 430 2HG GLN 57 2HG GLN 57 17.320 0.732 -13.693 431 1HE2 GLN 57 2HE2 GLN 57 17.016 4.039 -15.024 432 2HE2 GLN 57 1HE2 GLN 57 16.259 3.546 -16.522 433 H GLN 58 H GLN 58 16.579 4.110 -10.056 434 HA GLN 58 HA GLN 58 19.286 4.390 -9.163 435 1HB GLN 58 1HB GLN 58 18.601 5.514 -11.734 436 2HB GLN 58 2HB GLN 58 19.067 6.772 -10.607 437 1HG GLN 58 1HG GLN 58 21.022 5.102 -10.053 438 2HG GLN 58 2HG GLN 58 20.662 4.486 -11.653 439 1HE2 GLN 58 2HE2 GLN 58 22.751 6.377 -10.143 440 2HE2 GLN 58 1HE2 GLN 58 23.041 7.602 -11.357 441 H GLU 59 H GLU 59 17.113 7.021 -10.136 442 HA GLU 59 HA GLU 59 17.061 7.952 -7.363 443 1HB GLU 59 1HB GLU 59 16.366 9.129 -10.008 444 2HB GLU 59 2HB GLU 59 15.717 9.844 -8.546 445 1HG GLU 59 1HG GLU 59 18.440 9.398 -8.033 446 2HG GLU 59 2HG GLU 59 18.363 10.072 -9.648 447 H SER 60 H SER 60 15.751 6.435 -6.363 448 HA SER 60 HA SER 60 13.043 6.870 -6.169 449 1HB SER 60 1HB SER 60 12.324 4.629 -7.417 450 2HB SER 60 2HB SER 60 12.237 6.218 -8.148 451 HG SER 60 HG SER 60 13.216 4.673 -9.524 452 H GLN 61 H GLN 61 14.771 6.407 -4.240 453 HA GLN 61 HA GLN 61 15.159 3.669 -3.558 454 1HB GLN 61 1HB GLN 61 15.760 4.471 -1.359 455 2HB GLN 61 2HB GLN 61 16.468 5.479 -2.604 456 1HG GLN 61 1HG GLN 61 14.159 6.795 -2.223 457 2HG GLN 61 2HG GLN 61 14.369 6.112 -0.623 458 1HE2 GLN 61 2HE2 GLN 61 14.320 8.585 -0.330 459 2HE2 GLN 61 1HE2 GLN 61 15.886 9.365 -0.309 460 H GLN 62 H GLN 62 12.451 5.784 -3.152 461 HA GLN 62 HA GLN 62 11.115 4.171 -1.174 462 1HB GLN 62 1HB GLN 62 10.693 6.605 -2.649 463 2HB GLN 62 2HB GLN 62 9.229 5.651 -2.529 464 1HG GLN 62 1HG GLN 62 10.936 6.295 -0.151 465 2HG GLN 62 2HG GLN 62 9.623 7.327 -0.680 466 1HE2 GLN 62 2HE2 GLN 62 9.596 6.179 1.856 467 2HE2 GLN 62 1HE2 GLN 62 8.313 4.992 1.914 468 H LEU 63 H LEU 63 10.664 4.625 -4.727 469 HA LEU 63 HA LEU 63 8.593 2.858 -5.187 470 1HB LEU 63 1HB LEU 63 9.721 4.289 -6.827 471 2HB LEU 63 2HB LEU 63 11.100 3.207 -6.803 472 HG LEU 63 HG LEU 63 8.487 2.022 -7.425 473 1HD1 LEU 63 1HD1 LEU 63 8.307 4.097 -8.670 474 2HD1 LEU 63 2HD1 LEU 63 9.931 3.817 -9.391 475 3HD1 LEU 63 3HD1 LEU 63 8.567 2.718 -9.794 476 1HD2 LEU 63 1HD2 LEU 63 11.260 1.638 -8.585 477 2HD2 LEU 63 2HD2 LEU 63 10.463 0.603 -7.350 478 3HD2 LEU 63 3HD2 LEU 63 9.804 0.678 -9.020 479 H GLN 64 H GLN 64 11.990 2.065 -4.557 480 HA GLN 64 HA GLN 64 11.749 -0.745 -4.878 481 1HB GLN 64 1HB GLN 64 13.927 -0.053 -4.832 482 2HB GLN 64 2HB GLN 64 13.646 1.097 -3.539 483 1HG GLN 64 1HG GLN 64 13.825 -0.489 -1.897 484 2HG GLN 64 2HG GLN 64 13.287 -1.786 -2.943 485 1HE2 GLN 64 2HE2 GLN 64 15.037 -2.820 -1.694 486 2HE2 GLN 64 1HE2 GLN 64 16.636 -2.753 -2.402 487 H GLN 65 H GLN 65 11.590 1.261 -1.912 488 HA GLN 65 HA GLN 65 11.002 -0.751 -0.086 489 1HB GLN 65 1HB GLN 65 11.211 1.950 0.067 490 2HB GLN 65 2HB GLN 65 9.491 1.731 0.314 491 1HG GLN 65 1HG GLN 65 11.512 0.123 1.834 492 2HG GLN 65 2HG GLN 65 11.012 1.712 2.379 493 1HE2 GLN 65 2HE2 GLN 65 10.604 -1.383 3.073 494 2HE2 GLN 65 1HE2 GLN 65 8.931 -1.387 3.586 495 H CYS 66 H CYS 66 8.841 0.841 -2.392 496 HA CYS 66 HA CYS 66 6.465 -0.393 -1.442 497 1HB CYS 66 1HB CYS 66 6.075 1.370 -2.873 498 2HB CYS 66 2HB CYS 66 7.276 0.827 -4.025 499 H CYS 67 H CYS 67 8.641 -1.354 -4.210 500 HA CYS 67 HA CYS 67 7.354 -3.740 -4.801 501 1HB CYS 67 1HB CYS 67 9.308 -2.716 -5.972 502 2HB CYS 67 2HB CYS 67 10.329 -3.425 -4.737 503 H ASN 68 H ASN 68 10.093 -3.418 -2.534 504 HA ASN 68 HA ASN 68 10.026 -6.017 -1.487 505 1HB ASN 68 1HB ASN 68 11.720 -4.145 -1.132 506 2HB ASN 68 2HB ASN 68 10.635 -3.546 0.106 507 1HD2 ASN 68 2HD2 ASN 68 12.235 -3.914 1.720 508 2HD2 ASN 68 1HD2 ASN 68 12.579 -5.534 2.283 509 H GLN 69 H GLN 69 8.102 -3.169 -0.612 510 HA GLN 69 HA GLN 69 6.798 -4.282 1.648 511 1HB GLN 69 1HB GLN 69 6.343 -1.977 -0.147 512 2HB GLN 69 2HB GLN 69 4.970 -2.537 0.787 513 1HG GLN 69 1HG GLN 69 7.617 -2.087 2.096 514 2HG GLN 69 2HG GLN 69 6.522 -0.748 1.816 515 1HE2 GLN 69 2HE2 GLN 69 4.416 -0.792 2.770 516 2HE2 GLN 69 1HE2 GLN 69 4.149 -1.715 4.232 517 H VAL 70 H VAL 70 5.839 -4.159 -1.778 518 HA VAL 70 HA VAL 70 3.418 -5.628 -1.424 519 HB VAL 70 HB VAL 70 4.891 -5.692 -3.997 520 1HG1 VAL 70 1HG1 VAL 70 2.665 -6.667 -3.836 521 2HG1 VAL 70 2HG1 VAL 70 2.025 -5.098 -3.234 522 3HG1 VAL 70 3HG1 VAL 70 2.658 -5.227 -4.912 523 1HG2 VAL 70 1HG2 VAL 70 3.589 -3.169 -2.939 524 2HG2 VAL 70 2HG2 VAL 70 5.346 -3.398 -3.245 525 3HG2 VAL 70 3HG2 VAL 70 4.183 -3.431 -4.616 526 H LYS 71 H LYS 71 6.763 -6.559 -1.634 527 HA LYS 71 HA LYS 71 6.202 -9.307 -2.332 528 1HB LYS 71 1HB LYS 71 8.368 -7.858 -2.589 529 2HB LYS 71 2HB LYS 71 8.700 -8.454 -0.976 530 1HG LYS 71 1HG LYS 71 9.537 -10.282 -1.987 531 2HG LYS 71 2HG LYS 71 7.872 -10.718 -2.313 532 1HD LYS 71 1HD LYS 71 9.160 -8.847 -4.217 533 2HD LYS 71 2HD LYS 71 9.707 -10.511 -4.253 534 1HE LYS 71 1HE LYS 71 7.081 -10.968 -4.236 535 2HE LYS 71 2HE LYS 71 7.059 -9.379 -4.973 536 1HZ LYS 71 1HZ LYS 71 8.604 -10.170 -6.613 537 2HZ LYS 71 2HZ LYS 71 8.625 -11.672 -5.916 538 3HZ LYS 71 3HZ LYS 71 7.236 -11.103 -6.614 539 H GLN 72 H GLN 72 6.330 -7.432 0.592 540 HA GLN 72 HA GLN 72 6.218 -9.807 2.299 541 1HB GLN 72 1HB GLN 72 6.684 -6.910 2.721 542 2HB GLN 72 2HB GLN 72 6.010 -7.833 4.049 543 1HG GLN 72 1HG GLN 72 8.377 -7.862 4.289 544 2HG GLN 72 2HG GLN 72 7.872 -9.460 3.776 545 1HE2 GLN 72 2HE2 GLN 72 10.180 -7.158 3.374 546 2HE2 GLN 72 1HE2 GLN 72 10.771 -7.647 1.802 547 H VAL 73 H VAL 73 4.060 -8.178 0.471 548 HA VAL 73 HA VAL 73 1.844 -7.889 2.217 549 HB VAL 73 HB VAL 73 2.267 -6.937 -0.111 550 1HG1 VAL 73 1HG1 VAL 73 2.572 -9.031 -1.323 551 2HG1 VAL 73 2HG1 VAL 73 0.902 -9.524 -0.875 552 3HG1 VAL 73 3HG1 VAL 73 1.163 -8.111 -1.954 553 1HG2 VAL 73 1HG2 VAL 73 -0.467 -8.002 0.627 554 2HG2 VAL 73 2HG2 VAL 73 0.260 -6.454 1.183 555 3HG2 VAL 73 3HG2 VAL 73 -0.135 -6.689 -0.554 556 H ARG 74 H ARG 74 -0.250 -9.129 1.737 557 HA ARG 74 HA ARG 74 0.052 -11.799 2.575 558 1HB ARG 74 1HB ARG 74 -2.145 -10.039 1.957 559 2HB ARG 74 2HB ARG 74 -2.459 -11.683 1.442 560 1HG ARG 74 1HG ARG 74 -1.426 -10.992 4.165 561 2HG ARG 74 2HG ARG 74 -3.133 -11.127 3.799 562 1HD ARG 74 1HD ARG 74 -1.902 -13.453 2.793 563 2HD ARG 74 2HD ARG 74 -1.266 -13.200 4.406 564 HE ARG 74 HE ARG 74 -4.092 -12.827 4.403 565 1HH1 ARG 74 1HH2 ARG 74 -1.692 -15.364 4.290 566 2HH1 ARG 74 2HH2 ARG 74 -2.781 -16.553 4.971 567 1HH2 ARG 74 1HH1 ARG 74 -5.449 -14.380 5.254 568 2HH2 ARG 74 2HH1 ARG 74 -4.860 -16.008 5.505 569 H ASP 75 H ASP 75 -1.711 -11.089 -0.393 570 HA ASP 75 HA ASP 75 -0.044 -12.485 -2.217 571 1HB ASP 75 1HB ASP 75 -2.073 -14.081 -0.717 572 2HB ASP 75 2HB ASP 75 -1.791 -14.439 -2.409 573 H GLU 76 H GLU 76 -3.483 -13.108 -1.909 574 HA GLU 76 HA GLU 76 -4.139 -11.717 -4.335 575 1HB GLU 76 1HB GLU 76 -6.192 -12.723 -4.189 576 2HB GLU 76 2HB GLU 76 -5.159 -13.864 -3.352 577 1HG GLU 76 1HG GLU 76 -6.886 -11.804 -1.995 578 2HG GLU 76 2HG GLU 76 -7.322 -13.488 -2.211 579 H CYS 77 H CYS 77 -3.637 -10.640 -1.264 580 HA CYS 77 HA CYS 77 -5.672 -8.567 -1.317 581 1HB CYS 77 1HB CYS 77 -3.575 -9.498 0.532 582 2HB CYS 77 2HB CYS 77 -4.042 -7.812 0.627 583 H GLN 78 H GLN 78 -2.703 -9.089 -2.898 584 HA GLN 78 HA GLN 78 -1.442 -6.609 -2.805 585 1HB GLN 78 1HB GLN 78 -1.687 -8.856 -4.690 586 2HB GLN 78 2HB GLN 78 -1.206 -7.336 -5.418 587 1HG GLN 78 1HG GLN 78 0.569 -7.133 -3.724 588 2HG GLN 78 2HG GLN 78 0.119 -8.708 -3.103 589 1HE2 GLN 78 2HE2 GLN 78 2.697 -8.620 -3.705 590 2HE2 GLN 78 1HE2 GLN 78 3.043 -9.297 -5.281 591 H CYS 79 H CYS 79 -4.280 -7.604 -4.804 592 HA CYS 79 HA CYS 79 -4.376 -5.070 -6.129 593 1HB CYS 79 1HB CYS 79 -5.503 -6.460 -7.403 594 2HB CYS 79 2HB CYS 79 -5.965 -7.481 -6.057 595 H GLU 80 H GLU 80 -6.664 -6.461 -3.809 596 HA GLU 80 HA GLU 80 -8.064 -4.150 -3.165 597 1HB GLU 80 1HB GLU 80 -8.785 -6.349 -2.493 598 2HB GLU 80 2HB GLU 80 -7.397 -6.516 -1.437 599 1HG GLU 80 1HG GLU 80 -9.341 -5.946 -0.118 600 2HG GLU 80 2HG GLU 80 -8.216 -4.602 -0.106 601 H ALA 81 H ALA 81 -4.844 -5.020 -2.299 602 HA ALA 81 HA ALA 81 -4.498 -3.291 -0.069 603 1HB ALA 81 1HB ALA 81 -3.004 -5.144 -0.630 604 2HB ALA 81 2HB ALA 81 -2.563 -4.318 -2.166 605 3HB ALA 81 3HB ALA 81 -2.100 -3.590 -0.588 606 H ILE 82 H ILE 82 -3.849 -2.867 -3.555 607 HA ILE 82 HA ILE 82 -3.070 -0.131 -3.252 608 HB ILE 82 HB ILE 82 -3.058 -2.029 -5.273 609 1HG1 ILE 82 1HG1 ILE 82 -2.155 0.768 -5.725 610 2HG1 ILE 82 2HG1 ILE 82 -1.434 -0.171 -4.433 611 1HG2 ILE 82 1HG2 ILE 82 -5.188 -1.252 -6.148 612 2HG2 ILE 82 2HG2 ILE 82 -4.551 0.428 -6.204 613 3HG2 ILE 82 3HG2 ILE 82 -3.841 -0.838 -7.263 614 1HD1 ILE 82 1HD1 