NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3921 | 1ef4 | 4571 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -7.276 5.319 -0.009 2 HA MET 1 HA MET 1 -5.839 3.459 1.577 3 1HB MET 1 1HB MET 1 -4.185 5.276 1.834 4 2HB MET 1 2HB MET 1 -4.664 5.042 0.159 5 1HG MET 1 1HG MET 1 -4.696 7.320 0.317 6 2HG MET 1 2HG MET 1 -6.377 6.935 0.679 7 1HE MET 1 1HE MET 1 -2.980 7.073 2.099 8 2HE MET 1 2HE MET 1 -3.393 6.727 3.779 9 3HE MET 1 3HE MET 1 -3.036 8.380 3.280 10 H ILE 2 H ILE 2 -5.439 3.386 3.737 11 HA ILE 2 HA ILE 2 -7.411 4.295 5.516 12 HB ILE 2 HB ILE 2 -4.645 3.184 5.953 13 1HG1 ILE 2 1HG1 ILE 2 -5.940 1.239 6.813 14 2HG1 ILE 2 2HG1 ILE 2 -7.428 2.082 6.397 15 1HG2 ILE 2 1HG2 ILE 2 -5.206 4.701 7.837 16 2HG2 ILE 2 2HG2 ILE 2 -5.050 3.011 8.314 17 3HG2 ILE 2 3HG2 ILE 2 -6.649 3.732 8.137 18 1HD1 ILE 2 1HD1 ILE 2 -6.642 0.339 4.768 19 2HD1 ILE 2 2HD1 ILE 2 -5.315 1.431 4.371 20 3HD1 ILE 2 3HD1 ILE 2 -6.982 1.932 4.090 21 HA PRO 3 HA PRO 3 -5.952 8.460 6.208 22 1HB PRO 3 1HB PRO 3 -7.577 9.162 8.185 23 2HB PRO 3 2HB PRO 3 -8.251 8.786 6.591 24 1HG PRO 3 1HG PRO 3 -8.017 7.006 9.010 25 2HG PRO 3 2HG PRO 3 -9.455 7.328 8.012 26 1HD PRO 3 1HD PRO 3 -7.887 5.139 7.649 27 2HD PRO 3 2HD PRO 3 -8.732 5.937 6.306 28 H VAL 4 H VAL 4 -5.298 9.801 8.240 29 HA VAL 4 HA VAL 4 -3.968 10.057 10.071 30 HB VAL 4 HB VAL 4 -5.472 7.552 10.621 31 1HG1 VAL 4 1HG1 VAL 4 -3.550 6.673 11.576 32 2HG1 VAL 4 2HG1 VAL 4 -4.301 7.509 12.938 33 3HG1 VAL 4 3HG1 VAL 4 -2.953 8.257 12.081 34 1HG2 VAL 4 1HG2 VAL 4 -5.901 10.155 11.126 35 2HG2 VAL 4 2HG2 VAL 4 -5.148 9.664 12.643 36 3HG2 VAL 4 3HG2 VAL 4 -6.601 8.842 12.072 37 H ARG 5 H ARG 5 -3.572 6.570 9.639 38 HA ARG 5 HA ARG 5 -0.850 6.470 10.045 39 1HB ARG 5 1HB ARG 5 -2.865 4.675 9.498 40 2HB ARG 5 2HB ARG 5 -1.801 4.502 8.103 41 1HG ARG 5 1HG ARG 5 -1.172 2.907 9.778 42 2HG ARG 5 2HG ARG 5 0.091 4.134 9.664 43 1HD ARG 5 1HD ARG 5 -0.108 4.105 11.918 44 2HD ARG 5 2HD ARG 5 -1.410 5.243 11.575 45 HE ARG 5 HE ARG 5 -2.291 2.520 11.594 46 1HH1 ARG 5 1HH1 ARG 5 -1.568 5.280 13.589 47 2HH1 ARG 5 2HH1 ARG 5 -2.615 4.787 14.877 48 1HH2 ARG 5 1HH2 ARG 5 -3.675 1.860 13.284 49 2HH2 ARG 5 2HH2 ARG 5 -3.815 2.842 14.703 50 H CYS 6 H CYS 6 0.590 5.383 8.191 51 HA CYS 6 HA CYS 6 0.703 7.394 6.058 52 1HB CYS 6 1HB CYS 6 2.659 6.405 7.805 53 2HB CYS 6 2HB CYS 6 3.040 5.698 6.238 54 H LEU 7 H LEU 7 -0.478 6.653 4.407 55 HA LEU 7 HA LEU 7 0.409 4.162 3.157 56 1HB LEU 7 1HB LEU 7 -2.450 5.065 3.440 57 2HB LEU 7 2HB LEU 7 -1.931 3.710 2.467 58 HG LEU 7 HG LEU 7 -2.706 2.621 4.324 59 1HD1 LEU 7 1HD1 LEU 7 -0.936 1.525 5.111 60 2HD1 LEU 7 2HD1 LEU 7 -0.217 2.981 5.792 61 3HD1 LEU 7 3HD1 LEU 7 0.017 2.593 4.091 62 1HD2 LEU 7 1HD2 LEU 7 -2.606 3.459 6.596 63 2HD2 LEU 7 2HD2 LEU 7 -3.314 4.661 5.518 64 3HD2 LEU 7 3HD2 LEU 7 -1.647 4.840 6.062 65 H SER 8 H SER 8 1.381 6.601 2.543 66 HA SER 8 HA SER 8 0.939 6.853 -0.199 67 1HB SER 8 1HB SER 8 -0.825 8.491 1.516 68 2HB SER 8 2HB SER 8 -0.015 9.368 0.217 69 HG SER 8 HG SER 8 -1.929 8.561 -0.584 70 H CYS 9 H CYS 9 1.545 8.997 2.585 71 HA CYS 9 HA CYS 9 3.331 10.277 3.158 72 1HB CYS 9 1HB CYS 9 4.424 7.962 1.990 73 2HB CYS 9 2HB CYS 9 5.316 9.313 1.298 74 H GLY 10 H GLY 10 1.656 10.739 0.565 75 1HA GLY 10 1HA GLY 10 2.024 13.213 -0.114 76 2HA GLY 10 2HA GLY 10 3.516 12.571 -0.787 77 H LYS 11 H LYS 11 2.287 10.054 -1.602 78 HA LYS 11 HA LYS 11 0.678 11.054 -3.854 79 1HB LYS 11 1HB LYS 11 3.057 9.351 -3.756 80 2HB LYS 11 2HB LYS 11 1.761 8.690 -4.746 81 1HG LYS 11 1HG LYS 11 3.295 10.016 -6.081 82 2HG LYS 11 2HG LYS 11 1.696 10.768 -6.036 83 1HD LYS 11 1HD LYS 11 3.092 11.801 -3.844 84 2HD LYS 11 2HD LYS 11 4.234 11.824 -5.187 85 1HE LYS 11 1HE LYS 11 2.048 12.774 -6.427 86 2HE LYS 11 2HE LYS 11 1.733 13.345 -4.790 87 1HZ LYS 11 1HZ LYS 11 3.204 14.681 -6.550 88 2HZ LYS 11 2HZ LYS 11 4.423 13.788 -5.790 89 3HZ LYS 11 3HZ LYS 11 3.424 14.804 -4.878 90 HA PRO 12 HA PRO 12 -2.601 8.442 -2.409 91 1HB PRO 12 1HB PRO 12 -3.257 8.148 -5.290 92 2HB PRO 12 2HB PRO 12 -4.273 8.702 -3.955 93 1HG PRO 12 1HG PRO 12 -3.305 10.424 -5.747 94 2HG PRO 12 2HG PRO 12 -3.422 10.857 -4.031 95 1HD PRO 12 1HD PRO 12 -1.024 10.060 -5.628 96 2HD PRO 12 2HD PRO 12 -1.172 11.278 -4.345 97 H VAL 13 H VAL 13 -2.785 6.310 -2.010 98 HA VAL 13 HA VAL 13 -1.237 4.469 -3.708 99 HB VAL 13 HB VAL 13 -0.916 3.032 -1.836 100 1HG1 VAL 13 1HG1 VAL 13 -0.441 5.930 -1.200 101 2HG1 VAL 13 2HG1 VAL 13 0.697 4.747 -1.847 102 3HG1 VAL 13 3HG1 VAL 13 0.155 4.628 -0.170 103 1HG2 VAL 13 1HG2 VAL 13 -2.713 4.865 -0.250 104 2HG2 VAL 13 2HG2 VAL 13 -1.846 3.464 0.378 105 3HG2 VAL 13 3HG2 VAL 13 -3.132 3.248 -0.812 106 H SER 14 H SER 14 -4.391 5.303 -2.712 107 HA SER 14 HA SER 14 -5.700 2.834 -2.749 108 1HB SER 14 1HB SER 14 -7.077 5.237 -3.877 109 2HB SER 14 2HB SER 14 -7.668 4.040 -2.719 110 HG SER 14 HG SER 14 -5.880 5.075 -1.348 111 H ALA 15 H ALA 15 -5.389 5.208 -5.399 112 HA ALA 15 HA ALA 15 -6.608 3.700 -7.387 113 1HB ALA 15 1HB ALA 15 -5.718 5.204 -8.933 114 2HB ALA 15 2HB ALA 15 -4.273 5.492 -7.963 115 3HB ALA 15 3HB ALA 15 -5.829 6.141 -7.443 116 H TYR 16 H TYR 16 -3.372 3.515 -6.079 117 HA TYR 16 HA TYR 16 -2.464 1.711 -8.151 118 1HB TYR 16 1HB TYR 16 -1.243 3.130 -5.844 119 2HB TYR 16 2HB TYR 16 -0.476 1.636 -6.361 120 HD1 TYR 16 HD1 TYR 16 0.127 1.441 -8.871 121 HD2 TYR 16 HD2 TYR 16 -0.766 5.129 -6.944 122 HE1 TYR 16 HE1 TYR 16 1.276 2.656 -10.674 123 HE2 TYR 16 HE2 TYR 16 0.380 6.354 -8.742 124 HH TYR 16 HH TYR 16 0.907 5.500 -11.506 125 H PHE 17 H PHE 17 -3.766 1.536 -4.930 126 HA PHE 17 HA PHE 17 -2.883 -0.888 -3.995 127 1HB PHE 17 1HB PHE 17 -5.438 0.610 -3.711 128 2HB PHE 17 2HB PHE 17 -5.431 -1.069 -3.194 129 HD1 PHE 17 HD1 PHE 17 -2.257 0.568 -2.844 130 HD2 PHE 17 HD2 PHE 17 -6.027 -0.053 -0.965 131 HE1 PHE 17 HE1 PHE 17 -1.288 1.238 -0.685 132 HE2 PHE 17 HE2 PHE 17 -5.063 0.617 1.197 133 HZ PHE 17 HZ PHE 17 -2.692 1.262 1.339 134 H ASN 18 H ASN 18 -5.025 -0.266 -6.656 135 HA ASN 18 HA ASN 18 -6.192 -2.816 -6.915 136 1HB ASN 18 1HB ASN 18 -5.771 -0.473 -8.706 137 2HB ASN 18 2HB ASN 18 -6.152 -2.013 -9.469 138 1HD2 ASN 18 1HD2 ASN 18 -7.305 0.569 -7.493 139 2HD2 ASN 18 2HD2 ASN 18 -8.970 0.086 -7.463 140 H GLU 19 H GLU 19 -3.165 -1.444 -8.088 141 HA GLU 19 HA GLU 19 -2.370 -3.574 -9.738 142 1HB GLU 19 1HB GLU 19 -1.348 -1.142 -9.232 143 2HB GLU 19 2HB GLU 19 -0.287 -2.101 -8.210 144 1HG GLU 19 1HG GLU 19 0.846 -1.954 -10.230 145 2HG GLU 19 2HG GLU 19 0.100 -3.550 -10.274 146 H TYR 20 H TYR 20 -1.583 -2.855 -6.349 147 HA TYR 20 HA TYR 20 -0.034 -5.088 -5.778 148 1HB TYR 20 1HB TYR 20 -0.182 -3.317 -4.177 149 2HB TYR 20 2HB TYR 20 -1.927 -3.485 -4.051 150 HD1 TYR 20 HD1 TYR 20 1.287 -4.665 -2.869 151 HD2 TYR 20 HD2 TYR 20 -2.895 -5.443 -2.869 152 HE1 TYR 20 HE1 TYR 20 1.574 -6.172 -0.947 153 HE2 TYR 20 HE2 TYR 20 -2.620 -6.952 -0.946 154 HH TYR 20 HH TYR 20 0.188 -7.065 0.915 155 H GLN 21 H GLN 21 -3.539 -4.662 -5.503 156 HA GLN 21 HA GLN 21 -4.191 -7.181 -4.509 157 1HB GLN 21 1HB GLN 21 -5.792 -5.332 -4.608 158 2HB GLN 21 2HB GLN 21 -5.791 -5.408 -6.365 159 1HG GLN 21 1HG GLN 21 -7.048 -7.316 -6.426 160 2HG GLN 21 2HG GLN 21 -6.526 -7.844 -4.827 161 1HE2 GLN 21 1HE2 GLN 21 -7.747 -7.366 -3.105 162 2HE2 GLN 21 2HE2 GLN 21 -9.181 -6.404 -3.148 163 H ARG 22 H ARG 22 -4.370 -6.102 -7.905 164 HA ARG 22 HA ARG 22 -4.976 -8.529 -9.067 165 1HB ARG 22 1HB ARG 22 -5.026 -6.476 -10.341 166 2HB ARG 22 2HB ARG 22 -3.291 -6.262 -10.144 167 1HG ARG 22 1HG ARG 22 -2.795 -8.031 -11.603 168 2HG ARG 22 2HG ARG 22 -4.450 -8.644 -11.551 169 1HD ARG 22 1HD ARG 22 -5.187 -6.520 -12.639 170 2HD ARG 22 2HD ARG 22 -3.487 -6.093 -12.835 171 HE ARG 22 HE ARG 22 -4.984 -8.026 -14.360 172 1HH1 ARG 22 1HH1 ARG 22 -1.823 -6.960 -13.360 173 2HH1 ARG 22 2HH1 ARG 22 -1.009 -7.692 -14.702 174 1HH2 ARG 22 1HH2 ARG 22 -3.923 -8.994 -16.132 175 2HH2 ARG 22 2HH2 ARG 22 -2.203 -8.849 -16.279 176 H ARG 23 H ARG 23 -1.732 -7.147 -8.545 177 HA ARG 23 HA ARG 23 -0.289 -9.317 -9.573 178 1HB ARG 23 1HB ARG 23 0.294 -6.934 -7.959 179 2HB ARG 23 2HB ARG 23 1.376 -8.287 -7.645 180 1HG ARG 23 1HG ARG 23 2.447 -7.100 -9.326 181 2HG ARG 23 2HG ARG 23 1.639 -8.405 -10.196 182 1HD ARG 23 1HD ARG 23 -0.303 -6.653 -10.385 183 2HD ARG 23 2HD ARG 23 0.998 -5.495 -10.111 184 HE ARG 23 HE ARG 23 0.527 -7.044 -12.485 185 1HH1 ARG 23 1HH1 ARG 23 2.905 -5.329 -10.607 186 2HH1 ARG 23 2HH1 ARG 23 3.952 -5.040 -11.956 187 1HH2 ARG 23 1HH2 ARG 23 1.896 -6.668 -14.269 188 2HH2 ARG 23 2HH2 ARG 23 3.378 -5.802 -14.039 189 H VAL 24 H VAL 24 -0.663 -8.478 -6.122 190 HA VAL 24 HA VAL 24 0.347 -10.780 -5.022 191 HB VAL 24 HB VAL 24 -2.003 -9.211 -3.952 192 1HG1 VAL 24 1HG1 VAL 24 -0.472 -10.146 -1.840 193 2HG1 VAL 24 2HG1 VAL 24 -0.547 -11.509 -2.956 194 3HG1 VAL 24 3HG1 VAL 24 -2.035 -10.772 -2.363 195 1HG2 VAL 24 1HG2 VAL 24 0.455 -8.615 -2.646 196 2HG2 VAL 24 2HG2 VAL 24 -0.600 -7.537 -3.560 197 3HG2 VAL 24 3HG2 VAL 24 0.682 -8.423 -4.384 198 H ALA 25 H ALA 25 -2.774 -10.284 -6.504 199 HA ALA 25 HA ALA 25 -4.096 -12.563 -5.509 200 1HB ALA 25 1HB ALA 25 -4.484 -11.043 -8.082 201 2HB ALA 25 2HB ALA 25 -5.350 -10.811 -6.563 202 3HB ALA 25 3HB ALA 25 -5.574 -12.296 -7.488 203 H ASP 26 H ASP 26 -2.499 -12.069 -8.662 204 HA ASP 26 HA ASP 26 -2.673 -14.781 -9.445 205 1HB ASP 26 1HB ASP 26 -1.248 -12.357 -10.422 206 2HB ASP 26 2HB ASP 26 -0.639 -13.919 -10.960 207 H GLY 27 H GLY 27 -0.359 -12.975 -7.564 208 1HA GLY 27 1HA GLY 27 0.929 -14.331 -5.955 209 2HA GLY 27 2HA GLY 27 1.242 -15.443 -7.279 210 H GLU 28 H GLU 28 1.311 -11.982 -7.722 211 HA GLU 28 HA GLU 28 4.092 -12.153 -8.524 212 1HB GLU 28 1HB GLU 28 2.199 -9.792 -8.564 213 2HB GLU 28 2HB GLU 28 3.779 -9.864 -9.331 214 1HG GLU 28 1HG GLU 28 2.508 -12.046 -10.388 215 2HG GLU 28 2HG GLU 28 1.206 -10.866 -10.246 216 H ASP 29 H ASP 29 5.776 -10.961 -7.630 217 HA ASP 29 HA ASP 29 5.848 -10.717 -4.859 218 1HB ASP 29 1HB ASP 29 7.596 -9.966 -7.107 219 2HB ASP 29 2HB ASP 29 7.825 -9.007 -5.647 220 HA PRO 30 HA PRO 30 3.271 -6.991 -4.594 221 1HB PRO 30 1HB PRO 30 4.061 -7.235 -1.749 222 2HB PRO 30 2HB PRO 30 2.456 -7.080 -2.465 223 1HG PRO 30 1HG PRO 30 3.305 -9.414 -1.474 224 2HG PRO 30 2HG PRO 30 2.283 -9.335 -2.921 225 1HD PRO 30 1HD PRO 30 5.218 -9.837 -2.696 226 2HD PRO 30 2HD PRO 30 4.035 -10.538 -3.819 227 H LYS 31 H LYS 31 6.323 -7.409 -2.801 228 HA LYS 31 HA LYS 31 6.951 -4.765 -2.315 229 1HB LYS 31 1HB LYS 31 8.333 -7.265 -2.303 230 2HB LYS 31 2HB LYS 31 9.350 -6.065 -3.085 231 1HG LYS 31 1HG LYS 31 9.519 -4.769 -1.188 232 2HG LYS 31 2HG LYS 31 8.033 -5.416 -0.487 233 1HD LYS 31 1HD LYS 31 9.324 -6.759 0.737 234 2HD LYS 31 2HD LYS 31 9.688 -7.629 -0.755 235 1HE LYS 31 1HE LYS 31 11.238 -5.212 0.139 236 2HE LYS 31 2HE LYS 31 11.674 -6.852 0.615 237 1HZ LYS 31 1HZ LYS 31 11.618 -7.308 -1.899 238 2HZ LYS 31 2HZ LYS 31 12.950 -6.487 -1.257 239 3HZ LYS 31 3HZ LYS 31 11.737 -5.630 -2.065 240 H ASP 32 H ASP 32 7.281 -6.638 -5.265 241 HA ASP 32 HA ASP 32 8.688 -4.669 -6.763 242 1HB ASP 32 1HB ASP 32 7.792 -7.290 -7.207 243 2HB ASP 32 2HB ASP 32 6.919 -6.305 -8.378 244 H VAL 33 H VAL 33 5.306 -5.442 -6.188 245 HA VAL 33 HA VAL 33 4.152 -3.576 -7.953 246 HB VAL 33 HB VAL 33 3.031 -4.518 -5.309 247 1HG1 VAL 33 1HG1 VAL 33 1.105 -3.492 -5.824 248 2HG1 VAL 33 2HG1 VAL 33 1.222 -3.917 -7.533 249 3HG1 VAL 33 3HG1 VAL 33 2.100 -2.520 -6.909 250 1HG2 VAL 33 1HG2 VAL 33 3.435 -6.491 -6.489 251 2HG2 VAL 33 2HG2 VAL 33 3.017 -5.757 -8.038 252 3HG2 VAL 33 3HG2 VAL 33 1.752 -6.108 -6.861 253 H LEU 34 H LEU 34 5.148 -3.367 -4.558 254 HA LEU 34 HA LEU 34 4.259 -0.851 -3.890 255 1HB LEU 34 1HB LEU 34 6.704 -2.397 -3.130 256 2HB LEU 34 2HB LEU 34 6.511 -0.752 -2.571 257 HG LEU 34 HG LEU 34 5.767 -2.583 -0.979 258 1HD1 LEU 34 1HD1 LEU 34 3.472 -0.777 -1.535 259 2HD1 LEU 34 2HD1 LEU 34 5.035 -0.062 -1.142 260 3HD1 LEU 34 3HD1 LEU 34 4.260 -1.166 -0.007 261 1HD2 LEU 34 1HD2 LEU 34 3.347 -3.267 -1.421 262 2HD2 LEU 34 2HD2 LEU 34 4.610 -4.104 -2.323 263 3HD2 LEU 34 3HD2 LEU 34 3.663 -2.834 -3.099 264 H ASP 35 H ASP 35 7.052 -1.765 -5.813 265 HA ASP 35 HA ASP 35 8.186 0.802 -6.051 266 1HB ASP 35 1HB ASP 35 9.085 -1.582 -6.753 267 2HB ASP 35 2HB ASP 35 8.357 -1.165 -8.301 268 H ASP 36 H ASP 36 5.701 -0.923 -7.839 269 HA ASP 36 HA ASP 36 5.362 1.143 -9.815 270 1HB ASP 36 1HB ASP 36 4.382 -1.541 -9.365 271 2HB ASP 36 2HB ASP 36 3.050 -0.460 -9.759 272 H LEU 37 H LEU 37 3.629 0.057 -6.925 273 HA LEU 37 HA LEU 37 1.383 1.610 -6.945 274 1HB LEU 37 1HB LEU 37 3.193 0.709 -4.740 275 2HB LEU 37 2HB LEU 37 1.840 1.756 -4.369 276 HG LEU 37 HG LEU 37 1.143 -0.606 -5.981 277 1HD1 LEU 37 1HD1 LEU 37 1.115 -1.942 -3.751 278 2HD1 LEU 37 2HD1 LEU 37 2.413 -0.842 -3.289 279 3HD1 LEU 37 3HD1 LEU 37 2.592 -1.871 -4.710 280 1HD2 LEU 37 1HD2 LEU 37 -0.189 -0.184 -3.435 281 2HD2 LEU 37 2HD2 LEU 37 -0.855 -0.241 -5.066 282 3HD2 LEU 37 3HD2 LEU 37 -0.177 1.264 -4.445 283 H GLY 38 H GLY 38 4.634 2.575 -5.937 284 1HA GLY 38 1HA GLY 38 5.604 4.666 -6.026 285 2HA GLY 38 2HA GLY 38 4.084 5.319 -6.616 286 H LEU 39 H LEU 39 5.170 3.721 -3.618 287 HA LEU 39 HA LEU 39 3.850 5.883 -2.118 288 1HB LEU 39 1HB LEU 39 4.608 3.313 -0.819 289 2HB LEU 39 2HB LEU 39 3.268 4.387 -0.472 290 HG LEU 39 HG LEU 39 2.452 3.572 -2.853 291 1HD1 LEU 39 1HD1 LEU 39 4.014 2.118 -3.637 292 2HD1 LEU 39 2HD1 LEU 39 3.007 0.988 -2.732 293 3HD1 LEU 39 3HD1 LEU 39 4.503 1.598 -2.024 294 1HD2 LEU 39 1HD2 LEU 39 0.888 2.348 -1.753 295 2HD2 LEU 39 2HD2 LEU 39 1.573 3.225 -0.386 296 3HD2 LEU 39 3HD2 LEU 39 2.071 1.565 -0.709 297 H LYS 40 H LYS 40 5.525 7.333 -1.980 298 HA LYS 40 HA LYS 40 8.199 6.862 -1.570 299 1HB LYS 40 1HB LYS 40 6.403 9.128 -0.764 300 2HB LYS 40 2HB LYS 40 8.099 9.138 -0.303 301 1HG LYS 40 1HG LYS 40 7.008 9.020 -3.107 302 2HG LYS 40 2HG LYS 40 7.778 10.405 -2.329 303 1HD LYS 40 1HD LYS 40 9.626 8.382 -2.006 304 2HD LYS 40 2HD LYS 40 8.975 8.087 -3.620 305 1HE LYS 40 1HE LYS 40 10.027 9.858 -4.472 306 2HE LYS 40 2HE LYS 40 9.500 10.900 -3.151 307 1HZ LYS 40 1HZ LYS 40 11.324 10.183 -1.824 308 2HZ LYS 40 2HZ LYS 40 11.944 10.633 -3.332 309 3HZ LYS 40 3HZ LYS 40 11.765 8.996 -2.945 310 H ARG 41 H ARG 41 9.548 6.626 0.182 311 HA ARG 41 HA ARG 41 10.221 5.958 2.248 312 1HB ARG 41 1HB ARG 41 7.595 7.115 3.199 313 2HB ARG 41 2HB ARG 41 9.006 6.769 4.191 314 1HG ARG 41 1HG ARG 41 10.183 8.419 2.522 315 2HG ARG 41 2HG ARG 41 8.531 8.987 2.271 316 1HD ARG 41 1HD ARG 41 8.278 9.465 4.609 317 2HD ARG 41 2HD ARG 41 9.836 8.724 4.974 318 HE ARG 41 HE ARG 41 9.371 11.373 3.960 319 1HH1 ARG 41 1HH1 ARG 41 11.658 8.759 4.204 320 2HH1 ARG 41 2HH1 ARG 41 13.043 9.779 4.003 321 1HH2 ARG 41 1HH2 ARG 41 11.187 12.727 3.695 322 2HH2 ARG 41 2HH2 ARG 41 12.776 12.036 3.714 323 H TYR 42 H TYR 42 10.239 4.014 3.200 324 HA TYR 42 HA TYR 42 8.250 2.095 2.488 325 1HB TYR 42 1HB TYR 42 9.632 0.488 3.619 326 2HB TYR 42 2HB TYR 42 10.694 1.590 2.750 327 HD1 TYR 42 HD1 TYR 42 12.296 2.912 3.898 328 HD2 TYR 42 HD2 TYR 42 9.391 0.713 6.095 329 HE1 TYR 42 HE1 TYR 42 13.532 3.366 5.976 330 HE2 TYR 42 HE2 TYR 42 10.619 1.160 8.178 331 HH TYR 42 HH TYR 42 12.748 1.794 8.962 332 H CYS 43 H CYS 43 8.523 4.309 5.061 333 HA CYS 43 HA CYS 43 7.492 3.039 7.257 334 1HB CYS 43 1HB CYS 43 6.427 5.233 7.832 335 2HB CYS 43 2HB CYS 43 8.123 5.357 7.378 336 H CYS 44 H CYS 44 5.875 3.863 4.292 337 HA CYS 44 HA CYS 44 3.245 3.217 5.349 338 1HB CYS 44 1HB CYS 44 3.757 3.582 2.423 339 2HB CYS 44 2HB CYS 44 2.357 4.064 3.380 340 H ARG 45 H ARG 45 5.292 2.019 2.687 341 HA ARG 45 HA ARG 45 3.910 -0.228 1.990 342 1HB ARG 45 1HB ARG 45 6.904 -0.327 2.246 343 2HB ARG 45 2HB ARG 45 5.885 -1.082 1.032 344 1HG ARG 45 1HG ARG 45 5.302 1.254 0.257 345 2HG ARG 45 2HG ARG 45 6.620 1.814 1.289 346 1HD ARG 45 1HD ARG 45 7.500 -0.390 -0.321 347 2HD ARG 45 2HD ARG 45 6.789 0.857 -1.343 348 HE ARG 45 HE ARG 45 8.513 2.098 0.469 349 1HH1 ARG 45 1HH1 ARG 45 8.654 -0.098 -2.230 350 2HH1 ARG 45 2HH1 ARG 45 10.242 0.394 -2.715 351 1HH2 ARG 45 1HH2 ARG 45 10.604 2.755 -0.161 352 2HH2 ARG 45 2HH2 ARG 45 11.351 2.018 -1.539 353 H ARG 46 H ARG 46 6.517 -0.162 4.440 354 HA ARG 46 HA ARG 46 6.517 -2.719 5.313 355 1HB ARG 46 1HB ARG 46 7.102 -1.857 7.567 356 2HB ARG 46 2HB ARG 46 7.994 -1.074 6.270 357 1HG ARG 46 1HG ARG 46 7.344 0.892 7.035 358 2HG ARG 46 2HG ARG 46 5.666 0.455 6.703 359 1HD ARG 46 1HD ARG 46 5.274 0.504 8.886 360 2HD ARG 46 2HD ARG 46 6.353 -0.879 9.070 361 HE ARG 46 HE ARG 46 6.922 1.876 9.715 362 1HH1 ARG 46 1HH1 ARG 46 8.254 -1.269 9.026 363 2HH1 ARG 46 2HH1 ARG 46 9.755 -0.950 9.828 364 1HH2 ARG 46 1HH2 ARG 46 8.894 2.304 10.772 365 2HH2 ARG 46 2HH2 ARG 46 10.120 1.081 10.820 366 H MET 47 H MET 47 4.045 -0.328 5.961 367 HA MET 47 HA MET 47 2.595 -2.105 7.748 368 1HB MET 47 1HB MET 47 1.742 0.570 6.635 369 2HB MET 47 2HB MET 47 1.019 -0.284 7.989 370 1HG MET 47 1HG MET 47 3.268 -0.071 9.136 371 2HG MET 47 2HG MET 47 3.696 1.062 7.856 372 1HE MET 47 1HE MET 47 1.636 2.466 7.035 373 2HE MET 47 2HE MET 47 1.855 3.930 7.990 374 3HE MET 47 3HE MET 47 0.334 3.040 8.077 375 H LEU 48 H LEU 48 2.441 -0.841 4.486 376 HA LEU 48 HA LEU 48 -0.122 -1.885 3.856 377 1HB LEU 48 1HB LEU 48 2.109 -1.141 1.966 378 2HB LEU 48 2HB LEU 48 0.411 -1.307 1.560 379 HG LEU 48 HG LEU 48 1.224 0.665 3.638 380 1HD1 LEU 48 1HD1 LEU 48 2.316 2.007 2.250 381 2HD1 LEU 48 2HD1 LEU 48 1.017 1.902 1.063 382 3HD1 LEU 48 3HD1 LEU 48 2.311 0.705 1.060 383 1HD2 LEU 48 1HD2 LEU 48 -1.035 0.304 1.713 384 2HD2 LEU 48 2HD2 LEU 48 -0.702 1.878 2.435 385 3HD2 LEU 48 3HD2 LEU 48 -1.082 0.499 3.466 386 H ILE 49 H ILE 49 2.998 -2.820 2.396 387 HA ILE 49 HA ILE 49 2.259 -5.084 1.111 388 HB ILE 49 HB ILE 49 4.583 -6.046 1.835 389 1HG1 ILE 49 1HG1 ILE 49 5.291 -3.213 2.364 390 2HG1 ILE 49 2HG1 ILE 49 4.509 -4.089 3.680 391 1HG2 ILE 49 1HG2 ILE 49 3.841 -4.902 -0.327 392 2HG2 ILE 49 2HG2 ILE 49 5.566 -4.918 0.044 393 3HG2 ILE 49 3HG2 ILE 49 4.617 -3.458 0.324 394 1HD1 ILE 49 1HD1 ILE 49 7.219 -4.271 2.677 395 2HD1 ILE 49 2HD1 ILE 49 6.437 -5.846 2.811 396 3HD1 ILE 49 3HD1 ILE 49 6.542 -4.791 4.220 397 H SER 50 H SER 50 2.614 -4.743 4.560 398 HA SER 50 HA SER 50 2.268 -7.591 5.027 399 1HB SER 50 1HB SER 50 2.395 -5.322 7.030 400 2HB SER 50 2HB SER 50 2.511 -7.046 7.387 401 HG SER 50 HG SER 50 4.474 -5.404 6.800 402 H HIS 51 H HIS 51 0.594 -4.668 6.208 403 HA HIS 51 HA HIS 51 -1.808 -6.219 6.674 404 1HB HIS 51 1HB HIS 51 -1.021 -4.554 8.327 405 2HB HIS 51 2HB HIS 51 -1.283 -3.276 7.146 406 HD2 HIS 51 HD2 HIS 51 -4.122 -5.788 7.070 407 HE1 HIS 51 HE1 HIS 51 -5.327 -2.606 9.589 408 HE2 HIS 51 HE2 HIS 51 -6.090 -4.685 8.351 409 H VAL 52 H VAL 52 -1.461 -2.981 5.242 410 HA VAL 52 HA VAL 52 -2.879 -1.896 3.793 411 HB VAL 52 HB VAL 52 -1.039 -2.795 2.409 412 1HG1 VAL 52 1HG1 VAL 52 -1.151 -4.757 1.206 413 2HG1 VAL 52 2HG1 VAL 52 -2.904 -4.864 1.341 414 3HG1 VAL 52 3HG1 VAL 52 -1.888 -5.216 2.740 415 1HG2 VAL 52 1HG2 VAL 52 -3.651 -2.697 0.926 416 2HG2 VAL 52 2HG2 VAL 52 -2.050 -2.279 0.315 417 3HG2 VAL 52 3HG2 VAL 52 -2.811 -1.275 1.551 418 H GLU 53 H GLU 53 -4.648 -2.980 5.345 419 HA GLU 53 HA GLU 53 -6.346 -4.967 4.475 420 1HB GLU 53 1HB GLU 53 -6.347 -3.203 6.556 421 2HB GLU 53 2HB GLU 53 -7.715 -2.622 5.617 422 1HG GLU 53 1HG GLU 53 -8.451 -5.098 5.609 423 2HG GLU 53 2HG GLU 53 -7.324 -5.258 6.956 424 H THR 54 H THR 54 -6.612 -4.956 2.247 425 HA THR 54 HA THR 54 -7.613 -2.662 0.849 426 HB THR 54 HB THR 54 -7.980 -4.411 -1.014 427 HG1 THR 54 HG1 THR 54 -6.214 -5.981 0.538 428 1HG2 THR 54 1HG2 THR 54 -5.750 -4.215 -1.707 429 2HG2 THR 54 2HG2 THR 54 -5.141 -4.227 -0.051 430 3HG2 THR 54 3HG2 THR 54 -6.002 -2.815 -0.665 431 H TRP 55 H TRP 55 -9.001 -5.476 2.370 432 HA TRP 55 HA TRP 55 -11.477 -5.637 1.163 433 1HB TRP 55 1HB TRP 55 -10.312 -6.455 3.706 434 2HB TRP 55 2HB TRP 55 -12.023 -6.065 3.856 435 HD1 TRP 55 HD1 TRP 55 -9.721 -8.362 1.754 436 HE1 TRP 55 HE1 TRP 55 -11.073 -10.452 1.097 437 HE3 TRP 55 HE3 TRP 55 -14.268 -7.026 3.674 438 HZ2 TRP 55 HZ2 TRP 55 -13.716 -11.408 1.358 439 HZ3 TRP 55 HZ3 TRP 55 -16.156 -8.585 3.429 440 HH2 TRP 55 HH2 TRP 55 -15.884 -10.730 2.295 Start of MODEL 2 1 H MET 1 H MET 1 -7.339 3.675 0.014 2 HA MET 1 HA MET 1 -5.601 2.475 1.891 3 1HB MET 1 1HB MET 1 -4.363 4.575 1.815 4 2HB MET 1 2HB MET 1 -4.837 4.083 0.196 5 1HG MET 1 1HG MET 1 -5.289 6.333 0.174 6 2HG MET 1 2HG MET 1 -6.861 5.642 0.568 7 1HE MET 1 1HE MET 1 -3.556 6.848 2.132 8 2HE MET 1 2HE MET 1 -4.035 5.731 3.413 9 3HE MET 1 3HE MET 1 -4.034 7.470 3.712 10 H ILE 2 H ILE 2 -4.871 3.675 3.910 11 HA ILE 2 HA ILE 2 -7.259 4.399 5.449 12 HB ILE 2 HB ILE 2 -4.632 3.257 6.375 13 1HG1 ILE 2 1HG1 ILE 2 -6.080 1.374 7.129 14 2HG1 ILE 2 2HG1 ILE 2 -7.449 2.165 6.356 15 1HG2 ILE 2 1HG2 ILE 2 -6.728 4.667 7.862 16 2HG2 ILE 2 2HG2 ILE 2 -5.038 4.377 8.276 17 3HG2 ILE 2 3HG2 ILE 2 -6.244 3.117 8.547 18 1HD1 ILE 2 1HD1 ILE 2 -6.785 1.590 4.276 19 2HD1 ILE 2 2HD1 ILE 2 -6.029 0.269 5.168 20 3HD1 ILE 2 3HD1 ILE 2 -5.070 1.665 4.680 21 HA PRO 3 HA PRO 3 -5.507 8.536 5.621 22 1HB PRO 3 1HB PRO 3 -7.329 9.662 7.210 23 2HB PRO 3 2HB PRO 3 -7.772 9.148 5.574 24 1HG PRO 3 1HG PRO 3 -8.098 7.643 8.169 25 2HG PRO 3 2HG PRO 3 -9.351 8.024 6.957 26 1HD PRO 3 1HD PRO 3 -8.124 5.643 6.948 27 2HD PRO 3 2HD PRO 3 -8.503 6.470 5.422 28 H VAL 4 H VAL 4 -5.263 10.159 7.626 29 HA VAL 4 HA VAL 4 -4.268 10.615 9.618 30 HB VAL 4 HB VAL 4 -5.772 8.106 10.137 31 1HG1 VAL 4 1HG1 VAL 4 -3.693 9.128 12.071 32 2HG1 VAL 4 2HG1 VAL 4 -3.810 7.510 11.374 33 3HG1 VAL 4 3HG1 VAL 4 -5.029 8.068 12.522 34 1HG2 VAL 4 1HG2 VAL 4 -6.733 10.386 10.251 35 2HG2 VAL 4 2HG2 VAL 4 -5.677 10.720 11.624 36 3HG2 VAL 4 3HG2 VAL 4 -6.907 9.462 11.744 37 H ARG 5 H ARG 5 -3.691 7.123 9.260 38 HA ARG 5 HA ARG 5 -0.952 7.347 10.032 39 1HB ARG 5 1HB ARG 5 -2.824 5.326 9.942 40 2HB ARG 5 2HB ARG 5 -1.745 4.902 8.618 41 1HG ARG 5 1HG ARG 5 -0.866 3.778 10.445 42 2HG ARG 5 2HG ARG 5 0.146 5.216 10.321 43 1HD ARG 5 1HD ARG 5 -0.980 6.269 12.123 44 2HD ARG 5 2HD ARG 5 -2.255 5.050 12.123 45 HE ARG 5 HE ARG 5 -0.027 3.606 12.627 46 1HH1 ARG 5 1HH1 ARG 5 -1.387 6.475 14.058 47 2HH1 ARG 5 2HH1 ARG 5 -0.751 6.149 15.635 48 1HH2 ARG 5 1HH2 ARG 5 0.817 3.166 14.700 49 2HH2 ARG 5 2HH2 ARG 5 0.504 4.266 16.000 50 H CYS 6 H CYS 6 0.380 5.633 8.438 51 HA CYS 6 HA CYS 6 1.275 7.174 6.261 52 1HB CYS 6 1HB CYS 6 1.999 4.781 7.583 53 2HB CYS 6 2HB CYS 6 1.837 4.390 5.879 54 H LEU 7 H LEU 7 1.425 5.199 4.228 55 HA LEU 7 HA LEU 7 0.254 4.160 2.553 56 1HB LEU 7 1HB LEU 7 -2.286 5.058 3.886 57 2HB LEU 7 2HB LEU 7 -2.131 3.859 2.632 58 HG LEU 7 HG LEU 7 -2.160 2.300 4.221 59 1HD1 LEU 7 1HD1 LEU 7 0.217 3.338 5.680 60 2HD1 LEU 7 2HD1 LEU 7 0.418 2.778 4.019 61 3HD1 LEU 7 3HD1 LEU 7 -0.211 1.682 5.250 62 1HD2 LEU 7 1HD2 LEU 7 -3.093 4.330 5.585 63 2HD2 LEU 7 2HD2 LEU 7 -1.595 4.119 6.495 64 3HD2 LEU 7 3HD2 LEU 7 -2.743 2.786 6.363 65 H SER 8 H SER 8 1.155 6.913 2.695 66 HA SER 8 HA SER 8 0.100 7.853 0.262 67 1HB SER 8 1HB SER 8 -1.290 8.722 2.681 68 2HB SER 8 2HB SER 8 -0.682 10.075 1.726 69 HG SER 8 HG SER 8 -1.926 9.474 0.051 70 H CYS 9 H CYS 9 0.985 9.736 3.140 71 HA CYS 9 HA CYS 9 2.744 11.110 3.580 72 1HB CYS 9 1HB CYS 9 3.925 8.855 2.065 73 2HB CYS 9 2HB CYS 9 4.910 10.306 2.194 74 H GLY 10 H GLY 10 1.041 11.398 1.008 75 1HA GLY 10 1HA GLY 10 1.158 13.661 -0.016 76 2HA GLY 10 2HA GLY 10 2.850 13.308 -0.332 77 H LYS 11 H LYS 11 1.955 10.444 -0.950 78 HA LYS 11 HA LYS 11 1.032 