NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7454 | 1kkg | 5093 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -7.646 -9.415 -2.900 2 HA MET 1 HA MET 1 -8.125 -10.712 -1.096 3 1HB MET 1 1HB MET 1 -9.394 -9.196 0.478 4 2HB MET 1 2HB MET 1 -8.217 -8.313 -0.475 5 1HG MET 1 1HG MET 1 -9.867 -6.973 -1.269 6 2HG MET 1 2HG MET 1 -10.637 -8.360 -2.015 7 1HE MET 1 1HE MET 1 -13.438 -7.063 -1.151 8 2HE MET 1 2HE MET 1 -12.667 -8.472 -1.918 9 3HE MET 1 3HE MET 1 -13.733 -8.698 -0.511 10 H ALA 2 H ALA 2 -9.233 -12.564 -2.178 11 HA ALA 2 HA ALA 2 -11.426 -13.448 -0.937 12 1HB ALA 2 1HB ALA 2 -12.161 -11.405 -2.946 13 2HB ALA 2 2HB ALA 2 -13.053 -12.937 -3.097 14 3HB ALA 2 3HB ALA 2 -13.087 -12.034 -1.563 15 H LYS 3 H LYS 3 -9.058 -14.474 -1.956 16 HA LYS 3 HA LYS 3 -10.119 -16.362 -3.921 17 1HB LYS 3 1HB LYS 3 -8.301 -14.357 -4.591 18 2HB LYS 3 2HB LYS 3 -7.291 -15.766 -4.344 19 1HG LYS 3 1HG LYS 3 -8.944 -17.069 -5.829 20 2HG LYS 3 2HG LYS 3 -9.687 -15.530 -6.216 21 1HD LYS 3 1HD LYS 3 -8.086 -15.110 -7.763 22 2HD LYS 3 2HD LYS 3 -6.838 -15.222 -6.539 23 1HE LYS 3 1HE LYS 3 -6.274 -17.382 -7.114 24 2HE LYS 3 2HE LYS 3 -7.936 -17.853 -7.405 25 1HZ LYS 3 1HZ LYS 3 -6.091 -17.284 -9.342 26 2HZ LYS 3 2HZ LYS 3 -7.696 -17.407 -9.589 27 H GLU 4 H GLU 4 -10.459 -17.810 -2.149 28 HA GLU 4 HA GLU 4 -8.151 -18.458 -0.570 29 1HB GLU 4 1HB GLU 4 -10.809 -18.396 0.021 30 2HB GLU 4 2HB GLU 4 -10.650 -20.095 -0.379 31 1HG GLU 4 1HG GLU 4 -8.843 -20.367 1.275 32 2HG GLU 4 2HG GLU 4 -8.829 -18.645 1.599 33 HE2 GLU 4 HE GLU 4 -10.246 -21.133 3.530 34 H PHE 5 H PHE 5 -6.731 -19.333 -2.211 35 HA PHE 5 HA PHE 5 -7.506 -22.051 -2.963 36 1HB PHE 5 1HB PHE 5 -7.461 -19.890 -4.710 37 2HB PHE 5 2HB PHE 5 -5.789 -20.402 -4.817 38 HD1 PHE 5 HD1 PHE 5 -7.304 -20.471 -7.221 39 HD2 PHE 5 HD2 PHE 5 -7.152 -23.381 -4.135 40 HE1 PHE 5 HE1 PHE 5 -7.954 -22.251 -8.867 41 HE2 PHE 5 HE2 PHE 5 -7.803 -25.161 -5.781 42 HZ PHE 5 HZ PHE 5 -8.195 -24.574 -8.128 43 H GLY 6 H GLY 6 -5.309 -23.054 -4.089 44 1HA GLY 6 1HA GLY 6 -3.303 -22.797 -1.973 45 2HA GLY 6 2HA GLY 6 -3.461 -24.095 -3.139 46 H ARG 7 H ARG 7 -3.959 -21.310 -4.922 47 HA ARG 7 HA ARG 7 -1.363 -21.517 -6.034 48 1HB ARG 7 1HB ARG 7 -3.959 -20.439 -6.795 49 2HB ARG 7 2HB ARG 7 -2.733 -19.219 -7.080 50 1HG ARG 7 1HG ARG 7 -2.955 -20.603 -9.088 51 2HG ARG 7 2HG ARG 7 -1.380 -20.887 -8.374 52 1HD ARG 7 1HD ARG 7 -1.997 -23.025 -7.534 53 2HD ARG 7 2HD ARG 7 -3.712 -22.670 -7.605 54 HE ARG 7 HE ARG 7 -3.726 -23.175 -9.918 55 1HH1 ARG 7 2HH2 ARG 7 -0.402 -23.137 -8.693 56 2HH1 ARG 7 1HH2 ARG 7 0.262 -23.871 -10.114 57 1HH2 ARG 7 1HH ARG 7 -1.196 -24.455 -11.923 58 HA PRO 8 HA PRO 8 0.407 -17.901 -4.320 59 1HB PRO 8 1HB PRO 8 1.405 -16.419 -6.388 60 2HB PRO 8 2HB PRO 8 2.197 -17.854 -5.768 61 1HG PRO 8 1HG PRO 8 0.652 -17.523 -8.267 62 2HG PRO 8 2HG PRO 8 1.786 -18.787 -7.837 63 1HD PRO 8 1HD PRO 8 -1.075 -18.981 -7.848 64 2HD PRO 8 2HD PRO 8 0.056 -20.205 -7.308 65 H GLN 9 H GLN 9 -2.431 -17.654 -5.815 66 HA GLN 9 HA GLN 9 -2.578 -14.796 -5.725 67 1HB GLN 9 1HB GLN 9 -3.940 -16.826 -7.112 68 2HB GLN 9 2HB GLN 9 -5.136 -16.222 -5.983 69 1HG GLN 9 1HG GLN 9 -5.165 -14.968 -8.146 70 2HG GLN 9 2HG GLN 9 -4.823 -13.922 -6.783 71 1HE2 GLN 9 1HE2 GLN 9 -4.085 -12.691 -8.788 72 2HE2 GLN 9 2HE2 GLN 9 -2.409 -12.808 -9.208 73 H ARG 10 H ARG 10 -3.643 -17.639 -3.816 74 HA ARG 10 HA ARG 10 -5.417 -16.375 -2.173 75 1HB ARG 10 1HB ARG 10 -4.845 -18.884 -2.332 76 2HB ARG 10 2HB ARG 10 -3.471 -18.561 -1.293 77 1HG ARG 10 1HG ARG 10 -6.036 -17.444 -0.281 78 2HG ARG 10 2HG ARG 10 -6.022 -19.192 -0.404 79 1HD ARG 10 1HD ARG 10 -3.530 -18.687 0.730 80 2HD ARG 10 2HD ARG 10 -4.511 -17.422 1.442 81 HE ARG 10 HE ARG 10 -6.113 -19.643 1.743 82 1HH1 ARG 10 2HH2 ARG 10 -2.732 -18.994 2.577 83 2HH1 ARG 10 1HH2 ARG 10 -2.725 -20.085 3.923 84 1HH2 ARG 10 1HH ARG 10 -4.720 -21.302 4.457 85 H VAL 11 H VAL 11 -1.932 -17.165 -1.431 86 HA VAL 11 HA VAL 11 -1.764 -15.732 0.910 87 HB VAL 11 HB VAL 11 -0.140 -17.330 -0.533 88 1HG1 VAL 11 1HG1 VAL 11 1.874 -16.101 -1.183 89 2HG1 VAL 11 2HG1 VAL 11 0.465 -15.536 -2.110 90 3HG1 VAL 11 3HG1 VAL 11 1.090 -14.561 -0.758 91 1HG2 VAL 11 1HG2 VAL 11 0.834 -15.402 1.602 92 2HG2 VAL 11 2HG2 VAL 11 -0.099 -16.884 1.917 93 3HG2 VAL 11 3HG2 VAL 11 1.525 -16.991 1.195 94 H ALA 12 H ALA 12 -1.382 -14.661 -2.503 95 HA ALA 12 HA ALA 12 -0.409 -12.116 -1.980 96 1HB ALA 12 1HB ALA 12 -2.060 -11.934 -4.247 97 2HB ALA 12 2HB ALA 12 -0.326 -12.335 -4.219 98 3HB ALA 12 3HB ALA 12 -1.540 -13.636 -4.197 99 H GLN 13 H GLN 13 -3.718 -13.480 -1.877 100 HA GLN 13 HA GLN 13 -4.983 -10.984 -1.709 101 1HB GLN 13 1HB GLN 13 -5.864 -13.796 -0.936 102 2HB GLN 13 2HB GLN 13 -6.929 -12.408 -0.835 103 1HG GLN 13 1HG GLN 13 -5.952 -13.871 -3.234 104 2HG GLN 13 2HG GLN 13 -7.455 -13.003 -2.994 105 1HE2 GLN 13 1HE2 GLN 13 -4.031 -12.708 -3.710 106 2HE2 GLN 13 2HE2 GLN 13 -4.079 -11.162 -4.489 107 H GLU 14 H GLU 14 -4.533 -13.555 0.837 108 HA GLU 14 HA GLU 14 -5.375 -12.194 2.963 109 1HB GLU 14 1HB GLU 14 -3.061 -14.137 2.670 110 2HB GLU 14 2HB GLU 14 -3.518 -13.512 4.242 111 1HG GLU 14 1HG GLU 14 -5.782 -14.530 2.578 112 2HG GLU 14 2HG GLU 14 -4.631 -15.748 3.090 113 HE2 GLU 14 HE GLU 14 -4.051 -15.440 5.445 114 H MET 15 H MET 15 -2.227 -11.810 1.286 115 HA MET 15 HA MET 15 -1.187 -10.086 3.272 116 1HB MET 15 1HB MET 15 -0.214 -11.521 1.056 117 2HB MET 15 2HB MET 15 -0.084 -9.859 0.517 118 1HG MET 15 1HG MET 15 1.780 -9.589 1.783 119 2HG MET 15 2HG MET 15 0.853 -9.920 3.232 120 1HE MET 15 1HE MET 15 3.967 -10.640 2.151 121 2HE MET 15 2HE MET 15 3.504 -10.781 3.864 122 3HE MET 15 3HE MET 15 4.241 -12.167 3.025 123 H GLN 16 H GLN 16 -2.900 -9.690 0.139 124 HA GLN 16 HA GLN 16 -2.448 -6.953 -0.076 125 1HB GLN 16 1HB GLN 16 -3.332 -8.689 -1.824 126 2HB GLN 16 2HB GLN 16 -4.914 -8.354 -1.153 127 1HG GLN 16 1HG GLN 16 -3.252 -5.953 -1.821 128 2HG GLN 16 2HG GLN 16 -3.795 -6.906 -3.188 129 1HE2 GLN 16 1HE2 GLN 16 -5.259 -5.506 -3.987 130 2HE2 GLN 16 2HE2 GLN 16 -6.727 -5.041 -3.196 131 H LYS 17 H LYS 17 -4.889 -8.914 1.645 132 HA LYS 17 HA LYS 17 -6.555 -6.668 2.230 133 1HB LYS 17 1HB LYS 17 -7.931 -8.199 3.355 134 2HB LYS 17 2HB LYS 17 -7.275 -9.099 2.003 135 1HG LYS 17 1HG LYS 17 -5.744 -10.306 3.383 136 2HG LYS 17 2HG LYS 17 -5.869 -9.149 4.693 137 1HD LYS 17 1HD LYS 17 -8.512 -10.216 4.104 138 2HD LYS 17 2HD LYS 17 -7.390 -11.544 4.323 139 1HE LYS 17 1HE LYS 17 -6.885 -9.513 6.351 140 2HE LYS 17 2HE LYS 17 -8.590 -9.922 6.351 141 1HZ LYS 17 1HZ LYS 17 -7.665 -12.353 6.274 142 2HZ LYS 17 2HZ LYS 17 -6.302 -11.692 6.870 143 H GLU 18 H GLU 18 -3.885 -8.456 3.817 144 HA GLU 18 HA GLU 18 -4.219 -7.191 6.292 145 1HB GLU 18 1HB GLU 18 -2.927 -9.361 5.716 146 2HB GLU 18 2HB GLU 18 -1.608 -8.321 5.218 147 1HG GLU 18 1HG GLU 18 -1.281 -8.992 7.559 148 2HG GLU 18 2HG GLU 18 -1.575 -7.266 7.482 149 HE2 GLU 18 HE GLU 18 -2.405 -7.316 9.579 150 H ILE 19 H ILE 19 -2.203 -6.516 3.377 151 HA ILE 19 HA ILE 19 -0.893 -4.300 4.604 152 HB ILE 19 HB ILE 19 0.199 -4.027 2.553 153 1HG1 ILE 19 1HG1 ILE 19 -2.097 -5.544 1.292 154 2HG1 ILE 19 2HG1 ILE 19 -1.656 -3.868 1.037 155 1HG2 ILE 19 1HG2 ILE 19 1.318 -5.884 3.028 156 2HG2 ILE 19 2HG2 ILE 19 -0.145 -6.678 3.657 157 3HG2 ILE 19 3HG2 ILE 19 0.231 -6.754 1.919 158 1HD1 ILE 19 1HD1 ILE 19 -0.480 -4.637 -0.757 159 2HD1 ILE 19 2HD1 ILE 19 0.721 -5.182 0.438 160 3HD1 ILE 19 3HD1 ILE 19 -0.513 -6.315 -0.164 161 H ALA 20 H ALA 20 -3.792 -4.827 2.573 162 HA ALA 20 HA ALA 20 -4.216 -2.140 1.910 163 1HB ALA 20 1HB ALA 20 -5.989 -4.591 2.132 164 2HB ALA 20 2HB ALA 20 -6.622 -3.010 1.616 165 3HB ALA 20 3HB ALA 20 -5.351 -3.813 0.664 166 H LEU 21 H LEU 21 -4.965 -4.116 4.794 167 HA LEU 21 HA LEU 21 -6.714 -2.183 5.929 168 1HB LEU 21 1HB LEU 21 -7.017 -4.427 6.552 169 2HB LEU 21 2HB LEU 21 -5.322 -4.651 6.934 170 HG LEU 21 HG LEU 21 -6.379 -2.562 8.605 171 1HD1 LEU 21 1HD1 LEU 21 -8.521 -3.212 8.786 172 2HD1 LEU 21 2HD1 LEU 21 -8.199 -4.837 8.133 173 3HD1 LEU 21 3HD1 LEU 21 -7.855 -4.479 9.844 174 1HD2 LEU 21 1HD2 LEU 21 -4.953 -5.147 8.865 175 2HD2 LEU 21 2HD2 LEU 21 -4.597 -3.554 9.574 176 3HD2 LEU 21 3HD2 LEU 21 -5.849 -4.590 10.299 177 H ILE 22 H ILE 22 -3.320 -3.224 6.729 178 HA ILE 22 HA ILE 22 -2.896 -1.148 8.546 179 HB ILE 22 HB ILE 22 -0.900 -2.709 6.902 180 1HG1 ILE 22 1HG1 ILE 22 -1.660 -3.373 9.729 181 2HG1 ILE 22 2HG1 ILE 22 -2.689 -3.913 8.418 182 1HG2 ILE 22 1HG2 ILE 22 0.760 -2.072 8.434 183 2HG2 ILE 22 2HG2 ILE 22 -0.123 -0.569 8.069 184 3HG2 ILE 22 3HG2 ILE 22 -0.428 -1.433 9.596 185 1HD1 ILE 22 1HD1 ILE 22 0.204 -4.623 8.967 186 2HD1 ILE 22 2HD1 ILE 22 -1.175 -5.705 8.653 187 3HD1 ILE 22 3HD1 ILE 22 -0.454 -4.771 7.320 188 H LEU 23 H LEU 23 -3.112 -1.185 5.078 189 HA LEU 23 HA LEU 23 -1.503 1.195 4.772 190 1HB LEU 23 1HB LEU 23 -1.359 -0.469 3.067 191 2HB LEU 23 2HB LEU 23 -3.099 -0.514 2.868 192 HG LEU 23 HG LEU 23 -1.700 2.084 2.376 193 1HD1 LEU 23 1HD1 LEU 23 -0.597 -0.098 1.218 194 2HD1 LEU 23 2HD1 LEU 23 -1.860 0.294 0.028 195 3HD1 LEU 23 3HD1 LEU 23 -0.644 1.516 0.470 196 1HD2 LEU 23 1HD2 LEU 23 -3.584 2.653 1.295 197 2HD2 LEU 23 2HD2 LEU 23 -3.743 1.060 0.514 198 3HD2 LEU 23 3HD2 LEU 23 -4.297 1.290 2.190 199 H GLN 24 H GLN 24 -4.768 0.317 5.564 200 HA GLN 24 HA GLN 24 -5.604 3.026 4.876 201 1HB GLN 24 1HB GLN 24 -7.045 0.384 4.922 202 2HB GLN 24 2HB GLN 24 -7.970 1.820 5.315 203 1HG GLN 24 1HG GLN 24 -7.852 2.659 3.168 204 2HG GLN 24 2HG GLN 24 -6.213 2.090 2.918 205 1HE2 GLN 24 1HE2 GLN 24 -9.586 1.395 2.674 206 2HE2 GLN 24 2HE2 GLN 24 -9.488 -0.101 1.804 207 H ARG 25 H ARG 25 -4.596 1.022 7.412 208 HA ARG 25 HA ARG 25 -6.255 2.474 9.306 209 1HB ARG 25 1HB ARG 25 -4.960 -0.245 9.313 210 2HB ARG 25 2HB ARG 25 -5.061 0.579 10.857 211 1HG ARG 25 1HG ARG 25 -7.609 0.918 9.591 212 2HG ARG 25 2HG ARG 25 -7.168 -0.764 9.371 213 1HD ARG 25 1HD ARG 25 -6.667 0.348 12.107 214 2HD ARG 25 2HD ARG 25 -8.353 0.212 11.646 215 HE ARG 25 HE ARG 25 -6.910 -2.213 10.986 216 1HH1 ARG 25 2HH2 ARG 25 -8.375 -0.477 13.704 217 2HH1 ARG 25 1HH2 ARG 25 -8.646 -1.911 14.636 218 1HH2 ARG 25 1HH ARG 25 -7.985 -4.035 13.741 219 H GLU 26 H GLU 26 -2.908 1.041 9.048 220 HA GLU 26 HA GLU 26 -1.856 2.717 11.003 221 1HB GLU 26 1HB GLU 26 -0.056 1.368 10.750 222 2HB GLU 26 2HB GLU 26 -0.994 0.496 9.553 223 1HG GLU 26 1HG GLU 26 0.995 1.046 8.389 224 2HG GLU 26 2HG GLU 26 -0.140 2.264 7.842 225 HE2 GLU 26 HE GLU 26 1.276 3.508 11.037 226 H ILE 27 H ILE 27 -2.663 3.228 7.651 227 HA ILE 27 HA ILE 27 -0.766 5.336 7.237 228 HB ILE 27 HB ILE 27 -2.074 3.672 5.590 229 1HG1 ILE 27 1HG1 ILE 27 -0.858 6.387 5.132 230 2HG1 ILE 27 2HG1 ILE 27 -0.179 4.802 4.816 231 1HG2 ILE 27 1HG2 ILE 27 -3.746 4.965 4.306 232 2HG2 ILE 27 2HG2 ILE 27 -4.271 4.602 5.968 233 3HG2 ILE 27 3HG2 ILE 27 -3.691 6.234 5.553 234 1HD1 ILE 27 1HD1 ILE 27 -2.254 6.327 3.230 235 2HD1 ILE 27 2HD1 ILE 27 -0.785 5.498 2.659 236 3HD1 ILE 27 3HD1 ILE 27 -2.213 4.550 3.140 237 H LYS 28 H LYS 28 -1.966 7.488 6.246 238 HA LYS 28 HA LYS 28 -3.585 8.408 8.505 239 1HB LYS 28 1HB LYS 28 -2.843 10.649 7.891 240 2HB LYS 28 2HB LYS 28 -1.477 9.588 8.169 241 1HG LYS 28 1HG LYS 28 -2.314 9.473 5.363 242 2HG LYS 28 2HG LYS 28 -1.998 11.129 5.844 243 1HD LYS 28 1HD LYS 28 0.260 10.672 6.425 244 2HD LYS 28 2HD LYS 28 -0.026 8.951 6.596 245 1HE LYS 28 1HE LYS 28 1.127 9.136 4.522 246 2HE LYS 28 2HE LYS 28 -0.551 8.937 4.054 247 1HZ LYS 28 1HZ LYS 28 -0.222 10.838 2.905 248 2HZ LYS 28 2HZ LYS 28 -0.299 11.635 4.322 249 H ASP 29 H ASP 29 -5.440 7.186 7.512 250 HA ASP 29 HA ASP 29 -6.391 8.241 5.038 251 1HB ASP 29 1HB ASP 29 -7.213 6.116 5.092 252 2HB ASP 29 2HB ASP 29 -6.979 5.986 6.823 253 HD2 ASP 29 HD ASP 29 -9.093 7.696 4.677 254 HA PRO 30 HA PRO 30 -9.479 9.959 8.274 255 1HB PRO 30 1HB PRO 30 -8.781 9.919 10.916 256 2HB PRO 30 2HB PRO 30 -9.795 8.699 10.174 257 1HG PRO 30 1HG PRO 30 -6.958 8.510 10.980 258 2HG PRO 30 2HG PRO 30 -8.091 7.217 10.642 259 1HD PRO 30 1HD PRO 30 -5.995 8.154 8.923 260 2HD PRO 30 2HD PRO 30 -7.201 6.942 8.541 261 H ARG 31 H ARG 31 -6.109 10.443 8.499 262 HA ARG 31 HA ARG 31 -6.411 13.068 9.545 263 1HB ARG 31 1HB ARG 31 -3.873 12.251 8.155 264 2HB ARG 31 2HB ARG 31 -4.078 13.081 9.684 265 1HG ARG 31 1HG ARG 31 -5.091 10.796 10.524 266 2HG ARG 31 2HG ARG 31 -4.317 10.110 9.110 267 1HD ARG 31 1HD ARG 31 -2.182 10.413 9.952 268 2HD ARG 31 2HD ARG 31 -2.587 11.926 10.738 269 HE ARG 31 HE ARG 31 -4.016 10.074 12.211 270 1HH1 ARG 31 2HH2 ARG 31 -0.608 10.312 11.271 271 2HH1 ARG 31 1HH2 ARG 31 -0.035 9.475 12.675 272 1HH2 ARG 31 1HH ARG 31 -1.611 8.694 14.302 273 H LEU 32 H LEU 32 -6.691 11.545 6.460 274 HA LEU 32 HA LEU 32 -6.191 14.099 5.101 275 1HB LEU 32 1HB LEU 32 -5.909 11.240 4.234 276 2HB LEU 32 2HB LEU 32 -6.160 12.507 3.051 277 HG LEU 32 HG LEU 32 -4.096 13.512 3.476 278 1HD1 LEU 32 1HD1 LEU 32 -3.980 11.971 6.083 279 2HD1 LEU 32 2HD1 LEU 32 -2.666 12.980 5.432 280 3HD1 LEU 32 3HD1 LEU 32 -4.222 13.723 5.875 281 1HD2 LEU 32 1HD2 LEU 32 -2.655 11.911 2.781 282 2HD2 LEU 32 2HD2 LEU 32 -3.118 10.770 4.067 283 3HD2 LEU 32 3HD2 LEU 32 -4.156 10.965 2.634 284 H GLY 33 H GLY 33 -8.616 12.854 6.671 285 1HA GLY 33 1HA GLY 33 -10.850 12.547 6.352 286 2HA GLY 33 2HA GLY 33 -10.686 14.113 5.582 287 H MET 34 H MET 34 -9.311 11.002 4.387 288 HA MET 34 HA MET 34 -11.393 10.828 2.415 289 1HB MET 34 1HB MET 34 -8.457 11.421 1.781 290 2HB MET 34 2HB MET 34 -9.516 10.692 0.590 291 1HG MET 34 1HG MET 34 -11.099 12.653 0.857 292 2HG MET 34 2HG MET 34 -9.953 13.392 1.958 293 1HE MET 34 1HE MET 34 -6.795 13.027 -0.015 294 2HE MET 34 2HE MET 34 -7.263 14.696 0.388 295 3HE MET 34 3HE MET 34 -7.597 13.377 1.535 296 H MET 35 H MET 35 -11.308 8.757 1.193 297 HA MET 35 HA MET 35 -9.919 6.768 2.795 298 1HB MET 35 1HB MET 35 -12.570 6.976 1.892 299 2HB MET 35 2HB MET 35 -11.872 5.868 0.728 300 1HG MET 35 1HG MET 35 -10.931 5.071 3.333 301 2HG MET 35 2HG MET 35 -12.658 5.339 3.464 302 1HE MET 35 1HE MET 35 -13.882 3.199 3.518 303 2HE MET 35 2HE MET 35 -13.210 1.678 2.883 304 3HE MET 35 3HE MET 35 -12.302 2.616 4.092 305 H THR 36 H THR 36 -8.272 5.537 1.946 306 HA THR 36 HA THR 36 -7.556 6.069 -0.832 307 HB THR 36 HB THR 36 -5.365 5.391 -0.140 308 HG1 THR 36 HG1 THR 36 -5.207 4.055 1.821 309 1HG2 THR 36 1HG2 THR 36 -4.885 6.587 1.890 310 2HG2 THR 36 2HG2 THR 36 -6.281 7.443 1.191 311 3HG2 THR 36 3HG2 THR 36 -6.518 6.299 2.535 312 H THR 37 H THR 37 -6.669 4.186 -2.131 313 HA THR 37 HA THR 37 -8.147 1.722 -1.548 314 HB THR 37 HB THR 37 -8.342 3.527 -3.988 315 HG1 THR 37 HG1 THR 37 -10.054 3.621 -2.459 316 1HG2 THR 37 1HG2 THR 37 -9.521 1.627 -5.130 317 2HG2 THR 37 2HG2 THR 37 -7.791 1.276 -4.902 318 3HG2 THR 37 3HG2 THR 37 -8.998 0.538 -3.822 319 H VAL 38 H VAL 38 -7.379 -0.126 -2.955 320 HA VAL 38 HA VAL 38 -4.538 0.253 -3.595 321 HB VAL 38 HB VAL 38 -5.817 -2.065 -2.130 322 1HG1 VAL 38 1HG1 VAL 38 -3.931 -3.284 -2.395 323 2HG1 VAL 38 2HG1 VAL 38 -3.697 -2.252 -3.826 324 3HG1 VAL 38 3HG1 VAL 38 -2.868 -1.860 -2.300 325 1HG2 VAL 38 1HG2 VAL 38 -4.986 0.387 -1.112 326 2HG2 VAL 38 2HG2 VAL 38 -5.214 -1.119 -0.192 327 3HG2 VAL 38 3HG2 VAL 38 -3.601 -0.690 -0.812 328 H SER 39 H SER 39 -5.287 0.575 -5.814 329 HA SER 39 HA SER 39 -6.602 -1.702 -6.986 330 1HB SER 39 1HB SER 39 -6.571 1.085 -7.505 331 2HB SER 39 2HB SER 39 -5.758 0.360 -8.877 332 HG SER 39 HG SER 39 -8.428 0.391 -8.290 333 H GLY 40 H GLY 40 -3.906 -2.079 -5.910 334 1HA GLY 40 1HA GLY 40 -2.695 -3.422 -8.059 335 2HA GLY 40 2HA GLY 40 -1.895 -1.877 -7.852 336 H VAL 41 H VAL 41 -1.242 -4.896 -7.220 337 HA VAL 41 HA VAL 41 0.181 -4.276 -4.801 338 HB VAL 41 HB VAL 41 -1.861 -4.936 -3.792 339 1HG1 VAL 41 1HG1 VAL 41 -2.015 -6.790 -6.057 340 2HG1 VAL 41 2HG1 VAL 41 -2.440 -7.549 -4.504 341 3HG1 VAL 41 3HG1 VAL 41 -3.310 -6.095 -5.051 342 1HG2 VAL 41 1HG2 VAL 41 -1.150 -7.325 -2.896 343 2HG2 VAL 41 2HG2 VAL 41 0.358 -6.951 -3.764 344 3HG2 VAL 41 3HG2 VAL 41 -0.219 -5.867 -2.476 345 H GLU 42 H GLU 42 2.139 -5.321 -4.802 346 HA GLU 42 HA GLU 42 2.359 -7.688 -6.448 347 1HB GLU 42 1HB GLU 42 4.162 -5.249 -6.779 348 2HB GLU 42 2HB GLU 42 4.427 -6.800 -7.548 349 1HG GLU 42 1HG GLU 42 1.814 -5.277 -7.899 350 2HG GLU 42 2HG GLU 42 3.199 -4.967 -8.927 351 HE2 GLU 42 HE GLU 42 3.133 -6.158 -10.698 352 H MET 43 H MET 43 3.570 -9.240 -5.421 353 HA MET 43 HA MET 43 5.445 -8.287 -3.408 354 1HB MET 43 1HB MET 43 4.002 -10.860 -2.852 355 2HB MET 43 2HB MET 43 4.475 -9.598 -1.732 356 1HG MET 43 1HG MET 43 2.140 -9.347 -1.738 357 2HG MET 43 2HG MET 43 2.609 -8.162 -2.941 358 1HE MET 43 1HE MET 43 -0.706 -10.349 -3.528 359 2HE MET 43 2HE MET 43 0.015 -9.077 -2.514 360 3HE MET 43 3HE MET 43 -0.330 -8.757 -4.230 361 H SER 44 H SER 44 7.417 -8.881 -4.227 362 HA SER 44 HA SER 44 7.546 -11.522 -5.452 363 1HB SER 44 1HB SER 44 8.482 -8.975 -6.332 364 2HB SER 44 2HB SER 44 9.914 -9.898 -5.915 365 HG SER 44 HG SER 44 8.462 -11.647 -7.235 366 H ARG 45 H ARG 45 8.267 -13.010 -3.964 367 HA ARG 45 HA ARG 45 10.176 -12.065 -2.004 368 1HB ARG 45 1HB ARG 45 8.287 -14.439 -2.157 369 2HB ARG 45 2HB ARG 45 9.652 -14.496 -1.059 370 1HG ARG 45 1HG ARG 45 8.361 -13.365 0.431 371 2HG ARG 45 2HG ARG 45 8.574 -11.953 -0.583 372 1HD ARG 45 1HD ARG 45 6.167 -12.364 -0.172 373 2HD ARG 45 2HD ARG 45 6.532 -12.541 -1.877 374 HE ARG 45 HE ARG 45 5.962 -14.762 0.029 375 1HH1 ARG 45 2HH2 ARG 45 6.627 -13.714 -3.289 376 2HH1 ARG 45 1HH2 ARG 45 6.124 -15.213 -3.996 377 1HH2 ARG 45 1HH ARG 45 5.347 -16.978 -2.573 378 H ASP 46 H ASP 46 10.112 -13.511 -5.042 379 HA ASP 46 HA ASP 46 11.727 -15.686 -4.862 380 1HB ASP 46 1HB ASP 46 10.940 -13.731 -6.910 381 2HB ASP 46 2HB ASP 46 12.573 -14.301 -7.186 382 HD2 ASP 46 HD ASP 46 10.611 -14.869 -8.930 383 H LEU 47 H LEU 47 12.406 -12.325 -4.217 384 HA LEU 47 HA LEU 47 15.210 -12.974 -3.811 385 1HB LEU 47 1HB LEU 47 14.207 -11.288 -5.956 386 2HB LEU 47 2HB LEU 47 15.285 -10.410 -4.891 387 HG LEU 47 HG LEU 47 16.596 -12.842 -5.352 388 1HD1 LEU 47 1HD1 LEU 47 16.707 -12.830 -7.887 389 2HD1 LEU 47 2HD1 LEU 47 15.227 -13.499 -7.161 390 3HD1 LEU 47 3HD1 LEU 47 15.216 -11.859 -7.853 391 1HD2 LEU 47 1HD2 LEU 47 16.943 -10.031 -6.382 392 2HD2 LEU 47 2HD2 LEU 47 17.858 -10.892 -5.120 393 3HD2 LEU 47 3HD2 LEU 47 18.066 -11.337 -6.831 394 H ALA 48 H ALA 48 13.125 -9.998 -3.838 395 HA ALA 48 HA ALA 48 12.409 -9.783 -1.293 396 1HB ALA 48 1HB ALA 48 14.470 -8.315 -0.430 397 2HB ALA 48 2HB ALA 48 14.421 -10.080 -0.202 398 3HB ALA 48 3HB ALA 48 15.372 -9.381 -1.534 399 H TYR 49 H TYR 49 11.192 -8.818 -3.346 400 HA TYR 49 HA TYR 49 11.403 -5.961 -3.034 401 1HB TYR 49 1HB TYR 49 11.719 -5.634 -5.491 402 2HB TYR 49 2HB TYR 49 13.039 -6.612 -4.879 403 HD1 TYR 49 HD1 TYR 49 9.997 -6.602 -6.941 404 HD2 TYR 49 HD2 TYR 49 13.224 -8.985 -5.455 405 HE1 TYR 49 HE1 TYR 49 9.462 -8.405 -8.652 406 HE2 TYR 49 HE2 TYR 49 12.680 -10.779 -7.171 407 HH TYR 49 HH TYR 49 9.830 -10.499 -9.230 408 H ALA 50 H ALA 50 9.400 -5.017 -3.194 409 HA ALA 50 HA ALA 50 7.327 -6.497 -4.621 410 1HB ALA 50 1HB ALA 50 7.287 -5.677 -1.698 411 2HB ALA 50 2HB ALA 50 5.802 -6.007 -2.623 412 3HB ALA 50 3HB ALA 50 7.011 -7.292 -2.394 413 H LYS 51 H LYS 51 5.318 -5.066 -4.885 414 HA LYS 51 HA LYS 51 5.920 -2.233 -4.682 415 1HB LYS 51 1HB LYS 51 4.856 -2.805 -7.322 416 2HB LYS 51 2HB LYS 51 6.228 -1.820 -6.853 417 1HG LYS 51 1HG LYS 51 7.624 -3.894 -6.620 418 2HG LYS 51 2HG LYS 51 6.253 -4.865 -7.117 419 1HD LYS 51 1HD LYS 51 7.105 -4.608 -9.224 420 2HD LYS 51 2HD LYS 51 6.326 -3.039 -9.173 421 1HE LYS 51 1HE LYS 51 8.320 -1.926 -9.090 422 2HE LYS 51 2HE LYS 51 8.961 -2.990 -7.853 423 1HZ LYS 51 1HZ LYS 51 8.938 -3.500 -10.774 424 2HZ LYS 51 2HZ LYS 51 10.245 -3.333 -9.818 425 H VAL 52 H VAL 52 4.210 -1.430 -3.597 426 HA VAL 52 HA VAL 52 1.608 -2.683 -4.123 427 HB VAL 52 HB VAL 52 2.593 -2.819 -1.821 428 1HG1 VAL 52 1HG1 VAL 52 1.991 -0.430 -0.636 429 2HG1 VAL 52 2HG1 VAL 52 3.625 -0.935 -1.130 430 3HG1 VAL 52 3HG1 VAL 52 2.656 0.110 -2.197 431 1HG2 VAL 52 1HG2 VAL 52 0.504 -2.316 -0.685 432 2HG2 VAL 52 2HG2 VAL 52 -0.009 -1.268 -2.029 433 3HG2 VAL 52 3HG2 VAL 52 0.164 -3.021 -2.283 434 H TYR 53 H TYR 53 -0.213 -1.348 -4.548 435 HA TYR 53 HA TYR 53 0.537 1.385 -5.338 436 1HB TYR 53 1HB TYR 53 -0.629 -0.852 -6.689 437 2HB TYR 53 2HB TYR 53 -1.995 0.190 -6.344 438 HD1 TYR 53 HD1 TYR 53 -0.176 2.794 -6.534 439 HD2 TYR 53 HD2 TYR 53 -0.888 -0.553 -9.101 440 HE1 TYR 53 HE1 TYR 53 0.401 4.216 -8.561 441 HE2 TYR 53 HE2 TYR 53 -0.308 0.880 -11.119 442 HH TYR 53 HH TYR 53 1.267 3.801 -10.861 443 H VAL 54 H VAL 54 -0.757 3.125 -4.702 444 HA VAL 54 HA VAL 54 -3.164 2.513 -3.188 445 HB VAL 54 HB VAL 54 -1.703 4.530 -1.783 446 1HG1 VAL 54 1HG1 VAL 54 -2.667 1.743 -1.064 447 2HG1 VAL 54 2HG1 VAL 54 -2.007 2.906 0.111 448 3HG1 VAL 54 3HG1 VAL 54 -3.499 3.291 -0.778 449 1HG2 VAL 54 1HG2 VAL 54 0.111 3.003 -0.872 450 2HG2 VAL 54 2HG2 VAL 54 -0.187 1.954 -2.279 451 3HG2 VAL 54 3HG2 VAL 54 0.372 3.626 -2.519 452 H THR 55 H THR 55 -4.763 3.827 -3.897 453 HA THR 55 HA THR 55 -3.931 6.333 -5.202 454 HB THR 55 HB THR 55 -5.006 5.230 -6.933 455 HG1 THR 55 HG1 THR 55 -7.322 5.768 -5.226 456 1HG2 THR 55 1HG2 THR 55 -6.501 3.707 -4.743 457 2HG2 THR 55 2HG2 THR 55 -6.943 3.592 -6.464 458 3HG2 THR 55 3HG2 THR 55 -5.338 3.048 -5.918 459 H PHE 56 H PHE 56 -4.623 8.249 -4.434 460 HA PHE 56 HA PHE 56 -6.688 8.111 -2.351 461 1HB PHE 56 1HB PHE 56 -4.370 10.109 -2.587 462 2HB PHE 56 2HB PHE 56 -5.383 9.844 -1.182 463 HD1 PHE 56 HD1 PHE 56 -4.654 8.429 0.509 464 HD2 PHE 56 HD2 PHE 56 -2.909 8.088 -3.344 465 HE1 PHE 56 HE1 PHE 56 -2.976 6.795 1.413 466 HE2 PHE 56 HE2 PHE 56 -1.231 6.456 -2.440 467 HZ PHE 56 HZ PHE 56 -1.284 5.829 -0.072 468 H LEU 57 H LEU 57 -7.711 10.378 -1.974 469 HA LEU 57 HA LEU 57 -8.226 11.510 -4.627 470 1HB LEU 57 1HB LEU 57 -10.093 10.445 -3.355 471 2HB LEU 57 2HB LEU 57 -9.906 11.677 -2.122 472 HG LEU 57 HG LEU 57 -10.261 13.358 -4.095 473 1HD1 LEU 57 1HD1 LEU 57 -10.121 11.787 -5.926 474 2HD1 LEU 57 2HD1 LEU 57 -11.461 10.828 -5.253 475 3HD1 LEU 57 3HD1 LEU 57 -11.762 12.476 -5.855 476 1HD2 LEU 57 1HD2 LEU 57 -12.870 12.172 -3.659 477 2HD2 LEU 57 2HD2 LEU 57 -11.919 12.218 -2.156 478 3HD2 LEU 57 3HD2 LEU 57 -12.202 13.715 -3.076 479 H ASN 58 H ASN 58 -5.939 12.025 -2.579 480 HA ASN 58 HA ASN 58 -6.316 14.454 -1.392 481 1HB ASN 58 1HB ASN 58 -4.062 12.727 -2.136 482 2HB ASN 58 2HB ASN 58 -3.618 14.412 -2.321 483 1HD2 ASN 58 1HD2 ASN 58 -5.109 15.637 -0.384 484 2HD2 ASN 58 2HD2 ASN 58 -4.598 15.143 1.195 485 H ASP 59 H ASP 59 -5.769 13.534 -4.773 486 HA ASP 59 HA ASP 59 -4.604 15.598 -5.926 487 1HB ASP 59 1HB ASP 59 -5.420 13.855 -7.327 488 2HB ASP 59 2HB ASP 59 -7.058 14.011 -6.727 489 HD2 ASP 59 HD ASP 59 -4.869 16.331 -8.190 490 H LYS 60 H LYS 60 -7.903 15.485 -4.517 491 HA LYS 60 HA LYS 60 -9.138 17.630 -5.554 492 1HB LYS 60 1HB LYS 60 -9.159 16.244 -2.949 493 2HB LYS 60 2HB LYS 60 -9.772 17.885 -2.896 494 1HG LYS 60 1HG LYS 60 -10.893 16.798 -5.254 495 2HG LYS 60 2HG LYS 60 -10.981 15.489 -4.091 496 1HD LYS 60 1HD LYS 60 -11.922 18.321 -3.453 497 2HD LYS 60 2HD LYS 60 -12.984 17.102 -4.131 498 1HE LYS 60 1HE LYS 60 -12.566 15.614 -2.188 499 2HE LYS 60 2HE LYS 60 -11.424 16.764 -1.524 500 1HZ LYS 60 1HZ LYS 60 -13.581 18.320 -1.834 501 2HZ LYS 60 2HZ LYS 60 -14.323 16.900 -1.544 502 H ASP 61 H ASP 61 -6.498 17.657 -3.100 503 HA ASP 61 HA ASP 61 -6.268 20.506 -3.671 504 1HB ASP 61 1HB ASP 61 -5.303 19.458 -1.031 505 2HB ASP 61 2HB ASP 61 -5.975 21.028 -1.419 506 HD2 ASP 61 HD ASP 61 -7.989 18.206 0.242 507 H GLU 62 H GLU 62 -4.251 20.920 -4.588 508 HA GLU 62 HA GLU 62 -2.354 18.882 -4.787 509 1HB GLU 62 1HB GLU 62 -2.828 20.964 -6.320 510 2HB GLU 62 2HB GLU 62 -1.730 21.810 -5.251 511 1HG GLU 62 1HG GLU 62 -0.481 19.308 -5.884 512 2HG GLU 62 2HG GLU 62 -1.106 19.948 -7.391 513 HE2 GLU 62 HE GLU 62 2.213 21.430 -6.173 514 H ASP 63 H ASP 63 -3.063 21.200 -2.311 515 HA ASP 63 HA ASP 63 -0.410 21.427 -1.350 516 1HB ASP 63 1HB ASP 63 -2.872 22.714 -0.903 517 2HB ASP 63 2HB ASP 63 -2.571 21.885 0.610 518 HD2 ASP 63 HD ASP 63 -1.704 23.195 1.938 519 H ALA 64 H ALA 64 -3.375 19.496 -0.649 520 HA ALA 64 HA ALA 64 -2.179 18.204 1.625 521 1HB ALA 64 1HB ALA 64 -4.301 17.031 1.749 522 2HB ALA 64 2HB ALA 64 -4.623 18.750 1.411 523 3HB ALA 64 3HB ALA 64 -4.731 17.549 0.101 524 H VAL 65 H VAL 65 -2.345 17.785 -1.859 525 HA VAL 65 HA VAL 65 -1.830 14.974 -1.797 526 HB VAL 65 HB VAL 65 -2.874 16.658 -3.609 527 1HG1 VAL 65 1HG1 VAL 65 -1.378 17.073 -5.443 528 2HG1 VAL 65 2HG1 VAL 65 -0.634 17.736 -3.968 529 3HG1 VAL 65 3HG1 VAL 65 -0.058 16.191 -4.638 530 1HG2 VAL 65 1HG2 VAL 65 -3.359 14.616 -4.370 531 2HG2 VAL 65 2HG2 VAL 65 -1.784 14.610 -5.200 532 3HG2 VAL 65 3HG2 VAL 65 -1.933 13.917 -3.566 533 H LYS 66 H LYS 66 0.080 18.006 -2.189 534 HA LYS 66 HA LYS 66 2.508 16.613 -2.665 535 1HB LYS 66 1HB LYS 66 1.827 19.016 -3.330 536 2HB LYS 66 2HB LYS 66 2.267 19.460 -1.694 537 1HG LYS 66 1HG LYS 66 4.549 18.734 -1.994 538 2HG LYS 66 2HG LYS 66 4.163 17.872 -3.470 539 1HD LYS 66 1HD LYS 66 3.527 20.113 -4.520 540 2HD LYS 66 2HD LYS 66 4.127 20.900 -3.073 541 1HE LYS 66 1HE LYS 66 6.343 19.567 -3.505 542 2HE LYS 66 2HE LYS 66 5.700 19.277 -5.109 543 1HZ LYS 66 1HZ LYS 66 5.392 21.795 -5.211 544 2HZ LYS 66 2HZ LYS 66 6.339 21.896 -3.891 545 H ALA 67 H ALA 67 1.188 18.435 0.191 546 HA ALA 67 HA ALA 67 3.288 17.684 1.890 547 1HB ALA 67 1HB ALA 67 1.395 19.539 2.021 548 2HB ALA 67 2HB ALA 67 0.517 18.268 2.906 549 3HB ALA 67 3HB ALA 67 2.091 18.845 3.504 550 H GLY 68 H GLY 68 -0.092 16.402 1.511 551 1HA GLY 68 1HA GLY 68 -0.067 14.415 3.378 552 2HA GLY 68 2HA GLY 68 -0.908 14.328 1.844 553 H ILE 69 H ILE 69 0.784 13.940 -0.133 554 HA ILE 69 HA ILE 69 1.676 11.355 0.130 555 HB ILE 69 HB ILE 69 1.215 12.855 -1.930 556 1HG1 ILE 69 1HG1 ILE 69 3.424 10.777 -1.916 557 2HG1 ILE 69 2HG1 ILE 69 1.704 10.453 -2.005 558 1HG2 ILE 69 1HG2 ILE 69 2.824 14.567 -1.678 559 2HG2 ILE 69 2HG2 ILE 69 4.143 13.400 -1.423 560 3HG2 ILE 69 3HG2 ILE 69 3.390 13.554 -3.029 561 1HD1 ILE 69 1HD1 ILE 69 1.691 11.978 -4.110 562 2HD1 ILE 69 2HD1 ILE 69 3.464 11.817 -4.074 563 3HD1 ILE 69 3HD1 ILE 69 2.442 10.371 -4.267 564 H LYS 70 H LYS 70 3.343 14.453 0.786 565 HA LYS 70 HA LYS 70 5.921 13.412 1.000 566 1HB LYS 70 1HB LYS 70 4.606 15.908 1.346 567 2HB LYS 70 2HB LYS 70 5.513 15.606 2.815 568 1HG LYS 70 1HG LYS 70 7.313 16.392 1.653 569 2HG LYS 70 2HG LYS 70 7.340 14.813 0.895 570 1HD LYS 70 1HD LYS 70 5.499 15.965 -0.713 571 2HD LYS 70 2HD LYS 70 6.312 17.426 -0.192 572 1HE LYS 70 1HE LYS 70 8.195 15.265 -0.944 573 2HE LYS 70 2HE LYS 70 7.149 15.749 -2.265 574 1HZ LYS 70 1HZ LYS 70 8.724 17.673 -0.638 575 2HZ LYS 70 2HZ LYS 70 9.202 17.109 -2.090 576 H ALA 71 H ALA 71 3.149 13.502 3.252 577 HA ALA 71 HA ALA 71 4.679 12.697 5.508 578 1HB ALA 71 1HB ALA 71 1.713 12.239 5.211 579 2HB ALA 71 2HB ALA 71 2.640 12.767 6.636 580 3HB ALA 71 3HB ALA 71 2.345 13.901 5.295 581 H LEU 72 H LEU 72 2.833 11.064 2.904 582 HA LEU 72 HA LEU 72 2.990 8.505 4.142 583 1HB LEU 72 1HB LEU 72 1.266 9.354 2.482 584 2HB LEU 72 2HB LEU 72 2.476 9.122 1.237 585 HG LEU 72 HG LEU 72 2.610 6.701 1.918 586 1HD1 LEU 72 1HD1 LEU 72 0.017 7.162 3.389 587 2HD1 LEU 72 2HD1 LEU 72 1.050 5.712 3.361 588 3HD1 LEU 72 3HD1 LEU 72 1.592 7.175 4.218 589 1HD2 LEU 72 1HD2 LEU 72 1.393 7.335 -0.059 590 2HD2 LEU 72 2HD2 LEU 72 0.481 6.074 0.805 591 3HD2 LEU 72 3HD2 LEU 72 -0.036 7.774 0.909 592 H GLN 73 H GLN 73 5.125 10.522 2.222 593 HA GLN 73 HA GLN 73 6.669 8.361 1.245 594 1HB GLN 73 1HB GLN 73 6.569 11.248 0.948 595 2HB GLN 73 2HB GLN 73 8.222 10.759 1.265 596 1HG GLN 73 1HG GLN 73 8.038 9.039 -0.571 597 2HG GLN 73 2HG GLN 73 6.413 9.600 -0.909 598 1HE2 GLN 73 1HE2 GLN 73 7.834 9.729 -2.999 599 2HE2 GLN 73 2HE2 GLN 73 8.456 11.301 -3.378 600 H GLU 74 H GLU 74 6.917 10.714 3.975 601 HA GLU 74 HA GLU 74 9.425 9.781 4.805 602 1HB GLU 74 1HB GLU 74 9.077 11.175 6.761 603 2HB GLU 74 2HB GLU 74 8.449 12.029 5.365 604 1HG GLU 74 1HG GLU 74 6.154 11.431 5.926 605 2HG GLU 74 2HG GLU 74 6.685 10.312 7.166 606 HE2 GLU 74 HE GLU 74 5.446 12.884 8.799 607 H ALA 75 H ALA 75 6.056 8.822 5.452 608 HA ALA 75 HA ALA 75 6.848 7.085 7.623 609 1HB ALA 75 1HB ALA 75 4.670 7.245 8.179 610 2HB ALA 75 2HB ALA 75 4.517 8.448 6.876 611 3HB ALA 75 3HB ALA 75 4.148 6.737 6.555 612 H SER 76 H SER 76 7.585 6.928 4.509 613 HA SER 76 HA SER 76 6.436 4.674 3.487 614 1HB SER 76 1HB SER 76 7.849 6.129 2.140 615 2HB SER 76 2HB SER 76 9.247 5.798 3.145 616 HG SER 76 HG SER 76 9.561 3.879 2.173 617 H GLY 77 H GLY 77 9.834 4.745 4.787 618 1HA GLY 77 1HA GLY 77 10.160 2.037 5.110 619 2HA GLY 77 2HA GLY 77 10.981 3.273 6.043 620 H PHE 78 H PHE 78 8.107 4.225 6.933 621 HA PHE 78 HA PHE 78 8.128 2.709 9.340 622 1HB PHE 78 1HB PHE 78 6.976 5.140 8.151 623 2HB PHE 78 2HB PHE 78 5.714 4.253 8.982 624 HD1 PHE 78 HD1 PHE 78 7.680 6.905 9.449 625 HD2 PHE 78 HD2 PHE 78 6.927 3.179 11.335 626 HE1 PHE 78 HE1 PHE 78 8.450 7.858 11.638 627 HE2 PHE 78 HE2 PHE 78 7.697 4.132 13.525 628 HZ PHE 78 HZ PHE 78 8.449 6.460 13.651 629 H ILE 79 H ILE 79 5.987 2.944 6.440 630 HA ILE 79 HA ILE 79 4.067 1.143 7.504 631 HB ILE 79 HB ILE 79 3.273 1.136 5.106 632 1HG1 ILE 79 1HG1 ILE 79 5.278 3.361 4.703 633 2HG1 ILE 79 2HG1 ILE 79 5.616 1.708 4.226 634 1HG2 ILE 79 1HG2 ILE 79 1.948 2.705 5.939 635 2HG2 ILE 79 2HG2 ILE 79 3.191 3.171 7.125 636 3HG2 ILE 79 3HG2 ILE 79 3.164 3.934 5.517 637 1HD1 ILE 79 1HD1 ILE 79 4.572 2.223 2.271 638 2HD1 ILE 79 2HD1 ILE 79 3.054 2.121 3.194 639 3HD1 ILE 79 3HD1 ILE 79 3.847 3.696 2.958 640 H ARG 80 H ARG 80 6.980 0.883 5.424 641 HA ARG 80 HA ARG 80 6.504 -1.754 4.683 642 1HB ARG 80 1HB ARG 80 8.090 -0.545 3.371 643 2HB ARG 80 2HB ARG 80 8.962 0.028 4.779 644 1HG ARG 80 1HG ARG 80 9.780 -2.273 5.240 645 2HG ARG 80 2HG ARG 80 8.856 -2.892 3.886 646 1HD ARG 80 1HD ARG 80 10.746 -2.544 2.651 647 2HD ARG 80 2HD ARG 80 10.301 -0.849 2.679 648 HE ARG 80 HE ARG 80 11.749 -1.558 5.084 649 1HH1 ARG 80 2HH2 ARG 80 12.222 -0.838 1.647 650 2HH1 ARG 80 1HH2 ARG 80 13.852 -0.292 1.857 651 1HH2 ARG 80 1HH ARG 80 14.818 -0.299 4.050 652 H SER 81 H SER 81 8.453 -0.227 7.330 653 HA SER 81 HA SER 81 9.391 -2.693 8.297 654 1HB SER 81 1HB SER 81 10.529 -0.497 8.672 655 2HB SER 81 2HB SER 81 9.199 0.013 9.693 656 HG SER 81 HG SER 81 10.834 -0.786 11.049 657 H LEU 82 H LEU 82 6.587 -0.566 8.978 658 HA LEU 82 HA LEU 82 5.799 -1.826 11.361 659 1HB LEU 82 1HB LEU 82 5.083 0.397 10.748 660 2HB LEU 82 2HB LEU 82 4.266 -0.211 9.322 661 HG LEU 82 HG LEU 82 3.187 -1.629 11.530 662 1HD1 LEU 82 1HD1 LEU 82 2.910 1.316 12.072 663 2HD1 LEU 82 2HD1 LEU 82 2.556 -0.072 13.129 664 3HD1 LEU 82 3HD1 LEU 82 4.244 0.378 12.787 665 1HD2 LEU 82 1HD2 LEU 82 1.168 -0.957 10.667 666 2HD2 LEU 82 2HD2 LEU 82 1.757 0.671 10.252 667 3HD2 LEU 82 3HD2 LEU 82 2.229 -0.726 9.255 668 H LEU 83 H LEU 83 5.346 -2.561 7.906 669 HA LEU 83 HA LEU 83 3.271 -4.447 8.334 670 1HB LEU 83 1HB LEU 83 5.128 -3.839 6.042 671 2HB LEU 83 2HB LEU 83 3.971 -5.153 5.980 672 HG LEU 83 HG LEU 83 3.019 -2.387 6.663 673 1HD1 LEU 83 1HD1 LEU 83 3.476 -3.369 3.832 674 2HD1 LEU 83 2HD1 LEU 83 2.731 -1.829 4.325 675 3HD1 LEU 83 3HD1 LEU 83 4.451 -2.136 4.666 676 1HD2 LEU 83 1HD2 LEU 83 1.133 -3.474 5.078 677 2HD2 LEU 83 2HD2 LEU 83 1.845 -4.956 5.759 678 3HD2 LEU 83 3HD2 LEU 83 1.192 -3.702 6.842 679 H GLY 84 H GLY 84 6.778 -4.855 7.447 680 1HA GLY 84 1HA GLY 84 7.017 -7.544 7.633 681 2HA GLY 84 2HA GLY 84 8.265 -6.415 8.123 682 H LYS 85 H LYS 85 7.095 -5.179 10.386 683 HA LYS 85 HA LYS 85 7.488 -7.254 12.301 684 1HB LYS 85 1HB LYS 85 7.335 -4.318 12.257 685 2HB LYS 85 2HB LYS 85 6.634 -5.031 13.695 686 1HG LYS 85 1HG LYS 85 8.805 -6.490 13.796 687 2HG LYS 85 2HG LYS 85 9.468 -5.352 12.640 688 1HD LYS 85 1HD LYS 85 8.132 -4.241 15.107 689 2HD LYS 85 2HD LYS 85 9.714 -4.972 15.291 690 1HE LYS 85 1HE LYS 85 9.985 -3.355 12.996 691 2HE LYS 85 2HE LYS 85 8.983 -2.395 14.067 692 1HZ LYS 85 1HZ LYS 85 10.961 -1.869 15.009 693 2HZ LYS 85 2HZ LYS 85 10.882 -3.315 15.753 694 H ALA 86 H ALA 86 4.712 -5.382 11.001 695 HA ALA 86 HA ALA 86 2.827 -6.247 12.865 696 1HB ALA 86 1HB ALA 86 1.229 -5.698 10.922 697 2HB ALA 86 2HB ALA 86 2.303 -4.392 11.477 698 3HB ALA 86 3HB ALA 86 2.690 -5.290 9.990 699 H MET 87 H MET 87 4.273 -7.777 9.991 700 HA MET 87 HA MET 87 2.490 -10.042 10.449 701 1HB MET 87 1HB MET 87 4.177 -9.506 7.953 702 2HB MET 87 2HB MET 87 2.815 -10.599 8.095 703 1HG MET 87 1HG MET 87 1.357 -8.939 7.565 704 2HG MET 87 2HG MET 87 1.952 -7.938 8.874 705 1HE MET 87 1HE MET 87 0.933 -7.117 5.830 706 2HE MET 87 2HE MET 87 2.252 -6.914 4.652 707 3HE MET 87 3HE MET 87 1.759 -8.547 5.163 708 H ARG 88 H ARG 88 5.247 -9.115 11.666 709 HA ARG 88 HA ARG 88 7.338 -9.939 11.807 710 1HB ARG 88 1HB ARG 88 5.349 -11.915 12.972 711 2HB ARG 88 2HB ARG 88 7.065 -12.235 13.125 712 1HG ARG 88 1HG ARG 88 7.254 -9.801 14.050 713 2HG ARG 88 2HG ARG 88 5.510 -9.850 14.200 714 1HD ARG 88 1HD ARG 88 5.659 -11.848 15.666 715 2HD ARG 88 2HD ARG 88 7.397 -11.900 15.458 716 HE ARG 88 HE ARG 88 6.642 -9.295 16.410 717 1HH1 ARG 88 2HH2 ARG 88 6.913 -12.644 17.535 718 2HH1 ARG 88 1HH2 ARG 88 7.175 -12.199 19.187 719 1HH2 ARG 88 1HH ARG 88 7.216 -9.879 19.786 720 H LEU 89 H LEU 89 7.882 -10.246 9.481 721 HA LEU 89 HA LEU 89 7.886 -13.094 8.756 722 1HB LEU 89 1HB LEU 89 6.578 -11.086 7.433 723 2HB LEU 89 2HB LEU 89 8.107 -11.135 6.578 724 HG LEU 89 HG LEU 89 7.775 -13.577 6.189 725 1HD1 LEU 89 1HD1 LEU 89 5.536 -14.545 6.535 726 2HD1 LEU 89 2HD1 LEU 89 6.328 -14.100 8.066 727 3HD1 LEU 89 3HD1 LEU 89 5.041 -13.069 7.397 728 1HD2 LEU 89 1HD2 LEU 89 6.973 -11.580 4.681 729 2HD2 LEU 89 2HD2 LEU 89 6.530 -13.259 4.287 730 3HD2 LEU 89 3HD2 LEU 89 5.354 -12.195 5.093 731 H ARG 90 H ARG 90 9.623 -12.354 6.392 732 HA ARG 90 HA ARG 90 11.982 -11.401 7.725 733 1HB ARG 90 1HB ARG 90 13.296 -13.420 6.800 734 2HB ARG 90 2HB ARG 90 12.270 -13.742 8.184 735 1HG ARG 90 1HG ARG 90 10.437 -14.311 6.344 736 2HG ARG 90 2HG ARG 90 11.820 -14.485 5.281 737 1HD ARG 90 1HD ARG 90 12.633 -15.907 7.542 738 2HD ARG 90 2HD ARG 90 10.913 -16.242 7.493 739 HE ARG 90 HE ARG 90 12.915 -17.187 5.602 740 1HH1 ARG 90 2HH2 ARG 90 9.488 -16.349 5.923 741 2HH1 ARG 90 1HH2 ARG 90 8.989 -17.362 4.610 742 1HH2 ARG 90 1HH ARG 90 10.635 -18.631 3.416 743 H ILE 91 H ILE 91 10.440 -12.787 4.761 744 HA ILE 91 HA ILE 91 12.163 -12.221 2.816 745 HB ILE 91 HB ILE 91 10.065 -11.512 1.480 746 1HG1 ILE 91 1HG1 ILE 91 8.365 -12.762 3.518 747 2HG1 ILE 91 2HG1 ILE 91 8.993 -11.204 4.014 748 1HG2 ILE 91 1HG2 ILE 91 11.072 -14.024 2.429 749 2HG2 ILE 91 2HG2 ILE 91 9.300 -14.114 2.284 750 3HG2 ILE 91 3HG2 ILE 91 10.284 -13.634 0.881 751 1HD1 ILE 91 1HD1 ILE 91 7.704 -10.075 2.511 752 2HD1 ILE 91 2HD1 ILE 91 8.079 -11.223 1.202 753 3HD1 ILE 91 3HD1 ILE 91 6.788 -11.594 2.371 754 H VAL 92 H VAL 92 10.316 -9.834 4.735 755 HA VAL 92 HA VAL 92 10.157 -7.574 4.348 756 HB VAL 92 HB VAL 92 13.058 -8.099 5.026 757 1HG1 VAL 92 1HG1 VAL 92 12.510 -5.872 6.385 758 2HG1 VAL 92 2HG1 VAL 92 13.094 -5.832 4.704 759 3HG1 VAL 92 3HG1 VAL 92 11.359 -5.641 5.049 760 1HG2 VAL 92 1HG2 VAL 92 12.469 -8.563 7.172 761 2HG2 VAL 92 2HG2 VAL 92 11.059 -7.478 7.138 762 3HG2 VAL 92 3HG2 VAL 92 10.957 -9.092 6.396 763 HA PRO 93 HA PRO 93 12.014 -7.496 0.170 764 1HB PRO 93 1HB PRO 93 9.727 -7.511 -1.325 765 2HB PRO 93 2HB PRO 93 10.658 -8.956 -0.984 766 1HG PRO 93 1HG PRO 93 8.087 -8.089 0.189 767 2HG PRO 93 2HG PRO 93 8.810 -9.684 0.187 768 1HD PRO 93 1HD PRO 93 8.728 -7.840 2.382 769 2HD PRO 93 2HD PRO 93 9.552 -9.387 2.343 770 H GLU 94 H GLU 94 12.148 -5.766 -1.387 771 HA GLU 94 HA GLU 94 11.662 -3.346 -0.076 772 1HB GLU 94 1HB GLU 94 13.234 -4.212 -2.207 773 2HB GLU 94 2HB GLU 94 12.061 -3.182 -3.003 774 1HG GLU 94 1HG GLU 94 12.600 -1.310 -1.500 775 2HG GLU 94 2HG GLU 94 13.649 -2.330 -0.537 776 HE2 GLU 94 HE GLU 94 15.017 -0.431 -1.338 777 H LEU 95 H LEU 95 9.249 -3.939 0.306 778 HA LEU 95 HA LEU 95 7.510 -3.723 -1.935 779 1HB LEU 95 1HB LEU 95 7.285 -4.814 0.495 780 2HB LEU 95 2HB LEU 95 6.553 -3.260 0.841 781 HG LEU 95 HG LEU 95 5.466 -4.340 -1.615 782 1HD1 LEU 95 1HD1 LEU 95 4.680 -6.410 -1.069 783 2HD1 LEU 95 2HD1 LEU 95 6.224 -6.443 -0.183 784 3HD1 LEU 95 3HD1 LEU 95 4.708 -6.089 0.681 785 1HD2 LEU 95 1HD2 LEU 95 3.334 -4.033 -0.400 786 2HD2 LEU 95 2HD2 LEU 95 4.253 -3.673 1.081 787 3HD2 LEU 95 3HD2 LEU 95 4.386 -2.599 -0.333 788 H THR 96 H THR 96 8.002 -1.795 -3.045 789 HA THR 96 HA THR 96 8.191 0.693 -1.691 790 HB THR 96 HB THR 96 9.195 -0.010 -3.961 791 HG1 THR 96 HG1 THR 96 7.392 2.298 -3.963 792 1HG2 THR 96 1HG2 THR 96 7.749 -0.608 -5.626 793 2HG2 THR 96 2HG2 THR 96 6.352 -0.250 -4.582 794 3HG2 THR 96 3HG2 THR 96 7.081 1.040 -5.569 795 H PHE 97 H PHE 97 6.730 2.572 -2.084 796 HA PHE 97 HA PHE 97 3.949 1.628 -2.037 797 1HB PHE 97 1HB PHE 97 5.519 2.955 -0.092 798 2HB PHE 97 2HB PHE 97 4.658 4.279 -0.853 799 HD1 PHE 97 HD1 PHE 97 3.684 0.795 0.105 800 HD2 PHE 97 HD2 PHE 97 2.883 4.950 0.443 801 HE1 PHE 97 HE1 PHE 97 1.667 0.292 1.510 802 HE2 PHE 97 HE2 PHE 97 0.865 4.446 1.848 803 HZ PHE 97 HZ PHE 97 0.281 2.123 2.366 804 H PHE 98 H PHE 98 3.153 2.056 -4.068 805 HA PHE 98 HA PHE 98 3.960 4.527 -5.358 806 1HB PHE 98 1HB PHE 98 2.976 1.834 -6.035 807 2HB PHE 98 2HB PHE 98 1.965 3.035 -6.812 808 HD1 PHE 98 HD1 PHE 98 4.574 0.979 -7.443 809 HD2 PHE 98 HD2 PHE 98 3.609 5.100 -7.750 810 HE1 PHE 98 HE1 PHE 98 6.286 1.246 -9.259 811 HE2 PHE 98 HE2 PHE 98 5.320 5.367 -9.565 812 HZ PHE 98 HZ PHE 98 6.639 3.437 -10.299 813 H TYR 99 H TYR 99 2.770 6.366 -5.212 814 HA TYR 99 HA TYR 99 0.022 6.099 -4.236 815 1HB TYR 99 1HB TYR 99 1.246 8.788 -4.577 816 2HB TYR 99 2HB TYR 99 0.576 8.081 -3.121 817 HD1 TYR 99 HD1 TYR 99 2.026 6.517 -1.732 818 HD2 TYR 99 HD2 TYR 99 3.596 8.898 -4.921 819 HE1 TYR 99 HE1 TYR 99 4.373 6.230 -0.801 820 HE2 TYR 99 HE2 TYR 99 5.938 8.603 -3.978 821 HH TYR 99 HH TYR 99 6.512 7.512 -0.890 822 H ASP 100 H ASP 100 -1.358 5.832 -5.958 823 HA ASP 100 HA ASP 100 -0.877 7.550 -8.251 824 1HB ASP 100 1HB ASP 100 -1.415 4.866 -8.155 825 2HB ASP 100 2HB ASP 100 -3.049 5.485 -8.285 826 HD2 ASP 100 HD ASP 100 -0.881 7.415 -10.414 827 H ASN 101 H ASN 101 -1.828 9.508 -7.333 828 HA ASN 101 HA ASN 101 -4.532 9.281 -6.367 829 1HB ASN 101 1HB ASN 101 -3.110 11.933 -6.687 830 2HB ASN 101 2HB ASN 101 -4.210 11.423 -5.420 831 1HD2 ASN 101 1HD2 ASN 101 -1.495 12.601 -5.368 832 2HD2 ASN 101 2HD2 ASN 101 -0.517 11.551 -4.397 833 H SER 102 H SER 102 -5.615 11.770 -7.154 834 HA SER 102 HA SER 102 -5.959 11.286 -9.972 835 1HB SER 102 1HB SER 102 -7.555 13.491 -9.031 836 2HB SER 102 2HB SER 102 -8.088 11.905 -9.548 837 HG SER 102 HG SER 102 -7.553 11.144 -7.333 838 H LEU 103 H LEU 103 -3.546 12.682 -8.527 839 HA LEU 103 HA LEU 103 -3.720 15.272 -9.878 840 1HB LEU 103 1HB LEU 103 -3.206 15.260 -7.479 841 2HB LEU 103 2HB LEU 103 -1.798 14.261 -7.778 842 HG LEU 103 HG LEU 103 -1.414 16.443 -9.466 843 1HD1 LEU 103 1HD1 LEU 103 -3.237 17.237 -7.403 844 2HD1 LEU 103 2HD1 LEU 103 -1.674 18.050 -7.150 845 3HD1 LEU 103 3HD1 LEU 103 -2.518 18.209 -8.709 846 1HD2 LEU 103 1HD2 LEU 103 0.431 15.510 -8.394 847 2HD2 LEU 103 2HD2 LEU 103 0.267 17.107 -7.627 848 3HD2 LEU 103 3HD2 LEU 103 -0.307 15.651 -6.780 849 H VAL 104 H VAL 104 -2.948 12.182 -10.654 850 HA VAL 104 HA VAL 104 -0.833 13.101 -12.463 851 HB VAL 104 HB VAL 104 -0.752 10.967 -10.435 852 1HG1 VAL 104 1HG1 VAL 104 0.312 10.455 -13.234 853 2HG1 VAL 104 2HG1 VAL 104 0.659 9.467 -11.795 854 3HG1 VAL 104 3HG1 VAL 104 -1.003 9.569 -12.425 855 1HG2 VAL 104 1HG2 VAL 104 1.546 12.182 -11.975 856 2HG2 VAL 104 2HG2 VAL 104 0.725 13.061 -10.663 857 3HG2 VAL 104 3HG2 VAL 104 1.533 11.511 -10.326 858 H GLU 105 H GLU 105 -3.954 12.154 -12.148 859 HA GLU 105 HA GLU 105 -3.949 11.126 -14.827 860 1HB GLU 105 1HB GLU 105 -5.156 9.548 -12.513 861 2HB GLU 105 2HB GLU 105 -5.445 9.194 -14.205 862 1HG GLU 105 1HG GLU 105 -2.786 9.164 -14.355 863 2HG GLU 105 2HG GLU 105 -2.879 8.913 -12.624 864 HE2 GLU 105 HE GLU 105 -3.712 7.479 -15.663 865 H GLY 106 H GLY 106 -5.686 12.196 -11.877 866 1HA GLY 106 1HA GLY 106 -7.347 13.760 -11.757 867 2HA GLY 106 2HA GLY 106 -7.485 13.774 -13.503 868 H MET 107 H MET 107 -7.448 10.536 -12.842 869 HA MET 107 HA MET 107 -10.329 10.489 -12.371 870 1HB MET 107 1HB MET 107 -8.676 8.645 -14.186 871 2HB MET 107 2HB MET 107 -10.411 8.549 -13.961 872 1HG MET 107 1HG MET 107 -10.817 10.290 -15.398 873 2HG MET 107 2HG MET 107 -9.514 11.261 -14.742 874 1HE MET 107 1HE MET 107 -6.865 8.637 -15.691 875 2HE MET 107 2HE MET 107 -6.421 10.269 -16.246 876 3HE MET 107 3HE MET 107 -7.237 10.053 -14.678 877 H ARG 108 H ARG 108 -7.976 10.211 -10.498 878 HA ARG 108 HA ARG 108 -8.340 7.417 -9.791 879 1HB ARG 108 1HB ARG 108 -6.047 9.249 -9.737 880 2HB ARG 108 2HB ARG 108 -6.304 8.543 -8.154 881 1HG ARG 108 1HG ARG 108 -4.896 6.967 -9.219 882 2HG ARG 108 2HG ARG 108 -6.488 6.256 -9.397 883 1HD ARG 108 1HD ARG 108 -6.488 7.687 -11.682 884 2HD ARG 108 2HD ARG 108 -4.750 7.572 -11.486 885 HE ARG 108 HE ARG 108 -5.491 4.973 -11.099 886 1HH1 ARG 108 2HH2 ARG 108 -6.392 7.298 -13.617 887 2HH1 ARG 108 1HH2 ARG 108 -6.638 6.082 -14.825 888 1HH2 ARG 108 1HH ARG 108 -6.293 3.779 -14.260 Start of MODEL 2 1 H MET 1 H MET 1 -15.074 -12.860 0.177 2 HA MET 1 HA MET 1 -14.642 -11.857 -1.820 3 1HB MET 1 1HB MET 1 -14.258 -9.929 0.515 4 2HB MET 1 2HB MET 1 -14.254 -9.320 -1.129 5 1HG MET 1 1HG MET 1 -16.524 -9.273 -1.046 6 2HG MET 1 2HG MET 1 -16.511 -11.024 -1.027 7 1HE MET 1 1HE MET 1 -15.674 -8.028 0.901 8 2HE MET 1 2HE MET 1 -16.825 -8.009 2.260 9 3HE MET 1 3HE MET 1 -15.246 -8.810 2.443 10 H ALA 2 H ALA 2 -12.394 -13.299 -1.750 11 HA ALA 2 HA ALA 2 -10.416 -11.423 -2.711 12 1HB ALA 2 1HB ALA 2 -9.976 -11.667 -0.248 13 2HB ALA 2 2HB ALA 2 -9.739 -13.412 -0.510 14 3HB ALA 2 3HB ALA 2 -8.640 -12.240 -1.275 15 H LYS 3 H LYS 3 -8.657 -14.097 -2.118 16 HA LYS 3 HA LYS 3 -9.830 -15.788 -4.156 17 1HB LYS 3 1HB LYS 3 -8.027 -13.847 -4.951 18 2HB LYS 3 2HB LYS 3 -7.001 -15.250 -4.727 19 1HG LYS 3 1HG LYS 3 -9.623 -15.569 -6.208 20 2HG LYS 3 2HG LYS 3 -8.258 -14.852 -7.041 21 1HD LYS 3 1HD LYS 3 -7.135 -16.843 -7.186 22 2HD LYS 3 2HD LYS 3 -7.532 -17.299 -5.541 23 1HE LYS 3 1HE LYS 3 -8.647 -18.889 -6.973 24 2HE LYS 3 2HE LYS 3 -9.897 -17.837 -6.338 25 1HZ LYS 3 1HZ LYS 3 -9.231 -16.525 -8.573 26 2HZ LYS 3 2HZ LYS 3 -8.916 -18.044 -9.064 27 H GLU 4 H GLU 4 -10.112 -17.268 -2.409 28 HA GLU 4 HA GLU 4 -7.726 -18.036 -0.999 29 1HB GLU 4 1HB GLU 4 -9.391 -19.639 0.155 30 2HB GLU 4 2HB GLU 4 -9.627 -17.921 0.414 31 1HG GLU 4 1HG GLU 4 -11.555 -17.834 -0.899 32 2HG GLU 4 2HG GLU 4 -11.035 -19.139 -1.949 33 HE2 GLU 4 HE GLU 4 -13.426 -19.681 1.025 34 H PHE 5 H PHE 5 -6.450 -18.995 -2.682 35 HA PHE 5 HA PHE 5 -7.348 -21.679 -3.342 36 1HB PHE 5 1HB PHE 5 -7.757 -19.708 -5.151 37 2HB PHE 5 2HB PHE 5 -6.035 -19.884 -5.428 38 HD1 PHE 5 HD1 PHE 5 -5.959 -20.798 -7.578 39 HD2 PHE 5 HD2 PHE 5 -8.488 -22.571 -4.668 40 HE1 PHE 5 HE1 PHE 5 -6.407 -22.717 -9.134 41 HE2 PHE 5 HE2 PHE 5 -8.935 -24.489 -6.224 42 HZ PHE 5 HZ PHE 5 -7.890 -24.538 -8.439 43 H GLY 6 H GLY 6 -5.681 -23.178 -3.347 44 1HA GLY 6 1HA GLY 6 -3.385 -22.840 -2.007 45 2HA GLY 6 2HA GLY 6 -3.557 -23.976 -3.330 46 H ARG 7 H ARG 7 -4.084 -21.650 -5.277 47 HA ARG 7 HA ARG 7 -1.534 -21.450 -6.232 48 1HB ARG 7 1HB ARG 7 -4.168 -20.386 -6.874 49 2HB ARG 7 2HB ARG 7 -2.976 -19.122 -7.098 50 1HG ARG 7 1HG ARG 7 -3.160 -20.334 -9.194 51 2HG ARG 7 2HG ARG 7 -1.600 -20.721 -8.496 52 1HD ARG 7 1HD ARG 7 -3.232 -22.685 -7.380 53 2HD ARG 7 2HD ARG 7 -3.943 -22.485 -8.969 54 HE ARG 7 HE ARG 7 -1.225 -23.477 -8.370 55 1HH1 ARG 7 2HH2 ARG 7 -3.474 -22.334 -10.859 56 2HH1 ARG 7 1HH2 ARG 7 -2.587 -23.048 -12.163 57 1HH2 ARG 7 1HH ARG 7 -0.580 -24.269 -11.691 58 HA PRO 8 HA PRO 8 0.180 -17.916 -4.303 59 1HB PRO 8 1HB PRO 8 1.103 -16.271 -6.281 60 2HB PRO 8 2HB PRO 8 1.941 -17.725 -5.773 61 1HG PRO 8 1HG PRO 8 0.343 -17.263 -8.218 62 2HG PRO 8 2HG PRO 8 1.515 -18.525 -7.895 63 1HD PRO 8 1HD PRO 8 -1.341 -18.790 -7.873 64 2HD PRO 8 2HD PRO 8 -0.170 -20.019 -7.437 65 H GLN 9 H GLN 9 -2.705 -17.662 -5.661 66 HA GLN 9 HA GLN 9 -2.957 -14.836 -5.539 67 1HB GLN 9 1HB GLN 9 -4.408 -16.961 -6.683 68 2HB GLN 9 2HB GLN 9 -5.476 -16.341 -5.440 69 1HG GLN 9 1HG GLN 9 -6.037 -14.951 -7.238 70 2HG GLN 9 2HG GLN 9 -4.836 -13.968 -6.423 71 1HE2 GLN 9 1HE2 GLN 9 -3.516 -13.026 -7.762 72 2HE2 GLN 9 2HE2 GLN 9 -2.854 -13.673 -9.226 73 H ARG 10 H ARG 10 -3.639 -17.644 -3.423 74 HA ARG 10 HA ARG 10 -5.237 -16.336 -1.608 75 1HB ARG 10 1HB ARG 10 -4.770 -18.846 -1.777 76 2HB ARG 10 2HB ARG 10 -3.228 -18.560 -0.993 77 1HG ARG 10 1HG ARG 10 -5.671 -17.438 0.358 78 2HG ARG 10 2HG ARG 10 -5.478 -19.179 0.390 79 1HD ARG 10 1HD ARG 10 -3.138 -17.396 1.136 80 2HD ARG 10 2HD ARG 10 -4.398 -17.710 2.311 81 HE ARG 10 HE ARG 10 -2.411 -19.625 1.324 82 1HH1 ARG 10 2HH2 ARG 10 -5.581 -19.289 2.868 83 2HH1 ARG 10 1HH2 ARG 10 -5.537 -20.865 3.585 84 1HH2 ARG 10 1HH ARG 10 -3.630 -22.267 3.220 85 H VAL 11 H VAL 11 -1.673 -17.086 -1.416 86 HA VAL 11 HA VAL 11 -1.170 -15.687 0.909 87 HB VAL 11 HB VAL 11 0.521 -16.356 -1.496 88 1HG1 VAL 11 1HG1 VAL 11 1.481 -15.249 1.165 89 2HG1 VAL 11 2HG1 VAL 11 2.504 -15.799 -0.184 90 3HG1 VAL 11 3HG1 VAL 11 1.467 -14.365 -0.379 91 1HG2 VAL 11 1HG2 VAL 11 -0.270 -17.717 0.996 92 2HG2 VAL 11 2HG2 VAL 11 0.300 -18.389 -0.551 93 3HG2 VAL 11 3HG2 VAL 11 1.473 -17.783 0.643 94 H ALA 12 H ALA 12 -1.194 -14.583 -2.529 95 HA ALA 12 HA ALA 12 -0.264 -12.002 -2.024 96 1HB ALA 12 1HB ALA 12 -0.214 -12.434 -4.264 97 2HB ALA 12 2HB ALA 12 -1.653 -13.478 -4.202 98 3HB ALA 12 3HB ALA 12 -1.838 -11.709 -4.226 99 H GLN 13 H GLN 13 -3.536 -13.484 -1.899 100 HA GLN 13 HA GLN 13 -4.900 -11.073 -1.633 101 1HB GLN 13 1HB GLN 13 -5.564 -13.942 -0.885 102 2HB GLN 13 2HB GLN 13 -6.694 -12.637 -0.582 103 1HG GLN 13 1HG GLN 13 -6.217 -14.026 -3.052 104 2HG GLN 13 2HG GLN 13 -7.388 -12.761 -2.733 105 1HE2 GLN 13 1HE2 GLN 13 -6.766 -10.556 -2.966 106 2HE2 GLN 13 2HE2 GLN 13 -5.510 -10.087 -4.062 107 H GLU 14 H GLU 14 -4.390 -13.599 0.942 108 HA GLU 14 HA GLU 14 -5.141 -12.234 3.070 109 1HB GLU 14 1HB GLU 14 -3.425 -13.534 4.377 110 2HB GLU 14 2HB GLU 14 -4.341 -14.514 3.248 111 1HG GLU 14 1HG GLU 14 -2.521 -14.612 1.678 112 2HG GLU 14 2HG GLU 14 -1.672 -13.287 2.452 113 HE2 GLU 14 HE GLU 14 -2.230 -16.831 3.005 114 H MET 15 H MET 15 -2.085 -11.751 1.264 115 HA MET 15 HA MET 15 -1.012 -9.990 3.197 116 1HB MET 15 1HB MET 15 -0.207 -11.296 0.747 117 2HB MET 15 2HB MET 15 0.074 -9.580 0.524 118 1HG MET 15 1HG MET 15 2.063 -10.036 1.591 119 2HG MET 15 2HG MET 15 1.095 -9.857 3.040 120 1HE MET 15 1HE MET 15 3.203 -10.955 3.767 121 2HE MET 15 2HE MET 15 3.161 -12.676 4.221 122 3HE MET 15 3HE MET 15 3.914 -12.180 2.687 123 H GLN 16 H GLN 16 -2.785 -9.631 0.076 124 HA GLN 16 HA GLN 16 -2.483 -6.872 -0.078 125 1HB GLN 16 1HB GLN 16 -3.284 -8.615 -1.858 126 2HB GLN 16 2HB GLN 16 -4.880 -8.376 -1.175 127 1HG GLN 16 1HG GLN 16 -3.475 -5.824 -1.688 128 2HG GLN 16 2HG GLN 16 -3.677 -6.782 -3.141 129 1HE2 GLN 16 1HE2 GLN 16 -5.018 -4.828 -3.606 130 2HE2 GLN 16 2HE2 GLN 16 -6.701 -4.873 -3.198 131 H LYS 17 H LYS 17 -4.806 -8.990 1.619 132 HA LYS 17 HA LYS 17 -6.581 -6.840 2.255 133 1HB LYS 17 1HB LYS 17 -7.296 -9.209 1.964 134 2HB LYS 17 2HB LYS 17 -6.410 -9.636 3.413 135 1HG LYS 17 1HG LYS 17 -7.844 -7.585 4.441 136 2HG LYS 17 2HG LYS 17 -8.932 -8.016 3.136 137 1HD LYS 17 1HD LYS 17 -9.753 -9.608 4.542 138 2HD LYS 17 2HD LYS 17 -8.293 -10.510 4.192 139 1HE LYS 17 1HE LYS 17 -7.175 -9.677 6.162 140 2HE LYS 17 2HE LYS 17 -8.372 -8.422 6.407 141 1HZ LYS 17 1HZ LYS 17 -8.505 -11.206 7.156 142 2HZ LYS 17 2HZ LYS 17 -9.298 -9.934 7.795 143 H GLU 18 H GLU 18 -3.854 -8.572 3.820 144 HA GLU 18 HA GLU 18 -4.232 -7.363 6.313 145 1HB GLU 18 1HB GLU 18 -2.928 -9.457 5.940 146 2HB GLU 18 2HB GLU 18 -1.703 -8.545 5.081 147 1HG GLU 18 1HG GLU 18 -0.712 -8.439 7.154 148 2HG GLU 18 2HG GLU 18 -1.791 -7.074 7.371 149 HE2 GLU 18 HE GLU 18 -2.397 -10.442 9.406 150 H ILE 19 H ILE 19 -2.300 -6.530 3.392 151 HA ILE 19 HA ILE 19 -1.059 -4.295 4.678 152 HB ILE 19 HB ILE 19 0.034 -3.942 2.637 153 1HG1 ILE 19 1HG1 ILE 19 -2.186 -5.542 1.343 154 2HG1 ILE 19 2HG1 ILE 19 -1.809 -3.847 1.105 155 1HG2 ILE 19 1HG2 ILE 19 1.231 -5.751 3.108 156 2HG2 ILE 19 2HG2 ILE 19 -0.201 -6.625 3.701 157 3HG2 ILE 19 3HG2 ILE 19 0.203 -6.654 1.969 158 1HD1 ILE 19 1HD1 ILE 19 0.620 -5.021 0.499 159 2HD1 ILE 19 2HD1 ILE 19 -0.533 -6.249 -0.076 160 3HD1 ILE 19 3HD1 ILE 19 -0.620 -4.585 -0.701 161 H ALA 20 H ALA 20 -3.888 -4.897 2.558 162 HA ALA 20 HA ALA 20 -4.433 -2.246 1.918 163 1HB ALA 20 1HB ALA 20 -6.816 -3.198 1.673 164 2HB ALA 20 2HB ALA 20 -5.532 -3.965 0.708 165 3HB ALA 20 3HB ALA 20 -6.119 -4.750 2.194 166 H LEU 21 H LEU 21 -5.115 -4.215 4.830 167 HA LEU 21 HA LEU 21 -6.860 -2.259 5.957 168 1HB LEU 21 1HB LEU 21 -7.164 -4.564 6.496 169 2HB LEU 21 2HB LEU 21 -5.505 -4.727 7.038 170 HG LEU 21 HG LEU 21 -6.651 -2.664 8.609 171 1HD1 LEU 21 1HD1 LEU 21 -8.781 -4.012 7.664 172 2HD1 LEU 21 2HD1 LEU 21 -8.386 -5.025 9.074 173 3HD1 LEU 21 3HD1 LEU 21 -8.713 -3.289 9.290 174 1HD2 LEU 21 1HD2 LEU 21 -5.124 -3.807 9.798 175 2HD2 LEU 21 2HD2 LEU 21 -6.522 -4.796 10.286 176 3HD2 LEU 21 3HD2 LEU 21 -5.461 -5.344 8.967 177 H ILE 22 H ILE 22 -3.509 -3.407 6.787 178 HA ILE 22 HA ILE 22 -3.024 -1.406 8.647 179 HB ILE 22 HB ILE 22 -1.193 -3.068 6.924 180 1HG1 ILE 22 1HG1 ILE 22 -1.739 -3.330 9.885 181 2HG1 ILE 22 2HG1 ILE 22 -2.749 -4.114 8.687 182 1HG2 ILE 22 1HG2 ILE 22 0.677 -2.341 8.139 183 2HG2 ILE 22 2HG2 ILE 22 -0.199 -0.849 7.718 184 3HG2 ILE 22 3HG2 ILE 22 -0.320 -1.519 9.363 185 1HD1 ILE 22 1HD1 ILE 22 -0.714 -5.226 7.720 186 2HD1 ILE 22 2HD1 ILE 22 0.266 -4.478 9.005 187 3HD1 ILE 22 3HD1 ILE 22 -0.994 -5.664 9.422 188 H LEU 23 H LEU 23 -3.255 -1.296 5.171 189 HA LEU 23 HA LEU 23 -1.685 1.131 5.001 190 1HB LEU 23 1HB LEU 23 -1.513 -0.591 3.273 191 2HB LEU 23 2HB LEU 23 -3.223 -0.430 2.920 192 HG LEU 23 HG LEU 23 -1.483 2.002 2.709 193 1HD1 LEU 23 1HD1 LEU 23 -1.707 0.383 0.243 194 2HD1 LEU 23 2HD1 LEU 23 -0.378 1.408 0.838 195 3HD1 LEU 23 3HD1 LEU 23 -0.591 -0.238 1.483 196 1HD2 LEU 23 1HD2 LEU 23 -3.503 1.373 0.656 197 2HD2 LEU 23 2HD2 LEU 23 -4.142 1.577 2.305 198 3HD2 LEU 23 3HD2 LEU 23 -3.193 2.881 1.551 199 H GLN 24 H GLN 24 -4.912 0.141 5.722 200 HA GLN 24 HA GLN 24 -5.849 2.815 5.028 201 1HB GLN 24 1HB GLN 24 -7.090 0.124 4.878 202 2HB GLN 24 2HB GLN 24 -8.133 1.347 5.577 203 1HG GLN 24 1HG GLN 24 -8.139 2.666 3.621 204 2HG GLN 24 2HG GLN 24 -6.613 2.019 3.052 205 1HE2 GLN 24 1HE2 GLN 24 -7.185 1.298 1.100 206 2HE2 GLN 24 2HE2 GLN 24 -8.344 0.051 0.781 207 H ARG 25 H ARG 25 -4.756 0.878 7.572 208 HA ARG 25 HA ARG 25 -6.444 2.328 9.451 209 1HB ARG 25 1HB ARG 25 -5.497 -0.467 9.343 210 2HB ARG 25 2HB ARG 25 -5.125 0.282 10.882 211 1HG ARG 25 1HG ARG 25 -7.854 0.934 9.971 212 2HG ARG 25 2HG ARG 25 -7.607 -0.795 10.116 213 1HD ARG 25 1HD ARG 25 -6.639 -0.365 12.453 214 2HD ARG 25 2HD ARG 25 -7.154 1.302 12.289 215 HE ARG 25 HE ARG 25 -9.342 0.621 12.727 216 1HH1 ARG 25 2HH2 ARG 25 -7.513 -2.190 11.581 217 2HH1 ARG 25 1HH2 ARG 25 -8.816 -3.300 11.843 218 1HH2 ARG 25 1HH ARG 25 -10.892 -2.487 12.723 219 H GLU 26 H GLU 26 -3.147 0.777 9.216 220 HA GLU 26 HA GLU 26 -2.068 2.431 11.189 221 1HB GLU 26 1HB GLU 26 -0.341 0.982 11.015 222 2HB GLU 26 2HB GLU 26 -1.277 0.144 9.793 223 1HG GLU 26 1HG GLU 26 0.754 0.580 8.672 224 2HG GLU 26 2HG GLU 26 -0.276 1.882 8.110 225 HE2 GLU 26 HE GLU 26 0.337 3.268 11.020 226 H ILE 27 H ILE 27 -2.830 2.942 7.844 227 HA ILE 27 HA ILE 27 -0.819 4.975 7.462 228 HB ILE 27 HB ILE 27 -2.352 3.303 5.820 229 1HG1 ILE 27 1HG1 ILE 27 -0.254 5.409 5.453 230 2HG1 ILE 27 2HG1 ILE 27 -0.166 3.680 5.181 231 1HG2 ILE 27 1HG2 ILE 27 -4.144 5.012 5.914 232 2HG2 ILE 27 2HG2 ILE 27 -3.007 6.203 5.237 233 3HG2 ILE 27 3HG2 ILE 27 -3.479 4.779 4.279 234 1HD1 ILE 27 1HD1 ILE 27 -1.837 4.019 3.249 235 2HD1 ILE 27 2HD1 ILE 27 -1.545 5.765 3.444 236 3HD1 ILE 27 3HD1 ILE 27 -0.204 4.681 3.002 237 H LYS 28 H LYS 28 -1.813 7.148 6.429 238 HA LYS 28 HA LYS 28 -3.679 8.103 8.473 239 1HB LYS 28 1HB LYS 28 -2.779 10.333 7.962 240 2HB LYS 28 2HB LYS 28 -1.533 9.221 8.489 241 1HG LYS 28 1HG LYS 28 -1.731 8.958 5.634 242 2HG LYS 28 2HG LYS 28 -1.721 10.674 5.986 243 1HD LYS 28 1HD LYS 28 0.589 9.904 5.718 244 2HD LYS 28 2HD LYS 28 0.334 10.369 7.388 245 1HE LYS 28 1HE LYS 28 -0.237 7.847 7.803 246 2HE LYS 28 2HE LYS 28 0.486 7.559 6.234 247 1HZ LYS 28 1HZ LYS 28 2.546 8.536 7.023 248 2HZ LYS 28 2HZ LYS 28 1.884 8.955 8.451 249 H ASP 29 H ASP 29 -5.409 6.949 7.188 250 HA ASP 29 HA ASP 29 -5.980 8.120 4.647 251 1HB ASP 29 1HB ASP 29 -6.862 6.029 4.477 252 2HB ASP 29 2HB ASP 29 -6.828 5.797 6.213 253 HD2 ASP 29 HD ASP 29 -10.246 5.833 6.233 254 HA PRO 30 HA PRO 30 -9.466 9.773 7.486 255 1HB PRO 30 1HB PRO 30 -9.170 9.583 10.195 256 2HB PRO 30 2HB PRO 30 -10.090 8.431 9.249 257 1HG PRO 30 1HG PRO 30 -7.408 8.119 10.453 258 2HG PRO 30 2HG PRO 30 -8.507 6.878 9.884 259 1HD PRO 30 1HD PRO 30 -6.159 7.837 8.545 260 2HD PRO 30 2HD PRO 30 -7.320 6.680 7.925 261 H ARG 31 H ARG 31 -6.181 10.227 7.870 262 HA ARG 31 HA ARG 31 -6.520 12.750 9.176 263 1HB ARG 31 1HB ARG 31 -3.919 11.867 7.899 264 2HB ARG 31 2HB ARG 31 -4.161 12.779 9.377 265 1HG ARG 31 1HG ARG 31 -5.329 10.575 10.254 266 2HG ARG 31 2HG ARG 31 -4.490 9.796 8.927 267 1HD ARG 31 1HD ARG 31 -2.533 9.808 10.083 268 2HD ARG 31 2HD ARG 31 -2.624 11.545 10.307 269 HE ARG 31 HE ARG 31 -3.487 9.480 12.220 270 1HH1 ARG 31 2HH2 ARG 31 -3.675 12.903 11.324 271 2HH1 ARG 31 1HH2 ARG 31 -4.132 13.422 12.913 272 1HH2 ARG 31 1HH ARG 31 -4.369 11.794 14.656 273 H LEU 32 H LEU 32 -6.245 11.403 5.931 274 HA LEU 32 HA LEU 32 -5.491 13.931 4.754 275 1HB LEU 32 1HB LEU 32 -5.786 11.119 3.871 276 2HB LEU 32 2HB LEU 32 -6.111 12.348 2.665 277 HG LEU 32 HG LEU 32 -3.855 11.803 2.377 278 1HD1 LEU 32 1HD1 LEU 32 -2.905 13.854 2.427 279 2HD1 LEU 32 2HD1 LEU 32 -4.545 14.348 2.908 280 3HD1 LEU 32 3HD1 LEU 32 -3.286 14.117 4.145 281 1HD2 LEU 32 1HD2 LEU 32 -2.311 12.081 4.544 282 2HD2 LEU 32 2HD2 LEU 32 -3.817 11.566 5.341 283 3HD2 LEU 32 3HD2 LEU 32 -3.076 10.540 4.090 284 H GLY 33 H GLY 33 -8.370 12.176 5.679 285 1HA GLY 33 1HA GLY 33 -10.496 13.011 5.737 286 2HA GLY 33 2HA GLY 33 -10.011 14.370 4.743 287 H MET 34 H MET 34 -9.047 11.155 3.673 288 HA MET 34 HA MET 34 -11.382 10.935 1.993 289 1HB MET 34 1HB MET 34 -8.505 11.143 0.945 290 2HB MET 34 2HB MET 34 -9.863 10.650 -0.045 291 1HG MET 34 1HG MET 34 -10.935 12.815 0.174 292 2HG MET 34 2HG MET 34 -9.849 13.302 1.461 293 1HE MET 34 1HE MET 34 -7.349 15.147 0.069 294 2HE MET 34 2HE MET 34 -7.970 14.176 1.426 295 3HE MET 34 3HE MET 34 -6.657 13.542 0.403 296 H MET 35 H MET 35 -11.627 8.780 1.031 297 HA MET 35 HA MET 35 -10.311 6.820 2.672 298 1HB MET 35 1HB MET 35 -12.888 7.101 1.710 299 2HB MET 35 2HB MET 35 -12.233 6.011 0.507 300 1HG MET 35 1HG MET 35 -11.502 4.444 2.316 301 2HG MET 35 2HG MET 35 -12.141 5.539 3.527 302 1HE MET 35 1HE MET 35 -14.431 3.637 0.141 303 2HE MET 35 2HE MET 35 -12.672 3.776 0.379 304 3HE MET 35 3HE MET 35 -13.567 2.424 1.116 305 H THR 36 H THR 36 -8.250 6.326 1.958 306 HA THR 36 HA THR 36 -7.464 6.409 -0.731 307 HB THR 36 HB THR 36 -5.408 5.421 0.157 308 HG1 THR 36 HG1 THR 36 -7.084 4.871 2.499 309 1HG2 THR 36 1HG2 THR 36 -4.885 6.930 1.886 310 2HG2 THR 36 2HG2 THR 36 -6.306 7.736 1.182 311 3HG2 THR 36 3HG2 THR 36 -6.480 6.751 2.654 312 H THR 37 H THR 37 -6.477 4.413 -1.875 313 HA THR 37 HA THR 37 -8.086 2.023 -1.467 314 HB THR 37 HB THR 37 -8.260 3.911 -3.842 315 HG1 THR 37 HG1 THR 37 -9.938 3.884 -2.220 316 1HG2 THR 37 1HG2 THR 37 -7.652 1.592 -4.718 317 2HG2 THR 37 2HG2 THR 37 -9.064 0.957 -3.839 318 3HG2 THR 37 3HG2 THR 37 -9.293 2.122 -5.165 319 H VAL 38 H VAL 38 -7.315 0.194 -2.864 320 HA VAL 38 HA VAL 38 -4.483 0.576 -3.540 321 HB VAL 38 HB VAL 38 -5.761 -1.661 -1.960 322 1HG1 VAL 38 1HG1 VAL 38 -4.265 -2.925 -3.132 323 2HG1 VAL 38 2HG1 VAL 38 -3.207 -1.541 -3.497 324 3HG1 VAL 38 3HG1 VAL 38 -3.158 -2.300 -1.887 325 1HG2 VAL 38 1HG2 VAL 38 -4.441 -0.966 -0.134 326 2HG2 VAL 38 2HG2 VAL 38 -3.419 0.074 -1.155 327 3HG2 VAL 38 3HG2 VAL 38 -5.104 0.538 -0.817 328 H SER 39 H SER 39 -5.119 0.824 -5.761 329 HA SER 39 HA SER 39 -6.499 -1.450 -6.891 330 1HB SER 39 1HB SER 39 -6.450 1.339 -7.453 331 2HB SER 39 2HB SER 39 -5.689 0.569 -8.830 332 HG SER 39 HG SER 39 -8.072 0.781 -8.961 333 H GLY 40 H GLY 40 -3.516 -1.158 -5.875 334 1HA GLY 40 1HA GLY 40 -2.378 -2.664 -8.093 335 2HA GLY 40 2HA GLY 40 -1.593 -1.144 -7.708 336 H VAL 41 H VAL 41 -1.329 -4.379 -7.202 337 HA VAL 41 HA VAL 41 0.202 -3.955 -4.779 338 HB VAL 41 HB VAL 41 -1.969 -6.056 -4.942 339 1HG1 VAL 41 1HG1 VAL 41 -0.178 -5.262 -2.622 340 2HG1 VAL 41 2HG1 VAL 41 -1.408 -6.550 -2.631 341 3HG1 VAL 41 3HG1 VAL 41 0.049 -6.701 -3.644 342 1HG2 VAL 41 1HG2 VAL 41 -2.929 -3.805 -4.694 343 2HG2 VAL 41 2HG2 VAL 41 -3.136 -4.770 -3.213 344 3HG2 VAL 41 3HG2 VAL 41 -1.880 -3.510 -3.286 345 H GLU 42 H GLU 42 2.116 -5.030 -4.935 346 HA GLU 42 HA GLU 42 2.165 -7.386 -6.616 347 1HB GLU 42 1HB GLU 42 4.165 -5.104 -6.916 348 2HB GLU 42 2HB GLU 42 4.182 -6.613 -7.809 349 1HG GLU 42 1HG GLU 42 1.599 -5.742 -8.286 350 2HG GLU 42 2HG GLU 42 2.452 -4.216 -8.175 351 HE2 GLU 42 HE GLU 42 1.676 -4.836 -10.803 352 H MET 43 H MET 43 3.363 -9.023 -5.695 353 HA MET 43 HA MET 43 5.225 -8.205 -3.605 354 1HB MET 43 1HB MET 43 3.778 -10.843 -3.380 355 2HB MET 43 2HB MET 43 4.305 -9.770 -2.100 356 1HG MET 43 1HG MET 43 1.943 -9.244 -3.969 357 2HG MET 43 2HG MET 43 1.814 -9.810 -2.315 358 1HE MET 43 1HE MET 43 2.597 -8.144 -0.112 359 2HE MET 43 2HE MET 43 1.504 -6.766 -0.384 360 3HE MET 43 3HE MET 43 0.981 -8.414 -0.806 361 H SER 44 H SER 44 7.233 -8.664 -4.417 362 HA SER 44 HA SER 44 7.472 -11.183 -5.864 363 1HB SER 44 1HB SER 44 8.684 -8.483 -6.231 364 2HB SER 44 2HB SER 44 9.787 -9.826 -6.454 365 HG SER 44 HG SER 44 8.056 -8.892 -8.233 366 H ARG 45 H ARG 45 8.194 -12.742 -4.444 367 HA ARG 45 HA ARG 45 10.100 -11.880 -2.440 368 1HB ARG 45 1HB ARG 45 8.185 -14.214 -2.692 369 2HB ARG 45 2HB ARG 45 9.585 -14.391 -1.654 370 1HG ARG 45 1HG ARG 45 8.389 -13.342 -0.033 371 2HG ARG 45 2HG ARG 45 8.596 -11.863 -0.950 372 1HD ARG 45 1HD ARG 45 6.208 -12.190 -0.511 373 2HD ARG 45 2HD ARG 45 6.493 -12.377 -2.230 374 HE ARG 45 HE ARG 45 5.930 -14.583 -0.302 375 1HH1 ARG 45 2HH2 ARG 45 6.459 -13.539 -3.647 376 2HH1 ARG 45 1HH2 ARG 45 5.865 -15.015 -4.331 377 1HH2 ARG 45 1HH ARG 45 5.097 -16.759 -2.878 378 H ASP 46 H ASP 46 10.061 -13.120 -5.549 379 HA ASP 46 HA ASP 46 11.580 -15.323 -5.605 380 1HB ASP 46 1HB ASP 46 11.302 -12.909 -7.360 381 2HB ASP 46 2HB ASP 46 12.690 -13.927 -7.687 382 HD2 ASP 46 HD ASP 46 9.814 -14.274 -9.573 383 H LEU 47 H LEU 47 12.445 -12.078 -4.552 384 HA LEU 47 HA LEU 47 15.098 -13.013 -3.870 385 1HB LEU 47 1HB LEU 47 14.595 -11.293 -6.128 386 2HB LEU 47 2HB LEU 47 15.519 -10.432 -4.912 387 HG LEU 47 HG LEU 47 16.658 -13.046 -5.222 388 1HD1 LEU 47 1HD1 LEU 47 15.578 -13.103 -7.416 389 2HD1 LEU 47 2HD1 LEU 47 16.326 -11.542 -7.833 390 3HD1 LEU 47 3HD1 LEU 47 17.348 -12.975 -7.565 391 1HD2 LEU 47 1HD2 LEU 47 17.464 -10.214 -5.320 392 2HD2 LEU 47 2HD2 LEU 47 18.249 -11.614 -4.550 393 3HD2 LEU 47 3HD2 LEU 47 18.472 -11.314 -6.291 394 H ALA 48 H ALA 48 13.139 -9.951 -4.063 395 HA ALA 48 HA ALA 48 12.330 -9.740 -1.524 396 1HB ALA 48 1HB ALA 48 14.208 -9.755 -0.261 397 2HB ALA 48 2HB ALA 48 15.261 -9.468 -1.668 398 3HB ALA 48 3HB ALA 48 14.459 -8.098 -0.863 399 H TYR 49 H TYR 49 10.948 -8.809 -3.354 400 HA TYR 49 HA TYR 49 11.283 -5.937 -3.294 401 1HB TYR 49 1HB TYR 49 10.877 -7.483 -5.914 402 2HB TYR 49 2HB TYR 49 11.291 -5.788 -5.750 403 HD1 TYR 49 HD1 TYR 49 12.565 -8.927 -6.570 404 HD2 TYR 49 HD2 TYR 49 13.609 -5.392 -4.399 405 HE1 TYR 49 HE1 TYR 49 15.031 -9.500 -6.808 406 HE2 TYR 49 HE2 TYR 49 16.071 -5.977 -4.643 407 HH TYR 49 HH TYR 49 17.393 -7.452 -6.518 408 H ALA 50 H ALA 50 9.314 -4.848 -3.412 409 HA ALA 50 HA ALA 50 6.984 -6.305 -4.320 410 1HB ALA 50 1HB ALA 50 6.857 -7.083 -2.111 411 2HB ALA 50 2HB ALA 50 7.522 -5.576 -1.437 412 3HB ALA 50 3HB ALA 50 5.856 -5.613 -2.063 413 H LYS 51 H LYS 51 5.233 -4.888 -4.853 414 HA LYS 51 HA LYS 51 5.890 -2.041 -4.593 415 1HB LYS 51 1HB LYS 51 4.491 -2.851 -7.069 416 2HB LYS 51 2HB LYS 51 5.721 -1.630 -6.811 417 1HG LYS 51 1HG LYS 51 7.364 -3.631 -6.447 418 2HG LYS 51 2HG LYS 51 6.107 -4.630 -7.146 419 1HD LYS 51 1HD LYS 51 6.794 -4.023 -9.217 420 2HD LYS 51 2HD LYS 51 6.349 -2.365 -8.868 421 1HE LYS 51 1HE LYS 51 8.556 -1.833 -8.045 422 2HE LYS 51 2HE LYS 51 9.013 -3.522 -7.948 423 1HZ LYS 51 1HZ LYS 51 9.961 -2.757 -9.944 424 2HZ LYS 51 2HZ LYS 51 8.628 -3.528 -10.471 425 H VAL 52 H VAL 52 4.411 -1.271 -3.173 426 HA VAL 52 HA VAL 52 1.691 -2.345 -3.384 427 HB VAL 52 HB VAL 52 3.359 -1.212 -1.177 428 1HG1 VAL 52 1HG1 VAL 52 1.506 0.240 -0.960 429 2HG1 VAL 52 2HG1 VAL 52 0.344 -1.043 -1.371 430 3HG1 VAL 52 3HG1 VAL 52 1.197 -1.083 0.191 431 1HG2 VAL 52 1HG2 VAL 52 1.621 -3.640 -1.608 432 2HG2 VAL 52 2HG2 VAL 52 3.344 -3.552 -1.174 433 3HG2 VAL 52 3HG2 VAL 52 2.103 -3.127 0.027 434 H TYR 53 H TYR 53 0.302 -1.136 -4.556 435 HA TYR 53 HA TYR 53 0.933 1.671 -4.969 436 1HB TYR 53 1HB TYR 53 -0.218 -0.536 -6.393 437 2HB TYR 53 2HB TYR 53 -1.576 0.524 -6.071 438 HD1 TYR 53 HD1 TYR 53 -2.102 2.017 -7.758 439 HD2 TYR 53 HD2 TYR 53 1.990 0.890 -7.215 440 HE1 TYR 53 HE1 TYR 53 -1.432 3.466 -9.736 441 HE2 TYR 53 HE2 TYR 53 2.645 2.342 -9.195 442 HH TYR 53 HH TYR 53 1.269 4.636 -10.278 443 H VAL 54 H VAL 54 -0.658 3.372 -4.645 444 HA VAL 54 HA VAL 54 -2.987 2.726 -3.079 445 HB VAL 54 HB VAL 54 -2.222 4.457 -1.334 446 1HG1 VAL 54 1HG1 VAL 54 -0.655 1.912 -1.080 447 2HG1 VAL 54 2HG1 VAL 54 -1.682 2.745 0.111 448 3HG1 VAL 54 3HG1 VAL 54 -2.429 1.824 -1.218 449 1HG2 VAL 54 1HG2 VAL 54 0.452 3.650 -2.519 450 2HG2 VAL 54 2HG2 VAL 54 -0.225 5.290 -2.377 451 3HG2 VAL 54 3HG2 VAL 54 0.256 4.396 -0.915 452 H THR 55 H THR 55 -4.599 3.986 -3.849 453 HA THR 55 HA THR 55 -3.797 6.489 -5.177 454 HB THR 55 HB THR 55 -4.791 5.165 -6.853 455 HG1 THR 55 HG1 THR 55 -6.598 6.445 -7.104 456 1HG2 THR 55 1HG2 THR 55 -6.413 4.018 -4.557 457 2HG2 THR 55 2HG2 THR 55 -7.065 3.940 -6.211 458 3HG2 THR 55 3HG2 THR 55 -5.514 3.155 -5.827 459 H PHE 56 H PHE 56 -4.592 8.417 -4.519 460 HA PHE 56 HA PHE 56 -6.687 8.298 -2.468 461 1HB PHE 56 1HB PHE 56 -4.405 10.333 -2.563 462 2HB PHE 56 2HB PHE 56 -5.403 9.914 -1.183 463 HD1 PHE 56 HD1 PHE 56 -5.242 7.081 -0.916 464 HD2 PHE 56 HD2 PHE 56 -2.211 9.782 -2.151 465 HE1 PHE 56 HE1 PHE 56 -3.487 5.467 -0.133 466 HE2 PHE 56 HE2 PHE 56 -0.454 8.168 -1.367 467 HZ PHE 56 HZ PHE 56 -1.113 6.031 -0.367 468 H LEU 57 H LEU 57 -7.940 10.342 -2.252 469 HA LEU 57 HA LEU 57 -8.282 11.527 -4.881 470 1HB LEU 57 1HB LEU 57 -10.156 10.536 -3.506 471 2HB LEU 57 2HB LEU 57 -9.971 11.890 -2.410 472 HG LEU 57 HG LEU 57 -10.278 13.322 -4.611 473 1HD1 LEU 57 1HD1 LEU 57 -10.824 12.234 -6.462 474 2HD1 LEU 57 2HD1 LEU 57 -10.678 10.685 -5.600 475 3HD1 LEU 57 3HD1 LEU 57 -12.243 11.531 -5.648 476 1HD2 LEU 57 1HD2 LEU 57 -12.220 12.112 -2.726 477 2HD2 LEU 57 2HD2 LEU 57 -11.874 13.819 -3.093 478 3HD2 LEU 57 3HD2 LEU 57 -12.899 12.863 -4.190 479 H ASN 58 H ASN 58 -6.074 12.051 -2.652 480 HA ASN 58 HA ASN 58 -6.384 14.529 -1.623 481 1HB ASN 58 1HB ASN 58 -4.125 12.761 -2.346 482 2HB ASN 58 2HB ASN 58 -3.678 14.453 -2.446 483 1HD2 ASN 58 1HD2 ASN 58 -5.201 15.615 -0.515 484 2HD2 ASN 58 2HD2 ASN 58 -4.756 15.050 1.062 485 H ASP 59 H ASP 59 -5.802 13.493 -4.964 486 HA ASP 59 HA ASP 59 -4.570 15.474 -6.174 487 1HB ASP 59 1HB ASP 59 -5.389 13.835 -7.626 488 2HB ASP 59 2HB ASP 59 -6.985 13.839 -6.903 489 HD2 ASP 59 HD ASP 59 -8.433 14.803 -7.913 490 H LYS 60 H LYS 60 -7.976 15.489 -4.965 491 HA LYS 60 HA LYS 60 -9.029 17.702 -6.034 492 1HB LYS 60 1HB LYS 60 -9.284 16.305 -3.447 493 2HB LYS 60 2HB LYS 60 -9.831 17.969 -3.427 494 1HG LYS 60 1HG LYS 60 -10.842 16.959 -5.857 495 2HG LYS 60 2HG LYS 60 -11.041 15.627 -4.735 496 1HD LYS 60 1HD LYS 60 -11.892 18.445 -3.972 497 2HD LYS 60 2HD LYS 60 -12.953 17.410 -4.907 498 1HE LYS 60 1HE LYS 60 -13.532 16.200 -3.070 499 2HE LYS 60 2HE LYS 60 -11.856 15.935 -2.633 500 1HZ LYS 60 1HZ LYS 60 -12.560 18.631 -2.113 501 2HZ LYS 60 2HZ LYS 60 -13.635 17.652 -1.378 502 H ASP 61 H ASP 61 -6.550 17.587 -3.422 503 HA ASP 61 HA ASP 61 -6.170 20.432 -3.929 504 1HB ASP 61 1HB ASP 61 -5.359 19.333 -1.268 505 2HB ASP 61 2HB ASP 61 -6.019 20.907 -1.663 506 HD2 ASP 61 HD ASP 61 -7.833 17.550 -1.444 507 H GLU 62 H GLU 62 -4.121 20.718 -4.818 508 HA GLU 62 HA GLU 62 -2.287 18.611 -4.871 509 1HB GLU 62 1HB GLU 62 -2.616 20.597 -6.528 510 2HB GLU 62 2HB GLU 62 -1.606 21.518 -5.430 511 1HG GLU 62 1HG GLU 62 0.294 20.143 -5.808 512 2HG GLU 62 2HG GLU 62 -0.670 18.798 -6.388 513 HE2 GLU 62 HE GLU 62 0.801 19.424 -8.949 514 H ASP 63 H ASP 63 -2.998 21.073 -2.528 515 HA ASP 63 HA ASP 63 -0.408 21.333 -1.480 516 1HB ASP 63 1HB ASP 63 -2.911 22.530 -1.086 517 2HB ASP 63 2HB ASP 63 -2.649 21.680 0.424 518 HD2 ASP 63 HD ASP 63 -1.207 24.575 1.407 519 H ALA 64 H ALA 64 -3.340 19.342 -0.734 520 HA ALA 64 HA ALA 64 -2.058 18.052 1.492 521 1HB ALA 64 1HB ALA 64 -4.167 16.856 1.676 522 2HB ALA 64 2HB ALA 64 -4.509 18.577 1.372 523 3HB ALA 64 3HB ALA 64 -4.656 17.392 0.051 524 H VAL 65 H VAL 65 -2.189 17.707 -1.970 525 HA VAL 65 HA VAL 65 -1.786 14.883 -2.011 526 HB VAL 65 HB VAL 65 -2.537 16.838 -3.802 527 1HG1 VAL 65 1HG1 VAL 65 -0.173 17.464 -4.160 528 2HG1 VAL 65 2HG1 VAL 65 0.182 15.793 -4.662 529 3HG1 VAL 65 3HG1 VAL 65 -0.923 16.798 -5.631 530 1HG2 VAL 65 1HG2 VAL 65 -1.894 14.595 -5.360 531 2HG2 VAL 65 2HG2 VAL 65 -2.200 13.955 -3.727 532 3HG2 VAL 65 3HG2 VAL 65 -3.440 14.936 -4.546 533 H LYS 66 H LYS 66 0.287 17.832 -2.224 534 HA LYS 66 HA LYS 66 2.662 16.295 -2.576 535 1HB LYS 66 1HB LYS 66 2.240 18.655 -3.403 536 2HB LYS 66 2HB LYS 66 2.416 19.197 -1.746 537 1HG LYS 66 1HG LYS 66 4.600 17.385 -2.548 538 2HG LYS 66 2HG LYS 66 4.497 18.787 -3.593 539 1HD LYS 66 1HD LYS 66 4.923 20.304 -1.848 540 2HD LYS 66 2HD LYS 66 4.310 19.223 -0.612 541 1HE LYS 66 1HE LYS 66 6.866 18.665 -2.186 542 2HE LYS 66 2HE LYS 66 6.856 19.518 -0.655 543 1HZ LYS 66 1HZ LYS 66 5.958 17.584 0.423 544 2HZ LYS 66 2HZ LYS 66 5.691 16.807 -0.983 545 H ALA 67 H ALA 67 1.223 18.195 0.163 546 HA ALA 67 HA ALA 67 3.204 17.468 2.003 547 1HB ALA 67 1HB ALA 67 1.974 18.755 3.434 548 2HB ALA 67 2HB ALA 67 1.141 19.238 1.938 549 3HB ALA 67 3HB ALA 67 0.438 17.978 2.980 550 H GLY 68 H GLY 68 -0.117 16.134 1.381 551 1HA GLY 68 1HA GLY 68 -0.121 14.139 3.288 552 2HA GLY 68 2HA GLY 68 -0.979 14.094 1.760 553 H ILE 69 H ILE 69 0.691 13.732 -0.241 554 HA ILE 69 HA ILE 69 1.591 11.131 0.008 555 HB ILE 69 HB ILE 69 1.002 12.565 -2.050 556 1HG1 ILE 69 1HG1 ILE 69 3.272 10.555 -2.052 557 2HG1 ILE 69 2HG1 ILE 69 1.558 10.209 -2.176 558 1HG2 ILE 69 1HG2 ILE 69 3.921 12.955 -2.447 559 2HG2 ILE 69 2HG2 ILE 69 2.537 13.911 -3.030 560 3HG2 ILE 69 3HG2 ILE 69 3.096 14.089 -1.349 561 1HD1 ILE 69 1HD1 ILE 69 1.393 11.078 -4.363 562 2HD1 ILE 69 2HD1 ILE 69 2.852 12.079 -4.177 563 3HD1 ILE 69 3HD1 ILE 69 3.002 10.317 -4.370 564 H LYS 70 H LYS 70 3.169 14.236 0.716 565 HA LYS 70 HA LYS 70 5.800 13.230 0.772 566 1HB LYS 70 1HB LYS 70 5.426 15.579 0.503 567 2HB LYS 70 2HB LYS 70 4.485 15.673 1.978 568 1HG LYS 70 1HG LYS 70 6.737 14.666 3.061 569 2HG LYS 70 2HG LYS 70 7.468 15.390 1.642 570 1HD LYS 70 1HD LYS 70 5.757 17.412 2.523 571 2HD LYS 70 2HD LYS 70 6.295 16.697 4.030 572 1HE LYS 70 1HE LYS 70 8.369 17.264 1.909 573 2HE LYS 70 2HE LYS 70 7.718 18.619 2.810 574 1HZ LYS 70 1HZ LYS 70 8.416 16.431 4.526 575 2HZ LYS 70 2HZ LYS 70 9.704 16.956 3.678 576 H ALA 71 H ALA 71 3.090 13.274 3.082 577 HA ALA 71 HA ALA 71 4.745 12.509 5.292 578 1HB ALA 71 1HB ALA 71 1.883 13.112 4.744 579 2HB ALA 71 2HB ALA 71 2.192 11.961 6.065 580 3HB ALA 71 3HB ALA 71 2.910 13.587 6.117 581 H LEU 72 H LEU 72 2.539 10.913 2.930 582 HA LEU 72 HA LEU 72 2.707 8.378 4.163 583 1HB LEU 72 1HB LEU 72 1.112 9.523 2.302 584 2HB LEU 72 2HB LEU 72 2.148 8.564 1.264 585 HG LEU 72 HG LEU 72 1.539 6.668 3.059 586 1HD1 LEU 72 1HD1 LEU 72 -0.084 8.748 3.937 587 2HD1 LEU 72 2HD1 LEU 72 -1.181 7.696 3.012 588 3HD1 LEU 72 3HD1 LEU 72 -0.231 7.024 4.359 589 1HD2 LEU 72 1HD2 LEU 72 -0.092 7.548 0.668 590 2HD2 LEU 72 2HD2 LEU 72 1.226 6.352 0.721 591 3HD2 LEU 72 3HD2 LEU 72 -0.329 5.999 1.513 592 H GLN 73 H GLN 73 4.814 10.248 2.069 593 HA GLN 73 HA GLN 73 6.208 7.960 1.114 594 1HB GLN 73 1HB GLN 73 5.974 10.226 -0.073 595 2HB GLN 73 2HB GLN 73 7.143 10.858 1.069 596 1HG GLN 73 1HG GLN 73 8.115 8.341 -0.045 597 2HG GLN 73 2HG GLN 73 7.673 9.432 -1.344 598 1HE2 GLN 73 1HE2 GLN 73 10.190 8.893 -1.311 599 2HE2 GLN 73 2HE2 GLN 73 11.182 10.148 -0.648 600 H GLU 74 H GLU 74 6.836 10.607 3.513 601 HA GLU 74 HA GLU 74 9.339 9.716 4.253 602 1HB GLU 74 1HB GLU 74 9.222 11.326 5.950 603 2HB GLU 74 2HB GLU 74 8.056 11.937 4.793 604 1HG GLU 74 1HG GLU 74 6.693 12.024 6.648 605 2HG GLU 74 2HG GLU 74 6.391 10.349 6.232 606 HE2 GLU 74 HE GLU 74 6.135 10.666 8.876 607 H ALA 75 H ALA 75 6.083 8.614 5.119 608 HA ALA 75 HA ALA 75 7.098 7.025 7.324 609 1HB ALA 75 1HB ALA 75 4.604 8.206 6.562 610 2HB ALA 75 2HB ALA 75 4.370 6.445 6.639 611 3HB ALA 75 3HB ALA 75 4.996 7.322 8.055 612 H SER 76 H SER 76 7.686 6.742 4.224 613 HA SER 76 HA SER 76 6.513 4.459 3.310 614 1HB SER 76 1HB SER 76 9.160 5.815 2.821 615 2HB SER 76 2HB SER 76 8.912 4.222 2.134 616 HG SER 76 HG SER 76 6.836 6.145 1.777 617 H GLY 77 H GLY 77 9.928 4.585 4.568 618 1HA GLY 77 1HA GLY 77 10.300 1.895 4.941 619 2HA GLY 77 2HA GLY 77 11.092 3.158 5.861 620 H PHE 78 H PHE 78 8.212 4.078 6.736 621 HA PHE 78 HA PHE 78 8.236 2.548 9.143 622 1HB PHE 78 1HB PHE 78 7.132 5.016 7.991 623 2HB PHE 78 2HB PHE 78 5.849 4.142 8.805 624 HD1 PHE 78 HD1 PHE 78 5.884 3.838 11.213 625 HD2 PHE 78 HD2 PHE 78 9.017 5.917 9.247 626 HE1 PHE 78 HE1 PHE 78 6.668 4.742 13.420 627 HE2 PHE 78 HE2 PHE 78 9.801 6.821 11.453 628 HZ PHE 78 HZ PHE 78 8.617 6.224 13.514 629 H ILE 79 H ILE 79 6.079 2.865 6.261 630 HA ILE 79 HA ILE 79 4.126 1.094 7.306 631 HB ILE 79 HB ILE 79 3.337 1.112 4.910 632 1HG1 ILE 79 1HG1 ILE 79 5.416 3.271 4.515 633 2HG1 ILE 79 2HG1 ILE 79 5.683 1.612 4.019 634 1HG2 ILE 79 1HG2 ILE 79 2.879 3.696 5.065 635 2HG2 ILE 79 2HG2 ILE 79 2.171 2.569 6.246 636 3HG2 ILE 79 3HG2 ILE 79 3.616 3.515 6.676 637 1HD1 ILE 79 1HD1 ILE 79 4.140 1.721 2.298 638 2HD1 ILE 79 2HD1 ILE 79 3.080 2.849 3.180 639 3HD1 ILE 79 3HD1 ILE 79 4.555 3.449 2.385 640 H ARG 80 H ARG 80 7.031 0.775 5.221 641 HA ARG 80 HA ARG 80 6.495 -1.859 4.495 642 1HB ARG 80 1HB ARG 80 8.083 -0.697 3.147 643 2HB ARG 80 2HB ARG 80 8.977 -0.110 4.535 644 1HG ARG 80 1HG ARG 80 9.895 -2.317 4.991 645 2HG ARG 80 2HG ARG 80 8.809 -3.076 3.842 646 1HD ARG 80 1HD ARG 80 10.689 -2.921 2.490 647 2HD ARG 80 2HD ARG 80 9.982 -1.359 2.128 648 HE ARG 80 HE ARG 80 11.649 -0.292 3.444 649 1HH1 ARG 80 2HH2 ARG 80 11.905 -3.815 3.716 650 2HH1 ARG 80 1HH2 ARG 80 13.470 -3.768 4.458 651 1HH2 ARG 80 1HH ARG 80 14.512 -1.649 4.866 652 H SER 81 H SER 81 8.489 -0.344 7.112 653 HA SER 81 HA SER 81 9.405 -2.822 8.079 654 1HB SER 81 1HB SER 81 10.513 -0.550 8.399 655 2HB SER 81 2HB SER 81 9.262 -0.163 9.564 656 HG SER 81 HG SER 81 11.535 -1.689 9.890 657 H LEU 82 H LEU 82 6.602 -0.701 8.697 658 HA LEU 82 HA LEU 82 5.834 -1.884 11.136 659 1HB LEU 82 1HB LEU 82 5.101 0.313 10.519 660 2HB LEU 82 2HB LEU 82 4.337 -0.286 9.060 661 HG LEU 82 HG LEU 82 3.332 -1.538 11.532 662 1HD1 LEU 82 1HD1 LEU 82 3.386 1.424 11.234 663 2HD1 LEU 82 2HD1 LEU 82 1.871 0.679 11.797 664 3HD1 LEU 82 3HD1 LEU 82 3.383 0.412 12.698 665 1HD2 LEU 82 1HD2 LEU 82 2.328 -0.610 8.902 666 2HD2 LEU 82 2HD2 LEU 82 1.957 -2.085 9.828 667 3HD2 LEU 82 3HD2 LEU 82 1.174 -0.545 10.257 668 H LEU 83 H LEU 83 5.332 -2.689 7.698 669 HA LEU 83 HA LEU 83 3.280 -4.581 8.210 670 1HB LEU 83 1HB LEU 83 5.019 -3.871 5.872 671 2HB LEU 83 2HB LEU 83 4.035 -5.322 5.831 672 HG LEU 83 HG LEU 83 2.898 -2.571 6.378 673 1HD1 LEU 83 1HD1 LEU 83 2.450 -2.231 4.133 674 2HD1 LEU 83 2HD1 LEU 83 4.087 -2.929 4.097 675 3HD1 LEU 83 3HD1 LEU 83 2.677 -3.946 3.715 676 1HD2 LEU 83 1HD2 LEU 83 1.785 -5.051 6.794 677 2HD2 LEU 83 2HD2 LEU 83 0.889 -3.533 6.549 678 3HD2 LEU 83 3HD2 LEU 83 1.186 -4.622 5.174 679 H GLY 84 H GLY 84 6.826 -4.840 7.479 680 1HA GLY 84 1HA GLY 84 7.120 -7.559 7.578 681 2HA GLY 84 2HA GLY 84 8.328 -6.400 8.094 682 H LYS 85 H LYS 85 7.118 -5.214 10.351 683 HA LYS 85 HA LYS 85 7.508 -7.311 12.249 684 1HB LYS 85 1HB LYS 85 7.378 -4.379 12.226 685 2HB LYS 85 2HB LYS 85 6.622 -5.084 13.640 686 1HG LYS 85 1HG LYS 85 8.853 -6.619 13.592 687 2HG LYS 85 2HG LYS 85 9.493 -5.220 12.754 688 1HD LYS 85 1HD LYS 85 8.027 -5.032 15.424 689 2HD LYS 85 2HD LYS 85 9.766 -5.201 15.301 690 1HE LYS 85 1HE LYS 85 8.999 -3.082 13.513 691 2HE LYS 85 2HE LYS 85 8.163 -2.802 15.027 692 1HZ LYS 85 1HZ LYS 85 10.288 -2.941 16.185 693 2HZ LYS 85 2HZ LYS 85 11.086 -3.295 14.812 694 H ALA 86 H ALA 86 4.739 -5.379 10.999 695 HA ALA 86 HA ALA 86 2.846 -6.307 12.820 696 1HB ALA 86 1HB ALA 86 2.398 -4.385 11.453 697 2HB ALA 86 2HB ALA 86 2.667 -5.308 9.955 698 3HB ALA 86 3HB ALA 86 1.240 -5.644 10.963 699 H MET 87 H MET 87 4.332 -7.764 9.942 700 HA MET 87 HA MET 87 2.521 -10.025 10.297 701 1HB MET 87 1HB MET 87 3.209 -8.524 7.983 702 2HB MET 87 2HB MET 87 4.139 -10.001 7.821 703 1HG MET 87 1HG MET 87 1.860 -11.200 8.456 704 2HG MET 87 2HG MET 87 1.128 -9.678 7.991 705 1HE MET 87 1HE MET 87 3.024 -9.071 4.695 706 2HE MET 87 2HE MET 87 1.252 -8.980 4.829 707 3HE MET 87 3HE MET 87 2.276 -8.385 6.157 708 H ARG 88 H ARG 88 5.295 -9.130 11.538 709 HA ARG 88 HA ARG 88 7.374 -9.976 11.676 710 1HB ARG 88 1HB ARG 88 5.323 -11.861 12.838 711 2HB ARG 88 2HB ARG 88 7.000 -12.371 12.882 712 1HG ARG 88 1HG ARG 88 7.519 -10.039 13.904 713 2HG ARG 88 2HG ARG 88 5.789 -9.865 14.119 714 1HD ARG 88 1HD ARG 88 6.881 -12.463 15.089 715 2HD ARG 88 2HD ARG 88 7.489 -11.061 15.949 716 HE ARG 88 HE ARG 88 4.731 -10.632 15.773 717 1HH1 ARG 88 2HH2 ARG 88 6.802 -13.177 17.109 718 2HH1 ARG 88 1HH2 ARG 88 5.669 -13.625 18.339 719 1HH2 ARG 88 1HH ARG 88 3.577 -12.463 18.489 720 H LEU 89 H LEU 89 7.947 -10.238 9.357 721 HA LEU 89 HA LEU 89 7.935 -13.069 8.569 722 1HB LEU 89 1HB LEU 89 6.638 -11.019 7.283 723 2HB LEU 89 2HB LEU 89 8.162 -11.086 6.420 724 HG LEU 89 HG LEU 89 7.802 -13.468 5.928 725 1HD1 LEU 89 1HD1 LEU 89 5.034 -13.760 6.519 726 2HD1 LEU 89 2HD1 LEU 89 6.411 -14.713 7.121 727 3HD1 LEU 89 3HD1 LEU 89 5.868 -13.273 8.015 728 1HD2 LEU 89 1HD2 LEU 89 6.362 -13.136 4.156 729 2HD2 LEU 89 2HD2 LEU 89 5.273 -12.085 5.092 730 3HD2 LEU 89 3HD2 LEU 89 6.851 -11.471 4.547 731 H ARG 90 H ARG 90 9.692 -12.532 6.279 732 HA ARG 90 HA ARG 90 12.049 -11.509 7.598 733 1HB ARG 90 1HB ARG 90 12.057 -14.195 6.139 734 2HB ARG 90 2HB ARG 90 13.393 -13.476 7.018 735 1HG ARG 90 1HG ARG 90 11.357 -13.514 8.934 736 2HG ARG 90 2HG ARG 90 11.064 -14.994 8.042 737 1HD ARG 90 1HD ARG 90 13.543 -15.561 8.329 738 2HD ARG 90 2HD ARG 90 13.684 -14.168 9.380 739 HE ARG 90 HE ARG 90 11.537 -16.064 10.096 740 1HH1 ARG 90 2HH2 ARG 90 14.887 -15.056 10.645 741 2HH1 ARG 90 1HH2 ARG 90 15.000 -15.836 12.188 742 1HH2 ARG 90 1HH ARG 90 13.104 -17.028 13.041 743 H ILE 91 H ILE 91 10.460 -12.823 4.634 744 HA ILE 91 HA ILE 91 12.187 -12.311 2.679 745 HB ILE 91 HB ILE 91 10.093 -11.476 1.385 746 1HG1 ILE 91 1HG1 ILE 91 8.384 -12.750 3.393 747 2HG1 ILE 91 2HG1 ILE 91 9.074 -11.241 3.956 748 1HG2 ILE 91 1HG2 ILE 91 11.040 -14.050 2.241 749 2HG2 ILE 91 2HG2 ILE 91 9.265 -14.078 2.101 750 3HG2 ILE 91 3HG2 ILE 91 10.258 -13.580 0.711 751 1HD1 ILE 91 1HD1 ILE 91 7.843 -9.986 2.496 752 2HD1 ILE 91 2HD1 ILE 91 8.099 -11.128 1.155 753 3HD1 ILE 91 3HD1 ILE 91 6.829 -11.442 2.362 754 H VAL 92 H VAL 92 10.501 -9.873 4.670 755 HA VAL 92 HA VAL 92 10.433 -7.603 4.322 756 HB VAL 92 HB VAL 92 13.316 -8.306 4.910 757 1HG1 VAL 92 1HG1 VAL 92 13.604 -6.076 4.658 758 2HG1 VAL 92 2HG1 VAL 92 11.866 -5.725 4.808 759 3HG1 VAL 92 3HG1 VAL 92 12.849 -5.997 6.268 760 1HG2 VAL 92 1HG2 VAL 92 10.825 -8.473 6.468 761 2HG2 VAL 92 2HG2 VAL 92 12.404 -9.250 6.737 762 3HG2 VAL 92 3HG2 VAL 92 12.130 -7.579 7.285 763 HA PRO 93 HA PRO 93 12.145 -7.542 0.081 764 1HB PRO 93 1HB PRO 93 9.809 -7.445 -1.333 765 2HB PRO 93 2HB PRO 93 10.693 -8.929 -1.044 766 1HG PRO 93 1HG PRO 93 8.200 -7.979 0.230 767 2HG PRO 93 2HG PRO 93 8.858 -9.603 0.182 768 1HD PRO 93 1HD PRO 93 8.926 -7.788 2.403 769 2HD PRO 93 2HD PRO 93 9.685 -9.365 2.315 770 H GLU 94 H GLU 94 12.100 -5.824 -1.584 771 HA GLU 94 HA GLU 94 11.902 -3.390 -0.211 772 1HB GLU 94 1HB GLU 94 13.327 -4.211 -2.346 773 2HB GLU 94 2HB GLU 94 12.003 -3.459 -3.214 774 1HG GLU 94 1HG GLU 94 12.377 -1.323 -2.083 775 2HG GLU 94 2HG GLU 94 13.539 -2.046 -0.989 776 HE2 GLU 94 HE GLU 94 14.770 -0.583 -4.355 777 H LEU 95 H LEU 95 9.528 -3.862 0.452 778 HA LEU 95 HA LEU 95 7.539 -3.605 -1.551 779 1HB LEU 95 1HB LEU 95 7.596 -4.547 0.973 780 2HB LEU 95 2HB LEU 95 6.921 -2.958 1.273 781 HG LEU 95 HG LEU 95 5.503 -4.035 -0.940 782 1HD1 LEU 95 1HD1 LEU 95 5.193 -5.981 1.303 783 2HD1 LEU 95 2HD1 LEU 95 4.879 -6.171 -0.439 784 3HD1 LEU 95 3HD1 LEU 95 6.550 -6.202 0.172 785 1HD2 LEU 95 1HD2 LEU 95 4.914 -3.271 1.894 786 2HD2 LEU 95 2HD2 LEU 95 4.312 -2.578 0.368 787 3HD2 LEU 95 3HD2 LEU 95 3.673 -4.134 0.952 788 H THR 96 H THR 96 8.055 -1.749 -2.796 789 HA THR 96 HA THR 96 8.432 0.781 -1.527 790 HB THR 96 HB THR 96 9.216 -0.216 -3.880 791 HG1 THR 96 HG1 THR 96 9.784 1.907 -3.257 792 1HG2 THR 96 1HG2 THR 96 6.470 -0.048 -4.398 793 2HG2 THR 96 2HG2 THR 96 7.084 1.503 -5.020 794 3HG2 THR 96 3HG2 THR 96 7.747 -0.030 -5.640 795 H PHE 97 H PHE 97 6.996 2.705 -2.361 796 HA PHE 97 HA PHE 97 4.195 1.874 -2.129 797 1HB PHE 97 1HB PHE 97 5.789 3.154 -0.180 798 2HB PHE 97 2HB PHE 97 5.008 4.508 -0.972 799 HD1 PHE 97 HD1 PHE 97 3.559 1.140 -0.404 800 HD2 PHE 97 HD2 PHE 97 3.535 5.236 0.702 801 HE1 PHE 97 HE1 PHE 97 1.495 0.756 0.972 802 HE2 PHE 97 HE2 PHE 97 1.472 4.853 2.079 803 HZ PHE 97 HZ PHE 97 0.477 2.618 2.198 804 H PHE 98 H PHE 98 3.227 2.427 -4.026 805 HA PHE 98 HA PHE 98 4.182 4.860 -5.343 806 1HB PHE 98 1HB PHE 98 3.264 2.155 -6.101 807 2HB PHE 98 2HB PHE 98 2.307 3.368 -6.928 808 HD1 PHE 98 HD1 PHE 98 5.563 1.792 -6.671 809 HD2 PHE 98 HD2 PHE 98 3.396 4.965 -8.471 810 HE1 PHE 98 HE1 PHE 98 7.390 2.077 -8.368 811 HE2 PHE 98 HE2 PHE 98 5.222 5.250 -10.168 812 HZ PHE 98 HZ PHE 98 7.198 3.803 -10.097 813 H TYR 99 H TYR 99 2.953 6.669 -5.173 814 HA TYR 99 HA TYR 99 0.188 6.339 -4.292 815 1HB TYR 99 1HB TYR 99 1.524 9.008 -4.742 816 2HB TYR 99 2HB TYR 99 0.569 8.489 -3.366 817 HD1 TYR 99 HD1 TYR 99 1.602 7.367 -1.462 818 HD2 TYR 99 HD2 TYR 99 3.939 8.550 -4.845 819 HE1 TYR 99 HE1 TYR 99 3.735 7.023 -0.119 820 HE2 TYR 99 HE2 TYR 99 6.062 8.202 -3.491 821 HH TYR 99 HH TYR 99 6.633 6.647 -1.409 822 H ASP 100 H ASP 100 -1.230 6.058 -5.964 823 HA ASP 100 HA ASP 100 -0.758 7.701 -8.318 824 1HB ASP 100 1HB ASP 100 -1.199 5.001 -8.166 825 2HB ASP 100 2HB ASP 100 -2.854 5.557 -8.321 826 HD2 ASP 100 HD ASP 100 -3.227 6.622 -10.791 827 H ASN 101 H ASN 101 -1.817 9.653 -7.610 828 HA ASN 101 HA ASN 101 -4.512 9.351 -6.607 829 1HB ASN 101 1HB ASN 101 -4.240 11.945 -6.351 830 2HB ASN 101 2HB ASN 101 -3.298 10.921 -5.287 831 1HD2 ASN 101 1HD2 ASN 101 -1.331 11.618 -5.017 832 2HD2 ASN 101 2HD2 ASN 101 -0.297 12.347 -6.198 833 H SER 102 H SER 102 -5.734 11.711 -7.480 834 HA SER 102 HA SER 102 -5.989 11.154 -10.290 835 1HB SER 102 1HB SER 102 -7.956 11.433 -8.659 836 2HB SER 102 2HB SER 102 -7.580 13.144 -8.621 837 HG SER 102 HG SER 102 -8.801 13.284 -10.369 838 H LEU 103 H LEU 103 -3.690 12.730 -8.813 839 HA LEU 103 HA LEU 103 -3.966 15.268 -10.237 840 1HB LEU 103 1HB LEU 103 -3.459 15.248 -7.804 841 2HB LEU 103 2HB LEU 103 -1.951 14.424 -8.149 842 HG LEU 103 HG LEU 103 -2.113 16.792 -9.777 843 1HD1 LEU 103 1HD1 LEU 103 -1.982 18.437 -7.840 844 2HD1 LEU 103 2HD1 LEU 103 -3.598 17.823 -8.268 845 3HD1 LEU 103 3HD1 LEU 103 -2.743 17.169 -6.848 846 1HD2 LEU 103 1HD2 LEU 103 -0.199 15.307 -8.439 847 2HD2 LEU 103 2HD2 LEU 103 0.066 16.836 -9.311 848 3HD2 LEU 103 3HD2 LEU 103 -0.221 16.851 -7.554 849 H VAL 104 H VAL 104 -3.020 12.197 -10.928 850 HA VAL 104 HA VAL 104 -0.896 13.180 -12.700 851 HB VAL 104 HB VAL 104 -0.884 10.975 -10.732 852 1HG1 VAL 104 1HG1 VAL 104 0.698 9.618 -12.105 853 2HG1 VAL 104 2HG1 VAL 104 -0.967 9.625 -12.736 854 3HG1 VAL 104 3HG1 VAL 104 0.285 10.626 -13.512 855 1HG2 VAL 104 1HG2 VAL 104 1.606 11.441 -10.917 856 2HG2 VAL 104 2HG2 VAL 104 1.188 12.759 -12.035 857 3HG2 VAL 104 3HG2 VAL 104 0.599 12.796 -10.356 858 H GLU 105 H GLU 105 -4.009 12.001 -12.383 859 HA GLU 105 HA GLU 105 -3.912 11.072 -15.119 860 1HB GLU 105 1HB GLU 105 -5.450 9.502 -13.018 861 2HB GLU 105 2HB GLU 105 -5.163 9.056 -14.688 862 1HG GLU 105 1HG GLU 105 -2.586 9.285 -13.930 863 2HG GLU 105 2HG GLU 105 -3.269 8.974 -12.345 864 HE2 GLU 105 HE GLU 105 -3.880 7.537 -15.578 865 H GLY 106 H GLY 106 -5.830 12.021 -12.220 866 1HA GLY 106 1HA GLY 106 -7.449 13.669 -12.201 867 2HA GLY 106 2HA GLY 106 -7.586 13.585 -13.945 868 H MET 107 H MET 107 -7.504 10.521 -12.226 869 HA MET 107 HA MET 107 -10.338 10.412 -11.911 870 1HB MET 107 1HB MET 107 -10.809 8.814 -13.620 871 2HB MET 107 2HB MET 107 -9.698 9.906 -14.423 872 1HG MET 107 1HG MET 107 -8.023 8.019 -13.130 873 2HG MET 107 2HG MET 107 -9.351 7.065 -13.763 874 1HE MET 107 1HE MET 107 -6.438 9.736 -16.022 875 2HE MET 107 2HE MET 107 -8.012 10.510 -15.712 876 3HE MET 107 3HE MET 107 -7.033 9.907 -14.353 877 H ARG 108 H ARG 108 -7.983 10.183 -10.186 878 HA ARG 108 HA ARG 108 -8.302 7.385 -9.445 879 1HB ARG 108 1HB ARG 108 -5.868 9.031 -9.812 880 2HB ARG 108 2HB ARG 108 -5.905 8.238 -8.250 881 1HG ARG 108 1HG ARG 108 -4.869 6.632 -9.650 882 2HG ARG 108 2HG ARG 108 -6.526 6.070 -9.553 883 1HD ARG 108 1HD ARG 108 -6.561 7.867 -11.725 884 2HD ARG 108 2HD ARG 108 -5.022 7.046 -11.893 885 HE ARG 108 HE ARG 108 -7.692 5.835 -12.138 886 1HH1 ARG 108 2HH2 ARG 108 -4.234 5.217 -11.677 887 2HH1 ARG 