ILE 82 -0.817 -1.945 -6.033 615 2HD1 ILE 82 2HD1 ILE 82 -1.557 -0.983 -7.360 616 3HD1 ILE 82 3HD1 ILE 82 -0.105 -0.361 -6.499 617 H LYS 83 H LYS 83 -6.117 -1.788 -3.621 618 HA LYS 83 HA LYS 83 -7.661 0.498 -4.354 619 1HB LYS 83 1HB LYS 83 -8.481 -2.036 -2.966 620 2HB LYS 83 2HB LYS 83 -9.571 -0.884 -3.713 621 1HG LYS 83 1HG LYS 83 -7.396 -2.359 -5.190 622 2HG LYS 83 2HG LYS 83 -9.071 -2.873 -5.139 623 1HD LYS 83 1HD LYS 83 -8.079 -0.261 -6.272 624 2HD LYS 83 2HD LYS 83 -8.581 -1.654 -7.209 625 1HE LYS 83 1HE LYS 83 -10.783 -1.439 -5.797 626 2HE LYS 83 2HE LYS 83 -10.241 0.211 -5.567 627 1HZ LYS 83 1HZ LYS 83 -10.135 0.455 -7.935 628 2HZ LYS 83 2HZ LYS 83 -10.647 -1.105 -8.152 629 3HZ LYS 83 3HZ LYS 83 -11.661 0.012 -7.468 630 H TYR 84 H TYR 84 -6.121 -0.320 -1.471 631 HA TYR 84 HA TYR 84 -7.860 1.250 0.284 632 1HB TYR 84 1HB TYR 84 -6.925 -0.800 1.123 633 2HB TYR 84 2HB TYR 84 -5.313 -0.305 0.647 634 HD1 TYR 84 1HD TYR 84 -4.007 1.274 1.981 635 HD2 TYR 84 2HD TYR 84 -8.017 0.094 3.073 636 HE1 TYR 84 1HE TYR 84 -3.699 2.326 4.221 637 HE2 TYR 84 2HE TYR 84 -7.678 1.057 5.344 638 HH TYR 84 HH TYR 84 -6.296 2.171 6.680 639 H ILE 85 H ILE 85 -4.369 1.202 -0.581 640 HA ILE 85 HA ILE 85 -3.886 3.741 0.557 641 HB ILE 85 HB ILE 85 -2.248 1.959 0.034 642 1HG1 ILE 85 1HG1 ILE 85 -0.394 3.456 -0.246 643 2HG1 ILE 85 2HG1 ILE 85 -1.463 4.711 -0.839 644 1HG2 ILE 85 1HG2 ILE 85 -2.787 1.472 -2.284 645 2HG2 ILE 85 2HG2 ILE 85 -2.317 3.142 -2.755 646 3HG2 ILE 85 3HG2 ILE 85 -1.074 1.999 -2.137 647 1HD1 ILE 85 1HD1 ILE 85 -2.610 4.797 1.342 648 2HD1 ILE 85 2HD1 ILE 85 -1.513 3.509 1.951 649 3HD1 ILE 85 3HD1 ILE 85 -0.850 5.119 1.507 650 H ALA 86 H ALA 86 -4.434 2.817 -2.808 651 HA ALA 86 HA ALA 86 -4.494 5.551 -3.730 652 1HB ALA 86 1HB ALA 86 -3.504 3.797 -5.104 653 2HB ALA 86 2HB ALA 86 -5.070 2.912 -5.106 654 3HB ALA 86 3HB ALA 86 -4.937 4.507 -5.925 655 H GLU 87 H GLU 87 -6.148 5.562 -1.780 656 HA GLU 87 HA GLU 87 -8.642 6.321 -2.881 657 1HB GLU 87 1HB GLU 87 -8.652 3.689 -2.758 658 2HB GLU 87 2HB GLU 87 -9.016 3.997 -1.071 659 1HG GLU 87 1HG GLU 87 -10.510 5.318 -3.318 660 2HG GLU 87 2HG GLU 87 -11.013 3.789 -2.627 661 H ASP 88 H ASP 88 -7.236 4.975 0.133 662 HA ASP 88 HA ASP 88 -8.773 6.556 1.914 663 1HB ASP 88 1HB ASP 88 -7.414 4.590 2.580 664 2HB ASP 88 2HB ASP 88 -5.963 5.522 2.268 665 H GLN 89 H GLN 89 -5.466 6.966 0.619 666 HA GLN 89 HA GLN 89 -5.027 9.503 1.751 667 1HB GLN 89 1HB GLN 89 -3.209 9.710 0.314 668 2HB GLN 89 2HB GLN 89 -3.351 7.993 0.629 669 1HG GLN 89 1HG GLN 89 -4.289 7.585 -1.528 670 2HG GLN 89 2HG GLN 89 -4.513 9.297 -1.826 671 1HE2 GLN 89 2HE2 GLN 89 -1.724 7.566 -0.427 672 2HE2 GLN 89 1HE2 GLN 89 -0.575 8.200 -1.583 673 H ILE 90 H ILE 90 -6.801 8.561 -1.149 674 HA ILE 90 HA ILE 90 -6.943 11.135 -2.331 675 HB ILE 90 HB ILE 90 -8.825 8.811 -2.542 676 1HG1 ILE 90 1HG1 ILE 90 -6.481 9.523 -4.286 677 2HG1 ILE 90 2HG1 ILE 90 -6.480 8.238 -3.095 678 1HG2 ILE 90 1HG2 ILE 90 -9.780 10.896 -3.356 679 2HG2 ILE 90 2HG2 ILE 90 -8.315 11.166 -4.363 680 3HG2 ILE 90 3HG2 ILE 90 -9.407 9.781 -4.716 681 1HD1 ILE 90 1HD1 ILE 90 -8.275 7.074 -4.317 682 2HD1 ILE 90 2HD1 ILE 90 -8.275 8.392 -5.539 683 3HD1 ILE 90 3HD1 ILE 90 -6.831 7.338 -5.354 684 H GLN 91 H GLN 91 -8.942 9.424 0.023 685 HA GLN 91 HA GLN 91 -10.858 11.584 0.194 686 1HB GLN 91 1HB GLN 91 -10.456 9.231 2.009 687 2HB GLN 91 2HB GLN 91 -11.862 10.275 1.951 688 1HG GLN 91 1HG GLN 91 -12.310 9.558 -0.348 689 2HG GLN 91 2HG GLN 91 -10.891 8.533 -0.312 690 1HE2 GLN 91 2HE2 GLN 91 -13.962 8.109 -0.510 691 2HE2 GLN 91 1HE2 GLN 91 -14.302 6.898 0.705 692 H GLN 92 H GLN 92 -7.990 10.556 1.954 693 HA GLN 92 HA GLN 92 -8.405 12.333 4.180 694 1HB GLN 92 1HB GLN 92 -6.919 10.071 3.800 695 2HB GLN 92 2HB GLN 92 -5.693 11.319 3.736 696 1HG GLN 92 1HG GLN 92 -7.573 11.771 5.901 697 2HG GLN 92 2HG GLN 92 -6.787 10.211 6.040 698 1HE2 GLN 92 2HE2 GLN 92 -5.965 13.618 5.236 699 2HE2 GLN 92 1HE2 GLN 92 -4.447 13.626 6.105 700 H GLY 93 H GLY 93 -5.881 12.170 1.695 701 1HA GLY 93 1HA GLY 93 -4.832 14.745 1.978 702 2HA GLY 93 2HA GLY 93 -4.772 13.763 0.527 703 H GLN 94 H GLN 94 -4.840 16.294 0.003 704 HA GLN 94 HA GLN 94 -7.553 17.296 -0.237 705 1HB GLN 94 1HB GLN 94 -4.924 18.387 -0.319 706 2HB GLN 94 2HB GLN 94 -5.786 18.867 -1.767 707 1HG GLN 94 1HG GLN 94 -7.540 19.856 -0.527 708 2HG GLN 94 2HG GLN 94 -7.060 19.044 0.950 709 1HE2 GLN 94 2HE2 GLN 94 -5.626 20.000 2.304 710 2HE2 GLN 94 1HE2 GLN 94 -4.788 21.495 1.954 711 H LEU 95 H LEU 95 -7.369 14.785 -1.524 712 HA LEU 95 HA LEU 95 -7.175 15.452 -4.384 713 1HB LEU 95 1HB LEU 95 -7.726 12.793 -3.167 714 2HB LEU 95 2HB LEU 95 -7.177 13.144 -4.793 715 HG LEU 95 HG LEU 95 -5.345 12.255 -3.692 716 1HD1 LEU 95 1HD1 LEU 95 -4.726 14.245 -4.973 717 2HD1 LEU 95 2HD1 LEU 95 -5.011 15.260 -3.517 718 3HD1 LEU 95 3HD1 LEU 95 -3.680 14.052 -3.524 719 1HD2 LEU 95 1HD2 LEU 95 -5.843 14.166 -1.419 720 2HD2 LEU 95 2HD2 LEU 95 -6.125 12.391 -1.402 721 3HD2 LEU 95 3HD2 LEU 95 -4.454 13.034 -1.563 722 H HIS 96 H HIS 96 -9.318 16.270 -2.359 723 HA HIS 96 HA HIS 96 -11.767 15.160 -3.419 724 1HB HIS 96 1HB HIS 96 -11.003 17.224 -1.425 725 2HB HIS 96 2HB HIS 96 -12.644 17.203 -2.040 726 HD1 HIS 96 1HD HIS 96 -14.243 15.673 -0.803 727 HD2 HIS 96 2HD HIS 96 -10.174 14.604 -0.411 728 HE1 HIS 96 1HE HIS 96 -14.166 13.702 0.856 729 HE2 HIS 96 2HE HIS 96 -11.690 13.072 1.078 730 H GLY 97 H GLY 97 -13.492 17.106 -3.886 731 1HA GLY 97 1HA GLY 97 -14.199 18.691 -5.406 732 2HA GLY 97 2HA GLY 97 -12.541 19.233 -5.565 733 H GLU 98 H GLU 98 -11.101 17.984 -6.985 734 HA GLU 98 HA GLU 98 -12.141 15.976 -8.743 735 1HB GLU 98 1HB GLU 98 -13.094 18.258 -9.541 736 2HB GLU 98 2HB GLU 98 -11.483 18.498 -10.185 737 1HG GLU 98 1HG GLU 98 -11.647 16.624 -11.603 738 2HG GLU 98 2HG GLU 98 -13.005 15.965 -10.716 739 H GLU 99 H GLU 99 -10.175 15.291 -7.448 740 HA GLU 99 HA GLU 99 -7.845 15.406 -9.147 741 1HB GLU 99 1HB GLU 99 -6.425 16.184 -7.080 742 2HB GLU 99 2HB GLU 99 -7.078 17.324 -8.239 743 1HG GLU 99 1HG GLU 99 -8.948 17.764 -6.755 744 2HG GLU 99 2HG GLU 99 -8.297 16.624 -5.595 745 H SER 100 H SER 100 -9.748 13.536 -7.983 746 HA SER 100 HA SER 100 -8.097 11.860 -6.235 747 1HB SER 100 1HB SER 100 -10.298 11.853 -5.511 748 2HB SER 100 2HB SER 100 -10.937 11.857 -7.143 749 HG SER 100 HG SER 100 -11.161 9.815 -6.118 750 H GLU 101 H GLU 101 -9.694 11.708 -9.422 751 HA GLU 101 HA GLU 101 -8.744 9.120 -10.103 752 1HB GLU 101 1HB GLU 101 -10.527 10.511 -11.257 753 2HB GLU 101 2HB GLU 101 -9.215 11.371 -12.037 754 1HG GLU 101 1HG GLU 101 -9.871 9.671 -13.561 755 2HG GLU 101 2HG GLU 101 -8.380 9.109 -12.834 756 H ARG 102 H ARG 102 -7.195 12.281 -10.168 757 HA ARG 102 HA ARG 102 -4.968 11.546 -11.793 758 1HB ARG 102 1HB ARG 102 -3.888 13.502 -10.912 759 2HB ARG 102 2HB ARG 102 -5.560 13.860 -11.290 760 1HG ARG 102 1HG ARG 102 -5.980 14.460 -9.193 761 2HG ARG 102 2HG ARG 102 -5.311 12.964 -8.573 762 1HD ARG 102 1HD ARG 102 -3.113 13.893 -8.543 763 2HD ARG 102 2HD ARG 102 -3.672 15.349 -9.343 764 HE ARG 102 HE ARG 102 -4.941 14.766 -6.789 765 1HH1 ARG 102 1HH2 ARG 102 -2.382 16.517 -8.399 766 2HH1 ARG 102 2HH2 ARG 102 -2.170 17.633 -7.070 767 1HH2 ARG 102 1HH1 ARG 102 -4.606 16.225 -5.094 768 2HH2 ARG 102 2HH1 ARG 102 -3.390 17.470 -5.261 769 H VAL 103 H VAL 103 -5.708 10.957 -8.453 770 HA VAL 103 HA VAL 103 -3.020 10.168 -7.720 771 HB VAL 103 HB VAL 103 -5.662 10.231 -6.356 772 1HG1 VAL 103 1HG1 VAL 103 -4.719 8.070 -5.720 773 2HG1 VAL 103 2HG1 VAL 103 -3.177 8.880 -5.275 774 3HG1 VAL 103 3HG1 VAL 103 -4.675 9.224 -4.343 775 1HG2 VAL 103 1HG2 VAL 103 -2.941 11.426 -5.730 776 2HG2 VAL 103 2HG2 VAL 103 -4.347 12.292 -6.441 777 3HG2 VAL 103 3HG2 VAL 103 -4.434 11.668 -4.757 778 H ALA 104 H ALA 104 -5.956 8.659 -8.979 779 HA ALA 104 HA ALA 104 -5.185 5.980 -8.376 780 1HB ALA 104 1HB ALA 104 -7.462 6.634 -8.977 781 2HB ALA 104 2HB ALA 104 -6.891 7.114 -10.613 782 3HB ALA 104 3HB ALA 104 -6.841 5.387 -10.113 783 H GLN 105 H GLN 105 -4.758 7.960 -11.321 784 HA GLN 105 HA GLN 105 -3.186 5.993 -12.684 785 1HB GLN 105 1HB GLN 105 -2.602 7.832 -14.212 786 2HB GLN 105 2HB GLN 105 -4.326 7.679 -13.945 787 1HG GLN 105 1HG GLN 105 -4.482 9.722 -13.069 788 2HG GLN 105 2HG GLN 105 -3.067 9.488 -12.063 789 1HE2 GLN 105 2HE2 GLN 105 -4.111 11.777 -13.778 790 2HE2 GLN 105 1HE2 GLN 105 -2.714 12.229 -14.728 791 H ARG 106 H ARG 106 -2.409 8.501 -10.378 792 HA ARG 106 HA ARG 106 0.315 8.884 -10.855 793 1HB ARG 106 1HB ARG 106 -1.515 9.712 -8.996 794 2HB ARG 106 2HB ARG 106 -0.407 8.746 -8.042 795 1HG ARG 