11.012 -3.685 79 1HB LYS 11 1HB LYS 11 3.229 9.376 -2.638 80 2HB LYS 11 2HB LYS 11 2.254 8.567 -3.858 81 1HG LYS 11 1HG LYS 11 4.185 9.717 -4.823 82 2HG LYS 11 2HG LYS 11 2.660 10.384 -5.414 83 1HD LYS 11 1HD LYS 11 3.364 11.790 -3.062 84 2HD LYS 11 2HD LYS 11 4.796 11.725 -4.092 85 1HE LYS 11 1HE LYS 11 3.418 12.565 -5.975 86 2HE LYS 11 2HE LYS 11 2.061 12.733 -4.863 87 1HZ LYS 11 1HZ LYS 11 3.267 14.352 -3.610 88 2HZ LYS 11 2HZ LYS 11 3.305 14.816 -5.237 89 3HZ LYS 11 3HZ LYS 11 4.669 14.109 -4.526 90 HA PRO 12 HA PRO 12 -2.569 8.621 -2.478 91 1HB PRO 12 1HB PRO 12 -2.953 8.463 -5.415 92 2HB PRO 12 2HB PRO 12 -4.062 9.034 -4.163 93 1HG PRO 12 1HG PRO 12 -2.843 10.757 -5.790 94 2HG PRO 12 2HG PRO 12 -3.086 11.138 -4.073 95 1HD PRO 12 1HD PRO 12 -0.607 10.219 -5.480 96 2HD PRO 12 2HD PRO 12 -0.790 11.436 -4.200 97 H VAL 13 H VAL 13 -2.710 6.508 -2.068 98 HA VAL 13 HA VAL 13 -1.251 4.643 -3.823 99 HB VAL 13 HB VAL 13 -0.922 3.189 -1.934 100 1HG1 VAL 13 1HG1 VAL 13 -0.212 6.068 -1.439 101 2HG1 VAL 13 2HG1 VAL 13 0.791 4.798 -2.138 102 3HG1 VAL 13 3HG1 VAL 13 0.381 4.753 -0.423 103 1HG2 VAL 13 1HG2 VAL 13 -1.664 3.796 0.325 104 2HG2 VAL 13 2HG2 VAL 13 -3.028 3.572 -0.769 105 3HG2 VAL 13 3HG2 VAL 13 -2.506 5.198 -0.332 106 H SER 14 H SER 14 -4.326 5.478 -2.559 107 HA SER 14 HA SER 14 -5.658 3.047 -2.501 108 1HB SER 14 1HB SER 14 -7.074 5.446 -3.589 109 2HB SER 14 2HB SER 14 -7.607 4.281 -2.372 110 HG SER 14 HG SER 14 -7.109 6.260 -1.399 111 H ALA 15 H ALA 15 -5.142 5.240 -5.244 112 HA ALA 15 HA ALA 15 -6.645 3.738 -7.106 113 1HB ALA 15 1HB ALA 15 -4.606 5.905 -7.321 114 2HB ALA 15 2HB ALA 15 -6.309 5.910 -7.782 115 3HB ALA 15 3HB ALA 15 -5.130 5.047 -8.771 116 H TYR 16 H TYR 16 -3.315 3.554 -6.034 117 HA TYR 16 HA TYR 16 -2.557 1.716 -8.131 118 1HB TYR 16 1HB TYR 16 -1.195 3.091 -5.872 119 2HB TYR 16 2HB TYR 16 -0.482 1.597 -6.463 120 HD1 TYR 16 HD1 TYR 16 0.082 1.431 -8.938 121 HD2 TYR 16 HD2 TYR 16 -0.849 5.113 -7.021 122 HE1 TYR 16 HE1 TYR 16 1.154 2.655 -10.782 123 HE2 TYR 16 HE2 TYR 16 0.221 6.347 -8.860 124 HH TYR 16 HH TYR 16 0.855 5.122 -11.772 125 H PHE 17 H PHE 17 -3.776 1.575 -4.903 126 HA PHE 17 HA PHE 17 -2.906 -0.817 -3.909 127 1HB PHE 17 1HB PHE 17 -5.481 0.665 -3.720 128 2HB PHE 17 2HB PHE 17 -5.469 -1.001 -3.155 129 HD1 PHE 17 HD1 PHE 17 -2.365 0.823 -2.828 130 HD2 PHE 17 HD2 PHE 17 -6.067 -0.082 -0.931 131 HE1 PHE 17 HE1 PHE 17 -1.435 1.556 -0.670 132 HE2 PHE 17 HE2 PHE 17 -5.144 0.650 1.227 133 HZ PHE 17 HZ PHE 17 -2.826 1.471 1.361 134 H ASN 18 H ASN 18 -5.089 -0.291 -6.579 135 HA ASN 18 HA ASN 18 -6.182 -2.871 -6.796 136 1HB ASN 18 1HB ASN 18 -6.595 -0.568 -8.125 137 2HB ASN 18 2HB ASN 18 -5.569 -1.388 -9.299 138 1HD2 ASN 18 1HD2 ASN 18 -8.538 -1.652 -7.438 139 2HD2 ASN 18 2HD2 ASN 18 -9.339 -2.738 -8.526 140 H GLU 19 H GLU 19 -3.166 -1.467 -7.939 141 HA GLU 19 HA GLU 19 -2.321 -3.606 -9.562 142 1HB GLU 19 1HB GLU 19 -1.351 -1.148 -9.106 143 2HB GLU 19 2HB GLU 19 -0.289 -2.053 -8.039 144 1HG GLU 19 1HG GLU 19 0.969 -2.183 -9.894 145 2HG GLU 19 2HG GLU 19 -0.076 -3.561 -10.234 146 H TYR 20 H TYR 20 -1.620 -2.826 -6.166 147 HA TYR 20 HA TYR 20 -0.017 -5.005 -5.529 148 1HB TYR 20 1HB TYR 20 -0.256 -3.262 -3.923 149 2HB TYR 20 2HB TYR 20 -2.006 -3.434 -3.887 150 HD1 TYR 20 HD1 TYR 20 -3.030 -5.391 -2.749 151 HD2 TYR 20 HD2 TYR 20 1.147 -4.612 -2.545 152 HE1 TYR 20 HE1 TYR 20 -2.848 -6.900 -0.816 153 HE2 TYR 20 HE2 TYR 20 1.342 -6.120 -0.613 154 HH TYR 20 HH TYR 20 -1.148 -7.094 1.216 155 H GLN 21 H GLN 21 -3.540 -4.693 -5.330 156 HA GLN 21 HA GLN 21 -4.130 -7.246 -4.387 157 1HB GLN 21 1HB GLN 21 -5.871 -5.630 -4.413 158 2HB GLN 21 2HB GLN 21 -5.678 -5.334 -6.134 159 1HG GLN 21 1HG GLN 21 -6.453 -7.696 -6.509 160 2HG GLN 21 2HG GLN 21 -6.852 -7.744 -4.796 161 1HE2 GLN 21 1HE2 GLN 21 -8.104 -5.621 -4.144 162 2HE2 GLN 21 2HE2 GLN 21 -9.471 -5.282 -5.144 163 H ARG 22 H ARG 22 -4.549 -6.192 -7.759 164 HA ARG 22 HA ARG 22 -4.939 -8.574 -8.979 165 1HB ARG 22 1HB ARG 22 -5.026 -6.495 -10.207 166 2HB ARG 22 2HB ARG 22 -3.299 -6.248 -9.995 167 1HG ARG 22 1HG ARG 22 -2.741 -7.877 -11.540 168 2HG ARG 22 2HG ARG 22 -4.309 -8.679 -11.410 169 1HD ARG 22 1HD ARG 22 -4.803 -6.039 -12.274 170 2HD ARG 22 2HD ARG 22 -3.465 -6.655 -13.244 171 HE ARG 22 HE ARG 22 -5.530 -8.577 -13.101 172 1HH1 ARG 22 1HH1 ARG 22 -4.733 -5.526 -14.577 173 2HH1 ARG 22 2HH1 ARG 22 -5.743 -5.784 -15.959 174 1HH2 ARG 22 1HH2 ARG 22 -6.864 -8.928 -14.919 175 2HH2 ARG 22 2HH2 ARG 22 -6.954 -7.717 -16.155 176 H ARG 23 H ARG 23 -1.713 -7.139 -8.422 177 HA ARG 23 HA ARG 23 -0.213 -9.221 -9.501 178 1HB ARG 23 1HB ARG 23 0.302 -6.878 -7.921 179 2HB ARG 23 2HB ARG 23 1.240 -8.229 -7.290 180 1HG ARG 23 1HG ARG 23 2.703 -7.453 -8.847 181 2HG ARG 23 2HG ARG 23 1.789 -8.578 -9.852 182 1HD ARG 23 1HD ARG 23 0.290 -6.608 -10.426 183 2HD ARG 23 2HD ARG 23 1.532 -5.588 -9.698 184 HE ARG 23 HE ARG 23 2.873 -5.956 -11.528 185 1HH1 ARG 23 1HH1 ARG 23 0.186 -8.170 -11.585 186 2HH1 ARG 23 2HH1 ARG 23 0.511 -8.724 -13.195 187 1HH2 ARG 23 1HH2 ARG 23 3.310 -6.678 -13.645 188 2HH2 ARG 23 2HH2 ARG 23 2.286 -7.875 -14.365 189 H VAL 24 H VAL 24 -0.817 -8.654 -6.025 190 HA VAL 24 HA VAL 24 0.186 -11.011 -5.032 191 HB VAL 24 HB VAL 24 -2.285 -9.598 -4.023 192 1HG1 VAL 24 1HG1 VAL 24 -1.800 -10.618 -1.892 193 2HG1 VAL 24 2HG1 VAL 24 -0.353 -11.383 -2.551 194 3HG1 VAL 24 3HG1 VAL 24 -1.948 -11.875 -3.121 195 1HG2 VAL 24 1HG2 VAL 24 0.388 -8.694 -4.184 196 2HG2 VAL 24 2HG2 VAL 24 0.052 -9.052 -2.490 197 3HG2 VAL 24 3HG2 VAL 24 -0.978 -7.928 -3.373 198 H ALA 25 H ALA 25 -2.760 -10.489 -6.790 199 HA ALA 25 HA ALA 25 -4.122 -12.858 -6.058 200 1HB ALA 25 1HB ALA 25 -5.656 -12.340 -7.729 201 2HB ALA 25 2HB ALA 25 -4.442 -11.542 -8.730 202 3HB ALA 25 3HB ALA 25 -5.021 -10.764 -7.256 203 H ASP 26 H ASP 26 -2.328 -12.084 -9.048 204 HA ASP 26 HA ASP 26 -2.372 -14.708 -10.063 205 1HB ASP 26 1HB ASP 26 -0.937 -12.196 -10.693 206 2HB ASP 26 2HB ASP 26 -0.164 -13.680 -11.242 207 H GLY 27 H GLY 27 -0.114 -13.023 -7.950 208 1HA GLY 27 1HA GLY 27 0.945 -14.554 -6.288 209 2HA GLY 27 2HA GLY 27 1.374 -15.561 -7.661 210 H GLU 28 H GLU 28 1.556 -12.041 -7.617 211 HA GLU 28 HA GLU 28 4.423 -12.249 -8.137 212 1HB GLU 28 1HB GLU 28 2.535 -9.896 -8.382 213 2HB GLU 28 2HB GLU 28 4.237 -9.876 -8.812 214 1HG GLU 28 1HG GLU 28 3.299 -10.214 -10.858 215 2HG GLU 28 2HG GLU 28 3.562 -11.882 -10.350 216 H ASP 29 H ASP 29 5.934 -10.867 -7.054 217 HA ASP 29 HA ASP 29 5.524 -10.744 -4.242 218 1HB ASP 29 1HB ASP 29 7.725 -10.699 -5.955 219 2HB ASP 29 2HB ASP 29 7.732 -9.112 -5.192 220 HA PRO 30 HA PRO 30 3.204 -6.869 -4.381 221 1HB PRO 30 1HB PRO 30 3.900 -6.947 -1.489 222 2HB PRO 30 2HB PRO 30 2.340 -6.684 -2.270 223 1HG PRO 30 1HG PRO 30 2.905 -9.022 -1.119 224 2HG PRO 30 2HG PRO 30 1.981 -8.944 -2.631 225 1HD PRO 30 1HD PRO 30 4.831 -9.704 -2.190 226 2HD PRO 30 2HD PRO 30 3.659 -10.343 -3.360 227 H LYS 31 H LYS 31 6.231 -7.306 -2.579 228 HA LYS 31 HA LYS 31 6.973 -4.682 -2.180 229 1HB LYS 31 1HB LYS 31 8.273 -7.250 -2.214 230 2HB LYS 31 2HB LYS 31 9.315 -6.043 -2.951 231 1HG LYS 31 1HG LYS 31 8.114 -5.049 -0.518 232 2HG LYS 31 2HG LYS 31 9.003 -6.550 -0.244 233 1HD LYS 31 1HD LYS 31 10.535 -4.753 0.068 234 2HD LYS 31 2HD LYS 31 10.935 -5.526 -1.468 235 1HE LYS 31 1HE LYS 31 9.069 -3.571 -2.124 236 2HE LYS 31 2HE LYS 31 10.112 -2.806 -0.925 237 1HZ LYS 31 1HZ LYS 31 11.456 -4.311 -3.019 238 2HZ LYS 31 2HZ LYS 31 11.872 -2.833 -2.308 239 3HZ LYS 31 3HZ LYS 31 10.684 -2.889 -3.512 240 H ASP 32 H ASP 32 7.177 -6.644 -5.085 241 HA ASP 32 HA ASP 32 8.580 -4.729 -6.666 242 1HB ASP 32 1HB ASP 32 7.731 -7.367 -7.008 243 2HB ASP 32 2HB ASP 32 6.777 -6.451 -8.172 244 H VAL 33 H VAL 33 5.197 -5.500 -6.042 245 HA VAL 33 HA VAL 33 4.008 -3.725 -7.861 246 HB VAL 33 HB VAL 33 2.964 -4.504 -5.133 247 1HG1 VAL 33 1HG1 VAL 33 0.910 -4.105 -7.043 248 2HG1 VAL 33 2HG1 VAL 33 1.982 -2.705 -7.103 249 3HG1 VAL 33 3HG1 VAL 33 1.239 -3.181 -5.577 250 1HG2 VAL 33 1HG2 VAL 33 2.589 -5.825 -7.815 251 2HG2 VAL 33 2HG2 VAL 33 1.691 -6.234 -6.354 252 3HG2 VAL 33 3HG2 VAL 33 3.435 -6.490 -6.416 253 H LEU 34 H LEU 34 5.047 -3.306 -4.495 254 HA LEU 34 HA LEU 34 4.194 -0.732 -4.010 255 1HB LEU 34 1HB LEU 34 6.595 -2.274 -3.113 256 2HB LEU 34 2HB LEU 34 6.432 -0.591 -2.668 257 HG LEU 34 HG LEU 34 5.626 -2.304 -0.969 258 1HD1 LEU 34 1HD1 LEU 34 3.292 -0.623 -1.460 259 2HD1 LEU 34 2HD1 LEU 34 4.823 0.250 -1.524 260 3HD1 LEU 34 3HD1 LEU 34 4.392 -0.669 -0.081 261 1HD2 LEU 34 1HD2 LEU 34 3.196 -2.949 -1.395 262 2HD2 LEU 34 2HD2 LEU 34 4.441 -3.870 -2.237 263 3HD2 LEU 34 3HD2 LEU 34 3.533 -2.624 -3.092 264 H ASP 35 H ASP 35 7.026 -1.826 -5.794 265 HA ASP 35 HA ASP 35 8.217 0.683 -6.200 266 1HB ASP 35 1HB ASP 35 9.198 -1.628 -6.705 267 2HB ASP 35 2HB ASP 35 8.274 -1.575 -8.203 268 H ASP 36 H ASP 36 5.603 -1.006 -7.786 269 HA ASP 36 HA ASP 36 5.352 0.957 -9.900 270 1HB ASP 36 1HB ASP 36 4.343 -1.701 -9.361 271 2HB ASP 36 2HB ASP 36 3.030 -0.624 -9.828 272 H LEU 37 H LEU 37 3.636 0.028 -6.951 273 HA LEU 37 HA LEU 37 1.377 1.576 -7.067 274 1HB LEU 37 1HB LEU 37 3.168 0.748 -4.822 275 2HB LEU 37 2HB LEU 37 1.860 1.863 -4.494 276 HG LEU 37 HG LEU 37 1.009 -0.508 -5.986 277 1HD1 LEU 37 1HD1 LEU 37 2.490 -1.799 -4.762 278 2HD1 LEU 37 2HD1 LEU 37 1.037 -1.830 -3.766 279 3HD1 LEU 37 3HD1 LEU 37 2.375 -0.764 -3.340 280 1HD2 LEU 37 1HD2 LEU 37 -0.919 -0.148 -4.883 281 2HD2 LEU 37 2HD2 LEU 37 -0.206 1.432 -4.551 282 3HD2 LEU 37 3HD2 LEU 37 -0.106 0.149 -3.346 283 H GLY 38 H GLY 38 4.615 2.566 -6.033 284 1HA GLY 38 1HA GLY 38 5.617 4.632 -6.141 285 2HA GLY 38 2HA GLY 38 4.172 5.253 -6.924 286 H LEU 39 H LEU 39 5.070 3.964 -3.723 287 HA LEU 39 HA LEU 39 3.460 6.096 -2.507 288 1HB LEU 39 1HB LEU 39 4.580 3.742 -1.024 289 2HB LEU 39 2HB LEU 39 3.187 4.730 -0.628 290 HG LEU 39 HG LEU 39 2.241 3.723 -2.870 291 1HD1 LEU 39 1HD1 LEU 39 4.580 2.043 -2.250 292 2HD1 LEU 39 2HD1 LEU 39 3.769 2.342 -3.787 293 3HD1 LEU 39 3HD1 LEU 39 3.088 1.186 -2.642 294 1HD2 LEU 39 1HD2 LEU 39 1.753 3.339 -0.243 295 2HD2 LEU 39 2HD2 LEU 39 2.192 1.706 -0.742 296 3HD2 LEU 39 3HD2 LEU 39 0.867 2.545 -1.545 297 H LYS 40 H LYS 40 6.682 4.896 -2.850 298 HA LYS 40 HA LYS 40 8.704 5.730 -2.240 299 1HB LYS 40 1HB LYS 40 6.926 8.017 -2.267 300 2HB LYS 40 2HB LYS 40 8.194 8.215 -1.065 301 1HG LYS 40 1HG LYS 40 9.188 9.129 -2.910 302 2HG LYS 40 2HG LYS 40 9.756 7.462 -3.018 303 1HD LYS 40 1HD LYS 40 7.647 7.089 -4.471 304 2HD LYS 40 2HD LYS 40 7.648 8.848 -4.631 305 1HE LYS 40 1HE LYS 40 10.079 8.621 -5.344 306 2HE LYS 40 2HE LYS 40 9.759 6.894 -5.497 307 1HZ LYS 40 1HZ LYS 40 8.600 7.196 -7.370 308 2HZ LYS 40 2HZ LYS 40 9.389 8.689 -7.456 309 3HZ LYS 40 3HZ LYS 40 7.829 8.593 -6.810 310 H ARG 41 H ARG 41 10.068 5.963 -0.435 311 HA ARG 41 HA ARG 41 10.741 5.578 1.701 312 1HB ARG 41 1HB ARG 41 8.058 6.818 2.340 313 2HB ARG 41 2HB ARG 41 9.320 6.506 3.523 314 1HG ARG 41 1HG ARG 41 10.197 8.061 1.200 315 2HG ARG 41 2HG ARG 41 8.971 8.849 2.195 316 1HD ARG 41 1HD ARG 41 10.831 9.539 3.308 317 2HD ARG 41 2HD ARG 41 10.555 8.014 4.148 318 HE ARG 41 HE ARG 41 12.528 7.257 3.296 319 1HH1 ARG 41 1HH1 ARG 41 11.424 9.913 1.334 320 2HH1 ARG 41 2HH1 ARG 41 12.853 9.954 0.356 321 1HH2 ARG 41 1HH2 ARG 41 14.413 7.301 2.015 322 2HH2 ARG 41 2HH2 ARG 41 14.553 8.469 0.743 323 H TYR 42 H TYR 42 10.611 4.033 3.357 324 HA TYR 42 HA TYR 42 8.660 1.918 2.820 325 1HB TYR 42 1HB TYR 42 11.314 1.679 3.052 326 2HB TYR 42 2HB TYR 42 10.900 1.527 4.756 327 HD1 TYR 42 HD1 TYR 42 8.160 0.141 4.114 328 HD2 TYR 42 HD2 TYR 42 12.177 -0.579 2.913 329 HE1 TYR 42 HE1 TYR 42 7.627 -2.236 3.779 330 HE2 TYR 42 HE2 TYR 42 11.654 -2.958 2.574 331 HH TYR 42 HH TYR 42 9.912 -4.610 3.489 332 H CYS 43 H CYS 43 8.113 4.407 4.339 333 HA CYS 43 HA CYS 43 7.624 3.434 7.037 334 1HB CYS 43 1HB CYS 43 6.622 5.723 7.352 335 2HB CYS 43 2HB CYS 43 8.323 5.721 6.898 336 H CYS 44 H CYS 44 6.035 3.960 4.008 337 HA CYS 44 HA CYS 44 3.369 3.517 5.072 338 1HB CYS 44 1HB CYS 44 3.921 3.478 2.143 339 2HB CYS 44 2HB CYS 44 2.576 4.208 3.021 340 H ARG 45 H ARG 45 5.395 1.985 2.575 341 HA ARG 45 HA ARG 45 3.947 -0.210 1.972 342 1HB ARG 45 1HB ARG 45 6.908 -0.450 2.439 343 2HB ARG 45 2HB ARG 45 5.928 -1.277 1.240 344 1HG ARG 45 1HG ARG 45 5.511 0.991 0.206 345 2HG ARG 45 2HG ARG 45 6.782 1.600 1.269 346 1HD ARG 45 1HD ARG 45 8.426 0.274 0.250 347 2HD ARG 45 2HD ARG 45 7.230 -0.763 -0.527 348 HE ARG 45 HE ARG 45 6.745 1.665 -1.616 349 1HH1 ARG 45 1HH1 ARG 45 9.619 -0.264 -1.245 350 2HH1 ARG 45 2HH1 ARG 45 10.371 0.344 -2.683 351 1HH2 ARG 45 1HH2 ARG 45 7.724 2.474 -3.512 352 2HH2 ARG 45 2HH2 ARG 45 9.293 1.901 -3.971 353 H ARG 46 H ARG 46 6.329 -0.140 4.632 354 HA ARG 46 HA ARG 46 6.297 -2.618 5.622 355 1HB ARG 46 1HB ARG 46 6.632 -1.730 7.849 356 2HB ARG 46 2HB ARG 46 7.456 -0.706 6.678 357 1HG ARG 46 1HG ARG 46 5.436 0.797 6.751 358 2HG ARG 46 2HG ARG 46 4.886 -0.154 8.133 359 1HD ARG 46 1HD ARG 46 7.545 0.459 8.694 360 2HD ARG 46 2HD ARG 46 6.869 1.940 8.016 361 HE ARG 46 HE ARG 46 5.005 1.182 9.823 362 1HH1 ARG 46 1HH1 ARG 46 8.451 1.663 9.993 363 2HH1 ARG 46 2HH1 ARG 46 8.432 2.142 11.657 364 1HH2 ARG 46 1HH2 ARG 46 4.970 1.810 12.016 365 2HH2 ARG 46 2HH2 ARG 46 6.453 2.224 12.808 366 H MET 47 H MET 47 3.690 -0.286 6.170 367 HA MET 47 HA MET 47 2.127 -2.163 7.688 368 1HB MET 47 1HB MET 47 1.878 0.654 6.788 369 2HB MET 47 2HB MET 47 0.385 -0.216 7.068 370 1HG MET 47 1HG MET 47 0.633 -0.197 9.296 371 2HG MET 47 2HG MET 47 2.369 -0.490 9.205 372 1HE MET 47 1HE MET 47 1.519 2.839 7.052 373 2HE MET 47 2HE MET 47 0.499 3.570 8.292 374 3HE MET 47 3HE MET 47 0.077 1.996 7.619 375 H LEU 48 H LEU 48 2.162 -0.787 4.456 376 HA LEU 48 HA LEU 48 -0.284 -1.899 3.649 377 1HB LEU 48 1HB LEU 48 1.973 -1.090 1.826 378 2HB LEU 48 2HB LEU 48 0.264 -1.154 1.442 379 HG LEU 48 HG LEU 48 1.231 0.683 3.596 380 1HD1 LEU 48 1HD1 LEU 48 2.319 2.032 2.215 381 2HD1 LEU 48 2HD1 LEU 48 0.959 2.045 1.094 382 3HD1 LEU 48 3HD1 LEU 48 2.193 0.791 0.969 383 1HD2 LEU 48 1HD2 LEU 48 -1.104 0.556 3.491 384 2HD2 LEU 48 2HD2 LEU 48 -1.111 0.561 1.728 385 3HD2 LEU 48 3HD2 LEU 48 -0.693 2.028 2.612 386 H ILE 49 H ILE 49 2.922 -2.724 2.291 387 HA ILE 49 HA ILE 49 2.313 -4.931 0.883 388 HB ILE 49 HB ILE 49 4.600 -5.897 1.715 389 1HG1 ILE 49 1HG1 ILE 49 5.244 -3.086 2.390 390 2HG1 ILE 49 2HG1 ILE 49 4.374 -4.002 3.619 391 1HG2 ILE 49 1HG2 ILE 49 5.747 -4.446 0.145 392 2HG2 ILE 49 2HG2 ILE 49 4.421 -3.284 0.225 393 3HG2 ILE 49 3HG2 ILE 49 4.153 -4.882 -0.470 394 1HD1 ILE 49 1HD1 ILE 49 6.131 -5.729 3.521 395 2HD1 ILE 49 2HD1 ILE 49 6.729 -4.149 4.027 396 3HD1 ILE 49 3HD1 ILE 49 7.018 -4.714 2.382 397 H SER 50 H SER 50 2.407 -4.790 4.371 398 HA SER 50 HA SER 50 2.326 -7.633 4.734 399 1HB SER 50 1HB SER 50 2.554 -5.306 6.412 400 2HB SER 50 2HB SER 50 1.290 -6.365 7.041 401 HG SER 50 HG SER 50 3.887 -6.653 7.300 402 H HIS 51 H HIS 51 -0.071 -5.330 5.968 403 HA HIS 51 HA HIS 51 -2.150 -7.290 5.466 404 1HB HIS 51 1HB HIS 51 -3.577 -5.489 6.663 405 2HB HIS 51 2HB HIS 51 -2.391 -6.399 7.594 406 HD2 HIS 51 HD2 HIS 51 -0.199 -4.960 8.520 407 HE1 HIS 51 HE1 HIS 51 -1.767 -1.197 7.379 408 HE2 HIS 51 HE2 HIS 51 0.039 -2.383 8.707 409 H VAL 52 H VAL 52 -1.979 -3.761 4.934 410 HA VAL 52 HA VAL 52 -3.238 -2.446 3.536 411 HB VAL 52 HB VAL 52 -1.189 -2.880 2.273 412 1HG1 VAL 52 1HG1 VAL 52 -0.907 -4.572 0.722 413 2HG1 VAL 52 2HG1 VAL 52 -2.632 -4.910 0.621 414 3HG1 VAL 52 3HG1 VAL 52 -1.721 -5.393 2.050 415 1HG2 VAL 52 1HG2 VAL 52 -3.784 -2.297 1.028 416 2HG2 VAL 52 2HG2 VAL 52 -2.463 -2.656 -0.083 417 3HG2 VAL 52 3HG2 VAL 52 -2.303 -1.340 1.079 418 H GLU 53 H GLU 53 -5.236 -3.524 4.440 419 HA GLU 53 HA GLU 53 -6.688 -5.520 3.283 420 1HB GLU 53 1HB GLU 53 -7.199 -3.713 5.218 421 2HB GLU 53 2HB GLU 53 -8.245 -3.090 3.950 422 1HG GLU 53 1HG GLU 53 -9.101 -5.503 3.768 423 2HG GLU 53 2HG GLU 53 -8.339 -5.729 5.342 424 H THR 54 H THR 54 -7.657 -5.882 1.391 425 HA THR 54 HA THR 54 -8.188 -3.591 -0.382 426 HB THR 54 HB THR 54 -7.505 -4.912 -2.320 427 HG1 THR 54 HG1 THR 54 -7.070 -6.885 -0.343 428 1HG2 THR 54 1HG2 THR 54 -5.849 -3.636 -0.618 429 2HG2 THR 54 2HG2 THR 54 -5.315 -4.377 -2.127 430 3HG2 THR 54 3HG2 THR 54 -5.127 -5.246 -0.604 431 H TRP 55 H TRP 55 -9.877 -5.298 1.434 432 HA TRP 55 HA TRP 55 -12.113 -5.540 -0.301 433 1HB TRP 55 1HB TRP 55 -12.464 -7.975 -0.072 434 2HB TRP 55 2HB TRP 55 -11.002 -7.601 -0.979 435 HD1 TRP 55 HD1 TRP 55 -8.646 -8.125 0.217 436 HE1 TRP 55 HE1 TRP 55 -8.034 -9.737 2.128 437 HE3 TRP 55 HE3 TRP 55 -13.326 -8.982 2.089 438 HZ2 TRP 55 HZ2 TRP 55 -9.360 -11.180 4.161 439 HZ3 TRP 55 HZ3 TRP 55 -13.568 -10.490 4.017 440 HH2 TRP 55 HH2 TRP 55 -11.624 -11.567 5.031 Start of MODEL 3 1 H MET 1 H MET 1 -7.584 4.160 -0.100 2 HA MET 1 HA MET 1 -5.842 2.714 1.466 3 1HB MET 1 1HB MET 1 -4.686 4.815 1.910 4 2HB MET 1 2HB MET 1 -5.214 4.744 0.235 5 1HG MET 1 1HG MET 1 -5.782 6.886 0.789 6 2HG MET 1 2HG MET 1 -7.290 6.039 1.128 7 1HE MET 1 1HE MET 1 -4.227 7.921 3.731 8 2HE MET 1 2HE MET 1 -3.933 6.745 2.450 9 3HE MET 1 3HE MET 1 -4.124 6.202 4.116 10 H ILE 2 H ILE 2 -5.392 2.531 3.613 11 HA ILE 2 HA ILE 2 -7.524 2.657 5.453 12 HB ILE 2 HB ILE 2 -4.549 2.357 5.879 13 1HG1 ILE 2 1HG1 ILE 2 -5.307 -0.003 6.483 14 2HG1 ILE 2 2HG1 ILE 2 -6.863 0.431 5.781 15 1HG2 ILE 2 1HG2 ILE 2 -5.821 3.314 7.884 16 2HG2 ILE 2 2HG2 ILE 2 -4.856 1.866 8.145 17 3HG2 ILE 2 3HG2 ILE 2 -6.605 1.739 7.974 18 1HD1 ILE 2 1HD1 ILE 2 -6.029 0.511 3.649 19 2HD1 ILE 2 2HD1 ILE 2 -5.086 -0.801 4.356 20 3HD1 ILE 2 3HD1 ILE 2 -4.376 0.805 4.190 21 HA PRO 3 HA PRO 3 -7.244 6.957 6.665 22 1HB PRO 3 1HB PRO 3 -8.691 6.903 8.888 23 2HB PRO 3 2HB PRO 3 -9.467 6.508 7.344 24 1HG PRO 3 1HG PRO 3 -8.282 4.629 9.388 25 2HG PRO 3 2HG PRO 3 -9.936 4.615 8.716 26 1HD PRO 3 1HD PRO 3 -8.012 3.038 7.687 27 2HD PRO 3 2HD PRO 3 -9.214 3.817 6.639 28 H VAL 4 H VAL 4 -6.176 8.237 8.339 29 HA VAL 4 HA VAL 4 -4.561 8.608 9.907 30 HB VAL 4 HB VAL 4 -5.959 6.145 10.902 31 1HG1 VAL 4 1HG1 VAL 4 -4.588 6.293 13.018 32 2HG1 VAL 4 2HG1 VAL 4 -3.423 7.254 12.104 33 3HG1 VAL 4 3HG1 VAL 4 -3.766 5.591 11.624 34 1HG2 VAL 4 1HG2 VAL 4 -6.631 8.671 11.111 35 2HG2 VAL 4 2HG2 VAL 4 -5.515 8.633 12.477 36 3HG2 VAL 4 3HG2 VAL 4 -6.903 7.546 12.440 37 H ARG 5 H ARG 5 -2.393 7.861 10.566 38 HA ARG 5 HA ARG 5 -0.389 6.783 10.249 39 1HB ARG 5 1HB ARG 5 -2.307 4.753 9.694 40 2HB ARG 5 2HB ARG 5 -1.078 4.667 8.440 41 1HG ARG 5 1HG ARG 5 -0.201 3.264 10.019 42 2HG ARG 5 2HG ARG 5 0.568 4.787 10.473 43 1HD ARG 5 1HD ARG 5 -0.336 4.654 12.495 44 2HD ARG 5 2HD ARG 5 -1.948 4.636 11.782 45 HE ARG 5 HE ARG 5 -0.997 2.065 11.539 46 1HH1 ARG 5 1HH1 ARG 5 -1.616 4.293 14.143 47 2HH1 ARG 5 2HH1 ARG 5 -1.977 3.050 15.294 48 1HH2 ARG 5 1HH2 ARG 5 -1.472 0.419 13.048 49 2HH2 ARG 5 2HH2 ARG 5 -1.895 0.847 14.672 50 H CYS 6 H CYS 6 0.942 5.833 8.208 51 HA CYS 6 HA CYS 6 0.427 7.735 6.034 52 1HB CYS 6 1HB CYS 6 2.745 7.851 5.597 53 2HB CYS 6 2HB CYS 6 2.569 7.983 7.341 54 H LEU 7 H LEU 7 -0.584 6.853 4.453 55 HA LEU 7 HA LEU 7 0.357 4.303 3.362 56 1HB LEU 7 1HB LEU 7 -2.472 5.201 3.856 57 2HB LEU 7 2HB LEU 7 -2.105 3.999 2.643 58 HG LEU 7 HG LEU 7 -2.514 2.505 4.251 59 1HD1 LEU 7 1HD1 LEU 7 -0.121 3.343 5.819 60 2HD1 LEU 7 2HD1 LEU 7 0.077 2.654 4.209 61 3HD1 LEU 7 3HD1 LEU 7 -0.726 1.728 5.471 62 1HD2 LEU 7 1HD2 LEU 7 -2.152 4.745 6.222 63 2HD2 LEU 7 2HD2 LEU 7 -2.650 3.110 6.655 64 3HD2 LEU 7 3HD2 LEU 7 -3.667 4.090 5.598 65 H SER 8 H SER 8 1.172 6.860 2.678 66 HA SER 8 HA SER 8 0.875 6.953 -0.082 67 1HB SER 8 1HB SER 8 -1.137 8.551 1.452 68 2HB SER 8 2HB SER 8 -0.464 9.243 -0.023 69 HG SER 8 HG SER 8 -1.297 7.581 -1.191 70 H CYS 9 H CYS 9 1.149 9.000 2.795 71 HA CYS 9 HA CYS 9 2.586 10.667 3.372 72 1HB CYS 9 1HB CYS 9 4.189 8.547 2.095 73 2HB CYS 9 2HB CYS 9 4.988 10.111 2.213 74 H GLY 10 H GLY 10 1.055 11.004 0.857 75 1HA GLY 10 1HA GLY 10 1.215 13.326 -0.089 76 2HA GLY 10 2HA GLY 10 2.869 12.897 -0.506 77 H LYS 11 H LYS 11 2.007 10.132 -1.186 78 HA LYS 11 HA LYS 11 0.814 10.759 -3.801 79 1HB LYS 11 1HB LYS 11 3.115 9.131 -2.988 80 2HB LYS 11 2HB LYS 11 2.055 8.346 -4.153 81 1HG LYS 11 1HG LYS 11 3.928 9.594 -5.180 82 2HG LYS 11 2HG LYS 11 2.336 10.156 -5.703 83 1HD LYS 11 1HD LYS 11 3.144 11.571 -3.350 84 2HD LYS 11 2HD LYS 11 4.416 11.675 -4.570 85 1HE LYS 11 1HE LYS 11 1.517 12.265 -5.134 86 2HE LYS 11 2HE LYS 11 2.685 13.498 -4.660 87 1HZ LYS 11 1HZ LYS 11 3.321 11.755 -6.933 88 2HZ LYS 11 2HZ LYS 11 3.783 13.357 -6.643 89 3HZ LYS 11 3HZ LYS 11 2.211 13.010 -7.161 90 HA PRO 12 HA PRO 12 -2.649 8.293 -2.401 91 1HB PRO 12 1HB PRO 12 -3.138 8.021 -5.314 92 2HB PRO 12 2HB PRO 12 -4.220 8.588 -4.039 93 1HG PRO 12 1HG PRO 12 -3.122 10.300 -5.767 94 2HG PRO 12 2HG PRO 12 -3.338 10.731 -4.060 95 1HD PRO 12 1HD PRO 12 -0.858 9.903 -5.510 96 2HD PRO 12 2HD PRO 12 -1.064 11.118 -4.232 97 H VAL 13 H VAL 13 -2.702 6.190 -1.917 98 HA VAL 13 HA VAL 13 -1.147 4.341 -3.590 99 HB VAL 13 HB VAL 13 -0.864 2.927 -1.688 100 1HG1 VAL 13 1HG1 VAL 13 0.157 4.549 -0.023 101 2HG1 VAL 13 2HG1 VAL 13 -0.437 5.838 -1.069 102 3HG1 VAL 13 3HG1 VAL 13 0.729 4.669 -1.688 103 1HG2 VAL 13 1HG2 VAL 13 -3.118 3.152 -0.739 104 2HG2 VAL 13 2HG2 VAL 13 -2.715 4.772 -0.177 105 3HG2 VAL 13 3HG2 VAL 13 -1.869 3.375 0.487 106 H SER 14 H SER 14 -4.315 5.069 -2.445 107 HA SER 14 HA SER 14 -5.569 2.588 -2.600 108 1HB SER 14 1HB SER 14 -7.037 5.015 -3.542 109 2HB SER 14 2HB SER 14 -7.560 3.744 -2.431 110 HG SER 14 HG SER 14 -6.370 6.118 -1.893 111 H ALA 15 H ALA 15 -5.133 5.045 -5.133 112 HA ALA 15 HA ALA 15 -6.489 3.693 -7.176 113 1HB ALA 15 1HB ALA 15 -4.182 5.250 -8.069 114 2HB ALA 15 2HB ALA 15 -5.240 6.110 -6.951 115 3HB ALA 15 3HB ALA 15 -5.895 5.439 -8.443 116 H TYR 16 H TYR 16 -3.218 3.385 -5.959 117 HA TYR 16 HA TYR 16 -2.427 1.613 -8.110 118 1HB TYR 16 1HB TYR 16 -1.085 2.950 -5.824 119 2HB TYR 16 2HB TYR 16 -0.382 1.442 -6.393 120 HD1 TYR 16 HD1 TYR 16 0.150 1.265 -8.905 121 HD2 TYR 16 HD2 TYR 16 -0.602 4.955 -6.924 122 HE1 TYR 16 HE1 TYR 16 1.280 2.467 -10.728 123 HE2 TYR 16 HE2 TYR 16 0.526 6.167 -8.742 124 HH TYR 16 HH TYR 16 2.309 5.606 -10.501 125 H PHE 17 H PHE 17 -3.650 1.412 -4.872 126 HA PHE 17 HA PHE 17 -2.803 -1.029 -3.968 127 1HB PHE 17 1HB PHE 17 -5.372 0.461 -3.688 128 2HB PHE 17 2HB PHE 17 -5.324 -1.207 -3.136 129 HD1 PHE 17 HD1 PHE 17 -5.932 -0.097 -0.928 130 HD2 PHE 17 HD2 PHE 17 -2.166 0.443 -2.841 131 HE1 PHE 17 HE1 PHE 17 -4.956 0.643 1.205 132 HE2 PHE 17 HE2 PHE 17 -1.188 1.183 -0.708 133 HZ PHE 17 HZ PHE 17 -2.585 1.283 1.316 134 H ASN 18 H ASN 18 -4.946 -0.362 -6.615 135 HA ASN 18 HA ASN 18 -6.129 -2.891 -6.928 136 1HB ASN 18 1HB ASN 18 -5.726 -0.492 -8.601 137 2HB ASN 18 2HB ASN 18 -5.912 -1.998 -9.495 138 1HD2 ASN 18 1HD2 ASN 18 -7.837 -3.172 -9.295 139 2HD2 ASN 18 2HD2 ASN 18 -9.297 -2.422 -8.735 140 H GLU 19 H GLU 19 -3.076 -1.536 -8.089 141 HA GLU 19 HA GLU 19 -2.279 -3.681 -9.710 142 1HB GLU 19 1HB GLU 19 -1.206 -1.269 -9.169 143 2HB GLU 19 2HB GLU 19 -0.187 -2.268 -8.143 144 1HG GLU 19 1HG GLU 19 0.963 -2.104 -10.166 145 2HG GLU 19 2HG GLU 19 0.220 -3.704 -10.193 146 H TYR 20 H TYR 20 -1.611 -2.988 -6.296 147 HA TYR 20 HA TYR 20 -0.132 -5.265 -5.677 148 1HB TYR 20 1HB TYR 20 -0.286 -3.481 -4.083 149 2HB TYR 20 2HB TYR 20 -2.038 -3.609 -4.014 150 HD1 TYR 20 HD1 TYR 20 1.102 -4.841 -2.719 151 HD2 TYR 20 HD2 TYR 20 -3.086 -5.566 -2.880 152 HE1 TYR 20 HE1 TYR 20 1.296 -6.353 -0.788 153 HE2 TYR 20 HE2 TYR 20 -2.905 -7.080 -0.950 154 HH TYR 20 HH TYR 20 -0.542 -7.138 1.124 155 H GLN 21 H GLN 21 -3.629 -4.720 -5.500 156 HA GLN 21 HA GLN 21 -4.397 -7.229 -4.560 157 1HB GLN 21 1HB GLN 21 -5.975 -5.413 -4.614 158 2HB GLN 21 2HB GLN 21 -5.837 -5.275 -6.361 159 1HG GLN 21 1HG GLN 21 -7.218 -7.023 -6.751 160 2HG GLN 21 2HG GLN 21 -6.722 -7.884 -5.294 161 1HE2 GLN 21 1HE2 GLN 21 -7.568 -7.147 -3.259 162 2HE2 GLN 21 2HE2 GLN 21 -9.114 -6.378 -3.198 163 H ARG 22 H ARG 22 -4.342 -6.079 -7.936 164 HA ARG 22 HA ARG 22 -4.990 -8.516 -9.133 165 1HB ARG 22 1HB ARG 22 -5.090 -6.494 -10.418 166 2HB ARG 22 2HB ARG 22 -3.381 -6.173 -10.154 167 1HG ARG 22 1HG ARG 22 -2.707 -7.767 -11.677 168 2HG ARG 22 2HG ARG 22 -4.219 -8.670 -11.555 169 1HD ARG 22 1HD ARG 22 -5.248 -7.414 -13.110 170 2HD ARG 22 2HD ARG 22 -4.507 -5.921 -12.536 171 HE ARG 22 HE ARG 22 -2.811 -6.200 -14.063 172 1HH1 ARG 22 1HH1 ARG 22 -4.700 -9.122 -13.858 173 2HH1 ARG 22 2HH1 ARG 22 -3.954 -9.853 -15.238 174 1HH2 ARG 22 1HH2 ARG 22 -1.824 -7.156 -15.881 175 2HH2 ARG 22 2HH2 ARG 22 -2.319 -8.737 -16.388 176 H ARG 23 H ARG 23 -1.776 -7.069 -8.597 177 HA ARG 23 HA ARG 23 -0.276 -9.194 -9.616 178 1HB ARG 23 1HB ARG 23 0.235 -6.851 -7.911 179 2HB ARG 23 2HB ARG 23 1.350 -8.188 -7.662 180 1HG ARG 23 1HG ARG 23 2.024 -6.429 -9.349 181 2HG ARG 23 2HG ARG 23 2.114 -8.110 -9.878 182 1HD ARG 23 1HD ARG 23 0.497 -7.844 -11.420 183 2HD ARG 23 2HD ARG 23 -0.457 -6.781 -10.385 184 HE ARG 23 HE ARG 23 1.612 -5.210 -11.071 185 1HH1 ARG 23 1HH1 ARG 23 -0.538 -7.211 -12.942 186 2HH1 ARG 23 2HH1 ARG 23 -0.452 -6.209 -14.353 187 1HH2 ARG 23 1HH2 ARG 23 1.732 -3.884 -12.921 188 2HH2 ARG 23 2HH2 ARG 23 0.839 -4.316 -14.340 189 H VAL 24 H VAL 24 -0.665 -8.427 -6.145 190 HA VAL 24 HA VAL 24 0.300 -10.759 -5.080 191 HB VAL 24 HB VAL 24 -2.056 -9.189 -4.019 192 1HG1 VAL 24 1HG1 VAL 24 -0.517 -11.475 -2.977 193 2HG1 VAL 24 2HG1 VAL 24 -2.159 -10.947 -2.611 194 3HG1 VAL 24 3HG1 VAL 24 -0.786 -10.154 -1.840 195 1HG2 VAL 24 1HG2 VAL 24 0.307 -8.647 -2.586 196 2HG2 VAL 24 2HG2 VAL 24 -0.613 -7.553 -3.617 197 3HG2 VAL 24 3HG2 VAL 24 0.704 -8.506 -4.298 198 H ALA 25 H ALA 25 -2.796 -10.213 -6.598 199 HA ALA 25 HA ALA 25 -4.130 -12.526 -5.688 200 1HB ALA 25 1HB ALA 25 -5.621 -11.085 -6.621 201 2HB ALA 25 2HB ALA 25 -5.352 -12.135 -8.012 202 3HB ALA 25 3HB ALA 25 -4.513 -10.588 -7.899 203 H ASP 26 H ASP 26 -2.605 -11.910 -8.857 204 HA ASP 26 HA ASP 26 -2.760 -14.570 -9.752 205 1HB ASP 26 1HB ASP 26 -1.027 -12.237 -10.557 206 2HB ASP 26 2HB ASP 26 -0.891 -13.807 -11.344 207 H GLY 27 H GLY 27 -0.542 -12.973 -7.630 208 1HA GLY 27 1HA GLY 27 0.721 -14.419 -6.121 209 2HA GLY 27 2HA GLY 27 1.038 -15.465 -7.497 210 H GLU 28 H GLU 28 1.215 -11.973 -7.682 211 HA GLU 28 HA GLU 28 4.023 -12.200 -8.388 212 1HB GLU 28 1HB GLU 28 2.168 -9.818 -8.533 213 2HB GLU 28 2HB GLU 28 3.795 -9.899 -9.193 214 1HG GLU 28 1HG GLU 28 2.524 -12.078 -10.314 215 2HG GLU 28 2HG GLU 28 1.292 -10.817 -10.312 216 H ASP 29 H ASP 29 5.680 -11.112 -7.365 217 HA ASP 29 HA ASP 29 5.580 -10.825 -4.603 218 1HB ASP 29 1HB ASP 29 7.710 -9.391 -5.000 219 2HB ASP 29 2HB ASP 29 7.729 -11.085 -5.482 220 HA PRO 30 HA PRO 30 3.200 -6.986 -4.469 221 1HB PRO 30 1HB PRO 30 3.883 -7.135 -1.598 222 2HB PRO 30 2HB PRO 30 2.306 -7.009 -2.377 223 1HG PRO 30 1HG PRO 30 3.119 -9.297 -1.247 224 2HG PRO 30 2HG PRO 30 2.134 -9.285 -2.721 225 1HD PRO 30 1HD PRO 30 5.067 -9.763 -2.403 226 2HD PRO 30 2HD PRO 30 3.907 -10.542 -3.500 227 H LYS 31 H LYS 31 6.195 -7.464 -2.604 228 HA LYS 31 HA LYS 31 6.935 -4.877 -2.103 229 1HB LYS 31 1HB LYS 31 8.227 -7.407 -2.162 230 2HB LYS 31 2HB LYS 31 9.264 -6.256 -2.988 231 1HG LYS 31 1HG LYS 31 9.526 -4.934 -1.101 232 2HG LYS 31 2HG LYS 31 8.088 -5.596 -0.319 233 1HD LYS 31 1HD LYS 31 10.368 -7.418 -0.936 234 2HD LYS 31 2HD LYS 31 10.498 -6.322 0.441 235 1HE LYS 31 1HE LYS 31 9.097 -7.545 1.674 236 2HE LYS 31 2HE LYS 31 7.936 -7.686 0.353 237 1HZ LYS 31 1HZ LYS 31 8.992 -9.811 1.193 238 2HZ LYS 31 2HZ LYS 31 10.413 -9.300 0.431 239 3HZ LYS 31 3HZ LYS 31 9.013 -9.568 -0.480 240 H ASP 32 H ASP 32 7.393 -6.697 -5.106 241 HA ASP 32 HA ASP 32 8.754 -4.667 -6.528 242 1HB ASP 32 1HB ASP 32 7.882 -7.282 -7.054 243 2HB ASP 32 2HB ASP 32 7.044 -6.272 -8.229 244 H VAL 33 H VAL 33 5.349 -5.494 -6.124 245 HA VAL 33 HA VAL 33 4.237 -3.638 -7.895 246 HB VAL 33 HB VAL 33 3.067 -4.566 -5.267 247 1HG1 VAL 33 1HG1 VAL 33 2.111 -2.535 -6.674 248 2HG1 VAL 33 2HG1 VAL 33 1.047 -3.714 -5.906 249 3HG1 VAL 33 3HG1 VAL 33 1.411 -3.843 -7.627 250 1HG2 VAL 33 1HG2 VAL 33 3.244 -5.833 -7.958 251 2HG2 VAL 33 2HG2 VAL 33 1.804 -6.102 -6.977 252 3HG2 VAL 33 3HG2 VAL 33 3.391 -6.559 -6.357 253 H LEU 34 H LEU 34 5.083 -3.351 -4.457 254 HA LEU 34 HA LEU 34 4.146 -0.843 -3.879 255 1HB LEU 34 1HB LEU 34 6.589 -2.326 -3.005 256 2HB LEU 34 2HB LEU 34 6.355 -0.671 -2.490 257 HG LEU 34 HG LEU 34 5.580 -2.479 -0.886 258 1HD1 LEU 34 1HD1 LEU 34 4.361 -0.861 0.026 259 2HD1 LEU 34 2HD1 LEU 34 3.155 -0.967 -1.256 260 3HD1 LEU 34 3HD1 LEU 34 4.577 0.053 -1.468 261 1HD2 LEU 34 1HD2 LEU 34 3.209 -3.236 -1.395 262 2HD2 LEU 34 2HD2 LEU 34 4.511 -4.036 -2.275 263 3HD2 LEU 34 3HD2 LEU 34 3.544 -2.789 -3.066 264 H ASP 35 H ASP 35 7.156 -1.691 -5.525 265 HA ASP 35 HA ASP 35 8.209 0.877 -5.814 266 1HB ASP 35 1HB ASP 35 9.243 -1.435 -6.402 267 2HB ASP 35 2HB ASP 35 8.466 -1.209 -7.966 268 H ASP 36 H ASP 36 5.813 -0.899 -7.655 269 HA ASP 36 HA ASP 36 5.525 1.128 -9.683 270 1HB ASP 36 1HB ASP 36 4.465 -1.550 -9.152 271 2HB ASP 36 2HB ASP 36 3.258 -0.451 -9.811 272 H LEU 37 H LEU 37 3.771 0.088 -6.801 273 HA LEU 37 HA LEU 37 1.483 1.609 -6.930 274 1HB LEU 37 1HB LEU 37 3.204 0.632 -4.707 275 2HB LEU 37 2HB LEU 37 1.962 1.801 -4.322 276 HG LEU 37 HG LEU 37 0.928 -0.388 -5.934 277 1HD1 LEU 37 1HD1 LEU 37 0.988 -2.016 -4.030 278 2HD1 LEU 37 2HD1 LEU 37 2.221 -0.998 -3.286 279 3HD1 LEU 37 3HD1 LEU 37 2.532 -1.764 -4.843 280 1HD2 LEU 37 1HD2 LEU 37 -0.898 -0.165 -4.557 281 2HD2 LEU 37 2HD2 LEU 37 -0.196 1.450 -4.456 282 3HD2 LEU 37 3HD2 LEU 37 0.075 0.288 -3.157 283 H GLY 38 H GLY 38 4.743 2.589 -6.074 284 1HA GLY 38 1HA GLY 38 5.711 4.652 -5.900 285 2HA GLY 38 2HA GLY 38 4.319 5.294 -6.759 286 H LEU 39 H LEU 39 5.103 3.972 -3.543 287 HA LEU 39 HA LEU 39 3.272 5.918 -2.360 288 1HB LEU 39 1HB LEU 39 4.672 3.656 -0.954 289 2HB LEU 39 2HB LEU 39 3.254 4.539 -0.425 290 HG LEU 39 HG LEU 39 2.250 3.562 -2.675 291 1HD1 LEU 39 1HD1 LEU 39 3.835 2.281 -3.659 292 2HD1 LEU 39 2HD1 LEU 39 3.177 1.063 -2.564 293 3HD1 LEU 39 3HD1 LEU 39 4.654 1.930 -2.138 294 1HD2 LEU 39 1HD2 LEU 39 0.966 2.319 -1.325 295 2HD2 LEU 39 2HD2 LEU 39 1.874 3.117 -0.039 296 3HD2 LEU 39 3HD2 LEU 39 2.349 1.510 -0.587 297 H LYS 40 H LYS 40 5.962 6.584 -3.391 298 HA LYS 40 HA LYS 40 7.716 7.915 -2.852 299 1HB LYS 40 1HB LYS 40 5.516 8.738 -1.234 300 2HB LYS 40 2HB LYS 40 6.986 8.891 -0.281 301 1HG LYS 40 1HG LYS 40 6.850 10.950 -1.285 302 2HG LYS 40 2HG LYS 40 7.927 10.082 -2.382 303 1HD LYS 40 1HD LYS 40 5.284 9.567 -3.235 304 2HD LYS 40 2HD LYS 40 5.403 11.303 -2.932 305 1HE LYS 40 1HE LYS 40 6.332 11.467 -4.950 306 2HE LYS 40 2HE LYS 40 7.758 10.705 -4.246 307 1HZ LYS 40 1HZ LYS 40 6.210 9.729 -6.298 308 2HZ LYS 40 2HZ LYS 40 5.815 8.764 -4.967 309 3HZ LYS 40 3HZ LYS 40 7.426 8.900 -5.464 310 H ARG 41 H ARG 41 6.884 7.135 0.508 311 HA ARG 41 HA ARG 41 9.611 6.108 0.831 312 1HB ARG 41 1HB ARG 41 7.631 7.382 2.683 313 2HB ARG 41 2HB ARG 41 8.904 6.365 3.345 314 1HG ARG 41 1HG ARG 41 9.757 8.430 1.419 315 2HG ARG 41 2HG ARG 41 9.157 9.004 2.976 316 1HD ARG 41 1HD ARG 41 10.737 7.351 4.050 317 2HD ARG 41 2HD ARG 41 11.446 7.125 2.451 318 HE ARG 41 HE ARG 41 12.541 9.104 2.719 319 1HH1 ARG 41 1HH1 ARG 41 9.843 9.019 4.919 320 2HH1 ARG 41 2HH1 ARG 41 10.268 10.505 5.702 321 1HH2 ARG 41 1HH2 ARG 41 13.111 11.062 3.742 322 2HH2 ARG 41 2HH2 ARG 41 12.126 11.667 5.032 323 H TYR 42 H TYR 42 9.816 4.455 2.656 324 HA TYR 42 HA TYR 42 8.051 2.230 2.015 325 1HB TYR 42 1HB TYR 42 10.637 2.120 2.104 326 2HB TYR 42 2HB TYR 42 10.432 2.090 3.852 327 HD1 TYR 42 HD1 TYR 42 10.581 0.132 0.908 328 HD2 TYR 42 HD2 TYR 42 8.852 0.252 4.793 329 HE1 TYR 42 HE1 TYR 42 10.224 -2.299 0.818 330 HE2 TYR 42 HE2 TYR 42 8.490 -2.178 4.714 331 HH TYR 42 HH TYR 42 9.298 -4.125 3.581 332 H CYS 43 H CYS 43 8.595 4.521 4.518 333 HA CYS 43 HA CYS 43 7.825 3.279 6.829 334 1HB CYS 43 1HB CYS 43 6.809 5.494 7.472 335 2HB CYS 43 2HB CYS 43 8.460 5.586 6.865 336 H CYS 44 H CYS 44 5.901 4.028 4.051 337 HA CYS 44 HA CYS 44 3.371 3.426 5.364 338 1HB CYS 44 1HB CYS 44 3.521 3.634 2.403 339 2HB CYS 44 2HB CYS 44 2.343 4.326 3.519 340 H ARG 45 H ARG 45 5.294 2.125 2.675 341 HA ARG 45 HA ARG 45 3.876 -0.085 2.000 342 1HB ARG 45 1HB ARG 45 6.874 -0.137 2.312 343 2HB ARG 45 2HB ARG 45 5.901 -1.078 1.192 344 1HG ARG 45 1HG ARG 45 5.260 1.030 0.057 345 2HG ARG 45 2HG ARG 45 6.378 1.891 1.113 346 1HD ARG 45 1HD ARG 45 8.234 0.584 0.266 347 2HD ARG 45 2HD ARG 45 7.137 -0.359 -0.740 348 HE ARG 45 HE ARG 45 6.712 2.207 -1.533 349 1HH1 ARG 45 1HH1 ARG 45 9.529 0.182 -1.238 350 2HH1 ARG 45 2HH1 ARG 45 10.380 0.953 -2.536 351 1HH2 ARG 45 1HH2 ARG 45 7.821 3.228 -3.243 352 2HH2 ARG 45 2HH2 ARG 45 9.407 2.686 -3.676 353 H ARG 46 H ARG 46 6.448 -0.098 4.482 354 HA ARG 46 HA ARG 46 6.474 -2.647 5.309 355 1HB ARG 46 1HB ARG 46 7.067 -1.911 7.537 356 2HB ARG 46 2HB ARG 46 7.800 -0.843 6.346 357 1HG ARG 46 1HG ARG 46 5.812 0.693 6.742 358 2HG ARG 46 2HG ARG 46 5.470 -0.307 8.156 359 1HD ARG 46 1HD ARG 46 8.005 0.118 8.675 360 2HD ARG 46 2HD ARG 46 7.768 1.517 7.630 361 HE ARG 46 HE ARG 46 5.701 1.528 9.479 362 1HH1 ARG 46 1HH1 ARG 46 9.174 1.777 9.479 363 2HH1 ARG 46 2HH1 ARG 46 9.233 2.765 10.900 364 1HH2 ARG 46 1HH2 ARG 46 5.766 2.830 11.351 365 2HH2 ARG 46 2HH2 ARG 46 7.296 3.364 11.964 366 H MET 47 H MET 47 3.942 -0.334 6.127 367 HA MET 47 HA MET 47 2.545 -2.244 7.777 368 1HB MET 47 1HB MET 47 1.534 0.398 6.727 369 2HB MET 47 2HB MET 47 0.901 -0.515 8.088 370 1HG MET 47 1HG MET 47 3.039 -0.151 9.271 371 2HG MET 47 2HG MET 47 3.572 0.859 7.928 372 1HE MET 47 1HE MET 47 -0.047 1.810 7.877 373 2HE MET 47 2HE MET 47 1.342 2.416 6.972 374 3HE MET 47 3HE MET 47 0.489 3.478 8.094 375 H LEU 48 H LEU 48 2.295 -0.899 4.547 376 HA LEU 48 HA LEU 48 -0.210 -2.064 3.918 377 1HB LEU 48 1HB LEU 48 1.919 -1.261 1.944 378 2HB LEU 48 2HB LEU 48 0.187 -1.340 1.679 379 HG LEU 48 HG LEU 48 1.257 0.539 3.738 380 1HD1 LEU 48 1HD1 LEU 48 2.172 0.605 1.113 381 2HD1 LEU 48 2HD1 LEU 48 2.251 1.908 2.299 382 3HD1 LEU 48 3HD1 LEU 48 0.890 1.815 1.184 383 1HD2 LEU 48 1HD2 LEU 48 -1.192 0.209 2.110 384 2HD2 LEU 48 2HD2 LEU 48 -0.707 1.844 2.566 385 3HD2 LEU 48 3HD2 LEU 48 -1.007 0.633 3.813 386 H ILE 49 H ILE 49 2.982 -2.851 2.494 387 HA ILE 49 HA ILE 49 2.322 -5.166 1.211 388 HB ILE 49 HB ILE 49 4.709 -5.951 1.808 389 1HG1 ILE 49 1HG1 ILE 49 5.440 -3.200 2.465 390 2HG1 ILE 49 2HG1 ILE 49 4.463 -3.963 3.718 391 1HG2 ILE 49 1HG2 ILE 49 5.675 -4.209 0.288 392 2HG2 ILE 49 2HG2 ILE 49 4.120 -3.379 0.360 393 3HG2 ILE 49 3HG2 ILE 49 4.223 -5.003 -0.320 394 1HD1 ILE 49 1HD1 ILE 49 7.079 -4.945 2.612 395 2HD1 ILE 49 2HD1 ILE 49 6.071 -5.847 3.744 396 3HD1 ILE 49 3HD1 ILE 49 6.769 -4.301 4.225 397 H SER 50 H SER 50 2.824 -4.726 4.639 398 HA SER 50 HA SER 50 2.684 -7.571 5.182 399 1HB SER 50 1HB SER 50 2.739 -5.264 7.141 400 2HB SER 50 2HB SER 50 3.054 -6.963 7.498 401 HG SER 50 HG SER 50 4.775 -5.112 6.700 402 H HIS 51 H HIS 51 0.802 -4.710 6.208 403 HA HIS 51 HA HIS 51 -1.343 -6.348 7.178 404 1HB HIS 51 1HB HIS 51 -0.569 -4.010 8.011 405 2HB HIS 51 2HB HIS 51 -1.573 -3.390 6.706 406 HD2 HIS 51 HD2 HIS 51 -4.353 -4.334 6.920 407 HE1 HIS 51 HE1 HIS 51 -4.009 -4.564 11.133 408 HE2 HIS 51 HE2 HIS 51 -5.621 -4.527 9.175 409 H VAL 52 H VAL 52 -1.116 -3.963 4.531 410 HA VAL 52 HA VAL 52 -3.593 -4.061 3.482 411 HB VAL 52 HB VAL 52 -1.184 -3.066 2.614 412 1HG1 VAL 52 1HG1 VAL 52 -2.173 -4.911 0.449 413 2HG1 VAL 52 2HG1 VAL 52 -0.624 -5.012 1.287 414 3HG1 VAL 52 3HG1 VAL 52 -0.973 -3.635 0.240 415 1HG2 VAL 52 1HG2 VAL 52 -3.834 -2.516 2.324 416 2HG2 VAL 52 2HG2 VAL 52 -3.328 -2.793 0.657 417 3HG2 VAL 52 3HG2 VAL 52 -2.512 -1.572 1.635 418 H GLU 53 H GLU 53 -4.875 -5.729 3.198 419 HA GLU 53 HA GLU 53 -3.779 -8.191 2.019 420 1HB GLU 53 1HB GLU 53 -5.599 -7.691 4.218 421 2HB GLU 53 2HB GLU 53 -6.318 -8.769 3.030 422 1HG GLU 53 1HG GLU 53 -4.089 -10.050 3.179 423 2HG GLU 53 2HG GLU 53 -3.856 -9.146 4.673 424 H THR 54 H THR 54 -6.461 -5.906 1.879 425 HA THR 54 HA THR 54 -8.056 -5.498 0.301 426 HB THR 54 HB THR 54 -7.371 -5.469 -1.984 427 HG1 THR 54 HG1 THR 54 -5.367 -6.587 -2.565 428 1HG2 THR 54 1HG2 THR 54 -5.364 -4.210 -1.887 429 2HG2 THR 54 2HG2 THR 54 -4.828 -5.044 -0.427 430 3HG2 THR 54 3HG2 THR 54 -6.194 -3.931 -0.356 431 H TRP 55 H TRP 55 -9.409 -7.177 1.208 432 HA TRP 55 HA TRP 55 -9.407 -9.779 -0.057 433 1HB TRP 55 1HB TRP 55 -9.954 -9.396 2.378 434 2HB TRP 55 2HB TRP 55 -11.457 -8.644 1.854 435 HD1 TRP 55 HD1 TRP 55 -13.415 -10.260 2.059 436 HE1 TRP 55 HE1 TRP 55 -13.764 -12.796 1.782 437 HE3 TRP 55 HE3 TRP 55 -8.635 -11.611 0.846 438 HZ2 TRP 55 HZ2 TRP 55 -12.217 -15.068 1.134 439 HZ3 TRP 55 HZ3 TRP 55 -8.153 -13.983 0.411 440 HH2 TRP 55 HH2 TRP 55 -9.908 -15.676 0.553 Start of MODEL 4 1 H MET 1 H MET 1 -8.105 4.530 0.556 2 HA MET 1 HA MET 1 -6.360 3.261 2.293 3 1HB MET 1 1HB MET 1 -4.882 5.183 1.976 4 2HB MET 1 2HB MET 1 -5.627 4.711 0.458 5 1HG MET 1 1HG MET 1 -5.867 6.968 0.337 6 2HG MET 1 2HG MET 1 -7.389 6.536 1.113 7 1HE MET 1 1HE MET 1 -3.719 7.227 1.808 8 2HE MET 1 2HE MET 1 -4.002 6.451 3.369 9 3HE MET 1 3HE MET 1 -3.700 8.187 3.286 10 H ILE 2 H ILE 2 -5.151 4.523 4.115 11 HA ILE 2 HA ILE 2 -7.212 5.386 6.006 12 HB ILE 2 HB ILE 2 -4.408 4.668 6.769 13 1HG1 ILE 2 1HG1 ILE 2 -6.745 2.760 6.579 14 2HG1 ILE 2 2HG1 ILE 2 -5.413 2.819 5.426 15 1HG2 ILE 2 1HG2 ILE 2 -5.367 4.175 8.916 16 2HG2 ILE 2 2HG2 ILE 2 -6.990 4.487 8.297 17 3HG2 ILE 2 3HG2 ILE 2 -5.822 5.805 8.420 18 1HD1 ILE 2 1HD1 ILE 2 -4.919 1.057 6.886 19 2HD1 ILE 2 2HD1 ILE 2 -5.344 2.010 8.309 20 3HD1 ILE 2 3HD1 ILE 2 -3.885 2.394 7.393 21 HA PRO 3 HA PRO 3 -5.478 9.509 5.929 22 1HB PRO 3 1HB PRO 3 -6.873 10.586 7.918 23 2HB PRO 3 2HB PRO 3 -7.707 10.063 6.445 24 1HG PRO 3 1HG PRO 3 -7.371 8.585 9.049 25 2HG PRO 3 2HG PRO 3 -8.874 8.902 8.146 26 1HD PRO 3 1HD PRO 3 -7.536 6.559 7.922 27 2HD PRO 3 2HD PRO 3 -8.400 7.280 6.549 28 H VAL 4 H VAL 4 -4.425 11.014 7.581 29 HA VAL 4 HA VAL 4 -2.888 11.396 9.221 30 HB VAL 4 HB VAL 4 -4.666 9.303 10.376 31 1HG1 VAL 4 1HG1 VAL 4 -1.929 9.861 11.447 32 2HG1 VAL 4 2HG1 VAL 4 -2.825 8.340 11.384 33 3HG1 VAL 4 3HG1 VAL 4 -3.262 9.577 12.567 34 1HG2 VAL 4 1HG2 VAL 4 -5.057 11.004 12.050 35 2HG2 VAL 4 2HG2 VAL 4 -5.208 11.692 10.433 36 3HG2 VAL 4 3HG2 VAL 4 -3.755 11.992 11.386 37 H ARG 5 H ARG 5 -3.033 7.875 9.521 38 HA ARG 5 HA ARG 5 -0.297 7.446 9.656 39 1HB ARG 5 1HB ARG 5 -2.572 5.905 9.835 40 2HB ARG 5 2HB ARG 5 -1.801 5.274 8.384 41 1HG ARG 5 1HG ARG 5 -1.053 3.970 10.205 42 2HG ARG 5 2HG ARG 5 0.294 5.004 9.733 43 1HD ARG 5 1HD ARG 5 0.427 5.628 11.864 44 2HD ARG 5 2HD ARG 5 -1.086 6.498 11.616 45 HE ARG 5 HE ARG 5 -2.096 4.978 12.972 46 1HH1 ARG 5 1HH1 ARG 5 0.783 3.528 11.655 47 2HH1 ARG 5 2HH1 ARG 5 0.621 2.065 12.570 48 1HH2 ARG 5 1HH2 ARG 5 -2.321 3.056 14.181 49 2HH2 ARG 5 2HH2 ARG 5 -1.144 1.797 14.005 50 H CYS 6 H CYS 6 0.724 5.783 8.003 51 HA CYS 6 HA CYS 6 1.373 7.187 5.668 52 1HB CYS 6 1HB CYS 6 1.692 4.264 6.366 53 2HB CYS 6 2HB CYS 6 2.437 5.027 4.969 54 H LEU 7 H LEU 7 1.237 5.347 3.613 55 HA LEU 7 HA LEU 7 -0.152 4.245 2.124 56 1HB LEU 7 1HB LEU 7 -2.453 5.349 3.717 57 2HB LEU 7 2HB LEU 7 -2.592 4.323 2.326 58 HG LEU 7 HG LEU 7 -2.418 2.477 3.559 59 1HD1 LEU 7 1HD1 LEU 7 0.117 3.019 3.743 60 2HD1 LEU 7 2HD1 LEU 7 -0.601 1.847 4.845 61 3HD1 LEU 7 3HD1 LEU 7 -0.286 3.491 5.395 62 1HD2 LEU 7 1HD2 LEU 7 -3.475 2.711 5.495 63 2HD2 LEU 7 2HD2 LEU 7 -3.480 4.433 5.101 64 3HD2 LEU 7 3HD2 LEU 7 -2.232 3.770 6.161 65 H SER 8 H SER 8 1.003 6.906 2.216 66 HA SER 8 HA SER 8 0.185 7.912 -0.213 67 1HB SER 8 1HB SER 8 -1.379 8.968 2.101 68 2HB SER 8 2HB SER 8 -0.901 10.105 0.841 69 HG SER 8 HG SER 8 -2.883 9.246 0.292 70 H CYS 9 H CYS 9 0.678 9.700 2.820 71 HA CYS 9 HA CYS 9 2.282 11.181 3.463 72 1HB CYS 9 1HB CYS 9 3.905 9.043 2.087 73 2HB CYS 9 2HB CYS 9 4.649 10.383 2.953 74 H GLY 10 H GLY 10 1.078 11.481 0.676 75 1HA GLY 10 1HA GLY 10 2.006 13.850 -0.124 76 2HA GLY 10 2HA GLY 10 3.234 12.779 -0.781 77 H LYS 11 H LYS 11 1.340 10.620 -1.325 78 HA LYS 11 HA LYS 11 -0.388 11.822 -3.360 79 1HB LYS 11 1HB LYS 11 2.083 10.483 -3.911 80 2HB LYS 11 2HB LYS 11 0.755 9.521 -4.550 81 1HG LYS 11 1HG LYS 11 1.381 10.937 -6.303 82 2HG LYS 11 2HG LYS 11 -0.073 11.674 -5.626 83 1HD LYS 11 1HD LYS 11 1.076 13.423 -4.695 84 2HD LYS 11 2HD LYS 11 2.575 12.503 -4.583 85 1HE LYS 11 1HE LYS 11 1.827 12.753 -7.329 86 2HE LYS 11 2HE LYS 11 1.808 14.348 -6.576 87 1HZ LYS 11 1HZ LYS 11 4.068 13.926 -5.772 88 2HZ LYS 11 2HZ LYS 11 3.980 13.876 -7.461 89 3HZ LYS 11 3HZ LYS 11 4.081 12.438 -6.577 90 HA PRO 12 HA PRO 12 -3.118 8.479 -2.451 91 1HB PRO 12 1HB PRO 12 -4.263 7.868 -4.782 92 2HB PRO 12 2HB PRO 12 -4.449 9.476 -4.071 93 1HG PRO 12 1HG PRO 12 -2.616 8.568 -6.262 94 2HG PRO 12 2HG PRO 12 -3.591 10.045 -6.164 95 1HD PRO 12 1HD PRO 12 -0.904 9.922 -5.565 96 2HD PRO 12 2HD PRO 12 -2.019 11.139 -4.913 97 H VAL 13 H VAL 13 -3.134 6.333 -2.099 98 HA VAL 13 HA VAL 13 -1.418 4.642 -3.799 99 HB VAL 13 HB VAL 13 -0.995 3.217 -1.902 100 1HG1 VAL 13 1HG1 VAL 13 0.638 4.838 -1.967 101 2HG1 VAL 13 2HG1 VAL 13 0.017 5.042 -0.329 102 3HG1 VAL 13 3HG1 VAL 13 -0.492 6.144 -1.610 103 1HG2 VAL 13 1HG2 VAL 13 -2.869 5.053 -0.417 104 2HG2 VAL 13 2HG2 VAL 13 -1.797 3.894 0.370 105 3HG2 VAL 13 3HG2 VAL 13 -3.068 3.326 -0.714 106 H SER 14 H SER 14 -4.610 5.203 -2.739 107 HA SER 14 HA SER 14 -5.657 2.595 -2.760 108 1HB SER 14 1HB SER 14 -7.323 4.896 -3.698 109 2HB SER 14 2HB SER 14 -7.736 3.591 -2.581 110 HG SER 14 HG SER 14 -6.629 6.045 -2.080 111 H ALA 15 H ALA 15 -5.334 5.025 -5.326 112 HA ALA 15 HA ALA 15 -6.643 3.576 -7.353 113 1HB ALA 15 1HB ALA 15 -5.433 5.051 -8.916 114 2HB ALA 15 2HB ALA 15 -4.453 5.639 -7.572 115 3HB ALA 15 3HB ALA 15 -6.190 5.939 -7.595 116 H TYR 16 H TYR 16 -3.403 3.440 -6.064 117 HA TYR 16 HA TYR 16 -2.459 1.685 -8.167 118 1HB TYR 16 1HB TYR 16 -1.263 3.099 -5.842 119 2HB TYR 16 2HB TYR 16 -0.469 1.626 -6.380 120 HD1 TYR 16 HD1 TYR 16 -0.814 5.120 -6.915 121 HD2 TYR 16 HD2 TYR 16 0.134 1.470 -8.888 122 HE1 TYR 16 HE1 TYR 16 0.313 6.385 -8.696 123 HE2 TYR 16 HE2 TYR 16 1.266 2.726 -10.676 124 HH TYR 16 HH TYR 16 2.118 5.951 -10.404 125 H PHE 17 H PHE 17 -3.790 1.470 -4.972 126 HA PHE 17 HA PHE 17 -2.863 -0.928 -4.017 127 1HB PHE 17 1HB PHE 17 -5.456 0.509 -3.782 128 2HB PHE 17 2HB PHE 17 -5.423 -1.170 -3.264 129 HD1 PHE 17 HD1 PHE 17 -6.047 -0.267 -1.025 130 HD2 PHE 17 HD2 PHE 17 -2.323 0.630 -2.881 131 HE1 PHE 17 HE1 PHE 17 -5.131 0.419 1.151 132 HE2 PHE 17 HE2 PHE 17 -1.401 1.317 -0.706 133 HZ PHE 17 HZ PHE 17 -2.805 1.212 1.314 134 H ASN 18 H ASN 18 -5.169 -0.379 -6.603 135 HA ASN 18 HA ASN 18 -6.177 -2.966 -6.911 136 1HB ASN 18 1HB ASN 18 -5.711 -0.699 -8.834 137 2HB ASN 18 2HB ASN 18 -6.320 -2.250 -9.404 138 1HD2 ASN 18 1HD2 ASN 18 -8.384 -2.888 -8.883 139 2HD2 ASN 18 2HD2 ASN 18 -9.547 -1.809 -8.184 140 H GLU 19 H GLU 19 -3.141 -1.523 -7.859 141 HA GLU 19 HA GLU 19 -2.240 -3.598 -9.567 142 1HB GLU 19 1HB GLU 19 -1.334 -1.130 -9.041 143 2HB GLU 19 2HB GLU 19 -0.273 -2.033 -7.971 144 1HG GLU 19 1HG GLU 19 -0.508 -2.203 -10.951 145 2HG GLU 19 2HG GLU 19 0.907 -1.809 -9.975 146 H TYR 20 H TYR 20 -1.564 -2.848 -6.155 147 HA TYR 20 HA TYR 20 0.001 -5.074 -5.545 148 1HB TYR 20 1HB TYR 20 -0.172 -3.286 -3.960 149 2HB TYR 20 2HB TYR 20 -1.918 -3.471 -3.846 150 HD1 TYR 20 HD1 TYR 20 -2.839 -5.575 -2.780 151 HD2 TYR 20 HD2 TYR 20 1.265 -4.492 -2.544 152 HE1 TYR 20 HE1 TYR 20 -2.557 -7.089 -0.864 153 HE2 TYR 20 HE2 TYR 20 1.561 -6.002 -0.625 154 HH TYR 20 HH TYR 20 -0.807 -7.140 1.199 155 H GLN 21 H GLN 21 -3.506 -4.636 -5.351 156 HA GLN 21 HA GLN 21 -4.123 -7.220 -4.412 157 1HB GLN 21 1HB GLN 21 -5.761 -5.464 -4.236 158 2HB GLN 21 2HB GLN 21 -5.757 -5.215 -5.976 159 1HG GLN 21 1HG GLN 21 -6.909 -7.200 -6.382 160 2HG GLN 21 2HG GLN 21 -6.593 -7.822 -4.763 161 1HE2 GLN 21 1HE2 GLN 21 -7.361 -5.982 -3.075 162 2HE2 GLN 21 2HE2 GLN 21 -9.020 -5.547 -3.282 163 H ARG 22 H ARG 22 -3.792 -5.881 -7.657 164 HA ARG 22 HA ARG 22 -4.732 -8.120 -9.083 165 1HB ARG 22 1HB ARG 22 -4.517 -5.981 -10.175 166 2HB ARG 22 2HB ARG 22 -2.788 -5.942 -9.860 167 1HG ARG 22 1HG ARG 22 -2.396 -7.728 -11.397 168 2HG ARG 22 2HG ARG 22 -4.129 -7.999 -11.599 169 1HD ARG 22 1HD ARG 22 -4.201 -5.553 -12.394 170 2HD ARG 22 2HD ARG 22 -2.453 -5.708 -12.568 171 HE ARG 22 HE ARG 22 -2.783 -7.009 -14.424 172 1HH1 ARG 22 1HH1 ARG 22 -5.783 -6.718 -12.678 173 2HH1 ARG 22 2HH1 ARG 22 -6.729 -7.462 -13.923 174 1HH2 ARG 22 1HH2 ARG 22 -4.021 -7.989 -16.069 175 2HH2 ARG 22 2HH2 ARG 22 -5.728 -8.185 -15.851 176 H ARG 23 H ARG 23 -1.393 -7.101 -8.345 177 HA ARG 23 HA ARG 23 -0.133 -9.351 -9.445 178 1HB ARG 23 1HB ARG 23 0.620 -7.078 -7.805 179 2HB ARG 23 2HB ARG 23 1.481 -8.534 -7.318 180 1HG ARG 23 1HG ARG 23 2.767 -7.319 -8.957 181 2HG ARG 23 2HG ARG 23 2.219 -8.850 -9.641 182 1HD ARG 23 1HD ARG 23 0.291 -6.762 -10.110 183 2HD ARG 23 2HD ARG 23 1.880 -6.301 -10.722 184 HE ARG 23 HE ARG 23 1.235 -8.948 -11.497 185 1HH1 ARG 23 1HH1 ARG 23 0.496 -5.619 -12.199 186 2HH1 ARG 23 2HH1 ARG 23 0.066 -5.927 -13.848 187 1HH2 ARG 23 1HH2 ARG 23 0.672 -9.366 -13.666 188 2HH2 ARG 23 2HH2 ARG 23 0.166 -8.059 -14.683 189 H VAL 24 H VAL 24 -0.640 -8.647 -5.980 190 HA VAL 24 HA VAL 24 0.110 -11.057 -4.919 191 HB VAL 24 HB VAL 24 -2.220 -9.390 -3.963 192 1HG1 VAL 24 1HG1 VAL 24 -1.108 -11.842 -3.012 193 2HG1 VAL 24 2HG1 VAL 24 -2.446 -10.900 -2.355 194 3HG1 VAL 24 3HG1 VAL 24 -0.795 -10.567 -1.834 195 1HG2 VAL 24 1HG2 VAL 24 0.489 -8.695 -4.196 196 2HG2 VAL 24 2HG2 VAL 24 0.209 -9.025 -2.487 197 3HG2 VAL 24 3HG2 VAL 24 -0.778 -7.828 -3.326 198 H ALA 25 H ALA 25 -2.859 -10.281 -6.592 199 HA ALA 25 HA ALA 25 -4.379 -12.529 -5.823 200 1HB ALA 25 1HB ALA 25 -5.456 -10.639 -6.842 201 2HB ALA 25 2HB ALA 25 -5.704 -12.051 -7.869 202 3HB ALA 25 3HB ALA 25 -4.506 -10.838 -8.314 203 H ASP 26 H ASP 26 -2.226 -11.952 -8.580 204 HA ASP 26 HA ASP 26 -2.592 -14.585 -9.657 205 1HB ASP 26 1HB ASP 26 -1.938 -12.446 -10.931 206 2HB ASP 26 2HB ASP 26 -0.311 -12.730 -10.321 207 H GLY 27 H GLY 27 -0.265 -13.005 -7.552 208 1HA GLY 27 1HA GLY 27 0.762 -14.519 -5.885 209 2HA GLY 27 2HA GLY 27 1.073 -15.619 -7.219 210 H GLU 28 H GLU 28 1.508 -12.137 -7.402 211 HA GLU 28 HA GLU 28 4.330 -12.577 -7.983 212 1HB GLU 28 1HB GLU 28 2.845 -9.963 -8.185 213 2HB GLU 28 2HB GLU 28 4.323 -10.446 -9.008 214 1HG GLU 28 1HG GLU 28 2.666 -12.329 -9.943 215 2HG GLU 28 2HG GLU 28 1.515 -11.023 -9.673 216 H ASP 29 H ASP 29 5.874 -10.877 -7.179 217 HA ASP 29 HA ASP 29 5.713 -10.755 -4.320 218 1HB ASP 29 1HB ASP 29 7.740 -10.242 -6.386 219 2HB ASP 29 2HB ASP 29 7.857 -9.181 -4.986 220 HA PRO 30 HA PRO 30 3.342 -6.902 -4.429 221 1HB PRO 30 1HB PRO 30 4.057 -6.948 -1.550 222 2HB PRO 30 2HB PRO 30 2.482 -6.761 -2.320 223 1HG PRO 30 1HG PRO 30 3.163 -9.054 -1.133 224 2HG PRO 30 2HG PRO 30 2.198 -9.036 -2.620 