108 1HH2 ARG 108 -4.326 3.577 -12.230 888 1HH2 ARG 108 1HH ARG 108 -6.443 2.691 -12.925 Start of MODEL 3 1 H MET 1 H MET 1 -13.690 -8.908 -1.665 2 HA MET 1 HA MET 1 -11.925 -9.843 -3.257 3 1HB MET 1 1HB MET 1 -11.886 -7.680 -1.237 4 2HB MET 1 2HB MET 1 -10.263 -8.206 -1.638 5 1HG MET 1 1HG MET 1 -10.852 -6.429 -3.187 6 2HG MET 1 2HG MET 1 -10.832 -7.927 -4.097 7 1HE MET 1 1HE MET 1 -14.061 -4.992 -4.122 8 2HE MET 1 2HE MET 1 -13.136 -5.054 -2.603 9 3HE MET 1 3HE MET 1 -12.284 -4.905 -4.160 10 H ALA 2 H ALA 2 -11.145 -11.962 -3.063 11 HA ALA 2 HA ALA 2 -8.767 -12.355 -1.709 12 1HB ALA 2 1HB ALA 2 -9.910 -14.184 -0.098 13 2HB ALA 2 2HB ALA 2 -9.627 -12.504 0.416 14 3HB ALA 2 3HB ALA 2 -11.239 -13.000 -0.152 15 H LYS 3 H LYS 3 -8.158 -14.793 -1.759 16 HA LYS 3 HA LYS 3 -9.787 -16.302 -3.623 17 1HB LYS 3 1HB LYS 3 -8.319 -14.899 -5.049 18 2HB LYS 3 2HB LYS 3 -6.911 -15.579 -4.260 19 1HG LYS 3 1HG LYS 3 -7.203 -17.693 -5.233 20 2HG LYS 3 2HG LYS 3 -8.936 -17.498 -5.403 21 1HD LYS 3 1HD LYS 3 -8.591 -15.841 -7.229 22 2HD LYS 3 2HD LYS 3 -6.854 -15.978 -7.042 23 1HE LYS 3 1HE LYS 3 -6.773 -18.129 -7.980 24 2HE LYS 3 2HE LYS 3 -8.414 -18.518 -7.503 25 1HZ LYS 3 1HZ LYS 3 -8.863 -18.031 -9.658 26 2HZ LYS 3 2HZ LYS 3 -8.806 -16.466 -9.211 27 H GLU 4 H GLU 4 -10.152 -17.644 -1.768 28 HA GLU 4 HA GLU 4 -7.952 -18.678 -0.343 29 1HB GLU 4 1HB GLU 4 -9.774 -20.302 0.528 30 2HB GLU 4 2HB GLU 4 -9.981 -18.594 0.867 31 1HG GLU 4 1HG GLU 4 -11.152 -19.406 -1.731 32 2HG GLU 4 2HG GLU 4 -11.861 -20.251 -0.370 33 HE2 GLU 4 HE GLU 4 -11.869 -18.293 1.544 34 H PHE 5 H PHE 5 -6.523 -19.570 -1.954 35 HA PHE 5 HA PHE 5 -7.370 -22.220 -2.799 36 1HB PHE 5 1HB PHE 5 -7.448 -20.030 -4.517 37 2HB PHE 5 2HB PHE 5 -5.790 -20.547 -4.748 38 HD1 PHE 5 HD1 PHE 5 -7.040 -23.540 -4.028 39 HD2 PHE 5 HD2 PHE 5 -7.548 -20.571 -7.016 40 HE1 PHE 5 HE1 PHE 5 -7.813 -25.298 -5.644 41 HE2 PHE 5 HE2 PHE 5 -8.321 -22.328 -8.632 42 HZ PHE 5 HZ PHE 5 -8.444 -24.671 -7.927 43 H GLY 6 H GLY 6 -5.219 -23.134 -4.135 44 1HA GLY 6 1HA GLY 6 -3.096 -22.932 -2.129 45 2HA GLY 6 2HA GLY 6 -3.303 -24.185 -3.336 46 H ARG 7 H ARG 7 -3.946 -21.303 -4.935 47 HA ARG 7 HA ARG 7 -1.422 -21.429 -6.222 48 1HB ARG 7 1HB ARG 7 -4.070 -20.412 -6.803 49 2HB ARG 7 2HB ARG 7 -2.930 -19.104 -7.044 50 1HG ARG 7 1HG ARG 7 -1.550 -21.108 -8.276 51 2HG ARG 7 2HG ARG 7 -3.179 -21.707 -8.518 52 1HD ARG 7 1HD ARG 7 -3.569 -20.172 -10.149 53 2HD ARG 7 2HD ARG 7 -3.125 -18.853 -9.085 54 HE ARG 7 HE ARG 7 -0.945 -18.859 -9.984 55 1HH1 ARG 7 2HH2 ARG 7 -2.701 -21.734 -11.084 56 2HH1 ARG 7 1HH2 ARG 7 -1.504 -22.165 -12.260 57 1HH2 ARG 7 1HH ARG 7 0.447 -20.796 -12.509 58 HA PRO 8 HA PRO 8 0.396 -17.862 -4.458 59 1HB PRO 8 1HB PRO 8 1.239 -16.269 -6.512 60 2HB PRO 8 2HB PRO 8 2.091 -17.717 -6.010 61 1HG PRO 8 1HG PRO 8 0.386 -17.301 -8.389 62 2HG PRO 8 2HG PRO 8 1.564 -18.562 -8.091 63 1HD PRO 8 1HD PRO 8 -1.289 -18.808 -7.934 64 2HD PRO 8 2HD PRO 8 -0.107 -20.034 -7.523 65 H GLN 9 H GLN 9 -2.532 -17.597 -5.767 66 HA GLN 9 HA GLN 9 -2.710 -14.747 -5.504 67 1HB GLN 9 1HB GLN 9 -4.082 -16.669 -6.996 68 2HB GLN 9 2HB GLN 9 -5.244 -16.246 -5.754 69 1HG GLN 9 1HG GLN 9 -5.453 -14.050 -6.489 70 2HG GLN 9 2HG GLN 9 -3.793 -13.956 -7.041 71 1HE2 GLN 9 1HE2 GLN 9 -5.625 -12.926 -8.637 72 2HE2 GLN 9 2HE2 GLN 9 -5.924 -13.900 -10.038 73 H ARG 10 H ARG 10 -3.454 -17.703 -3.669 74 HA ARG 10 HA ARG 10 -5.251 -16.609 -1.895 75 1HB ARG 10 1HB ARG 10 -4.481 -19.091 -2.258 76 2HB ARG 10 2HB ARG 10 -3.194 -18.724 -1.127 77 1HG ARG 10 1HG ARG 10 -6.060 -18.065 -0.390 78 2HG ARG 10 2HG ARG 10 -5.490 -19.715 -0.244 79 1HD ARG 10 1HD ARG 10 -3.497 -17.940 0.902 80 2HD ARG 10 2HD ARG 10 -5.064 -17.539 1.579 81 HE ARG 10 HE ARG 10 -5.101 -20.257 1.778 82 1HH1 ARG 10 2HH2 ARG 10 -2.597 -17.907 2.651 83 2HH1 ARG 10 1HH2 ARG 10 -1.951 -18.884 3.928 84 1HH2 ARG 10 1HH ARG 10 -2.938 -21.018 4.386 85 H VAL 11 H VAL 11 -1.642 -16.981 -1.707 86 HA VAL 11 HA VAL 11 -1.440 -15.720 0.815 87 HB VAL 11 HB VAL 11 0.399 -16.633 -1.346 88 1HG1 VAL 11 1HG1 VAL 11 1.289 -14.849 0.946 89 2HG1 VAL 11 2HG1 VAL 11 2.356 -15.703 -0.193 90 3HG1 VAL 11 3HG1 VAL 11 1.282 -14.409 -0.779 91 1HG2 VAL 11 1HG2 VAL 11 0.835 -17.119 1.569 92 2HG2 VAL 11 2HG2 VAL 11 -0.572 -17.891 0.798 93 3HG2 VAL 11 3HG2 VAL 11 1.067 -18.205 0.177 94 H ALA 12 H ALA 12 -1.283 -14.624 -2.602 95 HA ALA 12 HA ALA 12 -0.316 -12.062 -2.105 96 1HB ALA 12 1HB ALA 12 -1.982 -11.827 -4.308 97 2HB ALA 12 2HB ALA 12 -0.287 -12.373 -4.345 98 3HB ALA 12 3HB ALA 12 -1.606 -13.567 -4.282 99 H GLN 13 H GLN 13 -3.654 -13.431 -2.096 100 HA GLN 13 HA GLN 13 -4.912 -10.971 -1.767 101 1HB GLN 13 1HB GLN 13 -5.776 -13.807 -1.067 102 2HB GLN 13 2HB GLN 13 -6.844 -12.426 -0.934 103 1HG GLN 13 1HG GLN 13 -6.198 -13.952 -3.288 104 2HG GLN 13 2HG GLN 13 -7.329 -12.621 -3.139 105 1HE2 GLN 13 1HE2 GLN 13 -6.554 -10.451 -3.356 106 2HE2 GLN 13 2HE2 GLN 13 -5.179 -10.090 -4.345 107 H GLU 14 H GLU 14 -4.425 -13.625 0.683 108 HA GLU 14 HA GLU 14 -5.251 -12.362 2.866 109 1HB GLU 14 1HB GLU 14 -3.373 -14.523 2.274 110 2HB GLU 14 2HB GLU 14 -2.879 -13.659 3.716 111 1HG GLU 14 1HG GLU 14 -5.134 -13.956 4.705 112 2HG GLU 14 2HG GLU 14 -5.700 -14.734 3.241 113 HE2 GLU 14 HE GLU 14 -5.354 -17.307 5.166 114 H MET 15 H MET 15 -2.136 -11.842 1.164 115 HA MET 15 HA MET 15 -1.144 -10.139 3.206 116 1HB MET 15 1HB MET 15 -0.301 -11.158 0.510 117 2HB MET 15 2HB MET 15 0.367 -9.597 0.944 118 1HG MET 15 1HG MET 15 1.300 -10.516 3.034 119 2HG MET 15 2HG MET 15 0.513 -12.057 2.752 120 1HE MET 15 1HE MET 15 3.419 -10.866 3.230 121 2HE MET 15 2HE MET 15 4.600 -11.539 2.081 122 3HE MET 15 3HE MET 15 3.862 -9.949 1.770 123 H GLN 16 H GLN 16 -2.892 -9.767 0.104 124 HA GLN 16 HA GLN 16 -2.453 -7.020 -0.126 125 1HB GLN 16 1HB GLN 16 -3.311 -8.762 -1.877 126 2HB GLN 16 2HB GLN 16 -4.899 -8.460 -1.202 127 1HG GLN 16 1HG GLN 16 -3.379 -5.979 -1.782 128 2HG GLN 16 2HG GLN 16 -3.683 -6.953 -3.205 129 1HE2 GLN 16 1HE2 GLN 16 -4.928 -4.932 -3.666 130 2HE2 GLN 16 2HE2 GLN 16 -6.596 -4.875 -3.201 131 H LYS 17 H LYS 17 -4.846 -9.014 1.618 132 HA LYS 17 HA LYS 17 -6.545 -6.788 2.201 133 1HB LYS 17 1HB LYS 17 -7.930 -8.331 3.251 134 2HB LYS 17 2HB LYS 17 -7.186 -9.271 1.974 135 1HG LYS 17 1HG LYS 17 -5.664 -10.346 3.494 136 2HG LYS 17 2HG LYS 17 -5.971 -9.175 4.761 137 1HD LYS 17 1HD LYS 17 -8.525 -10.220 4.190 138 2HD LYS 17 2HD LYS 17 -7.470 -11.615 4.074 139 1HE LYS 17 1HE LYS 17 -6.564 -11.179 6.330 140 2HE LYS 17 2HE LYS 17 -7.478 -9.688 6.444 141 1HZ LYS 17 1HZ LYS 17 -8.883 -11.165 7.500 142 2HZ LYS 17 2HZ LYS 17 -9.482 -11.305 5.992 143 H GLU 18 H GLU 18 -3.893 -8.595 3.813 144 HA GLU 18 HA GLU 18 -4.228 -7.324 6.278 145 1HB GLU 18 1HB GLU 18 -2.984 -9.478 5.887 146 2HB GLU 18 2HB GLU 18 -1.705 -8.572 5.102 147 1HG GLU 18 1HG GLU 18 -0.798 -8.511 7.208 148 2HG GLU 18 2HG GLU 18 -1.883 -7.152 7.427 149 HE2 GLU 18 HE GLU 18 -2.467 -10.566 9.349 150 H ILE 19 H ILE 19 -2.188 -6.644 3.378 151 HA ILE 19 HA ILE 19 -0.886 -4.433 4.610 152 HB ILE 19 HB ILE 19 0.182 -4.133 2.540 153 1HG1 ILE 19 1HG1 ILE 19 -2.089 -5.716 1.313 154 2HG1 ILE 19 2HG1 ILE 19 -1.692 -4.030 1.039 155 1HG2 ILE 19 1HG2 ILE 19 -0.130 -6.805 3.641 156 2HG2 ILE 19 2HG2 ILE 19 0.311 -6.840 1.917 157 3HG2 ILE 19 3HG2 ILE 19 1.331 -5.959 3.079 158 1HD1 ILE 19 1HD1 ILE 19 0.707 -5.185 0.390 159 2HD1 ILE 19 2HD1 ILE 19 -0.418 -6.485 -0.073 160 3HD1 ILE 19 3HD1 ILE 19 -0.586 -4.865 -0.792 161 H ALA 20 H ALA 20 -3.725 -4.916 2.457 162 HA ALA 20 HA ALA 20 -4.166 -2.236 1.857 163 1HB ALA 20 1HB ALA 20 -5.976 -4.663 2.086 164 2HB ALA 20 2HB ALA 20 -6.560 -3.080 1.523 165 3HB ALA 20 3HB ALA 20 -5.291 -3.934 0.614 166 H LEU 21 H LEU 21 -4.953 -4.225 4.726 167 HA LEU 21 HA LEU 21 -6.694 -2.295 5.864 168 1HB LEU 21 1HB LEU 21 -6.929 -4.595 6.434 169 2HB LEU 21 2HB LEU 21 -5.258 -4.713 6.947 170 HG LEU 21 HG LEU 21 -6.438 -2.668 8.521 171 1HD1 LEU 21 1HD1 LEU 21 -8.258 -4.996 8.028 172 2HD1 LEU 21 2HD1 LEU 21 -8.180 -4.267 9.649 173 3HD1 LEU 21 3HD1 LEU 21 -8.640 -3.272 8.247 174 1HD2 LEU 21 1HD2 LEU 21 -4.586 -4.362 9.019 175 2HD2 LEU 21 2HD2 LEU 21 -5.716 -3.966 10.335 176 3HD2 LEU 21 3HD2 LEU 21 -5.897 -5.492 9.435 177 H ILE 22 H ILE 22 -3.338 -3.361 6.785 178 HA ILE 22 HA ILE 22 -2.924 -1.256 8.552 179 HB ILE 22 HB ILE 22 -0.936 -2.891 6.973 180 1HG1 ILE 22 1HG1 ILE 22 -1.920 -3.350 9.797 181 2HG1 ILE 22 2HG1 ILE 22 -2.626 -4.139 8.401 182 1HG2 ILE 22 1HG2 ILE 22 -0.126 -0.704 8.036 183 2HG2 ILE 22 2HG2 ILE 22 -0.417 -1.503 9.600 184 3HG2 ILE 22 3HG2 ILE 22 0.747 -2.199 8.447 185 1HD1 ILE 22 1HD1 ILE 22 0.269 -4.332 9.342 186 2HD1 ILE 22 2HD1 ILE 22 -0.947 -5.631 9.320 187 3HD1 ILE 22 3HD1 ILE 22 -0.307 -4.987 7.790 188 H LEU 23 H LEU 23 -3.065 -1.340 5.080 189 HA LEU 23 HA LEU 23 -1.448 1.042 4.793 190 1HB LEU 23 1HB LEU 23 -1.257 -0.695 3.136 191 2HB LEU 23 2HB LEU 23 -2.981 -0.667 2.833 192 HG LEU 23 HG LEU 23 -1.433 1.859 2.405 193 1HD1 LEU 23 1HD1 LEU 23 -0.414 -0.414 1.308 194 2HD1 LEU 23 2HD1 LEU 23 -1.564 0.092 0.047 195 3HD1 LEU 23 3HD1 LEU 23 -0.287 1.208 0.586 196 1HD2 LEU 23 1HD2 LEU 23 -3.205 2.503 1.167 197 2HD2 LEU 23 2HD2 LEU 23 -3.457 0.882 0.476 198 3HD2 LEU 23 3HD2 LEU 23 -4.048 1.254 2.114 199 H GLN 24 H GLN 24 -4.707 0.174 5.544 200 HA GLN 24 HA GLN 24 -5.563 2.839 4.725 201 1HB GLN 24 1HB GLN 24 -6.914 0.177 4.742 202 2HB GLN 24 2HB GLN 24 -7.907 1.523 5.261 203 1HG GLN 24 1HG GLN 24 -6.860 2.702 3.086 204 2HG GLN 24 2HG GLN 24 -6.611 1.044 2.576 205 1HE2 GLN 24 1HE2 GLN 24 -8.133 0.388 1.281 206 2HE2 GLN 24 2HE2 GLN 24 -9.832 0.707 1.396 207 H ARG 25 H ARG 25 -4.687 0.847 7.367 208 HA ARG 25 HA ARG 25 -6.333 2.426 9.164 209 1HB ARG 25 1HB ARG 25 -5.787 -0.336 9.093 210 2HB ARG 25 2HB ARG 25 -4.750 0.243 10.382 211 1HG ARG 25 1HG ARG 25 -6.730 1.384 11.437 212 2HG ARG 25 2HG ARG 25 -7.757 0.752 10.165 213 1HD ARG 25 1HD ARG 25 -7.675 -1.432 10.981 214 2HD ARG 25 2HD ARG 25 -6.059 -1.248 11.636 215 HE ARG 25 HE ARG 25 -8.508 -0.824 13.067 216 1HH1 ARG 25 2HH2 ARG 25 -5.279 0.597 12.723 217 2HH1 ARG 25 1HH2 ARG 25 -5.271 1.273 14.318 218 1HH2 ARG 25 1HH ARG 25 -7.172 0.949 15.740 219 H GLU 26 H GLU 26 -3.028 0.876 9.115 220 HA GLU 26 HA GLU 26 -1.992 2.620 11.011 221 1HB GLU 26 1HB GLU 26 -0.323 1.104 10.918 222 2HB GLU 26 2HB GLU 26 -1.125 0.338 9.563 223 1HG GLU 26 1HG GLU 26 0.982 0.855 8.652 224 2HG GLU 26 2HG GLU 26 0.011 2.207 8.106 225 HE2 GLU 26 HE GLU 26 0.415 3.879 10.824 226 H ILE 27 H ILE 27 -2.814 3.101 7.704 227 HA ILE 27 HA ILE 27 -0.789 5.104 7.234 228 HB ILE 27 HB ILE 27 -2.075 3.394 5.610 229 1HG1 ILE 27 1HG1 ILE 27 -0.795 6.068 5.054 230 2HG1 ILE 27 2HG1 ILE 27 -0.103 4.465 4.905 231 1HG2 ILE 27 1HG2 ILE 27 -4.259 4.345 5.796 232 2HG2 ILE 27 2HG2 ILE 27 -3.639 5.982 5.467 233 3HG2 ILE 27 3HG2 ILE 27 -3.624 4.750 4.182 234 1HD1 ILE 27 1HD1 ILE 27 -2.132 5.816 3.102 235 2HD1 ILE 27 2HD1 ILE 27 -0.579 5.063 2.666 236 3HD1 ILE 27 3HD1 ILE 27 -1.966 4.044 3.115 237 H LYS 28 H LYS 28 -1.907 7.233 6.109 238 HA LYS 28 HA LYS 28 -3.632 8.259 8.244 239 1HB LYS 28 1HB LYS 28 -2.796 10.484 7.547 240 2HB LYS 28 2HB LYS 28 -1.529 9.416 8.112 241 1HG LYS 28 1HG LYS 28 -1.769 8.933 5.305 242 2HG LYS 28 2HG LYS 28 -1.825 10.674 5.503 243 1HD LYS 28 1HD LYS 28 0.501 10.125 5.292 244 2HD LYS 28 2HD LYS 28 0.254 10.476 6.992 245 1HE LYS 28 1HE LYS 28 -0.009 7.622 5.992 246 2HE LYS 28 2HE LYS 28 1.581 8.297 6.281 247 1HZ LYS 28 1HZ LYS 28 0.502 7.151 8.242 248 2HZ LYS 28 2HZ LYS 28 1.048 8.650 8.560 249 H ASP 29 H ASP 29 -5.440 7.064 7.131 250 HA ASP 29 HA ASP 29 -6.183 8.188 4.598 251 1HB ASP 29 1HB ASP 29 -7.060 6.103 4.421 252 2HB ASP 29 2HB ASP 29 -6.765 5.788 6.119 253 HD2 ASP 29 HD ASP 29 -8.723 4.702 6.306 254 HA PRO 30 HA PRO 30 -9.652 9.633 7.547 255 1HB PRO 30 1HB PRO 30 -9.458 9.155 10.230 256 2HB PRO 30 2HB PRO 30 -10.350 8.118 9.133 257 1HG PRO 30 1HG PRO 30 -7.716 7.652 10.393 258 2HG PRO 30 2HG PRO 30 -8.802 6.490 9.657 259 1HD PRO 30 1HD PRO 30 -6.399 7.559 8.511 260 2HD PRO 30 2HD PRO 30 -7.546 6.488 7.730 261 H ARG 31 H ARG 31 -6.399 10.058 7.965 262 HA ARG 31 HA ARG 31 -6.732 12.393 9.591 263 1HB ARG 31 1HB ARG 31 -4.695 11.437 10.165 264 2HB ARG 31 2HB ARG 31 -4.449 10.747 8.573 265 1HG ARG 31 1HG ARG 31 -3.928 13.054 7.689 266 2HG ARG 31 2HG ARG 31 -4.098 13.691 9.311 267 1HD ARG 31 1HD ARG 31 -2.328 11.581 9.716 268 2HD ARG 31 2HD ARG 31 -1.862 12.137 8.120 269 HE ARG 31 HE ARG 31 -0.992 14.076 9.089 270 1HH1 ARG 31 2HH2 ARG 31 -3.286 12.622 11.364 271 2HH1 ARG 31 1HH2 ARG 31 -2.925 13.740 12.635 272 1HH2 ARG 31 1HH ARG 31 -1.293 15.455 12.262 273 H LEU 32 H LEU 32 -6.274 11.446 6.195 274 HA LEU 32 HA LEU 32 -5.660 14.142 5.373 275 1HB LEU 32 1HB LEU 32 -5.839 11.463 4.068 276 2HB LEU 32 2HB LEU 32 -5.995 12.895 3.068 277 HG LEU 32 HG LEU 32 -3.807 13.545 3.384 278 1HD1 LEU 32 1HD1 LEU 32 -3.753 13.731 5.764 279 2HD1 LEU 32 2HD1 LEU 32 -3.804 11.962 5.963 280 3HD1 LEU 32 3HD1 LEU 32 -2.363 12.739 5.263 281 1HD2 LEU 32 1HD2 LEU 32 -2.505 11.772 2.711 282 2HD2 LEU 32 2HD2 LEU 32 -3.269 10.633 3.846 283 3HD2 LEU 32 3HD2 LEU 32 -4.139 11.147 2.380 284 H GLY 33 H GLY 33 -8.441 12.301 6.175 285 1HA GLY 33 1HA GLY 33 -10.596 13.066 6.225 286 2HA GLY 33 2HA GLY 33 -10.161 14.418 5.198 287 H MET 34 H MET 34 -8.919 11.424 3.994 288 HA MET 34 HA MET 34 -11.317 10.884 2.481 289 1HB MET 34 1HB MET 34 -8.612 11.302 1.104 290 2HB MET 34 2HB MET 34 -10.166 11.081 0.323 291 1HG MET 34 1HG MET 34 -10.965 13.251 1.147 292 2HG MET 34 2HG MET 34 -9.535 13.454 2.140 293 1HE MET 34 1HE MET 34 -7.129 15.099 0.330 294 2HE MET 34 2HE MET 34 -7.539 13.984 1.656 295 3HE MET 34 3HE MET 34 -6.731 13.370 0.194 296 H MET 35 H MET 35 -11.094 8.798 1.185 297 HA MET 35 HA MET 35 -9.322 7.027 2.669 298 1HB MET 35 1HB MET 35 -11.964 6.790 2.525 299 2HB MET 35 2HB MET 35 -11.667 6.169 0.914 300 1HG MET 35 1HG MET 35 -9.818 4.822 2.637 301 2HG MET 35 2HG MET 35 -11.359 4.815 3.473 302 1HE MET 35 1HE MET 35 -13.668 3.777 2.330 303 2HE MET 35 2HE MET 35 -13.234 2.102 1.914 304 3HE MET 35 3HE MET 35 -12.562 2.859 3.379 305 H THR 36 H THR 36 -8.141 5.339 1.518 306 HA THR 36 HA THR 36 -7.726 6.026 -1.317 307 HB THR 36 HB THR 36 -5.636 6.463 -0.399 308 HG1 THR 36 HG1 THR 36 -4.470 4.593 -0.922 309 1HG2 THR 36 1HG2 THR 36 -4.735 5.234 1.612 310 2HG2 THR 36 2HG2 THR 36 -6.246 6.101 1.979 311 3HG2 THR 36 3HG2 THR 36 -6.270 4.340 1.719 312 H THR 37 H THR 37 -6.724 4.056 -2.552 313 HA THR 37 HA THR 37 -8.081 1.599 -1.700 314 HB THR 37 HB THR 37 -8.478 3.229 -4.228 315 HG1 THR 37 HG1 THR 37 -10.082 1.448 -2.530 316 1HG2 THR 37 1HG2 THR 37 -7.743 0.926 -4.987 317 2HG2 THR 37 2HG2 THR 37 -8.998 0.222 -3.940 318 3HG2 THR 37 3HG2 THR 37 -9.461 1.243 -5.322 319 H VAL 38 H VAL 38 -7.333 -0.317 -3.082 320 HA VAL 38 HA VAL 38 -4.491 0.079 -3.718 321 HB VAL 38 HB VAL 38 -5.675 -2.423 -2.529 322 1HG1 VAL 38 1HG1 VAL 38 -2.816 -1.480 -2.340 323 2HG1 VAL 38 2HG1 VAL 38 -3.472 -3.128 -2.192 324 3HG1 VAL 38 3HG1 VAL 38 -3.408 -2.336 -3.785 325 1HG2 VAL 38 1HG2 VAL 38 -5.178 0.120 -1.210 326 2HG2 VAL 38 2HG2 VAL 38 -5.936 -1.361 -0.580 327 3HG2 VAL 38 3HG2 VAL 38 -4.166 -1.177 -0.530 328 H SER 39 H SER 39 -5.403 0.512 -5.924 329 HA SER 39 HA SER 39 -6.667 -1.712 -7.186 330 1HB SER 39 1HB SER 39 -6.461 1.079 -7.657 331 2HB SER 39 2HB SER 39 -5.655 0.326 -9.019 332 HG SER 39 HG SER 39 -8.153 -0.781 -8.209 333 H GLY 40 H GLY 40 -3.643 -1.441 -6.094 334 1HA GLY 40 1HA GLY 40 -2.540 -3.110 -8.199 335 2HA GLY 40 2HA GLY 40 -1.739 -1.571 -7.962 336 H VAL 41 H VAL 41 -1.369 -4.712 -7.233 337 HA VAL 41 HA VAL 41 0.106 -4.087 -4.820 338 HB VAL 41 HB VAL 41 -1.843 -4.701 -3.734 339 1HG1 VAL 41 1HG1 VAL 41 -2.501 -5.980 -6.191 340 2HG1 VAL 41 2HG1 VAL 41 -2.653 -7.193 -4.898 341 3HG1 VAL 41 3HG1 VAL 41 -3.554 -5.661 -4.792 342 1HG2 VAL 41 1HG2 VAL 41 -0.722 -7.478 -3.989 343 2HG2 VAL 41 2HG2 VAL 41 0.286 -6.182 -3.303 344 3HG2 VAL 41 3HG2 VAL 41 -1.268 -6.597 -2.541 345 H GLU 42 H GLU 42 2.097 -4.975 -5.013 346 HA GLU 42 HA GLU 42 2.274 -7.421 -6.577 347 1HB GLU 42 1HB GLU 42 4.159 -5.035 -6.833 348 2HB GLU 42 2HB GLU 42 4.358 -6.574 -7.649 349 1HG GLU 42 1HG GLU 42 2.843 -6.029 -9.260 350 2HG GLU 42 2HG GLU 42 1.660 -5.498 -8.080 351 HE2 GLU 42 HE GLU 42 4.390 -3.239 -9.800 352 H MET 43 H MET 43 3.410 -9.012 -5.528 353 HA MET 43 HA MET 43 5.250 -8.118 -3.454 354 1HB MET 43 1HB MET 43 3.898 -10.707 -2.924 355 2HB MET 43 2HB MET 43 4.144 -9.354 -1.840 356 1HG MET 43 1HG MET 43 2.254 -8.133 -3.029 357 2HG MET 43 2HG MET 43 1.964 -9.583 -3.970 358 1HE MET 43 1HE MET 43 -0.542 -8.622 -1.003 359 2HE MET 43 2HE MET 43 0.946 -8.068 -0.200 360 3HE MET 43 3HE MET 43 0.633 -7.629 -1.896 361 H SER 44 H SER 44 7.238 -8.676 -4.271 362 HA SER 44 HA SER 44 7.404 -11.299 -5.529 363 1HB SER 44 1HB SER 44 8.349 -8.730 -6.348 364 2HB SER 44 2HB SER 44 9.772 -9.669 -5.939 365 HG SER 44 HG SER 44 7.668 -10.668 -7.655 366 H ARG 45 H ARG 45 8.047 -12.778 -3.987 367 HA ARG 45 HA ARG 45 9.996 -11.857 -2.052 368 1HB ARG 45 1HB ARG 45 8.782 -14.597 -1.837 369 2HB ARG 45 2HB ARG 45 9.133 -13.442 -0.569 370 1HG ARG 45 1HG ARG 45 7.188 -12.102 -2.043 371 2HG ARG 45 2HG ARG 45 6.670 -13.770 -2.191 372 1HD ARG 45 1HD ARG 45 7.510 -12.997 0.562 373 2HD ARG 45 2HD ARG 45 6.106 -12.130 -0.030 374 HE ARG 45 HE ARG 45 4.865 -14.134 -0.015 375 1HH1 ARG 45 2HH2 ARG 45 8.301 -14.861 0.453 376 2HH1 ARG 45 1HH2 ARG 45 8.020 -16.517 0.873 377 1HH2 ARG 45 1HH ARG 45 5.775 -17.354 0.918 378 H ASP 46 H ASP 46 9.912 -13.292 -5.059 379 HA ASP 46 HA ASP 46 11.441 -15.558 -4.792 380 1HB ASP 46 1HB ASP 46 10.387 -13.971 -6.885 381 2HB ASP 46 2HB ASP 46 12.112 -13.991 -7.187 382 HD2 ASP 46 HD ASP 46 9.878 -16.434 -6.087 383 H LEU 47 H LEU 47 12.195 -12.227 -4.237 384 HA LEU 47 HA LEU 47 15.012 -12.895 -3.983 385 1HB LEU 47 1HB LEU 47 14.180 -11.653 -6.257 386 2HB LEU 47 2HB LEU 47 14.510 -10.271 -5.231 387 HG LEU 47 HG LEU 47 16.696 -12.127 -5.016 388 1HD1 LEU 47 1HD1 LEU 47 17.515 -12.042 -7.346 389 2HD1 LEU 47 2HD1 LEU 47 16.034 -13.014 -7.167 390 3HD1 LEU 47 3HD1 LEU 47 15.943 -11.374 -7.853 391 1HD2 LEU 47 1HD2 LEU 47 18.009 -10.247 -5.396 392 2HD2 LEU 47 2HD2 LEU 47 16.787 -9.474 -6.433 393 3HD2 LEU 47 3HD2 LEU 47 16.528 -9.571 -4.674 394 H ALA 48 H ALA 48 12.961 -9.897 -3.891 395 HA ALA 48 HA ALA 48 12.370 -9.680 -1.318 396 1HB ALA 48 1HB ALA 48 14.527 -8.234 -0.591 397 2HB ALA 48 2HB ALA 48 14.396 -9.981 -0.282 398 3HB ALA 48 3HB ALA 48 15.323 -9.394 -1.682 399 H TYR 49 H TYR 49 11.147 -8.701 -3.411 400 HA TYR 49 HA TYR 49 11.377 -5.846 -3.051 401 1HB TYR 49 1HB TYR 49 11.621 -5.511 -5.527 402 2HB TYR 49 2HB TYR 49 12.969 -6.456 -4.929 403 HD1 TYR 49 HD1 TYR 49 13.156 -8.858 -5.446 404 HD2 TYR 49 HD2 TYR 49 9.938 -6.498 -6.988 405 HE1 TYR 49 HE1 TYR 49 12.625 -10.676 -7.141 406 HE2 TYR 49 HE2 TYR 49 9.417 -8.323 -8.677 407 HH TYR 49 HH TYR 49 10.246 -10.149 -9.666 408 H ALA 50 H ALA 50 9.373 -4.909 -3.102 409 HA ALA 50 HA ALA 50 7.256 -6.367 -4.500 410 1HB ALA 50 1HB ALA 50 5.983 -5.397 -2.253 411 2HB ALA 50 2HB ALA 50 6.526 -7.077 -2.476 412 3HB ALA 50 3HB ALA 50 7.552 -5.919 -1.596 413 H LYS 51 H LYS 51 5.296 -4.935 -4.841 414 HA LYS 51 HA LYS 51 5.928 -2.098 -4.694 415 1HB LYS 51 1HB LYS 51 4.800 -2.808 -7.296 416 2HB LYS 51 2HB LYS 51 6.118 -1.725 -6.894 417 1HG LYS 51 1HG LYS 51 7.585 -3.785 -6.512 418 2HG LYS 51 2HG LYS 51 6.272 -4.764 -7.137 419 1HD LYS 51 1HD LYS 51 7.246 -4.419 -9.175 420 2HD LYS 51 2HD LYS 51 6.463 -2.852 -9.115 421 1HE LYS 51 1HE LYS 51 8.515 -1.881 -8.035 422 2HE LYS 51 2HE LYS 51 9.296 -3.446 -8.134 423 1HZ LYS 51 1HZ LYS 51 8.577 -3.143 -10.671 424 2HZ LYS 51 2HZ LYS 51 8.719 -1.567 -10.285 425 H VAL 52 H VAL 52 4.306 -1.598 -3.268 426 HA VAL 52 HA VAL 52 1.650 -2.668 -3.857 427 HB VAL 52 HB VAL 52 2.968 -2.661 -1.554 428 1HG1 VAL 52 1HG1 VAL 52 1.361 -0.118 -1.261 429 2HG1 VAL 52 2HG1 VAL 52 2.550 -0.823 -0.140 430 3HG1 VAL 52 3HG1 VAL 52 3.093 -0.100 -1.673 431 1HG2 VAL 52 1HG2 VAL 52 0.593 -2.442 -0.452 432 2HG2 VAL 52 2HG2 VAL 52 0.036 -2.364 -2.140 433 3HG2 VAL 52 3HG2 VAL 52 0.946 -3.783 -1.567 434 H TYR 53 H TYR 53 0.074 -1.412 -4.738 435 HA TYR 53 HA TYR 53 0.769 1.382 -5.223 436 1HB TYR 53 1HB TYR 53 -0.382 -0.790 -6.664 437 2HB TYR 53 2HB TYR 53 -1.766 0.212 -6.272 438 HD1 TYR 53 HD1 TYR 53 1.764 0.892 -7.386 439 HD2 TYR 53 HD2 TYR 53 -2.412 1.572 -8.027 440 HE1 TYR 53 HE1 TYR 53 2.306 2.419 -9.346 441 HE2 TYR 53 HE2 TYR 53 -1.854 3.095 -9.985 442 HH TYR 53 HH TYR 53 0.566 4.580 -10.479 443 H VAL 54 H VAL 54 -0.779 3.101 -4.842 444 HA VAL 54 HA VAL 54 -3.101 2.468 -3.257 445 HB VAL 54 HB VAL 54 -2.203 4.257 -1.552 446 1HG1 VAL 54 1HG1 VAL 54 -2.872 1.838 -1.161 447 2HG1 VAL 54 2HG1 VAL 54 -1.154 1.420 -1.367 448 3HG1 VAL 54 3HG1 VAL 54 -1.655 2.500 -0.043 449 1HG2 VAL 54 1HG2 VAL 54 -0.099 4.748 -2.637 450 2HG2 VAL 54 2HG2 VAL 54 0.227 3.923 -1.095 451 3HG2 VAL 54 3HG2 VAL 54 0.357 3.027 -2.628 452 H THR 55 H THR 55 -4.714 3.838 -3.848 453 HA THR 55 HA THR 55 -3.882 6.323 -5.197 454 HB THR 55 HB THR 55 -4.949 5.148 -6.908 455 HG1 THR 55 HG1 THR 55 -7.241 5.924 -5.256 456 1HG2 THR 55 1HG2 THR 55 -6.941 3.622 -6.454 457 2HG2 THR 55 2HG2 THR 55 -5.422 3.047 -5.728 458 3HG2 THR 55 3HG2 THR 55 -6.644 3.849 -4.713 459 H PHE 56 H PHE 56 -4.524 8.232 -4.385 460 HA PHE 56 HA PHE 56 -6.590 8.102 -2.301 461 1HB PHE 56 1HB PHE 56 -4.274 10.099 -2.544 462 2HB PHE 56 2HB PHE 56 -5.266 9.809 -1.127 463 HD1 PHE 56 HD1 PHE 56 -2.818 8.096 -3.354 464 HD2 PHE 56 HD2 PHE 56 -4.503 8.374 0.532 465 HE1 PHE 56 HE1 PHE 56 -1.119 6.458 -2.499 466 HE2 PHE 56 HE2 PHE 56 -2.804 6.735 1.385 467 HZ PHE 56 HZ PHE 56 -1.133 5.797 -0.140 468 H LEU 57 H LEU 57 -7.646 10.329 -1.924 469 HA LEU 57 HA LEU 57 -8.197 11.461 -4.562 470 1HB LEU 57 1HB LEU 57 -9.982 10.433 -3.029 471 2HB LEU 57 2HB LEU 57 -9.798 11.875 -2.048 472 HG LEU 57 HG LEU 57 -10.246 13.157 -4.284 473 1HD1 LEU 57 1HD1 LEU 57 -10.326 11.690 -6.010 474 2HD1 LEU 57 2HD1 LEU 57 -10.906 10.346 -4.997 475 3HD1 LEU 57 3HD1 LEU 57 -12.039 11.610 -5.531 476 1HD2 LEU 57 1HD2 LEU 57 -12.471 11.674 -2.856 477 2HD2 LEU 57 2HD2 LEU 57 -11.701 13.183 -2.308 478 3HD2 LEU 57 3HD2 LEU 57 -12.637 13.161 -3.822 479 H ASN 58 H ASN 58 -5.874 11.960 -2.475 480 HA ASN 58 HA ASN 58 -6.172 14.442 -1.400 481 1HB ASN 58 1HB ASN 58 -3.960 12.633 -2.097 482 2HB ASN 58 2HB ASN 58 -3.476 14.303 -2.306 483 1HD2 ASN 58 1HD2 ASN 58 -4.975 15.580 -0.394 484 2HD2 ASN 58 2HD2 ASN 58 -4.479 15.104 1.195 485 H ASP 59 H ASP 59 -5.883 13.417 -4.738 486 HA ASP 59 HA ASP 59 -4.577 15.395 -5.978 487 1HB ASP 59 1HB ASP 59 -5.440 13.650 -7.331 488 2HB ASP 59 2HB ASP 59 -7.061 13.820 -6.689 489 HD2 ASP 59 HD ASP 59 -8.355 14.660 -7.964 490 H LYS 60 H LYS 60 -7.923 15.390 -4.638 491 HA LYS 60 HA LYS 60 -9.063 17.559 -5.713 492 1HB LYS 60 1HB LYS 60 -9.142 16.288 -3.028 493 2HB LYS 60 2HB LYS 60 -9.818 17.900 -3.140 494 1HG LYS 60 1HG LYS 60 -10.745 16.501 -5.452 495 2HG LYS 60 2HG LYS 60 -10.920 15.385 -4.112 496 1HD LYS 60 1HD LYS 60 -11.890 18.270 -3.943 497 2HD LYS 60 2HD LYS 60 -12.904 16.985 -4.572 498 1HE LYS 60 1HE LYS 60 -12.392 15.713 -2.362 499 2HE LYS 60 2HE LYS 60 -11.743 17.229 -1.766 500 1HZ LYS 60 1HZ LYS 60 -14.322 17.564 -2.978 501 2HZ LYS 60 2HZ LYS 60 -14.380 16.524 -1.727 502 H ASP 61 H ASP 61 -6.466 17.544 -3.217 503 HA ASP 61 HA ASP 61 -6.153 20.380 -3.808 504 1HB ASP 61 1HB ASP 61 -5.232 19.328 -1.155 505 2HB ASP 61 2HB ASP 61 -5.870 20.909 -1.558 506 HD2 ASP 61 HD ASP 61 -9.166 19.995 -1.286 507 H GLU 62 H GLU 62 -4.140 20.694 -4.770 508 HA GLU 62 HA GLU 62 -2.282 18.611 -4.881 509 1HB GLU 62 1HB GLU 62 -2.718 20.618 -6.514 510 2HB GLU 62 2HB GLU 62 -1.618 21.509 -5.479 511 1HG GLU 62 1HG GLU 62 -0.043 19.392 -5.788 512 2HG GLU 62 2HG GLU 62 -1.048 19.073 -7.188 513 HE2 GLU 62 HE GLU 62 0.874 21.493 -5.717 514 H ASP 63 H ASP 63 -2.934 21.076 -2.526 515 HA ASP 63 HA ASP 63 -0.294 21.338 -1.579 516 1HB ASP 63 1HB ASP 63 -2.791 22.562 -1.119 517 2HB ASP 63 2HB ASP 63 -2.426 21.785 0.409 518 HD2 ASP 63 HD ASP 63 0.242 24.490 -0.861 519 H ALA 64 H ALA 64 -3.220 19.385 -0.751 520 HA ALA 64 HA ALA 64 -1.934 18.148 1.503 521 1HB ALA 64 1HB ALA 64 -4.397 18.678 1.330 522 2HB ALA 64 2HB ALA 64 -4.524 17.407 0.090 523 3HB ALA 64 3HB ALA 64 -4.037 16.986 1.750 524 H VAL 65 H VAL 65 -2.117 17.699 -1.956 525 HA VAL 65 HA VAL 65 -1.660 14.881 -1.897 526 HB VAL 65 HB VAL 65 -2.562 16.690 -3.730 527 1HG1 VAL 65 1HG1 VAL 65 -1.012 16.830 -5.572 528 2HG1 VAL 65 2HG1 VAL 65 -0.218 17.474 -4.117 529 3HG1 VAL 65 3HG1 VAL 65 0.185 15.842 -4.701 530 1HG2 VAL 65 1HG2 VAL 65 -3.314 14.671 -4.344 531 2HG2 VAL 65 2HG2 VAL 65 -1.815 14.518 -5.294 532 3HG2 VAL 65 3HG2 VAL 65 -1.901 13.844 -3.649 533 H LYS 66 H LYS 66 0.330 17.868 -2.248 534 HA LYS 66 HA LYS 66 2.732 16.403 -2.671 535 1HB LYS 66 1HB LYS 66 3.809 18.548 -2.600 536 2HB LYS 66 2HB LYS 66 2.327 18.698 -3.521 537 1HG LYS 66 1HG LYS 66 1.182 19.520 -1.387 538 2HG LYS 66 2HG LYS 66 2.756 19.538 -0.617 539 1HD LYS 66 1HD LYS 66 2.748 20.916 -3.236 540 2HD LYS 66 2HD LYS 66 1.632 21.634 -2.092 541 1HE LYS 66 1HE LYS 66 3.355 22.109 -0.511 542 2HE LYS 66 2HE LYS 66 4.466 20.960 -1.232 543 1HZ LYS 66 1HZ LYS 66 3.607 23.538 -2.430 544 2HZ LYS 66 2HZ LYS 66 5.103 23.164 -1.903 545 H ALA 67 H ALA 67 1.374 18.274 0.133 546 HA ALA 67 HA ALA 67 3.429 17.531 1.889 547 1HB ALA 67 1HB ALA 67 1.975 19.470 2.244 548 2HB ALA 67 2HB ALA 67 0.555 18.406 2.392 549 3HB ALA 67 3HB ALA 67 1.841 18.351 3.622 550 H GLY 68 H GLY 68 0.060 16.247 1.427 551 1HA GLY 68 1HA GLY 68 0.060 14.268 3.319 552 2HA GLY 68 2HA GLY 68 -0.782 14.191 1.783 553 H ILE 69 H ILE 69 0.900 13.784 -0.194 554 HA ILE 69 HA ILE 69 1.779 11.193 0.079 555 HB ILE 69 HB ILE 69 1.300 12.662 -1.991 556 1HG1 ILE 69 1HG1 ILE 69 3.366 10.479 -1.779 557 2HG1 ILE 69 2HG1 ILE 69 1.697 10.367 -2.299 558 1HG2 ILE 69 1HG2 ILE 69 4.197 12.957 -2.400 559 2HG2 ILE 69 2HG2 ILE 69 2.855 14.048 -2.816 560 3HG2 ILE 69 3HG2 ILE 69 3.512 14.038 -1.163 561 1HD1 ILE 69 1HD1 ILE 69 2.762 12.230 -4.087 562 2HD1 ILE 69 2HD1 ILE 69 4.097 11.075 -3.855 563 3HD1 ILE 69 3HD1 ILE 69 2.510 10.499 -4.420 564 H LYS 70 H LYS 70 3.391 14.270 0.846 565 HA LYS 70 HA LYS 70 5.999 13.246 0.989 566 1HB LYS 70 1HB LYS 70 4.636 15.731 1.456 567 2HB LYS 70 2HB LYS 70 5.685 15.400 2.821 568 1HG LYS 70 1HG LYS 70 7.312 16.306 1.481 569 2HG LYS 70 2HG LYS 70 7.366 14.702 0.776 570 1HD LYS 70 1HD LYS 70 7.153 16.215 -1.075 571 2HD LYS 70 2HD LYS 70 5.578 15.473 -0.888 572 1HE LYS 70 1HE LYS 70 5.118 17.803 -1.145 573 2HE LYS 70 2HE LYS 70 4.931 17.503 0.572 574 1HZ LYS 70 1HZ LYS 70 7.014 18.497 1.013 575 2HZ LYS 70 2HZ LYS 70 7.520 18.418 -0.533 576 H ALA 71 H ALA 71 3.230 13.282 3.242 577 HA ALA 71 HA ALA 71 4.780 12.454 5.483 578 1HB ALA 71 1HB ALA 71 1.982 13.096 4.818 579 2HB ALA 71 2HB ALA 71 2.145 11.775 6.000 580 3HB ALA 71 3HB ALA 71 2.886 13.358 6.329 581 H LEU 72 H LEU 72 2.867 10.866 2.895 582 HA LEU 72 HA LEU 72 3.017 8.293 4.091 583 1HB LEU 72 1HB LEU 72 1.359 9.293 2.351 584 2HB LEU 72 2HB LEU 72 2.558 8.802 1.172 585 HG LEU 72 HG LEU 72 2.402 6.461 2.109 586 1HD1 LEU 72 1HD1 LEU 72 0.985 5.858 3.756 587 2HD1 LEU 72 2HD1 LEU 72 1.161 7.563 4.233 588 3HD1 LEU 72 3HD1 LEU 72 -0.252 7.046 3.283 589 1HD2 LEU 72 1HD2 LEU 72 0.882 5.941 0.533 590 2HD2 LEU 72 2HD2 LEU 72 -0.338 7.066 1.180 591 3HD2 LEU 72 3HD2 LEU 72 0.978 7.677 0.150 592 H GLN 73 H GLN 73 5.188 10.317 2.240 593 HA GLN 73 HA GLN 73 6.706 8.137 1.235 594 1HB GLN 73 1HB GLN 73 6.451 10.694 0.434 595 2HB GLN 73 2HB GLN 73 7.859 10.907 1.456 596 1HG GLN 73 1HG GLN 73 7.719 8.715 -0.658 597 2HG GLN 73 2HG GLN 73 8.290 10.331 -1.031 598 1HE2 GLN 73 1HE2 GLN 73 9.588 7.640 -0.929 599 2HE2 GLN 73 2HE2 GLN 73 10.999 7.823 0.059 600 H GLU 74 H GLU 74 7.017 10.547 3.916 601 HA GLU 74 HA GLU 74 9.510 9.601 4.750 602 1HB GLU 74 1HB GLU 74 9.307 11.141 6.513 603 2HB GLU 74 2HB GLU 74 8.292 11.849 5.271 604 1HG GLU 74 1HG GLU 74 6.765 11.944 6.997 605 2HG GLU 74 2HG GLU 74 6.414 10.309 6.473 606 HE2 GLU 74 HE GLU 74 8.637 11.062 9.705 607 H ALA 75 H ALA 75 6.158 8.606 5.361 608 HA ALA 75 HA ALA 75 6.947 6.910 7.573 609 1HB ALA 75 1HB ALA 75 4.279 7.288 6.151 610 2HB ALA 75 2HB ALA 75 4.542 6.409 7.677 611 3HB ALA 75 3HB ALA 75 4.811 8.166 7.606 612 H SER 76 H SER 76 7.760 6.706 4.508 613 HA SER 76 HA SER 76 6.602 4.451 3.477 614 1HB SER 76 1HB SER 76 9.298 5.773 3.140 615 2HB SER 76 2HB SER 76 9.006 4.233 2.358 616 HG SER 76 HG SER 76 8.483 6.212 1.071 617 H GLY 77 H GLY 77 9.980 4.528 4.830 618 1HA GLY 77 1HA GLY 77 10.292 1.821 5.185 619 2HA GLY 77 2HA GLY 77 11.105 3.065 6.115 620 H PHE 78 H PHE 78 8.213 4.028 6.947 621 HA PHE 78 HA PHE 78 8.197 2.533 9.371 622 1HB PHE 78 1HB PHE 78 7.079 4.966 8.149 623 2HB PHE 78 2HB PHE 78 5.801 4.095 8.973 624 HD1 PHE 78 HD1 PHE 78 6.478 3.263 11.421 625 HD2 PHE 78 HD2 PHE 78 8.286 6.506 9.364 626 HE1 PHE 78 HE1 PHE 78 7.234 4.230 13.609 627 HE2 PHE 78 HE2 PHE 78 9.043 7.472 11.554 628 HZ PHE 78 HZ PHE 78 8.507 6.322 13.651 629 H ILE 79 H ILE 79 6.119 2.750 6.428 630 HA ILE 79 HA ILE 79 4.162 0.976 7.481 631 HB ILE 79 HB ILE 79 3.393 0.962 5.080 632 1HG1 ILE 79 1HG1 ILE 79 5.438 3.151 4.674 633 2HG1 ILE 79 2HG1 ILE 79 5.749 1.489 4.214 634 1HG2 ILE 79 1HG2 ILE 79 3.008 2.756 7.095 635 2HG2 ILE 79 2HG2 ILE 79 3.568 3.818 5.782 636 3HG2 ILE 79 3HG2 ILE 79 2.148 2.773 5.536 637 1HD1 ILE 79 1HD1 ILE 79 4.715 3.126 2.439 638 2HD1 ILE 79 2HD1 ILE 79 4.056 1.477 2.566 639 3HD1 ILE 79 3HD1 ILE 79 3.191 2.841 3.314 640 H ARG 80 H ARG 80 7.109 0.684 5.458 641 HA ARG 80 HA ARG 80 6.623 -1.955 4.722 642 1HB ARG 80 1HB ARG 80 8.233 -0.602 3.485 643 2HB ARG 80 2HB ARG 80 9.185 -0.305 4.926 644 1HG ARG 80 1HG ARG 80 9.015 -3.134 4.730 645 2HG ARG 80 2HG ARG 80 9.282 -2.582 3.088 646 1HD ARG 80 1HD ARG 80 11.470 -2.889 4.061 647 2HD ARG 80 2HD ARG 80 11.217 -1.158 3.968 648 HE ARG 80 HE ARG 80 10.249 -2.006 6.502 649 1HH1 ARG 80 2HH2 ARG 80 13.341 -1.811 4.782 650 2HH1 ARG 80 1HH2 ARG 80 14.277 -1.635 6.229 651 1HH2 ARG 80 1HH ARG 80 13.163 -1.614 8.352 652 H SER 81 H SER 81 8.511 -0.417 7.401 653 HA SER 81 HA SER 81 9.415 -2.895 8.395 654 1HB SER 81 1HB SER 81 10.401 -0.488 8.710 655 2HB SER 81 2HB SER 81 9.237 -0.332 10.011 656 HG SER 81 HG SER 81 10.491 -2.730 10.301 657 H LEU 82 H LEU 82 6.653 -0.699 9.024 658 HA LEU 82 HA LEU 82 5.814 -1.877 11.421 659 1HB LEU 82 1HB LEU 82 5.094 0.308 10.767 660 2HB LEU 82 2HB LEU 82 4.368 -0.300 9.294 661 HG LEU 82 HG LEU 82 3.365 -1.355 11.913 662 1HD1 LEU 82 1HD1 LEU 82 3.069 0.756 12.650 663 2HD1 LEU 82 2HD1 LEU 82 3.176 1.464 11.021 664 3HD1 LEU 82 3HD1 LEU 82 1.660 0.705 11.564 665 1HD2 LEU 82 1HD2 LEU 82 2.523 -2.324 9.848 666 2HD2 LEU 82 2HD2 LEU 82 1.235 -1.430 10.689 667 3HD2 LEU 82 3HD2 LEU 82 2.032 -0.715 9.267 668 H LEU 83 H LEU 83 5.262 -2.664 7.968 669 HA LEU 83 HA LEU 83 3.244 -4.576 8.493 670 1HB LEU 83 1HB LEU 83 5.044 -4.083 6.121 671 2HB LEU 83 2HB LEU 83 3.774 -5.290 6.142 672 HG LEU 83 HG LEU 83 3.053 -2.467 6.828 673 1HD1 LEU 83 1HD1 LEU 83 3.060 -3.240 3.939 674 2HD1 LEU 83 2HD1 LEU 83 3.121 -1.631 4.698 675 3HD1 LEU 83 3HD1 LEU 83 4.571 -2.662 4.679 676 1HD2 LEU 83 1HD2 LEU 83 0.940 -3.059 5.803 677 2HD2 LEU 83 2HD2 LEU 83 1.604 -4.621 5.265 678 3HD2 LEU 83 3HD2 LEU 83 1.400 -4.292 7.002 679 H GLY 84 H GLY 84 6.718 -4.972 7.482 680 1HA GLY 84 1HA GLY 84 7.017 -7.639 7.681 681 2HA GLY 84 2HA GLY 84 8.248 -6.491 8.169 682 H LYS 85 H LYS 85 6.917 -5.290 10.432 683 HA LYS 85 HA LYS 85 7.404 -7.378 12.338 684 1HB LYS 85 1HB LYS 85 6.976 -4.414 12.422 685 2HB LYS 85 2HB LYS 85 6.717 -5.338 13.889 686 1HG LYS 85 1HG LYS 85 8.968 -6.116 13.953 687 2HG LYS 85 2HG LYS 85 9.240 -5.767 12.257 688 1HD LYS 85 1HD LYS 85 10.385 -4.031 13.442 689 2HD LYS 85 2HD LYS 85 8.925 -3.279 12.831 690 1HE LYS 85 1HE LYS 85 8.251 -2.768 14.937 691 2HE LYS 85 2HE LYS 85 8.330 -4.454 15.412 692 1HZ LYS 85 1HZ LYS 85 10.124 -3.911 16.624 693 2HZ LYS 85 2HZ LYS 85 10.960 -3.563 15.269 694 H ALA 86 H ALA 86 4.618 -5.555 11.010 695 HA ALA 86 HA ALA 86 2.736 -6.424 12.885 696 1HB ALA 86 1HB ALA 86 2.348 -4.540 11.390 697 2HB ALA 86 2HB ALA 86 2.473 -5.600 9.965 698 3HB ALA 86 3HB ALA 86 1.110 -5.783 11.094 699 H MET 87 H MET 87 4.257 -7.965 10.074 700 HA MET 87 HA MET 87 2.493 -10.248 10.528 701 1HB MET 87 1HB MET 87 4.113 -9.825 7.986 702 2HB MET 87 2HB MET 87 2.629 -10.736 8.186 703 1HG MET 87 1HG MET 87 1.411 -8.552 8.640 704 2HG MET 87 2HG MET 87 2.898 -7.692 8.289 705 1HE MET 87 1HE MET 87 1.944 -6.356 6.820 706 2HE MET 87 2HE MET 87 2.009 -6.662 5.068 707 3HE MET 87 3HE MET 87 0.477 -6.870 5.953 708 H ARG 88 H ARG 88 5.231 -9.290 11.717 709 HA ARG 88 HA ARG 88 7.345 -10.058 11.814 710 1HB ARG 88 1HB ARG 88 5.471 -12.192 12.920 711 2HB ARG 88 2HB ARG 88 7.206 -12.321 13.132 712 1HG ARG 88 1HG ARG 88 7.160 -9.959 14.135 713 2HG ARG 88 2HG ARG 88 5.410 -10.051 14.100 714 1HD ARG 88 1HD ARG 88 6.106 -12.467 15.318 715 2HD ARG 88 2HD ARG 88 7.325 -11.371 15.939 716 HE ARG 88 HE ARG 88 5.671 -10.433 17.276 717 1HH1 ARG 88 2HH2 ARG 88 4.110 -11.752 14.381 718 2HH1 ARG 88 1HH2 ARG 88 2.513 -11.321 14.895 719 1HH2 ARG 88 1HH ARG 88 2.215 -10.211 16.998 720 H LEU 89 H LEU 89 7.847 -10.297 9.462 721 HA LEU 89 HA LEU 89 7.896 -13.125 8.664 722 1HB LEU 89 1HB LEU 89 6.520 -11.194 7.405 723 2HB LEU 89 2HB LEU 89 8.072 -10.981 6.620 724 HG LEU 89 HG LEU 89 8.064 -13.266 5.826 725 1HD1 LEU 89 1HD1 LEU 89 5.626 -14.398 6.268 726 2HD1 LEU 89 2HD1 LEU 89 7.101 -14.758 7.197 727 3HD1 LEU 89 3HD1 LEU 89 5.920 -13.584 7.823 728 1HD2 LEU 89 1HD2 LEU 89 6.855 -11.488 4.550 729 2HD2 LEU 89 2HD2 LEU 89 6.285 -13.145 4.232 730 3HD2 LEU 89 3HD2 LEU 89 5.340 -12.064 5.284 731 H ARG 90 H ARG 90 9.643 -12.226 6.327 732 HA ARG 90 HA ARG 90 11.984 -11.304 7.682 733 1HB ARG 90 1HB ARG 90 13.248 -13.386 6.592 734 2HB ARG 90 2HB ARG 90 12.500 -13.537 8.170 735 1HG ARG 90 1HG ARG 90 11.052 -15.111 7.411 736 2HG ARG 90 2HG ARG 90 10.510 -14.065 6.113 737 1HD ARG 90 1HD ARG 90 12.690 -14.727 4.868 738 2HD ARG 90 2HD ARG 90 12.888 -15.973 6.082 739 HE ARG 90 HE ARG 90 10.251 -16.264 5.166 740 1HH1 ARG 90 2HH2 ARG 90 13.479 -16.384 3.710 741 2HH1 ARG 90 1HH2 ARG 90 13.013 -17.495 2.466 742 1HH2 ARG 90 1HH ARG 90 10.747 -18.271 2.375 743 H ILE 91 H ILE 91 10.449 -12.705 4.728 744 HA ILE 91 HA ILE 91 12.180 -12.171 2.780 745 HB ILE 91 HB ILE 91 10.092 -11.457 1.434 746 1HG1 ILE 91 1HG1 ILE 91 8.383 -12.657 3.499 747 2HG1 ILE 91 2HG1 ILE 91 9.017 -11.088 3.951 748 1HG2 ILE 91 1HG2 ILE 91 10.818 -14.052 2.659 749 2HG2 ILE 91 2HG2 ILE 91 9.195 -13.953 1.936 750 3HG2 ILE 91 3HG2 ILE 91 10.632 -13.591 0.949 751 1HD1 ILE 91 1HD1 ILE 91 7.734 -9.997 2.415 752 2HD1 ILE 91 2HD1 ILE 91 8.097 -11.188 1.142 753 3HD1 ILE 91 3HD1 ILE 91 6.807 -11.515 2.325 754 H VAL 92 H VAL 92 10.410 -9.762 4.726 755 HA VAL 92 HA VAL 92 10.262 -7.500 4.336 756 HB VAL 92 HB VAL 92 13.191 -8.002 4.903 757 1HG1 VAL 92 1HG1 VAL 92 12.986 -5.866 6.205 758 2HG1 VAL 92 2HG1 VAL 92 12.810 -5.672 4.445 759 3HG1 VAL 92 3HG1 VAL 92 11.371 -5.646 5.491 760 1HG2 VAL 92 1HG2 VAL 92 12.690 -8.330 7.162 761 2HG2 VAL 92 2HG2 VAL 92 11.054 -7.647 7.002 762 3HG2 VAL 92 3HG2 VAL 92 11.418 -9.252 6.324 763 HA PRO 93 HA PRO 93 11.998 -7.445 0.108 764 1HB PRO 93 1HB PRO 93 9.667 -7.418 -1.318 765 2HB PRO 93 2HB PRO 93 10.583 -8.879 -1.006 766 1HG PRO 93 1HG PRO 93 8.063 -7.969 0.243 767 2HG PRO 93 2HG PRO 93 8.758 -9.578 0.220 768 1HD PRO 93 1HD PRO 93 8.775 -7.734 2.418 769 2HD PRO 93 2HD PRO 93 9.568 -9.295 2.353 770 H GLU 94 H GLU 94 12.150 -5.709 -1.423 771 HA GLU 94 HA GLU 94 11.713 -3.286 -0.103 772 1HB GLU 94 1HB GLU 94 13.253 -4.169 -2.250 773 2HB GLU 94 2HB GLU 94 12.088 -3.120 -3.032 774 1HG GLU 94 1HG GLU 94 12.677 -1.251 -1.565 775 2HG GLU 94 2HG GLU 94 13.679 -2.285 -0.564 776 HE2 GLU 94 HE GLU 94 15.811 -2.613 -1.345 777 H LEU 95 H LEU 95 9.284 -3.919 0.275 778 HA LEU 95 HA LEU 95 7.531 -3.654 -1.936 779 1HB LEU 95 1HB LEU 95 5.805 -3.475 -0.114 780 2HB LEU 95 2HB LEU 95 6.762 -4.944 -0.161 781 HG LEU 95 HG LEU 95 8.119 -3.164 1.580 782 1HD1 LEU 95 1HD1 LEU 95 6.631 -1.985 2.733 783 2HD1 LEU 95 2HD1 LEU 95 5.421 -2.424 1.503 784 3HD1 LEU 95 3HD1 LEU 95 5.594 -3.412 2.972 785 1HD2 LEU 95 1HD2 LEU 95 6.874 -5.820 1.626 786 2HD2 LEU 95 2HD2 LEU 95 8.412 -5.254 2.321 787 3HD2 LEU 95 3HD2 LEU 95 6.889 -5.003 3.207 788 H THR 96 H THR 96 8.020 -1.742 -3.068 789 HA THR 96 HA THR 96 8.276 0.752 -1.740 790 HB THR 96 HB THR 96 9.227 0.040 -4.018 791 HG1 THR 96 HG1 THR 96 7.397 2.330 -4.001 792 1HG2 THR 96 1HG2 THR 96 7.520 0.747 -5.894 793 2HG2 THR 96 2HG2 THR 96 7.412 -0.906 -5.247 794 3HG2 THR 96 3HG2 THR 96 6.273 0.343 -4.691 795 H PHE 97 H PHE 97 6.832 2.653 -2.132 796 HA PHE 97 HA PHE 97 4.041 1.751 -1.992 797 1HB PHE 97 1HB PHE 97 5.684 3.093 -0.119 798 2HB PHE 97 2HB PHE 97 4.812 4.411 -0.876 799 HD1 PHE 97 HD1 PHE 97 3.653 0.961 -0.074 800 HD2 PHE 97 HD2 PHE 97 3.268 5.114 0.707 801 HE1 PHE 97 HE1 PHE 97 1.675 0.500 1.401 802 HE2 PHE 97 HE2 PHE 97 1.290 4.653 2.181 803 HZ PHE 97 HZ PHE 97 0.517 2.351 2.511 804 H PHE 98 H PHE 98 3.128 2.187 -3.962 805 HA PHE 98 HA PHE 98 3.946 4.626 -5.323 806 1HB PHE 98 1HB PHE 98 2.950 1.925 -5.952 807 2HB PHE 98 2HB PHE 98 1.927 3.120 -6.723 808 HD1 PHE 98 HD1 PHE 98 3.193 4.990 -8.065 809 HD2 PHE 98 HD2 PHE 98 4.883 1.237 -7.027 810 HE1 PHE 98 HE1 PHE 98 4.873 5.235 -9.914 811 HE2 PHE 98 HE2 PHE 98 6.563 1.483 -8.876 812 HZ PHE 98 HZ PHE 98 6.537 3.478 -10.298 813 H TYR 99 H TYR 99 2.767 6.466 -5.135 814 HA TYR 99 HA TYR 99 0.033 6.201 -4.119 815 1HB TYR 99 1HB TYR 99 1.313 8.875 -4.508 816 2HB TYR 99 2HB TYR 99 0.570 8.228 -3.059 817 HD1 TYR 99 HD1 TYR 99 3.682 8.859 -4.797 818 HD2 TYR 99 HD2 TYR 99 1.911 6.690 -1.561 819 HE1 TYR 99 HE1 TYR 99 5.979 8.508 -3.766 820 HE2 TYR 99 HE2 TYR 99 4.214 6.345 -0.541 821 HH TYR 99 HH TYR 99 6.372 6.502 -0.883 822 H ASP 100 H ASP 100 -1.104 5.672 -6.043 823 HA ASP 100 HA ASP 100 -0.755 7.480 -8.259 824 1HB ASP 100 1HB ASP 100 -1.107 4.851 -8.308 825 2HB ASP 100 2HB ASP 100 -2.804 5.248 -8.119 826 HD2 ASP 100 HD ASP 100 -2.436 7.652 -9.979 827 H ASN 101 H ASN 101 -1.734 9.425 -7.324 828 HA ASN 101 HA ASN 101 -4.431 9.170 -6.362 829 1HB ASN 101 1HB ASN 101 -4.133 11.730 -6.042 830 2HB ASN 101 2HB ASN 101 -3.099 10.698 -5.074 831 1HD2 ASN 101 1HD2 ASN 101 -1.213 11.629 -4.871 832 2HD2 ASN 101 2HD2 ASN 101 -0.250 12.333 -6.128 833 H SER 102 H SER 102 -5.613 11.577 -7.192 834 HA SER 102 HA SER 102 -5.968 11.030 -9.991 835 1HB SER 102 1HB SER 102 -7.598 13.223 -9.147 836 2HB SER 102 2HB SER 102 -8.100 11.586 -9.511 837 HG SER 102 HG SER 102 -8.709 12.045 -7.368 838 H LEU 103 H LEU 103 -3.597 12.564 -8.535 839 HA LEU 103 HA LEU 103 -3.822 15.111 -9.930 840 1HB LEU 103 1HB LEU 103 -3.136 14.922 -7.515 841 2HB LEU 103 2HB LEU 103 -1.659 14.154 -8.058 842 HG LEU 103 HG LEU 103 -1.632 16.423 -9.577 843 1HD1 LEU 103 1HD1 LEU 103 -2.589 17.423 -6.902 844 2HD1 LEU 103 2HD1 LEU 103 -2.409 18.300 -8.441 845 3HD1 LEU 103 3HD1 LEU 103 -3.726 17.120 -8.236 846 1HD2 LEU 103 1HD2 LEU 103 -0.365 15.555 -7.037 847 2HD2 LEU 103 2HD2 LEU 103 0.364 16.023 -8.592 848 3HD2 LEU 103 3HD2 LEU 103 -0.206 17.276 -7.463 849 H VAL 104 H VAL 104 -3.122 12.050 -10.818 850 HA VAL 104 HA VAL 104 -1.121 12.991 -12.736 851 HB VAL 104 HB VAL 104 -1.012 10.526 -11.007 852 1HG1 VAL 104 1HG1 VAL 104 -0.455 9.505 -12.988 853 2HG1 VAL 104 2HG1 VAL 104 0.160 11.006 -13.720 854 3HG1 VAL 104 3HG1 VAL 104 1.139 10.139 -12.511 855 1HG2 VAL 104 1HG2 VAL 104 1.469 11.502 -10.950 856 2HG2 VAL 104 2HG2 VAL 104 0.610 13.013 -11.332 857 3HG2 VAL 104 3HG2 VAL 104 0.194 12.099 -9.862 858 H GLU 105 H GLU 105 -4.204 12.227 -12.368 859 HA GLU 105 HA GLU 105 -4.381 11.187 -14.997 860 1HB GLU 105 1HB GLU 105 -4.598 9.358 -12.703 861 2HB GLU 105 2HB GLU 105 -6.043 9.337 -13.695 862 1HG GLU 105 1HG GLU 105 -4.897 8.581 -15.607 863 2HG GLU 105 2HG GLU 105 -3.360 9.237 -15.079 864 HE2 GLU 105 HE GLU 105 -3.519 6.202 -15.591 865 H GLY 106 H GLY 106 -5.918 12.021 -11.860 866 1HA GLY 106 1HA GLY 106 -7.587 13.579 -11.578 867 2HA GLY 106 2HA GLY 106 -7.945 13.543 -13.292 868 H MET 107 H MET 107 -8.038 10.551 -13.441 869 HA MET 107 HA MET 107 -10.761 10.311 -12.705 870 1HB MET 107 1HB MET 107 -10.657 8.682 -14.324 871 2HB MET 107 2HB MET 107 -8.971 9.112 -14.542 872 1HG MET 107 1HG MET 107 -8.639 7.505 -12.411 873 2HG MET 107 2HG MET 107 -10.160 6.831 -12.960 874 1HE MET 107 1HE MET 107 -6.041 6.466 -14.695 875 2HE MET 107 2HE MET 107 -6.716 8.076 -15.042 876 3HE MET 107 3HE MET 107 -6.622 7.494 -13.363 877 H ARG 108 H ARG 108 -8.039 10.203 -10.827 878 HA ARG 108 HA ARG 108 -8.966 7.932 -9.282 879 1HB ARG 108 1HB ARG 108 -6.368 8.969 -9.927 880 2HB ARG 108 2HB ARG 108 -6.572 9.191 -8.201 881 1HG ARG 108 1HG ARG 108 -5.856 7.010 -8.097 882 2HG ARG 108 2HG ARG 108 -7.539 6.651 -8.425 883 1HD ARG 108 1HD ARG 108 -7.056 6.530 -10.869 884 2HD ARG 108 2HD ARG 108 -5.378 6.941 -10.570 885 HE ARG 108 HE ARG 108 -4.984 4.751 -9.808 886 1HH1 ARG 108 2HH2 ARG 108 -8.477 5.300 -10.041 887 2HH1 ARG 108 1HH2 ARG 108 -8.880 3.637 -9.780 888 1HH2 ARG 108 1HH ARG 108 -7.126 2.041 -9.443 Start of MODEL 4 1 H MET 1 H MET 1 -11.232 -12.933 2.700 2 HA MET 1 HA MET 1 -9.577 -11.629 0.708 3 1HB MET 1 1HB MET 1 -9.926 -14.572 1.510 4 2HB MET 1 2HB MET 1 -8.793 -14.018 0.292 5 1HG MET 1 1HG MET 1 -7.265 -13.638 1.926 6 2HG MET 1 2HG MET 1 -8.305 -12.391 2.584 7 1HE MET 1 1HE MET 1 -9.314 -12.303 4.420 8 2HE MET 1 2HE MET 1 -9.770 -13.562 5.594 9 3HE MET 1 3HE MET 1 -8.090 -12.977 5.523 10 H ALA 2 H ALA 2 -9.769 -12.190 -1.586 11 HA ALA 2 HA ALA 2 -12.516 -12.988 -2.249 12 1HB ALA 2 1HB ALA 2 -11.213 -10.670 -2.860 13 2HB ALA 2 2HB ALA 2 -10.801 -11.660 -4.280 14 3HB ALA 2 3HB ALA 2 -12.506 -11.375 -3.858 15 H LYS 3 H LYS 3 -9.110 -13.787 -2.465 16 HA LYS 3 HA LYS 3 -9.815 -15.951 -4.323 17 1HB LYS 3 1HB LYS 3 -8.229 -14.024 -5.110 18 2HB LYS 3 2HB LYS 3 -7.032 -14.825 -4.113 19 1HG LYS 3 1HG LYS 3 -6.848 -15.718 -6.370 20 2HG LYS 3 2HG LYS 3 -7.496 -16.980 -5.341 21 1HD LYS 3 1HD LYS 3 -9.646 -15.321 -6.463 22 2HD LYS 3 2HD LYS 3 -8.641 -15.994 -7.731 23 1HE LYS 3 1HE LYS 3 -9.553 -18.052 -7.442 24 2HE LYS 3 2HE LYS 3 -9.126 -18.052 -5.743 25 1HZ LYS 3 1HZ LYS 3 -11.312 -16.315 -6.113 26 2HZ LYS 3 2HZ LYS 3 -11.675 -17.728 -6.835 27 H GLU 4 H GLU 4 -10.244 -17.601 -2.891 28 HA GLU 4 HA GLU 4 -8.171 -18.064 -0.894 29 1HB GLU 4 1HB GLU 4 -10.075 -19.593 0.096 30 2HB GLU 4 2HB GLU 4 -10.140 -17.859 0.343 31 1HG GLU 4 1HG GLU 4 -11.887 -17.555 -1.187 32 2HG GLU 4 2HG GLU 4 -11.442 -18.953 -2.145 33 HE2 GLU 4 HE GLU 4 -14.429 -19.168 -0.119 34 H PHE 5 H PHE 5 -6.739 -19.180 -2.355 35 HA PHE 5 HA PHE 5 -7.654 -21.895 -2.904 36 1HB PHE 5 1HB PHE 5 -7.646 -20.050 -4.886 37 2HB PHE 5 2HB PHE 5 -5.916 -20.330 -4.861 38 HD1 PHE 5 HD1 PHE 5 -5.008 -22.106 -6.063 39 HD2 PHE 5 HD2 PHE 5 -9.156 -22.133 -5.173 40 HE1 PHE 5 HE1 PHE 5 -5.312 -24.116 -7.536 41 HE2 PHE 5 HE2 PHE 5 -9.460 -24.143 -6.646 42 HZ PHE 5 HZ PHE 5 -7.532 -25.109 -7.810 43 H GLY 6 H GLY 6 -5.471 -23.054 -3.967 44 1HA GLY 6 1HA GLY 6 -3.492 -22.745 -1.836 45 2HA GLY 6 2HA GLY 6 -3.669 -24.096 -2.938 46 H ARG 7 H ARG 7 -4.014 -21.204 -4.706 47 HA ARG 7 HA ARG 7 -1.420 -21.605 -5.824 48 1HB ARG 7 1HB ARG 7 -3.959 -20.520 -6.692 49 2HB ARG 7 2HB ARG 7 -2.740 -19.283 -6.933 50 1HG ARG 7 1HG ARG 7 -1.365 -21.424 -7.904 51 2HG ARG 7 2HG ARG 7 -2.993 -21.981 -8.226 52 1HD ARG 7 1HD ARG 7 -2.905 -19.227 -9.024 53 2HD ARG 7 2HD ARG 7 -1.452 -19.976 -9.653 54 HE ARG 7 HE ARG 7 -2.760 -21.311 -11.084 55 1HH1 ARG 7 2HH2 ARG 7 -4.850 -19.741 -8.692 56 2HH1 ARG 7 1HH2 ARG 7 -6.318 -20.204 -9.487 57 1HH2 ARG 7 1HH ARG 7 -6.204 -21.486 -11.509 58 HA PRO 8 HA PRO 8 0.444 -18.000 -4.190 59 1HB PRO 8 1HB PRO 8 1.529 -16.619 -6.284 60 2HB PRO 8 2HB PRO 8 2.258 -18.060 -5.605 61 1HG PRO 8 1HG PRO 8 0.771 -17.755 -8.141 62 2HG PRO 8 2HG PRO 8 1.853 -19.043 -7.652 63 1HD PRO 8 1HD PRO 8 -1.013 -19.139 -7.711 64 2HD PRO 8 2HD PRO 8 0.066 -20.384 -7.113 65 H GLN 9 H GLN 9 -2.343 -17.691 -5.795 66 HA GLN 9 HA GLN 9 -2.388 -14.826 -5.735 67 1HB GLN 9 1HB GLN 9 -3.698 -16.747 -7.249 68 2HB GLN 9 2HB GLN 9 -4.952 -16.259 -6.127 69 1HG GLN 9 1HG GLN 9 -5.305 -14.549 -7.608 70 2HG GLN 9 2HG GLN 9 -3.936 -13.800 -6.810 71 1HE2 GLN 9 1HE2 GLN 9 -4.425 -13.020 -9.281 72 2HE2 GLN 9 2HE2 GLN 9 -3.285 -13.644 -10.426 73 H ARG 10 H ARG 10 -3.524 -17.612 -3.818 74 HA ARG 10 HA ARG 10 -5.377 -16.274 -2.285 75 1HB ARG 10 1HB ARG 10 -4.844 -18.818 -2.433 76 2HB ARG 10 2HB ARG 10 -3.575 -18.516 -1.261 77 1HG ARG 10 1HG ARG 10 -6.307 -17.432 -0.616 78 2HG ARG 10 2HG ARG 10 -6.105 -19.171 -0.536 79 1HD ARG 10 1HD ARG 10 -3.809 -18.118 0.760 80 2HD ARG 10 2HD ARG 10 -5.134 -17.113 1.312 81 HE ARG 10 HE ARG 10 -5.931 -18.925 2.546 82 1HH1 ARG 10 2HH2 ARG 10 -3.857 -20.172 -0.042 83 2HH1 ARG 10 1HH2 ARG 10 -3.951 -21.814 0.506 84 1HH2 ARG 10 1HH ARG 10 -5.249 -22.330 2.452 85 H VAL 11 H VAL 11 -1.858 -16.972 -1.674 86 HA VAL 11 HA VAL 11 -1.743 -15.639 0.780 87 HB VAL 11 HB VAL 11 -0.115 -17.245 -0.678 88 1HG1 VAL 11 1HG1 VAL 11 1.315 -14.573 -0.662 89 2HG1 VAL 11 2HG1 VAL 11 1.868 -16.113 -1.361 90 3HG1 VAL 11 3HG1 VAL 11 0.505 -15.239 -2.102 91 1HG2 VAL 11 1HG2 VAL 11 0.264 -15.562 1.768 92 2HG2 VAL 11 2HG2 VAL 11 0.221 -17.333 1.590 93 3HG2 VAL 11 3HG2 VAL 11 1.674 -16.425 1.108 94 H ALA 12 H ALA 12 -1.355 -14.556 -2.621 95 HA ALA 12 HA ALA 12 -0.321 -12.030 -2.072 96 1HB ALA 12 1HB ALA 12 -0.736 -13.445 -4.298 97 2HB ALA 12 2HB ALA 12 -2.219 -12.463 -4.357 98 3HB ALA 12 3HB ALA 12 -0.626 -11.669 -4.332 99 H GLN 13 H GLN 13 -3.666 -13.331 -2.083 100 HA GLN 13 HA GLN 13 -4.860 -10.798 -1.866 101 1HB GLN 13 1HB GLN 13 -5.826 -13.634 -1.358 102 2HB GLN 13 2HB GLN 13 -6.865 -12.252 -1.069 103 1HG GLN 13 1HG GLN 13 -5.657 -13.173 -3.699 104 2HG GLN 13 2HG GLN 13 -7.349 -12.937 -3.309 105 1HE2 GLN 13 1HE2 GLN 13 -4.322 -11.427 -4.116 106 2HE2 GLN 13 2HE2 GLN 13 -4.918 -9.846 -4.495 107 H GLU 14 H GLU 14 -4.667 -13.501 0.570 108 HA GLU 14 HA GLU 14 -5.542 -12.256 2.724 109 1HB GLU 14 1HB GLU 14 -4.558 -14.624 2.484 110 2HB GLU 14 2HB GLU 14 -2.992 -13.915 2.814 111 1HG GLU 14 1HG GLU 14 -5.030 -13.030 4.753 112 2HG GLU 14 2HG GLU 14 -4.865 -14.774 4.728 113 HE2 GLU 14 HE GLU 14 -1.904 -14.656 6.462 114 H MET 15 H MET 15 -2.271 -11.841 1.277 115 HA MET 15 HA MET 15 -1.378 -10.173 3.371 116 1HB MET 15 1HB MET 15 -0.209 -11.574 1.282 117 2HB MET 15 2HB MET 15 -0.141 -9.943 0.646 118 1HG MET 15 1HG MET 15 1.765 -9.706 1.878 119 2HG MET 15 2HG MET 15 0.711 -9.567 3.272 120 1HE MET 15 1HE MET 15 3.969 -11.318 3.523 121 2HE MET 15 2HE MET 15 2.922 -10.035 4.175 122 3HE MET 15 3HE MET 15 3.061 -11.591 5.029 123 H GLN 16 H GLN 16 -2.828 -9.666 0.116 124 HA GLN 16 HA GLN 16 -2.364 -6.937 0.002 125 1HB GLN 16 1HB GLN 16 -3.130 -8.546 -1.860 126 2HB GLN 16 2HB GLN 16 -4.753 -8.375 -1.221 127 1HG GLN 16 1HG GLN 16 -3.279 -5.810 -1.679 128 2HG GLN 16 2HG GLN 16 -3.678 -6.717 -3.125 129 1HE2 GLN 16 1HE2 GLN 16 -5.070 -4.995 -3.690 130 2HE2 GLN 16 2HE2 GLN 16 -6.660 -4.848 -3.018 131 H LYS 17 H LYS 17 -4.889 -8.893 1.595 132 HA LYS 17 HA LYS 17 -6.570 -6.647 2.126 133 1HB LYS 17 1HB LYS 17 -7.303 -9.062 1.854 134 2HB LYS 17 2HB LYS 17 -6.620 -9.375 3.438 135 1HG LYS 17 1HG LYS 17 -8.198 -7.016 3.733 136 2HG LYS 17 2HG LYS 17 -9.157 -8.108 2.756 137 1HD LYS 17 1HD LYS 17 -9.712 -8.657 5.016 138 2HD LYS 17 2HD LYS 17 -8.637 -9.938 4.491 139 1HE LYS 17 1HE LYS 17 -7.635 -9.410 6.524 140 2HE LYS 17 2HE LYS 17 -6.740 -8.326 5.476 141 1HZ LYS 17 1HZ LYS 17 -7.537 -7.028 7.284 142 2HZ LYS 17 2HZ LYS 17 -8.499 -6.614 6.039 143 H GLU 18 H GLU 18 -4.015 -8.494 3.850 144 HA GLU 18 HA GLU 18 -4.432 -7.210 6.295 145 1HB GLU 18 1HB GLU 18 -3.135 -9.400 5.753 146 2HB GLU 18 2HB GLU 18 -1.779 -8.360 5.364 147 1HG GLU 18 1HG GLU 18 -1.281 -8.480 7.587 148 2HG GLU 18 2HG GLU 18 -2.567 -7.307 7.797 149 HE2 GLU 18 HE GLU 18 -3.930 -10.998 7.873 150 H ILE 19 H ILE 19 -2.281 -6.563 3.474 151 HA ILE 19 HA ILE 19 -0.995 -4.366 4.760 152 HB ILE 19 HB ILE 19 0.213 -4.128 2.784 153 1HG1 ILE 19 1HG1 ILE 19 -2.016 -5.597 1.350 154 2HG1 ILE 19 2HG1 ILE 19 -1.627 -3.895 1.212 155 1HG2 ILE 19 1HG2 ILE 19 0.094 -6.884 2.132 156 2HG2 ILE 19 2HG2 ILE 19 1.261 -6.039 3.178 157 3HG2 ILE 19 3HG2 ILE 19 -0.219 -6.737 3.878 158 1HD1 ILE 19 1HD1 ILE 19 -0.017 -6.278 0.244 159 2HD1 ILE 19 2HD1 ILE 19 -0.576 -4.862 -0.680 160 3HD1 ILE 19 3HD1 ILE 19 0.755 -4.694 0.490 161 H ALA 20 H ALA 20 -3.753 -4.837 2.512 162 HA ALA 20 HA ALA 20 -4.129 -2.176 1.821 163 1HB ALA 20 1HB ALA 20 -5.279 -3.863 0.605 164 2HB ALA 20 2HB ALA 20 -5.975 -4.570 2.084 165 3HB ALA 20 3HB ALA 20 -6.549 -2.991 1.497 166 H LEU 21 H LEU 21 -5.063 -4.052 4.728 167 HA LEU 21 HA LEU 21 -6.739 -1.999 5.759 168 1HB LEU 21 1HB LEU 21 -7.141 -4.264 6.367 169 2HB LEU 21 2HB LEU 21 -5.497 -4.481 6.935 170 HG LEU 21 HG LEU 21 -6.613 -2.328 8.427 171 1HD1 LEU 21 1HD1 LEU 21 -8.736 -3.754 7.515 172 2HD1 LEU 21 2HD1 LEU 21 -8.365 -4.630 9.020 173 3HD1 LEU 21 3HD1 LEU 21 -8.696 -2.882 9.066 174 1HD2 LEU 21 1HD2 LEU 21 -6.075 -3.676 10.311 175 2HD2 LEU 21 2HD2 LEU 21 -6.141 -5.171 9.348 176 3HD2 LEU 21 3HD2 LEU 21 -4.838 -3.988 9.072 177 H ILE 22 H ILE 22 -3.464 -3.232 6.759 178 HA ILE 22 HA ILE 22 -2.978 -1.155 8.541 179 HB ILE 22 HB ILE 22 -1.215 -3.069 7.036 180 1HG1 ILE 22 1HG1 ILE 22 -1.558 -2.952 10.013 181 2HG1 ILE 22 2HG1 ILE 22 -2.852 -3.622 9.040 182 1HG2 ILE 22 1HG2 ILE 22 -0.305 -1.075 9.128 183 2HG2 ILE 22 2HG2 ILE 22 0.682 -2.342 8.362 184 3HG2 ILE 22 3HG2 ILE 22 0.059 -0.989 7.388 185 1HD1 ILE 22 1HD1 ILE 22 -1.509 -5.386 8.215 186 2HD1 ILE 22 2HD1 ILE 22 0.006 -4.526 8.579 187 3HD1 ILE 22 3HD1 ILE 22 -0.960 -5.222 9.901 188 H LEU 23 H LEU 23 -3.054 -1.226 5.061 189 HA LEU 23 HA LEU 23 -1.356 1.111 4.834 190 1HB LEU 23 1HB LEU 23 -1.114 -0.624 3.190 191 2HB LEU 23 2HB LEU 23 -2.827 -0.589 2.819 192 HG LEU 23 HG LEU 23 -1.192 1.898 2.426 193 1HD1 LEU 23 1HD1 LEU 23 -0.136 1.222 0.544 194 2HD1 LEU 23 2HD1 LEU 23 -0.227 -0.366 1.344 195 3HD1 LEU 23 3HD1 LEU 23 -1.420 0.074 0.098 196 1HD2 LEU 23 1HD2 LEU 23 -3.243 1.062 0.473 197 2HD2 LEU 23 2HD2 LEU 23 -3.842 1.387 2.118 198 3HD2 LEU 23 3HD2 LEU 23 -2.945 2.643 1.233 199 H GLN 24 H GLN 24 -4.652 0.318 5.467 200 HA GLN 24 HA GLN 24 -5.414 3.001 4.608 201 1HB GLN 24 1HB GLN 24 -6.847 0.369 4.570 202 2HB GLN 24 2HB GLN 24 -7.816 1.773 4.972 203 1HG GLN 24 1HG GLN 24 -7.533 2.756 2.873 204 2HG GLN 24 2HG GLN 24 -5.961 2.027 2.618 205 1HE2 GLN 24 1HE2 GLN 24 -9.419 1.319 2.865 206 2HE2 GLN 24 2HE2 GLN 24 -9.457 -0.028 1.778 207 H ARG 25 H ARG 25 -4.522 1.162 7.267 208 HA ARG 25 HA ARG 25 -6.275 2.718 8.994 209 1HB ARG 25 1HB ARG 25 -6.070 -0.018 8.947 210 2HB ARG 25 2HB ARG 25 -4.817 0.348 10.114 211 1HG ARG 25 1HG ARG 25 -6.696 1.943 11.160 212 2HG ARG 25 2HG ARG 25 -7.786 0.884 10.289 213 1HD ARG 25 1HD ARG 25 -5.829 -0.768 11.634 214 2HD ARG 25 2HD ARG 25 -6.449 0.389 12.797 215 HE ARG 25 HE ARG 25 -7.883 -1.858 11.743 216 1HH1 ARG 25 2HH2 ARG 25 -8.409 1.547 12.570 217 2HH1 ARG 25 1HH2 ARG 25 -10.098 1.337 12.892 218 1HH2 ARG 25 1HH ARG 25 -11.077 -0.837 12.650 219 H GLU 26 H GLU 26 -2.958 1.469 8.376 220 HA GLU 26 HA GLU 26 -1.956 3.117 10.529 221 1HB GLU 26 1HB GLU 26 -0.254 1.621 10.665 222 2HB GLU 26 2HB GLU 26 -1.234 0.606 9.626 223 1HG GLU 26 1HG GLU 26 0.643 0.653 8.294 224 2HG GLU 26 2HG GLU 26 -0.076 2.140 7.709 225 HE2 GLU 26 HE GLU 26 3.418 2.158 8.926 226 H ILE 27 H ILE 27 -2.967 3.744 7.509 227 HA ILE 27 HA ILE 27 -0.634 5.376 6.804 228 HB ILE 27 HB ILE 27 -1.941 3.586 5.277 229 1HG1 ILE 27 1HG1 ILE 27 -0.154 5.857 4.839 230 2HG1 ILE 27 2HG1 ILE 27 -0.073 4.220 4.218 231 1HG2 ILE 27 1HG2 ILE 27 -4.062 4.739 5.289 232 2HG2 ILE 27 2HG2 ILE 27 -3.291 6.244 4.735 233 3HG2 ILE 27 3HG2 ILE 27 -3.351 4.826 3.661 234 1HD1 ILE 27 1HD1 ILE 27 -1.773 4.764 2.492 235 2HD1 ILE 27 2HD1 ILE 27 -1.896 6.419 3.136 236 3HD1 ILE 27 3HD1 ILE 27 -0.381 5.867 2.385 237 H LYS 28 H LYS 28 -1.579 7.442 5.430 238 HA LYS 28 HA LYS 28 -2.993 8.918 7.455 239 1HB LYS 28 1HB LYS 28 -1.406 9.539 5.011 240 2HB LYS 28 2HB LYS 28 -2.635 10.700 5.470 241 1HG LYS 28 1HG LYS 28 -0.646 11.385 6.623 242 2HG LYS 28 2HG LYS 28 -1.665 10.649 7.843 243 1HD LYS 28 1HD LYS 28 0.235 8.823 6.398 244 2HD LYS 28 2HD LYS 28 0.947 9.978 7.507 245 1HE LYS 28 1HE LYS 28 -1.371 8.803 8.787 246 2HE LYS 28 2HE LYS 28 -0.387 7.507 8.135 247 1HZ LYS 28 1HZ LYS 28 1.294 7.981 9.577 248 2HZ LYS 28 2HZ LYS 28 1.092 9.596 9.513 249 H ASP 29 H ASP 29 -4.964 7.496 7.262 250 HA ASP 29 HA ASP 29 -6.461 7.997 4.848 251 1HB ASP 29 1HB ASP 29 -7.042 5.848 5.343 252 2HB ASP 29 2HB ASP 29 -6.434 5.980 6.981 253 HD2 ASP 29 HD ASP 29 -10.331 6.316 6.290 254 HA PRO 30 HA PRO 30 -9.090 9.882 8.361 255 1HB PRO 30 1HB PRO 30 -8.119 9.952 10.914 256 2HB PRO 30 2HB PRO 30 -9.183 8.690 10.328 257 1HG PRO 30 1HG PRO 30 -6.273 8.574 10.836 258 2HG PRO 30 2HG PRO 30 -7.412 7.252 10.668 259 1HD PRO 30 1HD PRO 30 -5.526 8.153 8.703 260 2HD PRO 30 2HD PRO 30 -6.742 6.910 8.495 261 H ARG 31 H ARG 31 -5.704 10.416 8.301 262 HA ARG 31 HA ARG 31 -5.934 13.065 9.261 263 1HB ARG 31 1HB ARG 31 -3.822 11.899 9.570 264 2HB ARG 31 2HB ARG 31 -3.704 11.516 7.864 265 1HG ARG 31 1HG ARG 31 -3.817 14.195 7.614 266 2HG ARG 31 2HG ARG 31 -3.215 14.145 9.260 267 1HD ARG 31 1HD ARG 31 -1.388 12.530 8.417 268 2HD ARG 31 2HD ARG 31 -1.917 12.908 6.790 269 HE ARG 31 HE ARG 31 -1.542 15.411 7.792 270 1HH1 ARG 31 2HH2 ARG 31 0.517 12.533 7.956 271 2HH1 ARG 31 1HH2 ARG 31 1.991 13.438 8.024 272 1HH2 ARG 31 1HH ARG 31 1.900 15.834 7.982 273 H LEU 32 H LEU 32 -5.659 11.430 6.057 274 HA LEU 32 HA LEU 32 -5.711 13.984 4.693 275 1HB LEU 32 1HB LEU 32 -5.308 11.126 3.897 276 2HB LEU 32 2HB LEU 32 -5.764 12.307 2.685 277 HG LEU 32 HG LEU 32 -3.751 13.419 2.786 278 1HD1 LEU 32 1HD1 LEU 32 -3.566 12.451 5.632 279 2HD1 LEU 32 2HD1 LEU 32 -2.144 13.091 4.775 280 3HD1 LEU 32 3HD1 LEU 32 -3.580 14.117 5.002 281 1HD2 LEU 32 1HD2 LEU 32 -3.607 10.569 2.784 282 2HD2 LEU 32 2HD2 LEU 32 -2.565 11.746 1.949 283 3HD2 LEU 32 3HD2 LEU 32 -2.159 11.206 3.597 284 H GLY 33 H GLY 33 -7.977 12.535 6.408 285 1HA GLY 33 1HA GLY 33 -10.205 12.111 6.201 286 2HA GLY 33 2HA GLY 33 -10.175 13.715 5.499 287 H MET 34 H MET 34 -9.158 10.400 4.381 288 HA MET 34 HA MET 34 -11.106 10.581 2.278 289 1HB MET 34 1HB MET 34 -8.090 10.655 1.865 290 2HB MET 34 2HB MET 34 -9.094 9.880 0.656 291 1HG MET 34 1HG MET 34 -10.396 11.958 0.342 292 2HG MET 34 2HG MET 34 -9.525 12.740 1.646 293 1HE MET 34 1HE MET 34 -7.559 14.800 -0.147 294 2HE MET 34 2HE MET 34 -8.168 14.169 1.401 295 3HE MET 34 3HE MET 34 -6.517 13.772 0.866 296 H MET 35 H MET 35 -10.697 8.445 0.762 297 HA MET 35 HA MET 35 -10.126 6.294 2.651 298 1HB MET 35 1HB MET 35 -12.590 6.956 1.411 299 2HB MET 35 2HB MET 35 -11.985 5.625 0.445 300 1HG MET 35 1HG MET 35 -11.725 5.234 3.394 301 2HG MET 35 2HG MET 35 -13.375 5.327 2.813 302 1HE MET 35 1HE MET 35 -13.653 1.665 2.599 303 2HE MET 35 2HE MET 35 -12.842 2.450 3.977 304 3HE MET 35 3HE MET 35 -14.225 3.247 3.185 305 H THR 36 H THR 36 -7.929 6.158 1.835 306 HA THR 36 HA THR 36 -7.229 6.000 -0.835 307 HB THR 36 HB THR 36 -5.147 5.048 0.061 308 HG1 THR 36 HG1 THR 36 -6.916 4.592 2.362 309 1HG2 THR 36 1HG2 THR 36 -6.063 7.432 0.957 310 2HG2 THR 36 2HG2 THR 36 -6.111 6.543 2.499 311 3HG2 THR 36 3HG2 THR 36 -4.577 6.705 1.612 312 H THR 37 H THR 37 -6.561 4.163 -2.164 313 HA THR 37 HA THR 37 -8.026 1.704 -1.515 314 HB THR 37 HB THR 37 -8.259 3.489 -3.971 315 HG1 THR 37 HG1 THR 37 -10.512 3.007 -3.387 316 1HG2 THR 37 1HG2 THR 37 -9.093 0.551 -3.728 317 2HG2 THR 37 2HG2 THR 37 -9.478 1.638 -5.083 318 3HG2 THR 37 3HG2 THR 37 -7.793 1.146 -4.787 319 H VAL 38 H VAL 38 -7.301 -0.174 -2.859 320 HA VAL 38 HA VAL 38 -4.477 0.175 -3.589 321 HB VAL 38 HB VAL 38 -5.773 -2.146 -2.147 322 1HG1 VAL 38 1HG1 VAL 38 -3.613 -3.177 -2.073 323 2HG1 VAL 38 2HG1 VAL 38 -3.940 -2.748 -3.769 324 3HG1 VAL 38 3HG1 VAL 38 -2.838 -1.746 -2.794 325 1HG2 VAL 38 1HG2 VAL 38 -5.335 -1.052 -0.256 326 2HG2 VAL 38 2HG2 VAL 38 -3.607 -1.038 -0.681 327 3HG2 VAL 38 3HG2 VAL 38 -4.656 0.313 -1.173 328 H SER 39 H SER 39 -5.283 0.552 -5.789 329 HA SER 39 HA SER 39 -6.652 -1.681 -6.975 330 1HB SER 39 1HB SER 39 -6.534 1.113 -7.465 331 2HB SER 39 2HB SER 39 -5.777 0.371 -8.859 332 HG SER 39 HG SER 39 -7.747 -1.102 -8.866 333 H GLY 40 H GLY 40 -3.801 -1.844 -5.922 334 1HA GLY 40 1HA GLY 40 -2.694 -3.337 -8.067 335 2HA GLY 40 2HA GLY 40 -1.896 -1.782 -7.933 336 H VAL 41 H VAL 41 -1.299 -4.822 -7.185 337 HA VAL 41 HA VAL 41 0.212 -4.105 -4.830 338 HB VAL 41 HB VAL 41 -1.849 -4.783 -3.818 339 1HG1 VAL 41 1HG1 VAL 41 -3.204 -6.083 -5.054 340 2HG1 VAL 41 2HG1 VAL 41 -1.848 -6.800 -5.958 341 3HG1 VAL 41 3HG1 VAL 41 -2.296 -7.448 -4.360 342 1HG2 VAL 41 1HG2 VAL 41 -1.072 -6.924 -2.637 343 2HG2 VAL 41 2HG2 VAL 41 0.368 -6.835 -3.678 344 3HG2 VAL 41 3HG2 VAL 41 0.005 -5.508 -2.550 345 H GLU 42 H GLU 42 2.188 -5.115 -4.852 346 HA GLU 42 HA GLU 42 2.412 -7.490 -6.495 347 1HB GLU 42 1HB GLU 42 4.400 -5.199 -6.750 348 2HB GLU 42 2HB GLU 42 4.320 -6.652 -7.728 349 1HG GLU 42 1HG GLU 42 2.011 -5.918 -8.511 350 2HG GLU 42 2HG GLU 42 2.243 -4.413 -7.642 351 HE2 GLU 42 HE GLU 42 3.514 -3.333 -10.703 352 H MET 43 H MET 43 3.605 -9.055 -5.470 353 HA MET 43 HA MET 43 5.462 -8.125 -3.429 354 1HB MET 43 1HB MET 43 4.036 -10.715 -2.925 355 2HB MET 43 2HB MET 43 4.475 -9.459 -1.784 356 1HG MET 43 1HG MET 43 2.610 -8.018 -2.719 357 2HG MET 43 2HG MET 43 2.140 -9.352 -3.755 358 1HE MET 43 1HE MET 43 0.852 -8.193 0.087 359 2HE MET 43 2HE MET 43 1.015 -7.522 -1.553 360 3HE MET 43 3HE MET 43 -0.356 -8.584 -1.159 361 H SER 44 H SER 44 7.444 -8.688 -4.246 362 HA SER 44 HA SER 44 7.604 -11.322 -5.486 363 1HB SER 44 1HB SER 44 8.454 -8.790 -6.419 364 2HB SER 44 2HB SER 44 9.929 -9.598 -5.931 365 HG SER 44 HG SER 44 9.474 -11.329 -7.343 366 H ARG 45 H ARG 45 8.342 -12.794 -3.988 367 HA ARG 45 HA ARG 45 10.244 -11.823 -2.037 368 1HB ARG 45 1HB ARG 45 8.422 -14.252 -2.197 369 2HB ARG 45 2HB ARG 45 9.768 -14.244 -1.074 370 1HG ARG 45 1HG ARG 45 8.392 -13.159 0.374 371 2HG ARG 45 2HG ARG 45 8.606 -11.742 -0.634 372 1HD ARG 45 1HD ARG 45 6.181 -12.320 -0.221 373 2HD ARG 45 2HD ARG 45 6.597 -12.256 -1.923 374 HE ARG 45 HE ARG 45 6.946 -14.938 -0.881 375 1HH1 ARG 45 2HH2 ARG 45 4.465 -12.660 -1.980 376 2HH1 ARG 45 1HH2 ARG 45 3.347 -13.902 -2.430 377 1HH2 ARG 45 1HH ARG 45 3.959 -16.200 -2.125 378 H ASP 46 H ASP 46 10.191 -13.281 -5.075 379 HA ASP 46 HA ASP 46 11.838 -15.422 -4.918 380 1HB ASP 46 1HB ASP 46 12.130 -13.306 -7.083 381 2HB ASP 46 2HB ASP 46 12.328 -15.040 -7.247 382 HD2 ASP 46 HD ASP 46 10.074 -16.193 -6.715 383 H LEU 47 H LEU 47 12.483 -12.053 -4.252 384 HA LEU 47 HA LEU 47 15.284 -12.683 -3.806 385 1HB LEU 47 1HB LEU 47 14.271 -10.877 -5.899 386 2HB LEU 47 2HB LEU 47 15.508 -10.184 -4.868 387 HG LEU 47 HG LEU 47 16.521 -12.701 -5.512 388 1HD1 LEU 47 1HD1 LEU 47 14.531 -12.257 -7.378 389 2HD1 LEU 47 2HD1 LEU 47 16.003 -11.700 -8.207 390 3HD1 LEU 47 3HD1 LEU 47 15.920 -13.355 -7.557 391 1HD2 LEU 47 1HD2 LEU 47 17.210 -10.228 -7.081 392 2HD2 LEU 47 2HD2 LEU 47 17.578 -10.350 -5.344 393 3HD2 LEU 47 3HD2 LEU 47 18.274 -11.524 -6.485 394 H ALA 48 H ALA 48 13.174 -9.726 -3.874 395 HA ALA 48 HA ALA 48 12.427 -9.505 -1.337 396 1HB ALA 48 1HB ALA 48 14.446 -9.788 -0.240 397 2HB ALA 48 2HB ALA 48 15.389 -9.044 -1.554 398 3HB ALA 48 3HB ALA 48 14.449 -8.020 -0.442 399 H TYR 49 H TYR 49 11.203 -8.559 -3.378 400 HA TYR 49 HA TYR 49 11.389 -5.701 -3.092 401 1HB TYR 49 1HB TYR 49 11.707 -5.388 -5.554 402 2HB TYR 49 2HB TYR 49 13.041 -6.333 -4.922 403 HD1 TYR 49 HD1 TYR 49 10.007 -6.412 -6.998 404 HD2 TYR 49 HD2 TYR 49 13.285 -8.704 -5.477 405 HE1 TYR 49 HE1 TYR 49 9.521 -8.245 -8.692 406 HE2 TYR 49 HE2 TYR 49 12.789 -10.527 -7.177 407 HH TYR 49 HH TYR 49 11.313 -10.214 -9.775 408 H ALA 50 H ALA 50 9.362 -4.827 -3.171 409 HA ALA 50 HA ALA 50 7.317 -6.307 -4.646 410 1HB ALA 50 1HB ALA 50 5.814 -5.725 -2.579 411 2HB ALA 50 2HB ALA 50 6.881 -7.149 -2.505 412 3HB ALA 50 3HB ALA 50 7.360 -5.634 -1.701 413 H LYS 51 H LYS 51 5.305 -4.909 -4.937 414 HA LYS 51 HA LYS 51 5.872 -2.066 -4.705 415 1HB LYS 51 1HB LYS 51 4.779 -2.693 -7.335 416 2HB LYS 51 2HB LYS 51 6.098 -1.629 -6.887 417 1HG LYS 51 1HG LYS 51 7.570 -3.685 -6.591 418 2HG LYS 51 2HG LYS 51 6.255 -4.663 -7.209 419 1HD LYS 51 1HD LYS 51 6.894 -4.195 -9.331 420 2HD LYS 51 2HD LYS 51 6.594 -2.491 -9.052 421 1HE LYS 51 1HE LYS 51 8.839 -2.036 -8.507 422 2HE LYS 51 2HE LYS 51 9.162 -3.678 -7.991 423 1HZ LYS 51 1HZ LYS 51 9.075 -2.622 -10.729 424 2HZ LYS 51 2HZ LYS 51 10.160 -3.636 -10.061 425 H VAL 52 H VAL 52 4.212 -1.531 -3.363 426 HA VAL 52 HA VAL 52 1.593 -2.689 -3.976 427 HB VAL 52 HB VAL 52 2.332 -3.100 -1.745 428 1HG1 VAL 52 1HG1 VAL 52 2.704 -1.046 -0.205 429 2HG1 VAL 52 2HG1 VAL 52 4.023 -1.553 -1.288 430 3HG1 VAL 52 3HG1 VAL 52 3.002 -0.159 -1.719 431 1HG2 VAL 52 1HG2 VAL 52 0.013 -2.734 -1.765 432 2HG2 VAL 52 2HG2 VAL 52 0.601 -1.715 -0.430 433 3HG2 VAL 52 3HG2 VAL 52 0.197 -0.979 -2.000 434 H TYR 53 H TYR 53 0.062 -1.459 -4.947 435 HA TYR 53 HA TYR 53 0.699 1.333 -5.410 436 1HB TYR 53 1HB TYR 53 -0.568 -0.861 -6.739 437 2HB TYR 53 2HB TYR 53 -1.897 0.206 -6.328 438 HD1 TYR 53 HD1 TYR 53 1.557 0.452 -7.794 439 HD2 TYR 53 HD2 TYR 53 -2.504 1.793 -7.905 440 HE1 TYR 53 HE1 TYR 53 2.081 1.893 -9.821 441 HE2 TYR 53 HE2 TYR 53 -1.967 3.229 -9.932 442 HH TYR 53 HH TYR 53 0.309 4.350 -10.791 443 H VAL 54 H VAL 54 -0.799 3.076 -4.970 444 HA VAL 54 HA VAL 54 -3.060 2.501 -3.286 445 HB VAL 54 HB VAL 54 -2.104 4.228 -1.594 446 1HG1 VAL 54 1HG1 VAL 54 -1.490 2.477 -0.151 447 2HG1 VAL 54 2HG1 VAL 54 -2.618 1.721 -1.302 448 3HG1 VAL 54 3HG1 VAL 54 -0.864 1.475 -1.482 449 1HG2 VAL 54 1HG2 VAL 54 0.333 4.071 -1.275 450 2HG2 VAL 54 2HG2 VAL 54 0.464 3.104 -2.764 451 3HG2 VAL 54 3HG2 VAL 54 -0.079 4.796 -2.848 452 H THR 55 H THR 55 -4.667 3.875 -3.868 453 HA THR 55 HA THR 55 -3.839 6.363 -5.213 454 HB THR 55 HB THR 55 -4.930 5.214 -6.922 455 HG1 THR 55 HG1 THR 55 -6.282 7.059 -6.263 456 1HG2 THR 55 1HG2 THR 55 -7.030 3.758 -6.342 457 2HG2 THR 55 2HG2 THR 55 -5.433 3.083 -5.940 458 3HG2 THR 55 3HG2 THR 55 -6.434 3.820 -4.666 459 H PHE 56 H PHE 56 -4.652 8.297 -4.544 460 HA PHE 56 HA PHE 56 -6.657 8.156 -2.409 461 1HB PHE 56 1HB PHE 56 -4.347 10.157 -2.546 462 2HB PHE 56 2HB PHE 56 -5.318 9.753 -1.146 463 HD1 PHE 56 HD1 PHE 56 -2.983 8.090 -3.543 464 HD2 PHE 56 HD2 PHE 56 -4.382 8.381 0.453 465 HE1 PHE 56 HE1 PHE 56 -1.243 6.435 -2.813 466 HE2 PHE 56 HE2 PHE 56 -2.641 6.727 1.183 467 HZ PHE 56 HZ PHE 56 -1.094 5.773 -0.459 468 H LEU 57 H LEU 57 -7.849 10.239 -2.093 469 HA LEU 57 HA LEU 57 -8.262 11.478 -4.694 470 1HB LEU 57 1HB LEU 57 -10.100 10.451 -3.261 471 2HB LEU 57 2HB LEU 57 -9.903 11.825 -2.192 472 HG LEU 57 HG LEU 57 -10.269 13.231 -4.386 473 1HD1 LEU 57 1HD1 LEU 57 -10.206 11.213 -5.857 474 2HD1 LEU 57 2HD1 LEU 57 -11.744 10.695 -5.128 475 3HD1 LEU 57 3HD1 LEU 57 -11.663 12.216 -6.046 476 1HD2 LEU 57 1HD2 LEU 57 -12.495 11.805 -2.907 477 2HD2 LEU 57 2HD2 LEU 57 -11.725 13.347 -2.464 478 3HD2 LEU 57 3HD2 LEU 57 -12.705 13.236 -3.945 479 H ASN 58 H ASN 58 -5.929 11.941 -2.676 480 HA ASN 58 HA ASN 58 -6.220 14.392 -1.510 481 1HB ASN 58 1HB ASN 58 -3.990 12.635 -2.357 482 2HB ASN 58 2HB ASN 58 -3.544 14.330 -2.392 483 1HD2 ASN 58 1HD2 ASN 58 -4.972 15.428 -0.379 484 2HD2 ASN 58 2HD2 ASN 58 -4.507 14.785 1.159 485 H ASP 59 H ASP 59 -5.649 13.419 -4.889 486 HA ASP 59 HA ASP 59 -4.474 15.458 -6.058 487 1HB ASP 59 1HB ASP 59 -5.256 13.791 -7.515 488 2HB ASP 59 2HB ASP 59 -6.868 13.799 -6.828 489 HD2 ASP 59 HD ASP 59 -4.768 15.928 -8.483 490 H LYS 60 H LYS 60 -7.878 15.353 -4.848 491 HA LYS 60 HA LYS 60 -8.989 17.558 -5.878 492 1HB LYS 60 1HB LYS 60 -9.184 16.165 -3.259 493 2HB LYS 60 2HB LYS 60 -9.881 17.771 -3.336 494 1HG LYS 60 1HG LYS 60 -10.696 16.523 -5.746 495 2HG LYS 60 2HG LYS 60 -10.851 15.274 -4.527 496 1HD LYS 60 1HD LYS 60 -11.918 18.059 -3.971 497 2HD LYS 60 2HD LYS 60 -12.857 16.946 -4.947 498 1HE LYS 60 1HE LYS 60 -13.093 15.377 -3.162 499 2HE LYS 60 2HE LYS 60 -11.750 16.055 -2.262 500 1HZ LYS 60 1HZ LYS 60 -14.124 17.725 -2.798 501 2HZ LYS 60 2HZ LYS 60 -14.146 16.669 -1.557 502 H ASP 61 H ASP 61 -6.546 17.458 -3.230 503 HA ASP 61 HA ASP 61 -6.225 20.319 -3.690 504 1HB ASP 61 1HB ASP 61 -5.491 19.109 -1.031 505 2HB ASP 61 2HB ASP 61 -6.013 20.742 -1.391 506 HD2 ASP 61 HD ASP 61 -9.300 20.195 -1.148 507 H GLU 62 H GLU 62 -4.157 20.700 -4.503 508 HA GLU 62 HA GLU 62 -2.276 18.637 -4.602 509 1HB GLU 62 1HB GLU 62 -2.575 20.607 -6.222 510 2HB GLU 62 2HB GLU 62 -1.740 21.602 -5.047 511 1HG GLU 62 1HG GLU 62 0.052 19.589 -5.150 512 2HG GLU 62 2HG GLU 62 -0.667 19.342 -6.730 513 HE2 GLU 62 HE GLU 62 1.590 21.736 -5.201 514 H ASP 63 H ASP 63 -3.065 21.036 -2.200 515 HA ASP 63 HA ASP 63 -0.515 21.289 -1.077 516 1HB ASP 63 1HB ASP 63 -3.106 22.349 -0.655 517 2HB ASP 63 2HB ASP 63 -2.731 21.519 0.841 518 HD2 ASP 63 HD ASP 63 -2.258 24.291 -0.877 519 H ALA 64 H ALA 64 -3.417 19.211 -0.455 520 HA ALA 64 HA ALA 64 -2.145 17.858 1.737 521 1HB ALA 64 1HB ALA 64 -4.587 18.303 1.646 522 2HB ALA 64 2HB ALA 64 -4.712 17.260 0.209 523 3HB ALA 64 3HB ALA 64 -4.231 16.564 1.775 524 H VAL 65 H VAL 65 -2.195 17.651 -1.737 525 HA VAL 65 HA VAL 65 -1.732 14.843 -1.890 526 HB VAL 65 HB VAL 65 -2.459 16.869 -3.614 527 1HG1 VAL 65 1HG1 VAL 65 -0.805 16.977 -5.377 528 2HG1 VAL 65 2HG1 VAL 65 -0.056 17.496 -3.849 529 3HG1 VAL 65 3HG1 VAL 65 0.269 15.868 -4.492 530 1HG2 VAL 65 1HG2 VAL 65 -1.984 13.973 -3.718 531 2HG2 VAL 65 2HG2 VAL 65 -3.339 14.939 -4.349 532 3HG2 VAL 65 3HG2 VAL 65 -1.846 14.774 -5.301 533 H LYS 66 H LYS 66 0.280 17.829 -1.824 534 HA LYS 66 HA LYS 66 2.700 16.359 -2.211 535 1HB LYS 66 1HB LYS 66 2.118 18.837 -2.798 536 2HB LYS 66 2HB LYS 66 2.541 19.165 -1.131 537 1HG LYS 66 1HG LYS 66 4.753 17.969 -1.522 538 2HG LYS 66 2HG LYS 66 4.328 17.826 -3.216 539 1HD LYS 66 1HD LYS 66 4.309 20.233 -3.513 540 2HD LYS 66 2HD LYS 66 4.376 20.517 -1.784 541 1HE LYS 66 1HE LYS 66 6.622 18.838 -2.555 542 2HE LYS 66 2HE LYS 66 6.573 20.239 -3.606 543 1HZ LYS 66 1HZ LYS 66 7.556 21.288 -1.881 544 2HZ LYS 66 2HZ LYS 66 6.103 21.303 -1.147 545 H ALA 67 H ALA 67 1.056 17.982 0.584 546 HA ALA 67 HA ALA 67 3.013 17.231 2.453 547 1HB ALA 67 1HB ALA 67 0.941 18.948 2.445 548 2HB ALA 67 2HB ALA 67 0.160 17.586 3.282 549 3HB ALA 67 3HB ALA 67 1.642 18.309 3.951 550 H GLY 68 H GLY 68 -0.211 15.803 1.581 551 1HA GLY 68 1HA GLY 68 -0.197 13.682 3.358 552 2HA GLY 68 2HA GLY 68 -1.007 13.715 1.805 553 H ILE 69 H ILE 69 0.761 13.592 -0.156 554 HA ILE 69 HA ILE 69 1.744 11.008 -0.084 555 HB ILE 69 HB ILE 69 1.176 12.568 -2.044 556 1HG1 ILE 69 1HG1 ILE 69 3.494 10.624 -2.040 557 2HG1 ILE 69 2HG1 ILE 69 1.815 10.299 -2.423 558 1HG2 ILE 69 1HG2 ILE 69 4.128 13.172 -2.012 559 2HG2 ILE 69 2HG2 ILE 69 2.835 13.906 -2.991 560 3HG2 ILE 69 3HG2 ILE 69 2.946 14.262 -1.251 561 1HD1 ILE 69 1HD1 ILE 69 2.646 10.515 -4.575 562 2HD1 ILE 69 2HD1 ILE 69 2.236 12.220 -4.263 563 3HD1 ILE 69 3HD1 ILE 69 3.916 11.662 -4.080 564 H LYS 70 H LYS 70 3.261 14.138 0.765 565 HA LYS 70 HA LYS 70 5.888 13.190 0.908 566 1HB LYS 70 1HB LYS 70 5.472 15.536 0.778 567 2HB LYS 70 2HB LYS 70 4.454 15.516 2.204 568 1HG LYS 70 1HG LYS 70 6.293 15.195 3.676 569 2HG LYS 70 2HG LYS 70 7.330 14.577 2.406 570 1HD LYS 70 1HD LYS 70 7.975 16.889 3.046 571 2HD LYS 70 2HD LYS 70 7.468 16.815 1.370 572 1HE LYS 70 1HE LYS 70 5.995 18.481 1.834 573 2HE LYS 70 2HE LYS 70 5.071 17.312 2.757 574 1HZ LYS 70 1HZ LYS 70 5.629 19.182 4.160 575 2HZ LYS 70 2HZ LYS 70 6.470 17.901 4.710 576 H ALA 71 H ALA 71 3.099 12.975 3.103 577 HA ALA 71 HA ALA 71 4.663 12.184 5.353 578 1HB ALA 71 1HB ALA 71 2.656 13.117 6.007 579 2HB ALA 71 2HB ALA 71 1.762 12.430 4.629 580 3HB ALA 71 3HB ALA 71 2.196 11.398 6.013 581 H LEU 72 H LEU 72 3.007 10.590 2.616 582 HA LEU 72 HA LEU 72 3.214 7.985 3.739 583 1HB LEU 72 1HB LEU 72 2.611 9.034 0.977 584 2HB LEU 72 2HB LEU 72 2.677 7.322 1.350 585 HG LEU 72 HG LEU 72 0.718 9.381 2.364 586 1HD1 LEU 72 1HD1 LEU 72 0.435 6.794 0.819 587 2HD1 LEU 72 2HD1 LEU 72 -0.931 7.725 1.478 588 3HD1 LEU 72 3HD1 LEU 72 0.125 8.448 0.240 589 1HD2 LEU 72 1HD2 LEU 72 1.344 8.136 4.322 590 2HD2 LEU 72 2HD2 LEU 72 -0.261 7.587 3.781 591 3HD2 LEU 72 3HD2 LEU 72 1.179 6.592 3.452 592 H GLN 73 H GLN 73 5.342 10.173 1.991 593 HA GLN 73 HA GLN 73 7.055 8.096 1.087 594 1HB GLN 73 1HB GLN 73 6.706 10.863 0.567 595 2HB GLN 73 2HB GLN 73 8.320 10.725 1.234 596 1HG GLN 73 1HG GLN 73 7.699 8.591 -0.724 597 2HG GLN 73 2HG GLN 73 7.602 10.198 -1.415 598 1HE2 GLN 73 1HE2 GLN 73 9.617 7.754 -0.055 599 2HE2 GLN 73 2HE2 GLN 73 11.161 8.488 -0.344 600 H GLU 74 H GLU 74 7.203 10.646 3.670 601 HA GLU 74 HA GLU 74 9.661 9.821 4.655 602 1HB GLU 74 1HB GLU 74 9.155 11.243 6.570 603 2HB GLU 74 2HB GLU 74 8.593 12.033 5.111 604 1HG GLU 74 1HG GLU 74 6.549 12.203 6.078 605 2HG GLU 74 2HG GLU 74 6.392 10.465 5.920 606 HE2 GLU 74 HE GLU 74 6.814 9.536 8.881 607 H ALA 75 H ALA 75 6.337 8.679 5.182 608 HA ALA 75 HA ALA 75 7.180 7.030 7.421 609 1HB ALA 75 1HB ALA 75 4.813 6.549 7.650 610 2HB ALA 75 2HB ALA 75 5.010 8.302 7.412 611 3HB ALA 75 3HB ALA 75 4.467 7.277 6.062 612 H SER 76 H SER 76 8.016 6.807 4.398 613 HA SER 76 HA SER 76 6.853 4.590 3.311 614 1HB SER 76 1HB SER 76 8.293 5.750 1.877 615 2HB SER 76 2HB SER 76 9.559 5.893 3.081 616 HG SER 76 HG SER 76 10.450 4.129 2.281 617 H GLY 77 H GLY 77 10.182 4.544 4.780 618 1HA GLY 77 1HA GLY 77 10.385 1.826 5.128 619 2HA GLY 77 2HA GLY 77 11.213 3.035 6.089 620 H PHE 78 H PHE 78 8.348 4.109 6.849 621 HA PHE 78 HA PHE 78 8.201 2.605 9.261 622 1HB PHE 78 1HB PHE 78 7.218 5.085 8.022 623 2HB PHE 78 2HB PHE 78 5.878 4.260 8.794 624 HD1 PHE 78 HD1 PHE 78 8.439 6.567 9.296 625 HD2 PHE 78 HD2 PHE 78 6.434 3.383 11.255 626 HE1 PHE 78 HE1 PHE 78 9.152 7.487 11.519 627 HE2 PHE 78 HE2 PHE 78 7.146 4.303 13.480 628 HZ PHE 78 HZ PHE 78 8.496 6.343 13.585 629 H ILE 79 H ILE 79 6.193 2.934 6.275 630 HA ILE 79 HA ILE 79 4.150 1.226 7.259 631 HB ILE 79 HB ILE 79 3.439 1.252 4.845 632 1HG1 ILE 79 1HG1 ILE 79 5.582 3.346 4.465 633 2HG1 ILE 79 2HG1 ILE 79 5.853 1.666 4.049 634 1HG2 ILE 79 1HG2 ILE 79 3.799 3.732 6.511 635 2HG2 ILE 79 2HG2 ILE 79 2.994 3.801 4.925 636 3HG2 ILE 79 3HG2 ILE 79 2.333 2.768 6.215 637 1HD1 ILE 79 1HD1 ILE 79 3.580 3.399 2.976 638 2HD1 ILE 79 2HD1 ILE 79 5.053 2.948 2.085 639 3HD1 ILE 79 3HD1 ILE 79 3.874 1.697 2.544 640 H ARG 80 H ARG 80 7.120 0.822 5.283 641 HA ARG 80 HA ARG 80 6.555 -1.796 4.542 642 1HB ARG 80 1HB ARG 80 8.240 -0.650 3.288 643 2HB ARG 80 2HB ARG 80 9.095 -0.137 4.728 644 1HG ARG 80 1HG ARG 80 10.013 -2.302 5.114 645 2HG ARG 80 2HG ARG 80 8.814 -3.096 4.111 646 1HD ARG 80 1HD ARG 80 10.769 -3.097 2.758 647 2HD ARG 80 2HD ARG 80 9.827 -1.765 2.119 648 HE ARG 80 HE ARG 80 11.445 -0.259 2.906 649 1HH1 ARG 80 2HH2 ARG 80 11.947 -3.406 4.456 650 2HH1 ARG 80 1HH2 ARG 80 13.453 -2.948 5.180 651 1HH2 ARG 80 1HH ARG 80 14.307 -0.738 4.816 652 H SER 81 H SER 81 8.475 -0.342 7.250 653 HA SER 81 HA SER 81 9.269 -2.839 8.262 654 1HB SER 81 1HB SER 81 10.575 -0.843 8.745 655 2HB SER 81 2HB SER 81 9.195 -0.047 9.476 656 HG SER 81 HG SER 81 10.634 -2.346 10.479 657 H LEU 82 H LEU 82 6.557 -0.565 8.881 658 HA LEU 82 HA LEU 82 5.617 -1.758 11.220 659 1HB LEU 82 1HB LEU 82 4.977 0.459 10.504 660 2HB LEU 82 2HB LEU 82 4.207 -0.181 9.066 661 HG LEU 82 HG LEU 82 3.143 -1.351 11.535 662 1HD1 LEU 82 1HD1 LEU 82 2.753 1.623 11.101 663 2HD1 LEU 82 2HD1 LEU 82 1.960 0.610 12.331 664 3HD1 LEU 82 3HD1 LEU 82 3.718 0.884 12.402 665 1HD2 LEU 82 1HD2 LEU 82 1.554 -1.749 10.036 666 2HD2 LEU 82 2HD2 LEU 82 1.135 -0.019 10.103 667 3HD2 LEU 82 3HD2 LEU 82 2.280 -0.611 8.876 668 H LEU 83 H LEU 83 5.165 -2.525 7.752 669 HA LEU 83 HA LEU 83 3.087 -4.390 8.192 670 1HB LEU 83 1HB LEU 83 4.778 -3.468 5.964 671 2HB LEU 83 2HB LEU 83 4.239 -5.130 5.835 672 HG LEU 83 HG LEU 83 1.905 -4.433 5.999 673 1HD1 LEU 83 1HD1 LEU 83 2.741 -1.542 5.925 674 2HD1 LEU 83 2HD1 LEU 83 1.159 -2.253 6.321 675 3HD1 LEU 83 3HD1 LEU 83 2.512 -2.398 7.468 676 1HD2 LEU 83 1HD2 LEU 83 3.464 -2.860 3.928 677 2HD2 LEU 83 2HD2 LEU 83 2.913 -4.546 3.789 678 3HD2 LEU 83 3HD2 LEU 83 1.724 -3.226 3.864 679 H GLY 84 H GLY 84 6.617 -4.826 7.430 680 1HA GLY 84 1HA GLY 84 6.848 -7.513 7.610 681 2HA GLY 84 2HA GLY 84 8.069 -6.390 8.179 682 H LYS 85 H LYS 85 6.620 -5.173 10.360 683 HA LYS 85 HA LYS 85 6.958 -7.271 12.286 684 1HB LYS 85 1HB LYS 85 6.776 -4.325 12.273 685 2HB LYS 85 2HB LYS 85 6.043 -5.084 13.671 686 1HG LYS 85 1HG LYS 85 8.266 -6.524 13.736 687 2HG LYS 85 2HG LYS 85 8.919 -5.248 12.728 688 1HD LYS 85 1HD LYS 85 7.413 -4.223 15.066 689 2HD LYS 85 2HD LYS 85 8.790 -5.207 15.515 690 1HE LYS 85 1HE LYS 85 9.875 -3.642 13.497 691 2HE LYS 85 2HE LYS 85 8.723 -2.532 14.213 692 1HZ LYS 85 1HZ LYS 85 9.821 -2.609 16.249 693 2HZ LYS 85 2HZ LYS 85 10.504 -4.064 15.988 694 H ALA 86 H ALA 86 4.273 -5.382 10.830 695 HA ALA 86 HA ALA 86 2.281 -6.297 12.571 696 1HB ALA 86 1HB ALA 86 0.928 -5.770 10.288 697 2HB ALA 86 2HB ALA 86 1.550 -4.494 11.361 698 3HB ALA 86 3HB ALA 86 2.466 -4.962 9.908 699 H MET 87 H MET 87 3.908 -7.717 9.747 700 HA MET 87 HA MET 87 2.082 -9.982 9.983 701 1HB MET 87 1HB MET 87 3.922 -9.438 7.611 702 2HB MET 87 2HB MET 87 2.458 -10.400 7.637 703 1HG MET 87 1HG MET 87 1.241 -8.150 8.250 704 2HG MET 87 2HG MET 87 2.710 -7.370 7.699 705 1HE MET 87 1HE MET 87 2.546 -6.507 4.957 706 2HE MET 87 2HE MET 87 3.774 -7.588 5.659 707 3HE MET 87 3HE MET 87 3.035 -7.982 4.089 708 H ARG 88 H ARG 88 4.748 -9.144 11.422 709 HA ARG 88 HA ARG 88 6.826 -9.978 11.655 710 1HB ARG 88 1HB ARG 88 4.787 -12.051 12.552 711 2HB ARG 88 2HB ARG 88 6.494 -12.313 12.848 712 1HG ARG 88 1HG ARG 88 6.582 -10.039 13.986 713 2HG ARG 88 2HG ARG 88 4.844 -9.926 13.799 714 1HD ARG 88 1HD ARG 88 5.468 -12.509 14.959 715 2HD ARG 88 2HD ARG 88 6.316 -11.276 15.870 716 HE ARG 88 HE ARG 88 3.626 -10.392 15.393 717 1HH1 ARG 88 2HH2 ARG 88 5.413 -12.769 17.319 718 2HH1 ARG 88 1HH2 ARG 88 4.226 -12.825 18.580 719 1HH2 ARG 88 1HH ARG 88 2.264 -11.461 18.405 720 H LEU 89 H LEU 89 7.662 -10.190 9.450 721 HA LEU 89 HA LEU 89 7.710 -12.988 8.563 722 1HB LEU 89 1HB LEU 89 6.352 -11.048 7.251 723 2HB LEU 89 2HB LEU 89 7.929 -10.878 6.505 724 HG LEU 89 HG LEU 89 7.902 -13.214 5.807 725 1HD1 LEU 89 1HD1 LEU 89 6.722 -14.710 6.943 726 2HD1 LEU 89 2HD1 LEU 89 5.815 -13.431 7.786 727 3HD1 LEU 89 3HD1 LEU 89 5.244 -14.038 6.213 728 1HD2 LEU 89 1HD2 LEU 89 5.248 -12.005 5.023 729 2HD2 LEU 89 2HD2 LEU 89 6.807 -11.363 4.451 730 3HD2 LEU 89 3HD2 LEU 89 6.334 -13.032 4.058 731 H ARG 90 H ARG 90 9.520 -12.000 6.302 732 HA ARG 90 HA ARG 90 11.767 -10.991 7.737 733 1HB ARG 90 1HB ARG 90 13.232 -12.961 6.984 734 2HB ARG 90 2HB ARG 90 12.119 -13.310 8.293 735 1HG ARG 90 1HG ARG 90 10.538 -13.886 6.104 736 2HG ARG 90 2HG ARG 90 12.120 -14.317 5.485 737 1HD ARG 90 1HD ARG 90 11.587 -15.280 8.257 738 2HD ARG 90 2HD ARG 90 10.536 -15.975 7.037 739 HE ARG 90 HE ARG 90 13.083 -16.144 5.913 740 1HH1 ARG 90 2HH2 ARG 90 11.604 -17.294 8.920 741 2HH1 ARG 90 1HH2 ARG 90 12.645 -18.672 9.051 742 1HH2 ARG 90 1HH ARG 90 14.315 -19.045 7.373 743 H ILE 91 H ILE 91 10.380 -12.480 4.759 744 HA ILE 91 HA ILE 91 12.164 -11.965 2.860 745 HB ILE 91 HB ILE 91 10.096 -11.250 1.455 746 1HG1 ILE 91 1HG1 ILE 91 8.363 -12.528 3.448 747 2HG1 ILE 91 2HG1 ILE 91 8.962 -10.967 3.969 748 1HG2 ILE 91 1HG2 ILE 91 11.111 -13.753 2.417 749 2HG2 ILE 91 2HG2 ILE 91 9.344 -13.864 2.233 750 3HG2 ILE 91 3HG2 ILE 91 10.353 -13.366 0.854 751 1HD1 ILE 91 1HD1 ILE 91 8.098 -11.004 1.133 752 2HD1 ILE 91 2HD1 ILE 91 6.794 -11.349 2.293 753 3HD1 ILE 91 3HD1 ILE 91 7.722 -9.834 2.421 754 H VAL 92 H VAL 92 10.338 -9.530 4.717 755 HA VAL 92 HA VAL 92 10.197 -7.276 4.291 756 HB VAL 92 HB VAL 92 13.069 -7.892 5.010 757 1HG1 VAL 92 1HG1 VAL 92 13.221 -5.651 4.459 758 2HG1 VAL 92 2HG1 VAL 92 11.533 -5.311 4.911 759 3HG1 VAL 92 3HG1 VAL 92 12.763 -5.554 6.175 760 1HG2 VAL 92 1HG2 VAL 92 10.504 -7.774 6.537 761 2HG2 VAL 92 2HG2 VAL 92 11.923 -8.826 6.755 762 3HG2 VAL 92 3HG2 VAL 92 11.969 -7.142 7.325 763 HA PRO 93 HA PRO 93 12.030 -7.282 0.103 764 1HB PRO 93 1HB PRO 93 9.733 -7.296 -1.379 765 2HB PRO 93 2HB PRO 93 10.651 -8.745 -1.021 766 1HG PRO 93 1HG PRO 93 8.096 -7.833 0.155 767 2HG PRO 93 2HG PRO 93 8.803 -9.437 0.174 768 1HD PRO 93 1HD PRO 93 8.754 -7.556 2.340 769 2HD PRO 93 2HD PRO 93 9.560 -9.113 2.321 770 H GLU 94 H GLU 94 12.159 -5.581 -1.492 771 HA GLU 94 HA GLU 94 11.724 -3.135 -0.218 772 1HB GLU 94 1HB GLU 94 13.221 -4.068 -2.391 773 2HB GLU 94 2HB GLU 94 12.065 -2.989 -3.143 774 1HG GLU 94 1HG GLU 94 12.723 -1.143 -1.672 775 2HG GLU 94 2HG GLU 94 13.729 -2.206 -0.708 776 HE2 GLU 94 HE GLU 94 16.257 -1.235 -2.054 777 H LEU 95 H LEU 95 9.304 -3.738 0.206 778 HA LEU 95 HA LEU 95 7.517 -3.557 -1.980 779 1HB LEU 95 1HB LEU 95 5.821 -3.297 -0.150 780 2HB LEU 95 2HB LEU 95 6.784 -4.760 -0.126 781 HG LEU 95 HG LEU 95 8.166 -2.907 1.501 782 1HD1 LEU 95 1HD1 LEU 95 6.677 -1.537 2.406 783 2HD1 LEU 95 2HD1 LEU 95 5.369 -2.278 1.453 784 3HD1 LEU 95 3HD1 LEU 95 5.796 -2.943 3.048 785 1HD2 LEU 95 1HD2 LEU 95 6.473 -5.337 2.120 786 2HD2 LEU 95 2HD2 LEU 95 8.237 -5.256 1.890 787 3HD2 LEU 95 3HD2 LEU 95 7.491 -4.503 3.319 788 H THR 96 H THR 96 7.960 -1.705 -3.215 789 HA THR 96 HA THR 96 8.274 0.848 -2.020 790 HB THR 96 HB THR 96 9.143 0.025 -4.289 791 HG1 THR 96 HG1 THR 96 9.190 2.248 -4.247 792 1HG2 THR 96 1HG2 THR 96 6.208 -0.081 -4.759 793 2HG2 THR 96 2HG2 THR 96 7.092 0.875 -5.971 794 3HG2 THR 96 3HG2 THR 96 7.526 -0.828 -5.692 795 H PHE 97 H PHE 97 6.829 2.735 -2.430 796 HA PHE 97 HA PHE 97 4.038 1.862 -2.169 797 1HB PHE 97 1HB PHE 97 5.739 3.242 -0.388 798 2HB PHE 97 2HB PHE 97 4.883 4.553 -1.175 799 HD1 PHE 97 HD1 PHE 97 3.415 5.346 0.445 800 HD2 PHE 97 HD2 PHE 97 3.635 1.166 -0.254 801 HE1 PHE 97 HE1 PHE 97 1.460 4.989 1.976 802 HE2 PHE 97 HE2 PHE 97 1.679 0.808 1.278 803 HZ PHE 97 HZ PHE 97 0.615 2.723 2.375 804 H PHE 98 H PHE 98 3.103 2.214 -4.152 805 HA PHE 98 HA PHE 98 3.894 4.586 -5.628 806 1HB PHE 98 1HB PHE 98 2.871 1.884 -6.110 807 2HB PHE 98 2HB PHE 98 1.757 3.030 -6.829 808 HD1 PHE 98 HD1 PHE 98 3.026 4.985 -8.195 809 HD2 PHE 98 HD2 PHE 98 4.559 1.099 -7.459 810 HE1 PHE 98 HE1 PHE 98 4.537 5.205 -10.187 811 HE2 PHE 98 HE2 PHE 98 6.070 1.318 -9.450 812 HZ PHE 98 HZ PHE 98 6.042 3.369 -10.790 813 H TYR 99 H TYR 99 2.776 6.465 -5.455 814 HA TYR 99 HA TYR 99 0.074 6.314 -4.335 815 1HB TYR 99 1HB TYR 99 1.435 8.928 -4.865 816 2HB TYR 99 2HB TYR 99 0.697 8.371 -3.377 817 HD1 TYR 99 HD1 TYR 99 3.803 8.528 -5.326 818 HD2 TYR 99 HD2 TYR 99 1.998 7.121 -1.711 819 HE1 TYR 99 HE1 TYR 99 6.105 8.129 -4.322 820 HE2 TYR 99 HE2 TYR 99 4.305 6.727 -0.720 821 HH TYR 99 HH TYR 99 7.228 7.497 -2.596 822 H ASP 100 H ASP 100 -1.191 5.796 -6.162 823 HA ASP 100 HA ASP 100 -0.870 7.543 -8.444 824 1HB ASP 100 1HB ASP 100 -1.260 4.884 -8.381 825 2HB ASP 100 2HB ASP 100 -2.945 5.352 -8.279 826 HD2 ASP 100 HD ASP 100 -1.153 6.583 -11.647 827 H ASN 101 H ASN 101 -1.839 9.497 -7.538 828 HA ASN 101 HA ASN 101 -4.526 9.227 -6.527 829 1HB ASN 101 1HB ASN 101 -3.162 11.904 -6.857 830 2HB ASN 101 2HB ASN 101 -4.224 11.364 -5.573 831 1HD2 ASN 101 1HD2 ASN 101 -1.430 12.535 -5.745 832 2HD2 ASN 101 2HD2 ASN 101 -0.447 11.528 -4.736 833 H SER 102 H SER 102 -5.712 11.641 -7.300 834 HA SER 102 HA SER 102 -6.083 11.159 -10.103 835 1HB SER 102 1HB SER 102 -7.642 13.391 -9.172 836 2HB SER 102 2HB SER 102 -8.197 11.793 -9.628 837 HG SER 102 HG SER 102 -7.550 11.109 -7.392 838 H LEU 103 H LEU 103 -3.618 12.550 -8.758 839 HA LEU 103 HA LEU 103 -3.811 15.141 -10.093 840 1HB LEU 103 1HB LEU 103 -3.145 15.086 -7.733 841 2HB LEU 103 2HB LEU 103 -1.780 14.063 -8.133 842 HG LEU 103 HG LEU 103 -1.461 16.262 -9.816 843 1HD1 LEU 103 1HD1 LEU 103 -3.046 17.657 -8.800 844 2HD1 LEU 103 2HD1 LEU 103 -2.602 17.124 -7.160 845 3HD1 LEU 103 3HD1 LEU 103 -1.491 18.156 -8.092 846 1HD2 LEU 103 1HD2 LEU 103 0.453 16.791 -8.375 847 2HD2 LEU 103 2HD2 LEU 103 -0.193 15.708 -7.120 848 3HD2 LEU 103 3HD2 LEU 103 0.321 15.044 -8.690 849 H VAL 104 H VAL 104 -3.146 12.042 -10.946 850 HA VAL 104 HA VAL 104 -1.182 12.949 -12.914 851 HB VAL 104 HB VAL 104 -0.952 10.727 -10.945 852 1HG1 VAL 104 1HG1 VAL 104 -1.008 9.408 -12.931 853 2HG1 VAL 104 2HG1 VAL 104 0.016 10.567 -13.813 854 3HG1 VAL 104 3HG1 VAL 104 0.707 9.597 -12.491 855 1HG2 VAL 104 1HG2 VAL 104 0.452 12.576 -10.516 856 2HG2 VAL 104 2HG2 VAL 104 1.511 11.360 -11.268 857 3HG2 VAL 104 3HG2 VAL 104 0.913 12.734 -12.229 858 H GLU 105 H GLU 105 -4.251 12.061 -12.393 859 HA GLU 105 HA GLU 105 -4.449 10.950 -15.017 860 1HB GLU 105 1HB GLU 105 -4.712 9.268 -12.608 861 2HB GLU 105 2HB GLU 105 -6.134 9.199 -13.631 862 1HG GLU 105 1HG GLU 105 -5.027 7.777 -15.004 863 2HG GLU 105 2HG GLU 105 -3.938 9.082 -15.427 864 HE2 GLU 105 HE GLU 105 -1.796 6.818 -14.714 865 H GLY 106 H GLY 106 -5.986 11.953 -11.925 866 1HA GLY 106 1HA GLY 106 -7.631 13.552 -11.722 867 2HA GLY 106 2HA GLY 106 -7.976 13.447 -13.437 868 H MET 107 H MET 107 -7.929 10.329 -13.103 869 HA MET 107 HA MET 107 -10.694 10.218 -12.209 870 1HB MET 107 1HB MET 107 -9.079 8.166 -13.822 871 2HB MET 107 2HB MET 107 -10.818 8.168 -13.600 872 1HG MET 107 1HG MET 107 -11.158 9.782 -15.204 873 2HG MET 107 2HG MET 107 -9.758 10.714 -14.713 874 1HE MET 107 1HE MET 107 -7.434 9.835 -14.888 875 2HE MET 107 2HE MET 107 -7.400 8.062 -15.035 876 3HE MET 107 3HE MET 107 -6.795 9.076 -16.366 877 H ARG 108 H ARG 108 -8.033 10.102 -10.576 878 HA ARG 108 HA ARG 108 -8.451 7.463 -9.442 879 1HB ARG 108 1HB ARG 108 -6.108 9.336 -9.623 880 2HB ARG 108 2HB ARG 108 -6.216 8.381 -8.159 881 1HG ARG 108 1HG ARG 108 -6.111 7.344 -11.026 882 2HG ARG 108 2HG ARG 108 -4.895 7.131 -9.782 883 1HD ARG 108 1HD ARG 108 -6.905 5.983 -8.440 884 2HD ARG 108 2HD ARG 108 -7.598 5.792 -10.039 885 HE ARG 108 HE ARG 108 -4.787 4.915 -9.741 886 1HH1 ARG 108 2HH2 ARG 108 -8.200 3.972 -9.830 887 2HH1 ARG 108 1HH2 ARG 108 -7.860 2.305 -10.155 888 1HH2 ARG 108 1HH ARG 108 -5.581 1.589 -10.353 Start of MODEL 5 1 H MET 1 H MET 1 -10.383 -8.642 0.103 2 HA MET 1 HA MET 1 -8.926 -11.068 -0.308 3 1HB MET 1 1HB MET 1 -10.432 -11.246 1.858 4 2HB MET 1 2HB MET 1 -11.786 -11.270 0.746 5 1HG MET 1 1HG MET 1 -11.008 -13.307 -0.312 6 2HG MET 1 2HG MET 1 -9.435 -13.191 0.452 7 1HE MET 1 1HE MET 1 -13.165 -12.749 1.892 8 2HE MET 1 2HE MET 1 -13.103 -14.071 0.701 9 3HE MET 1 3HE MET 1 -13.392 -14.434 2.420 10 H ALA 2 H ALA 2 -10.151 -12.533 -1.928 11 HA ALA 2 HA ALA 2 -12.369 -11.765 -3.316 12 1HB ALA 2 1HB ALA 2 -10.315 -9.877 -3.746 13 2HB ALA 2 2HB ALA 2 -10.351 -10.885 -5.214 14 3HB ALA 2 3HB ALA 2 -11.827 -10.053 -4.670 15 H LYS 3 H LYS 3 -9.039 -13.047 -3.350 16 HA LYS 3 HA LYS 3 -10.020 -15.203 -5.089 17 1HB LYS 3 1HB LYS 3 -8.093 -13.443 -5.803 18 2HB LYS 3 2HB LYS 3 -7.104 -14.637 -4.987 19 1HG LYS 3 1HG LYS 3 -7.244 -15.296 -7.313 20 2HG LYS 3 2HG LYS 3 -8.205 -16.437 -6.397 21 1HD LYS 3 1HD LYS 3 -9.988 -14.319 -7.046 22 2HD LYS 3 2HD LYS 3 -9.050 -14.589 -8.501 23 1HE LYS 3 1HE LYS 3 -9.609 -17.193 -7.669 24 2HE LYS 3 2HE LYS 3 -11.068 -16.338 -7.211 25 1HZ LYS 3 1HZ LYS 3 -11.446 -15.697 -9.428 26 2HZ LYS 3 2HZ LYS 3 -9.915 -15.975 -9.909 27 H GLU 4 H GLU 4 -10.745 -16.492 -3.344 28 HA GLU 4 HA GLU 4 -8.701 -17.164 -1.400 29 1HB GLU 4 1HB GLU 4 -10.738 -18.377 -0.304 30 2HB GLU 4 2HB GLU 4 -10.678 -16.627 -0.249 31 1HG GLU 4 1HG GLU 4 -12.242 -16.421 -2.095 32 2HG GLU 4 2HG GLU 4 -12.123 -18.129 -2.474 33 HE2 GLU 4 HE GLU 4 -15.137 -17.980 -0.774 34 H PHE 5 H PHE 5 -7.382 -18.543 -2.716 35 HA PHE 5 HA PHE 5 -8.571 -21.171 -3.089 36 1HB PHE 5 1HB PHE 5 -8.483 -19.526 -5.216 37 2HB PHE 5 2HB PHE 5 -6.768 -19.886 -5.195 38 HD1 PHE 5 HD1 PHE 5 -9.961 -21.820 -4.915 39 HD2 PHE 5 HD2 PHE 5 -6.105 -21.522 -6.662 40 HE1 PHE 5 HE1 PHE 5 -10.389 -23.924 -6.217 41 HE2 PHE 5 HE2 PHE 5 -6.533 -23.624 -7.964 42 HZ PHE 5 HZ PHE 5 -8.669 -24.800 -7.726 43 H GLY 6 H GLY 6 -6.442 -22.497 -4.253 44 1HA GLY 6 1HA GLY 6 -4.460 -22.345 -2.109 45 2HA GLY 6 2HA GLY 6 -4.708 -23.657 -3.242 46 H ARG 7 H ARG 7 -4.891 -20.784 -5.015 47 HA ARG 7 HA ARG 7 -2.320 -21.294 -6.112 48 1HB ARG 7 1HB ARG 7 -4.777 -20.058 -6.967 49 2HB ARG 7 2HB ARG 7 -3.515 -18.855 -7.140 50 1HG ARG 7 1HG ARG 7 -2.989 -19.878 -9.102 51 2HG ARG 7 2HG ARG 7 -2.283 -21.154 -8.131 52 1HD ARG 7 1HD ARG 7 -4.520 -22.323 -8.089 53 2HD ARG 7 2HD ARG 7 -5.176 -21.066 -9.121 54 HE ARG 7 HE ARG 7 -4.106 -22.049 -10.952 55 1HH1 ARG 7 2HH2 ARG 7 -2.582 -23.240 -7.984 56 2HH1 ARG 7 1HH2 ARG 7 -1.587 -24.393 -8.808 57 1HH2 ARG 7 1HH ARG 7 -1.729 -24.571 -11.194 58 HA PRO 8 HA PRO 8 -0.220 -17.852 -4.411 59 1HB PRO 8 1HB PRO 8 0.913 -16.466 -6.477 60 2HB PRO 8 2HB PRO 8 1.567 -17.971 -5.858 61 1HG PRO 8 1HG PRO 8 0.061 -17.494 -8.356 62 2HG PRO 8 2HG PRO 8 1.073 -18.858 -7.928 63 1HD PRO 8 1HD PRO 8 -1.794 -18.785 -7.942 64 2HD PRO 8 2HD PRO 8 -0.783 -20.110 -7.403 65 H GLN 9 H GLN 9 -3.005 -17.324 -5.971 66 HA GLN 9 HA GLN 9 -2.880 -14.467 -5.810 67 1HB GLN 9 1HB GLN 9 -4.319 -16.252 -7.369 68 2HB GLN 9 2HB GLN 9 -5.531 -15.735 -6.213 69 1HG GLN 9 1HG GLN 9 -5.803 -13.881 -7.499 70 2HG GLN 9 2HG GLN 9 -4.255 -13.335 -6.886 71 1HE2 GLN 9 1HE2 GLN 9 -3.910 -12.232 -8.834 72 2HE2 GLN 9 2HE2 GLN 9 -3.388 -13.036 -10.277 73 H ARG 10 H ARG 10 -3.882 -17.213 -3.852 74 HA ARG 10 HA ARG 10 -5.714 -15.809 -2.269 75 1HB ARG 10 1HB ARG 10 -5.324 -18.401 -2.560 76 2HB ARG 10 2HB ARG 10 -4.105 -18.211 -1.315 77 1HG ARG 10 1HG ARG 10 -6.814 -17.004 -0.790 78 2HG ARG 10 2HG ARG 10 -6.688 -18.750 -0.731 79 1HD ARG 10 1HD ARG 10 -4.731 -16.971 0.783 80 2HD ARG 10 2HD ARG 10 -6.272 -17.430 1.480 81 HE ARG 10 HE ARG 10 -4.995 -19.794 0.499 82 1HH1 ARG 10 2HH2 ARG 10 -4.615 -17.399 3.082 83 2HH1 ARG 10 1HH2 ARG 10 -3.818 -18.499 4.154 84 1HH2 ARG 10 1HH ARG 10 -3.433 -20.757 3.448 85 H VAL 11 H VAL 11 -2.233 -16.762 -1.866 86 HA VAL 11 HA VAL 11 -1.932 -15.593 0.666 87 HB VAL 11 HB VAL 11 -0.495 -17.261 -0.875 88 1HG1 VAL 11 1HG1 VAL 11 1.081 -14.672 -0.999 89 2HG1 VAL 11 2HG1 VAL 11 1.536 -16.258 -1.665 90 3HG1 VAL 11 3HG1 VAL 11 0.178 -15.352 -2.372 91 1HG2 VAL 11 1HG2 VAL 11 1.017 -17.357 0.880 92 2HG2 VAL 11 2HG2 VAL 11 1.003 -15.596 1.133 93 3HG2 VAL 11 3HG2 VAL 11 -0.385 -16.580 1.654 94 H ALA 12 H ALA 12 -1.533 -14.371 -2.694 95 HA ALA 12 HA ALA 12 -0.341 -11.940 -2.005 96 1HB ALA 12 1HB ALA 12 -0.275 -12.751 -4.268 97 2HB ALA 12 2HB ALA 12 -2.051 -12.836 -4.354 98 3HB ALA 12 3HB ALA 12 -1.238 -11.253 -4.279 99 H GLN 13 H GLN 13 -3.775 -13.000 -2.264 100 HA GLN 13 HA GLN 13 -4.798 -10.418 -1.883 101 1HB GLN 13 1HB GLN 13 -6.004 -13.195 -1.576 102 2HB GLN 13 2HB GLN 13 -6.943 -11.736 -1.327 103 1HG GLN 13 1HG GLN 13 -6.390 -13.017 -3.801 104 2HG GLN 13 2HG GLN 13 -7.226 -11.496 -3.561 105 1HE2 GLN 13 1HE2 GLN 13 -6.057 -9.536 -3.584 106 2HE2 GLN 13 2HE2 GLN 13 -4.544 -9.382 -4.414 107 H GLU 14 H GLU 14 -4.792 -13.304 0.342 108 HA GLU 14 HA GLU 14 -5.727 -12.210 2.554 109 1HB GLU 14 1HB GLU 14 -3.750 -14.333 1.964 110 2HB GLU 14 2HB GLU 14 -3.598 -13.677 3.582 111 1HG GLU 14 1HG GLU 14 -6.414 -14.148 2.808 112 2HG GLU 14 2HG GLU 14 -5.450 -15.611 2.764 113 HE2 GLU 14 HE GLU 14 -4.426 -16.171 4.973 114 H MET 15 H MET 15 -2.344 -11.838 1.337 115 HA MET 15 HA MET 15 -1.550 -10.304 3.563 116 1HB MET 15 1HB MET 15 -0.335 -11.584 1.358 117 2HB MET 15 2HB MET 15 -0.055 -9.886 1.030 118 1HG MET 15 1HG MET 15 0.454 -10.385 3.846 119 2HG MET 15 2HG MET 15 1.331 -11.569 2.898 120 1HE MET 15 1HE MET 15 4.401 -9.753 2.192 121 2HE MET 15 2HE MET 15 3.758 -10.414 3.714 122 3HE MET 15 3HE MET 15 3.460 -11.264 2.179 123 H GLN 16 H GLN 16 -2.806 -9.583 0.275 124 HA GLN 16 HA GLN 16 -2.226 -6.873 0.314 125 1HB GLN 16 1HB GLN 16 -2.919 -8.305 -1.680 126 2HB GLN 16 2HB GLN 16 -4.570 -8.213 -1.099 127 1HG GLN 16 1HG GLN 16 -3.034 -5.634 -1.415 128 2HG GLN 16 2HG GLN 16 -3.603 -6.435 -2.866 129 1HE2 GLN 16 1HE2 GLN 16 -4.980 -4.682 -3.256 130 2HE2 GLN 16 2HE2 GLN 16 -6.485 -4.479 -2.423 131 H LYS 17 H LYS 17 -4.874 -8.800 1.716 132 HA LYS 17 HA LYS 17 -6.513 -6.522 2.255 133 1HB LYS 17 1HB LYS 17 -7.424 -8.787 1.843 134 2HB LYS 17 2HB LYS 17 -6.659 -9.360 3.312 135 1HG LYS 17 1HG LYS 17 -7.965 -7.261 4.387 136 2HG LYS 17 2HG LYS 17 -9.002 -7.487 2.993 137 1HD LYS 17 1HD LYS 17 -10.070 -9.042 4.281 138 2HD LYS 17 2HD LYS 17 -8.734 -10.095 3.857 139 1HE LYS 17 1HE LYS 17 -8.444 -10.271 6.124 140 2HE LYS 17 2HE LYS 17 -7.619 -8.733 5.969 141 1HZ LYS 17 1HZ LYS 17 -10.295 -8.091 6.138 142 2HZ LYS 17 2HZ LYS 17 -10.109 -9.274 7.241 143 H GLU 18 H GLU 18 -4.156 -8.565 4.054 144 HA GLU 18 HA GLU 18 -4.629 -7.330 6.509 145 1HB GLU 18 1HB GLU 18 -3.501 -9.555 6.162 146 2HB GLU 18 2HB GLU 18 -2.093 -8.720 5.538 147 1HG GLU 18 1HG GLU 18 -1.453 -8.902 7.760 148 2HG GLU 18 2HG GLU 18 -2.279 -7.359 7.838 149 HE2 GLU 18 HE GLU 18 -1.981 -9.675 9.699 150 H ILE 19 H ILE 19 -2.327 -6.692 3.812 151 HA ILE 19 HA ILE 19 -0.968 -4.632 5.236 152 HB ILE 19 HB ILE 19 0.292 -4.347 3.284 153 1HG1 ILE 19 1HG1 ILE 19 -2.015 -5.627 1.803 154 2HG1 ILE 19 2HG1 ILE 19 -1.392 -3.998 1.627 155 1HG2 ILE 19 1HG2 ILE 19 0.167 -7.058 2.547 156 2HG2 ILE 19 2HG2 ILE 19 1.260 -6.294 3.725 157 3HG2 ILE 19 3HG2 ILE 19 -0.285 -6.994 4.268 158 1HD1 ILE 19 1HD1 ILE 19 0.893 -5.301 1.074 159 2HD1 ILE 19 2HD1 ILE 19 -0.249 -6.591 0.623 160 3HD1 ILE 19 3HD1 ILE 19 -0.336 -5.003 -0.179 161 H ALA 20 H ALA 20 -3.583 -4.802 2.755 162 HA ALA 20 HA ALA 20 -3.812 -2.109 2.235 163 1HB ALA 20 1HB ALA 20 -5.004 -3.669 0.894 164 2HB ALA 20 2HB ALA 20 -5.805 -4.396 2.307 165 3HB ALA 20 3HB ALA 20 -6.258 -2.760 1.772 166 H LEU 21 H LEU 21 -5.018 -4.068 4.991 167 HA LEU 21 HA LEU 21 -6.608 -1.977 6.057 168 1HB LEU 21 1HB LEU 21 -7.197 -4.187 6.592 169 2HB LEU 21 2HB LEU 21 -5.570 -4.602 7.091 170 HG LEU 21 HG LEU 21 -6.536 -2.444 8.736 171 1HD1 LEU 21 1HD1 LEU 21 -8.779 -3.111 8.258 172 2HD1 LEU 21 2HD1 LEU 21 -8.384 -4.829 8.499 173 3HD1 LEU 21 3HD1 LEU 21 -8.368 -3.709 9.883 174 1HD2 LEU 21 1HD2 LEU 21 -4.738 -3.918 9.388 175 2HD2 LEU 21 2HD2 LEU 21 -6.081 -4.075 10.545 176 3HD2 LEU 21 3HD2 LEU 21 -5.817 -5.331 9.312 177 H ILE 22 H ILE 22 -3.387 -3.369 7.007 178 HA ILE 22 HA ILE 22 -2.870 -1.473 8.972 179 HB ILE 22 HB ILE 22 -1.000 -3.110 7.259 180 1HG1 ILE 22 1HG1 ILE 22 -2.148 -3.618 10.019 181 2HG1 ILE 22 2HG1 ILE 22 -2.628 -4.434 8.544 182 1HG2 ILE 22 1HG2 ILE 22 -0.425 -1.674 9.865 183 2HG2 ILE 22 2HG2 ILE 22 0.693 -2.720 8.956 184 3HG2 ILE 22 3HG2 ILE 22 0.151 -1.176 8.256 185 1HD1 ILE 22 1HD1 ILE 22 0.170 -4.473 9.768 186 2HD1 ILE 22 2HD1 ILE 22 -1.005 -5.810 9.790 187 3HD1 ILE 22 3HD1 ILE 22 -0.292 -5.276 8.249 188 H LEU 23 H LEU 23 -2.896 -1.242 5.486 189 HA LEU 23 HA LEU 23 -1.192 1.101 5.494 190 1HB LEU 23 1HB LEU 23 -1.305 -0.794 3.728 191 2HB LEU 23 2HB LEU 23 -2.734 0.037 3.148 192 HG LEU 23 HG LEU 23 -1.510 1.973 2.543 193 1HD1 LEU 23 1HD1 LEU 23 1.055 1.981 3.003 194 2HD1 LEU 23 2HD1 LEU 23 -0.077 2.482 4.282 195 3HD1 LEU 23 3HD1 LEU 23 0.639 0.853 4.316 196 1HD2 LEU 23 1HD2 LEU 23 -1.277 -0.102 1.102 197 2HD2 LEU 23 2HD2 LEU 23 -0.056 1.171 0.864 198 3HD2 LEU 23 3HD2 LEU 23 0.350 -0.289 1.799 199 H GLN 24 H GLN 24 -4.501 0.271 6.001 200 HA GLN 24 HA GLN 24 -5.267 2.997 5.306 201 1HB GLN 24 1HB GLN 24 -6.535 0.427 4.864 202 2HB GLN 24 2HB GLN 24 -7.582 1.412 5.866 203 1HG GLN 24 1HG GLN 24 -7.499 3.254 4.229 204 2HG GLN 24 2HG GLN 24 -6.319 2.392 3.263 205 1HE2 GLN 24 1HE2 GLN 24 -6.940 0.909 1.822 206 2HE2 GLN 24 2HE2 GLN 24 -8.573 0.418 1.517 207 H ARG 25 H ARG 25 -4.371 1.006 7.882 208 HA ARG 25 HA ARG 25 -6.061 2.526 9.700 209 1HB ARG 25 1HB ARG 25 -5.413 -0.295 9.562 210 2HB ARG 25 2HB ARG 25 -4.752 0.338 11.056 211 1HG ARG 25 1HG ARG 25 -7.543 1.200 10.360 212 2HG ARG 25 2HG ARG 25 -7.336 -0.479 10.808 213 1HD ARG 25 1HD ARG 25 -5.873 0.650 12.801 214 2HD ARG 25 2HD ARG 25 -6.949 1.993 12.475 215 HE ARG 25 HE ARG 25 -8.622 -0.253 12.604 216 1HH1 ARG 25 2HH2 ARG 25 -6.343 1.345 14.796 217 2HH1 ARG 25 1HH2 ARG 25 -7.181 0.849 16.229 218 1HH2 ARG 25 1HH ARG 25 -9.170 -0.474 16.028 219 H GLU 26 H GLU 26 -2.795 0.928 9.439 220 HA GLU 26 HA GLU 26 -1.720 2.475 11.515 221 1HB GLU 26 1HB GLU 26 0.049 1.064 11.298 222 2HB GLU 26 2HB GLU 26 -0.968 0.190 10.170 223 1HG GLU 26 1HG GLU 26 0.936 0.528 8.857 224 2HG GLU 26 2HG GLU 26 -0.027 1.916 8.390 225 HE2 GLU 26 HE GLU 26 1.503 3.714 11.043 226 H ILE 27 H ILE 27 -2.592 3.252 8.314 227 HA ILE 27 HA ILE 27 -0.499 5.271 8.069 228 HB ILE 27 HB ILE 27 -1.751 3.558 6.251 229 1HG1 ILE 27 1HG1 ILE 27 0.183 5.856 6.056 230 2HG1 ILE 27 2HG1 ILE 27 0.492 4.136 5.935 231 1HG2 ILE 27 1HG2 ILE 27 -2.916 4.881 4.689 232 2HG2 ILE 27 2HG2 ILE 27 -3.615 5.289 6.273 233 3HG2 ILE 27 3HG2 ILE 27 -2.455 6.397 5.501 234 1HD1 ILE 27 1HD1 ILE 27 -1.195 4.352 3.839 235 2HD1 ILE 27 2HD1 ILE 27 -0.584 6.025 3.865 236 3HD1 ILE 27 3HD1 ILE 27 0.551 4.666 3.682 237 H LYS 28 H LYS 28 -1.573 7.377 6.873 238 HA LYS 28 HA LYS 28 -3.619 8.235 8.786 239 1HB LYS 28 1HB LYS 28 -2.833 10.501 8.344 240 2HB LYS 28 2HB LYS 28 -1.519 9.475 8.883 241 1HG LYS 28 1HG LYS 28 -1.734 9.325 5.981 242 2HG LYS 28 2HG LYS 28 -1.660 11.004 6.473 243 1HD LYS 28 1HD LYS 28 0.621 10.419 6.266 244 2HD LYS 28 2HD LYS 28 0.340 10.283 7.991 245 1HE LYS 28 1HE LYS 28 0.093 7.851 7.831 246 2HE LYS 28 2HE LYS 28 0.118 7.912 6.079 247 1HZ LYS 28 1HZ LYS 28 2.343 8.067 7.921 248 2HZ LYS 28 2HZ LYS 28 2.324 7.550 6.378 249 H ASP 29 H ASP 29 -5.137 6.902 7.364 250 HA ASP 29 HA ASP 29 -5.673 8.162 4.837 251 1HB ASP 29 1HB ASP 29 -6.141 5.966 4.432 252 2HB ASP 29 2HB ASP 29 -6.247 5.592 6.141 253 HD2 ASP 29 HD ASP 29 -9.631 5.627 6.251 254 HA PRO 30 HA PRO 30 -9.609 8.917 7.445 255 1HB PRO 30 1HB PRO 30 -9.596 8.329 10.114 256 2HB PRO 30 2HB PRO 30 -10.224 7.237 8.895 257 1HG PRO 30 1HG PRO 30 -7.678 7.079 10.389 258 2HG PRO 30 2HG PRO 30 -8.511 5.816 9.505 259 1HD PRO 30 1HD PRO 30 -6.193 7.272 8.644 260 2HD PRO 30 2HD PRO 30 -7.096 6.091 7.714 261 H ARG 31 H ARG 31 -6.539 9.848 8.026 262 HA ARG 31 HA ARG 31 -7.326 11.991 9.776 263 1HB ARG 31 1HB ARG 31 -5.200 11.048 10.350 264 2HB ARG 31 2HB ARG 31 -4.674 10.986 8.680 265 1HG ARG 31 1HG ARG 31 -5.334 13.735 9.464 266 2HG ARG 31 2HG ARG 31 -4.145 13.046 10.551 267 1HD ARG 31 1HD ARG 31 -2.678 12.458 8.657 268 2HD ARG 31 2HD ARG 31 -3.895 12.971 7.505 269 HE ARG 31 HE ARG 31 -2.093 14.701 9.016 270 1HH1 ARG 31 2HH2 ARG 31 -5.234 14.577 7.378 271 2HH1 ARG 31 1HH2 ARG 31 -5.295 16.286 7.100 272 1HH2 ARG 31 1HH ARG 31 -3.486 17.664 7.856 273 H LEU 32 H LEU 32 -6.372 11.326 6.396 274 HA LEU 32 HA LEU 32 -6.120 14.097 5.719 275 1HB LEU 32 1HB LEU 32 -5.905 11.477 4.324 276 2HB LEU 32 2HB LEU 32 -6.259 12.889 3.348 277 HG LEU 32 HG LEU 32 -4.189 13.910 4.663 278 1HD1 LEU 32 1HD1 LEU 32 -3.285 11.044 4.555 279 2HD1 LEU 32 2HD1 LEU 32 -2.576 12.429 5.421 280 3HD1 LEU 32 3HD1 LEU 32 -4.086 11.692 6.007 281 1HD2 LEU 32 1HD2 LEU 32 -4.643 13.012 2.120 282 2HD2 LEU 32 2HD2 LEU 32 -3.160 13.824 2.677 283 3HD2 LEU 32 3HD2 LEU 32 -3.226 12.046 2.602 284 H GLY 33 H GLY 33 -8.702 11.799 6.119 285 1HA GLY 33 1HA GLY 33 -10.939 12.341 6.142 286 2HA GLY 33 2HA GLY 33 -10.614 13.817 5.255 287 H MET 34 H MET 34 -9.054 10.927 4.028 288 HA MET 34 HA MET 34 -11.177 10.692 2.040 289 1HB MET 34 1HB MET 34 -8.140 10.810 1.712 290 2HB MET 34 2HB MET 34 -9.147 10.096 0.468 291 1HG MET 34 1HG MET 34 -9.031 12.316 -0.278 292 2HG MET 34 2HG MET 34 -10.523 12.357 0.642 293 1HE MET 34 1HE MET 34 -7.217 13.297 -0.018 294 2HE MET 34 2HE MET 34 -7.604 14.990 0.372 295 3HE MET 34 3HE MET 34 -6.481 14.074 1.404 296 H MET 35 H MET 35 -11.003 8.528 0.781 297 HA MET 35 HA MET 35 -10.230 6.486 2.717 298 1HB MET 35 1HB MET 35 -12.705 7.004 1.466 299 2HB MET 35 2HB MET 35 -12.054 5.689 0.510 300 1HG MET 35 1HG MET 35 -11.656 5.208 3.384 301 2HG MET 35 2HG MET 35 -13.348 5.470 3.015 302 1HE MET 35 1HE MET 35 -13.785 1.873 3.020 303 2HE MET 35 2HE MET 35 -12.247 2.195 3.854 304 3HE MET 35 3HE MET 35 -13.600 3.341 4.006 305 H THR 36 H THR 36 -8.008 6.474 1.882 306 HA THR 36 HA THR 36 -7.224 6.232 -0.714 307 HB THR 36 HB THR 36 -5.226 5.086 0.287 308 HG1 THR 36 HG1 THR 36 -6.437 3.717 1.759 309 1HG2 THR 36 1HG2 THR 36 -6.122 7.633 0.977 310 2HG2 THR 36 2HG2 THR 36 -5.926 6.858 2.567 311 3HG2 THR 36 3HG2 THR 36 -4.545 6.955 1.447 312 H THR 37 H THR 37 -6.236 4.191 -1.770 313 HA THR 37 HA THR 37 -7.818 1.807 -1.285 314 HB THR 37 HB THR 37 -8.084 3.620 -3.713 315 HG1 THR 37 HG1 THR 37 -9.759 3.698 -2.143 316 1HG2 THR 37 1HG2 THR 37 -9.280 1.714 -4.829 317 2HG2 THR 37 2HG2 THR 37 -7.541 1.378 -4.650 318 3HG2 THR 37 3HG2 THR 37 -8.713 0.625 -3.541 319 H VAL 38 H VAL 38 -7.061 -0.038 -2.681 320 HA VAL 38 HA VAL 38 -4.255 0.371 -3.437 321 HB VAL 38 HB VAL 38 -5.443 -1.885 -1.812 322 1HG1 VAL 38 1HG1 VAL 38 -3.875 -2.925 -3.242 323 2HG1 VAL 38 2HG1 VAL 38 -2.726 -1.571 -3.107 324 3HG1 VAL 38 3HG1 VAL 38 -3.002 -2.648 -1.717 325 1HG2 VAL 38 1HG2 VAL 38 -4.860 0.379 -0.711 326 2HG2 VAL 38 2HG2 VAL 38 -4.199 -1.104 0.017 327 3HG2 VAL 38 3HG2 VAL 38 -3.164 -0.076 -1.001 328 H SER 39 H SER 39 -5.102 0.616 -5.629 329 HA SER 39 HA SER 39 -6.440 -1.705 -6.682 330 1HB SER 39 1HB SER 39 -6.444 1.063 -7.286 331 2HB SER 39 2HB SER 39 -5.664 0.307 -8.661 332 HG SER 39 HG SER 39 -7.671 -1.294 -8.291 333 H GLY 40 H GLY 40 -3.706 -2.048 -5.693 334 1HA GLY 40 1HA GLY 40 -2.571 -3.470 -7.822 335 2HA GLY 40 2HA GLY 40 -1.777 -1.911 -7.733 336 H VAL 41 H VAL 41 -1.103 -4.907 -6.959 337 HA VAL 41 HA VAL 41 0.450 -4.149 -4.661 338 HB VAL 41 HB VAL 41 -1.590 -4.733 -3.551 339 1HG1 VAL 41 1HG1 VAL 41 -2.178 -7.367 -3.919 340 2HG1 VAL 41 2HG1 VAL 41 -2.992 -6.028 -4.762 341 3HG1 VAL 41 3HG1 VAL 41 -1.666 -6.906 -5.560 342 1HG2 VAL 41 1HG2 VAL 41 0.765 -6.538 -3.359 343 2HG2 VAL 41 2HG2 VAL 41 0.007 -5.500 -2.128 344 3HG2 VAL 41 3HG2 VAL 41 -0.717 -7.075 -2.530 345 H GLU 42 H GLU 42 2.406 -5.189 -4.726 346 HA GLU 42 HA GLU 42 2.519 -7.645 -6.258 347 1HB GLU 42 1HB GLU 42 4.505 -5.378 -6.695 348 2HB GLU 42 2HB GLU 42 4.433 -6.896 -7.566 349 1HG GLU 42 1HG GLU 42 2.055 -5.000 -7.539 350 2HG GLU 42 2HG GLU 42 3.373 -4.771 -8.673 351 HE2 GLU 42 HE GLU 42 2.062 -7.158 -10.772 352 H MET 43 H MET 43 3.732 -9.188 -5.218 353 HA MET 43 HA MET 43 5.675 -8.208 -3.285 354 1HB MET 43 1HB MET 43 3.941 -10.669 -2.784 355 2HB MET 43 2HB MET 43 4.865 -9.752 -1.610 356 1HG MET 43 1HG MET 43 3.039 -8.478 -1.169 357 2HG MET 43 2HG MET 43 3.032 -7.908 -2.826 358 1HE MET 43 1HE MET 43 1.758 -11.874 -1.485 359 2HE MET 43 2HE MET 43 2.364 -10.561 -0.448 360 3HE MET 43 3HE MET 43 0.612 -10.827 -0.615 361 H SER 44 H SER 44 7.624 -8.857 -4.109 362 HA SER 44 HA SER 44 7.684 -11.505 -5.317 363 1HB SER 44 1HB SER 44 8.729 -8.973 -6.156 364 2HB SER 44 2HB SER 44 10.108 -9.987 -5.780 365 HG SER 44 HG SER 44 9.246 -11.622 -7.213 366 H ARG 45 H ARG 45 8.349 -13.020 -3.830 367 HA ARG 45 HA ARG 45 10.293 -12.143 -1.870 368 1HB ARG 45 1HB ARG 45 8.323 -14.457 -2.008 369 2HB ARG 45 2HB ARG 45 9.670 -14.523 -0.887 370 1HG ARG 45 1HG ARG 45 8.395 -13.322 0.559 371 2HG ARG 45 2HG ARG 45 8.641 -11.941 -0.493 372 1HD ARG 45 1HD ARG 45 6.198 -12.473 0.019 373 2HD ARG 45 2HD ARG 45 6.579 -12.353 -1.688 374 HE ARG 45 HE ARG 45 6.199 -14.667 -1.934 375 1HH1 ARG 45 2HH2 ARG 45 6.315 -13.840 1.509 376 2HH1 ARG 45 1HH2 ARG 45 5.734 -15.387 2.029 377 1HH2 ARG 45 1HH ARG 45 5.223 -17.059 0.389 378 H ASP 46 H ASP 46 10.209 -13.534 -4.908 379 HA ASP 46 HA ASP 46 11.746 -15.792 -4.685 380 1HB ASP 46 1HB ASP 46 10.918 -13.912 -6.774 381 2HB ASP 46 2HB ASP 46 12.552 -14.470 -7.071 382 HD2 ASP 46 HD ASP 46 11.802 -16.225 -8.900 383 H LEU 47 H LEU 47 12.497 -12.453 -4.099 384 HA LEU 47 HA LEU 47 15.305 -13.132 -3.798 385 1HB LEU 47 1HB LEU 47 14.243 -11.436 -5.906 386 2HB LEU 47 2HB LEU 47 15.370 -10.569 -4.882 387 HG LEU 47 HG LEU 47 16.782 -12.850 -5.300 388 1HD1 LEU 47 1HD1 LEU 47 15.813 -14.093 -6.879 389 2HD1 LEU 47 2HD1 LEU 47 14.713 -12.782 -7.368 390 3HD1 LEU 47 3HD1 LEU 47 16.366 -12.847 -8.024 391 1HD2 LEU 47 1HD2 LEU 47 18.182 -11.242 -5.908 392 2HD2 LEU 47 2HD2 LEU 47 17.400 -11.199 -7.506 393 3HD2 LEU 47 3HD2 LEU 47 16.830 -10.124 -6.207 394 H ALA 48 H ALA 48 13.305 -10.102 -3.764 395 HA ALA 48 HA ALA 48 12.665 -9.883 -1.191 396 1HB ALA 48 1HB ALA 48 14.810 -8.430 -0.450 397 2HB ALA 48 2HB ALA 48 14.683 -10.177 -0.137 398 3HB ALA 48 3HB ALA 48 15.622 -9.588 -1.530 399 H TYR 49 H TYR 49 11.378 -8.895 -3.177 400 HA TYR 49 HA TYR 49 11.620 -6.051 -2.869 401 1HB TYR 49 1HB TYR 49 11.941 -5.684 -5.314 402 2HB TYR 49 2HB TYR 49 13.246 -6.702 -4.734 403 HD1 TYR 49 HD1 TYR 49 13.383 -9.062 -5.368 404 HD2 TYR 49 HD2 TYR 49 10.186 -6.587 -6.768 405 HE1 TYR 49 HE1 TYR 49 12.790 -10.806 -7.119 406 HE2 TYR 49 HE2 TYR 49 9.605 -8.340 -8.515 407 HH TYR 49 HH TYR 49 11.697 -10.948 -9.219 408 H ALA 50 H ALA 50 9.635 -5.049 -3.123 409 HA ALA 50 HA ALA 50 7.546 -6.544 -4.502 410 1HB ALA 50 1HB ALA 50 6.040 -5.942 -2.479 411 2HB ALA 50 2HB ALA 50 7.156 -7.316 -2.303 412 3HB ALA 50 3HB ALA 50 7.563 -5.743 -1.581 413 H LYS 51 H LYS 51 5.581 -5.117 -4.861 414 HA LYS 51 HA LYS 51 6.167 -2.280 -4.648 415 1HB LYS 51 1HB LYS 51 5.189 -2.826 -7.314 416 2HB LYS 51 2HB LYS 51 6.582 -1.895 -6.802 417 1HG LYS 51 1HG LYS 51 7.945 -3.945 -6.618 418 2HG LYS 51 2HG LYS 51 6.551 -4.944 -6.975 419 1HD LYS 51 1HD LYS 51 7.413 -4.830 -9.114 420 2HD LYS 51 2HD LYS 51 6.449 -3.369 -9.167 421 1HE LYS 51 1HE LYS 51 8.324 -1.953 -8.867 422 2HE LYS 51 2HE LYS 51 9.289 -3.215 -8.130 423 1HZ LYS 51 1HZ LYS 51 9.055 -2.570 -10.891 424 2HZ LYS 51 2HZ LYS 51 10.134 -3.555 -10.171 425 H VAL 52 H VAL 52 4.437 -1.618 -3.482 426 HA VAL 52 HA VAL 52 1.848 -2.813 -4.165 427 HB VAL 52 HB VAL 52 3.053 -1.656 -1.680 428 1HG1 VAL 52 1HG1 VAL 52 1.006 -0.374 -1.927 429 2HG1 VAL 52 2HG1 VAL 52 0.077 -1.859 -2.244 430 3HG1 VAL 52 3HG1 VAL 52 0.798 -1.587 -0.640 431 1HG2 VAL 52 1HG2 VAL 52 3.202 -4.038 -1.904 432 2HG2 VAL 52 2HG2 VAL 52 1.946 -3.688 -0.691 433 3HG2 VAL 52 3HG2 VAL 52 1.481 -4.163 -2.342 434 H TYR 53 H TYR 53 -0.002 -1.422 -4.455 435 HA TYR 53 HA TYR 53 0.796 1.290 -5.268 436 1HB TYR 53 1HB TYR 53 -0.526 -0.914 -6.547 437 2HB TYR 53 2HB TYR 53 -1.815 0.209 -6.167 438 HD1 TYR 53 HD1 TYR 53 -0.762 -0.662 -8.945 439 HD2 TYR 53 HD2 TYR 53 0.043 2.732 -6.468 440 HE1 TYR 53 HE1 TYR 53 -0.178 0.711 -11.004 441 HE2 TYR 53 HE2 TYR 53 0.624 4.094 -8.535 442 HH TYR 53 HH TYR 53 1.507 3.020 -11.208 443 H VAL 54 H VAL 54 -0.475 3.071 -4.638 444 HA VAL 54 HA VAL 54 -2.782 2.514 -2.957 445 HB VAL 54 HB VAL 54 -1.759 4.320 -1.373 446 1HG1 VAL 54 1HG1 VAL 54 -1.389 2.643 0.134 447 2HG1 VAL 54 2HG1 VAL 54 -2.195 1.688 -1.133 448 3HG1 VAL 54 3HG1 VAL 54 -0.421 1.678 -1.005 449 1HG2 VAL 54 1HG2 VAL 54 0.383 4.029 -3.150 450 2HG2 VAL 54 2HG2 VAL 54 0.405 4.846 -1.569 451 3HG2 VAL 54 3HG2 VAL 54 0.881 3.137 -1.693 452 H THR 55 H THR 55 -4.413 3.741 -3.735 453 HA THR 55 HA THR 55 -3.661 6.261 -5.064 454 HB THR 55 HB THR 55 -4.672 4.966 -6.743 455 HG1 THR 55 HG1 THR 55 -6.808 5.881 -6.834 456 1HG2 THR 55 1HG2 THR 55 -6.873 3.642 -6.103 457 2HG2 THR 55 2HG2 THR 55 -5.295 2.912 -5.719 458 3HG2 THR 55 3HG2 THR 55 -6.232 3.730 -4.444 459 H PHE 56 H PHE 56 -4.362 8.156 -4.272 460 HA PHE 56 HA PHE 56 -6.391 7.977 -2.156 461 1HB PHE 56 1HB PHE 56 -4.147 10.044 -2.527 462 2HB PHE 56 2HB PHE 56 -5.141 9.840 -1.099 463 HD1 PHE 56 HD1 PHE 56 -4.951 6.725 -1.168 464 HD2 PHE 56 HD2 PHE 56 -2.064 9.829 -1.354 465 HE1 PHE 56 HE1 PHE 56 -3.230 5.183 -0.191 466 HE2 PHE 56 HE2 PHE 56 -0.342 8.286 -0.378 467 HZ PHE 56 HZ PHE 56 -0.945 5.982 0.192 468 H LEU 57 H LEU 57 -7.481 10.228 -1.791 469 HA LEU 57 HA LEU 57 -8.140 11.264 -4.454 470 1HB LEU 57 1HB LEU 57 -9.887 10.121 -3.004 471 2HB LEU 57 2HB LEU 57 -9.778 11.505 -1.935 472 HG LEU 57 HG LEU 57 -10.362 12.959 -3.942 473 1HD1 LEU 57 1HD1 LEU 57 -11.615 10.608 -5.257 474 2HD1 LEU 57 2HD1 LEU 57 -10.956 12.109 -5.953 475 3HD1 LEU 57 3HD1 LEU 57 -9.857 10.799 -5.457 476 1HD2 LEU 57 1HD2 LEU 57 -12.747 12.568 -3.711 477 2HD2 LEU 57 2HD2 LEU 57 -12.443 10.953 -3.026 478 3HD2 LEU 57 3HD2 LEU 57 -11.940 12.408 -2.133 479 H ASN 58 H ASN 58 -5.785 11.947 -2.609 480 HA ASN 58 HA ASN 58 -6.267 14.389 -1.427 481 1HB ASN 58 1HB ASN 58 -3.923 12.776 -2.249 482 2HB ASN 58 2HB ASN 58 -3.597 14.496 -2.330 483 1HD2 ASN 58 1HD2 ASN 58 -5.116 15.524 -0.331 484 2HD2 ASN 58 2HD2 ASN 58 -4.585 14.961 1.219 485 H ASP 59 H ASP 59 -5.714 13.380 -4.786 486 HA ASP 59 HA ASP 59 -4.665 15.421 -6.047 487 1HB ASP 59 1HB ASP 59 -5.548 13.557 -7.294 488 2HB ASP 59 2HB ASP 59 -7.182 13.855 -6.733 489 HD2 ASP 59 HD ASP 59 -8.220 16.008 -8.170 490 H LYS 60 H LYS 60 -8.031 15.253 -4.728 491 HA LYS 60 HA LYS 60 -9.232 17.407 -5.744 492 1HB LYS 60 1HB LYS 60 -9.287 16.062 -3.097 493 2HB LYS 60 2HB LYS 60 -10.012 17.655 -3.161 494 1HG LYS 60 1HG LYS 60 -10.841 16.207 -5.520 495 2HG LYS 60 2HG LYS 60 -11.090 15.165 -4.135 496 1HD LYS 60 1HD LYS 60 -11.938 17.973 -3.670 497 2HD LYS 60 2HD LYS 60 -12.822 17.180 -4.959 498 1HE LYS 60 1HE LYS 60 -12.846 15.180 -3.084 499 2HE LYS 60 2HE LYS 60 -12.789 16.575 -2.026 500 1HZ LYS 60 1HZ LYS 60 -14.832 16.031 -4.106 501 2HZ LYS 60 2HZ LYS 60 -15.072 16.128 -2.498 502 H ASP 61 H ASP 61 -6.657 17.428 -3.227 503 HA ASP 61 HA ASP 61 -6.446 20.287 -3.748 504 1HB ASP 61 1HB ASP 61 -5.469 19.256 -1.119 505 2HB ASP 61 2HB ASP 61 -6.257 20.776 -1.492 506 HD2 ASP 61 HD ASP 61 -8.458 17.497 -0.873 507 H GLU 62 H GLU 62 -4.450 20.679 -4.714 508 HA GLU 62 HA GLU 62 -2.510 18.675 -4.842 509 1HB GLU 62 1HB GLU 62 -3.023 20.702 -6.439 510 2HB GLU 62 2HB GLU 62 -1.940 21.601 -5.395 511 1HG GLU 62 1HG GLU 62 -0.120 19.989 -5.813 512 2HG GLU 62 2HG GLU 62 -1.195 18.960 -6.738 513 HE2 GLU 62 HE GLU 62 0.727 22.013 -8.122 514 H ASP 63 H ASP 63 -3.265 21.079 -2.455 515 HA ASP 63 HA ASP 63 -0.642 21.436 -1.495 516 1HB ASP 63 1HB ASP 63 -3.157 22.580 -1.042 517 2HB ASP 63 2HB ASP 63 -2.842 21.745 0.465 518 HD2 ASP 63 HD ASP 63 -1.170 23.308 1.911 519 H ALA 64 H ALA 64 -3.492 19.362 -0.680 520 HA ALA 64 HA ALA 64 -2.143 18.137 1.543 521 1HB ALA 64 1HB ALA 64 -4.609 18.559 1.449 522 2HB ALA 64 2HB ALA 64 -4.727 17.379 0.122 523 3HB ALA 64 3HB ALA 64 -4.203 16.851 1.738 524 H VAL 65 H VAL 65 -2.322 17.741 -1.921 525 HA VAL 65 HA VAL 65 -1.768 14.939 -1.917 526 HB VAL 65 HB VAL 65 -2.729 16.757 -3.715 527 1HG1 VAL 65 1HG1 VAL 65 -0.408 17.611 -4.090 528 2HG1 VAL 65 2HG1 VAL 65 0.039 16.002 -4.705 529 3HG1 VAL 65 3HG1 VAL 65 -1.187 16.971 -5.556 530 1HG2 VAL 65 1HG2 VAL 65 -2.035 13.932 -3.655 531 2HG2 VAL 65 2HG2 VAL 65 -3.423 14.749 -4.411 532 3HG2 VAL 65 3HG2 VAL 65 -1.884 14.609 -5.294 533 H LYS 66 H LYS 66 0.118 17.998 -2.193 534 HA LYS 66 HA LYS 66 2.568 16.627 -2.654 535 1HB LYS 66 1HB LYS 66 1.887 19.026 -3.320 536 2HB LYS 66 2HB LYS 66 2.273 19.466 -1.668 537 1HG LYS 66 1HG LYS 66 4.529 18.111 -2.173 538 2HG LYS 66 2HG LYS 66 4.113 18.451 -3.841 539 1HD LYS 66 1HD LYS 66 3.699 20.921 -2.590 540 2HD LYS 66 2HD LYS 66 5.092 20.288 -1.738 541 1HE LYS 66 1HE LYS 66 5.159 19.968 -4.713 542 2HE LYS 66 2HE LYS 66 5.241 21.620 -4.133 543 1HZ LYS 66 1HZ LYS 66 7.286 19.694 -4.092 544 2HZ LYS 66 2HZ LYS 66 7.378 21.246 -3.609 545 H ALA 67 H ALA 67 1.186 18.422 0.191 546 HA ALA 67 HA ALA 67 3.255 17.689 1.925 547 1HB ALA 67 1HB ALA 67 0.403 18.653 2.267 548 2HB ALA 67 2HB ALA 67 1.433 18.278 3.670 549 3HB ALA 67 3HB ALA 67 1.921 19.547 2.521 550 H GLY 68 H GLY 68 -0.078 16.320 1.449 551 1HA GLY 68 1HA GLY 68 -0.015 14.303 3.299 552 2HA GLY 68 2HA GLY 68 -0.861 14.234 1.767 553 H ILE 69 H ILE 69 0.840 13.932 -0.224 554 HA ILE 69 HA ILE 69 1.786 11.356 -0.012 555 HB ILE 69 HB ILE 69 1.261 12.875 -2.044 556 1HG1 ILE 69 1HG1 ILE 69 3.619 11.012 -2.346 557 2HG1 ILE 69 2HG1 ILE 69 2.022 10.416 -1.936 558 1HG2 ILE 69 1HG2 ILE 69 3.334 13.701 -3.169 559 2HG2 ILE 69 2HG2 ILE 69 2.877 14.608 -1.707 560 3HG2 ILE 69 3HG2 ILE 69 4.210 13.431 -1.643 561 1HD1 ILE 69 1HD1 ILE 69 2.757 10.604 -4.476 562 2HD1 ILE 69 2HD1 ILE 69 1.098 11.037 -4.000 563 3HD1 ILE 69 3HD1 ILE 69 2.308 12.315 -4.271 564 H LYS 70 H LYS 70 3.286 14.447 0.870 565 HA LYS 70 HA LYS 70 5.930 13.458 0.986 566 1HB LYS 70 1HB LYS 70 4.522 15.941 1.469 567 2HB LYS 70 2HB LYS 70 5.662 15.634 2.763 568 1HG LYS 70 1HG LYS 70 6.728 16.879 0.891 569 2HG LYS 70 2HG LYS 70 7.494 15.323 1.141 570 1HD LYS 70 1HD LYS 70 6.945 14.616 -0.948 571 2HD LYS 70 2HD LYS 70 5.262 15.050 -0.725 572 1HE LYS 70 1HE LYS 70 5.892 16.483 -2.479 573 2HE LYS 70 2HE LYS 70 6.086 17.527 -1.085 574 1HZ LYS 70 1HZ LYS 70 8.031 17.435 -2.686 575 2HZ LYS 70 2HZ LYS 70 8.426 17.193 -1.124 576 H ALA 71 H ALA 71 3.140 13.491 3.208 577 HA ALA 71 HA ALA 71 4.720 12.671 5.454 578 1HB ALA 71 1HB ALA 71 1.758 12.290 5.391 579 2HB ALA 71 2HB ALA 71 2.792 13.019 6.645 580 3HB ALA 71 3HB ALA 71 2.357 13.954 5.194 581 H LEU 72 H LEU 72 2.468 11.143 3.075 582 HA LEU 72 HA LEU 72 2.674 8.580 4.268 583 1HB LEU 72 1HB LEU 72 1.012 9.795 2.472 584 2HB LEU 72 2HB LEU 72 1.951 8.752 1.422 585 HG LEU 72 HG LEU 72 0.745 7.595 3.915 586 1HD1 LEU 72 1HD1 LEU 72 -0.759 8.702 1.628 587 2HD1 LEU 72 2HD1 LEU 72 -1.179 7.033 2.082 588 3HD1 LEU 72 3HD1 LEU 72 -1.281 8.335 3.289 589 1HD2 LEU 72 1HD2 LEU 72 1.949 5.934 2.942 590 2HD2 LEU 72 2HD2 LEU 72 0.432 5.725 2.035 591 3HD2 LEU 72 3HD2 LEU 72 1.789 6.616 1.305 592 H GLN 73 H GLN 73 4.741 10.506 2.242 593 HA GLN 73 HA GLN 73 6.026 8.263 1.050 594 1HB GLN 73 1HB GLN 73 6.405 11.251 1.030 595 2HB GLN 73 2HB GLN 73 7.756 10.249 0.537 596 1HG GLN 73 1HG GLN 73 6.576 9.324 -1.303 597 2HG GLN 73 2HG GLN 73 5.008 9.712 -0.624 598 1HE2 GLN 73 1HE2 GLN 73 5.863 10.317 -3.235 599 2HE2 GLN 73 2HE2 GLN 73 5.899 12.037 -3.443 600 H GLU 74 H GLU 74 6.860 10.730 3.582 601 HA GLU 74 HA GLU 74 9.325 9.582 4.172 602 1HB GLU 74 1HB GLU 74 9.344 11.073 6.090 603 2HB GLU 74 2HB GLU 74 8.628 11.925 4.737 604 1HG GLU 74 1HG GLU 74 6.776 12.313 5.983 605 2HG GLU 74 2HG GLU 74 6.468 10.588 6.033 606 HE2 GLU 74 HE GLU 74 7.512 12.705 9.055 607 H ALA 75 H ALA 75 6.007 8.842 5.143 608 HA ALA 75 HA ALA 75 6.856 7.228 7.382 609 1HB ALA 75 1HB ALA 75 4.266 8.104 6.134 610 2HB ALA 75 2HB ALA 75 4.268 6.655 7.167 611 3HB ALA 75 3HB ALA 75 4.810 8.218 7.826 612 H SER 76 H SER 76 7.282 6.868 4.169 613 HA SER 76 HA SER 76 6.077 4.550 3.438 614 1HB SER 76 1HB SER 76 8.794 5.726 2.762 615 2HB SER 76 2HB SER 76 8.251 4.231 2.026 616 HG SER 76 HG SER 76 6.222 5.549 1.471 617 H GLY 77 H GLY 77 9.574 4.686 4.435 618 1HA GLY 77 1HA GLY 77 10.005 2.044 4.887 619 2HA GLY 77 2HA GLY 77 10.787 3.336 5.776 620 H PHE 78 H PHE 78 7.922 4.203 6.725 621 HA PHE 78 HA PHE 78 8.043 2.726 9.151 622 1HB PHE 78 1HB PHE 78 6.971 5.163 8.076 623 2HB PHE 78 2HB PHE 78 5.571 4.249 8.600 624 HD1 PHE 78 HD1 PHE 78 5.271 3.682 10.970 625 HD2 PHE 78 HD2 PHE 78 8.544 6.052 9.675 626 HE1 PHE 78 HE1 PHE 78 5.669 4.423 13.335 627 HE2 PHE 78 HE2 PHE 78 8.943 6.793 12.039 628 HZ PHE 78 HZ PHE 78 7.502 5.970 13.841 629 H ILE 79 H ILE 79 5.805 2.863 6.313 630 HA ILE 79 HA ILE 79 3.982 1.009 7.447 631 HB ILE 79 HB ILE 79 2.814 1.181 5.440 632 1HG1 ILE 79 1HG1 ILE 79 5.499 1.583 4.221 633 2HG1 ILE 79 2HG1 ILE 79 4.142 0.620 3.671 634 1HG2 ILE 79 1HG2 ILE 79 2.529 3.494 5.145 635 2HG2 ILE 79 2HG2 ILE 79 3.124 3.310 6.812 636 3HG2 ILE 79 3HG2 ILE 79 4.232 3.844 5.525 637 1HD1 ILE 79 1HD1 ILE 79 2.920 2.700 3.025 638 2HD1 ILE 79 2HD1 ILE 79 4.311 3.669 3.569 639 3HD1 ILE 79 3HD1 ILE 79 4.482 2.562 2.184 640 H ARG 80 H ARG 80 6.866 0.815 5.331 641 HA ARG 80 HA ARG 80 6.449 -1.851 4.629 642 1HB ARG 80 1HB ARG 80 7.966 -0.731 3.218 643 2HB ARG 80 2HB ARG 80 8.768 0.084 4.546 644 1HG ARG 80 1HG ARG 80 10.022 -1.855 5.150 645 2HG ARG 80 2HG ARG 80 8.949 -2.936 4.281 646 1HD ARG 80 1HD ARG 80 10.531 -2.844 2.627 647 2HD ARG 80 2HD ARG 80 9.795 -1.307 2.221 648 HE ARG 80 HE ARG 80 11.862 -1.155 4.315 649 1HH1 ARG 80 2HH2 ARG 80 11.179 -0.934 0.846 650 2HH1 ARG 80 1HH2 ARG 80 12.605 -0.015 0.497 651 1HH2 ARG 80 1HH ARG 80 14.098 0.559 2.282 652 H SER 81 H SER 81 8.399 -0.207 7.200 653 HA SER 81 HA SER 81 9.441 -2.635 8.178 654 1HB SER 81 1HB SER 81 9.254 0.098 9.522 655 2HB SER 81 2HB SER 81 10.262 -1.229 10.063 656 HG SER 81 HG SER 81 11.219 -1.113 7.790 657 H LEU 82 H LEU 82 6.607 -0.566 8.872 658 HA LEU 82 HA LEU 82 5.934 -1.754 11.330 659 1HB LEU 82 1HB LEU 82 5.130 0.420 10.706 660 2HB LEU 82 2HB LEU 82 4.328 -0.221 9.286 661 HG LEU 82 HG LEU 82 3.474 -1.411 11.863 662 1HD1 LEU 82 1HD1 LEU 82 3.437 0.619 12.881 663 2HD1 LEU 82 2HD1 LEU 82 3.337 1.518 11.349 664 3HD1 LEU 82 3HD1 LEU 82 1.887 0.727 12.012 665 1HD2 LEU 82 1HD2 LEU 82 1.235 -0.591 10.546 666 2HD2 LEU 82 2HD2 LEU 82 2.374 -0.810 9.194 667 3HD2 LEU 82 3HD2 LEU 82 2.041 -2.160 10.306 668 H LEU 83 H LEU 83 5.350 -2.600 7.915 669 HA LEU 83 HA LEU 83 3.353 -4.528 8.483 670 1HB LEU 83 1HB LEU 83 4.930 -3.618 6.149 671 2HB LEU 83 2HB LEU 83 4.349 -5.271 6.083 672 HG LEU 83 HG LEU 83 2.047 -4.533 6.345 673 1HD1 LEU 83 1HD1 LEU 83 1.380 -2.516 7.058 674 2HD1 LEU 83 2HD1 LEU 83 3.057 -2.342 7.629 675 3HD1 LEU 83 3HD1 LEU 83 2.575 -1.653 6.060 676 1HD2 LEU 83 1HD2 LEU 83 2.997 -4.635 4.087 677 2HD2 LEU 83 2HD2 LEU 83 1.759 -3.364 4.223 678 3HD2 LEU 83 3HD2 LEU 83 3.484 -2.928 4.211 679 H GLY 84 H GLY 84 6.827 -4.884 7.456 680 1HA GLY 84 1HA GLY 84 7.150 -7.553 7.712 681 2HA GLY 84 2HA GLY 84 8.383 -6.379 8.131 682 H LYS 85 H LYS 85 7.319 -5.120 10.407 683 HA LYS 85 HA LYS 85 7.812 -7.134 12.354 684 1HB LYS 85 1HB LYS 85 7.433 -4.185 12.297 685 2HB LYS 85 2HB LYS 85 7.042 -4.989 13.805 686 1HG LYS 85 1HG LYS 85 9.262 -5.965 13.966 687 2HG LYS 85 2HG LYS 85 9.660 -5.495 12.325 688 1HD LYS 85 1HD LYS 85 10.739 -3.860 13.679 689 2HD LYS 85 2HD LYS 85 9.303 -3.048 13.087 690 1HE LYS 85 1HE LYS 85 8.387 -2.875 15.178 691 2HE LYS 85 2HE LYS 85 8.810 -4.521 15.603 692 1HZ LYS 85 1HZ LYS 85 11.190 -3.046 15.448 693 2HZ LYS 85 2HZ LYS 85 10.154 -2.171 16.348 694 H ALA 86 H ALA 86 4.938 -5.334 11.151 695 HA ALA 86 HA ALA 86 3.154 -6.233 13.094 696 1HB ALA 86 1HB ALA 86 2.849 -5.332 10.210 697 2HB ALA 86 2HB ALA 86 1.456 -5.717 11.249 698 3HB ALA 86 3HB ALA 86 2.559 -4.393 11.694 699 H MET 87 H MET 87 4.477 -7.737 10.140 700 HA MET 87 HA MET 87 2.778 -10.041 10.697 701 1HB MET 87 1HB MET 87 2.994 -10.599 8.340 702 2HB MET 87 2HB MET 87 2.676 -8.875 8.395 703 1HG MET 87 1HG MET 87 5.085 -8.377 8.134 704 2HG MET 87 2HG MET 87 5.479 -10.083 8.217 705 1HE MET 87 1HE MET 87 3.292 -7.467 6.487 706 2HE MET 87 2HE MET 87 2.955 -8.157 4.880 707 3HE MET 87 3HE MET 87 2.170 -8.840 6.324 708 H ARG 88 H ARG 88 5.599 -9.017 11.741 709 HA ARG 88 HA ARG 88 7.700 -9.811 11.806 710 1HB ARG 88 1HB ARG 88 5.718 -11.425 13.293 711 2HB ARG 88 2HB ARG 88 7.214 -12.300 13.033 712 1HG ARG 88 1HG ARG 88 8.383 -10.079 13.846 713 2HG ARG 88 2HG ARG 88 6.803 -9.661 14.481 714 1HD ARG 88 1HD ARG 88 8.119 -12.338 15.112 715 2HD ARG 88 2HD ARG 88 8.438 -10.908 16.074 716 HE ARG 88 HE ARG 88 5.610 -11.164 15.820 717 1HH1 ARG 88 2HH2 ARG 88 8.318 -12.861 17.351 718 2HH1 ARG 88 1HH2 ARG 88 7.346 -13.518 18.625 719 1HH2 ARG 88 1HH ARG 88 5.005 -13.016 18.695 720 H LEU 89 H LEU 89 8.406 -10.218 9.619 721 HA LEU 89 HA LEU 89 8.295 -13.059 8.891 722 1HB LEU 89 1HB LEU 89 6.929 -11.141 7.562 723 2HB LEU 89 2HB LEU 89 8.460 -11.064 6.715 724 HG LEU 89 HG LEU 89 8.306 -13.315 5.984 725 1HD1 LEU 89 1HD1 LEU 89 5.989 -14.493 6.801 726 2HD1 LEU 89 2HD1 LEU 89 7.589 -14.775 7.530 727 3HD1 LEU 89 3HD1 LEU 89 6.467 -13.606 8.268 728 1HD2 LEU 89 1HD2 LEU 89 5.869 -11.630 5.675 729 2HD2 LEU 89 2HD2 LEU 89 7.029 -12.215 4.459 730 3HD2 LEU 89 3HD2 LEU 89 5.787 -13.314 5.105 731 H ARG 90 H ARG 90 10.007 -12.446 6.507 732 HA ARG 90 HA ARG 90 12.392 -11.471 7.792 733 1HB ARG 90 1HB ARG 90 13.648 -13.525 6.795 734 2HB ARG 90 2HB ARG 90 12.718 -13.785 8.259 735 1HG ARG 90 1HG ARG 90 11.678 -15.471 7.138 736 2HG ARG 90 2HG ARG 90 10.812 -14.218 6.268 737 1HD ARG 90 1HD ARG 90 12.801 -14.169 4.617 738 2HD ARG 90 2HD ARG 90 13.381 -15.622 5.404 739 HE ARG 90 HE ARG 90 11.175 -15.451 3.539 740 1HH1 ARG 90 2HH2 ARG 90 12.276 -17.224 6.403 741 2HH1 ARG 90 1HH2 ARG 90 11.352 -18.641 6.034 742 1HH2 ARG 90 1HH ARG 90 9.994 -18.677 4.060 743 H ILE 91 H ILE 91 10.788 -12.844 4.856 744 HA ILE 91 HA ILE 91 12.493 -12.305 2.884 745 HB ILE 91 HB ILE 91 10.375 -11.572 1.581 746 1HG1 ILE 91 1HG1 ILE 91 8.703 -12.831 3.634 747 2HG1 ILE 91 2HG1 ILE 91 9.349 -11.282 4.139 748 1HG2 ILE 91 1HG2 ILE 91 9.779 -14.234 2.607 749 2HG2 ILE 91 2HG2 ILE 91 10.298 -13.717 0.985 750 3HG2 ILE 91 3HG2 ILE 91 11.510 -14.013 2.254 751 1HD1 ILE 91 1HD1 ILE 91 7.118 -11.644 2.518 752 2HD1 ILE 91 2HD1 ILE 91 8.039 -10.129 2.676 753 3HD1 ILE 91 3HD1 ILE 91 8.396 -11.254 1.343 754 H VAL 92 H VAL 92 10.679 -9.892 4.809 755 HA VAL 92 HA VAL 92 10.541 -7.633 4.417 756 HB VAL 92 HB VAL 92 13.454 -8.148 5.041 757 1HG1 VAL 92 1HG1 VAL 92 11.748 -5.719 5.048 758 2HG1 VAL 92 2HG1 VAL 92 12.790 -5.948 6.473 759 3HG1 VAL 92 3HG1 VAL 92 13.508 -5.890 4.846 760 1HG2 VAL 92 1HG2 VAL 92 12.067 -7.583 7.409 761 2HG2 VAL 92 2HG2 VAL 92 11.028 -8.733 6.532 762 3HG2 VAL 92 3HG2 VAL 92 12.720 -9.157 6.895 763 HA PRO 93 HA PRO 93 12.343 -7.589 0.216 764 1HB PRO 93 1HB PRO 93 10.037 -7.591 -1.249 765 2HB PRO 93 2HB PRO 93 10.962 -9.042 -0.914 766 1HG PRO 93 1HG PRO 93 8.413 -8.149 0.288 767 2HG PRO 93 2HG PRO 93 9.123 -9.750 0.284 768 1HD PRO 93 1HD PRO 93 9.084 -7.895 2.472 769 2HD PRO 93 2HD PRO 93 9.893 -9.449 2.429 770 H GLU 94 H GLU 94 12.529 -5.855 -1.304 771 HA GLU 94 HA GLU 94 12.032 -3.433 -0.007 772 1HB GLU 94 1HB GLU 94 13.738 -4.220 -1.958 773 2HB GLU 94 2HB GLU 94 12.517 -3.472 -2.968 774 1HG GLU 94 1HG GLU 94 12.698 -1.359 -1.706 775 2HG GLU 94 2HG GLU 94 13.804 -2.096 -0.564 776 HE2 GLU 94 HE GLU 94 16.242 -2.767 -2.450 777 H LEU 95 H LEU 95 9.609 -4.019 0.337 778 HA LEU 95 HA LEU 95 7.889 -3.840 -1.903 779 1HB LEU 95 1HB LEU 95 7.555 -4.908 0.437 780 2HB LEU 95 2HB LEU 95 7.086 -3.294 0.937 781 HG LEU 95 HG LEU 95 5.679 -4.023 -1.483 782 1HD1 LEU 95 1HD1 LEU 95 4.665 -6.005 -1.026 783 2HD1 LEU 95 2HD1 LEU 95 6.222 -6.310 -0.222 784 3HD1 LEU 95 3HD1 LEU 95 4.809 -5.809 0.736 785 1HD2 LEU 95 1HD2 LEU 95 5.262 -2.500 0.795 786 2HD2 LEU 95 2HD2 LEU 95 4.086 -2.816 -0.502 787 3HD2 LEU 95 3HD2 LEU 95 4.096 -3.835 0.957 788 H THR 96 H THR 96 8.444 -1.981 -3.108 789 HA THR 96 HA THR 96 8.668 0.571 -1.888 790 HB THR 96 HB THR 96 9.584 -0.388 -4.168 791 HG1 THR 96 HG1 THR 96 9.956 1.799 -3.766 792 1HG2 THR 96 1HG2 THR 96 6.770 0.572 -4.889 793 2HG2 THR 96 2HG2 THR 96 8.099 0.490 -6.069 794 3HG2 THR 96 3HG2 THR 96 7.505 -0.997 -5.293 795 H PHE 97 H PHE 97 7.235 2.461 -2.551 796 HA PHE 97 HA PHE 97 4.438 1.575 -2.426 797 1HB PHE 97 1HB PHE 97 5.900 2.827 -0.441 798 2HB PHE 97 2HB PHE 97 5.361 4.238 -1.330 799 HD1 PHE 97 HD1 PHE 97 4.052 1.137 0.262 800 HD2 PHE 97 HD2 PHE 97 3.265 5.143 -0.896 801 HE1 PHE 97 HE1 PHE 97 1.845 1.049 1.456 802 HE2 PHE 97 HE2 PHE 97 1.059 5.055 0.299 803 HZ PHE 97 HZ PHE 97 0.376 3.008 1.460 804 H PHE 98 H PHE 98 3.433 2.074 -4.315 805 HA PHE 98 HA PHE 98 4.418 4.388 -5.791 806 1HB PHE 98 1HB PHE 98 3.321 1.723 -6.329 807 2HB PHE 98 2HB PHE 98 2.288 2.912 -7.095 808 HD1 PHE 98 HD1 PHE 98 3.003 4.102 -9.032 809 HD2 PHE 98 HD2 PHE 98 5.730 1.598 -6.958 810 HE1 PHE 98 HE1 PHE 98 4.614 4.269 -10.949 811 HE2 PHE 98 HE2 PHE 98 7.341 1.765 -8.875 812 HZ PHE 98 HZ PHE 98 6.764 3.097 -10.848 813 H TYR 99 H TYR 99 3.407 6.297 -5.382 814 HA TYR 99 HA TYR 99 0.704 6.263 -4.350 815 1HB TYR 99 1HB TYR 99 2.279 8.722 -5.202 816 2HB TYR 99 2HB TYR 99 1.288 8.517 -3.771 817 HD1 TYR 99 HD1 TYR 99 4.625 8.123 -5.205 818 HD2 TYR 99 HD2 TYR 99 2.190 7.351 -1.773 819 HE1 TYR 99 HE1 TYR 99 6.708 7.682 -3.817 820 HE2 TYR 99 HE2 TYR 99 4.282 6.913 -0.396 821 HH TYR 99 HH TYR 99 6.438 6.891 -0.362 822 H ASP 100 H ASP 100 -0.877 5.899 -5.862 823 HA ASP 100 HA ASP 100 -0.593 7.379 -8.353 824 1HB ASP 100 1HB ASP 100 -1.176 4.671 -7.874 825 2HB ASP 100 2HB ASP 100 -2.750 5.364 -8.214 826 HD2 ASP 100 HD ASP 100 0.366 6.090 -9.783 827 H ASN 101 H ASN 101 -1.511 9.371 -7.441 828 HA ASN 101 HA ASN 101 -4.145 9.135 -6.295 829 1HB ASN 101 1HB ASN 101 -3.835 11.684 -6.006 830 2HB ASN 101 2HB ASN 101 -2.715 10.676 -5.112 831 1HD2 ASN 101 1HD2 ASN 101 -0.682 11.216 -5.218 832 2HD2 ASN 101 2HD2 ASN 101 0.119 12.070 -6.495 833 H SER 102 H SER 102 -5.382 11.509 -7.101 834 HA SER 102 HA SER 102 -5.833 10.940 -9.887 835 1HB SER 102 1HB SER 102 -7.504 13.077 -8.957 836 2HB SER 102 2HB SER 102 -7.967 11.432 -9.349 837 HG SER 102 HG SER 102 -8.499 11.979 -7.145 838 H LEU 103 H LEU 103 -3.425 12.487 -8.601 839 HA LEU 103 HA LEU 103 -3.795 15.025 -10.015 840 1HB LEU 103 1HB LEU 103 -3.130 14.882 -7.549 841 2HB LEU 103 2HB LEU 103 -1.571 14.314 -8.115 842 HG LEU 103 HG LEU 103 -2.003 16.617 -9.619 843 1HD1 LEU 103 1HD1 LEU 103 -3.930 17.181 -8.193 844 2HD1 LEU 103 2HD1 LEU 103 -2.868 17.156 -6.766 845 3HD1 LEU 103 3HD1 LEU 103 -2.606 18.363 -8.046 846 1HD2 LEU 103 1HD2 LEU 103 -0.385 16.061 -7.131 847 2HD2 LEU 103 2HD2 LEU 103 0.147 16.070 -8.829 848 3HD2 LEU 103 3HD2 LEU 103 -0.282 17.598 -8.023 849 H VAL 104 H VAL 104 -2.951 11.988 -10.790 850 HA VAL 104 HA VAL 104 -0.896 12.942 -12.648 851 HB VAL 104 HB VAL 104 -0.775 10.700 -10.695 852 1HG1 VAL 104 1HG1 VAL 104 -0.731 9.390 -12.686 853 2HG1 VAL 104 2HG1 VAL 104 0.336 10.553 -13.511 854 3HG1 VAL 104 3HG1 VAL 104 0.960 9.574 -12.160 855 1HG2 VAL 104 1HG2 VAL 104 1.677 11.321 -10.816 856 2HG2 VAL 104 2HG2 VAL 104 1.204 12.657 -11.893 857 3HG2 VAL 104 3HG2 VAL 104 0.587 12.598 -10.224 858 H GLU 105 H GLU 105 -3.989 11.982 -12.291 859 HA GLU 105 HA GLU 105 -4.054 10.989 -14.962 860 1HB GLU 105 1HB GLU 105 -5.153 9.243 -12.715 861 2HB GLU 105 2HB GLU 105 -5.289 8.912 -14.431 862 1HG GLU 105 1HG GLU 105 -2.743 8.908 -14.561 863 2HG GLU 105 2HG GLU 105 -2.701 9.056 -12.815 864 HE2 GLU 105 HE GLU 105 -2.360 5.644 -13.306 865 H GLY 106 H GLY 106 -5.687 11.843 -11.887 866 1HA GLY 106 1HA GLY 106 -7.425 13.310 -11.637 867 2HA GLY 106 2HA GLY 106 -7.690 13.325 -13.369 868 H MET 107 H MET 107 -7.373 10.090 -12.685 869 HA MET 107 HA MET 107 -10.209 9.846 -12.044 870 1HB MET 107 1HB MET 107 -8.550 8.124 -13.968 871 2HB MET 107 2HB MET 107 -10.250 7.887 -13.620 872 1HG MET 107 1HG MET 107 -10.901 9.586 -15.018 873 2HG MET 107 2HG MET 107 -9.633 10.659 -14.461 874 1HE MET 107 1HE MET 107 -6.610 9.974 -16.227 875 2HE MET 107 2HE MET 107 -7.267 9.731 -14.591 876 3HE MET 107 3HE MET 107 -6.830 8.326 -15.593 877 H ARG 108 H ARG 108 -7.717 9.738 -10.335 878 HA ARG 108 HA ARG 108 -7.938 6.945 -9.546 879 1HB ARG 108 1HB ARG 108 -5.643 8.743 -9.861 880 2HB ARG 108 2HB ARG 108 -5.698 8.108 -8.228 881 1HG ARG 108 1HG ARG 108 -4.748 6.211 -9.037 882 2HG ARG 108 2HG ARG 108 -6.281 5.861 -9.811 883 1HD ARG 108 1HD ARG 108 -5.472 7.326 -11.782 884 2HD ARG 108 2HD ARG 108 -3.890 7.319 -11.026 885 HE ARG 108 HE ARG 108 -3.589 5.143 -11.804 886 1HH1 ARG 108 2HH2 ARG 108 -7.070 5.781 -11.636 887 2HH1 ARG 108 1HH2 ARG 108 -7.510 4.258 -12.334 888 1HH2 ARG 108 1HH ARG 108 -5.787 2.718 -12.968 Start of MODEL 6 1 H MET 1 H MET 1 -8.459 -7.276 -2.232 2 HA MET 1 HA MET 1 -11.069 -7.931 -2.501 3 1HB MET 1 1HB MET 1 -11.204 -9.053 -4.706 4 2HB MET 1 2HB MET 1 -10.758 -7.376 -4.946 5 1HG MET 1 1HG MET 1 -8.310 -8.830 -4.570 6 2HG MET 1 2HG MET 1 -9.283 -9.765 -5.689 7 1HE MET 1 1HE MET 1 -7.249 -9.422 -6.920 8 2HE MET 1 2HE MET 1 -7.350 -8.362 -8.345 9 3HE MET 1 3HE MET 1 -6.412 -7.852 -6.921 10 H ALA 2 H ALA 2 -11.332 -10.481 -2.856 11 HA ALA 2 HA ALA 2 -8.934 -11.736 -1.704 12 1HB ALA 2 1HB ALA 2 -10.494 -11.668 0.059 13 2HB ALA 2 2HB ALA 2 -11.873 -11.979 -1.024 14 3HB ALA 2 3HB ALA 2 -10.730 -13.289 -0.640 15 H LYS 3 H LYS 3 -8.421 -13.857 -2.440 16 HA LYS 3 HA LYS 3 -10.108 -14.943 -4.541 17 1HB LYS 3 1HB LYS 3 -8.288 -13.310 -5.464 18 2HB LYS 3 2HB LYS 3 -7.171 -14.612 -5.106 19 1HG LYS 3 1HG LYS 3 -7.866 -14.949 -7.384 20 2HG LYS 3 2HG LYS 3 -8.696 -16.174 -6.443 21 1HD LYS 3 1HD LYS 3 -10.411 -13.907 -6.385 22 2HD LYS 3 2HD LYS 3 -9.824 -13.993 -8.034 23 1HE LYS 3 1HE LYS 3 -10.402 -16.557 -7.869 24 2HE LYS 3 2HE LYS 3 -11.357 -16.100 -6.474 25 1HZ LYS 3 1HZ LYS 3 -11.725 -14.561 -8.949 26 2HZ LYS 3 2HZ LYS 3 -12.396 -16.043 -8.867 27 H GLU 4 H GLU 4 -10.608 -16.593 -3.018 28 HA GLU 4 HA GLU 4 -8.517 -17.976 -1.724 29 1HB GLU 4 1HB GLU 4 -10.334 -19.530 -1.012 30 2HB GLU 4 2HB GLU 4 -10.740 -17.852 -0.717 31 1HG GLU 4 1HG GLU 4 -11.728 -18.174 -3.274 32 2HG GLU 4 2HG GLU 4 -11.958 -19.788 -2.630 33 HE2 GLU 4 HE GLU 4 -14.560 -17.370 -2.309 34 H PHE 5 H PHE 5 -7.059 -18.668 -3.392 35 HA PHE 5 HA PHE 5 -8.020 -21.045 -4.768 36 1HB PHE 5 1HB PHE 5 -8.181 -18.980 -6.280 37 2HB PHE 5 2HB PHE 5 -6.469 -18.702 -6.025 38 HD1 PHE 5 HD1 PHE 5 -6.437 -18.750 -8.569 39 HD2 PHE 5 HD2 PHE 5 -7.315 -22.172 -6.219 40 HE1 PHE 5 HE1 PHE 5 -5.905 -20.229 -10.525 41 HE2 PHE 5 HE2 PHE 5 -6.784 -23.652 -8.176 42 HZ PHE 5 HZ PHE 5 -6.085 -22.662 -10.306 43 H GLY 6 H GLY 6 -6.585 -22.695 -4.509 44 1HA GLY 6 1HA GLY 6 -4.440 -22.750 -2.928 45 2HA GLY 6 2HA GLY 6 -4.574 -23.746 -4.363 46 H ARG 7 H ARG 7 -4.576 -21.285 -6.172 47 HA ARG 7 HA ARG 7 -1.911 -21.299 -6.760 48 1HB ARG 7 1HB ARG 7 -4.311 -19.982 -7.704 49 2HB ARG 7 2HB ARG 7 -3.037 -18.782 -7.622 50 1HG ARG 7 1HG ARG 7 -1.629 -20.811 -8.769 51 2HG ARG 7 2HG ARG 7 -3.231 -21.238 -9.341 52 1HD ARG 7 1HD ARG 7 -3.090 -18.445 -9.741 53 2HD ARG 7 2HD ARG 7 -1.490 -19.015 -10.173 54 HE ARG 7 HE ARG 7 -3.401 -20.777 -11.357 55 1HH1 ARG 7 2HH2 ARG 7 -2.277 -17.432 -11.672 56 2HH1 ARG 7 1HH2 ARG 7 -2.686 -17.321 -13.351 57 1HH2 ARG 7 1HH ARG 7 -3.665 -19.215 -14.448 58 HA PRO 8 HA PRO 8 -0.158 -18.057 -4.397 59 1HB PRO 8 1HB PRO 8 1.139 -16.380 -6.121 60 2HB PRO 8 2HB PRO 8 1.783 -17.934 -5.629 61 1HG PRO 8 1HG PRO 8 0.547 -17.170 -8.204 62 2HG PRO 8 2HG PRO 8 1.559 -18.552 -7.840 63 1HD PRO 8 1HD PRO 8 -1.289 -18.554 -8.177 64 2HD PRO 8 2HD PRO 8 -0.289 -19.912 -7.701 65 H GLN 9 H GLN 9 -2.819 -17.453 -6.060 66 HA GLN 9 HA GLN 9 -2.852 -14.630 -5.772 67 1HB GLN 9 1HB GLN 9 -4.268 -16.456 -7.290 68 2HB GLN 9 2HB GLN 9 -5.449 -16.043 -6.064 69 1HG GLN 9 1HG GLN 9 -5.852 -14.374 -7.659 70 2HG GLN 9 2HG GLN 9 -4.751 -13.547 -6.574 71 1HE2 GLN 9 1HE2 GLN 9 -4.298 -12.182 -8.381 72 2HE2 GLN 9 2HE2 GLN 9 -3.142 -12.647 -9.585 73 H ARG 10 H ARG 10 -4.075 -17.481 -3.962 74 HA ARG 10 HA ARG 10 -5.736 -16.149 -2.246 75 1HB ARG 10 1HB ARG 10 -5.358 -18.696 -2.546 76 2HB ARG 10 2HB ARG 10 -3.987 -18.528 -1.466 77 1HG ARG 10 1HG ARG 10 -6.626 -17.374 -0.571 78 2HG ARG 10 2HG ARG 10 -6.449 -19.117 -0.548 79 1HD ARG 10 1HD ARG 10 -4.244 -17.436 0.659 80 2HD ARG 10 2HD ARG 10 -5.733 -17.628 1.563 81 HE ARG 10 HE ARG 10 -5.184 -20.220 0.876 82 1HH1 ARG 10 2HH2 ARG 10 -3.152 -17.692 2.306 83 2HH1 ARG 10 1HH2 ARG 10 -2.151 -18.812 3.167 84 1HH2 ARG 10 1HH ARG 10 -2.587 -21.162 2.980 85 H VAL 11 H VAL 11 -2.226 -17.024 -1.871 86 HA VAL 11 HA VAL 11 -1.938 -15.803 0.639 87 HB VAL 11 HB VAL 11 -0.474 -17.460 -0.945 88 1HG1 VAL 11 1HG1 VAL 11 0.949 -14.776 -0.963 89 2HG1 VAL 11 2HG1 VAL 11 1.670 -16.334 -1.431 90 3HG1 VAL 11 3HG1 VAL 11 0.326 -15.655 -2.380 91 1HG2 VAL 11 1HG2 VAL 11 0.479 -15.806 1.417 92 2HG2 VAL 11 2HG2 VAL 11 -0.354 -17.379 1.476 93 3HG2 VAL 11 3HG2 VAL 11 1.289 -17.267 0.799 94 H ALA 12 H ALA 12 -1.576 -14.649 -2.746 95 HA ALA 12 HA ALA 12 -0.375 -12.206 -2.143 96 1HB ALA 12 1HB ALA 12 -2.208 -13.064 -4.417 97 2HB ALA 12 2HB ALA 12 -1.256 -11.561 -4.398 98 3HB ALA 12 3HB ALA 12 -0.431 -13.138 -4.391 99 H GLN 13 H GLN 13 -3.806 -13.285 -2.214 100 HA GLN 13 HA GLN 13 -4.818 -10.685 -1.867 101 1HB GLN 13 1HB GLN 13 -6.069 -13.419 -1.353 102 2HB GLN 13 2HB GLN 13 -6.959 -11.910 -1.315 103 1HG GLN 13 1HG GLN 13 -6.210 -13.507 -3.615 104 2HG GLN 13 2HG GLN 13 -7.260 -12.106 -3.553 105 1HE2 GLN 13 1HE2 GLN 13 -6.241 -9.972 -3.497 106 2HE2 GLN 13 2HE2 GLN 13 -4.784 -9.699 -4.392 107 H GLU 14 H GLU 14 -4.784 -13.531 0.412 108 HA GLU 14 HA GLU 14 -5.619 -12.379 2.631 109 1HB GLU 14 1HB GLU 14 -3.398 -14.391 2.192 110 2HB GLU 14 2HB GLU 14 -3.811 -13.886 3.818 111 1HG GLU 14 1HG GLU 14 -6.132 -14.622 2.081 112 2HG GLU 14 2HG GLU 14 -5.053 -15.943 2.486 113 HE2 GLU 14 HE GLU 14 -4.881 -15.166 5.689 114 H MET 15 H MET 15 -2.287 -12.070 1.276 115 HA MET 15 HA MET 15 -1.378 -10.524 3.451 116 1HB MET 15 1HB MET 15 -0.393 -11.499 0.807 117 2HB MET 15 2HB MET 15 0.299 -9.958 1.277 118 1HG MET 15 1HG MET 15 0.748 -11.102 3.600 119 2HG MET 15 2HG MET 15 0.450 -12.610 2.760 120 1HE MET 15 1HE MET 15 3.771 -12.152 3.843 121 2HE MET 15 2HE MET 15 4.152 -10.516 3.258 122 3HE MET 15 3HE MET 15 2.679 -10.797 4.216 123 H GLN 16 H GLN 16 -2.730 -9.818 0.194 124 HA GLN 16 HA GLN 16 -2.123 -7.118 0.185 125 1HB GLN 16 1HB GLN 16 -2.886 -8.514 -1.780 126 2HB GLN 16 2HB GLN 16 -4.512 -8.490 -1.124 127 1HG GLN 16 1HG GLN 16 -3.430 -5.777 -1.206 128 2HG GLN 16 2HG GLN 16 -3.286 -6.524 -2.784 129 1HE2 GLN 16 1HE2 GLN 16 -4.831 -5.057 -3.566 130 2HE2 GLN 16 2HE2 GLN 16 -6.528 -5.272 -3.299 131 H LYS 17 H LYS 17 -4.739 -8.991 1.713 132 HA LYS 17 HA LYS 17 -6.323 -6.682 2.291 133 1HB LYS 17 1HB LYS 17 -7.374 -8.844 1.953 134 2HB LYS 17 2HB LYS 17 -6.448 -9.551 3.260 135 1HG LYS 17 1HG LYS 17 -7.558 -7.441 4.595 136 2HG LYS 17 2HG LYS 17 -8.796 -7.690 3.381 137 1HD LYS 17 1HD LYS 17 -9.607 -9.305 4.770 138 2HD LYS 17 2HD LYS 17 -8.284 -10.296 4.186 139 1HE LYS 17 1HE LYS 17 -7.382 -10.338 6.266 140 2HE LYS 17 2HE LYS 17 -7.199 -8.595 6.231 141 1HZ LYS 17 1HZ LYS 17 -8.611 -9.073 8.054 142 2HZ LYS 17 2HZ LYS 17 -9.634 -8.521 6.914 143 H GLU 18 H GLU 18 -3.891 -8.716 3.990 144 HA GLU 18 HA GLU 18 -4.261 -7.462 6.459 145 1HB GLU 18 1HB GLU 18 -3.132 -9.719 5.954 146 2HB GLU 18 2HB GLU 18 -1.709 -8.808 5.485 147 1HG GLU 18 1HG GLU 18 -1.148 -8.985 7.698 148 2HG GLU 18 2HG GLU 18 -2.239 -7.629 7.903 149 HE2 GLU 18 HE GLU 18 -2.107 -11.134 8.384 150 H ILE 19 H ILE 19 -2.196 -6.802 3.607 151 HA ILE 19 HA ILE 19 -0.674 -4.793 4.952 152 HB ILE 19 HB ILE 19 0.415 -4.485 2.897 153 1HG1 ILE 19 1HG1 ILE 19 -1.979 -5.810 1.595 154 2HG1 ILE 19 2HG1 ILE 19 -1.455 -4.146 1.417 155 1HG2 ILE 19 1HG2 ILE 19 -0.083 -7.142 3.910 156 2HG2 ILE 19 2HG2 ILE 19 0.242 -7.188 2.161 157 3HG2 ILE 19 3HG2 ILE 19 1.415 -6.431 3.264 158 1HD1 ILE 19 1HD1 ILE 19 -0.199 -6.661 0.307 159 2HD1 ILE 19 2HD1 ILE 19 -0.561 -5.124 -0.516 160 3HD1 ILE 19 3HD1 ILE 19 0.822 -5.234 0.600 161 H ALA 20 H ALA 20 -3.479 -4.892 2.682 162 HA ALA 20 HA ALA 20 -3.698 -2.158 2.284 163 1HB ALA 20 1HB ALA 20 -6.152 -2.784 1.853 164 2HB ALA 20 2HB ALA 20 -4.927 -3.653 0.895 165 3HB ALA 20 3HB ALA 20 -5.692 -4.446 2.292 166 H LEU 21 H LEU 21 -4.688 -4.257 5.001 167 HA LEU 21 HA LEU 21 -6.307 -2.270 6.230 168 1HB LEU 21 1HB LEU 21 -6.813 -4.515 6.689 169 2HB LEU 21 2HB LEU 21 -5.151 -4.911 7.083 170 HG LEU 21 HG LEU 21 -6.004 -2.877 8.898 171 1HD1 LEU 21 1HD1 LEU 21 -8.288 -3.351 8.541 172 2HD1 LEU 21 2HD1 LEU 21 -8.003 -5.107 8.505 173 3HD1 LEU 21 3HD1 LEU 21 -7.841 -4.211 10.034 174 1HD2 LEU 21 1HD2 LEU 21 -5.791 -5.728 9.747 175 2HD2 LEU 21 2HD2 LEU 21 -4.364 -4.967 9.004 176 3HD2 LEU 21 3HD2 LEU 21 -5.093 -4.255 10.464 177 H ILE 22 H ILE 22 -3.014 -3.623 6.985 178 HA ILE 22 HA ILE 22 -2.453 -1.803 9.002 179 HB ILE 22 HB ILE 22 -0.594 -3.267 7.124 180 1HG1 ILE 22 1HG1 ILE 22 -1.447 -4.073 9.912 181 2HG1 ILE 22 2HG1 ILE 22 -2.282 -4.622 8.474 182 1HG2 ILE 22 1HG2 ILE 22 1.161 -2.889 8.674 183 2HG2 ILE 22 2HG2 ILE 22 0.409 -1.307 8.359 184 3HG2 ILE 22 3HG2 ILE 22 0.052 -2.177 9.870 185 1HD1 ILE 22 1HD1 ILE 22 -0.200 -5.620 7.594 186 2HD1 ILE 22 2HD1 ILE 22 0.703 -4.999 8.996 187 3HD1 ILE 22 3HD1 ILE 22 -0.544 -6.248 9.224 188 H LEU 23 H LEU 23 -2.563 -1.443 5.511 189 HA LEU 23 HA LEU 23 -0.974 0.974 5.587 190 1HB LEU 23 1HB LEU 23 -1.037 -0.855 3.750 191 2HB LEU 23 2HB LEU 23 -2.509 -0.061 3.225 192 HG LEU 23 HG LEU 23 -1.182 2.089 3.054 193 1HD1 LEU 23 1HD1 LEU 23 0.779 0.594 4.381 194 2HD1 LEU 23 2HD1 LEU 23 1.387 0.801 2.720 195 3HD1 LEU 23 3HD1 LEU 23 0.940 2.226 3.688 196 1HD2 LEU 23 1HD2 LEU 23 -1.758 0.386 1.180 197 2HD2 LEU 23 2HD2 LEU 23 -0.559 1.663 0.863 198 3HD2 LEU 23 3HD2 LEU 23 -0.020 0.005 1.224 199 H GLN 24 H GLN 24 -4.216 -0.007 6.161 200 HA GLN 24 HA GLN 24 -5.129 2.692 5.547 201 1HB GLN 24 1HB GLN 24 -6.400 0.004 5.375 202 2HB GLN 24 2HB GLN 24 -7.430 1.258 6.039 203 1HG GLN 24 1HG GLN 24 -7.864 1.599 3.787 204 2HG GLN 24 2HG GLN 24 -6.489 2.671 3.960 205 1HE2 GLN 24 1HE2 GLN 24 -7.799 0.055 2.329 206 2HE2 GLN 24 2HE2 GLN 24 -6.399 -0.516 1.482 207 H ARG 25 H ARG 25 -4.050 0.705 8.053 208 HA ARG 25 HA ARG 25 -5.734 2.125 9.955 209 1HB ARG 25 1HB ARG 25 -4.824 -0.675 9.789 210 2HB ARG 25 2HB ARG 25 -4.431 0.035 11.343 211 1HG ARG 25 1HG ARG 25 -6.609 -0.794 11.702 212 2HG ARG 25 2HG ARG 25 -6.901 0.899 11.357 213 1HD ARG 25 1HD ARG 25 -6.844 -0.938 8.983 214 2HD ARG 25 2HD ARG 25 -8.204 -1.128 10.074 215 HE ARG 25 HE ARG 25 -7.781 1.066 8.250 216 1HH1 ARG 25 2HH2 ARG 25 -9.055 0.371 11.483 217 2HH1 ARG 25 1HH2 ARG 25 -10.135 1.724 11.483 218 1HH2 ARG 25 1HH ARG 25 -10.206 3.171 9.573 219 H GLU 26 H GLU 26 -2.414 0.767 9.373 220 HA GLU 26 HA GLU 26 -1.322 2.289 11.499 221 1HB GLU 26 1HB GLU 26 0.488 0.939 11.219 222 2HB GLU 26 2HB GLU 26 -0.549 0.021 10.144 223 1HG GLU 26 1HG GLU 26 1.294 0.407 8.753 224 2HG GLU 26 2HG GLU 26 0.260 1.749 8.306 225 HE2 GLU 26 HE GLU 26 2.729 3.739 8.624 226 H ILE 27 H ILE 27 -2.328 3.022 8.326 227 HA ILE 27 HA ILE 27 -0.301 5.091 7.982 228 HB ILE 27 HB ILE 27 -1.557 3.351 6.231 229 1HG1 ILE 27 1HG1 ILE 27 0.148 5.813 5.893 230 2HG1 ILE 27 2HG1 ILE 27 0.616 4.127 5.791 231 1HG2 ILE 27 1HG2 ILE 27 -3.573 4.808 6.330 232 2HG2 ILE 27 2HG2 ILE 27 -2.590 6.144 5.681 233 3HG2 ILE 27 3HG2 ILE 27 -2.853 4.678 4.706 234 1HD1 ILE 27 1HD1 ILE 27 0.517 4.846 3.525 235 2HD1 ILE 27 2HD1 ILE 27 -1.013 3.971 3.768 236 3HD1 ILE 27 3HD1 ILE 27 -0.994 5.750 3.791 237 H LYS 28 H LYS 28 -1.467 7.183 6.861 238 HA LYS 28 HA LYS 28 -3.437 7.994 8.874 239 1HB LYS 28 1HB LYS 28 -2.707 10.300 8.330 240 2HB LYS 28 2HB LYS 28 -1.423 9.298 8.973 241 1HG LYS 28 1HG LYS 28 -1.442 8.959 6.107 242 2HG LYS 28 2HG LYS 28 -1.518 10.679 6.439 243 1HD LYS 28 1HD LYS 28 0.817 10.167 6.378 244 2HD LYS 28 2HD LYS 28 0.436 10.333 8.081 245 1HE LYS 28 1HE LYS 28 0.405 7.631 6.665 246 2HE LYS 28 2HE LYS 28 1.853 8.279 7.410 247 1HZ LYS 28 1HZ LYS 28 0.218 6.797 8.792 248 2HZ LYS 28 2HZ LYS 28 0.944 8.064 9.514 249 H ASP 29 H ASP 29 -5.046 6.717 7.555 250 HA ASP 29 HA ASP 29 -5.636 7.810 4.989 251 1HB ASP 29 1HB ASP 29 -6.491 5.718 4.797 252 2HB ASP 29 2HB ASP 29 -6.295 5.443 6.517 253 HD2 ASP 29 HD ASP 29 -9.513 5.545 7.242 254 HA PRO 30 HA PRO 30 -9.339 9.298 7.620 255 1HB PRO 30 1HB PRO 30 -9.308 8.957 10.330 256 2HB PRO 30 2HB PRO 30 -10.105 7.846 9.234 257 1HG PRO 30 1HG PRO 30 -7.549 7.509 10.680 258 2HG PRO 30 2HG PRO 30 -8.559 6.285 9.937 259 1HD PRO 30 1HD PRO 30 -6.111 7.357 8.893 260 2HD PRO 30 2HD PRO 30 -7.181 6.219 8.098 261 H ARG 31 H ARG 31 -6.179 9.918 7.974 262 HA ARG 31 HA ARG 31 -6.584 12.243 9.605 263 1HB ARG 31 1HB ARG 31 -4.434 10.534 9.244 264 2HB ARG 31 2HB ARG 31 -3.968 11.871 8.213 265 1HG ARG 31 1HG ARG 31 -3.934 13.424 10.006 266 2HG ARG 31 2HG ARG 31 -4.979 12.440 11.012 267 1HD ARG 31 1HD ARG 31 -3.107 10.706 11.135 268 2HD ARG 31 2HD ARG 31 -2.072 11.837 10.288 269 HE ARG 31 HE ARG 31 -3.259 13.174 12.533 270 1HH1 ARG 31 2HH2 ARG 31 -0.833 10.695 11.810 271 2HH1 ARG 31 1HH2 ARG 31 0.085 10.997 13.249 272 1HH2 ARG 31 1HH ARG 31 -0.649 12.693 14.775 273 H LEU 32 H LEU 32 -6.153 11.279 6.206 274 HA LEU 32 HA LEU 32 -5.680 13.978 5.326 275 1HB LEU 32 1HB LEU 32 -5.878 11.282 4.049 276 2HB LEU 32 2HB LEU 32 -6.076 12.711 3.054 277 HG LEU 32 HG LEU 32 -3.865 13.507 3.645 278 1HD1 LEU 32 1HD1 LEU 32 -4.075 11.451 5.749 279 2HD1 LEU 32 2HD1 LEU 32 -2.488 11.557 4.947 280 3HD1 LEU 32 3HD1 LEU 32 -3.191 12.995 5.726 281 1HD2 LEU 32 1HD2 LEU 32 -2.746 12.163 2.205 282 2HD2 LEU 32 2HD2 LEU 32 -3.248 10.667 3.029 283 3HD2 LEU 32 3HD2 LEU 32 -4.379 11.506 1.940 284 H GLY 33 H GLY 33 -8.393 11.852 5.984 285 1HA GLY 33 1HA GLY 33 -10.576 12.563 6.185 286 2HA GLY 33 2HA GLY 33 -10.217 14.001 5.250 287 H MET 34 H MET 34 -9.021 10.922 4.019 288 HA MET 34 HA MET 34 -11.353 10.641 2.332 289 1HB MET 34 1HB MET 34 -8.472 10.997 1.335 290 2HB MET 34 2HB MET 34 -9.787 10.460 0.310 291 1HG MET 34 1HG MET 34 -9.956 12.720 -0.138 292 2HG MET 34 2HG MET 34 -10.957 12.697 1.300 293 1HE MET 34 1HE MET 34 -7.986 13.789 -0.480 294 2HE MET 34 2HE MET 34 -6.910 14.596 0.686 295 3HE MET 34 3HE MET 34 -6.903 12.821 0.550 296 H MET 35 H MET 35 -11.494 8.509 1.285 297 HA MET 35 HA MET 35 -10.096 6.552 2.875 298 1HB MET 35 1HB MET 35 -12.707 6.800 1.818 299 2HB MET 35 2HB MET 35 -11.976 5.586 0.790 300 1HG MET 35 1HG MET 35 -12.653 4.162 2.474 301 2HG MET 35 2HG MET 35 -11.131 4.641 3.200 302 1HE MET 35 1HE MET 35 -14.789 5.419 2.724 303 2HE MET 35 2HE MET 35 -15.289 6.319 4.176 304 3HE MET 35 3HE MET 35 -14.356 7.136 2.898 305 H THR 36 H THR 36 -8.248 5.598 2.151 306 HA THR 36 HA THR 36 -7.495 5.919 -0.616 307 HB THR 36 HB THR 36 -5.344 5.259 0.182 308 HG1 THR 36 HG1 THR 36 -6.887 4.115 2.404 309 1HG2 THR 36 1HG2 THR 36 -6.427 7.281 1.524 310 2HG2 THR 36 2HG2 THR 36 -6.514 6.103 2.854 311 3HG2 THR 36 3HG2 THR 36 -4.939 6.528 2.144 312 H THR 37 H THR 37 -6.771 4.120 -1.982 313 HA THR 37 HA THR 37 -8.150 1.607 -1.347 314 HB THR 37 HB THR 37 -8.497 3.448 -3.738 315 HG1 THR 37 HG1 THR 37 -10.713 2.720 -3.198 316 1HG2 THR 37 1HG2 THR 37 -7.847 1.177 -4.656 317 2HG2 THR 37 2HG2 THR 37 -9.132 0.450 -3.660 318 3HG2 THR 37 3HG2 THR 37 -9.552 1.583 -4.969 319 H VAL 38 H VAL 38 -7.431 -0.178 -2.926 320 HA VAL 38 HA VAL 38 -4.631 0.256 -3.668 321 HB VAL 38 HB VAL 38 -5.787 -1.942 -1.957 322 1HG1 VAL 38 1HG1 VAL 38 -3.100 -1.876 -3.368 323 2HG1 VAL 38 2HG1 VAL 38 -3.558 -3.032 -2.094 324 3HG1 VAL 38 3HG1 VAL 38 -4.427 -3.027 -3.647 325 1HG2 VAL 38 1HG2 VAL 38 -3.251 -0.467 -1.357 326 2HG2 VAL 38 2HG2 VAL 38 -4.803 0.371 -1.105 327 3HG2 VAL 38 3HG2 VAL 38 -4.465 -1.154 -0.251 328 H SER 39 H SER 39 -5.187 0.399 -5.875 329 HA SER 39 HA SER 39 -6.699 -1.824 -6.938 330 1HB SER 39 1HB SER 39 -6.718 0.872 -7.528 331 2HB SER 39 2HB SER 39 -5.670 0.263 -8.793 332 HG SER 39 HG SER 39 -7.692 0.044 -9.664 333 H GLY 40 H GLY 40 -3.770 -1.830 -5.891 334 1HA GLY 40 1HA GLY 40 -2.721 -3.514 -7.960 335 2HA GLY 40 2HA GLY 40 -1.885 -1.977 -7.865 336 H VAL 41 H VAL 41 -1.440 -5.032 -6.982 337 HA VAL 41 HA VAL 41 0.003 -4.261 -4.576 338 HB VAL 41 HB VAL 41 -2.050 -5.043 -3.665 339 1HG1 VAL 41 1HG1 VAL 41 -1.988 -6.886 -5.928 340 2HG1 VAL 41 2HG1 VAL 41 -2.376 -7.710 -4.399 341 3HG1 VAL 41 3HG1 VAL 41 -3.363 -6.331 -4.941 342 1HG2 VAL 41 1HG2 VAL 41 -0.025 -5.815 -2.526 343 2HG2 VAL 41 2HG2 VAL 41 -1.323 -7.025 -2.399 344 3HG2 VAL 41 3HG2 VAL 41 0.012 -7.270 -3.550 345 H GLU 42 H GLU 42 2.051 -5.049 -4.648 346 HA GLU 42 HA GLU 42 2.463 -7.387 -6.334 347 1HB GLU 42 1HB GLU 42 4.302 -4.954 -6.251 348 2HB GLU 42 2HB GLU 42 4.532 -6.390 -7.229 349 1HG GLU 42 1HG GLU 42 1.857 -5.227 -7.632 350 2HG GLU 42 2HG GLU 42 3.122 -4.062 -7.971 351 HE2 GLU 42 HE GLU 42 4.255 -5.573 -10.762 352 H MET 43 H MET 43 3.483 -9.014 -5.243 353 HA MET 43 HA MET 43 5.195 -8.202 -3.028 354 1HB MET 43 1HB MET 43 3.750 -10.809 -2.763 355 2HB MET 43 2HB MET 43 4.059 -9.592 -1.541 356 1HG MET 43 1HG MET 43 1.986 -9.261 -3.762 357 2HG MET 43 2HG MET 43 1.603 -9.868 -2.163 358 1HE MET 43 1HE MET 43 1.777 -6.937 0.160 359 2HE MET 43 2HE MET 43 0.726 -8.275 -0.361 360 3HE MET 43 3HE MET 43 2.436 -8.585 0.022 361 H SER 44 H SER 44 7.226 -8.702 -3.783 362 HA SER 44 HA SER 44 7.485 -11.284 -5.110 363 1HB SER 44 1HB SER 44 8.451 -8.676 -5.788 364 2HB SER 44 2HB SER 44 9.854 -9.630 -5.353 365 HG SER 44 HG SER 44 7.915 -10.839 -7.061 366 H ARG 45 H ARG 45 8.059 -12.802 -3.577 367 HA ARG 45 HA ARG 45 9.920 -11.927 -1.535 368 1HB ARG 45 1HB ARG 45 8.605 -14.646 -1.480 369 2HB ARG 45 2HB ARG 45 9.041 -13.608 -0.137 370 1HG ARG 45 1HG ARG 45 7.169 -12.063 -1.538 371 2HG ARG 45 2HG ARG 45 6.539 -13.691 -1.709 372 1HD ARG 45 1HD ARG 45 7.490 -13.105 1.037 373 2HD ARG 45 2HD ARG 45 6.194 -12.045 0.522 374 HE ARG 45 HE ARG 45 6.024 -14.966 0.917 375 1HH1 ARG 45 2HH2 ARG 45 4.453 -12.064 -0.372 376 2HH1 ARG 45 1HH2 ARG 45 2.873 -12.775 -0.388 377 1HH2 ARG 45 1HH ARG 45 2.594 -15.034 0.363 378 H ASP 46 H ASP 46 9.894 -13.384 -4.561 379 HA ASP 46 HA ASP 46 11.347 -15.650 -4.348 380 1HB ASP 46 1HB ASP 46 11.542 -13.419 -6.422 381 2HB ASP 46 2HB ASP 46 12.285 -14.991 -6.636 382 HD2 ASP 46 HD ASP 46 10.549 -16.720 -7.446 383 H LEU 47 H LEU 47 12.248 -12.343 -3.636 384 HA LEU 47 HA LEU 47 14.924 -13.215 -2.961 385 1HB LEU 47 1HB LEU 47 14.323 -11.611 -5.301 386 2HB LEU 47 2HB LEU 47 15.356 -10.743 -4.182 387 HG LEU 47 HG LEU 47 16.237 -13.505 -4.604 388 1HD1 LEU 47 1HD1 LEU 47 17.154 -12.959 -6.921 389 2HD1 LEU 47 2HD1 LEU 47 15.428 -13.378 -6.806 390 3HD1 LEU 47 3HD1 LEU 47 15.921 -11.677 -6.984 391 1HD2 LEU 47 1HD2 LEU 47 17.337 -10.846 -4.163 392 2HD2 LEU 47 2HD2 LEU 47 18.018 -12.448 -3.790 393 3HD2 LEU 47 3HD2 LEU 47 18.232 -11.746 -5.412 394 H ALA 48 H ALA 48 13.171 -10.059 -3.376 395 HA ALA 48 HA ALA 48 12.339 -9.678 -0.831 396 1HB ALA 48 1HB ALA 48 14.509 -8.056 -0.307 397 2HB ALA 48 2HB ALA 48 14.246 -9.672 0.390 398 3HB ALA 48 3HB ALA 48 15.276 -9.481 -1.048 399 H TYR 49 H TYR 49 11.093 -8.927 -2.947 400 HA TYR 49 HA TYR 49 11.403 -6.038 -2.993 401 1HB TYR 49 1HB TYR 49 11.028 -7.647 -5.563 402 2HB TYR 49 2HB TYR 49 11.633 -6.010 -5.407 403 HD1 TYR 49 HD1 TYR 49 12.584 -9.220 -6.237 404 HD2 TYR 49 HD2 TYR 49 13.897 -5.934 -3.833 405 HE1 TYR 49 HE1 TYR 49 14.972 -10.084 -6.348 406 HE2 TYR 49 HE2 TYR 49 16.281 -6.809 -3.953 407 HH TYR 49 HH TYR 49 17.618 -8.190 -5.409 408 H ALA 50 H ALA 50 9.452 -4.936 -3.408 409 HA ALA 50 HA ALA 50 7.164 -6.399 -4.327 410 1HB ALA 50 1HB ALA 50 5.875 -5.832 -2.188 411 2HB ALA 50 2HB ALA 50 7.042 -7.170 -2.072 412 3HB ALA 50 3HB ALA 50 7.459 -5.569 -1.421 413 H LYS 51 H LYS 51 5.221 -4.891 -4.449 414 HA LYS 51 HA LYS 51 5.874 -2.086 -4.223 415 1HB LYS 51 1HB LYS 51 4.826 -2.543 -6.886 416 2HB LYS 51 2HB LYS 51 6.215 -1.607 -6.372 417 1HG LYS 51 1HG LYS 51 7.599 -3.662 -6.264 418 2HG LYS 51 2HG LYS 51 6.211 -4.647 -6.678 419 1HD LYS 51 1HD LYS 51 6.647 -4.330 -8.877 420 2HD LYS 51 2HD LYS 51 6.365 -2.612 -8.683 421 1HE LYS 51 1HE LYS 51 8.619 -2.106 -8.597 422 2HE LYS 51 2HE LYS 51 9.024 -3.560 -7.706 423 1HZ LYS 51 1HZ LYS 51 8.959 -4.830 -9.710 424 2HZ LYS 51 2HZ LYS 51 8.262 -3.636 -10.571 425 H VAL 52 H VAL 52 4.179 -1.427 -3.011 426 HA VAL 52 HA VAL 52 1.564 -2.592 -3.646 427 HB VAL 52 HB VAL 52 2.630 -2.775 -1.334 428 1HG1 VAL 52 1HG1 VAL 52 3.465 -0.460 -1.193 429 2HG1 VAL 52 2HG1 VAL 52 1.790 0.142 -1.201 430 3HG1 VAL 52 3HG1 VAL 52 2.372 -0.851 0.157 431 1HG2 VAL 52 1HG2 VAL 52 0.554 -3.149 -0.567 432 2HG2 VAL 52 2HG2 VAL 52 0.057 -1.460 -0.825 433 3HG2 VAL 52 3HG2 VAL 52 0.003 -2.620 -2.175 434 H TYR 53 H TYR 53 -0.046 -1.333 -4.486 435 HA TYR 53 HA TYR 53 0.647 1.478 -4.928 436 1HB TYR 53 1HB TYR 53 -0.424 -0.710 -6.452 437 2HB TYR 53 2HB TYR 53 -1.797 0.343 -6.168 438 HD1 TYR 53 HD1 TYR 53 -0.521 3.030 -6.268 439 HD2 TYR 53 HD2 TYR 53 0.090 -0.424 -8.718 440 HE1 TYR 53 HE1 TYR 53 0.231 4.517 -8.188 441 HE2 TYR 53 HE2 TYR 53 0.839 1.074 -10.630 442 HH TYR 53 HH TYR 53 1.831 3.320 -10.873 443 H VAL 54 H VAL 54 -0.766 3.172 -4.367 444 HA VAL 54 HA VAL 54 -3.225 2.445 -2.998 445 HB VAL 54 HB VAL 54 -2.313 4.318 -1.286 446 1HG1 VAL 54 1HG1 VAL 54 -1.575 1.427 -0.834 447 2HG1 VAL 54 2HG1 VAL 54 -2.228 2.617 0.318 448 3HG1 VAL 54 3HG1 VAL 54 -3.277 1.934 -0.948 449 1HG2 VAL 54 1HG2 VAL 54 -0.047 4.064 -2.603 450 2HG2 VAL 54 2HG2 VAL 54 -0.052 4.221 -0.830 451 3HG2 VAL 54 3HG2 VAL 54 0.144 2.619 -1.583 452 H THR 55 H THR 55 -4.821 3.711 -3.791 453 HA THR 55 HA THR 55 -4.002 6.248 -5.035 454 HB THR 55 HB THR 55 -5.018 4.973 -6.732 455 HG1 THR 55 HG1 THR 55 -6.637 6.471 -6.890 456 1HG2 THR 55 1HG2 THR 55 -7.282 3.736 -6.119 457 2HG2 THR 55 2HG2 THR 55 -5.737 2.945 -5.725 458 3HG2 THR 55 3HG2 THR 55 -6.652 3.795 -4.456 459 H PHE 56 H PHE 56 -4.701 8.162 -4.273 460 HA PHE 56 HA PHE 56 -6.783 8.026 -2.208 461 1HB PHE 56 1HB PHE 56 -4.466 10.026 -2.412 462 2HB PHE 56 2HB PHE 56 -5.486 9.744 -1.017 463 HD1 PHE 56 HD1 PHE 56 -4.750 8.327 0.668 464 HD2 PHE 56 HD2 PHE 56 -3.001 8.010 -3.186 465 HE1 PHE 56 HE1 PHE 56 -3.069 6.693 1.565 466 HE2 PHE 56 HE2 PHE 56 -1.321 6.377 -2.288 467 HZ PHE 56 HZ PHE 56 -1.373 5.737 0.077 468 H LEU 57 H LEU 57 -7.919 10.191 -1.881 469 HA LEU 57 HA LEU 57 -8.426 11.317 -4.520 470 1HB LEU 57 1HB LEU 57 -10.226 10.334 -3.012 471 2HB LEU 57 2HB LEU 57 -10.005 11.741 -1.988 472 HG LEU 57 HG LEU 57 -10.489 13.147 -4.084 473 1HD1 LEU 57 1HD1 LEU 57 -11.406 10.432 -5.059 474 2HD1 LEU 57 2HD1 LEU 57 -11.939 11.978 -5.764 475 3HD1 LEU 57 3HD1 LEU 57 -10.220 11.525 -5.812 476 1HD2 LEU 57 1HD2 LEU 57 -13.063 12.353 -3.833 477 2HD2 LEU 57 2HD2 LEU 57 -12.359 11.621 -2.372 478 3HD2 LEU 57 3HD2 LEU 57 -12.212 13.373 -2.650 479 H ASN 58 H ASN 58 -6.054 11.851 -2.555 480 HA ASN 58 HA ASN 58 -6.334 14.351 -1.487 481 1HB ASN 58 1HB ASN 58 -4.116 12.547 -2.261 482 2HB ASN 58 2HB ASN 58 -3.661 14.234 -2.382 483 1HD2 ASN 58 1HD2 ASN 58 -5.122 15.413 -0.412 484 2HD2 ASN 58 2HD2 ASN 58 -4.634 14.853 1.152 485 H ASP 59 H ASP 59 -5.766 13.225 -4.821 486 HA ASP 59 HA ASP 59 -4.594 15.192 -6.093 487 1HB ASP 59 1HB ASP 59 -5.414 13.490 -7.480 488 2HB ASP 59 2HB ASP 59 -7.010 13.525 -6.757 489 HD2 ASP 59 HD ASP 59 -8.402 15.170 -7.484 490 H LYS 60 H LYS 60 -8.005 15.188 -4.887 491 HA LYS 60 HA LYS 60 -9.078 17.371 -5.988 492 1HB LYS 60 1HB LYS 60 -9.304 16.044 -3.350 493 2HB LYS 60 2HB LYS 60 -9.911 17.687 -3.409 494 1HG LYS 60 1HG LYS 60 -10.896 16.601 -5.787 495 2HG LYS 60 2HG LYS 60 -10.981 15.239 -4.688 496 1HD LYS 60 1HD LYS 60 -11.961 17.902 -3.677 497 2HD LYS 60 2HD LYS 60 -12.956 17.069 -4.854 498 1HE LYS 60 1HE LYS 60 -13.115 15.088 -3.426 499 2HE LYS 60 2HE LYS 60 -11.921 15.727 -2.314 500 1HZ LYS 60 1HZ LYS 60 -13.466 17.060 -1.347 501 2HZ LYS 60 2HZ LYS 60 -14.195 17.469 -2.745 502 H ASP 61 H ASP 61 -6.605 17.333 -3.367 503 HA ASP 61 HA ASP 61 -6.257 20.171 -3.927 504 1HB ASP 61 1HB ASP 61 -5.452 19.088 -1.246 505 2HB ASP 61 2HB ASP 61 -6.060 20.678 -1.659 506 HD2 ASP 61 HD ASP 61 -7.096 17.538 -0.617 507 H GLU 62 H GLU 62 -4.214 20.468 -4.829 508 HA GLU 62 HA GLU 62 -2.354 18.385 -4.858 509 1HB GLU 62 1HB GLU 62 -2.700 20.325 -6.546 510 2HB GLU 62 2HB GLU 62 -1.735 21.300 -5.455 511 1HG GLU 62 1HG GLU 62 0.191 19.862 -5.707 512 2HG GLU 62 2HG GLU 62 -0.754 18.604 -6.477 513 HE2 GLU 62 HE GLU 62 1.527 20.338 -7.568 514 H ASP 63 H ASP 63 -3.081 20.882 -2.550 515 HA ASP 63 HA ASP 63 -0.492 21.164 -1.506 516 1HB ASP 63 1HB ASP 63 -3.028 22.331 -1.113 517 2HB ASP 63 2HB ASP 63 -2.694 21.549 0.419 518 HD2 ASP 63 HD ASP 63 0.138 23.338 1.080 519 H ALA 64 H ALA 64 -3.413 19.167 -0.747 520 HA ALA 64 HA ALA 64 -2.149 17.927 1.517 521 1HB ALA 64 1HB ALA 64 -4.726 17.254 0.041 522 2HB ALA 64 2HB ALA 64 -4.248 16.682 1.658 523 3HB ALA 64 3HB ALA 64 -4.591 18.408 1.391 524 H VAL 65 H VAL 65 -2.246 17.513 -1.944 525 HA VAL 65 HA VAL 65 -1.795 14.697 -1.922 526 HB VAL 65 HB VAL 65 -2.579 16.586 -3.756 527 1HG1 VAL 65 1HG1 VAL 65 -0.204 17.261 -4.077 528 2HG1 VAL 65 2HG1 VAL 65 0.164 15.605 -4.613 529 3HG1 VAL 65 3HG1 VAL 65 -0.956 16.617 -5.557 530 1HG2 VAL 65 1HG2 VAL 65 -3.422 14.597 -4.369 531 2HG2 VAL 65 2HG2 VAL 65 -1.932 14.403 -5.324 532 3HG2 VAL 65 3HG2 VAL 65 -2.040 13.701 -3.692 533 H LYS 66 H LYS 66 0.223 17.676 -2.127 534 HA LYS 66 HA LYS 66 2.631 16.184 -2.464 535 1HB LYS 66 1HB LYS 66 1.808 18.846 -2.793 536 2HB LYS 66 2HB LYS 66 2.976 18.902 -1.489 537 1HG LYS 66 1HG LYS 66 4.716 18.007 -2.823 538 2HG LYS 66 2HG LYS 66 3.605 17.260 -3.953 539 1HD LYS 66 1HD LYS 66 2.954 19.967 -4.177 540 2HD LYS 66 2HD LYS 66 4.687 20.017 -3.924 541 1HE LYS 66 1HE LYS 66 3.797 17.928 -5.852 542 2HE LYS 66 2HE LYS 66 3.461 19.570 -6.368 543 1HZ LYS 66 1HZ LYS 66 5.616 19.600 -6.986 544 2HZ LYS 66 2HZ LYS 66 6.018 19.705 -5.412 545 H ALA 67 H ALA 67 1.122 18.044 0.265 546 HA ALA 67 HA ALA 67 3.107 17.350 2.118 547 1HB ALA 67 1HB ALA 67 0.250 18.344 2.285 548 2HB ALA 67 2HB ALA 67 1.192 17.981 3.751 549 3HB ALA 67 3HB ALA 67 1.761 19.226 2.614 550 H GLY 68 H GLY 68 -0.206 15.989 1.494 551 1HA GLY 68 1HA GLY 68 -0.205 13.997 3.394 552 2HA GLY 68 2HA GLY 68 -1.039 13.933 1.855 553 H ILE 69 H ILE 69 0.674 13.595 -0.120 554 HA ILE 69 HA ILE 69 1.603 11.002 0.157 555 HB ILE 69 HB ILE 69 1.016 12.431 -1.915 556 1HG1 ILE 69 1HG1 ILE 69 3.277 10.412 -1.891 557 2HG1 ILE 69 2HG1 ILE 69 1.563 10.068 -2.012 558 1HG2 ILE 69 1HG2 ILE 69 3.969 12.817 -2.185 559 2HG2 ILE 69 2HG2 ILE 69 2.621 13.685 -2.959 560 3HG2 ILE 69 3HG2 ILE 69 3.025 14.007 -1.256 561 1HD1 ILE 69 1HD1 ILE 69 2.722 11.971 -4.032 562 2HD1 ILE 69 2HD1 ILE 69 3.125 10.244 -4.192 563 3HD1 ILE 69 3HD1 ILE 69 1.423 10.769 -4.222 564 H LYS 70 H LYS 70 3.089 14.117 0.933 565 HA LYS 70 HA LYS 70 5.752 13.181 0.988 566 1HB LYS 70 1HB LYS 70 4.275 15.617 1.861 567 2HB LYS 70 2HB LYS 70 5.820 15.311 2.626 568 1HG LYS 70 1HG LYS 70 6.977 15.273 0.495 569 2HG LYS 70 2HG LYS 70 5.472 15.215 -0.401 570 1HD LYS 70 1HD LYS 70 5.068 17.481 -0.156 571 2HD LYS 70 2HD LYS 70 5.763 17.545 1.451 572 1HE LYS 70 1HE LYS 70 8.068 17.266 0.376 573 2HE LYS 70 2HE LYS 70 7.295 17.427 -1.188 574 1HZ LYS 70 1HZ LYS 70 7.011 19.646 -0.870 575 2HZ LYS 70 2HZ LYS 70 6.605 19.514 0.702 576 H ALA 71 H ALA 71 3.019 13.135 3.271 577 HA ALA 71 HA ALA 71 4.679 12.368 5.481 578 1HB ALA 71 1HB ALA 71 2.570 13.698 5.693 579 2HB ALA 71 2HB ALA 71 1.655 12.276 5.138 580 3HB ALA 71 3HB ALA 71 2.556 12.210 6.670 581 H LEU 72 H LEU 72 2.505 10.791 3.081 582 HA LEU 72 HA LEU 72 2.703 8.237 4.291 583 1HB LEU 72 1HB LEU 72 1.164 9.459 2.327 584 2HB LEU 72 2HB LEU 72 2.091 8.262 1.446 585 HG LEU 72 HG LEU 72 1.291 6.658 3.392 586 1HD1 LEU 72 1HD1 LEU 72 -0.245 7.420 4.795 587 2HD1 LEU 72 2HD1 LEU 72 -0.069 9.037 4.072 588 3HD1 LEU 72 3HD1 LEU 72 -1.294 7.909 3.443 589 1HD2 LEU 72 1HD2 LEU 72 0.612 7.033 0.762 590 2HD2 LEU 72 2HD2 LEU 72 0.052 5.698 1.797 591 3HD2 LEU 72 3HD2 LEU 72 -0.965 7.142 1.579 592 H GLN 73 H GLN 73 4.753 10.166 2.203 593 HA GLN 73 HA GLN 73 6.146 7.915 1.165 594 1HB GLN 73 1HB GLN 73 5.933 10.071 -0.076 595 2HB GLN 73 2HB GLN 73 6.881 10.876 1.158 596 1HG GLN 73 1HG GLN 73 8.475 8.670 0.479 597 2HG GLN 73 2HG GLN 73 7.776 9.137 -1.058 598 1HE2 GLN 73 1HE2 GLN 73 10.503 9.364 0.221 599 2HE2 GLN 73 2HE2 GLN 73 10.986 11.013 -0.003 600 H GLU 74 H GLU 74 6.849 10.542 3.574 601 HA GLU 74 HA GLU 74 9.348 9.579 4.260 602 1HB GLU 74 1HB GLU 74 9.299 11.178 6.001 603 2HB GLU 74 2HB GLU 74 8.239 11.860 4.785 604 1HG GLU 74 1HG GLU 74 6.261 10.855 5.999 605 2HG GLU 74 2HG GLU 74 7.351 10.281 7.245 606 HE2 GLU 74 HE GLU 74 7.016 13.287 8.869 607 H ALA 75 H ALA 75 6.076 8.603 5.206 608 HA ALA 75 HA ALA 75 7.122 6.965 7.375 609 1HB ALA 75 1HB ALA 75 4.968 6.954 8.185 610 2HB ALA 75 2HB ALA 75 4.895 8.460 7.239 611 3HB ALA 75 3HB ALA 75 4.241 6.950 6.560 612 H SER 76 H SER 76 7.416 6.675 4.223 613 HA SER 76 HA SER 76 6.006 4.464 3.443 614 1HB SER 76 1HB SER 76 8.708 5.593 2.660 615 2HB SER 76 2HB SER 76 8.140 4.102 1.934 616 HG SER 76 HG SER 76 6.732 5.193 0.731 617 H GLY 77 H GLY 77 9.557 4.382 4.232 618 1HA GLY 77 1HA GLY 77 9.861 1.701 4.565 619 2HA GLY 77 2HA GLY 77 10.775 2.915 5.437 620 H PHE 78 H PHE 78 8.157 3.971 6.689 621 HA PHE 78 HA PHE 78 8.315 2.387 9.022 622 1HB PHE 78 1HB PHE 78 7.096 4.858 7.976 623 2HB PHE 78 2HB PHE 78 5.922 3.991 8.946 624 HD1 PHE 78 HD1 PHE 78 9.085 5.814 8.986 625 HD2 PHE 78 HD2 PHE 78 6.280 3.669 11.338 626 HE1 PHE 78 HE1 PHE 78 10.127 6.740 11.072 627 HE2 PHE 78 HE2 PHE 78 7.322 4.594 13.425 628 HZ PHE 78 HZ PHE 78 9.233 6.118 13.268 629 H ILE 79 H ILE 79 5.888 2.739 6.367 630 HA ILE 79 HA ILE 79 3.999 1.025 7.564 631 HB ILE 79 HB ILE 79 2.763 1.318 5.654 632 1HG1 ILE 79 1HG1 ILE 79 5.389 1.287 4.210 633 2HG1 ILE 79 2HG1 ILE 79 3.947 0.333 3.928 634 1HG2 ILE 79 1HG2 ILE 79 4.312 3.731 5.007 635 2HG2 ILE 79 2HG2 ILE 79 2.632 3.551 5.570 636 3HG2 ILE 79 3HG2 ILE 79 3.972 3.519 6.741 637 1HD1 ILE 79 1HD1 ILE 79 3.848 1.850 2.146 638 2HD1 ILE 79 2HD1 ILE 79 2.840 2.679 3.355 639 3HD1 ILE 79 3HD1 ILE 79 4.529 3.183 3.110 640 H ARG 80 H ARG 80 6.769 0.544 5.329 641 HA ARG 80 HA ARG 80 6.160 -2.065 4.676 642 1HB ARG 80 1HB ARG 80 7.831 -0.816 3.413 643 2HB ARG 80 2HB ARG 80 8.814 -0.566 4.842 644 1HG ARG 80 1HG ARG 80 8.484 -3.379 4.669 645 2HG ARG 80 2HG ARG 80 8.754 -2.858 3.019 646 1HD ARG 80 1HD ARG 80 10.617 -1.388 4.610 647 2HD ARG 80 2HD ARG 80 10.667 -3.032 5.214 648 HE ARG 80 HE ARG 80 10.713 -2.890 2.290 649 1HH1 ARG 80 2HH2 ARG 80 12.715 -2.804 5.212 650 2HH1 ARG 80 1HH2 ARG 80 14.157 -3.296 4.389 651 1HH2 ARG 80 1HH ARG 80 14.074 -3.724 2.033 652 H SER 81 H SER 81 8.089 -0.616 7.364 653 HA SER 81 HA SER 81 8.885 -3.146 8.346 654 1HB SER 81 1HB SER 81 10.195 -1.039 8.684 655 2HB SER 81 2HB SER 81 8.911 -0.409 9.697 656 HG SER 81 HG SER 81 9.707 -1.504 11.347 657 H LEU 82 H LEU 82 6.171 -0.902 8.829 658 HA LEU 82 HA LEU 82 5.295 -1.851 11.305 659 1HB LEU 82 1HB LEU 82 4.634 0.261 10.142 660 2HB LEU 82 2HB LEU 82 3.643 -0.696 9.059 661 HG LEU 82 HG LEU 82 1.984 -0.288 10.494 662 1HD1 LEU 82 1HD1 LEU 82 2.254 -2.618 10.965 663 2HD1 LEU 82 2HD1 LEU 82 3.527 -2.289 12.164 664 3HD1 LEU 82 3HD1 LEU 82 1.848 -1.791 12.487 665 1HD2 LEU 82 1HD2 LEU 82 3.670 1.363 11.618 666 2HD2 LEU 82 2HD2 LEU 82 2.163 0.915 12.452 667 3HD2 LEU 82 3HD2 LEU 82 3.699 0.146 12.915 668 H LEU 83 H LEU 83 4.582 -2.879 7.917 669 HA LEU 83 HA LEU 83 2.727 -4.860 8.727 670 1HB LEU 83 1HB LEU 83 4.172 -4.186 6.187 671 2HB LEU 83 2HB LEU 83 3.254 -5.674 6.317 672 HG LEU 83 HG LEU 83 1.257 -4.241 6.995 673 1HD1 LEU 83 1HD1 LEU 83 2.781 -2.233 7.494 674 2HD1 LEU 83 2HD1 LEU 83 2.766 -1.956 5.736 675 3HD1 LEU 83 3HD1 LEU 83 1.241 -1.932 6.655 676 1HD2 LEU 83 1HD2 LEU 83 2.473 -4.070 4.231 677 2HD2 LEU 83 2HD2 LEU 83 1.282 -5.243 4.841 678 3HD2 LEU 83 3HD2 LEU 83 0.817 -3.540 4.613 679 H GLY 84 H GLY 84 6.222 -4.893 7.783 680 1HA GLY 84 1HA GLY 84 6.694 -7.601 7.886 681 2HA GLY 84 2HA GLY 84 7.858 -6.353 8.283 682 H LYS 85 H LYS 85 6.678 -5.186 10.593 683 HA LYS 85 HA LYS 85 7.355 -7.206 12.507 684 1HB LYS 85 1HB LYS 85 7.054 -4.285 12.431 685 2HB LYS 85 2HB LYS 85 6.464 -5.001 13.917 686 1HG LYS 85 1HG LYS 85 8.720 -6.373 13.874 687 2HG LYS 85 2HG LYS 85 9.254 -5.157 12.729 688 1HD LYS 85 1HD LYS 85 7.946 -4.127 15.223 689 2HD LYS 85 2HD LYS 85 9.511 -4.886 15.436 690 1HE LYS 85 1HE LYS 85 9.741 -3.199 13.131 691 2HE LYS 85 2HE LYS 85 8.900 -2.261 14.349 692 1HZ LYS 85 1HZ LYS 85 11.302 -2.055 14.607 693 2HZ LYS 85 2HZ LYS 85 10.699 -2.810 15.918 694 H ALA 86 H ALA 86 4.403 -5.447 11.429 695 HA ALA 86 HA ALA 86 2.706 -6.439 13.406 696 1HB ALA 86 1HB ALA 86 1.962 -4.592 12.135 697 2HB ALA 86 2HB ALA 86 2.333 -5.392 10.589 698 3HB ALA 86 3HB ALA 86 0.950 -5.941 11.566 699 H MET 87 H MET 87 4.023 -7.849 10.421 700 HA MET 87 HA MET 87 2.437 -10.231 11.011 701 1HB MET 87 1HB MET 87 2.677 -8.685 8.601 702 2HB MET 87 2HB MET 87 3.560 -10.170 8.304 703 1HG MET 87 1HG MET 87 1.515 -11.455 9.157 704 2HG MET 87 2HG MET 87 0.652 -9.932 9.207 705 1HE MET 87 1HE MET 87 0.870 -8.697 5.556 706 2HE MET 87 2HE MET 87 1.195 -8.241 7.245 707 3HE MET 87 3HE MET 87 2.518 -8.831 6.214 708 H ARG 88 H ARG 88 5.200 -9.228 11.957 709 HA ARG 88 HA ARG 88 7.354 -9.847 11.796 710 1HB ARG 88 1HB ARG 88 5.695 -12.156 12.869 711 2HB ARG 88 2HB ARG 88 7.441 -12.296 12.827 712 1HG ARG 88 1HG ARG 88 7.601 -10.121 14.118 713 2HG ARG 88 2HG ARG 88 5.852 -10.099 14.237 714 1HD ARG 88 1HD ARG 88 6.235 -11.224 16.208 715 2HD ARG 88 2HD ARG 88 6.323 -12.628 15.162 716 HE ARG 88 HE ARG 88 8.914 -11.472 15.201 717 1HH1 ARG 88 2HH2 ARG 88 6.697 -13.038 17.480 718 2HH1 ARG 88 1HH2 ARG 88 7.967 -13.648 18.487 719 1HH2 ARG 88 1HH ARG 88 10.247 -13.187 17.910 720 H LEU 89 H LEU 89 8.029 -9.886 9.580 721 HA LEU 89 HA LEU 89 8.008 -12.574 8.398 722 1HB LEU 89 1HB LEU 89 7.142 -11.866 6.483 723 2HB LEU 89 2HB LEU 89 6.538 -10.522 7.432 724 HG LEU 89 HG LEU 89 9.100 -10.511 5.812 725 1HD1 LEU 89 1HD1 LEU 89 6.999 -10.607 4.466 726 2HD1 LEU 89 2HD1 LEU 89 6.498 -9.078 5.228 727 3HD1 LEU 89 3HD1 LEU 89 7.962 -9.131 4.219 728 1HD2 LEU 89 1HD2 LEU 89 8.165 -7.894 6.469 729 2HD2 LEU 89 2HD2 LEU 89 8.278 -8.849 7.967 730 3HD2 LEU 89 3HD2 LEU 89 9.700 -8.682 6.909 731 H ARG 90 H ARG 90 9.821 -12.756 6.669 732 HA ARG 90 HA ARG 90 12.126 -11.347 7.758 733 1HB ARG 90 1HB ARG 90 13.263 -13.523 6.566 734 2HB ARG 90 2HB ARG 90 12.753 -13.518 8.242 735 1HG ARG 90 1HG ARG 90 10.666 -14.614 7.722 736 2HG ARG 90 2HG ARG 90 10.849 -14.316 6.004 737 1HD ARG 90 1HD ARG 90 12.625 -15.929 5.797 738 2HD ARG 90 2HD ARG 90 12.880 -15.996 7.530 739 HE ARG 90 HE ARG 90 10.805 -17.407 6.012 740 1HH1 ARG 90 2HH2 ARG 90 11.753 -16.231 9.216 741 2HH1 ARG 90 1HH2 ARG 90 10.746 -17.355 10.064 742 1HH2 ARG 90 1HH ARG 90 9.414 -18.911 8.818 743 H ILE 91 H ILE 91 10.494 -12.695 4.843 744 HA ILE 91 HA ILE 91 12.235 -12.251 2.865 745 HB ILE 91 HB ILE 91 10.200 -11.555 1.498 746 1HG1 ILE 91 1HG1 ILE 91 8.426 -12.433 3.696 747 2HG1 ILE 91 2HG1 ILE 91 9.127 -10.840 3.907 748 1HG2 ILE 91 1HG2 ILE 91 10.485 -14.109 3.054 749 2HG2 ILE 91 2HG2 ILE 91 9.118 -13.879 1.939 750 3HG2 ILE 91 3HG2 ILE 91 10.788 -13.788 1.332 751 1HD1 ILE 91 1HD1 ILE 91 7.835 -9.940 2.266 752 2HD1 ILE 91 2HD1 ILE 91 8.199 -11.274 1.145 753 3HD1 ILE 91 3HD1 ILE 91 6.892 -11.449 2.342 754 H VAL 92 H VAL 92 10.628 -9.785 4.861 755 HA VAL 92 HA VAL 92 10.532 -7.520 4.481 756 HB VAL 92 HB VAL 92 13.411 -8.283 4.994 757 1HG1 VAL 92 1HG1 VAL 92 13.189 -5.869 6.171 758 2HG1 VAL 92 2HG1 VAL 92 13.793 -6.094 4.511 759 3HG1 VAL 92 3HG1 VAL 92 12.099 -5.622 4.786 760 1HG2 VAL 92 1HG2 VAL 92 11.242 -7.411 6.929 761 2HG2 VAL 92 2HG2 VAL 92 11.696 -9.103 6.616 762 3HG2 VAL 92 3HG2 VAL 92 12.880 -7.982 7.328 763 HA PRO 93 HA PRO 93 12.044 -7.522 0.163 764 1HB PRO 93 1HB PRO 93 9.644 -7.464 -1.143 765 2HB PRO 93 2HB PRO 93 10.552 -8.939 -0.871 766 1HG PRO 93 1HG PRO 93 8.114 -7.985 0.500 767 2HG PRO 93 2HG PRO 93 8.782 -9.603 0.449 768 1HD PRO 93 1HD PRO 93 8.937 -7.752 2.634 769 2HD PRO 93 2HD PRO 93 9.702 -9.325 2.536 770 H GLU 94 H GLU 94 12.223 -5.781 -1.325 771 HA GLU 94 HA GLU 94 11.816 -3.356 0.001 772 1HB GLU 94 1HB GLU 94 13.418 -4.201 -2.050 773 2HB GLU 94 2HB GLU 94 12.207 -3.321 -2.961 774 1HG GLU 94 1HG GLU 94 12.576 -1.304 -1.567 775 2HG GLU 94 2HG GLU 94 13.717 -2.177 -0.563 776 HE2 GLU 94 HE GLU 94 15.579 -0.949 -1.257 777 H LEU 95 H LEU 95 9.409 -3.801 0.434 778 HA LEU 95 HA LEU 95 7.620 -3.622 -1.762 779 1HB LEU 95 1HB LEU 95 7.424 -4.531 0.750 780 2HB LEU 95 2HB LEU 95 6.756 -2.930 0.995 781 HG LEU 95 HG LEU 95 5.571 -4.145 -1.348 782 1HD1 LEU 95 1HD1 LEU 95 6.278 -6.198 0.084 783 2HD1 LEU 95 2HD1 LEU 95 4.932 -5.704 1.140 784 3HD1 LEU 95 3HD1 LEU 95 4.625 -6.105 -0.568 785 1HD2 LEU 95 1HD2 LEU 95 4.381 -2.402 -0.409 786 2HD2 LEU 95 2HD2 LEU 95 3.494 -3.823 0.193 787 3HD2 LEU 95 3HD2 LEU 95 4.642 -2.975 1.256 788 H THR 96 H THR 96 8.187 -1.793 -3.005 789 HA THR 96 HA THR 96 8.533 0.762 -1.831 790 HB THR 96 HB THR 96 9.245 -0.327 -4.176 791 HG1 THR 96 HG1 THR 96 8.187 2.396 -4.002 792 1HG2 THR 96 1HG2 THR 96 7.845 0.303 -6.013 793 2HG2 THR 96 2HG2 THR 96 6.710 -0.427 -4.853 794 3HG2 THR 96 3HG2 THR 96 6.830 1.344 -4.987 795 H PHE 97 H PHE 97 7.135 2.690 -2.447 796 HA PHE 97 HA PHE 97 4.325 1.891 -2.134 797 1HB PHE 97 1HB PHE 97 5.999 3.284 -0.381 798 2HB PHE 97 2HB PHE 97 5.303 4.609 -1.292 799 HD1 PHE 97 HD1 PHE 97 4.077 5.544 0.533 800 HD2 PHE 97 HD2 PHE 97 3.471 1.495 -0.578 801 HE1 PHE 97 HE1 PHE 97 2.023 5.457 1.974 802 HE2 PHE 97 HE2 PHE 97 1.418 1.406 0.861 803 HZ PHE 97 HZ PHE 97 0.719 3.388 2.122 804 H PHE 98 H PHE 98 3.207 2.291 -3.983 805 HA PHE 98 HA PHE 98 4.086 4.571 -5.597 806 1HB PHE 98 1HB PHE 98 3.227 1.811 -6.052 807 2HB PHE 98 2HB PHE 98 2.077 2.875 -6.835 808 HD1 PHE 98 HD1 PHE 98 3.474 4.976 -8.034 809 HD2 PHE 98 HD2 PHE 98 4.811 0.985 -7.493 810 HE1 PHE 98 HE1 PHE 98 5.040 5.237 -9.978 811 HE2 PHE 98 HE2 PHE 98 6.376 1.247 -9.436 812 HZ PHE 98 HZ PHE 98 6.473 3.368 -10.656 813 H TYR 99 H TYR 99 2.905 6.405 -5.363 814 HA TYR 99 HA TYR 99 0.189 6.164 -4.341 815 1HB TYR 99 1HB TYR 99 1.656 8.724 -5.098 816 2HB TYR 99 2HB TYR 99 0.577 8.464 -3.741 817 HD1 TYR 99 HD1 TYR 99 1.397 7.617 -1.627 818 HD2 TYR 99 HD2 TYR 99 4.022 7.987 -4.985 819 HE1 TYR 99 HE1 TYR 99 3.406 7.294 -0.102 820 HE2 TYR 99 HE2 TYR 99 6.021 7.661 -3.449 821 HH TYR 99 HH TYR 99 6.706 7.386 -1.424 822 H ASP 100 H ASP 100 -1.401 5.866 -5.829 823 HA ASP 100 HA ASP 100 -1.055 7.279 -8.354 824 1HB ASP 100 1HB ASP 100 -1.762 4.576 -7.748 825 2HB ASP 100 2HB ASP 100 -3.227 5.330 -8.343 826 HD2 ASP 100 HD ASP 100 -0.141 5.264 -10.915 827 H ASN 101 H ASN 101 -2.010 9.291 -7.575 828 HA ASN 101 HA ASN 101 -4.683 9.065 -6.492 829 1HB ASN 101 1HB ASN 101 -4.350 11.635 -6.221 830 2HB ASN 101 2HB ASN 101 -3.355 10.598 -5.219 831 1HD2 ASN 101 1HD2 ASN 101 -1.420 11.408 -5.020 832 2HD2 ASN 101 2HD2 ASN 101 -0.432 12.096 -6.267 833 H SER 102 H SER 102 -5.874 11.441 -7.342 834 HA SER 102 HA SER 102 -6.209 10.888 -10.143 835 1HB SER 102 1HB SER 102 -8.322 11.158 -9.269 836 2HB SER 102 2HB SER 102 -7.779 12.225 -7.990 837 HG SER 102 HG SER 102 -8.593 13.797 -9.190 838 H LEU 103 H LEU 103 -3.827 12.396 -8.754 839 HA LEU 103 HA LEU 103 -4.084 14.946 -10.163 840 1HB LEU 103 1HB LEU 103 -3.501 14.896 -7.740 841 2HB LEU 103 2HB LEU 103 -2.018 14.056 -8.148 842 HG LEU 103 HG LEU 103 -1.953 16.297 -9.794 843 1HD1 LEU 103 1HD1 LEU 103 -3.059 18.008 -8.917 844 2HD1 LEU 103 2HD1 LEU 103 -3.823 16.878 -7.774 845 3HD1 LEU 103 3HD1 LEU 103 -2.327 17.727 -7.319 846 1HD2 LEU 103 1HD2 LEU 103 0.089 15.918 -8.952 847 2HD2 LEU 103 2HD2 LEU 103 -0.410 17.038 -7.662 848 3HD2 LEU 103 3HD2 LEU 103 -0.549 15.281 -7.417 849 H VAL 104 H VAL 104 -3.269 11.866 -10.914 850 HA VAL 104 HA VAL 104 -1.180 12.794 -12.751 851 HB VAL 104 HB VAL 104 -1.177 10.477 -10.865 852 1HG1 VAL 104 1HG1 VAL 104 0.574 9.366 -12.260 853 2HG1 VAL 104 2HG1 VAL 104 -1.050 9.337 -12.989 854 3HG1 VAL 104 3HG1 VAL 104 0.172 10.486 -13.584 855 1HG2 VAL 104 1HG2 VAL 104 0.617 11.522 -10.048 856 2HG2 VAL 104 2HG2 VAL 104 1.397 11.539 -11.648 857 3HG2 VAL 104 3HG2 VAL 104 0.298 12.858 -11.179 858 H GLU 105 H GLU 105 -4.301 11.767 -12.363 859 HA GLU 105 HA GLU 105 -4.330 10.801 -15.072 860 1HB GLU 105 1HB GLU 105 -5.857 9.202 -13.004 861 2HB GLU 105 2HB GLU 105 -5.440 8.748 -14.644 862 1HG GLU 105 1HG GLU 105 -2.956 8.888 -13.870 863 2HG GLU 105 2HG GLU 105 -3.587 8.935 -12.236 864 HE2 GLU 105 HE GLU 105 -2.463 6.767 -12.144 865 H GLY 106 H GLY 106 -6.083 11.752 -12.076 866 1HA GLY 106 1HA GLY 106 -7.722 13.354 -11.935 867 2HA GLY 106 2HA GLY 106 -7.907 13.350 -13.678 868 H MET 107 H MET 107 -7.774 10.137 -12.464 869 HA MET 107 HA MET 107 -10.661 10.066 -12.130 870 1HB MET 107 1HB MET 107 -8.989 8.186 -13.892 871 2HB MET 107 2HB MET 107 -10.704 7.995 -13.583 872 1HG MET 107 1HG MET 107 -11.268 9.580 -15.130 873 2HG MET 107 2HG MET 107 -10.078 10.715 -14.526 874 1HE MET 107 1HE MET 107 -7.654 9.769 -14.449 875 2HE MET 107 2HE MET 107 -7.283 8.228 -15.257 876 3HE MET 107 3HE MET 107 -6.836 9.767 -16.031 877 H ARG 108 H ARG 108 -7.970 9.773 -10.509 878 HA ARG 108 HA ARG 108 -8.481 7.099 -9.512 879 1HB ARG 108 1HB ARG 108 -6.090 8.728 -9.871 880 2HB ARG 108 2HB ARG 108 -6.229 8.279 -8.182 881 1HG ARG 108 1HG ARG 108 -5.188 6.355 -8.888 882 2HG ARG 108 2HG ARG 108 -6.820 5.870 -9.304 883 1HD ARG 108 1HD ARG 108 -5.871 7.427 -11.511 884 2HD ARG 108 2HD ARG 108 -4.556 6.353 -11.073 885 HE ARG 108 HE ARG 108 -7.222 5.553 -12.072 886 1HH1 ARG 108 2HH2 ARG 108 -4.156 4.504 -10.642 887 2HH1 ARG 108 1HH2 ARG 108 -4.352 2.852 -11.125 888 1HH2 ARG 108 1HH ARG 108 -6.317 2.210 -12.340 Start of MODEL 7 1 H MET 1 H MET 1 -15.026 -10.625 -2.227 2 HA MET 1 HA MET 1 -13.386 -10.593 -3.801 3 1HB MET 1 1HB MET 1 -12.085 -8.353 -3.266 4 2HB MET 1 2HB MET 1 -13.831 -8.284 -3.407 5 1HG MET 1 1HG MET 1 -14.005 -8.543 -0.894 6 2HG MET 1 2HG MET 1 -12.257 -8.500 -0.794 7 1HE MET 1 1HE MET 1 -14.419 -5.050 0.127 8 2HE MET 1 2HE MET 1 -14.842 -6.776 0.232 9 3HE MET 1 3HE MET 1 -13.335 -6.183 0.970 10 H ALA 2 H ALA 2 -12.159 -12.585 -3.357 11 HA ALA 2 HA ALA 2 -9.429 -11.973 -2.728 12 1HB ALA 2 1HB ALA 2 -11.228 -13.275 -0.769 13 2HB ALA 2 2HB ALA 2 -9.711 -14.152 -1.081 14 3HB ALA 2 3HB ALA 2 -9.665 -12.461 -0.523 15 H LYS 3 H LYS 3 -8.370 -14.512 -2.571 16 HA LYS 3 HA LYS 3 -9.635 -16.109 -4.632 17 1HB LYS 3 1HB LYS 3 -8.130 -14.353 -5.735 18 2HB LYS 3 2HB LYS 3 -6.777 -15.202 -5.016 19 1HG LYS 3 1HG LYS 3 -6.849 -16.434 -6.952 20 2HG LYS 3 2HG LYS 3 -8.096 -17.330 -6.105 21 1HD LYS 3 1HD LYS 3 -9.211 -14.931 -7.376 22 2HD LYS 3 2HD LYS 3 -8.377 -15.930 -8.549 23 1HE LYS 3 1HE LYS 3 -9.689 -17.926 -7.753 24 2HE LYS 3 2HE LYS 3 -10.547 -16.895 -6.626 25 1HZ LYS 3 1HZ LYS 3 -10.930 -17.153 -9.462 26 2HZ LYS 3 2HZ LYS 3 -11.959 -16.571 -8.342 27 H GLU 4 H GLU 4 -9.976 -17.606 -2.909 28 HA GLU 4 HA GLU 4 -7.701 -18.464 -1.423 29 1HB GLU 4 1HB GLU 4 -9.352 -20.109 -0.438 30 2HB GLU 4 2HB GLU 4 -9.822 -18.430 -0.275 31 1HG GLU 4 1HG GLU 4 -10.838 -19.371 -2.804 32 2HG GLU 4 2HG GLU 4 -11.248 -20.569 -1.592 33 HE2 GLU 4 HE GLU 4 -12.931 -17.374 -2.365 34 H PHE 5 H PHE 5 -6.250 -19.254 -3.066 35 HA PHE 5 HA PHE 5 -6.962 -21.936 -3.933 36 1HB PHE 5 1HB PHE 5 -7.265 -19.792 -5.638 37 2HB PHE 5 2HB PHE 5 -5.551 -20.077 -5.867 38 HD1 PHE 5 HD1 PHE 5 -4.770 -21.948 -7.123 39 HD2 PHE 5 HD2 PHE 5 -8.899 -21.575 -6.223 40 HE1 PHE 5 HE1 PHE 5 -5.293 -23.768 -8.771 41 HE2 PHE 5 HE2 PHE 5 -9.423 -23.395 -7.871 42 HZ PHE 5 HZ PHE 5 -7.614 -24.469 -9.126 43 H GLY 6 H GLY 6 -5.225 -23.347 -3.882 44 1HA GLY 6 1HA GLY 6 -3.048 -22.974 -2.371 45 2HA GLY 6 2HA GLY 6 -3.067 -24.042 -3.760 46 H ARG 7 H ARG 7 -3.576 -21.643 -5.621 47 HA ARG 7 HA ARG 7 -0.978 -21.264 -6.371 48 1HB ARG 7 1HB ARG 7 -3.606 -20.335 -7.174 49 2HB ARG 7 2HB ARG 7 -2.511 -18.967 -7.202 50 1HG ARG 7 1HG ARG 7 -0.895 -20.756 -8.419 51 2HG ARG 7 2HG ARG 7 -2.425 -21.507 -8.823 52 1HD ARG 7 1HD ARG 7 -2.884 -19.922 -10.393 53 2HD ARG 7 2HD ARG 7 -2.581 -18.619 -9.262 54 HE ARG 7 HE ARG 7 -0.053 -19.697 -9.977 55 1HH1 ARG 7 2HH2 ARG 7 -2.721 -17.970 -11.542 56 2HH1 ARG 7 1HH2 ARG 7 -1.708 -17.229 -12.735 57 1HH2 ARG 7 1HH ARG 7 0.646 -17.683 -12.719 58 HA PRO 8 HA PRO 8 0.396 -17.755 -4.146 59 1HB PRO 8 1HB PRO 8 1.365 -15.960 -5.963 60 2HB PRO 8 2HB PRO 8 2.243 -17.393 -5.471 61 1HG PRO 8 1HG PRO 8 0.800 -16.883 -8.000 62 2HG PRO 8 2HG PRO 8 2.015 -18.097 -7.655 63 1HD PRO 8 1HD PRO 8 -0.817 -18.510 -7.857 64 2HD PRO 8 2HD PRO 8 0.386 -19.700 -7.399 65 H GLN 9 H GLN 9 -2.392 -17.574 -5.705 66 HA GLN 9 HA GLN 9 -2.810 -14.778 -5.466 67 1HB GLN 9 1HB GLN 9 -4.032 -16.859 -6.856 68 2HB GLN 9 2HB GLN 9 -5.213 -16.497 -5.614 69 1HG GLN 9 1HG GLN 9 -5.607 -14.339 -6.406 70 2HG GLN 9 2HG GLN 9 -3.980 -14.149 -7.030 71 1HE2 GLN 9 1HE2 GLN 9 -6.113 -13.387 -8.517 72 2HE2 GLN 9 2HE2 GLN 9 -6.334 -14.423 -9.886 73 H ARG 10 H ARG 10 -3.567 -17.731 -3.562 74 HA ARG 10 HA ARG 10 -5.321 -16.596 -1.797 75 1HB ARG 10 1HB ARG 10 -4.633 -19.074 -2.068 76 2HB ARG 10 2HB ARG 10 -3.238 -18.711 -1.072 77 1HG ARG 10 1HG ARG 10 -6.013 -17.969 -0.098 78 2HG ARG 10 2HG ARG 10 -5.453 -19.623 0.054 79 1HD ARG 10 1HD ARG 10 -3.318 -17.909 0.959 80 2HD ARG 10 2HD ARG 10 -4.796 -17.349 1.716 81 HE ARG 10 HE ARG 10 -4.980 -20.063 2.072 82 1HH1 ARG 10 2HH2 ARG 10 -2.365 -17.763 2.721 83 2HH1 ARG 10 1HH2 ARG 10 -1.718 -18.679 4.041 84 1HH2 ARG 10 1HH ARG 10 -2.771 -20.740 4.666 85 H VAL 11 H VAL 11 -1.708 -16.790 -1.746 86 HA VAL 11 HA VAL 11 -1.510 -15.507 0.794 87 HB VAL 11 HB VAL 11 0.419 -16.280 -1.385 88 1HG1 VAL 11 1HG1 VAL 11 2.271 -15.501 -0.078 89 2HG1 VAL 11 2HG1 VAL 11 1.142 -14.137 -0.272 90 3HG1 VAL 11 3HG1 VAL 11 1.202 -15.030 1.266 91 1HG2 VAL 11 1HG2 VAL 11 1.279 -17.795 0.412 92 2HG2 VAL 11 2HG2 VAL 11 -0.066 -17.258 1.448 93 3HG2 VAL 11 3HG2 VAL 11 -0.402 -18.127 -0.069 94 H ALA 12 H ALA 12 -1.530 -14.530 -2.642 95 HA ALA 12 HA ALA 12 -0.510 -11.953 -2.285 96 1HB ALA 12 1HB ALA 12 -2.432 -13.131 -4.332 97 2HB ALA 12 2HB ALA 12 -1.654 -11.535 -4.480 98 3HB ALA 12 3HB ALA 12 -0.661 -13.014 -4.468 99 H GLN 13 H GLN 13 -3.873 -13.283 -2.179 100 HA GLN 13 HA GLN 13 -5.052 -10.781 -1.792 101 1HB GLN 13 1HB GLN 13 -6.047 -13.582 -1.105 102 2HB GLN 13 2HB GLN 13 -7.051 -12.145 -1.074 103 1HG GLN 13 1HG GLN 13 -6.001 -13.675 -3.410 104 2HG GLN 13 2HG GLN 13 -7.503 -12.789 -3.243 105 1HE2 GLN 13 1HE2 GLN 13 -7.078 -10.325 -2.828 106 2HE2 GLN 13 2HE2 GLN 13 -6.022 -9.555 -3.965 107 H GLU 14 H GLU 14 -4.644 -13.531 0.565 108 HA GLU 14 HA GLU 14 -5.428 -12.346 2.795 109 1HB GLU 14 1HB GLU 14 -3.333 -14.378 2.164 110 2HB GLU 14 2HB GLU 14 -3.236 -13.674 3.768 111 1HG GLU 14 1HG GLU 14 -5.964 -14.516 2.834 112 2HG GLU 14 2HG GLU 14 -4.826 -15.802 3.182 113 HE2 GLU 14 HE GLU 14 -6.805 -13.429 4.999 114 H MET 15 H MET 15 -2.249 -11.855 1.172 115 HA MET 15 HA MET 15 -1.288 -10.189 3.248 116 1HB MET 15 1HB MET 15 -0.427 -11.046 0.475 117 2HB MET 15 2HB MET 15 0.333 -9.610 1.132 118 1HG MET 15 1HG MET 15 1.166 -10.830 3.069 119 2HG MET 15 2HG MET 15 0.193 -12.237 2.681 120 1HE MET 15 1HE MET 15 4.364 -11.455 1.523 121 2HE MET 15 2HE MET 15 3.342 -10.027 1.232 122 3HE MET 15 3HE MET 15 3.337 -10.813 2.828 123 H GLN 16 H GLN 16 -2.965 -9.723 0.117 124 HA GLN 16 HA GLN 16 -2.490 -6.991 -0.075 125 1HB GLN 16 1HB GLN 16 -3.338 -8.571 -1.890 126 2HB GLN 16 2HB GLN 16 -4.918 -8.501 -1.133 127 1HG GLN 16 1HG GLN 16 -3.956 -5.793 -1.420 128 2HG GLN 16 2HG GLN 16 -3.721 -6.608 -2.952 129 1HE2 GLN 16 1HE2 GLN 16 -5.347 -4.962 -3.558 130 2HE2 GLN 16 2HE2 GLN 16 -7.028 -5.362 -3.436 131 H LYS 17 H LYS 17 -4.890 -8.935 1.709 132 HA LYS 17 HA LYS 17 -6.537 -6.678 2.321 133 1HB LYS 17 1HB LYS 17 -7.092 -9.262 2.155 134 2HB LYS 17 2HB LYS 17 -6.635 -9.256 3.847 135 1HG LYS 17 1HG LYS 17 -8.257 -7.001 3.690 136 2HG LYS 17 2HG LYS 17 -9.021 -8.071 2.530 137 1HD LYS 17 1HD LYS 17 -10.061 -8.574 4.628 138 2HD LYS 17 2HD LYS 17 -8.955 -9.902 4.332 139 1HE LYS 17 1HE LYS 17 -7.252 -8.837 5.807 140 2HE LYS 17 2HE LYS 17 -8.317 -7.470 6.073 141 1HZ LYS 17 1HZ LYS 17 -9.544 -10.025 6.644 142 2HZ LYS 17 2HZ LYS 17 -8.282 -9.685 7.616 143 H GLU 18 H GLU 18 -3.952 -8.592 3.944 144 HA GLU 18 HA GLU 18 -4.202 -7.254 6.379 145 1HB GLU 18 1HB GLU 18 -3.060 -9.490 5.951 146 2HB GLU 18 2HB GLU 18 -1.713 -8.609 5.261 147 1HG GLU 18 1HG GLU 18 -0.988 -8.806 7.469 148 2HG GLU 18 2HG GLU 18 -1.792 -7.250 7.547 149 HE2 GLU 18 HE GLU 18 -2.736 -9.689 10.136 150 H ILE 19 H ILE 19 -2.216 -6.706 3.429 151 HA ILE 19 HA ILE 19 -0.731 -4.579 4.605 152 HB ILE 19 HB ILE 19 0.230 -4.308 2.457 153 1HG1 ILE 19 1HG1 ILE 19 -2.151 -5.863 1.424 154 2HG1 ILE 19 2HG1 ILE 19 -1.671 -4.227 1.019 155 1HG2 ILE 19 1HG2 ILE 19 1.387 -6.130 2.985 156 2HG2 ILE 19 2HG2 ILE 19 -0.044 -6.922 3.688 157 3HG2 ILE 19 3HG2 ILE 19 0.277 -7.051 1.941 158 1HD1 ILE 19 1HD1 ILE 19 -0.490 -6.838 0.106 159 2HD1 ILE 19 2HD1 ILE 19 -0.802 -5.350 -0.818 160 3HD1 ILE 19 3HD1 ILE 19 0.604 -5.444 0.270 161 H ALA 20 H ALA 20 -3.526 -4.814 2.315 162 HA ALA 20 HA ALA 20 -3.857 -2.127 1.846 163 1HB ALA 20 1HB ALA 20 -5.069 -3.808 0.605 164 2HB ALA 20 2HB ALA 20 -5.866 -4.399 2.082 165 3HB ALA 20 3HB ALA 20 -6.265 -2.787 1.441 166 H LEU 21 H LEU 21 -4.777 -4.121 4.676 167 HA LEU 21 HA LEU 21 -6.392 -2.119 5.858 168 1HB LEU 21 1HB LEU 21 -6.702 -4.442 6.377 169 2HB LEU 21 2HB LEU 21 -5.049 -4.595 6.941 170 HG LEU 21 HG LEU 21 -6.109 -2.556 8.528 171 1HD1 LEU 21 1HD1 LEU 21 -8.342 -3.522 7.488 172 2HD1 LEU 21 2HD1 LEU 21 -8.114 -4.759 8.747 173 3HD1 LEU 21 3HD1 LEU 21 -8.237 -3.042 9.199 174 1HD2 LEU 21 1HD2 LEU 21 -5.676 -3.999 10.318 175 2HD2 LEU 21 2HD2 LEU 21 -6.046 -5.453 9.361 176 3HD2 LEU 21 3HD2 LEU 21 -4.556 -4.533 9.041 177 H ILE 22 H ILE 22 -3.064 -3.338 6.680 178 HA ILE 22 HA ILE 22 -2.523 -1.330 8.515 179 HB ILE 22 HB ILE 22 -0.642 -2.935 6.780 180 1HG1 ILE 22 1HG1 ILE 22 -1.436 -3.514 9.637 181 2HG1 ILE 22 2HG1 ILE 22 -2.346 -4.151 8.281 182 1HG2 ILE 22 1HG2 ILE 22 -0.038 -1.566 9.411 183 2HG2 ILE 22 2HG2 ILE 22 1.094 -2.413 8.329 184 3HG2 ILE 22 3HG2 ILE 22 0.353 -0.878 7.816 185 1HD1 ILE 22 1HD1 ILE 22 -0.363 -5.288 7.397 186 2HD1 ILE 22 2HD1 ILE 22 0.662 -4.531 8.641 187 3HD1 ILE 22 3HD1 ILE 22 -0.569 -5.728 9.110 188 H LEU 23 H LEU 23 -2.752 -1.254 5.037 189 HA LEU 23 HA LEU 23 -1.124 1.132 4.837 190 1HB LEU 23 1HB LEU 23 -1.252 -0.814 3.161 191 2HB LEU 23 2HB LEU 23 -2.780 -0.118 2.660 192 HG LEU 23 HG LEU 23 -1.582 2.030 2.167 193 1HD1 LEU 23 1HD1 LEU 23 0.741 0.408 3.117 194 2HD1 LEU 23 2HD1 LEU 23 0.993 1.554 1.778 195 3HD1 LEU 23 3HD1 LEU 23 0.374 2.136 3.340 196 1HD2 LEU 23 1HD2 LEU 23 -0.837 1.353 0.032 197 2HD2 LEU 23 2HD2 LEU 23 -0.419 -0.280 0.605 198 3HD2 LEU 23 3HD2 LEU 23 -2.127 0.210 0.482 199 H GLN 24 H GLN 24 -4.380 0.228 5.563 200 HA GLN 24 HA GLN 24 -5.243 2.923 4.857 201 1HB GLN 24 1HB GLN 24 -6.531 0.274 4.657 202 2HB GLN 24 2HB GLN 24 -7.554 1.462 5.440 203 1HG GLN 24 1HG GLN 24 -7.098 3.046 3.506 204 2HG GLN 24 2HG GLN 24 -6.210 1.760 2.712 205 1HE2 GLN 24 1HE2 GLN 24 -7.276 0.551 1.351 206 2HE2 GLN 24 2HE2 GLN 24 -8.985 0.276 1.300 207 H ARG 25 H ARG 25 -4.178 1.002 7.408 208 HA ARG 25 HA ARG 25 -5.860 2.464 9.282 209 1HB ARG 25 1HB ARG 25 -5.185 -0.316 9.128 210 2HB ARG 25 2HB ARG 25 -4.338 0.310 10.528 211 1HG ARG 25 1HG ARG 25 -6.428 -0.271 11.441 212 2HG ARG 25 2HG ARG 25 -6.626 1.445 11.141 213 1HD ARG 25 1HD ARG 25 -8.034 1.106 9.284 214 2HD ARG 25 2HD ARG 25 -7.372 -0.478 8.932 215 HE ARG 25 HE ARG 25 -8.807 -1.444 10.552 216 1HH1 ARG 25 2HH2 ARG 25 -8.997 2.092 10.692 217 2HH1 ARG 25 1HH2 ARG 25 -10.404 2.100 11.702 218 1HH2 ARG 25 1HH ARG 25 -11.367 0.016 12.391 219 H GLU 26 H GLU 26 -2.538 1.004 8.924 220 HA GLU 26 HA GLU 26 -1.452 2.627 10.931 221 1HB GLU 26 1HB GLU 26 0.350 1.274 10.663 222 2HB GLU 26 2HB GLU 26 -0.647 0.374 9.536 223 1HG GLU 26 1HG GLU 26 1.281 0.830 8.256 224 2HG GLU 26 2HG GLU 26 0.179 2.094 7.740 225 HE2 GLU 26 HE GLU 26 3.206 3.065 10.208 226 H ILE 27 H ILE 27 -2.323 3.205 7.628 227 HA ILE 27 HA ILE 27 -0.369 5.306 7.264 228 HB ILE 27 HB ILE 27 -1.746 3.588 5.583 229 1HG1 ILE 27 1HG1 ILE 27 0.086 5.929 5.258 230 2HG1 ILE 27 2HG1 ILE 27 0.356 4.235 4.902 231 1HG2 ILE 27 1HG2 ILE 27 -3.111 4.907 4.135 232 2HG2 ILE 27 2HG2 ILE 27 -3.717 5.119 5.796 233 3HG2 ILE 27 3HG2 ILE 27 -2.735 6.396 5.036 234 1HD1 ILE 27 1HD1 ILE 27 -1.491 6.084 3.321 235 2HD1 ILE 27 2HD1 ILE 27 0.139 5.575 2.819 236 3HD1 ILE 27 3HD1 ILE 27 -1.169 4.373 2.949 237 H LYS 28 H LYS 28 -1.529 7.425 6.196 238 HA LYS 28 HA LYS 28 -3.327 8.316 8.324 239 1HB LYS 28 1HB LYS 28 -2.637 10.590 7.622 240 2HB LYS 28 2HB LYS 28 -1.301 9.599 8.167 241 1HG LYS 28 1HG LYS 28 -1.615 9.154 5.334 242 2HG LYS 28 2HG LYS 28 -1.644 10.886 5.606 243 1HD LYS 28 1HD LYS 28 0.651 10.596 5.485 244 2HD LYS 28 2HD LYS 28 0.445 10.323 7.203 245 1HE LYS 28 1HE LYS 28 0.309 7.857 6.799 246 2HE LYS 28 2HE LYS 28 0.501 8.126 5.079 247 1HZ LYS 28 1HZ LYS 28 2.562 9.408 6.615 248 2HZ LYS 28 2HZ LYS 28 2.548 7.796 6.849 249 H ASP 29 H ASP 29 -5.068 7.006 7.220 250 HA ASP 29 HA ASP 29 -5.906 8.026 4.690 251 1HB ASP 29 1HB ASP 29 -6.668 5.880 4.676 252 2HB ASP 29 2HB ASP 29 -6.483 5.732 6.413 253 HD2 ASP 29 HD ASP 29 -8.879 5.211 7.222 254 HA PRO 30 HA PRO 30 -9.304 9.584 7.676 255 1HB PRO 30 1HB PRO 30 -8.904 9.414 10.374 256 2HB PRO 30 2HB PRO 30 -9.812 8.224 9.462 257 1HG PRO 30 1HG PRO 30 -7.078 8.021 10.571 258 2HG PRO 30 2HG PRO 30 -8.147 6.736 10.044 259 1HD PRO 30 1HD PRO 30 -5.887 7.781 8.620 260 2HD PRO 30 2HD PRO 30 -7.025 6.578 8.044 261 H ARG 31 H ARG 31 -6.005 10.133 8.078 262 HA ARG 31 HA ARG 31 -6.368 12.628 9.380 263 1HB ARG 31 1HB ARG 31 -4.185 10.859 8.783 264 2HB ARG 31 2HB ARG 31 -3.793 12.398 8.042 265 1HG ARG 31 1HG ARG 31 -3.904 13.572 10.121 266 2HG ARG 31 2HG ARG 31 -4.816 12.294 10.900 267 1HD ARG 31 1HD ARG 31 -2.853 10.799 10.864 268 2HD ARG 31 2HD ARG 31 -1.936 11.962 9.928 269 HE ARG 31 HE ARG 31 -2.936 13.128 12.400 270 1HH1 ARG 31 2HH2 ARG 31 -0.351 11.111 11.059 271 2HH1 ARG 31 1HH2 ARG 31 0.772 11.491 12.322 272 1HH2 ARG 31 1HH ARG 31 0.101 12.975 14.080 273 H LEU 32 H LEU 32 -5.689 11.423 6.046 274 HA LEU 32 HA LEU 32 -5.374 14.021 4.944 275 1HB LEU 32 1HB LEU 32 -5.963 11.376 3.605 276 2HB LEU 32 2HB LEU 32 -5.445 12.844 2.800 277 HG LEU 32 HG LEU 32 -3.726 11.685 4.972 278 1HD1 LEU 32 1HD1 LEU 32 -4.452 9.876 3.290 279 2HD1 LEU 32 2HD1 LEU 32 -3.441 10.757 2.121 280 3HD1 LEU 32 3HD1 LEU 32 -2.714 10.092 3.604 281 1HD2 LEU 32 1HD2 LEU 32 -2.775 12.918 2.408 282 2HD2 LEU 32 2HD2 LEU 32 -3.406 13.951 3.713 283 3HD2 LEU 32 3HD2 LEU 32 -2.009 12.889 4.014 284 H GLY 33 H GLY 33 -8.092 11.992 5.838 285 1HA GLY 33 1HA GLY 33 -10.273 12.679 5.994 286 2HA GLY 33 2HA GLY 33 -9.916 14.097 5.027 287 H MET 34 H MET 34 -8.899 10.833 4.005 288 HA MET 34 HA MET 34 -11.178 10.660 2.242 289 1HB MET 34 1HB MET 34 -8.255 10.908 1.380 290 2HB MET 34 2HB MET 34 -9.433 10.134 0.340 291 1HG MET 34 1HG MET 34 -9.577 12.335 -0.434 292 2HG MET 34 2HG MET 34 -10.852 12.345 0.766 293 1HE MET 34 1HE MET 34 -7.119 14.626 0.425 294 2HE MET 34 2HE MET 34 -6.610 13.099 1.186 295 3HE MET 34 3HE MET 34 -7.524 13.072 -0.342 296 H MET 35 H MET 35 -10.919 8.489 0.856 297 HA MET 35 HA MET 35 -9.827 6.515 2.710 298 1HB MET 35 1HB MET 35 -12.453 6.805 2.090 299 2HB MET 35 2HB MET 35 -11.993 5.853 0.693 300 1HG MET 35 1HG MET 35 -11.014 4.110 2.235 301 2HG MET 35 2HG MET 35 -11.556 5.050 3.610 302 1HE MET 35 1HE MET 35 -13.372 5.161 4.558 303 2HE MET 35 2HE MET 35 -15.027 4.927 3.945 304 3HE MET 35 3HE MET 35 -14.136 3.556 4.648 305 H THR 36 H THR 36 -7.887 5.834 1.868 306 HA THR 36 HA THR 36 -7.408 5.831 -0.946 307 HB THR 36 HB THR 36 -5.216 4.830 -0.162 308 HG1 THR 36 HG1 THR 36 -5.870 3.629 1.656 309 1HG2 THR 36 1HG2 THR 36 -5.874 6.936 1.901 310 2HG2 THR 36 2HG2 THR 36 -4.428 6.780 0.875 311 3HG2 THR 36 3HG2 THR 36 -5.944 7.406 0.186 312 H THR 37 H THR 37 -6.757 3.935 -2.220 313 HA THR 37 HA THR 37 -8.011 1.455 -1.281 314 HB THR 37 HB THR 37 -8.628 3.070 -3.789 315 HG1 THR 37 HG1 THR 37 -10.057 1.544 -1.726 316 1HG2 THR 37 1HG2 THR 37 -8.217 0.806 -4.651 317 2HG2 THR 37 2HG2 THR 37 -9.086 0.086 -3.274 318 3HG2 THR 37 3HG2 THR 37 -9.975 1.028 -4.494 319 H VAL 38 H VAL 38 -7.333 -0.461 -2.586 320 HA VAL 38 HA VAL 38 -4.585 -0.026 -3.533 321 HB VAL 38 HB VAL 38 -5.814 -2.422 -2.154 322 1HG1 VAL 38 1HG1 VAL 38 -2.882 -2.050 -2.772 323 2HG1 VAL 38 2HG1 VAL 38 -3.759 -3.536 -2.333 324 3HG1 VAL 38 3HG1 VAL 38 -3.988 -2.810 -3.941 325 1HG2 VAL 38 1HG2 VAL 38 -5.372 -1.287 -0.277 326 2HG2 VAL 38 2HG2 VAL 38 -3.647 -1.512 -0.659 327 3HG2 VAL 38 3HG2 VAL 38 -4.483 -0.022 -1.159 328 H SER 39 H SER 39 -5.199 0.356 -5.718 329 HA SER 39 HA SER 39 -6.803 -1.678 -6.968 330 1HB SER 39 1HB SER 39 -6.387 1.077 -7.398 331 2HB SER 39 2HB SER 39 -5.599 0.311 -8.763 332 HG SER 39 HG SER 39 -8.350 0.328 -8.030 333 H GLY 40 H GLY 40 -4.002 -2.178 -5.852 334 1HA GLY 40 1HA GLY 40 -3.045 -3.801 -7.969 335 2HA GLY 40 2HA GLY 40 -2.077 -2.346 -7.845 336 H VAL 41 H VAL 41 -1.672 -5.363 -7.127 337 HA VAL 41 HA VAL 41 -0.251 -4.789 -4.675 338 HB VAL 41 HB VAL 41 -2.333 -5.442 -3.748 339 1HG1 VAL 41 1HG1 VAL 41 -2.478 -7.178 -6.083 340 2HG1 VAL 41 2HG1 VAL 41 -2.879 -8.052 -4.584 341 3HG1 VAL 41 3HG1 VAL 41 -3.777 -6.579 -5.023 342 1HG2 VAL 41 1HG2 VAL 41 -1.160 -8.120 -3.481 343 2HG2 VAL 41 2HG2 VAL 41 0.018 -6.805 -3.261 344 3HG2 VAL 41 3HG2 VAL 41 -1.447 -6.864 -2.253 345 H GLU 42 H GLU 42 1.749 -5.665 -4.848 346 HA GLU 42 HA GLU 42 1.981 -8.104 -6.397 347 1HB GLU 42 1HB GLU 42 3.652 -5.595 -6.852 348 2HB GLU 42 2HB GLU 42 4.047 -7.165 -7.521 349 1HG GLU 42 1HG GLU 42 1.237 -6.401 -8.027 350 2HG GLU 42 2HG GLU 42 2.373 -5.247 -8.697 351 HE2 GLU 42 HE GLU 42 1.832 -7.050 -11.249 352 H MET 43 H MET 43 3.513 -9.551 -5.572 353 HA MET 43 HA MET 43 5.283 -8.507 -3.526 354 1HB MET 43 1HB MET 43 4.060 -11.177 -2.941 355 2HB MET 43 2HB MET 43 4.415 -9.861 -1.838 356 1HG MET 43 1HG MET 43 2.420 -8.618 -3.033 357 2HG MET 43 2HG MET 43 1.982 -10.207 -3.625 358 1HE MET 43 1HE MET 43 1.374 -8.204 0.188 359 2HE MET 43 2HE MET 43 1.492 -7.709 -1.517 360 3HE MET 43 3HE MET 43 0.003 -8.477 -0.914 361 H SER 44 H SER 44 7.267 -8.951 -4.415 362 HA SER 44 HA SER 44 7.538 -11.521 -5.746 363 1HB SER 44 1HB SER 44 8.416 -8.894 -6.403 364 2HB SER 44 2HB SER 44 9.867 -9.785 -5.982 365 HG SER 44 HG SER 44 9.642 -11.079 -7.712 366 H ARG 45 H ARG 45 8.222 -13.094 -4.325 367 HA ARG 45 HA ARG 45 10.057 -12.259 -2.248 368 1HB ARG 45 1HB ARG 45 8.137 -14.563 -2.606 369 2HB ARG 45 2HB ARG 45 9.530 -14.821 -1.573 370 1HG ARG 45 1HG ARG 45 8.391 -13.796 0.098 371 2HG ARG 45 2HG ARG 45 8.559 -12.291 -0.785 372 1HD ARG 45 1HD ARG 45 6.158 -12.931 -0.170 373 2HD ARG 45 2HD ARG 45 6.417 -12.558 -1.862 374 HE ARG 45 HE ARG 45 6.026 -14.813 -2.417 375 1HH1 ARG 45 2HH2 ARG 45 6.406 -14.503 1.093 376 2HH1 ARG 45 1HH2 ARG 45 5.877 -16.121 1.418 377 1HH2 ARG 45 1HH ARG 45 5.249 -17.540 -0.410 378 H ASP 46 H ASP 46 10.063 -13.568 -5.371 379 HA ASP 46 HA ASP 46 11.672 -15.708 -5.350 380 1HB ASP 46 1HB ASP 46 11.016 -13.549 -7.203 381 2HB ASP 46 2HB ASP 46 12.688 -14.026 -7.421 382 HD2 ASP 46 HD ASP 46 9.751 -16.072 -8.895 383 H LEU 47 H LEU 47 12.401 -12.390 -4.421 384 HA LEU 47 HA LEU 47 15.121 -13.189 -3.781 385 1HB LEU 47 1HB LEU 47 14.390 -11.317 -5.906 386 2HB LEU 47 2HB LEU 47 15.478 -10.620 -4.722 387 HG LEU 47 HG LEU 47 16.939 -11.467 -6.292 388 1HD1 LEU 47 1HD1 LEU 47 16.864 -14.016 -4.746 389 2HD1 LEU 47 2HD1 LEU 47 18.234 -12.953 -5.153 390 3HD1 LEU 47 3HD1 LEU 47 17.111 -12.496 -3.850 391 1HD2 LEU 47 1HD2 LEU 47 16.486 -14.042 -7.007 392 2HD2 LEU 47 2HD2 LEU 47 14.817 -13.464 -6.776 393 3HD2 LEU 47 3HD2 LEU 47 15.899 -12.628 -7.915 394 H ALA 48 H ALA 48 13.214 -10.097 -3.883 395 HA ALA 48 HA ALA 48 12.345 -10.025 -1.321 396 1HB ALA 48 1HB ALA 48 14.412 -10.255 -0.270 397 2HB ALA 48 2HB ALA 48 15.276 -9.357 -1.540 398 3HB ALA 48 3HB ALA 48 14.264 -8.484 -0.365 399 H TYR 49 H TYR 49 11.115 -9.121 -3.411 400 HA TYR 49 HA TYR 49 11.258 -6.233 -3.124 401 1HB TYR 49 1HB TYR 49 11.022 -7.536 -5.873 402 2HB TYR 49 2HB TYR 49 11.580 -5.917 -5.498 403 HD1 TYR 49 HD1 TYR 49 13.798 -5.997 -3.850 404 HD2 TYR 49 HD2 TYR 49 12.635 -8.969 -6.699 405 HE1 TYR 49 HE1 TYR 49 16.204 -6.800 -4.005 406 HE2 TYR 49 HE2 TYR 49 15.046 -9.763 -6.845 407 HH TYR 49 HH TYR 49 17.625 -7.974 -5.341 408 H ALA 50 H ALA 50 9.236 -5.351 -3.026 409 HA ALA 50 HA ALA 50 7.048 -6.890 -4.214 410 1HB ALA 50 1HB ALA 50 6.329 -7.498 -2.172 411 2HB ALA 50 2HB ALA 50 7.604 -6.538 -1.384 412 3HB ALA 50 3HB ALA 50 6.055 -5.776 -1.817 413 H LYS 51 H LYS 51 5.064 -5.526 -4.512 414 HA LYS 51 HA LYS 51 5.605 -2.667 -4.427 415 1HB LYS 51 1HB LYS 51 4.445 -3.625 -6.983 416 2HB LYS 51 2HB LYS 51 5.517 -2.277 -6.662 417 1HG LYS 51 1HG LYS 51 7.374 -3.996 -6.212 418 2HG LYS 51 2HG LYS 51 6.278 -5.229 -6.808 419 1HD LYS 51 1HD LYS 51 6.846 -4.721 -8.940 420 2HD LYS 51 2HD LYS 51 6.241 -3.091 -8.724 421 1HE LYS 51 1HE LYS 51 8.357 -2.216 -8.199 422 2HE LYS 51 2HE LYS 51 8.956 -3.741 -7.581 423 1HZ LYS 51 1HZ LYS 51 9.385 -4.510 -9.718 424 2HZ LYS 51 2HZ LYS 51 8.294 -3.544 -10.442 425 H VAL 52 H VAL 52 3.940 -1.805 -3.322 426 HA VAL 52 HA VAL 52 1.324 -3.105 -3.660 427 HB VAL 52 HB VAL 52 2.666 -3.053 -1.392 428 1HG1 VAL 52 1HG1 VAL 52 3.060 -0.668 -1.285 429 2HG1 VAL 52 2HG1 VAL 52 1.319 -0.332 -1.443 430 3HG1 VAL 52 3HG1 VAL 52 1.943 -1.129 0.022 431 1HG2 VAL 52 1HG2 VAL 52 0.677 -3.515 -0.296 432 2HG2 VAL 52 2HG2 VAL 52 -0.228 -2.261 -1.177 433 3HG2 VAL 52 3HG2 VAL 52 0.219 -3.777 -1.996 434 H TYR 53 H TYR 53 -0.125 -1.932 -4.795 435 HA TYR 53 HA TYR 53 0.468 0.843 -5.333 436 1HB TYR 53 1HB TYR 53 -0.375 -0.930 -6.997 437 2HB TYR 53 2HB TYR 53 -1.854 -1.050 -6.066 438 HD1 TYR 53 HD1 TYR 53 -3.347 1.024 -5.878 439 HD2 TYR 53 HD2 TYR 53 -0.125 0.720 -8.678 440 HE1 TYR 53 HE1 TYR 53 -4.363 2.899 -7.263 441 HE2 TYR 53 HE2 TYR 53 -1.152 2.596 -10.053 442 HH TYR 53 HH TYR 53 -3.980 3.441 -10.114 443 H VAL 54 H VAL 54 -1.077 2.591 -4.999 444 HA VAL 54 HA VAL 54 -3.324 2.107 -3.291 445 HB VAL 54 HB VAL 54 -1.723 4.098 -1.965 446 1HG1 VAL 54 1HG1 VAL 54 -2.268 2.795 0.007 447 2HG1 VAL 54 2HG1 VAL 54 -3.698 2.896 -1.049 448 3HG1 VAL 54 3HG1 VAL 54 -2.733 1.402 -1.000 449 1HG2 VAL 54 1HG2 VAL 54 0.098 2.779 -1.121 450 2HG2 VAL 54 2HG2 VAL 54 -0.477 1.331 -1.983 451 3HG2 VAL 54 3HG2 VAL 54 0.160 2.719 -2.898 452 H THR 55 H THR 55 -4.889 3.587 -3.775 453 HA THR 55 HA THR 55 -3.990 5.978 -5.248 454 HB THR 55 HB THR 55 -5.203 4.858 -6.888 455 HG1 THR 55 HG1 THR 55 -7.416 5.650 -5.150 456 1HG2 THR 55 1HG2 THR 55 -6.918 3.648 -4.653 457 2HG2 THR 55 2HG2 THR 55 -7.111 3.318 -6.392 458 3HG2 THR 55 3HG2 THR 55 -5.637 2.792 -5.545 459 H PHE 56 H PHE 56 -4.524 7.943 -4.487 460 HA PHE 56 HA PHE 56 -6.458 7.964 -2.277 461 1HB PHE 56 1HB PHE 56 -4.149 9.921 -2.733 462 2HB PHE 56 2HB PHE 56 -5.006 9.623 -1.233 463 HD1 PHE 56 HD1 PHE 56 -1.955 9.569 -1.873 464 HD2 PHE 56 HD2 PHE 56 -4.900 6.542 -1.461 465 HE1 PHE 56 HE1 PHE 56 -0.179 7.935 -1.184 466 HE2 PHE 56 HE2 PHE 56 -3.125 4.909 -0.770 467 HZ PHE 56 HZ PHE 56 -0.785 5.624 -0.640 468 H LEU 57 H LEU 57 -7.597 10.084 -1.979 469 HA LEU 57 HA LEU 57 -8.066 11.290 -4.607 470 1HB LEU 57 1HB LEU 57 -9.922 10.089 -3.407 471 2HB LEU 57 2HB LEU 57 -9.852 11.335 -2.176 472 HG LEU 57 HG LEU 57 -10.096 12.845 -4.455 473 1HD1 LEU 57 1HD1 LEU 57 -12.208 11.584 -5.477 474 2HD1 LEU 57 2HD1 LEU 57 -10.557 11.343 -6.099 475 3HD1 LEU 57 3HD1 LEU 57 -11.268 10.156 -4.979 476 1HD2 LEU 57 1HD2 LEU 57 -12.465 13.124 -3.775 477 2HD2 LEU 57 2HD2 LEU 57 -12.277 11.748 -2.661 478 3HD2 LEU 57 3HD2 LEU 57 -11.322 13.229 -2.414 479 H ASN 58 H ASN 58 -5.764 11.900 -2.811 480 HA ASN 58 HA ASN 58 -6.318 14.250 -1.424 481 1HB ASN 58 1HB ASN 58 -3.964 12.647 -2.182 482 2HB ASN 58 2HB ASN 58 -3.603 14.360 -2.254 483 1HD2 ASN 58 1HD2 ASN 58 -5.212 15.396 -0.304 484 2HD2 ASN 58 2HD2 ASN 58 -4.727 14.835 1.262 485 H ASP 59 H ASP 59 -5.743 13.436 -4.812 486 HA ASP 59 HA ASP 59 -4.598 15.556 -5.902 487 1HB ASP 59 1HB ASP 59 -5.335 13.862 -7.383 488 2HB ASP 59 2HB ASP 59 -6.971 13.887 -6.757 489 HD2 ASP 59 HD ASP 59 -5.670 16.849 -9.033 490 H LYS 60 H LYS 60 -7.969 15.294 -4.652 491 HA LYS 60 HA LYS 60 -9.204 17.458 -5.621 492 1HB LYS 60 1HB LYS 60 -9.283 15.978 -3.065 493 2HB LYS 60 2HB LYS 60 -9.956 17.594 -2.992 494 1HG LYS 60 1HG LYS 60 -10.851 16.347 -5.449 495 2HG LYS 60 2HG LYS 60 -11.136 15.229 -4.130 496 1HD LYS 60 1HD LYS 60 -11.908 18.143 -3.806 497 2HD LYS 60 2HD LYS 60 -12.949 17.075 -4.724 498 1HE LYS 60 1HE LYS 60 -12.056 15.923 -2.134 499 2HE LYS 60 2HE LYS 60 -13.008 17.385 -1.960 500 1HZ LYS 60 1HZ LYS 60 -14.457 15.458 -2.054 501 2HZ LYS 60 2HZ LYS 60 -14.713 16.342 -3.398 502 H ASP 61 H ASP 61 -6.681 17.449 -3.044 503 HA ASP 61 HA ASP 61 -6.495 20.322 -3.497 504 1HB ASP 61 1HB ASP 61 -5.602 19.177 -0.869 505 2HB ASP 61 2HB ASP 61 -6.289 20.752 -1.213 506 HD2 ASP 61 HD ASP 61 -8.342 20.966 -0.570 507 H GLU 62 H GLU 62 -4.472 20.793 -4.370 508 HA GLU 62 HA GLU 62 -2.508 18.814 -4.538 509 1HB GLU 62 1HB GLU 62 -2.944 20.793 -6.126 510 2HB GLU 62 2HB GLU 62 -2.096 21.800 -4.969 511 1HG GLU 62 1HG GLU 62 -0.116 20.199 -5.139 512 2HG GLU 62 2HG GLU 62 -0.966 19.363 -6.424 513 HE2 GLU 62 HE GLU 62 -0.359 20.370 -8.553 514 H ASP 63 H ASP 63 -3.349 21.113 -2.070 515 HA ASP 63 HA ASP 63 -0.759 21.451 -1.025 516 1HB ASP 63 1HB ASP 63 -3.323 22.514 -0.574 517 2HB ASP 63 2HB ASP 63 -2.980 21.652 0.912 518 HD2 ASP 63 HD ASP 63 -1.911 25.165 0.282 519 H ALA 64 H ALA 64 -3.591 19.292 -0.403 520 HA ALA 64 HA ALA 64 -2.288 17.988 1.805 521 1HB ALA 64 1HB ALA 64 -4.335 16.690 1.912 522 2HB ALA 64 2HB ALA 64 -4.765 18.395 1.637 523 3HB ALA 64 3HB ALA 64 -4.817 17.236 0.288 524 H VAL 65 H VAL 65 -2.363 17.756 -1.675 525 HA VAL 65 HA VAL 65 -1.760 14.962 -1.774 526 HB VAL 65 HB VAL 65 -2.751 16.818 -3.513 527 1HG1 VAL 65 1HG1 VAL 65 -0.426 17.732 -3.813 528 2HG1 VAL 65 2HG1 VAL 65 0.034 16.168 -4.528 529 3HG1 VAL 65 3HG1 VAL 65 -1.205 17.176 -5.314 530 1HG2 VAL 65 1HG2 VAL 65 -1.891 14.792 -5.193 531 2HG2 VAL 65 2HG2 VAL 65 -1.909 14.013 -3.593 532 3HG2 VAL 65 3HG2 VAL 65 -3.383 14.786 -4.223 533 H LYS 66 H LYS 66 0.044 18.076 -1.880 534 HA LYS 66 HA LYS 66 2.537 16.766 -2.353 535 1HB LYS 66 1HB LYS 66 1.650 19.257 -2.826 536 2HB LYS 66 2HB LYS 66 2.413 19.545 -1.276 537 1HG LYS 66 1HG LYS 66 4.396 19.667 -2.372 538 2HG LYS 66 2HG LYS 66 4.279 17.939 -2.640 539 1HD LYS 66 1HD LYS 66 3.563 18.178 -4.840 540 2HD LYS 66 2HD LYS 66 2.721 19.680 -4.522 541 1HE LYS 66 1HE LYS 66 4.648 20.223 -5.887 542 2HE LYS 66 2HE LYS 66 4.975 20.826 -4.275 543 1HZ LYS 66 1HZ LYS 66 6.541 19.053 -5.695 544 2HZ LYS 66 2HZ LYS 66 6.734 19.453 -4.128 545 H ALA 67 H ALA 67 0.924 18.338 0.488 546 HA ALA 67 HA ALA 67 3.026 17.711 2.261 547 1HB ALA 67 1HB ALA 67 1.560 18.565 3.935 548 2HB ALA 67 2HB ALA 67 1.196 19.498 2.463 549 3HB ALA 67 3HB ALA 67 0.113 18.179 2.974 550 H GLY 68 H GLY 68 -0.199 16.191 1.580 551 1HA GLY 68 1HA GLY 68 -0.077 14.133 3.422 552 2HA GLY 68 2HA GLY 68 -0.932 14.091 1.894 553 H ILE 69 H ILE 69 0.766 13.927 -0.117 554 HA ILE 69 HA ILE 69 1.797 11.378 -0.013 555 HB ILE 69 HB ILE 69 1.202 12.895 -1.992 556 1HG1 ILE 69 1HG1 ILE 69 3.713 11.477 -2.667 557 2HG1 ILE 69 2HG1 ILE 69 2.530 10.525 -1.792 558 1HG2 ILE 69 1HG2 ILE 69 4.143 13.578 -1.910 559 2HG2 ILE 69 2HG2 ILE 69 2.880 14.208 -2.995 560 3HG2 ILE 69 3HG2 ILE 69 2.884 14.665 -1.274 561 1HD1 ILE 69 1HD1 ILE 69 1.078 12.010 -3.765 562 2HD1 ILE 69 2HD1 ILE 69 2.502 11.312 -4.572 563 3HD1 ILE 69 3HD1 ILE 69 1.361 10.254 -3.709 564 H LYS 70 H LYS 70 3.317 14.535 0.746 565 HA LYS 70 HA LYS 70 5.945 13.593 0.897 566 1HB LYS 70 1HB LYS 70 5.523 15.935 0.715 567 2HB LYS 70 2HB LYS 70 4.517 15.947 2.150 568 1HG LYS 70 1HG LYS 70 6.504 15.290 3.538 569 2HG LYS 70 2HG LYS 70 7.506 15.315 2.100 570 1HD LYS 70 1HD LYS 70 6.042 17.813 2.242 571 2HD LYS 70 2HD LYS 70 6.792 17.521 3.798 572 1HE LYS 70 1HE LYS 70 8.765 18.228 2.930 573 2HE LYS 70 2HE LYS 70 8.777 16.815 1.894 574 1HZ LYS 70 1HZ LYS 70 7.855 19.531 1.243 575 2HZ LYS 70 2HZ LYS 70 8.811 18.544 0.368 576 H ALA 71 H ALA 71 3.183 13.481 3.149 577 HA ALA 71 HA ALA 71 4.807 12.666 5.364 578 1HB ALA 71 1HB ALA 71 2.637 13.944 5.515 579 2HB ALA 71 2HB ALA 71 1.794 12.471 4.980 580 3HB ALA 71 3HB ALA 71 2.690 12.476 6.519 581 H LEU 72 H LEU 72 2.719 11.109 2.874 582 HA LEU 72 HA LEU 72 2.885 8.534 4.004 583 1HB LEU 72 1HB LEU 72 1.372 9.715 2.107 584 2HB LEU 72 2HB LEU 72 2.495 8.840 1.085 585 HG LEU 72 HG LEU 72 1.521 7.110 3.192 586 1HD1 LEU 72 1HD1 LEU 72 -0.572 7.852 3.425 587 2HD1 LEU 72 2HD1 LEU 72 -0.454 8.919 2.006 588 3HD1 LEU 72 3HD1 LEU 72 -0.849 7.197 1.793 589 1HD2 LEU 72 1HD2 LEU 72 1.952 7.107 0.291 590 2HD2 LEU 72 2HD2 LEU 72 2.177 5.815 1.492 591 3HD2 LEU 72 3HD2 LEU 72 0.561 6.128 0.815 592 H GLN 73 H GLN 73 5.125 10.540 2.246 593 HA GLN 73 HA GLN 73 6.610 8.303 1.258 594 1HB GLN 73 1HB GLN 73 6.398 11.032 0.591 595 2HB GLN 73 2HB GLN 73 8.013 10.883 1.251 596 1HG GLN 73 1HG GLN 73 8.114 8.707 -0.301 597 2HG GLN 73 2HG GLN 73 6.818 9.512 -1.164 598 1HE2 GLN 73 1HE2 GLN 73 10.162 9.594 -0.217 599 2HE2 GLN 73 2HE2 GLN 73 10.700 10.848 -1.287 600 H GLU 74 H GLU 74 7.014 10.903 3.757 601 HA GLU 74 HA GLU 74 9.486 10.038 4.634 602 1HB GLU 74 1HB GLU 74 9.228 11.603 6.370 603 2HB GLU 74 2HB GLU 74 8.178 12.241 5.121 604 1HG GLU 74 1HG GLU 74 6.614 12.290 6.797 605 2HG GLU 74 2HG GLU 74 6.407 10.596 6.402 606 HE2 GLU 74 HE GLU 74 6.892 12.208 9.388 607 H ALA 75 H ALA 75 6.217 8.836 5.215 608 HA ALA 75 HA ALA 75 7.154 7.193 7.436 609 1HB ALA 75 1HB ALA 75 4.376 6.848 6.577 610 2HB ALA 75 2HB ALA 75 5.024 7.333 8.162 611 3HB ALA 75 3HB ALA 75 4.772 8.554 6.893 612 H SER 76 H SER 76 7.809 6.996 4.372 613 HA SER 76 HA SER 76 6.548 4.816 3.323 614 1HB SER 76 1HB SER 76 8.699 4.526 1.986 615 2HB SER 76 2HB SER 76 7.986 6.125 1.923 616 HG SER 76 HG SER 76 10.479 5.471 2.686 617 H GLY 77 H GLY 77 9.946 4.694 4.616 618 1HA GLY 77 1HA GLY 77 10.130 1.971 4.910 619 2HA GLY 77 2HA GLY 77 11.016 3.151 5.854 620 H PHE 78 H PHE 78 8.224 4.256 6.783 621 HA PHE 78 HA PHE 78 8.164 2.723 9.169 622 1HB PHE 78 1HB PHE 78 7.074 5.191 7.967 623 2HB PHE 78 2HB PHE 78 5.820 4.357 8.864 624 HD1 PHE 78 HD1 PHE 78 8.430 6.676 9.100 625 HD2 PHE 78 HD2 PHE 78 6.550 3.563 11.285 626 HE1 PHE 78 HE1 PHE 78 9.320 7.641 11.240 627 HE2 PHE 78 HE2 PHE 78 7.440 4.528 13.426 628 HZ PHE 78 HZ PHE 78 8.814 6.555 13.377 629 H ILE 79 H ILE 79 5.946 3.134 6.334 630 HA ILE 79 HA ILE 79 3.970 1.413 7.367 631 HB ILE 79 HB ILE 79 3.206 1.403 4.960 632 1HG1 ILE 79 1HG1 ILE 79 5.326 3.510 4.531 633 2HG1 ILE 79 2HG1 ILE 79 5.599 1.831 4.112 634 1HG2 ILE 79 1HG2 ILE 79 2.059 2.922 6.226 635 2HG2 ILE 79 2HG2 ILE 79 3.525 3.813 6.698 636 3HG2 ILE 79 3HG2 ILE 79 2.847 4.015 5.064 637 1HD1 ILE 79 1HD1 ILE 79 4.744 2.674 2.101 638 2HD1 ILE 79 2HD1 ILE 79 3.267 2.041 2.866 639 3HD1 ILE 79 3HD1 ILE 79 3.624 3.784 2.926 640 H ARG 80 H ARG 80 6.870 0.949 5.299 641 HA ARG 80 HA ARG 80 6.286 -1.642 4.561 642 1HB ARG 80 1HB ARG 80 8.040 -0.439 3.407 643 2HB ARG 80 2HB ARG 80 8.909 -0.125 4.896 644 1HG ARG 80 1HG ARG 80 8.993 -2.785 5.065 645 2HG ARG 80 2HG ARG 80 8.689 -2.712 3.340 646 1HD ARG 80 1HD ARG 80 10.995 -2.583 3.249 647 2HD ARG 80 2HD ARG 80 10.680 -0.873 3.463 648 HE ARG 80 HE ARG 80 10.879 -2.306 6.004 649 1HH1 ARG 80 2HH2 ARG 80 12.749 -0.696 3.461 650 2HH1 ARG 80 1HH2 ARG 80 14.101 -0.365 4.492 651 1HH2 ARG 80 1HH ARG 80 14.027 -1.064 6.783 652 H SER 81 H SER 81 8.113 -0.274 7.368 653 HA SER 81 HA SER 81 8.817 -2.817 8.357 654 1HB SER 81 1HB SER 81 9.634 -0.218 8.830 655 2HB SER 81 2HB SER 81 8.714 -0.555 10.284 656 HG SER 81 HG SER 81 11.008 -1.149 10.424 657 H LEU 82 H LEU 82 6.024 -0.669 8.616 658 HA LEU 82 HA LEU 82 4.998 -1.657 11.039 659 1HB LEU 82 1HB LEU 82 4.418 0.481 9.830 660 2HB LEU 82 2HB LEU 82 3.457 -0.483 8.728 661 HG LEU 82 HG LEU 82 1.794 0.077 10.142 662 1HD1 LEU 82 1HD1 LEU 82 3.039 -2.152 11.777 663 2HD1 LEU 82 2HD1 LEU 82 1.344 -1.611 11.849 664 3HD1 LEU 82 3HD1 LEU 82 1.980 -2.354 10.361 665 1HD2 LEU 82 1HD2 LEU 82 3.757 1.293 11.565 666 2HD2 LEU 82 2HD2 LEU 82 2.046 1.239 12.051 667 3HD2 LEU 82 3HD2 LEU 82 3.205 0.074 12.737 668 H LEU 83 H LEU 83 4.606 -2.631 7.591 669 HA LEU 83 HA LEU 83 2.659 -4.598 8.153 670 1HB LEU 83 1HB LEU 83 4.532 -4.532 5.793 671 2HB LEU 83 2HB LEU 83 2.939 -5.256 5.892 672 HG LEU 83 HG LEU 83 2.937 -2.370 6.450 673 1HD1 LEU 83 1HD1 LEU 83 3.746 -1.498 4.525 674 2HD1 LEU 83 2HD1 LEU 83 4.768 -2.954 4.574 675 3HD1 LEU 83 3HD1 LEU 83 3.308 -2.927 3.557 676 1HD2 LEU 83 1HD2 LEU 83 1.385 -3.524 4.208 677 2HD2 LEU 83 2HD2 LEU 83 1.066 -4.215 5.817 678 3HD2 LEU 83 3HD2 LEU 83 0.874 -2.466 5.546 679 H GLY 84 H GLY 84 6.184 -4.893 7.300 680 1HA GLY 84 1HA GLY 84 6.563 -7.546 7.631 681 2HA GLY 84 2HA GLY 84 7.740 -6.331 8.091 682 H LYS 85 H LYS 85 6.408 -5.059 10.265 683 HA LYS 85 HA LYS 85 6.878 -7.025 12.284 684 1HB LYS 85 1HB LYS 85 6.418 -4.083 12.160 685 2HB LYS 85 2HB LYS 85 6.002 -4.885 13.660 686 1HG LYS 85 1HG LYS 85 8.297 -5.938 13.697 687 2HG LYS 85 2HG LYS 85 8.704 -5.048 12.244 688 1HD LYS 85 1HD LYS 85 7.707 -3.045 13.919 689 2HD LYS 85 2HD LYS 85 8.537 -4.100 15.045 690 1HE LYS 85 1HE LYS 85 9.893 -3.260 12.460 691 2HE LYS 85 2HE LYS 85 9.893 -2.185 13.844 692 1HZ LYS 85 1HZ LYS 85 10.655 -4.927 14.429 693 2HZ LYS 85 2HZ LYS 85 11.710 -4.115 13.491 694 H ALA 86 H ALA 86 4.053 -5.367 10.817 695 HA ALA 86 HA ALA 86 2.156 -6.195 12.678 696 1HB ALA 86 1HB ALA 86 0.562 -5.783 10.780 697 2HB ALA 86 2HB ALA 86 1.719 -4.454 11.040 698 3HB ALA 86 3HB ALA 86 1.964 -5.599 9.698 699 H MET 87 H MET 87 3.772 -7.866 9.980 700 HA MET 87 HA MET 87 2.195 -10.219 10.691 701 1HB MET 87 1HB MET 87 2.371 -10.926 8.333 702 2HB MET 87 2HB MET 87 1.730 -9.296 8.373 703 1HG MET 87 1HG MET 87 3.818 -8.329 7.697 704 2HG MET 87 2HG MET 87 4.723 -9.773 8.109 705 1HE MET 87 1HE MET 87 2.662 -8.714 4.264 706 2HE MET 87 2HE MET 87 1.527 -8.867 5.626 707 3HE MET 87 3HE MET 87 2.910 -7.755 5.742 708 H ARG 88 H ARG 88 4.865 -9.075 11.688 709 HA ARG 88 HA ARG 88 7.042 -9.632 11.685 710 1HB ARG 88 1HB ARG 88 5.272 -11.609 13.020 711 2HB ARG 88 2HB ARG 88 6.893 -12.215 12.744 712 1HG ARG 88 1HG ARG 88 7.727 -9.967 13.761 713 2HG ARG 88 2HG ARG 88 6.076 -9.725 14.298 714 1HD ARG 88 1HD ARG 88 6.952 -12.434 14.962 715 2HD ARG 88 2HD ARG 88 8.098 -11.266 15.584 716 HE ARG 88 HE ARG 88 5.273 -10.601 16.098 717 1HH1 ARG 88 2HH2 ARG 88 8.193 -12.177 17.343 718 2HH1 ARG 88 1HH2 ARG 88 7.676 -12.108 18.995 719 1HH2 ARG 88 1HH ARG 88 5.555 -11.124 19.520 720 H LEU 89 H LEU 89 7.715 -9.786 9.440 721 HA LEU 89 HA LEU 89 7.828 -12.556 8.463 722 1HB LEU 89 1HB LEU 89 7.085 -11.943 6.470 723 2HB LEU 89 2HB LEU 89 6.480 -10.515 7.286 724 HG LEU 89 HG LEU 89 9.119 -10.723 5.809 725 1HD1 LEU 89 1HD1 LEU 89 8.113 -9.306 4.126 726 2HD1 LEU 89 2HD1 LEU 89 7.132 -10.776 4.342 727 3HD1 LEU 89 3HD1 LEU 89 6.592 -9.234 5.048 728 1HD2 LEU 89 1HD2 LEU 89 9.746 -8.732 6.605 729 2HD2 LEU 89 2HD2 LEU 89 8.106 -8.052 6.471 730 3HD2 LEU 89 3HD2 LEU 89 8.552 -9.025 7.891 731 H ARG 90 H ARG 90 9.743 -12.729 6.760 732 HA ARG 90 HA ARG 90 11.994 -11.355 7.996 733 1HB ARG 90 1HB ARG 90 13.359 -13.377 7.503 734 2HB ARG 90 2HB ARG 90 11.993 -13.781 8.526 735 1HG ARG 90 1HG ARG 90 10.731 -14.367 6.328 736 2HG ARG 90 2HG ARG 90 12.292 -14.289 5.538 737 1HD ARG 90 1HD ARG 90 12.561 -15.879 7.950 738 2HD ARG 90 2HD ARG 90 11.184 -16.472 7.043 739 HE ARG 90 HE ARG 90 12.619 -17.106 5.265 740 1HH1 ARG 90 2HH2 ARG 90 14.417 -15.279 7.711 741 2HH1 ARG 90 1HH2 ARG 90 15.967 -15.694 7.061 742 1HH2 ARG 90 1HH ARG 90 16.088 -17.091 5.118 743 H ILE 91 H ILE 91 10.596 -12.828 5.008 744 HA ILE 91 HA ILE 91 12.491 -12.373 3.168 745 HB ILE 91 HB ILE 91 10.514 -11.806 1.626 746 1HG1 ILE 91 1HG1 ILE 91 8.714 -12.834 3.757 747 2HG1 ILE 91 2HG1 ILE 91 9.205 -11.158 3.900 748 1HG2 ILE 91 1HG2 ILE 91 11.544 -14.016 1.813 749 2HG2 ILE 91 2HG2 ILE 91 10.524 -14.381 3.225 750 3HG2 ILE 91 3HG2 ILE 91 9.778 -14.137 1.628 751 1HD1 ILE 91 1HD1 ILE 91 7.154 -12.141 2.267 752 2HD1 ILE 91 2HD1 ILE 91 7.887 -10.522 2.163 753 3HD1 ILE 91 3HD1 ILE 91 8.491 -11.841 1.130 754 H VAL 92 H VAL 92 10.668 -9.947 4.984 755 HA VAL 92 HA VAL 92 10.468 -7.701 4.551 756 HB VAL 92 HB VAL 92 13.417 -8.168 5.044 757 1HG1 VAL 92 1HG1 VAL 92 13.182 -5.949 6.285 758 2HG1 VAL 92 2HG1 VAL 92 13.152 -5.877 4.507 759 3HG1 VAL 92 3HG1 VAL 92 11.635 -5.751 5.427 760 1HG2 VAL 92 1HG2 VAL 92 11.344 -7.659 7.174 761 2HG2 VAL 92 2HG2 VAL 92 11.664 -9.306 6.582 762 3HG2 VAL 92 3HG2 VAL 92 12.971 -8.358 7.331 763 HA PRO 93 HA PRO 93 12.059 -7.733 0.261 764 1HB PRO 93 1HB PRO 93 9.685 -7.846 -1.088 765 2HB PRO 93 2HB PRO 93 10.671 -9.258 -0.759 766 1HG PRO 93 1HG PRO 93 8.156 -8.409 0.541 767 2HG PRO 93 2HG PRO 93 8.916 -9.989 0.546 768 1HD PRO 93 1HD PRO 93 8.923 -8.075 2.683 769 2HD PRO 93 2HD PRO 93 9.779 -9.603 2.642 770 H GLU 94 H GLU 94 12.023 -6.059 -1.377 771 HA GLU 94 HA GLU 94 11.568 -3.605 -0.108 772 1HB GLU 94 1HB GLU 94 13.164 -4.394 -2.138 773 2HB GLU 94 2HB GLU 94 11.844 -3.754 -3.097 774 1HG GLU 94 1HG GLU 94 12.002 -1.575 -1.945 775 2HG GLU 94 2HG GLU 94 13.225 -2.202 -0.857 776 HE2 GLU 94 HE GLU 94 15.653 -1.171 -2.956 777 H LEU 95 H LEU 95 9.177 -4.414 0.378 778 HA LEU 95 HA LEU 95 7.325 -4.244 -1.753 779 1HB LEU 95 1HB LEU 95 5.675 -4.117 0.157 780 2HB LEU 95 2HB LEU 95 6.673 -5.552 0.043 781 HG LEU 95 HG LEU 95 7.962 -3.599 1.741 782 1HD1 LEU 95 1HD1 LEU 95 5.535 -2.875 1.992 783 2HD1 LEU 95 2HD1 LEU 95 5.254 -4.451 2.771 784 3HD1 LEU 95 3HD1 LEU 95 6.406 -3.298 3.484 785 1HD2 LEU 95 1HD2 LEU 95 6.794 -6.152 2.767 786 2HD2 LEU 95 2HD2 LEU 95 8.064 -6.230 1.523 787 3HD2 LEU 95 3HD2 LEU 95 8.383 -5.410 3.071 788 H THR 96 H THR 96 7.776 -2.301 -2.896 789 HA THR 96 HA THR 96 7.818 0.203 -1.528 790 HB THR 96 HB THR 96 8.927 -0.545 -3.787 791 HG1 THR 96 HG1 THR 96 7.258 1.858 -3.771 792 1HG2 THR 96 1HG2 THR 96 6.807 0.714 -5.318 793 2HG2 THR 96 2HG2 THR 96 7.567 -0.871 -5.592 794 3HG2 THR 96 3HG2 THR 96 6.153 -0.735 -4.520 795 H PHE 97 H PHE 97 6.287 2.018 -2.133 796 HA PHE 97 HA PHE 97 3.559 0.938 -2.249 797 1HB PHE 97 1HB PHE 97 2.981 2.649 -0.579 798 2HB PHE 97 2HB PHE 97 4.398 1.810 0.023 799 HD1 PHE 97 HD1 PHE 97 2.998 4.967 -0.736 800 HD2 PHE 97 HD2 PHE 97 6.696 2.900 -0.516 801 HE1 PHE 97 HE1 PHE 97 4.210 7.157 -0.537 802 HE2 PHE 97 HE2 PHE 97 7.909 5.088 -0.316 803 HZ PHE 97 HZ PHE 97 6.651 7.191 -0.329 804 H PHE 98 H PHE 98 2.730 1.485 -4.217 805 HA PHE 98 HA PHE 98 3.645 3.928 -5.470 806 1HB PHE 98 1HB PHE 98 2.537 1.308 -6.172 807 2HB PHE 98 2HB PHE 98 1.513 2.546 -6.873 808 HD1 PHE 98 HD1 PHE 98 5.162 1.806 -6.524 809 HD2 PHE 98 HD2 PHE 98 2.032 3.245 -9.002 810 HE1 PHE 98 HE1 PHE 98 6.786 2.078 -8.418 811 HE2 PHE 98 HE2 PHE 98 3.656 3.516 -10.897 812 HZ PHE 98 HZ PHE 98 6.014 2.928 -10.581 813 H TYR 99 H TYR 99 2.640 5.825 -5.010 814 HA TYR 99 HA TYR 99 -0.163 5.706 -4.180 815 1HB TYR 99 1HB TYR 99 0.774 8.321 -3.926 816 2HB TYR 99 2HB TYR 99 0.908 7.125 -2.652 817 HD1 TYR 99 HD1 TYR 99 2.705 9.306 -4.837 818 HD2 TYR 99 HD2 TYR 99 3.061 5.676 -2.602 819 HE1 TYR 99 HE1 TYR 99 5.238 9.505 -4.905 820 HE2 TYR 99 HE2 TYR 99 5.594 5.887 -2.677 821 HH TYR 99 HH TYR 99 7.132 8.462 -4.543 822 H ASP 100 H ASP 100 -1.308 5.536 -6.135 823 HA ASP 100 HA ASP 100 -0.684 7.549 -8.124 824 1HB ASP 100 1HB ASP 100 -1.542 4.827 -8.225 825 2HB ASP 100 2HB ASP 100 -2.897 5.773 -8.811 826 HD2 ASP 100 HD ASP 100 0.337 6.680 -10.884 827 H ASN 101 H ASN 101 -1.703 9.443 -7.249 828 HA ASN 101 HA ASN 101 -4.390 9.185 -6.280 829 1HB ASN 101 1HB ASN 101 -2.725 11.726 -6.651 830 2HB ASN 101 2HB ASN 101 -4.150 11.555 -5.646 831 1HD2 ASN 101 1HD2 ASN 101 -1.461 12.389 -4.944 832 2HD2 ASN 101 2HD2 ASN 101 -0.884 11.322 -3.708 833 H SER 102 H SER 102 -5.557 11.623 -7.085 834 HA SER 102 HA SER 102 -5.952 11.081 -9.884 835 1HB SER 102 1HB SER 102 -8.071 11.429 -9.133 836 2HB SER 102 2HB SER 102 -7.518 12.242 -7.682 837 HG SER 102 HG SER 102 -8.745 13.422 -9.626 838 H LEU 103 H LEU 103 -3.526 12.542 -8.550 839 HA LEU 103 HA LEU 103 -3.793 15.118 -9.907 840 1HB LEU 103 1HB LEU 103 -3.139 15.029 -7.507 841 2HB LEU 103 2HB LEU 103 -1.685 14.163 -7.965 842 HG LEU 103 HG LEU 103 -1.667 16.451 -9.581 843 1HD1 LEU 103 1HD1 LEU 103 -2.598 17.125 -6.781 844 2HD1 LEU 103 2HD1 LEU 103 -1.835 18.288 -7.891 845 3HD1 LEU 103 3HD1 LEU 103 -3.387 17.535 -8.324 846 1HD2 LEU 103 1HD2 LEU 103 0.078 15.093 -8.021 847 2HD2 LEU 103 2HD2 LEU 103 0.411 16.684 -8.745 848 3HD2 LEU 103 3HD2 LEU 103 -0.134 16.571 -7.054 849 H VAL 104 H VAL 104 -3.112 12.082 -10.809 850 HA VAL 104 HA VAL 104 -1.021 12.998 -12.647 851 HB VAL 104 HB VAL 104 -1.092 10.538 -10.928 852 1HG1 VAL 104 1HG1 VAL 104 -0.837 9.553 -13.073 853 2HG1 VAL 104 2HG1 VAL 104 0.264 10.841 -13.619 854 3HG1 VAL 104 3HG1 VAL 104 0.801 9.669 -12.390 855 1HG2 VAL 104 1HG2 VAL 104 0.618 11.538 -9.907 856 2HG2 VAL 104 2HG2 VAL 104 1.517 11.630 -11.440 857 3HG2 VAL 104 3HG2 VAL 104 0.413 12.946 -10.975 858 H GLU 105 H GLU 105 -4.171 12.177 -12.281 859 HA GLU 105 HA GLU 105 -4.327 11.362 -15.010 860 1HB GLU 105 1HB GLU 105 -5.547 9.546 -12.885 861 2HB GLU 105 2HB GLU 105 -5.608 9.310 -14.620 862 1HG GLU 105 1HG GLU 105 -3.086 9.156 -14.656 863 2HG GLU 105 2HG GLU 105 -3.076 9.304 -12.909 864 HE2 GLU 105 HE GLU 105 -2.244 7.231 -14.502 865 H GLY 106 H GLY 106 -5.864 12.117 -11.863 866 1HA GLY 106 1HA GLY 106 -7.490 13.718 -11.542 867 2HA GLY 106 2HA GLY 106 -7.851 13.728 -13.256 868 H MET 107 H MET 107 -7.682 10.507 -12.750 869 HA MET 107 HA MET 107 -10.211 10.204 -11.419 870 1HB MET 107 1HB MET 107 -11.071 8.838 -13.438 871 2HB MET 107 2HB MET 107 -11.011 10.572 -13.682 872 1HG MET 107 1HG MET 107 -9.958 9.844 -15.637 873 2HG MET 107 2HG MET 107 -8.561 10.075 -14.604 874 1HE MET 107 1HE MET 107 -7.238 8.684 -13.676 875 2HE MET 107 2HE MET 107 -7.254 6.905 -13.601 876 3HE MET 107 3HE MET 107 -6.683 7.729 -15.072 877 H ARG 108 H ARG 108 -7.309 9.427 -11.072 878 HA ARG 108 HA ARG 108 -6.608 6.994 -11.764 879 1HB ARG 108 1HB ARG 108 -5.208 6.958 -9.859 880 2HB ARG 108 2HB ARG 108 -5.573 8.666 -10.012 881 1HG ARG 108 1HG ARG 108 -7.004 6.697 -8.164 882 2HG ARG 108 2HG ARG 108 -5.838 7.905 -7.664 883 1HD ARG 108 1HD ARG 108 -7.334 9.726 -8.421 884 2HD ARG 108 2HD ARG 108 -8.475 8.562 -9.062 885 HE ARG 108 HE ARG 108 -8.044 9.215 -6.219 886 1HH1 ARG 108 2HH2 ARG 108 -9.506 6.967 -8.533 887 2HH1 ARG 108 1HH2 ARG 108 -10.643 6.333 -7.389 888 1HH2 ARG 108 1HH ARG 108 -10.646 7.180 -5.147 Start of MODEL 8 1 H MET 1 H MET 1 -7.519 -8.149 -5.549 2 HA MET 1 HA MET 1 -8.141 -8.861 -3.488 3 1HB MET 1 1HB MET 1 -8.687 -6.385 -3.981 4 2HB MET 1 2HB MET 1 -10.357 -6.867 -4.211 5 1HG MET 1 1HG MET 1 -10.627 -7.494 -1.924 6 2HG MET 1 2HG MET 1 -8.900 -7.621 -1.655 7 1HE MET 1 1HE MET 1 -11.929 -5.706 -2.118 8 2HE MET 1 2HE MET 1 -11.675 -5.201 -0.431 9 3HE MET 1 3HE MET 1 -11.587 -4.001 -1.743 10 H ALA 2 H ALA 2 -8.968 -11.048 -4.665 11 HA ALA 2 HA ALA 2 -11.050 -12.024 -3.236 12 1HB ALA 2 1HB ALA 2 -12.521 -11.929 -5.674 13 2HB ALA 2 2HB ALA 2 -12.946 -11.197 -4.108 14 3HB ALA 2 3HB ALA 2 -12.016 -10.263 -5.305 15 H LYS 3 H LYS 3 -9.167 -13.517 -3.409 16 HA LYS 3 HA LYS 3 -9.664 -15.397 -5.554 17 1HB LYS 3 1HB LYS 3 -7.709 -13.579 -6.017 18 2HB LYS 3 2HB LYS 3 -6.785 -14.791 -5.153 19 1HG LYS 3 1HG LYS 3 -6.670 -15.408 -7.473 20 2HG LYS 3 2HG LYS 3 -7.773 -16.547 -6.728 21 1HD LYS 3 1HD LYS 3 -9.533 -14.559 -7.456 22 2HD LYS 3 2HD LYS 3 -8.331 -14.394 -8.719 23 1HE LYS 3 1HE LYS 3 -8.522 -16.996 -8.970 24 2HE LYS 3 2HE LYS 3 -9.991 -16.847 -8.028 25 1HZ LYS 3 1HZ LYS 3 -9.528 -15.244 -10.480 26 2HZ LYS 3 2HZ LYS 3 -10.284 -16.685 -10.510 27 H GLU 4 H GLU 4 -10.359 -17.002 -4.190 28 HA GLU 4 HA GLU 4 -8.563 -17.608 -1.977 29 1HB GLU 4 1HB GLU 4 -10.567 -18.822 -1.007 30 2HB GLU 4 2HB GLU 4 -10.757 -17.086 -1.136 31 1HG GLU 4 1HG GLU 4 -11.624 -18.361 -3.614 32 2HG GLU 4 2HG GLU 4 -12.440 -19.100 -2.250 33 HE2 GLU 4 HE GLU 4 -13.207 -16.179 -4.137 34 H PHE 5 H PHE 5 -7.083 -18.863 -3.267 35 HA PHE 5 HA PHE 5 -8.133 -21.515 -3.839 36 1HB PHE 5 1HB PHE 5 -7.922 -19.737 -5.873 37 2HB PHE 5 2HB PHE 5 -6.214 -20.115 -5.752 38 HD1 PHE 5 HD1 PHE 5 -9.230 -22.296 -5.450 39 HD2 PHE 5 HD2 PHE 5 -5.664 -21.419 -7.578 40 HE1 PHE 5 HE1 PHE 5 -9.581 -24.331 -6.877 41 HE2 PHE 5 HE2 PHE 5 -6.014 -23.454 -9.004 42 HZ PHE 5 HZ PHE 5 -7.969 -24.886 -8.637 43 H GLY 6 H GLY 6 -5.922 -22.770 -4.824 44 1HA GLY 6 1HA GLY 6 -4.087 -22.594 -2.558 45 2HA GLY 6 2HA GLY 6 -4.218 -23.890 -3.732 46 H ARG 7 H ARG 7 -4.370 -21.064 -5.532 47 HA ARG 7 HA ARG 7 -1.731 -21.461 -6.453 48 1HB ARG 7 1HB ARG 7 -4.155 -20.173 -7.376 49 2HB ARG 7 2HB ARG 7 -2.852 -19.007 -7.487 50 1HG ARG 7 1HG ARG 7 -1.570 -21.190 -8.508 51 2HG ARG 7 2HG ARG 7 -3.216 -21.599 -8.952 52 1HD ARG 7 1HD ARG 7 -3.287 -19.997 -10.578 53 2HD ARG 7 2HD ARG 7 -2.630 -18.770 -9.514 54 HE ARG 7 HE ARG 7 -0.567 -19.112 -10.532 55 1HH1 ARG 7 2HH2 ARG 7 -2.423 -22.119 -10.794 56 2HH1 ARG 7 1HH2 ARG 7 -1.197 -22.942 -11.700 57 1HH2 ARG 7 1HH ARG 7 0.836 -21.793 -12.237 58 HA PRO 8 HA PRO 8 0.237 -18.068 -4.514 59 1HB PRO 8 1HB PRO 8 1.488 -16.617 -6.463 60 2HB PRO 8 2HB PRO 8 2.111 -18.135 -5.850 61 1HG PRO 8 1HG PRO 8 0.761 -17.590 -8.422 62 2HG PRO 8 2HG PRO 8 1.753 -18.964 -7.973 63 1HD PRO 8 1HD PRO 8 -1.109 -18.901 -8.162 64 2HD PRO 8 2HD PRO 8 -0.125 -20.238 -7.601 65 H GLN 9 H GLN 9 -2.455 -17.510 -6.208 66 HA GLN 9 HA GLN 9 -2.366 -14.663 -6.031 67 1HB GLN 9 1HB GLN 9 -3.832 -16.540 -7.524 68 2HB GLN 9 2HB GLN 9 -5.024 -15.854 -6.436 69 1HG GLN 9 1HG GLN 9 -4.955 -14.497 -8.464 70 2HG GLN 9 2HG GLN 9 -4.314 -13.546 -7.138 71 1HE2 GLN 9 1HE2 GLN 9 -3.038 -12.217 -8.296 72 2HE2 GLN 9 2HE2 GLN 9 -1.626 -12.704 -9.175 73 H ARG 10 H ARG 10 -3.833 -17.429 -4.262 74 HA ARG 10 HA ARG 10 -5.531 -16.015 -2.665 75 1HB ARG 10 1HB ARG 10 -5.240 -18.566 -2.873 76 2HB ARG 10 2HB ARG 10 -3.888 -18.432 -1.767 77 1HG ARG 10 1HG ARG 10 -5.451 -17.305 -0.099 78 2HG ARG 10 2HG ARG 10 -6.781 -17.643 -1.191 79 1HD ARG 10 1HD ARG 10 -6.729 -19.941 -0.781 80 2HD ARG 10 2HD ARG 10 -5.004 -19.962 -0.474 81 HE ARG 10 HE ARG 10 -5.424 -19.538 1.789 82 1HH1 ARG 10 2HH2 ARG 10 -8.325 -18.730 -0.076 83 2HH1 ARG 10 1HH2 ARG 10 -9.302 -18.455 1.328 84 1HH2 ARG 10 1HH ARG 10 -8.331 -18.722 3.503 85 H VAL 11 H VAL 11 -2.167 -17.169 -1.839 86 HA VAL 11 HA VAL 11 -1.925 -15.925 0.583 87 HB VAL 11 HB VAL 11 -0.381 -17.487 -0.966 88 1HG1 VAL 11 1HG1 VAL 11 1.664 -16.355 -1.607 89 2HG1 VAL 11 2HG1 VAL 11 0.282 -15.568 -2.409 90 3HG1 VAL 11 3HG1 VAL 11 1.044 -14.804 -0.992 91 1HG2 VAL 11 1HG2 VAL 11 0.750 -15.756 1.256 92 2HG2 VAL 11 2HG2 VAL 11 -0.319 -17.154 1.522 93 3HG2 VAL 11 3HG2 VAL 11 1.278 -17.387 0.774 94 H ALA 12 H ALA 12 -1.438 -14.583 -2.724 95 HA ALA 12 HA ALA 12 -0.365 -12.138 -1.937 96 1HB ALA 12 1HB ALA 12 -0.240 -12.859 -4.223 97 2HB ALA 12 2HB ALA 12 -2.009 -13.016 -4.338 98 3HB ALA 12 3HB ALA 12 -1.265 -11.405 -4.199 99 H GLN 13 H GLN 13 -3.717 -13.378 -2.073 100 HA GLN 13 HA GLN 13 -4.929 -10.876 -1.804 101 1HB GLN 13 1HB GLN 13 -5.930 -13.661 -1.063 102 2HB GLN 13 2HB GLN 13 -6.943 -12.232 -1.125 103 1HG GLN 13 1HG GLN 13 -5.721 -13.794 -3.373 104 2HG GLN 13 2HG GLN 13 -7.297 -13.033 -3.276 105 1HE2 GLN 13 1HE2 GLN 13 -3.869 -12.534 -3.793 106 2HE2 GLN 13 2HE2 GLN 13 -3.964 -11.008 -4.608 107 H GLU 14 H GLU 14 -4.709 -13.552 0.660 108 HA GLU 14 HA GLU 14 -5.528 -12.228 2.807 109 1HB GLU 14 1HB GLU 14 -3.310 -14.277 2.504 110 2HB GLU 14 2HB GLU 14 -3.764 -13.677 4.088 111 1HG GLU 14 1HG GLU 14 -6.134 -14.404 2.514 112 2HG GLU 14 2HG GLU 14 -5.023 -15.755 2.640 113 HE2 GLU 14 HE GLU 14 -4.995 -14.954 6.245 114 H MET 15 H MET 15 -2.286 -11.973 1.278 115 HA MET 15 HA MET 15 -1.260 -10.344 3.349 116 1HB MET 15 1HB MET 15 -0.324 -11.694 0.976 117 2HB MET 15 2HB MET 15 0.112 -10.007 0.794 118 1HG MET 15 1HG MET 15 0.636 -11.141 3.506 119 2HG MET 15 2HG MET 15 1.592 -11.849 2.219 120 1HE MET 15 1HE MET 15 3.371 -11.261 3.476 121 2HE MET 15 2HE MET 15 4.378 -10.114 2.560 122 3HE MET 15 3HE MET 15 3.757 -9.667 4.167 123 H GLN 16 H GLN 16 -2.815 -9.804 0.159 124 HA GLN 16 HA GLN 16 -2.195 -7.097 -0.006 125 1HB GLN 16 1HB GLN 16 -2.993 -8.561 -1.894 126 2HB GLN 16 2HB GLN 16 -4.596 -8.563 -1.184 127 1HG GLN 16 1HG GLN 16 -3.623 -5.823 -1.380 128 2HG GLN 16 2HG GLN 16 -3.472 -6.610 -2.939 129 1HE2 GLN 16 1HE2 GLN 16 -5.089 -5.140 -3.661 130 2HE2 GLN 16 2HE2 GLN 16 -6.772 -5.447 -3.386 131 H LYS 17 H LYS 17 -4.811 -8.923 1.609 132 HA LYS 17 HA LYS 17 -6.352 -6.585 2.173 133 1HB LYS 17 1HB LYS 17 -7.845 -8.046 3.258 134 2HB LYS 17 2HB LYS 17 -7.231 -8.946 1.886 135 1HG LYS 17 1HG LYS 17 -5.820 -10.305 3.241 136 2HG LYS 17 2HG LYS 17 -5.847 -9.170 4.578 137 1HD LYS 17 1HD LYS 17 -8.552 -10.120 3.873 138 2HD LYS 17 2HD LYS 17 -7.479 -11.441 4.295 139 1HE LYS 17 1HE LYS 17 -6.821 -10.075 6.385 140 2HE LYS 17 2HE LYS 17 -8.146 -8.997 5.994 141 1HZ LYS 17 1HZ LYS 17 -9.508 -11.202 5.928 142 2HZ LYS 17 2HZ LYS 17 -8.293 -11.817 6.821 143 H GLU 18 H GLU 18 -3.841 -8.546 3.814 144 HA GLU 18 HA GLU 18 -4.180 -7.282 6.294 145 1HB GLU 18 1HB GLU 18 -3.079 -9.519 5.919 146 2HB GLU 18 2HB GLU 18 -1.714 -8.697 5.188 147 1HG GLU 18 1HG GLU 18 -0.842 -8.577 7.287 148 2HG GLU 18 2HG GLU 18 -2.013 -7.306 7.584 149 HE2 GLU 18 HE GLU 18 -2.101 -10.950 8.956 150 H ILE 19 H ILE 19 -2.071 -6.705 3.431 151 HA ILE 19 HA ILE 19 -0.638 -4.600 4.725 152 HB ILE 19 HB ILE 19 0.534 -4.388 2.711 153 1HG1 ILE 19 1HG1 ILE 19 -1.837 -5.715 1.383 154 2HG1 ILE 19 2HG1 ILE 19 -1.216 -4.099 1.116 155 1HG2 ILE 19 1HG2 ILE 19 1.520 -6.314 3.203 156 2HG2 ILE 19 2HG2 ILE 19 -0.008 -7.011 3.796 157 3HG2 ILE 19 3HG2 ILE 19 0.406 -7.113 2.067 158 1HD1 ILE 19 1HD1 ILE 19 -0.232 -6.707 0.065 159 2HD1 ILE 19 2HD1 ILE 19 -0.149 -5.083 -0.659 160 3HD1 ILE 19 3HD1 ILE 19 1.038 -5.569 0.577 161 H ALA 20 H ALA 20 -3.450 -4.908 2.515 162 HA ALA 20 HA ALA 20 -3.683 -2.198 1.895 163 1HB ALA 20 1HB ALA 20 -4.858 -3.823 0.596 164 2HB ALA 20 2HB ALA 20 -5.654 -4.504 2.035 165 3HB ALA 20 3HB ALA 20 -6.106 -2.885 1.452 166 H LEU 21 H LEU 21 -4.710 -4.151 4.713 167 HA LEU 21 HA LEU 21 -6.356 -2.102 5.795 168 1HB LEU 21 1HB LEU 21 -6.874 -4.316 6.370 169 2HB LEU 21 2HB LEU 21 -5.220 -4.692 6.811 170 HG LEU 21 HG LEU 21 -6.131 -2.556 8.493 171 1HD1 LEU 21 1HD1 LEU 21 -7.979 -4.958 8.490 172 2HD1 LEU 21 2HD1 LEU 21 -7.999 -3.601 9.640 173 3HD1 LEU 21 3HD1 LEU 21 -8.403 -3.324 7.929 174 1HD2 LEU 21 1HD2 LEU 21 -4.470 -4.681 8.702 175 2HD2 LEU 21 2HD2 LEU 21 -5.097 -3.761 10.090 176 3HD2 LEU 21 3HD2 LEU 21 -5.879 -5.285 9.608 177 H ILE 22 H ILE 22 -3.093 -3.415 6.725 178 HA ILE 22 HA ILE 22 -2.586 -1.444 8.621 179 HB ILE 22 HB ILE 22 -0.672 -3.085 6.957 180 1HG1 ILE 22 1HG1 ILE 22 -1.484 -3.720 9.779 181 2HG1 ILE 22 2HG1 ILE 22 -2.536 -4.184 8.456 182 1HG2 ILE 22 1HG2 ILE 22 0.335 -1.075 8.065 183 2HG2 ILE 22 2HG2 ILE 22 -0.165 -1.757 9.630 184 3HG2 ILE 22 3HG2 ILE 22 0.995 -2.635 8.607 185 1HD1 ILE 22 1HD1 ILE 22 0.392 -4.966 8.810 186 2HD1 ILE 22 2HD1 ILE 22 -1.024 -6.038 8.915 187 3HD1 ILE 22 3HD1 ILE 22 -0.560 -5.325 7.351 188 H LEU 23 H LEU 23 -2.672 -1.327 5.141 189 HA LEU 23 HA LEU 23 -0.951 0.996 5.021 190 1HB LEU 23 1HB LEU 23 -0.857 -0.734 3.292 191 2HB LEU 23 2HB LEU 23 -2.540 -0.449 2.896 192 HG LEU 23 HG LEU 23 -0.794 1.940 2.764 193 1HD1 LEU 23 1HD1 LEU 23 -0.561 0.181 0.386 194 2HD1 LEU 23 2HD1 LEU 23 0.589 1.353 1.073 195 3HD1 LEU 23 3HD1 LEU 23 0.415 -0.259 1.807 196 1HD2 LEU 23 1HD2 LEU 23 -2.881 0.770 0.904 197 2HD2 LEU 23 2HD2 LEU 23 -3.143 2.036 2.128 198 3HD2 LEU 23 3HD2 LEU 23 -2.095 2.356 0.727 199 H GLN 24 H GLN 24 -4.275 0.209 5.603 200 HA GLN 24 HA GLN 24 -4.999 2.951 4.927 201 1HB GLN 24 1HB GLN 24 -6.374 0.367 4.612 202 2HB GLN 24 2HB GLN 24 -7.378 1.551 5.423 203 1HG GLN 24 1HG GLN 24 -7.173 3.125 3.598 204 2HG GLN 24 2HG GLN 24 -5.863 2.220 2.866 205 1HE2 GLN 24 1HE2 GLN 24 -6.495 1.340 1.059 206 2HE2 GLN 24 2HE2 GLN 24 -7.986 0.514 0.753 207 H ARG 25 H ARG 25 -4.125 0.923 7.480 208 HA ARG 25 HA ARG 25 -5.813 2.416 9.321 209 1HB ARG 25 1HB ARG 25 -4.904 -0.390 9.218 210 2HB ARG 25 2HB ARG 25 -4.553 0.342 10.770 211 1HG ARG 25 1HG ARG 25 -7.117 1.251 10.378 212 2HG ARG 25 2HG ARG 25 -7.195 -0.270 9.513 213 1HD ARG 25 1HD ARG 25 -7.653 -1.137 11.594 214 2HD ARG 25 2HD ARG 25 -5.909 -1.113 11.775 215 HE ARG 25 HE ARG 25 -6.092 0.697 13.268 216 1HH1 ARG 25 2HH2 ARG 25 -9.192 0.210 11.623 217 2HH1 ARG 25 1HH2 ARG 25 -10.051 1.309 12.649 218 1HH2 ARG 25 1HH ARG 25 -8.874 2.437 14.407 219 H GLU 26 H GLU 26 -2.529 0.832 9.161 220 HA GLU 26 HA GLU 26 -1.481 2.442 11.182 221 1HB GLU 26 1HB GLU 26 0.289 1.036 10.992 222 2HB GLU 26 2HB GLU 26 -0.678 0.170 9.815 223 1HG GLU 26 1HG GLU 26 1.290 0.572 8.600 224 2HG GLU 26 2HG GLU 26 0.283 1.909 8.083 225 HE2 GLU 26 HE GLU 26 1.833 3.886 8.224 226 H ILE 27 H ILE 27 -2.288 3.120 7.914 227 HA ILE 27 HA ILE 27 -0.224 5.132 7.599 228 HB ILE 27 HB ILE 27 -1.429 3.470 5.847 229 1HG1 ILE 27 1HG1 ILE 27 -0.040 6.117 5.502 230 2HG1 ILE 27 2HG1 ILE 27 0.583 4.497 5.255 231 1HG2 ILE 27 1HG2 ILE 27 -2.884 4.864 4.384 232 2HG2 ILE 27 2HG2 ILE 27 -3.606 4.479 5.965 233 3HG2 ILE 27 3HG2 ILE 27 -2.927 6.097 5.668 234 1HD1 ILE 27 1HD1 ILE 27 0.204 5.456 3.068 235 2HD1 ILE 27 2HD1 ILE 27 -1.070 4.242 3.326 236 3HD1 ILE 27 3HD1 ILE 27 -1.438 5.973 3.514 237 H LYS 28 H LYS 28 -1.321 7.286 6.492 238 HA LYS 28 HA LYS 28 -3.103 8.237 8.608 239 1HB LYS 28 1HB LYS 28 -2.332 10.473 7.977 240 2HB LYS 28 2HB LYS 28 -0.993 9.426 8.404 241 1HG LYS 28 1HG LYS 28 -1.350 9.029 5.622 242 2HG LYS 28 2HG LYS 28 -1.564 10.753 5.852 243 1HD LYS 28 1HD LYS 28 0.719 10.842 5.783 244 2HD LYS 28 2HD LYS 28 0.637 10.303 7.448 245 1HE LYS 28 1HE LYS 28 0.519 7.874 6.336 246 2HE LYS 28 2HE LYS 28 1.240 8.689 4.961 247 1HZ LYS 28 1HZ LYS 28 2.668 9.547 7.177 248 2HZ LYS 28 2HZ LYS 28 2.486 7.945 7.400 249 H ASP 29 H ASP 29 -4.888 6.993 7.520 250 HA ASP 29 HA ASP 29 -5.676 7.982 4.966 251 1HB ASP 29 1HB ASP 29 -6.573 5.893 5.006 252 2HB ASP 29 2HB ASP 29 -6.351 5.767 6.742 253 HD2 ASP 29 HD ASP 29 -8.646 5.828 4.422 254 HA PRO 30 HA PRO 30 -9.003 9.808 7.877 255 1HB PRO 30 1HB PRO 30 -8.639 9.690 10.582 256 2HB PRO 30 2HB PRO 30 -9.601 8.527 9.693 257 1HG PRO 30 1HG PRO 30 -6.894 8.205 10.836 258 2HG PRO 30 2HG PRO 30 -8.027 6.967 10.331 259 1HD PRO 30 1HD PRO 30 -5.700 7.847 8.905 260 2HD PRO 30 2HD PRO 30 -6.896 6.693 8.350 261 H ARG 31 H ARG 31 -5.678 10.175 8.362 262 HA ARG 31 HA ARG 31 -5.904 12.711 9.587 263 1HB ARG 31 1HB ARG 31 -3.855 10.830 9.176 264 2HB ARG 31 2HB ARG 31 -3.372 12.169 8.152 265 1HG ARG 31 1HG ARG 31 -3.082 13.630 9.945 266 2HG ARG 31 2HG ARG 31 -4.324 12.864 10.917 267 1HD ARG 31 1HD ARG 31 -2.832 10.933 11.362 268 2HD ARG 31 2HD ARG 31 -1.602 11.610 10.312 269 HE ARG 31 HE ARG 31 -2.292 13.564 12.294 270 1HH1 ARG 31 2HH2 ARG 31 -0.612 10.456 12.016 271 2HH1 ARG 31 1HH2 ARG 31 0.426 10.756 13.369 272 1HH2 ARG 31 1HH ARG 31 0.226 12.821 14.569 273 H LEU 32 H LEU 32 -5.910 11.425 6.305 274 HA LEU 32 HA LEU 32 -5.274 13.997 5.136 275 1HB LEU 32 1HB LEU 32 -5.900 11.286 3.969 276 2HB LEU 32 2HB LEU 32 -5.628 12.720 2.999 277 HG LEU 32 HG LEU 32 -3.583 11.689 4.974 278 1HD1 LEU 32 1HD1 LEU 32 -2.774 10.158 3.544 279 2HD1 LEU 32 2HD1 LEU 32 -4.418 10.190 2.867 280 3HD1 LEU 32 3HD1 LEU 32 -3.124 11.150 2.109 281 1HD2 LEU 32 1HD2 LEU 32 -2.031 12.958 3.435 282 2HD2 LEU 32 2HD2 LEU 32 -3.485 13.650 2.675 283 3HD2 LEU 32 3HD2 LEU 32 -3.154 13.949 4.398 284 H GLY 33 H GLY 33 -8.030 12.134 6.204 285 1HA GLY 33 1HA GLY 33 -10.172 12.909 6.416 286 2HA GLY 33 2HA GLY 33 -9.796 14.286 5.401 287 H MET 34 H MET 34 -8.771 11.149 4.205 288 HA MET 34 HA MET 34 -11.213 10.873 2.680 289 1HB MET 34 1HB MET 34 -8.450 10.840 1.358 290 2HB MET 34 2HB MET 34 -10.003 10.811 0.546 291 1HG MET 34 1HG MET 34 -10.496 13.107 1.264 292 2HG MET 34 2HG MET 34 -9.075 13.144 2.288 293 1HE MET 34 1HE MET 34 -6.841 14.886 0.627 294 2HE MET 34 2HE MET 34 -7.158 13.690 1.908 295 3HE MET 34 3HE MET 34 -6.171 13.243 0.496 296 H MET 35 H MET 35 -11.165 8.735 1.365 297 HA MET 35 HA MET 35 -9.833 6.774 3.051 298 1HB MET 35 1HB MET 35 -12.487 7.011 2.270 299 2HB MET 35 2HB MET 35 -11.888 5.922 1.036 300 1HG MET 35 1HG MET 35 -12.401 4.329 2.632 301 2HG MET 35 2HG MET 35 -10.784 4.703 3.191 302 1HE MET 35 1HE MET 35 -14.416 4.353 4.616 303 2HE MET 35 2HE MET 35 -14.775 6.072 4.909 304 3HE MET 35 3HE MET 35 -14.411 5.507 3.261 305 H THR 36 H THR 36 -8.096 5.679 2.247 306 HA THR 36 HA THR 36 -7.477 5.982 -0.570 307 HB THR 36 HB THR 36 -5.312 4.947 0.188 308 HG1 THR 36 HG1 THR 36 -5.272 4.181 2.345 309 1HG2 THR 36 1HG2 THR 36 -6.034 6.869 2.410 310 2HG2 THR 36 2HG2 THR 36 -4.543 6.781 1.444 311 3HG2 THR 36 3HG2 THR 36 -6.019 7.481 0.738 312 H THR 37 H THR 37 -6.651 4.040 -1.807 313 HA THR 37 HA THR 37 -8.029 1.578 -1.051 314 HB THR 37 HB THR 37 -8.605 3.337 -3.460 315 HG1 THR 37 HG1 THR 37 -10.588 3.141 -2.455 316 1HG2 THR 37 1HG2 THR 37 -9.745 1.411 -4.521 317 2HG2 THR 37 2HG2 THR 37 -8.007 1.055 -4.366 318 3HG2 THR 37 3HG2 THR 37 -9.169 0.334 -3.226 319 H VAL 38 H VAL 38 -7.404 -0.244 -2.615 320 HA VAL 38 HA VAL 38 -4.649 0.208 -3.526 321 HB VAL 38 HB VAL 38 -5.708 -2.212 -2.051 322 1HG1 VAL 38 1HG1 VAL 38 -2.796 -1.808 -2.356 323 2HG1 VAL 38 2HG1 VAL 38 -3.774 -3.290 -2.495 324 3HG1 VAL 38 3HG1 VAL 38 -3.669 -2.159 -3.866 325 1HG2 VAL 38 1HG2 VAL 38 -3.791 -1.300 -0.425 326 2HG2 VAL 38 2HG2 VAL 38 -4.287 0.251 -1.142 327 3HG2 VAL 38 3HG2 VAL 38 -5.483 -0.762 -0.299 328 H SER 39 H SER 39 -5.326 0.458 -5.697 329 HA SER 39 HA SER 39 -6.916 -1.686 -6.788 330 1HB SER 39 1HB SER 39 -6.679 1.068 -7.332 331 2HB SER 39 2HB SER 39 -5.914 0.299 -8.709 332 HG SER 39 HG SER 39 -8.614 0.344 -7.950 333 H GLY 40 H GLY 40 -4.178 -2.232 -5.797 334 1HA GLY 40 1HA GLY 40 -3.206 -3.803 -7.895 335 2HA GLY 40 2HA GLY 40 -2.299 -2.303 -7.894 336 H VAL 41 H VAL 41 -1.571 -5.186 -7.140 337 HA VAL 41 HA VAL 41 -0.128 -4.459 -4.753 338 HB VAL 41 HB VAL 41 -2.236 -5.284 -3.852 339 1HG1 VAL 41 1HG1 VAL 41 -1.781 -7.459 -5.823 340 2HG1 VAL 41 2HG1 VAL 41 -2.423 -7.957 -4.238 341 3HG1 VAL 41 3HG1 VAL 41 -3.298 -6.754 -5.216 342 1HG2 VAL 41 1HG2 VAL 41 -0.703 -7.628 -3.113 343 2HG2 VAL 41 2HG2 VAL 41 0.346 -6.193 -3.206 344 3HG2 VAL 41 3HG2 VAL 41 -1.092 -6.179 -2.157 345 H GLU 42 H GLU 42 1.855 -5.514 -4.647 346 HA GLU 42 HA GLU 42 2.217 -7.780 -6.397 347 1HB GLU 42 1HB GLU 42 4.194 -5.486 -6.563 348 2HB GLU 42 2HB GLU 42 4.021 -6.852 -7.648 349 1HG GLU 42 1HG GLU 42 1.865 -6.002 -8.471 350 2HG GLU 42 2HG GLU 42 1.867 -4.718 -7.276 351 HE2 GLU 42 HE GLU 42 4.236 -5.932 -9.513 352 H MET 43 H MET 43 3.681 -9.273 -5.556 353 HA MET 43 HA MET 43 5.401 -8.335 -3.420 354 1HB MET 43 1HB MET 43 4.138 -10.987 -2.910 355 2HB MET 43 2HB MET 43 4.417 -9.667 -1.791 356 1HG MET 43 1HG MET 43 2.470 -8.433 -2.964 357 2HG MET 43 2HG MET 43 2.121 -9.944 -3.781 358 1HE MET 43 1HE MET 43 0.894 -8.350 -0.021 359 2HE MET 43 2HE MET 43 1.022 -7.822 -1.716 360 3HE MET 43 3HE MET 43 -0.337 -8.851 -1.204 361 H SER 44 H SER 44 7.415 -8.846 -4.172 362 HA SER 44 HA SER 44 7.659 -11.409 -5.538 363 1HB SER 44 1HB SER 44 8.487 -8.826 -6.316 364 2HB SER 44 2HB SER 44 9.966 -9.613 -5.799 365 HG SER 44 HG SER 44 9.519 -11.361 -7.269 366 H ARG 45 H ARG 45 8.367 -12.951 -4.099 367 HA ARG 45 HA ARG 45 10.200 -12.064 -2.043 368 1HB ARG 45 1HB ARG 45 8.218 -14.297 -2.321 369 2HB ARG 45 2HB ARG 45 9.666 -14.685 -1.415 370 1HG ARG 45 1HG ARG 45 8.900 -13.542 0.386 371 2HG ARG 45 2HG ARG 45 8.749 -12.078 -0.564 372 1HD ARG 45 1HD ARG 45 6.565 -12.797 0.445 373 2HD ARG 45 2HD ARG 45 6.497 -12.710 -1.305 374 HE ARG 45 HE ARG 45 7.265 -15.357 -0.673 375 1HH1 ARG 45 2HH2 ARG 45 4.459 -13.262 -0.139 376 2HH1 ARG 45 1HH2 ARG 45 3.331 -14.575 -0.087 377 1HH2 ARG 45 1HH ARG 45 4.128 -16.818 -0.364 378 H ASP 46 H ASP 46 10.331 -13.231 -5.151 379 HA ASP 46 HA ASP 46 11.979 -15.420 -5.025 380 1HB ASP 46 1HB ASP 46 11.162 -13.411 -7.007 381 2HB ASP 46 2HB ASP 46 12.822 -13.906 -7.268 382 HD2 ASP 46 HD ASP 46 10.439 -16.997 -6.985 383 H LEU 47 H LEU 47 12.517 -12.108 -4.144 384 HA LEU 47 HA LEU 47 15.340 -12.661 -3.754 385 1HB LEU 47 1HB LEU 47 14.545 -11.256 -5.981 386 2HB LEU 47 2HB LEU 47 14.865 -9.975 -4.828 387 HG LEU 47 HG LEU 47 17.132 -11.134 -4.429 388 1HD1 LEU 47 1HD1 LEU 47 16.858 -13.252 -5.409 389 2HD1 LEU 47 2HD1 LEU 47 16.200 -12.568 -6.915 390 3HD1 LEU 47 3HD1 LEU 47 17.924 -12.360 -6.523 391 1HD2 LEU 47 1HD2 LEU 47 18.153 -9.763 -5.994 392 2HD2 LEU 47 2HD2 LEU 47 16.879 -10.020 -7.209 393 3HD2 LEU 47 3HD2 LEU 47 16.559 -8.999 -5.787 394 H ALA 48 H ALA 48 13.129 -9.781 -3.614 395 HA ALA 48 HA ALA 48 12.384 -9.771 -1.064 396 1HB ALA 48 1HB ALA 48 15.323 -9.185 -1.259 397 2HB ALA 48 2HB ALA 48 14.353 -8.266 -0.082 398 3HB ALA 48 3HB ALA 48 14.414 -10.043 0.009 399 H TYR 49 H TYR 49 11.231 -8.753 -3.201 400 HA TYR 49 HA TYR 49 11.243 -5.910 -2.658 401 1HB TYR 49 1HB TYR 49 11.565 -5.428 -5.100 402 2HB TYR 49 2HB TYR 49 12.945 -6.320 -4.492 403 HD1 TYR 49 HD1 TYR 49 13.309 -8.671 -5.130 404 HD2 TYR 49 HD2 TYR 49 10.004 -6.438 -6.678 405 HE1 TYR 49 HE1 TYR 49 12.961 -10.424 -6.939 406 HE2 TYR 49 HE2 TYR 49 9.668 -8.198 -8.482 407 HH TYR 49 HH TYR 49 11.990 -10.759 -8.955 408 H ALA 50 H ALA 50 9.203 -5.038 -2.856 409 HA ALA 50 HA ALA 50 7.242 -6.532 -4.410 410 1HB ALA 50 1HB ALA 50 5.667 -6.154 -2.360 411 2HB ALA 50 2HB ALA 50 6.810 -7.518 -2.324 412 3HB ALA 50 3HB ALA 50 7.180 -6.024 -1.431 413 H LYS 51 H LYS 51 5.255 -5.209 -4.808 414 HA LYS 51 HA LYS 51 5.611 -2.372 -4.283 415 1HB LYS 51 1HB LYS 51 4.828 -2.743 -7.046 416 2HB LYS 51 2HB LYS 51 6.099 -1.748 -6.367 417 1HG LYS 51 1HG LYS 51 7.555 -3.809 -6.178 418 2HG LYS 51 2HG LYS 51 6.294 -4.740 -6.961 419 1HD LYS 51 1HD LYS 51 7.834 -4.129 -8.702 420 2HD LYS 51 2HD LYS 51 6.428 -3.108 -8.927 421 1HE LYS 51 1HE LYS 51 7.525 -1.177 -8.103 422 2HE LYS 51 2HE LYS 51 8.707 -2.106 -7.202 423 1HZ LYS 51 1HZ LYS 51 8.984 -2.777 -9.911 424 2HZ LYS 51 2HZ LYS 51 8.935 -1.151 -9.833 425 H VAL 52 H VAL 52 3.731 -1.613 -3.484 426 HA VAL 52 HA VAL 52 1.288 -3.005 -4.342 427 HB VAL 52 HB VAL 52 2.212 -3.245 -1.915 428 1HG1 VAL 52 1HG1 VAL 52 0.817 -0.554 -1.715 429 2HG1 VAL 52 2HG1 VAL 52 1.442 -1.526 -0.362 430 3HG1 VAL 52 3HG1 VAL 52 2.568 -0.827 -1.549 431 1HG2 VAL 52 1HG2 VAL 52 0.138 -4.224 -2.410 432 2HG2 VAL 52 2HG2 VAL 52 -0.221 -3.122 -1.059 433 3HG2 VAL 52 3HG2 VAL 52 -0.636 -2.653 -2.725 434 H TYR 53 H TYR 53 -0.404 -1.748 -5.082 435 HA TYR 53 HA TYR 53 0.257 1.038 -5.551 436 1HB TYR 53 1HB TYR 53 -1.136 -1.135 -6.815 437 2HB TYR 53 2HB TYR 53 -2.394 0.000 -6.372 438 HD1 TYR 53 HD1 TYR 53 -0.454 2.483 -6.702 439 HD2 TYR 53 HD2 TYR 53 -1.513 -0.824 -9.201 440 HE1 TYR 53 HE1 TYR 53 0.072 3.868 -8.768 441 HE2 TYR 53 HE2 TYR 53 -0.983 0.572 -11.259 442 HH TYR 53 HH TYR 53 0.836 3.070 -11.321 443 H VAL 54 H VAL 54 -1.041 2.816 -4.903 444 HA VAL 54 HA VAL 54 -3.270 2.247 -3.135 445 HB VAL 54 HB VAL 54 -2.389 3.617 -1.342 446 1HG1 VAL 54 1HG1 VAL 54 -2.008 1.238 -1.162 447 2HG1 VAL 54 2HG1 VAL 54 -0.541 1.353 -2.164 448 3HG1 VAL 54 3HG1 VAL 54 -0.574 2.096 -0.548 449 1HG2 VAL 54 1HG2 VAL 54 -0.958 5.153 -2.497 450 2HG2 VAL 54 2HG2 VAL 54 0.054 4.242 -1.352 451 3HG2 VAL 54 3HG2 VAL 54 0.085 3.836 -3.085 452 H THR 55 H THR 55 -4.908 3.522 -3.810 453 HA THR 55 HA THR 55 -4.170 6.024 -5.174 454 HB THR 55 HB THR 55 -5.388 4.830 -6.768 455 HG1 THR 55 HG1 THR 55 -7.162 6.155 -6.694 456 1HG2 THR 55 1HG2 THR 55 -7.440 3.410 -6.031 457 2HG2 THR 55 2HG2 THR 55 -5.834 2.743 -5.647 458 3HG2 THR 55 3HG2 THR 55 -6.790 3.548 -4.379 459 H PHE 56 H PHE 56 -4.582 7.915 -4.221 460 HA PHE 56 HA PHE 56 -6.482 7.843 -1.985 461 1HB PHE 56 1HB PHE 56 -4.204 9.822 -2.548 462 2HB PHE 56 2HB PHE 56 -5.055 9.619 -1.029 463 HD1 PHE 56 HD1 PHE 56 -5.005 6.579 -0.948 464 HD2 PHE 56 HD2 PHE 56 -1.993 9.438 -1.823 465 HE1 PHE 56 HE1 PHE 56 -3.245 4.962 -0.180 466 HE2 PHE 56 HE2 PHE 56 -0.234 7.821 -1.056 467 HZ PHE 56 HZ PHE 56 -0.882 5.603 -0.244 468 H LEU 57 H LEU 57 -7.625 9.966 -1.572 469 HA LEU 57 HA LEU 57 -8.430 11.070 -4.149 470 1HB LEU 57 1HB LEU 57 -9.970 10.050 -2.286 471 2HB LEU 57 2HB LEU 57 -9.802 11.631 -1.550 472 HG LEU 57 HG LEU 57 -10.625 12.635 -3.721 473 1HD1 LEU 57 1HD1 LEU 57 -11.823 10.011 -4.461 474 2HD1 LEU 57 2HD1 LEU 57 -11.369 11.400 -5.478 475 3HD1 LEU 57 3HD1 LEU 57 -10.115 10.287 -4.878 476 1HD2 LEU 57 1HD2 LEU 57 -13.024 11.351 -3.193 477 2HD2 LEU 57 2HD2 LEU 57 -12.118 11.205 -1.667 478 3HD2 LEU 57 3HD2 LEU 57 -12.398 12.808 -2.386 479 H ASN 58 H ASN 58 -5.884 11.664 -2.434 480 HA ASN 58 HA ASN 58 -6.140 14.177 -1.362 481 1HB ASN 58 1HB ASN 58 -3.977 12.363 -2.170 482 2HB ASN 58 2HB ASN 58 -3.534 14.023 -2.511 483 1HD2 ASN 58 1HD2 ASN 58 -4.812 15.419 -0.553 484 2HD2 ASN 58 2HD2 ASN 58 -4.182 15.021 1.012 485 H ASP 59 H ASP 59 -5.732 12.994 -4.707 486 HA ASP 59 HA ASP 59 -4.712 15.006 -6.060 487 1HB ASP 59 1HB ASP 59 -6.554 14.493 -7.844 488 2HB ASP 59 2HB ASP 59 -5.483 13.195 -7.353 489 HD2 ASP 59 HD ASP 59 -8.638 14.437 -6.271 490 H LYS 60 H LYS 60 -7.924 14.889 -4.476 491 HA LYS 60 HA LYS 60 -9.285 16.907 -5.628 492 1HB LYS 60 1HB LYS 60 -9.197 15.651 -2.977 493 2HB LYS 60 2HB LYS 60 -9.790 17.298 -2.935 494 1HG LYS 60 1HG LYS 60 -11.607 16.828 -4.381 495 2HG LYS 60 2HG LYS 60 -10.835 15.410 -5.061 496 1HD LYS 60 1HD LYS 60 -12.536 14.558 -3.609 497 2HD LYS 60 2HD LYS 60 -11.034 14.321 -2.741 498 1HE LYS 60 1HE LYS 60 -11.513 15.969 -1.162 499 2HE LYS 60 2HE LYS 60 -12.443 16.936 -2.289 500 1HZ LYS 60 1HZ LYS 60 -14.006 14.797 -2.143 501 2HZ LYS 60 2HZ LYS 60 -13.334 14.684 -0.664 502 H ASP 61 H ASP 61 -6.641 17.212 -3.183 503 HA ASP 61 HA ASP 61 -6.480 20.003 -4.007 504 1HB ASP 61 1HB ASP 61 -5.610 19.081 -1.257 505 2HB ASP 61 2HB ASP 61 -6.047 20.696 -1.777 506 HD2 ASP 61 HD ASP 61 -8.895 20.314 -2.505 507 H GLU 62 H GLU 62 -4.448 20.451 -4.884 508 HA GLU 62 HA GLU 62 -2.503 18.446 -4.955 509 1HB GLU 62 1HB GLU 62 -2.952 20.322 -6.662 510 2HB GLU 62 2HB GLU 62 -2.071 21.391 -5.590 511 1HG GLU 62 1HG GLU 62 -0.272 19.359 -5.702 512 2HG GLU 62 2HG GLU 62 -1.054 19.103 -7.250 513 HE2 GLU 62 HE GLU 62 0.573 21.856 -5.521 514 H ASP 63 H ASP 63 -3.240 21.015 -2.694 515 HA ASP 63 HA ASP 63 -0.652 21.368 -1.697 516 1HB ASP 63 1HB ASP 63 -3.276 22.381 -1.211 517 2HB ASP 63 2HB ASP 63 -2.727 21.740 0.324 518 HD2 ASP 63 HD ASP 63 -1.780 23.425 1.482 519 H ALA 64 H ALA 64 -3.485 19.286 -0.840 520 HA ALA 64 HA ALA 64 -2.131 18.128 1.413 521 1HB ALA 64 1HB ALA 64 -4.177 16.846 1.655 522 2HB ALA 64 2HB ALA 64 -4.610 18.530 1.272 523 3HB ALA 64 3HB ALA 64 -4.694 17.279 0.008 524 H VAL 65 H VAL 65 -2.233 17.674 -2.033 525 HA VAL 65 HA VAL 65 -1.714 14.873 -2.002 526 HB VAL 65 HB VAL 65 -2.492 16.776 -3.850 527 1HG1 VAL 65 1HG1 VAL 65 -0.864 16.746 -5.647 528 2HG1 VAL 65 2HG1 VAL 65 -0.108 17.403 -4.175 529 3HG1 VAL 65 3HG1 VAL 65 0.235 15.732 -4.681 530 1HG2 VAL 65 1HG2 VAL 65 -1.958 13.875 -3.784 531 2HG2 VAL 65 2HG2 VAL 65 -3.376 14.770 -4.379 532 3HG2 VAL 65 3HG2 VAL 65 -1.936 14.595 -5.411 533 H LYS 66 H LYS 66 0.246 17.893 -2.214 534 HA LYS 66 HA LYS 66 2.684 16.428 -2.497 535 1HB LYS 66 1HB LYS 66 1.789 19.164 -2.698 536 2HB LYS 66 2HB LYS 66 3.202 19.085 -1.667 537 1HG LYS 66 1HG LYS 66 4.590 18.348 -3.371 538 2HG LYS 66 2HG LYS 66 3.325 17.421 -4.152 539 1HD LYS 66 1HD LYS 66 2.259 19.688 -4.806 540 2HD LYS 66 2HD LYS 66 3.754 20.435 -4.281 541 1HE LYS 66 1HE LYS 66 4.440 18.205 -5.981 542 2HE LYS 66 2HE LYS 66 3.193 19.130 -6.796 543 1HZ LYS 66 1HZ LYS 66 5.914 19.869 -6.297 544 2HZ LYS 66 2HZ LYS 66 4.857 20.523 -7.351 545 H ALA 67 H ALA 67 1.006 18.231 0.156 546 HA ALA 67 HA ALA 67 3.008 17.721 2.063 547 1HB ALA 67 1HB ALA 67 0.043 18.345 2.376 548 2HB ALA 67 2HB ALA 67 1.270 18.465 3.660 549 3HB ALA 67 3HB ALA 67 1.357 19.539 2.244 550 H GLY 68 H GLY 68 -0.189 16.142 1.372 551 1HA GLY 68 1HA GLY 68 -0.088 14.188 3.331 552 2HA GLY 68 2HA GLY 68 -0.929 14.064 1.800 553 H ILE 69 H ILE 69 0.797 13.803 -0.182 554 HA ILE 69 HA ILE 69 1.823 11.262 0.058 555 HB ILE 69 HB ILE 69 1.259 12.669 -2.002 556 1HG1 ILE 69 1HG1 ILE 69 3.823 11.190 -2.426 557 2HG1 ILE 69 2HG1 ILE 69 2.476 10.315 -1.728 558 1HG2 ILE 69 1HG2 ILE 69 3.029 14.434 -1.242 559 2HG2 ILE 69 2HG2 ILE 69 4.179 13.354 -2.067 560 3HG2 ILE 69 3HG2 ILE 69 2.818 14.063 -2.969 561 1HD1 ILE 69 1HD1 ILE 69 1.150 10.534 -3.640 562 2HD1 ILE 69 2HD1 ILE 69 1.953 12.038 -4.150 563 3HD1 ILE 69 3HD1 ILE 69 2.771 10.474 -4.372 564 H LYS 70 H LYS 70 3.277 14.431 0.815 565 HA LYS 70 HA LYS 70 5.925 13.522 1.003 566 1HB LYS 70 1HB LYS 70 5.441 15.862 0.748 567 2HB LYS 70 2HB LYS 70 4.477 15.891 2.210 568 1HG LYS 70 1HG LYS 70 6.846 14.883 3.194 569 2HG LYS 70 2HG LYS 70 7.446 15.895 1.895 570 1HD LYS 70 1HD LYS 70 7.263 17.629 3.359 571 2HD LYS 70 2HD LYS 70 5.537 17.545 3.066 572 1HE LYS 70 1HE LYS 70 5.152 16.200 5.020 573 2HE LYS 70 2HE LYS 70 6.849 15.792 5.179 574 1HZ LYS 70 1HZ LYS 70 6.191 17.533 6.754 575 2HZ LYS 70 2HZ LYS 70 7.307 18.121 5.724 576 H ALA 71 H ALA 71 3.134 13.491 3.231 577 HA ALA 71 HA ALA 71 4.701 12.763 5.497 578 1HB ALA 71 1HB ALA 71 1.758 12.896 4.814 579 2HB ALA 71 2HB ALA 71 2.307 12.161 6.339 580 3HB ALA 71 3HB ALA 71 2.683 13.865 5.986 581 H LEU 72 H LEU 72 2.826 11.058 2.949 582 HA LEU 72 HA LEU 72 3.070 8.518 4.189 583 1HB LEU 72 1HB LEU 72 1.546 9.604 2.198 584 2HB LEU 72 2HB LEU 72 2.674 8.630 1.278 585 HG LEU 72 HG LEU 72 1.866 6.925 3.328 586 1HD1 LEU 72 1HD1 LEU 72 -0.778 7.476 2.410 587 2HD1 LEU 72 2HD1 LEU 72 -0.147 7.477 4.074 588 3HD1 LEU 72 3HD1 LEU 72 -0.102 8.968 3.105 589 1HD2 LEU 72 1HD2 LEU 72 1.499 7.187 0.418 590 2HD2 LEU 72 2HD2 LEU 72 2.014 5.793 1.398 591 3HD2 LEU 72 3HD2 LEU 72 0.283 6.177 1.237 592 H GLN 73 H GLN 73 5.187 10.580 2.333 593 HA GLN 73 HA GLN 73 6.775 8.427 1.362 594 1HB GLN 73 1HB GLN 73 6.443 10.892 0.431 595 2HB GLN 73 2HB GLN 73 7.746 11.285 1.536 596 1HG GLN 73 1HG GLN 73 8.346 8.846 0.008 597 2HG GLN 73 2HG GLN 73 8.002 10.193 -1.059 598 1HE2 GLN 73 1HE2 GLN 73 9.245 12.076 -0.969 599 2HE2 GLN 73 2HE2 GLN 73 10.835 12.113 -0.280 600 H GLU 74 H GLU 74 6.975 10.887 4.004 601 HA GLU 74 HA GLU 74 9.503 10.035 4.860 602 1HB GLU 74 1HB GLU 74 9.266 11.628 6.569 603 2HB GLU 74 2HB GLU 74 8.232 12.273 5.311 604 1HG GLU 74 1HG GLU 74 6.722 12.390 7.055 605 2HG GLU 74 2HG GLU 74 6.386 10.745 6.555 606 HE2 GLU 74 HE GLU 74 6.590 10.107 9.741 607 H ALA 75 H ALA 75 6.197 8.920 5.407 608 HA ALA 75 HA ALA 75 7.055 7.282 7.663 609 1HB ALA 75 1HB ALA 75 4.279 7.093 6.633 610 2HB ALA 75 2HB ALA 75 4.870 7.317 8.297 611 3HB ALA 75 3HB ALA 75 4.767 8.710 7.193 612 H SER 76 H SER 76 7.830 7.013 4.653 613 HA SER 76 HA SER 76 6.534 4.834 3.603 614 1HB SER 76 1HB SER 76 7.972 6.060 2.164 615 2HB SER 76 2HB SER 76 9.325 5.968 3.274 616 HG SER 76 HG SER 76 9.431 4.512 1.361 617 H GLY 77 H GLY 77 9.919 4.719 4.933 618 1HA GLY 77 1HA GLY 77 10.123 2.013 5.267 619 2HA GLY 77 2HA GLY 77 10.951 3.208 6.246 620 H PHE 78 H PHE 78 8.131 4.283 7.083 621 HA PHE 78 HA PHE 78 7.993 2.744 9.457 622 1HB PHE 78 1HB PHE 78 6.927 5.199 8.220 623 2HB PHE 78 2HB PHE 78 5.636 4.345 9.041 624 HD1 PHE 78 HD1 PHE 78 7.975 6.823 9.457 625 HD2 PHE 78 HD2 PHE 78 6.466 3.408 11.473 626 HE1 PHE 78 HE1 PHE 78 8.733 7.783 11.651 627 HE2 PHE 78 HE2 PHE 78 7.224 4.366 13.665 628 HZ PHE 78 HZ PHE 78 8.350 6.543 13.728 629 H ILE 79 H ILE 79 5.894 3.105 6.529 630 HA ILE 79 HA ILE 79 3.910 1.344 7.495 631 HB ILE 79 HB ILE 79 3.201 1.350 5.080 632 1HG1 ILE 79 1HG1 ILE 79 5.296 3.483 4.676 633 2HG1 ILE 79 2HG1 ILE 79 5.629 1.803 4.305 634 1HG2 ILE 79 1HG2 ILE 79 2.753 3.913 5.151 635 2HG2 ILE 79 2HG2 ILE 79 2.060 2.861 6.410 636 3HG2 ILE 79 3HG2 ILE 79 3.518 3.823 6.756 637 1HD1 ILE 79 1HD1 ILE 79 4.380 1.867 2.406 638 2HD1 ILE 79 2HD1 ILE 79 3.023 2.664 3.236 639 3HD1 ILE 79 3HD1 ILE 79 4.375 3.635 2.608 640 H ARG 80 H ARG 80 6.888 0.966 5.526 641 HA ARG 80 HA ARG 80 6.375 -1.637 4.748 642 1HB ARG 80 1HB ARG 80 8.134 -0.254 3.703 643 2HB ARG 80 2HB ARG 80 9.019 -0.168 5.213 644 1HG ARG 80 1HG ARG 80 9.194 -2.730 5.138 645 2HG ARG 80 2HG ARG 80 8.527 -2.659 3.520 646 1HD ARG 80 1HD ARG 80 10.686 -2.417 2.814 647 2HD ARG 80 2HD ARG 80 10.554 -0.760 3.372 648 HE ARG 80 HE ARG 80 11.216 -2.273 5.653 649 1HH1 ARG 80 2HH2 ARG 80 12.695 -1.575 2.510 650 2HH1 ARG 80 1HH2 ARG 80 14.316 -1.749 3.095 651 1HH2 ARG 80 1HH ARG 80 14.680 -2.294 5.400 652 H SER 81 H SER 81 8.096 -0.234 7.606 653 HA SER 81 HA SER 81 8.885 -2.741 8.598 654 1HB SER 81 1HB SER 81 8.851 0.091 9.600 655 2HB SER 81 2HB SER 81 9.008 -1.176 10.800 656 HG SER 81 HG SER 81 10.755 -1.994 9.138 657 H LEU 82 H LEU 82 6.049 -0.595 9.025 658 HA LEU 82 HA LEU 82 4.980 -1.799 11.293 659 1HB LEU 82 1HB LEU 82 4.357 0.385 10.190 660 2HB LEU 82 2HB LEU 82 3.443 -0.545 9.020 661 HG LEU 82 HG LEU 82 1.716 -0.218 10.403 662 1HD1 LEU 82 1HD1 LEU 82 3.203 -2.329 11.983 663 2HD1 LEU 82 2HD1 LEU 82 1.513 -1.861 12.284 664 3HD1 LEU 82 3HD1 LEU 82 1.975 -2.572 10.718 665 1HD2 LEU 82 1HD2 LEU 82 3.515 1.242 11.797 666 2HD2 LEU 82 2HD2 LEU 82 1.823 1.002 12.295 667 3HD2 LEU 82 3HD2 LEU 82 3.112 0.001 13.005 668 H LEU 83 H LEU 83 4.719 -2.605 7.794 669 HA LEU 83 HA LEU 83 2.799 -4.636 8.175 670 1HB LEU 83 1HB LEU 83 4.784 -4.294 5.926 671 2HB LEU 83 2HB LEU 83 3.317 -5.251 5.894 672 HG LEU 83 HG LEU 83 2.953 -2.382 6.553 673 1HD1 LEU 83 1HD1 LEU 83 4.756 -2.808 4.582 674 2HD1 LEU 83 2HD1 LEU 83 3.242 -2.864 3.648 675 3HD1 LEU 83 3HD1 LEU 83 3.631 -1.429 4.628 676 1HD2 LEU 83 1HD2 LEU 83 0.958 -2.613 5.283 677 2HD2 LEU 83 2HD2 LEU 83 1.525 -4.126 4.535 678 3HD2 LEU 83 3HD2 LEU 83 1.120 -4.086 6.268 679 H GLY 84 H GLY 84 6.330 -4.911 7.337 680 1HA GLY 84 1HA GLY 84 6.732 -7.547 7.631 681 2HA GLY 84 2HA GLY 84 7.890 -6.339 8.153 682 H LYS 85 H LYS 85 6.751 -5.150 10.371 683 HA LYS 85 HA LYS 85 7.122 -7.166 12.320 684 1HB LYS 85 1HB LYS 85 6.667 -4.232 12.259 685 2HB LYS 85 2HB LYS 85 6.165 -5.052 13.723 686 1HG LYS 85 1HG LYS 85 8.349 -4.907 14.360 687 2HG LYS 85 2HG LYS 85 8.631 -6.234 13.250 688 1HD LYS 85 1HD LYS 85 10.115 -4.800 12.259 689 2HD LYS 85 2HD LYS 85 8.691 -4.123 11.495 690 1HE LYS 85 1HE LYS 85 9.685 -2.205 12.423 691 2HE LYS 85 2HE LYS 85 8.518 -2.628 13.660 692 1HZ LYS 85 1HZ LYS 85 10.730 -4.072 14.351 693 2HZ LYS 85 2HZ LYS 85 11.382 -2.680 13.815 694 H ALA 86 H ALA 86 4.281 -5.495 10.894 695 HA ALA 86 HA ALA 86 2.387 -6.426 12.710 696 1HB ALA 86 1HB ALA 86 2.293 -5.586 9.796 697 2HB ALA 86 2HB ALA 86 0.831 -6.043 10.699 698 3HB ALA 86 3HB ALA 86 1.807 -4.653 11.232 699 H MET 87 H MET 87 4.063 -7.968 9.979 700 HA MET 87 HA MET 87 2.400 -10.321 10.441 701 1HB MET 87 1HB MET 87 4.158 -9.788 7.997 702 2HB MET 87 2HB MET 87 2.838 -10.934 8.127 703 1HG MET 87 1HG MET 87 1.354 -9.362 7.435 704 2HG MET 87 2HG MET 87 1.800 -8.313 8.765 705 1HE MET 87 1HE MET 87 1.685 -9.078 5.304 706 2HE MET 87 2HE MET 87 1.177 -7.372 5.357 707 3HE MET 87 3HE MET 87 2.629 -7.840 4.442 708 H ARG 88 H ARG 88 5.074 -9.144 11.682 709 HA ARG 88 HA ARG 88 7.202 -9.838 11.923 710 1HB ARG 88 1HB ARG 88 5.265 -11.792 13.188 711 2HB ARG 88 2HB ARG 88 6.982 -12.105 13.350 712 1HG ARG 88 1HG ARG 88 6.899 -9.421 13.978 713 2HG ARG 88 2HG ARG 88 5.326 -9.934 14.557 714 1HD ARG 88 1HD ARG 88 6.335 -11.655 15.984 715 2HD ARG 88 2HD ARG 88 7.918 -11.378 15.285 716 HE ARG 88 HE ARG 88 6.973 -8.892 16.324 717 1HH1 ARG 88 2HH2 ARG 88 8.043 -12.058 17.503 718 2HH1 ARG 88 1HH2 ARG 88 8.604 -11.441 19.021 719 1HH2 ARG 88 1HH ARG 88 8.401 -9.098 19.484 720 H LEU 89 H LEU 89 7.691 -10.256 9.560 721 HA LEU 89 HA LEU 89 7.874 -13.138 9.022 722 1HB LEU 89 1HB LEU 89 6.632 -11.158 7.541 723 2HB LEU 89 2HB LEU 89 8.179 -11.347 6.738 724 HG LEU 89 HG LEU 89 7.704 -13.845 6.650 725 1HD1 LEU 89 1HD1 LEU 89 5.002 -12.867 7.586 726 2HD1 LEU 89 2HD1 LEU 89 5.231 -14.404 6.717 727 3HD1 LEU 89 3HD1 LEU 89 6.027 -14.140 8.289 728 1HD2 LEU 89 1HD2 LEU 89 7.192 -11.866 4.883 729 2HD2 LEU 89 2HD2 LEU 89 6.918 -13.593 4.552 730 3HD2 LEU 89 3HD2 LEU 89 5.561 -12.557 5.061 731 H ARG 90 H ARG 90 9.705 -12.552 6.726 732 HA ARG 90 HA ARG 90 11.990 -11.498 8.136 733 1HB ARG 90 1HB ARG 90 13.193 -13.633 6.915 734 2HB ARG 90 2HB ARG 90 12.655 -13.661 8.582 735 1HG ARG 90 1HG ARG 90 10.721 -14.909 8.091 736 2HG ARG 90 2HG ARG 90 10.659 -14.363 6.426 737 1HD ARG 90 1HD ARG 90 12.744 -16.283 7.572 738 2HD ARG 90 2HD ARG 90 11.372 -16.751 6.587 739 HE ARG 90 HE ARG 90 12.857 -14.732 5.192 740 1HH1 ARG 90 2HH2 ARG 90 13.138 -18.131 6.153 741 2HH1 ARG 90 1HH2 ARG 90 14.183 -18.546 4.836 742 1HH2 ARG 90 1HH ARG 90 14.815 -16.853 3.261 743 H ILE 91 H ILE 91 10.626 -12.935 5.105 744 HA ILE 91 HA ILE 91 12.452 -12.279 3.262 745 HB ILE 91 HB ILE 91 10.396 -11.747 1.786 746 1HG1 ILE 91 1HG1 ILE 91 8.695 -13.091 3.785 747 2HG1 ILE 91 2HG1 ILE 91 9.131 -11.447 4.205 748 1HG2 ILE 91 1HG2 ILE 91 9.834 -14.412 2.685 749 2HG2 ILE 91 2HG2 ILE 91 10.693 -13.871 1.223 750 3HG2 ILE 91 3HG2 ILE 91 11.591 -14.130 2.738 751 1HD1 ILE 91 1HD1 ILE 91 7.776 -10.575 2.604 752 2HD1 ILE 91 2HD1 ILE 91 8.416 -11.677 1.362 753 3HD1 ILE 91 3HD1 ILE 91 7.099 -12.213 2.433 754 H VAL 92 H VAL 92 10.396 -10.035 5.109 755 HA VAL 92 HA VAL 92 10.070 -7.793 4.712 756 HB VAL 92 HB VAL 92 13.011 -8.016 5.378 757 1HG1 VAL 92 1HG1 VAL 92 12.320 -5.961 6.824 758 2HG1 VAL 92 2HG1 VAL 92 12.606 -5.743 5.080 759 3HG1 VAL 92 3HG1 VAL 92 10.942 -5.852 5.703 760 1HG2 VAL 92 1HG2 VAL 92 12.488 -8.463 7.607 761 2HG2 VAL 92 2HG2 VAL 92 10.802 -7.921 7.427 762 3HG2 VAL 92 3HG2 VAL 92 11.320 -9.470 6.718 763 HA PRO 93 HA PRO 93 11.939 -7.574 0.551 764 1HB PRO 93 1HB PRO 93 9.656 -7.692 -0.946 765 2HB PRO 93 2HB PRO 93 10.659 -9.091 -0.615 766 1HG PRO 93 1HG PRO 93 8.045 -8.361 0.561 767 2HG PRO 93 2HG PRO 93 8.847 -9.919 0.550 768 1HD PRO 93 1HD PRO 93 8.671 -8.096 2.757 769 2HD PRO 93 2HD PRO 93 9.570 -9.598 2.709 770 H GLU 94 H GLU 94 11.970 -5.833 -1.008 771 HA GLU 94 HA GLU 94 11.382 -3.446 0.318 772 1HB GLU 94 1HB GLU 94 12.910 -4.257 -1.909 773 2HB GLU 94 2HB GLU 94 11.721 -3.160 -2.583 774 1HG GLU 94 1HG GLU 94 12.355 -1.393 -1.006 775 2HG GLU 94 2HG GLU 94 13.397 -2.490 -0.122 776 HE2 GLU 94 HE GLU 94 15.818 -2.824 -2.070 777 H LEU 95 H LEU 95 8.988 -4.389 0.638 778 HA LEU 95 HA LEU 95 7.243 -4.111 -1.577 779 1HB LEU 95 1HB LEU 95 7.041 -5.462 0.645 780 2HB LEU 95 2HB LEU 95 6.381 -3.973 1.292 781 HG LEU 95 HG LEU 95 5.099 -4.633 -1.225 782 1HD1 LEU 95 1HD1 LEU 95 5.873 -6.938 -0.065 783 2HD1 LEU 95 2HD1 LEU 95 4.337 -6.668 0.792 784 3HD1 LEU 95 3HD1 LEU 95 4.360 -6.753 -0.986 785 1HD2 LEU 95 1HD2 LEU 95 3.280 -3.826 -0.176 786 2HD2 LEU 95 2HD2 LEU 95 3.576 -4.772 1.303 787 3HD2 LEU 95 3HD2 LEU 95 4.466 -3.256 1.023 788 H THR 96 H THR 96 7.587 -2.080 -2.550 789 HA THR 96 HA THR 96 7.360 0.291 -0.907 790 HB THR 96 HB THR 96 8.879 -0.228 -3.039 791 HG1 THR 96 HG1 THR 96 8.923 1.848 -2.123 792 1HG2 THR 96 1HG2 THR 96 6.527 -0.526 -4.362 793 2HG2 THR 96 2HG2 THR 96 6.664 1.247 -4.451 794 3HG2 THR 96 3HG2 THR 96 7.947 0.220 -5.133 795 H PHE 97 H PHE 97 5.857 2.092 -1.657 796 HA PHE 97 HA PHE 97 3.278 0.902 -2.402 797 1HB PHE 97 1HB PHE 97 2.283 2.445 -0.731 798 2HB PHE 97 2HB PHE 97 3.536 1.508 0.059 799 HD1 PHE 97 HD1 PHE 97 2.313 4.764 -0.579 800 HD2 PHE 97 HD2 PHE 97 5.889 2.612 0.185 801 HE1 PHE 97 HE1 PHE 97 3.431 6.885 0.163 802 HE2 PHE 97 HE2 PHE 97 7.008 4.734 0.926 803 HZ PHE 97 HZ PHE 97 5.766 6.845 0.907 804 H PHE 98 H PHE 98 2.773 1.648 -4.410 805 HA PHE 98 HA PHE 98 3.775 4.237 -5.220 806 1HB PHE 98 1HB PHE 98 2.852 1.688 -6.370 807 2HB PHE 98 2HB PHE 98 1.990 3.012 -7.128 808 HD1 PHE 98 HD1 PHE 98 2.902 3.746 -9.101 809 HD2 PHE 98 HD2 PHE 98 5.515 2.325 -6.074 810 HE1 PHE 98 HE1 PHE 98 4.869 4.170 -10.601 811 HE2 PHE 98 HE2 PHE 98 7.482 2.749 -7.573 812 HZ PHE 98 HZ PHE 98 7.137 3.666 -9.819 813 H TYR 99 H TYR 99 2.634 6.057 -4.774 814 HA TYR 99 HA TYR 99 -0.192 5.835 -4.199 815 1HB TYR 99 1HB TYR 99 0.680 8.540 -4.261 816 2HB TYR 99 2HB TYR 99 0.608 7.535 -2.826 817 HD1 TYR 99 HD1 TYR 99 2.582 6.905 -1.686 818 HD2 TYR 99 HD2 TYR 99 2.854 8.547 -5.627 819 HE1 TYR 99 HE1 TYR 99 5.107 7.072 -1.449 820 HE2 TYR 99 HE2 TYR 99 5.379 8.711 -5.377 821 HH TYR 99 HH TYR 99 7.114 7.135 -3.577 822 H ASP 100 H ASP 100 -1.584 5.743 -5.903 823 HA ASP 100 HA ASP 100 -0.943 7.482 -8.153 824 1HB ASP 100 1HB ASP 100 -1.575 4.735 -8.075 825 2HB ASP 100 2HB ASP 100 -3.071 5.489 -8.589 826 HD2 ASP 100 HD ASP 100 -0.672 7.135 -10.928 827 H ASN 101 H ASN 101 -2.070 9.396 -7.543 828 HA ASN 101 HA ASN 101 -4.793 9.046 -6.620 829 1HB ASN 101 1HB ASN 101 -3.513 11.768 -6.857 830 2HB ASN 101 2HB ASN 101 -4.598 11.166 -5.619 831 1HD2 ASN 101 1HD2 ASN 101 -1.697 12.331 -5.930 832 2HD2 ASN 101 2HD2 ASN 101 -0.764 11.402 -4.803 833 H SER 102 H SER 102 -6.119 11.276 -7.472 834 HA SER 102 HA SER 102 -6.283 10.832 -10.276 835 1HB SER 102 1HB SER 102 -8.397 11.639 -10.044 836 2HB SER 102 2HB SER 102 -8.096 11.526 -8.321 837 HG SER 102 HG SER 102 -8.706 13.722 -9.654 838 H LEU 103 H LEU 103 -4.015 12.429 -8.625 839 HA LEU 103 HA LEU 103 -4.126 14.930 -10.102 840 1HB LEU 103 1HB LEU 103 -3.611 14.868 -7.677 841 2HB LEU 103 2HB LEU 103 -2.155 13.958 -8.031 842 HG LEU 103 HG LEU 103 -1.894 16.172 -9.671 843 1HD1 LEU 103 1HD1 LEU 103 -2.961 17.158 -7.015 844 2HD1 LEU 103 2HD1 LEU 103 -2.378 18.137 -8.382 845 3HD1 LEU 103 3HD1 LEU 103 -3.874 17.183 -8.542 846 1HD2 LEU 103 1HD2 LEU 103 -0.753 15.306 -7.052 847 2HD2 LEU 103 2HD2 LEU 103 0.030 15.511 -8.636 848 3HD2 LEU 103 3HD2 LEU 103 -0.367 16.938 -7.648 849 H VAL 104 H VAL 104 -3.352 11.837 -10.861 850 HA VAL 104 HA VAL 104 -1.304 12.753 -12.734 851 HB VAL 104 HB VAL 104 -0.978 10.841 -10.547 852 1HG1 VAL 104 1HG1 VAL 104 0.304 9.176 -11.780 853 2HG1 VAL 104 2HG1 VAL 104 -1.367 9.236 -12.392 854 3HG1 VAL 104 3HG1 VAL 104 -0.053 10.003 -13.316 855 1HG2 VAL 104 1HG2 VAL 104 0.458 12.918 -11.802 856 2HG2 VAL 104 2HG2 VAL 104 0.967 11.925 -10.416 857 3HG2 VAL 104 3HG2 VAL 104 1.406 11.435 -12.068 858 H GLU 105 H GLU 105 -4.351 11.737 -12.336 859 HA GLU 105 HA GLU 105 -4.337 10.479 -14.909 860 1HB GLU 105 1HB GLU 105 -4.794 8.964 -12.401 861 2HB GLU 105 2HB GLU 105 -6.062 8.751 -13.590 862 1HG GLU 105 1HG GLU 105 -4.392 8.106 -15.306 863 2HG GLU 105 2HG GLU 105 -3.084 8.409 -14.180 864 HE2 GLU 105 HE GLU 105 -5.012 5.956 -15.292 865 H GLY 106 H GLY 106 -6.062 11.725 -12.025 866 1HA GLY 106 1HA GLY 106 -7.735 13.319 -12.104 867 2HA GLY 106 2HA GLY 106 -8.039 12.950 -13.790 868 H MET 107 H MET 107 -7.893 9.914 -12.951 869 HA MET 107 HA MET 107 -10.640 9.864 -11.970 870 1HB MET 107 1HB MET 107 -10.974 7.898 -13.331 871 2HB MET 107 2HB MET 107 -10.059 8.990 -14.351 872 1HG MET 107 1HG MET 107 -8.029 7.639 -13.012 873 2HG MET 107 2HG MET 107 -9.245 6.387 -13.166 874 1HE MET 107 1HE MET 107 -7.594 9.268 -14.740 875 2HE MET 107 2HE MET 107 -6.361 8.211 -15.471 876 3HE MET 107 3HE MET 107 -7.591 8.987 -16.497 877 H ARG 108 H ARG 108 -7.898 9.862 -10.514 878 HA ARG 108 HA ARG 108 -8.430 7.406 -9.045 879 1HB ARG 108 1HB ARG 108 -5.779 8.681 -9.823 880 2HB ARG 108 2HB ARG 108 -5.873 7.615 -8.435 881 1HG ARG 108 1HG ARG 108 -6.401 6.959 -11.352 882 2HG ARG 108 2HG ARG 108 -5.280 6.183 -10.249 883 1HD ARG 108 1HD ARG 108 -7.533 5.635 -8.883 884 2HD ARG 108 2HD ARG 108 -8.274 5.851 -10.456 885 HE ARG 108 HE ARG 108 -5.928 4.130 -10.597 886 1HH1 ARG 108 2HH2 ARG 108 -9.383 4.165 -9.807 887 2HH1 ARG 108 1HH2 ARG 108 -9.599 2.477 -10.128 