106 1HG ARG 106 1.329 10.197 -8.340 796 2HG ARG 106 2HG ARG 106 0.821 10.635 -9.960 797 1HD ARG 106 1HD ARG 106 -0.946 11.475 -7.736 798 2HD ARG 106 2HD ARG 106 0.588 12.309 -7.885 799 HE ARG 106 HE ARG 106 -0.957 12.032 -10.355 800 1HH1 ARG 106 1HH2 ARG 106 -0.260 14.087 -7.607 801 2HH1 ARG 106 2HH2 ARG 106 -0.774 15.534 -8.446 802 1HH2 ARG 106 1HH1 ARG 106 -1.570 13.891 -11.389 803 2HH2 ARG 106 2HH1 ARG 106 -1.502 15.424 -10.547 804 H ALA 107 H ALA 107 -1.271 6.566 -8.651 805 HA ALA 107 HA ALA 107 1.011 5.281 -7.723 806 1HB ALA 107 1HB ALA 107 -1.237 4.870 -6.824 807 2HB ALA 107 2HB ALA 107 -1.684 4.052 -8.360 808 3HB ALA 107 3HB ALA 107 -0.428 3.334 -7.293 809 H GLY 108 H GLY 108 -0.758 4.845 -10.738 810 1HA GLY 108 1HA GLY 108 0.162 2.748 -12.061 811 2HA GLY 108 2HA GLY 108 0.102 4.336 -12.800 812 H GLU 109 H GLU 109 2.226 5.595 -11.465 813 HA GLU 109 HA GLU 109 4.565 4.763 -12.722 814 1HB GLU 109 1HB GLU 109 4.026 6.409 -10.291 815 2HB GLU 109 2HB GLU 109 5.675 6.031 -10.748 816 1HG GLU 109 1HG GLU 109 5.004 6.857 -13.093 817 2HG GLU 109 2HG GLU 109 3.615 7.568 -12.297 818 H ILE 110 H ILE 110 3.983 4.359 -9.226 819 HA ILE 110 HA ILE 110 6.053 2.417 -8.949 820 HB ILE 110 HB ILE 110 3.766 2.832 -7.077 821 1HG1 ILE 110 1HG1 ILE 110 4.516 5.034 -7.340 822 2HG1 ILE 110 2HG1 ILE 110 5.374 4.450 -5.929 823 1HG2 ILE 110 1HG2 ILE 110 5.178 0.896 -6.620 824 2HG2 ILE 110 2HG2 ILE 110 6.639 1.940 -6.694 825 3HG2 ILE 110 3HG2 ILE 110 5.437 2.168 -5.376 826 1HD1 ILE 110 1HD1 ILE 110 7.373 4.001 -7.301 827 2HD1 ILE 110 2HD1 ILE 110 6.492 4.600 -8.749 828 3HD1 ILE 110 3HD1 ILE 110 6.876 5.727 -7.402 829 H VAL 111 H VAL 111 2.725 2.198 -9.821 830 HA VAL 111 HA VAL 111 2.240 -0.508 -9.293 831 HB VAL 111 HB VAL 111 1.222 1.290 -11.426 832 1HG1 VAL 111 1HG1 VAL 111 0.925 -0.993 -12.203 833 2HG1 VAL 111 2HG1 VAL 111 0.155 -1.425 -10.637 834 3HG1 VAL 111 3HG1 VAL 111 -0.650 -0.260 -11.743 835 1HG2 VAL 111 1HG2 VAL 111 0.061 0.429 -8.766 836 2HG2 VAL 111 2HG2 VAL 111 0.716 2.052 -9.180 837 3HG2 VAL 111 3HG2 VAL 111 -0.777 1.453 -9.984 838 H SER 112 H SER 112 3.204 0.955 -12.425 839 HA SER 112 HA SER 112 3.824 -1.476 -13.677 840 1HB SER 112 1HB SER 112 3.968 1.190 -14.363 841 2HB SER 112 2HB SER 112 5.636 0.656 -14.436 842 HG SER 112 HG SER 112 4.500 0.255 -16.407 843 H SER 113 H SER 113 5.764 0.472 -11.459 844 HA SER 113 HA SER 113 8.209 -0.920 -11.837 845 1HB SER 113 1HB SER 113 7.051 0.776 -9.683 846 2HB SER 113 2HB SER 113 8.609 0.002 -9.474 847 HG SER 113 HG SER 113 8.786 2.069 -10.485 848 H CYS 114 H CYS 114 6.081 -1.142 -8.981 849 HA CYS 114 HA CYS 114 6.078 -4.029 -9.064 850 1HB CYS 114 1HB CYS 114 8.302 -3.202 -8.075 851 2HB CYS 114 2HB CYS 114 7.332 -2.821 -6.666 852 H GLY 115 H GLY 115 3.964 -2.507 -9.300 853 1HA GLY 115 1HA GLY 115 2.472 -2.871 -6.800 854 2HA GLY 115 2HA GLY 115 2.548 -1.244 -7.444 855 H VAL 116 H VAL 116 2.686 -3.768 -9.773 856 HA VAL 116 HA VAL 116 0.190 -3.046 -10.979 857 HB VAL 116 HB VAL 116 2.006 -3.535 -12.382 858 1HG1 VAL 116 1HG1 VAL 116 3.332 -4.964 -10.940 859 2HG1 VAL 116 2HG1 VAL 116 2.126 -6.285 -11.126 860 3HG1 VAL 116 3HG1 VAL 116 3.089 -5.740 -12.543 861 1HG2 VAL 116 1HG2 VAL 116 -0.045 -5.751 -12.576 862 2HG2 VAL 116 2HG2 VAL 116 -0.168 -4.105 -13.289 863 3HG2 VAL 116 3HG2 VAL 116 1.081 -5.252 -13.887 864 H ARG 117 H ARG 117 -0.919 -3.456 -8.896 865 HA ARG 117 HA ARG 117 -1.482 -6.314 -8.479 866 1HB ARG 117 1HB ARG 117 -2.328 -4.044 -6.759 867 2HB ARG 117 2HB ARG 117 -2.247 -5.746 -6.352 868 1HG ARG 117 1HG ARG 117 0.054 -3.877 -6.766 869 2HG ARG 117 2HG ARG 117 -0.468 -4.602 -5.259 870 1HD ARG 117 1HD ARG 117 0.858 -6.324 -5.633 871 2HD ARG 117 2HD ARG 117 -0.029 -6.686 -7.100 872 HE ARG 117 HE ARG 117 1.890 -4.583 -7.478 873 1HH1 ARG 117 1HH2 ARG 117 1.503 -8.074 -7.400 874 2HH1 ARG 117 2HH2 ARG 117 2.939 -8.333 -8.367 875 1HH2 ARG 117 1HH1 ARG 117 3.696 -4.980 -8.664 876 2HH2 ARG 117 2HH1 ARG 117 4.152 -6.620 -9.067 877 H CYS 118 H CYS 118 -3.461 -3.454 -7.962 878 HA CYS 118 HA CYS 118 -5.498 -4.588 -9.796 879 1HB CYS 118 1HB CYS 118 -5.739 -3.944 -7.083 880 2HB CYS 118 2HB CYS 118 -6.586 -2.690 -7.965 881 H MET 119 H MET 119 -3.207 -2.223 -9.452 882 HA MET 119 HA MET 119 -4.731 -0.055 -10.666 883 1HB MET 119 1HB MET 119 -2.393 -0.324 -9.189 884 2HB MET 119 2HB MET 119 -1.892 0.242 -10.770 885 1HG MET 119 1HG MET 119 -2.459 2.291 -10.165 886 2HG MET 119 2HG MET 119 -4.128 1.768 -10.067 887 1HE MET 119 1HE MET 119 -4.661 3.564 -8.352 888 2HE MET 119 2HE MET 119 -5.473 1.974 -8.144 889 3HE MET 119 3HE MET 119 -4.850 2.860 -6.709 890 H ARG 120 H ARG 120 -3.641 -2.870 -11.889 891 HA ARG 120 HA ARG 120 -3.719 -1.910 -14.609 892 1HB ARG 120 1HB ARG 120 -1.431 -1.462 -14.299 893 2HB ARG 120 2HB ARG 120 -1.179 -2.953 -13.415 894 1HG ARG 120 1HG ARG 120 -0.917 -4.167 -15.308 895 2HG ARG 120 2HG ARG 120 -2.252 -3.365 -16.111 896 1HD ARG 120 1HD ARG 120 0.246 -1.828 -15.729 897 2HD ARG 120 2HD ARG 120 0.241 -3.091 -16.943 898 HE ARG 120 HE ARG 120 -2.095 -1.400 -17.116 899 1HH1 ARG 120 1HH2 ARG 120 1.274 -1.609 -18.012 900 2HH1 ARG 120 2HH2 ARG 120 1.075 -0.560 -19.398 901 1HH2 ARG 120 1HH1 ARG 120 -2.318 -0.078 -18.906 902 2HH2 ARG 120 2HH1 ARG 120 -0.924 0.292 -19.895 903 H GLN 121 H GLN 121 -2.055 -4.779 -13.555 904 HA GLN 121 HA GLN 121 -4.183 -6.437 -14.754 905 1HB GLN 121 1HB GLN 121 -1.243 -6.524 -14.891 906 2HB GLN 121 2HB GLN 121 -2.039 -8.071 -14.683 907 1HG GLN 121 1HG GLN 121 -3.493 -6.642 -16.650 908 2HG GLN 121 2HG GLN 121 -1.795 -6.502 -17.060 909 1HE2 GLN 121 2HE2 GLN 121 -0.682 -8.275 -17.820 910 2HE2 GLN 121 1HE2 GLN 121 -1.423 -9.840 -18.069 911 H THR 122 H THR 122 -5.322 -7.462 -13.459 912 HA THR 122 HA THR 122 -4.782 -7.683 -10.658 913 HB THR 122 HB THR 122 -6.944 -8.645 -10.521 914 HG1 THR 122 1HG THR 122 -7.996 -9.373 -12.413 915 1HG2 THR 122 1HG2 THR 122 -7.010 -6.248 -11.207 916 2HG2 THR 122 2HG2 THR 122 -6.983 -6.770 -12.927 917 3HG2 THR 122 3HG2 THR 122 -8.390 -7.177 -11.885 918 H ARG 123 H ARG 123 -4.151 -9.410 -9.456 919 HA ARG 123 HA ARG 123 -4.003 -12.098 -10.296 920 1HB ARG 123 1HB ARG 123 -2.087 -10.698 -11.656 921 2HB ARG 123 2HB ARG 123 -1.207 -11.175 -10.217 922 1HG ARG 123 1HG ARG 123 -2.425 -13.506 -10.770 923 2HG ARG 123 2HG ARG 123 -2.319 -12.855 -12.393 924 1HD ARG 123 1HD ARG 123 0.150 -12.513 -10.897 925 2HD ARG 123 2HD ARG 123 -0.309 -14.197 -11.049 926 HE ARG 123 HE ARG 123 -0.495 -12.769 -13.552 927 1HH1 ARG 123 1HH2 ARG 123 1.767 -14.389 -11.423 928 2HH1 ARG 123 2HH2 ARG 123 2.863 -14.777 -12.730 929 1HH2 ARG 123 1HH1 ARG 123 0.925 -13.313 -15.186 930 2HH2 ARG 123 2HH1 ARG 123 2.397 -14.181 -14.813 931 H THR 124 H THR 124 -2.254 -13.294 -8.910 932 HA THR 124 HA THR 124 -1.881 -12.070 -6.281 933 HB THR 124 HB THR 124 -3.303 -13.520 -5.074 934 HG1 THR 124 1HG THR 124 -4.495 -15.174 -6.074 935 1HG2 THR 124 1HG2 THR 124 -4.651 -11.763 -6.223 936 2HG2 THR 124 2HG2 THR 124 -4.866 -12.879 -7.616 937 3HG2 THR 124 3HG2 THR 124 -5.577 -13.290 -6.016 938 H ASN 125 H ASN 125 0.207 -12.531 -5.936 939 HA ASN 125 HA ASN 125 1.554 -14.743 -7.155 940 1HB ASN 125 1HB ASN 125 2.141 -12.571 -5.272 941 2HB ASN 125 2HB ASN 125 3.105 -14.010 -5.014 942 1HD2 ASN 125 2HD2 ASN 125 4.934 -14.129 -6.134 943 2HD2 ASN 125 1HD2 ASN 125 5.239 -13.349 -7.670 Start of MODEL 20 1 1H ALA 1 1H ALA 1 -24.891 4.220 4.758 2 2H ALA 1 2H ALA 1 -23.905 4.795 5.957 3 3H ALA 1 3H ALA 1 -24.979 3.578 6.280 4 HA ALA 1 HA ALA 1 -26.806 5.028 5.857 5 1HB ALA 1 1HB ALA 1 -26.000 4.756 8.160 6 2HB ALA 1 2HB ALA 1 -24.807 6.075 7.890 7 3HB ALA 1 3HB ALA 1 -26.568 6.437 7.873 8 H GLU 2 H GLU 2 -23.802 6.918 6.184 9 HA GLU 2 HA GLU 2 -24.982 9.033 4.535 10 1HB GLU 2 1HB GLU 2 -23.039 10.334 5.133 11 2HB GLU 2 2HB GLU 2 -23.740 9.617 6.569 12 1HG GLU 2 1HG GLU 2 -21.787 7.828 5.465 13 2HG GLU 2 2HG GLU 2 -21.074 9.415 5.673 14 H PHE 3 H PHE 3 -23.505 10.091 2.893 15 HA PHE 3 HA PHE 3 -23.026 8.338 0.764 16 1HB PHE 3 1HB PHE 3 -22.285 10.228 -0.354 17 2HB PHE 3 2HB PHE 3 -23.362 10.876 0.866 18 HD1 PHE 3 1HD PHE 3 -22.603 12.471 2.467 19 HD2 PHE 3 2HD PHE 3 -19.764 10.323 0.038 20 HE1 PHE 3 1HE PHE 3 -20.771 13.938 3.292 21 HE2 PHE 3 2HE PHE 3 -17.913 11.688 0.986 22 HZ PHE 3 HZ PHE 3 -18.429 13.542 2.562 23 H MET 4 H MET 4 -21.366 7.099 0.127 24 HA MET 4 HA MET 4 -18.683 7.637 1.159 25 1HB MET 4 1HB MET 4 -20.170 5.989 2.657 26 2HB MET 4 2HB MET 4 -19.567 4.836 1.483 27 1HG MET 4 1HG MET 4 -17.275 5.475 1.990 28 2HG MET 4 2HG MET 4 -17.841 6.706 3.100 29 1HE MET 4 1HE MET 4 -15.747 4.879 4.232 30 