225 1HD PRO 30 1HD PRO 30 5.092 -9.668 -2.243 226 2HD PRO 30 2HD PRO 30 3.913 -10.390 -3.356 227 H LYS 31 H LYS 31 6.409 -7.342 -2.702 228 HA LYS 31 HA LYS 31 7.136 -4.729 -2.244 229 1HB LYS 31 1HB LYS 31 8.465 -7.275 -2.402 230 2HB LYS 31 2HB LYS 31 9.470 -6.032 -3.128 231 1HG LYS 31 1HG LYS 31 8.255 -5.316 -0.546 232 2HG LYS 31 2HG LYS 31 9.447 -6.619 -0.499 233 1HD LYS 31 1HD LYS 31 10.275 -4.348 -2.136 234 2HD LYS 31 2HD LYS 31 10.013 -3.935 -0.440 235 1HE LYS 31 1HE LYS 31 11.512 -5.744 0.234 236 2HE LYS 31 2HE LYS 31 11.770 -6.165 -1.459 237 1HZ LYS 31 1HZ LYS 31 13.119 -4.253 0.082 238 2HZ LYS 31 2HZ LYS 31 12.307 -3.442 -1.161 239 3HZ LYS 31 3HZ LYS 31 13.393 -4.685 -1.530 240 H ASP 32 H ASP 32 7.318 -6.584 -5.229 241 HA ASP 32 HA ASP 32 8.646 -4.579 -6.757 242 1HB ASP 32 1HB ASP 32 7.558 -7.210 -7.211 243 2HB ASP 32 2HB ASP 32 7.034 -6.115 -8.485 244 H VAL 33 H VAL 33 5.292 -5.420 -6.086 245 HA VAL 33 HA VAL 33 4.030 -3.631 -7.845 246 HB VAL 33 HB VAL 33 3.075 -4.493 -5.109 247 1HG1 VAL 33 1HG1 VAL 33 2.006 -2.651 -6.997 248 2HG1 VAL 33 2HG1 VAL 33 1.327 -3.169 -5.455 249 3HG1 VAL 33 3HG1 VAL 33 0.951 -4.064 -6.929 250 1HG2 VAL 33 1HG2 VAL 33 1.730 -6.154 -6.438 251 2HG2 VAL 33 2HG2 VAL 33 3.467 -6.460 -6.383 252 3HG2 VAL 33 3HG2 VAL 33 2.741 -5.747 -7.824 253 H LEU 34 H LEU 34 5.159 -3.252 -4.506 254 HA LEU 34 HA LEU 34 4.262 -0.725 -3.922 255 1HB LEU 34 1HB LEU 34 6.748 -2.212 -3.184 256 2HB LEU 34 2HB LEU 34 6.563 -0.544 -2.689 257 HG LEU 34 HG LEU 34 5.882 -2.345 -1.012 258 1HD1 LEU 34 1HD1 LEU 34 3.533 -0.621 -1.356 259 2HD1 LEU 34 2HD1 LEU 34 5.083 0.218 -1.371 260 3HD1 LEU 34 3HD1 LEU 34 4.637 -0.783 0.011 261 1HD2 LEU 34 1HD2 LEU 34 4.632 -3.872 -2.259 262 2HD2 LEU 34 2HD2 LEU 34 3.680 -2.602 -3.030 263 3HD2 LEU 34 3HD2 LEU 34 3.427 -2.981 -1.329 264 H ASP 35 H ASP 35 7.228 -1.604 -5.667 265 HA ASP 35 HA ASP 35 8.189 0.975 -6.112 266 1HB ASP 35 1HB ASP 35 9.170 -1.425 -6.693 267 2HB ASP 35 2HB ASP 35 8.468 -1.072 -8.269 268 H ASP 36 H ASP 36 5.672 -0.874 -7.649 269 HA ASP 36 HA ASP 36 5.282 0.987 -9.823 270 1HB ASP 36 1HB ASP 36 4.452 -1.669 -9.204 271 2HB ASP 36 2HB ASP 36 3.003 -0.696 -9.428 272 H LEU 37 H LEU 37 3.635 0.117 -6.816 273 HA LEU 37 HA LEU 37 1.403 1.723 -6.922 274 1HB LEU 37 1HB LEU 37 3.175 0.834 -4.676 275 2HB LEU 37 2HB LEU 37 1.830 1.908 -4.355 276 HG LEU 37 HG LEU 37 1.080 -0.452 -5.915 277 1HD1 LEU 37 1HD1 LEU 37 2.411 -0.724 -3.249 278 2HD1 LEU 37 2HD1 LEU 37 2.569 -1.731 -4.688 279 3HD1 LEU 37 3HD1 LEU 37 1.103 -1.814 -3.711 280 1HD2 LEU 37 1HD2 LEU 37 -0.883 -0.098 -4.905 281 2HD2 LEU 37 2HD2 LEU 37 -0.181 1.437 -4.390 282 3HD2 LEU 37 3HD2 LEU 37 -0.144 0.041 -3.309 283 H GLY 38 H GLY 38 4.578 2.591 -5.555 284 1HA GLY 38 1HA GLY 38 5.643 4.667 -5.990 285 2HA GLY 38 2HA GLY 38 4.073 5.374 -6.335 286 H LEU 39 H LEU 39 5.388 3.575 -3.544 287 HA LEU 39 HA LEU 39 4.740 5.913 -1.879 288 1HB LEU 39 1HB LEU 39 4.504 3.349 -0.496 289 2HB LEU 39 2HB LEU 39 3.445 4.743 -0.468 290 HG LEU 39 HG LEU 39 2.550 3.960 -2.706 291 1HD1 LEU 39 1HD1 LEU 39 3.801 2.394 -3.697 292 2HD1 LEU 39 2HD1 LEU 39 2.977 1.265 -2.621 293 3HD1 LEU 39 3HD1 LEU 39 4.561 1.905 -2.186 294 1HD2 LEU 39 1HD2 LEU 39 2.017 1.810 -0.746 295 2HD2 LEU 39 2HD2 LEU 39 0.896 2.810 -1.669 296 3HD2 LEU 39 3HD2 LEU 39 1.694 3.468 -0.241 297 H LYS 40 H LYS 40 7.108 6.223 -2.382 298 HA LYS 40 HA LYS 40 9.133 4.580 -1.416 299 1HB LYS 40 1HB LYS 40 8.978 7.583 -1.684 300 2HB LYS 40 2HB LYS 40 10.454 6.743 -1.235 301 1HG LYS 40 1HG LYS 40 8.987 5.997 -3.730 302 2HG LYS 40 2HG LYS 40 10.074 7.388 -3.701 303 1HD LYS 40 1HD LYS 40 11.687 5.605 -2.562 304 2HD LYS 40 2HD LYS 40 10.683 4.492 -3.494 305 1HE LYS 40 1HE LYS 40 11.422 6.748 -5.109 306 2HE LYS 40 2HE LYS 40 12.860 6.010 -4.402 307 1HZ LYS 40 1HZ LYS 40 11.037 4.964 -6.396 308 2HZ LYS 40 2HZ LYS 40 11.525 3.852 -5.219 309 3HZ LYS 40 3HZ LYS 40 12.682 4.649 -6.160 310 H ARG 41 H ARG 41 10.647 5.845 0.440 311 HA ARG 41 HA ARG 41 10.888 6.458 2.638 312 1HB ARG 41 1HB ARG 41 7.886 6.261 2.940 313 2HB ARG 41 2HB ARG 41 9.013 6.964 4.080 314 1HG ARG 41 1HG ARG 41 9.317 8.863 2.833 315 2HG ARG 41 2HG ARG 41 8.903 8.063 1.316 316 1HD ARG 41 1HD ARG 41 6.703 8.465 1.557 317 2HD ARG 41 2HD ARG 41 6.735 8.157 3.293 318 HE ARG 41 HE ARG 41 6.916 10.404 3.633 319 1HH1 ARG 41 1HH1 ARG 41 7.884 9.691 0.365 320 2HH1 ARG 41 2HH1 ARG 41 8.055 11.355 -0.086 321 1HH2 ARG 41 1HH2 ARG 41 7.139 12.599 3.050 322 2HH2 ARG 41 2HH2 ARG 41 7.632 13.008 1.441 323 H TYR 42 H TYR 42 8.362 4.017 2.112 324 HA TYR 42 HA TYR 42 8.406 1.772 2.641 325 1HB TYR 42 1HB TYR 42 10.974 2.088 2.971 326 2HB TYR 42 2HB TYR 42 10.572 2.157 4.684 327 HD1 TYR 42 HD1 TYR 42 9.161 0.174 5.612 328 HD2 TYR 42 HD2 TYR 42 11.342 0.033 1.962 329 HE1 TYR 42 HE1 TYR 42 9.161 -2.285 5.711 330 HE2 TYR 42 HE2 TYR 42 11.346 -2.424 2.052 331 HH TYR 42 HH TYR 42 9.735 -4.227 3.214 332 H CYS 43 H CYS 43 8.391 4.392 4.891 333 HA CYS 43 HA CYS 43 7.447 3.183 7.206 334 1HB CYS 43 1HB CYS 43 6.292 5.390 7.608 335 2HB CYS 43 2HB CYS 43 8.009 5.513 7.240 336 H CYS 44 H CYS 44 5.906 3.883 4.175 337 HA CYS 44 HA CYS 44 3.242 3.206 5.110 338 1HB CYS 44 1HB CYS 44 3.973 3.367 2.206 339 2HB CYS 44 2HB CYS 44 2.487 3.869 3.009 340 H ARG 45 H ARG 45 5.435 1.894 2.621 341 HA ARG 45 HA ARG 45 4.149 -0.393 1.937 342 1HB ARG 45 1HB ARG 45 7.117 -0.418 2.435 343 2HB ARG 45 2HB ARG 45 6.214 -1.279 1.199 344 1HG ARG 45 1HG ARG 45 5.611 1.045 0.301 345 2HG ARG 45 2HG ARG 45 6.935 1.622 1.316 346 1HD ARG 45 1HD ARG 45 8.489 0.153 0.179 347 2HD ARG 45 2HD ARG 45 7.178 -0.524 -0.789 348 HE ARG 45 HE ARG 45 7.028 2.090 -1.380 349 1HH1 ARG 45 1HH1 ARG 45 9.701 -0.140 -1.314 350 2HH1 ARG 45 2HH1 ARG 45 10.578 0.671 -2.568 351 1HH2 ARG 45 1HH2 ARG 45 8.173 3.167 -3.031 352 2HH2 ARG 45 2HH2 ARG 45 9.708 2.553 -3.545 353 H ARG 46 H ARG 46 6.547 -0.216 4.582 354 HA ARG 46 HA ARG 46 6.476 -2.749 5.546 355 1HB ARG 46 1HB ARG 46 6.890 -1.773 7.803 356 2HB ARG 46 2HB ARG 46 7.893 -1.078 6.538 357 1HG ARG 46 1HG ARG 46 7.223 0.937 7.132 358 2HG ARG 46 2HG ARG 46 5.569 0.506 6.699 359 1HD ARG 46 1HD ARG 46 5.597 1.279 8.970 360 2HD ARG 46 2HD ARG 46 5.275 -0.455 8.962 361 HE ARG 46 HE ARG 46 7.939 -0.372 9.293 362 1HH1 ARG 46 1HH1 ARG 46 5.331 1.289 10.896 363 2HH1 ARG 46 2HH1 ARG 46 6.165 1.407 12.409 364 1HH2 ARG 46 1HH2 ARG 46 9.045 -0.221 11.281 365 2HH2 ARG 46 2HH2 ARG 46 8.276 0.549 12.629 366 H MET 47 H MET 47 4.000 -0.307 5.921 367 HA MET 47 HA MET 47 2.400 -1.977 7.680 368 1HB MET 47 1HB MET 47 2.625 0.589 7.799 369 2HB MET 47 2HB MET 47 1.537 0.616 6.421 370 1HG MET 47 1HG MET 47 0.225 -1.036 8.152 371 2HG MET 47 2HG MET 47 0.984 0.125 9.240 372 1HE MET 47 1HE MET 47 -0.298 3.466 7.348 373 2HE MET 47 2HE MET 47 1.037 2.471 6.757 374 3HE MET 47 3HE MET 47 0.912 2.853 8.476 375 H LEU 48 H LEU 48 2.592 -1.038 4.335 376 HA LEU 48 HA LEU 48 -0.028 -2.075 3.698 377 1HB LEU 48 1HB LEU 48 2.120 -1.180 1.784 378 2HB LEU 48 2HB LEU 48 0.408 -1.355 1.450 379 HG LEU 48 HG LEU 48 1.286 0.565 3.557 380 1HD1 LEU 48 1HD1 LEU 48 2.175 0.691 0.863 381 2HD1 LEU 48 2HD1 LEU 48 2.399 1.870 2.155 382 3HD1 LEU 48 3HD1 LEU 48 0.979 1.963 1.114 383 1HD2 LEU 48 1HD2 LEU 48 -1.064 0.167 1.769 384 2HD2 LEU 48 2HD2 LEU 48 -0.701 1.783 2.379 385 3HD2 LEU 48 3HD2 LEU 48 -1.006 0.463 3.508 386 H ILE 49 H ILE 49 3.179 -2.784 2.283 387 HA ILE 49 HA ILE 49 2.638 -4.992 0.852 388 HB ILE 49 HB ILE 49 4.920 -5.911 1.540 389 1HG1 ILE 49 1HG1 ILE 49 5.699 -3.314 2.625 390 2HG1 ILE 49 2HG1 ILE 49 4.592 -4.194 3.679 391 1HG2 ILE 49 1HG2 ILE 49 4.675 -4.672 -0.474 392 2HG2 ILE 49 2HG2 ILE 49 6.094 -4.040 0.359 393 3HG2 ILE 49 3HG2 ILE 49 4.573 -3.147 0.405 394 1HD1 ILE 49 1HD1 ILE 49 6.714 -4.828 4.389 395 2HD1 ILE 49 2HD1 ILE 49 7.315 -4.997 2.740 396 3HD1 ILE 49 3HD1 ILE 49 6.171 -6.173 3.387 397 H SER 50 H SER 50 2.823 -4.903 4.344 398 HA SER 50 HA SER 50 2.594 -7.776 4.587 399 1HB SER 50 1HB SER 50 3.450 -5.669 6.272 400 2HB SER 50 2HB SER 50 2.051 -6.407 7.055 401 HG SER 50 HG SER 50 4.352 -7.314 7.314 402 H HIS 51 H HIS 51 0.611 -5.087 5.858 403 HA HIS 51 HA HIS 51 -1.680 -6.855 6.013 404 1HB HIS 51 1HB HIS 51 -1.291 -5.353 7.870 405 2HB HIS 51 2HB HIS 51 -1.315 -3.957 6.796 406 HD2 HIS 51 HD2 HIS 51 -3.506 -2.756 7.894 407 HE1 HIS 51 HE1 HIS 51 -6.175 -5.961 7.170 408 HE2 HIS 51 HE2 HIS 51 -5.977 -3.550 7.931 409 H VAL 52 H VAL 52 -1.618 -3.476 4.931 410 HA VAL 52 HA VAL 52 -3.021 -2.436 3.430 411 HB VAL 52 HB VAL 52 -0.940 -2.873 2.195 412 1HG1 VAL 52 1HG1 VAL 52 -1.351 -5.421 2.230 413 2HG1 VAL 52 2HG1 VAL 52 -0.574 -4.693 0.826 414 3HG1 VAL 52 3HG1 VAL 52 -2.284 -5.121 0.763 415 1HG2 VAL 52 1HG2 VAL 52 -3.576 -2.516 0.977 416 2HG2 VAL 52 2HG2 VAL 52 -2.296 -2.975 -0.146 417 3HG2 VAL 52 3HG2 VAL 52 -2.119 -1.530 0.851 418 H GLU 53 H GLU 53 -5.130 -2.906 3.893 419 HA GLU 53 HA GLU 53 -6.490 -5.274 3.535 420 1HB GLU 53 1HB GLU 53 -7.232 -2.962 4.535 421 2HB GLU 53 2HB GLU 53 -7.871 -2.689 2.920 422 1HG GLU 53 1HG GLU 53 -8.994 -5.006 3.267 423 2HG GLU 53 2HG GLU 53 -8.701 -4.680 4.975 424 H THR 54 H THR 54 -7.249 -6.400 1.856 425 HA THR 54 HA THR 54 -7.245 -5.119 -0.798 426 HB THR 54 HB THR 54 -6.478 -7.173 -1.814 427 HG1 THR 54 HG1 THR 54 -6.421 -8.215 0.842 428 1HG2 THR 54 1HG2 THR 54 -4.933 -5.593 -0.058 429 2HG2 THR 54 2HG2 THR 54 -4.380 -6.528 -1.447 430 3HG2 THR 54 3HG2 THR 54 -4.407 -7.262 0.156 431 H TRP 55 H TRP 55 -9.370 -4.826 -1.174 432 HA TRP 55 HA TRP 55 -11.556 -5.285 -1.588 433 1HB TRP 55 1HB TRP 55 -10.495 -7.005 -3.073 434 2HB TRP 55 2HB TRP 55 -10.664 -8.171 -1.763 435 HD1 TRP 55 HD1 TRP 55 -13.696 -6.454 -1.303 436 HE1 TRP 55 HE1 TRP 55 -15.651 -7.458 -2.643 437 HE3 TRP 55 HE3 TRP 55 -11.032 -9.249 -4.656 438 HZ2 TRP 55 HZ2 TRP 55 -16.016 -9.204 -4.830 439 HZ3 TRP 55 HZ3 TRP 55 -12.262 -10.557 -6.340 440 HH2 TRP 55 HH2 TRP 55 -14.702 -10.533 -6.422 Start of MODEL 5 1 H MET 1 H MET 1 -6.631 3.061 -0.561 2 HA MET 1 HA MET 1 -5.193 3.071 1.233 3 1HB MET 1 1HB MET 1 -4.034 5.158 1.400 4 2HB MET 1 2HB MET 1 -4.545 4.947 -0.265 5 1HG MET 1 1HG MET 1 -5.181 7.078 -0.063 6 2HG MET 1 2HG MET 1 -6.616 6.373 0.667 7 1HE MET 1 1HE MET 1 -3.078 6.961 3.213 8 2HE MET 1 2HE MET 1 -3.081 8.444 2.259 9 3HE MET 1 3HE MET 1 -3.062 6.876 1.453 10 H ILE 2 H ILE 2 -4.667 4.953 3.201 11 HA ILE 2 HA ILE 2 -7.102 5.012 4.830 12 HB ILE 2 HB ILE 2 -4.464 3.815 5.675 13 1HG1 ILE 2 1HG1 ILE 2 -6.028 1.892 6.288 14 2HG1 ILE 2 2HG1 ILE 2 -7.256 2.734 5.345 15 1HG2 ILE 2 1HG2 ILE 2 -5.203 3.661 7.900 16 2HG2 ILE 2 2HG2 ILE 2 -6.845 4.143 7.474 17 3HG2 ILE 2 3HG2 ILE 2 -5.535 5.322 7.421 18 1HD1 ILE 2 1HD1 ILE 2 -5.382 0.917 4.417 19 2HD1 ILE 2 2HD1 ILE 2 -4.805 2.489 3.861 20 3HD1 ILE 2 3HD1 ILE 2 -6.435 1.952 3.452 21 HA PRO 3 HA PRO 3 -5.519 9.079 5.742 22 1HB PRO 3 1HB PRO 3 -7.171 9.767 7.711 23 2HB PRO 3 2HB PRO 3 -7.804 9.503 6.078 24 1HG PRO 3 1HG PRO 3 -7.723 7.584 8.402 25 2HG PRO 3 2HG PRO 3 -9.121 8.037 7.396 26 1HD PRO 3 1HD PRO 3 -7.692 5.790 6.917 27 2HD PRO 3 2HD PRO 3 -8.397 6.750 5.597 28 H VAL 4 H VAL 4 -4.860 10.331 7.815 29 HA VAL 4 HA VAL 4 -3.572 10.488 9.687 30 HB VAL 4 HB VAL 4 -5.231 8.060 10.139 31 1HG1 VAL 4 1HG1 VAL 4 -4.156 7.927 12.500 32 2HG1 VAL 4 2HG1 VAL 4 -2.737 8.610 11.705 33 3HG1 VAL 4 3HG1 VAL 4 -3.399 7.068 11.155 34 1HG2 VAL 4 1HG2 VAL 4 -6.158 9.320 11.878 35 2HG2 VAL 4 2HG2 VAL 4 -5.843 10.486 10.593 36 3HG2 VAL 4 3HG2 VAL 4 -4.755 10.383 11.976 37 H ARG 5 H ARG 5 -3.342 6.988 9.221 38 HA ARG 5 HA ARG 5 -0.633 6.769 9.720 39 1HB ARG 5 1HB ARG 5 -2.745 5.072 9.051 40 2HB ARG 5 2HB ARG 5 -1.527 4.782 7.809 41 1HG ARG 5 1HG ARG 5 -1.096 3.234 9.533 42 2HG ARG 5 2HG ARG 5 0.129 4.493 9.701 43 1HD ARG 5 1HD ARG 5 -0.760 5.300 11.641 44 2HD ARG 5 2HD ARG 5 -2.400 4.812 11.217 45 HE ARG 5 HE ARG 5 -2.037 2.825 12.280 46 1HH1 ARG 5 1HH1 ARG 5 1.033 4.335 11.634 47 2HH1 ARG 5 2HH1 ARG 5 1.943 3.170 12.537 48 1HH2 ARG 5 1HH2 ARG 5 -0.849 1.286 13.472 49 2HH2 ARG 5 2HH2 ARG 5 0.873 1.437 13.582 50 H CYS 6 H CYS 6 0.817 5.597 7.954 51 HA CYS 6 HA CYS 6 1.105 7.543 5.782 52 1HB CYS 6 1HB CYS 6 2.945 6.303 7.582 53 2HB CYS 6 2HB CYS 6 3.364 5.830 5.939 54 H LEU 7 H LEU 7 -0.096 6.838 4.133 55 HA LEU 7 HA LEU 7 0.722 4.319 2.896 56 1HB LEU 7 1HB LEU 7 -2.124 5.282 3.084 57 2HB LEU 7 2HB LEU 7 -1.591 3.856 2.226 58 HG LEU 7 HG LEU 7 -2.466 2.923 4.127 59 1HD1 LEU 7 1HD1 LEU 7 0.286 2.854 3.995 60 2HD1 LEU 7 2HD1 LEU 7 -0.741 1.820 4.980 61 3HD1 LEU 7 3HD1 LEU 7 -0.043 3.278 5.673 62 1HD2 LEU 7 1HD2 LEU 7 -2.446 3.913 6.319 63 2HD2 LEU 7 2HD2 LEU 7 -3.015 5.095 5.140 64 3HD2 LEU 7 3HD2 LEU 7 -1.369 5.196 5.766 65 H SER 8 H SER 8 1.761 6.720 2.269 66 HA SER 8 HA SER 8 1.304 6.970 -0.472 67 1HB SER 8 1HB SER 8 -0.332 8.748 1.263 68 2HB SER 8 2HB SER 8 0.423 9.489 -0.149 69 HG SER 8 HG SER 8 -1.701 8.594 -0.527 70 H CYS 9 H CYS 9 1.944 9.226 2.216 71 HA CYS 9 HA CYS 9 3.738 10.518 2.729 72 1HB CYS 9 1HB CYS 9 4.803 8.055 1.800 73 2HB CYS 9 2HB CYS 9 5.808 9.341 1.140 74 H GLY 10 H GLY 10 2.140 10.927 0.197 75 1HA GLY 10 1HA GLY 10 2.624 13.215 -0.794 76 2HA GLY 10 2HA GLY 10 4.140 12.490 -1.308 77 H LYS 11 H LYS 11 2.654 9.906 -1.808 78 HA LYS 11 HA LYS 11 1.360 10.712 -4.324 79 1HB LYS 11 1HB LYS 11 3.591 8.902 -3.823 80 2HB LYS 11 2HB LYS 11 2.316 8.160 -4.782 81 1HG LYS 11 1HG LYS 11 3.904 9.132 -6.268 82 2HG LYS 11 2HG LYS 11 2.440 10.118 -6.319 83 1HD LYS 11 1HD LYS 11 3.829 11.311 -4.314 84 2HD LYS 11 2HD LYS 11 5.138 10.788 -5.374 85 1HE LYS 11 1HE LYS 11 4.199 11.976 -7.229 86 2HE LYS 11 2HE LYS 11 2.740 12.353 -6.312 87 1HZ LYS 11 1HZ LYS 11 3.748 14.033 -5.238 88 2HZ LYS 11 2HZ LYS 11 4.802 14.017 -6.561 89 3HZ LYS 11 3HZ LYS 11 5.235 13.236 -5.124 90 HA PRO 12 HA PRO 12 -2.182 8.541 -2.686 91 1HB PRO 12 1HB PRO 12 -2.909 8.254 -5.543 92 2HB PRO 12 2HB PRO 12 -3.830 8.963 -4.214 93 1HG PRO 12 1HG PRO 12 -2.699 10.500 -6.085 94 2HG PRO 12 2HG PRO 12 -2.756 11.007 -4.386 95 1HD PRO 12 1HD PRO 12 -0.471 9.893 -5.960 96 2HD PRO 12 2HD PRO 12 -0.475 11.169 -4.725 97 H VAL 13 H VAL 13 -2.268 6.466 -2.104 98 HA VAL 13 HA VAL 13 -1.056 4.467 -3.875 99 HB VAL 13 HB VAL 13 -0.671 3.082 -1.997 100 1HG1 VAL 13 1HG1 VAL 13 0.471 4.712 -0.375 101 2HG1 VAL 13 2HG1 VAL 13 -0.082 5.976 -1.475 102 3HG1 VAL 13 3HG1 VAL 13 1.001 4.712 -2.059 103 1HG2 VAL 13 1HG2 VAL 13 -1.472 3.612 0.270 104 2HG2 VAL 13 2HG2 VAL 13 -2.799 3.311 -0.854 105 3HG2 VAL 13 3HG2 VAL 13 -2.398 4.962 -0.390 106 H SER 14 H SER 14 -4.073 5.632 -3.113 107 HA SER 14 HA SER 14 -5.607 3.309 -2.768 108 1HB SER 14 1HB SER 14 -6.425 5.923 -4.059 109 2HB SER 14 2HB SER 14 -7.516 4.691 -3.418 110 HG SER 14 HG SER 14 -6.824 6.634 -2.062 111 H ALA 15 H ALA 15 -5.643 5.297 -5.721 112 HA ALA 15 HA ALA 15 -6.777 3.479 -7.413 113 1HB ALA 15 1HB ALA 15 -4.577 5.309 -8.326 114 2HB ALA 15 2HB ALA 15 -6.173 5.901 -7.867 115 3HB ALA 15 3HB ALA 15 -6.004 4.777 -9.216 116 H TYR 16 H TYR 16 -3.524 3.456 -6.194 117 HA TYR 16 HA TYR 16 -2.593 1.575 -8.173 118 1HB TYR 16 1HB TYR 16 -1.393 3.056 -5.881 119 2HB TYR 16 2HB TYR 16 -0.584 1.602 -6.450 120 HD1 TYR 16 HD1 TYR 16 -1.215 5.089 -7.070 121 HD2 TYR 16 HD2 TYR 16 0.141 1.477 -8.865 122 HE1 TYR 16 HE1 TYR 16 -0.172 6.387 -8.880 123 HE2 TYR 16 HE2 TYR 16 1.187 2.765 -10.681 124 HH TYR 16 HH TYR 16 0.594 5.356 -11.680 125 H PHE 17 H PHE 17 -3.929 1.479 -4.964 126 HA PHE 17 HA PHE 17 -2.984 -0.909 -3.967 127 1HB PHE 17 1HB PHE 17 -5.551 0.568 -3.689 128 2HB PHE 17 2HB PHE 17 -5.530 -1.106 -3.151 129 HD1 PHE 17 HD1 PHE 17 -6.136 -0.019 -0.945 130 HD2 PHE 17 HD2 PHE 17 -2.344 0.500 -2.814 131 HE1 PHE 17 HE1 PHE 17 -5.170 0.670 1.208 132 HE2 PHE 17 HE2 PHE 17 -1.376 1.187 -0.662 133 HZ PHE 17 HZ PHE 17 -2.788 1.274 1.353 134 H ASN 18 H ASN 18 -5.148 -0.377 -6.630 135 HA ASN 18 HA ASN 18 -6.237 -2.975 -6.842 136 1HB ASN 18 1HB ASN 18 -5.729 -0.832 -8.914 137 2HB ASN 18 2HB ASN 18 -6.560 -2.342 -9.274 138 1HD2 ASN 18 1HD2 ASN 18 -8.671 -2.210 -9.239 139 2HD2 ASN 18 2HD2 ASN 18 -9.616 -1.123 -8.275 140 H GLU 19 H GLU 19 -3.235 -1.520 -7.911 141 HA GLU 19 HA GLU 19 -2.331 -3.575 -9.608 142 1HB GLU 19 1HB GLU 19 -1.388 -1.177 -9.164 143 2HB GLU 19 2HB GLU 19 -0.466 -1.963 -7.892 144 1HG GLU 19 1HG GLU 19 0.023 -3.604 -10.002 145 2HG GLU 19 2HG GLU 19 -0.114 -2.034 -10.793 146 H TYR 20 H TYR 20 -1.540 -2.899 -6.208 147 HA TYR 20 HA TYR 20 -0.029 -5.152 -5.652 148 1HB TYR 20 1HB TYR 20 -0.188 -3.390 -4.034 149 2HB TYR 20 2HB TYR 20 -1.929 -3.586 -3.898 150 HD1 TYR 20 HD1 TYR 20 -2.859 -5.583 -2.744 151 HD2 TYR 20 HD2 TYR 20 1.310 -4.731 -2.754 152 HE1 TYR 20 HE1 TYR 20 -2.546 -7.114 -0.847 153 HE2 TYR 20 HE2 TYR 20 1.634 -6.262 -0.857 154 HH TYR 20 HH TYR 20 0.413 -8.287 0.103 155 H GLN 21 H GLN 21 -3.537 -4.722 -5.395 156 HA GLN 21 HA GLN 21 -4.181 -7.273 -4.455 157 1HB GLN 21 1HB GLN 21 -5.788 -5.425 -4.489 158 2HB GLN 21 2HB GLN 21 -5.798 -5.449 -6.246 159 1HG GLN 21 1HG GLN 21 -7.144 -7.255 -6.355 160 2HG GLN 21 2HG GLN 21 -6.469 -7.985 -4.900 161 1HE2 GLN 21 1HE2 GLN 21 -6.911 -6.453 -2.901 162 2HE2 GLN 21 2HE2 GLN 21 -8.570 -6.009 -2.719 163 H ARG 22 H ARG 22 -4.337 -6.077 -7.812 164 HA ARG 22 HA ARG 22 -4.927 -8.470 -9.067 165 1HB ARG 22 1HB ARG 22 -3.344 -6.074 -9.980 166 2HB ARG 22 2HB ARG 22 -3.653 -7.440 -11.044 167 1HG ARG 22 1HG ARG 22 -6.153 -6.944 -10.189 168 2HG ARG 22 2HG ARG 22 -5.465 -5.321 -10.106 169 1HD ARG 22 1HD ARG 22 -4.616 -6.487 -12.541 170 2HD ARG 22 2HD ARG 22 -6.349 -6.777 -12.392 171 HE ARG 22 HE ARG 22 -5.033 -4.240 -12.778 172 1HH1 ARG 22 1HH1 ARG 22 -7.927 -5.863 -11.716 173 2HH1 ARG 22 2HH1 ARG 22 -8.947 -4.487 -11.973 174 1HH2 ARG 22 1HH2 ARG 22 -6.368 -2.422 -13.118 175 2HH2 ARG 22 2HH2 ARG 22 -8.062 -2.531 -12.769 176 H ARG 23 H ARG 23 -1.709 -7.058 -8.504 177 HA ARG 23 HA ARG 23 -0.235 -9.201 -9.547 178 1HB ARG 23 1HB ARG 23 0.319 -6.767 -8.117 179 2HB ARG 23 2HB ARG 23 1.382 -8.083 -7.615 180 1HG ARG 23 1HG ARG 23 2.424 -6.996 -9.427 181 2HG ARG 23 2HG ARG 23 1.824 -8.523 -10.037 182 1HD ARG 23 1HD ARG 23 0.563 -7.495 -11.548 183 2HD ARG 23 2HD ARG 23 -0.174 -6.480 -10.310 184 HE ARG 23 HE ARG 23 2.321 -5.406 -10.802 185 1HH1 ARG 23 1HH1 ARG 23 -0.587 -6.037 -12.610 186 2HH1 ARG 23 2HH1 ARG 23 -0.352 -4.713 -13.701 187 1HH2 ARG 23 1HH2 ARG 23 2.640 -3.658 -12.234 188 2HH2 ARG 23 2HH2 ARG 23 1.483 -3.361 -13.487 189 H VAL 24 H VAL 24 -0.487 -8.341 -6.089 190 HA VAL 24 HA VAL 24 0.539 -10.657 -5.027 191 HB VAL 24 HB VAL 24 -1.721 -9.030 -3.854 192 1HG1 VAL 24 1HG1 VAL 24 -1.727 -10.781 -2.421 193 2HG1 VAL 24 2HG1 VAL 24 -0.349 -9.922 -1.732 194 3HG1 VAL 24 3HG1 VAL 24 -0.085 -11.270 -2.838 195 1HG2 VAL 24 1HG2 VAL 24 1.041 -8.403 -4.326 196 2HG2 VAL 24 2HG2 VAL 24 0.709 -8.433 -2.594 197 3HG2 VAL 24 3HG2 VAL 24 -0.237 -7.390 -3.654 198 H ALA 25 H ALA 25 -2.566 -10.147 -6.475 199 HA ALA 25 HA ALA 25 -3.892 -12.409 -5.379 200 1HB ALA 25 1HB ALA 25 -5.249 -10.693 -6.274 201 2HB ALA 25 2HB ALA 25 -5.443 -12.083 -7.343 202 3HB ALA 25 3HB ALA 25 -4.409 -10.736 -7.824 203 H ASP 26 H ASP 26 -2.251 -11.843 -8.486 204 HA ASP 26 HA ASP 26 -2.613 -14.516 -9.407 205 1HB ASP 26 1HB ASP 26 -1.381 -12.059 -10.387 206 2HB ASP 26 2HB ASP 26 -0.450 -13.491 -10.814 207 H GLY 27 H GLY 27 -0.118 -12.843 -7.604 208 1HA GLY 27 1HA GLY 27 1.120 -14.347 -6.058 209 2HA GLY 27 2HA GLY 27 1.373 -15.389 -7.448 210 H GLU 28 H GLU 28 1.578 -11.904 -7.681 211 HA GLU 28 HA GLU 28 4.386 -12.164 -8.424 212 1HB GLU 28 1HB GLU 28 2.456 -9.846 -8.649 213 2HB GLU 28 2HB GLU 28 4.125 -9.811 -9.197 214 1HG GLU 28 1HG GLU 28 3.104 -10.307 -11.155 215 2HG GLU 28 2HG GLU 28 3.362 -11.942 -10.549 216 H ASP 29 H ASP 29 6.042 -10.958 -7.480 217 HA ASP 29 HA ASP 29 6.000 -10.682 -4.716 218 1HB ASP 29 1HB ASP 29 7.947 -10.606 -6.599 219 2HB ASP 29 2HB ASP 29 7.859 -8.899 -6.170 220 HA PRO 30 HA PRO 30 3.397 -6.979 -4.536 221 1HB PRO 30 1HB PRO 30 4.180 -7.140 -1.683 222 2HB PRO 30 2HB PRO 30 2.576 -7.029 -2.409 223 1HG PRO 30 1HG PRO 30 3.461 -9.324 -1.356 224 2HG PRO 30 2HG PRO 30 2.441 -9.299 -2.806 225 1HD PRO 30 1HD PRO 30 5.383 -9.748 -2.563 226 2HD PRO 30 2HD PRO 30 4.213 -10.493 -3.672 227 H LYS 31 H LYS 31 6.455 -7.315 -2.741 228 HA LYS 31 HA LYS 31 7.055 -4.672 -2.277 229 1HB LYS 31 1HB LYS 31 8.492 -7.162 -2.365 230 2HB LYS 31 2HB LYS 31 9.472 -5.886 -3.068 231 1HG LYS 31 1HG LYS 31 9.756 -4.828 -1.096 232 2HG LYS 31 2HG LYS 31 8.133 -5.228 -0.524 233 1HD LYS 31 1HD LYS 31 9.806 -6.364 0.823 234 2HD LYS 31 2HD LYS 31 8.868 -7.536 -0.105 235 1HE LYS 31 1HE LYS 31 11.137 -6.694 -1.635 236 2HE LYS 31 2HE LYS 31 11.666 -7.216 -0.037 237 1HZ LYS 31 1HZ LYS 31 11.461 -8.953 -1.891 238 2HZ LYS 31 2HZ LYS 31 9.795 -8.867 -1.608 239 3HZ LYS 31 3HZ LYS 31 10.841 -9.337 -0.365 240 H ASP 32 H ASP 32 7.445 -6.546 -5.233 241 HA ASP 32 HA ASP 32 8.751 -4.534 -6.754 242 1HB ASP 32 1HB ASP 32 8.029 -7.171 -7.187 243 2HB ASP 32 2HB ASP 32 6.947 -6.287 -8.260 244 H VAL 33 H VAL 33 5.390 -5.444 -6.204 245 HA VAL 33 HA VAL 33 4.165 -3.635 -7.958 246 HB VAL 33 HB VAL 33 3.104 -4.592 -5.294 247 1HG1 VAL 33 1HG1 VAL 33 1.152 -3.610 -5.768 248 2HG1 VAL 33 2HG1 VAL 33 1.229 -4.062 -7.472 249 3HG1 VAL 33 3HG1 VAL 33 2.085 -2.630 -6.899 250 1HG2 VAL 33 1HG2 VAL 33 3.129 -5.837 -8.016 251 2HG2 VAL 33 2HG2 VAL 33 1.851 -6.209 -6.860 252 3HG2 VAL 33 3HG2 VAL 33 3.532 -6.557 -6.455 253 H LEU 34 H LEU 34 5.157 -3.311 -4.566 254 HA LEU 34 HA LEU 34 4.168 -0.812 -3.966 255 1HB LEU 34 1HB LEU 34 6.663 -2.242 -3.151 256 2HB LEU 34 2HB LEU 34 6.398 -0.594 -2.633 257 HG LEU 34 HG LEU 34 5.715 -2.420 -1.005 258 1HD1 LEU 34 1HD1 LEU 34 3.281 -0.852 -1.468 259 2HD1 LEU 34 2HD1 LEU 34 4.770 0.088 -1.403 260 3HD1 LEU 34 3HD1 LEU 34 4.323 -0.946 -0.047 261 1HD2 LEU 34 1HD2 LEU 34 4.630 -4.008 -2.339 262 2HD2 LEU 34 2HD2 LEU 34 3.630 -2.786 -3.125 263 3HD2 LEU 34 3HD2 LEU 34 3.336 -3.214 -1.442 264 H ASP 35 H ASP 35 7.057 -1.654 -5.795 265 HA ASP 35 HA ASP 35 8.069 0.951 -6.098 266 1HB ASP 35 1HB ASP 35 9.178 -1.323 -6.666 267 2HB ASP 35 2HB ASP 35 8.350 -1.170 -8.214 268 H ASP 36 H ASP 36 5.630 -0.887 -7.800 269 HA ASP 36 HA ASP 36 5.284 1.094 -9.878 270 1HB ASP 36 1HB ASP 36 4.177 -1.581 -9.245 271 2HB ASP 36 2HB ASP 36 3.095 -0.488 -10.101 272 H LEU 37 H LEU 37 3.597 0.039 -6.962 273 HA LEU 37 HA LEU 37 1.259 1.462 -7.068 274 1HB LEU 37 1HB LEU 37 3.087 0.695 -4.837 275 2HB LEU 37 2HB LEU 37 1.717 1.728 -4.488 276 HG LEU 37 HG LEU 37 1.066 -0.705 -6.016 277 1HD1 LEU 37 1HD1 LEU 37 2.337 -0.807 -3.320 278 2HD1 LEU 37 2HD1 LEU 37 2.521 -1.899 -4.692 279 3HD1 LEU 37 3HD1 LEU 37 1.049 -1.940 -3.722 280 1HD2 LEU 37 1HD2 LEU 37 -0.300 1.198 -4.575 281 2HD2 LEU 37 2HD2 LEU 37 -0.283 -0.194 -3.493 282 3HD2 LEU 37 3HD2 LEU 37 -0.942 -0.351 -5.120 283 H GLY 38 H GLY 38 4.365 2.613 -5.765 284 1HA GLY 38 1HA GLY 38 5.137 4.816 -6.423 285 2HA GLY 38 2HA GLY 38 3.472 5.365 -6.348 286 H LEU 39 H LEU 39 5.385 3.454 -4.047 287 HA LEU 39 HA LEU 39 5.237 5.672 -2.133 288 1HB LEU 39 1HB LEU 39 4.892 3.137 -0.792 289 2HB LEU 39 2HB LEU 39 3.918 4.590 -0.690 290 HG LEU 39 HG LEU 39 2.763 3.841 -2.810 291 1HD1 LEU 39 1HD1 LEU 39 3.827 2.220 -3.917 292 2HD1 LEU 39 2HD1 LEU 39 3.055 1.129 -2.765 293 3HD1 LEU 39 3HD1 LEU 39 4.707 1.684 -2.488 294 1HD2 LEU 39 1HD2 LEU 39 2.410 1.794 -0.670 295 2HD2 LEU 39 2HD2 LEU 39 1.195 2.612 -1.653 296 3HD2 LEU 39 3HD2 LEU 39 2.019 3.486 -0.361 297 H LYS 40 H LYS 40 7.491 5.887 -2.748 298 HA LYS 40 HA LYS 