888 1HH2 ARG 108 1HH ARG 108 -7.722 1.167 -10.839 Start of MODEL 9 1 H MET 1 H MET 1 -9.145 -8.485 -4.481 2 HA MET 1 HA MET 1 -8.080 -8.708 -2.458 3 1HB MET 1 1HB MET 1 -10.966 -8.029 -2.497 4 2HB MET 1 2HB MET 1 -10.439 -8.535 -0.903 5 1HG MET 1 1HG MET 1 -8.651 -6.837 -0.897 6 2HG MET 1 2HG MET 1 -9.002 -6.404 -2.559 7 1HE MET 1 1HE MET 1 -11.261 -7.048 0.729 8 2HE MET 1 2HE MET 1 -9.791 -6.106 1.078 9 3HE MET 1 3HE MET 1 -11.391 -5.333 1.190 10 H ALA 2 H ALA 2 -10.642 -11.112 -3.028 11 HA ALA 2 HA ALA 2 -9.380 -12.786 -0.973 12 1HB ALA 2 1HB ALA 2 -11.315 -12.999 0.154 13 2HB ALA 2 2HB ALA 2 -11.957 -11.664 -0.833 14 3HB ALA 2 3HB ALA 2 -12.215 -13.350 -1.341 15 H LYS 3 H LYS 3 -8.473 -14.520 -1.950 16 HA LYS 3 HA LYS 3 -9.990 -15.863 -4.021 17 1HB LYS 3 1HB LYS 3 -8.156 -14.011 -4.844 18 2HB LYS 3 2HB LYS 3 -7.160 -15.450 -4.770 19 1HG LYS 3 1HG LYS 3 -9.795 -15.166 -6.288 20 2HG LYS 3 2HG LYS 3 -8.197 -15.235 -7.004 21 1HD LYS 3 1HD LYS 3 -8.425 -17.488 -7.118 22 2HD LYS 3 2HD LYS 3 -8.303 -17.532 -5.372 23 1HE LYS 3 1HE LYS 3 -10.395 -18.453 -5.447 24 2HE LYS 3 2HE LYS 3 -10.949 -16.807 -5.678 25 1HZ LYS 3 1HZ LYS 3 -11.834 -17.769 -7.541 26 2HZ LYS 3 2HZ LYS 3 -10.377 -17.429 -8.188 27 H GLU 4 H GLU 4 -10.259 -17.491 -2.407 28 HA GLU 4 HA GLU 4 -7.963 -18.557 -1.141 29 1HB GLU 4 1HB GLU 4 -10.367 -18.519 -0.234 30 2HB GLU 4 2HB GLU 4 -10.721 -19.833 -1.339 31 1HG GLU 4 1HG GLU 4 -9.572 -21.374 -0.085 32 2HG GLU 4 2HG GLU 4 -8.259 -20.269 0.262 33 HE2 GLU 4 HE GLU 4 -8.924 -21.395 2.607 34 H PHE 5 H PHE 5 -6.552 -19.149 -2.905 35 HA PHE 5 HA PHE 5 -7.338 -21.691 -4.099 36 1HB PHE 5 1HB PHE 5 -7.560 -19.392 -5.530 37 2HB PHE 5 2HB PHE 5 -5.823 -19.571 -5.679 38 HD1 PHE 5 HD1 PHE 5 -7.612 -19.561 -8.020 39 HD2 PHE 5 HD2 PHE 5 -6.322 -22.784 -5.582 40 HE1 PHE 5 HE1 PHE 5 -7.938 -21.143 -9.941 41 HE2 PHE 5 HE2 PHE 5 -6.647 -24.367 -7.503 42 HZ PHE 5 HZ PHE 5 -7.452 -23.528 -9.658 43 H GLY 6 H GLY 6 -5.759 -23.190 -3.791 44 1HA GLY 6 1HA GLY 6 -3.538 -22.951 -2.331 45 2HA GLY 6 2HA GLY 6 -3.662 -24.058 -3.682 46 H ARG 7 H ARG 7 -3.972 -21.735 -5.647 47 HA ARG 7 HA ARG 7 -1.359 -21.585 -6.409 48 1HB ARG 7 1HB ARG 7 -3.908 -20.491 -7.252 49 2HB ARG 7 2HB ARG 7 -2.714 -19.212 -7.336 50 1HG ARG 7 1HG ARG 7 -1.262 -21.236 -8.454 51 2HG ARG 7 2HG ARG 7 -2.872 -21.771 -8.894 52 1HD ARG 7 1HD ARG 7 -3.113 -20.119 -10.454 53 2HD ARG 7 2HD ARG 7 -2.538 -18.881 -9.354 54 HE ARG 7 HE ARG 7 -0.264 -20.391 -10.063 55 1HH1 ARG 7 2HH2 ARG 7 -2.653 -18.380 -11.737 56 2HH1 ARG 7 1HH2 ARG 7 -1.556 -17.905 -12.992 57 1HH2 ARG 7 1HH ARG 7 0.694 -18.730 -12.960 58 HA PRO 8 HA PRO 8 0.294 -18.094 -4.353 59 1HB PRO 8 1HB PRO 8 1.354 -16.437 -6.251 60 2HB PRO 8 2HB PRO 8 2.140 -17.910 -5.718 61 1HG PRO 8 1HG PRO 8 0.691 -17.391 -8.242 62 2HG PRO 8 2HG PRO 8 1.825 -18.674 -7.870 63 1HD PRO 8 1HD PRO 8 -1.031 -18.896 -8.015 64 2HD PRO 8 2HD PRO 8 0.094 -20.149 -7.531 65 H GLN 9 H GLN 9 -2.503 -17.778 -5.864 66 HA GLN 9 HA GLN 9 -2.724 -14.952 -5.731 67 1HB GLN 9 1HB GLN 9 -4.125 -17.017 -6.994 68 2HB GLN 9 2HB GLN 9 -5.251 -16.474 -5.766 69 1HG GLN 9 1HG GLN 9 -5.761 -14.664 -7.027 70 2HG GLN 9 2HG GLN 9 -4.101 -14.113 -6.912 71 1HE2 GLN 9 1HE2 GLN 9 -4.366 -13.264 -9.022 72 2HE2 GLN 9 2HE2 GLN 9 -4.212 -14.263 -10.430 73 H ARG 10 H ARG 10 -3.703 -17.774 -3.719 74 HA ARG 10 HA ARG 10 -5.318 -16.452 -1.966 75 1HB ARG 10 1HB ARG 10 -4.817 -18.977 -2.143 76 2HB ARG 10 2HB ARG 10 -3.371 -18.681 -1.200 77 1HG ARG 10 1HG ARG 10 -5.958 -17.590 -0.114 78 2HG ARG 10 2HG ARG 10 -5.744 -19.329 -0.063 79 1HD ARG 10 1HD ARG 10 -3.288 -18.503 0.877 80 2HD ARG 10 2HD ARG 10 -4.302 -17.195 1.456 81 HE ARG 10 HE ARG 10 -5.781 -19.355 2.211 82 1HH1 ARG 10 2HH2 ARG 10 -2.321 -18.688 2.573 83 2HH1 ARG 10 1HH2 ARG 10 -2.165 -19.626 4.021 84 1HH2 ARG 10 1HH ARG 10 -4.092 -20.737 4.913 85 H VAL 11 H VAL 11 -1.746 -17.123 -1.719 86 HA VAL 11 HA VAL 11 -1.380 -15.759 0.688 87 HB VAL 11 HB VAL 11 0.097 -17.362 -0.926 88 1HG1 VAL 11 1HG1 VAL 11 1.358 -14.607 -1.145 89 2HG1 VAL 11 2HG1 VAL 11 2.065 -16.145 -1.698 90 3HG1 VAL 11 3HG1 VAL 11 0.598 -15.506 -2.481 91 1HG2 VAL 11 1HG2 VAL 11 0.839 -17.510 1.198 92 2HG2 VAL 11 2HG2 VAL 11 2.047 -16.309 0.681 93 3HG2 VAL 11 3HG2 VAL 11 0.569 -15.782 1.522 94 H ALA 12 H ALA 12 -1.319 -14.705 -2.750 95 HA ALA 12 HA ALA 12 -0.288 -12.156 -2.305 96 1HB ALA 12 1HB ALA 12 -1.936 -11.864 -4.476 97 2HB ALA 12 2HB ALA 12 -0.305 -12.573 -4.539 98 3HB ALA 12 3HB ALA 12 -1.734 -13.630 -4.432 99 H GLN 13 H GLN 13 -3.622 -13.495 -2.113 100 HA GLN 13 HA GLN 13 -4.813 -10.973 -1.778 101 1HB GLN 13 1HB GLN 13 -5.746 -13.813 -1.209 102 2HB GLN 13 2HB GLN 13 -6.770 -12.420 -0.920 103 1HG GLN 13 1HG GLN 13 -5.674 -13.433 -3.562 104 2HG GLN 13 2HG GLN 13 -7.343 -13.129 -3.122 105 1HE2 GLN 13 1HE2 GLN 13 -4.272 -11.718 -4.002 106 2HE2 GLN 13 2HE2 GLN 13 -4.838 -10.140 -4.437 107 H GLU 14 H GLU 14 -4.394 -13.714 0.591 108 HA GLU 14 HA GLU 14 -5.168 -12.550 2.821 109 1HB GLU 14 1HB GLU 14 -3.065 -14.544 2.161 110 2HB GLU 14 2HB GLU 14 -2.890 -13.810 3.742 111 1HG GLU 14 1HG GLU 14 -5.693 -14.488 3.242 112 2HG GLU 14 2HG GLU 14 -4.675 -15.894 3.005 113 HE2 GLU 14 HE GLU 14 -6.356 -14.580 5.474 114 H MET 15 H MET 15 -1.963 -12.025 1.237 115 HA MET 15 HA MET 15 -1.038 -10.330 3.282 116 1HB MET 15 1HB MET 15 -0.137 -11.424 0.707 117 2HB MET 15 2HB MET 15 0.305 -9.733 0.823 118 1HG MET 15 1HG MET 15 0.959 -10.693 3.364 119 2HG MET 15 2HG MET 15 1.351 -12.058 2.337 120 1HE MET 15 1HE MET 15 4.699 -10.658 2.984 121 2HE MET 15 2HE MET 15 3.741 -9.410 3.813 122 3HE MET 15 3HE MET 15 3.253 -11.119 3.912 123 H GLN 16 H GLN 16 -2.674 -9.833 0.113 124 HA GLN 16 HA GLN 16 -2.322 -7.090 0.017 125 1HB GLN 16 1HB GLN 16 -3.127 -8.706 -1.824 126 2HB GLN 16 2HB GLN 16 -4.719 -8.596 -1.100 127 1HG GLN 16 1HG GLN 16 -3.676 -5.913 -1.374 128 2HG GLN 16 2HG GLN 16 -3.452 -6.741 -2.902 129 1HE2 GLN 16 1HE2 GLN 16 -5.045 -4.898 -3.328 130 2HE2 GLN 16 2HE2 GLN 16 -6.730 -5.299 -3.288 131 H LYS 17 H LYS 17 -4.644 -9.160 1.749 132 HA LYS 17 HA LYS 17 -6.415 -7.011 2.378 133 1HB LYS 17 1HB LYS 17 -6.844 -9.595 2.213 134 2HB LYS 17 2HB LYS 17 -6.305 -9.614 3.877 135 1HG LYS 17 1HG LYS 17 -8.354 -7.551 3.062 136 2HG LYS 17 2HG LYS 17 -8.880 -9.212 3.258 137 1HD LYS 17 1HD LYS 17 -7.244 -7.812 5.410 138 2HD LYS 17 2HD LYS 17 -8.987 -7.639 5.339 139 1HE LYS 17 1HE LYS 17 -7.817 -10.424 5.231 140 2HE LYS 17 2HE LYS 17 -7.845 -9.593 6.774 141 1HZ LYS 17 1HZ LYS 17 -10.313 -9.161 6.179 142 2HZ LYS 17 2HZ LYS 17 -10.146 -10.370 5.099 143 H GLU 18 H GLU 18 -3.670 -8.710 3.968 144 HA GLU 18 HA GLU 18 -4.004 -7.389 6.411 145 1HB GLU 18 1HB GLU 18 -2.712 -9.538 5.992 146 2HB GLU 18 2HB GLU 18 -1.439 -8.577 5.267 147 1HG GLU 18 1HG GLU 18 -0.696 -8.758 7.490 148 2HG GLU 18 2HG GLU 18 -1.498 -7.201 7.507 149 HE2 GLU 18 HE GLU 18 -2.948 -10.538 9.036 150 H ILE 19 H ILE 19 -2.149 -6.688 3.415 151 HA ILE 19 HA ILE 19 -0.810 -4.449 4.585 152 HB ILE 19 HB ILE 19 0.217 -4.185 2.505 153 1HG1 ILE 19 1HG1 ILE 19 -2.131 -5.692 1.338 154 2HG1 ILE 19 2HG1 ILE 19 -1.640 -4.039 1.019 155 1HG2 ILE 19 1HG2 ILE 19 -0.024 -6.802 3.667 156 2HG2 ILE 19 2HG2 ILE 19 0.205 -6.944 1.908 157 3HG2 ILE 19 3HG2 ILE 19 1.379 -6.034 2.887 158 1HD1 ILE 19 1HD1 ILE 19 -0.425 -6.609 0.033 159 2HD1 ILE 19 2HD1 ILE 19 -0.725 -5.089 -0.843 160 3HD1 ILE 19 3HD1 ILE 19 0.654 -5.215 0.277 161 H ALA 20 H ALA 20 -3.726 -5.041 2.578 162 HA ALA 20 HA ALA 20 -4.233 -2.378 1.924 163 1HB ALA 20 1HB ALA 20 -5.348 -4.155 0.760 164 2HB ALA 20 2HB ALA 20 -6.007 -4.822 2.273 165 3HB ALA 20 3HB ALA 20 -6.605 -3.265 1.653 166 H LEU 21 H LEU 21 -4.804 -4.302 4.872 167 HA LEU 21 HA LEU 21 -6.559 -2.370 6.025 168 1HB LEU 21 1HB LEU 21 -6.855 -4.610 6.669 169 2HB LEU 21 2HB LEU 21 -5.153 -4.834 7.017 170 HG LEU 21 HG LEU 21 -6.186 -2.727 8.690 171 1HD1 LEU 21 1HD1 LEU 21 -7.583 -5.231 9.446 172 2HD1 LEU 21 2HD1 LEU 21 -8.058 -3.529 9.666 173 3HD1 LEU 21 3HD1 LEU 21 -8.273 -4.316 8.084 174 1HD2 LEU 21 1HD2 LEU 21 -5.604 -4.792 10.364 175 2HD2 LEU 21 2HD2 LEU 21 -4.676 -5.251 8.917 176 3HD2 LEU 21 3HD2 LEU 21 -4.405 -3.667 9.683 177 H ILE 22 H ILE 22 -3.161 -3.431 6.779 178 HA ILE 22 HA ILE 22 -2.674 -1.353 8.564 179 HB ILE 22 HB ILE 22 -0.742 -2.927 6.858 180 1HG1 ILE 22 1HG1 ILE 22 -1.405 -3.544 9.724 181 2HG1 ILE 22 2HG1 ILE 22 -2.463 -4.116 8.449 182 1HG2 ILE 22 1HG2 ILE 22 0.073 -0.766 7.980 183 2HG2 ILE 22 2HG2 ILE 22 -0.139 -1.640 9.516 184 3HG2 ILE 22 3HG2 ILE 22 0.986 -2.263 8.284 185 1HD1 ILE 22 1HD1 ILE 22 -0.618 -5.737 9.115 186 2HD1 ILE 22 2HD1 ILE 22 -0.667 -5.345 7.379 187 3HD1 ILE 22 3HD1 ILE 22 0.551 -4.583 8.431 188 H LEU 23 H LEU 23 -2.979 -1.388 5.098 189 HA LEU 23 HA LEU 23 -1.390 1.001 4.758 190 1HB LEU 23 1HB LEU 23 -1.327 -0.740 3.076 191 2HB LEU 23 2HB LEU 23 -3.063 -0.638 2.852 192 HG LEU 23 HG LEU 23 -1.422 1.829 2.403 193 1HD1 LEU 23 1HD1 LEU 23 -0.372 1.148 0.549 194 2HD1 LEU 23 2HD1 LEU 23 -0.626 -0.496 1.183 195 3HD1 LEU 23 3HD1 LEU 23 -1.761 0.186 -0.006 196 1HD2 LEU 23 1HD2 LEU 23 -4.064 1.407 2.263 197 2HD2 LEU 23 2HD2 LEU 23 -3.209 2.579 1.232 198 3HD2 LEU 23 3HD2 LEU 23 -3.618 0.966 0.597 199 H GLN 24 H GLN 24 -4.595 0.132 5.703 200 HA GLN 24 HA GLN 24 -5.492 2.811 4.976 201 1HB GLN 24 1HB GLN 24 -6.794 0.164 4.890 202 2HB GLN 24 2HB GLN 24 -7.771 1.366 5.708 203 1HG GLN 24 1HG GLN 24 -7.789 2.822 3.795 204 2HG GLN 24 2HG GLN 24 -6.463 1.970 3.029 205 1HE2 GLN 24 1HE2 GLN 24 -7.231 1.124 1.242 206 2HE2 GLN 24 2HE2 GLN 24 -8.645 0.136 1.081 207 H ARG 25 H ARG 25 -4.485 0.753 7.529 208 HA ARG 25 HA ARG 25 -6.013 2.301 9.449 209 1HB ARG 25 1HB ARG 25 -5.163 -0.477 9.309 210 2HB ARG 25 2HB ARG 25 -4.474 0.247 10.750 211 1HG ARG 25 1HG ARG 25 -6.558 -0.435 11.562 212 2HG ARG 25 2HG ARG 25 -6.912 1.221 11.112 213 1HD ARG 25 1HD ARG 25 -7.265 -0.479 8.781 214 2HD ARG 25 2HD ARG 25 -8.154 -1.167 10.125 215 HE ARG 25 HE ARG 25 -8.533 1.726 9.855 216 1HH1 ARG 25 2HH2 ARG 25 -9.694 -1.452 8.802 217 2HH1 ARG 25 1HH2 ARG 25 -11.265 -0.871 8.364 218 1HH2 ARG 25 1HH ARG 25 -11.779 1.453 8.650 219 H GLU 26 H GLU 26 -2.712 0.761 9.220 220 HA GLU 26 HA GLU 26 -1.572 2.473 11.066 221 1HB GLU 26 1HB GLU 26 0.146 1.031 10.804 222 2HB GLU 26 2HB GLU 26 -0.781 0.234 9.550 223 1HG GLU 26 1HG GLU 26 1.236 0.779 8.443 224 2HG GLU 26 2HG GLU 26 0.158 2.067 7.944 225 HE2 GLU 26 HE GLU 26 3.266 2.427 8.480 226 H ILE 27 H ILE 27 -2.541 2.996 7.782 227 HA ILE 27 HA ILE 27 -0.598 5.057 7.270 228 HB ILE 27 HB ILE 27 -2.195 3.392 5.732 229 1HG1 ILE 27 1HG1 ILE 27 -0.398 5.735 5.125 230 2HG1 ILE 27 2HG1 ILE 27 -0.052 4.022 4.993 231 1HG2 ILE 27 1HG2 ILE 27 -3.057 6.201 5.076 232 2HG2 ILE 27 2HG2 ILE 27 -3.720 4.652 4.501 233 3HG2 ILE 27 3HG2 ILE 27 -4.003 5.174 6.179 234 1HD1 ILE 27 1HD1 ILE 27 -1.390 5.825 3.067 235 2HD1 ILE 27 2HD1 ILE 27 -0.545 4.283 2.782 236 3HD1 ILE 27 3HD1 ILE 27 -2.245 4.282 3.309 237 H LYS 28 H LYS 28 -1.860 7.185 6.239 238 HA LYS 28 HA LYS 28 -3.465 8.127 8.508 239 1HB LYS 28 1HB LYS 28 -2.652 10.366 7.941 240 2HB LYS 28 2HB LYS 28 -1.332 9.271 8.296 241 1HG LYS 28 1HG LYS 28 -2.102 9.303 5.428 242 2HG LYS 28 2HG LYS 28 -1.536 10.855 6.017 243 1HD LYS 28 1HD LYS 28 0.608 10.044 6.531 244 2HD LYS 28 2HD LYS 28 0.051 8.399 6.764 245 1HE LYS 28 1HE LYS 28 1.401 9.090 4.562 246 2HE LYS 28 2HE LYS 28 0.118 7.896 4.491 247 1HZ LYS 28 1HZ LYS 28 -1.210 9.320 3.341 248 2HZ LYS 28 2HZ LYS 28 -0.770 10.642 4.184 249 H ASP 29 H ASP 29 -5.277 6.920 7.365 250 HA ASP 29 HA ASP 29 -6.118 8.076 4.901 251 1HB ASP 29 1HB ASP 29 -7.039 5.999 4.833 252 2HB ASP 29 2HB ASP 29 -6.765 5.758 6.547 253 HD2 ASP 29 HD ASP 29 -9.077 7.419 4.461 254 HA PRO 30 HA PRO 30 -9.369 9.743 7.988 255 1HB PRO 30 1HB PRO 30 -8.959 9.445 10.673 256 2HB PRO 30 2HB PRO 30 -9.950 8.351 9.728 257 1HG PRO 30 1HG PRO 30 -7.226 7.929 10.799 258 2HG PRO 30 2HG PRO 30 -8.382 6.737 10.235 259 1HD PRO 30 1HD PRO 30 -6.070 7.687 8.827 260 2HD PRO 30 2HD PRO 30 -7.287 6.583 8.219 261 H ARG 31 H ARG 31 -6.180 10.246 7.843 262 HA ARG 31 HA ARG 31 -6.280 12.633 9.448 263 1HB ARG 31 1HB ARG 31 -4.259 10.797 8.896 264 2HB ARG 31 2HB ARG 31 -3.842 12.116 7.821 265 1HG ARG 31 1HG ARG 31 -3.493 13.635 9.583 266 2HG ARG 31 2HG ARG 31 -4.575 12.788 10.672 267 1HD ARG 31 1HD ARG 31 -2.892 10.874 10.751 268 2HD ARG 31 2HD ARG 31 -1.795 11.860 9.804 269 HE ARG 31 HE ARG 31 -2.838 13.139 12.255 270 1HH1 ARG 31 2HH2 ARG 31 -0.193 11.303 10.774 271 2HH1 ARG 31 1HH2 ARG 31 0.961 11.750 11.986 272 1HH2 ARG 31 1HH ARG 31 0.281 13.178 13.786 273 H LEU 32 H LEU 32 -5.527 11.606 6.041 274 HA LEU 32 HA LEU 32 -5.342 14.243 5.064 275 1HB LEU 32 1HB LEU 32 -5.799 11.598 3.680 276 2HB LEU 32 2HB LEU 32 -5.509 13.112 2.846 277 HG LEU 32 HG LEU 32 -3.523 12.178 4.892 278 1HD1 LEU 32 1HD1 LEU 32 -2.878 11.294 2.185 279 2HD1 LEU 32 2HD1 LEU 32 -2.752 10.434 3.738 280 3HD1 LEU 32 3HD1 LEU 32 -4.303 10.470 2.864 281 1HD2 LEU 32 1HD2 LEU 32 -2.311 13.861 4.104 282 2HD2 LEU 32 2HD2 LEU 32 -2.461 13.260 2.436 283 3HD2 LEU 32 3HD2 LEU 32 -3.705 14.340 3.108 284 H GLY 33 H GLY 33 -8.012 12.150 5.911 285 1HA GLY 33 1HA GLY 33 -10.200 12.802 6.108 286 2HA GLY 33 2HA GLY 33 -9.878 14.244 5.166 287 H MET 34 H MET 34 -8.882 10.964 4.126 288 HA MET 34 HA MET 34 -11.144 10.853 2.335 289 1HB MET 34 1HB MET 34 -8.201 10.996 1.509 290 2HB MET 34 2HB MET 34 -9.402 10.281 0.452 291 1HG MET 34 1HG MET 34 -9.484 12.478 -0.316 292 2HG MET 34 2HG MET 34 -10.722 12.563 0.921 293 1HE MET 34 1HE MET 34 -6.410 13.434 1.047 294 2HE MET 34 2HE MET 34 -7.471 13.159 -0.355 295 3HE MET 34 3HE MET 34 -7.175 14.815 0.227 296 H MET 35 H MET 35 -10.732 8.677 0.856 297 HA MET 35 HA MET 35 -9.842 6.671 2.782 298 1HB MET 35 1HB MET 35 -12.420 7.056 1.828 299 2HB MET 35 2HB MET 35 -11.816 5.903 0.656 300 1HG MET 35 1HG MET 35 -12.216 4.247 2.158 301 2HG MET 35 2HG MET 35 -10.938 4.902 3.162 302 1HE MET 35 1HE MET 35 -12.728 3.538 4.973 303 2HE MET 35 2HE MET 35 -14.383 4.141 5.230 304 3HE MET 35 3HE MET 35 -13.932 3.416 3.668 305 H THR 36 H THR 36 -7.875 5.931 2.073 306 HA THR 36 HA THR 36 -7.149 5.990 -0.675 307 HB THR 36 HB THR 36 -5.074 4.979 0.197 308 HG1 THR 36 HG1 THR 36 -6.369 3.461 1.589 309 1HG2 THR 36 1HG2 THR 36 -5.644 7.412 0.916 310 2HG2 THR 36 2HG2 THR 36 -6.158 6.707 2.468 311 3HG2 THR 36 3HG2 THR 36 -4.469 6.542 1.933 312 H THR 37 H THR 37 -6.585 4.169 -2.040 313 HA THR 37 HA THR 37 -8.086 1.736 -1.355 314 HB THR 37 HB THR 37 -8.266 3.531 -3.799 315 HG1 THR 37 HG1 THR 37 -9.812 3.507 -1.946 316 1HG2 THR 37 1HG2 THR 37 -9.514 1.671 -4.926 317 2HG2 THR 37 2HG2 THR 37 -7.797 1.255 -4.711 318 3HG2 THR 37 3HG2 THR 37 -9.023 0.567 -3.621 319 H VAL 38 H VAL 38 -7.385 -0.193 -2.579 320 HA VAL 38 HA VAL 38 -4.538 0.061 -3.269 321 HB VAL 38 HB VAL 38 -4.833 -1.074 -1.160 322 1HG1 VAL 38 1HG1 VAL 38 -7.144 -2.207 -2.454 323 2HG1 VAL 38 2HG1 VAL 38 -6.096 -3.512 -1.849 324 3HG1 VAL 38 3HG1 VAL 38 -6.680 -2.250 -0.737 325 1HG2 VAL 38 1HG2 VAL 38 -3.805 -2.459 -3.555 326 2HG2 VAL 38 2HG2 VAL 38 -3.021 -2.128 -1.991 327 3HG2 VAL 38 3HG2 VAL 38 -4.120 -3.519 -2.160 328 H SER 39 H SER 39 -5.246 0.531 -5.489 329 HA SER 39 HA SER 39 -6.630 -1.641 -6.782 330 1HB SER 39 1HB SER 39 -6.408 1.186 -7.195 331 2HB SER 39 2HB SER 39 -5.730 0.414 -8.616 332 HG SER 39 HG SER 39 -7.677 -0.703 -8.973 333 H GLY 40 H GLY 40 -3.964 -2.163 -5.687 334 1HA GLY 40 1HA GLY 40 -2.771 -3.456 -7.872 335 2HA GLY 40 2HA GLY 40 -1.924 -1.947 -7.601 336 H VAL 41 H VAL 41 -1.438 -5.037 -7.049 337 HA VAL 41 HA VAL 41 -0.049 -4.538 -4.563 338 HB VAL 41 HB VAL 41 -2.096 -5.282 -3.660 339 1HG1 VAL 41 1HG1 VAL 41 -2.756 -7.776 -4.581 340 2HG1 VAL 41 2HG1 VAL 41 -3.508 -6.256 -5.120 341 3HG1 VAL 41 3HG1 VAL 41 -2.188 -6.981 -6.070 342 1HG2 VAL 41 1HG2 VAL 41 0.206 -7.117 -3.661 343 2HG2 VAL 41 2HG2 VAL 41 -0.731 -6.449 -2.304 344 3HG2 VAL 41 3HG2 VAL 41 -1.328 -7.878 -3.180 345 H GLU 42 H GLU 42 1.980 -5.325 -4.789 346 HA GLU 42 HA GLU 42 2.277 -7.665 -6.490 347 1HB GLU 42 1HB GLU 42 4.116 -5.234 -6.600 348 2HB GLU 42 2HB GLU 42 4.264 -6.689 -7.566 349 1HG GLU 42 1HG GLU 42 1.566 -5.637 -7.840 350 2HG GLU 42 2HG GLU 42 2.717 -4.352 -8.148 351 HE2 GLU 42 HE GLU 42 2.112 -6.914 -10.978 352 H MET 43 H MET 43 3.517 -9.248 -5.545 353 HA MET 43 HA MET 43 5.305 -8.380 -3.417 354 1HB MET 43 1HB MET 43 3.989 -11.046 -3.073 355 2HB MET 43 2HB MET 43 4.317 -9.815 -1.869 356 1HG MET 43 1HG MET 43 2.414 -8.452 -3.118 357 2HG MET 43 2HG MET 43 1.959 -10.014 -3.768 358 1HE MET 43 1HE MET 43 1.029 -8.032 -0.089 359 2HE MET 43 2HE MET 43 1.127 -7.634 -1.821 360 3HE MET 43 3HE MET 43 -0.279 -8.525 -1.190 361 H SER 44 H SER 44 7.319 -8.827 -4.230 362 HA SER 44 HA SER 44 7.597 -11.409 -5.561 363 1HB SER 44 1HB SER 44 8.696 -8.698 -6.143 364 2HB SER 44 2HB SER 44 9.842 -10.013 -6.315 365 HG SER 44 HG SER 44 8.195 -9.286 -8.163 366 H ARG 45 H ARG 45 8.494 -12.866 -4.144 367 HA ARG 45 HA ARG 45 10.366 -11.801 -2.206 368 1HB ARG 45 1HB ARG 45 8.699 -14.345 -2.347 369 2HB ARG 45 2HB ARG 45 10.049 -14.234 -1.236 370 1HG ARG 45 1HG ARG 45 8.578 -13.275 0.214 371 2HG ARG 45 2HG ARG 45 8.742 -11.829 -0.763 372 1HD ARG 45 1HD ARG 45 6.347 -12.446 -0.444 373 2HD ARG 45 2HD ARG 45 6.792 -12.482 -2.137 374 HE ARG 45 HE ARG 45 7.173 -15.081 -0.897 375 1HH1 ARG 45 2HH2 ARG 45 4.700 -12.944 -2.265 376 2HH1 ARG 45 1HH2 ARG 45 3.628 -14.242 -2.673 377 1HH2 ARG 45 1HH ARG 45 4.270 -16.497 -2.175 378 H ASP 46 H ASP 46 10.514 -12.897 -5.277 379 HA ASP 46 HA ASP 46 12.058 -15.086 -5.401 380 1HB ASP 46 1HB ASP 46 11.864 -12.556 -7.009 381 2HB ASP 46 2HB ASP 46 13.237 -13.592 -7.349 382 HD2 ASP 46 HD ASP 46 12.305 -13.877 -9.379 383 H LEU 47 H LEU 47 12.904 -11.766 -4.387 384 HA LEU 47 HA LEU 47 15.497 -12.750 -3.506 385 1HB LEU 47 1HB LEU 47 15.040 -10.695 -5.595 386 2HB LEU 47 2HB LEU 47 16.253 -10.325 -4.386 387 HG LEU 47 HG LEU 47 16.916 -12.907 -5.101 388 1HD1 LEU 47 1HD1 LEU 47 17.029 -12.753 -7.641 389 2HD1 LEU 47 2HD1 LEU 47 15.443 -13.125 -6.923 390 3HD1 LEU 47 3HD1 LEU 47 15.791 -11.482 -7.513 391 1HD2 LEU 47 1HD2 LEU 47 17.928 -10.201 -5.945 392 2HD2 LEU 47 2HD2 LEU 47 18.625 -11.361 -4.790 393 3HD2 LEU 47 3HD2 LEU 47 18.692 -11.695 -6.536 394 H ALA 48 H ALA 48 13.472 -9.734 -3.736 395 HA ALA 48 HA ALA 48 12.578 -9.556 -1.233 396 1HB ALA 48 1HB ALA 48 15.509 -9.228 -1.255 397 2HB ALA 48 2HB ALA 48 14.645 -7.894 -0.456 398 3HB ALA 48 3HB ALA 48 14.407 -9.568 0.101 399 H TYR 49 H TYR 49 11.202 -8.594 -3.000 400 HA TYR 49 HA TYR 49 11.381 -5.753 -2.851 401 1HB TYR 49 1HB TYR 49 11.270 -5.906 -5.576 402 2HB TYR 49 2HB TYR 49 12.806 -5.775 -4.742 403 HD1 TYR 49 HD1 TYR 49 14.169 -6.887 -6.358 404 HD2 TYR 49 HD2 TYR 49 10.700 -8.834 -4.784 405 HE1 TYR 49 HE1 TYR 49 14.919 -9.081 -7.401 406 HE2 TYR 49 HE2 TYR 49 11.462 -11.022 -5.832 407 HH TYR 49 HH TYR 49 13.887 -11.949 -6.498 408 H ALA 50 H ALA 50 9.339 -4.898 -2.958 409 HA ALA 50 HA ALA 50 7.296 -6.502 -4.305 410 1HB ALA 50 1HB ALA 50 6.178 -5.304 -1.949 411 2HB ALA 50 2HB ALA 50 6.303 -7.031 -2.362 412 3HB ALA 50 3HB ALA 50 7.622 -6.230 -1.473 413 H LYS 51 H LYS 51 5.238 -5.146 -4.619 414 HA LYS 51 HA LYS 51 5.805 -2.291 -4.665 415 1HB LYS 51 1HB LYS 51 4.605 -3.299 -7.168 416 2HB LYS 51 2HB LYS 51 5.768 -2.016 -6.908 417 1HG LYS 51 1HG LYS 51 7.543 -3.769 -6.473 418 2HG LYS 51 2HG LYS 51 6.367 -5.012 -6.855 419 1HD LYS 51 1HD LYS 51 6.852 -4.777 -9.054 420 2HD LYS 51 2HD LYS 51 6.245 -3.135 -9.004 421 1HE LYS 51 1HE LYS 51 8.347 -2.340 -9.297 422 2HE LYS 51 2HE LYS 51 8.845 -3.085 -7.791 423 1HZ LYS 51 1HZ LYS 51 8.741 -4.560 -10.366 424 2HZ LYS 51 2HZ LYS 51 10.100 -3.886 -9.773 425 H VAL 52 H VAL 52 4.206 -1.564 -3.355 426 HA VAL 52 HA VAL 52 1.566 -2.795 -3.683 427 HB VAL 52 HB VAL 52 3.048 -1.514 -1.433 428 1HG1 VAL 52 1HG1 VAL 52 1.274 -0.127 -1.084 429 2HG1 VAL 52 2HG1 VAL 52 0.144 -1.160 -1.991 430 3HG1 VAL 52 3HG1 VAL 52 0.600 -1.588 -0.325 431 1HG2 VAL 52 1HG2 VAL 52 1.991 -4.102 -2.100 432 2HG2 VAL 52 2HG2 VAL 52 2.997 -3.622 -0.711 433 3HG2 VAL 52 3HG2 VAL 52 1.222 -3.523 -0.601 434 H TYR 53 H TYR 53 -0.142 -1.619 -4.466 435 HA TYR 53 HA TYR 53 0.498 1.084 -5.355 436 1HB TYR 53 1HB TYR 53 -0.491 -0.854 -6.790 437 2HB TYR 53 2HB TYR 53 -1.930 -0.760 -5.795 438 HD1 TYR 53 HD1 TYR 53 -3.462 1.163 -5.967 439 HD2 TYR 53 HD2 TYR 53 -0.001 0.851 -8.462 440 HE1 TYR 53 HE1 TYR 53 -4.403 2.953 -7.507 441 HE2 TYR 53 HE2 TYR 53 -0.953 2.642 -9.994 442 HH TYR 53 HH TYR 53 -3.603 3.398 -10.449 443 H VAL 54 H VAL 54 -0.934 2.882 -4.967 444 HA VAL 54 HA VAL 54 -3.072 2.514 -3.076 445 HB VAL 54 HB VAL 54 -1.897 4.439 -1.693 446 1HG1 VAL 54 1HG1 VAL 54 -2.698 2.173 -0.922 447 2HG1 VAL 54 2HG1 VAL 54 -1.070 1.551 -1.284 448 3HG1 VAL 54 3HG1 VAL 54 -1.286 2.814 -0.048 449 1HG2 VAL 54 1HG2 VAL 54 0.556 3.853 -1.430 450 2HG2 VAL 54 2HG2 VAL 54 0.413 2.929 -2.945 451 3HG2 VAL 54 3HG2 VAL 54 0.118 4.683 -2.943 452 H THR 55 H THR 55 -4.700 3.827 -3.723 453 HA THR 55 HA THR 55 -3.931 6.204 -5.289 454 HB THR 55 HB THR 55 -5.077 4.970 -6.888 455 HG1 THR 55 HG1 THR 55 -6.448 6.824 -6.055 456 1HG2 THR 55 1HG2 THR 55 -6.446 3.635 -4.509 457 2HG2 THR 55 2HG2 THR 55 -7.066 3.446 -6.167 458 3HG2 THR 55 3HG2 THR 55 -5.431 2.873 -5.757 459 H PHE 56 H PHE 56 -4.630 8.171 -4.653 460 HA PHE 56 HA PHE 56 -6.606 8.180 -2.484 461 1HB PHE 56 1HB PHE 56 -4.242 10.099 -2.878 462 2HB PHE 56 2HB PHE 56 -5.240 9.955 -1.444 463 HD1 PHE 56 HD1 PHE 56 -3.029 7.801 -3.554 464 HD2 PHE 56 HD2 PHE 56 -4.353 8.815 0.348 465 HE1 PHE 56 HE1 PHE 56 -1.386 6.175 -2.573 466 HE2 PHE 56 HE2 PHE 56 -2.709 7.191 1.328 467 HZ PHE 56 HZ PHE 56 -1.246 5.890 -0.144 468 H LEU 57 H LEU 57 -7.510 10.536 -2.188 469 HA LEU 57 HA LEU 57 -8.040 11.558 -4.887 470 1HB LEU 57 1HB LEU 57 -9.881 10.506 -3.410 471 2HB LEU 57 2HB LEU 57 -9.791 11.991 -2.486 472 HG LEU 57 HG LEU 57 -10.296 13.277 -4.566 473 1HD1 LEU 57 1HD1 LEU 57 -10.309 10.522 -5.732 474 2HD1 LEU 57 2HD1 LEU 57 -11.436 11.739 -6.375 475 3HD1 LEU 57 3HD1 LEU 57 -9.684 12.047 -6.401 476 1HD2 LEU 57 1HD2 LEU 57 -12.339 13.244 -3.706 477 2HD2 LEU 57 2HD2 LEU 57 -12.687 11.780 -4.653 478 3HD2 LEU 57 3HD2 LEU 57 -12.057 11.636 -2.995 479 H ASN 58 H ASN 58 -5.881 12.094 -2.606 480 HA ASN 58 HA ASN 58 -6.226 14.531 -1.534 481 1HB ASN 58 1HB ASN 58 -3.920 12.866 -2.368 482 2HB ASN 58 2HB ASN 58 -3.538 14.576 -2.376 483 1HD2 ASN 58 1HD2 ASN 58 -5.071 15.575 -0.369 484 2HD2 ASN 58 2HD2 ASN 58 -4.591 14.937 1.168 485 H ASP 59 H ASP 59 -5.716 13.618 -4.915 486 HA ASP 59 HA ASP 59 -4.545 15.648 -6.098 487 1HB ASP 59 1HB ASP 59 -5.506 13.859 -7.406 488 2HB ASP 59 2HB ASP 59 -7.128 14.233 -6.859 489 HD2 ASP 59 HD ASP 59 -5.453 16.227 -9.869 490 H LYS 60 H LYS 60 -7.916 15.594 -4.794 491 HA LYS 60 HA LYS 60 -9.010 17.836 -5.753 492 1HB LYS 60 1HB LYS 60 -9.202 16.320 -3.236 493 2HB LYS 60 2HB LYS 60 -9.720 17.989 -3.097 494 1HG LYS 60 1HG LYS 60 -11.458 17.735 -4.659 495 2HG LYS 60 2HG LYS 60 -10.668 16.409 -5.487 496 1HD LYS 60 1HD LYS 60 -12.396 15.312 -4.315 497 2HD LYS 60 2HD LYS 60 -11.017 15.072 -3.261 498 1HE LYS 60 1HE LYS 60 -11.735 16.759 -1.726 499 2HE LYS 60 2HE LYS 60 -12.823 17.488 -2.892 500 1HZ LYS 60 1HZ LYS 60 -13.214 15.015 -1.349 501 2HZ LYS 60 2HZ LYS 60 -14.262 16.236 -1.598 502 H ASP 61 H ASP 61 -6.453 17.642 -3.227 503 HA ASP 61 HA ASP 61 -6.111 20.507 -3.634 504 1HB ASP 61 1HB ASP 61 -5.212 19.321 -1.039 505 2HB ASP 61 2HB ASP 61 -5.901 20.900 -1.358 506 HD2 ASP 61 HD ASP 61 -8.285 20.985 -0.807 507 H GLU 62 H GLU 62 -4.098 20.825 -4.594 508 HA GLU 62 HA GLU 62 -2.249 18.740 -4.767 509 1HB GLU 62 1HB GLU 62 -2.670 20.845 -6.302 510 2HB GLU 62 2HB GLU 62 -1.526 21.644 -5.241 511 1HG GLU 62 1HG GLU 62 -0.207 19.265 -5.751 512 2HG GLU 62 2HG GLU 62 -1.060 19.507 -7.263 513 HE2 GLU 62 HE GLU 62 1.738 22.105 -6.053 514 H ASP 63 H ASP 63 -2.906 21.116 -2.321 515 HA ASP 63 HA ASP 63 -0.285 21.358 -1.345 516 1HB ASP 63 1HB ASP 63 -2.772 22.542 -0.845 517 2HB ASP 63 2HB ASP 63 -2.475 21.642 0.629 518 HD2 ASP 63 HD ASP 63 -0.950 23.997 1.996 519 H ALA 64 H ALA 64 -3.189 19.337 -0.575 520 HA ALA 64 HA ALA 64 -1.842 17.986 1.576 521 1HB ALA 64 1HB ALA 64 -3.945 16.752 1.750 522 2HB ALA 64 2HB ALA 64 -4.285 18.490 1.571 523 3HB ALA 64 3HB ALA 64 -4.483 17.397 0.181 524 H VAL 65 H VAL 65 -2.063 17.744 -1.891 525 HA VAL 65 HA VAL 65 -1.645 14.924 -2.020 526 HB VAL 65 HB VAL 65 -2.480 16.907 -3.732 527 1HG1 VAL 65 1HG1 VAL 65 -0.124 17.580 -4.128 528 2HG1 VAL 65 2HG1 VAL 65 0.222 15.939 -4.726 529 3HG1 VAL 65 3HG1 VAL 65 -0.926 16.981 -5.600 530 1HG2 VAL 65 1HG2 VAL 65 -3.374 14.967 -4.414 531 2HG2 VAL 65 2HG2 VAL 65 -1.912 14.782 -5.414 532 3HG2 VAL 65 3HG2 VAL 65 -1.995 14.018 -3.808 533 H LYS 66 H LYS 66 0.394 17.896 -2.201 534 HA LYS 66 HA LYS 66 2.770 16.389 -2.674 535 1HB LYS 66 1HB LYS 66 2.282 18.776 -3.415 536 2HB LYS 66 2HB LYS 66 2.551 19.263 -1.753 537 1HG LYS 66 1HG LYS 66 4.810 17.925 -1.962 538 2HG LYS 66 2HG LYS 66 4.531 18.015 -3.690 539 1HD LYS 66 1HD LYS 66 4.326 20.542 -2.033 540 2HD LYS 66 2HD LYS 66 5.912 19.922 -2.444 541 1HE LYS 66 1HE LYS 66 4.951 19.795 -4.908 542 2HE LYS 66 2HE LYS 66 3.730 20.902 -4.311 543 1HZ LYS 66 1HZ LYS 66 5.343 22.531 -3.878 544 2HZ LYS 66 2HZ LYS 66 6.589 21.483 -3.855 545 H ALA 67 H ALA 67 1.327 18.133 0.158 546 HA ALA 67 HA ALA 67 3.397 17.403 1.920 547 1HB ALA 67 1HB ALA 67 0.620 17.893 2.923 548 2HB ALA 67 2HB ALA 67 2.168 18.586 3.460 549 3HB ALA 67 3HB ALA 67 1.388 19.192 1.981 550 H GLY 68 H GLY 68 0.101 16.034 1.267 551 1HA GLY 68 1HA GLY 68 0.148 13.993 3.146 552 2HA GLY 68 2HA GLY 68 -0.749 13.989 1.641 553 H ILE 69 H ILE 69 0.891 13.724 -0.411 554 HA ILE 69 HA ILE 69 1.790 11.120 -0.304 555 HB ILE 69 HB ILE 69 1.202 12.633 -2.285 556 1HG1 ILE 69 1HG1 ILE 69 3.474 10.638 -2.318 557 2HG1 ILE 69 2HG1 ILE 69 1.774 10.338 -2.620 558 1HG2 ILE 69 1HG2 ILE 69 2.863 13.895 -3.339 559 2HG2 ILE 69 2HG2 ILE 69 3.024 14.313 -1.618 560 3HG2 ILE 69 3HG2 ILE 69 4.166 13.171 -2.366 561 1HD1 ILE 69 1HD1 ILE 69 3.852 11.394 -4.443 562 2HD1 ILE 69 2HD1 ILE 69 2.320 10.571 -4.822 563 3HD1 ILE 69 3HD1 ILE 69 2.331 12.318 -4.483 564 H LYS 70 H LYS 70 3.412 14.181 0.522 565 HA LYS 70 HA LYS 70 6.023 13.115 0.556 566 1HB LYS 70 1HB LYS 70 5.644 15.489 0.331 567 2HB LYS 70 2HB LYS 70 4.790 15.557 1.859 568 1HG LYS 70 1HG LYS 70 7.128 14.422 2.707 569 2HG LYS 70 2HG LYS 70 7.732 15.328 1.334 570 1HD LYS 70 1HD LYS 70 7.822 17.090 2.787 571 2HD LYS 70 2HD LYS 70 6.096 17.215 2.508 572 1HE LYS 70 1HE LYS 70 5.711 15.646 4.460 573 2HE LYS 70 2HE LYS 70 7.435 15.654 4.768 574 1HZ LYS 70 1HZ LYS 70 6.524 17.337 6.137 575 2HZ LYS 70 2HZ LYS 70 7.193 18.173 4.910 576 H ALA 71 H ALA 71 3.315 13.201 2.872 577 HA ALA 71 HA ALA 71 4.935 12.359 5.072 578 1HB ALA 71 1HB ALA 71 3.075 12.842 6.271 579 2HB ALA 71 2HB ALA 71 2.468 13.557 4.758 580 3HB ALA 71 3HB ALA 71 2.023 11.890 5.196 581 H LEU 72 H LEU 72 2.949 10.845 2.516 582 HA LEU 72 HA LEU 72 3.011 8.272 3.755 583 1HB LEU 72 1HB LEU 72 1.153 8.902 2.377 584 2HB LEU 72 2HB LEU 72 2.202 9.243 1.015 585 HG LEU 72 HG LEU 72 2.804 6.833 0.901 586 1HD1 LEU 72 1HD1 LEU 72 2.215 5.309 2.423 587 2HD1 LEU 72 2HD1 LEU 72 1.828 6.694 3.474 588 3HD1 LEU 72 3HD1 LEU 72 0.543 5.913 2.519 589 1HD2 LEU 72 1HD2 LEU 72 0.990 7.839 -0.471 590 2HD2 LEU 72 2HD2 LEU 72 0.766 6.103 -0.146 591 3HD2 LEU 72 3HD2 LEU 72 -0.184 7.308 0.757 592 H GLN 73 H GLN 73 5.115 10.190 1.695 593 HA GLN 73 HA GLN 73 6.506 7.945 0.667 594 1HB GLN 73 1HB GLN 73 6.516 10.841 0.322 595 2HB GLN 73 2HB GLN 73 8.157 10.250 0.481 596 1HG GLN 73 1HG GLN 73 6.464 8.552 -1.266 597 2HG GLN 73 2HG GLN 73 6.639 10.193 -1.856 598 1HE2 GLN 73 1HE2 GLN 73 7.805 7.300 -2.313 599 2HE2 GLN 73 2HE2 GLN 73 9.483 7.589 -2.628 600 H GLU 74 H GLU 74 7.015 10.361 3.303 601 HA GLU 74 HA GLU 74 9.529 9.293 3.997 602 1HB GLU 74 1HB GLU 74 9.412 10.822 5.905 603 2HB GLU 74 2HB GLU 74 8.857 11.646 4.461 604 1HG GLU 74 1HG GLU 74 6.884 12.101 5.476 605 2HG GLU 74 2HG GLU 74 6.554 10.385 5.606 606 HE2 GLU 74 HE GLU 74 8.771 10.197 8.222 607 H ALA 75 H ALA 75 6.155 8.617 4.847 608 HA ALA 75 HA ALA 75 6.907 7.032 7.143 609 1HB ALA 75 1HB ALA 75 4.414 6.595 7.180 610 2HB ALA 75 2HB ALA 75 4.868 8.314 7.285 611 3HB ALA 75 3HB ALA 75 4.275 7.641 5.747 612 H SER 76 H SER 76 7.543 6.569 4.031 613 HA SER 76 HA SER 76 6.261 4.309 3.225 614 1HB SER 76 1HB SER 76 9.079 5.337 2.754 615 2HB SER 76 2HB SER 76 8.530 3.850 2.005 616 HG SER 76 HG SER 76 7.233 4.944 0.658 617 H GLY 77 H GLY 77 9.680 4.254 4.465 618 1HA GLY 77 1HA GLY 77 9.915 1.605 4.997 619 2HA GLY 77 2HA GLY 77 10.707 2.867 5.920 620 H PHE 78 H PHE 78 7.891 3.952 6.691 621 HA PHE 78 HA PHE 78 7.741 2.557 9.139 622 1HB PHE 78 1HB PHE 78 6.841 4.972 7.900 623 2HB PHE 78 2HB PHE 78 5.363 4.113 8.287 624 HD1 PHE 78 HD1 PHE 78 5.497 3.002 10.786 625 HD2 PHE 78 HD2 PHE 78 7.536 6.485 9.478 626 HE1 PHE 78 HE1 PHE 78 5.654 3.802 13.160 627 HE2 PHE 78 HE2 PHE 78 7.692 7.286 11.852 628 HZ PHE 78 HZ PHE 78 6.749 5.934 13.665 629 H ILE 79 H ILE 79 5.653 2.664 6.178 630 HA ILE 79 HA ILE 79 3.742 0.874 7.246 631 HB ILE 79 HB ILE 79 2.770 0.913 5.085 632 1HG1 ILE 79 1HG1 ILE 79 5.520 1.288 4.185 633 2HG1 ILE 79 2HG1 ILE 79 4.136 0.625 3.337 634 1HG2 ILE 79 1HG2 ILE 79 2.600 3.329 4.651 635 2HG2 ILE 79 2HG2 ILE 79 2.499 2.946 6.386 636 3HG2 ILE 79 3HG2 ILE 79 4.005 3.610 5.707 637 1HD1 ILE 79 1HD1 ILE 79 4.559 3.614 3.783 638 2HD1 ILE 79 2HD1 ILE 79 5.056 2.747 2.310 639 3HD1 ILE 79 3HD1 ILE 79 3.333 2.849 2.745 640 H ARG 80 H ARG 80 6.795 0.540 5.432 641 HA ARG 80 HA ARG 80 6.389 -2.101 4.680 642 1HB ARG 80 1HB ARG 80 8.138 -0.944 3.554 643 2HB ARG 80 2HB ARG 80 8.828 -0.331 5.043 644 1HG ARG 80 1HG ARG 80 9.680 -2.533 5.651 645 2HG ARG 80 2HG ARG 80 8.790 -3.301 4.352 646 1HD ARG 80 1HD ARG 80 11.046 -3.106 3.550 647 2HD ARG 80 2HD ARG 80 10.148 -1.857 2.711 648 HE ARG 80 HE ARG 80 11.350 -0.213 3.883 649 1HH1 ARG 80 2HH2 ARG 80 11.860 -3.360 5.432 650 2HH1 ARG 80 1HH2 ARG 80 13.111 -2.780 6.481 651 1HH2 ARG 80 1HH ARG 80 13.764 -0.478 6.369 652 H SER 81 H SER 81 7.874 -0.547 7.580 653 HA SER 81 HA SER 81 8.693 -3.032 8.663 654 1HB SER 81 1HB SER 81 9.663 -0.644 9.081 655 2HB SER 81 2HB SER 81 8.349 -0.449 10.222 656 HG SER 81 HG SER 81 10.666 -2.057 10.391 657 H LEU 82 H LEU 82 5.850 -0.887 8.866 658 HA LEU 82 HA LEU 82 4.736 -1.957 11.199 659 1HB LEU 82 1HB LEU 82 4.176 0.189 9.964 660 2HB LEU 82 2HB LEU 82 3.235 -0.792 8.859 661 HG LEU 82 HG LEU 82 1.546 -0.264 10.250 662 1HD1 LEU 82 1HD1 LEU 82 1.730 -2.663 10.535 663 2HD1 LEU 82 2HD1 LEU 82 2.857 -2.445 11.895 664 3HD1 LEU 82 3HD1 LEU 82 1.166 -1.911 12.047 665 1HD2 LEU 82 1HD2 LEU 82 1.761 0.469 12.561 666 2HD2 LEU 82 2HD2 LEU 82 3.485 0.019 12.563 667 3HD2 LEU 82 3HD2 LEU 82 2.911 1.338 11.516 668 H LEU 83 H LEU 83 4.583 -2.923 7.740 669 HA LEU 83 HA LEU 83 2.623 -4.926 8.196 670 1HB LEU 83 1HB LEU 83 4.568 -4.618 5.905 671 2HB LEU 83 2HB LEU 83 3.117 -5.600 5.921 672 HG LEU 83 HG LEU 83 2.741 -2.711 6.502 673 1HD1 LEU 83 1HD1 LEU 83 4.489 -3.103 4.539 674 2HD1 LEU 83 2HD1 LEU 83 2.999 -3.400 3.612 675 3HD1 LEU 83 3HD1 LEU 83 3.230 -1.848 4.452 676 1HD2 LEU 83 1HD2 LEU 83 1.270 -4.782 4.854 677 2HD2 LEU 83 2HD2 LEU 83 0.808 -4.123 6.442 678 3HD2 LEU 83 3HD2 LEU 83 0.775 -3.078 5.001 679 H GLY 84 H GLY 84 6.205 -5.038 7.581 680 1HA GLY 84 1HA GLY 84 6.633 -7.720 7.836 681 2HA GLY 84 2HA GLY 84 7.762 -6.478 8.339 682 H LYS 85 H LYS 85 6.343 -5.260 10.485 683 HA LYS 85 HA LYS 85 6.799 -7.238 12.499 684 1HB LYS 85 1HB LYS 85 6.297 -4.304 12.388 685 2HB LYS 85 2HB LYS 85 5.844 -5.124 13.867 686 1HG LYS 85 1HG LYS 85 8.039 -5.730 14.383 687 2HG LYS 85 2HG LYS 85 8.533 -5.807 12.704 688 1HD LYS 85 1HD LYS 85 9.243 -3.648 12.718 689 2HD LYS 85 2HD LYS 85 7.726 -3.082 13.391 690 1HE LYS 85 1HE LYS 85 9.123 -2.546 15.164 691 2HE LYS 85 2HE LYS 85 8.699 -4.178 15.643 692 1HZ LYS 85 1HZ LYS 85 10.765 -4.970 15.001 693 2HZ LYS 85 2HZ LYS 85 11.030 -3.808 13.890 694 H ALA 86 H ALA 86 3.980 -5.577 11.011 695 HA ALA 86 HA ALA 86 2.067 -6.526 12.813 696 1HB ALA 86 1HB ALA 86 1.977 -5.639 9.910 697 2HB ALA 86 2HB ALA 86 0.515 -6.072 10.830 698 3HB ALA 86 3HB ALA 86 1.529 -4.708 11.360 699 H MET 87 H MET 87 3.769 -8.013 10.072 700 HA MET 87 HA MET 87 2.168 -10.406 10.558 701 1HB MET 87 1HB MET 87 2.657 -8.926 8.124 702 2HB MET 87 2HB MET 87 3.519 -10.445 7.974 703 1HG MET 87 1HG MET 87 1.295 -11.562 8.803 704 2HG MET 87 2HG MET 87 0.542 -10.021 8.441 705 1HE MET 87 1HE MET 87 0.510 -9.408 4.995 706 2HE MET 87 2HE MET 87 1.165 -8.728 6.505 707 3HE MET 87 3HE MET 87 2.270 -9.299 5.232 708 H ARG 88 H ARG 88 4.781 -9.328 11.760 709 HA ARG 88 HA ARG 88 6.958 -9.889 11.832 710 1HB ARG 88 1HB ARG 88 5.246 -12.209 12.782 711 2HB ARG 88 2HB ARG 88 6.989 -12.330 12.902 712 1HG ARG 88 1HG ARG 88 6.967 -10.078 14.127 713 2HG ARG 88 2HG ARG 88 5.217 -10.187 14.159 714 1HD ARG 88 1HD ARG 88 5.595 -11.243 16.171 715 2HD ARG 88 2HD ARG 88 5.808 -12.655 15.154 716 HE ARG 88 HE ARG 88 8.280 -11.134 15.457 717 1HH1 ARG 88 2HH2 ARG 88 6.228 -13.585 16.988 718 2HH1 ARG 88 1HH2 ARG 88 7.528 -14.280 17.900 719 1HH2 ARG 88 1HH ARG 88 9.731 -13.362 17.692 720 H LEU 89 H LEU 89 7.713 -9.909 9.602 721 HA LEU 89 HA LEU 89 7.948 -12.631 8.516 722 1HB LEU 89 1HB LEU 89 7.227 -11.994 6.519 723 2HB LEU 89 2HB LEU 89 6.493 -10.657 7.381 724 HG LEU 89 HG LEU 89 9.139 -10.616 5.904 725 1HD1 LEU 89 1HD1 LEU 89 6.527 -9.193 5.311 726 2HD1 LEU 89 2HD1 LEU 89 8.036 -9.087 4.371 727 3HD1 LEU 89 3HD1 LEU 89 7.147 -10.628 4.457 728 1HD2 LEU 89 1HD2 LEU 89 8.359 -7.992 6.542 729 2HD2 LEU 89 2HD2 LEU 89 8.188 -8.931 8.045 730 3HD2 LEU 89 3HD2 LEU 89 9.746 -8.907 7.182 731 H ARG 90 H ARG 90 9.859 -12.420 6.669 732 HA ARG 90 HA ARG 90 12.020 -11.014 8.012 733 1HB ARG 90 1HB ARG 90 13.525 -12.940 7.525 734 2HB ARG 90 2HB ARG 90 12.189 -13.430 8.549 735 1HG ARG 90 1HG ARG 90 10.961 -14.195 6.445 736 2HG ARG 90 2HG ARG 90 12.421 -13.860 5.534 737 1HD ARG 90 1HD ARG 90 13.410 -15.402 7.625 738 2HD ARG 90 2HD ARG 90 11.825 -16.112 7.387 739 HE ARG 90 HE ARG 90 14.087 -16.313 5.584 740 1HH1 ARG 90 2HH2 ARG 90 10.546 -16.184 5.634 741 2HH1 ARG 90 1HH2 ARG 90 10.370 -17.035 4.135 742 1HH2 ARG 90 1HH ARG 90 12.329 -17.761 2.961 743 H ILE 91 H ILE 91 10.683 -12.513 5.024 744 HA ILE 91 HA ILE 91 12.545 -12.001 3.171 745 HB ILE 91 HB ILE 91 10.568 -11.469 1.643 746 1HG1 ILE 91 1HG1 ILE 91 8.723 -12.472 3.725 747 2HG1 ILE 91 2HG1 ILE 91 9.269 -10.824 3.957 748 1HG2 ILE 91 1HG2 ILE 91 10.095 -13.723 1.415 749 2HG2 ILE 91 2HG2 ILE 91 11.672 -13.743 2.241 750 3HG2 ILE 91 3HG2 ILE 91 10.178 -14.029 3.167 751 1HD1 ILE 91 1HD1 ILE 91 8.572 -11.376 1.145 752 2HD1 ILE 91 2HD1 ILE 91 7.208 -11.631 2.259 753 3HD1 ILE 91 3HD1 ILE 91 8.032 -10.056 2.209 754 H VAL 92 H VAL 92 10.628 -9.613 4.973 755 HA VAL 92 HA VAL 92 10.404 -7.368 4.528 756 HB VAL 92 HB VAL 92 13.331 -7.777 5.171 757 1HG1 VAL 92 1HG1 VAL 92 12.912 -5.576 6.452 758 2HG1 VAL 92 2HG1 VAL 92 13.095 -5.493 4.684 759 3HG1 VAL 92 3HG1 VAL 92 11.475 -5.407 5.417 760 1HG2 VAL 92 1HG2 VAL 92 12.743 -7.895 7.468 761 2HG2 VAL 92 2HG2 VAL 92 11.061 -7.414 7.143 762 3HG2 VAL 92 3HG2 VAL 92 11.645 -9.014 6.626 763 HA PRO 93 HA PRO 93 12.203 -7.350 0.326 764 1HB PRO 93 1HB PRO 93 9.894 -7.436 -1.132 765 2HB PRO 93 2HB PRO 93 10.853 -8.856 -0.774 766 1HG PRO 93 1HG PRO 93 8.287 -8.004 0.419 767 2HG PRO 93 2HG PRO 93 9.035 -9.588 0.443 768 1HD PRO 93 1HD PRO 93 8.956 -7.694 2.596 769 2HD PRO 93 2HD PRO 93 9.803 -9.228 2.580 770 H GLU 94 H GLU 94 12.318 -5.646 -1.244 771 HA GLU 94 HA GLU 94 11.770 -3.210 0.015 772 1HB GLU 94 1HB GLU 94 13.426 -4.061 -2.028 773 2HB GLU 94 2HB GLU 94 12.221 -3.154 -2.922 774 1HG GLU 94 1HG GLU 94 12.581 -1.180 -1.458 775 2HG GLU 94 2HG GLU 94 13.733 -2.082 -0.493 776 HE2 GLU 94 HE GLU 94 13.859 0.215 -2.465 777 H LEU 95 H LEU 95 9.356 -3.927 0.346 778 HA LEU 95 HA LEU 95 7.645 -3.789 -1.900 779 1HB LEU 95 1HB LEU 95 5.865 -3.681 -0.188 780 2HB LEU 95 2HB LEU 95 6.960 -5.037 -0.017 781 HG LEU 95 HG LEU 95 8.105 -3.125 1.626 782 1HD1 LEU 95 1HD1 LEU 95 5.314 -2.437 1.264 783 2HD1 LEU 95 2HD1 LEU 95 5.663 -2.860 2.958 784 3HD1 LEU 95 3HD1 LEU 95 6.599 -1.579 2.149 785 1HD2 LEU 95 1HD2 LEU 95 7.425 -5.691 1.846 786 2HD2 LEU 95 2HD2 LEU 95 7.814 -4.679 3.259 787 3HD2 LEU 95 3HD2 LEU 95 6.115 -4.990 2.826 788 H THR 96 H THR 96 8.069 -1.914 -3.105 789 HA THR 96 HA THR 96 8.262 0.640 -1.900 790 HB THR 96 HB THR 96 9.193 -0.132 -4.157 791 HG1 THR 96 HG1 THR 96 8.925 2.137 -3.592 792 1HG2 THR 96 1HG2 THR 96 7.353 0.472 -6.001 793 2HG2 THR 96 2HG2 THR 96 7.470 -1.191 -5.375 794 3HG2 THR 96 3HG2 THR 96 6.221 -0.090 -4.748 795 H PHE 97 H PHE 97 6.720 2.482 -2.685 796 HA PHE 97 HA PHE 97 3.971 1.519 -2.338 797 1HB PHE 97 1HB PHE 97 5.601 3.015 -0.553 798 2HB PHE 97 2HB PHE 97 4.643 4.248 -1.352 799 HD1 PHE 97 HD1 PHE 97 4.087 0.872 0.162 800 HD2 PHE 97 HD2 PHE 97 2.696 4.854 -0.296 801 HE1 PHE 97 HE1 PHE 97 2.167 0.378 1.700 802 HE2 PHE 97 HE2 PHE 97 0.776 4.361 1.242 803 HZ PHE 97 HZ PHE 97 0.534 2.128 2.223 804 H PHE 98 H PHE 98 2.938 1.895 -4.247 805 HA PHE 98 HA PHE 98 3.777 4.176 -5.832 806 1HB PHE 98 1HB PHE 98 2.648 1.511 -6.188 807 2HB PHE 98 2HB PHE 98 1.511 2.658 -6.865 808 HD1 PHE 98 HD1 PHE 98 2.151 4.064 -8.773 809 HD2 PHE 98 HD2 PHE 98 4.803 1.145 -7.210 810 HE1 PHE 98 HE1 PHE 98 3.533 4.201 -10.864 811 HE2 PHE 98 HE2 PHE 98 6.186 1.281 -9.299 812 HZ PHE 98 HZ PHE 98 5.535 2.808 -11.102 813 H TYR 99 H TYR 99 2.834 6.120 -5.434 814 HA TYR 99 HA TYR 99 0.105 6.113 -4.378 815 1HB TYR 99 1HB TYR 99 1.654 8.645 -4.788 816 2HB TYR 99 2HB TYR 99 0.855 8.084 -3.333 817 HD1 TYR 99 HD1 TYR 99 3.993 8.085 -5.241 818 HD2 TYR 99 HD2 TYR 99 2.041 6.691 -1.698 819 HE1 TYR 99 HE1 TYR 99 6.245 7.485 -4.228 820 HE2 TYR 99 HE2 TYR 99 4.301 6.096 -0.696 821 HH TYR 99 HH TYR 99 6.434 6.003 -1.001 822 H ASP 100 H ASP 100 -1.216 5.806 -6.195 823 HA ASP 100 HA ASP 100 -0.753 7.652 -8.386 824 1HB ASP 100 1HB ASP 100 -1.513 4.918 -8.253 825 2HB ASP 100 2HB ASP 100 -2.966 5.764 -8.747 826 HD2 ASP 100 HD ASP 100 -0.565 4.705 -11.414 827 H ASN 101 H ASN 101 -1.713 9.564 -7.393 828 HA ASN 101 HA ASN 101 -4.375 9.300 -6.354 829 1HB ASN 101 1HB ASN 101 -3.117 12.004 -6.772 830 2HB ASN 101 2HB ASN 101 -4.019 11.407 -5.393 831 1HD2 ASN 101 1HD2 ASN 101 -2.637 8.979 -5.006 832 2HD2 ASN 101 2HD2 ASN 101 -1.050 9.315 -4.396 833 H SER 102 H SER 102 -5.533 11.771 -7.123 834 HA SER 102 HA SER 102 -6.068 11.209 -9.887 835 1HB SER 102 1HB SER 102 -7.530 13.500 -8.932 836 2HB SER 102 2HB SER 102 -8.142 11.908 -9.334 837 HG SER 102 HG SER 102 -8.014 11.259 -7.228 838 H LEU 103 H LEU 103 -3.519 12.599 -8.684 839 HA LEU 103 HA LEU 103 -3.726 15.166 -10.052 840 1HB LEU 103 1HB LEU 103 -2.874 15.046 -7.733 841 2HB LEU 103 2HB LEU 103 -1.544 14.051 -8.286 842 HG LEU 103 HG LEU 103 -1.277 16.201 -9.943 843 1HD1 LEU 103 1HD1 LEU 103 -3.199 17.158 -8.321 844 2HD1 LEU 103 2HD1 LEU 103 -1.759 17.638 -7.392 845 3HD1 LEU 103 3HD1 LEU 103 -1.951 18.178 -9.076 846 1HD2 LEU 103 1HD2 LEU 103 0.238 14.938 -8.090 847 2HD2 LEU 103 2HD2 LEU 103 0.731 16.418 -8.946 848 3HD2 LEU 103 3HD2 LEU 103 0.034 16.526 -7.311 849 H VAL 104 H VAL 104 -3.290 12.082 -10.996 850 HA VAL 104 HA VAL 104 -1.409 12.908 -13.078 851 HB VAL 104 HB VAL 104 -1.125 10.713 -11.108 852 1HG1 VAL 104 1HG1 VAL 104 -0.442 10.340 -14.044 853 2HG1 VAL 104 2HG1 VAL 104 0.164 9.314 -12.721 854 3HG1 VAL 104 3HG1 VAL 104 -1.580 9.375 -13.072 855 1HG2 VAL 104 1HG2 VAL 104 1.210 11.571 -12.661 856 2HG2 VAL 104 2HG2 VAL 104 0.354 12.922 -11.881 857 3HG2 VAL 104 3HG2 VAL 104 0.944 11.558 -10.901 858 H GLU 105 H GLU 105 -4.479 12.172 -12.350 859 HA GLU 105 HA GLU 105 -4.926 11.134 -14.970 860 1HB GLU 105 1HB GLU 105 -6.311 9.543 -12.835 861 2HB GLU 105 2HB GLU 105 -5.839 9.061 -14.453 862 1HG GLU 105 1HG GLU 105 -3.475 8.927 -13.783 863 2HG GLU 105 2HG GLU 105 -3.845 9.581 -12.200 864 HE2 GLU 105 HE GLU 105 -3.986 6.225 -11.272 865 H GLY 106 H GLY 106 -6.108 12.233 -11.777 866 1HA GLY 106 1HA GLY 106 -7.620 14.004 -11.565 867 2HA GLY 106 2HA GLY 106 -8.288 13.644 -13.145 868 H MET 107 H MET 107 -8.466 10.706 -12.710 869 HA MET 107 HA MET 107 -10.377 10.603 -10.528 870 1HB MET 107 1HB MET 107 -12.070 9.574 -11.962 871 2HB MET 107 2HB MET 107 -11.548 11.042 -12.766 872 1HG MET 107 1HG MET 107 -10.278 8.337 -13.379 873 2HG MET 107 2HG MET 107 -11.712 8.896 -14.218 874 1HE MET 107 1HE MET 107 -8.333 8.408 -15.250 875 2HE MET 107 2HE MET 107 -7.452 9.939 -15.033 876 3HE MET 107 3HE MET 107 -8.071 9.059 -13.614 877 H ARG 108 H ARG 108 -7.581 9.613 -10.942 878 HA ARG 108 HA ARG 108 -7.143 7.189 -11.719 879 1HB ARG 108 1HB ARG 108 -5.473 6.980 -10.022 880 2HB ARG 108 2HB ARG 108 -5.700 8.711 -10.181 881 1HG ARG 108 1HG ARG 108 -6.824 6.886 -8.016 882 2HG ARG 108 2HG ARG 108 -5.693 8.210 -7.813 883 1HD ARG 108 1HD ARG 108 -7.455 9.838 -8.512 884 2HD ARG 108 2HD ARG 108 -8.585 8.522 -8.759 885 HE ARG 108 HE ARG 108 -7.614 9.542 -6.152 886 1HH1 ARG 108 2HH2 ARG 108 -9.492 7.085 -7.880 887 2HH1 ARG 108 1HH2 ARG 108 -10.366 6.584 -6.471 888 1HH2 ARG 108 1HH ARG 108 -9.924 7.654 -4.373 Start of MODEL 10 1 H MET 1 H MET 1 -12.357 -11.583 -0.137 2 HA MET 1 HA MET 1 -11.025 -9.396 -0.722 3 1HB MET 1 1HB MET 1 -10.490 -10.177 2.173 4 2HB MET 1 2HB MET 1 -9.207 -9.434 1.240 5 1HG MET 1 1HG MET 1 -11.701 -7.954 0.861 6 2HG MET 1 2HG MET 1 -11.356 -8.117 2.571 7 1HE MET 1 1HE MET 1 -10.191 -4.718 0.618 8 2HE MET 1 2HE MET 1 -11.641 -5.724 0.849 9 3HE MET 1 3HE MET 1 -10.837 -4.985 2.255 10 H ALA 2 H ALA 2 -10.151 -12.340 1.238 11 HA ALA 2 HA ALA 2 -7.847 -12.904 -0.261 12 1HB ALA 2 1HB ALA 2 -9.228 -15.184 1.013 13 2HB ALA 2 2HB ALA 2 -7.598 -14.533 1.296 14 3HB ALA 2 3HB ALA 2 -9.004 -13.782 2.085 15 H LYS 3 H LYS 3 -7.609 -15.088 -1.493 16 HA LYS 3 HA LYS 3 -10.007 -15.803 -2.953 17 1HB LYS 3 1HB LYS 3 -8.888 -13.809 -4.110 18 2HB LYS 3 2HB LYS 3 -7.566 -14.895 -4.488 19 1HG LYS 3 1HG LYS 3 -9.061 -16.402 -5.713 20 2HG LYS 3 2HG LYS 3 -10.474 -15.507 -5.189 21 1HD LYS 3 1HD LYS 3 -10.242 -13.988 -6.864 22 2HD LYS 3 2HD LYS 3 -8.560 -13.704 -6.467 23 1HE LYS 3 1HE LYS 3 -7.882 -14.939 -8.246 24 2HE LYS 3 2HE LYS 3 -8.777 -16.331 -7.671 25 1HZ LYS 3 1HZ LYS 3 -10.803 -15.092 -8.662 26 2HZ LYS 3 2HZ LYS 3 -9.716 -14.216 -9.498 27 H GLU 4 H GLU 4 -9.717 -17.773 -1.724 28 HA GLU 4 HA GLU 4 -7.288 -19.172 -1.893 29 1HB GLU 4 1HB GLU 4 -8.792 -21.106 -1.033 30 2HB GLU 4 2HB GLU 4 -8.610 -19.694 -0.011 31 1HG GLU 4 1HG GLU 4 -10.811 -19.095 -0.227 32 2HG GLU 4 2HG GLU 4 -10.838 -19.437 -1.946 33 HE2 GLU 4 HE GLU 4 -12.703 -22.214 -1.299 34 H PHE 5 H PHE 5 -6.771 -19.255 -4.170 35 HA PHE 5 HA PHE 5 -8.507 -21.097 -5.658 36 1HB PHE 5 1HB PHE 5 -8.400 -18.739 -6.538 37 2HB PHE 5 2HB PHE 5 -6.649 -18.801 -6.522 38 HD1 PHE 5 HD1 PHE 5 -6.674 -18.149 -8.902 39 HD2 PHE 5 HD2 PHE 5 -8.431 -21.781 -7.588 40 HE1 PHE 5 HE1 PHE 5 -6.683 -19.000 -11.263 41 HE2 PHE 5 HE2 PHE 5 -8.441 -22.631 -9.949 42 HZ PHE 5 HZ PHE 5 -7.566 -21.230 -11.759 43 H GLY 6 H GLY 6 -5.836 -21.168 -3.834 44 1HA GLY 6 1HA GLY 6 -4.163 -22.686 -3.724 45 2HA GLY 6 2HA GLY 6 -4.697 -23.382 -5.242 46 H ARG 7 H ARG 7 -4.612 -20.485 -6.438 47 HA ARG 7 HA ARG 7 -2.001 -20.782 -7.445 48 1HB ARG 7 1HB ARG 7 -4.409 -19.257 -8.067 49 2HB ARG 7 2HB ARG 7 -3.021 -18.188 -8.117 50 1HG ARG 7 1HG ARG 7 -1.873 -19.622 -9.724 51 2HG ARG 7 2HG ARG 7 -3.072 -20.886 -9.539 52 1HD ARG 7 1HD ARG 7 -4.795 -19.047 -10.326 53 2HD ARG 7 2HD ARG 7 -3.380 -18.187 -10.901 54 HE ARG 7 HE ARG 7 -4.565 -20.526 -12.117 55 1HH1 ARG 7 2HH2 ARG 7 -1.427 -18.985 -11.540 56 2HH1 ARG 7 1HH2 ARG 7 -0.674 -19.718 -12.916 57 1HH2 ARG 7 1HH ARG 7 -1.955 -21.190 -14.309 58 HA PRO 8 HA PRO 8 0.095 -17.729 -5.107 59 1HB PRO 8 1HB PRO 8 1.252 -15.970 -6.850 60 2HB PRO 8 2HB PRO 8 1.897 -17.568 -6.533 61 1HG PRO 8 1HG PRO 8 0.416 -16.603 -8.903 62 2HG PRO 8 2HG PRO 8 1.420 -18.030 -8.742 63 1HD PRO 8 1HD PRO 8 -1.447 -17.943 -8.766 64 2HD PRO 8 2HD PRO 8 -0.443 -19.353 -8.490 65 H GLN 9 H GLN 9 -2.692 -16.926 -6.491 66 HA GLN 9 HA GLN 9 -2.563 -14.142 -5.821 67 1HB GLN 9 1HB GLN 9 -4.302 -15.893 -7.392 68 2HB GLN 9 2HB GLN 9 -5.251 -14.859 -6.342 69 1HG GLN 9 1HG GLN 9 -4.872 -13.712 -8.477 70 2HG GLN 9 2HG GLN 9 -4.026 -12.855 -7.204 71 1HE2 GLN 9 1HE2 GLN 9 -1.957 -12.432 -7.439 72 2HE2 GLN 9 2HE2 GLN 9 -0.880 -13.129 -8.603 73 H ARG 10 H ARG 10 -3.726 -17.214 -4.463 74 HA ARG 10 HA ARG 10 -5.565 -16.353 -2.692 75 1HB ARG 10 1HB ARG 10 -4.836 -18.745 -3.101 76 2HB ARG 10 2HB ARG 10 -3.399 -18.444 -2.146 77 1HG ARG 10 1HG ARG 10 -6.121 -17.849 -0.957 78 2HG ARG 10 2HG ARG 10 -5.554 -19.506 -1.015 79 1HD ARG 10 1HD ARG 10 -3.373 -17.887 -0.048 80 2HD ARG 10 2HD ARG 10 -4.805 -17.417 0.843 81 HE ARG 10 HE ARG 10 -4.729 -20.275 0.706 82 1HH1 ARG 10 2HH2 ARG 10 -2.995 -17.598 2.248 83 2HH1 ARG 10 1HH2 ARG 10 -2.485 -18.546 3.605 84 1HH2 ARG 10 1HH ARG 10 -3.120 -20.853 3.730 85 H VAL 11 H VAL 11 -1.987 -16.716 -2.085 86 HA VAL 11 HA VAL 11 -2.129 -15.471 0.451 87 HB VAL 11 HB VAL 11 -0.215 -16.809 -1.219 88 1HG1 VAL 11 1HG1 VAL 11 1.814 -15.532 -0.502 89 2HG1 VAL 11 2HG1 VAL 11 0.796 -14.668 -1.680 90 3HG1 VAL 11 3HG1 VAL 11 0.742 -14.217 0.041 91 1HG2 VAL 11 1HG2 VAL 11 -1.083 -16.963 1.350 92 2HG2 VAL 11 2HG2 VAL 11 0.416 -17.718 0.756 93 3HG2 VAL 11 3HG2 VAL 11 0.480 -16.144 1.587 94 H ALA 12 H ALA 12 -1.352 -14.378 -2.891 95 HA ALA 12 HA ALA 12 -0.374 -11.883 -2.339 96 1HB ALA 12 1HB ALA 12 -0.526 -13.019 -4.569 97 2HB ALA 12 2HB ALA 12 -2.266 -12.646 -4.598 98 3HB ALA 12 3HB ALA 12 -1.073 -11.326 -4.601 99 H GLN 13 H GLN 13 -3.769 -13.061 -2.359 100 HA GLN 13 HA GLN 13 -4.829 -10.467 -2.035 101 1HB GLN 13 1HB GLN 13 -6.059 -13.217 -1.561 102 2HB GLN 13 2HB GLN 13 -6.964 -11.717 -1.543 103 1HG GLN 13 1HG GLN 13 -6.056 -13.295 -3.833 104 2HG GLN 13 2HG GLN 13 -7.241 -12.005 -3.782 105 1HE2 GLN 13 1HE2 GLN 13 -6.362 -9.769 -3.562 106 2HE2 GLN 13 2HE2 GLN 13 -4.949 -9.349 -4.471 107 H GLU 14 H GLU 14 -4.792 -13.340 0.208 108 HA GLU 14 HA GLU 14 -5.671 -12.211 2.427 109 1HB GLU 14 1HB GLU 14 -4.228 -14.534 1.776 110 2HB GLU 14 2HB GLU 14 -3.257 -13.781 3.026 111 1HG GLU 14 1HG GLU 14 -5.988 -13.547 3.866 112 2HG GLU 14 2HG GLU 14 -5.784 -15.189 3.291 113 HE2 GLU 14 HE GLU 14 -4.641 -16.522 4.579 114 H MET 15 H MET 15 -2.336 -11.869 1.098 115 HA MET 15 HA MET 15 -1.455 -10.353 3.316 116 1HB MET 15 1HB MET 15 -0.370 -11.554 0.911 117 2HB MET 15 2HB MET 15 0.110 -9.869 0.913 118 1HG MET 15 1HG MET 15 0.769 -10.315 3.437 119 2HG MET 15 2HG MET 15 0.726 -12.005 2.980 120 1HE MET 15 1HE MET 15 4.279 -10.085 3.219 121 2HE MET 15 2HE MET 15 2.871 -10.581 4.190 122 3HE MET 15 3HE MET 15 3.934 -11.813 3.468 123 H GLN 16 H GLN 16 -2.785 -9.638 0.059 124 HA GLN 16 HA GLN 16 -2.147 -6.940 0.050 125 1HB GLN 16 1HB GLN 16 -2.850 -8.224 -1.956 126 2HB GLN 16 2HB GLN 16 -4.464 -8.398 -1.298 127 1HG GLN 16 1HG GLN 16 -3.507 -5.588 -1.367 128 2HG GLN 16 2HG GLN 16 -3.623 -6.328 -2.951 129 1HE2 GLN 16 1HE2 GLN 16 -5.332 -5.020 -3.539 130 2HE2 GLN 16 2HE2 GLN 16 -6.946 -5.235 -2.946 131 H LYS 17 H LYS 17 -4.844 -8.793 1.489 132 HA LYS 17 HA LYS 17 -6.377 -6.458 2.086 133 1HB LYS 17 1HB LYS 17 -7.889 -7.971 3.166 134 2HB LYS 17 2HB LYS 17 -7.367 -8.697 1.659 135 1HG LYS 17 1HG LYS 17 -5.971 -10.277 2.741 136 2HG LYS 17 2HG LYS 17 -5.841 -9.316 4.202 137 1HD LYS 17 1HD LYS 17 -8.639 -9.938 3.740 138 2HD LYS 17 2HD LYS 17 -7.710 -11.419 3.638 139 1HE LYS 17 1HE LYS 17 -6.577 -10.723 5.847 140 2HE LYS 17 2HE LYS 17 -7.770 -9.445 5.962 141 1HZ LYS 17 1HZ LYS 17 -9.512 -11.050 6.073 142 2HZ LYS 17 2HZ LYS 17 -8.550 -12.287 5.631 143 H GLU 18 H GLU 18 -3.991 -8.549 3.761 144 HA GLU 18 HA GLU 18 -4.402 -7.378 6.268 145 1HB GLU 18 1HB GLU 18 -3.348 -9.596 5.958 146 2HB GLU 18 2HB GLU 18 -1.985 -8.858 5.141 147 1HG GLU 18 1HG GLU 18 -1.102 -8.978 7.283 148 2HG GLU 18 2HG GLU 18 -1.847 -7.395 7.382 149 HE2 GLU 18 HE GLU 18 -2.423 -10.713 8.794 150 H ILE 19 H ILE 19 -2.091 -6.758 3.565 151 HA ILE 19 HA ILE 19 -0.701 -4.729 4.991 152 HB ILE 19 HB ILE 19 0.556 -4.455 3.045 153 1HG1 ILE 19 1HG1 ILE 19 -1.767 -5.662 1.522 154 2HG1 ILE 19 2HG1 ILE 19 -1.186 -4.010 1.437 155 1HG2 ILE 19 1HG2 ILE 19 0.318 -7.143 2.232 156 2HG2 ILE 19 2HG2 ILE 19 1.463 -6.446 3.402 157 3HG2 ILE 19 3HG2 ILE 19 -0.093 -7.103 3.964 158 1HD1 ILE 19 1HD1 ILE 19 -0.125 -6.450 0.136 159 2HD1 ILE 19 2HD1 ILE 19 0.035 -4.744 -0.345 160 3HD1 ILE 19 3HD1 ILE 19 1.127 -5.430 0.882 161 H ALA 20 H ALA 20 -3.325 -4.813 2.513 162 HA ALA 20 HA ALA 20 -3.511 -2.092 2.082 163 1HB ALA 20 1HB ALA 20 -4.664 -3.661 0.674 164 2HB ALA 20 2HB ALA 20 -5.577 -4.322 2.053 165 3HB ALA 20 3HB ALA 20 -5.908 -2.672 1.474 166 H LEU 21 H LEU 21 -4.796 -4.156 4.723 167 HA LEU 21 HA LEU 21 -6.425 -2.142 5.841 168 1HB LEU 21 1HB LEU 21 -6.913 -4.407 6.299 169 2HB LEU 21 2HB LEU 21 -5.285 -4.736 6.858 170 HG LEU 21 HG LEU 21 -6.348 -2.667 8.510 171 1HD1 LEU 21 1HD1 LEU 21 -8.579 -3.235 7.912 172 2HD1 LEU 21 2HD1 LEU 21 -8.251 -4.977 8.066 173 3HD1 LEU 21 3HD1 LEU 21 -8.270 -3.944 9.515 174 1HD2 LEU 21 1HD2 LEU 21 -6.214 -4.638 10.213 175 2HD2 LEU 21 2HD2 LEU 21 -5.472 -5.519 8.856 176 3HD2 LEU 21 3HD2 LEU 21 -4.728 -4.016 9.454 177 H ILE 22 H ILE 22 -3.209 -3.481 6.893 178 HA ILE 22 HA ILE 22 -2.784 -1.548 8.842 179 HB ILE 22 HB ILE 22 -0.870 -3.246 7.241 180 1HG1 ILE 22 1HG1 ILE 22 -1.895 -3.616 10.069 181 2HG1 ILE 22 2HG1 ILE 22 -2.611 -4.388 8.667 182 1HG2 ILE 22 1HG2 ILE 22 0.300 -1.286 8.126 183 2HG2 ILE 22 2HG2 ILE 22 -0.326 -1.639 9.754 184 3HG2 ILE 22 3HG2 ILE 22 0.796 -2.775 8.965 185 1HD1 ILE 22 1HD1 ILE 22 0.288 -4.740 8.632 186 2HD1 ILE 22 2HD1 ILE 22 -0.402 -5.313 10.170 187 3HD1 ILE 22 3HD1 ILE 22 -0.996 -5.975 8.628 188 H LEU 23 H LEU 23 -2.681 -1.374 5.359 189 HA LEU 23 HA LEU 23 -0.984 0.973 5.392 190 1HB LEU 23 1HB LEU 23 -0.878 -0.867 3.664 191 2HB LEU 23 2HB LEU 23 -2.420 -0.291 3.061 192 HG LEU 23 HG LEU 23 -1.359 1.952 2.662 193 1HD1 LEU 23 1HD1 LEU 23 1.362 1.163 2.491 194 2HD1 LEU 23 2HD1 LEU 23 0.631 2.423 3.514 195 3HD1 LEU 23 3HD1 LEU 23 0.789 0.760 4.126 196 1HD2 LEU 23 1HD2 LEU 23 -0.033 1.173 0.659 197 2HD2 LEU 23 2HD2 LEU 23 -0.312 -0.493 1.223 198 3HD2 LEU 23 3HD2 LEU 23 -1.692 0.543 0.786 199 H GLN 24 H GLN 24 -4.311 0.132 5.768 200 HA GLN 24 HA GLN 24 -5.052 2.852 5.016 201 1HB GLN 24 1HB GLN 24 -6.397 0.221 4.740 202 2HB GLN 24 2HB GLN 24 -7.441 1.487 5.352 203 1HG GLN 24 1HG GLN 24 -7.637 2.345 3.266 204 2HG GLN 24 2HG GLN 24 -5.912 2.648 3.221 205 1HE2 GLN 24 1HE2 GLN 24 -5.887 2.190 1.013 206 2HE2 GLN 24 2HE2 GLN 24 -5.930 0.574 0.392 207 H ARG 25 H ARG 25 -4.280 0.873 7.641 208 HA ARG 25 HA ARG 25 -6.085 2.368 9.365 209 1HB ARG 25 1HB ARG 25 -5.404 -0.431 9.262 210 2HB ARG 25 2HB ARG 25 -4.755 0.200 10.761 211 1HG ARG 25 1HG ARG 25 -7.558 1.019 10.025 212 2HG ARG 25 2HG ARG 25 -7.317 -0.641 10.535 213 1HD ARG 25 1HD ARG 25 -6.002 0.382 12.563 214 2HD ARG 25 2HD ARG 25 -6.749 1.902 12.109 215 HE ARG 25 HE ARG 25 -8.671 -0.297 12.317 216 1HH1 ARG 25 2HH2 ARG 25 -6.967 2.224 14.132 217 2HH1 ARG 25 1HH2 ARG 25 -8.144 2.280 15.400 218 1HH2 ARG 25 1HH ARG 25 -10.051 0.833 15.297 219 H GLU 26 H GLU 26 -2.756 0.900 9.210 220 HA GLU 26 HA GLU 26 -1.841 2.526 11.333 221 1HB GLU 26 1HB GLU 26 -0.032 1.143 11.296 222 2HB GLU 26 2HB GLU 26 -0.991 0.177 10.194 223 1HG GLU 26 1HG GLU 26 0.897 0.428 8.876 224 2HG GLU 26 2HG GLU 26 0.028 1.862 8.365 225 HE2 GLU 26 HE GLU 26 3.341 2.985 9.292 226 H ILE 27 H ILE 27 -2.690 3.285 8.199 227 HA ILE 27 HA ILE 27 -0.500 5.190 7.843 228 HB ILE 27 HB ILE 27 -1.594 3.478 6.079 229 1HG1 ILE 27 1HG1 ILE 27 -0.304 6.176 5.656 230 2HG1 ILE 27 2HG1 ILE 27 0.444 4.591 5.628 231 1HG2 ILE 27 1HG2 ILE 27 -3.792 4.441 6.063 232 2HG2 ILE 27 2HG2 ILE 27 -3.134 6.067 5.763 233 3HG2 ILE 27 3HG2 ILE 27 -3.003 4.809 4.511 234 1HD1 ILE 27 1HD1 ILE 27 0.194 5.298 3.330 235 2HD1 ILE 27 2HD1 ILE 27 -1.017 4.025 3.613 236 3HD1 ILE 27 3HD1 ILE 27 -1.512 5.736 3.590 237 H LYS 28 H LYS 28 -1.532 7.312 6.619 238 HA LYS 28 HA LYS 28 -3.411 8.330 8.613 239 1HB LYS 28 1HB LYS 28 -2.582 10.515 8.070 240 2HB LYS 28 2HB LYS 28 -1.216 9.459 8.368 241 1HG LYS 28 1HG LYS 28 -1.722 9.175 5.600 242 2HG LYS 28 2HG LYS 28 -1.960 10.885 5.909 243 1HD LYS 28 1HD LYS 28 0.370 10.672 5.426 244 2HD LYS 28 2HD LYS 28 0.288 10.850 7.168 245 1HE LYS 28 1HE LYS 28 0.238 8.072 5.954 246 2HE LYS 28 2HE LYS 28 1.766 8.919 6.100 247 1HZ LYS 28 1HZ LYS 28 0.809 7.472 8.076 248 2HZ LYS 28 2HZ LYS 28 1.679 8.813 8.383 249 H ASP 29 H ASP 29 -5.111 6.997 7.446 250 HA ASP 29 HA ASP 29 -5.807 7.989 4.858 251 1HB ASP 29 1HB ASP 29 -6.562 5.841 4.829 252 2HB ASP 29 2HB ASP 29 -6.493 5.717 6.576 253 HD2 ASP 29 HD ASP 29 -9.235 5.391 7.218 254 HA PRO 30 HA PRO 30 -9.345 9.586 7.653 255 1HB PRO 30 1HB PRO 30 -9.082 9.443 10.370 256 2HB PRO 30 2HB PRO 30 -9.947 8.245 9.426 257 1HG PRO 30 1HG PRO 30 -7.273 8.047 10.672 258 2HG PRO 30 2HG PRO 30 -8.319 6.761 10.105 259 1HD PRO 30 1HD PRO 30 -5.987 7.783 8.785 260 2HD PRO 30 2HD PRO 30 -7.098 6.578 8.166 261 H ARG 31 H ARG 31 -6.113 10.200 7.926 262 HA ARG 31 HA ARG 31 -6.480 12.670 9.312 263 1HB ARG 31 1HB ARG 31 -4.316 10.920 8.877 264 2HB ARG 31 2HB ARG 31 -3.910 12.314 7.895 265 1HG ARG 31 1HG ARG 31 -3.856 13.782 9.748 266 2HG ARG 31 2HG ARG 31 -4.892 12.758 10.723 267 1HD ARG 31 1HD ARG 31 -3.020 11.037 10.802 268 2HD ARG 31 2HD ARG 31 -1.992 12.175 9.957 269 HE ARG 31 HE ARG 31 -3.010 13.609 12.143 270 1HH1 ARG 31 2HH2 ARG 31 -1.090 10.663 11.710 271 2HH1 ARG 31 1HH2 ARG 31 -0.259 10.833 13.221 272 1HH2 ARG 31 1HH ARG 31 -0.761 12.706 14.630 273 H LEU 32 H LEU 32 -5.799 11.472 5.976 274 HA LEU 32 HA LEU 32 -5.493 14.067 4.872 275 1HB LEU 32 1HB LEU 32 -6.019 11.371 3.618 276 2HB LEU 32 2HB LEU 32 -5.687 12.835 2.714 277 HG LEU 32 HG LEU 32 -3.773 11.688 4.759 278 1HD1 LEU 32 1HD1 LEU 32 -3.232 10.066 3.347 279 2HD1 LEU 32 2HD1 LEU 32 -4.436 10.648 2.172 280 3HD1 LEU 32 3HD1 LEU 32 -2.778 11.292 2.138 281 1HD2 LEU 32 1HD2 LEU 32 -2.712 13.293 2.552 282 2HD2 LEU 32 2HD2 LEU 32 -3.840 14.187 3.601 283 3HD2 LEU 32 3HD2 LEU 32 -2.408 13.394 4.302 284 H GLY 33 H GLY 33 -8.213 11.999 5.723 285 1HA GLY 33 1HA GLY 33 -10.386 12.735 5.924 286 2HA GLY 33 2HA GLY 33 -10.034 14.123 4.914 287 H MET 34 H MET 34 -8.961 10.897 3.900 288 HA MET 34 HA MET 34 -11.283 10.645 2.194 289 1HB MET 34 1HB MET 34 -8.368 10.830 1.270 290 2HB MET 34 2HB MET 34 -9.619 10.137 0.256 291 1HG MET 34 1HG MET 34 -9.646 12.368 -0.466 292 2HG MET 34 2HG MET 34 -10.912 12.401 0.745 293 1HE MET 34 1HE MET 34 -7.928 13.766 -0.623 294 2HE MET 34 2HE MET 34 -7.089 14.709 0.632 295 3HE MET 34 3HE MET 34 -6.834 12.951 0.521 296 H MET 35 H MET 35 -11.330 8.446 1.072 297 HA MET 35 HA MET 35 -10.151 6.520 2.901 298 1HB MET 35 1HB MET 35 -12.751 6.832 2.029 299 2HB MET 35 2HB MET 35 -12.170 5.695 0.829 300 1HG MET 35 1HG MET 35 -11.746 4.004 2.426 301 2HG MET 35 2HG MET 35 -11.578 5.145 3.745 302 1HE MET 35 1HE MET 35 -14.736 4.386 5.454 303 2HE MET 35 2HE MET 35 -13.215 3.494 5.199 304 3HE MET 35 3HE MET 35 -13.182 5.255 5.467 305 H THR 36 H THR 36 -8.023 6.425 1.966 306 HA THR 36 HA THR 36 -7.379 6.235 -0.678 307 HB THR 36 HB THR 36 -5.363 4.949 0.245 308 HG1 THR 36 HG1 THR 36 -6.763 3.890 1.911 309 1HG2 THR 36 1HG2 THR 36 -5.940 7.597 0.618 310 2HG2 THR 36 2HG2 THR 36 -5.926 7.054 2.312 311 3HG2 THR 36 3HG2 THR 36 -4.484 6.829 1.295 312 H THR 37 H THR 37 -6.490 4.242 -1.855 313 HA THR 37 HA THR 37 -8.106 1.871 -1.328 314 HB THR 37 HB THR 37 -8.275 3.699 -3.750 315 HG1 THR 37 HG1 THR 37 -10.138 1.973 -2.286 316 1HG2 THR 37 1HG2 THR 37 -9.184 0.779 -3.674 317 2HG2 THR 37 2HG2 THR 37 -9.318 1.914 -5.038 318 3HG2 THR 37 3HG2 THR 37 -7.720 1.313 -4.534 319 H VAL 38 H VAL 38 -7.388 -0.011 -2.679 320 HA VAL 38 HA VAL 38 -4.562 0.296 -3.411 321 HB VAL 38 HB VAL 38 -4.758 -0.685 -1.178 322 1HG1 VAL 38 1HG1 VAL 38 -6.000 -2.564 -0.639 323 2HG1 VAL 38 2HG1 VAL 38 -7.068 -1.759 -1.816 324 3HG1 VAL 38 3HG1 VAL 38 -6.065 -3.139 -2.324 325 1HG2 VAL 38 1HG2 VAL 38 -2.840 -1.566 -1.977 326 2HG2 VAL 38 2HG2 VAL 38 -3.770 -3.084 -2.032 327 3HG2 VAL 38 3HG2 VAL 38 -3.596 -2.094 -3.500 328 H SER 39 H SER 39 -5.394 0.545 -5.614 329 HA SER 39 HA SER 39 -6.755 -1.776 -6.648 330 1HB SER 39 1HB SER 39 -6.770 0.992 -7.262 331 2HB SER 39 2HB SER 39 -6.012 0.225 -8.644 332 HG SER 39 HG SER 39 -7.869 -1.248 -8.736 333 H GLY 40 H GLY 40 -3.957 -1.989 -5.674 334 1HA GLY 40 1HA GLY 40 -2.843 -3.432 -7.832 335 2HA GLY 40 2HA GLY 40 -2.055 -1.870 -7.706 336 H VAL 41 H VAL 41 -1.421 -4.904 -6.969 337 HA VAL 41 HA VAL 41 0.087 -4.175 -4.612 338 HB VAL 41 HB VAL 41 -2.010 -4.932 -3.666 339 1HG1 VAL 41 1HG1 VAL 41 -3.213 -6.360 -4.925 340 2HG1 VAL 41 2HG1 VAL 41 -1.769 -7.020 -5.731 341 3HG1 VAL 41 3HG1 VAL 41 -2.251 -7.630 -4.130 342 1HG2 VAL 41 1HG2 VAL 41 -0.905 -7.251 -2.696 343 2HG2 VAL 41 2HG2 VAL 41 0.527 -6.386 -3.301 344 3HG2 VAL 41 3HG2 VAL 41 -0.539 -5.613 -2.103 345 H GLU 42 H GLU 42 2.080 -5.163 -4.618 346 HA GLU 42 HA GLU 42 2.363 -7.444 -6.395 347 1HB GLU 42 1HB GLU 42 4.382 -5.167 -6.338 348 2HB GLU 42 2HB GLU 42 4.349 -6.532 -7.436 349 1HG GLU 42 1HG GLU 42 1.861 -5.527 -7.927 350 2HG GLU 42 2HG GLU 42 2.666 -4.048 -7.440 351 HE2 GLU 42 HE GLU 42 2.395 -5.777 -10.510 352 H MET 43 H MET 43 3.471 -9.108 -5.432 353 HA MET 43 HA MET 43 5.224 -8.380 -3.224 354 1HB MET 43 1HB MET 43 3.666 -10.956 -3.053 355 2HB MET 43 2HB MET 43 4.165 -9.887 -1.758 356 1HG MET 43 1HG MET 43 1.953 -9.225 -3.763 357 2HG MET 43 2HG MET 43 1.665 -9.893 -2.168 358 1HE MET 43 1HE MET 43 1.981 -7.106 0.232 359 2HE MET 43 2HE MET 43 0.718 -8.145 -0.472 360 3HE MET 43 3HE MET 43 2.285 -8.845 0.000 361 H SER 44 H SER 44 7.238 -8.921 -3.978 362 HA SER 44 HA SER 44 7.423 -11.474 -5.375 363 1HB SER 44 1HB SER 44 8.378 -8.865 -6.076 364 2HB SER 44 2HB SER 44 9.789 -9.838 -5.715 365 HG SER 44 HG SER 44 9.080 -11.417 -7.254 366 H ARG 45 H ARG 45 8.088 -13.014 -3.907 367 HA ARG 45 HA ARG 45 9.987 -12.146 -1.897 368 1HB ARG 45 1HB ARG 45 8.014 -14.439 -2.108 369 2HB ARG 45 2HB ARG 45 9.388 -14.610 -1.036 370 1HG ARG 45 1HG ARG 45 8.158 -13.495 0.517 371 2HG ARG 45 2HG ARG 45 8.468 -12.047 -0.419 372 1HD ARG 45 1HD ARG 45 6.014 -12.433 0.044 373 2HD ARG 45 2HD ARG 45 6.384 -12.306 -1.664 374 HE ARG 45 HE ARG 45 6.502 -15.064 -0.740 375 1HH1 ARG 45 2HH2 ARG 45 4.277 -12.518 -1.797 376 2HH1 ARG 45 1HH2 ARG 45 3.054 -13.630 -2.317 377 1HH2 ARG 45 1HH ARG 45 3.437 -15.984 -2.089 378 H ASP 46 H ASP 46 9.943 -13.492 -4.967 379 HA ASP 46 HA ASP 46 11.516 -15.718 -4.794 380 1HB ASP 46 1HB ASP 46 10.361 -14.359 -6.821 381 2HB ASP 46 2HB ASP 46 11.990 -13.745 -7.024 382 HD2 ASP 46 HD ASP 46 12.251 -15.741 -9.262 383 H LEU 47 H LEU 47 12.221 -12.387 -4.097 384 HA LEU 47 HA LEU 47 15.031 -13.051 -3.760 385 1HB LEU 47 1HB LEU 47 14.053 -11.451 -5.911 386 2HB LEU 47 2HB LEU 47 14.911 -10.404 -4.800 387 HG LEU 47 HG LEU 47 16.581 -12.635 -5.075 388 1HD1 LEU 47 1HD1 LEU 47 15.566 -11.815 -7.809 389 2HD1 LEU 47 2HD1 LEU 47 16.868 -12.972 -7.446 390 3HD1 LEU 47 3HD1 LEU 47 15.189 -13.352 -6.994 391 1HD2 LEU 47 1HD2 LEU 47 17.442 -10.438 -4.813 392 2HD2 LEU 47 2HD2 LEU 47 17.996 -11.020 -6.401 393 3HD2 LEU 47 3HD2 LEU 47 16.641 -9.870 -6.298 394 H ALA 48 H ALA 48 12.979 -10.057 -3.656 395 HA ALA 48 HA ALA 48 12.291 -9.923 -1.097 396 1HB ALA 48 1HB ALA 48 14.410 -8.490 -0.250 397 2HB ALA 48 2HB ALA 48 14.285 -10.249 -0.007 398 3HB ALA 48 3HB ALA 48 15.253 -9.604 -1.353 399 H TYR 49 H TYR 49 11.053 -8.868 -3.084 400 HA TYR 49 HA TYR 49 11.288 -6.033 -2.673 401 1HB TYR 49 1HB TYR 49 11.622 -5.602 -5.112 402 2HB TYR 49 2HB TYR 49 12.932 -6.611 -4.534 403 HD1 TYR 49 HD1 TYR 49 13.114 -8.958 -5.210 404 HD2 TYR 49 HD2 TYR 49 9.902 -6.502 -6.612 405 HE1 TYR 49 HE1 TYR 49 12.573 -10.676 -7.005 406 HE2 TYR 49 HE2 TYR 49 9.373 -8.228 -8.402 407 HH TYR 49 HH TYR 49 10.090 -10.026 -9.432 408 H ALA 50 H ALA 50 9.303 -5.032 -2.892 409 HA ALA 50 HA ALA 50 7.220 -6.517 -4.306 410 1HB ALA 50 1HB ALA 50 5.895 -5.491 -2.103 411 2HB ALA 50 2HB ALA 50 6.404 -7.185 -2.304 412 3HB ALA 50 3HB ALA 50 7.435 -6.047 -1.403 413 H LYS 51 H LYS 51 5.163 -5.005 -4.425 414 HA LYS 51 HA LYS 51 5.841 -2.201 -4.396 415 1HB LYS 51 1HB LYS 51 4.784 -2.910 -7.029 416 2HB LYS 51 2HB LYS 51 6.088 -1.826 -6.592 417 1HG LYS 51 1HG LYS 51 7.637 -3.737 -6.315 418 2HG LYS 51 2HG LYS 51 6.337 -4.872 -6.622 419 1HD LYS 51 1HD LYS 51 6.856 -4.760 -8.826 420 2HD LYS 51 2HD LYS 51 6.242 -3.119 -8.830 421 1HE LYS 51 1HE LYS 51 8.331 -2.328 -9.217 422 2HE LYS 51 2HE LYS 51 8.877 -3.008 -7.697 423 1HZ LYS 51 1HZ LYS 51 9.235 -5.140 -8.878 424 2HZ LYS 51 2HZ LYS 51 8.792 -4.457 -10.289 425 H VAL 52 H VAL 52 4.173 -1.612 -3.083 426 HA VAL 52 HA VAL 52 1.543 -2.741 -3.681 427 HB VAL 52 HB VAL 52 2.542 -2.872 -1.387 428 1HG1 VAL 52 1HG1 VAL 52 2.191 0.136 -1.527 429 2HG1 VAL 52 2HG1 VAL 52 2.347 -0.765 0.000 430 3HG1 VAL 52 3HG1 VAL 52 3.678 -0.782 -1.183 431 1HG2 VAL 52 1HG2 VAL 52 0.012 -2.801 -2.052 432 2HG2 VAL 52 2HG2 VAL 52 0.480 -2.669 -0.340 433 3HG2 VAL 52 3HG2 VAL 52 0.039 -1.208 -1.257 434 H TYR 53 H TYR 53 -0.136 -1.500 -4.456 435 HA TYR 53 HA TYR 53 0.587 1.245 -5.167 436 1HB TYR 53 1HB TYR 53 -0.641 -1.014 -6.431 437 2HB TYR 53 2HB TYR 53 -1.974 0.076 -6.114 438 HD1 TYR 53 HD1 TYR 53 -0.573 -0.874 -8.803 439 HD2 TYR 53 HD2 TYR 53 -0.424 2.700 -6.457 440 HE1 TYR 53 HE1 TYR 53 0.028 0.471 -10.877 441 HE2 TYR 53 HE2 TYR 53 0.178 4.033 -8.536 442 HH TYR 53 HH TYR 53 1.245 3.590 -10.709 443 H VAL 54 H VAL 54 -0.661 3.027 -4.560 444 HA VAL 54 HA VAL 54 -3.061 2.498 -3.001 445 HB VAL 54 HB VAL 54 -2.192 4.191 -1.306 446 1HG1 VAL 54 1HG1 VAL 54 -0.603 1.639 -1.186 447 2HG1 VAL 54 2HG1 VAL 54 -1.484 2.491 0.106 448 3HG1 VAL 54 3HG1 VAL 54 -2.381 1.585 -1.137 449 1HG2 VAL 54 1HG2 VAL 54 -0.204 4.811 -2.797 450 2HG2 VAL 54 2HG2 VAL 54 0.129 4.557 -1.067 451 3HG2 VAL 54 3HG2 VAL 54 0.538 3.289 -2.245 452 H THR 55 H THR 55 -4.644 3.763 -3.814 453 HA THR 55 HA THR 55 -3.802 6.236 -5.173 454 HB THR 55 HB THR 55 -4.842 4.958 -6.841 455 HG1 THR 55 HG1 THR 55 -6.257 6.716 -6.744 456 1HG2 THR 55 1HG2 THR 55 -7.051 3.661 -6.210 457 2HG2 THR 55 2HG2 THR 55 -5.490 2.926 -5.774 458 3HG2 THR 55 3HG2 THR 55 -6.448 3.779 -4.540 459 H PHE 56 H PHE 56 -4.593 8.190 -4.564 460 HA PHE 56 HA PHE 56 -6.623 8.121 -2.446 461 1HB PHE 56 1HB PHE 56 -4.330 10.137 -2.739 462 2HB PHE 56 2HB PHE 56 -5.324 9.874 -1.320 463 HD1 PHE 56 HD1 PHE 56 -5.219 6.911 -1.111 464 HD2 PHE 56 HD2 PHE 56 -2.165 9.726 -1.984 465 HE1 PHE 56 HE1 PHE 56 -3.497 5.326 -0.200 466 HE2 PHE 56 HE2 PHE 56 -0.444 8.143 -1.071 467 HZ PHE 56 HZ PHE 56 -1.131 5.962 -0.190 468 H LEU 57 H LEU 57 -7.700 10.354 -2.172 469 HA LEU 57 HA LEU 57 -8.167 11.417 -4.862 470 1HB LEU 57 1HB LEU 57 -10.033 10.334 -3.561 471 2HB LEU 57 2HB LEU 57 -9.923 11.662 -2.420 472 HG LEU 57 HG LEU 57 -10.163 13.026 -4.780 473 1HD1 LEU 57 1HD1 LEU 57 -12.080 11.928 -5.977 474 2HD1 LEU 57 2HD1 LEU 57 -10.505 11.126 -6.174 475 3HD1 LEU 57 3HD1 LEU 57 -11.717 10.444 -5.063 476 1HD2 LEU 57 1HD2 LEU 57 -11.379 13.498 -2.728 477 2HD2 LEU 57 2HD2 LEU 57 -12.497 13.418 -4.110 478 3HD2 LEU 57 3HD2 LEU 57 -12.393 12.054 -2.970 479 H ASN 58 H ASN 58 -5.937 12.023 -2.787 480 HA ASN 58 HA ASN 58 -6.397 14.477 -1.667 481 1HB ASN 58 1HB ASN 58 -4.065 12.795 -2.352 482 2HB ASN 58 2HB ASN 58 -3.678 14.502 -2.443 483 1HD2 ASN 58 1HD2 ASN 58 -5.253 15.617 -0.539 484 2HD2 ASN 58 2HD2 ASN 58 -4.820 15.062 1.044 485 H ASP 59 H ASP 59 -5.747 13.472 -5.000 486 HA ASP 59 HA ASP 59 -4.558 15.477 -6.201 487 1HB ASP 59 1HB ASP 59 -5.382 13.764 -7.603 488 2HB ASP 59 2HB ASP 59 -7.007 13.879 -6.957 489 HD2 ASP 59 HD ASP 59 -8.348 15.053 -9.015 490 H LYS 60 H LYS 60 -7.949 15.446 -4.962 491 HA LYS 60 HA LYS 60 -9.047 17.639 -6.030 492 1HB LYS 60 1HB LYS 60 -9.247 16.259 -3.423 493 2HB LYS 60 2HB LYS 60 -9.840 17.907 -3.427 494 1HG LYS 60 1HG LYS 60 -10.876 16.908 -5.816 495 2HG LYS 60 2HG LYS 60 -10.944 15.503 -4.770 496 1HD LYS 60 1HD LYS 60 -11.944 18.192 -3.774 497 2HD LYS 60 2HD LYS 60 -12.967 17.198 -4.793 498 1HE LYS 60 1HE LYS 60 -12.240 15.285 -3.032 499 2HE LYS 60 2HE LYS 60 -11.991 16.671 -1.989 500 1HZ LYS 60 1HZ LYS 60 -14.274 15.851 -1.831 501 2HZ LYS 60 2HZ LYS 60 -14.291 17.356 -2.454 502 H ASP 61 H ASP 61 -6.551 17.572 -3.431 503 HA ASP 61 HA ASP 61 -6.210 20.417 -3.959 504 1HB ASP 61 1HB ASP 61 -5.351 19.384 -1.296 505 2HB ASP 61 2HB ASP 61 -6.097 20.915 -1.705 506 HD2 ASP 61 HD ASP 61 -8.855 19.936 -2.473 507 H GLU 62 H GLU 62 -4.169 20.724 -4.860 508 HA GLU 62 HA GLU 62 -2.308 18.644 -4.920 509 1HB GLU 62 1HB GLU 62 -2.685 20.695 -6.528 510 2HB GLU 62 2HB GLU 62 -1.592 21.539 -5.450 511 1HG GLU 62 1HG GLU 62 0.007 19.501 -5.760 512 2HG GLU 62 2HG GLU 62 -1.025 19.047 -7.102 513 HE2 GLU 62 HE GLU 62 1.250 20.056 -8.587 514 H ASP 63 H ASP 63 -3.041 21.086 -2.562 515 HA ASP 63 HA ASP 63 -0.446 21.346 -1.514 516 1HB ASP 63 1HB ASP 63 -2.910 22.592 -1.148 517 2HB ASP 63 2HB ASP 63 -2.723 21.714 0.357 518 HD2 ASP 63 HD ASP 63 -1.626 23.394 1.905 519 H ALA 64 H ALA 64 -3.386 19.364 -0.794 520 HA ALA 64 HA ALA 64 -2.142 18.085 1.460 521 1HB ALA 64 1HB ALA 64 -4.590 18.602 1.295 522 2HB ALA 64 2HB ALA 64 -4.713 17.417 -0.028 523 3HB ALA 64 3HB ALA 64 -4.251 16.883 1.606 524 H VAL 65 H VAL 65 -2.210 17.723 -2.003 525 HA VAL 65 HA VAL 65 -1.780 14.899 -2.007 526 HB VAL 65 HB VAL 65 -2.571 16.802 -3.824 527 1HG1 VAL 65 1HG1 VAL 65 -0.216 17.498 -4.165 528 2HG1 VAL 65 2HG1 VAL 65 0.181 15.839 -4.677 529 3HG1 VAL 65 3HG1 VAL 65 -0.951 16.822 -5.639 530 1HG2 VAL 65 1HG2 VAL 65 -1.879 14.598 -5.385 531 2HG2 VAL 65 2HG2 VAL 65 -2.089 13.925 -3.750 532 3HG2 VAL 65 3HG2 VAL 65 -3.411 14.845 -4.511 533 H LYS 66 H LYS 66 0.247 17.877 -2.246 534 HA LYS 66 HA LYS 66 2.647 16.381 -2.585 535 1HB LYS 66 1HB LYS 66 1.801 19.113 -2.744 536 2HB LYS 66 2HB LYS 66 3.164 19.028 -1.647 537 1HG LYS 66 1HG LYS 66 4.635 18.305 -3.291 538 2HG LYS 66 2HG LYS 66 3.404 17.406 -4.157 539 1HD LYS 66 1HD LYS 66 2.452 19.483 -5.072 540 2HD LYS 66 2HD LYS 66 3.529 20.457 -4.092 541 1HE LYS 66 1HE LYS 66 5.151 18.582 -5.572 542 2HE LYS 66 2HE LYS 66 4.026 19.315 -6.698 543 1HZ LYS 66 1HZ LYS 66 5.992 20.690 -6.497 544 2HZ LYS 66 2HZ LYS 66 4.749 21.513 -5.841 545 H ALA 67 H ALA 67 1.082 18.161 0.156 546 HA ALA 67 HA ALA 67 3.103 17.486 2.001 547 1HB ALA 67 1HB ALA 67 1.525 19.397 2.221 548 2HB ALA 67 2HB ALA 67 0.189 18.244 2.457 549 3HB ALA 67 3HB ALA 67 1.504 18.339 3.652 550 H GLY 68 H GLY 68 -0.197 16.126 1.333 551 1HA GLY 68 1HA GLY 68 -0.210 14.129 3.241 552 2HA GLY 68 2HA GLY 68 -1.048 14.080 1.703 553 H ILE 69 H ILE 69 0.668 13.755 -0.276 554 HA ILE 69 HA ILE 69 1.560 11.155 -0.059 555 HB ILE 69 HB ILE 69 1.054 12.630 -2.102 556 1HG1 ILE 69 1HG1 ILE 69 3.436 10.759 -2.234 557 2HG1 ILE 69 2HG1 ILE 69 1.772 10.225 -2.092 558 1HG2 ILE 69 1HG2 ILE 69 2.620 14.007 -2.993 559 2HG2 ILE 69 2HG2 ILE 69 3.094 14.161 -1.283 560 3HG2 ILE 69 3HG2 ILE 69 3.985 13.057 -2.358 561 1HD1 ILE 69 1HD1 ILE 69 1.833 12.149 -4.214 562 2HD1 ILE 69 2HD1 ILE 69 3.202 11.040 -4.467 563 3HD1 ILE 69 3HD1 ILE 69 1.547 10.396 -4.336 564 H LYS 70 H LYS 70 3.187 14.250 0.672 565 HA LYS 70 HA LYS 70 5.781 13.202 0.846 566 1HB LYS 70 1HB LYS 70 5.635 15.518 0.619 567 2HB LYS 70 2HB LYS 70 4.399 15.675 1.851 568 1HG LYS 70 1HG LYS 70 6.004 15.167 3.628 569 2HG LYS 70 2HG LYS 70 7.242 14.748 2.460 570 1HD LYS 70 1HD LYS 70 7.746 16.949 1.990 571 2HD LYS 70 2HD LYS 70 6.079 17.473 2.119 572 1HE LYS 70 1HE LYS 70 6.181 17.488 4.553 573 2HE LYS 70 2HE LYS 70 7.737 16.679 4.553 574 1HZ LYS 70 1HZ LYS 70 7.925 19.022 2.990 575 2HZ LYS 70 2HZ LYS 70 7.280 19.426 4.430 576 H ALA 71 H ALA 71 3.004 13.295 3.083 577 HA ALA 71 HA ALA 71 4.551 12.501 5.345 578 1HB ALA 71 1HB ALA 71 2.520 13.776 5.656 579 2HB ALA 71 2HB ALA 71 1.569 12.579 4.744 580 3HB ALA 71 3HB ALA 71 2.253 12.150 6.330 581 H LEU 72 H LEU 72 2.592 10.891 2.799 582 HA LEU 72 HA LEU 72 2.745 8.340 4.052 583 1HB LEU 72 1HB LEU 72 1.173 9.478 2.146 584 2HB LEU 72 2HB LEU 72 2.240 8.505 1.153 585 HG LEU 72 HG LEU 72 1.495 6.757 3.183 586 1HD1 LEU 72 1HD1 LEU 72 -1.183 7.336 2.475 587 2HD1 LEU 72 2HD1 LEU 72 -0.429 7.387 4.087 588 3HD1 LEU 72 3HD1 LEU 72 -0.463 8.850 3.073 589 1HD2 LEU 72 1HD2 LEU 72 0.384 7.125 0.390 590 2HD2 LEU 72 2HD2 LEU 72 1.762 6.114 0.887 591 3HD2 LEU 72 3HD2 LEU 72 0.114 5.689 1.406 592 H GLN 73 H GLN 73 4.899 10.320 2.173 593 HA GLN 73 HA GLN 73 6.347 8.108 1.115 594 1HB GLN 73 1HB GLN 73 6.095 10.626 0.254 595 2HB GLN 73 2HB GLN 73 7.493 10.893 1.276 596 1HG GLN 73 1HG GLN 73 8.738 9.101 0.088 597 2HG GLN 73 2HG GLN 73 7.332 8.751 -0.898 598 1HE2 GLN 73 1HE2 GLN 73 10.195 10.378 -0.743 599 2HE2 GLN 73 2HE2 GLN 73 9.968 11.570 -1.980 600 H GLU 74 H GLU 74 6.745 10.526 3.773 601 HA GLU 74 HA GLU 74 9.254 9.520 4.537 602 1HB GLU 74 1HB GLU 74 9.070 11.032 6.416 603 2HB GLU 74 2HB GLU 74 8.391 11.841 5.017 604 1HG GLU 74 1HG GLU 74 6.095 11.221 5.745 605 2HG GLU 74 2HG GLU 74 6.748 10.344 7.115 606 HE2 GLU 74 HE GLU 74 5.865 11.693 8.612 607 H ALA 75 H ALA 75 5.887 8.683 5.253 608 HA ALA 75 HA ALA 75 6.672 7.035 7.510 609 1HB ALA 75 1HB ALA 75 4.046 7.812 6.206 610 2HB ALA 75 2HB ALA 75 4.143 6.559 7.467 611 3HB ALA 75 3HB ALA 75 4.643 8.227 7.831 612 H SER 76 H SER 76 7.068 6.771 4.269 613 HA SER 76 HA SER 76 5.824 4.457 3.529 614 1HB SER 76 1HB SER 76 7.014 5.848 1.926 615 2HB SER 76 2HB SER 76 8.541 5.594 2.748 616 HG SER 76 HG SER 76 7.308 3.197 2.014 617 H GLY 77 H GLY 77 9.330 4.702 4.496 618 1HA GLY 77 1HA GLY 77 9.828 2.021 4.825 619 2HA GLY 77 2HA GLY 77 10.645 3.313 5.681 620 H PHE 78 H PHE 78 7.838 4.150 6.801 621 HA PHE 78 HA PHE 78 8.101 2.640 9.196 622 1HB PHE 78 1HB PHE 78 6.828 5.047 8.130 623 2HB PHE 78 2HB PHE 78 5.608 4.116 8.977 624 HD1 PHE 78 HD1 PHE 78 7.870 6.668 9.378 625 HD2 PHE 78 HD2 PHE 78 6.580 3.131 11.336 626 HE1 PHE 78 HE1 PHE 78 8.692 7.581 11.566 627 HE2 PHE 78 HE2 PHE 78 7.401 4.045 13.526 628 HZ PHE 78 HZ PHE 78 8.447 6.259 13.614 629 H ILE 79 H ILE 79 5.759 2.770 6.457 630 HA ILE 79 HA ILE 79 3.956 0.946 7.666 631 HB ILE 79 HB ILE 79 2.672 1.244 5.819 632 1HG1 ILE 79 1HG1 ILE 79 5.244 1.196 4.275 633 2HG1 ILE 79 2HG1 ILE 79 3.817 0.195 4.098 634 1HG2 ILE 79 1HG2 ILE 79 3.852 3.487 6.796 635 2HG2 ILE 79 2HG2 ILE 79 4.222 3.640 5.061 636 3HG2 ILE 79 3HG2 ILE 79 2.533 3.477 5.600 637 1HD1 ILE 79 1HD1 ILE 79 4.355 2.947 3.037 638 2HD1 ILE 79 2HD1 ILE 79 3.477 1.591 2.288 639 3HD1 ILE 79 3HD1 ILE 79 2.683 2.586 3.532 640 H ARG 80 H ARG 80 6.755 0.694 5.434 641 HA ARG 80 HA ARG 80 6.316 -1.964 4.776 642 1HB ARG 80 1HB ARG 80 7.838 -0.706 3.407 643 2HB ARG 80 2HB ARG 80 8.772 -0.165 4.787 644 1HG ARG 80 1HG ARG 80 9.536 -2.522 5.186 645 2HG ARG 80 2HG ARG 80 8.618 -3.049 3.788 646 1HD ARG 80 1HD ARG 80 10.693 -2.739 2.779 647 2HD ARG 80 2HD ARG 80 10.022 -1.138 2.540 648 HE ARG 80 HE ARG 80 11.680 -0.309 3.949 649 1HH1 ARG 80 2HH2 ARG 80 11.139 -3.710 4.779 650 2HH1 ARG 80 1HH2 ARG 80 12.396 -3.749 5.970 651 1HH2 ARG 80 1HH ARG 80 13.675 -1.766 6.389 652 H SER 81 H SER 81 8.304 -0.357 7.344 653 HA SER 81 HA SER 81 9.315 -2.794 8.318 654 1HB SER 81 1HB SER 81 10.433 -0.573 8.615 655 2HB SER 81 2HB SER 81 9.133 -0.068 9.676 656 HG SER 81 HG SER 81 11.360 -1.522 10.284 657 H LEU 82 H LEU 82 6.485 -0.720 9.011 658 HA LEU 82 HA LEU 82 5.794 -1.927 11.456 659 1HB LEU 82 1HB LEU 82 5.023 0.270 10.798 660 2HB LEU 82 2HB LEU 82 4.165 -0.398 9.424 661 HG LEU 82 HG LEU 82 3.374 -1.572 12.011 662 1HD1 LEU 82 1HD1 LEU 82 3.529 0.449 13.070 663 2HD1 LEU 82 2HD1 LEU 82 3.286 1.385 11.575 664 3HD1 LEU 82 3HD1 LEU 82 1.901 0.592 12.365 665 1HD2 LEU 82 1HD2 LEU 82 2.237 -0.948 9.399 666 2HD2 LEU 82 2HD2 LEU 82 1.760 -2.174 10.599 667 3HD2 LEU 82 3HD2 LEU 82 1.151 -0.507 10.740 668 H LEU 83 H LEU 83 5.262 -2.756 8.036 669 HA LEU 83 HA LEU 83 3.240 -4.675 8.577 670 1HB LEU 83 1HB LEU 83 5.017 -4.157 6.193 671 2HB LEU 83 2HB LEU 83 3.778 -5.396 6.225 672 HG LEU 83 HG LEU 83 2.907 -2.647 6.955 673 1HD1 LEU 83 1HD1 LEU 83 3.380 -1.591 5.053 674 2HD1 LEU 83 2HD1 LEU 83 4.532 -2.907 4.721 675 3HD1 LEU 83 3HD1 LEU 83 2.881 -2.983 4.061 676 1HD2 LEU 83 1HD2 LEU 83 1.271 -4.398 6.941 677 2HD2 LEU 83 2HD2 LEU 83 0.953 -3.322 5.560 678 3HD2 LEU 83 3HD2 LEU 83 1.741 -4.896 5.299 679 H GLY 84 H GLY 84 6.712 -5.030 7.545 680 1HA GLY 84 1HA GLY 84 7.018 -7.707 7.786 681 2HA GLY 84 2HA GLY 84 8.263 -6.541 8.191 682 H LYS 85 H LYS 85 7.105 -5.273 10.471 683 HA LYS 85 HA LYS 85 7.653 -7.291 12.420 684 1HB LYS 85 1HB LYS 85 7.277 -4.339 12.370 685 2HB LYS 85 2HB LYS 85 6.903 -5.147 13.879 686 1HG LYS 85 1HG LYS 85 9.116 -6.062 14.073 687 2HG LYS 85 2HG LYS 85 9.493 -5.731 12.394 688 1HD LYS 85 1HD LYS 85 10.625 -4.034 13.663 689 2HD LYS 85 2HD LYS 85 9.250 -3.238 12.925 690 1HE LYS 85 1HE LYS 85 8.793 -2.503 15.044 691 2HE LYS 85 2HE LYS 85 8.123 -4.104 15.291 692 1HZ LYS 85 1HZ LYS 85 10.906 -3.284 15.928 693 2HZ LYS 85 2HZ LYS 85 9.738 -3.631 17.008 694 H ALA 86 H ALA 86 4.781 -5.521 11.187 695 HA ALA 86 HA ALA 86 3.000 -6.403 13.154 696 1HB ALA 86 1HB ALA 86 2.389 -4.559 11.775 697 2HB ALA 86 2HB ALA 86 2.701 -5.472 10.279 698 3HB ALA 86 3HB ALA 86 1.301 -5.885 11.298 699 H MET 87 H MET 87 4.404 -7.940 10.279 700 HA MET 87 HA MET 87 2.658 -10.222 10.788 701 1HB MET 87 1HB MET 87 4.286 -9.808 8.245 702 2HB MET 87 2HB MET 87 2.822 -10.749 8.449 703 1HG MET 87 1HG MET 87 1.860 -8.285 9.143 704 2HG MET 87 2HG MET 87 3.141 -7.792 8.053 705 1HE MET 87 1HE MET 87 1.490 -7.981 4.795 706 2HE MET 87 2HE MET 87 1.963 -6.877 6.108 707 3HE MET 87 3HE MET 87 3.119 -8.090 5.506 708 H ARG 88 H ARG 88 5.434 -9.237 11.923 709 HA ARG 88 HA ARG 88 7.540 -10.025 12.021 710 1HB ARG 88 1HB ARG 88 5.633 -12.059 13.240 711 2HB ARG 88 2HB ARG 88 7.365 -12.279 13.392 712 1HG ARG 88 1HG ARG 88 7.558 -9.996 14.418 713 2HG ARG 88 2HG ARG 88 5.822 -9.796 14.282 714 1HD ARG 88 1HD ARG 88 6.476 -12.334 15.606 715 2HD ARG 88 2HD ARG 88 7.227 -10.985 16.436 716 HE ARG 88 HE ARG 88 4.403 -11.593 16.376 717 1HH1 ARG 88 2HH2 ARG 88 6.652 -8.856 16.439 718 2HH1 ARG 88 1HH2 ARG 88 5.520 -7.783 17.193 719 1HH2 ARG 88 1HH ARG 88 3.325 -8.582 17.732 720 H LEU 89 H LEU 89 7.867 -10.335 9.605 721 HA LEU 89 HA LEU 89 7.954 -13.196 8.939 722 1HB LEU 89 1HB LEU 89 6.657 -11.109 7.622 723 2HB LEU 89 2HB LEU 89 8.114 -11.375 6.683 724 HG LEU 89 HG LEU 89 6.091 -13.517 7.400 725 1HD1 LEU 89 1HD1 LEU 89 6.531 -12.046 4.785 726 2HD1 LEU 89 2HD1 LEU 89 5.435 -13.427 5.035 727 3HD1 LEU 89 3HD1 LEU 89 5.129 -11.885 5.870 728 1HD2 LEU 89 1HD2 LEU 89 7.289 -14.966 5.900 729 2HD2 LEU 89 2HD2 LEU 89 8.421 -13.661 5.468 730 3HD2 LEU 89 3HD2 LEU 89 8.423 -14.332 7.117 731 H ARG 90 H ARG 90 9.610 -12.575 6.539 732 HA ARG 90 HA ARG 90 12.005 -11.559 7.788 733 1HB ARG 90 1HB ARG 90 13.241 -13.596 6.667 734 2HB ARG 90 2HB ARG 90 12.435 -13.848 8.202 735 1HG ARG 90 1HG ARG 90 10.386 -14.648 6.932 736 2HG ARG 90 2HG ARG 90 11.303 -14.514 5.445 737 1HD ARG 90 1HD ARG 90 12.349 -16.164 7.777 738 2HD ARG 90 2HD ARG 90 11.209 -16.846 6.634 739 HE ARG 90 HE ARG 90 13.091 -15.826 4.944 740 1HH1 ARG 90 2HH2 ARG 90 13.425 -17.816 7.855 741 2HH1 ARG 90 1HH2 ARG 90 14.884 -18.579 7.317 742 1HH2 ARG 90 1HH ARG 90 15.801 -17.984 5.184 743 H ILE 91 H ILE 91 10.334 -12.871 4.865 744 HA ILE 91 HA ILE 91 11.985 -12.299 2.860 745 HB ILE 91 HB ILE 91 9.874 -11.567 1.600 746 1HG1 ILE 91 1HG1 ILE 91 8.161 -12.685 3.693 747 2HG1 ILE 91 2HG1 ILE 91 8.893 -11.166 4.170 748 1HG2 ILE 91 1HG2 ILE 91 10.072 -13.712 1.061 749 2HG2 ILE 91 2HG2 ILE 91 10.733 -14.120 2.661 750 3HG2 ILE 91 3HG2 ILE 91 8.971 -14.087 2.409 751 1HD1 ILE 91 1HD1 ILE 91 7.950 -11.090 1.383 752 2HD1 ILE 91 2HD1 ILE 91 6.643 -11.463 2.532 753 3HD1 ILE 91 3HD1 ILE 91 7.602 -9.976 2.725 754 H VAL 92 H VAL 92 10.204 -9.904 4.851 755 HA VAL 92 HA VAL 92 10.080 -7.637 4.477 756 HB VAL 92 HB VAL 92 12.966 -8.222 5.172 757 1HG1 VAL 92 1HG1 VAL 92 11.299 -5.733 5.237 758 2HG1 VAL 92 2HG1 VAL 92 12.478 -6.002 6.543 759 3HG1 VAL 92 3HG1 VAL 92 13.024 -5.948 4.850 760 1HG2 VAL 92 1HG2 VAL 92 10.433 -8.163 6.819 761 2HG2 VAL 92 2HG2 VAL 92 11.685 -9.426 6.732 762 3HG2 VAL 92 3HG2 VAL 92 12.032 -7.883 7.549 763 HA PRO 93 HA PRO 93 11.973 -7.553 0.315 764 1HB PRO 93 1HB PRO 93 9.699 -7.519 -1.198 765 2HB PRO 93 2HB PRO 93 10.605 -8.980 -0.864 766 1HG PRO 93 1HG PRO 93 8.037 -8.084 0.296 767 2HG PRO 93 2HG PRO 93 8.735 -9.692 0.285 768 1HD PRO 93 1HD PRO 93 8.663 -7.866 2.496 769 2HD PRO 93 2HD PRO 93 9.462 -9.424 2.450 770 H GLU 94 H GLU 94 12.248 -5.793 -1.136 771 HA GLU 94 HA GLU 94 11.698 -3.390 0.174 772 1HB GLU 94 1HB GLU 94 13.311 -4.279 -1.985 773 2HB GLU 94 2HB GLU 94 12.273 -3.040 -2.667 774 1HG GLU 94 1HG GLU 94 12.997 -1.399 -1.038 775 2HG GLU 94 2HG GLU 94 13.775 -2.617 -0.049 776 HE2 GLU 94 HE GLU 94 16.408 -2.005 -0.793 777 H LEU 95 H LEU 95 9.276 -3.850 0.427 778 HA LEU 95 HA LEU 95 7.645 -3.697 -1.888 779 1HB LEU 95 1HB LEU 95 5.818 -3.452 -0.243 780 2HB LEU 95 2HB LEU 95 6.832 -4.860 0.000 781 HG LEU 95 HG LEU 95 7.964 -2.840 1.609 782 1HD1 LEU 95 1HD1 LEU 95 5.061 -2.993 2.346 783 2HD1 LEU 95 2HD1 LEU 95 6.296 -1.797 2.806 784 3HD1 LEU 95 3HD1 LEU 95 5.612 -1.782 1.163 785 1HD2 LEU 95 1HD2 LEU 95 6.967 -4.320 3.464 786 2HD2 LEU 95 2HD2 LEU 95 6.356 -5.332 2.134 787 3HD2 LEU 95 3HD2 LEU 95 8.106 -5.060 2.312 788 H THR 96 H THR 96 8.097 -1.887 -3.143 789 HA THR 96 HA THR 96 8.481 0.680 -2.015 790 HB THR 96 HB THR 96 9.276 -0.258 -4.286 791 HG1 THR 96 HG1 THR 96 8.734 1.942 -5.225 792 1HG2 THR 96 1HG2 THR 96 7.148 0.788 -5.851 793 2HG2 THR 96 2HG2 THR 96 7.657 -0.916 -5.761 794 3HG2 THR 96 3HG2 THR 96 6.369 -0.314 -4.690 795 H PHE 97 H PHE 97 7.097 2.600 -2.421 796 HA PHE 97 HA PHE 97 4.296 1.823 -2.020 797 1HB PHE 97 1HB PHE 97 6.012 3.238 -0.388 798 2HB PHE 97 2HB PHE 97 5.421 4.560 -1.375 799 HD1 PHE 97 HD1 PHE 97 2.681 2.698 -1.554 800 HD2 PHE 97 HD2 PHE 97 4.947 4.646 1.459 801 HE1 PHE 97 HE1 PHE 97 0.631 2.858 -0.113 802 HE2 PHE 97 HE2 PHE 97 2.899 4.805 2.898 803 HZ PHE 97 HZ PHE 97 0.764 3.908 2.097 804 H PHE 98 H PHE 98 3.313 1.943 -4.014 805 HA PHE 98 HA PHE 98 4.024 4.163 -5.748 806 1HB PHE 98 1HB PHE 98 3.154 1.417 -5.967 807 2HB PHE 98 2HB PHE 98 1.849 2.386 -6.620 808 HD1 PHE 98 HD1 PHE 98 2.698 4.318 -8.281 809 HD2 PHE 98 HD2 PHE 98 4.785 0.722 -7.435 810 HE1 PHE 98 HE1 PHE 98 3.938 4.527 -10.454 811 HE2 PHE 98 HE2 PHE 98 6.025 0.930 -9.608 812 HZ PHE 98 HZ PHE 98 5.586 2.830 -11.091 813 H TYR 99 H TYR 99 2.967 6.066 -5.431 814 HA TYR 99 HA TYR 99 0.244 5.954 -4.378 815 1HB TYR 99 1HB TYR 99 1.827 8.469 -5.018 816 2HB TYR 99 2HB TYR 99 0.782 8.171 -3.644 817 HD1 TYR 99 HD1 TYR 99 4.179 8.044 -4.908 818 HD2 TYR 99 HD2 TYR 99 1.619 6.761 -1.728 819 HE1 TYR 99 HE1 TYR 99 6.209 7.551 -3.462 820 HE2 TYR 99 HE2 TYR 99 3.658 6.271 -0.293 821 HH TYR 99 HH TYR 99 6.931 6.899 -1.537 822 H ASP 100 H ASP 100 -1.315 5.761 -5.922 823 HA ASP 100 HA ASP 100 -0.879 7.297 -8.358 824 1HB ASP 100 1HB ASP 100 -1.642 4.591 -7.940 825 2HB ASP 100 2HB ASP 100 -3.112 5.397 -8.448 826 HD2 ASP 100 HD ASP 100 0.249 5.748 -9.660 827 H ASN 101 H ASN 101 -1.774 9.290 -7.437 828 HA ASN 101 HA ASN 101 -4.420 9.123 -6.331 829 1HB ASN 101 1HB ASN 101 -3.079 11.766 -6.898 830 2HB ASN 101 2HB ASN 101 -4.031 11.293 -5.506 831 1HD2 ASN 101 1HD2 ASN 101 -3.006 9.257 -4.364 832 2HD2 ASN 101 2HD2 ASN 101 -1.334 9.421 -3.942 833 H SER 102 H SER 102 -5.544 11.577 -7.200 834 HA SER 102 HA SER 102 -6.102 10.905 -9.941 835 1HB SER 102 1HB SER 102 -7.541 13.237 -8.965 836 2HB SER 102 2HB SER 102 -8.173 11.683 -9.470 837 HG SER 102 HG SER 102 -8.678 11.510 -7.383 838 H LEU 103 H LEU 103 -3.622 12.463 -8.638 839 HA LEU 103 HA LEU 103 -3.828 14.921 -10.182 840 1HB LEU 103 1HB LEU 103 -3.072 14.985 -7.842 841 2HB LEU 103 2HB LEU 103 -1.715 13.955 -8.250 842 HG LEU 103 HG LEU 103 -1.494 16.067 -10.053 843 1HD1 LEU 103 1HD1 LEU 103 -2.166 17.210 -7.329 844 2HD1 LEU 103 2HD1 LEU 103 -1.647 18.106 -8.777 845 3HD1 LEU 103 3HD1 LEU 103 -3.226 17.284 -8.758 846 1HD2 LEU 103 1HD2 LEU 103 0.540 15.504 -9.304 847 2HD2 LEU 103 2HD2 LEU 103 0.252 16.740 -8.057 848 3HD2 LEU 103 3HD2 LEU 103 -0.069 15.025 -7.701 849 H VAL 104 H VAL 104 -3.191 11.767 -10.858 850 HA VAL 104 HA VAL 104 -1.289 12.546 -12.944 851 HB VAL 104 HB VAL 104 -0.951 10.576 -10.786 852 1HG1 VAL 104 1HG1 VAL 104 -1.445 9.014 -12.595 853 2HG1 VAL 104 2HG1 VAL 104 -0.259 9.824 -13.647 854 3HG1 VAL 104 3HG1 VAL 104 0.287 8.960 -12.189 855 1HG2 VAL 104 1HG2 VAL 104 1.451 11.023 -12.188 856 2HG2 VAL 104 2HG2 VAL 104 0.572 12.569 -12.226 857 3HG2 VAL 104 3HG2 VAL 104 0.922 11.782 -10.668 858 H GLU 105 H GLU 105 -4.349 11.655 -12.227 859 HA GLU 105 HA GLU 105 -4.625 10.391 -14.793 860 1HB GLU 105 1HB GLU 105 -5.493 9.065 -12.193 861 2HB GLU 105 2HB GLU 105 -6.176 8.622 -13.746 862 1HG GLU 105 1HG GLU 105 -3.542 8.483 -14.406 863 2HG GLU 105 2HG GLU 105 -3.399 8.164 -12.688 864 HE2 GLU 105 HE GLU 105 -3.722 4.989 -13.933 865 H GLY 106 H GLY 106 -6.080 11.736 -11.793 866 1HA GLY 106 1HA GLY 106 -7.671 13.386 -11.695 867 2HA GLY 106 2HA GLY 106 -8.010 13.191 -13.404 868 H MET 107 H MET 107 -8.034 10.072 -12.702 869 HA MET 107 HA MET 107 -10.760 10.132 -11.659 870 1HB MET 107 1HB MET 107 -11.397 8.502 -13.285 871 2HB MET 107 2HB MET 107 -10.329 9.553 -14.194 872 1HG MET 107 1HG MET 107 -8.544 7.716 -13.072 873 2HG MET 107 2HG MET 107 -9.951 6.722 -13.400 874 1HE MET 107 1HE MET 107 -7.999 9.609 -16.245 875 2HE MET 107 2HE MET 107 -7.781 9.439 -14.486 876 3HE MET 107 3HE MET 107 -6.806 8.454 -15.602 877 H ARG 108 H ARG 108 -8.279 9.853 -10.111 878 HA ARG 108 HA ARG 108 -8.521 7.048 -9.372 879 1HB ARG 108 1HB ARG 108 -6.212 8.811 -9.743 880 2HB ARG 108 2HB ARG 108 -6.219 8.173 -8.112 881 1HG ARG 108 1HG ARG 108 -5.157 6.392 -9.115 882 2HG ARG 108 2HG ARG 108 -6.800 5.878 -9.437 883 1HD ARG 108 1HD ARG 108 -6.610 7.253 -11.650 884 2HD ARG 108 2HD ARG 108 -4.887 7.297 -11.335 885 HE ARG 108 HE ARG 108 -4.740 5.020 -11.884 886 1HH1 ARG 108 2HH2 ARG 108 -8.141 5.867 -11.363 887 2HH1 ARG 108 1HH2 ARG 108 -8.736 4.346 -11.936 888 1HH2 ARG 108 1HH