2HE MET 4 2HE MET 4 -16.700 6.021 5.241 31 3HE MET 4 3HE MET 4 -16.486 4.317 5.771 32 H GLU 5 H GLU 5 -17.042 6.760 -0.067 33 HA GLU 5 HA GLU 5 -17.688 6.230 -2.780 34 1HB GLU 5 1HB GLU 5 -15.332 6.700 -1.267 35 2HB GLU 5 2HB GLU 5 -15.088 5.275 -2.257 36 1HG GLU 5 1HG GLU 5 -14.429 7.247 -3.504 37 2HG GLU 5 2HG GLU 5 -15.862 6.549 -4.230 38 H SER 6 H SER 6 -16.676 4.253 -3.938 39 HA SER 6 HA SER 6 -18.144 1.985 -3.359 40 1HB SER 6 1HB SER 6 -16.720 2.540 -5.427 41 2HB SER 6 2HB SER 6 -15.415 1.761 -4.555 42 HG SER 6 HG SER 6 -16.579 0.283 -5.893 43 H LYS 7 H LYS 7 -17.088 -0.257 -2.906 44 HA LYS 7 HA LYS 7 -16.532 -0.491 -0.237 45 1HB LYS 7 1HB LYS 7 -16.001 -2.193 -2.589 46 2HB LYS 7 2HB LYS 7 -15.243 -2.641 -1.075 47 1HG LYS 7 1HG LYS 7 -17.282 -3.763 -0.960 48 2HG LYS 7 2HG LYS 7 -17.610 -2.293 -0.066 49 1HD LYS 7 1HD LYS 7 -18.810 -1.341 -1.869 50 2HD LYS 7 2HD LYS 7 -18.204 -2.533 -3.001 51 1HE LYS 7 1HE LYS 7 -19.698 -3.609 -0.695 52 2HE LYS 7 2HE LYS 7 -20.642 -2.687 -1.847 53 1HZ LYS 7 1HZ LYS 7 -19.809 -4.095 -3.584 54 2HZ LYS 7 2HZ LYS 7 -18.916 -4.966 -2.496 55 3HZ LYS 7 3HZ LYS 7 -20.570 -4.999 -2.424 56 H GLY 8 H GLY 8 -15.098 0.514 0.961 57 1HA GLY 8 1HA GLY 8 -12.273 0.272 0.478 58 2HA GLY 8 2HA GLY 8 -12.862 1.878 0.096 59 H GLU 9 H GLU 9 -13.580 -0.548 2.628 60 HA GLU 9 HA GLU 9 -12.499 1.197 4.693 61 1HB GLU 9 1HB GLU 9 -14.894 2.012 4.131 62 2HB GLU 9 2HB GLU 9 -15.413 0.552 4.950 63 1HG GLU 9 1HG GLU 9 -13.382 1.962 6.464 64 2HG GLU 9 2HG GLU 9 -14.772 2.982 6.151 65 H ARG 10 H ARG 10 -14.509 -1.614 3.886 66 HA ARG 10 HA ARG 10 -12.852 -3.344 5.505 67 1HB ARG 10 1HB ARG 10 -14.832 -2.166 6.923 68 2HB ARG 10 2HB ARG 10 -15.681 -3.567 6.301 69 1HG ARG 10 1HG ARG 10 -13.737 -4.966 7.140 70 2HG ARG 10 2HG ARG 10 -13.173 -3.531 7.973 71 1HD ARG 10 1HD ARG 10 -15.963 -4.588 8.346 72 2HD ARG 10 2HD ARG 10 -14.622 -5.160 9.319 73 HE ARG 10 HE ARG 10 -14.431 -2.452 9.589 74 1HH1 ARG 10 1HH2 ARG 10 -17.046 -4.723 10.086 75 2HH1 ARG 10 2HH2 ARG 10 -17.805 -3.740 11.318 76 1HH2 ARG 10 1HH1 ARG 10 -15.435 -1.208 11.164 77 2HH2 ARG 10 2HH1 ARG 10 -16.906 -1.779 11.917 78 H GLU 11 H GLU 11 -15.929 -2.913 3.785 79 HA GLU 11 HA GLU 11 -16.280 -5.632 3.114 80 1HB GLU 11 1HB GLU 11 -17.438 -3.077 2.352 81 2HB GLU 11 2HB GLU 11 -17.444 -4.253 1.052 82 1HG GLU 11 1HG GLU 11 -18.235 -5.506 3.514 83 2HG GLU 11 2HG GLU 11 -19.229 -4.094 3.218 84 H GLY 12 H GLY 12 -15.833 -6.827 1.272 85 1HA GLY 12 1HA GLY 12 -14.855 -6.706 -1.036 86 2HA GLY 12 2HA GLY 12 -13.560 -5.770 -0.318 87 H SER 13 H SER 13 -12.183 -7.422 -1.266 88 HA SER 13 HA SER 13 -12.262 -10.076 -0.082 89 1HB SER 13 1HB SER 13 -10.578 -8.728 -2.122 90 2HB SER 13 2HB SER 13 -9.971 -10.174 -1.343 91 HG SER 13 HG SER 13 -11.163 -10.644 -3.254 92 H SER 14 H SER 14 -12.166 -8.375 2.002 93 HA SER 14 HA SER 14 -9.759 -9.183 3.327 94 1HB SER 14 1HB SER 14 -9.013 -6.863 3.871 95 2HB SER 14 2HB SER 14 -8.726 -7.362 2.216 96 HG SER 14 HG SER 14 -9.691 -5.282 2.351 97 H SER 15 H SER 15 -10.591 -9.811 5.190 98 HA SER 15 HA SER 15 -12.082 -7.888 6.789 99 1HB SER 15 1HB SER 15 -13.438 -9.967 5.331 100 2HB SER 15 2HB SER 15 -13.633 -10.182 7.058 101 HG SER 15 HG SER 15 -15.237 -8.806 6.160 102 H GLN 16 H GLN 16 -10.837 -11.187 6.381 103 HA GLN 16 HA GLN 16 -10.891 -12.161 8.933 104 1HB GLN 16 1HB GLN 16 -10.024 -13.483 7.127 105 2HB GLN 16 2HB GLN 16 -8.688 -12.374 6.891 106 1HG GLN 16 1HG GLN 16 -7.476 -13.342 8.524 107 2HG GLN 16 2HG GLN 16 -8.833 -13.333 9.632 108 1HE2 GLN 16 2HE2 GLN 16 -9.232 -15.275 10.397 109 2HE2 GLN 16 1HE2 GLN 16 -9.196 -16.762 9.476 110 H GLN 17 H GLN 17 -7.735 -11.018 7.864 111 HA GLN 17 HA GLN 17 -7.566 -9.014 9.945 112 1HB GLN 17 1HB GLN 17 -7.066 -11.484 10.852 113 2HB GLN 17 2HB GLN 17 -5.473 -11.064 10.257 114 1HG GLN 17 1HG GLN 17 -5.438 -9.059 11.608 115 2HG GLN 17 2HG GLN 17 -7.101 -9.315 12.100 116 1HE2 GLN 17 2HE2 GLN 17 -6.061 -9.071 14.265 117 2HE2 GLN 17 1HE2 GLN 17 -5.422 -10.513 15.021 118 H CYS 18 H CYS 18 -7.253 -9.528 6.968 119 HA CYS 18 HA CYS 18 -4.449 -9.045 6.441 120 1HB CYS 18 1HB CYS 18 -6.440 -10.048 4.945 121 2HB CYS 18 2HB CYS 18 -6.441 -8.378 4.412 122 H ARG 19 H ARG 19 -7.511 -7.105 6.254 123 HA ARG 19 HA ARG 19 -6.572 -4.707 5.399 124 1HB ARG 19 1HB ARG 19 -8.819 -5.592 6.709 125 2HB ARG 19 2HB ARG 19 -8.148 -4.438 7.842 126 1HG ARG 19 1HG ARG 19 -8.651 -2.678 6.524 127 2HG ARG 19 2HG ARG 19 -8.134 -3.507 5.069 128 1HD ARG 19 1HD ARG 19 -10.284 -4.830 5.188 129 2HD ARG 19 2HD ARG 19 -10.798 -3.740 6.460 130 HE ARG 19 HE ARG 19 -11.329 -2.189 4.850 131 1HH1 ARG 19 1HH2 ARG 19 -8.878 -4.297 3.527 132 2HH1 ARG 19 2HH2 ARG 19 -8.940 -3.546 1.948 133 1HH2 ARG 19 1HH1 ARG 19 -11.394 -1.271 2.797 134 2HH2 ARG 19 2HH1 ARG 19 -10.331 -1.871 1.543 135 H GLN 20 H GLN 20 -5.974 -6.136 8.590 136 HA GLN 20 HA GLN 20 -4.617 -3.856 9.634 137 1HB GLN 20 1HB GLN 20 -5.683 -5.741 10.935 138 2HB GLN 20 2HB GLN 20 -4.316 -6.733 10.466 139 1HG GLN 20 1HG GLN 20 -3.178 -4.363 11.400 140 2HG GLN 20 2HG GLN 20 -4.481 -4.694 12.522 141 1HE2 GLN 20 2HE2 GLN 20 -1.856 -6.399 10.788 142 2HE2 GLN 20 1HE2 GLN 20 -1.400 -7.426 12.129 143 H GLU 21 H GLU 21 -3.264 -7.060 8.677 144 HA GLU 21 HA GLU 21 -0.620 -6.179 8.569 145 1HB GLU 21 1HB GLU 21 -2.130 -8.440 7.454 146 2HB GLU 21 2HB GLU 21 -0.541 -8.125 6.787 147 1HG GLU 21 1HG GLU 21 -0.310 -7.906 9.594 148 2HG GLU 21 2HG GLU 21 -1.222 -9.367 9.273 149 H VAL 22 H VAL 22 -3.081 -5.823 6.145 150 HA VAL 22 HA VAL 22 -1.519 -5.237 3.907 151 HB VAL 22 HB VAL 22 -4.295 -4.369 4.641 152 1HG1 VAL 22 1HG1 VAL 22 -3.338 -2.876 2.961 153 2HG1 VAL 22 2HG1 VAL 22 -2.869 -4.300 1.968 154 3HG1 VAL 22 3HG1 VAL 22 -4.607 -3.924 2.237 155 1HG2 VAL 22 1HG2 VAL 22 -3.312 -6.645 2.900 156 2HG2 VAL 22 2HG2 VAL 22 -4.057 -6.800 4.528 157 3HG2 VAL 22 3HG2 VAL 22 -5.031 -6.181 3.150 158 H GLN 23 H GLN 23 -2.894 -3.244 6.501 159 HA GLN 23 HA GLN 23 -1.700 -0.860 5.405 160 1HB GLN 23 1HB GLN 23 -2.650 0.279 7.291 161 2HB GLN 23 2HB GLN 23 -3.839 -0.782 6.562 162 1HG GLN 23 1HG GLN 23 -3.864 -2.201 8.330 163 2HG GLN 23 2HG GLN 23 -2.220 -1.816 8.800 164 1HE2 GLN 23 2HE2 GLN 23 -2.888 -1.649 10.961 165 2HE2 GLN 23 1HE2 GLN 23 -3.719 -0.216 11.522 166 H ARG 24 H ARG 24 0.270 -2.775 5.746 167 HA ARG 24 HA ARG 24 2.049 -1.370 7.574 168 1HB ARG 24 1HB ARG 24 1.457 -4.292 7.900 169 2HB ARG 24 2HB ARG 24 2.702 -3.400 8.751 170 1HG ARG 24 1HG ARG 24 0.855 -1.946 9.658 171 2HG ARG 24 2HG ARG 24 -0.266 -3.130 9.016 172 1HD ARG 24 1HD ARG 24 1.678 -3.396 11.251 173 2HD ARG 24 2HD ARG 24 -0.021 -3.818 11.202 174 HE ARG 24 HE ARG 24 0.980 -5.558 9.411 175 1HH1 ARG 24 1HH2 ARG 24 2.051 -4.720 12.638 176 2HH1 ARG 24 2HH2 ARG 24 2.804 -6.280 12.889 177 1HH2 ARG 24 1HH1 ARG 24 1.981 -7.503 9.761 178 2HH2 ARG 24 2HH1 ARG 24 2.765 -7.824 11.292 179 H LYS 25 H LYS 25 1.483 -4.023 5.317 180 HA LYS 25 HA LYS 25 4.248 -3.674 4.333 181 1HB LYS 25 1HB LYS 25 3.798 -6.199 3.647 182 2HB LYS 25 2HB LYS 25 4.588 -5.724 5.138 183 1HG LYS 25 1HG LYS 25 1.628 -6.067 5.083 184 2HG LYS 25 2HG LYS 25 2.669 -7.473 5.197 185 1HD LYS 25 1HD LYS 25 3.115 -5.149 7.020 186 2HD LYS 25 2HD LYS 25 1.844 -6.299 7.379 187 1HE LYS 25 1HE LYS 25 3.320 -8.013 7.767 188 2HE LYS 25 2HE LYS 25 4.567 -7.305 6.762 189 1HZ LYS 25 1HZ LYS 25 4.885 -5.624 8.423 190 2HZ LYS 25 2HZ LYS 25 3.706 -6.293 9.373 191 3HZ LYS 25 3HZ LYS 25 5.104 -7.130 9.076 192 H ASP 26 H ASP 26 1.215 -5.281 3.403 193 HA ASP 26 HA ASP 26 1.382 -5.206 0.670 194 1HB ASP 26 1HB ASP 26 -1.029 -4.346 2.246 195 2HB ASP 26 2HB ASP 26 -1.029 -4.919 0.590 196 H LEU 27 H LEU 27 0.807 -3.685 -0.993 197 HA LEU 27 HA LEU 27 1.774 -1.446 -1.441 198 1HB LEU 27 1HB LEU 27 -1.160 -1.855 -1.544 199 2HB LEU 27 2HB LEU 27 -0.408 -0.404 -2.175 200 HG LEU 27 HG LEU 27 -0.558 -1.625 -4.036 201 1HD1 LEU 27 1HD1 LEU 27 1.747 -1.042 -3.795 202 2HD1 LEU 27 2HD1 LEU 27 2.053 -2.579 -2.913 203 3HD1 LEU 27 3HD1 LEU 27 1.576 -2.617 -4.645 204 1HD2 LEU 27 1HD2 LEU 27 -0.015 -4.137 -2.481 205 2HD2 LEU 27 2HD2 LEU 27 -1.605 -3.566 -3.097 206 3HD2 LEU 27 3HD2 LEU 27 -0.312 -4.041 -4.252 207 H SER 28 H SER 28 2.787 -0.440 0.271 208 HA SER 28 HA SER 28 1.090 1.353 1.843 209 1HB SER 28 1HB SER 28 2.258 0.742 3.976 210 2HB SER 28 2HB SER 28 0.997 -0.345 3.427 211 HG SER 28 HG SER 28 2.850 -1.428 4.113 212 H SER 29 H SER 29 2.750 1.832 -0.269 213 HA SER 29 HA SER 29 4.407 3.870 0.769 214 1HB SER 29 1HB SER 29 5.865 1.978 1.400 215 2HB SER 29 2HB SER 29 5.869 1.455 -0.273 216 HG SER 29 HG SER 29 7.717 2.681 0.267 217 H CYS 30 H CYS 30 