40 9.273 3.735 -1.918 299 1HB LYS 40 1HB LYS 40 9.394 5.584 -3.965 300 2HB LYS 40 2HB LYS 40 10.529 6.228 -2.788 301 1HG LYS 40 1HG LYS 40 10.724 3.340 -3.394 302 2HG LYS 40 2HG LYS 40 11.228 4.469 -4.654 303 1HD LYS 40 1HD LYS 40 12.294 5.369 -2.177 304 2HD LYS 40 2HD LYS 40 12.655 3.649 -2.341 305 1HE LYS 40 1HE LYS 40 13.294 4.418 -4.803 306 2HE LYS 40 2HE LYS 40 13.570 5.950 -3.975 307 1HZ LYS 40 1HZ LYS 40 14.709 3.521 -2.801 308 2HZ LYS 40 2HZ LYS 40 15.302 5.105 -2.789 309 3HZ LYS 40 3HZ LYS 40 15.452 4.157 -4.181 310 H ARG 41 H ARG 41 8.705 3.949 0.338 311 HA ARG 41 HA ARG 41 10.492 5.800 1.693 312 1HB ARG 41 1HB ARG 41 7.510 5.754 2.091 313 2HB ARG 41 2HB ARG 41 8.593 6.281 3.374 314 1HG ARG 41 1HG ARG 41 8.772 7.491 0.647 315 2HG ARG 41 2HG ARG 41 7.550 8.036 1.796 316 1HD ARG 41 1HD ARG 41 9.102 9.402 2.623 317 2HD ARG 41 2HD ARG 41 9.880 7.965 3.286 318 HE ARG 41 HE ARG 41 11.547 8.210 1.746 319 1HH1 ARG 41 1HH1 ARG 41 8.782 10.061 0.720 320 2HH1 ARG 41 2HH1 ARG 41 9.609 10.805 -0.606 321 1HH2 ARG 41 1HH2 ARG 41 12.648 9.186 0.000 322 2HH2 ARG 41 2HH2 ARG 41 11.807 10.308 -1.017 323 H TYR 42 H TYR 42 8.146 3.177 1.974 324 HA TYR 42 HA TYR 42 8.433 1.106 2.916 325 1HB TYR 42 1HB TYR 42 11.015 1.933 3.119 326 2HB TYR 42 2HB TYR 42 10.572 1.814 4.820 327 HD1 TYR 42 HD1 TYR 42 8.607 -0.497 4.516 328 HD2 TYR 42 HD2 TYR 42 12.544 0.115 3.022 329 HE1 TYR 42 HE1 TYR 42 8.949 -2.930 4.440 330 HE2 TYR 42 HE2 TYR 42 12.897 -2.317 2.944 331 HH TYR 42 HH TYR 42 11.998 -4.345 4.014 332 H CYS 43 H CYS 43 8.724 3.994 4.921 333 HA CYS 43 HA CYS 43 7.713 2.950 7.300 334 1HB CYS 43 1HB CYS 43 7.277 5.166 7.964 335 2HB CYS 43 2HB CYS 43 8.650 5.275 6.869 336 H CYS 44 H CYS 44 6.192 3.737 4.290 337 HA CYS 44 HA CYS 44 3.492 3.306 5.308 338 1HB CYS 44 1HB CYS 44 4.181 3.539 2.395 339 2HB CYS 44 2HB CYS 44 2.716 4.063 3.231 340 H ARG 45 H ARG 45 5.681 1.907 2.886 341 HA ARG 45 HA ARG 45 4.229 -0.222 2.015 342 1HB ARG 45 1HB ARG 45 7.180 -0.358 2.638 343 2HB ARG 45 2HB ARG 45 6.306 -1.355 1.489 344 1HG ARG 45 1HG ARG 45 6.152 0.321 -0.070 345 2HG ARG 45 2HG ARG 45 6.310 1.605 1.125 346 1HD ARG 45 1HD ARG 45 8.476 1.735 0.667 347 2HD ARG 45 2HD ARG 45 8.679 0.078 1.236 348 HE ARG 45 HE ARG 45 7.768 -0.169 -1.330 349 1HH1 ARG 45 1HH1 ARG 45 10.469 1.402 0.205 350 2HH1 ARG 45 2HH1 ARG 45 11.516 1.227 -1.164 351 1HH2 ARG 45 1HH2 ARG 45 9.137 -0.407 -3.140 352 2HH2 ARG 45 2HH2 ARG 45 10.759 0.199 -3.066 353 H ARG 46 H ARG 46 6.503 -0.374 4.773 354 HA ARG 46 HA ARG 46 6.226 -2.939 5.572 355 1HB ARG 46 1HB ARG 46 6.693 -2.242 7.844 356 2HB ARG 46 2HB ARG 46 7.634 -1.267 6.722 357 1HG ARG 46 1HG ARG 46 5.815 0.478 6.931 358 2HG ARG 46 2HG ARG 46 5.193 -0.474 8.280 359 1HD ARG 46 1HD ARG 46 7.771 -0.323 8.997 360 2HD ARG 46 2HD ARG 46 7.636 1.181 8.088 361 HE ARG 46 HE ARG 46 5.485 0.929 9.909 362 1HH1 ARG 46 1HH1 ARG 46 8.895 1.623 9.769 363 2HH1 ARG 46 2HH1 ARG 46 8.889 2.598 11.200 364 1HH2 ARG 46 1HH2 ARG 46 5.465 2.213 11.797 365 2HH2 ARG 46 2HH2 ARG 46 6.939 2.933 12.353 366 H MET 47 H MET 47 3.879 -0.378 6.088 367 HA MET 47 HA MET 47 2.153 -2.094 7.647 368 1HB MET 47 1HB MET 47 1.836 0.720 6.608 369 2HB MET 47 2HB MET 47 0.608 -0.106 7.553 370 1HG MET 47 1HG MET 47 2.461 -0.426 9.300 371 2HG MET 47 2HG MET 47 3.325 0.819 8.398 372 1HE MET 47 1HE MET 47 1.442 3.831 8.451 373 2HE MET 47 2HE MET 47 0.028 2.886 7.982 374 3HE MET 47 3HE MET 47 1.606 2.522 7.284 375 H LEU 48 H LEU 48 2.496 -1.025 4.365 376 HA LEU 48 HA LEU 48 -0.142 -1.912 3.596 377 1HB LEU 48 1HB LEU 48 2.094 -1.066 1.765 378 2HB LEU 48 2HB LEU 48 0.376 -1.095 1.415 379 HG LEU 48 HG LEU 48 1.285 0.639 3.646 380 1HD1 LEU 48 1HD1 LEU 48 2.400 2.158 2.431 381 2HD1 LEU 48 2HD1 LEU 48 1.364 1.933 1.025 382 3HD1 LEU 48 3HD1 LEU 48 2.690 0.812 1.328 383 1HD2 LEU 48 1HD2 LEU 48 -0.895 0.571 1.620 384 2HD2 LEU 48 2HD2 LEU 48 -0.442 2.110 2.353 385 3HD2 LEU 48 3HD2 LEU 48 -0.987 0.776 3.369 386 H ILE 49 H ILE 49 3.131 -2.738 2.375 387 HA ILE 49 HA ILE 49 2.531 -4.885 0.835 388 HB ILE 49 HB ILE 49 4.740 -5.931 1.684 389 1HG1 ILE 49 1HG1 ILE 49 5.531 -3.269 2.636 390 2HG1 ILE 49 2HG1 ILE 49 4.424 -4.119 3.712 391 1HG2 ILE 49 1HG2 ILE 49 4.702 -4.874 -0.411 392 2HG2 ILE 49 2HG2 ILE 49 6.025 -4.105 0.466 393 3HG2 ILE 49 3HG2 ILE 49 4.475 -3.278 0.305 394 1HD1 ILE 49 1HD1 ILE 49 7.041 -5.200 2.698 395 2HD1 ILE 49 2HD1 ILE 49 5.945 -6.000 3.825 396 3HD1 ILE 49 3HD1 ILE 49 6.760 -4.508 4.296 397 H SER 50 H SER 50 2.456 -4.814 4.309 398 HA SER 50 HA SER 50 2.158 -7.684 4.537 399 1HB SER 50 1HB SER 50 1.997 -5.481 6.608 400 2HB SER 50 2HB SER 50 1.898 -7.204 6.970 401 HG SER 50 HG SER 50 4.005 -7.378 5.957 402 H HIS 51 H HIS 51 0.160 -5.161 6.044 403 HA HIS 51 HA HIS 51 -2.172 -6.843 5.718 404 1HB HIS 51 1HB HIS 51 -1.458 -5.373 7.783 405 2HB HIS 51 2HB HIS 51 -2.303 -4.101 6.907 406 HD2 HIS 51 HD2 HIS 51 -4.851 -3.928 7.663 407 HE1 HIS 51 HE1 HIS 51 -5.406 -7.988 8.724 408 HE2 HIS 51 HE2 HIS 51 -6.498 -5.702 8.598 409 H VAL 52 H VAL 52 -1.709 -3.346 5.178 410 HA VAL 52 HA VAL 52 -2.823 -1.894 3.812 411 HB VAL 52 HB VAL 52 -1.149 -2.823 2.267 412 1HG1 VAL 52 1HG1 VAL 52 -1.879 -4.503 0.597 413 2HG1 VAL 52 2HG1 VAL 52 -3.343 -4.750 1.549 414 3HG1 VAL 52 3HG1 VAL 52 -1.767 -5.132 2.242 415 1HG2 VAL 52 1HG2 VAL 52 -3.578 -2.485 0.595 416 2HG2 VAL 52 2HG2 VAL 52 -1.983 -1.751 0.436 417 3HG2 VAL 52 3HG2 VAL 52 -3.103 -1.165 1.666 418 H GLU 53 H GLU 53 -4.500 -3.880 5.210 419 HA GLU 53 HA GLU 53 -6.622 -4.720 5.225 420 1HB GLU 53 1HB GLU 53 -6.806 -2.091 3.808 421 2HB GLU 53 2HB GLU 53 -8.244 -3.093 3.941 422 1HG GLU 53 1HG GLU 53 -8.340 -2.894 6.231 423 2HG GLU 53 2HG GLU 53 -6.633 -2.478 6.372 424 H THR 54 H THR 54 -5.869 -6.561 3.902 425 HA THR 54 HA THR 54 -6.873 -6.503 1.141 426 HB THR 54 HB THR 54 -5.666 -8.860 1.182 427 HG1 THR 54 HG1 THR 54 -5.132 -8.658 3.446 428 1HG2 THR 54 1HG2 THR 54 -4.748 -6.127 0.643 429 2HG2 THR 54 2HG2 THR 54 -4.676 -7.568 -0.371 430 3HG2 THR 54 3HG2 THR 54 -3.452 -7.301 0.871 431 H TRP 55 H TRP 55 -7.023 -8.408 4.129 432 HA TRP 55 HA TRP 55 -8.595 -9.833 4.946 433 1HB TRP 55 1HB TRP 55 -10.031 -7.831 3.728 434 2HB TRP 55 2HB TRP 55 -10.673 -9.274 2.948 435 HD1 TRP 55 HD1 TRP 55 -10.049 -8.010 6.567 436 HE1 TRP 55 HE1 TRP 55 -11.951 -8.908 8.053 437 HE3 TRP 55 HE3 TRP 55 -12.550 -10.796 3.087 438 HZ2 TRP 55 HZ2 TRP 55 -14.212 -10.577 7.784 439 HZ3 TRP 55 HZ3 TRP 55 -14.573 -12.012 3.782 440 HH2 TRP 55 HH2 TRP 55 -15.386 -11.904 6.082 Start of MODEL 6 1 H MET 1 H MET 1 -7.403 3.528 0.427 2 HA MET 1 HA MET 1 -5.499 2.377 2.159 3 1HB MET 1 1HB MET 1 -4.456 4.579 2.187 4 2HB MET 1 2HB MET 1 -4.959 4.174 0.555 5 1HG MET 1 1HG MET 1 -6.900 5.595 0.759 6 2HG MET 1 2HG MET 1 -6.512 5.929 2.445 7 1HE MET 1 1HE MET 1 -3.803 6.304 2.790 8 2HE MET 1 2HE MET 1 -3.087 7.753 2.080 9 3HE MET 1 3HE MET 1 -2.925 6.200 1.262 10 H ILE 2 H ILE 2 -4.812 4.174 4.031 11 HA ILE 2 HA ILE 2 -7.133 4.283 5.839 12 HB ILE 2 HB ILE 2 -4.237 3.760 6.517 13 1HG1 ILE 2 1HG1 ILE 2 -5.168 1.582 7.366 14 2HG1 ILE 2 2HG1 ILE 2 -6.701 2.012 6.612 15 1HG2 ILE 2 1HG2 ILE 2 -5.514 5.154 8.188 16 2HG2 ILE 2 2HG2 ILE 2 -4.815 3.658 8.801 17 3HG2 ILE 2 3HG2 ILE 2 -6.540 3.743 8.443 18 1HD1 ILE 2 1HD1 ILE 2 -4.474 2.227 4.773 19 2HD1 ILE 2 2HD1 ILE 2 -6.003 1.362 4.613 20 3HD1 ILE 2 3HD1 ILE 2 -4.646 0.607 5.450 21 HA PRO 3 HA PRO 3 -6.226 8.674 6.064 22 1HB PRO 3 1HB PRO 3 -7.530 9.309 8.300 23 2HB PRO 3 2HB PRO 3 -8.442 8.777 6.876 24 1HG PRO 3 1HG PRO 3 -7.473 7.124 9.209 25 2HG PRO 3 2HG PRO 3 -9.147 7.288 8.606 26 1HD PRO 3 1HD PRO 3 -7.643 5.221 7.824 27 2HD PRO 3 2HD PRO 3 -8.684 6.056 6.652 28 H VAL 4 H VAL 4 -4.868 10.075 7.407 29 HA VAL 4 HA VAL 4 -3.122 10.470 8.819 30 HB VAL 4 HB VAL 4 -4.854 8.544 10.334 31 1HG1 VAL 4 1HG1 VAL 4 -2.115 9.414 11.273 32 2HG1 VAL 4 2HG1 VAL 4 -2.698 7.765 11.045 33 3HG1 VAL 4 3HG1 VAL 4 -3.371 8.767 12.330 34 1HG2 VAL 4 1HG2 VAL 4 -5.661 10.679 10.533 35 2HG2 VAL 4 2HG2 VAL 4 -4.057 11.412 10.516 36 3HG2 VAL 4 3HG2 VAL 4 -4.631 10.580 11.961 37 H ARG 5 H ARG 5 -1.091 9.488 9.614 38 HA ARG 5 HA ARG 5 0.655 7.991 9.571 39 1HB ARG 5 1HB ARG 5 -1.546 6.288 9.314 40 2HB ARG 5 2HB ARG 5 -0.497 5.863 7.966 41 1HG ARG 5 1HG ARG 5 0.128 4.453 9.735 42 2HG ARG 5 2HG ARG 5 1.378 5.697 9.658 43 1HD ARG 5 1HD ARG 5 0.803 5.349 11.957 44 2HD ARG 5 2HD ARG 5 0.184 6.924 11.460 45 HE ARG 5 HE ARG 5 -1.918 5.250 11.065 46 1HH1 ARG 5 1HH1 ARG 5 0.157 5.942 13.773 47 2HH1 ARG 5 2HH1 ARG 5 -1.060 5.607 14.959 48 1HH2 ARG 5 1HH2 ARG 5 -3.530 4.806 12.617 49 2HH2 ARG 5 2HH2 ARG 5 -3.156 4.961 14.301 50 H CYS 6 H CYS 6 1.400 6.233 7.484 51 HA CYS 6 HA CYS 6 1.638 8.102 5.221 52 1HB CYS 6 1HB CYS 6 3.679 7.106 6.864 53 2HB CYS 6 2HB CYS 6 3.810 6.203 5.359 54 H LEU 7 H LEU 7 0.246 7.360 3.795 55 HA LEU 7 HA LEU 7 0.664 4.643 2.786 56 1HB LEU 7 1HB LEU 7 -1.911 6.026 3.445 57 2HB LEU 7 2HB LEU 7 -1.866 4.857 2.149 58 HG LEU 7 HG LEU 7 -2.424 3.341 3.686 59 1HD1 LEU 7 1HD1 LEU 7 0.190 3.715 5.093 60 2HD1 LEU 7 2HD1 LEU 7 0.105 2.992 3.488 61 3HD1 LEU 7 3HD1 LEU 7 -0.735 2.241 4.839 62 1HD2 LEU 7 1HD2 LEU 7 -3.214 5.015 5.177 63 2HD2 LEU 7 2HD2 LEU 7 -1.584 5.360 5.749 64 3HD2 LEU 7 3HD2 LEU 7 -2.338 3.810 6.119 65 H SER 8 H SER 8 1.885 6.997 1.945 66 HA SER 8 HA SER 8 1.319 7.012 -0.817 67 1HB SER 8 1HB SER 8 0.229 9.296 0.818 68 2HB SER 8 2HB SER 8 0.679 9.515 -0.873 69 HG SER 8 HG SER 8 -0.905 8.155 -1.487 70 H CYS 9 H CYS 9 2.395 9.406 1.598 71 HA CYS 9 HA CYS 9 4.425 10.374 1.966 72 1HB CYS 9 1HB CYS 9 5.081 7.842 0.970 73 2HB CYS 9 2HB CYS 9 6.052 8.966 0.026 74 H GLY 10 H GLY 10 2.675 10.638 -0.741 75 1HA GLY 10 1HA GLY 10 3.492 13.084 -1.561 76 2HA GLY 10 2HA GLY 10 4.564 12.005 -2.441 77 H LYS 11 H LYS 11 2.758 9.893 -2.907 78 HA LYS 11 HA LYS 11 0.763 11.203 -4.628 79 1HB LYS 11 1HB LYS 11 2.964 9.493 -5.367 80 2HB LYS 11 2HB LYS 11 1.433 8.765 -5.844 81 1HG LYS 11 1HG LYS 11 2.453 10.182 -7.596 82 2HG LYS 11 2HG LYS 11 0.842 10.716 -7.110 83 1HD LYS 11 1HD LYS 11 1.674 12.534 -5.912 84 2HD LYS 11 2HD LYS 11 3.299 11.859 -5.844 85 1HE LYS 11 1HE LYS 11 3.825 12.542 -7.957 86 2HE LYS 11 2HE LYS 11 2.158 12.433 -8.522 87 1HZ LYS 11 1HZ LYS 11 3.131 14.532 -6.664 88 2HZ LYS 11 2HZ LYS 11 1.630 14.468 -7.443 89 3HZ LYS 11 3HZ LYS 11 3.038 14.733 -8.342 90 HA PRO 12 HA PRO 12 -2.332 8.592 -2.943 91 1HB PRO 12 1HB PRO 12 -3.363 8.052 -5.653 92 2HB PRO 12 2HB PRO 12 -4.143 8.869 -4.296 93 1HG PRO 12 1HG PRO 12 -3.302 10.231 -6.445 94 2HG PRO 12 2HG PRO 12 -3.196 10.916 -4.813 95 1HD PRO 12 1HD PRO 12 -1.046 9.670 -6.487 96 2HD PRO 12 2HD PRO 12 -0.976 11.121 -5.465 97 H VAL 13 H VAL 13 -2.544 6.499 -2.380 98 HA VAL 13 HA VAL 13 -1.138 4.511 -4.031 99 HB VAL 13 HB VAL 13 -0.789 3.194 -2.059 100 1HG1 VAL 13 1HG1 VAL 13 -0.167 6.113 -1.684 101 2HG1 VAL 13 2HG1 VAL 13 0.880 4.850 -2.327 102 3HG1 VAL 13 3HG1 VAL 13 0.458 4.857 -0.614 103 1HG2 VAL 13 1HG2 VAL 13 -1.590 3.842 0.145 104 2HG2 VAL 13 2HG2 VAL 13 -2.947 3.627 -0.963 105 3HG2 VAL 13 3HG2 VAL 13 -2.400 5.250 -0.547 106 H SER 14 H SER 14 -4.193 5.381 -2.674 107 HA SER 14 HA SER 14 -5.521 2.944 -2.600 108 1HB SER 14 1HB SER 14 -6.871 5.454 -3.574 109 2HB SER 14 2HB SER 14 -7.528 4.169 -2.555 110 HG SER 14 HG SER 14 -7.073 5.798 -1.176 111 H ALA 15 H ALA 15 -5.084 5.169 -5.329 112 HA ALA 15 HA ALA 15 -6.630 3.699 -7.179 113 1HB ALA 15 1HB ALA 15 -6.049 6.044 -7.525 114 2HB ALA 15 2HB ALA 15 -5.540 5.052 -8.891 115 3HB ALA 15 3HB ALA 15 -4.351 5.602 -7.709 116 H TYR 16 H TYR 16 -3.275 3.495 -6.178 117 HA TYR 16 HA TYR 16 -2.597 1.608 -8.261 118 1HB TYR 16 1HB TYR 16 -1.153 3.034 -6.091 119 2HB TYR 16 2HB TYR 16 -0.476 1.509 -6.643 120 HD1 TYR 16 HD1 TYR 16 -0.802 5.006 -7.319 121 HD2 TYR 16 HD2 TYR 16 0.022 1.244 -9.128 122 HE1 TYR 16 HE1 TYR 16 0.240 6.159 -9.225 123 HE2 TYR 16 HE2 TYR 16 1.067 2.386 -11.040 124 HH TYR 16 HH TYR 16 1.047 4.544 -12.131 125 H PHE 17 H PHE 17 -3.688 1.556 -4.979 126 HA PHE 17 HA PHE 17 -2.805 -0.818 -3.961 127 1HB PHE 17 1HB PHE 17 -5.369 0.678 -3.719 128 2HB PHE 17 2HB PHE 17 -5.336 -0.970 -3.104 129 HD1 PHE 17 HD1 PHE 17 -2.225 0.876 -2.951 130 HD2 PHE 17 HD2 PHE 17 -5.845 0.005 -0.884 131 HE1 PHE 17 HE1 PHE 17 -1.221 1.683 -0.852 132 HE2 PHE 17 HE2 PHE 17 -4.843 0.810 1.214 133 HZ PHE 17 HZ PHE 17 -2.530 1.648 1.231 134 H ASN 18 H ASN 18 -5.021 -0.338 -6.596 135 HA ASN 18 HA ASN 18 -6.155 -2.905 -6.737 136 1HB ASN 18 1HB ASN 18 -6.221 -0.536 -8.272 137 2HB ASN 18 2HB ASN 18 -5.706 -1.816 -9.366 138 1HD2 ASN 18 1HD2 ASN 18 -7.132 -3.347 -10.001 139 2HD2 ASN 18 2HD2 ASN 18 -8.809 -3.346 -9.562 140 H GLU 19 H GLU 19 -3.199 -1.539 -8.131 141 HA GLU 19 HA GLU 19 -2.358 -3.709 -9.654 142 1HB GLU 19 1HB GLU 19 -1.323 -1.287 -9.187 143 2HB GLU 19 2HB GLU 19 -0.312 -2.212 -8.087 144 1HG GLU 19 1HG GLU 19 0.904 -2.140 -10.064 145 2HG GLU 19 2HG GLU 19 0.157 -3.737 -10.076 146 H TYR 20 H TYR 20 -1.706 -2.958 -6.249 147 HA TYR 20 HA TYR 20 -0.153 -5.164 -5.590 148 1HB TYR 20 1HB TYR 20 -0.417 -3.397 -4.002 149 2HB TYR 20 2HB TYR 20 -2.161 -3.600 -3.963 150 HD1 TYR 20 HD1 TYR 20 1.016 -4.725 -2.635 151 HD2 TYR 20 HD2 TYR 20 -3.153 -5.557 -2.804 152 HE1 TYR 20 HE1 TYR 20 1.242 -6.216 -0.691 153 HE2 TYR 20 HE2 TYR 20 -2.940 -7.049 -0.861 154 HH TYR 20 HH TYR 20 -0.166 -8.309 0.195 155 H GLN 21 H GLN 21 -3.681 -4.814 -5.489 156 HA GLN 21 HA GLN 21 -4.291 -7.405 -4.615 157 1HB GLN 21 1HB GLN 21 -5.985 -5.695 -4.586 158 2HB GLN 21 2HB GLN 21 -5.863 -5.475 -6.326 159 1HG GLN 21 1HG GLN 21 -6.927 -7.496 -6.777 160 2HG GLN 21 2HG GLN 21 -6.699 -8.089 -5.133 161 1HE2 GLN 21 1HE2 GLN 21 -7.599 -6.119 -3.578 162 2HE2 GLN 21 2HE2 GLN 21 -9.268 -5.796 -3.880 163 H ARG 22 H ARG 22 -4.233 -6.093 -7.927 164 HA ARG 22 HA ARG 22 -4.811 -8.428 -9.307 165 1HB ARG 22 1HB ARG 22 -3.148 -6.021 -10.028 166 2HB ARG 22 2HB ARG 22 -3.401 -7.341 -11.164 167 1HG ARG 22 1HG ARG 22 -5.937 -6.899 -10.533 168 2HG ARG 22 2HG ARG 22 -5.299 -5.291 -10.180 169 1HD ARG 22 1HD ARG 22 -4.171 -5.517 -12.510 170 2HD ARG 22 2HD ARG 22 -5.384 -6.768 -12.779 171 HE ARG 22 HE ARG 22 -6.924 -5.118 -13.069 172 1HH1 ARG 22 1HH1 ARG 22 -4.263 -3.830 -11.230 173 2HH1 ARG 22 2HH1 ARG 22 -4.890 -2.216 -11.207 174 1HH2 ARG 22 1HH2 ARG 22 -7.760 -2.995 -13.045 175 2HH2 ARG 22 2HH2 ARG 22 -6.879 -1.741 -12.240 176 H ARG 23 H ARG 23 -1.606 -7.104 -8.500 177 HA ARG 23 HA ARG 23 -0.085 -9.189 -9.558 178 1HB ARG 23 1HB ARG 23 0.379 -6.890 -7.911 179 2HB ARG 23 2HB ARG 23 1.337 -8.263 -7.357 180 1HG ARG 23 1HG ARG 23 2.754 -7.503 -8.929 181 2HG ARG 23 2HG ARG 23 1.751 -8.491 -9.978 182 1HD ARG 23 1HD ARG 23 0.400 -6.533 -10.529 183 2HD ARG 23 2HD ARG 23 1.428 -5.533 -9.501 184 HE ARG 23 HE ARG 23 2.958 -5.450 -11.192 185 1HH1 ARG 23 1HH1 ARG 23 0.800 -8.121 -11.765 186 2HH1 ARG 23 2HH1 ARG 23 1.449 -8.478 -13.330 187 1HH2 ARG 23 1HH2 ARG 23 3.822 -5.910 -13.252 188 2HH2 ARG 23 2HH2 ARG 23 3.168 -7.221 -14.176 189 H VAL 24 H VAL 24 -0.691 -8.633 -6.081 190 HA VAL 24 HA VAL 24 0.206 -11.031 -5.098 191 HB VAL 24 HB VAL 24 -2.203 -9.505 -4.097 192 1HG1 VAL 24 1HG1 VAL 24 -2.296 -11.545 -2.987 193 2HG1 VAL 24 2HG1 VAL 24 -1.367 -10.530 -1.881 194 3HG1 VAL 24 3HG1 VAL 24 -0.540 -11.697 -2.915 195 1HG2 VAL 24 1HG2 VAL 24 0.576 -8.832 -4.168 196 2HG2 VAL 24 2HG2 VAL 24 0.063 -9.048 -2.494 197 3HG2 VAL 24 3HG2 VAL 24 -0.779 -7.899 -3.532 198 H ALA 25 H ALA 25 -2.899 -10.332 -6.593 199 HA ALA 25 HA ALA 25 -4.312 -12.631 -5.951 200 1HB ALA 25 1HB ALA 25 -5.252 -12.180 -8.411 201 2HB ALA 25 2HB ALA 25 -4.413 -10.651 -8.146 202 3HB ALA 25 3HB ALA 25 -5.673 -11.172 -7.026 203 H ASP 26 H ASP 26 -2.303 -12.053 -8.841 204 HA ASP 26 HA ASP 26 -2.505 -14.735 -9.768 205 1HB ASP 26 1HB ASP 26 -1.930 -12.589 -11.098 206 2HB ASP 26 2HB ASP 26 -0.284 -12.851 -10.527 207 H GLY 27 H GLY 27 -0.035 -12.941 -7.968 208 1HA GLY 27 1HA GLY 27 0.984 -14.463 -6.192 209 2HA GLY 27 2HA GLY 27 1.409 -15.482 -7.560 210 H GLU 28 H GLU 28 1.542 -11.950 -7.438 211 HA GLU 28 HA GLU 28 4.392 -12.122 -8.049 212 1HB GLU 28 1HB GLU 28 2.402 -9.870 -8.363 213 2HB GLU 28 2HB GLU 28 4.117 -9.717 -8.707 214 1HG GLU 28 1HG GLU 28 3.195 -11.988 -10.098 215 2HG GLU 28 2HG GLU 28 2.040 -10.688 -10.384 216 H ASP 29 H ASP 29 5.942 -10.969 -6.905 217 HA ASP 29 HA ASP 29 5.545 -10.707 -4.133 218 1HB ASP 29 1HB ASP 29 7.727 -10.676 -5.891 219 2HB ASP 29 2HB ASP 29 7.764 -9.110 -5.084 220 HA PRO 30 HA PRO 30 3.268 -6.806 -4.318 221 1HB PRO 30 1HB PRO 30 3.918 -6.877 -1.417 222 2HB PRO 30 2HB PRO 30 2.373 -6.608 -2.224 223 1HG PRO 30 1HG PRO 30 2.920 -8.942 -1.046 224 2HG PRO 30 2HG PRO 30 1.997 -8.866 -2.558 225 1HD PRO 30 1HD PRO 30 4.835 -9.658 -2.106 226 2HD PRO 30 2HD PRO 30 3.662 -10.278 -3.284 227 H LYS 31 H LYS 31 6.301 -7.280 -2.536 228 HA LYS 31 HA LYS 31 7.060 -4.679 -2.074 229 1HB LYS 31 1HB LYS 31 8.344 -7.222 -2.149 230 2HB LYS 31 2HB LYS 31 9.364 -6.066 -2.990 231 1HG LYS 31 1HG LYS 31 9.652 -4.746 -1.103 232 2HG LYS 31 2HG LYS 31 8.232 -5.420 -0.300 233 1HD LYS 31 1HD LYS 31 9.480 -6.968 0.693 234 2HD LYS 31 2HD LYS 31 10.089 -7.521 -0.869 235 1HE LYS 31 1HE LYS 31 11.267 -5.007 0.068 236 2HE LYS 31 2HE LYS 31 11.606 -6.396 1.101 237 1HZ LYS 31 1HZ LYS 31 12.031 -7.370 -1.386 238 2HZ LYS 31 2HZ LYS 31 13.236 -6.809 -0.340 239 3HZ LYS 31 3HZ LYS 31 12.600 -5.782 -1.525 240 H ASP 32 H ASP 32 7.346 -6.545 -5.056 241 HA ASP 32 HA ASP 32 8.690 -4.530 -6.550 242 1HB ASP 32 1HB ASP 32 7.934 -7.176 -6.991 243 2HB ASP 32 2HB ASP 32 6.957 -6.258 -8.134 244 H VAL 33 H VAL 33 5.326 -5.396 -5.992 245 HA VAL 33 HA VAL 33 4.126 -3.641 -7.819 246 HB VAL 33 HB VAL 33 3.037 -4.530 -5.145 247 1HG1 VAL 33 1HG1 VAL 33 1.054 -3.600 -5.670 248 2HG1 VAL 33 2HG1 VAL 33 1.210 -3.985 -7.385 249 3HG1 VAL 33 3HG1 VAL 33 2.025 -2.568 -6.721 250 1HG2 VAL 33 1HG2 VAL 33 1.799 -6.199 -6.625 251 2HG2 VAL 33 2HG2 VAL 33 3.512 -6.500 -6.329 252 3HG2 VAL 33 3HG2 VAL 33 2.993 -5.805 -7.864 253 H LEU 34 H LEU 34 4.926 -3.198 -4.368 254 HA LEU 34 HA LEU 34 3.934 -0.670 -3.955 255 1HB LEU 34 1HB LEU 34 6.350 -2.073 -2.890 256 2HB LEU 34 2HB LEU 34 6.063 -0.401 -2.467 257 HG LEU 34 HG LEU 34 5.236 -2.107 -0.800 258 1HD1 LEU 34 1HD1 LEU 34 2.849 -0.600 -1.669 259 2HD1 LEU 34 2HD1 LEU 34 4.313 0.341 -1.376 260 3HD1 LEU 34 3HD1 LEU 34 3.642 -0.668 -0.094 261 1HD2 LEU 34 1HD2 LEU 34 2.963 -3.042 -1.384 262 2HD2 LEU 34 2HD2 LEU 34 4.343 -3.801 -2.174 263 3HD2 LEU 34 3HD2 LEU 34 3.340 -2.655 -3.062 264 H ASP 35 H ASP 35 7.023 -1.567 -5.432 265 HA ASP 35 HA ASP 35 8.046 1.013 -5.791 266 1HB ASP 35 1HB ASP 35 9.043 -1.418 -6.276 267 2HB ASP 35 2HB ASP 35 8.521 -1.028 -7.913 268 H ASP 36 H ASP 36 5.701 -0.862 -7.567 269 HA ASP 36 HA ASP 36 5.514 1.027 -9.750 270 1HB ASP 36 1HB ASP 36 4.414 -1.628 -9.103 271 2HB ASP 36 2HB ASP 36 3.300 -0.574 -9.966 272 H LEU 37 H LEU 37 3.680 0.127 -6.880 273 HA LEU 37 HA LEU 37 1.353 1.562 -7.209 274 1HB LEU 37 1HB LEU 37 2.994 0.775 -4.859 275 2HB LEU 37 2HB LEU 37 1.709 1.931 -4.601 276 HG LEU 37 HG LEU 37 0.767 -0.357 -6.114 277 1HD1 LEU 37 1HD1 LEU 37 0.811 -1.894 -4.126 278 2HD1 LEU 37 2HD1 LEU 37 2.041 -0.837 -3.431 279 3HD1 LEU 37 3HD1 LEU 37 2.355 -1.677 -4.948 280 1HD2 LEU 37 1HD2 LEU 37 -0.145 0.405 -3.381 281 2HD2 LEU 37 2HD2 LEU 37 -1.084 -0.113 -4.781 282 3HD2 LEU 37 3HD2 LEU 37 -0.411 1.517 -4.723 283 H GLY 38 H GLY 38 4.561 2.694 -6.414 284 1HA GLY 38 1HA GLY 38 5.195 4.945 -7.005 285 2HA GLY 38 2HA GLY 38 3.552 5.441 -6.633 286 H LEU 39 H LEU 39 3.106 4.359 -4.208 287 HA LEU 39 HA LEU 39 3.976 6.137 -2.391 288 1HB LEU 39 1HB LEU 39 3.933 3.877 -0.817 289 2HB LEU 39 2HB LEU 39 2.562 4.896 -1.204 290 HG LEU 39 HG LEU 39 1.938 3.402 -3.037 291 1HD1 LEU 39 1HD1 LEU 39 3.257 1.092 -2.841 292 2HD1 LEU 39 2HD1 LEU 39 4.566 2.198 -2.421 293 3HD1 LEU 39 3HD1 LEU 39 3.725 2.370 -3.962 294 1HD2 LEU 39 1HD2 LEU 39 1.410 3.012 -0.503 295 2HD2 LEU 39 2HD2 LEU 39 2.393 1.567 -0.744 296 3HD2 LEU 39 3HD2 LEU 39 0.947 1.823 -1.720 297 H LYS 40 H LYS 40 5.954 6.838 -1.992 298 HA LYS 40 HA LYS 40 8.231 5.045 -2.102 299 1HB LYS 40 1HB LYS 40 8.057 8.014 -1.568 300 2HB LYS 40 2HB LYS 40 9.556 7.110 -1.720 301 1HG LYS 40 1HG LYS 40 7.613 6.913 -3.948 302 2HG LYS 40 2HG LYS 40 8.480 8.438 -3.746 303 1HD LYS 40 1HD LYS 40 9.833 5.748 -3.880 304 2HD LYS 40 2HD LYS 40 9.586 6.793 -5.281 305 1HE LYS 40 1HE LYS 40 11.375 7.997 -4.758 306 2HE LYS 40 2HE LYS 40 10.738 8.308 -3.143 307 1HZ LYS 40 1HZ LYS 40 11.935 6.619 -2.242 308 2HZ LYS 40 2HZ LYS 40 12.979 7.017 -3.512 309 3HZ LYS 40 3HZ LYS 40 11.938 5.691 -3.655 310 H ARG 41 H ARG 41 9.948 5.441 -0.321 311 HA ARG 41 HA ARG 41 10.584 5.116 1.839 312 1HB ARG 41 1HB ARG 41 8.084 6.737 2.326 313 2HB ARG 41 2HB ARG 41 9.164 6.228 3.618 314 1HG ARG 41 1HG ARG 41 10.182 7.778 1.266 315 2HG ARG 41 2HG ARG 41 9.443 8.583 2.653 316 1HD ARG 41 1HD ARG 41 11.112 7.839 4.119 317 2HD ARG 41 2HD ARG 41 11.672 6.604 2.990 318 HE ARG 41 HE ARG 41 12.000 9.165 1.854 319 1HH1 ARG 41 1HH1 ARG 41 13.326 7.093 4.317 320 2HH1 ARG 41 2HH1 ARG 41 14.910 7.788 4.232 321 1HH2 ARG 41 1HH2 ARG 41 14.082 10.089 1.733 322 2HH2 ARG 41 2HH2 ARG 41 15.340 9.492 2.761 323 H TYR 42 H TYR 42 10.505 3.323 3.043 324 HA TYR 42 HA TYR 42 8.440 1.433 2.635 325 1HB TYR 42 1HB TYR 42 9.656 0.051 4.279 326 2HB TYR 42 2HB TYR 42 10.738 0.727 3.066 327 HD1 TYR 42 HD1 TYR 42 12.709 1.696 3.780 328 HD2 TYR 42 HD2 TYR 42 9.417 1.524 6.470 329 HE1 TYR 42 HE1 TYR 42 14.119 2.641 5.557 330 HE2 TYR 42 HE2 TYR 42 10.819 2.469 8.256 331 HH TYR 42 HH TYR 42 13.253 2.614 8.807 332 H CYS 43 H CYS 43 8.831 3.963 4.928 333 HA CYS 43 HA CYS 43 7.522 3.093 7.167 334 1HB CYS 43 1HB CYS 43 6.706 5.431 7.443 335 2HB CYS 43 2HB CYS 43 8.417 5.331 7.038 336 H CYS 44 H CYS 44 6.187 3.761 4.025 337 HA CYS 44 HA CYS 44 3.441 3.413 4.937 338 1HB CYS 44 1HB CYS 44 4.112 3.498 2.034 339 2HB CYS 44 2HB CYS 44 2.758 4.237 2.896 340 H ARG 45 H ARG 45 5.551 1.881 2.497 341 HA ARG 45 HA ARG 45 3.997 -0.309 1.920 342 1HB ARG 45 1HB ARG 45 6.999 -0.441 2.168 343 2HB ARG 45 2HB ARG 45 5.971 -1.409 1.125 344 1HG ARG 45 1HG ARG 45 6.027 0.105 -0.493 345 2HG ARG 45 2HG ARG 45 5.646 1.422 0.616 346 1HD ARG 45 1HD ARG 45 7.779 2.071 0.723 347 2HD ARG 45 2HD ARG 45 8.348 0.420 0.970 348 HE ARG 45 HE ARG 45 7.589 0.879 -1.736 349 1HH1 ARG 45 1HH1 ARG 45 10.131 1.418 0.582 350 2HH1 ARG 45 2HH1 ARG 45 11.381 1.507 -0.614 351 1HH2 ARG 45 1HH2 ARG 45 9.229 0.994 -3.321 352 2HH2 ARG 45 2HH2 ARG 45 10.868 1.265 -2.833 353 H ARG 46 H ARG 46 6.576 -0.186 4.396 354 HA ARG 46 HA ARG 46 6.478 -2.685 5.430 355 1HB ARG 46 1HB ARG 46 7.095 -1.741 7.614 356 2HB ARG 46 2HB ARG 46 7.979 -0.975 6.300 357 1HG ARG 46 1HG ARG 46 7.359 0.970 7.161 358 2HG ARG 46 2HG ARG 46 5.721 0.602 6.619 359 1HD ARG 46 1HD ARG 46 5.058 -0.142 8.713 360 2HD ARG 46 2HD ARG 46 6.713 -0.450 9.236 361 HE ARG 46 HE ARG 46 5.265 1.976 9.521 362 1HH1 ARG 46 1HH1 ARG 46 8.455 0.709 8.925 363 2HH1 ARG 46 2HH1 ARG 46 9.267 2.089 9.583 364 1HH2 ARG 46 1HH2 ARG 46 6.325 3.798 10.391 365 2HH2 ARG 46 2HH2 ARG 46 8.056 3.846 10.417 366 H MET 47 H MET 47 4.090 -0.173 5.882 367 HA MET 47 HA MET 47 2.567 -1.763 7.772 368 1HB MET 47 1HB MET 47 1.877 0.877 6.472 369 2HB MET 47 2HB MET 47 1.038 0.136 7.825 370 1HG MET 47 1HG MET 47 3.190 0.294 9.110 371 2HG MET 47 2HG MET 47 3.821 1.265 7.781 372 1HE MET 47 1HE MET 47 1.798 3.038 6.761 373 2HE MET 47 2HE MET 47 0.868 4.052 7.863 374 3HE MET 47 3HE MET 