ARG 108 -7.182 2.682 -12.681 Start of MODEL 11 1 H MET 1 H MET 1 -13.691 -9.054 -0.727 2 HA MET 1 HA MET 1 -12.155 -9.104 -2.452 3 1HB MET 1 1HB MET 1 -11.208 -7.572 0.013 4 2HB MET 1 2HB MET 1 -10.306 -7.457 -1.487 5 1HG MET 1 1HG MET 1 -11.853 -6.065 -2.425 6 2HG MET 1 2HG MET 1 -13.182 -7.113 -1.969 7 1HE MET 1 1HE MET 1 -11.483 -3.560 0.355 8 2HE MET 1 2HE MET 1 -10.466 -4.771 -0.462 9 3HE MET 1 3HE MET 1 -11.565 -3.744 -1.413 10 H ALA 2 H ALA 2 -11.789 -11.650 -1.192 11 HA ALA 2 HA ALA 2 -8.856 -11.831 -1.290 12 1HB ALA 2 1HB ALA 2 -8.815 -13.215 0.559 13 2HB ALA 2 2HB ALA 2 -10.194 -12.177 0.993 14 3HB ALA 2 3HB ALA 2 -10.480 -13.792 0.302 15 H LYS 3 H LYS 3 -8.330 -14.375 -1.643 16 HA LYS 3 HA LYS 3 -10.251 -15.542 -3.475 17 1HB LYS 3 1HB LYS 3 -8.613 -13.913 -4.695 18 2HB LYS 3 2HB LYS 3 -7.425 -15.177 -4.451 19 1HG LYS 3 1HG LYS 3 -8.961 -16.823 -5.564 20 2HG LYS 3 2HG LYS 3 -10.128 -15.543 -5.829 21 1HD LYS 3 1HD LYS 3 -8.957 -14.664 -7.592 22 2HD LYS 3 2HD LYS 3 -7.412 -14.845 -6.785 23 1HE LYS 3 1HE LYS 3 -7.027 -16.944 -7.679 24 2HE LYS 3 2HE LYS 3 -8.715 -17.407 -7.603 25 1HZ LYS 3 1HZ LYS 3 -9.124 -15.941 -9.533 26 2HZ LYS 3 2HZ LYS 3 -7.540 -15.568 -9.619 27 H GLU 4 H GLU 4 -10.499 -17.147 -1.843 28 HA GLU 4 HA GLU 4 -8.277 -18.426 -0.728 29 1HB GLU 4 1HB GLU 4 -9.975 -20.105 0.057 30 2HB GLU 4 2HB GLU 4 -10.414 -18.447 0.425 31 1HG GLU 4 1HG GLU 4 -11.511 -18.859 -2.132 32 2HG GLU 4 2HG GLU 4 -11.767 -20.397 -1.330 33 HE2 GLU 4 HE GLU 4 -13.724 -20.351 -0.409 34 H PHE 5 H PHE 5 -6.884 -19.015 -2.503 35 HA PHE 5 HA PHE 5 -7.742 -21.490 -3.766 36 1HB PHE 5 1HB PHE 5 -8.109 -19.311 -5.211 37 2HB PHE 5 2HB PHE 5 -6.360 -19.190 -5.256 38 HD1 PHE 5 HD1 PHE 5 -7.450 -19.269 -7.787 39 HD2 PHE 5 HD2 PHE 5 -6.853 -22.571 -5.189 40 HE1 PHE 5 HE1 PHE 5 -7.393 -20.815 -9.765 41 HE2 PHE 5 HE2 PHE 5 -6.798 -24.117 -7.167 42 HZ PHE 5 HZ PHE 5 -7.069 -23.220 -9.429 43 H GLY 6 H GLY 6 -6.180 -22.999 -3.442 44 1HA GLY 6 1HA GLY 6 -3.893 -22.760 -2.088 45 2HA GLY 6 2HA GLY 6 -4.095 -23.901 -3.403 46 H ARG 7 H ARG 7 -4.459 -21.623 -5.412 47 HA ARG 7 HA ARG 7 -1.864 -21.532 -6.274 48 1HB ARG 7 1HB ARG 7 -4.437 -20.482 -7.089 49 2HB ARG 7 2HB ARG 7 -3.255 -19.197 -7.253 50 1HG ARG 7 1HG ARG 7 -1.812 -21.235 -8.339 51 2HG ARG 7 2HG ARG 7 -3.423 -21.824 -8.698 52 1HD ARG 7 1HD ARG 7 -3.744 -20.257 -10.327 53 2HD ARG 7 2HD ARG 7 -3.186 -18.954 -9.297 54 HE ARG 7 HE ARG 7 -1.064 -19.125 -10.268 55 1HH1 ARG 7 2HH2 ARG 7 -2.869 -22.096 -10.956 56 2HH1 ARG 7 1HH2 ARG 7 -1.665 -22.726 -12.028 57 1HH2 ARG 7 1HH ARG 7 0.322 -21.452 -12.443 58 HA PRO 8 HA PRO 8 -0.146 -17.957 -4.424 59 1HB PRO 8 1HB PRO 8 0.854 -16.386 -6.424 60 2HB PRO 8 2HB PRO 8 1.656 -17.835 -5.853 61 1HG PRO 8 1HG PRO 8 0.127 -17.424 -8.351 62 2HG PRO 8 2HG PRO 8 1.272 -18.691 -7.961 63 1HD PRO 8 1HD PRO 8 -1.587 -18.914 -8.004 64 2HD PRO 8 2HD PRO 8 -0.447 -20.147 -7.503 65 H GLN 9 H GLN 9 -2.986 -17.699 -5.872 66 HA GLN 9 HA GLN 9 -3.202 -14.869 -5.842 67 1HB GLN 9 1HB GLN 9 -4.699 -17.064 -6.871 68 2HB GLN 9 2HB GLN 9 -5.768 -16.236 -5.757 69 1HG GLN 9 1HG GLN 9 -5.928 -15.300 -8.065 70 2HG GLN 9 2HG GLN 9 -5.403 -14.093 -6.908 71 1HE2 GLN 9 1HE2 GLN 9 -3.459 -13.152 -7.081 72 2HE2 GLN 9 2HE2 GLN 9 -2.301 -13.462 -8.333 73 H ARG 10 H ARG 10 -3.977 -17.597 -3.651 74 HA ARG 10 HA ARG 10 -5.609 -16.242 -1.921 75 1HB ARG 10 1HB ARG 10 -5.077 -18.748 -1.972 76 2HB ARG 10 2HB ARG 10 -3.566 -18.389 -1.160 77 1HG ARG 10 1HG ARG 10 -6.182 -17.397 0.014 78 2HG ARG 10 2HG ARG 10 -5.689 -19.060 0.267 79 1HD ARG 10 1HD ARG 10 -3.363 -17.515 0.806 80 2HD ARG 10 2HD ARG 10 -4.679 -16.625 1.545 81 HE ARG 10 HE ARG 10 -5.184 -19.233 2.323 82 1HH1 ARG 10 2HH2 ARG 10 -2.342 -17.131 2.559 83 2HH1 ARG 10 1HH2 ARG 10 -1.750 -17.884 4.002 84 1HH2 ARG 10 1HH ARG 10 -2.979 -19.702 4.964 85 H VAL 11 H VAL 11 -2.056 -16.971 -1.514 86 HA VAL 11 HA VAL 11 -1.680 -15.375 0.712 87 HB VAL 11 HB VAL 11 0.013 -16.576 -1.417 88 1HG1 VAL 11 1HG1 VAL 11 1.993 -15.521 0.041 89 2HG1 VAL 11 2HG1 VAL 11 1.339 -14.716 -1.407 90 3HG1 VAL 11 3HG1 VAL 11 0.806 -14.205 0.213 91 1HG2 VAL 11 1HG2 VAL 11 0.004 -18.129 0.200 92 2HG2 VAL 11 2HG2 VAL 11 1.133 -17.064 1.071 93 3HG2 VAL 11 3HG2 VAL 11 -0.612 -16.983 1.415 94 H ALA 12 H ALA 12 -1.492 -14.599 -2.807 95 HA ALA 12 HA ALA 12 -0.497 -12.021 -2.536 96 1HB ALA 12 1HB ALA 12 -0.492 -12.997 -4.688 97 2HB ALA 12 2HB ALA 12 -2.214 -13.441 -4.590 98 3HB ALA 12 3HB ALA 12 -1.744 -11.736 -4.792 99 H GLN 13 H GLN 13 -3.781 -13.377 -2.137 100 HA GLN 13 HA GLN 13 -4.989 -10.814 -2.077 101 1HB GLN 13 1HB GLN 13 -5.895 -13.646 -1.542 102 2HB GLN 13 2HB GLN 13 -6.918 -12.317 -1.035 103 1HG GLN 13 1HG GLN 13 -5.961 -12.942 -3.859 104 2HG GLN 13 2HG GLN 13 -7.612 -12.946 -3.270 105 1HE2 GLN 13 1HE2 GLN 13 -4.941 -11.060 -4.378 106 2HE2 GLN 13 2HE2 GLN 13 -5.725 -9.519 -4.477 107 H GLU 14 H GLU 14 -4.878 -13.397 0.486 108 HA GLU 14 HA GLU 14 -5.589 -11.963 2.586 109 1HB GLU 14 1HB GLU 14 -4.007 -14.360 2.138 110 2HB GLU 14 2HB GLU 14 -3.368 -13.493 3.519 111 1HG GLU 14 1HG GLU 14 -6.084 -13.305 3.999 112 2HG GLU 14 2HG GLU 14 -5.996 -14.859 3.191 113 HE2 GLU 14 HE GLU 14 -5.347 -13.321 6.162 114 H MET 15 H MET 15 -2.505 -11.706 0.841 115 HA MET 15 HA MET 15 -1.302 -10.134 2.893 116 1HB MET 15 1HB MET 15 -0.592 -10.960 0.042 117 2HB MET 15 2HB MET 15 0.382 -9.761 0.867 118 1HG MET 15 1HG MET 15 0.627 -11.442 2.800 119 2HG MET 15 2HG MET 15 -0.130 -12.634 1.764 120 1HE MET 15 1HE MET 15 4.032 -10.784 1.346 121 2HE MET 15 2HE MET 15 2.578 -9.871 1.818 122 3HE MET 15 3HE MET 15 3.190 -11.176 2.863 123 H GLN 16 H GLN 16 -2.799 -9.579 -0.350 124 HA GLN 16 HA GLN 16 -2.198 -6.873 -0.457 125 1HB GLN 16 1HB GLN 16 -2.908 -8.262 -2.404 126 2HB GLN 16 2HB GLN 16 -4.522 -8.385 -1.730 127 1HG GLN 16 1HG GLN 16 -3.630 -5.585 -1.857 128 2HG GLN 16 2HG GLN 16 -3.559 -6.348 -3.434 129 1HE2 GLN 16 1HE2 GLN 16 -5.245 -4.705 -3.820 130 2HE2 GLN 16 2HE2 GLN 16 -6.901 -5.116 -3.525 131 H LYS 17 H LYS 17 -4.898 -8.716 1.013 132 HA LYS 17 HA LYS 17 -6.396 -6.345 1.599 133 1HB LYS 17 1HB LYS 17 -7.908 -7.887 2.754 134 2HB LYS 17 2HB LYS 17 -7.540 -8.437 1.130 135 1HG LYS 17 1HG LYS 17 -6.254 -10.240 1.872 136 2HG LYS 17 2HG LYS 17 -5.754 -9.426 3.343 137 1HD LYS 17 1HD LYS 17 -8.631 -9.745 3.414 138 2HD LYS 17 2HD LYS 17 -7.919 -11.289 2.993 139 1HE LYS 17 1HE LYS 17 -6.478 -11.242 4.977 140 2HE LYS 17 2HE LYS 17 -6.959 -9.598 5.348 141 1HZ LYS 17 1HZ LYS 17 -8.371 -12.041 5.900 142 2HZ LYS 17 2HZ LYS 17 -8.541 -10.580 6.601 143 H GLU 18 H GLU 18 -4.066 -8.503 3.255 144 HA GLU 18 HA GLU 18 -4.496 -7.421 5.792 145 1HB GLU 18 1HB GLU 18 -3.426 -9.594 5.506 146 2HB GLU 18 2HB GLU 18 -2.116 -8.888 4.580 147 1HG GLU 18 1HG GLU 18 -1.073 -8.955 6.644 148 2HG GLU 18 2HG GLU 18 -1.827 -7.378 6.787 149 HE2 GLU 18 HE GLU 18 -2.720 -9.954 9.484 150 H ILE 19 H ILE 19 -1.930 -6.818 3.288 151 HA ILE 19 HA ILE 19 -0.675 -4.779 4.757 152 HB ILE 19 HB ILE 19 0.638 -4.442 2.862 153 1HG1 ILE 19 1HG1 ILE 19 -1.696 -5.498 1.255 154 2HG1 ILE 19 2HG1 ILE 19 -0.976 -3.901 1.196 155 1HG2 ILE 19 1HG2 ILE 19 -0.039 -7.113 3.667 156 2HG2 ILE 19 2HG2 ILE 19 0.380 -7.103 1.936 157 3HG2 ILE 19 3HG2 ILE 19 1.526 -6.455 3.135 158 1HD1 ILE 19 1HD1 ILE 19 -0.222 -6.283 -0.274 159 2HD1 ILE 19 2HD1 ILE 19 0.393 -4.623 -0.453 160 3HD1 ILE 19 3HD1 ILE 19 1.155 -5.734 0.710 161 H ALA 20 H ALA 20 -3.294 -4.804 2.286 162 HA ALA 20 HA ALA 20 -3.460 -2.066 1.901 163 1HB ALA 20 1HB ALA 20 -5.888 -2.660 1.313 164 2HB ALA 20 2HB ALA 20 -4.615 -3.532 0.424 165 3HB ALA 20 3HB ALA 20 -5.474 -4.331 1.763 166 H LEU 21 H LEU 21 -4.757 -4.194 4.483 167 HA LEU 21 HA LEU 21 -6.423 -2.243 5.634 168 1HB LEU 21 1HB LEU 21 -6.869 -4.489 6.113 169 2HB LEU 21 2HB LEU 21 -5.212 -4.827 6.571 170 HG LEU 21 HG LEU 21 -6.261 -2.796 8.318 171 1HD1 LEU 21 1HD1 LEU 21 -8.368 -4.264 7.421 172 2HD1 LEU 21 2HD1 LEU 21 -7.856 -5.225 8.831 173 3HD1 LEU 21 3HD1 LEU 21 -8.271 -3.505 9.027 174 1HD2 LEU 21 1HD2 LEU 21 -5.812 -4.654 10.020 175 2HD2 LEU 21 2HD2 LEU 21 -5.245 -5.620 8.636 176 3HD2 LEU 21 3HD2 LEU 21 -4.440 -4.084 9.040 177 H ILE 22 H ILE 22 -3.135 -3.454 6.614 178 HA ILE 22 HA ILE 22 -2.774 -1.537 8.600 179 HB ILE 22 HB ILE 22 -0.748 -3.050 6.949 180 1HG1 ILE 22 1HG1 ILE 22 -1.881 -3.730 9.676 181 2HG1 ILE 22 2HG1 ILE 22 -2.474 -4.416 8.177 182 1HG2 ILE 22 1HG2 ILE 22 -0.382 -1.736 9.653 183 2HG2 ILE 22 2HG2 ILE 22 0.842 -2.604 8.697 184 3HG2 ILE 22 3HG2 ILE 22 0.185 -1.058 8.109 185 1HD1 ILE 22 1HD1 ILE 22 0.316 -4.692 9.366 186 2HD1 ILE 22 2HD1 ILE 22 -0.864 -5.982 9.032 187 3HD1 ILE 22 3HD1 ILE 22 -0.056 -5.143 7.684 188 H LEU 23 H LEU 23 -2.677 -1.327 5.108 189 HA LEU 23 HA LEU 23 -1.090 1.090 5.157 190 1HB LEU 23 1HB LEU 23 -0.998 -0.760 3.399 191 2HB LEU 23 2HB LEU 23 -2.522 -0.131 2.806 192 HG LEU 23 HG LEU 23 -1.506 2.015 2.294 193 1HD1 LEU 23 1HD1 LEU 23 0.930 0.848 3.641 194 2HD1 LEU 23 2HD1 LEU 23 1.035 2.206 2.494 195 3HD1 LEU 23 3HD1 LEU 23 0.081 2.373 3.987 196 1HD2 LEU 23 1HD2 LEU 23 -0.032 1.342 0.484 197 2HD2 LEU 23 2HD2 LEU 23 0.189 -0.260 1.227 198 3HD2 LEU 23 3HD2 LEU 23 -1.410 0.224 0.612 199 H GLN 24 H GLN 24 -4.380 0.120 5.564 200 HA GLN 24 HA GLN 24 -5.228 2.823 4.870 201 1HB GLN 24 1HB GLN 24 -6.459 0.157 4.517 202 2HB GLN 24 2HB GLN 24 -7.554 1.329 5.222 203 1HG GLN 24 1HG GLN 24 -7.804 2.396 3.236 204 2HG GLN 24 2HG GLN 24 -6.071 2.591 3.062 205 1HE2 GLN 24 1HE2 GLN 24 -8.813 0.473 2.513 206 2HE2 GLN 24 2HE2 GLN 24 -8.119 -0.503 1.262 207 H ARG 25 H ARG 25 -4.347 0.834 7.447 208 HA ARG 25 HA ARG 25 -6.182 2.236 9.219 209 1HB ARG 25 1HB ARG 25 -5.818 -0.483 9.031 210 2HB ARG 25 2HB ARG 25 -4.622 -0.105 10.257 211 1HG ARG 25 1HG ARG 25 -6.906 1.389 11.013 212 2HG ARG 25 2HG ARG 25 -7.550 -0.150 10.473 213 1HD ARG 25 1HD ARG 25 -7.087 -0.574 12.748 214 2HD ARG 25 2HD ARG 25 -5.663 -1.222 11.958 215 HE ARG 25 HE ARG 25 -4.374 0.479 12.926 216 1HH1 ARG 25 2HH2 ARG 25 -7.797 1.364 13.156 217 2HH1 ARG 25 1HH2 ARG 25 -7.501 2.739 14.168 218 1HH2 ARG 25 1HH ARG 25 -5.252 3.267 14.802 219 H GLU 26 H GLU 26 -2.828 0.823 9.041 220 HA GLU 26 HA GLU 26 -1.915 2.382 11.192 221 1HB GLU 26 1HB GLU 26 -0.090 1.041 11.034 222 2HB GLU 26 2HB GLU 26 -0.994 0.163 9.817 223 1HG GLU 26 1HG GLU 26 1.015 0.647 8.688 224 2HG GLU 26 2HG GLU 26 -0.040 1.930 8.128 225 HE2 GLU 26 HE GLU 26 1.388 3.832 10.960 226 H ILE 27 H ILE 27 -2.539 3.050 7.855 227 HA ILE 27 HA ILE 27 -0.599 5.216 7.768 228 HB ILE 27 HB ILE 27 -1.698 3.456 5.882 229 1HG1 ILE 27 1HG1 ILE 27 0.236 5.745 5.875 230 2HG1 ILE 27 2HG1 ILE 27 0.525 4.035 5.621 231 1HG2 ILE 27 1HG2 ILE 27 -2.762 4.796 4.237 232 2HG2 ILE 27 2HG2 ILE 27 -3.606 5.105 5.773 233 3HG2 ILE 27 3HG2 ILE 27 -2.440 6.294 5.146 234 1HD1 ILE 27 1HD1 ILE 27 -0.876 4.279 3.450 235 2HD1 ILE 27 2HD1 ILE 27 -0.694 6.033 3.683 236 3HD1 ILE 27 3HD1 ILE 27 0.745 5.011 3.458 237 H LYS 28 H LYS 28 -1.672 7.293 6.572 238 HA LYS 28 HA LYS 28 -3.861 8.035 8.365 239 1HB LYS 28 1HB LYS 28 -3.167 10.365 7.833 240 2HB LYS 28 2HB LYS 28 -1.925 9.419 8.630 241 1HG LYS 28 1HG LYS 28 -1.715 9.085 5.740 242 2HG LYS 28 2HG LYS 28 -1.729 10.791 6.136 243 1HD LYS 28 1HD LYS 28 0.553 10.302 6.340 244 2HD LYS 28 2HD LYS 28 0.021 10.122 8.001 245 1HE LYS 28 1HE LYS 28 -0.135 7.682 7.752 246 2HE LYS 28 2HE LYS 28 0.185 7.792 6.032 247 1HZ LYS 28 1HZ LYS 28 2.372 8.895 6.748 248 2HZ LYS 28 2HZ LYS 28 2.071 8.330 8.245 249 H ASP 29 H ASP 29 -5.269 6.655 6.895 250 HA ASP 29 HA ASP 29 -5.700 7.763 4.300 251 1HB ASP 29 1HB ASP 29 -6.292 5.579 4.049 252 2HB ASP 29 2HB ASP 29 -6.415 5.341 5.780 253 HD2 ASP 29 HD ASP 29 -8.255 4.671 3.382 254 HA PRO 30 HA PRO 30 -9.700 8.929 6.649 255 1HB PRO 30 1HB PRO 30 -9.822 8.589 9.358 256 2HB PRO 30 2HB PRO 30 -10.452 7.419 8.216 257 1HG PRO 30 1HG PRO 30 -7.981 7.287 9.832 258 2HG PRO 30 2HG PRO 30 -8.838 5.986 9.029 259 1HD PRO 30 1HD PRO 30 -6.419 7.251 8.145 260 2HD PRO 30 2HD PRO 30 -7.340 6.031 7.286 261 H ARG 31 H ARG 31 -6.706 9.482 8.322 262 HA ARG 31 HA ARG 31 -7.504 11.928 9.397 263 1HB ARG 31 1HB ARG 31 -5.592 10.936 10.405 264 2HB ARG 31 2HB ARG 31 -4.841 10.577 8.863 265 1HG ARG 31 1HG ARG 31 -5.333 13.474 9.540 266 2HG ARG 31 2HG ARG 31 -4.037 12.649 10.385 267 1HD ARG 31 1HD ARG 31 -2.794 12.274 8.412 268 2HD ARG 31 2HD ARG 31 -4.207 12.361 7.378 269 HE ARG 31 HE ARG 31 -4.137 14.903 8.356 270 1HH1 ARG 31 2HH2 ARG 31 -1.563 12.878 7.006 271 2HH1 ARG 31 1HH2 ARG 31 -0.653 14.223 6.401 272 1HH2 ARG 31 1HH ARG 31 -1.480 16.446 6.738 273 H LEU 32 H LEU 32 -6.558 10.886 6.197 274 HA LEU 32 HA LEU 32 -5.616 13.453 5.335 275 1HB LEU 32 1HB LEU 32 -5.641 10.752 4.372 276 2HB LEU 32 2HB LEU 32 -6.315 11.802 3.142 277 HG LEU 32 HG LEU 32 -4.297 13.205 3.204 278 1HD1 LEU 32 1HD1 LEU 32 -3.321 13.177 5.260 279 2HD1 LEU 32 2HD1 LEU 32 -3.618 11.441 5.510 280 3HD1 LEU 32 3HD1 LEU 32 -2.293 11.974 4.447 281 1HD2 LEU 32 1HD2 LEU 32 -3.870 10.244 2.745 282 2HD2 LEU 32 2HD2 LEU 32 -4.326 11.488 1.556 283 3HD2 LEU 32 3HD2 LEU 32 -2.697 11.499 2.275 284 H GLY 33 H GLY 33 -8.690 11.763 5.647 285 1HA GLY 33 1HA GLY 33 -10.716 12.925 5.642 286 2HA GLY 33 2HA GLY 33 -10.034 14.145 4.587 287 H MET 34 H MET 34 -9.103 10.952 3.647 288 HA MET 34 HA MET 34 -11.343 10.844 1.783 289 1HB MET 34 1HB MET 34 -8.442 10.115 1.116 290 2HB MET 34 2HB MET 34 -9.774 10.245 -0.015 291 1HG MET 34 1HG MET 34 -9.787 12.600 0.046 292 2HG MET 34 2HG MET 34 -9.078 12.671 1.647 293 1HE MET 34 1HE MET 34 -7.392 13.879 1.770 294 2HE MET 34 2HE MET 34 -5.781 13.681 1.038 295 3HE MET 34 3HE MET 34 -7.020 14.657 0.213 296 H MET 35 H MET 35 -10.533 8.458 0.432 297 HA MET 35 HA MET 35 -10.269 6.553 2.609 298 1HB MET 35 1HB MET 35 -12.696 7.133 1.273 299 2HB MET 35 2HB MET 35 -12.123 5.689 0.463 300 1HG MET 35 1HG MET 35 -11.787 4.636 2.780 301 2HG MET 35 2HG MET 35 -12.599 6.031 3.461 302 1HE MET 35 1HE MET 35 -12.923 2.668 2.696 303 2HE MET 35 2HE MET 35 -14.471 2.344 1.880 304 3HE MET 35 3HE MET 35 -13.076 2.926 0.941 305 H THR 36 H THR 36 -8.032 6.430 1.748 306 HA THR 36 HA THR 36 -7.266 5.920 -0.800 307 HB THR 36 HB THR 36 -5.349 4.697 0.314 308 HG1 THR 36 HG1 THR 36 -7.107 3.835 1.914 309 1HG2 THR 36 1HG2 THR 36 -4.510 6.598 1.342 310 2HG2 THR 36 2HG2 THR 36 -5.947 7.364 0.622 311 3HG2 THR 36 3HG2 THR 36 -5.978 6.830 2.319 312 H THR 37 H THR 37 -6.713 3.985 -2.010 313 HA THR 37 HA THR 37 -8.265 1.625 -1.241 314 HB THR 37 HB THR 37 -8.620 3.396 -3.673 315 HG1 THR 37 HG1 THR 37 -10.056 3.206 -1.710 316 1HG2 THR 37 1HG2 THR 37 -9.755 1.533 -4.842 317 2HG2 THR 37 2HG2 THR 37 -8.045 1.110 -4.586 318 3HG2 THR 37 3HG2 THR 37 -9.300 0.412 -3.536 319 H VAL 38 H VAL 38 -7.646 -0.327 -2.506 320 HA VAL 38 HA VAL 38 -4.850 -0.088 -3.380 321 HB VAL 38 HB VAL 38 -4.905 -1.108 -1.214 322 1HG1 VAL 38 1HG1 VAL 38 -6.779 -2.125 -0.541 323 2HG1 VAL 38 2HG1 VAL 38 -7.344 -2.344 -2.215 324 3HG1 VAL 38 3HG1 VAL 38 -6.251 -3.541 -1.481 325 1HG2 VAL 38 1HG2 VAL 38 -4.289 -2.801 -3.594 326 2HG2 VAL 38 2HG2 VAL 38 -3.218 -2.190 -2.311 327 3HG2 VAL 38 3HG2 VAL 38 -4.272 -3.589 -1.998 328 H SER 39 H SER 39 -5.941 0.306 -5.522 329 HA SER 39 HA SER 39 -7.664 -1.305 -6.754 330 1HB SER 39 1HB SER 39 -6.435 0.774 -7.642 331 2HB SER 39 2HB SER 39 -5.135 -0.300 -8.123 332 HG SER 39 HG SER 39 -6.255 -0.723 -9.886 333 H GLY 40 H GLY 40 -4.081 -1.824 -6.498 334 1HA GLY 40 1HA GLY 40 -4.493 -4.694 -6.696 335 2HA GLY 40 2HA GLY 40 -3.596 -3.964 -8.013 336 H VAL 41 H VAL 41 -2.235 -5.812 -6.548 337 HA VAL 41 HA VAL 41 -0.194 -4.182 -5.335 338 HB VAL 41 HB VAL 41 -1.609 -6.339 -3.754 339 1HG1 VAL 41 1HG1 VAL 41 1.036 -5.725 -3.601 340 2HG1 VAL 41 2HG1 VAL 41 0.360 -4.557 -2.440 341 3HG1 VAL 41 3HG1 VAL 41 0.062 -6.299 -2.228 342 1HG2 VAL 41 1HG2 VAL 41 -2.109 -4.413 -2.187 343 2HG2 VAL 41 2HG2 VAL 41 -1.596 -3.319 -3.495 344 3HG2 VAL 41 3HG2 VAL 41 -2.993 -4.398 -3.732 345 H GLU 42 H GLU 42 1.782 -4.990 -5.887 346 HA GLU 42 HA GLU 42 1.751 -7.715 -6.930 347 1HB GLU 42 1HB GLU 42 3.518 -5.357 -7.722 348 2HB GLU 42 2HB GLU 42 3.695 -6.983 -8.351 349 1HG GLU 42 1HG GLU 42 0.997 -5.614 -8.524 350 2HG GLU 42 2HG GLU 42 2.251 -5.188 -9.673 351 HE2 GLU 42 HE GLU 42 3.153 -7.402 -10.852 352 H MET 43 H MET 43 2.674 -9.118 -5.500 353 HA MET 43 HA MET 43 4.879 -8.065 -3.909 354 1HB MET 43 1HB MET 43 3.524 -10.662 -3.199 355 2HB MET 43 2HB MET 43 4.112 -9.403 -2.133 356 1HG MET 43 1HG MET 43 1.859 -8.962 -1.892 357 2HG MET 43 2HG MET 43 2.115 -8.007 -3.339 358 1HE MET 43 1HE MET 43 -1.330 -9.658 -4.078 359 2HE MET 43 2HE MET 43 -0.711 -9.052 -2.523 360 3HE MET 43 3HE MET 43 -0.396 -8.144 -4.022 361 H SER 44 H SER 44 6.788 -8.590 -4.919 362 HA SER 44 HA SER 44 6.943 -11.274 -6.036 363 1HB SER 44 1HB SER 44 8.222 -8.644 -6.736 364 2HB SER 44 2HB SER 44 9.160 -10.096 -7.028 365 HG SER 44 HG SER 44 6.448 -9.740 -7.975 366 H ARG 45 H ARG 45 7.799 -12.676 -4.531 367 HA ARG 45 HA ARG 45 9.791 -11.605 -2.733 368 1HB ARG 45 1HB ARG 45 7.781 -13.773 -2.635 369 2HB ARG 45 2HB ARG 45 9.341 -14.293 -2.032 370 1HG ARG 45 1HG ARG 45 9.030 -13.149 -0.101 371 2HG ARG 45 2HG ARG 45 8.806 -11.650 -0.981 372 1HD ARG 45 1HD ARG 45 6.619 -11.682 -0.370 373 2HD ARG 45 2HD ARG 45 6.396 -13.085 -1.395 374 HE ARG 45 HE ARG 45 7.516 -13.708 1.252 375 1HH1 ARG 45 2HH2 ARG 45 4.547 -13.332 -0.645 376 2HH1 ARG 45 1HH2 ARG 45 3.591 -14.298 0.429 377 1HH2 ARG 45 1HH ARG 45 4.616 -15.259 2.369 378 H ASP 46 H ASP 46 9.745 -12.908 -5.768 379 HA ASP 46 HA ASP 46 11.312 -15.083 -5.819 380 1HB ASP 46 1HB ASP 46 10.654 -12.880 -7.616 381 2HB ASP 46 2HB ASP 46 12.316 -13.371 -7.873 382 HD2 ASP 46 HD ASP 46 11.500 -14.769 -10.136 383 H LEU 47 H LEU 47 12.112 -11.800 -4.832 384 HA LEU 47 HA LEU 47 14.826 -12.655 -4.255 385 1HB LEU 47 1HB LEU 47 14.164 -10.930 -6.441 386 2HB LEU 47 2HB LEU 47 15.016 -9.998 -5.226 387 HG LEU 47 HG LEU 47 16.485 -12.380 -5.460 388 1HD1 LEU 47 1HD1 LEU 47 16.996 -12.510 -7.864 389 2HD1 LEU 47 2HD1 LEU 47 15.305 -12.943 -7.510 390 3HD1 LEU 47 3HD1 LEU 47 15.691 -11.346 -8.196 391 1HD2 LEU 47 1HD2 LEU 47 17.040 -9.782 -5.247 392 2HD2 LEU 47 2HD2 LEU 47 18.234 -10.974 -5.814 393 3HD2 LEU 47 3HD2 LEU 47 17.347 -9.975 -6.990 394 H ALA 48 H ALA 48 12.669 -9.725 -4.220 395 HA ALA 48 HA ALA 48 12.024 -9.671 -1.618 396 1HB ALA 48 1HB ALA 48 14.898 -9.138 -1.965 397 2HB ALA 48 2HB ALA 48 14.047 -7.851 -1.074 398 3HB ALA 48 3HB ALA 48 13.979 -9.533 -0.493 399 H TYR 49 H TYR 49 10.309 -8.753 -2.976 400 HA TYR 49 HA TYR 49 10.472 -5.887 -2.990 401 1HB TYR 49 1HB TYR 49 9.897 -7.482 -5.557 402 2HB TYR 49 2HB TYR 49 10.058 -5.741 -5.439 403 HD1 TYR 49 HD1 TYR 49 11.738 -8.778 -6.190 404 HD2 TYR 49 HD2 TYR 49 12.394 -4.841 -4.648 405 HE1 TYR 49 HE1 TYR 49 14.212 -8.961 -6.753 406 HE2 TYR 49 HE2 TYR 49 14.864 -5.038 -5.216 407 HH TYR 49 HH TYR 49 16.288 -8.014 -6.055 408 H ALA 50 H ALA 50 8.456 -4.991 -2.670 409 HA ALA 50 HA ALA 50 6.125 -6.584 -3.345 410 1HB ALA 50 1HB ALA 50 5.887 -7.344 -1.238 411 2HB ALA 50 2HB ALA 50 7.214 -6.316 -0.648 412 3HB ALA 50 3HB ALA 50 5.562 -5.660 -0.758 413 H LYS 51 H LYS 51 5.471 -5.039 -4.849 414 HA LYS 51 HA LYS 51 5.315 -2.282 -3.910 415 1HB LYS 51 1HB LYS 51 4.459 -2.605 -6.627 416 2HB LYS 51 2HB LYS 51 5.847 -1.741 -5.998 417 1HG LYS 51 1HG LYS 51 7.028 -4.038 -5.826 418 2HG LYS 51 2HG LYS 51 5.696 -4.689 -6.762 419 1HD LYS 51 1HD LYS 51 7.142 -4.151 -8.499 420 2HD LYS 51 2HD LYS 51 6.257 -2.642 -8.394 421 1HE LYS 51 1HE LYS 51 8.020 -1.616 -7.042 422 2HE LYS 51 2HE LYS 51 8.851 -3.149 -6.866 423 1HZ LYS 51 1HZ LYS 51 8.983 -3.093 -9.419 424 2HZ LYS 51 2HZ LYS 51 8.600 -1.514 -9.314 425 H VAL 52 H VAL 52 3.466 -1.551 -3.024 426 HA VAL 52 HA VAL 52 1.000 -2.958 -3.790 427 HB VAL 52 HB VAL 52 1.555 -3.387 -1.503 428 1HG1 VAL 52 1HG1 VAL 52 2.229 -0.487 -1.468 429 2HG1 VAL 52 2HG1 VAL 52 1.499 -1.159 0.009 430 3HG1 VAL 52 3HG1 VAL 52 3.002 -1.859 -0.638 431 1HG2 VAL 52 1HG2 VAL 52 -0.701 -3.264 -1.402 432 2HG2 VAL 52 2HG2 VAL 52 -0.386 -1.797 -0.446 433 3HG2 VAL 52 3HG2 VAL 52 -0.757 -1.665 -2.183 434 H TYR 53 H TYR 53 -0.465 -1.779 -4.910 435 HA TYR 53 HA TYR 53 0.086 1.000 -5.372 436 1HB TYR 53 1HB TYR 53 -1.225 -1.245 -6.585 437 2HB TYR 53 2HB TYR 53 -2.528 -0.134 -6.211 438 HD1 TYR 53 HD1 TYR 53 -1.597 -1.015 -8.992 439 HD2 TYR 53 HD2 TYR 53 -0.613 2.382 -6.584 440 HE1 TYR 53 HE1 TYR 53 -1.061 0.322 -11.087 441 HE2 TYR 53 HE2 TYR 53 -0.080 3.709 -8.687 442 HH TYR 53 HH TYR 53 0.166 2.185 -11.765 443 H VAL 54 H VAL 54 -1.018 2.785 -4.604 444 HA VAL 54 HA VAL 54 -3.411 2.303 -3.016 445 HB VAL 54 HB VAL 54 -2.225 4.086 -1.418 446 1HG1 VAL 54 1HG1 VAL 54 -1.840 2.302 0.144 447 2HG1 VAL 54 2HG1 VAL 54 -3.264 1.873 -0.837 448 3HG1 VAL 54 3HG1 VAL 54 -1.690 1.110 -1.171 449 1HG2 VAL 54 1HG2 VAL 54 -0.125 4.033 -2.782 450 2HG2 VAL 54 2HG2 VAL 54 0.110 3.618 -1.068 451 3HG2 VAL 54 3HG2 VAL 54 0.090 2.333 -2.300 452 H THR 55 H THR 55 -4.948 3.621 -3.831 453 HA THR 55 HA THR 55 -4.034 6.112 -5.101 454 HB THR 55 HB THR 55 -5.190 4.924 -6.763 455 HG1 THR 55 HG1 THR 55 -6.621 6.625 -6.728 456 1HG2 THR 55 1HG2 THR 55 -6.797 3.788 -4.441 457 2HG2 THR 55 2HG2 THR 55 -7.442 3.732 -6.099 458 3HG2 THR 55 3HG2 THR 55 -5.914 2.907 -5.710 459 H PHE 56 H PHE 56 -4.521 8.043 -4.250 460 HA PHE 56 HA PHE 56 -6.514 8.019 -2.092 461 1HB PHE 56 1HB PHE 56 -4.150 9.930 -2.526 462 2HB PHE 56 2HB PHE 56 -5.091 9.755 -1.059 463 HD1 PHE 56 HD1 PHE 56 -5.126 6.687 -1.049 464 HD2 PHE 56 HD2 PHE 56 -2.008 9.511 -1.598 465 HE1 PHE 56 HE1 PHE 56 -3.464 5.020 -0.180 466 HE2 PHE 56 HE2 PHE 56 -0.344 7.843 -0.729 467 HZ PHE 56 HZ PHE 56 -1.093 5.619 -0.029 468 H LEU 57 H LEU 57 -7.631 10.162 -1.751 469 HA LEU 57 HA LEU 57 -8.241 11.296 -4.369 470 1HB LEU 57 1HB LEU 57 -9.946 10.300 -2.690 471 2HB LEU 57 2HB LEU 57 -9.749 11.811 -1.826 472 HG LEU 57 HG LEU 57 -10.369 13.001 -3.987 473 1HD1 LEU 57 1HD1 LEU 57 -10.146 10.426 -5.063 474 2HD1 LEU 57 2HD1 LEU 57 -11.890 10.783 -5.058 475 3HD1 LEU 57 3HD1 LEU 57 -10.757 11.889 -5.871 476 1HD2 LEU 57 1HD2 LEU 57 -12.307 13.246 -2.944 477 2HD2 LEU 57 2HD2 LEU 57 -12.842 11.648 -3.519 478 3HD2 LEU 57 3HD2 LEU 57 -11.971 11.792 -1.974 479 H ASN 58 H ASN 58 -5.762 11.830 -2.614 480 HA ASN 58 HA ASN 58 -5.991 14.305 -1.455 481 1HB ASN 58 1HB ASN 58 -3.863 12.483 -2.277 482 2HB ASN 58 2HB ASN 58 -3.389 14.127 -2.657 483 1HD2 ASN 58 1HD2 ASN 58 -4.539 15.618 -0.730 484 2HD2 ASN 58 2HD2 ASN 58 -3.918 15.229 0.839 485 H ASP 59 H ASP 59 -5.567 13.249 -4.846 486 HA ASP 59 HA ASP 59 -4.539 15.313 -6.112 487 1HB ASP 59 1HB ASP 59 -6.474 14.873 -7.881 488 2HB ASP 59 2HB ASP 59 -5.273 13.640 -7.552 489 HD2 ASP 59 HD ASP 59 -7.584 11.425 -6.263 490 H LYS 60 H LYS 60 -7.765 15.130 -4.560 491 HA LYS 60 HA LYS 60 -9.148 17.162 -5.622 492 1HB LYS 60 1HB LYS 60 -8.957 15.925 -2.951 493 2HB LYS 60 2HB LYS 60 -9.638 17.540 -2.948 494 1HG LYS 60 1HG LYS 60 -10.758 16.087 -5.188 495 2HG LYS 60 2HG LYS 60 -10.896 15.082 -3.760 496 1HD LYS 60 1HD LYS 60 -11.594 17.931 -3.283 497 2HD LYS 60 2HD LYS 60 -12.638 17.138 -4.447 498 1HE LYS 60 1HE LYS 60 -13.293 15.441 -2.870 499 2HE LYS 60 2HE LYS 60 -11.981 15.833 -1.776 500 1HZ LYS 60 1HZ LYS 60 -14.555 16.997 -1.883 501 2HZ LYS 60 2HZ LYS 60 -13.392 17.242 -0.772 502 H ASP 61 H ASP 61 -6.504 17.485 -3.170 503 HA ASP 61 HA ASP 61 -6.334 20.266 -4.025 504 1HB ASP 61 1HB ASP 61 -5.571 19.307 -1.242 505 2HB ASP 61 2HB ASP 61 -5.835 20.956 -1.776 506 HD2 ASP 61 HD ASP 61 -8.059 21.437 -2.329 507 H GLU 62 H GLU 62 -4.264 20.781 -4.787 508 HA GLU 62 HA GLU 62 -2.329 18.767 -4.901 509 1HB GLU 62 1HB GLU 62 -2.720 20.710 -6.539 510 2HB GLU 62 2HB GLU 62 -1.877 21.737 -5.396 511 1HG GLU 62 1HG GLU 62 0.146 20.337 -5.551 512 2HG GLU 62 2HG GLU 62 -0.689 19.176 -6.564 513 HE2 GLU 62 HE GLU 62 -0.285 22.919 -7.651 514 H ASP 63 H ASP 63 -3.086 21.281 -2.569 515 HA ASP 63 HA ASP 63 -0.525 21.546 -1.489 516 1HB ASP 63 1HB ASP 63 -3.165 22.561 -1.020 517 2HB ASP 63 2HB ASP 63 -2.619 21.890 0.505 518 HD2 ASP 63 HD ASP 63 0.235 23.749 0.600 519 H ALA 64 H ALA 64 -3.411 19.478 -0.788 520 HA ALA 64 HA ALA 64 -2.145 18.222 1.462 521 1HB ALA 64 1HB ALA 64 -4.617 18.667 1.238 522 2HB ALA 64 2HB ALA 64 -4.666 17.439 -0.049 523 3HB ALA 64 3HB ALA 64 -4.212 16.973 1.608 524 H VAL 65 H VAL 65 -2.152 17.888 -2.001 525 HA VAL 65 HA VAL 65 -1.665 15.083 -2.054 526 HB VAL 65 HB VAL 65 -2.353 17.066 -3.856 527 1HG1 VAL 65 1HG1 VAL 65 -0.667 17.045 -5.608 528 2HG1 VAL 65 2HG1 VAL 65 0.044 17.661 -4.097 529 3HG1 VAL 65 3HG1 VAL 65 0.382 15.996 -4.627 530 1HG2 VAL 65 1HG2 VAL 65 -1.854 14.967 -5.498 531 2HG2 VAL 65 2HG2 VAL 65 -1.823 14.148 -3.917 532 3HG2 VAL 65 3HG2 VAL 65 -3.264 15.068 -4.414 533 H LYS 66 H LYS 66 0.340 18.079 -2.092 534 HA LYS 66 HA LYS 66 2.766 16.594 -2.354 535 1HB LYS 66 1HB LYS 66 2.036 19.157 -2.900 536 2HB LYS 66 2HB LYS 66 2.845 19.386 -1.363 537 1HG LYS 66 1HG LYS 66 4.826 19.284 -2.460 538 2HG LYS 66 2HG LYS 66 4.516 17.587 -2.769 539 1HD LYS 66 1HD LYS 66 2.948 18.833 -4.710 540 2HD LYS 66 2HD LYS 66 4.332 19.902 -4.613 541 1HE LYS 66 1HE LYS 66 5.881 18.114 -5.122 542 2HE LYS 66 2HE LYS 66 4.661 16.883 -4.860 543 1HZ LYS 66 1HZ LYS 66 4.887 17.242 -7.212 544 2HZ LYS 66 2HZ LYS 66 3.440 17.861 -6.797 545 H ALA 67 H ALA 67 1.089 18.388 0.315 546 HA ALA 67 HA ALA 67 3.004 17.748 2.258 547 1HB ALA 67 1HB ALA 67 0.980 19.474 2.145 548 2HB ALA 67 2HB ALA 67 0.107 18.147 2.949 549 3HB ALA 67 3HB ALA 67 1.563 18.839 3.704 550 H GLY 68 H GLY 68 -0.186 16.240 1.403 551 1HA GLY 68 1HA GLY 68 -0.191 14.223 3.299 552 2HA GLY 68 2HA GLY 68 -0.965 14.159 1.729 553 H ILE 69 H ILE 69 0.836 13.934 -0.186 554 HA ILE 69 HA ILE 69 1.830 11.375 0.027 555 HB ILE 69 HB ILE 69 1.352 12.859 -2.010 556 1HG1 ILE 69 1HG1 ILE 69 3.867 11.364 -2.504 557 2HG1 ILE 69 2HG1 ILE 69 2.593 10.467 -1.705 558 1HG2 ILE 69 1HG2 ILE 69 2.947 14.657 -1.348 559 2HG2 ILE 69 2HG2 ILE 69 4.286 13.530 -1.674 560 3HG2 ILE 69 3HG2 ILE 69 3.202 14.030 -2.995 561 1HD1 ILE 69 1HD1 ILE 69 1.511 10.230 -3.676 562 2HD1 ILE 69 2HD1 ILE 69 1.380 11.998 -3.823 563 3HD1 ILE 69 3HD1 ILE 69 2.800 11.153 -4.485 564 H LYS 70 H LYS 70 3.238 14.495 0.985 565 HA LYS 70 HA LYS 70 5.886 13.552 1.228 566 1HB LYS 70 1HB LYS 70 5.591 15.878 1.000 567 2HB LYS 70 2HB LYS 70 4.380 15.951 2.263 568 1HG LYS 70 1HG LYS 70 6.031 15.515 3.995 569 2HG LYS 70 2HG LYS 70 7.255 15.098 2.813 570 1HD LYS 70 1HD LYS 70 7.914 17.277 3.088 571 2HD LYS 70 2HD LYS 70 6.630 17.616 1.945 572 1HE LYS 70 1HE LYS 70 6.071 19.086 3.680 573 2HE LYS 70 2HE LYS 70 5.085 17.700 4.098 574 1HZ LYS 70 1HZ LYS 70 6.693 18.780 5.858 575 2HZ LYS 70 2HZ LYS 70 6.463 17.167 5.854 576 H ALA 71 H ALA 71 2.991 13.479 3.301 577 HA ALA 71 HA ALA 71 4.481 12.682 5.619 578 1HB ALA 71 1HB ALA 71 2.387 12.717 6.708 579 2HB ALA 71 2HB ALA 71 2.247 13.994 5.475 580 3HB ALA 71 3HB ALA 71 1.496 12.404 5.200 581 H LEU 72 H LEU 72 2.415 11.129 3.096 582 HA LEU 72 HA LEU 72 2.544 8.565 4.266 583 1HB LEU 72 1HB LEU 72 1.061 9.757 2.332 584 2HB LEU 72 2HB LEU 72 2.152 8.799 1.349 585 HG LEU 72 HG LEU 72 0.956 7.320 3.603 586 1HD1 LEU 72 1HD1 LEU 72 -0.746 8.944 1.886 587 2HD1 LEU 72 2HD1 LEU 72 -1.125 7.209 1.770 588 3HD1 LEU 72 3HD1 LEU 72 -1.142 8.021 3.356 589 1HD2 LEU 72 1HD2 LEU 72 2.175 6.033 2.083 590 2HD2 LEU 72 2HD2 LEU 72 0.480 5.732 1.635 591 3HD2 LEU 72 3HD2 LEU 72 1.468 6.854 0.670 592 H GLN 73 H GLN 73 4.787 10.516 2.433 593 HA GLN 73 HA GLN 73 6.240 8.267 1.456 594 1HB GLN 73 1HB GLN 73 6.138 10.449 0.237 595 2HB GLN 73 2HB GLN 73 6.997 11.220 1.555 596 1HG GLN 73 1HG GLN 73 8.388 8.797 0.622 597 2HG GLN 73 2HG GLN 73 8.152 9.948 -0.679 598 1HE2 GLN 73 1HE2 GLN 73 8.506 12.320 0.081 599 2HE2 GLN 73 2HE2 GLN 73 9.981 12.624 0.937 600 H GLU 74 H GLU 74 6.777 10.868 3.935 601 HA GLU 74 HA GLU 74 9.203 9.929 4.816 602 1HB GLU 74 1HB GLU 74 8.983 11.481 6.559 603 2HB GLU 74 2HB GLU 74 7.902 12.138 5.346 604 1HG GLU 74 1HG GLU 74 6.463 12.191 7.162 605 2HG GLU 74 2HG GLU 74 6.102 10.576 6.587 606 HE2 GLU 74 HE GLU 74 5.626 10.349 9.044 607 H ALA 75 H ALA 75 5.887 8.844 5.493 608 HA ALA 75 HA ALA 75 6.781 7.163 7.679 609 1HB ALA 75 1HB ALA 75 4.437 6.711 7.990 610 2HB ALA 75 2HB ALA 75 4.597 8.454 7.664 611 3HB ALA 75 3HB ALA 75 4.039 7.355 6.380 612 H SER 76 H SER 76 7.515 6.972 4.608 613 HA SER 76 HA SER 76 6.345 4.718 3.588 614 1HB SER 76 1HB SER 76 7.663 5.967 2.089 615 2HB SER 76 2HB SER 76 9.016 6.071 3.198 616 HG SER 76 HG SER 76 9.686 4.031 2.671 617 H GLY 77 H GLY 77 9.755 4.796 4.853 618 1HA GLY 77 1HA GLY 77 10.093 2.095 5.187 619 2HA GLY 77 2HA GLY 77 10.911 3.336 6.114 620 H PHE 78 H PHE 78 8.059 4.288 7.033 621 HA PHE 78 HA PHE 78 8.089 2.767 9.433 622 1HB PHE 78 1HB PHE 78 6.938 5.200 8.259 623 2HB PHE 78 2HB PHE 78 5.669 4.310 9.078 624 HD1 PHE 78 HD1 PHE 78 8.427 6.531 9.478 625 HD2 PHE 78 HD2 PHE 78 6.080 3.646 11.522 626 HE1 PHE 78 HE1 PHE 78 9.189 7.468 11.677 627 HE2 PHE 78 HE2 PHE 78 6.842 4.585 13.721 628 HZ PHE 78 HZ PHE 78 8.388 6.486 13.773 629 H ILE 79 H ILE 79 5.910 3.019 6.560 630 HA ILE 79 HA ILE 79 4.017 1.194 7.635 631 HB ILE 79 HB ILE 79 3.163 1.218 5.269 632 1HG1 ILE 79 1HG1 ILE 79 5.190 3.415 4.814 633 2HG1 ILE 79 2HG1 ILE 79 5.481 1.759 4.318 634 1HG2 ILE 79 1HG2 ILE 79 2.677 3.800 5.442 635 2HG2 ILE 79 2HG2 ILE 79 2.010 2.658 6.632 636 3HG2 ILE 79 3HG2 ILE 79 3.452 3.620 7.034 637 1HD1 ILE 79 1HD1 ILE 79 4.179 3.648 2.784 638 2HD1 ILE 79 2HD1 ILE 79 4.011 1.889 2.571 639 3HD1 ILE 79 3HD1 ILE 79 2.810 2.788 3.529 640 H ARG 80 H ARG 80 6.862 0.977 5.448 641 HA ARG 80 HA ARG 80 6.390 -1.661 4.718 642 1HB ARG 80 1HB ARG 80 7.916 -0.457 3.345 643 2HB ARG 80 2HB ARG 80 8.814 0.164 4.716 644 1HG ARG 80 1HG ARG 80 9.685 -2.125 5.198 645 2HG ARG 80 2HG ARG 80 8.767 -2.766 3.848 646 1HD ARG 80 1HD ARG 80 10.269 -1.989 2.292 647 2HD ARG 80 2HD ARG 80 10.469 -0.450 3.106 648 HE ARG 80 HE ARG 80 11.701 -2.457 4.719 649 1HH1 ARG 80 2HH2 ARG 80 12.175 -0.877 1.583 650 2HH1 ARG 80 1HH2 ARG 80 13.892 -1.107 1.587 651 1HH2 ARG 80 1HH ARG 80 14.923 -2.216 3.445 652 H SER 81 H SER 81 8.453 -0.132 7.281 653 HA SER 81 HA SER 81 9.446 -2.585 8.203 654 1HB SER 81 1HB SER 81 10.646 -0.490 8.604 655 2HB SER 81 2HB SER 81 9.289 0.171 9.495 656 HG SER 81 HG SER 81 10.255 -2.300 10.462 657 H LEU 82 H LEU 82 6.613 -0.538 8.971 658 HA LEU 82 HA LEU 82 5.934 -1.813 11.381 659 1HB LEU 82 1HB LEU 82 5.124 0.375 10.846 660 2HB LEU 82 2HB LEU 82 4.344 -0.203 9.386 661 HG LEU 82 HG LEU 82 3.415 -1.577 11.812 662 1HD1 LEU 82 1HD1 LEU 82 3.916 0.708 12.707 663 2HD1 LEU 82 2HD1 LEU 82 2.743 1.363 11.539 664 3HD1 LEU 82 3HD1 LEU 82 2.204 0.230 12.801 665 1HD2 LEU 82 1HD2 LEU 82 2.465 -0.846 9.209 666 2HD2 LEU 82 2HD2 LEU 82 1.755 -1.967 10.395 667 3HD2 LEU 82 3HD2 LEU 82 1.330 -0.238 10.439 668 H LEU 83 H LEU 83 5.364 -2.545 7.938 669 HA LEU 83 HA LEU 83 3.361 -4.484 8.424 670 1HB LEU 83 1HB LEU 83 5.144 -3.828 6.090 671 2HB LEU 83 2HB LEU 83 4.039 -5.188 6.055 672 HG LEU 83 HG LEU 83 2.850 -2.586 6.848 673 1HD1 LEU 83 1HD1 LEU 83 2.947 -2.723 3.956 674 2HD1 LEU 83 2HD1 LEU 83 3.340 -1.377 5.051 675 3HD1 LEU 83 3HD1 LEU 83 4.580 -2.588 4.651 676 1HD2 LEU 83 1HD2 LEU 83 1.546 -4.678 6.604 677 2HD2 LEU 83 2HD2 LEU 83 0.985 -3.373 5.532 678 3HD2 LEU 83 3HD2 LEU 83 1.963 -4.707 4.873 679 H GLY 84 H GLY 84 6.885 -4.762 7.573 680 1HA GLY 84 1HA GLY 84 7.199 -7.458 7.707 681 2HA GLY 84 2HA GLY 84 8.412 -6.297 8.208 682 H LYS 85 H LYS 85 7.353 -5.128 10.495 683 HA LYS 85 HA LYS 85 7.748 -7.211 12.379 684 1HB LYS 85 1HB LYS 85 7.530 -4.276 12.369 685 2HB LYS 85 2HB LYS 85 6.866 -5.025 13.808 686 1HG LYS 85 1HG LYS 85 9.185 -6.471 13.546 687 2HG LYS 85 2HG LYS 85 9.694 -4.952 12.837 688 1HD LYS 85 1HD LYS 85 8.170 -4.837 15.435 689 2HD LYS 85 2HD LYS 85 9.826 -5.405 15.493 690 1HE LYS 85 1HE LYS 85 10.184 -3.210 13.915 691 2HE LYS 85 2HE LYS 85 8.773 -2.677 14.808 692 1HZ LYS 85 1HZ LYS 85 11.200 -2.371 15.773 693 2HZ LYS 85 2HZ LYS 85 9.946 -2.654 16.771 694 H ALA 86 H ALA 86 4.924 -5.359 11.146 695 HA ALA 86 HA ALA 86 3.072 -6.278 13.006 696 1HB ALA 86 1HB ALA 86 2.490 -4.434 11.633 697 2HB ALA 86 2HB ALA 86 2.901 -5.309 10.138 698 3HB ALA 86 3HB ALA 86 1.451 -5.763 11.066 699 H MET 87 H MET 87 4.516 -7.770 10.109 700 HA MET 87 HA MET 87 2.783 -10.070 10.579 701 1HB MET 87 1HB MET 87 3.057 -10.600 8.226 702 2HB MET 87 2HB MET 87 2.765 -8.873 8.285 703 1HG MET 87 1HG MET 87 5.581 -9.157 8.574 704 2HG MET 87 2HG MET 87 5.131 -10.306 7.330 705 1HE MET 87 1HE MET 87 2.395 -8.277 5.892 706 2HE MET 87 2HE MET 87 3.581 -8.520 4.587 707 3HE MET 87 3HE MET 87 3.288 -9.812 5.776 708 H ARG 88 H ARG 88 5.578 -9.055 11.710 709 HA ARG 88 HA ARG 88 7.675 -9.854 11.832 710 1HB ARG 88 1HB ARG 88 5.647 -11.429 13.273 711 2HB ARG 88 2HB ARG 88 7.103 -12.368 13.010 712 1HG ARG 88 1HG ARG 88 8.371 -10.220 13.860 713 2HG ARG 88 2HG ARG 88 6.810 -9.731 14.487 714 1HD ARG 88 1HD ARG 88 6.685 -11.578 15.986 715 2HD ARG 88 2HD ARG 88 7.867 -12.512 15.091 716 HE ARG 88 HE ARG 88 9.294 -10.268 15.889 717 1HH1 ARG 88 2HH2 ARG 88 7.371 -12.697 17.608 718 2HH1 ARG 88 1HH2 ARG 88 8.287 -12.567 19.072 719 1HH2 ARG 88 1HH ARG 88 10.124 -11.031 19.174 720 H LEU 89 H LEU 89 8.278 -10.208 9.558 721 HA LEU 89 HA LEU 89 8.207 -13.053 8.825 722 1HB LEU 89 1HB LEU 89 6.927 -11.109 7.487 723 2HB LEU 89 2HB LEU 89 8.501 -10.978 6.725 724 HG LEU 89 HG LEU 89 8.410 -13.342 6.072 725 1HD1 LEU 89 1HD1 LEU 89 6.273 -13.431 8.007 726 2HD1 LEU 89 2HD1 LEU 89 5.709 -14.034 6.430 727 3HD1 LEU 89 3HD1 LEU 89 7.136 -14.764 7.201 728 1HD2 LEU 89 1HD2 LEU 89 7.404 -11.431 4.694 729 2HD2 LEU 89 2HD2 LEU 89 6.937 -13.094 4.270 730 3HD2 LEU 89 3HD2 LEU 89 5.821 -12.066 5.202 731 H ARG 90 H ARG 90 10.030 -12.373 6.511 732 HA ARG 90 HA ARG 90 12.385 -11.490 7.891 733 1HB ARG 90 1HB ARG 90 13.595 -13.618 6.885 734 2HB ARG 90 2HB ARG 90 12.741 -13.761 8.408 735 1HG ARG 90 1HG ARG 90 10.723 -14.614 7.202 736 2HG ARG 90 2HG ARG 90 11.566 -14.458 5.674 737 1HD ARG 90 1HD ARG 90 13.394 -16.003 6.780 738 2HD ARG 90 2HD ARG 90 12.149 -16.383 7.954 739 HE ARG 90 HE ARG 90 12.263 -17.310 5.208 740 1HH1 ARG 90 2HH2 ARG 90 9.995 -16.443 7.788 741 2HH1 ARG 90 1HH2 ARG 90 8.721 -17.445 7.175 742 1HH2 ARG 90 1HH ARG 90 9.089 -18.723 5.182 743 H ILE 91 H ILE 91 10.828 -12.830 4.922 744 HA ILE 91 HA ILE 91 12.639 -12.371 3.008 745 HB ILE 91 HB ILE 91 10.545 -11.574 1.647 746 1HG1 ILE 91 1HG1 ILE 91 8.903 -12.946 3.679 747 2HG1 ILE 91 2HG1 ILE 91 9.448 -11.349 4.150 748 1HG2 ILE 91 1HG2 ILE 91 10.642 -13.676 0.946 749 2HG2 ILE 91 2HG2 ILE 91 11.680 -14.056 2.340 750 3HG2 ILE 91 3HG2 ILE 91 9.916 -14.265 2.460 751 1HD1 ILE 91 1HD1 ILE 91 8.214 -10.283 2.514 752 2HD1 ILE 91 2HD1 ILE 91 8.417 -11.613 1.349 753 3HD1 ILE 91 3HD1 ILE 91 7.222 -11.753 2.659 754 H VAL 92 H VAL 92 11.018 -9.942 5.004 755 HA VAL 92 HA VAL 92 10.911 -7.679 4.704 756 HB VAL 92 HB VAL 92 13.859 -8.320 4.924 757 1HG1 VAL 92 1HG1 VAL 92 12.348 -5.786 5.018 758 2HG1 VAL 92 2HG1 VAL 92 13.452 -6.044 6.390 759 3HG1 VAL 92 3HG1 VAL 92 14.078 -6.084 4.724 760 1HG2 VAL 92 1HG2 VAL 92 11.722 -8.953 6.658 761 2HG2 VAL 92 2HG2 VAL 92 13.467 -9.063 6.990 762 3HG2 VAL 92 3HG2 VAL 92 12.575 -7.578 7.401 763 HA PRO 93 HA PRO 93 12.138 -7.597 0.289 764 1HB PRO 93 1HB PRO 93 9.666 -7.649 -0.872 765 2HB PRO 93 2HB PRO 93 10.662 -9.077 -0.673 766 1HG PRO 93 1HG PRO 93 8.263 -8.261 0.852 767 2HG PRO 93 2HG PRO 93 9.008 -9.843 0.741 768 1HD PRO 93 1HD PRO 93 9.200 -8.007 2.936 769 2HD PRO 93 2HD PRO 93 10.037 -9.538 2.774 770 H GLU 94 H GLU 94 11.551 -5.950 -1.467 771 HA GLU 94 HA GLU 94 11.586 -3.487 -0.141 772 1HB GLU 94 1HB GLU 94 12.498 -4.267 -2.518 773 2HB GLU 94 2HB GLU 94 10.929 -3.723 -3.077 774 1HG GLU 94 1HG GLU 94 11.309 -1.475 -2.325 775 2HG GLU 94 2HG GLU 94 12.653 -1.950 -1.306 776 HE2 GLU 94 HE GLU 94 13.343 -1.033 -5.077 777 H LEU 95 H LEU 95 9.448 -4.200 1.085 778 HA LEU 95 HA LEU 95 7.017 -4.039 -0.316 779 1HB LEU 95 1HB LEU 95 7.822 -4.813 2.172 780 2HB LEU 95 2HB LEU 95 7.038 -3.287 2.533 781 HG LEU 95 HG LEU 95 5.180 -4.457 0.894 782 1HD1 LEU 95 1HD1 LEU 95 5.702 -6.774 2.631 783 2HD1 LEU 95 2HD1 LEU 95 5.156 -6.696 0.938 784 3HD1 LEU 95 3HD1 LEU 95 6.888 -6.545 1.324 785 1HD2 LEU 95 1HD2 LEU 95 4.400 -3.439 2.811 786 2HD2 LEU 95 2HD2 LEU 95 4.113 -5.159 3.170 787 3HD2 LEU 95 3HD2 LEU 95 5.520 -4.326 3.873 788 H THR 96 H THR 96 7.097 -2.210 -1.703 789 HA THR 96 HA THR 96 7.124 0.372 -0.290 790 HB THR 96 HB THR 96 8.646 -0.535 -2.448 791 HG1 THR 96 HG1 THR 96 8.862 1.919 -2.633 792 1HG2 THR 96 1HG2 THR 96 6.519 -0.344 -3.892 793 2HG2 THR 96 2HG2 THR 96 6.521 1.393 -3.507 794 3HG2 THR 96 3HG2 THR 96 7.879 0.681 -4.411 795 H PHE 97 H PHE 97 5.743 2.081 -1.590 796 HA PHE 97 HA PHE 97 3.241 0.820 -2.413 797 1HB PHE 97 1HB PHE 97 2.074 2.526 -0.934 798 2HB PHE 97 2HB PHE 97 3.045 1.405 -0.002 799 HD1 PHE 97 HD1 PHE 97 2.240 4.759 -0.402 800 HD2 PHE 97 HD2 PHE 97 5.577 2.244 0.340 801 HE1 PHE 97 HE1 PHE 97 3.462 6.687 0.640 802 HE2 PHE 97 HE2 PHE 97 6.798 4.173 1.383 803 HZ PHE 97 HZ PHE 97 5.726 6.371 1.520 804 H PHE 98 H PHE 98 2.536 1.684 -4.308 805 HA PHE 98 HA PHE 98 3.808 4.135 -5.198 806 1HB PHE 98 1HB PHE 98 2.715 1.654 -6.295 807 2HB PHE 98 2HB PHE 98 1.858 2.995 -7.030 808 HD1 PHE 98 HD1 PHE 98 3.110 4.690 -8.344 809 HD2 PHE 98 HD2 PHE 98 4.993 1.195 -6.847 810 HE1 PHE 98 HE1 PHE 98 5.015 5.032 -9.941 811 HE2 PHE 98 HE2 PHE 98 6.899 1.537 -8.444 812 HZ PHE 98 HZ PHE 98 6.887 3.453 -9.973 813 H TYR 99 H TYR 99 2.833 6.089 -4.980 814 HA TYR 99 HA TYR 99 0.077 6.181 -4.155 815 1HB TYR 99 1HB TYR 99 1.504 8.675 -4.946 816 2HB TYR 99 2HB TYR 99 0.825 8.264 -3.384 817 HD1 TYR 99 HD1 TYR 99 2.323 5.932 -2.514 818 HD2 TYR 99 HD2 TYR 99 3.695 9.382 -4.640 819 HE1 TYR 99 HE1 TYR 99 4.667 5.576 -1.596 820 HE2 TYR 99 HE2 TYR 99 6.033 9.014 -3.715 821 HH TYR 99 HH TYR 99 7.344 7.021 -2.880 822 H ASP 100 H ASP 100 -1.376 5.730 -5.789 823 HA ASP 100 HA ASP 100 -0.937 7.168 -8.280 824 1HB ASP 100 1HB ASP 100 -1.641 4.486 -7.741 825 2HB ASP 100 2HB ASP 100 -3.147 5.222 -8.249 826 HD2 ASP 100 HD ASP 100 -0.334 5.686 -11.024 827 H ASN 101 H ASN 101 -1.894 9.207 -7.630 828 HA ASN 101 HA ASN 101 -4.624 9.033 -6.660 829 1HB ASN 101 1HB ASN 101 -3.141 11.656 -6.909 830 2HB ASN 101 2HB ASN 101 -4.307 11.164 -5.696 831 1HD2 ASN 101 1HD2 ASN 101 -1.274 12.030 -6.005 832 2HD2 ASN 101 2HD2 ASN 101 -0.465 11.062 -4.818 833 H SER 102 H SER 102 -5.654 11.499 -7.515 834 HA SER 102 HA SER 102 -5.807 11.034 -10.353 835 1HB SER 102 1HB SER 102 -7.943 11.766 -10.156 836 2HB SER 102 2HB SER 102 -7.694 11.683 -8.424 837 HG SER 102 HG SER 102 -8.487 13.795 -9.382 838 H LEU 103 H LEU 103 -3.525 12.458 -8.697 839 HA LEU 103 HA LEU 103 -3.608 15.036 -10.078 840 1HB LEU 103 1HB LEU 103 -3.285 14.894 -7.586 841 2HB LEU 103 2HB LEU 103 -1.738 14.128 -7.890 842 HG LEU 103 HG LEU 103 -1.755 16.493 -9.444 843 1HD1 LEU 103 1HD1 LEU 103 -2.821 16.953 -6.647 844 2HD1 LEU 103 2HD1 LEU 103 -2.101 18.216 -7.673 845 3HD1 LEU 103 3HD1 LEU 103 -3.591 17.392 -8.191 846 1HD2 LEU 103 1HD2 LEU 103 0.277 15.691 -8.615 847 2HD2 LEU 103 2HD2 LEU 103 -0.015 17.176 -7.678 848 3HD2 LEU 103 3HD2 LEU 103 -0.333 15.585 -6.946 849 H VAL 104 H VAL 104 -2.634 11.903 -10.627 850 HA VAL 104 HA VAL 104 -0.435 12.852 -12.321 851 HB VAL 104 HB VAL 104 -0.470 10.727 -10.257 852 1HG1 VAL 104 1HG1 VAL 104 1.277 9.416 -11.474 853 2HG1 VAL 104 2HG1 VAL 104 -0.344 9.311 -12.206 854 3HG1 VAL 104 3HG1 VAL 104 0.899 10.354 -12.940 855 1HG2 VAL 104 1HG2 VAL 104 1.449 11.704 -9.612 856 2HG2 VAL 104 2HG2 VAL 104 2.087 11.769 -11.272 857 3HG2 VAL 104 3HG2 VAL 104 0.969 13.029 -10.698 858 H GLU 105 H GLU 105 -3.525 11.611 -12.109 859 HA GLU 105 HA GLU 105 -3.234 10.478 -14.760 860 1HB GLU 105 1HB GLU 105 -4.907 9.122 -12.605 861 2HB GLU 105 2HB GLU 105 -4.611 8.539 -14.231 862 1HG GLU 105 1HG GLU 105 -2.024 8.950 -13.189 863 2HG GLU 105 2HG GLU 105 -2.922 8.304 -11.830 864 HE2 GLU 105 HE GLU 105 -0.933 7.070 -13.500 865 H GLY 106 H GLY 106 -5.286 11.808 -12.133 866 1HA GLY 106 1HA GLY 106 -6.938 13.369 -12.332 867 2HA GLY 106 2HA GLY 106 -6.858 13.256 -14.079 868 H MET 107 H MET 107 -7.041 10.213 -12.340 869 HA MET 107 HA MET 107 -9.896 10.158 -12.368 870 1HB MET 107 1HB MET 107 -10.184 8.559 -14.110 871 2HB MET 107 2HB MET 107 -8.942 9.601 -14.775 872 1HG MET 107 1HG MET 107 -7.407 7.781 -13.355 873 2HG MET 107 2HG MET 107 -8.747 6.772 -13.862 874 1HE MET 107 1HE MET 107 -5.415 8.680 -16.014 875 2HE MET 107 2HE MET 107 -6.773 9.789 -16.324 876 3HE MET 107 3HE MET 107 -6.334 9.363 -14.651 877 H ARG 108 H ARG 108 -7.676 9.886 -10.416 878 HA ARG 108 HA ARG 108 -8.246 7.144 -9.622 879 1HB ARG 108 1HB ARG 108 -5.669 8.533 -9.939 880 2HB ARG 108 2HB ARG 108 -5.852 7.906 -8.312 881 1HG ARG 108 1HG ARG 108 -5.180 5.903 -9.158 882 2HG ARG 108 2HG ARG 108 -6.780 5.784 -9.860 883 1HD ARG 108 1HD ARG 108 -5.799 7.163 -11.860 884 2HD ARG 108 2HD ARG 108 -4.227 6.771 -11.189 885 HE ARG 108 HE ARG 108 -4.483 4.570 -11.939 886 1HH1 ARG 108 2HH2 ARG 108 -7.665 6.128 -11.893 887 2HH1 ARG 108 1HH2 ARG 108 -8.464 4.802 -12.671 888 1HH2 ARG 108 1HH ARG 108 -7.192 2.866 -13.290 Start of MODEL 12 1 H MET 1 H MET 1 -7.596 -10.068 -2.086 2 HA MET 1 HA MET 1 -9.555 -8.020 -1.624 3 1HB MET 1 1HB MET 1 -7.918 -8.265 -3.661 4 2HB MET 1 2HB MET 1 -8.989 -9.533 -4.223 5 1HG MET 1 1HG MET 1 -10.900 -7.737 -3.896 6 2HG MET 1 2HG MET 1 -9.589 -6.575 -3.888 7 1HE MET 1 1HE MET 1 -10.961 -5.979 -7.271 8 2HE MET 1 2HE MET 1 -12.055 -7.258 -6.690 9 3HE MET 1 3HE MET 1 -11.476 -6.004 -5.567 10 H ALA 2 H ALA 2 -9.598 -11.224 -3.361 11 HA ALA 2 HA ALA 2 -11.662 -12.345 -1.935 12 1HB ALA 2 1HB ALA 2 -13.603 -11.499 -2.713 13 2HB ALA 2 2HB ALA 2 -12.636 -10.161 -3.380 14 3HB ALA 2 3HB ALA 2 -13.041 -11.561 -4.400 15 H LYS 3 H LYS 3 -9.506 -13.566 -2.668 16 HA LYS 3 HA LYS 3 -10.383 -15.320 -4.798 17 1HB LYS 3 1HB LYS 3 -8.353 -13.310 -5.211 18 2HB LYS 3 2HB LYS 3 -7.632 -14.903 -5.319 19 1HG LYS 3 1HG LYS 3 -9.595 -15.551 -6.864 20 2HG LYS 3 2HG LYS 3 -10.018 -13.850 -6.900 21 1HD LYS 3 1HD LYS 3 -8.376 -13.390 -8.402 22 2HD LYS 3 2HD LYS 3 -7.161 -14.170 -7.408 23 1HE LYS 3 1HE LYS 3 -7.327 -16.193 -8.529 24 2HE LYS 3 2HE LYS 3 -9.046 -16.015 -8.824 25 1HZ LYS 3 1HZ LYS 3 -7.215 -14.185 -10.212 26 2HZ LYS 3 2HZ LYS 3 -7.339 -15.710 -10.769 27 H GLU 4 H GLU 4 -10.654 -16.999 -3.338 28 HA GLU 4 HA GLU 4 -8.311 -17.620 -1.727 29 1HB GLU 4 1HB GLU 4 -10.520 -17.280 -0.555 30 2HB GLU 4 2HB GLU 4 -11.164 -18.656 -1.428 31 1HG GLU 4 1HG GLU 4 -9.176 -20.013 -0.460 32 2HG GLU 4 2HG GLU 4 -8.893 -18.649 0.603 33 HE2 GLU 4 HE GLU 4 -10.218 -21.487 1.042 34 H PHE 5 H PHE 5 -7.079 -18.662 -3.393 35 HA PHE 5 HA PHE 5 -8.118 -21.312 -4.038 36 1HB PHE 5 1HB PHE 5 -8.447 -19.647 -5.955 37 2HB PHE 5 2HB PHE 5 -6.727 -19.316 -5.924 38 HD1 PHE 5 HD1 PHE 5 -7.898 -22.728 -5.375 39 HD2 PHE 5 HD2 PHE 5 -6.533 -19.948 -8.275 40 HE1 PHE 5 HE1 PHE 5 -7.509 -24.608 -6.993 41 HE2 PHE 5 HE2 PHE 5 -6.144 -21.827 -9.894 42 HZ PHE 5 HZ PHE 5 -6.636 -24.134 -9.233 43 H GLY 6 H GLY 6 -6.581 -22.942 -3.934 44 1HA GLY 6 1HA GLY 6 -4.361 -22.780 -2.434 45 2HA GLY 6 2HA GLY 6 -4.539 -23.911 -3.760 46 H ARG 7 H ARG 7 -4.742 -21.564 -5.746 47 HA ARG 7 HA ARG 7 -2.126 -21.589 -6.532 48 1HB ARG 7 1HB ARG 7 -4.613 -20.310 -7.349 49 2HB ARG 7 2HB ARG 7 -3.300 -19.160 -7.507 50 1HG ARG 7 1HG ARG 7 -1.994 -20.860 -8.821 51 2HG ARG 7 2HG ARG 7 -3.336 -21.978 -8.691 52 1HD ARG 7 1HD ARG 7 -4.335 -21.022 -10.490 53 2HD ARG 7 2HD ARG 7 -4.401 -19.482 -9.655 54 HE ARG 7 HE ARG 7 -1.747 -19.715 -10.532 55 1HH1 ARG 7 2HH2 ARG 7 -4.938 -19.671 -12.072 56 2HH1 ARG 7 1HH2 ARG 7 -4.352 -18.990 -13.553 57 1HH2 ARG 7 1HH ARG 7 -2.016 -18.495 -13.773 58 HA PRO 8 HA PRO 8 -0.256 -18.185 -4.516 59 1HB PRO 8 1HB PRO 8 0.911 -16.630 -6.436 60 2HB PRO 8 2HB PRO 8 1.599 -18.142 -5.878 61 1HG PRO 8 1HG PRO 8 0.192 -17.570 -8.414 62 2HG PRO 8 2HG PRO 8 1.240 -18.918 -8.020 63 1HD PRO 8 1HD PRO 8 -1.624 -18.957 -8.169 64 2HD PRO 8 2HD PRO 8 -0.584 -20.272 -7.662 65 H GLN 9 H GLN 9 -3.019 -17.708 -6.063 66 HA GLN 9 HA GLN 9 -3.059 -14.873 -5.966 67 1HB GLN 9 1HB GLN 9 -4.686 -16.972 -7.049 68 2HB GLN 9 2HB GLN 9 -5.715 -16.019 -5.997 69 1HG GLN 9 1HG GLN 9 -5.645 -15.160 -8.365 70 2HG GLN 9 2HG GLN 9 -5.162 -13.962 -7.181 71 1HE2 GLN 9 1HE2 GLN 9 -3.851 -12.740 -8.392 72 2HE2 GLN 9 2HE2 GLN 9 -2.367 -13.264 -9.114 73 H ARG 10 H ARG 10 -4.248 -17.593 -3.921 74 HA ARG 10 HA ARG 10 -5.772 -16.143 -2.196 75 1HB ARG 10 1HB ARG 10 -5.542 -18.665 -2.277 76 2HB ARG 10 2HB ARG 10 -3.979 -18.523 -1.498 77 1HG ARG 10 1HG ARG 10 -6.117 -17.056 -0.066 78 2HG ARG 10 2HG ARG 10 -6.433 -18.776 -0.188 79 1HD ARG 10 1HD ARG 10 -3.628 -18.070 0.557 80 2HD ARG 10 2HD ARG 10 -4.839 -17.630 1.746 81 HE ARG 10 HE ARG 10 -5.244 -20.339 0.765 82 1HH1 ARG 10 2HH2 ARG 10 -3.328 -18.410 3.036 83 2HH1 ARG 10 1HH2 ARG 10 -3.005 -19.745 4.091 84 1HH2 ARG 10 1HH ARG 10 -3.891 -21.907 3.553 85 H VAL 11 H VAL 11 -2.289 -17.146 -1.777 86 HA VAL 11 HA VAL 11 -1.816 -15.780 0.564 87 HB VAL 11 HB VAL 11 -0.427 -17.421 -1.053 88 1HG1 VAL 11 1HG1 VAL 11 1.498 -16.339 -2.003 89 2HG1 VAL 11 2HG1 VAL 11 0.044 -15.531 -2.638 90 3HG1 VAL 11 3HG1 VAL 11 0.999 -14.760 -1.349 91 1HG2 VAL 11 1HG2 VAL 11 1.579 -16.851 0.430 92 2HG2 VAL 11 2HG2 VAL 11 0.549 -15.590 1.149 93 3HG2 VAL 11 3HG2 VAL 11 0.067 -17.300 1.255 94 H ALA 12 H ALA 12 -1.742 -14.645 -2.850 95 HA ALA 12 HA ALA 12 -0.620 -12.141 -2.326 96 1HB ALA 12 1HB ALA 12 -0.658 -12.261 -4.569 97 2HB ALA 12 2HB ALA 12 -1.833 -13.598 -4.522 98 3HB ALA 12 3HB ALA 12 -2.403 -11.912 -4.512 99 H GLN 13 H GLN 13 -3.989 -13.391 -2.207 100 HA GLN 13 HA GLN 13 -5.141 -10.861 -1.873 101 1HB GLN 13 1HB GLN 13 -6.132 -13.664 -1.205 102 2HB GLN 13 2HB GLN 13 -7.132 -12.235 -1.047 103 1HG GLN 13 1HG GLN 13 -6.131 -13.591 -3.531 104 2HG GLN 13 2HG GLN 13 -7.694 -12.862 -3.216 105 1HE2 GLN 13 1HE2 GLN 13 -4.293 -12.207 -3.865 106 2HE2 GLN 13 2HE2 GLN 13 -4.486 -10.641 -4.581 107 H GLU 14 H GLU 14 -4.735 -13.578 0.525 108 HA GLU 14 HA GLU 14 -5.491 -12.346 2.743 109 1HB GLU 14 1HB GLU 14 -3.886 -14.607 2.090 110 2HB GLU 14 2HB GLU 14 -3.000 -13.735 3.323 111 1HG GLU 14 1HG GLU 14 -5.202 -13.632 4.661 112 2HG GLU 14 2HG GLU 14 -5.870 -14.755 3.493 113 HE2 GLU 14 HE GLU 14 -4.521 -17.385 5.253 114 H MET 15 H MET 15 -2.295 -11.948 1.118 115 HA MET 15 HA MET 15 -1.302 -10.259 3.147 116 1HB MET 15 1HB MET 15 -0.409 -11.495 0.654 117 2HB MET 15 2HB MET 15 0.049 -9.805 0.639 118 1HG MET 15 1HG MET 15 0.688 -10.618 3.253 119 2HG MET 15 2HG MET 15 1.112 -12.015 2.284 120 1HE MET 15 1HE MET 15 4.103 -11.736 2.106 121 2HE MET 15 2HE MET 15 4.398 -10.228 3.005 122 3HE MET 15 3HE MET 15 3.155 -11.372 3.567 123 H GLN 16 H GLN 16 -2.998 -9.799 0.022 124 HA GLN 16 HA GLN 16 -2.497 -7.079 -0.204 125 1HB GLN 16 1HB GLN 16 -3.396 -8.664 -1.989 126 2HB GLN 16 2HB GLN 16 -4.960 -8.571 -1.204 127 1HG GLN 16 1HG GLN 16 -3.955 -5.875 -1.545 128 2HG GLN 16 2HG GLN 16 -3.800 -6.717 -3.075 129 1HE2 GLN 16 1HE2 GLN 16 -5.410 -5.096 -3.696 130 2HE2 GLN 16 2HE2 GLN 16 -7.093 -5.439 -3.479 131 H LYS 17 H LYS 17 -4.940 -8.965 1.599 132 HA LYS 17 HA LYS 17 -6.518 -6.668 2.230 133 1HB LYS 17 1HB LYS 17 -7.813 -8.196 3.579 134 2HB LYS 17 2HB LYS 17 -7.477 -8.927 2.023 135 1HG LYS 17 1HG LYS 17 -5.864 -10.424 2.922 136 2HG LYS 17 2HG LYS 17 -5.609 -9.445 4.355 137 1HD LYS 17 1HD LYS 17 -8.414 -10.354 4.061 138 2HD LYS 17 2HD LYS 17 -7.275 -11.682 4.185 139 1HE LYS 17 1HE LYS 17 -6.276 -10.217 6.195 140 2HE LYS 17 2HE LYS 17 -7.876 -9.503 6.195 141 1HZ LYS 17 1HZ LYS 17 -8.758 -11.840 6.330 142 2HZ LYS 17 2HZ LYS 17 -7.238 -12.380 6.551 143 H GLU 18 H GLU 18 -3.871 -8.552 3.747 144 HA GLU 18 HA GLU 18 -4.090 -7.260 6.224 145 1HB GLU 18 1HB GLU 18 -2.946 -9.482 5.751 146 2HB GLU 18 2HB GLU 18 -1.625 -8.591 5.022 147 1HG GLU 18 1HG GLU 18 -0.914 -8.930 7.264 148 2HG GLU 18 2HG GLU 18 -1.477 -7.272 7.248 149 HE2 GLU 18 HE GLU 18 -2.251 -7.123 9.229 150 H ILE 19 H ILE 19 -2.338 -6.582 3.180 151 HA ILE 19 HA ILE 19 -0.811 -4.461 4.372 152 HB ILE 19 HB ILE 19 0.160 -4.197 2.241 153 1HG1 ILE 19 1HG1 ILE 19 -2.212 -5.737 1.170 154 2HG1 ILE 19 2HG1 ILE 19 -1.746 -4.088 0.806 155 1HG2 ILE 19 1HG2 ILE 19 1.317 -6.033 2.704 156 2HG2 ILE 19 2HG2 ILE 19 -0.100 -6.806 3.455 157 3HG2 ILE 19 3HG2 ILE 19 0.167 -6.948 1.700 158 1HD1 ILE 19 1HD1 ILE 19 -0.547 -6.666 -0.172 159 2HD1 ILE 19 2HD1 ILE 19 -0.854 -5.152 -1.054 160 3HD1 ILE 19 3HD1 ILE 19 0.544 -5.274 0.040 161 H ALA 20 H ALA 20 -3.768 -4.857 2.370 162 HA ALA 20 HA ALA 20 -4.121 -2.141 1.803 163 1HB ALA 20 1HB ALA 20 -5.320 -3.733 0.514 164 2HB ALA 20 2HB ALA 20 -5.958 -4.548 1.962 165 3HB ALA 20 3HB ALA 20 -6.558 -2.933 1.512 166 H LEU 21 H LEU 21 -4.856 -4.168 4.645 167 HA LEU 21 HA LEU 21 -6.529 -2.192 5.851 168 1HB LEU 21 1HB LEU 21 -6.958 -4.456 6.358 169 2HB LEU 21 2HB LEU 21 -5.285 -4.774 6.773 170 HG LEU 21 HG LEU 21 -6.194 -2.714 8.515 171 1HD1 LEU 21 1HD1 LEU 21 -7.986 -4.979 9.093 172 2HD1 LEU 21 2HD1 LEU 21 -8.251 -3.225 9.246 173 3HD1 LEU 21 3HD1 LEU 21 -8.433 -4.017 7.662 174 1HD2 LEU 21 1HD2 LEU 21 -5.870 -4.573 10.229 175 2HD2 LEU 21 2HD2 LEU 21 -5.443 -5.618 8.853 176 3HD2 LEU 21 3HD2 LEU 21 -4.476 -4.165 9.202 177 H ILE 22 H ILE 22 -3.193 -3.463 6.545 178 HA ILE 22 HA ILE 22 -2.616 -1.571 8.496 179 HB ILE 22 HB ILE 22 -0.913 -3.252 6.671 180 1HG1 ILE 22 1HG1 ILE 22 -1.380 -3.450 9.656 181 2HG1 ILE 22 2HG1 ILE 22 -2.348 -4.303 8.471 182 1HG2 ILE 22 1HG2 ILE 22 0.707 -2.470 8.787 183 2HG2 ILE 22 2HG2 ILE 22 0.824 -1.928 7.096 184 3HG2 ILE 22 3HG2 ILE 22 -0.098 -0.966 8.277 185 1HD1 ILE 22 1HD1 ILE 22 0.661 -4.571 8.901 186 2HD1 ILE 22 2HD1 ILE 22 -0.586 -5.802 9.218 187 3HD1 ILE 22 3HD1 ILE 22 -0.215 -5.322 7.545 188 H LEU 23 H LEU 23 -2.809 -1.338 5.001 189 HA LEU 23 HA LEU 23 -1.245 1.099 4.956 190 1HB LEU 23 1HB LEU 23 -1.102 -0.634 3.180 191 2HB LEU 23 2HB LEU 23 -2.766 -0.295 2.750 192 HG LEU 23 HG LEU 23 -1.208 2.152 2.776 193 1HD1 LEU 23 1HD1 LEU 23 0.517 0.235 2.216 194 2HD1 LEU 23 2HD1 LEU 23 -0.261 0.312 0.615 195 3HD1 LEU 23 3HD1 LEU 23 0.504 1.765 1.305 196 1HD2 LEU 23 1HD2 LEU 23 -3.420 1.734 1.675 197 2HD2 LEU 23 2HD2 LEU 23 -2.191 2.478 0.624 198 3HD2 LEU 23 3HD2 LEU 23 -2.566 0.746 0.465 199 H GLN 24 H GLN 24 -4.499 0.068 5.529 200 HA GLN 24 HA GLN 24 -5.441 2.747 4.880 201 1HB GLN 24 1HB GLN 24 -6.771 0.042 4.963 202 2HB GLN 24 2HB GLN 24 -7.751 1.457 5.294 203 1HG GLN 24 1HG GLN 24 -6.459 2.358 3.076 204 2HG GLN 24 2HG GLN 24 -6.390 0.639 2.744 205 1HE2 GLN 24 1HE2 GLN 24 -7.864 0.296 1.246 206 2HE2 GLN 24 2HE2 GLN 24 -9.540 0.723 1.326 207 H ARG 25 H ARG 25 -4.274 0.899 7.425 208 HA ARG 25 HA ARG 25 -6.003 2.298 9.303 209 1HB ARG 25 1HB ARG 25 -5.715 -0.384 9.201 210 2HB ARG 25 2HB ARG 25 -4.290 -0.039 10.161 211 1HG ARG 25 1HG ARG 25 -6.808 1.346 11.012 212 2HG ARG 25 2HG ARG 25 -6.780 -0.391 11.235 213 1HD ARG 25 1HD ARG 25 -4.764 -0.265 12.605 214 2HD ARG 25 2HD ARG 25 -4.527 1.425 12.208 215 HE ARG 25 HE ARG 25 -7.098 1.274 13.344 216 1HH1 ARG 25 2HH2 ARG 25 -3.785 0.570 14.385 217 2HH1 ARG 25 1HH2 ARG 25 -4.107 0.900 16.054 218 1HH2 ARG 25 1HH ARG 25 -6.312 1.567 16.714 219 H GLU 26 H GLU 26 -2.645 0.925 8.929 220 HA GLU 26 HA GLU 26 -1.583 2.546 10.941 221 1HB GLU 26 1HB GLU 26 0.310 1.326 10.583 222 2HB GLU 26 2HB GLU 26 -0.722 0.341 9.566 223 1HG GLU 26 1HG GLU 26 1.046 0.815 8.102 224 2HG GLU 26 2HG GLU 26 -0.103 2.065 7.667 225 HE2 GLU 26 HE GLU 26 2.605 3.212 10.339 226 H ILE 27 H ILE 27 -2.482 3.149 7.637 227 HA ILE 27 HA ILE 27 -0.627 5.345 7.328 228 HB ILE 27 HB ILE 27 -1.807 3.600 5.594 229 1HG1 ILE 27 1HG1 ILE 27 -0.333 6.184 5.329 230 2HG1 ILE 27 2HG1 ILE 27 0.156 4.561 4.887 231 1HG2 ILE 27 1HG2 ILE 27 -3.253 6.243 5.276 232 2HG2 ILE 27 2HG2 ILE 27 -3.327 4.855 4.167 233 3HG2 ILE 27 3HG2 ILE 27 -3.985 4.713 5.813 234 1HD1 ILE 27 1HD1 ILE 27 -1.678 4.652 3.066 235 2HD1 ILE 27 2HD1 ILE 27 -1.764 6.397 3.407 236 3HD1 ILE 27 3HD1 ILE 27 -0.248 5.679 2.813 237 H LYS 28 H LYS 28 -1.862 7.435 6.307 238 HA LYS 28 HA LYS 28 -3.674 8.223 8.456 239 1HB LYS 28 1HB LYS 28 -3.153 10.540 7.618 240 2HB LYS 28 2HB LYS 28 -1.799 9.658 8.294 241 1HG LYS 28 1HG LYS 28 -2.129 9.186 5.393 242 2HG LYS 28 2HG LYS 28 -1.868 10.877 5.775 243 1HD LYS 28 1HD LYS 28 0.313 10.529 6.347 244 2HD LYS 28 2HD LYS 28 -0.074 9.124 7.319 245 1HE LYS 28 1HE LYS 28 -0.515 8.113 4.795 246 2HE LYS 28 2HE LYS 28 0.752 9.275 4.454 247 1HZ LYS 28 1HZ LYS 28 1.034 7.368 6.696 248 2HZ LYS 28 2HZ LYS 28 1.462 6.942 5.185 249 H ASP 29 H ASP 29 -5.405 6.852 7.460 250 HA ASP 29 HA ASP 29 -6.361 7.735 4.926 251 1HB ASP 29 1HB ASP 29 -7.182 5.625 5.000 252 2HB ASP 29 2HB ASP 29 -6.741 5.478 6.690 253 HD2 ASP 29 HD ASP 29 -8.494 4.382 7.188 254 HA PRO 30 HA PRO 30 -9.723 9.355 7.911 255 1HB PRO 30 1HB PRO 30 -9.323 9.229 10.611 256 2HB PRO 30 2HB PRO 30 -10.226 8.021 9.718 257 1HG PRO 30 1HG PRO 30 -7.492 7.845 10.827 258 2HG PRO 30 2HG PRO 30 -8.555 6.549 10.322 259 1HD PRO 30 1HD PRO 30 -6.301 7.579 8.880 260 2HD PRO 30 2HD PRO 30 -7.434 6.364 8.323 261 H ARG 31 H ARG 31 -6.410 9.884 8.511 262 HA ARG 31 HA ARG 31 -6.771 12.388 9.724 263 1HB ARG 31 1HB ARG 31 -4.576 10.647 8.993 264 2HB ARG 31 2HB ARG 31 -4.220 12.246 8.373 265 1HG ARG 31 1HG ARG 31 -4.399 13.253 10.556 266 2HG ARG 31 2HG ARG 31 -5.178 11.837 11.234 267 1HD ARG 31 1HD ARG 31 -3.056 10.519 10.824 268 2HD ARG 31 2HD ARG 31 -2.286 11.985 10.249 269 HE ARG 31 HE ARG 31 -3.489 12.327 12.887 270 1HH1 ARG 31 2HH2 ARG 31 -0.603 11.171 11.190 271 2HH1 ARG 31 1HH2 ARG 31 0.440 11.390 12.557 272 1HH2 ARG 31 1HH ARG 31 -0.471 12.240 14.604 273 H LEU 32 H LEU 32 -6.607 11.172 6.394 274 HA LEU 32 HA LEU 32 -6.603 13.941 5.419 275 1HB LEU 32 1HB LEU 32 -5.540 11.372 4.327 276 2HB LEU 32 2HB LEU 32 -6.103 12.595 3.203 277 HG LEU 32 HG LEU 32 -4.536 14.203 4.540 278 1HD1 LEU 32 1HD1 LEU 32 -3.738 11.514 5.557 279 2HD1 LEU 32 2HD1 LEU 32 -2.452 12.695 5.205 280 3HD1 LEU 32 3HD1 LEU 32 -3.739 13.100 6.367 281 1HD2 LEU 32 1HD2 LEU 32 -2.654 13.617 3.064 282 2HD2 LEU 32 2HD2 LEU 32 -3.458 12.078 2.666 283 3HD2 LEU 32 3HD2 LEU 32 -4.215 13.622 2.205 284 H GLY 33 H GLY 33 -8.879 12.378 6.634 285 1HA GLY 33 1HA GLY 33 -10.992 11.702 6.129 286 2HA GLY 33 2HA GLY 33 -10.998 13.224 5.263 287 H MET 34 H MET 34 -8.927 10.441 4.362 288 HA MET 34 HA MET 34 -10.692 10.014 2.080 289 1HB MET 34 1HB MET 34 -7.682 10.470 2.202 290 2HB MET 34 2HB MET 34 -8.345 9.500 0.901 291 1HG MET 34 1HG MET 34 -9.808 11.363 0.194 292 2HG MET 34 2HG MET 34 -9.295 12.328 1.564 293 1HE MET 34 1HE MET 34 -7.470 14.536 0.072 294 2HE MET 34 2HE MET 34 -7.934 13.788 1.618 295 3HE MET 34 3HE MET 34 -6.236 13.748 1.084 296 H MET 35 H MET 35 -10.757 7.838 1.247 297 HA MET 35 HA MET 35 -9.674 5.929 3.165 298 1HB MET 35 1HB MET 35 -12.282 6.313 2.152 299 2HB MET 35 2HB MET 35 -11.692 4.957 1.210 300 1HG MET 35 1HG MET 35 -12.442 3.745 3.026 301 2HG MET 35 2HG MET 35 -10.857 4.137 3.665 302 1HE MET 35 1HE MET 35 -13.646 3.906 6.093 303 2HE MET 35 2HE MET 35 -12.042 3.335 5.574 304 3HE MET 35 3HE MET 35 -12.178 4.579 6.840 305 H THR 36 H THR 36 -7.554 6.128 1.981 306 HA THR 36 HA THR 36 -7.006 5.720 -0.597 307 HB THR 36 HB THR 36 -4.927 4.566 0.248 308 HG1 THR 36 HG1 THR 36 -6.428 4.770 2.760 309 1HG2 THR 36 1HG2 THR 36 -5.617 6.549 2.421 310 2HG2 THR 36 2HG2 THR 36 -4.108 6.382 1.491 311 3HG2 THR 36 3HG2 THR 36 -5.534 7.144 0.746 312 H THR 37 H THR 37 -6.679 4.009 -2.073 313 HA THR 37 HA THR 37 -7.993 1.494 -1.295 314 HB THR 37 HB THR 37 -8.519 3.352 -3.644 315 HG1 THR 37 HG1 THR 37 -10.136 1.596 -1.940 316 1HG2 THR 37 1HG2 THR 37 -8.050 0.970 -4.507 317 2HG2 THR 37 2HG2 THR 37 -9.389 0.425 -3.469 318 3HG2 THR 37 3HG2 THR 37 -9.702 1.567 -4.798 319 H VAL 38 H VAL 38 -7.366 -0.377 -2.623 320 HA VAL 38 HA VAL 38 -4.653 0.011 -3.685 321 HB VAL 38 HB VAL 38 -5.840 -2.251 -2.073 322 1HG1 VAL 38 1HG1 VAL 38 -4.427 -3.034 -4.021 323 2HG1 VAL 38 2HG1 VAL 38 -3.056 -2.181 -3.270 324 3HG1 VAL 38 3HG1 VAL 38 -3.849 -3.524 -2.411 325 1HG2 VAL 38 1HG2 VAL 38 -3.254 -0.949 -1.372 326 2HG2 VAL 38 2HG2 VAL 38 -4.732 0.014 -1.135 327 3HG2 VAL 38 3HG2 VAL 38 -4.555 -1.561 -0.323 328 H SER 39 H SER 39 -5.414 0.356 -5.834 329 HA SER 39 HA SER 39 -7.093 -1.696 -6.942 330 1HB SER 39 1HB SER 39 -6.708 1.040 -7.453 331 2HB SER 39 2HB SER 39 -5.972 0.257 -8.837 332 HG SER 39 HG SER 39 -8.640 0.547 -8.218 333 H GLY 40 H GLY 40 -4.141 -2.039 -6.004 334 1HA GLY 40 1HA GLY 40 -3.347 -3.770 -8.134 335 2HA GLY 40 2HA GLY 40 -2.374 -2.313 -8.089 336 H VAL 41 H VAL 41 -2.007 -5.349 -7.307 337 HA VAL 41 HA VAL 41 -0.445 -4.726 -4.942 338 HB VAL 41 HB VAL 41 -2.525 -5.412 -3.978 339 1HG1 VAL 41 1HG1 VAL 41 -3.880 -6.618 -5.313 340 2HG1 VAL 41 2HG1 VAL 41 -2.521 -7.364 -6.188 341 3HG1 VAL 41 3HG1 VAL 41 -3.042 -8.027 -4.620 342 1HG2 VAL 41 1HG2 VAL 41 -0.165 -6.462 -3.299 343 2HG2 VAL 41 2HG2 VAL 41 -1.677 -6.914 -2.477 344 3HG2 VAL 41 3HG2 VAL 41 -1.001 -7.970 -3.740 345 H GLU 42 H GLU 42 1.565 -5.545 -5.228 346 HA GLU 42 HA GLU 42 1.774 -8.000 -6.753 347 1HB GLU 42 1HB GLU 42 3.441 -5.504 -7.303 348 2HB GLU 42 2HB GLU 42 3.698 -7.070 -8.046 349 1HG GLU 42 1HG GLU 42 2.112 -6.636 -9.606 350 2HG GLU 42 2HG GLU 42 0.908 -6.387 -8.359 351 HE2 GLU 42 HE GLU 42 0.527 -4.758 -10.287 352 H MET 43 H MET 43 3.028 -9.458 -5.666 353 HA MET 43 HA MET 43 4.952 -8.328 -3.783 354 1HB MET 43 1HB MET 43 3.885 -11.070 -3.243 355 2HB MET 43 2HB MET 43 4.164 -9.756 -2.117 356 1HG MET 43 1HG MET 43 1.816 -9.914 -4.071 357 2HG MET 43 2HG MET 43 1.727 -10.297 -2.364 358 1HE MET 43 1HE MET 43 2.397 -8.543 -0.453 359 2HE MET 43 2HE MET 43 1.413 -7.066 -0.590 360 3HE MET 43 3HE MET 43 0.670 -8.660 -0.872 361 H SER 44 H SER 44 6.939 -8.634 -4.725 362 HA SER 44 HA SER 44 7.340 -11.167 -6.093 363 1HB SER 44 1HB SER 44 8.712 -8.465 -6.258 364 2HB SER 44 2HB SER 44 9.500 -9.903 -6.876 365 HG SER 44 HG SER 44 7.022 -10.009 -7.857 366 H ARG 45 H ARG 45 8.122 -12.708 -4.683 367 HA ARG 45 HA ARG 45 9.948 -11.791 -2.636 368 1HB ARG 45 1HB ARG 45 8.092 -14.131 -2.960 369 2HB ARG 45 2HB ARG 45 9.560 -14.438 -2.055 370 1HG ARG 45 1HG ARG 45 8.557 -13.513 -0.245 371 2HG ARG 45 2HG ARG 45 8.643 -11.961 -1.055 372 1HD ARG 45 1HD ARG 45 6.305 -12.631 -0.294 373 2HD ARG 45 2HD ARG 45 6.425 -12.212 -1.990 374 HE ARG 45 HE ARG 45 5.975 -14.447 -2.567 375 1HH1 ARG 45 2HH2 ARG 45 6.736 -14.259 0.889 376 2HH1 ARG 45 1HH2 ARG 45 6.266 -15.896 1.208 377 1HH2 ARG 45 1HH ARG 45 5.457 -17.258 -0.591 378 H ASP 46 H ASP 46 10.086 -12.868 -5.780 379 HA ASP 46 HA ASP 46 11.723 -14.988 -5.892 380 1HB ASP 46 1HB ASP 46 11.154 -12.631 -7.562 381 2HB ASP 46 2HB ASP 46 12.793 -13.202 -7.802 382 HD2 ASP 46 HD ASP 46 10.078 -16.039 -8.409 383 H LEU 47 H LEU 47 12.371 -11.754 -4.660 384 HA LEU 47 HA LEU 47 15.076 -12.569 -3.996 385 1HB LEU 47 1HB LEU 47 14.382 -10.487 -5.954 386 2HB LEU 47 2HB LEU 47 15.498 -9.966 -4.708 387 HG LEU 47 HG LEU 47 16.034 -12.534 -6.168 388 1HD1 LEU 47 1HD1 LEU 47 16.620 -9.766 -7.252 389 2HD1 LEU 47 2HD1 LEU 47 17.301 -11.284 -7.884 390 3HD1 LEU 47 3HD1 LEU 47 15.546 -10.992 -7.967 391 1HD2 LEU 47 1HD2 LEU 47 18.415 -11.287 -5.847 392 2HD2 LEU 47 2HD2 LEU 47 17.515 -10.624 -4.461 393 3HD2 LEU 47 3HD2 LEU 47 17.691 -12.386 -4.650 394 H ALA 48 H ALA 48 12.815 -9.719 -3.892 395 HA ALA 48 HA ALA 48 12.025 -9.831 -1.346 396 1HB ALA 48 1HB ALA 48 14.911 -9.224 -1.470 397 2HB ALA 48 2HB ALA 48 13.968 -8.053 -0.515 398 3HB ALA 48 3HB ALA 48 13.918 -9.785 -0.104 399 H TYR 49 H TYR 49 10.381 -8.818 -2.703 400 HA TYR 49 HA TYR 49 10.476 -5.975 -2.486 401 1HB TYR 49 1HB TYR 49 10.262 -7.332 -5.242 402 2HB TYR 49 2HB TYR 49 10.308 -5.604 -4.950 403 HD1 TYR 49 HD1 TYR 49 12.464 -4.596 -3.980 404 HD2 TYR 49 HD2 TYR 49 12.255 -8.549 -5.603 405 HE1 TYR 49 HE1 TYR 49 14.991 -4.620 -4.268 406 HE2 TYR 49 HE2 TYR 49 14.780 -8.559 -5.886 407 HH TYR 49 HH TYR 49 16.770 -6.772 -4.360 408 H ALA 50 H ALA 50 8.407 -5.145 -2.341 409 HA ALA 50 HA ALA 50 6.230 -6.856 -3.288 410 1HB ALA 50 1HB ALA 50 5.285 -5.791 -0.898 411 2HB ALA 50 2HB ALA 50 5.828 -7.467 -1.151 412 3HB ALA 50 3HB ALA 50 6.958 -6.253 -0.506 413 H LYS 51 H LYS 51 5.723 -5.468 -4.993 414 HA LYS 51 HA LYS 51 5.497 -2.642 -4.449 415 1HB LYS 51 1HB LYS 51 4.565 -3.716 -7.042 416 2HB LYS 51 2HB LYS 51 5.617 -2.360 -6.692 417 1HG LYS 51 1HG LYS 51 7.316 -4.262 -5.908 418 2HG LYS 51 2HG LYS 51 6.319 -5.296 -6.914 419 1HD LYS 51 1HD LYS 51 7.240 -4.463 -8.815 420 2HD LYS 51 2HD LYS 51 6.896 -2.814 -8.333 421 1HE LYS 51 1HE LYS 51 9.013 -2.475 -7.459 422 2HE LYS 51 2HE LYS 51 9.149 -4.117 -6.861 423 1HZ LYS 51 1HZ LYS 51 9.531 -4.855 -9.163 424 2HZ LYS 51 2HZ LYS 51 9.413 -3.327 -9.714 425 H VAL 52 H VAL 52 3.739 -1.860 -3.425 426 HA VAL 52 HA VAL 52 1.180 -3.180 -4.026 427 HB VAL 52 HB VAL 52 2.180 -3.390 -1.687 428 1HG1 VAL 52 1HG1 VAL 52 1.558 -1.366 -0.224 429 2HG1 VAL 52 2HG1 VAL 52 3.035 -1.250 -1.212 430 3HG1 VAL 52 3HG1 VAL 52 1.543 -0.435 -1.741 431 1HG2 VAL 52 1HG2 VAL 52 0.026 -3.291 -0.646 432 2HG2 VAL 52 2HG2 VAL 52 -0.562 -2.101 -1.833 433 3HG2 VAL 52 3HG2 VAL 52 -0.225 -3.773 -2.341 434 H TYR 53 H TYR 53 -0.488 -1.909 -4.777 435 HA TYR 53 HA TYR 53 0.237 0.824 -5.434 436 1HB TYR 53 1HB TYR 53 -1.118 -1.313 -6.651 437 2HB TYR 53 2HB TYR 53 -2.460 -0.371 -6.036 438 HD1 TYR 53 HD1 TYR 53 -3.428 1.045 -7.586 439 HD2 TYR 53 HD2 TYR 53 0.791 0.365 -7.782 440 HE1 TYR 53 HE1 TYR 53 -3.269 2.582 -9.604 441 HE2 TYR 53 HE2 TYR 53 0.938 1.905 -9.800 442 HH TYR 53 HH TYR 53 -0.356 3.799 -10.713 443 H VAL 54 H VAL 54 -1.080 2.663 -4.910 444 HA VAL 54 HA VAL 54 -3.253 2.279 -3.059 445 HB VAL 54 HB VAL 54 -2.309 3.529 -1.261 446 1HG1 VAL 54 1HG1 VAL 54 -0.590 2.006 -0.461 447 2HG1 VAL 54 2HG1 VAL 54 -1.848 1.092 -1.329 448 3HG1 VAL 54 3HG1 VAL 54 -0.287 1.431 -2.117 449 1HG2 VAL 54 1HG2 VAL 54 -0.942 5.121 -2.465 450 2HG2 VAL 54 2HG2 VAL 54 0.073 4.268 -1.276 451 3HG2 VAL 54 3HG2 VAL 54 0.163 3.831 -2.999 452 H THR 55 H THR 55 -4.810 3.660 -3.724 453 HA THR 55 HA THR 55 -3.911 6.120 -5.074 454 HB THR 55 HB THR 55 -5.036 4.947 -6.760 455 HG1 THR 55 HG1 THR 55 -7.274 5.912 -5.140 456 1HG2 THR 55 1HG2 THR 55 -5.716 2.896 -5.737 457 2HG2 THR 55 2HG2 THR 55 -6.638 3.738 -4.468 458 3HG2 THR 55 3HG2 THR 55 -7.259 3.688 -6.137 459 H PHE 56 H PHE 56 -4.570 8.069 -4.332 460 HA PHE 56 HA PHE 56 -6.517 7.982 -2.135 461 1HB PHE 56 1HB PHE 56 -4.272 10.025 -2.552 462 2HB PHE 56 2HB PHE 56 -5.144 9.700 -1.066 463 HD1 PHE 56 HD1 PHE 56 -2.059 9.693 -1.824 464 HD2 PHE 56 HD2 PHE 56 -4.959 6.676 -1.122 465 HE1 PHE 56 HE1 PHE 56 -0.245 8.115 -1.103 466 HE2 PHE 56 HE2 PHE 56 -3.144 5.099 -0.401 467 HZ PHE 56 HZ PHE 56 -0.809 5.837 -0.400 468 H LEU 57 H LEU 57 -7.535 10.247 -1.756 469 HA LEU 57 HA LEU 57 -8.231 11.300 -4.399 470 1HB LEU 57 1HB LEU 57 -9.937 10.252 -2.774 471 2HB LEU 57 2HB LEU 57 -9.767 11.733 -1.853 472 HG LEU 57 HG LEU 57 -10.310 12.907 -4.136 473 1HD1 LEU 57 1HD1 LEU 57 -11.978 11.490 -5.434 474 2HD1 LEU 57 2HD1 LEU 57 -10.253 11.107 -5.652 475 3HD1 LEU 57 3HD1 LEU 57 -11.268 10.082 -4.607 476 1HD2 LEU 57 1HD2 LEU 57 -12.602 13.039 -3.526 477 2HD2 LEU 57 2HD2 LEU 57 -12.544 11.467 -2.692 478 3HD2 LEU 57 3HD2 LEU 57 -11.674 12.866 -2.017 479 H ASN 58 H ASN 58 -5.808 11.883 -2.537 480 HA ASN 58 HA ASN 58 -6.138 14.374 -1.432 481 1HB ASN 58 1HB ASN 58 -3.924 12.586 -2.154 482 2HB ASN 58 2HB ASN 58 -3.472 14.254 -2.453 483 1HD2 ASN 58 1HD2 ASN 58 -4.915 15.589 -0.532 484 2HD2 ASN 58 2HD2 ASN 58 -4.343 15.186 1.052 485 H ASP 59 H ASP 59 -5.552 13.262 -4.775 486 HA ASP 59 HA ASP 59 -4.472 15.291 -6.043 487 1HB ASP 59 1HB ASP 59 -5.191 13.543 -7.429 488 2HB ASP 59 2HB ASP 59 -6.793 13.497 -6.719 489 HD2 ASP 59 HD ASP 59 -6.068 16.175 -9.621 490 H LYS 60 H LYS 60 -7.831 15.125 -4.744 491 HA LYS 60 HA LYS 60 -9.088 17.194 -5.867 492 1HB LYS 60 1HB LYS 60 -9.124 15.923 -3.207 493 2HB LYS 60 2HB LYS 60 -9.772 17.550 -3.229 494 1HG LYS 60 1HG LYS 60 -11.307 16.949 -5.085 495 2HG LYS 60 2HG LYS 60 -10.619 15.340 -5.161 496 1HD LYS 60 1HD LYS 60 -12.620 15.104 -3.870 497 2HD LYS 60 2HD LYS 60 -11.313 15.042 -2.704 498 1HE LYS 60 1HE LYS 60 -12.613 16.614 -1.623 499 2HE LYS 60 2HE LYS 60 -11.732 17.716 -2.662 500 1HZ LYS 60 1HZ LYS 60 -14.498 17.170 -2.683 501 2HZ LYS 60 2HZ LYS 60 -13.694 18.280 -3.563 502 H ASP 61 H ASP 61 -6.522 17.421 -3.341 503 HA ASP 61 HA ASP 61 -6.349 20.241 -4.056 504 1HB ASP 61 1HB ASP 61 -5.463 19.300 -1.335 505 2HB ASP 61 2HB ASP 61 -6.067 20.873 -1.814 506 HD2 ASP 61 HD ASP 61 -7.746 17.565 -1.418 507 H GLU 62 H GLU 62 -4.327 20.656 -4.957 508 HA GLU 62 HA GLU 62 -2.368 18.670 -5.004 509 1HB GLU 62 1HB GLU 62 -2.801 20.550 -6.707 510 2HB GLU 62 2HB GLU 62 -1.946 21.623 -5.616 511 1HG GLU 62 1HG GLU 62 -0.108 19.648 -5.701 512 2HG GLU 62 2HG GLU 62 -0.883 19.314 -7.237 513 HE2 GLU 62 HE GLU 62 0.314 21.887 -8.893 514 H ASP 63 H ASP 63 -3.149 21.202 -2.724 515 HA ASP 63 HA ASP 63 -0.565 21.547 -1.697 516 1HB ASP 63 1HB ASP 63 -3.148 22.640 -1.290 517 2HB ASP 63 2HB ASP 63 -2.727 21.931 0.257 518 HD2 ASP 63 HD ASP 63 0.047 23.711 0.778 519 H ALA 64 H ALA 64 -3.451 19.526 -0.857 520 HA ALA 64 HA ALA 64 -2.163 18.356 1.421 521 1HB ALA 64 1HB ALA 64 -4.662 17.428 -0.040 522 2HB ALA 64 2HB ALA 64 -4.217 17.144 1.661 523 3HB ALA 64 3HB ALA 64 -4.657 18.781 1.118 524 H VAL 65 H VAL 65 -2.185 17.872 -2.029 525 HA VAL 65 HA VAL 65 -1.641 15.072 -1.943 526 HB VAL 65 HB VAL 65 -2.431 16.930 -3.832 527 1HG1 VAL 65 1HG1 VAL 65 -0.063 17.586 -4.168 528 2HG1 VAL 65 2HG1 VAL 65 0.320 15.905 -4.610 529 3HG1 VAL 65 3HG1 VAL 65 -0.786 16.861 -5.624 530 1HG2 VAL 65 1HG2 VAL 65 -3.291 14.907 -4.329 531 2HG2 VAL 65 2HG2 VAL 65 -1.841 14.722 -5.344 532 3HG2 VAL 65 3HG2 VAL 65 -1.871 14.038 -3.702 533 H LYS 66 H LYS 66 0.277 18.116 -2.194 534 HA LYS 66 HA LYS 66 2.740 16.717 -2.479 535 1HB LYS 66 1HB LYS 66 1.800 19.379 -2.741 536 2HB LYS 66 2HB LYS 66 3.049 19.416 -1.514 537 1HG LYS 66 1HG LYS 66 4.444 19.542 -3.342 538 2HG LYS 66 2HG LYS 66 4.294 17.797 -3.302 539 1HD LYS 66 1HD LYS 66 2.039 18.523 -4.759 540 2HD LYS 66 2HD LYS 66 3.192 19.744 -5.258 541 1HE LYS 66 1HE LYS 66 4.138 16.880 -5.171 542 2HE LYS 66 2HE LYS 66 3.054 17.338 -6.469 543 1HZ LYS 66 1HZ LYS 66 5.430 18.993 -5.887 544 2HZ LYS 66 2HZ LYS 66 5.570 17.666 -6.821 545 H ALA 67 H ALA 67 1.086 18.470 0.233 546 HA ALA 67 HA ALA 67 3.091 17.857 2.111 547 1HB ALA 67 1HB ALA 67 0.328 18.983 2.082 548 2HB ALA 67 2HB ALA 67 0.892 18.304 3.627 549 3HB ALA 67 3HB ALA 67 1.811 19.610 2.841 550 H GLY 68 H GLY 68 -0.166 16.399 1.429 551 1HA GLY 68 1HA GLY 68 -0.150 14.409 3.330 552 2HA GLY 68 2HA GLY 68 -0.943 14.317 1.771 553 H ILE 69 H ILE 69 0.812 14.011 -0.162 554 HA ILE 69 HA ILE 69 1.786 11.457 0.091 555 HB ILE 69 HB ILE 69 1.322 12.919 -1.969 556 1HG1 ILE 69 1HG1 ILE 69 3.788 11.427 -2.556 557 2HG1 ILE 69 2HG1 ILE 69 2.639 10.526 -1.588 558 1HG2 ILE 69 1HG2 ILE 69 2.853 14.373 -2.765 559 2HG2 ILE 69 2HG2 ILE 69 3.314 14.486 -1.050 560 3HG2 ILE 69 3HG2 ILE 69 4.234 13.435 -2.153 561 1HD1 ILE 69 1HD1 ILE 69 2.243 10.203 -4.025 562 2HD1 ILE 69 2HD1 ILE 69 0.846 10.973 -3.235 563 3HD1 ILE 69 3HD1 ILE 69 1.973 11.953 -4.205 564 H LYS 70 H LYS 70 3.302 14.592 0.887 565 HA LYS 70 HA LYS 70 5.918 13.638 1.149 566 1HB LYS 70 1HB LYS 70 4.395 16.063 1.846 567 2HB LYS 70 2HB LYS 70 5.745 15.738 2.913 568 1HG LYS 70 1HG LYS 70 7.332 15.781 1.123 569 2HG LYS 70 2HG LYS 70 6.094 15.570 -0.101 570 1HD LYS 70 1HD LYS 70 6.902 17.915 -0.052 571 2HD LYS 70 2HD LYS 70 5.201 17.833 0.357 572 1HE LYS 70 1HE LYS 70 5.645 18.913 2.300 573 2HE LYS 70 2HE LYS 70 6.588 17.533 2.828 574 1HZ LYS 70 1HZ LYS 70 8.544 18.548 2.197 575 2HZ LYS 70 2HZ LYS 70 7.878 19.423 0.996 576 H ALA 71 H ALA 71 3.071 13.601 3.310 577 HA ALA 71 HA ALA 71 4.603 12.743 5.572 578 1HB ALA 71 1HB ALA 71 2.585 12.893 6.719 579 2HB ALA 71 2HB ALA 71 2.309 14.046 5.393 580 3HB ALA 71 3HB ALA 71 1.622 12.408 5.305 581 H LEU 72 H LEU 72 2.577 11.246 3.004 582 HA LEU 72 HA LEU 72 2.629 8.665 4.153 583 1HB LEU 72 1HB LEU 72 1.124 9.822 2.302 584 2HB LEU 72 2HB LEU 72 2.297 9.095 1.222 585 HG LEU 72 HG LEU 72 1.092 7.336 3.310 586 1HD1 LEU 72 1HD1 LEU 72 -0.976 8.092 2.759 587 2HD1 LEU 72 2HD1 LEU 72 -0.460 8.692 1.164 588 3HD1 LEU 72 3HD1 LEU 72 -0.749 6.953 1.410 589 1HD2 LEU 72 1HD2 LEU 72 1.807 6.927 0.392 590 2HD2 LEU 72 2HD2 LEU 72 2.795 6.465 1.798 591 3HD2 LEU 72 3HD2 LEU 72 1.226 5.673 1.513 592 H GLN 73 H GLN 73 4.972 10.611 2.478 593 HA GLN 73 HA GLN 73 6.416 8.338 1.508 594 1HB GLN 73 1HB GLN 73 6.253 10.800 0.526 595 2HB GLN 73 2HB GLN 73 7.560 11.132 1.643 596 1HG GLN 73 1HG GLN 73 7.958 8.634 0.098 597 2HG GLN 73 2HG GLN 73 7.850 10.060 -0.915 598 1HE2 GLN 73 1HE2 GLN 73 9.329 11.739 -0.693 599 2HE2 GLN 73 2HE2 GLN 73 10.862 11.544 0.090 600 H GLU 74 H GLU 74 6.878 10.942 3.998 601 HA GLU 74 HA GLU 74 9.285 10.015 4.944 602 1HB GLU 74 1HB GLU 74 9.011 11.571 6.672 603 2HB GLU 74 2HB GLU 74 7.944 12.214 5.441 604 1HG GLU 74 1HG GLU 74 6.000 11.073 6.525 605 2HG GLU 74 2HG GLU 74 7.067 10.419 7.752 606 HE2 GLU 74 HE GLU 74 5.701 11.500 9.050 607 H ALA 75 H ALA 75 5.943 8.951 5.578 608 HA ALA 75 HA ALA 75 6.798 7.255 7.764 609 1HB ALA 75 1HB ALA 75 4.525 6.992 8.200 610 2HB ALA 75 2HB ALA 75 4.557 8.613 7.464 611 3HB ALA 75 3HB ALA 75 4.067 7.204 6.493 612 H SER 76 H SER 76 7.569 7.074 4.693 613 HA SER 76 HA SER 76 6.417 4.816 3.660 614 1HB SER 76 1HB SER 76 8.557 4.634 2.313 615 2HB SER 76 2HB SER 76 7.799 6.212 2.268 616 HG SER 76 HG SER 76 9.344 7.033 3.709 617 H GLY 77 H GLY 77 9.817 4.893 4.950 618 1HA GLY 77 1HA GLY 77 10.159 2.197 5.286 619 2HA GLY 77 2HA GLY 77 10.958 3.438 6.232 620 H PHE 78 H PHE 78 8.094 4.378 7.118 621 HA PHE 78 HA PHE 78 8.096 2.841 9.509 622 1HB PHE 78 1HB PHE 78 6.960 5.283 8.337 623 2HB PHE 78 2HB PHE 78 5.680 4.386 9.128 624 HD1 PHE 78 HD1 PHE 78 8.876 6.124 9.644 625 HD2 PHE 78 HD2 PHE 78 5.603 4.180 11.521 626 HE1 PHE 78 HE1 PHE 78 9.602 7.044 11.864 627 HE2 PHE 78 HE2 PHE 78 6.329 5.101 13.739 628 HZ PHE 78 HZ PHE 78 8.320 6.521 13.884 629 H ILE 79 H ILE 79 5.964 3.101 6.602 630 HA ILE 79 HA ILE 79 4.048 1.280 7.640 631 HB ILE 79 HB ILE 79 3.258 1.296 5.243 632 1HG1 ILE 79 1HG1 ILE 79 5.271 3.518 4.860 633 2HG1 ILE 79 2HG1 ILE 79 5.599 1.869 4.366 634 1HG2 ILE 79 1HG2 ILE 79 2.868 3.953 5.470 635 2HG2 ILE 79 2HG2 ILE 79 1.994 2.738 6.436 636 3HG2 ILE 79 3HG2 ILE 79 3.401 3.580 7.127 637 1HD1 ILE 79 1HD1 ILE 79 3.046 3.277 3.507 638 2HD1 ILE 79 2HD1 ILE 79 4.565 3.464 2.598 639 3HD1 ILE 79 3HD1 ILE 79 3.825 1.855 2.773 640 H ARG 80 H ARG 80 6.976 1.050 5.582 641 HA ARG 80 HA ARG 80 6.511 -1.581 4.808 642 1HB ARG 80 1HB ARG 80 8.098 -0.179 3.586 643 2HB ARG 80 2HB ARG 80 9.067 0.079 5.024 644 1HG ARG 80 1HG ARG 80 10.089 -1.989 4.884 645 2HG ARG 80 2HG ARG 80 8.646 -2.785 4.284 646 1HD ARG 80 1HD ARG 80 10.028 -2.824 2.381 647 2HD ARG 80 2HD ARG 80 9.074 -1.385 2.084 648 HE ARG 80 HE ARG 80 10.984 -0.059 2.415 649 1HH1 ARG 80 2HH2 ARG 80 11.629 -3.341 3.580 650 2HH1 ARG 80 1HH2 ARG 80 13.322 -3.060 3.815 651 1HH2 ARG 80 1HH ARG 80 14.234 -0.903 3.305 652 H SER 81 H SER 81 8.487 -0.084 7.455 653 HA SER 81 HA SER 81 9.413 -2.552 8.409 654 1HB SER 81 1HB SER 81 9.324 0.268 9.518 655 2HB SER 81 2HB SER 81 9.868 -1.055 10.529 656 HG SER 81 HG SER 81 11.032 -1.024 7.970 657 H LEU 82 H LEU 82 6.611 -0.430 9.135 658 HA LEU 82 HA LEU 82 5.815 -1.719 11.490 659 1HB LEU 82 1HB LEU 82 5.076 0.498 10.890 660 2HB LEU 82 2HB LEU 82 4.280 -0.106 9.450 661 HG LEU 82 HG LEU 82 3.299 -1.463 11.830 662 1HD1 LEU 82 1HD1 LEU 82 4.041 1.002 12.557 663 2HD1 LEU 82 2HD1 LEU 82 2.449 1.388 11.863 664 3HD1 LEU 82 3HD1 LEU 82 2.580 0.206 13.187 665 1HD2 LEU 82 1HD2 LEU 82 1.866 0.317 9.840 666 2HD2 LEU 82 2HD2 LEU 82 2.231 -1.405 9.582 667 3HD2 LEU 82 3HD2 LEU 82 1.149 -0.913 10.908 668 H LEU 83 H LEU 83 5.353 -2.428 8.026 669 HA LEU 83 HA LEU 83 3.298 -4.326 8.419 670 1HB LEU 83 1HB LEU 83 5.210 -3.735 6.171 671 2HB LEU 83 2HB LEU 83 4.052 -5.048 6.088 672 HG LEU 83 HG LEU 83 3.010 -2.335 6.782 673 1HD1 LEU 83 1HD1 LEU 83 3.028 -2.683 3.911 674 2HD1 LEU 83 2HD1 LEU 83 3.567 -1.302 4.896 675 3HD1 LEU 83 3HD1 LEU 83 4.687 -2.642 4.557 676 1HD2 LEU 83 1HD2 LEU 83 2.018 -4.805 5.394 677 2HD2 LEU 83 2HD2 LEU 83 1.315 -3.902 6.759 678 3HD2 LEU 83 3HD2 LEU 83 1.225 -3.237 5.109 679 H GLY 84 H GLY 84 6.842 -4.707 7.695 680 1HA GLY 84 1HA GLY 84 7.087 -7.402 7.862 681 2HA GLY 84 2HA GLY 84 8.303 -6.269 8.418 682 H LYS 85 H LYS 85 7.206 -5.075 10.659 683 HA LYS 85 HA LYS 85 7.457 -7.160 12.558 684 1HB LYS 85 1HB LYS 85 7.333 -4.230 12.527 685 2HB LYS 85 2HB LYS 85 6.536 -4.931 13.921 686 1HG LYS 85 1HG LYS 85 8.830 -6.470 13.799 687 2HG LYS 85 2HG LYS 85 9.423 -4.938 13.188 688 1HD LYS 85 1HD LYS 85 7.749 -5.059 15.724 689 2HD LYS 85 2HD LYS 85 9.477 -5.355 15.774 690 1HE LYS 85 1HE LYS 85 9.104 -2.993 14.190 691 2HE LYS 85 2HE LYS 85 8.072 -2.815 15.595 692 1HZ LYS 85 1HZ LYS 85 9.875 -2.785 16.994 693 2HZ LYS 85 2HZ LYS 85 10.783 -3.789 16.089 694 H ALA 86 H ALA 86 4.725 -5.254 11.201 695 HA ALA 86 HA ALA 86 2.778 -6.149 12.980 696 1HB ALA 86 1HB ALA 86 2.341 -4.264 11.577 697 2HB ALA 86 2HB ALA 86 2.713 -5.186 10.100 698 3HB ALA 86 3HB ALA 86 1.238 -5.549 11.028 699 H MET 87 H MET 87 4.338 -7.651 10.157 700 HA MET 87 HA MET 87 2.517 -9.905 10.494 701 1HB MET 87 1HB MET 87 4.355 -9.338 8.112 702 2HB MET 87 2HB MET 87 3.007 -10.457 8.157 703 1HG MET 87 1HG MET 87 1.415 -8.780 7.919 704 2HG MET 87 2HG MET 87 2.359 -7.602 8.810 705 1HE MET 87 1HE MET 87 1.523 -9.173 5.395 706 2HE MET 87 2HE MET 87 0.731 -7.645 5.849 707 3HE MET 87 3HE MET 87 1.832 -7.696 4.450 708 H ARG 88 H ARG 88 5.239 -8.991 11.843 709 HA ARG 88 HA ARG 88 7.304 -9.848 12.093 710 1HB ARG 88 1HB ARG 88 5.227 -11.770 13.189 711 2HB ARG 88 2HB ARG 88 6.926 -12.132 13.416 712 1HG ARG 88 1HG ARG 88 7.187 -9.760 14.380 713 2HG ARG 88 2HG ARG 88 5.439 -9.636 14.350 714 1HD ARG 88 1HD ARG 88 5.865 -10.405 16.546 715 2HD ARG 88 2HD ARG 88 5.450 -11.883 15.701 716 HE ARG 88 HE ARG 88 8.319 -11.270 15.643 717 1HH1 ARG 88 2HH2 ARG 88 5.732 -12.871 17.458 718 2HH1 ARG 88 1HH2 ARG 88 6.811 -13.940 18.293 719 1HH2 ARG 88 1HH ARG 88 9.164 -13.809 17.857 720 H LEU 89 H LEU 89 7.845 -10.177 9.735 721 HA LEU 89 HA LEU 89 7.819 -13.028 9.031 722 1HB LEU 89 1HB LEU 89 6.727 -10.949 7.640 723 2HB LEU 89 2HB LEU 89 8.317 -11.049 6.911 724 HG LEU 89 HG LEU 89 7.959 -13.353 6.272 725 1HD1 LEU 89 1HD1 LEU 89 5.515 -13.121 8.001 726 2HD1 LEU 89 2HD1 LEU 89 5.546 -14.272 6.643 727 3HD1 LEU 89 3HD1 LEU 89 6.755 -14.396 7.944 728 1HD2 LEU 89 1HD2 LEU 89 6.494 -11.151 5.282 729 2HD2 LEU 89 2HD2 LEU 89 6.956 -12.643 4.428 730 3HD2 LEU 89 3HD2 LEU 89 5.390 -12.547 5.267 731 H ARG 90 H ARG 90 9.773 -12.351 6.811 732 HA ARG 90 HA ARG 90 12.075 -11.536 8.303 733 1HB ARG 90 1HB ARG 90 13.364 -13.614 7.702 734 2HB ARG 90 2HB ARG 90 12.044 -13.939 8.809 735 1HG ARG 90 1HG ARG 90 10.616 -14.493 6.720 736 2HG ARG 90 2HG ARG 90 12.111 -14.459 5.806 737 1HD ARG 90 1HD ARG 90 12.696 -16.532 6.538 738 2HD ARG 90 2HD ARG 90 12.471 -16.071 8.214 739 HE ARG 90 HE ARG 90 9.876 -16.369 7.170 740 1HH1 ARG 90 2HH2 ARG 90 12.716 -18.443 7.599 741 2HH1 ARG 90 1HH2 ARG 90 11.786 -19.897 7.755 742 1HH2 ARG 90 1HH ARG 90 9.395 -19.779 7.621 743 H ILE 91 H ILE 91 10.675 -12.917 5.270 744 HA ILE 91 HA ILE 91 12.633 -12.437 3.480 745 HB ILE 91 HB ILE 91 10.674 -11.892 1.897 746 1HG1 ILE 91 1HG1 ILE 91 8.889 -12.985 4.027 747 2HG1 ILE 91 2HG1 ILE 91 9.287 -11.279 4.105 748 1HG2 ILE 91 1HG2 ILE 91 11.093 -14.035 1.491 749 2HG2 ILE 91 2HG2 ILE 91 11.558 -14.333 3.183 750 3HG2 ILE 91 3HG2 ILE 91 9.849 -14.441 2.697 751 1HD1 ILE 91 1HD1 ILE 91 8.675 -12.002 1.353 752 2HD1 ILE 91 2HD1 ILE 91 7.356 -12.518 2.431 753 3HD1 ILE 91 3HD1 ILE 91 7.868 -10.814 2.404 754 H VAL 92 H VAL 92 10.763 -10.073 5.311 755 HA VAL 92 HA VAL 92 10.517 -7.827 4.917 756 HB VAL 92 HB VAL 92 13.496 -8.150 5.317 757 1HG1 VAL 92 1HG1 VAL 92 11.637 -5.996 6.368 758 2HG1 VAL 92 2HG1 VAL 92 13.414 -6.039 6.449 759 3HG1 VAL 92 3HG1 VAL 92 12.600 -5.836 4.879 760 1HG2 VAL 92 1HG2 VAL 92 12.093 -7.800 7.785 761 2HG2 VAL 92 2HG2 VAL 92 11.360 -9.168 6.913 762 3HG2 VAL 92 3HG2 VAL 92 13.106 -9.165 7.261 763 HA PRO 93 HA PRO 93 12.047 -7.760 0.608 764 1HB PRO 93 1HB PRO 93 9.654 -7.873 -0.707 765 2HB PRO 93 2HB PRO 93 10.657 -9.281 -0.419 766 1HG PRO 93 1HG PRO 93 8.154 -8.477 0.936 767 2HG PRO 93 2HG PRO 93 8.928 -10.050 0.900 768 1HD PRO 93 1HD PRO 93 8.952 -8.172 3.069 769 2HD PRO 93 2HD PRO 93 9.820 -9.693 2.989 770 H GLU 94 H GLU 94 11.948 -6.066 -1.015 771 HA GLU 94 HA GLU 94 11.534 -3.633 0.295 772 1HB GLU 94 1HB GLU 94 12.840 -4.526 -2.031 773 2HB GLU 94 2HB GLU 94 11.602 -3.444 -2.636 774 1HG GLU 94 1HG GLU 94 12.443 -1.582 -1.432 775 2HG GLU 94 2HG GLU 94 13.287 -2.586 -0.270 776 HE2 GLU 94 HE GLU 94 15.583 -1.123 -2.704 777 H LEU 95 H LEU 95 9.179 -4.400 0.912 778 HA LEU 95 HA LEU 95 7.201 -4.291 -1.091 779 1HB LEU 95 1HB LEU 95 5.696 -4.625 0.604 780 2HB LEU 95 2HB LEU 95 7.156 -5.359 1.240 781 HG LEU 95 HG LEU 95 7.441 -2.898 2.293 782 1HD1 LEU 95 1HD1 LEU 95 4.482 -3.196 2.607 783 2HD1 LEU 95 2HD1 LEU 95 5.513 -1.752 2.746 784 3HD1 LEU 95 3HD1 LEU 95 5.117 -2.410 1.141 785 1HD2 LEU 95 1HD2 LEU 95 6.427 -3.812 4.371 786 2HD2 LEU 95 2HD2 LEU 95 5.801 -5.182 3.421 787 3HD2 LEU 95 3HD2 LEU 95 7.557 -4.931 3.572 788 H THR 96 H THR 96 7.485 -2.442 -2.387 789 HA THR 96 HA THR 96 7.469 0.144 -1.056 790 HB THR 96 HB THR 96 8.833 -0.787 -3.212 791 HG1 THR 96 HG1 THR 96 9.085 1.500 -3.562 792 1HG2 THR 96 1HG2 THR 96 6.325 -0.799 -4.331 793 2HG2 THR 96 2HG2 THR 96 6.788 0.895 -4.619 794 3HG2 THR 96 3HG2 THR 96 7.798 -0.424 -5.257 795 H PHE 97 H PHE 97 5.956 1.857 -1.734 796 HA PHE 97 HA PHE 97 3.352 0.697 -2.434 797 1HB PHE 97 1HB PHE 97 2.408 2.318 -0.791 798 2HB PHE 97 2HB PHE 97 3.617 1.331 0.007 799 HD1 PHE 97 HD1 PHE 97 6.021 2.328 0.118 800 HD2 PHE 97 HD2 PHE 97 2.541 4.633 -0.653 801 HE1 PHE 97 HE1 PHE 97 7.234 4.403 0.842 802 HE2 PHE 97 HE2 PHE 97 3.756 6.707 0.072 803 HZ PHE 97 HZ PHE 97 6.088 6.567 0.811 804 H PHE 98 H PHE 98 2.729 1.452 -4.400 805 HA PHE 98 HA PHE 98 3.818 3.973 -5.314 806 1HB PHE 98 1HB PHE 98 2.693 1.450 -6.367 807 2HB PHE 98 2HB PHE 98 1.918 2.821 -7.136 808 HD1 PHE 98 HD1 PHE 98 3.211 4.358 -8.534 809 HD2 PHE 98 HD2 PHE 98 5.030 0.962 -6.756 810 HE1 PHE 98 HE1 PHE 98 5.169 4.593 -10.088 811 HE2 PHE 98 HE2 PHE 98 6.988 1.198 -8.308 812 HZ PHE 98 HZ PHE 98 7.034 3.009 -9.956 813 H TYR 99 H TYR 99 2.778 5.852 -4.864 814 HA TYR 99 HA TYR 99 -0.027 5.765 -4.163 815 1HB TYR 99 1HB TYR 99 0.977 8.427 -4.323 816 2HB TYR 99 2HB TYR 99 0.888 7.462 -2.863 817 HD1 TYR 99 HD1 TYR 99 2.854 6.686 -1.783 818 HD2 TYR 99 HD2 TYR 99 3.108 8.342 -5.720 819 HE1 TYR 99 HE1 TYR 99 5.392 6.720 -1.614 820 HE2 TYR 99 HE2 TYR 99 5.644 8.370 -5.537 821 HH TYR 99 HH TYR 99 7.251 8.190 -2.752 822 H ASP 100 H ASP 100 -1.369 5.527 -5.927 823 HA ASP 100 HA ASP 100 -0.788 7.259 -8.189 824 1HB ASP 100 1HB ASP 100 -1.305 4.589 -8.193 825 2HB ASP 100 2HB ASP 100 -2.955 5.173 -8.285 826 HD2 ASP 100 HD ASP 100 -0.353 6.776 -10.435 827 H ASN 101 H ASN 101 -1.756 9.205 -7.264 828 HA ASN 101 HA ASN 101 -4.454 9.003 -6.316 829 1HB ASN 101 1HB ASN 101 -4.160 11.520 -5.970 830 2HB ASN 101 2HB ASN 101 -3.001 10.531 -5.105 831 1HD2 ASN 101 1HD2 ASN 101 -1.275 11.801 -5.006 832 2HD2 ASN 101 2HD2 ASN 101 -0.414 12.463 -6.355 833 H SER 102 H SER 102 -5.612 11.408 -7.194 834 HA SER 102 HA SER 102 -5.995 10.799 -9.978 835 1HB SER 102 1HB SER 102 -7.587 13.039 -9.117 836 2HB SER 102 2HB SER 102 -8.118 11.421 -9.538 837 HG SER 102 HG SER 102 -7.505 10.791 -7.291 838 H LEU 103 H LEU 103 -3.583 12.316 -8.610 839 HA LEU 103 HA LEU 103 -3.804 14.843 -10.050 840 1HB LEU 103 1HB LEU 103 -3.099 14.666 -7.617 841 2HB LEU 103 2HB LEU 103 -1.609 13.943 -8.189 842 HG LEU 103 HG LEU 103 -1.698 16.213 -9.714 843 1HD1 LEU 103 1HD1 LEU 103 -2.207 17.683 -7.329 844 2HD1 LEU 103 2HD1 LEU 103 -3.048 17.767 -8.896 845 3HD1 LEU 103 3HD1 LEU 103 -3.612 16.635 -7.645 846 1HD2 LEU 103 1HD2 LEU 103 -0.296 15.318 -7.280 847 2HD2 LEU 103 2HD2 LEU 103 0.343 15.964 -8.812 848 3HD2 LEU 103 3HD2 LEU 103 -0.267 17.076 -7.562 849 H VAL 104 H VAL 104 -3.112 11.745 -10.840 850 HA VAL 104 HA VAL 104 -1.156 12.626 -12.825 851 HB VAL 104 HB VAL 104 -0.913 10.363 -10.870 852 1HG1 VAL 104 1HG1 VAL 104 0.110 10.436 -13.705 853 2HG1 VAL 104 2HG1 VAL 104 1.020 9.590 -12.430 854 3HG1 VAL 104 3HG1 VAL 104 -0.648 9.096 -12.810 855 1HG2 VAL 104 1HG2 VAL 104 0.312 12.269 -10.212 856 2HG2 VAL 104 2HG2 VAL 104 1.513 11.188 -10.960 857 3HG2 VAL 104 3HG2 VAL 104 0.882 12.583 -11.869 858 H GLU 105 H GLU 105 -4.204 11.801 -12.357 859 HA GLU 105 HA GLU 105 -4.379 10.568 -14.913 860 1HB GLU 105 1HB GLU 105 -4.678 8.962 -12.439 861 2HB GLU 105 2HB GLU 105 -6.034 8.811 -13.540 862 1HG GLU 105 1HG GLU 105 -4.717 7.227 -14.550 863 2HG GLU 105 2HG GLU 105 -3.984 8.611 -15.334 864 HE2 GLU 105 HE GLU 105 -2.677 8.832 -12.136 865 H GLY 106 H GLY 106 -5.913 11.678 -11.864 866 1HA GLY 106 1HA GLY 106 -7.600 13.220 -11.686 867 2HA GLY 106 2HA GLY 106 -7.917 13.105 -13.405 868 H MET 107 H MET 107 -7.795 9.962 -12.934 869 HA MET 107 HA MET 107 -10.561 9.830 -12.010 870 1HB MET 107 1HB MET 107 -10.936 8.133 -13.645 871 2HB MET 107 2HB MET 107 -9.851 9.225 -14.483 872 1HG MET 107 1HG MET 107 -8.058 7.553 -13.168 873 2HG MET 107 2HG MET 107 -9.369 6.449 -13.531 874 1HE MET 107 1HE MET 107 -7.485 9.379 -14.729 875 2HE MET 107 2HE MET 107 -6.233 8.351 -15.469 876 3HE MET 107 3HE MET 107 -7.376 9.245 -16.501 877 H ARG 108 H ARG 108 -7.997 9.695 -10.399 878 HA ARG 108 HA ARG 108 -8.241 6.936 -9.515 879 1HB ARG 108 1HB ARG 108 -5.964 8.809 -9.784 880 2HB ARG 108 2HB ARG 108 -6.006 8.036 -8.211 881 1HG ARG 108 1HG ARG 108 -4.804 6.441 -9.411 882 2HG ARG 108 2HG ARG 108 -6.428 5.821 -9.630 883 1HD ARG 108 1HD ARG 108 -6.074 7.735 -11.709 884 2HD ARG 108 2HD ARG 108 -4.565 6.844 -11.640 885 HE ARG 108 HE ARG 108 -7.023 5.848 -12.680 886 1HH1 ARG 108 2HH2 ARG 108 -4.399 4.772 -10.556 887 2HH1 ARG 108 1HH2 ARG 108 -4.617 3.095 -10.930 888 1HH2 ARG 108 1HH ARG 108 -6.334 2.450 -12.472 