3.476 1.670 -1.862 218 HA CYS 30 HA CYS 30 4.672 3.091 -3.974 219 1HB CYS 30 1HB CYS 30 2.044 1.655 -4.009 220 2HB CYS 30 2HB CYS 30 3.093 1.970 -5.376 221 H GLU 31 H GLU 31 1.285 3.235 -2.815 222 HA GLU 31 HA GLU 31 0.771 5.667 -4.273 223 1HB GLU 31 1HB GLU 31 -0.794 3.765 -3.030 224 2HB GLU 31 2HB GLU 31 -0.986 5.176 -2.009 225 1HG GLU 31 1HG GLU 31 -1.220 5.391 -4.963 226 2HG GLU 31 2HG GLU 31 -2.574 4.838 -3.999 227 H ARG 32 H ARG 32 1.611 4.880 -0.901 228 HA ARG 32 HA ARG 32 1.279 7.452 0.189 229 1HB ARG 32 1HB ARG 32 1.825 5.211 1.343 230 2HB ARG 32 2HB ARG 32 3.495 5.629 1.018 231 1HG ARG 32 1HG ARG 32 3.272 7.695 2.263 232 2HG ARG 32 2HG ARG 32 1.555 7.422 2.477 233 1HD ARG 32 1HD ARG 32 3.566 5.426 3.464 234 2HD ARG 32 2HD ARG 32 3.131 6.819 4.435 235 HE ARG 32 HE ARG 32 0.754 5.526 3.573 236 1HH1 ARG 32 1HH2 ARG 32 3.418 5.039 5.798 237 2HH1 ARG 32 2HH2 ARG 32 2.469 4.034 6.870 238 1HH2 ARG 32 1HH1 ARG 32 -0.420 4.232 4.963 239 2HH2 ARG 32 2HH1 ARG 32 0.329 3.585 6.405 240 H TYR 33 H TYR 33 4.078 6.002 -1.407 241 HA TYR 33 HA TYR 33 6.041 7.867 -1.075 242 1HB TYR 33 1HB TYR 33 6.632 5.968 -2.245 243 2HB TYR 33 2HB TYR 33 5.216 6.044 -3.274 244 HD1 TYR 33 1HD TYR 33 5.148 7.595 -5.225 245 HD2 TYR 33 2HD TYR 33 8.671 6.984 -2.831 246 HE1 TYR 33 1HE TYR 33 6.519 8.734 -6.967 247 HE2 TYR 33 2HE TYR 33 10.060 8.027 -4.608 248 HH TYR 33 HH TYR 33 10.068 9.010 -6.589 249 H LEU 34 H LEU 34 3.428 7.851 -3.505 250 HA LEU 34 HA LEU 34 4.279 10.375 -4.606 251 1HB LEU 34 1HB LEU 34 2.752 9.992 -6.215 252 2HB LEU 34 2HB LEU 34 2.914 8.355 -5.611 253 HG LEU 34 HG LEU 34 0.906 9.129 -4.076 254 1HD1 LEU 34 1HD1 LEU 34 0.812 11.424 -4.889 255 2HD1 LEU 34 2HD1 LEU 34 0.558 10.820 -6.564 256 3HD1 LEU 34 3HD1 LEU 34 -0.696 10.538 -5.306 257 1HD2 LEU 34 1HD2 LEU 34 0.641 8.225 -6.943 258 2HD2 LEU 34 2HD2 LEU 34 0.918 7.178 -5.508 259 3HD2 LEU 34 3HD2 LEU 34 -0.628 8.079 -5.678 260 H ARG 35 H ARG 35 2.171 9.317 -2.042 261 HA ARG 35 HA ARG 35 0.722 11.748 -1.733 262 1HB ARG 35 1HB ARG 35 0.369 9.297 -0.761 263 2HB ARG 35 2HB ARG 35 1.220 9.997 0.601 264 1HG ARG 35 1HG ARG 35 -0.647 11.932 -0.194 265 2HG ARG 35 2HG ARG 35 -1.507 10.406 -0.238 266 1HD ARG 35 1HD ARG 35 0.166 11.193 2.123 267 2HD ARG 35 2HD ARG 35 -1.504 11.701 1.974 268 HE ARG 35 HE ARG 35 -1.477 8.930 1.558 269 1HH1 ARG 35 1HH2 ARG 35 -0.658 11.126 4.159 270 2HH1 ARG 35 2HH2 ARG 35 -1.037 9.955 5.402 271 1HH2 ARG 35 1HH1 ARG 35 -1.962 7.456 3.175 272 2HH2 ARG 35 2HH1 ARG 35 -1.765 7.908 4.853 273 H GLN 36 H GLN 36 3.656 10.423 -0.224 274 HA GLN 36 HA GLN 36 4.054 12.773 1.392 275 1HB GLN 36 1HB GLN 36 4.989 10.110 1.363 276 2HB GLN 36 2HB GLN 36 6.388 11.153 1.223 277 1HG GLN 36 1HG GLN 36 6.131 11.997 3.311 278 2HG GLN 36 2HG GLN 36 4.384 12.018 3.194 279 1HE2 GLN 36 2HE2 GLN 36 4.475 11.254 5.428 280 2HE2 GLN 36 1HE2 GLN 36 4.672 9.542 5.723 281 H SER 37 H SER 37 6.777 13.142 1.262 282 HA SER 37 HA SER 37 6.955 14.728 -1.182 283 1HB SER 37 1HB SER 37 7.991 14.890 1.453 284 2HB SER 37 2HB SER 37 9.351 14.804 0.351 285 HG SER 37 HG SER 37 8.633 16.952 0.688 286 H SER 38 H SER 38 8.693 12.044 0.388 287 HA SER 38 HA SER 38 9.353 10.809 -2.096 288 1HB SER 38 1HB SER 38 11.754 11.144 -2.099 289 2HB SER 38 2HB SER 38 10.927 12.682 -2.249 290 HG SER 38 HG SER 38 12.672 12.766 -0.762 291 H SER 39 H SER 39 9.240 8.733 -1.558 292 HA SER 39 HA SER 39 9.204 7.472 0.785 293 1HB SER 39 1HB SER 39 10.314 6.652 -1.801 294 2HB SER 39 2HB SER 39 10.822 5.700 -0.420 295 HG SER 39 HG SER 39 8.867 4.920 -1.351 296 H ARG 40 H ARG 40 10.296 7.223 2.566 297 HA ARG 40 HA ARG 40 13.150 6.971 2.645 298 1HB ARG 40 1HB ARG 40 12.423 9.576 2.428 299 2HB ARG 40 2HB ARG 40 12.399 9.377 4.168 300 1HG ARG 40 1HG ARG 40 14.620 9.693 4.102 301 2HG ARG 40 2HG ARG 40 14.721 8.088 3.405 302 1HD ARG 40 1HD ARG 40 14.514 9.096 1.143 303 2HD ARG 40 2HD ARG 40 14.523 10.686 1.879 304 HE ARG 40 HE ARG 40 16.805 9.010 1.366 305 1HH1 ARG 40 1HH2 ARG 40 15.574 11.404 3.609 306 2HH1 ARG 40 2HH2 ARG 40 17.174 11.897 4.117 307 1HH2 ARG 40 1HH1 ARG 40 18.836 9.661 2.047 308 2HH2 ARG 40 2HH1 ARG 40 18.992 10.926 3.246 309 H ARG 41 H ARG 41 10.547 8.343 4.668 310 HA ARG 41 HA ARG 41 11.322 7.369 7.129 311 1HB ARG 41 1HB ARG 41 8.611 7.808 5.944 312 2HB ARG 41 2HB ARG 41 8.801 7.239 7.590 313 1HG ARG 41 1HG ARG 41 10.520 9.499 7.053 314 2HG ARG 41 2HG ARG 41 8.840 9.885 6.738 315 1HD ARG 41 1HD ARG 41 8.646 10.232 8.954 316 2HD ARG 41 2HD ARG 41 8.738 8.491 9.128 317 HE ARG 41 HE ARG 41 10.832 8.724 10.068 318 1HH1 ARG 41 1HH2 ARG 41 10.114 11.613 8.220 319 2HH1 ARG 41 2HH2 ARG 41 11.580 12.426 8.722 320 1HH2 ARG 41 1HH1 ARG 41 12.705 9.794 10.687 321 2HH2 ARG 41 2HH1 ARG 41 13.024 11.410 10.098 322 H SER 42 H SER 42 11.855 5.423 7.775 323 HA SER 42 HA SER 42 10.094 3.202 7.521 324 1HB SER 42 1HB SER 42 11.276 1.785 6.047 325 2HB SER 42 2HB SER 42 11.052 3.305 5.206 326 HG SER 42 HG SER 42 13.171 2.487 4.986 327 H THR 43 H THR 43 12.267 1.257 7.557 328 HA THR 43 HA THR 43 12.970 1.511 10.352 329 HB THR 43 HB THR 43 13.792 -0.736 8.561 330 HG1 THR 43 1HG THR 43 11.647 -1.526 8.933 331 1HG2 THR 43 1HG2 THR 43 14.387 -0.757 11.002 332 2HG2 THR 43 2HG2 THR 43 12.639 -0.576 11.378 333 3HG2 THR 43 3HG2 THR 43 13.233 -2.062 10.559 334 H GLY 44 H GLY 44 14.979 1.673 11.247 335 1HA GLY 44 1HA GLY 44 16.897 3.163 9.711 336 2HA GLY 44 2HA GLY 44 17.071 2.625 11.369 337 H GLU 45 H GLU 45 18.630 1.237 11.749 338 HA GLU 45 HA GLU 45 20.120 0.004 9.653 339 1HB GLU 45 1HB GLU 45 20.101 -0.179 12.622 340 2HB GLU 45 2HB GLU 45 20.947 -1.416 11.715 341 1HG GLU 45 1HG GLU 45 22.421 0.149 10.741 342 2HG GLU 45 2HG GLU 45 21.402 1.504 11.179 343 H GLU 46 H GLU 46 17.109 -0.806 10.981 344 HA GLU 46 HA GLU 46 17.400 -3.635 10.271 345 1HB GLU 46 1HB GLU 46 16.229 -2.430 12.437 346 2HB GLU 46 2HB GLU 46 14.868 -2.858 11.419 347 1HG GLU 46 1HG GLU 46 15.668 -5.156 11.290 348 2HG GLU 46 2HG GLU 46 17.062 -4.738 12.265 349 H VAL 47 H VAL 47 17.570 -2.288 8.034 350 HA VAL 47 HA VAL 47 14.932 -2.716 6.797 351 HB VAL 47 HB VAL 47 15.476 -0.261 7.443 352 1HG1 VAL 47 1HG1 VAL 47 17.666 -0.106 6.401 353 2HG1 VAL 47 2HG1 VAL 47 16.936 -0.506 4.807 354 3HG1 VAL 47 3HG1 VAL 47 16.508 1.033 5.630 355 1HG2 VAL 47 1HG2 VAL 47 14.355 -1.078 4.752 356 2HG2 VAL 47 2HG2 VAL 47 13.458 -0.984 6.308 357 3HG2 VAL 47 3HG2 VAL 47 14.098 0.514 5.547 358 H LEU 48 H LEU 48 17.404 -4.237 6.947 359 HA LEU 48 HA LEU 48 18.037 -4.261 4.067 360 1HB LEU 48 1HB LEU 48 20.316 -4.617 4.449 361 2HB LEU 48 2HB LEU 48 19.840 -3.237 5.417 362 HG LEU 48 HG LEU 48 19.735 -5.797 6.817 363 1HD1 LEU 48 1HD1 LEU 48 21.710 -6.229 5.448 364 2HD1 LEU 48 2HD1 LEU 48 22.402 -4.650 5.956 365 3HD1 LEU 48 3HD1 LEU 48 22.164 -5.959 7.166 366 1HD2 LEU 48 1HD2 LEU 48 20.974 -3.116 7.433 367 2HD2 LEU 48 2HD2 LEU 48 19.338 -3.676 7.927 368 3HD2 LEU 48 3HD2 LEU 48 20.802 -4.484 8.588 369 H ARG 49 H ARG 49 15.976 -5.667 5.357 370 HA ARG 49 HA ARG 49 17.024 -8.426 5.387 371 1HB ARG 49 1HB ARG 49 15.285 -7.103 7.125 372 2HB ARG 49 2HB ARG 49 14.298 -8.245 6.235 373 1HG ARG 49 1HG ARG 49 15.083 -9.525 8.024 374 2HG ARG 49 2HG ARG 49 16.203 -9.928 6.736 375 1HD ARG 49 1HD ARG 49 17.507 -7.831 7.765 376 2HD ARG 49 2HD ARG 49 16.656 -8.346 9.207 377 HE ARG 49 HE ARG 49 18.850 -9.717 7.880 378 1HH1 ARG 49 1HH2 ARG 49 16.098 -10.140 10.014 379 2HH1 ARG 49 2HH2 ARG 49 16.743 -11.607 10.716 380 1HH2 ARG 49 1HH1 ARG 49 19.636 -11.601 8.802 381 2HH2 ARG 49 2HH1 ARG 49 18.712 -12.421 10.041 382 H MET 50 H MET 50 16.582 -6.933 2.944 383 HA MET 50 HA MET 50 15.362 -8.734 1.273 384 1HB MET 50 1HB MET 50 13.379 -7.457 2.850 385 2HB MET 50 2HB MET 50 13.222 -6.869 1.206 386 1HG MET 50 1HG MET 50 12.430 -8.816 0.474 387 2HG MET 50 2HG MET 50 13.639 -9.733 1.351 388 1HE MET 50 1HE MET 50 11.891 -11.649 1.782 389 2HE MET 50 2HE MET 50 13.069 -11.320 3.100 390 3HE MET 50 3HE MET 50 11.346 -11.649 3.495 391 HA PRO 51 HA PRO 51 15.466 -4.560 -0.871 392 1HB PRO 51 1HB PRO 51 15.827 -2.250 0.606 393 2HB PRO 51 2HB PRO 51 14.281 -2.869 0.060 394 1HG PRO 51 1HG PRO 51 15.434 -2.904 2.752 395 2HG PRO 51 2HG PRO 51 13.767 -3.132 2.264 396 1HD PRO 51 1HD PRO 51 15.614 -5.133 3.044 397 2HD PRO 51 2HD PRO 51 13.986 -5.368 2.443 398 H GLY 52 H GLY 52 17.399 -5.574 -1.498 399 1HA GLY 52 1HA GLY 52 19.760 -3.950 -0.945 400 2HA GLY 52 2HA GLY 52 19.857 -5.605 -0.378 401 H ASP 53 H ASP 53 19.899 -7.320 -1.854 402 HA ASP 53 HA ASP 53 21.142 -6.633 -4.376 403 1HB ASP 53 1HB ASP 53 20.262 -9.246 -3.170 404 2HB ASP 53 2HB ASP 53 21.035 -9.124 -4.738 405 H GLU 54 H GLU 54 18.416 -8.824 -3.667 406 HA GLU 54 HA GLU 54 17.298 -8.713 -6.237 407 1HB GLU 54 1HB GLU 54 16.538 -9.766 -3.634 408 2HB GLU 54 2HB GLU 54 15.160 -9.230 -4.574 409 1HG GLU 54 1HG GLU 54 17.294 -11.150 -5.506 410 2HG GLU 54 2HG GLU 54 15.661 -11.583 -5.039 411 H ASN 55 H ASN 55 14.794 -8.040 -6.357 412 HA ASN 55 HA ASN 55 13.415 -6.259 -6.721 413 1HB ASN 55 1HB ASN 55 14.642 -5.146 -4.211 414 2HB ASN 55 2HB ASN 55 13.120 -4.658 -4.928 415 1HD2 ASN 55 2HD2 ASN 55 14.301 -6.247 -2.426 416 2HD2 ASN 55 1HD2 ASN 55 13.074 -7.475 -2.204 417 H GLN 56 H GLN 56 13.312 -3.916 -7.248 418 HA GLN 56 HA GLN 56 15.220 -3.116 -9.034 419 1HB GLN 56 1HB GLN 56 12.996 -1.944 -7.801 420 2HB GLN 56 2HB GLN 56 14.306 -0.793 -7.635 421 1HG GLN 56 1HG GLN 56 14.548 -0.531 -9.914 422 2HG GLN 56 2HG GLN 56 13.904 -2.121 -10.269 423 1HE2 GLN 56 2HE2 GLN 56 13.220 0.500 -11.416 424 2HE2 GLN 56 1HE2 GLN 56 11.507 0.721 -11.139 425 H GLN 57 H GLN 57 17.253 -2.470 -9.050 426 HA GLN 57 HA GLN 57 18.381 -1.070 -6.781 427 1HB GLN 57 1HB GLN 57 18.501 -3.514 -6.149 428 2HB GLN 57 2HB GLN 57 19.621 -3.712 -7.481 429 1HG GLN 57 1HG GLN 57 20.127 -1.498 -5.562 430 2HG GLN 57 2HG GLN 57 20.468 -3.132 -5.028 431 1HE2 GLN 57 2HE2 GLN 57 22.085 -4.367 -6.082 432 2HE2 GLN 57 1HE2 GLN 57 23.312 -3.593 -7.059 433 H GLN 58 H GLN 58 18.630 0.538 -8.359 434 HA GLN 58 HA GLN 58 21.186 0.394 -9.666 435 1HB GLN 58 1HB GLN 58 19.106 -0.649 -11.156 436 2HB GLN 58 2HB GLN 58 19.232 1.000 -11.737 437 1HG GLN 58 1HG GLN 58 21.861 0.201 -11.564 438 2HG GLN 58 2HG GLN 58 21.048 -1.248 -12.116 439 1HE2 GLN 58 2HE2 GLN 58 22.954 0.519 -13.504 440 2HE2 GLN 58 1HE2 GLN 58 22.135 1.046 -14.957 441 H GLU 59 H GLU 59 18.029 2.033 -10.009 442 HA GLU 59 HA GLU 59 19.127 4.500 -8.982 443 1HB GLU 59 1HB GLU 59 18.730 5.852 -10.967 444 2HB GLU 59 2HB GLU 59 19.973 4.649 -11.244 445 1HG GLU 59 1HG GLU 59 18.736 3.540 -12.792 446 2HG GLU 59 2HG GLU 59 17.235 3.798 -11.923 447 H SER 60 H SER 60 17.201 3.064 -7.858 448 HA SER 60 HA SER 60 14.967 4.846 -7.874 449 1HB SER 60 1HB SER 60 13.242 3.254 -8.616 450 2HB SER 60 2HB SER 60 14.337 3.697 -9.910 451 HG SER 60 HG SER 60 13.944 1.440 -9.831 452 H GLN 61 H GLN 61 16.569 4.284 -5.860 453 HA GLN 61 HA GLN 61 15.876 1.998 -4.316 454 1HB GLN 61 1HB GLN 61 16.913 3.155 -2.459 455 2HB GLN 61 2HB GLN 61 17.876 3.358 -3.908 456 1HG GLN 61 1HG GLN 61 16.368 5.544 -4.127 457 2HG GLN 61 2HG GLN 61 16.303 5.358 -2.386 458 1HE2 GLN 61 2HE2 GLN 61 17.455 7.562 -3.679 459 2HE2 GLN 61 1HE2 GLN 61 19.175 7.554 -3.360 460 H GLN 62 H GLN 62 14.148 4.898 -4.999 461 HA GLN 62 HA GLN 62 12.540 4.961 -2.634 462 1HB GLN 62 1HB GLN 62 12.133 6.097 -5.387 463 2HB GLN 62 2HB GLN 62 11.086 6.432 -4.022 464 1HG GLN 62 1HG GLN 62 13.594 6.936 -3.006 465 2HG GLN 62 2HG GLN 62 13.721 7.513 -4.655 466 1HE2 GLN 62 2HE2 GLN 62 12.750 9.433 -5.221 467 2HE2 GLN 62 1HE2 GLN 62 11.780 10.373 -4.109 468 H LEU 63 H LEU 63 11.972 3.767 -5.952 469 HA LEU 63 HA LEU 63 9.412 2.651 -5.353 470 1HB LEU 63 1HB LEU 63 11.352 2.513 -7.584 471 2HB LEU 63 2HB LEU 63 10.145 1.247 -7.487 472 HG LEU 63 HG LEU 63 8.399 2.703 -7.877 473 1HD1 LEU 63 1HD1 LEU 63 8.918 4.361 -6.153 474 2HD1 LEU 63 2HD1 LEU 63 10.220 5.026 -7.200 475 3HD1 LEU 63 3HD1 LEU 63 8.502 5.153 -7.713 476 1HD2 LEU 63 1HD2 LEU 63 10.734 3.860 -9.411 477 2HD2 LEU 63 2HD2 LEU 63 9.756 2.426 -9.880 478 3HD2 LEU 63 3HD2 LEU 63 8.999 4.057 -9.838 479 H GLN 64 H GLN 64 12.719 1.503 -5.024 480 HA GLN 64 HA GLN 64 12.334 -1.230 -4.805 481 1HB GLN 64 1HB GLN 64 14.537 -0.495 -4.683 482 2HB GLN 64 2HB GLN 64 14.175 0.672 -3.427 483 1HG GLN 64 1HG GLN 64 14.271 -0.879 -1.762 484 2HG GLN 64 2HG GLN 64 13.708 -2.178 -2.794 485 1HE2 GLN 64 2HE2 GLN 64 15.181 -3.718 -2.587 486 2HE2 GLN 64 1HE2 GLN 64 16.895 -3.504 -2.861 487 H GLN 65 H GLN 65 11.429 1.323 -2.541 488 HA GLN 65 HA GLN 65 10.822 -0.472 -0.394 489 1HB GLN 65 1HB GLN 65 11.057 2.269 -0.702 490 2HB GLN 65 2HB GLN 65 9.345 2.025 -0.414 491 1HG GLN 65 1HG GLN 65 9.679 1.432 1.735 492 2HG GLN 65 2HG GLN 65 11.047 0.416 1.330 493 1HE2 GLN 65 2HE2 GLN 65 10.354 2.666 3.356 494 2HE2 GLN 65 1HE2 GLN 65 11.766 3.697 3.308 495 H CYS 66 H CYS 66 8.978 0.908 -3.103 496 HA CYS 66 HA CYS 66 6.455 -0.080 -2.272 497 1HB CYS 66 1HB CYS 66 6.391 1.579 -3.875 498 2HB CYS 66 2HB CYS 66 7.632 0.814 -4.847 499 H CYS 67 H CYS 67 8.888 -1.397 -4.595 500 HA CYS 67 HA CYS 67 7.474 -3.760 -5.153 501 1HB CYS 67 1HB CYS 67 9.531 -2.834 -6.303 502 2HB CYS 67 2HB CYS 67 10.455 -3.555 -5.001 503 H ASN 68 H ASN 68 10.108 -3.191 -2.800 504 HA ASN 68 HA ASN 68 9.994 -5.710 -1.548 505 1HB ASN 68 1HB ASN 68 10.856 -2.991 -0.666 506 2HB ASN 68 2HB ASN 68 10.790 -4.301 0.495 507 1HD2 ASN 68 2HD2 ASN 68 11.986 -3.611 -2.784 508 2HD2 ASN 68 1HD2 ASN 68 13.467 -4.522 -2.598 509 H GLN 69 H GLN 69 7.910 -2.930 -1.323 510 HA GLN 69 HA GLN 69 6.632 -3.719 1.130 511 1HB GLN 69 1HB GLN 69 6.240 -1.596 -0.886 512 2HB GLN 69 2HB GLN 69 4.858 -2.042 0.094 513 1HG GLN 69 1HG GLN 69 7.511 -1.505 1.354 514 2HG GLN 69 2HG GLN 69 6.437 -0.183 0.940 515 1HE2 GLN 69 2HE2 GLN 69 5.694 0.554 2.775 516 2HE2 GLN 69 1HE2 GLN 69 5.003 -0.430 4.045 517 H VAL 70 H VAL 70 5.927 -4.045 -2.314 518 HA VAL 70 HA VAL 70 3.363 -5.308 -1.890 519 HB VAL 70 HB VAL 70 4.989 -5.487 -4.388 520 1HG1 VAL 70 1HG1 VAL 70 2.874 -6.701 -4.271 521 2HG1 VAL 70 2HG1 VAL 70 2.037 -5.176 -3.813 522 3HG1 VAL 70 3HG1 VAL 70 2.779 -5.340 -5.443 523 1HG2 VAL 70 1HG2 VAL 70 3.348 -3.093 -3.499 524 2HG2 VAL 70 2HG2 VAL 70 5.137 -3.132 -3.673 525 3HG2 VAL 70 3HG2 VAL 70 4.089 -3.319 -5.122 526 H LYS 71 H LYS 71 6.688 -6.271 -1.891 527 HA LYS 71 HA LYS 71 6.185 -9.053 -2.435 528 1HB LYS 71 1HB LYS 71 8.385 -7.483 -2.510 529 2HB LYS 71 2HB LYS 71 8.624 -8.303 -0.980 530 1HG LYS 71 1HG LYS 71 7.870 -10.399 -2.502 531 2HG LYS 71 2HG LYS 71 8.623 -9.404 -3.731 532 1HD LYS 71 1HD LYS 71 10.719 -9.577 -2.782 533 2HD LYS 71 2HD LYS 71 10.082 -9.800 -1.164 534 1HE LYS 71 1HE LYS 71 9.220 -11.990 -2.773 535 2HE LYS 71 2HE LYS 71 10.946 -11.795 -2.994 536 1HZ LYS 71 1HZ LYS 71 11.206 -11.831 -0.621 537 2HZ LYS 71 2HZ LYS 71 9.574 -12.016 -0.411 538 3HZ LYS 71 3HZ LYS 71 10.457 -13.213 -1.139 539 H GLN 72 H GLN 72 5.704 -6.993 0.228 540 HA GLN 72 HA GLN 72 5.710 -9.252 2.110 541 1HB GLN 72 1HB GLN 72 5.551 -6.290 2.512 542 2HB GLN 72 2HB GLN 72 5.408 -7.459 3.808 543 1HG GLN 72 1HG GLN 72 7.759 -7.685 2.030 544 2HG GLN 72 2HG GLN 72 7.727 -6.344 3.158 545 1HE2 GLN 72 2HE2 GLN 72 8.321 -6.677 5.219 546 2HE2 GLN 72 1HE2 GLN 72 8.551 -8.250 5.948 547 H VAL 73 H VAL 73 3.685 -8.391 -0.127 548 HA VAL 73 HA VAL 73 1.271 -7.889 1.299 549 HB VAL 73 HB VAL 73 2.032 -7.676 -1.232 550 1HG1 VAL 73 1HG1 VAL 73 1.993 -10.049 -1.723 551 2HG1 VAL 73 2HG1 VAL 73 0.277 -10.133 -1.191 552 3HG1 VAL 73 3HG1 VAL 73 0.720 -9.181 -2.651 553 1HG2 VAL 73 1HG2 VAL 73 -0.804 -7.965 -0.273 554 2HG2 VAL 73 2HG2 VAL 73 0.201 -6.476 -0.232 555 3HG2 VAL 73 3HG2 VAL 73 -0.288 -7.188 -1.810 556 H ARG 74 H ARG 74 -0.662 -9.460 0.898 557 HA ARG 74 HA ARG 74 0.018 -11.924 2.269 558 1HB ARG 74 1HB ARG 74 -2.360 -10.358 1.786 559 2HB ARG 74 2HB ARG 74 -2.634 -12.073 1.554 560 1HG ARG 74 1HG ARG 74 -3.040 -11.725 3.841 561 2HG ARG 74 2HG ARG 74 -1.419 -12.389 3.781 562 1HD ARG 74 1HD ARG 74 -0.421 -10.327 4.272 563 2HD ARG 74 2HD ARG 74 -1.833 -9.418 3.773 564 HE ARG 74 HE ARG 74 -2.677 -9.615 5.916 565 1HH1 ARG 74 1HH2 ARG 74 -0.350 -12.181 5.414 566 2HH1 ARG 74 2HH2 ARG 74 -0.482 -12.752 7.062 567 1HH2 ARG 74 1HH1 ARG 74 -2.817 -10.372 8.012 568 2HH2 ARG 74 2HH1 ARG 74 -1.857 -11.747 8.512 569 H ASP 75 H ASP 75 -1.881 -11.247 -0.665 570 HA ASP 75 HA ASP 75 -0.659 -12.736 -2.561 571 1HB ASP 75 1HB ASP 75 -1.815 -14.537 -0.536 572 2HB ASP 75 2HB ASP 75 -2.242 -14.902 -2.196 573 H GLU 76 H GLU 76 -3.591 -11.963 -0.889 574 HA GLU 76 HA GLU 76 -5.004 -11.722 -3.463 575 1HB GLU 76 1HB GLU 76 -7.099 -12.455 -2.193 576 2HB GLU 76 2HB GLU 76 -5.985 -13.699 -2.724 577 1HG GLU 76 1HG GLU 76 -5.618 -12.553 0.001 578 2HG GLU 76 2HG GLU 76 -6.935 -13.681 -0.254 579 H CYS 77 H CYS 77 -3.756 -10.220 -0.892 580 HA CYS 77 HA CYS 77 -5.950 -8.292 -0.607 581 1HB CYS 77 1HB CYS 77 -3.396 -8.579 0.931 582 2HB CYS 77 2HB CYS 77 -4.662 -7.411 1.254 583 H GLN 78 H GLN 78 -3.473 -8.868 -2.690 584 HA GLN 78 HA GLN 78 -1.901 -6.646 -2.895 585 1HB GLN 78 1HB GLN 78 -3.153 -8.429 -4.918 586 2HB GLN 78 2HB GLN 78 -2.192 -7.055 -5.427 587 1HG GLN 78 1HG GLN 78 -0.384 -8.310 -5.169 588 2HG GLN 78 2HG GLN 78 -0.692 -8.299 -3.444 589 1HE2 GLN 78 2HE2 GLN 78 0.637 -10.400 -4.166 590 2HE2 GLN 78 1HE2 GLN 78 -0.378 -11.815 -4.339 591 H CYS 79 H CYS 79 -4.534 -6.836 -5.283 592 HA CYS 79 HA CYS 79 -4.756 -4.113 -5.666 593 1HB CYS 79 1HB CYS 79 -5.893 -5.358 -7.194 594 2HB CYS 79 2HB CYS 79 -6.588 -6.406 -5.975 595 H GLU 80 H GLU 80 -6.734 -6.154 -3.492 596 HA GLU 80 HA GLU 80 -8.314 -4.257 -2.322 597 1HB GLU 80 1HB GLU 80 -8.634 -6.454 -1.625 598 2HB GLU 80 2HB GLU 80 -6.958 -6.646 -1.152 599 1HG GLU 80 1HG GLU 80 -8.519 -4.536 0.212 600 2HG GLU 80 2HG GLU 80 -8.892 -6.200 0.620 601 H ALA 81 H ALA 81 -4.873 -4.513 -1.976 602 HA ALA 81 HA ALA 81 -4.591 -2.796 0.281 603 1HB ALA 81 1HB ALA 81 -2.903 -4.453 -0.320 604 2HB ALA 81 2HB ALA 81 -2.651 -3.612 -1.889 605 3HB ALA 81 3HB ALA 81 -2.220 -2.790 -0.349 606 H ILE 82 H ILE 82 -4.027 -2.292 -3.254 607 HA ILE 82 HA ILE 82 -3.651 0.463 -3.122 608 HB ILE 82 HB ILE 82 -4.731 -1.324 -5.244 609 1HG1 ILE 82 1HG1 ILE 82 -2.423 -1.677 -4.741 610 2HG1 ILE 82 2HG1 ILE 82 -2.530 -0.841 -6.277 611 1HG2 ILE 82 1HG2 ILE 82 -5.727 0.870 -5.630 612 2HG2 ILE 82 2HG2 ILE 82 -4.102 1.627 -5.498 613 3HG2 ILE 82 3HG2 ILE 82 -4.465 0.512 -6.860 614 1HD1 ILE 82 1HD1 ILE 82 -2.027 1.313 -5.165 615 2HD1 ILE 82 2HD1 ILE 82 -1.917 0.456 -3.590 616 3HD1 ILE 82 3HD1 ILE 82 -0.722 0.109 -4.887 617 H LYS 83 H LYS 83 -6.679 -1.380 -3.180 618 HA LYS 83 HA LYS 83 -8.316 0.966 -3.435 619 1HB LYS 83 1HB LYS 83 -8.730 -1.918 -2.922 620 2HB LYS 83 2HB LYS 83 -10.008 -0.835 -2.410 621 1HG LYS 83 1HG LYS 83 -10.331 -1.669 -4.733 622 2HG LYS 83 2HG LYS 83 -10.197 0.077 -4.653 623 1HD LYS 83 1HD LYS 83 -7.737 -0.217 -5.204 624 2HD LYS 83 2HD LYS 83 -8.108 -1.891 -5.561 625 1HE LYS 83 1HE LYS 83 -9.072 -1.379 -7.525 626 2HE LYS 83 2HE LYS 83 -9.890 0.021 -6.863 627 1HZ LYS 83 1HZ LYS 83 -7.835 1.230 -7.007 628 2HZ LYS 83 2HZ LYS 83 -7.062 -0.095 -7.633 629 3HZ LYS 83 3HZ LYS 83 -8.267 0.646 -8.496 630 H TYR 84 H TYR 84 -6.303 0.057 -1.040 631 HA TYR 84 HA TYR 84 -7.931 1.209 1.132 632 1HB TYR 84 1HB TYR 84 -7.272 -0.706 2.093 633 2HB TYR 84 2HB TYR 84 -6.042 -0.991 0.878 634 HD1 TYR 84 1HD TYR 84 -3.789 -0.986 1.528 635 HD2 TYR 84 2HD TYR 84 -6.686 1.295 3.768 636 HE1 TYR 84 1HE TYR 84 -2.012 -0.339 3.159 637 HE2 TYR 84 2HE TYR 84 -4.933 1.853 5.454 638 HH TYR 84 HH TYR 84 -2.803 1.807 5.911 639 H ILE 85 H ILE 85 -4.466 0.982 0.103 640 HA ILE 85 HA ILE 85 -3.751 3.295 1.584 641 HB ILE 85 HB ILE 85 -2.231 1.464 1.046 642 1HG1 ILE 85 1HG1 ILE 85 -1.602 4.257 0.265 643 2HG1 ILE 85 2HG1 ILE 85 -1.029 3.322 1.631 644 1HG2 ILE 85 1HG2 ILE 85 -3.049 0.871 -1.177 645 2HG2 ILE 85 2HG2 ILE 85 -2.440 2.435 -1.818 646 3HG2 ILE 85 3HG2 ILE 85 -1.283 1.200 -1.214 647 1HD1 ILE 85 1HD1 ILE 85 0.402 1.980 0.140 648 2HD1 ILE 85 2HD1 ILE 85 -0.187 2.940 -1.262 649 3HD1 ILE 85 3HD1 ILE 85 0.787 3.732 0.025 650 H ALA 86 H ALA 86 -4.279 2.654 -1.894 651 HA ALA 86 HA ALA 86 -3.965 5.333 -2.704 652 1HB ALA 86 1HB ALA 86 -3.795 3.467 -4.260 653 2HB ALA 86 2HB ALA 86 -5.529 3.081 -3.983 654 3HB ALA 86 3HB ALA 86 -5.069 4.623 -4.784 655 H GLU 87 H GLU 87 -6.940 3.429 -2.202 656 HA GLU 87 HA GLU 87 -8.693 5.594 -2.518 657 1HB GLU 87 1HB GLU 87 -9.098 3.020 -2.244 658 2HB GLU 87 2HB GLU 87 -9.350 3.477 -0.572 659 1HG GLU 87 1HG GLU 87 -11.489 3.613 -1.450 660 2HG GLU 87 2HG GLU 87 -10.937 5.272 -1.557 661 H ASP 88 H ASP 88 -6.844 4.554 0.270 662 HA ASP 88 HA ASP 88 -8.146 5.806 2.369 663 1HB ASP 88 1HB ASP 88 -5.364 5.033 1.795 664 2HB ASP 88 2HB ASP 88 -5.568 6.294 2.994 665 H GLN 89 H GLN 89 -5.166 7.137 0.897 666 HA GLN 89 HA GLN 89 -5.632 9.763 1.720 667 1HB GLN 89 1HB GLN 89 -3.874 10.382 0.286 668 2HB GLN 89 2HB GLN 89 -3.489 8.770 0.853 669 1HG GLN 89 1HG GLN 89 -4.471 7.864 -1.260 670 2HG GLN 89 2HG GLN 89 -4.647 9.513 -1.826 671 1HE2 GLN 89 2HE2 GLN 89 -2.206 7.506 -0.178 672 2HE2 GLN 89 1HE2 GLN 89 -0.839 8.078 -1.109 673 H ILE 90 H ILE 90 -6.458 8.164 -1.385 674 HA ILE 90 HA ILE 90 -7.424 10.375 -2.735 675 HB ILE 90 HB ILE 90 -8.282 7.522 -2.805 676 1HG1 ILE 90 1HG1 ILE 90 -6.669 8.924 -4.886 677 2HG1 ILE 90 2HG1 ILE 90 -5.896 8.290 -3.447 678 1HG2 ILE 90 1HG2 ILE 90 -10.104 8.894 -3.669 679 2HG2 ILE 90 2HG2 ILE 90 -8.947 9.742 -4.753 680 3HG2 ILE 90 3HG2 ILE 90 -9.293 7.995 -4.999 681 1HD1 ILE 90 1HD1 ILE 90 -6.789 6.033 -3.934 682 2HD1 ILE 90 2HD1 ILE 90 -7.582 6.683 -5.411 683 3HD1 ILE 90 3HD1 ILE 90 -5.788 6.650 -5.294 684 H GLN 91 H GLN 91 -8.879 8.508 -0.178 685 HA GLN 91 HA GLN 91 -11.358 10.016 -0.334 686 1HB GLN 91 1HB GLN 91 -10.494 7.553 1.048 687 2HB GLN 91 2HB GLN 91 -11.810 8.485 1.734 688 1HG GLN 91 1HG GLN 91 -12.227 8.267 -1.078 689 2HG GLN 91 2HG GLN 91 -11.909 6.668 -0.436 690 1HE2 GLN 91 2HE2 GLN 91 -13.368 5.692 0.957 691 2HE2 GLN 91 1HE2 GLN 91 -14.933 6.384 1.323 692 H GLN 92 H GLN 92 -8.408 9.922 1.466 693 HA GLN 92 HA GLN 92 -9.368 11.367 3.738 694 1HB GLN 92 1HB GLN 92 -7.228 9.800 3.363 695 2HB GLN 92 2HB GLN 92 -6.488 11.360 3.061 696 1HG GLN 92 1HG GLN 92 -6.290 11.485 5.304 697 2HG GLN 92 2HG GLN 92 -7.997 11.879 5.277 698 1HE2 GLN 92 2HE2 GLN 92 -6.507 10.621 7.415 699 2HE2 GLN 92 1HE2 GLN 92 -7.211 9.039 7.665 700 H GLY 93 H GLY 93 -7.076 12.222 1.125 701 1HA GLY 93 1HA GLY 93 -7.292 15.027 1.593 702 2HA GLY 93 2HA GLY 93 -6.508 14.233 0.242 703 H GLN 94 H GLN 94 -7.532 16.302 -0.660 704 HA GLN 94 HA GLN 94 -10.357 15.975 -1.340 705 1HB GLN 94 1HB GLN 94 -8.447 18.164 -1.314 706 2HB GLN 94 2HB GLN 94 -9.446 18.143 -2.753 707 1HG GLN 94 1HG GLN 94 -11.432 18.309 -1.521 708 2HG GLN 94 2HG GLN 94 -10.653 17.809 -0.034 709 1HE2 GLN 94 2HE2 GLN 94 -10.993 19.485 1.300 710 2HE2 GLN 94 1HE2 GLN 94 -10.471 21.124 0.982 711 H LEU 95 H LEU 95 -8.980 13.817 -2.282 712 HA LEU 95 HA LEU 95 -8.258 14.341 -5.046 713 1HB LEU 95 1HB LEU 95 -8.555 11.719 -3.645 714 2HB LEU 95 2HB LEU 95 -7.727 12.024 -5.159 715 HG LEU 95 HG LEU 95 -5.996 11.816 -3.685 716 1HD1 LEU 95 1HD1 LEU 95 -5.720 13.905 -4.910 717 2HD1 LEU 95 2HD1 LEU 95 -6.604 14.780 -3.611 718 3HD1 LEU 95 3HD1 LEU 95 -5.009 14.027 -3.263 719 1HD2 LEU 95 1HD2 LEU 95 -7.551 13.405 -1.654 720 2HD2 LEU 95 2HD2 LEU 95 -7.281 11.627 -1.650 721 3HD2 LEU 95 3HD2 LEU 95 -5.893 12.747 -1.432 722 H HIS 96 H HIS 96 -11.129 14.421 -3.563 723 HA HIS 96 HA HIS 96 -12.635 12.774 -5.419 724 1HB HIS 96 1HB HIS 96 -13.693 14.743 -3.445 725 2HB HIS 96 2HB HIS 96 -14.509 13.355 -4.137 726 HD1 HIS 96 1HD HIS 96 -14.588 11.314 -2.660 727 HD2 HIS 96 2HD HIS 96 -11.428 13.968 -1.773 728 HE1 HIS 96 1HE HIS 96 -13.428 10.392 -0.566 729 HE2 HIS 96 2HE HIS 96 -11.508 12.023 -0.036 730 H GLY 97 H GLY 97 -14.863 14.579 -5.661 731 1HA GLY 97 1HA GLY 97 -15.666 16.197 -7.062 732 2HA GLY 97 2HA GLY 97 -14.132 17.026 -6.897 733 H GLU 98 H GLU 98 -12.314 16.222 -8.233 734 HA GLU 98 HA GLU 98 -12.792 14.436 -10.416 735 1HB GLU 98 1HB GLU 98 -14.006 16.604 -11.030 736 2HB GLU 98 2HB GLU 98 -12.406 17.292 -11.219 737 1HG GLU 98 1HG GLU 98 -11.834 15.613 -12.874 738 2HG GLU 98 2HG GLU 98 -13.367 14.803 -12.625 739 H GLU 99 H GLU 99 -10.908 14.720 -8.288 740 HA GLU 99 HA GLU 99 -8.434 15.101 -9.846 741 1HB GLU 99 1HB GLU 99 -7.506 15.866 -7.499 742 2HB GLU 99 2HB GLU 99 -8.162 17.002 -8.660 743 1HG GLU 99 1HG GLU 99 -10.356 16.809 -7.506 744 2HG GLU 99 2HG GLU 99 -9.573 15.830 -6.283 745 H SER 100 H SER 100 -10.122 12.788 -9.079 746 HA SER 100 HA SER 100 -8.386 11.386 -7.149 747 1HB SER 100 1HB SER 100 -10.352 10.518 -6.530 748 2HB SER 100 2HB SER 100 -11.153 11.166 -7.946 749 HG SER 100 HG SER 100 -11.242 8.888 -7.855 750 H GLU 101 H GLU 101 -9.339 11.487 -10.521 751 HA GLU 101 HA GLU 101 -8.064 9.006 -11.226 752 1HB GLU 101 1HB GLU 101 -9.883 10.196 -12.537 753 2HB GLU 101 2HB GLU 101 -8.646 11.323 -13.056 754 1HG GLU 101 1HG GLU 101 -8.510 9.808 -14.781 755 2HG GLU 101 2HG GLU 101 -7.369 9.074 -13.672 756 H ARG 102 H ARG 102 -7.070 12.382 -10.938 757 HA ARG 102 HA ARG 102 -4.593 12.139 -12.320 758 1HB ARG 102 1HB ARG 102 -3.999 14.212 -11.231 759 2HB ARG 102 2HB ARG 102 -5.661 14.294 -11.777 760 1HG ARG 102 1HG ARG 102 -6.508 14.255 -9.657 761 2HG ARG 102 2HG ARG 102 -5.155 13.343 -9.019 762 1HD ARG 102 1HD ARG 102 -3.784 15.446 -9.358 763 2HD ARG 102 2HD ARG 102 -5.312 16.271 -9.593 764 HE ARG 102 HE ARG 102 -5.678 14.945 -7.230 765 1HH1 ARG 102 1HH2 ARG 102 -3.148 17.078 -8.355 766 2HH1 ARG 102 2HH2 ARG 102 -2.815 17.702 -6.754 767 1HH2 ARG 102 1HH1 ARG 102 -5.253 15.785 -5.190 768 2HH2 ARG 102 2HH1 ARG 102 -3.991 16.980 -4.990 769 H VAL 103 H VAL 103 -5.666 11.135 -9.158 770 HA VAL 103 HA VAL 103 -2.979 