47 0.340 2.404 7.524 375 H LEU 48 H LEU 48 2.487 -0.799 4.407 376 HA LEU 48 HA LEU 48 -0.130 -1.863 3.921 377 1HB LEU 48 1HB LEU 48 1.975 -1.140 1.887 378 2HB LEU 48 2HB LEU 48 0.249 -1.291 1.616 379 HG LEU 48 HG LEU 48 1.198 0.714 3.599 380 1HD1 LEU 48 1HD1 LEU 48 2.193 0.672 0.974 381 2HD1 LEU 48 2HD1 LEU 48 2.297 1.982 2.150 382 3HD1 LEU 48 3HD1 LEU 48 0.947 1.919 1.020 383 1HD2 LEU 48 1HD2 LEU 48 -1.055 0.835 3.558 384 2HD2 LEU 48 2HD2 LEU 48 -1.170 0.185 1.924 385 3HD2 LEU 48 3HD2 LEU 48 -0.742 1.877 2.171 386 H ILE 49 H ILE 49 2.976 -2.732 2.385 387 HA ILE 49 HA ILE 49 2.251 -5.061 1.198 388 HB ILE 49 HB ILE 49 4.609 -5.903 1.662 389 1HG1 ILE 49 1HG1 ILE 49 5.447 -3.214 2.477 390 2HG1 ILE 49 2HG1 ILE 49 4.534 -4.076 3.713 391 1HG2 ILE 49 1HG2 ILE 49 4.085 -3.232 0.378 392 2HG2 ILE 49 2HG2 ILE 49 4.130 -4.818 -0.394 393 3HG2 ILE 49 3HG2 ILE 49 5.614 -4.098 0.228 394 1HD1 ILE 49 1HD1 ILE 49 7.093 -4.922 2.396 395 2HD1 ILE 49 2HD1 ILE 49 6.121 -5.990 3.408 396 3HD1 ILE 49 3HD1 ILE 49 6.821 -4.522 4.092 397 H SER 50 H SER 50 2.905 -4.621 4.614 398 HA SER 50 HA SER 50 2.687 -7.457 5.166 399 1HB SER 50 1HB SER 50 2.898 -5.157 7.121 400 2HB SER 50 2HB SER 50 3.164 -6.866 7.468 401 HG SER 50 HG SER 50 5.078 -5.477 7.049 402 H HIS 51 H HIS 51 0.887 -4.522 6.120 403 HA HIS 51 HA HIS 51 -1.239 -6.115 7.238 404 1HB HIS 51 1HB HIS 51 -0.379 -3.819 8.070 405 2HB HIS 51 2HB HIS 51 -1.390 -3.147 6.796 406 HD2 HIS 51 HD2 HIS 51 -3.864 -2.585 7.622 407 HE1 HIS 51 HE1 HIS 51 -4.003 -5.311 10.859 408 HE2 HIS 51 HE2 HIS 51 -5.258 -3.489 9.617 409 H VAL 52 H VAL 52 -1.068 -3.716 4.598 410 HA VAL 52 HA VAL 52 -3.590 -3.730 3.666 411 HB VAL 52 HB VAL 52 -1.130 -2.905 2.651 412 1HG1 VAL 52 1HG1 VAL 52 -2.543 -4.524 0.539 413 2HG1 VAL 52 2HG1 VAL 52 -0.927 -4.816 1.182 414 3HG1 VAL 52 3HG1 VAL 52 -1.252 -3.360 0.240 415 1HG2 VAL 52 1HG2 VAL 52 -3.874 -2.511 1.480 416 2HG2 VAL 52 2HG2 VAL 52 -2.468 -1.477 1.222 417 3HG2 VAL 52 3HG2 VAL 52 -3.186 -1.603 2.828 418 H GLU 53 H GLU 53 -4.939 -5.358 3.460 419 HA GLU 53 HA GLU 53 -4.004 -7.862 2.233 420 1HB GLU 53 1HB GLU 53 -5.589 -7.325 4.538 421 2HB GLU 53 2HB GLU 53 -6.610 -8.141 3.363 422 1HG GLU 53 1HG GLU 53 -4.613 -9.789 3.173 423 2HG GLU 53 2HG GLU 53 -4.153 -9.113 4.735 424 H THR 54 H THR 54 -6.400 -5.325 2.064 425 HA THR 54 HA THR 54 -7.948 -4.752 0.497 426 HB THR 54 HB THR 54 -7.326 -4.859 -1.742 427 HG1 THR 54 HG1 THR 54 -6.239 -7.360 -1.038 428 1HG2 THR 54 1HG2 THR 54 -4.554 -5.318 -1.089 429 2HG2 THR 54 2HG2 THR 54 -5.340 -4.340 0.151 430 3HG2 THR 54 3HG2 THR 54 -5.369 -3.817 -1.533 431 H TRP 55 H TRP 55 -8.250 -7.300 1.992 432 HA TRP 55 HA TRP 55 -10.090 -8.649 0.127 433 1HB TRP 55 1HB TRP 55 -7.980 -9.732 1.822 434 2HB TRP 55 2HB TRP 55 -9.536 -10.496 2.127 435 HD1 TRP 55 HD1 TRP 55 -10.811 -11.129 -0.459 436 HE1 TRP 55 HE1 TRP 55 -9.697 -12.500 -2.332 437 HE3 TRP 55 HE3 TRP 55 -5.917 -10.490 0.870 438 HZ2 TRP 55 HZ2 TRP 55 -7.087 -13.216 -3.138 439 HZ3 TRP 55 HZ3 TRP 55 -4.172 -11.550 -0.505 440 HH2 TRP 55 HH2 TRP 55 -4.748 -12.884 -2.467 Start of MODEL 7 1 H MET 1 H MET 1 -7.176 6.095 0.960 2 HA MET 1 HA MET 1 -6.078 4.099 2.515 3 1HB MET 1 1HB MET 1 -4.301 5.799 3.085 4 2HB MET 1 2HB MET 1 -4.613 5.599 1.370 5 1HG MET 1 1HG MET 1 -4.729 7.824 1.326 6 2HG MET 1 2HG MET 1 -6.334 7.611 2.023 7 1HE MET 1 1HE MET 1 -2.900 7.362 4.750 8 2HE MET 1 2HE MET 1 -2.401 8.655 3.660 9 3HE MET 1 3HE MET 1 -2.862 7.083 3.013 10 H ILE 2 H ILE 2 -4.861 4.887 4.696 11 HA ILE 2 HA ILE 2 -7.027 5.431 6.579 12 HB ILE 2 HB ILE 2 -4.232 4.509 7.200 13 1HG1 ILE 2 1HG1 ILE 2 -6.693 2.773 7.052 14 2HG1 ILE 2 2HG1 ILE 2 -5.586 2.964 5.695 15 1HG2 ILE 2 1HG2 ILE 2 -5.592 5.579 9.019 16 2HG2 ILE 2 2HG2 ILE 2 -5.019 3.944 9.346 17 3HG2 ILE 2 3HG2 ILE 2 -6.699 4.214 8.879 18 1HD1 ILE 2 1HD1 ILE 2 -5.406 1.049 7.611 19 2HD1 ILE 2 2HD1 ILE 2 -4.274 2.266 8.203 20 3HD1 ILE 2 3HD1 ILE 2 -4.076 1.591 6.585 21 HA PRO 3 HA PRO 3 -5.414 9.552 7.241 22 1HB PRO 3 1HB PRO 3 -6.652 10.162 9.528 23 2HB PRO 3 2HB PRO 3 -7.587 9.952 8.038 24 1HG PRO 3 1HG PRO 3 -7.030 7.934 10.209 25 2HG PRO 3 2HG PRO 3 -8.612 8.431 9.551 26 1HD PRO 3 1HD PRO 3 -7.393 6.222 8.650 27 2HD PRO 3 2HD PRO 3 -8.256 7.296 7.530 28 H VAL 4 H VAL 4 -4.229 10.745 9.025 29 HA VAL 4 HA VAL 4 -2.579 10.872 10.591 30 HB VAL 4 HB VAL 4 -4.250 8.575 11.478 31 1HG1 VAL 4 1HG1 VAL 4 -2.742 8.399 13.560 32 2HG1 VAL 4 2HG1 VAL 4 -1.469 9.033 12.516 33 3HG1 VAL 4 3HG1 VAL 4 -2.271 7.513 12.109 34 1HG2 VAL 4 1HG2 VAL 4 -3.315 10.744 13.265 35 2HG2 VAL 4 2HG2 VAL 4 -4.903 9.992 13.121 36 3HG2 VAL 4 3HG2 VAL 4 -4.378 11.180 11.929 37 H ARG 5 H ARG 5 -2.659 7.349 10.201 38 HA ARG 5 HA ARG 5 0.109 7.029 10.095 39 1HB ARG 5 1HB ARG 5 -2.156 5.387 10.129 40 2HB ARG 5 2HB ARG 5 -1.299 4.942 8.656 41 1HG ARG 5 1HG ARG 5 -0.396 3.512 10.225 42 2HG ARG 5 2HG ARG 5 0.780 4.828 10.199 43 1HD ARG 5 1HD ARG 5 0.423 4.385 12.474 44 2HD ARG 5 2HD ARG 5 -0.539 5.822 12.136 45 HE ARG 5 HE ARG 5 -2.120 3.509 11.804 46 1HH1 ARG 5 1HH1 ARG 5 -0.627 5.451 14.281 47 2HH1 ARG 5 2HH1 ARG 5 -1.797 5.038 15.491 48 1HH2 ARG 5 1HH2 ARG 5 -3.664 2.959 13.390 49 2HH2 ARG 5 2HH2 ARG 5 -3.523 3.622 14.984 50 H CYS 6 H CYS 6 1.069 5.679 8.179 51 HA CYS 6 HA CYS 6 1.460 7.400 5.991 52 1HB CYS 6 1HB CYS 6 2.034 4.441 6.200 53 2HB CYS 6 2HB CYS 6 2.735 5.548 5.028 54 H LEU 7 H LEU 7 1.344 5.451 3.859 55 HA LEU 7 HA LEU 7 -0.088 4.398 2.400 56 1HB LEU 7 1HB LEU 7 -2.359 5.499 4.041 57 2HB LEU 7 2HB LEU 7 -2.499 4.387 2.712 58 HG LEU 7 HG LEU 7 -2.446 2.706 4.169 59 1HD1 LEU 7 1HD1 LEU 7 -0.452 1.889 4.965 60 2HD1 LEU 7 2HD1 LEU 7 0.154 3.486 5.402 61 3HD1 LEU 7 3HD1 LEU 7 0.116 2.990 3.712 62 1HD2 LEU 7 1HD2 LEU 7 -3.030 3.189 6.250 63 2HD2 LEU 7 2HD2 LEU 7 -2.797 4.882 5.816 64 3HD2 LEU 7 3HD2 LEU 7 -1.490 3.981 6.584 65 H SER 8 H SER 8 0.969 7.185 2.623 66 HA SER 8 HA SER 8 0.045 8.161 0.158 67 1HB SER 8 1HB SER 8 -1.179 10.116 0.844 68 2HB SER 8 2HB SER 8 -1.916 8.719 1.625 69 HG SER 8 HG SER 8 -1.052 10.883 2.789 70 H CYS 9 H CYS 9 0.929 9.829 3.161 71 HA CYS 9 HA CYS 9 2.642 11.226 3.683 72 1HB CYS 9 1HB CYS 9 3.997 8.973 2.225 73 2HB CYS 9 2HB CYS 9 4.927 10.312 2.886 74 H GLY 10 H GLY 10 1.205 11.749 1.119 75 1HA GLY 10 1HA GLY 10 1.684 13.925 0.066 76 2HA GLY 10 2HA GLY 10 3.335 13.367 -0.139 77 H LYS 11 H LYS 11 1.697 10.672 -0.801 78 HA LYS 11 HA LYS 11 1.126 11.424 -3.581 79 1HB LYS 11 1HB LYS 11 3.273 9.754 -2.639 80 2HB LYS 11 2HB LYS 11 2.182 8.817 -3.654 81 1HG LYS 11 1HG LYS 11 4.034 9.847 -4.910 82 2HG LYS 11 2HG LYS 11 2.445 10.383 -5.463 83 1HD LYS 11 1HD LYS 11 2.686 12.490 -4.534 84 2HD LYS 11 2HD LYS 11 3.929 11.957 -3.404 85 1HE LYS 11 1HE LYS 11 5.520 11.723 -5.218 86 2HE LYS 11 2HE LYS 11 4.277 12.154 -6.393 87 1HZ LYS 11 1HZ LYS 11 4.248 14.347 -5.669 88 2HZ LYS 11 2HZ LYS 11 5.894 13.958 -5.641 89 3HZ LYS 11 3HZ LYS 11 5.009 13.993 -4.200 90 HA PRO 12 HA PRO 12 -2.347 8.746 -3.105 91 1HB PRO 12 1HB PRO 12 -2.985 8.330 -5.688 92 2HB PRO 12 2HB PRO 12 -3.136 9.911 -4.922 93 1HG PRO 12 1HG PRO 12 -1.165 8.957 -6.894 94 2HG PRO 12 2HG PRO 12 -1.691 10.609 -6.537 95 1HD PRO 12 1HD PRO 12 0.681 9.285 -5.643 96 2HD PRO 12 2HD PRO 12 0.141 10.928 -5.254 97 H VAL 13 H VAL 13 -2.459 6.689 -2.498 98 HA VAL 13 HA VAL 13 -1.029 4.665 -4.094 99 HB VAL 13 HB VAL 13 -0.665 3.372 -2.103 100 1HG1 VAL 13 1HG1 VAL 13 1.162 4.597 -1.810 101 2HG1 VAL 13 2HG1 VAL 13 0.252 5.677 -0.755 102 3HG1 VAL 13 3HG1 VAL 13 0.354 6.011 -2.484 103 1HG2 VAL 13 1HG2 VAL 13 -2.719 3.809 -0.908 104 2HG2 VAL 13 2HG2 VAL 13 -2.262 5.495 -0.671 105 3HG2 VAL 13 3HG2 VAL 13 -1.347 4.214 0.124 106 H SER 14 H SER 14 -4.077 5.662 -2.892 107 HA SER 14 HA SER 14 -5.425 3.238 -2.620 108 1HB SER 14 1HB SER 14 -6.753 5.682 -3.768 109 2HB SER 14 2HB SER 14 -7.414 4.485 -2.649 110 HG SER 14 HG SER 14 -6.248 5.364 -1.011 111 H ALA 15 H ALA 15 -5.231 5.353 -5.488 112 HA ALA 15 HA ALA 15 -6.693 3.710 -7.212 113 1HB ALA 15 1HB ALA 15 -5.460 4.932 -9.036 114 2HB ALA 15 2HB ALA 15 -4.545 5.741 -7.763 115 3HB ALA 15 3HB ALA 15 -6.293 5.952 -7.862 116 H TYR 16 H TYR 16 -3.387 3.530 -6.143 117 HA TYR 16 HA TYR 16 -2.637 1.615 -8.180 118 1HB TYR 16 1HB TYR 16 -1.255 3.061 -5.968 119 2HB TYR 16 2HB TYR 16 -0.538 1.569 -6.560 120 HD1 TYR 16 HD1 TYR 16 0.083 1.391 -8.991 121 HD2 TYR 16 HD2 TYR 16 -1.058 5.074 -7.190 122 HE1 TYR 16 HE1 TYR 16 1.108 2.618 -10.860 123 HE2 TYR 16 HE2 TYR 16 -0.036 6.310 -9.055 124 HH TYR 16 HH TYR 16 0.611 5.967 -11.356 125 H PHE 17 H PHE 17 -3.806 1.605 -4.913 126 HA PHE 17 HA PHE 17 -2.881 -0.753 -3.869 127 1HB PHE 17 1HB PHE 17 -5.451 0.728 -3.601 128 2HB PHE 17 2HB PHE 17 -5.391 -0.911 -2.969 129 HD1 PHE 17 HD1 PHE 17 -5.881 0.112 -0.760 130 HD2 PHE 17 HD2 PHE 17 -2.285 0.937 -2.887 131 HE1 PHE 17 HE1 PHE 17 -4.850 0.947 1.312 132 HE2 PHE 17 HE2 PHE 17 -1.250 1.773 -0.817 133 HZ PHE 17 HZ PHE 17 -2.532 1.778 1.286 134 H ASN 18 H ASN 18 -5.091 -0.314 -6.507 135 HA ASN 18 HA ASN 18 -6.192 -2.917 -6.583 136 1HB ASN 18 1HB ASN 18 -5.829 -0.751 -8.644 137 2HB ASN 18 2HB ASN 18 -6.485 -2.324 -9.086 138 1HD2 ASN 18 1HD2 ASN 18 -8.274 -3.071 -7.533 139 2HD2 ASN 18 2HD2 ASN 18 -9.479 -1.880 -7.163 140 H GLU 19 H GLU 19 -3.292 -1.461 -7.972 141 HA GLU 19 HA GLU 19 -2.432 -3.550 -9.595 142 1HB GLU 19 1HB GLU 19 -1.430 -1.145 -9.088 143 2HB GLU 19 2HB GLU 19 -0.429 -2.047 -7.962 144 1HG GLU 19 1HG GLU 19 -0.227 -3.542 -10.241 145 2HG GLU 19 2HG GLU 19 -0.315 -1.897 -10.869 146 H TYR 20 H TYR 20 -1.664 -2.909 -6.187 147 HA TYR 20 HA TYR 20 -0.116 -5.147 -5.645 148 1HB TYR 20 1HB TYR 20 -0.296 -3.447 -3.989 149 2HB TYR 20 2HB TYR 20 -2.045 -3.593 -3.921 150 HD1 TYR 20 HD1 TYR 20 -3.068 -5.598 -2.845 151 HD2 TYR 20 HD2 TYR 20 1.108 -4.821 -2.655 152 HE1 TYR 20 HE1 TYR 20 -2.872 -7.162 -0.958 153 HE2 TYR 20 HE2 TYR 20 1.320 -6.383 -0.766 154 HH TYR 20 HH TYR 20 -0.635 -7.248 1.133 155 H GLN 21 H GLN 21 -3.631 -4.771 -5.394 156 HA GLN 21 HA GLN 21 -4.250 -7.346 -4.523 157 1HB GLN 21 1HB GLN 21 -5.880 -5.523 -4.530 158 2HB GLN 21 2HB GLN 21 -5.873 -5.503 -6.288 159 1HG GLN 21 1HG GLN 21 -7.170 -7.352 -6.458 160 2HG GLN 21 2HG GLN 21 -6.540 -8.066 -4.972 161 1HE2 GLN 21 1HE2 GLN 21 -7.184 -6.912 -2.947 162 2HE2 GLN 21 2HE2 GLN 21 -8.810 -6.335 -2.849 163 H ARG 22 H ARG 22 -4.453 -6.106 -7.866 164 HA ARG 22 HA ARG 22 -4.997 -8.492 -9.143 165 1HB ARG 22 1HB ARG 22 -3.341 -6.158 -10.119 166 2HB ARG 22 2HB ARG 22 -3.924 -7.457 -11.151 167 1HG ARG 22 1HG ARG 22 -6.242 -6.849 -10.534 168 2HG ARG 22 2HG ARG 22 -5.602 -5.482 -9.622 169 1HD ARG 22 1HD ARG 22 -4.909 -4.365 -11.527 170 2HD ARG 22 2HD ARG 22 -4.858 -5.839 -12.493 171 HE ARG 22 HE ARG 22 -7.491 -5.548 -11.872 172 1HH1 ARG 22 1HH1 ARG 22 -5.093 -3.504 -13.353 173 2HH1 ARG 22 2HH1 ARG 22 -6.236 -2.659 -14.343 174 1HH2 ARG 22 1HH2 ARG 22 -9.007 -4.440 -13.171 175 2HH2 ARG 22 2HH2 ARG 22 -8.461 -3.190 -14.239 176 H ARG 23 H ARG 23 -1.816 -7.059 -8.469 177 HA ARG 23 HA ARG 23 -0.280 -9.104 -9.604 178 1HB ARG 23 1HB ARG 23 0.197 -6.782 -7.951 179 2HB ARG 23 2HB ARG 23 1.288 -8.117 -7.577 180 1HG ARG 23 1HG ARG 23 2.451 -7.166 -9.265 181 2HG ARG 23 2HG ARG 23 1.437 -8.235 -10.216 182 1HD ARG 23 1HD ARG 23 -0.159 -6.396 -10.541 183 2HD ARG 23 2HD ARG 23 0.928 -5.317 -9.666 184 HE ARG 23 HE ARG 23 2.279 -5.207 -11.524 185 1HH1 ARG 23 1HH1 ARG 23 -0.061 -7.757 -11.927 186 2HH1 ARG 23 2HH1 ARG 23 0.310 -8.008 -13.600 187 1HH2 ARG 23 1HH2 ARG 23 2.774 -5.532 -13.727 188 2HH2 ARG 23 2HH2 ARG 23 1.920 -6.744 -14.622 189 H VAL 24 H VAL 24 -0.764 -8.499 -6.119 190 HA VAL 24 HA VAL 24 0.335 -10.799 -5.116 191 HB VAL 24 HB VAL 24 -2.137 -9.418 -4.056 192 1HG1 VAL 24 1HG1 VAL 24 -0.332 -11.515 -2.941 193 2HG1 VAL 24 2HG1 VAL 24 -2.087 -11.372 -2.843 194 3HG1 VAL 24 3HG1 VAL 24 -1.061 -10.333 -1.854 195 1HG2 VAL 24 1HG2 VAL 24 0.539 -8.507 -4.295 196 2HG2 VAL 24 2HG2 VAL 24 0.216 -8.804 -2.586 197 3HG2 VAL 24 3HG2 VAL 24 -0.824 -7.716 -3.504 198 H ALA 25 H ALA 25 -2.807 -10.391 -6.610 199 HA ALA 25 HA ALA 25 -4.009 -12.794 -5.818 200 1HB ALA 25 1HB ALA 25 -5.447 -12.504 -7.805 201 2HB ALA 25 2HB ALA 25 -4.388 -11.203 -8.351 202 3HB ALA 25 3HB ALA 25 -5.295 -11.030 -6.848 203 H ASP 26 H ASP 26 -2.245 -12.047 -8.828 204 HA ASP 26 HA ASP 26 -2.298 -14.670 -9.846 205 1HB ASP 26 1HB ASP 26 -0.559 -12.275 -10.389 206 2HB ASP 26 2HB ASP 26 -0.260 -13.815 -11.190 207 H GLY 27 H GLY 27 0.051 -12.966 -7.823 208 1HA GLY 27 1HA GLY 27 1.076 -14.489 -6.115 209 2HA GLY 27 2HA GLY 27 1.465 -15.536 -7.470 210 H GLU 28 H GLU 28 1.734 -12.035 -7.605 211 HA GLU 28 HA GLU 28 4.590 -12.341 -8.079 212 1HB GLU 28 1HB GLU 28 2.743 -9.984 -8.499 213 2HB GLU 28 2HB GLU 28 4.457 -9.995 -8.878 214 1HG GLU 28 1HG GLU 28 4.150 -11.044 -10.800 215 2HG GLU 28 2HG GLU 28 3.058 -12.218 -10.076 216 H ASP 29 H ASP 29 6.138 -10.979 -7.054 217 HA ASP 29 HA ASP 29 5.788 -10.739 -4.270 218 1HB ASP 29 1HB ASP 29 7.943 -9.286 -4.489 219 2HB ASP 29 2HB ASP 29 8.018 -11.008 -4.859 220 HA PRO 30 HA PRO 30 3.315 -6.955 -4.445 221 1HB PRO 30 1HB PRO 30 3.955 -7.047 -1.541 222 2HB PRO 30 2HB PRO 30 2.402 -6.825 -2.349 223 1HG PRO 30 1HG PRO 30 3.019 -9.155 -1.209 224 2HG PRO 30 2HG PRO 30 2.124 -9.092 -2.740 225 1HD PRO 30 1HD PRO 30 4.993 -9.754 -2.248 226 2HD PRO 30 2HD PRO 30 3.864 -10.431 -3.439 227 H LYS 31 H LYS 31 6.345 -7.364 -2.643 228 HA LYS 31 HA LYS 31 7.031 -4.733 -2.181 229 1HB LYS 31 1HB LYS 31 8.382 -7.259 -2.251 230 2HB LYS 31 2HB LYS 31 9.388 -6.046 -3.028 231 1HG LYS 31 1HG LYS 31 9.793 -4.949 -1.103 232 2HG LYS 31 2HG LYS 31 8.167 -5.236 -0.474 233 1HD LYS 31 1HD LYS 31 8.750 -7.193 0.517 234 2HD LYS 31 2HD LYS 31 9.929 -7.600 -0.731 235 1HE LYS 31 1HE LYS 31 11.299 -7.170 1.067 236 2HE LYS 31 2HE LYS 31 11.263 -5.599 0.268 237 1HZ LYS 31 1HZ LYS 31 9.977 -4.692 1.900 238 2HZ LYS 31 2HZ LYS 31 10.850 -5.810 2.823 239 3HZ LYS 31 3HZ LYS 31 9.267 -6.163 2.340 240 H ASP 32 H ASP 32 7.442 -6.656 -5.119 241 HA ASP 32 HA ASP 32 8.721 -4.680 -6.680 242 1HB ASP 32 1HB ASP 32 7.655 -7.292 -7.079 243 2HB ASP 32 2HB ASP 32 6.985 -6.241 -8.323 244 H VAL 33 H VAL 33 5.337 -5.527 -6.144 245 HA VAL 33 HA VAL 33 4.147 -3.732 -7.912 246 HB VAL 33 HB VAL 33 3.077 -4.620 -5.226 247 1HG1 VAL 33 1HG1 VAL 33 1.119 -3.643 -5.714 248 2HG1 VAL 33 2HG1 VAL 33 1.207 -4.089 -7.418 249 3HG1 VAL 33 3HG1 VAL 33 2.067 -2.664 -6.833 250 1HG2 VAL 33 1HG2 VAL 33 1.799 -6.254 -6.749 251 2HG2 VAL 33 2HG2 VAL 33 3.485 -6.607 -6.370 252 3HG2 VAL 33 3HG2 VAL 33 3.060 -5.906 -7.930 253 H LEU 34 H LEU 34 5.073 -3.318 -4.500 254 HA LEU 34 HA LEU 34 4.087 -0.794 -4.024 255 1HB LEU 34 1HB LEU 34 6.524 -2.225 -3.048 256 2HB LEU 34 2HB LEU 34 6.270 -0.553 -2.603 257 HG LEU 34 HG LEU 34 5.479 -2.261 -0.920 258 1HD1 LEU 34 1HD1 LEU 34 3.084 -0.717 -1.693 259 2HD1 LEU 34 2HD1 LEU 34 4.571 0.203 -1.458 260 3HD1 LEU 34 3HD1 LEU 34 3.937 -0.799 -0.153 261 1HD2 LEU 34 1HD2 LEU 34 3.144 -3.130 -1.453 262 2HD2 LEU 34 2HD2 LEU 34 4.507 -3.948 -2.216 263 3HD2 LEU 34 3HD2 LEU 34 3.536 -2.800 -3.139 264 H ASP 35 H ASP 35 7.007 -1.726 -5.746 265 HA ASP 35 HA ASP 35 8.071 0.862 -6.069 266 1HB ASP 35 1HB ASP 35 9.102 -1.511 -6.571 267 2HB ASP 35 2HB ASP 35 8.427 -1.240 -8.174 268 H ASP 36 H ASP 36 5.655 -0.992 -7.771 269 HA ASP 36 HA ASP 36 5.378 0.906 -9.933 270 1HB ASP 36 1HB ASP 36 3.887 -1.587 -9.116 271 2HB ASP 36 2HB ASP 36 3.305 -0.549 -10.413 272 H LEU 37 H LEU 37 3.622 -0.021 -7.016 273 HA LEU 37 HA LEU 37 1.327 1.472 -7.195 274 1HB LEU 37 1HB LEU 37 3.086 0.658 -4.929 275 2HB LEU 37 2HB LEU 37 1.781 1.780 -4.608 276 HG LEU 37 HG LEU 37 0.906 -0.561 -6.119 277 1HD1 LEU 37 1HD1 LEU 37 2.239 -0.893 -3.454 278 2HD1 LEU 37 2HD1 LEU 37 2.439 -1.853 -4.920 279 3HD1 LEU 37 3HD1 LEU 37 0.949 -1.970 -3.986 280 1HD2 LEU 37 1HD2 LEU 37 -0.153 0.082 -3.446 281 2HD2 LEU 37 2HD2 LEU 37 -0.998 -0.229 -4.962 282 3HD2 LEU 37 3HD2 LEU 37 -0.283 1.355 -4.660 283 H GLY 38 H GLY 38 4.452 2.535 -5.875 284 1HA GLY 38 1HA GLY 38 5.416 4.645 -6.250 285 2HA GLY 38 2HA GLY 38 3.841 5.267 -6.718 286 H LEU 39 H LEU 39 5.232 3.706 -3.829 287 HA LEU 39 HA LEU 39 4.041 5.871 -2.226 288 1HB LEU 39 1HB LEU 39 4.680 3.268 -0.954 289 2HB LEU 39 2HB LEU 39 3.373 4.386 -0.622 290 HG LEU 39 HG LEU 39 2.421 3.603 -2.897 291 1HD1 LEU 39 1HD1 LEU 39 4.712 1.825 -2.542 292 2HD1 LEU 39 2HD1 LEU 39 3.791 2.221 -3.994 293 3HD1 LEU 39 3HD1 LEU 39 3.194 0.993 -2.879 294 1HD2 LEU 39 1HD2 LEU 39 1.658 3.081 -0.495 295 2HD2 LEU 39 2HD2 LEU 39 2.396 1.503 -0.771 296 3HD2 LEU 39 3HD2 LEU 39 1.082 2.057 -1.809 297 H LYS 40 H LYS 40 5.787 7.218 -2.057 298 HA LYS 40 HA LYS 40 8.450 6.507 -1.730 299 1HB LYS 40 1HB LYS 40 6.832 8.931 -1.301 300 2HB LYS 40 2HB LYS 40 8.308 8.856 -0.346 301 1HG LYS 40 1HG LYS 40 8.531 8.209 -3.225 302 2HG LYS 40 2HG LYS 40 8.228 9.893 -2.790 303 1HD LYS 40 1HD LYS 40 10.189 9.253 -1.031 304 2HD LYS 40 2HD LYS 40 10.630 8.240 -2.407 305 1HE LYS 40 1HE LYS 40 11.748 10.171 -2.931 306 2HE LYS 40 2HE LYS 40 10.218 10.444 -3.765 307 1HZ LYS 40 1HZ LYS 40 10.985 11.522 -1.107 308 2HZ LYS 40 2HZ LYS 40 9.473 11.733 -1.835 309 3HZ LYS 40 3HZ LYS 40 10.856 12.401 -2.546 310 H ARG 41 H ARG 41 9.830 6.508 0.113 311 HA ARG 41 HA ARG 41 10.458 5.874 2.205 312 1HB ARG 41 1HB ARG 41 7.773 7.019 3.000 313 2HB ARG 41 2HB ARG 41 9.088 6.635 4.103 314 1HG ARG 41 1HG ARG 41 9.813 8.440 1.907 315 2HG ARG 41 2HG ARG 41 8.623 9.082 3.042 316 1HD ARG 41 1HD ARG 41 10.486 9.701 4.169 317 2HD ARG 41 2HD ARG 41 10.366 8.054 4.789 318 HE ARG 41 HE ARG 41 11.896 8.074 2.422 319 1HH1 ARG 41 1HH1 ARG 41 12.057 9.031 5.767 320 2HH1 ARG 41 2HH1 ARG 41 13.779 8.874 5.864 321 1HH2 ARG 41 1HH2 ARG 41 14.164 7.862 2.539 322 2HH2 ARG 41 2HH2 ARG 41 14.977 8.208 4.028 323 H TYR 42 H TYR 42 10.439 4.009 3.360 324 HA TYR 42 HA TYR 42 8.555 1.989 2.572 325 1HB TYR 42 1HB TYR 42 9.940 0.451 3.745 326 2HB TYR 42 2HB TYR 42 11.027 1.610 2.987 327 HD1 TYR 42 HD1 TYR 42 12.613 2.749 4.271 328 HD2 TYR 42 HD2 TYR 42 9.353 0.827 6.216 329 HE1 TYR 42 HE1 TYR 42 13.655 3.201 6.453 330 HE2 TYR 42 HE2 TYR 42 10.386 1.274 8.402 331 HH TYR 42 HH TYR 42 12.574 1.742 9.342 332 H CYS 43 H CYS 43 8.758 4.261 5.125 333 HA CYS 43 HA CYS 43 7.602 3.042 7.289 334 1HB CYS 43 1HB CYS 43 6.604 5.271 7.816 335 2HB CYS 43 2HB CYS 43 8.311 5.347 7.393 336 H CYS 44 H CYS 44 6.159 3.830 4.244 337 HA CYS 44 HA CYS 44 3.441 3.362 5.169 338 1HB CYS 44 1HB CYS 44 4.141 3.540 2.268 339 2HB CYS 44 2HB CYS 44 2.735 4.169 3.121 340 H ARG 45 H ARG 45 5.622 1.908 2.748 341 HA ARG 45 HA ARG 45 4.143 -0.258 2.000 342 1HB ARG 45 1HB ARG 45 7.115 -0.340 2.531 343 2HB ARG 45 2HB ARG 45 6.218 -1.404 1.461 344 1HG ARG 45 1HG ARG 45 6.089 0.131 -0.197 345 2HG ARG 45 2HG ARG 45 6.049 1.500 0.915 346 1HD ARG 45 1HD ARG 45 8.202 1.840 0.487 347 2HD ARG 45 2HD ARG 45 8.553 0.298 1.269 348 HE ARG 45 HE ARG 45 7.774 0.095 -1.502 349 1HH1 ARG 45 1HH1 ARG 45 10.416 0.446 0.745 350 2HH1 ARG 45 2HH1 ARG 45 11.601 -0.173 -0.356 351 1HH2 ARG 45 1HH2 ARG 45 9.329 -0.718 -2.955 352 2HH2 ARG 45 2HH2 ARG 45 10.983 -0.834 -2.458 353 H ARG 46 H ARG 46 6.479 -0.244 4.702 354 HA ARG 46 HA ARG 46 6.328 -2.743 5.670 355 1HB ARG 46 1HB ARG 46 6.749 -1.887 7.889 356 2HB ARG 46 2HB ARG 46 7.601 -0.887 6.718 357 1HG ARG 46 1HG ARG 46 5.661 0.714 6.850 358 2HG ARG 46 2HG ARG 46 5.080 -0.236 8.219 359 1HD ARG 46 1HD ARG 46 7.234 0.160 9.362 360 2HD ARG 46 2HD ARG 46 7.731 1.187 8.018 361 HE ARG 46 HE ARG 46 5.424 2.327 8.774 362 1HH1 ARG 46 1HH1 ARG 46 8.220 1.307 10.588 363 2HH1 ARG 46 2HH1 ARG 46 8.030 2.520 11.810 364 1HH2 ARG 46 1HH2 ARG 46 5.166 3.927 10.380 365 2HH2 ARG 46 2HH2 ARG 46 6.294 4.008 11.691 366 H MET 47 H MET 47 3.898 -0.244 6.309 367 HA MET 47 HA MET 47 2.224 -2.054 7.795 368 1HB MET 47 1HB MET 47 1.657 0.716 6.725 369 2HB MET 47 2HB MET 47 0.636 -0.170 7.847 370 1HG MET 47 1HG MET 47 2.560 -0.199 9.442 371 2HG MET 47 2HG MET 47 3.409 0.880 8.336 372 1HE MET 47 1HE MET 47 0.044 2.177 7.674 373 2HE MET 47 2HE MET 47 1.619 2.835 7.221 374 3HE MET 47 3HE MET 47 0.544 3.758 8.274 375 H LEU 48 H LEU 48 2.462 -0.845 4.539 376 HA LEU 48 HA LEU 48 -0.110 -1.793 3.721 377 1HB LEU 48 1HB LEU 48 2.222 -0.966 1.997 378 2HB LEU 48 2HB LEU 48 0.547 -1.106 1.493 379 HG LEU 48 HG LEU 48 1.212 0.751 3.718 380 1HD1 LEU 48 1HD1 LEU 48 2.235 2.320 2.483 381 2HD1 LEU 48 2HD1 LEU 48 1.287 1.949 1.045 382 3HD1 LEU 48 3HD1 LEU 48 2.687 0.959 1.457 383 1HD2 LEU 48 1HD2 LEU 48 -0.932 0.350 1.731 384 2HD2 LEU 48 2HD2 LEU 48 -0.563 2.016 2.181 385 3HD2 LEU 48 3HD2 LEU 48 -1.022 0.848 3.421 386 H ILE 49 H ILE 49 3.096 -2.660 2.396 387 HA ILE 49 HA ILE 49 2.410 -4.880 1.002 388 HB ILE 49 HB ILE 49 4.701 -5.867 1.717 389 1HG1 ILE 49 1HG1 ILE 49 5.445 -3.104 2.458 390 2HG1 ILE 49 2HG1 ILE 49 4.583 -4.028 3.687 391 1HG2 ILE 49 1HG2 ILE 49 5.844 -4.123 0.277 392 2HG2 ILE 49 2HG2 ILE 49 4.285 -3.300 0.221 393 3HG2 ILE 49 3HG2 ILE 49 4.442 -4.934 -0.424 394 1HD1 ILE 49 1HD1 ILE 49 6.970 -5.171 2.301 395 2HD1 ILE 49 2HD1 ILE 49 6.274 -5.603 3.862 396 3HD1 ILE 49 3HD1 ILE 49 7.143 -4.081 3.677 397 H SER 50 H SER 50 2.660 -4.668 4.469 398 HA SER 50 HA SER 50 2.489 -7.509 4.887 399 1HB SER 50 1HB SER 50 3.319 -5.397 6.440 400 2HB SER 50 2HB SER 50 1.748 -5.781 7.144 401 HG SER 50 HG SER 50 3.813 -7.670 6.671 402 H HIS 51 H HIS 51 0.323 -4.919 6.028 403 HA HIS 51 HA HIS 51 -1.898 -6.780 6.009 404 1HB HIS 51 1HB HIS 51 -1.677 -5.330 7.930 405 2HB HIS 51 2HB HIS 51 -1.673 -3.900 6.903 406 HD2 HIS 51 HD2 HIS 51 -4.049 -2.705 6.797 407 HE1 HIS 51 HE1 HIS 51 -6.422 -6.093 7.696 408 HE2 HIS 51 HE2 HIS 51 -6.448 -3.603 7.216 409 H VAL 52 H VAL 52 -1.891 -3.374 5.038 410 HA VAL 52 HA VAL 52 -3.247 -2.313 3.519 411 HB VAL 52 HB VAL 52 -1.068 -2.749 2.395 412 1HG1 VAL 52 1HG1 VAL 52 -1.570 -5.255 2.190 413 2HG1 VAL 52 2HG1 VAL 52 -0.737 -4.450 0.860 414 3HG1 VAL 52 3HG1 VAL 52 -2.459 -4.805 0.733 415 1HG2 VAL 52 1HG2 VAL 52 -2.720 -1.242 1.453 416 2HG2 VAL 52 2HG2 VAL 52 -3.486 -2.591 0.612 417 3HG2 VAL 52 3HG2 VAL 52 -1.850 -2.098 0.179 418 H GLU 53 H GLU 53 -5.364 -2.764 3.801 419 HA GLU 53 HA GLU 53 -6.607 -5.214 3.188 420 1HB GLU 53 1HB GLU 53 -7.356 -2.790 4.368 421 2HB GLU 53 2HB GLU 53 -8.419 -2.964 2.978 422 1HG GLU 53 1HG GLU 53 -8.785 -5.364 3.880 423 2HG GLU 53 2HG GLU 53 -8.149 -4.703 5.385 424 H THR 54 H THR 54 -5.687 -2.552 1.203 425 HA THR 54 HA THR 54 -6.018 -2.048 -1.001 426 HB THR 54 HB THR 54 -6.360 -4.264 -2.426 427 HG1 THR 54 HG1 THR 54 -6.365 -5.991 -1.214 428 1HG2 THR 54 1HG2 THR 54 -4.185 -3.999 -2.885 429 2HG2 THR 54 2HG2 THR 54 -3.707 -4.345 -1.222 430 3HG2 THR 54 3HG2 THR 54 -4.209 -2.716 -1.674 431 H TRP 55 H TRP 55 -8.088 -1.039 -0.424 432 HA TRP 55 HA TRP 55 -10.250 -0.564 -0.959 433 1HB TRP 55 1HB TRP 55 -9.448 -2.502 -2.980 434 2HB TRP 55 2HB TRP 55 -11.169 -2.601 -2.616 435 HD1 TRP 55 HD1 TRP 55 -9.463 -1.274 -5.254 436 HE1 TRP 55 HE1 TRP 55 -10.326 1.009 -6.077 437 HE3 TRP 55 HE3 TRP 55 -12.098 0.144 -1.107 438 HZ2 TRP 55 HZ2 TRP 55 -11.913 3.126 -5.098 439 HZ3 TRP 55 HZ3 TRP 55 -13.259 2.312 -1.132 440 HH2 TRP 55 HH2 TRP 55 -13.168 3.772 -3.087 Start of MODEL 8 1 H MET 1 H MET 1 -4.557 11.260 2.492 2 HA MET 1 HA MET 1 -5.734 8.626 2.903 3 1HB MET 1 1HB MET 1 -3.226 9.166 1.454 4 2HB MET 1 2HB MET 1 -3.145 7.871 2.620 5 1HG MET 1 1HG MET 1 -5.454 7.851 0.787 6 2HG MET 1 2HG MET 1 -3.873 7.527 0.077 7 1HE MET 1 1HE MET 1 -5.236 6.922 3.553 8 2HE MET 1 2HE MET 1 -5.368 