Start of MODEL 13 1 H MET 1 H MET 1 -10.538 -8.172 -3.933 2 HA MET 1 HA MET 1 -10.447 -7.578 -1.141 3 1HB MET 1 1HB MET 1 -12.349 -8.893 -3.094 4 2HB MET 1 2HB MET 1 -12.551 -9.293 -1.400 5 1HG MET 1 1HG MET 1 -12.274 -6.532 -1.282 6 2HG MET 1 2HG MET 1 -13.100 -6.732 -2.814 7 1HE MET 1 1HE MET 1 -16.091 -5.820 -0.720 8 2HE MET 1 2HE MET 1 -14.577 -5.408 0.121 9 3HE MET 1 3HE MET 1 -14.690 -5.233 -1.648 10 H ALA 2 H ALA 2 -11.427 -10.764 -2.480 11 HA ALA 2 HA ALA 2 -9.132 -12.028 -1.220 12 1HB ALA 2 1HB ALA 2 -10.353 -12.406 0.655 13 2HB ALA 2 2HB ALA 2 -11.892 -12.023 -0.154 14 3HB ALA 2 3HB ALA 2 -11.173 -13.642 -0.329 15 H LYS 3 H LYS 3 -8.742 -14.174 -2.042 16 HA LYS 3 HA LYS 3 -10.539 -15.103 -4.117 17 1HB LYS 3 1HB LYS 3 -8.658 -13.438 -4.989 18 2HB LYS 3 2HB LYS 3 -7.657 -14.874 -4.892 19 1HG LYS 3 1HG LYS 3 -10.317 -15.342 -6.140 20 2HG LYS 3 2HG LYS 3 -9.303 -14.222 -7.029 21 1HD LYS 3 1HD LYS 3 -7.594 -15.833 -7.377 22 2HD LYS 3 2HD LYS 3 -8.119 -16.828 -6.032 23 1HE LYS 3 1HE LYS 3 -8.891 -18.050 -7.899 24 2HE LYS 3 2HE LYS 3 -10.325 -17.173 -7.406 25 1HZ LYS 3 1HZ LYS 3 -9.733 -17.051 -9.853 26 2HZ LYS 3 2HZ LYS 3 -10.006 -15.608 -9.147 27 H GLU 4 H GLU 4 -10.970 -16.827 -2.651 28 HA GLU 4 HA GLU 4 -8.852 -18.293 -1.529 29 1HB GLU 4 1HB GLU 4 -11.409 -18.075 -0.853 30 2HB GLU 4 2HB GLU 4 -11.620 -19.441 -1.929 31 1HG GLU 4 1HG GLU 4 -10.370 -20.888 -0.579 32 2HG GLU 4 2HG GLU 4 -9.381 -19.601 0.079 33 HE2 GLU 4 HE GLU 4 -11.448 -18.281 2.138 34 H PHE 5 H PHE 5 -7.437 -18.849 -3.290 35 HA PHE 5 HA PHE 5 -8.423 -21.144 -4.790 36 1HB PHE 5 1HB PHE 5 -8.595 -18.974 -6.155 37 2HB PHE 5 2HB PHE 5 -6.874 -18.731 -5.914 38 HD1 PHE 5 HD1 PHE 5 -7.019 -18.601 -8.490 39 HD2 PHE 5 HD2 PHE 5 -7.635 -22.177 -6.292 40 HE1 PHE 5 HE1 PHE 5 -6.540 -19.950 -10.551 41 HE2 PHE 5 HE2 PHE 5 -7.156 -23.528 -8.353 42 HZ PHE 5 HZ PHE 5 -6.613 -22.396 -10.459 43 H GLY 6 H GLY 6 -7.012 -22.814 -4.574 44 1HA GLY 6 1HA GLY 6 -4.810 -22.919 -3.062 45 2HA GLY 6 2HA GLY 6 -5.020 -23.900 -4.499 46 H ARG 7 H ARG 7 -5.057 -21.393 -6.265 47 HA ARG 7 HA ARG 7 -2.414 -21.459 -6.968 48 1HB ARG 7 1HB ARG 7 -4.830 -20.051 -7.779 49 2HB ARG 7 2HB ARG 7 -3.487 -18.927 -7.797 50 1HG ARG 7 1HG ARG 7 -3.556 -19.958 -9.980 51 2HG ARG 7 2HG ARG 7 -2.164 -20.630 -9.152 52 1HD ARG 7 1HD ARG 7 -4.645 -22.171 -8.655 53 2HD ARG 7 2HD ARG 7 -4.216 -22.106 -10.353 54 HE ARG 7 HE ARG 7 -2.686 -23.416 -8.205 55 1HH1 ARG 7 2HH2 ARG 7 -2.619 -22.208 -11.535 56 2HH1 ARG 7 1HH2 ARG 7 -1.274 -23.197 -11.998 57 1HH2 ARG 7 1HH ARG 7 -0.287 -24.667 -10.383 58 HA PRO 8 HA PRO 8 -0.521 -18.271 -4.643 59 1HB PRO 8 1HB PRO 8 0.764 -16.621 -6.402 60 2HB PRO 8 2HB PRO 8 1.385 -18.191 -5.931 61 1HG PRO 8 1HG PRO 8 0.093 -17.393 -8.467 62 2HG PRO 8 2HG PRO 8 1.085 -18.800 -8.135 63 1HD PRO 8 1HD PRO 8 -1.772 -18.734 -8.389 64 2HD PRO 8 2HD PRO 8 -0.790 -20.116 -7.943 65 H GLN 9 H GLN 9 -3.217 -17.605 -6.217 66 HA GLN 9 HA GLN 9 -3.173 -14.781 -5.923 67 1HB GLN 9 1HB GLN 9 -4.751 -16.675 -7.306 68 2HB GLN 9 2HB GLN 9 -5.844 -15.963 -6.135 69 1HG GLN 9 1HG GLN 9 -5.917 -14.622 -8.172 70 2HG GLN 9 2HG GLN 9 -5.155 -13.670 -6.912 71 1HE2 GLN 9 1HE2 GLN 9 -3.069 -13.055 -7.071 72 2HE2 GLN 9 2HE2 GLN 9 -2.051 -13.336 -8.443 73 H ARG 10 H ARG 10 -4.391 -17.613 -4.086 74 HA ARG 10 HA ARG 10 -5.996 -16.275 -2.328 75 1HB ARG 10 1HB ARG 10 -5.680 -18.806 -2.602 76 2HB ARG 10 2HB ARG 10 -4.219 -18.668 -1.645 77 1HG ARG 10 1HG ARG 10 -6.733 -17.455 -0.511 78 2HG ARG 10 2HG ARG 10 -6.621 -19.204 -0.529 79 1HD ARG 10 1HD ARG 10 -4.092 -18.113 0.403 80 2HD ARG 10 2HD ARG 10 -5.397 -17.387 1.322 81 HE ARG 10 HE ARG 10 -5.722 -20.274 1.034 82 1HH1 ARG 10 2HH2 ARG 10 -4.121 -17.754 2.941 83 2HH1 ARG 10 1HH2 ARG 10 -3.946 -18.753 4.345 84 1HH2 ARG 10 1HH ARG 10 -4.759 -21.007 4.290 85 H VAL 11 H VAL 11 -2.513 -17.267 -1.909 86 HA VAL 11 HA VAL 11 -2.162 -15.978 0.536 87 HB VAL 11 HB VAL 11 -0.747 -17.690 -0.996 88 1HG1 VAL 11 1HG1 VAL 11 0.682 -15.020 -1.234 89 2HG1 VAL 11 2HG1 VAL 11 1.386 -16.606 -1.627 90 3HG1 VAL 11 3HG1 VAL 11 0.009 -15.986 -2.569 91 1HG2 VAL 11 1HG2 VAL 11 -0.154 -17.855 1.181 92 2HG2 VAL 11 2HG2 VAL 11 1.225 -16.850 0.670 93 3HG2 VAL 11 3HG2 VAL 11 -0.192 -16.094 1.440 94 H ALA 12 H ALA 12 -1.789 -14.869 -2.866 95 HA ALA 12 HA ALA 12 -0.566 -12.435 -2.305 96 1HB ALA 12 1HB ALA 12 -0.737 -13.483 -4.543 97 2HB ALA 12 2HB ALA 12 -2.492 -13.184 -4.544 98 3HB ALA 12 3HB ALA 12 -1.354 -11.813 -4.552 99 H GLN 13 H GLN 13 -3.991 -13.493 -2.230 100 HA GLN 13 HA GLN 13 -4.984 -10.875 -1.939 101 1HB GLN 13 1HB GLN 13 -6.138 -13.651 -1.551 102 2HB GLN 13 2HB GLN 13 -7.066 -12.238 -1.092 103 1HG GLN 13 1HG GLN 13 -6.004 -12.937 -3.860 104 2HG GLN 13 2HG GLN 13 -7.679 -12.780 -3.370 105 1HE2 GLN 13 1HE2 GLN 13 -4.739 -11.143 -4.212 106 2HE2 GLN 13 2HE2 GLN 13 -5.373 -9.540 -4.375 107 H GLU 14 H GLU 14 -4.903 -13.658 0.413 108 HA GLU 14 HA GLU 14 -5.660 -12.431 2.623 109 1HB GLU 14 1HB GLU 14 -3.890 -14.688 1.994 110 2HB GLU 14 2HB GLU 14 -3.455 -13.938 3.517 111 1HG GLU 14 1HG GLU 14 -6.352 -14.607 2.878 112 2HG GLU 14 2HG GLU 14 -5.272 -15.821 3.536 113 HE2 GLU 14 HE GLU 14 -6.933 -13.365 6.026 114 H MET 15 H MET 15 -2.392 -12.180 1.123 115 HA MET 15 HA MET 15 -1.377 -10.608 3.241 116 1HB MET 15 1HB MET 15 -0.458 -11.843 0.756 117 2HB MET 15 2HB MET 15 0.107 -10.186 0.806 118 1HG MET 15 1HG MET 15 0.440 -11.474 3.422 119 2HG MET 15 2HG MET 15 1.231 -12.406 2.166 120 1HE MET 15 1HE MET 15 2.923 -11.860 3.935 121 2HE MET 15 2HE MET 15 4.126 -11.571 2.652 122 3HE MET 15 3HE MET 15 3.934 -10.396 3.976 123 H GLN 16 H GLN 16 -2.851 -9.972 0.025 124 HA GLN 16 HA GLN 16 -2.196 -7.275 -0.064 125 1HB GLN 16 1HB GLN 16 -2.989 -8.681 -1.998 126 2HB GLN 16 2HB GLN 16 -4.600 -8.679 -1.311 127 1HG GLN 16 1HG GLN 16 -3.570 -5.949 -1.440 128 2HG GLN 16 2HG GLN 16 -3.446 -6.709 -3.014 129 1HE2 GLN 16 1HE2 GLN 16 -5.032 -5.177 -3.684 130 2HE2 GLN 16 2HE2 GLN 16 -6.720 -5.456 -3.414 131 H LYS 17 H LYS 17 -4.814 -9.095 1.529 132 HA LYS 17 HA LYS 17 -6.366 -6.761 2.089 133 1HB LYS 17 1HB LYS 17 -7.061 -9.294 1.855 134 2HB LYS 17 2HB LYS 17 -6.663 -9.361 3.561 135 1HG LYS 17 1HG LYS 17 -8.369 -7.059 2.636 136 2HG LYS 17 2HG LYS 17 -9.117 -8.643 2.676 137 1HD LYS 17 1HD LYS 17 -7.612 -7.445 5.047 138 2HD LYS 17 2HD LYS 17 -9.342 -7.276 4.825 139 1HE LYS 17 1HE LYS 17 -8.367 -10.075 4.572 140 2HE LYS 17 2HE LYS 17 -8.107 -9.376 6.157 141 1HZ LYS 17 1HZ LYS 17 -10.689 -8.666 5.386 142 2HZ LYS 17 2HZ LYS 17 -10.545 -10.248 5.031 143 H GLU 18 H GLU 18 -3.909 -8.768 3.776 144 HA GLU 18 HA GLU 18 -4.239 -7.471 6.234 145 1HB GLU 18 1HB GLU 18 -3.173 -9.731 5.882 146 2HB GLU 18 2HB GLU 18 -1.785 -8.936 5.165 147 1HG GLU 18 1HG GLU 18 -1.161 -9.257 7.440 148 2HG GLU 18 2HG GLU 18 -1.615 -7.565 7.356 149 HE2 GLU 18 HE GLU 18 -2.110 -10.075 9.392 150 H ILE 19 H ILE 19 -1.986 -7.013 3.445 151 HA ILE 19 HA ILE 19 -0.533 -4.937 4.705 152 HB ILE 19 HB ILE 19 0.600 -4.721 2.669 153 1HG1 ILE 19 1HG1 ILE 19 -1.824 -5.976 1.360 154 2HG1 ILE 19 2HG1 ILE 19 -1.213 -4.348 1.142 155 1HG2 ILE 19 1HG2 ILE 19 0.360 -7.430 1.976 156 2HG2 ILE 19 2HG2 ILE 19 1.532 -6.690 3.094 157 3HG2 ILE 19 3HG2 ILE 19 -0.002 -7.347 3.718 158 1HD1 ILE 19 1HD1 ILE 19 -0.170 -5.246 -0.688 159 2HD1 ILE 19 2HD1 ILE 19 1.031 -5.804 0.503 160 3HD1 ILE 19 3HD1 ILE 19 -0.258 -6.904 -0.045 161 H ALA 20 H ALA 20 -3.253 -5.044 2.323 162 HA ALA 20 HA ALA 20 -3.437 -2.317 1.897 163 1HB ALA 20 1HB ALA 20 -5.809 -2.876 1.267 164 2HB ALA 20 2HB ALA 20 -4.593 -3.934 0.513 165 3HB ALA 20 3HB ALA 20 -5.539 -4.516 1.905 166 H LEU 21 H LEU 21 -4.573 -4.381 4.586 167 HA LEU 21 HA LEU 21 -6.271 -2.439 5.725 168 1HB LEU 21 1HB LEU 21 -6.625 -4.704 6.257 169 2HB LEU 21 2HB LEU 21 -4.956 -4.951 6.729 170 HG LEU 21 HG LEU 21 -5.959 -2.922 8.432 171 1HD1 LEU 21 1HD1 LEU 21 -7.928 -3.816 9.419 172 2HD1 LEU 21 2HD1 LEU 21 -8.220 -3.724 7.664 173 3HD1 LEU 21 3HD1 LEU 21 -7.842 -5.290 8.422 174 1HD2 LEU 21 1HD2 LEU 21 -5.079 -4.227 10.063 175 2HD2 LEU 21 2HD2 LEU 21 -5.797 -5.722 9.419 176 3HD2 LEU 21 3HD2 LEU 21 -4.335 -5.041 8.665 177 H ILE 22 H ILE 22 -2.936 -3.560 6.657 178 HA ILE 22 HA ILE 22 -2.555 -1.571 8.563 179 HB ILE 22 HB ILE 22 -0.536 -3.088 6.906 180 1HG1 ILE 22 1HG1 ILE 22 -1.663 -3.730 9.646 181 2HG1 ILE 22 2HG1 ILE 22 -2.174 -4.499 8.156 182 1HG2 ILE 22 1HG2 ILE 22 -0.182 -1.642 9.545 183 2HG2 ILE 22 2HG2 ILE 22 1.048 -2.603 8.690 184 3HG2 ILE 22 3HG2 ILE 22 0.433 -1.097 7.966 185 1HD1 ILE 22 1HD1 ILE 22 0.645 -4.531 9.326 186 2HD1 ILE 22 2HD1 ILE 22 -0.486 -5.902 9.239 187 3HD1 ILE 22 3HD1 ILE 22 0.206 -5.223 7.746 188 H LEU 23 H LEU 23 -2.516 -1.489 5.057 189 HA LEU 23 HA LEU 23 -1.001 0.974 5.000 190 1HB LEU 23 1HB LEU 23 -0.970 -1.003 3.308 191 2HB LEU 23 2HB LEU 23 -2.425 -0.264 2.667 192 HG LEU 23 HG LEU 23 -1.097 1.884 2.406 193 1HD1 LEU 23 1HD1 LEU 23 1.352 0.143 2.639 194 2HD1 LEU 23 2HD1 LEU 23 1.237 1.918 2.552 195 3HD1 LEU 23 3HD1 LEU 23 0.716 1.062 4.024 196 1HD2 LEU 23 1HD2 LEU 23 -0.121 1.211 0.301 197 2HD2 LEU 23 2HD2 LEU 23 -0.126 -0.497 0.804 198 3HD2 LEU 23 3HD2 LEU 23 -1.664 0.358 0.542 199 H GLN 24 H GLN 24 -4.249 -0.069 5.497 200 HA GLN 24 HA GLN 24 -5.193 2.569 4.689 201 1HB GLN 24 1HB GLN 24 -6.446 -0.157 4.683 202 2HB GLN 24 2HB GLN 24 -7.500 1.194 5.050 203 1HG GLN 24 1HG GLN 24 -7.392 2.040 2.913 204 2HG GLN 24 2HG GLN 24 -5.688 1.670 2.740 205 1HE2 GLN 24 1HE2 GLN 24 -8.907 0.201 2.884 206 2HE2 GLN 24 2HE2 GLN 24 -8.603 -1.123 1.808 207 H ARG 25 H ARG 25 -4.252 0.685 7.347 208 HA ARG 25 HA ARG 25 -6.081 2.139 9.082 209 1HB ARG 25 1HB ARG 25 -4.938 -0.601 9.141 210 2HB ARG 25 2HB ARG 25 -4.805 0.226 10.681 211 1HG ARG 25 1HG ARG 25 -6.952 -1.068 10.432 212 2HG ARG 25 2HG ARG 25 -7.206 0.635 10.763 213 1HD ARG 25 1HD ARG 25 -7.693 1.099 8.413 214 2HD ARG 25 2HD ARG 25 -7.197 -0.511 7.933 215 HE ARG 25 HE ARG 25 -9.264 -0.774 9.886 216 1HH1 ARG 25 2HH2 ARG 25 -8.853 0.338 6.547 217 2HH1 ARG 25 1HH2 ARG 25 -10.483 -0.030 6.092 218 1HH2 ARG 25 1HH ARG 25 -11.972 -0.969 7.719 219 H GLU 26 H GLU 26 -2.695 0.781 9.015 220 HA GLU 26 HA GLU 26 -1.805 2.504 11.027 221 1HB GLU 26 1HB GLU 26 0.079 1.238 10.912 222 2HB GLU 26 2HB GLU 26 -0.830 0.241 9.793 223 1HG GLU 26 1HG GLU 26 1.084 0.688 8.525 224 2HG GLU 26 2HG GLU 26 0.017 1.963 7.968 225 HE2 GLU 26 HE GLU 26 2.405 3.266 10.874 226 H ILE 27 H ILE 27 -2.635 3.077 7.768 227 HA ILE 27 HA ILE 27 -0.664 5.174 7.399 228 HB ILE 27 HB ILE 27 -1.734 3.417 5.680 229 1HG1 ILE 27 1HG1 ILE 27 -0.614 6.181 5.258 230 2HG1 ILE 27 2HG1 ILE 27 0.178 4.629 5.073 231 1HG2 ILE 27 1HG2 ILE 27 -3.992 4.217 5.790 232 2HG2 ILE 27 2HG2 ILE 27 -3.471 5.888 5.472 233 3HG2 ILE 27 3HG2 ILE 27 -3.316 4.650 4.201 234 1HD1 ILE 27 1HD1 ILE 27 -0.239 5.214 2.840 235 2HD1 ILE 27 2HD1 ILE 27 -1.657 4.206 3.211 236 3HD1 ILE 27 3HD1 ILE 27 -1.799 5.981 3.228 237 H LYS 28 H LYS 28 -1.850 7.251 6.254 238 HA LYS 28 HA LYS 28 -3.730 8.133 8.318 239 1HB LYS 28 1HB LYS 28 -3.045 10.429 7.524 240 2HB LYS 28 2HB LYS 28 -1.800 9.494 8.324 241 1HG LYS 28 1HG LYS 28 -1.788 8.918 5.461 242 2HG LYS 28 2HG LYS 28 -1.691 10.648 5.720 243 1HD LYS 28 1HD LYS 28 0.570 9.611 5.670 244 2HD LYS 28 2HD LYS 28 0.247 10.365 7.219 245 1HE LYS 28 1HE LYS 28 -0.606 7.979 7.947 246 2HE LYS 28 2HE LYS 28 0.262 7.405 6.535 247 1HZ LYS 28 1HZ LYS 28 2.265 7.887 7.495 248 2HZ LYS 28 2HZ LYS 28 1.740 9.215 8.279 249 H ASP 29 H ASP 29 -5.413 6.815 7.153 250 HA ASP 29 HA ASP 29 -6.166 7.910 4.605 251 1HB ASP 29 1HB ASP 29 -6.850 5.759 4.369 252 2HB ASP 29 2HB ASP 29 -6.593 5.443 6.073 253 HD2 ASP 29 HD ASP 29 -9.876 4.649 6.006 254 HA PRO 30 HA PRO 30 -9.841 8.999 7.451 255 1HB PRO 30 1HB PRO 30 -9.724 8.442 10.124 256 2HB PRO 30 2HB PRO 30 -10.487 7.381 8.956 257 1HG PRO 30 1HG PRO 30 -7.881 7.069 10.317 258 2HG PRO 30 2HG PRO 30 -8.843 5.855 9.496 259 1HD PRO 30 1HD PRO 30 -6.483 7.142 8.494 260 2HD PRO 30 2HD PRO 30 -7.510 6.016 7.630 261 H ARG 31 H ARG 31 -6.641 9.623 8.094 262 HA ARG 31 HA ARG 31 -7.197 11.852 9.783 263 1HB ARG 31 1HB ARG 31 -5.102 10.834 10.250 264 2HB ARG 31 2HB ARG 31 -4.710 10.625 8.556 265 1HG ARG 31 1HG ARG 31 -4.559 13.167 8.358 266 2HG ARG 31 2HG ARG 31 -4.755 13.260 10.098 267 1HD ARG 31 1HD ARG 31 -2.732 11.490 10.084 268 2HD ARG 31 2HD ARG 31 -2.423 12.186 8.506 269 HE ARG 31 HE ARG 31 -2.838 14.330 10.347 270 1HH1 ARG 31 2HH2 ARG 31 -0.461 11.787 9.679 271 2HH1 ARG 31 1HH2 ARG 31 0.867 12.685 10.332 272 1HH2 ARG 31 1HH ARG 31 0.478 14.874 11.227 273 H LEU 32 H LEU 32 -6.179 11.208 6.374 274 HA LEU 32 HA LEU 32 -5.970 13.972 5.725 275 1HB LEU 32 1HB LEU 32 -5.702 11.366 4.346 276 2HB LEU 32 2HB LEU 32 -6.161 12.726 3.340 277 HG LEU 32 HG LEU 32 -4.160 13.970 4.164 278 1HD1 LEU 32 1HD1 LEU 32 -2.346 12.457 5.192 279 2HD1 LEU 32 2HD1 LEU 32 -3.641 13.068 6.250 280 3HD1 LEU 32 3HD1 LEU 32 -3.695 11.391 5.652 281 1HD2 LEU 32 1HD2 LEU 32 -2.979 13.194 2.429 282 2HD2 LEU 32 2HD2 LEU 32 -2.918 11.538 3.083 283 3HD2 LEU 32 3HD2 LEU 32 -4.352 12.087 2.181 284 H GLY 33 H GLY 33 -8.561 11.630 5.996 285 1HA GLY 33 1HA GLY 33 -10.798 12.262 6.078 286 2HA GLY 33 2HA GLY 33 -10.449 13.690 5.123 287 H MET 34 H MET 34 -8.880 10.806 3.966 288 HA MET 34 HA MET 34 -11.081 10.337 2.121 289 1HB MET 34 1HB MET 34 -8.106 10.569 1.398 290 2HB MET 34 2HB MET 34 -9.382 10.172 0.266 291 1HG MET 34 1HG MET 34 -9.257 12.461 -0.117 292 2HG MET 34 2HG MET 34 -10.449 12.465 1.168 293 1HE MET 34 1HE MET 34 -6.952 14.898 0.990 294 2HE MET 34 2HE MET 34 -6.389 13.269 0.553 295 3HE MET 34 3HE MET 34 -7.818 13.960 -0.251 296 H MET 35 H MET 35 -11.204 8.162 1.269 297 HA MET 35 HA MET 35 -9.799 6.297 2.980 298 1HB MET 35 1HB MET 35 -12.448 6.499 2.039 299 2HB MET 35 2HB MET 35 -11.777 5.239 1.024 300 1HG MET 35 1HG MET 35 -10.872 4.187 3.242 301 2HG MET 35 2HG MET 35 -11.966 5.283 4.062 302 1HE MET 35 1HE MET 35 -13.196 2.406 4.837 303 2HE MET 35 2HE MET 35 -13.024 1.344 3.419 304 3HE MET 35 3HE MET 35 -11.624 2.273 4.011 305 H THR 36 H THR 36 -7.816 5.698 2.182 306 HA THR 36 HA THR 36 -7.185 5.746 -0.564 307 HB THR 36 HB THR 36 -5.089 4.647 0.266 308 HG1 THR 36 HG1 THR 36 -5.164 3.921 2.487 309 1HG2 THR 36 1HG2 THR 36 -5.725 7.166 0.870 310 2HG2 THR 36 2HG2 THR 36 -5.925 6.507 2.512 311 3HG2 THR 36 3HG2 THR 36 -4.351 6.385 1.688 312 H THR 37 H THR 37 -6.731 4.020 -2.031 313 HA THR 37 HA THR 37 -8.105 1.515 -1.336 314 HB THR 37 HB THR 37 -8.476 3.388 -3.696 315 HG1 THR 37 HG1 THR 37 -9.875 3.136 -1.687 316 1HG2 THR 37 1HG2 THR 37 -7.934 1.080 -4.628 317 2HG2 THR 37 2HG2 THR 37 -9.248 0.425 -3.622 318 3HG2 THR 37 3HG2 THR 37 -9.614 1.586 -4.920 319 H VAL 38 H VAL 38 -7.439 -0.345 -2.710 320 HA VAL 38 HA VAL 38 -4.658 0.016 -3.589 321 HB VAL 38 HB VAL 38 -5.917 -2.217 -1.994 322 1HG1 VAL 38 1HG1 VAL 38 -4.387 -2.988 -3.888 323 2HG1 VAL 38 2HG1 VAL 38 -3.065 -2.185 -3.007 324 3HG1 VAL 38 3HG1 VAL 38 -3.959 -3.523 -2.245 325 1HG2 VAL 38 1HG2 VAL 38 -5.252 -0.466 -0.543 326 2HG2 VAL 38 2HG2 VAL 38 -3.946 -1.673 -0.466 327 3HG2 VAL 38 3HG2 VAL 38 -3.736 -0.194 -1.434 328 H SER 39 H SER 39 -5.363 0.342 -5.771 329 HA SER 39 HA SER 39 -6.903 -1.813 -6.910 330 1HB SER 39 1HB SER 39 -6.730 0.959 -7.397 331 2HB SER 39 2HB SER 39 -5.950 0.232 -8.788 332 HG SER 39 HG SER 39 -8.342 -1.033 -8.015 333 H GLY 40 H GLY 40 -4.122 -2.253 -5.917 334 1HA GLY 40 1HA GLY 40 -3.110 -3.752 -8.072 335 2HA GLY 40 2HA GLY 40 -2.230 -2.238 -7.979 336 H VAL 41 H VAL 41 -1.653 -5.246 -7.267 337 HA VAL 41 HA VAL 41 -0.143 -4.584 -4.894 338 HB VAL 41 HB VAL 41 -2.287 -5.321 -3.993 339 1HG1 VAL 41 1HG1 VAL 41 -2.312 -8.094 -4.540 340 2HG1 VAL 41 2HG1 VAL 41 -3.491 -6.866 -5.060 341 3HG1 VAL 41 3HG1 VAL 41 -2.112 -7.277 -6.109 342 1HG2 VAL 41 1HG2 VAL 41 0.244 -6.282 -3.318 343 2HG2 VAL 41 2HG2 VAL 41 -1.214 -6.313 -2.299 344 3HG2 VAL 41 3HG2 VAL 41 -0.796 -7.727 -3.297 345 H GLU 42 H GLU 42 1.836 -5.590 -4.934 346 HA GLU 42 HA GLU 42 2.076 -7.914 -6.647 347 1HB GLU 42 1HB GLU 42 3.791 -5.404 -6.883 348 2HB GLU 42 2HB GLU 42 4.205 -6.937 -7.625 349 1HG GLU 42 1HG GLU 42 2.579 -6.751 -9.253 350 2HG GLU 42 2HG GLU 42 1.423 -6.006 -8.167 351 HE2 GLU 42 HE GLU 42 1.888 -3.948 -10.563 352 H MET 43 H MET 43 3.117 -9.508 -5.535 353 HA MET 43 HA MET 43 4.966 -8.618 -3.457 354 1HB MET 43 1HB MET 43 3.710 -11.309 -3.143 355 2HB MET 43 2HB MET 43 3.950 -10.057 -1.939 356 1HG MET 43 1HG MET 43 2.040 -8.759 -3.159 357 2HG MET 43 2HG MET 43 1.700 -10.268 -3.982 358 1HE MET 43 1HE MET 43 0.765 -8.588 -0.190 359 2HE MET 43 2HE MET 43 0.618 -8.128 -1.904 360 3HE MET 43 3HE MET 43 -0.671 -9.073 -1.125 361 H SER 44 H SER 44 6.991 -9.002 -4.285 362 HA SER 44 HA SER 44 7.338 -11.544 -5.666 363 1HB SER 44 1HB SER 44 8.546 -8.820 -5.998 364 2HB SER 44 2HB SER 44 9.615 -10.183 -6.272 365 HG SER 44 HG SER 44 7.526 -9.227 -7.841 366 H ARG 45 H ARG 45 8.067 -13.062 -4.205 367 HA ARG 45 HA ARG 45 9.912 -12.123 -2.178 368 1HB ARG 45 1HB ARG 45 7.840 -14.230 -2.329 369 2HB ARG 45 2HB ARG 45 9.340 -14.827 -1.645 370 1HG ARG 45 1HG ARG 45 8.872 -13.802 0.319 371 2HG ARG 45 2HG ARG 45 8.856 -12.242 -0.482 372 1HD ARG 45 1HD ARG 45 6.678 -12.399 0.450 373 2HD ARG 45 2HD ARG 45 6.428 -12.844 -1.226 374 HE ARG 45 HE ARG 45 7.033 -15.166 0.423 375 1HH1 ARG 45 2HH2 ARG 45 4.422 -12.974 -0.543 376 2HH1 ARG 45 1HH2 ARG 45 3.169 -14.127 -0.224 377 1HH2 ARG 45 1HH ARG 45 3.756 -16.303 0.591 378 H ASP 46 H ASP 46 9.915 -13.491 -5.258 379 HA ASP 46 HA ASP 46 11.535 -15.629 -5.197 380 1HB ASP 46 1HB ASP 46 11.053 -13.377 -7.094 381 2HB ASP 46 2HB ASP 46 12.550 -14.247 -7.365 382 HD2 ASP 46 HD ASP 46 11.210 -14.617 -9.351 383 H LEU 47 H LEU 47 12.243 -12.284 -4.358 384 HA LEU 47 HA LEU 47 14.975 -13.042 -3.727 385 1HB LEU 47 1HB LEU 47 14.198 -11.189 -5.870 386 2HB LEU 47 2HB LEU 47 15.346 -10.518 -4.728 387 HG LEU 47 HG LEU 47 15.911 -13.238 -5.831 388 1HD1 LEU 47 1HD1 LEU 47 16.709 -10.830 -7.443 389 2HD1 LEU 47 2HD1 LEU 47 16.642 -12.543 -7.916 390 3HD1 LEU 47 3HD1 LEU 47 15.136 -11.618 -7.710 391 1HD2 LEU 47 1HD2 LEU 47 17.966 -12.870 -5.044 392 2HD2 LEU 47 2HD2 LEU 47 18.045 -11.241 -5.758 393 3HD2 LEU 47 3HD2 LEU 47 17.258 -11.484 -4.180 394 H ALA 48 H ALA 48 13.028 -9.978 -3.891 395 HA ALA 48 HA ALA 48 12.224 -9.863 -1.295 396 1HB ALA 48 1HB ALA 48 14.077 -8.236 -0.427 397 2HB ALA 48 2HB ALA 48 14.373 -9.990 -0.363 398 3HB ALA 48 3HB ALA 48 15.100 -9.010 -1.660 399 H TYR 49 H TYR 49 10.656 -9.014 -2.962 400 HA TYR 49 HA TYR 49 10.856 -6.131 -2.995 401 1HB TYR 49 1HB TYR 49 10.349 -7.790 -5.532 402 2HB TYR 49 2HB TYR 49 10.606 -6.057 -5.457 403 HD1 TYR 49 HD1 TYR 49 12.973 -5.379 -4.336 404 HD2 TYR 49 HD2 TYR 49 12.115 -9.099 -6.269 405 HE1 TYR 49 HE1 TYR 49 15.453 -5.736 -4.770 406 HE2 TYR 49 HE2 TYR 49 14.598 -9.442 -6.695 407 HH TYR 49 HH TYR 49 16.926 -6.915 -5.918 408 H ALA 50 H ALA 50 8.832 -5.141 -2.970 409 HA ALA 50 HA ALA 50 6.509 -6.699 -3.676 410 1HB ALA 50 1HB ALA 50 7.342 -6.138 -0.856 411 2HB ALA 50 2HB ALA 50 5.618 -5.947 -1.256 412 3HB ALA 50 3HB ALA 50 6.428 -7.510 -1.525 413 H LYS 51 H LYS 51 5.425 -5.296 -4.957 414 HA LYS 51 HA LYS 51 5.525 -2.464 -4.184 415 1HB LYS 51 1HB LYS 51 4.643 -2.795 -6.878 416 2HB LYS 51 2HB LYS 51 6.086 -2.001 -6.282 417 1HG LYS 51 1HG LYS 51 7.191 -4.301 -6.132 418 2HG LYS 51 2HG LYS 51 5.782 -4.968 -6.932 419 1HD LYS 51 1HD LYS 51 7.283 -4.573 -8.720 420 2HD LYS 51 2HD LYS 51 6.206 -3.193 -8.791 421 1HE LYS 51 1HE LYS 51 8.035 -2.127 -7.122 422 2HE LYS 51 2HE LYS 51 9.078 -3.318 -7.873 423 1HZ LYS 51 1HZ LYS 51 8.993 -1.128 -9.052 424 2HZ LYS 51 2HZ LYS 51 8.609 -2.379 -10.022 425 H VAL 52 H VAL 52 3.693 -1.664 -3.320 426 HA VAL 52 HA VAL 52 1.190 -3.005 -4.084 427 HB VAL 52 HB VAL 52 2.184 -3.234 -1.683 428 1HG1 VAL 52 1HG1 VAL 52 0.833 -0.523 -1.460 429 2HG1 VAL 52 2HG1 VAL 52 1.521 -1.484 -0.130 430 3HG1 VAL 52 3HG1 VAL 52 2.589 -0.805 -1.382 431 1HG2 VAL 52 1HG2 VAL 52 -0.702 -2.471 -2.237 432 2HG2 VAL 52 2HG2 VAL 52 0.013 -4.101 -2.302 433 3HG2 VAL 52 3HG2 VAL 52 -0.128 -3.251 -0.743 434 H TYR 53 H TYR 53 -0.372 -1.729 -4.980 435 HA TYR 53 HA TYR 53 0.311 1.037 -5.430 436 1HB TYR 53 1HB TYR 53 -1.100 -1.097 -6.686 437 2HB TYR 53 2HB TYR 53 -2.380 -0.017 -6.172 438 HD1 TYR 53 HD1 TYR 53 -3.142 1.355 -7.868 439 HD2 TYR 53 HD2 TYR 53 1.034 0.443 -7.685 440 HE1 TYR 53 HE1 TYR 53 -2.726 2.811 -9.911 441 HE2 TYR 53 HE2 TYR 53 1.436 1.900 -9.728 442 HH TYR 53 HH TYR 53 -1.262 3.297 -11.502 443 H VAL 54 H VAL 54 -1.054 2.849 -4.896 444 HA VAL 54 HA VAL 54 -3.226 2.369 -3.053 445 HB VAL 54 HB VAL 54 -1.942 4.250 -1.613 446 1HG1 VAL 54 1HG1 VAL 54 -1.415 1.295 -1.198 447 2HG1 VAL 54 2HG1 VAL 54 -1.573 2.569 0.033 448 3HG1 VAL 54 3HG1 VAL 54 -2.997 2.054 -0.902 449 1HG2 VAL 54 1HG2 VAL 54 0.232 2.463 -2.752 450 2HG2 VAL 54 2HG2 VAL 54 0.101 4.232 -2.900 451 3HG2 VAL 54 3HG2 VAL 54 0.420 3.493 -1.312 452 H THR 55 H THR 55 -4.838 3.630 -3.810 453 HA THR 55 HA THR 55 -4.057 6.121 -5.170 454 HB THR 55 HB THR 55 -5.251 4.974 -6.801 455 HG1 THR 55 HG1 THR 55 -7.317 5.921 -6.691 456 1HG2 THR 55 1HG2 THR 55 -5.619 2.843 -5.712 457 2HG2 THR 55 2HG2 THR 55 -6.655 3.585 -4.469 458 3HG2 THR 55 3HG2 THR 55 -7.237 3.447 -6.146 459 H PHE 56 H PHE 56 -4.539 8.032 -4.285 460 HA PHE 56 HA PHE 56 -6.481 7.972 -2.084 461 1HB PHE 56 1HB PHE 56 -4.193 9.953 -2.596 462 2HB PHE 56 2HB PHE 56 -5.080 9.749 -1.098 463 HD1 PHE 56 HD1 PHE 56 -4.175 8.433 0.581 464 HD2 PHE 56 HD2 PHE 56 -2.845 7.859 -3.406 465 HE1 PHE 56 HE1 PHE 56 -2.427 6.824 1.395 466 HE2 PHE 56 HE2 PHE 56 -1.097 6.250 -2.593 467 HZ PHE 56 HZ PHE 56 -0.910 5.752 -0.202 468 H LEU 57 H LEU 57 -7.538 10.188 -1.691 469 HA LEU 57 HA LEU 57 -8.234 11.295 -4.315 470 1HB LEU 57 1HB LEU 57 -10.016 10.194 -2.994 471 2HB LEU 57 2HB LEU 57 -9.770 11.366 -1.715 472 HG LEU 57 HG LEU 57 -10.206 13.061 -3.773 473 1HD1 LEU 57 1HD1 LEU 57 -11.358 12.258 -5.515 474 2HD1 LEU 57 2HD1 LEU 57 -10.705 10.677 -5.021 475 3HD1 LEU 57 3HD1 LEU 57 -12.334 11.169 -4.498 476 1HD2 LEU 57 1HD2 LEU 57 -11.981 13.661 -2.553 477 2HD2 LEU 57 2HD2 LEU 57 -12.736 12.054 -2.682 478 3HD2 LEU 57 3HD2 LEU 57 -11.486 12.353 -1.450 479 H ASN 58 H ASN 58 -5.777 11.932 -2.716 480 HA ASN 58 HA ASN 58 -6.212 14.380 -1.442 481 1HB ASN 58 1HB ASN 58 -3.931 12.661 -2.189 482 2HB ASN 58 2HB ASN 58 -3.529 14.359 -2.353 483 1HD2 ASN 58 1HD2 ASN 58 -5.041 15.530 -0.404 484 2HD2 ASN 58 2HD2 ASN 58 -4.523 15.026 1.170 485 H ASP 59 H ASP 59 -5.572 13.307 -4.782 486 HA ASP 59 HA ASP 59 -4.479 15.329 -6.032 487 1HB ASP 59 1HB ASP 59 -5.243 13.579 -7.409 488 2HB ASP 59 2HB ASP 59 -6.858 13.609 -6.729 489 HD2 ASP 59 HD ASP 59 -5.029 16.172 -8.519 490 H LYS 60 H LYS 60 -7.900 15.181 -4.859 491 HA LYS 60 HA LYS 60 -9.056 17.324 -5.935 492 1HB LYS 60 1HB LYS 60 -9.196 16.047 -3.249 493 2HB LYS 60 2HB LYS 60 -9.952 17.620 -3.412 494 1HG LYS 60 1HG LYS 60 -10.663 16.107 -5.748 495 2HG LYS 60 2HG LYS 60 -10.899 15.053 -4.369 496 1HD LYS 60 1HD LYS 60 -11.923 17.904 -4.255 497 2HD LYS 60 2HD LYS 60 -12.839 16.696 -5.135 498 1HE LYS 60 1HE LYS 60 -13.079 15.307 -3.145 499 2HE LYS 60 2HE LYS 60 -11.930 16.284 -2.251 500 1HZ LYS 60 1HZ LYS 60 -13.462 18.085 -2.193 501 2HZ LYS 60 2HZ LYS 60 -14.443 17.436 -3.320 502 H ASP 61 H ASP 61 -6.567 17.378 -3.333 503 HA ASP 61 HA ASP 61 -6.334 20.229 -3.888 504 1HB ASP 61 1HB ASP 61 -5.457 19.222 -1.212 505 2HB ASP 61 2HB ASP 61 -6.206 20.750 -1.631 506 HD2 ASP 61 HD ASP 61 -8.289 20.717 -0.427 507 H GLU 62 H GLU 62 -4.308 20.597 -4.799 508 HA GLU 62 HA GLU 62 -2.367 18.589 -4.822 509 1HB GLU 62 1HB GLU 62 -2.816 20.562 -6.489 510 2HB GLU 62 2HB GLU 62 -1.800 21.508 -5.422 511 1HG GLU 62 1HG GLU 62 0.077 19.961 -5.725 512 2HG GLU 62 2HG GLU 62 -0.931 18.835 -6.612 513 HE2 GLU 62 HE GLU 62 1.304 20.074 -8.203 514 H ASP 63 H ASP 63 -3.189 21.061 -2.520 515 HA ASP 63 HA ASP 63 -0.614 21.457 -1.484 516 1HB ASP 63 1HB ASP 63 -3.162 22.550 -1.107 517 2HB ASP 63 2HB ASP 63 -2.870 21.734 0.417 518 HD2 ASP 63 HD ASP 63 -1.797 23.240 1.889 519 H ALA 64 H ALA 64 -3.451 19.350 -0.689 520 HA ALA 64 HA ALA 64 -2.113 18.164 1.559 521 1HB ALA 64 1HB ALA 64 -4.581 18.556 1.436 522 2HB ALA 64 2HB ALA 64 -4.673 17.365 0.117 523 3HB ALA 64 3HB ALA 64 -4.161 16.853 1.743 524 H VAL 65 H VAL 65 -2.211 17.746 -1.897 525 HA VAL 65 HA VAL 65 -1.665 14.946 -1.881 526 HB VAL 65 HB VAL 65 -2.507 16.823 -3.711 527 1HG1 VAL 65 1HG1 VAL 65 -0.148 17.545 -4.043 528 2HG1 VAL 65 2HG1 VAL 65 0.251 15.895 -4.579 529 3HG1 VAL 65 3HG1 VAL 65 -0.894 16.884 -5.518 530 1HG2 VAL 65 1HG2 VAL 65 -3.307 14.850 -4.395 531 2HG2 VAL 65 2HG2 VAL 65 -1.759 14.609 -5.242 532 3HG2 VAL 65 3HG2 VAL 65 -1.984 13.960 -3.600 533 H LYS 66 H LYS 66 0.255 17.992 -2.119 534 HA LYS 66 HA LYS 66 2.708 16.569 -2.438 535 1HB LYS 66 1HB LYS 66 1.838 19.145 -2.922 536 2HB LYS 66 2HB LYS 66 2.851 19.355 -1.508 537 1HG LYS 66 1HG LYS 66 4.655 19.271 -2.879 538 2HG LYS 66 2HG LYS 66 4.316 17.569 -3.127 539 1HD LYS 66 1HD LYS 66 2.612 19.375 -4.761 540 2HD LYS 66 2HD LYS 66 4.321 19.506 -5.120 541 1HE LYS 66 1HE LYS 66 3.873 16.722 -4.894 542 2HE LYS 66 2HE LYS 66 2.458 17.321 -5.740 543 1HZ LYS 66 1HZ LYS 66 5.196 18.090 -6.574 544 2HZ LYS 66 2HZ LYS 66 4.461 16.763 -7.166 545 H ALA 67 H ALA 67 1.133 18.417 0.260 546 HA ALA 67 HA ALA 67 3.142 17.840 2.125 547 1HB ALA 67 1HB ALA 67 1.826 19.071 3.529 548 2HB ALA 67 2HB ALA 67 0.984 19.488 2.017 549 3HB ALA 67 3HB ALA 67 0.341 18.204 3.069 550 H GLY 68 H GLY 68 -0.091 16.307 1.499 551 1HA GLY 68 1HA GLY 68 0.012 14.342 3.438 552 2HA GLY 68 2HA GLY 68 -0.838 14.227 1.910 553 H ILE 69 H ILE 69 0.856 13.939 -0.084 554 HA ILE 69 HA ILE 69 1.900 11.395 0.199 555 HB ILE 69 HB ILE 69 1.233 12.766 -1.878 556 1HG1 ILE 69 1HG1 ILE 69 3.699 11.015 -2.052 557 2HG1 ILE 69 2HG1 ILE 69 2.083 10.396 -1.783 558 1HG2 ILE 69 1HG2 ILE 69 3.075 14.504 -1.283 559 2HG2 ILE 69 2HG2 ILE 69 4.171 13.354 -2.085 560 3HG2 ILE 69 3HG2 ILE 69 2.804 14.053 -2.984 561 1HD1 ILE 69 1HD1 ILE 69 1.932 10.323 -4.057 562 2HD1 ILE 69 2HD1 ILE 69 1.687 12.083 -3.956 563 3HD1 ILE 69 3HD1 ILE 69 3.312 11.427 -4.268 564 H LYS 70 H LYS 70 3.271 14.578 0.928 565 HA LYS 70 HA LYS 70 5.967 13.731 0.979 566 1HB LYS 70 1HB LYS 70 5.559 16.038 0.687 567 2HB LYS 70 2HB LYS 70 4.472 16.120 2.058 568 1HG LYS 70 1HG LYS 70 6.432 15.525 3.568 569 2HG LYS 70 2HG LYS 70 7.484 15.626 2.170 570 1HD LYS 70 1HD LYS 70 5.681 17.978 2.638 571 2HD LYS 70 2HD LYS 70 6.964 17.745 3.810 572 1HE LYS 70 1HE LYS 70 7.953 19.127 2.142 573 2HE LYS 70 2HE LYS 70 8.573 17.526 1.787 574 1HZ LYS 70 1HZ LYS 70 6.737 19.135 0.235 575 2HZ LYS 70 2HZ LYS 70 7.760 17.973 -0.269 576 H ALA 71 H ALA 71 3.243 13.621 3.264 577 HA ALA 71 HA ALA 71 4.960 12.938 5.474 578 1HB ALA 71 1HB ALA 71 2.718 12.620 6.614 579 2HB ALA 71 2HB ALA 71 2.987 14.242 5.932 580 3HB ALA 71 3HB ALA 71 1.948 13.077 5.075 581 H LEU 72 H LEU 72 2.602 11.310 3.265 582 HA LEU 72 HA LEU 72 2.674 8.815 4.445 583 1HB LEU 72 1HB LEU 72 1.049 9.465 2.788 584 2HB LEU 72 2HB LEU 72 2.293 9.634 1.565 585 HG LEU 72 HG LEU 72 2.694 7.253 1.534 586 1HD1 LEU 72 1HD1 LEU 72 2.273 6.956 4.016 587 2HD1 LEU 72 2HD1 LEU 72 0.541 6.872 3.619 588 3HD1 LEU 72 3HD1 LEU 72 1.667 5.666 2.951 589 1HD2 LEU 72 1HD2 LEU 72 -0.176 6.934 1.435 590 2HD2 LEU 72 2HD2 LEU 72 0.310 8.492 0.728 591 3HD2 LEU 72 3HD2 LEU 72 1.013 6.979 0.112 592 H GLN 73 H GLN 73 4.976 10.437 2.243 593 HA GLN 73 HA GLN 73 6.456 8.054 1.824 594 1HB GLN 73 1HB GLN 73 8.064 9.547 0.672 595 2HB GLN 73 2HB GLN 73 6.421 9.844 0.135 596 1HG GLN 73 1HG GLN 73 6.271 11.770 1.760 597 2HG GLN 73 2HG GLN 73 7.941 11.490 2.213 598 1HE2 GLN 73 1HE2 GLN 73 9.307 12.802 1.301 599 2HE2 GLN 73 2HE2 GLN 73 9.221 13.484 -0.289 600 H GLU 74 H GLU 74 6.847 11.054 3.815 601 HA GLU 74 HA GLU 74 9.312 10.489 4.838 602 1HB GLU 74 1HB GLU 74 8.938 12.333 6.135 603 2HB GLU 74 2HB GLU 74 7.502 12.502 5.146 604 1HG GLU 74 1HG GLU 74 6.196 11.181 6.837 605 2HG GLU 74 2HG GLU 74 7.632 11.052 7.833 606 HE2 GLU 74 HE GLU 74 7.999 13.704 9.038 607 H ALA 75 H ALA 75 6.269 8.878 5.384 608 HA ALA 75 HA ALA 75 7.394 7.546 7.749 609 1HB ALA 75 1HB ALA 75 5.141 8.858 7.809 610 2HB ALA 75 2HB ALA 75 4.491 7.469 6.906 611 3HB ALA 75 3HB ALA 75 5.198 7.228 8.522 612 H SER 76 H SER 76 7.790 7.166 4.671 613 HA SER 76 HA SER 76 6.492 4.906 3.861 614 1HB SER 76 1HB SER 76 7.863 6.295 2.366 615 2HB SER 76 2HB SER 76 9.320 5.857 3.233 616 HG SER 76 HG SER 76 9.252 3.786 2.412 617 H GLY 77 H GLY 77 9.967 4.972 4.950 618 1HA GLY 77 1HA GLY 77 10.353 2.302 5.319 619 2HA GLY 77 2HA GLY 77 11.137 3.556 6.257 620 H PHE 78 H PHE 78 8.282 4.451 7.188 621 HA PHE 78 HA PHE 78 8.327 2.888 9.564 622 1HB PHE 78 1HB PHE 78 7.248 5.368 8.489 623 2HB PHE 78 2HB PHE 78 5.898 4.460 9.142 624 HD1 PHE 78 HD1 PHE 78 9.255 5.783 10.026 625 HD2 PHE 78 HD2 PHE 78 5.490 4.437 11.448 626 HE1 PHE 78 HE1 PHE 78 9.847 6.566 12.336 627 HE2 PHE 78 HE2 PHE 78 6.083 5.219 13.758 628 HZ PHE 78 HZ PHE 78 8.254 6.275 14.174 629 H ILE 79 H ILE 79 6.133 3.194 6.705 630 HA ILE 79 HA ILE 79 4.240 1.356 7.742 631 HB ILE 79 HB ILE 79 3.447 1.383 5.332 632 1HG1 ILE 79 1HG1 ILE 79 5.426 3.649 5.019 633 2HG1 ILE 79 2HG1 ILE 79 5.762 2.022 4.460 634 1HG2 ILE 79 1HG2 ILE 79 2.161 2.755 6.599 635 2HG2 ILE 79 2HG2 ILE 79 3.553 3.653 7.251 636 3HG2 ILE 79 3HG2 ILE 79 2.959 4.001 5.609 637 1HD1 ILE 79 1HD1 ILE 79 4.820 2.996 2.544 638 2HD1 ILE 79 2HD1 ILE 79 3.397 2.220 3.280 639 3HD1 ILE 79 3HD1 ILE 79 3.663 3.968 3.486 640 H ARG 80 H ARG 80 7.106 1.142 5.584 641 HA ARG 80 HA ARG 80 6.635 -1.492 4.838 642 1HB ARG 80 1HB ARG 80 8.178 -0.280 3.488 643 2HB ARG 80 2HB ARG 80 9.067 0.323 4.872 644 1HG ARG 80 1HG ARG 80 10.155 -1.768 5.247 645 2HG ARG 80 2HG ARG 80 8.980 -2.659 4.299 646 1HD ARG 80 1HD ARG 80 10.697 -2.548 2.736 647 2HD ARG 80 2HD ARG 80 9.862 -1.064 2.324 648 HE ARG 80 HE ARG 80 12.462 -1.295 3.685 649 1HH1 ARG 80 2HH2 ARG 80 9.736 0.838 2.927 650 2HH1 ARG 80 1HH2 ARG 80 10.644 2.292 3.177 651 1HH2 ARG 80 1HH ARG 80 12.948 2.142 3.819 652 H SER 81 H SER 81 8.653 0.023 7.440 653 HA SER 81 HA SER 81 9.633 -2.441 8.359 654 1HB SER 81 1HB SER 81 9.487 0.316 9.650 655 2HB SER 81 2HB SER 81 10.304 -1.045 10.392 656 HG SER 81 HG SER 81 11.411 -1.116 8.093 657 H LEU 82 H LEU 82 6.766 -0.431 9.027 658 HA LEU 82 HA LEU 82 6.062 -1.669 11.459 659 1HB LEU 82 1HB LEU 82 5.244 0.505 10.892 660 2HB LEU 82 2HB LEU 82 4.507 -0.087 9.417 661 HG LEU 82 HG LEU 82 3.525 -1.452 11.827 662 1HD1 LEU 82 1HD1 LEU 82 3.454 0.385 13.125 663 2HD1 LEU 82 2HD1 LEU 82 3.616 1.503 11.749 664 3HD1 LEU 82 3HD1 LEU 82 2.033 0.788 12.133 665 1HD2 LEU 82 1HD2 LEU 82 1.967 -1.891 10.306 666 2HD2 LEU 82 2HD2 LEU 82 1.430 -0.201 10.451 667 3HD2 LEU 82 3HD2 LEU 82 2.611 -0.654 9.200 668 H LEU 83 H LEU 83 5.543 -2.437 8.013 669 HA LEU 83 HA LEU 83 3.555 -4.395 8.499 670 1HB LEU 83 1HB LEU 83 5.372 -3.822 6.159 671 2HB LEU 83 2HB LEU 83 4.160 -5.088 6.148 672 HG LEU 83 HG LEU 83 3.331 -2.283 6.817 673 1HD1 LEU 83 1HD1 LEU 83 2.879 -1.977 4.332 674 2HD1 LEU 83 2HD1 LEU 83 4.569 -1.824 4.866 675 3HD1 LEU 83 3HD1 LEU 83 4.022 -3.316 4.066 676 1HD2 LEU 83 1HD2 LEU 83 1.313 -3.161 5.423 677 2HD2 LEU 83 2HD2 LEU 83 2.030 -4.762 5.733 678 3HD2 LEU 83 3HD2 LEU 83 1.548 -3.723 7.096 679 H GLY 84 H GLY 84 7.098 -4.616 7.707 680 1HA GLY 84 1HA GLY 84 7.440 -7.314 7.847 681 2HA GLY 84 2HA GLY 84 8.636 -6.134 8.345 682 H LYS 85 H LYS 85 7.563 -4.960 10.618 683 HA LYS 85 HA LYS 85 7.980 -7.012 12.524 684 1HB LYS 85 1HB LYS 85 7.735 -4.092 12.471 685 2HB LYS 85 2HB LYS 85 7.006 -4.805 13.895 686 1HG LYS 85 1HG LYS 85 9.265 -6.249 13.930 687 2HG LYS 85 2HG LYS 85 9.883 -4.915 12.977 688 1HD LYS 85 1HD LYS 85 8.455 -4.543 15.651 689 2HD LYS 85 2HD LYS 85 10.196 -4.684 15.504 690 1HE LYS 85 1HE LYS 85 8.712 -2.630 13.835 691 2HE LYS 85 2HE LYS 85 9.068 -2.286 15.517 692 1HZ LYS 85 1HZ LYS 85 11.433 -2.725 15.025 693 2HZ LYS 85 2HZ LYS 85 11.089 -2.999 13.456 694 H ALA 86 H ALA 86 5.117 -5.225 11.275 695 HA ALA 86 HA ALA 86 3.287 -6.217 13.131 696 1HB ALA 86 1HB ALA 86 2.715 -4.331 11.778 697 2HB ALA 86 2HB ALA 86 3.052 -5.218 10.272 698 3HB ALA 86 3HB ALA 86 1.637 -5.651 11.262 699 H MET 87 H MET 87 4.793 -7.620 10.234 700 HA MET 87 HA MET 87 3.063 -9.941 10.587 701 1HB MET 87 1HB MET 87 3.705 -8.446 8.287 702 2HB MET 87 2HB MET 87 4.779 -9.825 8.160 703 1HG MET 87 1HG MET 87 2.655 -11.276 8.676 704 2HG MET 87 2HG MET 87 1.740 -9.828 8.306 705 1HE MET 87 1HE MET 87 1.374 -9.343 5.076 706 2HE MET 87 2HE MET 87 1.954 -8.475 6.517 707 3HE MET 87 3HE MET 87 3.020 -8.664 5.104 708 H ARG 88 H ARG 88 5.797 -8.942 11.872 709 HA ARG 88 HA ARG 88 7.889 -9.736 12.074 710 1HB ARG 88 1HB ARG 88 5.866 -11.667 13.218 711 2HB ARG 88 2HB ARG 88 7.559 -12.109 13.324 712 1HG ARG 88 1HG ARG 88 7.951 -9.733 14.307 713 2HG ARG 88 2HG ARG 88 6.209 -9.633 14.474 714 1HD ARG 88 1HD ARG 88 7.140 -12.192 15.521 715 2HD ARG 88 2HD ARG 88 8.055 -10.890 16.257 716 HE ARG 88 HE ARG 88 5.148 -10.426 16.160 717 1HH1 ARG 88 2HH2 ARG 88 7.848 -11.708 18.063 718 2HH1 ARG 88 1HH2 ARG 88 7.004 -11.588 19.571 719 1HH2 ARG 88 1HH ARG 88 4.764 -10.739 19.598 720 H LEU 89 H LEU 89 8.444 -10.015 9.731 721 HA LEU 89 HA LEU 89 8.635 -12.867 9.054 722 1HB LEU 89 1HB LEU 89 7.398 -10.689 7.599 723 2HB LEU 89 2HB LEU 89 8.691 -11.415 6.666 724 HG LEU 89 HG LEU 89 6.760 -13.282 7.952 725 1HD1 LEU 89 1HD1 LEU 89 5.487 -12.791 5.578 726 2HD1 LEU 89 2HD1 LEU 89 4.967 -12.194 7.172 727 3HD1 LEU 89 3HD1 LEU 89 5.937 -11.152 6.104 728 1HD2 LEU 89 1HD2 LEU 89 8.799 -13.409 6.000 729 2HD2 LEU 89 2HD2 LEU 89 7.731 -14.714 6.569 730 3HD2 LEU 89 3HD2 LEU 89 7.261 -13.729 5.162 731 H ARG 90 H ARG 90 10.379 -12.877 7.008 732 HA ARG 90 HA ARG 90 12.638 -11.387 8.082 733 1HB ARG 90 1HB ARG 90 14.085 -13.278 7.623 734 2HB ARG 90 2HB ARG 90 12.694 -13.911 8.479 735 1HG ARG 90 1HG ARG 90 11.655 -14.451 6.199 736 2HG ARG 90 2HG ARG 90 13.188 -14.013 5.469 737 1HD ARG 90 1HD ARG 90 13.287 -15.977 7.746 738 2HD ARG 90 2HD ARG 90 12.608 -16.553 6.237 739 HE ARG 90 HE ARG 90 14.723 -16.326 5.192 740 1HH1 ARG 90 2HH2 ARG 90 14.808 -14.954 8.458 741 2HH1 ARG 90 1HH2 ARG 90 16.534 -14.825 8.494 742 1HH2 ARG 90 1HH ARG 90 17.804 -15.539 6.590 743 H ILE 91 H ILE 91 11.017 -12.840 5.213 744 HA ILE 91 HA ILE 91 12.674 -12.321 3.190 745 HB ILE 91 HB ILE 91 10.534 -11.660 1.911 746 1HG1 ILE 91 1HG1 ILE 91 8.934 -12.814 4.107 747 2HG1 ILE 91 2HG1 ILE 91 9.534 -11.199 4.424 748 1HG2 ILE 91 1HG2 ILE 91 11.269 -14.235 3.205 749 2HG2 ILE 91 2HG2 ILE 91 9.665 -14.134 2.442 750 3HG2 ILE 91 3HG2 ILE 91 11.127 -13.806 1.484 751 1HD1 ILE 91 1HD1 ILE 91 7.261 -11.761 2.970 752 2HD1 ILE 91 2HD1 ILE 91 8.186 -10.245 2.843 753 3HD1 ILE 91 3HD1 ILE 91 8.466 -11.560 1.676 754 H VAL 92 H VAL 92 10.969 -9.912 5.187 755 HA VAL 92 HA VAL 92 10.780 -7.658 4.809 756 HB VAL 92 HB VAL 92 13.754 -8.102 5.139 757 1HG1 VAL 92 1HG1 VAL 92 12.137 -5.854 6.341 758 2HG1 VAL 92 2HG1 VAL 92 13.892 -5.957 6.059 759 3HG1 VAL 92 3HG1 VAL 92 12.782 -5.739 4.686 760 1HG2 VAL 92 1HG2 VAL 92 13.374 -9.016 7.136 761 2HG2 VAL 92 2HG2 VAL 92 12.369 -7.627 7.618 762 3HG2 VAL 92 3HG2 VAL 92 11.629 -9.016 6.783 763 HA PRO 93 HA PRO 93 12.212 -7.629 0.461 764 1HB PRO 93 1HB PRO 93 9.795 -7.736 -0.807 765 2HB PRO 93 2HB PRO 93 10.798 -9.147 -0.537 766 1HG PRO 93 1HG PRO 93 8.325 -8.335 0.864 767 2HG PRO 93 2HG PRO 93 9.094 -9.909 0.819 768 1HD PRO 93 1HD PRO 93 9.164 -8.028 2.982 769 2HD PRO 93 2HD PRO 93 10.028 -9.550 2.889 770 H GLU 94 H GLU 94 11.731 -6.013 -1.336 771 HA GLU 94 HA GLU 94 11.634 -3.531 -0.048 772 1HB GLU 94 1HB GLU 94 12.723 -4.333 -2.345 773 2HB GLU 94 2HB GLU 94 11.192 -3.816 -3.021 774 1HG GLU 94 1HG GLU 94 11.480 -1.554 -2.173 775 2HG GLU 94 2HG GLU 94 12.856 -2.028 -1.196 776 HE2 GLU 94 HE GLU 94 11.823 -1.751 -4.491 777 H LEU 95 H LEU 95 9.429 -4.243 1.037 778 HA LEU 95 HA LEU 95 7.106 -4.110 -0.565 779 1HB LEU 95 1HB LEU 95 7.801 -4.732 2.099 780 2HB LEU 95 2HB LEU 95 6.636 -3.427 2.188 781 HG LEU 95 HG LEU 95 6.253 -6.090 0.794 782 1HD1 LEU 95 1HD1 LEU 95 5.807 -5.201 3.503 783 2HD1 LEU 95 2HD1 LEU 95 4.269 -5.662 2.737 784 3HD1 LEU 95 3HD1 LEU 95 5.618 -6.820 2.790 785 1HD2 LEU 95 1HD2 LEU 95 5.166 -3.980 -0.255 786 2HD2 LEU 95 2HD2 LEU 95 4.166 -5.424 0.034 787 3HD2 LEU 95 3HD2 LEU 95 4.080 -4.044 1.154 788 H THR 96 H THR 96 7.296 -2.237 -1.889 789 HA THR 96 HA THR 96 7.310 0.314 -0.443 790 HB THR 96 HB THR 96 8.717 -0.580 -2.665 791 HG1 THR 96 HG1 THR 96 7.699 2.126 -2.188 792 1HG2 THR 96 1HG2 THR 96 6.405 -0.353 -3.923 793 2HG2 THR 96 2HG2 THR 96 6.659 1.396 -3.715 794 3HG2 THR 96 3HG2 THR 96 7.838 0.430 -4.635 795 H PHE 97 H PHE 97 5.872 2.060 -1.551 796 HA PHE 97 HA PHE 97 3.301 0.837 -2.236 797 1HB PHE 97 1HB PHE 97 2.225 2.328 -0.631 798 2HB PHE 97 2HB PHE 97 3.575 1.613 0.228 799 HD1 PHE 97 HD1 PHE 97 5.698 2.956 0.488 800 HD2 PHE 97 HD2 PHE 97 2.084 4.666 -0.937 801 HE1 PHE 97 HE1 PHE 97 6.567 5.247 1.030 802 HE2 PHE 97 HE2 PHE 97 2.954 6.957 -0.395 803 HZ PHE 97 HZ PHE 97 5.186 7.220 0.583 804 H PHE 98 H PHE 98 2.668 1.572 -4.202 805 HA PHE 98 HA PHE 98 3.834 4.042 -5.170 806 1HB PHE 98 1HB PHE 98 2.786 1.499 -6.177 807 2HB PHE 98 2HB PHE 98 1.905 2.802 -6.952 808 HD1 PHE 98 HD1 PHE 98 2.754 3.599 -8.935 809 HD2 PHE 98 HD2 PHE 98 5.444 1.933 -6.108 810 HE1 PHE 98 HE1 PHE 98 4.649 3.922 -10.548 811 HE2 PHE 98 HE2 PHE 98 7.339 2.255 -7.719 812 HZ PHE 98 HZ PHE 98 6.920 3.246 -9.921 813 H TYR 99 H TYR 99 2.808 5.966 -4.934 814 HA TYR 99 HA TYR 99 0.009 5.959 -4.198 815 1HB TYR 99 1HB TYR 99 1.202 8.573 -4.671 816 2HB TYR 99 2HB TYR 99 0.812 7.855 -3.120 817 HD1 TYR 99 HD1 TYR 99 2.605 5.878 -2.451 818 HD2 TYR 99 HD2 TYR 99 3.389 9.276 -4.930 819 HE1 TYR 99 HE1 TYR 99 5.084 5.706 -1.914 820 HE2 TYR 99 HE2 TYR 99 5.866 9.092 -4.385 821 HH TYR 99 HH TYR 99 7.016 7.131 -1.864 822 H ASP 100 H ASP 100 -1.489 5.818 -5.803 823 HA ASP 100 HA ASP 100 -0.872 7.304 -8.235 824 1HB ASP 100 1HB ASP 100 -1.459 4.626 -8.006 825 2HB ASP 100 2HB ASP 100 -3.070 5.274 -8.238 826 HD2 ASP 100 HD ASP 100 -0.674 6.374 -11.191 827 H ASN 101 H ASN 101 -1.811 9.303 -7.368 828 HA ASN 101 HA ASN 101 -4.542 9.138 -6.473 829 1HB ASN 101 1HB ASN 101 -4.194 11.664 -6.114 830 2HB ASN 101 2HB ASN 101 -3.152 10.624 -5.164 831 1HD2 ASN 101 1HD2 ASN 101 -1.247 11.513 -4.981 832 2HD2 ASN 101 2HD2 ASN 101 -0.300 12.238 -6.237 833 H SER 102 H SER 102 -5.622 11.570 -7.360 834 HA SER 102 HA SER 102 -5.866 11.025 -10.176 835 1HB SER 102 1HB SER 102 -7.516 13.230 -9.364 836 2HB SER 102 2HB SER 102 -8.014 11.614 -9.816 837 HG SER 102 HG SER 102 -8.705 12.154 -7.656 838 H LEU 103 H LEU 103 -3.566 12.545 -8.587 839 HA LEU 103 HA LEU 103 -3.701 15.078 -10.030 840 1HB LEU 103 1HB LEU 103 -3.262 15.093 -7.609 841 2HB LEU 103 2HB LEU 103 -1.820 14.131 -7.864 842 HG LEU 103 HG LEU 103 -1.480 16.325 -9.562 843 1HD1 LEU 103 1HD1 LEU 103 -3.415 17.374 -8.350 844 2HD1 LEU 103 2HD1 LEU 103 -2.419 17.352 -6.876 845 3HD1 LEU 103 3HD1 LEU 103 -1.892 18.297 -8.289 846 1HD2 LEU 103 1HD2 LEU 103 0.485 15.824 -8.626 847 2HD2 LEU 103 2HD2 LEU 103 0.000 16.950 -7.336 848 3HD2 LEU 103 3HD2 LEU 103 -0.271 15.201 -7.140 849 H VAL 104 H VAL 104 -2.780 11.947 -10.628 850 HA VAL 104 HA VAL 104 -0.685 12.878 -12.455 851 HB VAL 104 HB VAL 104 -0.570 10.796 -10.352 852 1HG1 VAL 104 1HG1 VAL 104 1.011 9.394 -11.606 853 2HG1 VAL 104 2HG1 VAL 104 -0.597 9.397 -12.371 854 3HG1 VAL 104 3HG1 VAL 104 0.722 10.367 -13.068 855 1HG2 VAL 104 1HG2 VAL 104 0.904 13.074 -11.148 856 2HG2 VAL 104 2HG2 VAL 104 1.254 11.956 -9.808 857 3HG2 VAL 104 3HG2 VAL 104 1.964 11.670 -11.415 858 H GLU 105 H GLU 105 -3.754 11.673 -12.062 859 HA GLU 105 HA GLU 105 -3.613 10.476 -14.692 860 1HB GLU 105 1HB GLU 105 -5.079 9.159 -12.363 861 2HB GLU 105 2HB GLU 105 -5.035 8.575 -14.015 862 1HG GLU 105 1HG GLU 105 -2.316 8.918 -13.348 863 2HG GLU 105 2HG GLU 105 -3.032 8.276 -11.883 864 HE2 GLU 105 HE GLU 105 -3.902 5.939 -14.996 865 H GLY 106 H GLY 106 -5.530 11.820 -11.967 866 1HA GLY 106 1HA GLY 106 -7.180 13.398 -12.108 867 2HA GLY 106 2HA GLY 106 -7.219 13.227 -13.852 868 H MET 107 H MET 107 -7.245 10.079 -13.004 869 HA MET 107 HA MET 107 -10.133 10.069 -12.572 870 1HB MET 107 1HB MET 107 -10.371 8.361 -14.224 871 2HB MET 107 2HB MET 107 -9.164 9.413 -14.937 872 1HG MET 107 1HG MET 107 -7.601 7.690 -13.395 873 2HG MET 107 2HG MET 107 -8.885 6.632 -13.946 874 1HE MET 107 1HE MET 107 -6.935 9.661 -16.462 875 2HE MET 107 2HE MET 107 -6.659 9.400 -14.724 876 3HE MET 107 3HE MET 107 -5.553 8.681 -15.919 877 H ARG 108 H ARG 108 -7.834 9.885 -10.636 878 HA ARG 108 HA ARG 108 -8.284 7.145 -9.767 879 1HB ARG 108 1HB ARG 108 -5.887 8.851 -9.869 880 2HB ARG 108 2HB ARG 108 -6.142 8.221 -8.254 881 1HG ARG 108 1HG ARG 108 -4.903 6.481 -9.209 882 2HG ARG 108 2HG ARG 108 -6.537 5.912 -9.491 883 1HD ARG 108 1HD ARG 108 -6.441 7.026 -11.794 884 2HD ARG 108 2HD ARG 108 -4.747 7.364 -11.497 885 HE ARG 108 HE ARG 108 -4.877 4.668 -10.997 886 1HH1 ARG 108 2HH2 ARG 108 -6.006 6.632 -13.720 887 2HH1 ARG 108 1HH2 ARG 108 -5.821 5.358 -14.878 888 1HH2 ARG 108 1HH ARG 108 -5.012 3.221 -14.152 Start of MODEL 14 1 H MET 1 H MET 1 -11.651 -13.525 4.084 2 HA MET 1 HA MET 1 -12.507 -11.276 2.430 3 1HB MET 1 1HB MET 1 -10.966 -11.525 5.031 4 2HB MET 1 2HB MET 1 -10.569 -10.181 3.980 5 1HG MET 1 1HG MET 1 -12.277 -9.163 5.162 6 2HG MET 1 2HG MET 1 -13.263 -9.917 3.925 7 1HE MET 1 1HE MET 1 -14.408 -8.932 6.251 8 2HE MET 1 2HE MET 1 -15.611 -10.171 5.817 9 3HE MET 1 3HE MET 1 -14.990 -10.077 7.482 10 H ALA 2 H ALA 2 -11.129 -13.771 1.522 11 HA ALA 2 HA ALA 2 -9.049 -12.481 0.050 12 1HB ALA 2 1HB ALA 2 -7.169 -13.545 0.926 13 2HB ALA 2 2HB ALA 2 -8.104 -13.210 2.402 14 3HB ALA 2 3HB ALA 2 -8.125 -14.839 1.686 15 H LYS 3 H LYS 3 -7.888 -14.361 -1.329 16 HA LYS 3 HA LYS 3 -10.113 -15.935 -2.358 17 1HB LYS 3 1HB LYS 3 -9.011 -14.507 -3.961 18 2HB LYS 3 2HB LYS 3 -7.436 -15.149 -3.536 19 1HG LYS 3 1HG LYS 3 -7.710 -16.738 -5.128 20 2HG LYS 3 2HG LYS 3 -8.994 -17.433 -4.159 21 1HD LYS 3 1HD LYS 3 -10.505 -15.563 -5.262 22 2HD LYS 3 2HD LYS 3 -9.223 -15.460 -6.452 23 1HE LYS 3 1HE LYS 3 -9.468 -17.831 -7.024 24 2HE LYS 3 2HE LYS 3 -10.580 -18.090 -5.696 25 1HZ LYS 3 1HZ LYS 3 -12.052 -16.386 -6.831 26 2HZ LYS 3 2HZ LYS 3 -11.078 -16.479 -8.132 27 H GLU 4 H GLU 4 -10.210 -17.585 -0.756 28 HA GLU 4 HA GLU 4 -7.979 -18.949 0.134 29 1HB GLU 4 1HB GLU 4 -10.576 -18.922 0.852 30 2HB GLU 4 2HB GLU 4 -10.609 -20.389 -0.108 31 1HG GLU 4 1HG GLU 4 -8.955 -21.464 1.270 32 2HG GLU 4 2HG GLU 4 -8.476 -19.954 2.018 33 HE2 GLU 4 HE GLU 4 -10.628 -20.638 4.604 34 H PHE 5 H PHE 5 -6.615 -19.410 -1.698 35 HA PHE 5 HA PHE 5 -7.466 -21.809 -3.101 36 1HB PHE 5 1HB PHE 5 -7.893 -19.541 -4.391 37 2HB PHE 5 2HB PHE 5 -6.148 -19.405 -4.477 38 HD1 PHE 5 HD1 PHE 5 -6.523 -22.770 -4.619 39 HD2 PHE 5 HD2 PHE 5 -7.407 -19.349 -6.967 40 HE1 PHE 5 HE1 PHE 5 -6.514 -24.190 -6.690 41 HE2 PHE 5 HE2 PHE 5 -7.399 -20.767 -9.038 42 HZ PHE 5 HZ PHE 5 -6.952 -23.171 -8.873 43 H GLY 6 H GLY 6 -5.889 -23.301 -2.779 44 1HA GLY 6 1HA GLY 6 -3.560 -23.071 -1.511 45 2HA GLY 6 2HA GLY 6 -3.793 -24.183 -2.846 46 H ARG 7 H ARG 7 -4.235 -21.888 -4.804 47 HA ARG 7 HA ARG 7 -1.650 -21.733 -5.707 48 1HB ARG 7 1HB ARG 7 -4.271 -20.717 -6.467 49 2HB ARG 7 2HB ARG 7 -3.083 -19.451 -6.703 50 1HG ARG 7 1HG ARG 7 -3.234 -20.776 -8.752 51 2HG ARG 7 2HG ARG 7 -1.662 -21.042 -8.025 52 1HD ARG 7 1HD ARG 7 -3.675 -22.949 -7.015 53 2HD ARG 7 2HD ARG 7 -3.510 -23.034 -8.757 54 HE ARG 7 HE ARG 7 -0.892 -23.014 -7.980 55 1HH1 ARG 7 2HH2 ARG 7 -3.648 -24.923 -6.837 56 2HH1 ARG 7 1HH2 ARG 7 -2.677 -26.284 -6.384 57 1HH2 ARG 7 1HH ARG 7 -0.305 -26.195 -6.714 58 HA PRO 8 HA PRO 8 -0.019 -18.114 -3.866 59 1HB PRO 8 1HB PRO 8 0.949 -16.536 -5.877 60 2HB PRO 8 2HB PRO 8 1.781 -17.963 -5.293 61 1HG PRO 8 1HG PRO 8 0.252 -17.607 -7.796 62 2HG PRO 8 2HG PRO 8 1.424 -18.845 -7.394 63 1HD PRO 8 1HD PRO 8 -1.431 -19.133 -7.442 64 2HD PRO 8 2HD PRO 8 -0.264 -20.336 -6.929 65 H GLN 9 H GLN 9 -2.864 -17.936 -5.311 66 HA GLN 9 HA GLN 9 -3.144 -15.110 -5.308 67 1HB GLN 9 1HB GLN 9 -4.549 -17.294 -6.397 68 2HB GLN 9 2HB GLN 9 -5.653 -16.630 -5.210 69 1HG GLN 9 1HG GLN 9 -6.184 -14.999 -6.692 70 2HG GLN 9 2HG GLN 9 -4.560 -14.365 -6.516 71 1HE2 GLN 9 1HE2 GLN 9 -5.256 -13.744 -8.786 72 2HE2 GLN 9 2HE2 GLN 9 -4.790 -14.804 -10.076 73 H ARG 10 H ARG 10 -3.811 -17.829 -3.084 74 HA ARG 10 HA ARG 10 -5.503 -16.525 -1.370 75 1HB ARG 10 1HB ARG 10 -4.786 -19.015 -1.416 76 2HB ARG 10 2HB ARG 10 -3.366 -18.531 -0.511 77 1HG ARG 10 1HG ARG 10 -6.103 -17.699 0.485 78 2HG ARG 10 2HG ARG 10 -5.556 -19.343 0.761 79 1HD ARG 10 1HD ARG 10 -3.338 -17.715 1.465 80 2HD ARG 10 2HD ARG 10 -4.732 -16.869 2.107 81 HE ARG 10 HE ARG 10 -5.235 -19.456 2.883 82 1HH1 ARG 10 2HH2 ARG 10 -2.370 -17.395 3.203 83 2HH1 ARG 10 1HH2 ARG 10 -1.832 -18.157 4.662 84 1HH2 ARG 10 1HH ARG 10 -3.113 -19.960 5.587 85 H VAL 11 H VAL 11 -1.885 -16.907 -1.213 86 HA VAL 11 HA VAL 11 -1.595 -15.294 1.072 87 HB VAL 11 HB VAL 11 0.096 -16.641 -0.921 88 1HG1 VAL 11 1HG1 VAL 11 1.005 -14.416 -1.222 89 2HG1 VAL 11 2HG1 VAL 11 1.118 -14.183 0.540 90 3HG1 VAL 11 3HG1 VAL 11 2.146 -15.391 -0.267 91 1HG2 VAL 11 1HG2 VAL 11 0.804 -17.772 0.888 92 2HG2 VAL 11 2HG2 VAL 11 1.077 -16.286 1.829 93 3HG2 VAL 11 3HG2 VAL 11 -0.556 -16.990 1.731 94 H ALA 12 H ALA 12 -1.526 -14.657 -2.469 95 HA ALA 12 HA ALA 12 -0.581 -12.053 -2.355 96 1HB ALA 12 1HB ALA 12 -2.095 -13.778 -4.253 97 2HB ALA 12 2HB ALA 12 -2.233 -12.023 -4.514 98 3HB ALA 12 3HB ALA 12 -0.632 -12.799 -4.513 99 H GLN 13 H GLN 13 -3.880 -13.423 -1.928 100 HA GLN 13 HA GLN 13 -5.108 -10.895 -1.857 101 1HB GLN 13 1HB GLN 13 -5.962 -13.695 -1.058 102 2HB GLN 13 2HB GLN 13 -7.003 -12.320 -0.747 103 1HG GLN 13 1HG GLN 13 -5.985 -13.298 -3.447 104 2HG GLN 13 2HG GLN 13 -7.647 -13.233 -2.896 105 1HE2 GLN 13 1HE2 GLN 13 -4.914 -11.452 -4.084 106 2HE2 GLN 13 2HE2 GLN 13 -5.714 -9.956 -4.434 107 H GLU 14 H GLU 14 -4.838 -13.355 0.814 108 HA GLU 14 HA GLU 14 -5.502 -11.844 2.876 109 1HB GLU 14 1HB GLU 14 -3.715 -14.161 2.482 110 2HB GLU 14 2HB GLU 14 -3.312 -13.237 3.915 111 1HG GLU 14 1HG GLU 14 -6.232 -13.710 3.522 112 2HG GLU 14 2HG GLU 14 -5.289 -15.161 3.802 113 HE2 GLU 14 HE GLU 14 -5.236 -14.609 7.120 114 H MET 15 H MET 15 -2.477 -11.611 1.014 115 HA MET 15 HA MET 15 -1.244 -9.914 2.936 116 1HB MET 15 1HB MET 15 -0.629 -10.874 0.110 117 2HB MET 15 2HB MET 15 0.334 -9.586 0.807 118 1HG MET 15 1HG MET 15 0.729 -11.130 2.832 119 2HG MET 15 2HG MET 15 -0.015 -12.414 1.903 120 1HE MET 15 1HE MET 15 2.814 -9.618 1.705 121 2HE MET 15 2HE MET 15 3.089 -10.869 2.941 122 3HE MET 15 3HE MET 15 4.172 -10.757 1.534 123 H GLN 16 H GLN 16 -2.927 -9.543 -0.235 124 HA GLN 16 HA GLN 16 -2.382 -6.835 -0.510 125 1HB GLN 16 1HB GLN 16 -3.287 -8.532 -2.244 126 2HB GLN 16 2HB GLN 16 -4.872 -8.231 -1.560 127 1HG GLN 16 1HG GLN 16 -3.532 -5.691 -2.044 128 2HG GLN 16 2HG GLN 16 -3.485 -6.660 -3.503 129 1HE2 GLN 16 1HE2 GLN 16 -4.865 -4.764 -4.129 130 2HE2 GLN 16 2HE2 GLN 16 -6.580 -4.916 -3.953 131 H LYS 17 H LYS 17 -4.911 -8.646 1.249 132 HA LYS 17 HA LYS 17 -6.473 -6.308 1.770 133 1HB LYS 17 1HB LYS 17 -7.260 -8.757 1.584 134 2HB LYS 17 2HB LYS 17 -6.659 -8.950 3.219 135 1HG LYS 17 1HG LYS 17 -8.425 -6.573 2.664 136 2HG LYS 17 2HG LYS 17 -9.187 -8.150 2.703 137 1HD LYS 17 1HD LYS 17 -7.527 -6.879 4.929 138 2HD LYS 17 2HD LYS 17 -9.257 -7.159 4.948 139 1HE LYS 17 1HE LYS 17 -8.182 -9.698 4.370 140 2HE LYS 17 2HE LYS 17 -7.058 -9.031 5.536 141 1HZ LYS 17 1HZ LYS 17 -8.833 -8.697 7.082 142 2HZ LYS 17 2HZ LYS 17 -9.992 -9.004 5.979 143 H GLU 18 H GLU 18 -3.980 -8.263 3.469 144 HA GLU 18 HA GLU 18 -4.258 -6.894 5.890 145 1HB GLU 18 1HB GLU 18 -3.177 -9.163 5.542 146 2HB GLU 18 2HB GLU 18 -1.797 -8.351 4.831 147 1HG GLU 18 1HG GLU 18 -2.658 -7.271 7.477 148 2HG GLU 18 2HG GLU 18 -2.049 -8.914 7.515 149 HE2 GLU 18 HE GLU 18 -0.491 -7.565 8.736 150 H ILE 19 H ILE 19 -2.214 -6.424 2.969 151 HA ILE 19 HA ILE 19 -0.705 -4.316 4.166 152 HB ILE 19 HB ILE 19 0.357 -4.127 2.064 153 1HG1 ILE 19 1HG1 ILE 19 -2.022 -5.620 0.940 154 2HG1 ILE 19 2HG1 ILE 19 -1.493 -3.995 0.555 155 1HG2 ILE 19 1HG2 ILE 19 -0.065 -6.713 3.310 156 2HG2 ILE 19 2HG2 ILE 19 0.321 -6.874 1.580 157 3HG2 ILE 19 3HG2 ILE 19 1.422 -5.985 2.657 158 1HD1 ILE 19 1HD1 ILE 19 -0.545 -5.108 -1.239 159 2HD1 ILE 19 2HD1 ILE 19 0.791 -5.289 -0.078 160 3HD1 ILE 19 3HD1 ILE 19 -0.355 -6.626 -0.332 161 H ALA 20 H ALA 20 -3.409 -4.545 1.767 162 HA ALA 20 HA ALA 20 -3.659 -1.849 1.256 163 1HB ALA 20 1HB ALA 20 -6.020 -2.463 0.661 164 2HB ALA 20 2HB ALA 20 -4.804 -3.560 -0.037 165 3HB ALA 20 3HB ALA 20 -5.743 -4.062 1.389 166 H LEU 21 H LEU 21 -4.697 -3.805 4.055 167 HA LEU 21 HA LEU 21 -6.394 -1.801 5.126 168 1HB LEU 21 1HB LEU 21 -6.851 -4.006 5.744 169 2HB LEU 21 2HB LEU 21 -5.179 -4.350 6.142 170 HG LEU 21 HG LEU 21 -6.101 -2.225 7.840 171 1HD1 LEU 21 1HD1 LEU 21 -8.082 -4.359 7.312 172 2HD1 LEU 21 2HD1 LEU 21 -7.753 -4.011 9.028 173 3HD1 LEU 21 3HD1 LEU 21 -8.299 -2.709 7.944 174 1HD2 LEU 21 1HD2 LEU 21 -5.765 -4.314 9.503 175 2HD2 LEU 21 2HD2 LEU 21 -4.902 -4.929 8.072 176 3HD2 LEU 21 3HD2 LEU 21 -4.419 -3.381 8.808 177 H ILE 22 H ILE 22 -3.097 -2.997 6.094 178 HA ILE 22 HA ILE 22 -2.658 -0.980 7.954 179 HB ILE 22 HB ILE 22 -0.688 -2.589 6.324 180 1HG1 ILE 22 1HG1 ILE 22 -1.624 -3.160 9.139 181 2HG1 ILE 22 2HG1 ILE 22 -2.463 -3.804 7.740 182 1HG2 ILE 22 1HG2 ILE 22 -0.344 -0.855 8.774 183 2HG2 ILE 22 2HG2 ILE 22 0.801 -2.146 8.337 184 3HG2 ILE 22 3HG2 ILE 22 0.530 -0.782 7.226 185 1HD1 ILE 22 1HD1 ILE 22 -0.253 -4.768 6.935 186 2HD1 ILE 22 2HD1 ILE 22 0.460 -4.254 8.484 187 3HD1 ILE 22 3HD1 ILE 22 -0.846 -5.464 8.462 188 H LEU 23 H LEU 23 -2.587 -0.983 4.439 189 HA LEU 23 HA LEU 23 -1.051 1.472 4.362 190 1HB LEU 23 1HB LEU 23 -1.011 -0.584 2.726 191 2HB LEU 23 2HB LEU 23 -2.383 0.224 1.993 192 HG LEU 23 HG LEU 23 -1.047 2.208 1.550 193 1HD1 LEU 23 1HD1 LEU 23 1.563 1.755 1.937 194 2HD1 LEU 23 2HD1 LEU 23 0.531 2.570 3.137 195 3HD1 LEU 23 3HD1 LEU 23 0.912 0.842 3.320 196 1HD2 LEU 23 1HD2 LEU 23 -1.070 0.248 -0.034 197 2HD2 LEU 23 2HD2 LEU 23 0.317 1.354 -0.198 198 3HD2 LEU 23 3HD2 LEU 23 0.519 -0.210 0.628 199 H GLN 24 H GLN 24 -4.313 0.435 4.769 200 HA GLN 24 HA GLN 24 -5.238 3.033 3.827 201 1HB GLN 24 1HB GLN 24 -6.622 0.349 4.122 202 2HB GLN 24 2HB GLN 24 -7.556 1.829 4.032 203 1HG GLN 24 1HG GLN 24 -6.702 2.361 1.838 204 2HG GLN 24 2HG GLN 24 -5.423 1.170 1.961 205 1HE2 GLN 24 1HE2 GLN 24 -8.910 1.077 2.677 206 2HE2 GLN 24 2HE2 GLN 24 -9.312 -0.257 1.647 207 H ARG 25 H ARG 25 -4.278 1.382 6.594 208 HA ARG 25 HA ARG 25 -6.164 2.902 8.211 209 1HB ARG 25 1HB ARG 25 -4.879 0.197 8.564 210 2HB ARG 25 2HB ARG 25 -5.152 1.140 10.015 211 1HG ARG 25 1HG ARG 25 -7.586 1.477 9.078 212 2HG ARG 25 2HG ARG 25 -7.207 0.138 8.014 213 1HD ARG 25 1HD ARG 25 -8.199 -0.920 9.895 214 2HD ARG 25 2HD ARG 25 -6.482 -1.147 10.163 215 HE ARG 25 HE ARG 25 -6.547 0.409 11.952 216 1HH1 ARG 25 2HH2 ARG 25 -9.659 0.337 10.259 217 2HH1 ARG 25 1HH2 ARG 25 -10.490 1.227 11.491 218 1HH2 ARG 25 1HH ARG 25 -9.285 1.948 13.433 219 H GLU 26 H GLU 26 -2.774 1.571 8.140 220 HA GLU 26 HA GLU 26 -1.893 3.337 10.139 221 1HB GLU 26 1HB GLU 26 0.005 2.082 10.063 222 2HB GLU 26 2HB GLU 26 -0.922 1.028 9.016 223 1HG GLU 26 1HG GLU 26 0.982 1.402 7.704 224 2HG GLU 26 2HG GLU 26 -0.102 2.629 7.080 225 HE2 GLU 26 HE GLU 26 1.091 4.195 6.685 226 H ILE 27 H ILE 27 -2.612 3.726 6.794 227 HA ILE 27 HA ILE 27 -0.664 5.818 6.375 228 HB ILE 27 HB ILE 27 -1.719 4.022 4.718 229 1HG1 ILE 27 1HG1 ILE 27 -0.357 6.591 4.433 230 2HG1 ILE 27 2HG1 ILE 27 -0.030 5.049 3.666 231 1HG2 ILE 27 1HG2 ILE 27 -3.381 5.108 3.243 232 2HG2 ILE 27 2HG2 ILE 27 -4.005 4.793 4.881 233 3HG2 ILE 27 3HG2 ILE 27 -3.518 6.442 4.414 234 1HD1 ILE 27 1HD1 ILE 27 -2.262 6.959 2.832 235 2HD1 ILE 27 2HD1 ILE 27 -0.689 6.805 2.014 236 3HD1 ILE 27 3HD1 ILE 27 -1.828 5.437 2.019 237 H LYS 28 H LYS 28 -1.869 7.849 5.123 238 HA LYS 28 HA LYS 28 -3.429 9.009 7.261 239 1HB LYS 28 1HB LYS 28 -1.973 10.043 4.846 240 2HB LYS 28 2HB LYS 28 -3.210 11.035 5.591 241 1HG LYS 28 1HG LYS 28 -1.075 11.597 6.619 242 2HG LYS 28 2HG LYS 28 -2.049 10.765 7.815 243 1HD LYS 28 1HD LYS 28 -0.364 8.965 6.144 244 2HD LYS 28 2HD LYS 28 0.547 10.082 7.140 245 1HE LYS 28 1HE LYS 28 -1.591 9.032 8.763 246 2HE LYS 28 2HE LYS 28 -0.838 7.676 7.950 247 1HZ LYS 28 1HZ LYS 28 0.157 8.767 10.171 248 2HZ LYS 28 2HZ LYS 28 1.098 7.996 9.087 249 H ASP 29 H ASP 29 -5.267 7.477 6.924 250 HA ASP 29 HA ASP 29 -6.735 7.979 4.494 251 1HB ASP 29 1HB ASP 29 -7.103 5.757 4.883 252 2HB ASP 29 2HB ASP 29 -6.633 5.884 6.566 253 HD2 ASP 29 HD ASP 29 -9.873 6.857 7.547 254 HA PRO 30 HA PRO 30 -9.590 9.478 8.019 255 1HB PRO 30 1HB PRO 30 -8.663 9.551 10.590 256 2HB PRO 30 2HB PRO 30 -9.597 8.215 9.946 257 1HG PRO 30 1HG PRO 30 -6.695 8.352 10.496 258 2HG PRO 30 2HG PRO 30 -7.703 6.937 10.266 259 1HD PRO 30 1HD PRO 30 -5.885 8.076 8.363 260 2HD PRO 30 2HD PRO 30 -6.977 6.732 8.094 261 H ARG 31 H ARG 31 -6.236 10.307 8.276 262 HA ARG 31 HA ARG 31 -6.728 12.881 9.247 263 1HB ARG 31 1HB ARG 31 -4.300 12.238 7.555 264 2HB ARG 31 2HB ARG 31 -4.394 13.214 9.008 265 1HG ARG 31 1HG ARG 31 -5.124 10.907 10.144 266 2HG ARG 31 2HG ARG 31 -4.334 10.200 8.749 267 1HD ARG 31 1HD ARG 31 -2.407 10.396 9.964 268 2HD ARG 31 2HD ARG 31 -2.461 12.092 9.524 269 HE ARG 31 HE ARG 31 -3.217 12.640 11.700 270 1HH1 ARG 31 2HH2 ARG 31 -3.164 9.123 11.268 271 2HH1 ARG 31 1HH2 ARG 31 -3.378 8.789 12.954 272 1HH2 ARG 31 1HH ARG 31 -3.575 10.611 14.498 273 H LEU 32 H LEU 32 -5.683 11.692 5.959 274 HA LEU 32 HA LEU 32 -5.987 14.150 4.688 275 1HB LEU 32 1HB LEU 32 -5.761 11.300 3.851 276 2HB LEU 32 2HB LEU 32 -6.302 12.463 2.658 277 HG LEU 32 HG LEU 32 -4.272 13.494 2.508 278 1HD1 LEU 32 1HD1 LEU 32 -3.980 12.859 5.424 279 2HD1 LEU 32 2HD1 LEU 32 -2.542 13.262 4.457 280 3HD1 LEU 32 3HD1 LEU 32 -3.886 14.423 4.580 281 1HD2 LEU 32 1HD2 LEU 32 -4.059 11.034 1.996 282 2HD2 LEU 32 2HD2 LEU 32 -2.536 11.881 2.360 283 3HD2 LEU 32 3HD2 LEU 32 -3.296 10.846 3.593 284 H GLY 33 H GLY 33 -8.318 11.705 5.706 285 1HA GLY 33 1HA GLY 33 -10.577 11.977 5.885 286 2HA GLY 33 2HA GLY 33 -10.487 13.474 4.979 287 H MET 34 H MET 34 -9.206 10.224 4.039 288 HA MET 34 HA MET 34 -11.337 9.987 2.111 289 1HB MET 34 1HB MET 34 -8.356 10.026 1.374 290 2HB MET 34 2HB MET 34 -9.642 9.598 0.261 291 1HG MET 34 1HG MET 34 -10.604 11.841 0.387 292 2HG MET 34 2HG MET 34 -9.540 12.287 1.706 293 1HE MET 34 1HE MET 34 -7.878 14.504 0.087 294 2HE MET 34 2HE MET 34 -7.984 13.531 1.574 295 3HE MET 34 3HE MET 34 -6.537 13.427 0.543 296 H MET 35 H MET 35 -10.491 7.824 0.632 297 HA MET 35 HA MET 35 -9.618 5.901 2.638 298 1HB MET 35 1HB MET 35 -12.245 6.136 1.717 299 2HB MET 35 2HB MET 35 -11.599 4.938 0.613 300 1HG MET 35 1HG MET 35 -10.654 3.791 2.808 301 2HG MET 35 2HG MET 35 -11.842 4.780 3.635 302 1HE MET 35 1HE MET 35 -12.548 0.839 1.793 303 2HE MET 35 2HE MET 35 -11.278 1.844 1.053 304 3HE MET 35 3HE MET 35 -11.251 1.520 2.804 305 H THR 36 H THR 36 -7.499 6.031 1.605 306 HA THR 36 HA THR 36 -6.939 5.817 -1.051 307 HB THR 36 HB THR 36 -4.759 4.962 -0.264 308 HG1 THR 36 HG1 THR 36 -6.324 4.545 2.187 309 1HG2 THR 36 1HG2 THR 36 -5.732 7.330 0.602 310 2HG2 THR 36 2HG2 THR 36 -5.673 6.495 2.172 311 3HG2 THR 36 3HG2 THR 36 -4.186 6.690 1.212 312 H THR 37 H THR 37 -6.564 4.177 -2.566 313 HA THR 37 HA THR 37 -7.683 1.562 -1.801 314 HB THR 37 HB THR 37 -8.278 3.401 -4.146 315 HG1 THR 37 HG1 THR 37 -10.302 3.076 -3.219 316 1HG2 THR 37 1HG2 THR 37 -9.488 1.428 -5.173 317 2HG2 THR 37 2HG2 THR 37 -7.718 1.251 -5.234 318 3HG2 THR 37 3HG2 THR 37 -8.659 0.363 -4.012 319 H VAL 38 H VAL 38 -6.962 -0.242 -3.235 320 HA VAL 38 HA VAL 38 -4.218 0.295 -4.146 321 HB VAL 38 HB VAL 38 -4.136 -0.953 -2.120 322 1HG1 VAL 38 1HG1 VAL 38 -5.319 -3.379 -2.365 323 2HG1 VAL 38 2HG1 VAL 38 -6.089 -1.976 -1.587 324 3HG1 VAL 38 3HG1 VAL 38 -6.469 -2.375 -3.279 325 1HG2 VAL 38 1HG2 VAL 38 -3.279 -2.046 -4.647 326 2HG2 VAL 38 2HG2 VAL 38 -2.478 -2.112 -3.059 327 3HG2 VAL 38 3HG2 VAL 38 -3.652 -3.369 -3.515 328 H SER 39 H SER 39 -4.802 0.677 -6.321 329 HA SER 39 HA SER 39 -6.360 -1.388 -7.598 330 1HB SER 39 1HB SER 39 -6.069 1.408 -7.966 331 2HB SER 39 2HB SER 39 -5.331 0.687 -9.382 332 HG SER 39 HG SER 39 -8.008 0.194 -8.392 333 H GLY 40 H GLY 40 -3.641 -1.974 -6.555 334 1HA GLY 40 1HA GLY 40 -2.587 -3.312 -8.822 335 2HA GLY 40 2HA GLY 40 -1.636 -1.882 -8.469 336 H VAL 41 H VAL 41 -1.329 -5.007 -8.101 337 HA VAL 41 HA VAL 41 -0.020 -4.740 -5.521 338 HB VAL 41 HB VAL 41 -1.451 -7.279 -5.809 339 1HG1 VAL 41 1HG1 VAL 41 -1.770 -5.455 -3.467 340 2HG1 VAL 41 2HG1 VAL 41 -1.493 -7.212 -3.523 341 3HG1 VAL 41 3HG1 VAL 41 -0.143 -6.087 -3.810 342 1HG2 VAL 41 1HG2 VAL 41 -3.139 -4.858 -5.143 343 2HG2 VAL 41 2HG2 VAL 41 -3.083 -5.566 -6.775 344 3HG2 VAL 41 3HG2 VAL 41 -3.661 -6.540 -5.402 345 H GLU 42 H GLU 42 2.038 -5.432 -5.769 346 HA GLU 42 HA GLU 42 2.448 -7.621 -7.638 347 1HB GLU 42 1HB GLU 42 4.216 -5.139 -7.490 348 2HB GLU 42 2HB GLU 42 4.457 -6.515 -8.549 349 1HG GLU 42 1HG GLU 42 2.066 -6.020 -9.457 350 2HG GLU 42 2HG GLU 42 2.191 -4.483 -8.626 351 HE2 GLU 42 HE GLU 42 4.636 -3.176 -10.540 352 H MET 43 H MET 43 2.829 -9.168 -6.032 353 HA MET 43 HA MET 43 4.865 -8.466 -4.075 354 1HB MET 43 1HB MET 43 3.255 -11.034 -3.981 355 2HB MET 43 2HB MET 43 3.837 -10.060 -2.646 356 1HG MET 43 1HG MET 43 1.682 -9.294 -2.521 357 2HG MET 43 2HG MET 43 2.123 -8.273 -3.875 358 1HE MET 43 1HE MET 43 -1.179 -8.903 -4.514 359 2HE MET 43 2HE MET 43 -1.325 -10.446 -3.638 360 3HE MET 43 3HE MET 43 -0.452 -9.082 -2.900 361 H SER 44 H SER 44 6.877 -8.931 -4.913 362 HA SER 44 HA SER 44 7.127 -11.540 -6.193 363 1HB SER 44 1HB SER 44 8.432 -8.876 -6.702 364 2HB SER 44 2HB SER 44 9.390 -10.314 -6.994 365 HG SER 44 HG SER 44 7.361 -11.049 -8.257 366 H ARG 45 H ARG 45 7.860 -12.969 -4.644 367 HA ARG 45 HA ARG 45 9.783 -11.941 -2.740 368 1HB ARG 45 1HB ARG 45 8.618 -14.730 -2.578 369 2HB ARG 45 2HB ARG 45 9.100 -13.666 -1.271 370 1HG ARG 45 1HG ARG 45 7.086 -12.184 -2.486 371 2HG ARG 45 2HG ARG 45 6.510 -13.822 -2.722 372 1HD ARG 45 1HD ARG 45 6.911 -12.299 -0.165 373 2HD ARG 45 2HD ARG 45 5.628 -13.408 -0.606 374 HE ARG 45 HE ARG 45 8.113 -14.094 0.723 375 1HH1 ARG 45 2HH2 ARG 45 5.681 -15.370 -1.515 376 2HH1 ARG 45 1HH2 ARG 45 6.009 -17.024 -1.125 377 1HH2 ARG 45 1HH ARG 45 7.697 -17.535 0.499 378 H ASP 46 H ASP 46 9.788 -13.330 -5.749 379 HA ASP 46 HA ASP 46 11.291 -15.561 -5.651 380 1HB ASP 46 1HB ASP 46 10.919 -13.312 -7.568 381 2HB ASP 46 2HB ASP 46 12.400 -14.219 -7.812 382 HD2 ASP 46 HD ASP 46 11.948 -16.607 -7.764 383 H LEU 47 H LEU 47 12.139 -12.265 -4.783 384 HA LEU 47 HA LEU 47 14.828 -13.141 -4.131 385 1HB LEU 47 1HB LEU 47 14.205 -11.420 -6.366 386 2HB LEU 47 2HB LEU 47 15.166 -10.561 -5.180 387 HG LEU 47 HG LEU 47 16.094 -13.291 -5.924 388 1HD1 LEU 47 1HD1 LEU 47 16.591 -12.934 -8.078 389 2HD1 LEU 47 2HD1 LEU 47 15.333 -11.677 -8.000 390 3HD1 LEU 47 3HD1 LEU 47 17.045 -11.235 -7.797 391 1HD2 LEU 47 1HD2 LEU 47 17.108 -11.204 -4.434 392 2HD2 LEU 47 2HD2 LEU 47 18.033 -12.586 -5.071 393 3HD2 LEU 47 3HD2 LEU 47 17.982 -11.055 -5.976 394 H ALA 48 H ALA 48 12.754 -10.152 -4.269 395 HA ALA 48 HA ALA 48 12.028 -9.962 -1.702 396 1HB ALA 48 1HB ALA 48 13.954 -9.902 -0.514 397 2HB ALA 48 2HB ALA 48 14.940 -9.562 -1.956 398 3HB ALA 48 3HB ALA 48 14.105 -8.233 -1.116 399 H TYR 49 H TYR 49 10.449 -9.036 -3.253 400 HA TYR 49 HA TYR 49 10.727 -6.174 -3.310 401 1HB TYR 49 1HB TYR 49 10.247 -7.809 -5.871 402 2HB TYR 49 2HB TYR 49 10.489 -6.076 -5.783 403 HD1 TYR 49 HD1 TYR 49 12.816 -5.291 -4.818 404 HD2 TYR 49 HD2 TYR 49 12.052 -9.194 -6.394 405 HE1 TYR 49 HE1 TYR 49 15.305 -5.624 -5.217 406 HE2 TYR 49 HE2 TYR 49 14.543 -9.515 -6.788 407 HH TYR 49 HH TYR 49 16.854 -6.969 -5.880 408 H ALA 50 H ALA 50 8.730 -5.169 -3.212 409 HA ALA 50 HA ALA 50 6.387 -6.725 -3.943 410 1HB ALA 50 1HB ALA 50 6.012 -7.327 -1.802 411 2HB ALA 50 2HB ALA 50 7.297 -6.256 -1.197 412 3HB ALA 50 3HB ALA 50 5.664 -5.611 -1.488 413 H LYS 51 H LYS 51 5.918 -5.270 -5.605 414 HA LYS 51 HA LYS 51 5.879 -2.443 -4.941 415 1HB LYS 51 1HB LYS 51 4.959 -3.119 -7.608 416 2HB LYS 51 2HB LYS 51 6.307 -2.120 -7.105 417 1HG LYS 51 1HG LYS 51 7.535 -4.367 -6.577 418 2HG LYS 51 2HG LYS 51 6.267 -5.134 -7.512 419 1HD LYS 51 1HD LYS 51 7.816 -4.743 -9.204 420 2HD LYS 51 2HD LYS 51 6.878 -3.267 -9.319 421 1HE LYS 51 1HE LYS 51 8.523 -2.078 -7.884 422 2HE LYS 51 2HE LYS 51 9.441 -3.555 -7.678 423 1HZ LYS 51 1HZ LYS 51 10.028 -3.546 -9.968 424 2HZ LYS 51 2HZ LYS 51 8.922 -2.419 -10.366 425 H VAL 52 H VAL 52 4.135 -1.846 -3.739 426 HA VAL 52 HA VAL 52 1.554 -3.011 -4.490 427 HB VAL 52 HB VAL 52 2.651 -2.990 -2.094 428 1HG1 VAL 52 1HG1 VAL 52 2.060 -0.184 -2.553 429 2HG1 VAL 52 2HG1 VAL 52 1.164 -0.807 -1.146 430 3HG1 VAL 52 3HG1 VAL 52 2.937 -0.957 -1.210 431 1HG2 VAL 52 1HG2 VAL 52 -0.269 -2.371 -2.654 432 2HG2 VAL 52 2HG2 VAL 52 0.495 -3.977 -2.582 433 3HG2 VAL 52 3HG2 VAL 52 0.365 -2.989 -1.108 434 H TYR 53 H TYR 53 -0.310 -1.583 -4.728 435 HA TYR 53 HA TYR 53 0.528 1.062 -5.692 436 1HB TYR 53 1HB TYR 53 -0.652 -0.882 -7.091 437 2HB TYR 53 2HB TYR 53 -2.088 -0.469 -6.175 438 HD1 TYR 53 HD1 TYR 53 0.104 0.485 -8.913 439 HD2 TYR 53 HD2 TYR 53 -3.117 1.806 -6.426 440 HE1 TYR 53 HE1 TYR 53 -0.435 2.328 -10.579 441 HE2 TYR 53 HE2 TYR 53 -3.644 3.645 -8.101 442 HH TYR 53 HH TYR 53 -2.684 3.639 -11.146 443 H VAL 54 H VAL 54 -0.880 2.904 -5.271 444 HA VAL 54 HA VAL 54 -2.976 2.572 -3.337 445 HB VAL 54 HB VAL 54 -1.663 4.432 -1.949 446 1HG1 VAL 54 1HG1 VAL 54 -1.128 2.730 -0.327 447 2HG1 VAL 54 2HG1 VAL 54 -2.648 2.279 -1.138 448 3HG1 VAL 54 3HG1 VAL 54 -1.127 1.467 -1.583 449 1HG2 VAL 54 1HG2 VAL 54 0.737 3.599 -1.706 450 2HG2 VAL 54 2HG2 VAL 54 0.494 2.759 -3.258 451 3HG2 VAL 54 3HG2 VAL 54 0.362 4.534 -3.175 452 H THR 55 H THR 55 -4.562 3.929 -3.984 453 HA THR 55 HA THR 55 -3.718 6.387 -5.374 454 HB THR 55 HB THR 55 -4.757 5.318 -7.141 455 HG1 THR 55 HG1 THR 55 -7.060 5.853 -7.010 456 1HG2 THR 55 1HG2 THR 55 -6.373 3.735 -5.074 457 2HG2 THR 55 2HG2 THR 55 -6.514 3.542 -6.838 458 3HG2 THR 55 3HG2 THR 55 -4.996 3.114 -6.015 459 H PHE 56 H PHE 56 -4.223 8.225 -4.374 460 HA PHE 56 HA PHE 56 -6.388 8.073 -2.399 461 1HB PHE 56 1HB PHE 56 -4.222 10.215 -2.571 462 2HB PHE 56 2HB PHE 56 -5.088 9.675 -1.145 463 HD1 PHE 56 HD1 PHE 56 -4.724 6.798 -1.147 464 HD2 PHE 56 HD2 PHE 56 -1.972 9.849 -2.209 465 HE1 PHE 56 HE1 PHE 56 -2.814 5.279 -0.562 466 HE2 PHE 56 HE2 PHE 56 -0.062 8.328 -1.624 467 HZ PHE 56 HZ PHE 56 -0.506 6.063 -0.809 468 H LEU 57 H LEU 57 -7.802 9.951 -2.185 469 HA LEU 57 HA LEU 57 -8.211 11.215 -4.765 470 1HB LEU 57 1HB LEU 57 -10.037 10.056 -3.529 471 2HB LEU 57 2HB LEU 57 -9.916 11.274 -2.274 472 HG LEU 57 HG LEU 57 -10.377 12.995 -4.138 473 1HD1 LEU 57 1HD1 LEU 57 -10.764 12.343 -6.226 474 2HD1 LEU 57 2HD1 LEU 57 -10.213 10.719 -5.752 475 3HD1 LEU 57 3HD1 LEU 57 -11.946 11.121 -5.694 476 1HD2 LEU 57 1HD2 LEU 57 -12.932 11.996 -4.095 477 2HD2 LEU 57 2HD2 LEU 57 -12.197 11.217 -2.673 478 3HD2 LEU 57 3HD2 LEU 57 -12.185 12.991 -2.821 479 H ASN 58 H ASN 58 -5.988 11.830 -2.651 480 HA ASN 58 HA ASN 58 -6.469 14.212 -1.452 481 1HB ASN 58 1HB ASN 58 -4.125 12.650 -2.289 482 2HB ASN 58 2HB ASN 58 -3.795 14.366 -2.422 483 1HD2 ASN 58 1HD2 ASN 58 -4.628 15.698 -0.521 484 2HD2 ASN 58 2HD2 ASN 58 -4.300 15.089 1.067 485 H ASP 59 H ASP 59 -5.909 13.401 -4.863 486 HA ASP 59 HA ASP 59 -4.901 15.538 -6.003 487 1HB ASP 59 1HB ASP 59 -6.076 14.955 -7.972 488 2HB ASP 59 2HB ASP 59 -6.058 13.464 -7.052 489 HD2 ASP 59 HD ASP 59 -7.942 15.548 -8.662 490 H LYS 60 H LYS 60 -8.157 15.247 -4.514 491 HA LYS 60 HA LYS 60 -9.518 17.352 -5.453 492 1HB LYS 60 1HB LYS 60 -9.356 15.963 -2.843 493 2HB LYS 60 2HB LYS 60 -10.089 17.554 -2.794 494 1HG LYS 60 1HG LYS 60 -11.681 16.918 -4.580 495 2HG LYS 60 2HG LYS 60 -10.904 15.357 -4.756 496 1HD LYS 60 1HD LYS 60 -12.736 14.851 -3.362 497 2HD LYS 60 2HD LYS 60 -11.431 15.034 -2.208 498 1HE LYS 60 1HE LYS 60 -12.983 16.419 -1.186 499 2HE LYS 60 2HE LYS 60 -12.231 17.605 -2.234 500 1HZ LYS 60 1HZ LYS 60 -14.858 17.104 -2.237 501 2HZ LYS 60 2HZ LYS 60 -14.081 17.707 -3.535 502 H ASP 61 H ASP 61 -6.886 17.493 -2.974 503 HA ASP 61 HA ASP 61 -6.725 20.333 -3.607 504 1HB ASP 61 1HB ASP 61 -5.855 19.277 -0.916 505 2HB ASP 61 2HB ASP 61 -6.383 20.892 -1.341 506 HD2 ASP 61 HD ASP 61 -9.483 20.218 -0.064 507 H GLU 62 H GLU 62 -4.684 20.840 -4.426 508 HA GLU 62 HA GLU 62 -2.730 18.849 -4.599 509 1HB GLU 62 1HB GLU 62 -3.194 20.895 -6.147 510 2HB GLU 62 2HB GLU 62 -2.223 21.815 -5.014 511 1HG GLU 62 1HG GLU 62 -0.888 19.300 -5.696 512 2HG GLU 62 2HG GLU 62 -1.287 20.193 -7.150 513 HE2 GLU 62 HE GLU 62 0.976 21.653 -7.411 514 H ASP 63 H ASP 63 -3.509 21.259 -2.182 515 HA ASP 63 HA ASP 63 -0.934 21.542 -1.127 516 1HB ASP 63 1HB ASP 63 -3.521 22.593 -0.657 517 2HB ASP 63 2HB ASP 63 -3.100 21.789 0.843 518 HD2 ASP 63 HD ASP 63 -2.652 24.542 -0.953 519 H ALA 64 H ALA 64 -3.792 19.430 -0.453 520 HA ALA 64 HA ALA 64 -2.489 18.129 1.753 521 1HB ALA 64 1HB ALA 64 -4.956 18.551 1.609 522 2HB ALA 64 2HB ALA 64 -5.034 17.405 0.248 523 3HB ALA 64 3HB ALA 64 -4.547 16.836 1.863 524 H VAL 65 H VAL 65 -2.530 17.886 -1.717 525 HA VAL 65 HA VAL 65 -2.037 15.086 -1.853 526 HB VAL 65 HB VAL 65 -2.752 17.106 -3.592 527 1HG1 VAL 65 1HG1 VAL 65 -1.069 17.169 -5.351 528 2HG1 VAL 65 2HG1 VAL 65 -0.375 17.765 -3.824 529 3HG1 VAL 65 3HG1 VAL 65 0.009 16.123 -4.393 530 1HG2 VAL 65 1HG2 VAL 65 -2.260 14.210 -3.684 531 2HG2 VAL 65 2HG2 VAL 65 -3.620 15.165 -4.322 532 3HG2 VAL 65 3HG2 VAL 65 -2.119 15.011 -5.268 533 H LYS 66 H LYS 66 -0.028 18.086 -1.856 534 HA LYS 66 HA LYS 66 2.395 16.610 -2.161 535 1HB LYS 66 1HB LYS 66 1.805 19.075 -2.818 536 2HB LYS 66 2HB LYS 66 2.233 19.442 -1.159 537 1HG LYS 66 1HG LYS 66 4.474 18.986 -1.484 538 2HG LYS 66 2HG LYS 66 4.158 17.661 -2.587 539 1HD LYS 66 1HD LYS 66 3.295 19.640 -4.186 540 2HD LYS 66 2HD LYS 66 4.341 20.616 -3.173 541 1HE LYS 66 1HE LYS 66 6.296 19.417 -3.808 542 2HE LYS 66 2HE LYS 66 5.385 18.020 -4.347 543 1HZ LYS 66 1HZ LYS 66 5.283 20.663 -5.701 544 2HZ LYS 66 2HZ LYS 66 6.207 19.420 -6.203 545 H ALA 67 H ALA 67 0.753 18.345 0.569 546 HA ALA 67 HA ALA 67 2.676 17.661 2.480 547 1HB ALA 67 1HB ALA 67 -0.291 18.155 2.933 548 2HB ALA 67 2HB ALA 67 1.050 18.456 4.065 549 3HB ALA 67 3HB ALA 67 0.879 19.453 2.600 550 H GLY 68 H GLY 68 -0.531 16.159 1.664 551 1HA GLY 68 1HA GLY 68 -0.492 14.088 3.483 552 2HA GLY 68 2HA GLY 68 -1.272 14.051 1.915 553 H ILE 69 H ILE 69 0.531 13.898 -0.010 554 HA ILE 69 HA ILE 69 1.564 11.340 0.161 555 HB ILE 69 HB ILE 69 1.021 12.866 -1.850 556 1HG1 ILE 69 1HG1 ILE 69 3.468 11.085 -1.997 557 2HG1 ILE 69 2HG1 ILE 69 1.826 10.483 -1.879 558 1HG2 ILE 69 1HG2 ILE 69 3.879 13.391 -2.224 559 2HG2 ILE 69 2HG2 ILE 69 2.466 14.425 -2.538 560 3HG2 ILE 69 3HG2 ILE 69 3.150 14.329 -0.898 561 1HD1 ILE 69 1HD1 ILE 69 1.463 12.195 -3.944 562 2HD1 ILE 69 2HD1 ILE 69 3.194 11.847 -4.172 563 3HD1 ILE 69 3HD1 ILE 69 2.010 10.518 -4.183 564 H LYS 70 H LYS 70 2.858 14.444 1.243 565 HA LYS 70 HA LYS 70 5.558 13.593 1.377 566 1HB LYS 70 1HB LYS 70 5.479 15.862 1.327 567 2HB LYS 70 2HB LYS 70 3.959 15.954 2.194 568 1HG LYS 70 1HG LYS 70 5.698 16.838 3.646 569 2HG LYS 70 2HG LYS 70 5.166 15.309 4.316 570 1HD LYS 70 1HD LYS 70 7.147 14.312 2.828 571 2HD LYS 70 2HD LYS 70 7.753 15.955 2.886 572 1HE LYS 70 1HE LYS 70 7.324 14.015 5.176 573 2HE LYS 70 2HE LYS 70 8.764 14.928 4.772 574 1HZ LYS 70 1HZ LYS 70 6.441 15.790 6.278 575 2HZ LYS 70 2HZ LYS 70 7.985 16.290 6.400 576 H ALA 71 H ALA 71 2.703 13.371 3.495 577 HA ALA 71 HA ALA 71 4.206 12.621 5.796 578 1HB ALA 71 1HB ALA 71 2.172 13.507 6.404 579 2HB ALA 71 2HB ALA 71 1.334 12.846 4.980 580 3HB ALA 71 3HB ALA 71 1.714 11.788 6.359 581 H LEU 72 H LEU 72 2.360 10.907 3.207 582 HA LEU 72 HA LEU 72 2.837 8.348 4.351 583 1HB LEU 72 1HB LEU 72 0.940 8.375 3.092 584 2HB LEU 72 2HB LEU 72 1.610 9.447 1.878 585 HG LEU 72 HG LEU 72 3.127 7.351 1.313 586 1HD1 LEU 72 1HD1 LEU 72 0.875 5.600 1.803 587 2HD1 LEU 72 2HD1 LEU 72 2.596 5.393 2.213 588 3HD1 LEU 72 3HD1 LEU 72 1.513 6.263 3.326 589 1HD2 LEU 72 1HD2 LEU 72 1.407 6.632 -0.340 590 2HD2 LEU 72 2HD2 LEU 72 0.235 7.691 0.482 591 3HD2 LEU 72 3HD2 LEU 72 1.677 8.391 -0.291 592 H GLN 73 H GLN 73 4.707 10.608 2.484 593 HA GLN 73 HA GLN 73 6.327 8.629 1.255 594 1HB GLN 73 1HB GLN 73 6.181 11.598 1.344 595 2HB GLN 73 2HB GLN 73 7.801 10.959 1.141 596 1HG GLN 73 1HG GLN 73 5.897 9.513 -0.555 597 2HG GLN 73 2HG GLN 73 5.815 11.237 -0.863 598 1HE2 GLN 73 1HE2 GLN 73 7.738 8.361 -0.991 599 2HE2 GLN 73 2HE2 GLN 73 9.066 8.974 -1.919 600 H GLU 74 H GLU 74 6.592 10.848 4.097 601 HA GLU 74 HA GLU 74 9.198 9.993 4.723 602 1HB GLU 74 1HB GLU 74 8.981 11.374 6.673 603 2HB GLU 74 2HB GLU 74 8.108 12.195 5.396 604 1HG GLU 74 1HG GLU 74 6.295 12.225 6.756 605 2HG GLU 74 2HG GLU 74 6.177 10.489 6.545 606 HE2 GLU 74 HE GLU 74 5.645 9.998 8.522 607 H ALA 75 H ALA 75 5.944 8.794 5.378 608 HA ALA 75 HA ALA 75 6.886 7.080 7.523 609 1HB ALA 75 1HB ALA 75 4.483 8.361 6.948 610 2HB ALA 75 2HB ALA 75 4.159 6.667 6.512 611 3HB ALA 75 3HB ALA 75 4.717 7.072 8.153 612 H SER 76 H SER 76 7.636 7.005 4.459 613 HA SER 76 HA SER 76 6.523 4.774 3.341 614 1HB SER 76 1HB SER 76 7.827 5.855 1.795 615 2HB SER 76 2HB SER 76 9.010 6.361 2.985 616 HG SER 76 HG SER 76 9.089 4.215 1.269 617 H GLY 77 H GLY 77 9.914 4.836 4.656 618 1HA GLY 77 1HA GLY 77 10.250 2.119 4.908 619 2HA GLY 77 2HA GLY 77 11.071 3.335 5.867 620 H PHE 78 H PHE 78 8.178 4.242 6.774 621 HA PHE 78 HA PHE 78 8.220 2.673 9.151 622 1HB PHE 78 1HB PHE 78 7.037 5.123 8.014 623 2HB PHE 78 2HB PHE 78 5.802 4.211 8.862 624 HD1 PHE 78 HD1 PHE 78 6.864 3.194 11.218 625 HD2 PHE 78 HD2 PHE 78 7.971 6.798 9.270 626 HE1 PHE 78 HE1 PHE 78 7.679 4.126 13.403 627 HE2 PHE 78 HE2 PHE 78 8.787 7.729 11.453 628 HZ PHE 78 HZ PHE 78 8.630 6.381 13.494 629 H ILE 79 H ILE 79 6.084 2.964 6.256 630 HA ILE 79 HA ILE 79 4.157 1.146 7.278 631 HB ILE 79 HB ILE 79 3.383 1.171 4.874 632 1HG1 ILE 79 1HG1 ILE 79 5.379 3.409 4.511 633 2HG1 ILE 79 2HG1 ILE 79 5.742 1.763 4.030 634 1HG2 ILE 79 1HG2 ILE 79 3.489 3.412 6.796 635 2HG2 ILE 79 2HG2 ILE 79 3.023 3.846 5.135 636 3HG2 ILE 79 3HG2 ILE 79 2.097 2.614 6.025 637 1HD1 ILE 79 1HD1 ILE 79 4.357 1.853 2.216 638 2HD1 ILE 79 2HD1 ILE 79 3.077 2.696 3.121 639 3HD1 ILE 79 3HD1 ILE 79 4.442 3.617 2.446 640 H ARG 80 H ARG 80 7.079 0.911 5.205 641 HA ARG 80 HA ARG 80 6.612 -1.712 4.423 642 1HB ARG 80 1HB ARG 80 8.224 -0.544 3.136 643 2HB ARG 80 2HB ARG 80 9.038 0.098 4.549 644 1HG ARG 80 1HG ARG 80 10.006 -2.079 5.081 645 2HG ARG 80 2HG ARG 80 9.025 -2.874 3.865 646 1HD ARG 80 1HD ARG 80 10.837 -2.606 2.494 647 2HD ARG 80 2HD ARG 80 10.297 -0.945 2.338 648 HE ARG 80 HE ARG 80 11.948 -1.338 4.710 649 1HH1 ARG 80 2HH2 ARG 80 12.067 -0.773 1.213 650 2HH1 ARG 80 1HH2 ARG 80 13.647 -0.062 1.258 651 1HH2 ARG 80 1HH ARG 80 14.782 0.148 3.358 652 H SER 81 H SER 81 8.515 -0.236 7.128 653 HA SER 81 HA SER 81 9.408 -2.742 8.065 654 1HB SER 81 1HB SER 81 10.721 -0.757 8.531 655 2HB SER 81 2HB SER 81 9.361 0.046 9.289 656 HG SER 81 HG SER 81 9.438 -1.475 11.025 657 H LEU 82 H LEU 82 6.618 -0.601 8.663 658 HA LEU 82 HA LEU 82 5.797 -1.791 11.076 659 1HB LEU 82 1HB LEU 82 5.070 0.399 10.486 660 2HB LEU 82 2HB LEU 82 4.375 -0.160 8.977 661 HG LEU 82 HG LEU 82 3.103 -1.640 11.036 662 1HD1 LEU 82 1HD1 LEU 82 3.095 1.325 11.655 663 2HD1 LEU 82 2HD1 LEU 82 2.173 0.050 12.486 664 3HD1 LEU 82 3HD1 LEU 82 3.948 0.083 12.601 665 1HD2 LEU 82 1HD2 LEU 82 1.889 0.731 9.630 666 2HD2 LEU 82 2HD2 LEU 82 2.295 -0.763 8.753 667 3HD2 LEU 82 3HD2 LEU 82 1.135 -0.811 10.101 668 H LEU 83 H LEU 83 5.367 -2.592 7.631 669 HA LEU 83 HA LEU 83 3.294 -4.477 8.099 670 1HB LEU 83 1HB LEU 83 5.153 -4.013 5.764 671 2HB LEU 83 2HB LEU 83 3.843 -5.177 5.761 672 HG LEU 83 HG LEU 83 3.127 -2.379 6.480 673 1HD1 LEU 83 1HD1 LEU 83 3.217 -2.825 3.567 674 2HD1 LEU 83 2HD1 LEU 83 3.570 -1.367 4.526 675 3HD1 LEU 83 3HD1 LEU 83 4.805 -2.637 4.351 676 1HD2 LEU 83 1HD2 LEU 83 1.149 -3.387 6.302 677 2HD2 LEU 83 2HD2 LEU 83 1.398 -3.336 4.540 678 3HD2 LEU 83 3HD2 LEU 83 1.846 -4.793 5.460 679 H GLY 84 H GLY 84 6.831 -4.802 7.320 680 1HA GLY 84 1HA GLY 84 7.099 -7.507 7.472 681 2HA GLY 84 2HA GLY 84 8.322 -6.360 7.977 682 H LYS 85 H LYS 85 7.129 -5.141 10.226 683 HA LYS 85 HA LYS 85 7.512 -7.214 12.145 684 1HB LYS 85 1HB LYS 85 7.389 -4.289 12.088 685 2HB LYS 85 2HB LYS 85 6.604 -4.967 13.500 686 1HG LYS 85 1HG LYS 85 8.799 -6.507 13.575 687 2HG LYS 85 2HG LYS 85 9.489 -5.197 12.637 688 1HD LYS 85 1HD LYS 85 7.948 -4.590 15.180 689 2HD LYS 85 2HD LYS 85 9.618 -5.113 15.273 690 1HE LYS 85 1HE LYS 85 10.384 -3.220 13.962 691 2HE LYS 85 2HE LYS 85 8.751 -2.796 13.492 692 1HZ LYS 85 1HZ LYS 85 8.301 -1.946 15.594 693 2HZ LYS 85 2HZ LYS 85 9.425 -2.843 16.357 694 H ALA 86 H ALA 86 4.736 -5.324 10.853 695 HA ALA 86 HA ALA 86 2.842 -6.228 12.687 696 1HB ALA 86 1HB ALA 86 2.697 -5.247 9.816 697 2HB ALA 86 2HB ALA 86 1.247 -5.632 10.774 698 3HB ALA 86 3HB ALA 86 2.352 -4.342 11.310 699 H MET 87 H MET 87 4.352 -7.728 9.843 700 HA MET 87 HA MET 87 2.537 -9.985 10.209 701 1HB MET 87 1HB MET 87 3.241 -8.533 7.889 702 2HB MET 87 2HB MET 87 4.243 -9.968 7.776 703 1HG MET 87 1HG MET 87 2.070 -11.319 8.289 704 2HG MET 87 2HG MET 87 1.205 -9.829 7.964 705 1HE MET 87 1HE MET 87 0.765 -9.068 5.066 706 2HE MET 87 2HE MET 87 1.975 -8.321 6.138 707 3HE MET 87 3HE MET 87 2.437 -8.839 4.499 708 H ARG 88 H ARG 88 5.296 -9.058 11.484 709 HA ARG 88 HA ARG 88 7.367 -9.913 11.682 710 1HB ARG 88 1HB ARG 88 5.281 -11.730 12.883 711 2HB ARG 88 2HB ARG 88 6.948 -12.265 12.964 712 1HG ARG 88 1HG ARG 88 7.517 -9.942 13.933 713 2HG ARG 88 2HG ARG 88 5.791 -9.671 14.073 714 1HD ARG 88 1HD ARG 88 5.995 -12.149 15.257 715 2HD ARG 88 2HD ARG 88 7.562 -11.482 15.663 716 HE ARG 88 HE ARG 88 6.519 -9.834 17.010 717 1HH1 ARG 88 2HH2 ARG 88 4.085 -11.666 15.198 718 2HH1 ARG 88 1HH2 ARG 88 2.755 -11.046 16.118 719 1HH2 ARG 88 1HH ARG 88 3.178 -9.492 17.893 720 H LEU 89 H LEU 89 7.882 -10.250 9.331 721 HA LEU 89 HA LEU 89 7.843 -13.106 8.636 722 1HB LEU 89 1HB LEU 89 6.653 -11.082 7.269 723 2HB LEU 89 2HB LEU 89 8.226 -11.109 6.498 724 HG LEU 89 HG LEU 89 7.928 -13.519 5.996 725 1HD1 LEU 89 1HD1 LEU 89 5.253 -13.084 7.328 726 2HD1 LEU 89 2HD1 LEU 89 5.554 -14.413 6.183 727 3HD1 LEU 89 3HD1 LEU 89 6.493 -14.307 7.690 728 1HD2 LEU 89 1HD2 LEU 89 6.691 -13.169 4.081 729 2HD2 LEU 89 2HD2 LEU 89 5.519 -12.107 4.898 730 3HD2 LEU 89 3HD2 LEU 89 7.153 -11.508 4.524 731 H ARG 90 H ARG 90 9.710 -12.470 6.352 732 HA ARG 90 HA ARG 90 12.052 -11.592 7.754 733 1HB ARG 90 1HB ARG 90 12.226 -13.919 8.313 734 2HB ARG 90 2HB ARG 90 11.652 -14.432 6.740 735 1HG ARG 90 1HG ARG 90 13.746 -14.372 5.843 736 2HG ARG 90 2HG ARG 90 14.063 -12.776 6.491 737 1HD ARG 90 1HD ARG 90 15.449 -13.712 8.026 738 2HD ARG 90 2HD ARG 90 14.067 -14.511 8.750 739 HE ARG 90 HE ARG 90 14.972 -15.945 6.396 740 1HH1 ARG 90 2HH2 ARG 90 15.721 -15.411 9.819 741 2HH1 ARG 90 1HH2 ARG 90 16.530 -16.930 10.007 742 1HH2 ARG 90 1HH ARG 90 16.708 -18.407 8.128 743 H ILE 91 H ILE 91 10.546 -12.993 4.784 744 HA ILE 91 HA ILE 91 12.393 -12.573 2.898 745 HB ILE 91 HB ILE 91 10.360 -11.849 1.452 746 1HG1 ILE 91 1HG1 ILE 91 8.604 -13.039 3.501 747 2HG1 ILE 91 2HG1 ILE 91 9.186 -11.435 3.898 748 1HG2 ILE 91 1HG2 ILE 91 9.493 -14.400 2.144 749 2HG2 ILE 91 2HG2 ILE 91 10.721 -13.981 0.924 750 3HG2 ILE 91 3HG2 ILE 91 11.216 -14.387 2.585 751 1HD1 ILE 91 1HD1 ILE 91 7.967 -10.437 2.237 752 2HD1 ILE 91 2HD1 ILE 91 8.311 -11.737 1.072 753 3HD1 ILE 91 3HD1 ILE 91 7.020 -11.943 2.278 754 H VAL 92 H VAL 92 10.714 -10.100 4.795 755 HA VAL 92 HA VAL 92 10.605 -7.844 4.415 756 HB VAL 92 HB VAL 92 13.539 -8.467 4.802 757 1HG1 VAL 92 1HG1 VAL 92 13.759 -6.235 4.566 758 2HG1 VAL 92 2HG1 VAL 92 12.014 -5.941 4.755 759 3HG1 VAL 92 3HG1 VAL 92 13.040 -6.160 6.194 760 1HG2 VAL 92 1HG2 VAL 92 11.772 -7.722 7.082 761 2HG2 VAL 92 2HG2 VAL 92 11.561 -9.351 6.399 762 3HG2 VAL 92 3HG2 VAL 92 13.153 -8.844 7.016 763 HA PRO 93 HA PRO 93 12.026 -7.864 0.067 764 1HB PRO 93 1HB PRO 93 9.599 -7.851 -1.190 765 2HB PRO 93 2HB PRO 93 10.533 -9.310 -0.925 766 1HG PRO 93 1HG PRO 93 8.110 -8.377 0.490 767 2HG PRO 93 2HG PRO 93 8.800 -9.987 0.438 768 1HD PRO 93 1HD PRO 93 8.974 -8.114 2.603 769 2HD PRO 93 2HD PRO 93 9.759 -9.678 2.504 770 H GLU 94 H GLU 94 11.726 -6.209 -1.683 771 HA GLU 94 HA GLU 94 11.676 -3.735 -0.380 772 1HB GLU 94 1HB GLU 94 12.854 -4.549 -2.614 773 2HB GLU 94 2HB GLU 94 11.371 -4.007 -3.375 774 1HG GLU 94 1HG GLU 94 11.654 -1.746 -2.450 775 2HG GLU 94 2HG GLU 94 13.035 -2.261 -1.502 776 HE2 GLU 94 HE GLU 94 14.108 -0.384 -3.901 777 H LEU 95 H LEU 95 9.396 -4.348 0.597 778 HA LEU 95 HA LEU 95 7.149 -4.138 -1.085 779 1HB LEU 95 1HB LEU 95 7.576 -4.989 1.423 780 2HB LEU 95 2HB LEU 95 6.960 -3.388 1.781 781 HG LEU 95 HG LEU 95 5.138 -4.333 -0.076 782 1HD1 LEU 95 1HD1 LEU 95 6.490 -6.598 0.565 783 2HD1 LEU 95 2HD1 LEU 95 5.204 -6.615 1.794 784 3HD1 LEU 95 3HD1 LEU 95 4.783 -6.548 0.066 785 1HD2 LEU 95 1HD2 LEU 95 4.794 -3.071 2.084 786 2HD2 LEU 95 2HD2 LEU 95 3.581 -4.318 1.711 787 3HD2 LEU 95 3HD2 LEU 95 4.848 -4.644 2.918 788 H THR 96 H THR 96 7.478 -2.324 -2.466 789 HA THR 96 HA THR 96 7.715 0.277 -1.180 790 HB THR 96 HB THR 96 8.834 -0.776 -3.437 791 HG1 THR 96 HG1 THR 96 9.337 1.442 -3.712 792 1HG2 THR 96 1HG2 THR 96 7.674 -0.290 -5.392 793 2HG2 THR 96 2HG2 THR 96 6.261 -0.581 -4.351 794 3HG2 THR 96 3HG2 THR 96 6.816 1.084 -4.654 795 H PHE 97 H PHE 97 6.272 2.081 -2.103 796 HA PHE 97 HA PHE 97 3.551 1.039 -2.424 797 1HB PHE 97 1HB PHE 97 2.818 2.746 -0.800 798 2HB PHE 97 2HB PHE 97 4.127 1.847 -0.057 799 HD1 PHE 97 HD1 PHE 97 6.525 2.877 -0.389 800 HD2 PHE 97 HD2 PHE 97 2.909 5.059 -0.799 801 HE1 PHE 97 HE1 PHE 97 7.772 5.019 0.007 802 HE2 PHE 97 HE2 PHE 97 4.156 7.201 -0.401 803 HZ PHE 97 HZ PHE 97 6.573 7.155 -0.005 804 H PHE 98 H PHE 98 2.839 1.687 -4.398 805 HA PHE 98 HA PHE 98 3.975 4.094 -5.544 806 1HB PHE 98 1HB PHE 98 2.809 1.539 -6.374 807 2HB PHE 98 2HB PHE 98 1.895 2.830 -7.128 808 HD1 PHE 98 HD1 PHE 98 2.690 3.832 -9.073 809 HD2 PHE 98 HD2 PHE 98 5.384 1.627 -6.646 810 HE1 PHE 98 HE1 PHE 98 4.464 4.057 -10.835 811 HE2 PHE 98 HE2 PHE 98 7.158 1.853 -8.408 812 HZ PHE 98 HZ PHE 98 6.676 3.066 -10.483 813 H TYR 99 H TYR 99 3.024 6.031 -5.137 814 HA TYR 99 HA TYR 99 0.200 6.052 -4.424 815 1HB TYR 99 1HB TYR 99 1.308 8.658 -4.404 816 2HB TYR 99 2HB TYR 99 1.198 7.607 -3.005 817 HD1 TYR 99 HD1 TYR 99 3.178 5.946 -2.626 818 HD2 TYR 99 HD2 TYR 99 3.404 9.375 -5.174 819 HE1 TYR 99 HE1 TYR 99 5.714 5.907 -2.466 820 HE2 TYR 99 HE2 TYR 99 5.939 9.325 -5.004 821 HH TYR 99 HH TYR 99 7.554 7.338 -2.715 822 H ASP 100 H ASP 100 -1.046 5.911 -6.280 823 HA ASP 100 HA ASP 100 -0.348 7.811 -8.372 824 1HB ASP 100 1HB ASP 100 -0.802 5.107 -8.591 825 2HB ASP 100 2HB ASP 100 -2.422 5.712 -8.868 826 HD2 ASP 100 HD ASP 100 -2.838 6.566 -10.723 827 H ASN 101 H ASN 101 -1.469 9.623 -7.336 828 HA ASN 101 HA ASN 101 -4.216 9.226 -6.627 829 1HB ASN 101 1HB ASN 101 -3.070 11.996 -6.739 830 2HB ASN 101 2HB ASN 101 -4.015 11.240 -5.470 831 1HD2 ASN 101 1HD2 ASN 101 -1.123 12.505 -6.134 832 2HD2 ASN 101 2HD2 ASN 101 -0.083 11.626 -5.062 833 H SER 102 H SER 102 -5.394 11.681 -7.370 834 HA SER 102 HA SER 102 -5.581 11.298 -10.212 835 1HB SER 102 1HB SER 102 -7.747 11.640 -9.633 836 2HB SER 102 2HB SER 102 -7.307 12.291 -8.067 837 HG SER 102 HG SER 102 -8.342 13.666 -10.033 838 H LEU 103 H LEU 103 -3.307 12.757 -8.547 839 HA LEU 103 HA LEU 103 -3.486 15.390 -9.776 840 1HB LEU 103 1HB LEU 103 -2.831 14.856 -7.325 841 2HB LEU 103 2HB LEU 103 -1.274 14.413 -7.998 842 HG LEU 103 HG LEU 103 -1.712 16.887 -9.138 843 1HD1 LEU 103 1HD1 LEU 103 -2.181 18.121 -6.774 844 2HD1 LEU 103 2HD1 LEU 103 -3.424 17.815 -8.010 845 3HD1 LEU 103 3HD1 LEU 103 -3.255 16.711 -6.624 846 1HD2 LEU 103 1HD2 LEU 103 -0.102 15.842 -6.857 847 2HD2 LEU 103 2HD2 LEU 103 0.417 16.561 -8.400 848 3HD2 LEU 103 3HD2 LEU 103 -0.182 17.606 -7.087 849 H VAL 104 H VAL 104 -2.691 12.372 -10.803 850 HA VAL 104 HA VAL 104 -0.662 13.466 -12.609 851 HB VAL 104 HB VAL 104 -0.480 11.111 -10.796 852 1HG1 VAL 104 1HG1 VAL 104 1.256 10.108 -12.353 853 2HG1 VAL 104 2HG1 VAL 104 -0.440 9.920 -12.859 854 3HG1 VAL 104 3HG1 VAL 104 0.588 11.151 -13.632 855 1HG2 VAL 104 1HG2 VAL 104 1.426 13.196 -11.885 856 2HG2 VAL 104 2HG2 VAL 104 0.873 12.966 -10.209 857 3HG2 VAL 104 3HG2 VAL 104 1.976 11.784 -10.953 858 H GLU 105 H GLU 105 -3.727 12.318 -12.210 859 HA GLU 105 HA GLU 105 -3.763 11.423 -14.949 860 1HB GLU 105 1HB GLU 105 -5.343 9.763 -12.995 861 2HB GLU 105 2HB GLU 105 -4.725 9.325 -14.576 862 1HG GLU 105 1HG GLU 105 -2.347 9.625 -13.470 863 2HG GLU 105 2HG GLU 105 -3.212 9.514 -11.951 864 HE2 GLU 105 HE GLU 105 -1.929 6.426 -12.853 865 H GLY 106 H GLY 106 -5.429 12.431 -11.945 866 1HA GLY 106 1HA GLY 106 -7.051 14.081 -11.859 867 2HA GLY 106 2HA GLY 106 -7.386 13.871 -13.566 868 H MET 107 H MET 107 -7.557 10.901 -13.453 869 HA MET 107 HA MET 107 -9.875 10.582 -11.729 870 1HB MET 107 1HB MET 107 -11.187 9.644 -13.566 871 2HB MET 107 2HB MET 107 -10.548 11.174 -14.134 872 1HG MET 107 1HG MET 107 -9.089 8.545 -14.642 873 2HG MET 107 2HG MET 107 -10.331 9.133 -15.728 874 1HE MET 107 1HE MET 107 -6.889 8.703 -16.017 875 2HE MET 107 2HE MET 107 -6.033 10.236 -15.724 876 3HE MET 107 3HE MET 107 -6.836 9.393 -14.377 877 H ARG 108 H ARG 108 -7.008 9.681 -11.634 878 HA ARG 108 HA ARG 108 -6.436 7.270 -12.490 879 1HB ARG 108 1HB ARG 108 -4.922 7.092 -10.688 880 2HB ARG 108 2HB ARG 108 -5.253 8.813 -10.705 881 1HG ARG 108 1HG ARG 108 -6.527 6.729 -8.875 882 2HG ARG 108 2HG ARG 108 -5.413 7.997 -8.401 883 1HD ARG 108 1HD ARG 108 -7.055 9.737 -8.946 884 2HD ARG 108 2HD ARG 108 -8.141 8.558 -9.657 885 HE ARG 108 HE ARG 108 -7.429 8.056 -6.837 886 1HH1 ARG 108 2HH2 ARG 108 -9.764 9.498 -9.079 887 2HH1 ARG 108 1HH2 ARG 108 -11.050 9.520 -7.919 888 1HH2 ARG 108 1HH ARG 108 -10.653 8.683 -5.707 Start of MODEL 15 1 