10.894 -8.093 771 HB VAL 103 HB VAL 103 -5.740 10.309 -7.160 772 1HG1 VAL 103 1HG1 VAL 103 -4.478 8.320 -6.519 773 2HG1 VAL 103 2HG1 VAL 103 -3.215 9.366 -5.784 774 3HG1 VAL 103 3HG1 VAL 103 -4.871 9.327 -5.083 775 1HG2 VAL 103 1HG2 VAL 103 -3.437 11.919 -6.010 776 2HG2 VAL 103 2HG2 VAL 103 -4.858 12.581 -6.891 777 3HG2 VAL 103 3HG2 VAL 103 -5.080 11.788 -5.293 778 H ALA 104 H ALA 104 -5.196 9.012 -9.959 779 HA ALA 104 HA ALA 104 -4.126 6.436 -9.346 780 1HB ALA 104 1HB ALA 104 -6.357 6.745 -10.325 781 2HB ALA 104 2HB ALA 104 -5.604 7.449 -11.797 782 3HB ALA 104 3HB ALA 104 -5.326 5.721 -11.384 783 H GLN 105 H GLN 105 -3.450 8.878 -11.847 784 HA GLN 105 HA GLN 105 -1.537 7.332 -13.257 785 1HB GLN 105 1HB GLN 105 -0.753 9.532 -14.110 786 2HB GLN 105 2HB GLN 105 -2.472 9.249 -14.304 787 1HG GLN 105 1HG GLN 105 -3.020 10.702 -12.562 788 2HG GLN 105 2HG GLN 105 -1.376 10.728 -11.956 789 1HE2 GLN 105 2HE2 GLN 105 -2.432 13.116 -12.120 790 2HE2 GLN 105 1HE2 GLN 105 -1.865 13.985 -13.529 791 H ARG 106 H ARG 106 -1.301 9.421 -10.412 792 HA ARG 106 HA ARG 106 1.506 9.635 -10.299 793 1HB ARG 106 1HB ARG 106 -0.766 10.023 -8.507 794 2HB ARG 106 2HB ARG 106 0.749 9.646 -7.710 795 1HG ARG 106 1HG ARG 106 1.189 11.832 -7.862 796 2HG ARG 106 2HG ARG 106 1.487 11.531 -9.562 797 1HD ARG 106 1HD ARG 106 -0.414 12.549 -10.203 798 2HD ARG 106 2HD ARG 106 -1.333 11.889 -8.865 799 HE ARG 106 HE ARG 106 0.152 13.723 -7.589 800 1HH1 ARG 106 1HH2 ARG 106 -1.734 13.960 -10.531 801 2HH1 ARG 106 2HH2 ARG 106 -2.050 15.666 -10.303 802 1HH2 ARG 106 1HH1 ARG 106 -0.261 15.902 -7.338 803 2HH2 ARG 106 2HH1 ARG 106 -1.230 16.747 -8.524 804 H ALA 107 H ALA 107 -0.708 7.412 -8.568 805 HA ALA 107 HA ALA 107 1.392 5.891 -7.402 806 1HB ALA 107 1HB ALA 107 -0.905 5.944 -6.523 807 2HB ALA 107 2HB ALA 107 -1.479 5.133 -8.021 808 3HB ALA 107 3HB ALA 107 -0.385 4.263 -6.891 809 H GLY 108 H GLY 108 -0.658 5.399 -10.267 810 1HA GLY 108 1HA GLY 108 0.129 3.030 -11.284 811 2HA GLY 108 2HA GLY 108 -0.108 4.451 -12.282 812 H GLU 109 H GLU 109 2.127 5.944 -11.187 813 HA GLU 109 HA GLU 109 4.254 5.137 -12.772 814 1HB GLU 109 1HB GLU 109 4.282 6.756 -10.253 815 2HB GLU 109 2HB GLU 109 5.633 6.615 -11.361 816 1HG GLU 109 1HG GLU 109 3.844 7.354 -13.137 817 2HG GLU 109 2HG GLU 109 3.023 8.002 -11.732 818 H ILE 110 H ILE 110 3.897 4.615 -9.266 819 HA ILE 110 HA ILE 110 6.267 2.994 -9.099 820 HB ILE 110 HB ILE 110 4.076 3.024 -7.073 821 1HG1 ILE 110 1HG1 ILE 110 4.198 5.318 -7.307 822 2HG1 ILE 110 2HG1 ILE 110 5.428 5.023 -6.095 823 1HG2 ILE 110 1HG2 ILE 110 5.949 1.513 -6.707 824 2HG2 ILE 110 2HG2 ILE 110 7.094 2.887 -6.894 825 3HG2 ILE 110 3HG2 ILE 110 5.961 2.844 -5.498 826 1HD1 ILE 110 1HD1 ILE 110 7.187 5.074 -7.832 827 2HD1 ILE 110 2HD1 ILE 110 5.925 5.377 -9.076 828 3HD1 ILE 110 3HD1 ILE 110 6.245 6.606 -7.803 829 H VAL 111 H VAL 111 2.847 2.478 -9.632 830 HA VAL 111 HA VAL 111 2.729 -0.276 -9.186 831 HB VAL 111 HB VAL 111 1.291 1.524 -11.055 832 1HG1 VAL 111 1HG1 VAL 111 1.223 -0.661 -12.084 833 2HG1 VAL 111 2HG1 VAL 111 0.670 -1.380 -10.531 834 3HG1 VAL 111 3HG1 VAL 111 -0.386 -0.223 -11.412 835 1HG2 VAL 111 1HG2 VAL 111 0.501 0.244 -8.433 836 2HG2 VAL 111 2HG2 VAL 111 0.910 1.973 -8.710 837 3HG2 VAL 111 3HG2 VAL 111 -0.566 1.269 -9.456 838 H SER 112 H SER 112 3.403 1.453 -12.249 839 HA SER 112 HA SER 112 3.988 -0.806 -13.793 840 1HB SER 112 1HB SER 112 3.754 1.340 -14.831 841 2HB SER 112 2HB SER 112 5.097 1.989 -13.912 842 HG SER 112 HG SER 112 5.690 1.429 -16.055 843 H SER 113 H SER 113 5.783 0.627 -11.210 844 HA SER 113 HA SER 113 8.334 -0.508 -11.935 845 1HB SER 113 1HB SER 113 7.513 0.389 -9.202 846 2HB SER 113 2HB SER 113 9.116 0.379 -9.908 847 HG SER 113 HG SER 113 8.151 2.461 -9.956 848 H CYS 114 H CYS 114 6.228 -1.107 -9.103 849 HA CYS 114 HA CYS 114 6.301 -3.960 -9.522 850 1HB CYS 114 1HB CYS 114 8.526 -3.349 -8.503 851 2HB CYS 114 2HB CYS 114 7.625 -2.945 -7.055 852 H GLY 115 H GLY 115 4.209 -2.229 -9.509 853 1HA GLY 115 1HA GLY 115 2.758 -3.039 -7.083 854 2HA GLY 115 2HA GLY 115 2.785 -1.342 -7.522 855 H VAL 116 H VAL 116 2.819 -3.950 -9.890 856 HA VAL 116 HA VAL 116 0.481 -2.936 -11.190 857 HB VAL 116 HB VAL 116 2.245 -5.285 -11.670 858 1HG1 VAL 116 1HG1 VAL 116 -0.008 -5.946 -12.353 859 2HG1 VAL 116 2HG1 VAL 116 -0.156 -4.427 -13.302 860 3HG1 VAL 116 3HG1 VAL 116 1.051 -5.671 -13.780 861 1HG2 VAL 116 1HG2 VAL 116 1.723 -2.723 -13.213 862 2HG2 VAL 116 2HG2 VAL 116 3.173 -3.078 -12.211 863 3HG2 VAL 116 3HG2 VAL 116 2.858 -4.028 -13.705 864 H ARG 117 H ARG 117 -0.664 -3.132 -8.962 865 HA ARG 117 HA ARG 117 -1.722 -5.838 -8.499 866 1HB ARG 117 1HB ARG 117 -1.746 -3.298 -6.930 867 2HB ARG 117 2HB ARG 117 -2.854 -4.602 -6.555 868 1HG ARG 117 1HG ARG 117 -1.022 -4.984 -5.171 869 2HG ARG 117 2HG ARG 117 -0.802 -6.098 -6.505 870 1HD ARG 117 1HD ARG 117 0.419 -3.474 -6.909 871 2HD ARG 117 2HD ARG 117 1.100 -4.396 -5.582 872 HE ARG 117 HE ARG 117 1.569 -4.848 -8.328 873 1HH1 ARG 117 1HH2 ARG 117 0.865 -6.696 -5.443 874 2HH1 ARG 117 2HH2 ARG 117 1.677 -8.124 -6.043 875 1HH2 ARG 117 1HH1 ARG 117 2.593 -6.704 -9.046 876 2HH2 ARG 117 2HH1 ARG 117 2.628 -8.126 -8.029 877 H CYS 118 H CYS 118 -3.545 -2.949 -7.776 878 HA CYS 118 HA CYS 118 -5.564 -3.803 -9.749 879 1HB CYS 118 1HB CYS 118 -5.745 -3.139 -7.065 880 2HB CYS 118 2HB CYS 118 -6.420 -1.771 -7.925 881 H MET 119 H MET 119 -3.036 -1.722 -9.451 882 HA MET 119 HA MET 119 -4.326 0.506 -10.858 883 1HB MET 119 1HB MET 119 -2.216 0.230 -9.023 884 2HB MET 119 2HB MET 119 -1.555 0.875 -10.511 885 1HG MET 119 1HG MET 119 -2.528 2.864 -10.199 886 2HG MET 119 2HG MET 119 -4.057 2.138 -9.748 887 1HE MET 119 1HE MET 119 -4.070 4.412 -8.163 888 2HE MET 119 2HE MET 119 -5.014 2.961 -7.675 889 3HE MET 119 3HE MET 119 -4.058 3.866 -6.450 890 H ARG 120 H ARG 120 -3.409 -2.344 -11.852 891 HA ARG 120 HA ARG 120 -2.762 -1.425 -14.513 892 1HB ARG 120 1HB ARG 120 -0.533 -1.366 -13.730 893 2HB ARG 120 2HB ARG 120 -0.733 -2.850 -12.823 894 1HG ARG 120 1HG ARG 120 0.560 -3.180 -14.910 895 2HG ARG 120 2HG ARG 120 -0.911 -4.130 -14.873 896 1HD ARG 120 1HD ARG 120 -1.583 -1.668 -16.049 897 2HD ARG 120 2HD ARG 120 -0.081 -2.178 -16.789 898 HE ARG 120 HE ARG 120 -1.862 -4.386 -16.687 899 1HH1 ARG 120 1HH2 ARG 120 -1.266 -1.453 -18.451 900 2HH1 ARG 120 2HH2 ARG 120 -2.160 -1.991 -19.857 901 1HH2 ARG 120 1HH1 ARG 120 -3.069 -5.037 -18.454 902 2HH2 ARG 120 2HH1 ARG 120 -3.169 -3.998 -19.858 903 H GLN 121 H GLN 121 -2.948 -4.118 -12.237 904 HA GLN 121 HA GLN 121 -4.440 -5.600 -14.291 905 1HB GLN 121 1HB GLN 121 -1.883 -6.281 -13.510 906 2HB GLN 121 2HB GLN 121 -2.914 -7.364 -12.596 907 1HG GLN 121 1HG GLN 121 -2.658 -7.065 -15.561 908 2HG GLN 121 2HG GLN 121 -2.539 -8.518 -14.588 909 1HE2 GLN 121 2HE2 GLN 121 -4.653 -6.394 -16.350 910 2HE2 GLN 121 1HE2 GLN 121 -6.121 -7.306 -16.082 911 H THR 122 H THR 122 -4.734 -7.899 -12.592 912 HA THR 122 HA THR 122 -6.845 -6.871 -10.850 913 HB THR 122 HB THR 122 -6.337 -9.754 -11.496 914 HG1 THR 122 1HG THR 122 -7.734 -9.361 -13.267 915 1HG2 THR 122 1HG2 THR 122 -8.195 -9.133 -9.891 916 2HG2 THR 122 2HG2 THR 122 -8.881 -8.097 -11.189 917 3HG2 THR 122 3HG2 THR 122 -8.789 -9.878 -11.415 918 H ARG 123 H ARG 123 -6.931 -9.147 -9.119 919 HA ARG 123 HA ARG 123 -5.535 -8.289 -6.948 920 1HB ARG 123 1HB ARG 123 -6.309 -11.072 -7.723 921 2HB ARG 123 2HB ARG 123 -5.614 -10.690 -6.161 922 1HG ARG 123 1HG ARG 123 -7.717 -10.284 -5.495 923 2HG ARG 123 2HG ARG 123 -7.600 -8.806 -6.428 924 1HD ARG 123 1HD ARG 123 -9.189 -9.538 -7.825 925 2HD ARG 123 2HD ARG 123 -8.229 -10.952 -8.204 926 HE ARG 123 HE ARG 123 -10.531 -10.829 -6.461 927 1HH1 ARG 123 1HH2 ARG 123 -7.552 -12.566 -7.080 928 2HH1 ARG 123 2HH2 ARG 123 -8.104 -14.013 -6.267 929 1HH2 ARG 123 1HH1 ARG 123 -11.199 -12.694 -5.409 930 2HH2 ARG 123 2HH1 ARG 123 -10.140 -14.085 -5.335 931 H THR 124 H THR 124 -4.477 -11.335 -8.286 932 HA THR 124 HA THR 124 -1.889 -11.339 -7.374 933 HB THR 124 HB THR 124 -1.476 -13.013 -9.138 934 HG1 THR 124 1HG THR 124 -3.130 -13.200 -10.736 935 1HG2 THR 124 1HG2 THR 124 -3.051 -13.692 -7.267 936 2HG2 THR 124 2HG2 THR 124 -4.414 -13.090 -8.274 937 3HG2 THR 124 3HG2 THR 124 -3.436 -14.493 -8.830 938 H ASN 125 H ASN 125 0.187 -11.116 -8.521 939 HA ASN 125 HA ASN 125 0.642 -8.544 -9.430 940 1HB ASN 125 1HB ASN 125 2.496 -9.889 -8.824 941 2HB ASN 125 2HB ASN 125 2.108 -11.093 -10.037 942 1HD2 ASN 125 2HD2 ASN 125 4.040 -11.007 -11.114 943 2HD2 ASN 125 1HD2 ASN 125 4.638 -9.592 -11.953
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