5.174 3.718 9 3HE MET 1 3HE MET 1 -6.569 6.068 2.787 10 H ILE 2 H ILE 2 -3.614 7.470 4.354 11 HA ILE 2 HA ILE 2 -2.797 7.377 6.452 12 HB ILE 2 HB ILE 2 -2.606 10.384 6.317 13 1HG1 ILE 2 1HG1 ILE 2 -0.203 9.944 5.830 14 2HG1 ILE 2 2HG1 ILE 2 -0.567 8.227 5.727 15 1HG2 ILE 2 1HG2 ILE 2 -2.509 9.689 8.593 16 2HG2 ILE 2 2HG2 ILE 2 -0.849 9.989 8.081 17 3HG2 ILE 2 3HG2 ILE 2 -1.449 8.334 8.199 18 1HD1 ILE 2 1HD1 ILE 2 -1.643 8.438 3.714 19 2HD1 ILE 2 2HD1 ILE 2 -0.375 9.654 3.574 20 3HD1 ILE 2 3HD1 ILE 2 -2.022 10.142 3.973 21 HA PRO 3 HA PRO 3 -6.907 8.573 8.180 22 1HB PRO 3 1HB PRO 3 -8.216 6.306 7.983 23 2HB PRO 3 2HB PRO 3 -7.903 7.229 6.503 24 1HG PRO 3 1HG PRO 3 -6.393 4.877 7.624 25 2HG PRO 3 2HG PRO 3 -6.980 5.126 5.964 26 1HD PRO 3 1HD PRO 3 -4.408 5.693 6.816 27 2HD PRO 3 2HD PRO 3 -5.192 6.457 5.421 28 H VAL 4 H VAL 4 -4.263 7.117 9.117 29 HA VAL 4 HA VAL 4 -4.317 6.941 11.741 30 HB VAL 4 HB VAL 4 -6.075 4.785 10.693 31 1HG1 VAL 4 1HG1 VAL 4 -4.202 3.413 11.478 32 2HG1 VAL 4 2HG1 VAL 4 -5.577 3.260 12.574 33 3HG1 VAL 4 3HG1 VAL 4 -4.203 4.270 13.023 34 1HG2 VAL 4 1HG2 VAL 4 -7.435 5.475 12.346 35 2HG2 VAL 4 2HG2 VAL 4 -6.365 6.876 12.416 36 3HG2 VAL 4 3HG2 VAL 4 -6.132 5.532 13.535 37 H ARG 5 H ARG 5 -3.589 5.325 8.763 38 HA ARG 5 HA ARG 5 -0.964 4.546 9.835 39 1HB ARG 5 1HB ARG 5 -3.017 2.847 8.882 40 2HB ARG 5 2HB ARG 5 -1.751 2.845 7.657 41 1HG ARG 5 1HG ARG 5 -0.807 1.254 8.906 42 2HG ARG 5 2HG ARG 5 -0.324 2.571 9.976 43 1HD ARG 5 1HD ARG 5 -1.464 0.617 11.086 44 2HD ARG 5 2HD ARG 5 -2.156 2.204 11.419 45 HE ARG 5 HE ARG 5 -3.392 0.804 9.223 46 1HH1 ARG 5 1HH1 ARG 5 -3.390 1.351 12.663 47 2HH1 ARG 5 2HH1 ARG 5 -5.045 0.883 12.870 48 1HH2 ARG 5 1HH2 ARG 5 -5.571 0.186 9.484 49 2HH2 ARG 5 2HH2 ARG 5 -6.285 0.220 11.061 50 H CYS 6 H CYS 6 0.778 4.951 8.556 51 HA CYS 6 HA CYS 6 0.636 6.906 6.561 52 1HB CYS 6 1HB CYS 6 2.687 5.433 7.891 53 2HB CYS 6 2HB CYS 6 3.002 5.382 6.159 54 H LEU 7 H LEU 7 -0.596 6.551 4.837 55 HA LEU 7 HA LEU 7 0.042 4.248 3.131 56 1HB LEU 7 1HB LEU 7 -2.638 5.490 3.720 57 2HB LEU 7 2HB LEU 7 -2.377 4.389 2.391 58 HG LEU 7 HG LEU 7 -2.872 2.679 3.726 59 1HD1 LEU 7 1HD1 LEU 7 -0.918 3.424 5.852 60 2HD1 LEU 7 2HD1 LEU 7 -0.351 2.835 4.290 61 3HD1 LEU 7 3HD1 LEU 7 -1.399 1.830 5.281 62 1HD2 LEU 7 1HD2 LEU 7 -4.262 3.237 5.352 63 2HD2 LEU 7 2HD2 LEU 7 -3.707 4.904 5.198 64 3HD2 LEU 7 3HD2 LEU 7 -2.933 3.817 6.356 65 H SER 8 H SER 8 1.240 6.810 3.027 66 HA SER 8 HA SER 8 0.953 7.407 0.289 67 1HB SER 8 1HB SER 8 -1.031 8.617 1.800 68 2HB SER 8 2HB SER 8 0.178 9.888 1.620 69 HG SER 8 HG SER 8 -1.221 9.954 -0.129 70 H CYS 9 H CYS 9 1.500 9.640 3.009 71 HA CYS 9 HA CYS 9 3.373 10.698 3.759 72 1HB CYS 9 1HB CYS 9 4.340 8.199 2.774 73 2HB CYS 9 2HB CYS 9 5.489 9.452 2.321 74 H GLY 10 H GLY 10 2.061 11.141 0.980 75 1HA GLY 10 1HA GLY 10 2.747 13.462 0.119 76 2HA GLY 10 2HA GLY 10 4.267 12.658 -0.247 77 H LYS 11 H LYS 11 2.912 10.156 -0.964 78 HA LYS 11 HA LYS 11 1.739 10.987 -3.530 79 1HB LYS 11 1HB LYS 11 3.973 9.206 -2.926 80 2HB LYS 11 2HB LYS 11 2.778 8.477 -3.993 81 1HG LYS 11 1HG LYS 11 4.478 9.530 -5.314 82 2HG LYS 11 2HG LYS 11 2.981 10.453 -5.475 83 1HD LYS 11 1HD LYS 11 4.171 11.638 -3.321 84 2HD LYS 11 2HD LYS 11 5.557 11.234 -4.335 85 1HE LYS 11 1HE LYS 11 5.122 13.020 -5.580 86 2HE LYS 11 2HE LYS 11 3.595 12.277 -6.057 87 1HZ LYS 11 1HZ LYS 11 2.476 13.357 -4.286 88 2HZ LYS 11 2HZ LYS 11 3.401 14.538 -5.067 89 3HZ LYS 11 3HZ LYS 11 3.923 13.894 -3.593 90 HA PRO 12 HA PRO 12 -1.807 8.777 -1.908 91 1HB PRO 12 1HB PRO 12 -2.577 8.749 -4.773 92 2HB PRO 12 2HB PRO 12 -3.489 9.302 -3.365 93 1HG PRO 12 1HG PRO 12 -2.406 11.051 -5.064 94 2HG PRO 12 2HG PRO 12 -2.421 11.362 -3.317 95 1HD PRO 12 1HD PRO 12 -0.174 10.451 -5.066 96 2HD PRO 12 2HD PRO 12 -0.147 11.569 -3.686 97 H VAL 13 H VAL 13 -2.005 6.677 -1.522 98 HA VAL 13 HA VAL 13 -0.683 4.777 -3.307 99 HB VAL 13 HB VAL 13 -0.739 3.200 -1.528 100 1HG1 VAL 13 1HG1 VAL 13 0.311 4.551 0.345 101 2HG1 VAL 13 2HG1 VAL 13 -0.065 5.987 -0.609 102 3HG1 VAL 13 3HG1 VAL 13 1.022 4.760 -1.257 103 1HG2 VAL 13 1HG2 VAL 13 -2.975 3.497 -0.689 104 2HG2 VAL 13 2HG2 VAL 13 -2.590 5.119 -0.112 105 3HG2 VAL 13 3HG2 VAL 13 -1.841 3.712 0.646 106 H SER 14 H SER 14 -3.829 5.846 -2.390 107 HA SER 14 HA SER 14 -5.414 3.623 -2.879 108 1HB SER 14 1HB SER 14 -6.314 6.266 -3.937 109 2HB SER 14 2HB SER 14 -7.201 5.082 -2.971 110 HG SER 14 HG SER 14 -6.770 6.473 -1.437 111 H ALA 15 H ALA 15 -6.789 3.241 -4.849 112 HA ALA 15 HA ALA 15 -7.014 2.788 -7.080 113 1HB ALA 15 1HB ALA 15 -6.339 4.326 -8.653 114 2HB ALA 15 2HB ALA 15 -4.829 4.683 -7.815 115 3HB ALA 15 3HB ALA 15 -6.354 5.319 -7.195 116 H TYR 16 H TYR 16 -3.551 3.547 -6.597 117 HA TYR 16 HA TYR 16 -2.482 1.546 -8.162 118 1HB TYR 16 1HB TYR 16 -1.510 3.015 -5.729 119 2HB TYR 16 2HB TYR 16 -0.548 1.719 -6.421 120 HD1 TYR 16 HD1 TYR 16 -1.360 5.174 -6.601 121 HD2 TYR 16 HD2 TYR 16 0.054 1.897 -8.914 122 HE1 TYR 16 HE1 TYR 16 -0.423 6.747 -8.243 123 HE2 TYR 16 HE2 TYR 16 0.995 3.459 -10.564 124 HH TYR 16 HH TYR 16 1.792 5.862 -10.578 125 H PHE 17 H PHE 17 -3.980 1.369 -5.037 126 HA PHE 17 HA PHE 17 -2.955 -0.976 -3.992 127 1HB PHE 17 1HB PHE 17 -5.590 0.400 -3.838 128 2HB PHE 17 2HB PHE 17 -5.521 -1.269 -3.283 129 HD1 PHE 17 HD1 PHE 17 -6.136 -0.496 -1.038 130 HD2 PHE 17 HD2 PHE 17 -2.537 0.779 -2.923 131 HE1 PHE 17 HE1 PHE 17 -5.267 0.256 1.136 132 HE2 PHE 17 HE2 PHE 17 -1.664 1.532 -0.751 133 HZ PHE 17 HZ PHE 17 -3.028 1.271 1.282 134 H ASN 18 H ASN 18 -4.958 -0.484 -6.770 135 HA ASN 18 HA ASN 18 -5.994 -3.080 -7.092 136 1HB ASN 18 1HB ASN 18 -6.445 -0.814 -8.393 137 2HB ASN 18 2HB ASN 18 -5.210 -1.451 -9.475 138 1HD2 ASN 18 1HD2 ASN 18 -6.111 -2.329 -11.178 139 2HD2 ASN 18 2HD2 ASN 18 -7.527 -3.329 -11.185 140 H GLU 19 H GLU 19 -2.901 -1.613 -7.926 141 HA GLU 19 HA GLU 19 -1.896 -3.684 -9.535 142 1HB GLU 19 1HB GLU 19 -0.655 -1.501 -7.881 143 2HB GLU 19 2HB GLU 19 0.345 -2.712 -8.629 144 1HG GLU 19 1HG GLU 19 0.384 -0.997 -10.154 145 2HG GLU 19 2HG GLU 19 -0.830 -2.095 -10.808 146 H TYR 20 H TYR 20 -1.403 -2.935 -6.099 147 HA TYR 20 HA TYR 20 0.070 -5.191 -5.401 148 1HB TYR 20 1HB TYR 20 -0.165 -3.353 -3.857 149 2HB TYR 20 2HB TYR 20 -1.908 -3.570 -3.786 150 HD1 TYR 20 HD1 TYR 20 1.283 -4.595 -2.459 151 HD2 TYR 20 HD2 TYR 20 -2.844 -5.603 -2.664 152 HE1 TYR 20 HE1 TYR 20 1.559 -6.090 -0.524 153 HE2 TYR 20 HE2 TYR 20 -2.584 -7.097 -0.729 154 HH TYR 20 HH TYR 20 0.455 -8.035 0.474 155 H GLN 21 H GLN 21 -3.435 -4.681 -5.379 156 HA GLN 21 HA GLN 21 -4.142 -7.241 -4.438 157 1HB GLN 21 1HB GLN 21 -5.740 -5.427 -4.381 158 2HB GLN 21 2HB GLN 21 -5.680 -5.266 -6.130 159 1HG GLN 21 1HG GLN 21 -6.912 -7.179 -6.487 160 2HG GLN 21 2HG GLN 21 -6.539 -7.841 -4.896 161 1HE2 GLN 21 1HE2 GLN 21 -7.537 -6.827 -3.045 162 2HE2 GLN 21 2HE2 GLN 21 -9.085 -6.081 -3.214 163 H ARG 22 H ARG 22 -4.047 -5.933 -7.746 164 HA ARG 22 HA ARG 22 -4.807 -8.223 -9.114 165 1HB ARG 22 1HB ARG 22 -4.617 -6.071 -10.222 166 2HB ARG 22 2HB ARG 22 -2.881 -6.046 -9.945 167 1HG ARG 22 1HG ARG 22 -3.158 -6.650 -12.195 168 2HG ARG 22 2HG ARG 22 -2.764 -8.149 -11.347 169 1HD ARG 22 1HD ARG 22 -4.965 -8.928 -11.457 170 2HD ARG 22 2HD ARG 22 -5.608 -7.325 -11.812 171 HE ARG 22 HE ARG 22 -3.837 -8.299 -13.844 172 1HH1 ARG 22 1HH1 ARG 22 -7.108 -8.362 -12.654 173 2HH1 ARG 22 2HH1 ARG 22 -7.800 -8.747 -14.194 174 1HH2 ARG 22 1HH2 ARG 22 -4.735 -8.805 -15.879 175 2HH2 ARG 22 2HH2 ARG 22 -6.450 -9.000 -16.029 176 H ARG 23 H ARG 23 -1.525 -7.138 -8.276 177 HA ARG 23 HA ARG 23 -0.223 -9.393 -9.373 178 1HB ARG 23 1HB ARG 23 0.512 -7.037 -7.809 179 2HB ARG 23 2HB ARG 23 1.475 -8.453 -7.407 180 1HG ARG 23 1HG ARG 23 2.557 -7.145 -9.133 181 2HG ARG 23 2HG ARG 23 2.067 -8.716 -9.767 182 1HD ARG 23 1HD ARG 23 0.794 -7.768 -11.320 183 2HD ARG 23 2HD ARG 23 -0.038 -6.786 -10.116 184 HE ARG 23 HE ARG 23 1.324 -5.015 -10.652 185 1HH1 ARG 23 1HH1 ARG 23 2.576 -7.931 -12.087 186 2HH1 ARG 23 2HH1 ARG 23 3.745 -7.104 -13.063 187 1HH2 ARG 23 1HH2 ARG 23 2.862 -3.916 -11.934 188 2HH2 ARG 23 2HH2 ARG 23 3.907 -4.823 -12.975 189 H VAL 24 H VAL 24 -0.557 -8.527 -5.916 190 HA VAL 24 HA VAL 24 0.264 -10.881 -4.792 191 HB VAL 24 HB VAL 24 -2.035 -9.189 -3.794 192 1HG1 VAL 24 1HG1 VAL 24 -2.217 -10.826 -2.277 193 2HG1 VAL 24 2HG1 VAL 24 -0.720 -10.178 -1.607 194 3HG1 VAL 24 3HG1 VAL 24 -0.668 -11.539 -2.727 195 1HG2 VAL 24 1HG2 VAL 24 0.665 -8.505 -4.150 196 2HG2 VAL 24 2HG2 VAL 24 0.447 -8.783 -2.421 197 3HG2 VAL 24 3HG2 VAL 24 -0.567 -7.611 -3.259 198 H ALA 25 H ALA 25 -2.724 -10.246 -6.445 199 HA ALA 25 HA ALA 25 -4.150 -12.528 -5.495 200 1HB ALA 25 1HB ALA 25 -5.524 -12.035 -7.648 201 2HB ALA 25 2HB ALA 25 -4.545 -10.569 -7.717 202 3HB ALA 25 3HB ALA 25 -5.558 -10.888 -6.309 203 H ASP 26 H ASP 26 -2.051 -11.864 -8.238 204 HA ASP 26 HA ASP 26 -2.516 -14.464 -9.421 205 1HB ASP 26 1HB ASP 26 -0.659 -12.186 -10.123 206 2HB ASP 26 2HB ASP 26 -0.689 -13.709 -11.009 207 H GLY 27 H GLY 27 -0.239 -12.949 -7.282 208 1HA GLY 27 1HA GLY 27 0.980 -14.453 -5.786 209 2HA GLY 27 2HA GLY 27 1.258 -15.492 -7.175 210 H GLU 28 H GLU 28 1.528 -12.019 -7.399 211 HA GLU 28 HA GLU 28 4.340 -12.315 -8.082 212 1HB GLU 28 1HB GLU 28 2.590 -9.851 -8.213 213 2HB GLU 28 2HB GLU 28 4.184 -10.044 -8.926 214 1HG GLU 28 1HG GLU 28 2.785 -12.143 -10.002 215 2HG GLU 28 2HG GLU 28 1.584 -10.855 -9.930 216 H ASP 29 H ASP 29 5.921 -10.751 -7.244 217 HA ASP 29 HA ASP 29 5.853 -10.640 -4.403 218 1HB ASP 29 1HB ASP 29 7.761 -9.973 -6.535 219 2HB ASP 29 2HB ASP 29 7.878 -8.931 -5.120 220 HA PRO 30 HA PRO 30 3.261 -6.944 -4.333 221 1HB PRO 30 1HB PRO 30 4.075 -6.973 -1.484 222 2HB PRO 30 2HB PRO 30 2.464 -6.899 -2.198 223 1HG PRO 30 1HG PRO 30 3.365 -9.146 -1.061 224 2HG PRO 30 2HG PRO 30 2.334 -9.183 -2.503 225 1HD PRO 30 1HD PRO 30 5.275 -9.618 -2.265 226 2HD PRO 30 2HD PRO 30 4.099 -10.405 -3.337 227 H LYS 31 H LYS 31 6.334 -7.158 -2.543 228 HA LYS 31 HA LYS 31 6.926 -4.486 -2.264 229 1HB LYS 31 1HB LYS 31 8.352 -6.933 -2.083 230 2HB LYS 31 2HB LYS 31 9.321 -5.823 -3.040 231 1HG LYS 31 1HG LYS 31 9.006 -4.131 -1.207 232 2HG LYS 31 2HG LYS 31 8.307 -5.433 -0.239 233 1HD LYS 31 1HD LYS 31 10.555 -5.396 0.401 234 2HD LYS 31 2HD LYS 31 10.469 -6.715 -0.768 235 1HE LYS 31 1HE LYS 31 11.580 -5.521 -2.399 236 2HE LYS 31 2HE LYS 31 11.134 -3.961 -1.707 237 1HZ LYS 31 1HZ LYS 31 13.138 -5.863 -0.619 238 2HZ LYS 31 2HZ LYS 31 12.659 -4.432 0.145 239 3HZ LYS 31 3HZ LYS 31 13.455 -4.369 -1.346 240 H ASP 32 H ASP 32 7.227 -6.525 -5.108 241 HA ASP 32 HA ASP 32 8.580 -4.665 -6.762 242 1HB ASP 32 1HB ASP 32 7.675 -7.276 -7.042 243 2HB ASP 32 2HB ASP 32 6.658 -6.369 -8.158 244 H VAL 33 H VAL 33 5.175 -5.373 -6.134 245 HA VAL 33 HA VAL 33 4.039 -3.524 -7.911 246 HB VAL 33 HB VAL 33 2.909 -4.254 -5.210 247 1HG1 VAL 33 1HG1 VAL 33 2.001 -2.531 -7.222 248 2HG1 VAL 33 2HG1 VAL 33 1.088 -3.135 -5.838 249 3HG1 VAL 33 3HG1 VAL 33 1.033 -3.995 -7.374 250 1HG2 VAL 33 1HG2 VAL 33 1.671 -6.028 -6.565 251 2HG2 VAL 33 2HG2 VAL 33 3.363 -6.342 -6.180 252 3HG2 VAL 33 3HG2 VAL 33 2.914 -5.788 -7.792 253 H LEU 34 H LEU 34 5.033 -3.213 -4.514 254 HA LEU 34 HA LEU 34 4.206 -0.663 -3.946 255 1HB LEU 34 1HB LEU 34 6.640 -2.206 -3.139 256 2HB LEU 34 2HB LEU 34 6.449 -0.545 -2.622 257 HG LEU 34 HG LEU 34 5.692 -2.342 -0.989 258 1HD1 LEU 34 1HD1 LEU 34 4.935 0.196 -1.290 259 2HD1 LEU 34 2HD1 LEU 34 4.280 -0.855 -0.034 260 3HD1 LEU 34 3HD1 LEU 34 3.373 -0.589 -1.524 261 1HD2 LEU 34 1HD2 LEU 34 3.574 -2.609 -3.098 262 2HD2 LEU 34 2HD2 LEU 34 3.281 -3.034 -1.414 263 3HD2 LEU 34 3HD2 LEU 34 4.531 -3.877 -2.328 264 H ASP 35 H ASP 35 6.935 -1.674 -5.897 265 HA ASP 35 HA ASP 35 8.117 0.879 -6.184 266 1HB ASP 35 1HB ASP 35 8.956 -1.575 -6.817 267 2HB ASP 35 2HB ASP 35 8.319 -1.116 -8.393 268 H ASP 36 H ASP 36 5.618 -0.876 -7.912 269 HA ASP 36 HA ASP 36 5.317 1.162 -9.943 270 1HB ASP 36 1HB ASP 36 4.379 -1.550 -9.503 271 2HB ASP 36 2HB ASP 36 3.059 -0.495 -9.997 272 H LEU 37 H LEU 37 3.660 0.117 -7.014 273 HA LEU 37 HA LEU 37 1.299 1.495 -7.091 274 1HB LEU 37 1HB LEU 37 3.182 0.750 -4.908 275 2HB LEU 37 2HB LEU 37 1.909 1.886 -4.520 276 HG LEU 37 HG LEU 37 0.956 -0.507 -5.921 277 1HD1 LEU 37 1HD1 LEU 37 2.590 -1.686 -4.682 278 2HD1 LEU 37 2HD1 LEU 37 1.081 -1.857 -3.786 279 3HD1 LEU 37 3HD1 LEU 37 2.309 -0.711 -3.239 280 1HD2 LEU 37 1HD2 LEU 37 -0.084 0.132 -3.276 281 2HD2 LEU 37 2HD2 LEU 37 -0.919 0.009 -4.824 282 3HD2 LEU 37 3HD2 LEU 37 -0.104 1.510 -4.379 283 H GLY 38 H GLY 38 4.283 2.760 -5.595 284 1HA GLY 38 1HA GLY 38 5.123 4.941 -6.242 285 2HA GLY 38 2HA GLY 38 3.458 5.457 -6.459 286 H LEU 39 H LEU 39 5.070 3.749 -3.785 287 HA LEU 39 HA LEU 39 4.211 5.938 -2.010 288 1HB LEU 39 1HB LEU 39 4.764 3.274 -0.844 289 2HB LEU 39 2HB LEU 39 3.552 4.461 -0.406 290 HG LEU 39 HG LEU 39 2.400 3.765 -2.621 291 1HD1 LEU 39 1HD1 LEU 39 2.953 1.146 -2.757 292 2HD1 LEU 39 2HD1 LEU 39 4.552 1.772 -2.350 293 3HD1 LEU 39 3HD1 LEU 39 3.717 2.357 -3.786 294 1HD2 LEU 39 1HD2 LEU 39 1.013 2.370 -1.445 295 2HD2 LEU 39 2HD2 LEU 39 1.823 3.232 -0.135 296 3HD2 LEU 39 3HD2 LEU 39 2.342 1.604 -0.574 297 H LYS 40 H LYS 40 6.099 7.109 -2.131 298 HA LYS 40 HA LYS 40 8.684 6.295 -2.196 299 1HB LYS 40 1HB LYS 40 7.503 8.656 -0.739 300 2HB LYS 40 2HB LYS 40 9.231 8.431 -0.965 301 1HG LYS 40 1HG LYS 40 7.210 8.650 -3.186 302 2HG LYS 40 2HG LYS 40 8.248 9.959 -2.615 303 1HD LYS 40 1HD LYS 40 9.626 9.255 -4.251 304 2HD LYS 40 2HD LYS 40 10.082 8.019 -3.077 305 1HE LYS 40 1HE LYS 40 9.527 6.555 -4.675 306 2HE LYS 40 2HE LYS 40 7.861 6.923 -4.229 307 1HZ LYS 40 1HZ LYS 40 9.078 8.737 -6.138 308 2HZ LYS 40 2HZ LYS 40 7.521 8.078 -6.110 309 3HZ LYS 40 3HZ LYS 40 8.816 7.164 -6.700 310 H ARG 41 H ARG 41 7.730 7.659 0.916 311 HA ARG 41 HA ARG 41 9.606 6.417 2.445 312 1HB ARG 41 1HB ARG 41 6.785 7.160 3.235 313 2HB ARG 41 2HB ARG 41 8.050 6.737 4.382 314 1HG ARG 41 1HG ARG 41 7.896 9.132 2.580 315 2HG ARG 41 2HG ARG 41 7.974 9.084 4.343 316 1HD ARG 41 1HD ARG 41 10.259 7.780 3.685 317 2HD ARG 41 2HD ARG 41 10.125 8.921 2.348 318 HE ARG 41 HE ARG 41 10.905 9.525 4.987 319 1HH1 ARG 41 1HH1 ARG 41 8.965 10.776 2.379 320 2HH1 ARG 41 2HH1 ARG 41 9.161 12.430 2.854 321 1HH2 ARG 41 1HH2 ARG 41 11.169 11.702 5.621 322 2HH2 ARG 41 2HH2 ARG 41 10.413 12.956 4.697 323 H TYR 42 H TYR 42 9.964 4.469 3.318 324 HA TYR 42 HA TYR 42 8.387 2.239 2.461 325 1HB TYR 42 1HB TYR 42 10.966 2.409 2.985 326 2HB TYR 42 2HB TYR 42 10.451 2.008 4.620 327 HD1 TYR 42 HD1 TYR 42 11.526 0.672 1.572 328 HD2 TYR 42 HD2 TYR 42 8.796 -0.072 4.750 329 HE1 TYR 42 HE1 TYR 42 11.481 -1.711 0.967 330 HE2 TYR 42 HE2 TYR 42 8.744 -2.457 4.153 331 HH TYR 42 HH TYR 42 10.389 -4.087 2.931 332 H CYS 43 H CYS 43 8.521 4.241 5.281 333 HA CYS 43 HA CYS 43 7.487 2.650 7.269 334 1HB CYS 43 1HB CYS 43 6.591 4.678 8.270 335 2HB CYS 43 2HB CYS 43 8.167 5.013 7.560 336 H CYS 44 H CYS 44 5.928 3.824 4.413 337 HA CYS 44 HA CYS 44 3.255 3.177 5.334 338 1HB CYS 44 1HB CYS 44 3.898 3.693 2.455 339 2HB CYS 44 2HB CYS 44 2.473 4.156 3.381 340 H ARG 45 H ARG 45 5.385 2.029 2.707 341 HA ARG 45 HA ARG 45 3.933 -0.092 1.800 342 1HB ARG 45 1HB ARG 45 6.907 -0.298 2.226 343 2HB ARG 45 2HB ARG 45 5.943 -1.038 0.958 344 1HG ARG 45 1HG ARG 45 5.415 1.333 0.203 345 2HG ARG 45 2HG ARG 45 6.735 1.833 1.262 346 1HD ARG 45 1HD ARG 45 7.534 -0.394 -0.379 347 2HD ARG 45 2HD ARG 45 6.922 0.925 -1.377 348 HE ARG 45 HE ARG 45 8.655 2.057 0.463 349 1HH1 ARG 45 1HH1 ARG 45 8.805 -0.263 -2.130 350 2HH1 ARG 45 2HH1 ARG 45 10.452 0.097 -2.530 351 1HH2 ARG 45 1HH2 ARG 45 10.824 2.538 -0.054 352 2HH2 ARG 45 2HH2 ARG 45 11.600 1.689 -1.349 353 H ARG 46 H ARG 46 6.455 -0.385 4.320 354 HA ARG 46 HA ARG 46 6.323 -2.965 5.025 355 1HB ARG 46 1HB ARG 46 6.938 -2.372 7.273 356 2HB ARG 46 2HB ARG 46 7.691 -1.229 6.167 357 1HG ARG 46 1HG ARG 46 5.878 0.375 6.659 358 2HG ARG 46 2HG ARG 46 5.233 -0.765 7.841 359 1HD ARG 46 1HD ARG 46 6.605 0.955 8.911 360 2HD ARG 46 2HD ARG 46 7.298 -0.653 9.113 361 HE ARG 46 HE ARG 46 8.420 0.571 6.841 362 1HH1 ARG 46 1HH1 ARG 46 8.442 0.791 10.316 363 2HH1 ARG 46 2HH1 ARG 46 10.047 1.435 10.395 364 1HH2 ARG 46 1HH2 ARG 46 10.534 1.422 6.933 365 2HH2 ARG 46 2HH2 ARG 46 11.237 1.795 8.471 366 H MET 47 H MET 47 3.958 -0.538 6.034 367 HA MET 47 HA MET 47 2.409 -2.401 7.556 368 1HB MET 47 1HB MET 47 1.472 0.262 6.499 369 2HB MET 47 2HB MET 47 0.895 -0.599 7.917 370 1HG MET 47 1HG MET 47 3.180 -0.284 8.909 371 2HG MET 47 2HG MET 47 3.534 0.788 7.555 372 1HE MET 47 1HE MET 47 1.447 2.189 6.790 373 2HE MET 47 2HE MET 47 1.950 3.656 7.627 374 3HE MET 47 3HE MET 47 0.332 3.008 7.884 375 H LEU 48 H LEU 48 2.243 -0.980 4.348 376 HA LEU 48 HA LEU 48 -0.270 -2.138 3.670 377 1HB LEU 48 1HB LEU 48 1.814 -1.155 1.736 378 2HB LEU 48 2HB LEU 48 0.080 -1.249 1.493 379 HG LEU 48 HG LEU 48 1.075 0.483 3.690 380 1HD1 LEU 48 1HD1 LEU 48 0.892 1.851 1.119 381 2HD1 LEU 48 2HD1 LEU 48 2.264 0.751 1.251 382 3HD1 LEU 48 3HD1 LEU 48 2.056 2.048 2.428 383 1HD2 LEU 48 1HD2 LEU 48 -1.240 0.414 1.809 384 2HD2 LEU 48 2HD2 LEU 48 -0.804 1.908 2.640 385 3HD2 LEU 48 3HD2 LEU 48 -1.229 0.472 3.572 386 H ILE 49 H ILE 49 2.996 -2.800 2.318 387 HA ILE 49 HA ILE 49 2.449 -4.934 0.753 388 HB ILE 49 HB ILE 49 4.722 -5.927 1.623 389 1HG1 ILE 49 1HG1 ILE 49 5.393 -3.157 2.369 390 2HG1 ILE 49 2HG1 ILE 49 4.397 -4.018 3.546 391 1HG2 ILE 49 1HG2 ILE 49 4.477 -3.300 0.179 392 2HG2 ILE 49 2HG2 ILE 49 4.398 -4.907 -0.542 393 3HG2 ILE 49 3HG2 ILE 49 5.906 -4.334 0.173 394 1HD1 ILE 49 1HD1 ILE 49 7.114 -4.104 3.412 395 2HD1 ILE 49 2HD1 ILE 49 6.654 -5.578 2.559 396 3HD1 ILE 49 3HD1 ILE 49 6.092 -5.301 4.207 397 H SER 50 H SER 50 2.449 -4.939 4.233 398 HA SER 50 HA SER 50 2.175 -7.826 4.381 399 1HB SER 50 1HB SER 50 2.478 -5.609 6.360 400 2HB SER 50 2HB SER 50 1.729 -7.113 6.899 401 HG SER 50 HG SER 50 4.333 -6.574 6.393 402 H HIS 51 H HIS 51 0.260 -5.273 5.949 403 HA HIS 51 HA HIS 51 -2.116 -6.913 5.702 404 1HB HIS 51 1HB HIS 51 -1.485 -5.663 7.802 405 2HB HIS 51 2HB HIS 51 -1.877 -4.173 6.951 406 HD2 HIS 51 HD2 HIS 51 -4.571 -6.113 5.642 407 HE1 HIS 51 HE1 HIS 51 -5.896 -5.187 9.555 408 HE2 HIS 51 HE2 HIS 51 -6.597 -6.009 7.260 409 H VAL 52 H VAL 52 -1.456 -3.468 5.033 410 HA VAL 52 HA VAL 52 -2.510 -1.981 3.666 411 HB VAL 52 HB VAL 52 -1.077 -2.949 2.016 412 1HG1 VAL 52 1HG1 VAL 52 -1.563 -5.289 2.283 413 2HG1 VAL 52 2HG1 VAL 52 -1.781 -4.828 0.595 414 3HG1 VAL 52 3HG1 VAL 52 -3.185 -5.063 1.633 415 1HG2 VAL 52 1HG2 VAL 52 -2.656 -1.335 1.190 416 2HG2 VAL 52 2HG2 VAL 52 -3.864 -2.596 0.940 417 3HG2 VAL 52 3HG2 VAL 52 -2.389 -2.582 -0.027 418 H GLU 53 H GLU 53 -4.436 -2.104 5.012 419 HA GLU 53 HA GLU 53 -6.609 -3.732 4.715 420 1HB GLU 53 1HB GLU 53 -6.109 -1.487 6.142 421 2HB GLU 53 2HB GLU 53 -7.262 -0.859 4.972 422 1HG GLU 53 1HG GLU 53 -8.593 -3.037 5.684 423 2HG GLU 53 2HG GLU 53 -7.646 -2.819 7.156 424 H THR 54 H THR 54 -7.053 -4.396 2.645 425 HA THR 54 HA THR 54 -7.748 -2.370 0.649 426 HB THR 54 HB THR 54 -7.987 -4.471 -0.838 427 HG1 THR 54 HG1 THR 54 -7.788 -6.235 0.339 428 1HG2 THR 54 1HG2 THR 54 -6.129 -2.824 -0.936 429 2HG2 THR 54 2HG2 THR 54 -5.626 -4.466 -1.337 430 3HG2 THR 54 3HG2 THR 54 -5.255 -3.791 0.250 431 H TRP 55 H TRP 55 -9.513 -2.615 2.814 432 HA TRP 55 HA TRP 55 -11.717 -2.858 3.319 433 1HB TRP 55 1HB TRP 55 -11.629 -1.748 0.866 434 2HB TRP 55 2HB TRP 55 -12.505 -3.226 0.481 435 HD1 TRP 55 HD1 TRP 55 -14.886 -3.593 1.794 436 HE1 TRP 55 HE1 TRP 55 -16.575 -1.854 2.660 437 HE3 TRP 55 HE3 TRP 55 -11.861 0.530 1.832 438 HZ2 TRP 55 HZ2 TRP 55 -16.619 0.899 3.277 439 HZ3 TRP 55 HZ3 TRP 55 -12.804 2.678 2.575 440 HH2 TRP 55 HH2 TRP 55 -15.134 2.857 3.283 Start of MODEL 9 1 H MET 1 H MET 1 -8.016 6.018 0.878 2 HA MET 1 HA MET 1 -6.417 3.880 2.044 3 1HB MET 1 1HB MET 1 -4.783 5.582 2.514 4 2HB MET 1 2HB MET 1 -5.354 5.812 0.869 5 1HG MET 1 1HG MET 1 -6.442 7.762 1.365 6 2HG MET 1 2HG MET 1 -6.669 7.334 3.060 7 1HE MET 1 1HE MET 1 -4.226 8.037 5.021 8 2HE MET 1 2HE MET 1 -2.918 7.286 4.108 9 3HE MET 1 3HE MET 1 -4.486 6.486 4.222 10 H ILE 2 H ILE 2 -5.587 4.291 4.327 11 HA ILE 2 HA ILE 2 -7.792 4.310 6.108 12 HB ILE 2 HB ILE 2 -4.827 4.401 6.599 13 1HG1 ILE 2 1HG1 ILE 2 -5.216 2.070 7.386 14 2HG1 ILE 2 2HG1 ILE 2 -6.902 2.226 6.910 15 1HG2 ILE 2 1HG2 ILE 2 -6.200 5.470 8.465 16 2HG2 ILE 2 2HG2 ILE 2 -5.105 4.163 8.905 17 3HG2 ILE 2 3HG2 ILE 2 -6.832 3.850 8.753 18 1HD1 ILE 2 1HD1 ILE 2 -4.715 2.661 4.927 19 2HD1 ILE 2 2HD1 ILE 2 -6.397 2.210 4.653 20 3HD1 ILE 2 3HD1 ILE 2 -5.269 1.036 5.332 21 HA PRO 3 HA PRO 3 -8.068 8.720 6.809 22 1HB PRO 3 1HB PRO 3 -9.661 8.752 8.920 23 2HB PRO 3 2HB PRO 3 -10.254 8.037 7.409 24 1HG PRO 3 1HG PRO 3 -8.948 6.644 9.757 25 2HG PRO 3 2HG PRO 3 -10.549 6.305 9.040 26 1HD PRO 3 1HD PRO 3 -8.384 4.897 8.316 27 2HD PRO 3 2HD PRO 3 -9.609 5.357 7.116 28 H VAL 4 H VAL 4 -5.615 7.804 7.594 29 HA VAL 4 HA VAL 4 -4.432 9.435 9.309 30 HB VAL 4 HB VAL 4 -6.164 7.606 10.876 31 1HG1 VAL 4 1HG1 VAL 4 -3.281 8.085 11.635 32 2HG1 VAL 4 2HG1 VAL 4 -4.200 6.578 11.673 33 3HG1 VAL 4 3HG1 VAL 4 -4.528 7.841 12.859 34 1HG2 VAL 4 1HG2 VAL 4 -6.060 10.234 10.642 35 2HG2 VAL 4 2HG2 VAL 4 -4.877 10.078 11.940 36 3HG2 VAL 4 3HG2 VAL 4 -6.518 9.469 12.164 37 H ARG 5 H ARG 5 -2.306 8.711 9.968 38 HA ARG 5 HA ARG 5 -0.441 7.371 9.941 39 1HB ARG 5 1HB ARG 5 -2.428 5.501 10.196 40 2HB ARG 5 2HB ARG 5 -1.684 5.020 8.675 41 1HG ARG 5 1HG ARG 5 -0.351 3.827 10.035 42 2HG ARG 5 2HG ARG 5 0.519 5.357 10.177 43 1HD ARG 5 1HD ARG 5 0.015 5.541 12.341 44 2HD ARG 5 2HD ARG 5 -1.689 5.204 12.042 45 HE ARG 5 HE ARG 5 -1.336 3.042 12.691 46 1HH1 ARG 5 1HH1 ARG 5 1.734 4.534 12.007 47 2HH1 ARG 5 2HH1 ARG 5 2.662 3.200 12.604 48 1HH2 ARG 5 1HH2 ARG 5 -0.124 1.279 13.480 49 2HH2 ARG 5 2HH2 ARG 5 1.606 1.348 13.442 50 H CYS 6 H CYS 6 0.520 5.602 8.158 51 HA CYS 6 HA CYS 6 1.145 7.138 5.883 52 1HB CYS 6 1HB CYS 6 1.428 4.169 6.371 53 2HB CYS 6 2HB CYS 6 2.192 5.045 5.055 54 H LEU 7 H LEU 7 0.873 5.166 3.824 55 HA LEU 7 HA LEU 7 -0.600 4.263 2.318 56 1HB LEU 7 1HB LEU 7 -2.832 5.290 4.055 57 2HB LEU 7 2HB LEU 7 -2.979 4.181 2.720 58 HG LEU 7 HG LEU 7 -2.928 2.524 4.205 59 1HD1 LEU 7 1HD1 LEU 7 -0.900 1.657 4.875 60 2HD1 LEU 7 2HD1 LEU 7 -0.205 3.245 5.195 61 3HD1 LEU 7 3HD1 LEU 7 -0.426 2.699 3.533 62 1HD2 LEU 7 1HD2 LEU 7 -3.090 4.698 5.873 63 2HD2 LEU 7 2HD2 LEU 7 -1.742 3.775 6.537 64 3HD2 LEU 7 3HD2 LEU 7 -3.321 3.013 6.332 65 H SER 8 H SER 8 0.603 6.808 2.345 66 HA SER 8 HA SER 8 -0.403 8.010 0.106 67 1HB SER 8 1HB SER 8 -1.950 8.714 2.466 68 2HB SER 8 2HB SER 8 -1.236 10.139 1.710 69 HG SER 8 HG SER 8 -2.434 9.839 -0.031 70 H CYS 9 H CYS 9 0.393 9.589 3.194 71 HA CYS 9 HA CYS 9 2.068 11.042 3.749 72 1HB CYS 9 1HB CYS 9 3.452 8.729 2.424 73 2HB CYS 9 2HB CYS 9 4.384 10.086 3.044 74 H GLY 10 H GLY 10 0.763 11.503 1.118 75 1HA GLY 10 1HA GLY 10 1.284 13.616 -0.044 76 2HA GLY 10 2HA GLY 10 2.948 13.050 -0.131 77 H LYS 11 H LYS 11 1.809 10.275 -0.659 78 HA LYS 11 HA LYS 11 1.085 10.686 -3.482 79 1HB LYS 11 1HB LYS 11 3.375 9.365 -2.308 80 2HB LYS 11 2HB LYS 11 2.462 8.259 -3.327 81 1HG LYS 11 1HG LYS 11 4.155 9.290 -4.655 82 2HG LYS 11 2HG LYS 11 2.595 9.955 -5.151 83 1HD LYS 11 1HD LYS 11 3.288 11.685 -3.198 84 2HD LYS 11 2HD LYS 11 4.878 11.263 -3.830 85 1HE LYS 11 1HE LYS 11 3.517 11.655 -6.132 86 2HE LYS 11 2HE LYS 11 2.688 12.794 -5.072 87 1HZ LYS 11 1HZ LYS 11 4.544 14.065 -4.828 88 2HZ LYS 11 