H MET 1 H MET 1 -12.225 -8.034 -2.624 2 HA MET 1 HA MET 1 -10.652 -8.684 -4.761 3 1HB MET 1 1HB MET 1 -9.522 -6.555 -3.147 4 2HB MET 1 2HB MET 1 -8.551 -7.988 -2.877 5 1HG MET 1 1HG MET 1 -7.707 -6.638 -4.807 6 2HG MET 1 2HG MET 1 -8.170 -8.257 -5.296 7 1HE MET 1 1HE MET 1 -7.985 -4.991 -6.188 8 2HE MET 1 2HE MET 1 -9.385 -4.533 -7.187 9 3HE MET 1 3HE MET 1 -9.459 -4.357 -5.418 10 H ALA 2 H ALA 2 -11.652 -10.688 -4.056 11 HA ALA 2 HA ALA 2 -10.239 -11.860 -1.760 12 1HB ALA 2 1HB ALA 2 -13.031 -12.716 -2.474 13 2HB ALA 2 2HB ALA 2 -12.204 -12.734 -0.899 14 3HB ALA 2 3HB ALA 2 -12.809 -11.200 -1.569 15 H LYS 3 H LYS 3 -9.138 -13.701 -2.252 16 HA LYS 3 HA LYS 3 -10.082 -15.344 -4.439 17 1HB LYS 3 1HB LYS 3 -8.209 -13.395 -5.014 18 2HB LYS 3 2HB LYS 3 -7.207 -14.797 -4.699 19 1HG LYS 3 1HG LYS 3 -9.628 -14.877 -6.556 20 2HG LYS 3 2HG LYS 3 -8.008 -14.523 -7.121 21 1HD LYS 3 1HD LYS 3 -7.214 -16.697 -6.651 22 2HD LYS 3 2HD LYS 3 -8.455 -17.006 -5.453 23 1HE LYS 3 1HE LYS 3 -9.338 -18.256 -7.194 24 2HE LYS 3 2HE LYS 3 -10.090 -16.718 -7.571 25 1HZ LYS 3 1HZ LYS 3 -7.441 -17.355 -8.705 26 2HZ LYS 3 2HZ LYS 3 -8.783 -17.939 -9.417 27 H GLU 4 H GLU 4 -10.543 -16.860 -2.766 28 HA GLU 4 HA GLU 4 -8.280 -17.681 -1.174 29 1HB GLU 4 1HB GLU 4 -10.765 -17.334 -0.362 30 2HB GLU 4 2HB GLU 4 -11.039 -18.926 -1.042 31 1HG GLU 4 1HG GLU 4 -9.789 -19.993 0.581 32 2HG GLU 4 2HG GLU 4 -8.607 -18.702 0.675 33 HE2 GLU 4 HE GLU 4 -11.667 -19.625 2.413 34 H PHE 5 H PHE 5 -6.953 -18.692 -2.788 35 HA PHE 5 HA PHE 5 -7.934 -21.336 -3.510 36 1HB PHE 5 1HB PHE 5 -8.067 -19.296 -5.319 37 2HB PHE 5 2HB PHE 5 -6.364 -19.659 -5.504 38 HD1 PHE 5 HD1 PHE 5 -9.141 -22.053 -4.889 39 HD2 PHE 5 HD2 PHE 5 -6.262 -20.593 -7.643 40 HE1 PHE 5 HE1 PHE 5 -9.708 -23.916 -6.472 41 HE2 PHE 5 HE2 PHE 5 -6.831 -22.456 -9.226 42 HZ PHE 5 HZ PHE 5 -8.547 -24.095 -8.620 43 H GLY 6 H GLY 6 -6.364 -22.910 -3.325 44 1HA GLY 6 1HA GLY 6 -4.129 -22.642 -1.860 45 2HA GLY 6 2HA GLY 6 -4.303 -23.832 -3.136 46 H ARG 7 H ARG 7 -4.587 -21.536 -5.194 47 HA ARG 7 HA ARG 7 -1.989 -21.560 -6.039 48 1HB ARG 7 1HB ARG 7 -4.506 -20.378 -6.858 49 2HB ARG 7 2HB ARG 7 -3.258 -19.159 -7.020 50 1HG ARG 7 1HG ARG 7 -1.925 -21.276 -8.101 51 2HG ARG 7 2HG ARG 7 -3.566 -21.769 -8.470 52 1HD ARG 7 1HD ARG 7 -3.266 -18.937 -9.075 53 2HD ARG 7 2HD ARG 7 -1.971 -19.829 -9.849 54 HE ARG 7 HE ARG 7 -4.648 -21.023 -10.169 55 1HH1 ARG 7 2HH2 ARG 7 -2.209 -18.862 -11.560 56 2HH1 ARG 7 1HH2 ARG 7 -2.846 -18.974 -13.166 57 1HH2 ARG 7 1HH ARG 7 -4.773 -20.338 -13.571 58 HA PRO 8 HA PRO 8 -0.112 -18.079 -4.165 59 1HB PRO 8 1HB PRO 8 0.979 -16.554 -6.154 60 2HB PRO 8 2HB PRO 8 1.704 -18.042 -5.582 61 1HG PRO 8 1HG PRO 8 0.216 -17.550 -8.087 62 2HG PRO 8 2HG PRO 8 1.294 -18.874 -7.693 63 1HD PRO 8 1HD PRO 8 -1.572 -18.956 -7.758 64 2HD PRO 8 2HD PRO 8 -0.497 -20.245 -7.251 65 H GLN 9 H GLN 9 -2.928 -17.680 -5.630 66 HA GLN 9 HA GLN 9 -3.000 -14.840 -5.588 67 1HB GLN 9 1HB GLN 9 -4.572 -16.931 -6.683 68 2HB GLN 9 2HB GLN 9 -5.626 -16.118 -5.543 69 1HG GLN 9 1HG GLN 9 -5.988 -14.679 -7.295 70 2HG GLN 9 2HG GLN 9 -4.505 -13.933 -6.735 71 1HE2 GLN 9 1HE2 GLN 9 -3.798 -13.211 -8.670 72 2HE2 GLN 9 2HE2 GLN 9 -3.275 -14.222 -9.976 73 H ARG 10 H ARG 10 -4.052 -17.547 -3.465 74 HA ARG 10 HA ARG 10 -5.581 -16.085 -1.733 75 1HB ARG 10 1HB ARG 10 -5.310 -18.616 -1.808 76 2HB ARG 10 2HB ARG 10 -3.756 -18.436 -1.018 77 1HG ARG 10 1HG ARG 10 -6.058 -17.056 0.312 78 2HG ARG 10 2HG ARG 10 -6.108 -18.807 0.332 79 1HD ARG 10 1HD ARG 10 -3.411 -18.043 0.973 80 2HD ARG 10 2HD ARG 10 -4.469 -17.029 1.934 81 HE ARG 10 HE ARG 10 -5.292 -18.949 3.066 82 1HH1 ARG 10 2HH2 ARG 10 -3.120 -19.886 0.429 83 2HH1 ARG 10 1HH2 ARG 10 -2.968 -21.526 0.972 84 1HH2 ARG 10 1HH ARG 10 -4.137 -22.222 2.943 85 H VAL 11 H VAL 11 -2.103 -17.110 -1.315 86 HA VAL 11 HA VAL 11 -1.597 -15.678 0.975 87 HB VAL 11 HB VAL 11 -0.237 -17.381 -0.601 88 1HG1 VAL 11 1HG1 VAL 11 1.048 -14.669 -1.072 89 2HG1 VAL 11 2HG1 VAL 11 1.791 -16.242 -1.451 90 3HG1 VAL 11 3HG1 VAL 11 0.315 -15.727 -2.302 91 1HG2 VAL 11 1HG2 VAL 11 0.067 -16.704 1.856 92 2HG2 VAL 11 2HG2 VAL 11 1.512 -17.259 0.975 93 3HG2 VAL 11 3HG2 VAL 11 1.255 -15.520 1.258 94 H ALA 12 H ALA 12 -1.460 -14.649 -2.478 95 HA ALA 12 HA ALA 12 -0.344 -12.135 -2.007 96 1HB ALA 12 1HB ALA 12 -1.834 -11.762 -4.246 97 2HB ALA 12 2HB ALA 12 -0.284 -12.638 -4.236 98 3HB ALA 12 3HB ALA 12 -1.817 -13.541 -4.182 99 H GLN 13 H GLN 13 -3.698 -13.389 -1.839 100 HA GLN 13 HA GLN 13 -4.852 -10.835 -1.628 101 1HB GLN 13 1HB GLN 13 -5.800 -13.663 -1.099 102 2HB GLN 13 2HB GLN 13 -6.810 -12.303 -0.646 103 1HG GLN 13 1HG GLN 13 -5.785 -12.989 -3.434 104 2HG GLN 13 2HG GLN 13 -7.450 -12.985 -2.890 105 1HE2 GLN 13 1HE2 GLN 13 -4.715 -11.088 -3.866 106 2HE2 GLN 13 2HE2 GLN 13 -5.508 -9.559 -4.040 107 H GLU 14 H GLU 14 -4.508 -13.490 0.847 108 HA GLU 14 HA GLU 14 -5.296 -12.202 3.018 109 1HB GLU 14 1HB GLU 14 -3.257 -14.303 2.480 110 2HB GLU 14 2HB GLU 14 -3.100 -13.518 4.040 111 1HG GLU 14 1HG GLU 14 -5.757 -14.620 3.026 112 2HG GLU 14 2HG GLU 14 -4.629 -15.590 3.953 113 HE2 GLU 14 HE GLU 14 -5.345 -15.653 5.894 114 H MET 15 H MET 15 -2.100 -11.815 1.403 115 HA MET 15 HA MET 15 -1.107 -10.104 3.415 116 1HB MET 15 1HB MET 15 -0.201 -11.389 0.972 117 2HB MET 15 2HB MET 15 0.196 -9.685 0.856 118 1HG MET 15 1HG MET 15 1.626 -9.742 2.726 119 2HG MET 15 2HG MET 15 0.807 -11.114 3.447 120 1HE MET 15 1HE MET 15 3.866 -10.653 3.173 121 2HE MET 15 2HE MET 15 4.705 -11.568 1.897 122 3HE MET 15 3HE MET 15 3.907 -10.025 1.508 123 H GLN 16 H GLN 16 -2.748 -9.662 0.247 124 HA GLN 16 HA GLN 16 -2.293 -6.926 0.077 125 1HB GLN 16 1HB GLN 16 -3.104 -8.569 -1.741 126 2HB GLN 16 2HB GLN 16 -4.707 -8.389 -1.057 127 1HG GLN 16 1HG GLN 16 -3.408 -5.779 -1.466 128 2HG GLN 16 2HG GLN 16 -3.497 -6.695 -2.958 129 1HE2 GLN 16 1HE2 GLN 16 -4.942 -4.971 -3.596 130 2HE2 GLN 16 2HE2 GLN 16 -6.627 -5.052 -3.203 131 H LYS 17 H LYS 17 -4.729 -8.899 1.776 132 HA LYS 17 HA LYS 17 -6.434 -6.676 2.335 133 1HB LYS 17 1HB LYS 17 -7.869 -8.224 3.150 134 2HB LYS 17 2HB LYS 17 -6.860 -9.317 2.223 135 1HG LYS 17 1HG LYS 17 -6.849 -10.406 4.284 136 2HG LYS 17 2HG LYS 17 -5.411 -9.418 4.453 137 1HD LYS 17 1HD LYS 17 -7.044 -7.613 5.463 138 2HD LYS 17 2HD LYS 17 -8.164 -8.949 5.645 139 1HE LYS 17 1HE LYS 17 -5.781 -10.009 6.659 140 2HE LYS 17 2HE LYS 17 -5.710 -8.338 7.181 141 1HZ LYS 17 1HZ LYS 17 -7.468 -10.413 8.087 142 2HZ LYS 17 2HZ LYS 17 -7.097 -9.002 8.811 143 H GLU 18 H GLU 18 -3.781 -8.445 3.992 144 HA GLU 18 HA GLU 18 -4.140 -7.116 6.429 145 1HB GLU 18 1HB GLU 18 -2.928 -9.283 6.162 146 2HB GLU 18 2HB GLU 18 -1.650 -8.462 5.288 147 1HG GLU 18 1HG GLU 18 -0.831 -8.588 7.517 148 2HG GLU 18 2HG GLU 18 -1.400 -6.938 7.369 149 HE2 GLU 18 HE GLU 18 -2.840 -7.033 10.036 150 H ILE 19 H ILE 19 -2.139 -6.499 3.501 151 HA ILE 19 HA ILE 19 -0.773 -4.297 4.689 152 HB ILE 19 HB ILE 19 0.259 -4.032 2.592 153 1HG1 ILE 19 1HG1 ILE 19 -2.073 -5.583 1.452 154 2HG1 ILE 19 2HG1 ILE 19 -1.593 -3.935 1.094 155 1HG2 ILE 19 1HG2 ILE 19 1.420 -5.859 3.082 156 2HG2 ILE 19 2HG2 ILE 19 -0.009 -6.648 3.791 157 3HG2 ILE 19 3HG2 ILE 19 0.308 -6.784 2.045 158 1HD1 ILE 19 1HD1 ILE 19 -0.345 -6.522 0.185 159 2HD1 ILE 19 2HD1 ILE 19 -0.667 -5.034 -0.737 160 3HD1 ILE 19 3HD1 ILE 19 0.711 -5.103 0.387 161 H ALA 20 H ALA 20 -3.578 -4.730 2.456 162 HA ALA 20 HA ALA 20 -4.003 -2.054 1.898 163 1HB ALA 20 1HB ALA 20 -5.128 -3.757 0.646 164 2HB ALA 20 2HB ALA 20 -5.861 -4.448 2.115 165 3HB ALA 20 3HB ALA 20 -6.394 -2.858 1.517 166 H LEU 21 H LEU 21 -4.823 -4.039 4.757 167 HA LEU 21 HA LEU 21 -6.563 -2.109 5.887 168 1HB LEU 21 1HB LEU 21 -6.832 -4.377 6.490 169 2HB LEU 21 2HB LEU 21 -5.146 -4.548 6.936 170 HG LEU 21 HG LEU 21 -6.279 -2.477 8.556 171 1HD1 LEU 21 1HD1 LEU 21 -8.216 -3.266 9.429 172 2HD1 LEU 21 2HD1 LEU 21 -8.371 -3.961 7.799 173 3HD1 LEU 21 3HD1 LEU 21 -7.790 -4.971 9.144 174 1HD2 LEU 21 1HD2 LEU 21 -4.943 -5.112 8.905 175 2HD2 LEU 21 2HD2 LEU 21 -4.526 -3.511 9.560 176 3HD2 LEU 21 3HD2 LEU 21 -5.842 -4.458 10.295 177 H ILE 22 H ILE 22 -3.177 -3.138 6.735 178 HA ILE 22 HA ILE 22 -2.763 -1.074 8.550 179 HB ILE 22 HB ILE 22 -0.783 -2.622 6.877 180 1HG1 ILE 22 1HG1 ILE 22 -1.800 -3.163 9.682 181 2HG1 ILE 22 2HG1 ILE 22 -2.337 -4.011 8.244 182 1HG2 ILE 22 1HG2 ILE 22 0.037 -0.464 7.944 183 2HG2 ILE 22 2HG2 ILE 22 -0.246 -1.253 9.514 184 3HG2 ILE 22 3HG2 ILE 22 0.917 -1.953 8.362 185 1HD1 ILE 22 1HD1 ILE 22 0.620 -3.841 8.911 186 2HD1 ILE 22 2HD1 ILE 22 -0.420 -5.078 9.660 187 3HD1 ILE 22 3HD1 ILE 22 -0.223 -5.031 7.891 188 H LEU 23 H LEU 23 -2.961 -1.078 5.071 189 HA LEU 23 HA LEU 23 -1.425 1.362 4.826 190 1HB LEU 23 1HB LEU 23 -1.393 -0.547 3.175 191 2HB LEU 23 2HB LEU 23 -3.026 -0.097 2.725 192 HG LEU 23 HG LEU 23 -1.310 2.227 2.626 193 1HD1 LEU 23 1HD1 LEU 23 0.256 0.094 2.184 194 2HD1 LEU 23 2HD1 LEU 23 -0.410 0.306 0.548 195 3HD1 LEU 23 3HD1 LEU 23 0.457 1.645 1.336 196 1HD2 LEU 23 1HD2 LEU 23 -2.238 2.494 0.455 197 2HD2 LEU 23 2HD2 LEU 23 -2.667 0.769 0.350 198 3HD2 LEU 23 3HD2 LEU 23 -3.524 1.833 1.492 199 H GLN 24 H GLN 24 -4.660 0.352 5.548 200 HA GLN 24 HA GLN 24 -5.607 3.010 4.812 201 1HB GLN 24 1HB GLN 24 -6.834 0.308 4.706 202 2HB GLN 24 2HB GLN 24 -7.887 1.544 5.367 203 1HG GLN 24 1HG GLN 24 -7.084 2.974 3.285 204 2HG GLN 24 2HG GLN 24 -6.608 1.424 2.621 205 1HE2 GLN 24 1HE2 GLN 24 -8.046 0.850 1.181 206 2HE2 GLN 24 2HE2 GLN 24 -9.770 0.847 1.364 207 H ARG 25 H ARG 25 -4.510 1.131 7.392 208 HA ARG 25 HA ARG 25 -6.240 2.565 9.241 209 1HB ARG 25 1HB ARG 25 -5.267 -0.194 9.157 210 2HB ARG 25 2HB ARG 25 -4.772 0.567 10.655 211 1HG ARG 25 1HG ARG 25 -6.906 -0.281 11.194 212 2HG ARG 25 2HG ARG 25 -7.247 1.399 10.829 213 1HD ARG 25 1HD ARG 25 -7.388 0.067 8.323 214 2HD ARG 25 2HD ARG 25 -8.181 -1.013 9.451 215 HE ARG 25 HE ARG 25 -9.252 1.447 8.477 216 1HH1 ARG 25 2HH2 ARG 25 -8.952 -0.319 11.533 217 2HH1 ARG 25 1HH2 ARG 25 -10.377 0.382 12.223 218 1HH2 ARG 25 1HH ARG 25 -11.644 1.963 10.943 219 H GLU 26 H GLU 26 -2.878 1.165 9.012 220 HA GLU 26 HA GLU 26 -1.861 2.862 10.972 221 1HB GLU 26 1HB GLU 26 -0.056 1.514 10.753 222 2HB GLU 26 2HB GLU 26 -0.966 0.636 9.539 223 1HG GLU 26 1HG GLU 26 1.026 1.197 8.396 224 2HG GLU 26 2HG GLU 26 -0.091 2.431 7.852 225 HE2 GLU 26 HE GLU 26 1.172 3.964 10.944 226 H ILE 27 H ILE 27 -2.652 3.343 7.616 227 HA ILE 27 HA ILE 27 -0.772 5.482 7.225 228 HB ILE 27 HB ILE 27 -2.035 3.751 5.568 229 1HG1 ILE 27 1HG1 ILE 27 -0.692 6.404 5.110 230 2HG1 ILE 27 2HG1 ILE 27 -0.065 4.787 4.861 231 1HG2 ILE 27 1HG2 ILE 27 -3.588 5.066 4.162 232 2HG2 ILE 27 2HG2 ILE 27 -4.214 4.769 5.801 233 3HG2 ILE 27 3HG2 ILE 27 -3.553 6.366 5.377 234 1HD1 ILE 27 1HD1 ILE 27 -2.013 6.347 3.148 235 2HD1 ILE 27 2HD1 ILE 27 -0.533 5.484 2.664 236 3HD1 ILE 27 3HD1 ILE 27 -2.002 4.569 3.082 237 H LYS 28 H LYS 28 -1.879 7.626 6.257 238 HA LYS 28 HA LYS 28 -3.655 8.508 8.401 239 1HB LYS 28 1HB LYS 28 -2.964 10.788 7.667 240 2HB LYS 28 2HB LYS 28 -1.645 9.790 8.244 241 1HG LYS 28 1HG LYS 28 -1.929 9.310 5.414 242 2HG LYS 28 2HG LYS 28 -1.943 11.044 5.661 243 1HD LYS 28 1HD LYS 28 0.340 10.817 5.652 244 2HD LYS 28 2HD LYS 28 0.114 10.372 7.331 245 1HE LYS 28 1HE LYS 28 0.012 8.295 5.105 246 2HE LYS 28 2HE LYS 28 1.526 8.768 5.848 247 1HZ LYS 28 1HZ LYS 28 1.041 7.453 7.585 248 2HZ LYS 28 2HZ LYS 28 -0.369 8.217 7.874 249 H ASP 29 H ASP 29 -5.425 7.220 7.315 250 HA ASP 29 HA ASP 29 -6.309 8.319 4.825 251 1HB ASP 29 1HB ASP 29 -7.032 6.165 4.715 252 2HB ASP 29 2HB ASP 29 -6.805 5.930 6.436 253 HD2 ASP 29 HD ASP 29 -9.942 6.149 7.324 254 HA PRO 30 HA PRO 30 -9.667 9.661 7.959 255 1HB PRO 30 1HB PRO 30 -9.174 9.416 10.636 256 2HB PRO 30 2HB PRO 30 -10.075 8.228 9.716 257 1HG PRO 30 1HG PRO 30 -7.302 8.074 10.727 258 2HG PRO 30 2HG PRO 30 -8.349 6.774 10.192 259 1HD PRO 30 1HD PRO 30 -6.170 7.934 8.731 260 2HD PRO 30 2HD PRO 30 -7.289 6.715 8.153 261 H ARG 31 H ARG 31 -6.375 10.298 8.271 262 HA ARG 31 HA ARG 31 -6.811 12.764 9.630 263 1HB ARG 31 1HB ARG 31 -4.239 12.106 8.174 264 2HB ARG 31 2HB ARG 31 -4.451 12.945 9.699 265 1HG ARG 31 1HG ARG 31 -5.339 10.699 10.643 266 2HG ARG 31 2HG ARG 31 -4.739 9.957 9.174 267 1HD ARG 31 1HD ARG 31 -2.685 9.830 10.136 268 2HD ARG 31 2HD ARG 31 -2.596 11.579 10.091 269 HE ARG 31 HE ARG 31 -3.225 11.678 12.379 270 1HH1 ARG 31 2HH2 ARG 31 -3.425 8.352 11.174 271 2HH1 ARG 31 1HH2 ARG 31 -3.571 7.656 12.752 272 1HH2 ARG 31 1HH ARG 31 -3.565 9.091 14.673 273 H LEU 32 H LEU 32 -5.821 11.650 6.320 274 HA LEU 32 HA LEU 32 -5.706 14.282 5.271 275 1HB LEU 32 1HB LEU 32 -5.586 11.503 4.170 276 2HB LEU 32 2HB LEU 32 -5.832 12.848 3.074 277 HG LEU 32 HG LEU 32 -3.727 13.762 3.491 278 1HD1 LEU 32 1HD1 LEU 32 -2.255 13.002 5.380 279 2HD1 LEU 32 2HD1 LEU 32 -3.717 13.891 5.869 280 3HD1 LEU 32 3HD1 LEU 32 -3.658 12.120 6.031 281 1HD2 LEU 32 1HD2 LEU 32 -2.946 12.094 2.222 282 2HD2 LEU 32 2HD2 LEU 32 -2.272 11.444 3.736 283 3HD2 LEU 32 3HD2 LEU 32 -3.839 10.853 3.134 284 H GLY 33 H GLY 33 -8.257 11.978 5.945 285 1HA GLY 33 1HA GLY 33 -10.502 12.413 5.924 286 2HA GLY 33 2HA GLY 33 -10.228 13.892 5.026 287 H MET 34 H MET 34 -8.907 10.681 4.104 288 HA MET 34 HA MET 34 -10.902 10.545 2.000 289 1HB MET 34 1HB MET 34 -7.868 10.631 1.721 290 2HB MET 34 2HB MET 34 -8.821 9.784 0.520 291 1HG MET 34 1HG MET 34 -8.658 11.963 -0.389 292 2HG MET 34 2HG MET 34 -10.238 11.981 0.367 293 1HE MET 34 1HE MET 34 -7.970 14.503 -0.310 294 2HE MET 34 2HE MET 34 -6.914 14.809 1.090 295 3HE MET 34 3HE MET 34 -6.759 13.292 0.173 296 H MET 35 H MET 35 -10.724 8.320 0.806 297 HA MET 35 HA MET 35 -10.015 6.336 2.827 298 1HB MET 35 1HB MET 35 -12.524 6.822 1.941 299 2HB MET 35 2HB MET 35 -12.016 5.806 0.606 300 1HG MET 35 1HG MET 35 -11.321 4.032 2.291 301 2HG MET 35 2HG MET 35 -11.986 5.036 3.565 302 1HE MET 35 1HE MET 35 -14.171 2.012 1.201 303 2HE MET 35 2HE MET 35 -12.596 2.654 0.674 304 3HE MET 35 3HE MET 35 -12.772 1.950 2.299 305 H THR 36 H THR 36 -7.799 6.459 1.798 306 HA THR 36 HA THR 36 -7.122 6.012 -0.759 307 HB THR 36 HB THR 36 -5.106 4.867 0.215 308 HG1 THR 36 HG1 THR 36 -6.720 5.100 2.650 309 1HG2 THR 36 1HG2 THR 36 -4.352 6.665 1.549 310 2HG2 THR 36 2HG2 THR 36 -5.670 7.445 0.641 311 3HG2 THR 36 3HG2 THR 36 -5.945 6.892 2.310 312 H THR 37 H THR 37 -6.473 4.104 -2.015 313 HA THR 37 HA THR 37 -7.949 1.684 -1.296 314 HB THR 37 HB THR 37 -8.346 3.454 -3.738 315 HG1 THR 37 HG1 THR 37 -9.920 3.611 -2.080 316 1HG2 THR 37 1HG2 THR 37 -7.878 1.099 -4.559 317 2HG2 THR 37 2HG2 THR 37 -9.152 0.511 -3.463 318 3HG2 THR 37 3HG2 THR 37 -9.569 1.598 -4.809 319 H VAL 38 H VAL 38 -7.330 -0.184 -2.758 320 HA VAL 38 HA VAL 38 -4.537 0.156 -3.604 321 HB VAL 38 HB VAL 38 -5.809 -2.079 -2.019 322 1HG1 VAL 38 1HG1 VAL 38 -4.288 -2.878 -3.885 323 2HG1 VAL 38 2HG1 VAL 38 -2.962 -2.028 -3.055 324 3HG1 VAL 38 3HG1 VAL 38 -3.814 -3.360 -2.238 325 1HG2 VAL 38 1HG2 VAL 38 -4.624 -1.360 -0.215 326 2HG2 VAL 38 2HG2 VAL 38 -3.265 -0.767 -1.200 327 3HG2 VAL 38 3HG2 VAL 38 -4.751 0.203 -1.059 328 H SER 39 H SER 39 -5.318 0.519 -5.777 329 HA SER 39 HA SER 39 -6.847 -1.633 -6.923 330 1HB SER 39 1HB SER 39 -6.607 1.143 -7.417 331 2HB SER 39 2HB SER 39 -5.882 0.380 -8.818 332 HG SER 39 HG SER 39 -7.893 -0.995 -8.883 333 H GLY 40 H GLY 40 -3.966 -1.918 -5.934 334 1HA GLY 40 1HA GLY 40 -3.001 -3.492 -8.095 335 2HA GLY 40 2HA GLY 40 -2.116 -1.984 -7.988 336 H VAL 41 H VAL 41 -1.579 -5.010 -7.284 337 HA VAL 41 HA VAL 41 -0.037 -4.375 -4.931 338 HB VAL 41 HB VAL 41 -2.138 -5.021 -3.939 339 1HG1 VAL 41 1HG1 VAL 41 -3.502 -6.395 -5.052 340 2HG1 VAL 41 2HG1 VAL 41 -2.178 -6.964 -6.098 341 3HG1 VAL 41 3HG1 VAL 41 -2.464 -7.741 -4.522 342 1HG2 VAL 41 1HG2 VAL 41 -1.324 -7.239 -2.811 343 2HG2 VAL 41 2HG2 VAL 41 0.166 -6.943 -3.740 344 3HG2 VAL 41 3HG2 VAL 41 -0.407 -5.732 -2.569 345 H GLU 42 H GLU 42 1.888 -5.510 -4.915 346 HA GLU 42 HA GLU 42 2.046 -7.883 -6.532 347 1HB GLU 42 1HB GLU 42 3.883 -5.504 -7.054 348 2HB GLU 42 2HB GLU 42 3.981 -7.068 -7.839 349 1HG GLU 42 1HG GLU 42 1.721 -6.749 -8.819 350 2HG GLU 42 2HG GLU 42 1.550 -5.221 -7.977 351 HE2 GLU 42 HE GLU 42 1.615 -3.871 -9.539 352 H MET 43 H MET 43 3.525 -9.360 -5.690 353 HA MET 43 HA MET 43 5.362 -8.308 -3.693 354 1HB MET 43 1HB MET 43 3.952 -10.972 -3.283 355 2HB MET 43 2HB MET 43 4.679 -9.931 -2.076 356 1HG MET 43 1HG MET 43 2.522 -9.274 -1.659 357 2HG MET 43 2HG MET 43 2.739 -8.247 -3.063 358 1HE MET 43 1HE MET 43 -0.112 -10.178 -1.790 359 2HE MET 43 2HE MET 43 0.142 -8.548 -2.456 360 3HE MET 43 3HE MET 43 -0.872 -9.719 -3.333 361 H SER 44 H SER 44 7.361 -8.733 -4.540 362 HA SER 44 HA SER 44 7.652 -11.256 -5.956 363 1HB SER 44 1HB SER 44 8.507 -8.605 -6.543 364 2HB SER 44 2HB SER 44 9.964 -9.497 -6.153 365 HG SER 44 HG SER 44 9.638 -9.829 -8.344 366 H ARG 45 H ARG 45 8.363 -12.861 -4.586 367 HA ARG 45 HA ARG 45 10.194 -12.056 -2.491 368 1HB ARG 45 1HB ARG 45 8.287 -14.367 -2.887 369 2HB ARG 45 2HB ARG 45 9.683 -14.633 -1.862 370 1HG ARG 45 1HG ARG 45 8.629 -13.575 -0.160 371 2HG ARG 45 2HG ARG 45 8.610 -12.095 -1.098 372 1HD ARG 45 1HD ARG 45 6.312 -12.856 -0.356 373 2HD ARG 45 2HD ARG 45 6.455 -12.650 -2.091 374 HE ARG 45 HE ARG 45 7.133 -15.347 -1.520 375 1HH1 ARG 45 2HH2 ARG 45 4.290 -13.242 -1.314 376 2HH1 ARG 45 1HH2 ARG 45 3.161 -14.539 -1.518 377 1HH2 ARG 45 1HH ARG 45 3.978 -16.776 -1.795 378 H ASP 46 H ASP 46 10.258 -13.192 -5.646 379 HA ASP 46 HA ASP 46 11.842 -15.363 -5.700 380 1HB ASP 46 1HB ASP 46 11.667 -12.894 -7.441 381 2HB ASP 46 2HB ASP 46 12.891 -14.094 -7.803 382 HD2 ASP 46 HD ASP 46 11.008 -13.615 -9.620 383 H LEU 47 H LEU 47 12.570 -12.107 -4.596 384 HA LEU 47 HA LEU 47 15.273 -12.941 -3.955 385 1HB LEU 47 1HB LEU 47 14.593 -10.954 -6.008 386 2HB LEU 47 2HB LEU 47 15.722 -10.375 -4.801 387 HG LEU 47 HG LEU 47 16.359 -13.048 -5.886 388 1HD1 LEU 47 1HD1 LEU 47 15.455 -11.236 -7.759 389 2HD1 LEU 47 2HD1 LEU 47 17.218 -10.990 -7.779 390 3HD1 LEU 47 3HD1 LEU 47 16.541 -12.611 -8.066 391 1HD2 LEU 47 1HD2 LEU 47 18.607 -12.227 -5.827 392 2HD2 LEU 47 2HD2 LEU 47 18.048 -10.549 -5.632 393 3HD2 LEU 47 3HD2 LEU 47 17.795 -11.728 -4.324 394 H ALA 48 H ALA 48 13.233 -9.928 -3.981 395 HA ALA 48 HA ALA 48 12.379 -9.896 -1.445 396 1HB ALA 48 1HB ALA 48 14.429 -8.276 -0.601 397 2HB ALA 48 2HB ALA 48 14.270 -10.000 -0.191 398 3HB ALA 48 3HB ALA 48 15.313 -9.500 -1.544 399 H TYR 49 H TYR 49 11.197 -8.924 -3.533 400 HA TYR 49 HA TYR 49 11.341 -6.043 -3.153 401 1HB TYR 49 1HB TYR 49 11.158 -7.293 -5.936 402 2HB TYR 49 2HB TYR 49 11.669 -5.668 -5.527 403 HD1 TYR 49 HD1 TYR 49 13.850 -5.752 -3.807 404 HD2 TYR 49 HD2 TYR 49 12.829 -8.638 -6.794 405 HE1 TYR 49 HE1 TYR 49 16.279 -6.491 -3.933 406 HE2 TYR 49 HE2 TYR 49 15.262 -9.368 -6.910 407 HH TYR 49 HH TYR 49 17.439 -8.445 -6.446 408 H ALA 50 H ALA 50 9.320 -5.167 -3.039 409 HA ALA 50 HA ALA 50 7.144 -6.634 -4.331 410 1HB ALA 50 1HB ALA 50 7.656 -6.422 -1.469 411 2HB ALA 50 2HB ALA 50 6.095 -5.683 -1.901 412 3HB ALA 50 3HB ALA 50 6.430 -7.380 -2.332 413 H LYS 51 H LYS 51 5.220 -5.262 -4.688 414 HA LYS 51 HA LYS 51 5.704 -2.414 -4.340 415 1HB LYS 51 1HB LYS 51 4.677 -2.985 -7.011 416 2HB LYS 51 2HB LYS 51 5.950 -1.896 -6.503 417 1HG LYS 51 1HG LYS 51 7.507 -3.871 -6.273 418 2HG LYS 51 2HG LYS 51 6.232 -4.918 -6.865 419 1HD LYS 51 1HD LYS 51 6.668 -4.359 -9.023 420 2HD LYS 51 2HD LYS 51 6.550 -2.648 -8.668 421 1HE LYS 51 1HE LYS 51 9.005 -3.465 -7.498 422 2HE LYS 51 2HE LYS 51 8.945 -4.294 -9.040 423 1HZ LYS 51 1HZ LYS 51 9.432 -2.353 -10.024 424 2HZ LYS 51 2HZ LYS 51 8.078 -1.657 -9.448 425 H VAL 52 H VAL 52 3.970 -1.735 -3.207 426 HA VAL 52 HA VAL 52 1.404 -3.022 -3.829 427 HB VAL 52 HB VAL 52 2.536 -3.164 -1.502 428 1HG1 VAL 52 1HG1 VAL 52 1.397 -0.350 -1.398 429 2HG1 VAL 52 2HG1 VAL 52 1.943 -1.292 0.011 430 3HG1 VAL 52 3HG1 VAL 52 3.109 -0.814 -1.245 431 1HG2 VAL 52 1HG2 VAL 52 0.201 -3.846 -2.086 432 2HG2 VAL 52 2HG2 VAL 52 0.382 -3.250 -0.419 433 3HG2 VAL 52 3HG2 VAL 52 -0.338 -2.203 -1.664 434 H TYR 53 H TYR 53 -0.087 -1.811 -4.875 435 HA TYR 53 HA TYR 53 0.507 0.962 -5.362 436 1HB TYR 53 1HB TYR 53 -0.759 -1.197 -6.642 437 2HB TYR 53 2HB TYR 53 -2.139 -0.284 -6.064 438 HD1 TYR 53 HD1 TYR 53 1.147 0.976 -7.342 439 HD2 TYR 53 HD2 TYR 53 -3.072 0.675 -7.984 440 HE1 TYR 53 HE1 TYR 53 1.333 2.533 -9.344 441 HE2 TYR 53 HE2 TYR 53 -2.872 2.233 -9.984 442 HH TYR 53 HH TYR 53 0.087 3.923 -10.661 443 H VAL 54 H VAL 54 -0.883 2.754 -4.858 444 HA VAL 54 HA VAL 54 -3.083 2.274 -3.055 445 HB VAL 54 HB VAL 54 -2.228 3.549 -1.238 446 1HG1 VAL 54 1HG1 VAL 54 -0.420 2.124 -0.431 447 2HG1 VAL 54 2HG1 VAL 54 -1.633 1.150 -1.294 448 3HG1 VAL 54 3HG1 VAL 54 -0.093 1.561 -2.087 449 1HG2 VAL 54 1HG2 VAL 54 -0.936 5.228 -2.393 450 2HG2 VAL 54 2HG2 VAL 54 0.120 4.409 -1.218 451 3HG2 VAL 54 3HG2 VAL 54 0.236 4.010 -2.950 452 H THR 55 H THR 55 -4.686 3.570 -3.774 453 HA THR 55 HA THR 55 -3.874 6.051 -5.139 454 HB THR 55 HB THR 55 -5.001 4.834 -6.788 455 HG1 THR 55 HG1 THR 55 -6.738 6.205 -6.836 456 1HG2 THR 55 1HG2 THR 55 -5.577 2.766 -5.737 457 2HG2 THR 55 2HG2 THR 55 -6.499 3.582 -4.451 458 3HG2 THR 55 3HG2 THR 55 -7.159 3.495 -6.102 459 H PHE 56 H PHE 56 -4.502 7.984 -4.365 460 HA PHE 56 HA PHE 56 -6.438 7.895 -2.157 461 1HB PHE 56 1HB PHE 56 -4.198 9.932 -2.660 462 2HB PHE 56 2HB PHE 56 -5.092 9.708 -1.170 463 HD1 PHE 56 HD1 PHE 56 -4.938 6.656 -1.114 464 HD2 PHE 56 HD2 PHE 56 -2.009 9.645 -1.812 465 HE1 PHE 56 HE1 PHE 56 -3.153 5.102 -0.277 466 HE2 PHE 56 HE2 PHE 56 -0.223 8.093 -0.975 467 HZ PHE 56 HZ PHE 56 -0.817 5.839 -0.217 468 H LEU 57 H LEU 57 -7.458 10.177 -1.786 469 HA LEU 57 HA LEU 57 -8.161 11.222 -4.439 470 1HB LEU 57 1HB LEU 57 -9.920 10.047 -3.068 471 2HB LEU 57 2HB LEU 57 -9.795 11.353 -1.906 472 HG LEU 57 HG LEU 57 -10.279 12.880 -3.998 473 1HD1 LEU 57 1HD1 LEU 57 -10.655 10.205 -5.069 474 2HD1 LEU 57 2HD1 LEU 57 -12.127 11.193 -5.215 475 3HD1 LEU 57 3HD1 LEU 57 -10.593 11.776 -5.903 476 1HD2 LEU 57 1HD2 LEU 57 -12.708 12.696 -3.527 477 2HD2 LEU 57 2HD2 LEU 57 -12.381 11.229 -2.574 478 3HD2 LEU 57 3HD2 LEU 57 -11.706 12.793 -2.059 479 H ASN 58 H ASN 58 -5.764 11.923 -2.796 480 HA ASN 58 HA ASN 58 -6.307 14.361 -1.528 481 1HB ASN 58 1HB ASN 58 -3.954 12.700 -2.199 482 2HB ASN 58 2HB ASN 58 -3.595 14.411 -2.326 483 1HD2 ASN 58 1HD2 ASN 58 -5.205 15.520 -0.427 484 2HD2 ASN 58 2HD2 ASN 58 -4.739 15.008 1.161 485 H ASP 59 H ASP 59 -5.591 13.293 -4.842 486 HA ASP 59 HA ASP 59 -4.473 15.322 -6.072 487 1HB ASP 59 1HB ASP 59 -5.193 13.547 -7.449 488 2HB ASP 59 2HB ASP 59 -6.830 13.591 -6.825 489 HD2 ASP 59 HD ASP 59 -7.958 15.266 -9.460 490 H LYS 60 H LYS 60 -7.919 15.142 -4.978 491 HA LYS 60 HA LYS 60 -9.075 17.267 -6.087 492 1HB LYS 60 1HB LYS 60 -9.274 15.954 -3.437 493 2HB LYS 60 2HB LYS 60 -9.979 17.554 -3.538 494 1HG LYS 60 1HG LYS 60 -10.882 16.435 -5.901 495 2HG LYS 60 2HG LYS 60 -10.829 15.024 -4.862 496 1HD LYS 60 1HD LYS 60 -11.968 17.191 -3.336 497 2HD LYS 60 2HD LYS 60 -12.778 17.153 -4.890 498 1HE LYS 60 1HE LYS 60 -13.154 14.660 -4.567 499 2HE LYS 60 2HE LYS 60 -12.467 14.801 -2.962 500 1HZ LYS 60 1HZ LYS 60 -14.740 15.084 -2.599 501 2HZ LYS 60 2HZ LYS 60 -14.256 16.636 -2.670 502 H ASP 61 H ASP 61 -6.669 17.369 -3.403 503 HA ASP 61 HA ASP 61 -6.438 20.215 -3.985 504 1HB ASP 61 1HB ASP 61 -5.655 19.215 -1.270 505 2HB ASP 61 2HB ASP 61 -6.350 20.759 -1.725 506 HD2 ASP 61 HD ASP 61 -8.489 20.911 -0.969 507 H GLU 62 H GLU 62 -4.384 20.601 -4.826 508 HA GLU 62 HA GLU 62 -2.429 18.608 -4.785 509 1HB GLU 62 1HB GLU 62 -2.842 20.596 -6.454 510 2HB GLU 62 2HB GLU 62 -1.846 21.529 -5.355 511 1HG GLU 62 1HG GLU 62 -0.034 19.782 -5.567 512 2HG GLU 62 2HG GLU 62 -1.026 18.928 -6.734 513 HE2 GLU 62 HE GLU 62 0.428 20.105 -9.050 514 H ASP 63 H ASP 63 -3.336 21.087 -2.517 515 HA ASP 63 HA ASP 63 -0.801 21.489 -1.391 516 1HB ASP 63 1HB ASP 63 -3.384 22.552 -1.090 517 2HB ASP 63 2HB ASP 63 -3.100 21.762 0.449 518 HD2 ASP 63 HD ASP 63 -0.619 23.880 1.454 519 H ALA 64 H ALA 64 -3.651 19.366 -0.697 520 HA ALA 64 HA ALA 64 -2.391 18.189 1.600 521 1HB ALA 64 1HB ALA 64 -4.433 16.850 1.690 522 2HB ALA 64 2HB ALA 64 -4.852 18.555 1.393 523 3HB ALA 64 3HB ALA 64 -4.888 17.382 0.056 524 H VAL 65 H VAL 65 -2.359 17.767 -1.859 525 HA VAL 65 HA VAL 65 -1.776 14.973 -1.811 526 HB VAL 65 HB VAL 65 -2.607 16.810 -3.676 527 1HG1 VAL 65 1HG1 VAL 65 -0.958 16.983 -5.411 528 2HG1 VAL 65 2HG1 VAL 65 -0.223 17.577 -3.902 529 3HG1 VAL 65 3HG1 VAL 65 0.180 15.953 -4.510 530 1HG2 VAL 65 1HG2 VAL 65 -3.306 14.829 -4.432 531 2HG2 VAL 65 2HG2 VAL 65 -1.695 14.593 -5.150 532 3HG2 VAL 65 3HG2 VAL 65 -2.041 13.974 -3.518 533 H LYS 66 H LYS 66 0.079 18.051 -1.882 534 HA LYS 66 HA LYS 66 2.577 16.698 -2.199 535 1HB LYS 66 1HB LYS 66 1.609 19.331 -2.468 536 2HB LYS 66 2HB LYS 66 2.780 19.398 -1.165 537 1HG LYS 66 1HG LYS 66 4.186 19.659 -3.012 538 2HG LYS 66 2HG LYS 66 4.274 17.922 -2.788 539 1HD LYS 66 1HD LYS 66 3.560 17.682 -4.927 540 2HD LYS 66 2HD LYS 66 1.996 18.283 -4.416 541 1HE LYS 66 1HE LYS 66 2.337 20.362 -5.348 542 2HE LYS 66 2HE LYS 66 4.022 20.416 -4.872 543 1HZ LYS 66 1HZ LYS 66 4.409 18.727 -6.700 544 2HZ LYS 66 2HZ LYS 66 2.891 19.006 -7.218 545 H ALA 67 H ALA 67 0.879 18.400 0.520 546 HA ALA 67 HA ALA 67 2.856 17.759 2.415 547 1HB ALA 67 1HB ALA 67 1.603 19.181 3.625 548 2HB ALA 67 2HB ALA 67 0.468 19.269 2.257 549 3HB ALA 67 3HB ALA 67 0.206 18.080 3.554 550 H GLY 68 H GLY 68 -0.323 16.249 1.542 551 1HA GLY 68 1HA GLY 68 -0.350 14.237 3.449 552 2HA GLY 68 2HA GLY 68 -1.109 14.171 1.871 553 H ILE 69 H ILE 69 0.716 13.951 -0.024 554 HA ILE 69 HA ILE 69 1.710 11.391 0.202 555 HB ILE 69 HB ILE 69 1.248 12.857 -1.846 556 1HG1 ILE 69 1HG1 ILE 69 3.775 11.451 -2.400 557 2HG1 ILE 69 2HG1 ILE 69 2.625 10.503 -1.478 558 1HG2 ILE 69 1HG2 ILE 69 2.816 14.677 -1.149 559 2HG2 ILE 69 2HG2 ILE 69 4.169 13.573 -1.494 560 3HG2 ILE 69 3HG2 ILE 69 3.071 14.073 -2.803 561 1HD1 ILE 69 1HD1 ILE 69 2.505 10.492 -4.114 562 2HD1 ILE 69 2HD1 ILE 69 0.996 10.559 -3.172 563 3HD1 ILE 69 3HD1 ILE 69 1.660 12.043 -3.896 564 H LYS 70 H LYS 70 3.140 14.530 1.106 565 HA LYS 70 HA LYS 70 5.774 13.610 1.383 566 1HB LYS 70 1HB LYS 70 5.316 15.955 1.184 567 2HB LYS 70 2HB LYS 70 4.271 15.943 2.590 568 1HG LYS 70 1HG LYS 70 6.800 14.832 3.400 569 2HG LYS 70 2HG LYS 70 7.142 16.286 2.484 570 1HD LYS 70 1HD LYS 70 4.966 17.026 4.111 571 2HD LYS 70 2HD LYS 70 5.930 16.002 5.156 572 1HE LYS 70 1HE LYS 70 7.301 17.779 5.510 573 2HE LYS 70 2HE LYS 70 7.835 17.628 3.847 574 1HZ LYS 70 1HZ LYS 70 6.393 19.731 4.921 575 2HZ LYS 70 2HZ LYS 70 6.744 19.512 3.345 576 H ALA 71 H ALA 71 2.890 13.514 3.487 577 HA ALA 71 HA ALA 71 4.335 12.739 5.807 578 1HB ALA 71 1HB ALA 71 1.424 12.742 4.962 579 2HB ALA 71 2HB ALA 71 1.943 12.081 6.530 580 3HB ALA 71 3HB ALA 71 2.239 13.794 6.145 581 H LEU 72 H LEU 72 2.638 11.049 3.122 582 HA LEU 72 HA LEU 72 2.942 8.485 4.313 583 1HB LEU 72 1HB LEU 72 1.510 9.624 2.199 584 2HB LEU 72 2HB LEU 72 2.604 8.487 1.435 585 HG LEU 72 HG LEU 72 1.229 7.397 3.800 586 1HD1 LEU 72 1HD1 LEU 72 -0.721 7.227 1.739 587 2HD1 LEU 72 2HD1 LEU 72 -0.867 7.961 3.355 588 3HD1 LEU 72 3HD1 LEU 72 -0.326 8.946 1.973 589 1HD2 LEU 72 1HD2 LEU 72 0.936 6.127 1.154 590 2HD2 LEU 72 2HD2 LEU 72 2.613 6.370 1.696 591 3HD2 LEU 72 3HD2 LEU 72 1.475 5.449 2.708 592 H GLN 73 H GLN 73 5.032 10.686 2.623 593 HA GLN 73 HA GLN 73 6.698 8.659 1.539 594 1HB GLN 73 1HB GLN 73 6.343 11.386 1.100 595 2HB GLN 73 2HB GLN 73 7.894 11.338 1.915 596 1HG GLN 73 1HG GLN 73 7.780 9.191 -0.045 597 2HG GLN 73 2HG GLN 73 7.334 10.699 -0.817 598 1HE2 GLN 73 1HE2 GLN 73 8.985 11.575 -1.786 599 2HE2 GLN 73 2HE2 GLN 73 10.612 11.690 -1.204 600 H GLU 74 H GLU 74 6.827 10.931 4.357 601 HA GLU 74 HA GLU 74 9.324 9.998 5.220 602 1HB GLU 74 1HB GLU 74 8.773 11.244 7.318 603 2HB GLU 74 2HB GLU 74 8.520 12.203 5.873 604 1HG GLU 74 1HG GLU 74 6.232 12.276 6.150 605 2HG GLU 74 2HG GLU 74 6.141 10.631 6.746 606 HE2 GLU 74 HE GLU 74 5.623 13.425 9.164 607 H ALA 75 H ALA 75 5.970 8.940 5.690 608 HA ALA 75 HA ALA 75 6.752 7.145 7.838 609 1HB ALA 75 1HB ALA 75 4.465 6.919 8.246 610 2HB ALA 75 2HB ALA 75 4.561 8.584 7.622 611 3HB ALA 75 3HB ALA 75 4.024 7.263 6.556 612 H SER 76 H SER 76 7.661 7.032 4.863 613 HA SER 76 HA SER 76 6.395 4.860 3.700 614 1HB SER 76 1HB SER 76 7.717 6.134 2.237 615 2HB SER 76 2HB SER 76 9.061 6.224 3.356 616 HG SER 76 HG SER 76 8.327 3.644 2.384 617 H GLY 77 H GLY 77 9.804 4.858 4.966 618 1HA GLY 77 1HA GLY 77 10.121 2.145 5.190 619 2HA GLY 77 2HA GLY 77 10.946 3.339 6.172 620 H PHE 78 H PHE 78 8.072 4.257 7.100 621 HA PHE 78 HA PHE 78 8.093 2.643 9.443 622 1HB PHE 78 1HB PHE 78 6.936 5.122 8.352 623 2HB PHE 78 2HB PHE 78 5.682 4.203 9.163 624 HD1 PHE 78 HD1 PHE 78 6.953 3.034 11.454 625 HD2 PHE 78 HD2 PHE 78 7.621 6.846 9.713 626 HE1 PHE 78 HE1 PHE 78 7.748 3.908 13.669 627 HE2 PHE 78 HE2 PHE 78 8.415 7.720 11.929 628 HZ PHE 78 HZ PHE 78 8.468 6.239 13.881 629 H ILE 79 H ILE 79 5.914 3.034 6.582 630 HA ILE 79 HA ILE 79 3.988 1.207 7.556 631 HB ILE 79 HB ILE 79 3.225 1.266 5.151 632 1HG1 ILE 79 1HG1 ILE 79 5.259 3.474 4.812 633 2HG1 ILE 79 2HG1 ILE 79 5.595 1.826 4.320 634 1HG2 ILE 79 1HG2 ILE 79 3.531 3.779 6.801 635 2HG2 ILE 79 2HG2 ILE 79 2.552 3.706 5.317 636 3HG2 ILE 79 3HG2 ILE 79 2.139 2.673 6.707 637 1HD1 ILE 79 1HD1 ILE 79 3.126 2.147 3.186 638 2HD1 ILE 79 2HD1 ILE 79 3.727 3.821 3.124 639 3HD1 ILE 79 3HD1 ILE 79 4.649 2.513 2.344 640 H ARG 80 H ARG 80 6.944 0.956 5.545 641 HA ARG 80 HA ARG 80 6.448 -1.648 4.706 642 1HB ARG 80 1HB ARG 80 8.097 -0.402 3.496 643 2HB ARG 80 2HB ARG 80 8.948 0.066 4.955 644 1HG ARG 80 1HG ARG 80 9.908 -2.099 5.244 645 2HG ARG 80 2HG ARG 80 8.730 -2.865 4.197 646 1HD ARG 80 1HD ARG 80 9.854 -2.271 2.258 647 2HD ARG 80 2HD ARG 80 10.384 -0.731 2.906 648 HE ARG 80 HE ARG 80 11.864 -3.211 2.977 649 1HH1 ARG 80 2HH2 ARG 80 11.275 -0.275 4.870 650 2HH1 ARG 80 1HH2 ARG 80 12.799 -0.348 5.690 651 1HH2 ARG 80 1HH ARG 80 14.311 -2.141 5.197 652 H SER 81 H SER 81 8.300 -0.237 7.479 653 HA SER 81 HA SER 81 9.201 -2.734 8.392 654 1HB SER 81 1HB SER 81 10.127 -0.350 8.879 655 2HB SER 81 2HB SER 81 8.878 -0.242 10.103 656 HG SER 81 HG SER 81 10.687 -2.485 10.019 657 H LEU 82 H LEU 82 6.321 -0.694 8.964 658 HA LEU 82 HA LEU 82 5.430 -2.013 11.279 659 1HB LEU 82 1HB LEU 82 4.740 0.239 10.474 660 2HB LEU 82 2HB LEU 82 3.825 -0.531 9.193 661 HG LEU 82 HG LEU 82 3.329 -0.871 12.163 662 1HD1 LEU 82 1HD1 LEU 82 1.484 0.563 11.965 663 2HD1 LEU 82 2HD1 LEU 82 2.795 1.383 11.082 664 3HD1 LEU 82 3HD1 LEU 82 1.524 0.518 10.187 665 1HD2 LEU 82 1HD2 LEU 82 1.081 -1.783 10.971 666 2HD2 LEU 82 2HD2 LEU 82 2.302 -2.295 9.783 667 3HD2 LEU 82 3HD2 LEU 82 2.434 -2.821 11.478 668 H LEU 83 H LEU 83 5.062 -2.631 7.769 669 HA LEU 83 HA LEU 83 3.073 -4.606 8.063 670 1HB LEU 83 1HB LEU 83 5.061 -4.039 5.861 671 2HB LEU 83 2HB LEU 83 3.771 -5.219 5.742 672 HG LEU 83 HG LEU 83 3.007 -2.431 6.488 673 1HD1 LEU 83 1HD1 LEU 83 3.479 -1.415 4.538 674 2HD1 LEU 83 2HD1 LEU 83 4.751 -2.654 4.424 675 3HD1 LEU 83 3HD1 LEU 83 3.203 -2.885 3.576 676 1HD2 LEU 83 1HD2 LEU 83 1.789 -4.670 4.868 677 2HD2 LEU 83 2HD2 LEU 83 1.220 -3.966 6.400 678 3HD2 LEU 83 3HD2 LEU 83 1.116 -3.023 4.894 679 H GLY 84 H GLY 84 6.606 -4.957 7.259 680 1HA GLY 84 1HA GLY 84 6.908 -7.622 7.431 681 2HA GLY 84 2HA GLY 84 8.105 -6.478 8.007 682 H LYS 85 H LYS 85 7.049 -5.349 10.274 683 HA LYS 85 HA LYS 85 7.321 -7.451 12.137 684 1HB LYS 85 1HB LYS 85 7.016 -4.511 12.176 685 2HB LYS 85 2HB LYS 85 6.388 -5.331 13.589 686 1HG LYS 85 1HG LYS 85 8.584 -6.564 13.808 687 2HG LYS 85 2HG LYS 85 9.204 -5.651 12.447 688 1HD LYS 85 1HD LYS 85 8.110 -4.333 14.974 689 2HD LYS 85 2HD LYS 85 9.804 -4.725 14.758 690 1HE LYS 85 1HE LYS 85 9.542 -3.378 12.479 691 2HE LYS 85 2HE LYS 85 8.128 -2.695 13.257 692 1HZ LYS 85 1HZ LYS 85 10.452 -1.594 13.603 693 2HZ LYS 85 2HZ LYS 85 9.431 -1.679 14.870 694 H ALA 86 H ALA 86 4.540 -5.624 10.783 695 HA ALA 86 HA ALA 86 2.608 -6.567 12.548 696 1HB ALA 86 1HB ALA 86 2.561 -5.605 9.673 697 2HB ALA 86 2HB ALA 86 1.075 -6.064 10.540 698 3HB ALA 86 3HB ALA 86 2.082 -4.726 11.145 699 H MET 87 H MET 87 4.191 -8.030 9.705 700 HA MET 87 HA MET 87 2.464 -10.349 10.087 701 1HB MET 87 1HB MET 87 3.002 -10.916 7.746 702 2HB MET 87 2HB MET 87 2.478 -9.243 7.802 703 1HG MET 87 1HG MET 87 4.708 -8.406 7.561 704 2HG MET 87 2HG MET 87 5.431 -9.935 8.025 705 1HE MET 87 1HE MET 87 4.263 -8.530 3.919 706 2HE MET 87 2HE MET 87 3.023 -8.345 5.182 707 3HE MET 87 3HE MET 87 4.636 -7.627 5.407 708 H ARG 88 H ARG 88 5.175 -9.323 11.390 709 HA ARG 88 HA ARG 88 7.269 -10.105 11.626 710 1HB ARG 88 1HB ARG 88 5.173 -11.734 12.931 711 2HB ARG 88 2HB ARG 88 6.691 -12.600 12.797 712 1HG ARG 88 1HG ARG 88 7.820 -10.468 13.754 713 2HG ARG 88 2HG ARG 88 6.204 -9.912 14.145 714 1HD ARG 88 1HD ARG 88 6.000 -11.363 15.910 715 2HD ARG 88 2HD ARG 88 6.689 -12.701 15.013 716 HE ARG 88 HE ARG 88 8.818 -10.908 15.531 717 1HH1 ARG 88 2HH2 ARG 88 6.592 -12.932 17.402 718 2HH1 ARG 88 1HH2 ARG 88 7.700 -13.156 18.714 719 1HH2 ARG 88 1HH ARG 88 9.864 -12.131 18.608 720 H LEU 89 H LEU 89 7.760 -10.434 9.245 721 HA LEU 89 HA LEU 89 7.848 -13.294 8.580 722 1HB LEU 89 1HB LEU 89 6.673 -11.235 7.183 723 2HB LEU 89 2HB LEU 89 8.235 -11.374 6.402 724 HG LEU 89 HG LEU 89 7.797 -13.812 6.051 725 1HD1 LEU 89 1HD1 LEU 89 6.268 -14.485 7.655 726 2HD1 LEU 89 2HD1 LEU 89 5.202 -13.087 7.381 727 3HD1 LEU 89 3HD1 LEU 89 5.271 -14.402 6.183 728 1HD2 LEU 89 1HD2 LEU 89 7.206 -11.817 4.453 729 2HD2 LEU 89 2HD2 LEU 89 6.672 -13.472 4.074 730 3HD2 LEU 89 3HD2 LEU 89 5.529 -12.311 4.790 731 H ARG 90 H ARG 90 9.727 -12.650 6.327 732 HA ARG 90 HA ARG 90 12.028 -11.720 7.785 733 1HB ARG 90 1HB ARG 90 13.355 -13.756 6.966 734 2HB ARG 90 2HB ARG 90 12.204 -14.084 8.246 735 1HG ARG 90 1HG ARG 90 10.517 -14.744 6.433 736 2HG ARG 90 2HG ARG 90 11.816 -14.613 5.264 737 1HD ARG 90 1HD ARG 90 13.143 -16.296 6.633 738 2HD ARG 90 2HD ARG 90 11.747 -16.491 7.676 739 HE ARG 90 HE ARG 90 10.706 -16.907 5.140 740 1HH1 ARG 90 2HH2 ARG 90 13.401 -18.336 6.943 741 2HH1 ARG 90 1HH2 ARG 90 13.281 -19.870 6.150 742 1HH2 ARG 90 1HH ARG 90 11.596 -20.198 4.477 743 H ILE 91 H ILE 91 10.636 -13.083 4.734 744 HA ILE 91 HA ILE 91 12.511 -12.496 2.913 745 HB ILE 91 HB ILE 91 10.516 -11.913 1.400 746 1HG1 ILE 91 1HG1 ILE 91 8.714 -13.095 3.427 747 2HG1 ILE 91 2HG1 ILE 91 9.210 -11.446 3.752 748 1HG2 ILE 91 1HG2 ILE 91 11.545 -14.336 2.442 749 2HG2 ILE 91 2HG2 ILE 91 9.777 -14.516 2.347 750 3HG2 ILE 91 3HG2 ILE 91 10.705 -14.063 0.898 751 1HD1 ILE 91 1HD1 ILE 91 7.150 -12.181 2.050 752 2HD1 ILE 91 2HD1 ILE 91 7.980 -10.607 2.024 753 3HD1 ILE 91 3HD1 ILE 91 8.493 -11.902 0.915 754 H VAL 92 H VAL 92 10.606 -10.197 4.820 755 HA VAL 92 HA VAL 92 10.347 -7.940 4.461 756 HB VAL 92 HB VAL 92 13.292 -8.337 5.022 757 1HG1 VAL 92 1HG1 VAL 92 11.801 -6.111 6.286 758 2HG1 VAL 92 2HG1 VAL 92 13.450 -6.160 5.616 759 3HG1 VAL 92 3HG1 VAL 92 12.053 -5.966 4.530 760 1HG2 VAL 92 1HG2 VAL 92 11.556 -9.621 6.451 761 2HG2 VAL 92 2HG2 VAL 92 12.792 -8.648 7.287 762 3HG2 VAL 92 3HG2 VAL 92 11.134 -8.021 7.109 763 HA PRO 93 HA PRO 93 12.046 -7.745 0.224 764 1HB PRO 93 1HB PRO 93 9.702 -7.790 -1.182 765 2HB PRO 93 2HB PRO 93 10.678 -9.217 -0.900 766 1HG PRO 93 1HG PRO 93 8.135 -8.428 0.385 767 2HG PRO 93 2HG PRO 93 8.894 -10.007 0.331 768 1HD PRO 93 1HD PRO 93 8.856 -8.198 2.555 769 2HD PRO 93 2HD PRO 93 9.711 -9.725 2.461 770 H GLU 94 H GLU 94 12.016 -6.002 -1.355 771 HA GLU 94 HA GLU 94 11.566 -3.606 0.020 772 1HB GLU 94 1HB GLU 94 13.104 -4.360 -2.117 773 2HB GLU 94 2HB GLU 94 11.813 -3.521 -2.953 774 1HG GLU 94 1HG GLU 94 12.199 -1.480 -1.705 775 2HG GLU 94 2HG GLU 94 13.247 -2.295 -0.561 776 HE2 GLU 94 HE GLU 94 13.683 -0.140 -2.677 777 H LEU 95 H LEU 95 9.164 -4.490 0.444 778 HA LEU 95 HA LEU 95 7.328 -4.159 -1.685 779 1HB LEU 95 1HB LEU 95 5.657 -4.220 0.197 780 2HB LEU 95 2HB LEU 95 6.690 -5.622 0.002 781 HG LEU 95 HG LEU 95 7.863 -3.727 1.867 782 1HD1 LEU 95 1HD1 LEU 95 5.269 -4.885 2.860 783 2HD1 LEU 95 2HD1 LEU 95 6.278 -3.597 3.560 784 3HD1 LEU 95 3HD1 LEU 95 5.325 -3.280 2.091 785 1HD2 LEU 95 1HD2 LEU 95 6.917 -6.361 2.813 786 2HD2 LEU 95 2HD2 LEU 95 8.004 -6.396 1.404 787 3HD2 LEU 95 3HD2 LEU 95 8.525 -5.605 2.912 788 H THR 96 H THR 96 7.758 -2.126 -2.661 789 HA THR 96 HA THR 96 7.657 0.245 -1.022 790 HB THR 96 HB THR 96 9.058 -0.293 -3.206 791 HG1 THR 96 HG1 THR 96 9.223 1.829 -2.539 792 1HG2 THR 96 1HG2 THR 96 6.871 -0.762 -4.546 793 2HG2 THR 96 2HG2 THR 96 6.578 0.990 -4.438 794 3HG2 THR 96 3HG2 THR 96 8.027 0.379 -5.274 795 H PHE 97 H PHE 97 6.170 2.091 -1.679 796 HA PHE 97 HA PHE 97 3.519 0.981 -2.275 797 1HB PHE 97 1HB PHE 97 2.664 2.521 -0.544 798 2HB PHE 97 2HB PHE 97 3.977 1.605 0.170 799 HD1 PHE 97 HD1 PHE 97 2.683 4.837 -0.400 800 HD2 PHE 97 HD2 PHE 97 6.334 2.728 0.074 801 HE1 PHE 97 HE1 PHE 97 3.836 6.975 0.225 802 HE2 PHE 97 HE2 PHE 97 7.488 4.867 0.700 803 HZ PHE 97 HZ PHE 97 6.225 6.966 0.769 804 H PHE 98 H PHE 98 2.975 1.720 -4.282 805 HA PHE 98 HA PHE 98 3.962 4.311 -5.113 806 1HB PHE 98 1HB PHE 98 3.002 1.759 -6.251 807 2HB PHE 98 2HB PHE 98 2.173 3.103 -7.011 808 HD1 PHE 98 HD1 PHE 98 5.531 1.712 -6.303 809 HD2 PHE 98 HD2 PHE 98 3.255 4.436 -8.629 810 HE1 PHE 98 HE1 PHE 98 7.510 2.089 -7.799 811 HE2 PHE 98 HE2 PHE 98 5.235 4.814 -10.123 812 HZ PHE 98 HZ PHE 98 7.340 3.636 -9.691 813 H TYR 99 H TYR 99 2.813 6.121 -4.637 814 HA TYR 99 HA TYR 99 -0.004 5.870 -4.029 815 1HB TYR 99 1HB TYR 99 0.825 8.578 -4.048 816 2HB TYR 99 2HB TYR 99 0.823 7.542 -2.635 817 HD1 TYR 99 HD1 TYR 99 2.977 8.429 -5.573 818 HD2 TYR 99 HD2 TYR 99 2.820 7.171 -1.486 819 HE1 TYR 99 HE1 TYR 99 5.505 8.647 -5.400 820 HE2 TYR 99 HE2 TYR 99 5.348 7.393 -1.328 821 HH TYR 99 HH TYR 99 7.226 7.496 -2.599 822 H ASP 100 H ASP 100 -1.254 5.597 -5.862 823 HA ASP 100 HA ASP 100 -0.680 7.393 -8.067 824 1HB ASP 100 1HB ASP 100 -1.313 4.680 -7.987 825 2HB ASP 100 2HB ASP 100 -2.862 5.401 -8.370 826 HD2 ASP 100 HD ASP 100 0.093 5.899 -11.048 827 H ASN 101 H ASN 101 -1.706 9.339 -7.284 828 HA ASN 101 HA ASN 101 -4.419 9.096 -6.351 829 1HB ASN 101 1HB ASN 101 -3.108 11.780 -6.756 830 2HB ASN 101 2HB ASN 101 -4.130 11.241 -5.439 831 1HD2 ASN 101 1HD2 ASN 101 -3.161 9.312 -4.188 832 2HD2 ASN 101 2HD2 ASN 101 -1.509 9.470 -3.695 833 H SER 102 H SER 102 -5.635 11.432 -7.240 834 HA SER 102 HA SER 102 -5.933 10.852 -10.029 835 1HB SER 102 1HB SER 102 -7.528 13.106 -9.221 836 2HB SER 102 2HB SER 102 -8.060 11.484 -9.619 837 HG SER 102 HG SER 102 -8.705 11.929 -7.483 838 H LEU 103 H LEU 103 -3.550 12.385 -8.599 839 HA LEU 103 HA LEU 103 -3.724 14.894 -10.072 840 1HB LEU 103 1HB LEU 103 -3.103 14.862 -7.670 841 2HB LEU 103 2HB LEU 103 -1.669 13.940 -8.074 842 HG LEU 103 HG LEU 103 -1.406 16.090 -9.754 843 1HD1 LEU 103 1HD1 LEU 103 -3.481 17.000 -8.434 844 2HD1 LEU 103 2HD1 LEU 103 -2.264 17.399 -7.198 845 3HD1 LEU 103 3HD1 LEU 103 -2.120 18.074 -8.838 846 1HD2 LEU 103 1HD2 LEU 103 0.468 15.379 -8.590 847 2HD2 LEU 103 2HD2 LEU 103 0.140 16.970 -7.865 848 3HD2 LEU 103 3HD2 LEU 103 -0.340 15.486 -7.008 849 H VAL 104 H VAL 104 -2.965 11.757 -10.755 850 HA VAL 104 HA VAL 104 -1.069 12.620 -12.797 851 HB VAL 104 HB VAL 104 -0.647 10.451 -10.753 852 1HG1 VAL 104 1HG1 VAL 104 -0.099 9.178 -12.585 853 2HG1 VAL 104 2HG1 VAL 104 0.337 10.590 -13.578 854 3HG1 VAL 104 3HG1 VAL 104 1.452 10.011 -12.316 855 1HG2 VAL 104 1HG2 VAL 104 0.322 12.501 -10.072 856 2HG2 VAL 104 2HG2 VAL 104 1.662 11.537 -10.737 857 3HG2 VAL 104 3HG2 VAL 104 0.942 12.845 -11.703 858 H GLU 105 H GLU 105 -4.032 11.516 -12.129 859 HA GLU 105 HA GLU 105 -4.098 10.027 -14.588 860 1HB GLU 105 1HB GLU 105 -5.555 8.778 -12.262 861 2HB GLU 105 2HB GLU 105 -4.994 8.032 -13.744 862 1HG GLU 105 1HG GLU 105 -3.038 9.139 -11.690 863 2HG GLU 105 2HG GLU 105 -3.682 7.515 -11.552 864 HE2 GLU 105 HE GLU 105 -1.480 7.048 -11.819 865 H GLY 106 H GLY 106 -5.741 11.576 -11.805 866 1HA GLY 106 1HA GLY 106 -7.444 13.111 -11.948 867 2HA GLY 106 2HA GLY 106 -7.736 12.666 -13.617 868 H MET 107 H MET 107 -7.920 9.781 -13.261 869 HA MET 107 HA MET 107 -10.585 9.737 -12.194 870 1HB MET 107 1HB MET 107 -10.746 7.595 -13.348 871 2HB MET 107 2HB MET 107 -9.849 8.660 -14.412 872 1HG MET 107 1HG MET 107 -7.830 7.538 -12.830 873 2HG MET 107 2HG MET 107 -8.951 6.205 -13.019 874 1HE MET 107 1HE MET 107 -7.146 8.931 -15.971 875 2HE MET 107 2HE MET 107 -6.741 8.690 -14.254 876 3HE MET 107 3HE MET 107 -5.872 7.776 -15.511 877 H ARG 108 H ARG 108 -7.912 9.840 -10.543 878 HA ARG 108 HA ARG 108 -8.512 7.474 -8.955 879 1HB ARG 108 1HB ARG 108 -5.929 9.022 -9.404 880 2HB ARG 108 2HB ARG 108 -6.116 7.999 -7.994 881 1HG ARG 108 1HG ARG 108 -6.060 7.202 -10.914 882 2HG ARG 108 2HG ARG 108 -5.124 6.551 -9.583 883 1HD ARG 108 1HD ARG 108 -7.470 5.780 -8.631 884 2HD ARG 108 2HD ARG 108 -8.036 6.031 -10.271 885 HE ARG 108 HE ARG 108 -6.410 3.834 -9.354 886 1HH1 ARG 108 2HH2 ARG 108 -6.859 5.952 -12.159 887 2HH1 ARG 108 1HH2 ARG 108 -6.243 4.793 -13.289 888 1HH2 ARG 108 1HH ARG 108 -5.508 2.655 -12.495 Start of MODEL 16 1 H MET 1 H MET 1 -14.082 -12.444 -3.654 2 HA MET 1 HA MET 1 -14.091 -9.739 -3.331 3 1HB MET 1 1HB MET 1 -14.788 -11.317 -0.839 4 2HB MET 1 2HB MET 1 -13.712 -9.947 -0.644 5 1HG MET 1 1HG MET 1 -15.681 -8.847 -2.253 6 2HG MET 1 2HG MET 1 -16.617 -9.990 -1.310 7 1HE MET 1 1HE MET 1 -16.742 -8.650 2.155 8 2HE MET 1 2HE MET 1 -17.686 -9.289 0.790 9 3HE MET 1 3HE MET 1 -16.272 -10.187 1.391 10 H ALA 2 H ALA 2 -12.827 -12.915 -2.295 11 HA ALA 2 HA ALA 2 -10.123 -11.791 -2.542 12 1HB ALA 2 1HB ALA 2 -11.366 -13.487 -0.397 13 2HB ALA 2 2HB ALA 2 -9.663 -13.780 -0.825 14 3HB ALA 2 3HB ALA 2 -10.173 -12.171 -0.261 15 H LYS 3 H LYS 3 -8.656 -14.130 -2.474 16 HA LYS 3 HA LYS 3 -9.889 -15.834 -4.507 17 1HB LYS 3 1HB LYS 3 -8.498 -14.134 -5.650 18 2HB LYS 3 2HB LYS 3 -7.110 -14.637 -4.709 19 1HG LYS 3 1HG LYS 3 -7.372 -15.667 -7.074 20 2HG LYS 3 2HG LYS 3 -6.998 -16.766 -5.760 21 1HD LYS 3 1HD LYS 3 -9.255 -17.567 -5.628 22 2HD LYS 3 2HD LYS 3 -9.882 -16.217 -6.551 23 1HE LYS 3 1HE LYS 3 -9.743 -18.352 -7.885 24 2HE LYS 3 2HE LYS 3 -8.845 -17.031 -8.605 25 1HZ LYS 3 1HZ LYS 3 -7.101 -18.338 -6.864 26 2HZ LYS 3 2HZ LYS 3 -7.843 -19.512 -7.715 27 H GLU 4 H GLU 4 -10.260 -17.404 -2.869 28 HA GLU 4 HA GLU 4 -7.991 -18.255 -1.343 29 1HB GLU 4 1HB GLU 4 -9.722 -19.975 -0.477 30 2HB GLU 4 2HB GLU 4 -10.002 -18.287 -0.099 31 1HG GLU 4 1HG GLU 4 -11.748 -18.076 -1.683 32 2HG GLU 4 2HG GLU 4 -11.193 -19.440 -2.633 33 HE2 GLU 4 HE GLU 4 -13.367 -18.589 -0.236 34 H PHE 5 H PHE 5 -6.557 -19.040 -3.007 35 HA PHE 5 HA PHE 5 -7.374 -21.667 -3.987 36 1HB PHE 5 1HB PHE 5 -7.628 -19.842 -5.763 37 2HB PHE 5 2HB PHE 5 -5.942 -19.423 -5.534 38 HD1 PHE 5 HD1 PHE 5 -6.689 -22.941 -5.324 39 HD2 PHE 5 HD2 PHE 5 -5.741 -19.792 -8.007 40 HE1 PHE 5 HE1 PHE 5 -6.034 -24.624 -7.067 41 HE2 PHE 5 HE2 PHE 5 -5.086 -21.475 -9.750 42 HZ PHE 5 HZ PHE 5 -5.241 -23.871 -9.259 43 H GLY 6 H GLY 6 -5.840 -23.212 -3.608 44 1HA GLY 6 1HA GLY 6 -3.731 -23.005 -1.996 45 2HA GLY 6 2HA GLY 6 -3.774 -24.122 -3.346 46 H ARG 7 H ARG 7 -3.874 -21.852 -5.368 47 HA ARG 7 HA ARG 7 -1.206 -21.743 -5.908 48 1HB ARG 7 1HB ARG 7 -3.664 -20.612 -6.972 49 2HB ARG 7 2HB ARG 7 -2.418 -19.381 -7.011 50 1HG ARG 7 1HG ARG 7 -0.909 -21.322 -8.013 51 2HG ARG 7 2HG ARG 7 -2.444 -22.087 -8.374 52 1HD ARG 7 1HD ARG 7 -3.161 -19.964 -9.572 53 2HD ARG 7 2HD ARG 7 -1.556 -19.313 -9.301 54 HE ARG 7 HE ARG 7 -2.293 -21.426 -11.208 55 1HH1 ARG 7 2HH2 ARG 7 0.368 -19.897 -9.436 56 2HH1 ARG 7 1HH2 ARG 7 1.584 -20.452 -10.539 57 1HH2 ARG 7 1HH ARG 7 0.940 -21.779 -12.426 58 HA PRO 8 HA PRO 8 0.315 -18.231 -3.788 59 1HB PRO 8 1HB PRO 8 1.571 -16.640 -5.622 60 2HB PRO 8 2HB PRO 8 2.279 -18.111 -4.984 61 1HG PRO 8 1HG PRO 8 1.074 -17.634 -7.641 62 2HG PRO 8 2HG PRO 8 2.147 -18.926 -7.137 63 1HD PRO 8 1HD PRO 8 -0.687 -19.106 -7.535 64 2HD PRO 8 2HD PRO 8 0.366 -20.363 -6.920 65 H GLN 9 H GLN 9 -2.323 -17.906 -5.570 66 HA GLN 9 HA GLN 9 -2.508 -15.076 -5.525 67 1HB GLN 9 1HB GLN 9 -3.861 -17.197 -6.801 68 2HB GLN 9 2HB GLN 9 -5.067 -16.491 -5.742 69 1HG GLN 9 1HG GLN 9 -5.366 -14.954 -7.402 70 2HG GLN 9 2HG GLN 9 -3.896 -14.217 -6.794 71 1HE2 GLN 9 1HE2 GLN 9 -2.208 -14.040 -8.077 72 2HE2 GLN 9 2HE2 GLN 9 -1.982 -14.818 -9.608 73 H ARG 10 H ARG 10 -3.602 -17.816 -3.483 74 HA ARG 10 HA ARG 10 -5.374 -16.414 -1.927 75 1HB ARG 10 1HB ARG 10 -4.940 -18.950 -1.993 76 2HB ARG 10 2HB ARG 10 -3.551 -18.670 -0.961 77 1HG ARG 10 1HG ARG 10 -6.270 -17.594 -0.154 78 2HG ARG 10 2HG ARG 10 -5.883 -19.279 0.126 79 1HD ARG 10 1HD ARG 10 -3.598 -17.939 1.061 80 2HD ARG 10 2HD ARG 10 -4.905 -16.875 1.539 81 HE ARG 10 HE ARG 10 -5.420 -18.428 3.190 82 1HH1 ARG 10 2HH2 ARG 10 -4.002 -20.181 0.458 83 2HH1 ARG 10 1HH2 ARG 10 -4.112 -21.727 1.231 84 1HH2 ARG 10 1HH ARG 10 -5.035 -21.871 3.439 85 H VAL 11 H VAL 11 -1.805 -16.885 -1.660 86 HA VAL 11 HA VAL 11 -1.623 -15.518 0.833 87 HB VAL 11 HB VAL 11 -0.063 -17.248 -0.586 88 1HG1 VAL 11 1HG1 VAL 11 1.379 -14.579 -0.694 89 2HG1 VAL 11 2HG1 VAL 11 1.979 -16.160 -1.250 90 3HG1 VAL 11 3HG1 VAL 11 0.628 -15.371 -2.100 91 1HG2 VAL 11 1HG2 VAL 11 1.538 -17.020 1.202 92 2HG2 VAL 11 2HG2 VAL 11 0.958 -15.380 1.579 93 3HG2 VAL 11 3HG2 VAL 11 -0.094 -16.787 1.875 94 H ALA 12 H ALA 12 -1.450 -14.666 -2.629 95 HA ALA 12 HA ALA 12 -0.292 -12.132 -2.281 96 1HB ALA 12 1HB ALA 12 -0.200 -12.875 -4.467 97 2HB ALA 12 2HB ALA 12 -1.828 -13.593 -4.407 98 3HB ALA 12 3HB ALA 12 -1.638 -11.830 -4.565 99 H GLN 13 H GLN 13 -3.703 -13.317 -2.339 100 HA GLN 13 HA GLN 13 -4.782 -10.737 -2.140 101 1HB GLN 13 1HB GLN 13 -5.943 -13.488 -1.534 102 2HB GLN 13 2HB GLN 13 -6.893 -12.017 -1.494 103 1HG GLN 13 1HG GLN 13 -5.567 -13.345 -3.876 104 2HG GLN 13 2HG GLN 13 -7.240 -12.855 -3.689 105 1HE2 GLN 13 1HE2 GLN 13 -3.941 -11.760 -4.165 106 2HE2 GLN 13 2HE2 GLN 13 -4.297 -10.205 -4.838 107 H GLU 14 H GLU 14 -4.733 -13.439 0.306 108 HA GLU 14 HA GLU 14 -5.613 -12.129 2.434 109 1HB GLU 14 1HB GLU 14 -4.673 -14.564 2.144 110 2HB GLU 14 2HB GLU 14 -3.159 -13.888 2.712 111 1HG GLU 14 1HG GLU 14 -5.338 -12.968 4.416 112 2HG GLU 14 2HG GLU 14 -5.395 -14.714 4.285 113 HE2 GLU 14 HE GLU 14 -2.841 -12.664 6.311 114 H MET 15 H MET 15 -2.286 -11.936 1.070 115 HA MET 15 HA MET 15 -1.355 -10.299 3.180 116 1HB MET 15 1HB MET 15 -0.342 -11.084 0.407 117 2HB MET 15 2HB MET 15 0.541 -9.920 1.372 118 1HG MET 15 1HG MET 15 0.678 -11.604 3.244 119 2HG MET 15 2HG MET 15 -0.157 -12.769 2.236 120 1HE MET 15 1HE MET 15 2.378 -10.093 2.109 121 2HE MET 15 2HE MET 15 3.669 -11.154 2.725 122 3HE MET 15 3HE MET 15 3.665 -10.655 1.015 123 H GLN 16 H GLN 16 -2.743 -9.770 -0.082 124 HA GLN 16 HA GLN 16 -2.052 -7.083 -0.263 125 1HB GLN 16 1HB GLN 16 -2.784 -8.504 -2.179 126 2HB GLN 16 2HB GLN 16 -4.407 -8.561 -1.520 127 1HG GLN 16 1HG GLN 16 -3.487 -5.791 -1.679 128 2HG GLN 16 2HG GLN 16 -3.313 -6.574 -3.238 129 1HE2 GLN 16 1HE2 GLN 16 -4.957 -5.033 -3.868 130 2HE2 GLN 16 2HE2 GLN 16 -6.634 -5.403 -3.638 131 H LYS 17 H LYS 17 -4.779 -8.817 1.268 132 HA LYS 17 HA LYS 17 -6.258 -6.415 1.749 133 1HB LYS 17 1HB LYS 17 -7.834 -7.837 2.846 134 2HB LYS 17 2HB LYS 17 -7.302 -8.648 1.388 135 1HG LYS 17 1HG LYS 17 -5.875 -10.154 2.612 136 2HG LYS 17 2HG LYS 17 -5.957 -9.179 4.066 137 1HD LYS 17 1HD LYS 17 -8.660 -9.804 3.427 138 2HD LYS 17 2HD LYS 17 -7.765 -11.289 3.164 139 1HE LYS 17 1HE LYS 17 -6.673 -10.857 5.483 140 2HE LYS 17 2HE LYS 17 -7.905 -9.635 5.719 141 1HZ LYS 17 1HZ LYS 17 -8.427 -12.508 5.173 142 2HZ LYS 17 2HZ LYS 17 -8.657 -11.754 6.598 143 H GLU 18 H GLU 18 -3.927 -8.497 3.502 144 HA GLU 18 HA GLU 18 -4.338 -7.259 5.976 145 1HB GLU 18 1HB GLU 18 -3.292 -9.510 5.655 146 2HB GLU 18 2HB GLU 18 -1.886 -8.748 4.936 147 1HG GLU 18 1HG GLU 18 -1.058 -8.719 7.067 148 2HG GLU 18 2HG GLU 18 -2.088 -7.318 7.286 149 HE2 GLU 18 HE GLU 18 -2.253 -9.289 9.878 150 H ILE 19 H ILE 19 -2.020 -6.724 3.261 151 HA ILE 19 HA ILE 19 -0.622 -4.669 4.654 152 HB ILE 19 HB ILE 19 0.662 -4.457 2.706 153 1HG1 ILE 19 1HG1 ILE 19 -1.666 -5.709 1.236 154 2HG1 ILE 19 2HG1 ILE 19 -0.997 -4.102 1.028 155 1HG2 ILE 19 1HG2 ILE 19 1.570 -6.417 3.218 156 2HG2 ILE 19 2HG2 ILE 19 -0.002 -7.077 3.726 157 3HG2 ILE 19 3HG2 ILE 19 0.494 -7.172 2.019 158 1HD1 ILE 19 1HD1 ILE 19 0.245 -5.002 -0.651 159 2HD1 ILE 19 2HD1 ILE 19 1.230 -5.743 0.633 160 3HD1 ILE 19 3HD1 ILE 19 -0.097 -6.664 -0.114 161 H ALA 20 H ALA 20 -3.240 -4.834 2.183 162 HA ALA 20 HA ALA 20 -3.378 -2.107 1.660 163 1HB ALA 20 1HB ALA 20 -4.474 -3.712 0.239 164 2HB ALA 20 2HB ALA 20 -5.447 -4.335 1.593 165 3HB ALA 20 3HB ALA 20 -5.744 -2.696 0.962 166 H LEU 21 H LEU 21 -4.612 -4.105 4.349 167 HA LEU 21 HA LEU 21 -6.337 -2.088 5.357 168 1HB LEU 21 1HB LEU 21 -6.910 -4.270 5.908 169 2HB LEU 21 2HB LEU 21 -5.270 -4.707 6.345 170 HG LEU 21 HG LEU 21 -6.190 -2.600 8.087 171 1HD1 LEU 21 1HD1 LEU 21 -8.168 -4.709 7.451 172 2HD1 LEU 21 2HD1 LEU 21 -7.884 -4.400 9.181 173 3HD1 LEU 21 3HD1 LEU 21 -8.394 -3.072 8.111 174 1HD2 LEU 21 1HD2 LEU 21 -4.553 -3.789 9.082 175 2HD2 LEU 21 2HD2 LEU 21 -5.915 -4.767 9.679 176 3HD2 LEU 21 3HD2 LEU 21 -4.991 -5.303 8.255 177 H ILE 22 H ILE 22 -3.098 -3.357 6.413 178 HA ILE 22 HA ILE 22 -2.729 -1.448 8.401 179 HB ILE 22 HB ILE 22 -0.729 -3.007 6.763 180 1HG1 ILE 22 1HG1 ILE 22 -1.934 -3.589 9.485 181 2HG1 ILE 22 2HG1 ILE 22 -2.400 -4.372 7.988 182 1HG2 ILE 22 1HG2 ILE 22 0.108 -0.909 7.997 183 2HG2 ILE 22 2HG2 ILE 22 -0.214 -1.828 9.487 184 3HG2 ILE 22 3HG2 ILE 22 0.945 -2.452 8.291 185 1HD1 ILE 22 1HD1 ILE 22 -0.301 -5.460 7.746 186 2HD1 ILE 22 2HD1 ILE 22 0.506 -4.342 8.873 187 3HD1 ILE 22 3HD1 ILE 22 -0.634 -5.561 9.493 188 H LEU 23 H LEU 23 -2.574 -1.239 4.906 189 HA LEU 23 HA LEU 23 -0.980 1.174 4.989 190 1HB LEU 23 1HB LEU 23 -0.903 -0.710 3.230 191 2HB LEU 23 2HB LEU 23 -2.364 0.012 2.587 192 HG LEU 23 HG LEU 23 -1.087 2.190 2.383 193 1HD1 LEU 23 1HD1 LEU 23 1.428 1.902 2.239 194 2HD1 LEU 23 2HD1 LEU 23 0.724 1.913 3.874 195 3HD1 LEU 23 3HD1 LEU 23 1.210 0.374 3.126 196 1HD2 LEU 23 1HD2 LEU 23 -1.517 0.369 0.571 197 2HD2 LEU 23 2HD2 LEU 23 -0.360 1.685 0.248 198 3HD2 LEU 23 3HD2 LEU 23 0.233 0.072 0.713 199 H GLN 24 H GLN 24 -4.265 0.228 5.370 200 HA GLN 24 HA GLN 24 -5.105 2.916 4.616 201 1HB GLN 24 1HB GLN 24 -6.348 0.244 4.331 202 2HB GLN 24 2HB GLN 24 -7.441 1.451 4.979 203 1HG GLN 24 1HG GLN 24 -7.620 2.504 2.971 204 2HG GLN 24 2HG GLN 24 -5.880 2.570 2.769 205 1HE2 GLN 24 1HE2 GLN 24 -6.500 2.198 0.518 206 2HE2 GLN 24 2HE2 GLN 24 -6.682 0.575 -0.062 207 H ARG 25 H ARG 25 -4.286 0.933 7.238 208 HA ARG 25 HA ARG 25 -6.096 2.416 8.970 209 1HB ARG 25 1HB ARG 25 -4.903 -0.359 9.129 210 2HB ARG 25 2HB ARG 25 -5.246 0.474 10.632 211 1HG ARG 25 1HG ARG 25 -7.381 0.407 8.489 212 2HG ARG 25 2HG ARG 25 -7.106 -1.034 9.449 213 1HD ARG 25 1HD ARG 25 -7.650 0.089 11.505 214 2HD ARG 25 2HD ARG 25 -7.495 1.676 10.779 215 HE ARG 25 HE ARG 25 -9.506 0.542 9.277 216 1HH1 ARG 25 2HH2 ARG 25 -9.026 0.884 12.771 217 2HH1 ARG 25 1HH2 ARG 25 -10.721 0.939 13.124 218 1HH2 ARG 25 1HH ARG 25 -12.300 0.778 11.327 219 H GLU 26 H GLU 26 -2.803 0.848 8.944 220 HA GLU 26 HA GLU 26 -1.862 2.417 11.051 221 1HB GLU 26 1HB GLU 26 -0.119 0.979 10.930 222 2HB GLU 26 2HB GLU 26 -0.974 0.189 9.620 223 1HG GLU 26 1HG GLU 26 1.134 0.670 8.661 224 2HG GLU 26 2HG GLU 26 0.126 1.972 8.064 225 HE2 GLU 26 HE GLU 26 2.123 3.928 8.456 226 H ILE 27 H ILE 27 -2.381 3.062 7.678 227 HA ILE 27 HA ILE 27 -0.351 5.096 7.505 228 HB ILE 27 HB ILE 27 -1.558 3.494 5.691 229 1HG1 ILE 27 1HG1 ILE 27 -0.058 6.086 5.457 230 2HG1 ILE 27 2HG1 ILE 27 0.489 4.451 5.145 231 1HG2 ILE 27 1HG2 ILE 27 -2.948 4.922 4.226 232 2HG2 ILE 27 2HG2 ILE 27 -3.705 4.597 5.803 233 3HG2 ILE 27 3HG2 ILE 27 -2.950 6.179 5.488 234 1HD1 ILE 27 1HD1 ILE 27 -1.295 6.201 3.425 235 2HD1 ILE 27 2HD1 ILE 27 0.205 5.354 2.976 236 3HD1 ILE 27 3HD1 ILE 27 -1.296 4.432 3.229 237 H LYS 28 H LYS 28 -1.333 7.309 6.462 238 HA LYS 28 HA LYS 28 -3.168 8.242 8.535 239 1HB LYS 28 1HB LYS 28 -2.331 10.481 7.957 240 2HB LYS 28 2HB LYS 28 -1.045 9.398 8.446 241 1HG LYS 28 1HG LYS 28 -1.240 9.016 5.654 242 2HG LYS 28 2HG LYS 28 -1.465 10.741 5.864 243 1HD LYS 28 1HD LYS 28 0.939 10.183 5.594 244 2HD LYS 28 2HD LYS 28 0.633 10.898 7.165 245 1HE LYS 28 1HE LYS 28 0.951 8.873 8.314 246 2HE LYS 28 2HE LYS 28 0.490 7.892 6.936 247 1HZ LYS 28 1HZ LYS 28 2.882 9.505 6.562 248 2HZ LYS 28 2HZ LYS 28 3.030 8.293 7.639 249 H ASP 29 H ASP 29 -4.930 7.044 7.336 250 HA ASP 29 HA ASP 29 -5.641 8.251 4.832 251 1HB ASP 29 1HB ASP 29 -6.413 6.126 4.584 252 2HB ASP 29 2HB ASP 29 -6.264 5.802 6.299 253 HD2 ASP 29 HD ASP 29 -9.806 6.082 4.787 254 HA PRO 30 HA PRO 30 -9.163 9.529 7.804 255 1HB PRO 30 1HB PRO 30 -8.906 9.066 10.485 256 2HB PRO 30 2HB PRO 30 -9.771 7.990 9.406 257 1HG PRO 30 1HG PRO 30 -7.100 7.638 10.622 258 2HG PRO 30 2HG PRO 30 -8.148 6.430 9.907 259 1HD PRO 30 1HD PRO 30 -5.811 7.595 8.720 260 2HD PRO 30 2HD PRO 30 -6.925 6.474 7.962 261 H ARG 31 H ARG 31 -5.928 10.097 8.150 262 HA ARG 31 HA ARG 31 -6.426 12.506 9.671 263 1HB ARG 31 1HB ARG 31 -4.499 11.369 10.497 264 2HB ARG 31 2HB ARG 31 -3.937 10.950 8.892 265 1HG ARG 31 1HG ARG 31 -4.161 13.880 9.555 266 2HG ARG 31 2HG ARG 31 -2.857 12.982 10.309 267 1HD ARG 31 1HD ARG 31 -1.813 12.492 8.252 268 2HD ARG 31 2HD ARG 31 -3.299 12.645 7.336 269 HE ARG 31 HE ARG 31 -2.856 15.199 8.387 270 1HH1 ARG 31 2HH2 ARG 31 -1.035 12.979 6.312 271 2HH1 ARG 31 1HH2 ARG 31 -0.211 14.248 5.467 272 1HH2 ARG 31 1HH ARG 31 -0.657 16.529 6.050 273 H LEU 32 H LEU 32 -6.137 11.355 6.433 274 HA LEU 32 HA LEU 32 -5.068 13.845 5.402 275 1HB LEU 32 1HB LEU 32 -5.743 11.157 4.264 276 2HB LEU 32 2HB LEU 32 -5.595 12.539 3.197 277 HG LEU 32 HG LEU 32 -3.409 11.730 5.126 278 1HD1 LEU 32 1HD1 LEU 32 -4.075 9.915 3.449 279 2HD1 LEU 32 2HD1 LEU 32 -3.439 11.009 2.197 280 3HD1 LEU 32 3HD1 LEU 32 -2.368 10.416 3.488 281 1HD2 LEU 32 1HD2 LEU 32 -3.273 13.391 2.596 282 2HD2 LEU 32 2HD2 LEU 32 -3.406 14.062 4.241 283 3HD2 LEU 32 3HD2 LEU 32 -1.975 13.108 3.782 284 H GLY 33 H GLY 33 -8.134 12.273 6.084 285 1HA GLY 33 1HA GLY 33 -10.156 13.380 6.165 286 2HA GLY 33 2HA GLY 33 -9.525 14.657 5.143 287 H MET 34 H MET 34 -8.920 11.297 4.220 288 HA MET 34 HA MET 34 -11.244 11.204 2.551 289 1HB MET 34 1HB MET 34 -8.394 11.465 1.464 290 2HB MET 34 2HB MET 34 -9.684 10.778 0.497 291 1HG MET 34 1HG MET 34 -9.936 12.983 -0.158 292 2HG MET 34 2HG MET 34 -10.956 13.040 1.264 293 1HE MET 34 1HE MET 34 -6.668 13.263 1.192 294 2HE MET 34 2HE MET 34 -7.672 13.348 -0.275 295 3HE MET 34 3HE MET 34 -6.963 14.832 0.405 296 H MET 35 H MET 35 -10.985 9.082 1.036 297 HA MET 35 HA MET 35 -9.846 7.062 2.810 298 1HB MET 35 1HB MET 35 -12.483 7.375 1.998 299 2HB MET 35 2HB MET 35 -11.895 6.281 0.763 300 1HG MET 35 1HG MET 35 -10.879 4.937 2.822 301 2HG MET 35 2HG MET 35 -12.056 5.838 3.757 302 1HE MET 35 1HE MET 35 -12.357 2.592 3.649 303 2HE MET 35 2HE MET 35 -12.853 1.984 2.051 304 3HE MET 35 3HE MET 35 -11.289 2.813 2.242 305 H THR 36 H THR 36 -8.218 5.792 2.009 306 HA THR 36 HA THR 36 -7.505 6.161 -0.786 307 HB THR 36 HB THR 36 -5.415 4.966 0.004 308 HG1 THR 36 HG1 THR 36 -6.933 3.896 1.720 309 1HG2 THR 36 1HG2 THR 36 -6.056 6.988 2.164 310 2HG2 THR 36 2HG2 THR 36 -4.548 6.771 1.244 311 3HG2 THR 36 3HG2 THR 36 -5.952 7.552 0.478 312 H THR 37 H THR 37 -6.668 4.146 -1.977 313 HA THR 37 HA THR 37 -8.221 1.770 -1.320 314 HB THR 37 HB THR 37 -8.598 3.563 -3.746 315 HG1 THR 37 HG1 THR 37 -10.189 1.951 -1.877 316 1HG2 THR 37 1HG2 THR 37 -9.308 0.590 -3.508 317 2HG2 THR 37 2HG2 THR 37 -9.875 1.685 -4.793 318 3HG2 THR 37 3HG2 THR 37 -8.145 1.280 -4.667 319 H VAL 38 H VAL 38 -7.617 -0.085 -2.824 320 HA VAL 38 HA VAL 38 -4.820 0.237 -3.658 321 HB VAL 38 HB VAL 38 -5.091 -0.896 -1.443 322 1HG1 VAL 38 1HG1 VAL 38 -5.988 -3.411 -2.732 323 2HG1 VAL 38 2HG1 VAL 38 -6.339 -2.757 -1.114 324 3HG1 VAL 38 3HG1 VAL 38 -7.235 -2.156 -2.531 325 1HG2 VAL 38 1HG2 VAL 38 -3.056 -1.400 -2.396 326 2HG2 VAL 38 2HG2 VAL 38 -3.767 -3.027 -2.278 327 3HG2 VAL 38 3HG2 VAL 38 -3.789 -2.158 -3.832 328 H SER 39 H SER 39 -5.525 0.558 -5.840 329 HA SER 39 HA SER 39 -7.073 -1.606 -6.964 330 1HB SER 39 1HB SER 39 -6.897 1.178 -7.461 331 2HB SER 39 2HB SER 39 -6.181 0.425 -8.872 332 HG SER 39 HG SER 39 -8.088 -0.448 -9.446 333 H GLY 40 H GLY 40 -4.281 -2.023 -6.000 334 1HA GLY 40 1HA GLY 40 -3.275 -3.549 -8.110 335 2HA GLY 40 2HA GLY 40 -2.446 -2.006 -8.140 336 H VAL 41 H VAL 41 -1.691 -4.922 -7.310 337 HA VAL 41 HA VAL 41 -0.126 -4.081 -5.036 338 HB VAL 41 HB VAL 41 -2.347 -6.081 -4.884 339 1HG1 VAL 41 1HG1 VAL 41 -1.260 -7.048 -2.838 340 2HG1 VAL 41 2HG1 VAL 41 -0.454 -7.469 -4.369 341 3HG1 VAL 41 3HG1 VAL 41 0.244 -6.219 -3.310 342 1HG2 VAL 41 1HG2 VAL 41 -3.133 -4.453 -3.568 343 2HG2 VAL 41 2HG2 VAL 41 -1.868 -4.895 -2.396 344 3HG2 VAL 41 3HG2 VAL 41 -1.571 -3.598 -3.578 345 H GLU 42 H GLU 42 1.760 -5.402 -4.748 346 HA GLU 42 HA GLU 42 2.055 -7.669 -6.453 347 1HB GLU 42 1HB GLU 42 3.880 -5.265 -6.888 348 2HB GLU 42 2HB GLU 42 3.989 -6.810 -7.711 349 1HG GLU 42 1HG GLU 42 1.660 -6.438 -8.631 350 2HG GLU 42 2HG GLU 42 1.644 -4.857 -7.876 351 HE2 GLU 42 HE GLU 42 4.823 -5.036 -10.087 352 H MET 43 H MET 43 3.463 -9.139 -5.519 353 HA MET 43 HA MET 43 5.289 -8.071 -3.523 354 1HB MET 43 1HB MET 43 4.065 -10.716 -2.877 355 2HB MET 43 2HB MET 43 4.381 -9.359 -1.813 356 1HG MET 43 1HG MET 43 2.378 -8.173 -2.674 357 2HG MET 43 2HG MET 43 2.085 -9.457 -3.830 358 1HE MET 43 1HE MET 43 0.350 -8.104 -1.654 359 2HE MET 43 2HE MET 43 -0.267 -9.217 -0.410 360 3HE MET 43 3HE MET 43 1.237 -8.311 -0.126 361 H SER 44 H SER 44 7.278 -8.565 -4.357 362 HA SER 44 HA SER 44 7.524 -11.163 -5.643 363 1HB SER 44 1HB SER 44 8.429 -8.549 -6.362 364 2HB SER 44 2HB SER 44 9.864 -9.475 -5.968 365 HG SER 44 HG SER 44 8.590 -11.193 -7.410 366 H ARG 45 H ARG 45 8.224 -12.698 -4.191 367 HA ARG 45 HA ARG 45 10.084 -11.801 -2.159 368 1HB ARG 45 1HB ARG 45 8.998 -14.606 -2.141 369 2HB ARG 45 2HB ARG 45 9.269 -13.516 -0.796 370 1HG ARG 45 1HG ARG 45 7.301 -12.145 -2.146 371 2HG ARG 45 2HG ARG 45 6.873 -13.794 -2.560 372 1HD ARG 45 1HD ARG 45 7.518 -13.170 0.329 373 2HD ARG 45 2HD ARG 45 5.970 -12.646 -0.307 374 HE ARG 45 HE ARG 45 6.760 -15.381 0.273 375 1HH1 ARG 45 2HH2 ARG 45 4.704 -13.431 -1.853 376 2HH1 ARG 45 1HH2 ARG 45 3.585 -14.718 -2.157 377 1HH2 ARG 45 1HH ARG 45 3.945 -16.854 -1.133 378 H ASP 46 H ASP 46 10.183 -13.000 -5.247 379 HA ASP 46 HA ASP 46 11.792 -15.225 -5.088 380 1HB ASP 46 1HB ASP 46 11.133 -13.142 -7.121 381 2HB ASP 46 2HB ASP 46 12.649 -13.976 -7.399 382 HD2 ASP 46 HD ASP 46 10.912 -14.380 -9.242 383 H LEU 47 H LEU 47 12.379 -11.907 -4.279 384 HA LEU 47 HA LEU 47 15.207 -12.479 -3.943 385 1HB LEU 47 1HB LEU 47 14.081 -10.491 -5.832 386 2HB LEU 47 2HB LEU 47 15.427 -9.958 -4.845 387 HG LEU 47 HG LEU 47 16.093 -12.526 -5.912 388 1HD1 LEU 47 1HD1 LEU 47 16.012 -12.111 -8.306 389 2HD1 LEU 47 2HD1 LEU 47 14.372 -12.102 -7.614 390 3HD1 LEU 47 3HD1 LEU 47 15.170 -10.567 -8.032 391 1HD2 LEU 47 1HD2 LEU 47 17.816 -11.055 -5.321 392 2HD2 LEU 47 2HD2 LEU 47 17.857 -11.098 -7.099 393 3HD2 LEU 47 3HD2 LEU 47 17.120 -9.713 -6.259 394 H ALA 48 H ALA 48 13.018 -9.584 -3.775 395 HA ALA 48 HA ALA 48 12.335 -9.550 -1.207 396 1HB ALA 48 1HB ALA 48 14.345 -8.029 -0.309 397 2HB ALA 48 2HB ALA 48 14.379 -9.803 -0.168 398 3HB ALA 48 3HB ALA 48 15.271 -8.998 -1.480 399 H TYR 49 H TYR 49 11.147 -8.552 -3.345 400 HA TYR 49 HA TYR 49 11.158 -5.708 -2.816 401 1HB TYR 49 1HB TYR 49 11.489 -5.214 -5.238 402 2HB TYR 49 2HB TYR 49 12.846 -6.169 -4.677 403 HD1 TYR 49 HD1 TYR 49 9.866 -6.126 -6.809 404 HD2 TYR 49 HD2 TYR 49 13.099 -8.523 -5.360 405 HE1 TYR 49 HE1 TYR 49 9.427 -7.838 -8.638 406 HE2 TYR 49 HE2 TYR 49 12.650 -10.226 -7.193 407 HH TYR 49 HH TYR 49 9.982 -9.736 -9.494 408 H ALA 50 H ALA 50 9.092 -4.932 -2.834 409 HA ALA 50 HA ALA 50 7.125 -6.374 -4.441 410 1HB ALA 50 1HB ALA 50 7.102 -5.964 -1.443 411 2HB ALA 50 2HB ALA 50 5.583 -6.118 -2.361 412 3HB ALA 50 3HB ALA 50 6.769 -7.444 -2.375 413 H LYS 51 H LYS 51 5.260 -5.062 -4.991 414 HA LYS 51 HA LYS 51 5.556 -2.234 -4.300 415 1HB LYS 51 1HB LYS 51 4.672 -2.501 -7.028 416 2HB LYS 51 2HB LYS 51 6.021 -1.595 -6.378 417 1HG LYS 51 1HG LYS 51 7.397 -3.705 -6.343 418 2HG LYS 51 2HG LYS 51 6.050 -4.574 -7.052 419 1HD LYS 51 1HD LYS 51 7.375 -4.028 -8.933 420 2HD LYS 51 2HD LYS 51 6.130 -2.794 -8.957 421 1HE LYS 51 1HE LYS 51 7.590 -1.109 -8.147 422 2HE LYS 51 2HE LYS 51 8.706 -2.267 -7.451 423 1HZ LYS 51 1HZ LYS 51 8.971 -2.973 -9.954 424 2HZ LYS 51 2HZ LYS 51 8.444 -1.463 -10.260 425 H VAL 52 H VAL 52 3.696 -1.459 -3.464 426 HA VAL 52 HA VAL 52 1.234 -2.876 -4.221 427 HB VAL 52 HB VAL 52 2.217 -3.094 -1.833 428 1HG1 VAL 52 1HG1 VAL 52 0.967 -0.330 -1.672 429 2HG1 VAL 52 2HG1 VAL 52 1.470 -1.319 -0.280 430 3HG1 VAL 52 3HG1 VAL 52 2.685 -0.733 -1.442 431 1HG2 VAL 52 1HG2 VAL 52 0.047 -3.959 -2.392 432 2HG2 VAL 52 2HG2 VAL 52 -0.101 -3.054 -0.866 433 3HG2 VAL 52 3HG2 VAL 52 -0.665 -2.327 -2.390 434 H TYR 53 H TYR 53 -0.323 -1.659 -5.183 435 HA TYR 53 HA TYR 53 0.247 1.145 -5.568 436 1HB TYR 53 1HB TYR 53 -0.926 -1.001 -6.975 437 2HB TYR 53 2HB TYR 53 -2.337 -0.109 -6.443 438 HD1 TYR 53 HD1 TYR 53 -3.139 0.780 -8.478 439 HD2 TYR 53 HD2 TYR 53 0.971 1.318 -7.420 440 HE1 TYR 53 HE1 TYR 53 -2.842 2.394 -10.420 441 HE2 TYR 53 HE2 TYR 53 1.254 2.931 -9.363 442 HH TYR 53 HH TYR 53 0.043 4.287 -10.765 443 H VAL 54 H VAL 54 -1.061 2.890 -4.905 444 HA VAL 54 HA VAL 54 -3.392 2.292 -3.295 445 HB VAL 54 HB VAL 54 -2.168 4.105 -1.675 446 1HG1 VAL 54 1HG1 VAL 54 -1.746 1.156 -1.216 447 2HG1 VAL 54 2HG1 VAL 54 -2.193 2.428 -0.055 448 3HG1 VAL 54 3HG1 VAL 54 -3.385 1.848 -1.242 449 1HG2 VAL 54 1HG2 VAL 54 -0.026 3.987 -2.794 450 2HG2 VAL 54 2HG2 VAL 54 0.109 3.204 -1.201 451 3HG2 VAL 54 3HG2 VAL 54 -0.015 2.211 -2.674 452 H THR 55 H THR 55 -4.955 3.618 -4.046 453 HA THR 55 HA THR 55 -4.082 6.164 -5.237 454 HB THR 55 HB THR 55 -5.217 5.017 -6.939 455 HG1 THR 55 HG1 THR 55 -7.117 6.230 -6.993 456 1HG2 THR 55 1HG2 THR 55 -7.433 3.745 -6.335 457 2HG2 THR 55 2HG2 THR 55 -5.890 2.949 -5.938 458 3HG2 THR 55 3HG2 THR 55 -6.818 3.774 -4.664 459 H PHE 56 H PHE 56 -4.644 8.068 -4.361 460 HA PHE 56 HA PHE 56 -6.616 7.933 -2.188 461 1HB PHE 56 1HB PHE 56 -4.330 9.943 -2.560 462 2HB PHE 56 2HB PHE 56 -5.230 9.637 -1.087 463 HD1 PHE 56 HD1 PHE 56 -5.135 6.616 -1.136 464 HD2 PHE 56 HD2 PHE 56 -2.135 9.536 -1.828 465 HE1 PHE 56 HE1 PHE 56 -3.375 4.983 -0.401 466 HE2 PHE 56 HE2 PHE 56 -0.375 7.904 -1.093 467 HZ PHE 56 HZ PHE 56 -1.017 5.647 -0.389 468 H LEU 57 H LEU 57 -7.637 10.173 -1.736 469 HA LEU 57 HA LEU 57 -8.358 11.302 -4.333 470 1HB LEU 57 1HB LEU 57 -10.040 10.275 -2.687 471 2HB LEU 57 2HB LEU 57 -9.797 11.720 -1.725 472 HG LEU 57 HG LEU 57 -10.450 13.061 -3.796 473 1HD1 LEU 57 1HD1 LEU 57 -10.102 10.960 -5.281 474 2HD1 LEU 57 2HD1 LEU 57 -11.755 10.537 -4.778 475 3HD1 LEU 57 3HD1 LEU 57 -11.450 12.067 -5.635 476 1HD2 LEU 57 1HD2 LEU 57 -11.890 12.493 -1.755 477 2HD2 LEU 57 2HD2 LEU 57 -12.725 13.011 -3.238 478 3HD2 LEU 57 3HD2 LEU 57 -12.678 11.287 -2.800 479 H ASN 58 H ASN 58 -5.878 11.807 -2.494 480 HA ASN 58 HA ASN 58 -6.129 14.306 -1.388 481 1HB ASN 58 1HB ASN 58 -3.927 12.508 -2.250 482 2HB ASN 58 2HB ASN 58 -3.482 14.202 -2.317 483 1HD2 ASN 58 1HD2 ASN 58 -4.910 15.305 -0.284 484 2HD2 ASN 58 2HD2 ASN 58 -4.396 14.690 1.251 485 H ASP 59 H ASP 59 -5.554 13.174 -4.734 486 HA ASP 59 HA ASP 59 -4.439 15.165 -6.012 487 1HB ASP 59 1HB ASP 59 -5.237 13.421 -7.374 488 2HB ASP 59 2HB ASP 59 -6.842 13.467 -6.673 489 HD2 ASP 59 HD ASP 59 -8.268 14.297 -7.860 490 H LYS 60 H LYS 60 -7.859 15.082 -4.820 491 HA LYS 60 HA LYS 60 -8.965 17.251 -5.917 492 1HB LYS 60 1HB LYS 60 -9.191 15.899 -3.292 493 2HB LYS 60 2HB LYS 60 -9.831 17.529 -3.347 494 1HG LYS 60 1HG LYS 60 -11.314 16.985 -5.190 495 2HG LYS 60 2HG LYS 60 -10.520 15.448 -5.464 496 1HD LYS 60 1HD LYS 60 -12.495 14.875 -4.265 497 2HD LYS 60 2HD LYS 60 -11.228 14.810 -3.056 498 1HE LYS 60 1HE LYS 60 -12.256 16.415 -1.825 499 2HE LYS 60 2HE LYS 60 -12.226 17.527 -3.179 500 1HZ LYS 60 1HZ LYS 60 -14.287 16.550 -3.990 501 2HZ LYS 60 2HZ LYS 60 -14.298 15.430 -2.808 502 H ASP 61 H ASP 61 -6.486 17.234 -3.309 503 HA ASP 61 HA ASP 61 -6.216 20.091 -3.814 504 1HB ASP 61 1HB ASP 61 -5.388 18.952 -1.158 505 2HB ASP 61 2HB ASP 61 -5.985 20.555 -1.535 506 HD2 ASP 61 HD ASP 61 -6.846 18.682 0.492 507 H GLU 62 H GLU 62 -4.175 20.482 -4.687 508 HA GLU 62 HA GLU 62 -2.268 18.442 -4.786 509 1HB GLU 62 1HB GLU 62 -2.692 20.475 -6.387 510 2HB GLU 62 2HB GLU 62 -1.655 21.368 -5.293 511 1HG GLU 62 1HG GLU 62 -0.395 18.824 -5.863 512 2HG GLU 62 2HG GLU 62 -0.882 19.546 -7.383 513 HE2 GLU 62 HE GLU 62 1.271 21.160 -7.944 514 H ASP 63 H ASP 63 -3.052 20.851 -2.407 515 HA ASP 63 HA ASP 63 -0.460 21.151 -1.360 516 1HB ASP 63 1HB ASP 63 -3.035 22.259 -0.935 517 2HB ASP 63 2HB ASP 63 -2.628 21.497 0.590 518 HD2 ASP 63 HD ASP 63 -1.525 23.929 -1.639 519 H ALA 64 H ALA 64 -3.376 19.135 -0.622 520 HA ALA 64 HA ALA 64 -2.127 17.871 1.626 521 1HB ALA 64 1HB ALA 64 -4.566 18.285 1.485 522 2HB ALA 64 2HB ALA 64 -4.662 17.204 0.074 523 3HB ALA 64 3HB ALA 64 -4.205 16.552 1.666 524 H VAL 65 H VAL 65 -2.175 17.485 -1.848 525 HA VAL 65 HA VAL 65 -1.633 14.684 -1.837 526 HB VAL 65 HB VAL 65 -2.464 16.557 -3.668 527 1HG1 VAL 65 1HG1 VAL 65 0.311 15.665 -4.518 528 2HG1 VAL 65 2HG1 VAL 65 -0.833 16.658 -5.452 529 3HG1 VAL 65 3HG1 VAL 65 -0.104 17.304 -3.963 530 1HG2 VAL 65 1HG2 VAL 65 -3.231 14.574 -4.367 531 2HG2 VAL 65 2HG2 VAL 65 -1.676 14.366 -5.209 532 3HG2 VAL 65 3HG2 VAL 65 -1.900 13.699 -3.574 533 H LYS 66 H LYS 66 0.291 17.728 -2.015 534 HA LYS 66 HA LYS 66 2.748 16.347 -2.375 535 1HB LYS 66 1HB LYS 66 2.359 18.643 -3.175 536 2HB LYS 66 2HB LYS 66 2.173 19.202 -1.525 537 1HG LYS 66 1HG LYS 66 4.612 17.769 -1.505 538 2HG LYS 66 2HG LYS 66 4.632 18.635 -3.028 539 1HD LYS 66 1HD LYS 66 4.334 20.773 -1.932 540 2HD LYS 66 2HD LYS 66 3.919 20.016 -0.408 541 1HE LYS 66 1HE LYS 66 6.108 19.790 0.189 542 2HE LYS 66 2HE LYS 66 6.538 19.089 -1.357 543 1HZ LYS 66 1HZ LYS 66 6.594 21.902 -0.560 544 2HZ LYS 66 2HZ LYS 66 7.644 21.082 -1.496 545 H ALA 67 H ALA 67 1.299 18.152 0.430 546 HA ALA 67 HA ALA 67 3.267 17.365 2.243 547 1HB ALA 67 1HB ALA 67 2.071 18.690 3.633 548 2HB ALA 67 2HB ALA 67 1.065 19.045 2.209 549 3HB ALA 67 3HB ALA 67 0.570 17.775 3.353 550 H GLY 68 H GLY 68 -0.064 16.036 1.642 551 1HA GLY 68 1HA GLY 68 -0.081 13.992 3.455 552 2HA GLY 68 2HA GLY 68 -0.867 13.947 1.890 553 H ILE 69 H ILE 69 0.902 13.651 -0.037 554 HA ILE 69 HA ILE 69 1.864 11.064 0.251 555 HB ILE 69 HB ILE 69 1.284 12.506 -1.827 556 1HG1 ILE 69 1HG1 ILE 69 3.531 10.473 -1.768 557 2HG1 ILE 69 2HG1 ILE 69 1.816 10.145 -1.929 558 1HG2 ILE 69 1HG2 ILE 69 3.496 13.927 -1.056 559 2HG2 ILE 69 2HG2 ILE 69 4.159 12.858 -2.314 560 3HG2 ILE 69 3HG2 ILE 69 2.784 13.926 -2.688 561 1HD1 ILE 69 1HD1 ILE 69 2.485 12.064 -3.955 562 2HD1 ILE 69 2HD1 ILE 69 3.717 10.780 -4.002 563 3HD1 ILE 69 3HD1 ILE 69 1.996 10.367 -4.171 564 H LYS 70 H LYS 70 3.265 14.202 1.076 565 HA LYS 70 HA LYS 70 5.949 13.318 1.159 566 1HB LYS 70 1HB LYS 70 4.411 15.733 1.907 567 2HB LYS 70 2HB LYS 70 5.861 15.459 2.850 568 1HG LYS 70 1HG LYS 70 6.997 15.009 0.500 569 2HG LYS 70 2HG LYS 70 5.605 15.853 -0.147 570 1HD LYS 70 1HD LYS 70 7.036 17.659 0.183 571 2HD LYS 70 2HD LYS 70 6.204 17.660 1.725 572 1HE LYS 70 1HE LYS 70 8.073 17.001 2.885 573 2HE LYS 70 2HE LYS 70 8.558 15.850 1.655 574 1HZ LYS 70 1HZ LYS 70 8.986 18.786 1.548 575 2HZ LYS 70 2HZ LYS 70 10.140 17.648 1.706 576 H ALA 71 H ALA 71 3.166 13.108 3.341 577 HA ALA 71 HA ALA 71 4.763 12.476 5.634 578 1HB ALA 71 1HB ALA 71 1.785 12.209 5.048 579 2HB ALA 71 2HB ALA 71 2.541 11.997 6.645 580 3HB ALA 71 3HB ALA 71 2.586 13.586 5.843 581 H LEU 72 H LEU 72 2.883 10.702 3.121 582 HA LEU 72 HA LEU 72 3.185 8.177 4.324 583 1HB LEU 72 1HB LEU 72 2.624 9.017 1.479 584 2HB LEU 72 2HB LEU 72 2.579 7.358 2.037 585 HG LEU 72 HG LEU 72 0.783 9.626 2.927 586 1HD1 LEU 72 1HD1 LEU 72 -0.925 8.646 1.720 587 2HD1 LEU 72 2HD1 LEU 72 0.480 8.375 0.661 588 3HD1 LEU 72 3HD1 LEU 72 -0.134 7.053 1.682 589 1HD2 LEU 72 1HD2 LEU 72 1.125 8.369 4.891 590 2HD2 LEU 72 2HD2 LEU 72 -0.413 7.786 4.212 591 3HD2 LEU 72 3HD2 LEU 72 1.069 6.822 4.012 592 H GLN 73 H GLN 73 5.268 10.223 2.317 593 HA GLN 73 HA GLN 73 6.997 8.064 1.650 594 1HB GLN 73 1HB GLN 73 7.909 9.548 0.186 595 2HB GLN 73 2HB GLN 73 6.530 10.555 0.581 596 1HG GLN 73 1HG GLN 73 7.829 11.710 2.343 597 2HG GLN 73 2HG GLN 73 9.193 10.644 2.077 598 1HE2 GLN 73 1HE2 GLN 73 10.511 12.409 1.620 599 2HE2 GLN 73 2HE2 GLN 73 10.469 13.247 0.106 600 H GLU 74 H GLU 74 7.054 10.887 3.921 601 HA GLU 74 HA GLU 74 9.588 10.339 4.915 602 1HB GLU 74 1HB GLU 74 9.166 12.060 6.452 603 2HB GLU 74 2HB GLU 74 8.079 12.463 5.138 604 1HG GLU 74 1HG GLU 74 6.469 12.530 6.759 605 2HG GLU 74 2HG GLU 74 6.471 10.783 6.616 606 HE2 GLU 74 HE GLU 74 7.336 12.385 9.981 607 H ALA 75 H ALA 75 6.513 8.776 5.378 608 HA ALA 75 HA ALA 75 7.557 7.421 7.769 609 1HB ALA 75 1HB ALA 75 5.084 6.804 8.053 610 2HB ALA 75 2HB ALA 75 5.506 8.515 8.303 611 3HB ALA 75 3HB ALA 75 4.746 7.999 6.779 612 H SER 76 H SER 76 8.095 7.017 4.749 613 HA SER 76 HA SER 76 6.757 4.826 3.832 614 1HB SER 76 1HB SER 76 9.655 5.678 3.429 615 2HB SER 76 2HB SER 76 8.904 4.390 2.509 616 HG SER 76 HG SER 76 8.877 6.624 1.540 617 H GLY 77 H GLY 77 10.166 4.647 5.089 618 1HA GLY 77 1HA GLY 77 10.337 1.968 5.501 619 2HA GLY 77 2HA GLY 77 11.161 3.171 6.475 620 H PHE 78 H PHE 78 8.385 4.301 7.305 621 HA PHE 78 HA PHE 78 8.186 2.750 9.666 622 1HB PHE 78 1HB PHE 78 7.295 5.275 8.498 623 2HB PHE 78 2HB PHE 78 5.887 4.462 9.153 624 HD1 PHE 78 HD1 PHE 78 8.461 6.678 9.902 625 HD2 PHE 78 HD2 PHE 78 6.283 3.459 11.606 626 HE1 PHE 78 HE1 PHE 78 9.063 7.486 12.201 627 HE2 PHE 78 HE2 PHE 78 6.887 4.267 13.904 628 HZ PHE 78 HZ PHE 78 8.269 6.272 14.174 629 H ILE 79 H ILE 79 6.142 3.179 6.713 630 HA ILE 79 HA ILE 79 4.108 1.446 7.680 631 HB ILE 79 HB ILE 79 3.351 1.570 5.279 632 1HG1 ILE 79 1HG1 ILE 79 5.492 3.679 4.966 633 2HG1 ILE 79 2HG1 ILE 79 5.734 2.024 4.443 634 1HG2 ILE 79 1HG2 ILE 79 3.646 3.848 7.175 635 2HG2 ILE 79 2HG2 ILE 79 3.053 4.205 5.535 636 3HG2 ILE 79 3HG2 ILE 79 2.185 3.039 6.562 637 1HD1 ILE 79 1HD1 ILE 79 4.818 3.703 2.693 638 2HD1 ILE 79 2HD1 ILE 79 3.978 2.140 2.833 639 3HD1 ILE 79 3HD1 ILE 79 3.278 3.597 3.581 640 H ARG 80 H ARG 80 7.008 1.114 5.579 641 HA ARG 80 HA ARG 80 6.410 -1.481 4.782 642 1HB ARG 80 1HB ARG 80 8.047 -0.144 3.556 643 2HB ARG 80 2HB ARG 80 9.043 0.058 4.984 644 1HG ARG 80 1HG ARG 80 9.508 -2.390 5.025 645 2HG ARG 80 2HG ARG 80 8.473 -2.623 3.631 646 1HD ARG 80 1HD ARG 80 10.214 -2.159 2.252 647 2HD ARG 80 2HD ARG 80 10.330 -0.548 2.933 648 HE ARG 80 HE ARG 80 12.063 -1.279 4.388 649 1HH1 ARG 80 2HH2 ARG 80 10.715 -4.005 2.570 650 2HH1 ARG 80 1HH2 ARG 80 12.006 -5.082 2.987 651 1HH2 ARG 80 1HH ARG 80 13.789 -4.293 4.380 652 H SER 81 H SER 81 8.497 -0.122 7.421 653 HA SER 81 HA SER 81 9.323 -2.639 8.324 654 1HB SER 81 1HB SER 81 10.579 -0.558 8.781 655 2HB SER 81 2HB SER 81 9.248 0.063 9.736 656 HG SER 81 HG SER 81 9.733 -2.286 10.837 657 H LEU 82 H LEU 82 6.557 -0.490 9.012 658 HA LEU 82 HA LEU 82 5.743 -1.743 11.393 659 1HB LEU 82 1HB LEU 82 5.024 0.465 10.866 660 2HB LEU 82 2HB LEU 82 4.314 -0.051 9.349 661 HG LEU 82 HG LEU 82 3.250 -1.301 11.838 662 1HD1 LEU 82 1HD1 LEU 82 3.107 0.758 12.795 663 2HD1 LEU 82 2HD1 LEU 82 3.101 1.614 11.234 664 3HD1 LEU 82 3HD1 LEU 82 1.624 0.803 11.810 665 1HD2 LEU 82 1HD2 LEU 82 1.134 -0.531 10.292 666 2HD2 LEU 82 2HD2 LEU 82 2.398 -0.800 9.068 667 3HD2 LEU 82 3HD2 LEU 82 1.959 -2.105 10.194 668 H LEU 83 H LEU 83 5.251 -2.435 7.927 669 HA LEU 83 HA LEU 83 3.172 -4.310 8.344 670 1HB LEU 83 1HB LEU 83 5.067 -3.830 6.043 671 2HB LEU 83 2HB LEU 83 3.750 -4.985 6.001 672 HG LEU 83 HG LEU 83 3.048 -2.190 6.755 673 1HD1 LEU 83 1HD1 LEU 83 3.632 -1.156 4.871 674 2HD1 LEU 83 2HD1 LEU 83 4.705 -2.543 4.560 675 3HD1 LEU 83 3HD1 LEU 83 3.070 -2.507 3.857 676 1HD2 LEU 83 1HD2 LEU 83 1.074 -2.703 5.342 677 2HD2 LEU 83 2HD2 LEU 83 1.758 -4.314 5.021 678 3HD2 LEU 83 3HD2 LEU 83 1.307 -3.854 6.680 679 H GLY 84 H GLY 84 6.703 -4.701 7.566 680 1HA GLY 84 1HA GLY 84 6.926 -7.406 7.688 681 2HA GLY 84 2HA GLY 84 8.163 -6.289 8.230 682 H LYS 85 H LYS 85 7.128 -5.111 10.506 683 HA LYS 85 HA LYS 85 7.403 -7.214 12.380 684 1HB LYS 85 1HB LYS 85 7.228 -4.271 12.394 685 2HB LYS 85 2HB LYS 85 6.543 -5.033 13.816 686 1HG LYS 85 1HG LYS 85 8.736 -6.469 13.858 687 2HG LYS 85 2HG LYS 85 9.378 -5.278 12.745 688 1HD LYS 85 1HD LYS 85 8.082 -4.443 15.368 689 2HD LYS 85 2HD LYS 85 9.772 -4.901 15.297 690 1HE LYS 85 1HE LYS 85 10.354 -3.067 13.911 691 2HE LYS 85 2HE LYS 85 8.712 -2.850 13.334 692 1HZ LYS 85 1HZ LYS 85 8.098 -2.084 15.579 693 2HZ LYS 85 2HZ LYS 85 9.630 -2.271 16.101 694 H ALA 86 H ALA 86 4.650 -5.283 11.101 695 HA ALA 86 HA ALA 86 2.738 -6.209 12.907 696 1HB ALA 86 1HB ALA 86 2.242 -4.298 11.584 697 2HB ALA 86 2HB ALA 86 2.638 -5.144 10.069 698 3HB ALA 86 3HB ALA 86 1.166 -5.576 10.971 699 H MET 87 H MET 87 4.238 -7.651 10.026 700 HA MET 87 HA MET 87 2.402 -9.898 10.327 701 1HB MET 87 1HB MET 87 3.130 -8.415 8.053 702 2HB MET 87 2HB MET 87 4.170 -9.818 7.932 703 1HG MET 87 1HG MET 87 1.962 -11.191 8.436 704 2HG MET 87 2HG MET 87 1.137 -9.719 7.963 705 1HE MET 87 1HE MET 87 0.904 -8.884 5.492 706 2HE MET 87 2HE MET 87 2.557 -8.336 5.864 707 3HE MET 87 3HE MET 87 2.215 -9.148 4.318 708 H ARG 88 H ARG 88 5.167 -9.021 11.650 709 HA ARG 88 HA ARG 88 7.216 -9.912 11.879 710 1HB ARG 88 1HB ARG 88 5.083 -11.721 13.007 711 2HB ARG 88 2HB ARG 88 6.738 -12.287 13.102 712 1HG ARG 88 1HG ARG 88 7.298 -9.938 14.094 713 2HG ARG 88 2HG ARG 88 5.568 -9.741 14.291 714 1HD ARG 88 1HD ARG 88 5.609 -12.027 15.535 715 2HD ARG 88 2HD ARG 88 7.353 -11.855 15.569 716 HE ARG 88 HE ARG 88 7.139 -10.189 17.203 717 1HH1 ARG 88 2HH2 ARG 88 3.993 -10.676 15.647 718 2HH1 ARG 88 1HH2 ARG 88 3.146 -9.656 16.762 719 1HH2 ARG 88 1HH ARG 88 4.358 -8.588 18.531 720 H LEU 89 H LEU 89 7.777 -10.209 9.535 721 HA LEU 89 HA LEU 89 7.736 -13.053 8.796 722 1HB LEU 89 1HB LEU 89 6.542 -11.012 7.447 723 2HB LEU 89 2HB LEU 89 8.116 -11.042 6.674 724 HG LEU 89 HG LEU 89 7.792 -13.477 6.203 725 1HD1 LEU 89 1HD1 LEU 89 5.097 -13.909 6.295 726 2HD1 LEU 89 2HD1 LEU 89 6.273 -14.508 7.488 727 3HD1 LEU 89 3HD1 LEU 89 5.370 -13.008 7.807 728 1HD2 LEU 89 1HD2 LEU 89 6.699 -13.084 4.229 729 2HD2 LEU 89 2HD2 LEU 89 5.458 -12.056 4.986 730 3HD2 LEU 89 3HD2 LEU 89 7.096 -11.417 4.712 731 H ARG 90 H ARG 90 9.605 -12.430 6.534 732 HA ARG 90 HA ARG 90 11.942 -11.571 7.978 733 1HB ARG 90 1HB ARG 90 12.074 -13.943 8.399 734 2HB ARG 90 2HB ARG 90 11.568 -14.343 6.770 735 1HG ARG 90 1HG ARG 90 13.693 -14.189 5.954 736 2HG ARG 90 2HG ARG 90 13.985 -12.664 6.766 737 1HD ARG 90 1HD ARG 90 14.799 -13.693 8.721 738 2HD ARG 90 2HD ARG 90 13.899 -15.171 8.449 739 HE ARG 90 HE ARG 90 15.920 -14.657 6.391 740 1HH1 ARG 90 2HH2 ARG 90 15.334 -16.111 9.568 741 2HH1 ARG 90 1HH2 ARG 90 16.685 -17.190 9.462 742 1HH2 ARG 90 1HH ARG 90 18.065 -17.154 7.501 743 H ILE 91 H ILE 91 10.487 -12.850 4.922 744 HA ILE 91 HA ILE 91 12.372 -12.250 3.100 745 HB ILE 91 HB ILE 91 10.353 -11.642 1.611 746 1HG1 ILE 91 1HG1 ILE 91 8.592 -12.930 3.605 747 2HG1 ILE 91 2HG1 ILE 91 9.065 -11.290 3.999 748 1HG2 ILE 91 1HG2 ILE 91 9.565 -14.217 2.159 749 2HG2 ILE 91 2HG2 ILE 91 10.925 -13.744 1.110 750 3HG2 ILE 91 3HG2 ILE 91 11.221 -14.173 2.812 751 1HD1 ILE 91 1HD1 ILE 91 7.789 -10.399 2.335 752 2HD1 ILE 91 2HD1 ILE 91 8.342 -11.609 1.151 753 3HD1 ILE 91 3HD1 ILE 91 7.010 -11.999 2.266 754 H VAL 92 H VAL 92 10.409 -9.979 5.001 755 HA VAL 92 HA VAL 92 10.150 -7.722 4.670 756 HB VAL 92 HB VAL 92 13.106 -8.038 5.221 757 1HG1 VAL 92 1HG1 VAL 92 11.587 -5.730 4.937 758 2HG1 VAL 92 2HG1 VAL 92 11.635 -5.988 6.697 759 3HG1 VAL 92 3HG1 VAL 92 13.152 -5.869 5.775 760 1HG2 VAL 92 1HG2 VAL 92 11.619 -7.753 7.629 761 2HG2 VAL 92 2HG2 VAL 92 10.855 -9.054 6.686 762 3HG2 VAL 92 3HG2 VAL 92 12.588 -9.145 7.085 763 HA PRO 93 HA PRO 93 11.896 -7.482 0.452 764 1HB PRO 93 1HB PRO 93 9.574 -7.567 -0.987 765 2HB PRO 93 2HB PRO 93 10.576 -8.977 -0.699 766 1HG PRO 93 1HG PRO 93 8.000 -8.246 0.555 767 2HG PRO 93 2HG PRO 93 8.792 -9.809 0.502 768 1HD PRO 93 1HD PRO 93 8.685 -8.013 2.736 769 2HD PRO 93 2HD PRO 93 9.573 -9.520 2.645 770 H GLU 94 H GLU 94 11.807 -5.742 -1.151 771 HA GLU 94 HA GLU 94 11.365 -3.354 0.222 772 1HB GLU 94 1HB GLU 94 12.690 -4.170 -2.119 773 2HB GLU 94 2HB GLU 94 11.446 -3.083 -2.703 774 1HG GLU 94 1HG GLU 94 12.225 -1.272 -1.309 775 2HG GLU 94 2HG GLU 94 13.230 -2.340 -0.351 776 HE2 GLU 94 HE GLU 94 13.262 -0.252 -2.776 777 H LEU 95 H LEU 95 8.996 -4.262 0.756 778 HA LEU 95 HA LEU 95 7.058 -3.983 -1.281 779 1HB LEU 95 1HB LEU 95 7.163 -5.095 1.210 780 2HB LEU 95 2HB LEU 95 6.207 -3.657 1.517 781 HG LEU 95 HG LEU 95 5.579 -6.010 -0.245 782 1HD1 LEU 95 1HD1 LEU 95 4.789 -6.167 2.008 783 2HD1 LEU 95 2HD1 LEU 95 4.093 -4.529 1.940 784 3HD1 LEU 95 3HD1 LEU 95 3.393 -5.836 0.955 785 1HD2 LEU 95 1HD2 LEU 95 3.585 -4.661 -1.065 786 2HD2 LEU 95 2HD2 LEU 95 4.472 -3.213 -0.528 787 3HD2 LEU 95 3HD2 LEU 95 5.167 -4.272 -1.782 788 H THR 96 H THR 96 7.346 -1.981 -2.334 789 HA THR 96 HA THR 96 7.186 0.416 -0.687 790 HB THR 96 HB THR 96 8.761 -0.151 -2.788 791 HG1 THR 96 HG1 THR 96 8.979 2.092 -2.693 792 1HG2 THR 96 1HG2 THR 96 6.719 1.483 -4.250 793 2HG2 THR 96 2HG2 THR 96 7.877 0.289 -4.886 794 3HG2 THR 96 3HG2 THR 96 6.361 -0.256 -4.131 795 H PHE 97 H PHE 97 5.698 2.201 -1.389 796 HA PHE 97 HA PHE 97 3.152 1.029 -2.262 797 1HB PHE 97 1HB PHE 97 2.102 2.536 -0.612 798 2HB PHE 97 2HB PHE 97 3.369 1.653 0.215 799 HD1 PHE 97 HD1 PHE 97 2.079 4.870 -0.568 800 HD2 PHE 97 HD2 PHE 97 5.657 2.822 0.444 801 HE1 PHE 97 HE1 PHE 97 3.114 7.036 0.164 802 HE2 PHE 97 HE2 PHE 97 6.690 4.988 1.176 803 HZ PHE 97 HZ PHE 97 5.407 7.070 1.027 804 H PHE 98 H PHE 98 2.656 1.793 -4.261 805 HA PHE 98 HA PHE 98 3.717 4.367 -5.055 806 1HB PHE 98 1HB PHE 98 2.848 1.825 -6.226 807 2HB PHE 98 2HB PHE 98 1.944 3.121 -6.983 808 HD1 PHE 98 HD1 PHE 98 3.594 5.258 -7.519 809 HD2 PHE 98 HD2 PHE 98 4.730 1.171 -7.364 810 HE1 PHE 98 HE1 PHE 98 5.549 5.744 -9.017 811 HE2 PHE 98 HE2 PHE 98 6.685 1.658 -8.861 812 HZ PHE 98 HZ PHE 98 7.071 3.937 -9.670 813 H TYR 99 H TYR 99 2.580 6.203 -4.666 814 HA TYR 99 HA TYR 99 -0.240 6.020 -4.095 815 1HB TYR 99 1HB TYR 99 0.679 8.720 -4.324 816 2HB TYR 99 2HB TYR 99 0.534 7.812 -2.831 817 HD1 TYR 99 HD1 TYR 99 2.484 6.887 -1.726 818 HD2 TYR 99 HD2 TYR 99 2.860 8.893 -5.486 819 HE1 TYR 99 HE1 TYR 99 5.005 7.001 -1.421 820 HE2 TYR 99 HE2 TYR 99 5.380 9.001 -5.168 821 HH TYR 99 HH TYR 99 6.870 7.836 -2.173 822 H ASP 100 H ASP 100 -1.573 5.743 -5.845 823 HA ASP 100 HA ASP 100 -0.966 7.385 -8.169 824 1HB ASP 100 1HB ASP 100 -1.450 4.701 -8.062 825 2HB ASP 100 2HB ASP 100 -3.096 5.270 -8.252 826 HD2 ASP 100 HD ASP 100 -1.235 7.299 -10.599 827 H ASN 101 H ASN 101 -1.989 9.344 -7.328 828 HA ASN 101 HA ASN 101 -4.746 9.089 -6.526 829 1HB ASN 101 1HB ASN 101 -3.201 11.703 -6.755 830 2HB ASN 101 2HB ASN 101 -4.536 11.330 -5.683 831 1HD2 ASN 101 1HD2 ASN 101 -1.605 12.196 -5.420 832 2HD2 ASN 101 2HD2 ASN 101 -0.952 11.180 -4.180 833 H SER 102 H SER 102 -5.911 11.451 -7.397 834 HA SER 102 HA SER 102 -6.097 10.962 -10.203 835 1HB SER 102 1HB SER 102 -7.656 13.239 -9.480 836 2HB SER 102 2HB SER 102 -8.220 11.612 -9.810 837 HG SER 102 HG SER 102 -8.888 12.191 -7.707 838 H LEU 103 H LEU 103 -3.744 12.421 -8.605 839 HA LEU 103 HA LEU 103 -3.764 14.947 -10.050 840 1HB LEU 103 1HB LEU 103 -3.237 14.881 -7.642 841 2HB LEU 103 2HB LEU 103 -1.850 13.863 -7.979 842 HG LEU 103 HG LEU 103 -1.430 16.044 -9.639 843 1HD1 LEU 103 1HD1 LEU 103 -1.734 17.615 -7.271 844 2HD1 LEU 103 2HD1 LEU 103 -2.442 17.863 -8.885 845 3HD1 LEU 103 3HD1 LEU 103 -3.303 16.879 -7.677 846 1HD2 LEU 103 1HD2 LEU 103 -0.264 14.854 -7.251 847 2HD2 LEU 103 2HD2 LEU 103 0.522 15.568 -8.681 848 3HD2 LEU 103 3HD2 LEU 103 0.009 16.611 -7.332 849 H VAL 104 H VAL 104 -3.137 11.829 -10.834 850 HA VAL 104 HA VAL 104 -1.070 12.661 -12.720 851 HB VAL 104 HB VAL 104 -0.856 10.623 -10.594 852 1HG1 VAL 104 1HG1 VAL 104 0.626 9.170 -11.963 853 2HG1 VAL 104 2HG1 VAL 104 -1.075 9.123 -12.487 854 3HG1 VAL 104 3HG1 VAL 104 0.118 10.064 -13.415 855 1HG2 VAL 104 1HG2 VAL 104 0.660 12.797 -11.671 856 2HG2 VAL 104 2HG2 VAL 104 0.990 11.814 -10.224 857 3HG2 VAL 104 3HG2 VAL 104 1.633 11.313 -11.807 858 H GLU 105 H GLU 105 -4.149 11.830 -12.342 859 HA GLU 105 HA GLU 105 -4.219 10.575 -14.902 860 1HB GLU 105 1HB GLU 105 -4.672 9.034 -12.414 861 2HB GLU 105 2HB GLU 105 -5.983 8.891 -13.569 862 1HG GLU 105 1HG GLU 105 -4.073 8.482 -15.339 863 2HG GLU 105 2HG GLU 105 -3.060 8.166 -13.943 864 HE2 GLU 105 HE GLU 105 -4.228 6.331 -15.996 865 H GLY 106 H GLY 106 -5.859 11.826 -11.972 866 1HA GLY 106 1HA GLY 106 -7.479 13.477 -11.999 867 2HA GLY 106 2HA GLY 106 -7.817 13.150 -13.687 868 H MET 107 H MET 107 -8.017 10.207 -13.399 869 HA MET 107 HA MET 107 -10.695 10.196 -12.339 870 1HB MET 107 1HB MET 107 -10.936 8.139 -13.605 871 2HB MET 107 2HB MET 107 -9.974 9.200 -14.614 872 1HG MET 107 1HG MET 107 -7.993 7.958 -13.140 873 2HG MET 107 2HG MET 107 -9.186 6.677 -13.228 874 1HE MET 107 1HE MET 107 -7.190 8.904 -16.658 875 2HE MET 107 2HE MET 107 -7.367 9.381 -14.952 876 3HE MET 107 3HE MET 107 -6.159 8.156 -15.414 877 H ARG 108 H ARG 108 -7.893 10.060 -10.805 878 HA ARG 108 HA ARG 108 -8.637 7.719 -9.243 879 1HB ARG 108 1HB ARG 108 -5.944 9.015 -9.813 880 2HB ARG 108 2HB ARG 108 -6.148 7.999 -8.401 881 1HG ARG 108 1HG ARG 108 -6.344 7.233 -11.326 882 2HG ARG 108 2HG ARG 108 -5.391 6.484 -10.060 883 1HD ARG 108 1HD ARG 108 -7.747 5.936 -8.968 884 2HD ARG 108 2HD ARG 108 -8.371 6.235 -10.577 885 HE ARG 108 HE ARG 108 -6.090 4.459 -10.699 886 1HH1 ARG 108 2HH2 ARG 108 -9.536 4.517 -9.873 887 2HH1 ARG 108 1HH2 ARG 108 -9.772 2.835 -10.212 888 1HH2 ARG 108 1HH ARG 108 -7.916 1.515 -10.959
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