2HZ LYS 11 4.830 13.476 -6.388 89 3HZ LYS 11 3HZ LYS 11 5.617 12.778 -5.063 90 HA PRO 12 HA PRO 12 -2.468 8.354 -1.823 91 1HB PRO 12 1HB PRO 12 -3.029 8.449 -4.754 92 2HB PRO 12 2HB PRO 12 -4.114 8.750 -3.392 93 1HG PRO 12 1HG PRO 12 -3.122 10.777 -4.803 94 2HG PRO 12 2HG PRO 12 -3.286 10.895 -3.041 95 1HD PRO 12 1HD PRO 12 -0.843 10.488 -4.696 96 2HD PRO 12 2HD PRO 12 -1.033 11.357 -3.160 97 H VAL 13 H VAL 13 -2.643 6.212 -1.581 98 HA VAL 13 HA VAL 13 -1.215 4.485 -3.494 99 HB VAL 13 HB VAL 13 -0.871 2.900 -1.706 100 1HG1 VAL 13 1HG1 VAL 13 -0.158 5.726 -0.930 101 2HG1 VAL 13 2HG1 VAL 13 0.805 4.609 -1.899 102 3HG1 VAL 13 3HG1 VAL 13 0.534 4.283 -0.187 103 1HG2 VAL 13 1HG2 VAL 13 -1.633 3.233 0.538 104 2HG2 VAL 13 2HG2 VAL 13 -3.027 3.380 -0.532 105 3HG2 VAL 13 3HG2 VAL 13 -2.276 4.826 0.141 106 H SER 14 H SER 14 -4.270 5.171 -2.052 107 HA SER 14 HA SER 14 -5.572 2.720 -2.259 108 1HB SER 14 1HB SER 14 -6.931 5.337 -2.885 109 2HB SER 14 2HB SER 14 -7.596 3.917 -2.072 110 HG SER 14 HG SER 14 -5.924 4.412 -0.411 111 H ALA 15 H ALA 15 -4.939 5.181 -4.699 112 HA ALA 15 HA ALA 15 -6.567 4.046 -6.727 113 1HB ALA 15 1HB ALA 15 -4.829 5.422 -8.185 114 2HB ALA 15 2HB ALA 15 -4.454 6.124 -6.612 115 3HB ALA 15 3HB ALA 15 -6.098 6.209 -7.247 116 H TYR 16 H TYR 16 -3.180 3.645 -5.819 117 HA TYR 16 HA TYR 16 -2.630 1.898 -8.047 118 1HB TYR 16 1HB TYR 16 -1.076 3.025 -5.760 119 2HB TYR 16 2HB TYR 16 -0.468 1.584 -6.561 120 HD1 TYR 16 HD1 TYR 16 -0.963 5.165 -6.837 121 HD2 TYR 16 HD2 TYR 16 0.161 1.645 -8.949 122 HE1 TYR 16 HE1 TYR 16 0.035 6.553 -8.606 123 HE2 TYR 16 HE2 TYR 16 1.161 3.025 -10.725 124 HH TYR 16 HH TYR 16 1.048 5.244 -11.619 125 H PHE 17 H PHE 17 -3.733 1.602 -4.795 126 HA PHE 17 HA PHE 17 -2.918 -0.829 -3.913 127 1HB PHE 17 1HB PHE 17 -5.494 0.645 -3.699 128 2HB PHE 17 2HB PHE 17 -5.493 -1.042 -3.200 129 HD1 PHE 17 HD1 PHE 17 -6.160 -0.071 -0.971 130 HD2 PHE 17 HD2 PHE 17 -2.346 0.620 -2.733 131 HE1 PHE 17 HE1 PHE 17 -5.263 0.575 1.228 132 HE2 PHE 17 HE2 PHE 17 -1.446 1.266 -0.538 133 HZ PHE 17 HZ PHE 17 -2.906 1.244 1.445 134 H ASN 18 H ASN 18 -5.039 -0.212 -6.605 135 HA ASN 18 HA ASN 18 -6.135 -2.779 -6.935 136 1HB ASN 18 1HB ASN 18 -5.463 -0.696 -9.028 137 2HB ASN 18 2HB ASN 18 -6.496 -2.099 -9.290 138 1HD2 ASN 18 1HD2 ASN 18 -7.173 0.672 -9.593 139 2HD2 ASN 18 2HD2 ASN 18 -8.473 0.995 -8.491 140 H GLU 19 H GLU 19 -3.147 -1.315 -8.137 141 HA GLU 19 HA GLU 19 -2.272 -3.420 -9.754 142 1HB GLU 19 1HB GLU 19 -1.312 -0.972 -9.229 143 2HB GLU 19 2HB GLU 19 -0.249 -1.900 -8.185 144 1HG GLU 19 1HG GLU 19 0.962 -1.818 -10.125 145 2HG GLU 19 2HG GLU 19 0.121 -3.357 -10.303 146 H TYR 20 H TYR 20 -1.589 -2.728 -6.340 147 HA TYR 20 HA TYR 20 0.015 -4.938 -5.773 148 1HB TYR 20 1HB TYR 20 -0.161 -3.196 -4.157 149 2HB TYR 20 2HB TYR 20 -1.909 -3.363 -4.062 150 HD1 TYR 20 HD1 TYR 20 -2.869 -5.448 -3.005 151 HD2 TYR 20 HD2 TYR 20 1.255 -4.444 -2.756 152 HE1 TYR 20 HE1 TYR 20 -2.619 -6.978 -1.094 153 HE2 TYR 20 HE2 TYR 20 1.520 -5.970 -0.844 154 HH TYR 20 HH TYR 20 -0.022 -6.939 0.961 155 H GLN 21 H GLN 21 -3.498 -4.570 -5.554 156 HA GLN 21 HA GLN 21 -4.156 -7.070 -4.563 157 1HB GLN 21 1HB GLN 21 -5.786 -5.260 -4.809 158 2HB GLN 21 2HB GLN 21 -5.691 -5.396 -6.560 159 1HG GLN 21 1HG GLN 21 -6.911 -7.326 -6.620 160 2HG GLN 21 2HG GLN 21 -6.445 -7.802 -4.987 161 1HE2 GLN 21 1HE2 GLN 21 -7.439 -6.713 -3.209 162 2HE2 GLN 21 2HE2 GLN 21 -9.013 -6.021 -3.383 163 H ARG 22 H ARG 22 -4.212 -6.116 -8.005 164 HA ARG 22 HA ARG 22 -4.706 -8.557 -9.148 165 1HB ARG 22 1HB ARG 22 -3.086 -6.199 -10.048 166 2HB ARG 22 2HB ARG 22 -3.146 -7.648 -11.042 167 1HG ARG 22 1HG ARG 22 -5.802 -6.980 -10.285 168 2HG ARG 22 2HG ARG 22 -5.011 -5.530 -10.906 169 1HD ARG 22 1HD ARG 22 -4.200 -7.173 -12.789 170 2HD ARG 22 2HD ARG 22 -5.602 -8.110 -12.276 171 HE ARG 22 HE ARG 22 -6.408 -5.460 -12.666 172 1HH1 ARG 22 1HH1 ARG 22 -5.267 -8.186 -14.508 173 2HH1 ARG 22 2HH1 ARG 22 -6.106 -7.728 -15.953 174 1HH2 ARG 22 1HH2 ARG 22 -7.519 -4.847 -14.565 175 2HH2 ARG 22 2HH2 ARG 22 -7.386 -5.830 -15.985 176 H ARG 23 H ARG 23 -1.469 -7.200 -8.534 177 HA ARG 23 HA ARG 23 0.025 -9.388 -9.341 178 1HB ARG 23 1HB ARG 23 0.490 -6.969 -7.865 179 2HB ARG 23 2HB ARG 23 1.444 -8.304 -7.222 180 1HG ARG 23 1HG ARG 23 2.852 -7.618 -8.846 181 2HG ARG 23 2HG ARG 23 1.880 -8.723 -9.802 182 1HD ARG 23 1HD ARG 23 0.411 -6.723 -10.328 183 2HD ARG 23 2HD ARG 23 1.713 -5.728 -9.676 184 HE ARG 23 HE ARG 23 2.953 -6.156 -11.562 185 1HH1 ARG 23 1HH1 ARG 23 0.207 -8.296 -11.454 186 2HH1 ARG 23 2HH1 ARG 23 0.437 -8.882 -13.068 187 1HH2 ARG 23 1HH2 ARG 23 3.263 -6.921 -13.688 188 2HH2 ARG 23 2HH2 ARG 23 2.173 -8.100 -14.338 189 H VAL 24 H VAL 24 -0.584 -8.536 -5.928 190 HA VAL 24 HA VAL 24 0.268 -10.890 -4.779 191 HB VAL 24 HB VAL 24 -2.070 -9.245 -3.806 192 1HG1 VAL 24 1HG1 VAL 24 -0.156 -11.062 -2.346 193 2HG1 VAL 24 2HG1 VAL 24 -1.861 -11.380 -2.666 194 3HG1 VAL 24 3HG1 VAL 24 -1.395 -10.062 -1.590 195 1HG2 VAL 24 1HG2 VAL 24 0.343 -8.643 -2.436 196 2HG2 VAL 24 2HG2 VAL 24 -0.664 -7.574 -3.413 197 3HG2 VAL 24 3HG2 VAL 24 0.640 -8.491 -4.168 198 H ALA 25 H ALA 25 -2.656 -10.256 -6.522 199 HA ALA 25 HA ALA 25 -4.201 -12.433 -5.585 200 1HB ALA 25 1HB ALA 25 -4.399 -10.416 -7.659 201 2HB ALA 25 2HB ALA 25 -5.667 -11.191 -6.711 202 3HB ALA 25 3HB ALA 25 -5.053 -11.972 -8.169 203 H ASP 26 H ASP 26 -2.460 -12.051 -8.679 204 HA ASP 26 HA ASP 26 -2.730 -14.752 -9.444 205 1HB ASP 26 1HB ASP 26 -1.656 -12.385 -10.561 206 2HB ASP 26 2HB ASP 26 -0.365 -13.583 -10.589 207 H GLY 27 H GLY 27 -0.392 -13.067 -7.479 208 1HA GLY 27 1HA GLY 27 0.734 -14.491 -5.802 209 2HA GLY 27 2HA GLY 27 1.043 -15.625 -7.109 210 H GLU 28 H GLU 28 1.346 -12.138 -7.412 211 HA GLU 28 HA GLU 28 4.153 -12.492 -8.105 212 1HB GLU 28 1HB GLU 28 2.546 -9.944 -8.262 213 2HB GLU 28 2HB GLU 28 4.032 -10.339 -9.111 214 1HG GLU 28 1HG GLU 28 2.477 -12.305 -10.036 215 2HG GLU 28 2HG GLU 28 1.249 -11.080 -9.724 216 H ASP 29 H ASP 29 5.772 -11.004 -7.291 217 HA ASP 29 HA ASP 29 5.718 -10.794 -4.467 218 1HB ASP 29 1HB ASP 29 7.658 -10.619 -6.501 219 2HB ASP 29 2HB ASP 29 7.712 -9.078 -5.649 220 HA PRO 30 HA PRO 30 3.280 -6.983 -4.430 221 1HB PRO 30 1HB PRO 30 4.046 -7.021 -1.575 222 2HB PRO 30 2HB PRO 30 2.450 -6.931 -2.315 223 1HG PRO 30 1HG PRO 30 3.314 -9.171 -1.125 224 2HG PRO 30 2HG PRO 30 2.274 -9.214 -2.560 225 1HD PRO 30 1HD PRO 30 5.209 -9.698 -2.327 226 2HD PRO 30 2HD PRO 30 4.014 -10.486 -3.377 227 H LYS 31 H LYS 31 6.346 -7.370 -2.669 228 HA LYS 31 HA LYS 31 7.034 -4.728 -2.295 229 1HB LYS 31 1HB LYS 31 8.376 -7.258 -2.260 230 2HB LYS 31 2HB LYS 31 9.395 -6.077 -3.069 231 1HG LYS 31 1HG LYS 31 8.159 -5.135 -0.580 232 2HG LYS 31 2HG LYS 31 9.309 -6.462 -0.392 233 1HD LYS 31 1HD LYS 31 10.273 -4.409 -2.208 234 2HD LYS 31 2HD LYS 31 9.929 -3.776 -0.596 235 1HE LYS 31 1HE LYS 31 11.927 -4.553 0.008 236 2HE LYS 31 2HE LYS 31 11.230 -6.168 -0.108 237 1HZ LYS 31 1HZ LYS 31 12.119 -6.484 -2.214 238 2HZ LYS 31 2HZ LYS 31 13.363 -5.681 -1.397 239 3HZ LYS 31 3HZ LYS 31 12.377 -4.834 -2.479 240 H ASP 32 H ASP 32 7.295 -6.703 -5.192 241 HA ASP 32 HA ASP 32 8.698 -4.810 -6.780 242 1HB ASP 32 1HB ASP 32 7.756 -7.417 -7.130 243 2HB ASP 32 2HB ASP 32 6.826 -6.460 -8.280 244 H VAL 33 H VAL 33 5.298 -5.509 -6.168 245 HA VAL 33 HA VAL 33 4.152 -3.677 -7.951 246 HB VAL 33 HB VAL 33 3.080 -4.470 -5.240 247 1HG1 VAL 33 1HG1 VAL 33 2.146 -2.550 -6.962 248 2HG1 VAL 33 2HG1 VAL 33 1.190 -3.388 -5.740 249 3HG1 VAL 33 3HG1 VAL 33 1.195 -3.968 -7.406 250 1HG2 VAL 33 1HG2 VAL 33 1.752 -6.133 -6.632 251 2HG2 VAL 33 2HG2 VAL 33 3.458 -6.497 -6.369 252 3HG2 VAL 33 3HG2 VAL 33 2.926 -5.830 -7.913 253 H LEU 34 H LEU 34 5.216 -3.327 -4.584 254 HA LEU 34 HA LEU 34 4.364 -0.779 -4.014 255 1HB LEU 34 1HB LEU 34 6.812 -2.309 -3.231 256 2HB LEU 34 2HB LEU 34 6.647 -0.638 -2.743 257 HG LEU 34 HG LEU 34 5.920 -2.388 -1.056 258 1HD1 LEU 34 1HD1 LEU 34 5.155 0.144 -1.397 259 2HD1 LEU 34 2HD1 LEU 34 4.525 -0.879 -0.105 260 3HD1 LEU 34 3HD1 LEU 34 3.589 -0.646 -1.582 261 1HD2 LEU 34 1HD2 LEU 34 3.772 -2.715 -3.120 262 2HD2 LEU 34 2HD2 LEU 34 3.491 -3.078 -1.420 263 3HD2 LEU 34 3HD2 LEU 34 4.730 -3.957 -2.314 264 H ASP 35 H ASP 35 7.214 -1.766 -5.850 265 HA ASP 35 HA ASP 35 8.291 0.804 -6.231 266 1HB ASP 35 1HB ASP 35 9.198 -1.650 -6.800 267 2HB ASP 35 2HB ASP 35 8.590 -1.219 -8.396 268 H ASP 36 H ASP 36 5.768 -0.998 -7.825 269 HA ASP 36 HA ASP 36 5.487 0.898 -9.991 270 1HB ASP 36 1HB ASP 36 4.343 -1.718 -9.263 271 2HB ASP 36 2HB ASP 36 3.222 -0.630 -10.075 272 H LEU 37 H LEU 37 3.743 0.031 -7.035 273 HA LEU 37 HA LEU 37 1.464 1.537 -7.231 274 1HB LEU 37 1HB LEU 37 3.234 0.854 -4.924 275 2HB LEU 37 2HB LEU 37 1.862 1.911 -4.674 276 HG LEU 37 HG LEU 37 1.165 -0.544 -6.101 277 1HD1 LEU 37 1HD1 LEU 37 2.509 -0.665 -3.435 278 2HD1 LEU 37 2HD1 LEU 37 2.670 -1.742 -4.821 279 3HD1 LEU 37 3HD1 LEU 37 1.214 -1.794 -3.830 280 1HD2 LEU 37 1HD2 LEU 37 -0.802 -0.138 -5.140 281 2HD2 LEU 37 2HD2 LEU 37 -0.104 1.392 -4.609 282 3HD2 LEU 37 3HD2 LEU 37 -0.084 -0.007 -3.534 283 H GLY 38 H GLY 38 4.667 2.639 -6.152 284 1HA GLY 38 1HA GLY 38 5.305 4.880 -7.024 285 2HA GLY 38 2HA GLY 38 3.702 5.399 -6.527 286 H LEU 39 H LEU 39 3.521 4.226 -4.051 287 HA LEU 39 HA LEU 39 4.424 6.029 -2.289 288 1HB LEU 39 1HB LEU 39 4.801 3.505 -0.975 289 2HB LEU 39 2HB LEU 39 3.543 4.699 -0.743 290 HG LEU 39 HG LEU 39 2.341 3.632 -2.710 291 1HD1 LEU 39 1HD1 LEU 39 3.865 2.332 -3.843 292 2HD1 LEU 39 2HD1 LEU 39 3.060 1.121 -2.846 293 3HD1 LEU 39 3HD1 LEU 39 4.634 1.756 -2.365 294 1HD2 LEU 39 1HD2 LEU 39 2.568 1.560 -0.631 295 2HD2 LEU 39 2HD2 LEU 39 1.146 2.377 -1.280 296 3HD2 LEU 39 3HD2 LEU 39 2.158 3.186 -0.083 297 H LYS 40 H LYS 40 6.338 6.899 -1.953 298 HA LYS 40 HA LYS 40 8.772 5.510 -2.569 299 1HB LYS 40 1HB LYS 40 8.002 8.164 -2.451 300 2HB LYS 40 2HB LYS 40 9.057 7.994 -1.056 301 1HG LYS 40 1HG LYS 40 10.135 6.768 -3.466 302 2HG LYS 40 2HG LYS 40 9.862 8.505 -3.614 303 1HD LYS 40 1HD LYS 40 11.103 8.790 -1.453 304 2HD LYS 40 2HD LYS 40 11.526 7.080 -1.549 305 1HE LYS 40 1HE LYS 40 13.312 7.730 -2.715 306 2HE LYS 40 2HE LYS 40 12.194 8.032 -4.043 307 1HZ LYS 40 1HZ LYS 40 12.568 10.198 -3.896 308 2HZ LYS 40 2HZ LYS 40 13.800 9.876 -2.782 309 3HZ LYS 40 3HZ LYS 40 12.237 10.222 -2.239 310 H ARG 41 H ARG 41 7.982 7.300 0.413 311 HA ARG 41 HA ARG 41 9.847 6.071 2.032 312 1HB ARG 41 1HB ARG 41 7.132 7.136 2.831 313 2HB ARG 41 2HB ARG 41 8.449 6.794 3.945 314 1HG ARG 41 1HG ARG 41 8.413 8.875 1.769 315 2HG ARG 41 2HG ARG 41 8.359 9.152 3.511 316 1HD ARG 41 1HD ARG 41 10.624 7.552 3.005 317 2HD ARG 41 2HD ARG 41 10.631 8.840 1.802 318 HE ARG 41 HE ARG 41 11.210 9.097 4.564 319 1HH1 ARG 41 1HH1 ARG 41 9.686 10.751 1.903 320 2HH1 ARG 41 2HH1 ARG 41 9.968 12.331 2.557 321 1HH2 ARG 41 1HH2 ARG 41 11.585 11.172 5.431 322 2HH2 ARG 41 2HH2 ARG 41 11.048 12.569 4.561 323 H TYR 42 H TYR 42 9.959 4.246 3.229 324 HA TYR 42 HA TYR 42 8.216 2.088 2.527 325 1HB TYR 42 1HB TYR 42 9.671 0.702 3.823 326 2HB TYR 42 2HB TYR 42 10.687 1.871 2.985 327 HD1 TYR 42 HD1 TYR 42 9.096 1.151 6.262 328 HD2 TYR 42 HD2 TYR 42 12.151 3.259 4.182 329 HE1 TYR 42 HE1 TYR 42 10.092 1.815 8.410 330 HE2 TYR 42 HE2 TYR 42 13.155 3.929 6.323 331 HH TYR 42 HH TYR 42 12.755 4.091 8.575 332 H CYS 43 H CYS 43 8.256 4.444 5.027 333 HA CYS 43 HA CYS 43 7.132 3.227 7.202 334 1HB CYS 43 1HB CYS 43 5.973 5.410 7.630 335 2HB CYS 43 2HB CYS 43 7.688 5.567 7.263 336 H CYS 44 H CYS 44 5.669 3.880 4.124 337 HA CYS 44 HA CYS 44 2.989 3.207 5.038 338 1HB CYS 44 1HB CYS 44 3.750 3.492 2.149 339 2HB CYS 44 2HB CYS 44 2.234 3.902 2.944 340 H ARG 45 H ARG 45 5.279 1.954 2.608 341 HA ARG 45 HA ARG 45 3.976 -0.335 1.877 342 1HB ARG 45 1HB ARG 45 6.947 -0.335 2.340 343 2HB ARG 45 2HB ARG 45 6.036 -1.179 1.096 344 1HG ARG 45 1HG ARG 45 5.412 1.157 0.247 345 2HG ARG 45 2HG ARG 45 6.741 1.724 1.259 346 1HD ARG 45 1HD ARG 45 7.381 -0.576 -0.454 347 2HD ARG 45 2HD ARG 45 6.999 0.911 -1.321 348 HE ARG 45 HE ARG 45 8.949 1.844 -0.542 349 1HH1 ARG 45 1HH1 ARG 45 8.315 -1.130 1.158 350 2HH1 ARG 45 2HH1 ARG 45 9.873 -1.183 1.910 351 1HH2 ARG 45 1HH2 ARG 45 11.004 1.783 0.444 352 2HH2 ARG 45 2HH2 ARG 45 11.402 0.472 1.505 353 H ARG 46 H ARG 46 6.425 -0.157 4.476 354 HA ARG 46 HA ARG 46 6.478 -2.666 5.411 355 1HB ARG 46 1HB ARG 46 6.817 -1.727 7.700 356 2HB ARG 46 2HB ARG 46 7.786 -0.953 6.453 357 1HG ARG 46 1HG ARG 46 6.991 1.015 7.053 358 2HG ARG 46 2HG ARG 46 5.356 0.480 6.661 359 1HD ARG 46 1HD ARG 46 4.808 0.212 8.816 360 2HD ARG 46 2HD ARG 46 6.345 -0.559 9.203 361 HE ARG 46 HE ARG 46 6.599 2.261 8.804 362 1HH1 ARG 46 1HH1 ARG 46 5.715 -0.199 11.103 363 2HH1 ARG 46 2HH1 ARG 46 6.077 0.779 12.486 364 1HH2 ARG 46 1HH2 ARG 46 7.079 3.560 10.618 365 2HH2 ARG 46 2HH2 ARG 46 6.852 2.916 12.210 366 H MET 47 H MET 47 3.805 -0.434 5.883 367 HA MET 47 HA MET 47 2.367 -2.328 7.561 368 1HB MET 47 1HB MET 47 1.845 0.467 6.604 369 2HB MET 47 2HB MET 47 0.524 -0.503 7.235 370 1HG MET 47 1HG MET 47 1.265 -0.392 9.363 371 2HG MET 47 2HG MET 47 2.962 -0.373 8.889 372 1HE MET 47 1HE MET 47 1.020 2.329 6.832 373 2HE MET 47 2HE MET 47 0.409 3.365 8.123 374 3HE MET 47 3HE MET 47 -0.153 1.699 7.989 375 H LEU 48 H LEU 48 2.284 -1.014 4.302 376 HA LEU 48 HA LEU 48 -0.171 -2.247 3.585 377 1HB LEU 48 1HB LEU 48 1.979 -1.242 1.727 378 2HB LEU 48 2HB LEU 48 0.280 -1.468 1.354 379 HG LEU 48 HG LEU 48 0.999 0.414 3.544 380 1HD1 LEU 48 1HD1 LEU 48 1.963 1.971 2.269 381 2HD1 LEU 48 2HD1 LEU 48 0.845 1.691 0.935 382 3HD1 LEU 48 3HD1 LEU 48 2.268 0.666 1.121 383 1HD2 LEU 48 1HD2 LEU 48 -1.242 0.474 3.382 384 2HD2 LEU 48 2HD2 LEU 48 -1.244 -0.131 1.726 385 3HD2 LEU 48 3HD2 LEU 48 -0.918 1.573 2.041 386 H ILE 49 H ILE 49 3.092 -2.831 2.250 387 HA ILE 49 HA ILE 49 2.686 -4.980 0.712 388 HB ILE 49 HB ILE 49 4.942 -5.912 1.593 389 1HG1 ILE 49 1HG1 ILE 49 5.556 -3.222 2.587 390 2HG1 ILE 49 2HG1 ILE 49 4.468 -4.137 3.632 391 1HG2 ILE 49 1HG2 ILE 49 6.119 -3.964 0.433 392 2HG2 ILE 49 2HG2 ILE 49 4.507 -3.279 0.227 393 3HG2 ILE 49 3HG2 ILE 49 4.897 -4.844 -0.486 394 1HD1 ILE 49 1HD1 ILE 49 6.050 -5.828 3.976 395 2HD1 ILE 49 2HD1 ILE 49 6.947 -4.315 4.105 396 3HD1 ILE 49 3HD1 ILE 49 7.052 -5.279 2.632 397 H SER 50 H SER 50 2.568 -5.067 4.207 398 HA SER 50 HA SER 50 2.499 -7.945 4.319 399 1HB SER 50 1HB SER 50 2.632 -5.737 6.224 400 2HB SER 50 2HB SER 50 1.536 -7.015 6.753 401 HG SER 50 HG SER 50 4.205 -7.440 5.883 402 H HIS 51 H HIS 51 0.135 -5.748 5.800 403 HA HIS 51 HA HIS 51 -1.962 -7.631 5.118 404 1HB HIS 51 1HB HIS 51 -3.365 -6.005 6.541 405 2HB HIS 51 2HB HIS 51 -2.129 -6.965 7.345 406 HD2 HIS 51 HD2 HIS 51 -0.030 -5.563 8.454 407 HE1 HIS 51 HE1 HIS 51 -1.589 -1.741 7.514 408 HE2 HIS 51 HE2 HIS 51 0.189 -3.002 8.812 409 H VAL 52 H VAL 52 -1.769 -4.063 4.948 410 HA VAL 52 HA VAL 52 -2.967 -2.579 3.684 411 HB VAL 52 HB VAL 52 -1.082 -3.212 2.209 412 1HG1 VAL 52 1HG1 VAL 52 -1.555 -4.692 0.289 413 2HG1 VAL 52 2HG1 VAL 52 -3.087 -5.128 1.044 414 3HG1 VAL 52 3HG1 VAL 52 -1.566 -5.531 1.841 415 1HG2 VAL 52 1HG2 VAL 52 -1.858 -2.014 0.398 416 2HG2 VAL 52 2HG2 VAL 52 -2.998 -1.548 1.661 417 3HG2 VAL 52 3HG2 VAL 52 -3.456 -2.755 0.459 418 H GLU 53 H GLU 53 -4.557 -4.815 4.727 419 HA GLU 53 HA GLU 53 -6.588 -5.829 4.472 420 1HB GLU 53 1HB GLU 53 -6.798 -3.071 3.910 421 2HB GLU 53 2HB GLU 53 -7.820 -3.892 2.740 422 1HG GLU 53 1HG GLU 53 -8.694 -5.175 4.830 423 2HG GLU 53 2HG GLU 53 -8.036 -3.793 5.706 424 H THR 54 H THR 54 -6.258 -7.650 3.268 425 HA THR 54 HA THR 54 -7.241 -7.592 0.550 426 HB THR 54 HB THR 54 -5.156 -9.041 -0.128 427 HG1 THR 54 HG1 THR 54 -3.258 -8.016 0.912 428 1HG2 THR 54 1HG2 THR 54 -5.931 -6.381 -0.524 429 2HG2 THR 54 2HG2 THR 54 -4.793 -7.318 -1.493 430 3HG2 THR 54 3HG2 THR 54 -4.206 -6.320 -0.162 431 H TRP 55 H TRP 55 -7.937 -9.605 -0.193 432 HA TRP 55 HA TRP 55 -7.810 -11.793 1.777 433 1HB TRP 55 1HB TRP 55 -10.063 -10.471 1.395 434 2HB TRP 55 2HB TRP 55 -10.175 -11.497 -0.033 435 HD1 TRP 55 HD1 TRP 55 -9.956 -11.796 3.812 436 HE1 TRP 55 HE1 TRP 55 -11.051 -14.020 4.504 437 HE3 TRP 55 HE3 TRP 55 -10.879 -13.728 -0.831 438 HZ2 TRP 55 HZ2 TRP 55 -12.159 -16.293 3.248 439 HZ3 TRP 55 HZ3 TRP 55 -11.959 -15.932 -0.998 440 HH2 TRP 55 HH2 TRP 55 -12.585 -17.187 1.000 Start of MODEL 10 1 H MET 1 H MET 1 -7.602 5.089 0.424 2 HA MET 1 HA MET 1 -6.147 3.467 2.129 3 1HB MET 1 1HB MET 1 -4.592 5.288 2.349 4 2HB MET 1 2HB MET 1 -5.218 5.289 0.706 5 1HG MET 1 1HG MET 1 -6.423 7.217 1.017 6 2HG MET 1 2HG MET 1 -6.524 7.001 2.763 7 1HE MET 1 1HE MET 1 -2.710 7.123 3.451 8 2HE MET 1 2HE MET 1 -4.276 6.447 3.900 9 3HE MET 1 3HE MET 1 -3.839 8.077 4.413 10 H ILE 2 H ILE 2 -5.400 3.867 4.317 11 HA ILE 2 HA ILE 2 -7.539 4.168 6.133 12 HB ILE 2 HB ILE 2 -4.566 3.999 6.543 13 1HG1 ILE 2 1HG1 ILE 2 -5.221 1.761 7.497 14 2HG1 ILE 2 2HG1 ILE 2 -6.860 2.076 6.933 15 1HG2 ILE 2 1HG2 ILE 2 -6.593 3.834 8.754 16 2HG2 ILE 2 2HG2 ILE 2 -5.663 5.290 8.399 17 3HG2 ILE 2 3HG2 ILE 2 -4.834 3.812 8.886 18 1HD1 ILE 2 1HD1 ILE 2 -5.420 0.630 5.459 19 2HD1 ILE 2 2HD1 ILE 2 -4.493 2.086 5.093 20 3HD1 ILE 2 3HD1 ILE 2 -6.206 2.003 4.679 21 HA PRO 3 HA PRO 3 -7.404 8.590 6.665 22 1HB PRO 3 1HB PRO 3 -9.242 8.843 8.535 23 2HB PRO 3 2HB PRO 3 -9.698 8.085 6.999 24 1HG PRO 3 1HG PRO 3 -8.820 6.741 9.565 25 2HG PRO 3 2HG PRO 3 -10.326 6.468 8.647 26 1HD PRO 3 1HD PRO 3 -8.143 4.908 8.324 27 2HD PRO 3 2HD PRO 3 -9.221 5.298 6.969 28 H VAL 4 H VAL 4 -5.240 7.224 7.973 29 HA VAL 4 HA VAL 4 -4.700 9.045 10.118 30 HB VAL 4 HB VAL 4 -5.902 6.392 10.577 31 1HG1 VAL 4 1HG1 VAL 4 -4.738 6.309 12.890 32 2HG1 VAL 4 2HG1 VAL 4 -3.474 7.276 12.130 33 3HG1 VAL 4 3HG1 VAL 4 -3.859 5.674 11.498 34 1HG2 VAL 4 1HG2 VAL 4 -6.031 7.958 12.878 35 2HG2 VAL 4 2HG2 VAL 4 -7.267 7.776 11.634 36 3HG2 VAL 4 3HG2 VAL 4 -6.106 9.099 11.535 37 H ARG 5 H ARG 5 -3.765 5.661 9.565 38 HA ARG 5 HA ARG 5 -1.065 6.021 10.086 39 1HB ARG 5 1HB ARG 5 -2.748 3.908 9.415 40 2HB ARG 5 2HB ARG 5 -1.539 3.923 8.134 41 1HG ARG 5 1HG ARG 5 -0.712 2.473 9.787 42 2HG ARG 5 2HG ARG 5 0.206 3.969 9.966 43 1HD ARG 5 1HD ARG 5 -0.967 4.590 11.896 44 2HD ARG 5 2HD ARG 5 -2.265 3.438 11.584 45 HE ARG 5 HE ARG 5 0.125 2.942 13.021 46 1HH1 ARG 5 1HH1 ARG 5 -2.094 1.458 10.784 47 2HH1 ARG 5 2HH1 ARG 5 -1.754 -0.155 11.315 48 1HH2 ARG 5 1HH2 ARG 5 0.580 0.821 13.729 49 2HH2 ARG 5 2HH2 ARG 5 -0.235 -0.517 12.990 50 H CYS 6 H CYS 6 0.656 5.350 8.381 51 HA CYS 6 HA CYS 6 0.548 7.342 6.267 52 1HB CYS 6 1HB CYS 6 2.572 6.406 7.939 53 2HB CYS 6 2HB CYS 6 2.969 5.738 6.361 54 H LEU 7 H LEU 7 -0.586 6.664 4.583 55 HA LEU 7 HA LEU 7 0.369 4.281 3.180 56 1HB LEU 7 1HB LEU 7 -2.521 5.055 3.522 57 2HB LEU 7 2HB LEU 7 -1.941 3.732 2.532 58 HG LEU 7 HG LEU 7 -2.714 2.656 4.432 59 1HD1 LEU 7 1HD1 LEU 7 -0.903 1.513 5.026 60 2HD1 LEU 7 2HD1 LEU 7 -0.168 2.917 5.787 61 3HD1 LEU 7 3HD1 LEU 7 0.028 2.650 4.057 62 1HD2 LEU 7 1HD2 LEU 7 -3.032 4.890 5.599 63 2HD2 LEU 7 2HD2 LEU 7 -1.409 4.653 6.244 64 3HD2 LEU 7 3HD2 LEU 7 -2.682 3.493 6.617 65 H SER 8 H SER 8 1.173 6.869 2.773 66 HA SER 8 HA SER 8 0.514 7.277 0.023 67 1HB SER 8 1HB SER 8 -1.413 8.427 0.854 68 2HB SER 8 2HB SER 8 -0.472 9.246 2.094 69 HG SER 8 HG SER 8 0.274 9.651 -0.562 70 H CYS 9 H CYS 9 1.395 9.684 2.444 71 HA CYS 9 HA CYS 9 3.362 10.723 2.953 72 1HB CYS 9 1HB CYS 9 4.227 8.192 1.954 73 2HB CYS 9 2HB CYS 9 5.293 9.434 1.306 74 H GLY 10 H GLY 10 1.670 11.201 0.479 75 1HA GLY 10 1HA GLY 10 2.246 13.466 -0.532 76 2HA GLY 10 2HA GLY 10 3.687 12.647 -1.116 77 H LYS 11 H LYS 11 2.003 10.166 -1.504 78 HA LYS 11 HA LYS 11 0.490 11.016 -3.873 79 1HB LYS 11 1HB LYS 11 2.935 9.446 -3.774 80 2HB LYS 11 2HB LYS 11 1.636 8.584 -4.590 81 1HG LYS 11 1HG LYS 11 2.750 9.736 -6.287 82 2HG LYS 11 2HG LYS 11 1.320 10.718 -5.955 83 1HD LYS 11 1HD LYS 11 3.006 11.854 -4.238 84 2HD LYS 11 2HD LYS 11 4.181 11.277 -5.416 85 1HE LYS 11 1HE LYS 11 1.765 12.728 -6.383 86 2HE LYS 11 2HE LYS 11 3.075 13.653 -5.649 87 1HZ LYS 11 1HZ LYS 11 2.931 12.495 -8.239 88 2HZ LYS 11 2HZ LYS 11 4.293 11.930 -7.411 89 3HZ LYS 11 3HZ LYS 11 4.060 13.592 -7.619 90 HA PRO 12 HA PRO 12 -2.626 8.338 -2.219 91 1HB PRO 12 1HB PRO 12 -3.955 7.771 -4.545 92 2HB PRO 12 2HB PRO 12 -4.149 9.276 -3.640 93 1HG PRO 12 1HG PRO 12 -2.468 8.717 -6.053 94 2HG PRO 12 2HG PRO 12 -3.476 10.131 -5.695 95 1HD PRO 12 1HD PRO 12 -0.805 10.184 -5.383 96 2HD PRO 12 2HD PRO 12 -1.891 11.060 -4.284 97 H VAL 13 H VAL 13 -2.726 6.219 -1.784 98 HA VAL 13 HA VAL 13 -1.190 4.401 -3.505 99 HB VAL 13 HB VAL 13 -0.903 2.957 -1.619 100 1HG1 VAL 13 1HG1 VAL 13 0.721 4.638 -1.578 101 2HG1 VAL 13 2HG1 VAL 13 0.091 4.612 0.072 102 3HG1 VAL 13 3HG1 VAL 13 -0.432 5.866 -1.054 103 1HG2 VAL 13 1HG2 VAL 13 -1.893 3.391 0.564 104 2HG2 VAL 13 2HG2 VAL 13 -3.153 3.198 -0.655 105 3HG2 VAL 13 3HG2 VAL 13 -2.726 4.807 -0.079 106 H SER 14 H SER 14 -4.365 5.111 -2.373 107 HA SER 14 HA SER 14 -5.602 2.613 -2.580 108 1HB SER 14 1HB SER 14 -7.089 5.059 -3.443 109 2HB SER 14 2HB SER 14 -7.601 3.750 -2.373 110 HG SER 14 HG SER 14 -6.567 6.115 -1.718 111 H ALA 15 H ALA 15 -5.063 5.118 -5.035 112 HA ALA 15 HA ALA 15 -6.466 3.866 -7.123 113 1HB ALA 15 1HB ALA 15 -4.615 5.246 -8.485 114 2HB ALA 15 2HB ALA 15 -4.465 6.026 -6.910 115 3HB ALA 15 3HB ALA 15 -6.023 5.995 -7.735 116 H TYR 16 H TYR 16 -3.191 3.484 -5.922 117 HA TYR 16 HA TYR 16 -2.442 1.730 -8.099 118 1HB TYR 16 1HB TYR 16 -1.068 2.998 -5.786 119 2HB TYR 16 2HB TYR 16 -0.387 1.504 -6.413 120 HD1 TYR 16 HD1 TYR 16 -0.616 5.039 -6.848 121 HD2 TYR 16 HD2 TYR 16 0.157 1.400 -8.914 122 HE1 TYR 16 HE1 TYR 16 0.503 6.300 -8.638 123 HE2 TYR 16 HE2 TYR 16 1.279 2.652 -10.710 124 HH TYR 16 HH TYR 16 1.217 6.140 -10.838 125 H PHE 17 H PHE 17 -3.672 1.495 -4.871 126 HA PHE 17 HA PHE 17 -2.864 -0.939 -3.954 127 1HB PHE 17 1HB PHE 17 -5.435 0.548 -3.767 128 2HB PHE 17 2HB PHE 17 -5.440 -1.132 -3.253 129 HD1 PHE 17 HD1 PHE 17 -6.142 -0.089 -1.054 130 HD2 PHE 17 HD2 PHE 17 -2.282 0.484 -2.757 131 HE1 PHE 17 HE1 PHE 17 -5.274 0.580 1.147 132 HE2 PHE 17 HE2 PHE 17 -1.410 1.155 -0.556 133 HZ PHE 17 HZ PHE 17 -2.907 1.204 1.398 134 H ASN 18 H ASN 18 -5.090 -0.315 -6.588 135 HA ASN 18 HA ASN 18 -6.162 -2.875 -6.922 136 1HB ASN 18 1HB ASN 18 -5.723 -0.528 -8.716 137 2HB ASN 18 2HB ASN 18 -6.155 -2.068 -9.452 138 1HD2 ASN 18 1HD2 ASN 18 -8.024 -0.692 -10.095 139 2HD2 ASN 18 2HD2 ASN 18 -9.383 -0.646 -9.021 140 H GLU 19 H GLU 19 -3.119 -1.471 -8.007 141 HA GLU 19 HA GLU 19 -2.299 -3.589 -9.679 142 1HB GLU 19 1HB GLU 19 -1.295 -1.139 -9.129 143 2HB GLU 19 2HB GLU 19 -0.218 -2.125 -8.153 144 1HG GLU 19 1HG GLU 19 0.825 -1.834 -10.248 145 2HG GLU 19 2HG GLU 19 0.235 -3.494 -10.199 146 H TYR 20 H TYR 20 -1.604 -2.869 -6.275 147 HA TYR 20 HA TYR 20 -0.028 -5.080 -5.672 148 1HB TYR 20 1HB TYR 20 -0.219 -3.331 -4.062 149 2HB TYR 20 2HB TYR 20 -1.968 -3.476 -4.003 150 HD1 TYR 20 HD1 TYR 20 -3.015 -5.379 -2.825 151 HD2 TYR 20 HD2 TYR 20 1.189 -4.735 -2.724 152 HE1 TYR 20 HE1 TYR 20 -2.837 -6.886 -0.891 153 HE2 TYR 20 HE2 TYR 20 1.380 -6.240 -0.789 154 HH TYR 20 HH TYR 20 -1.018 -8.342 0.147 155 H GLN 21 H GLN 21 -3.543 -4.694 -5.470 156 HA GLN 21 HA GLN 21 -4.204 -7.209 -4.498 157 1HB GLN 21 1HB GLN 21 -5.829 -5.392 -4.692 158 2HB GLN 21 2HB GLN 21 -5.746 -5.485 -6.447 159 1HG GLN 21 1HG GLN 21 -7.115 -7.257 -6.548 160 2HG GLN 21 2HG GLN 21 -6.431 -8.003 -5.105 161 1HE2 GLN 21 1HE2 GLN 21 -7.752 -4.760 -5.351 162 2HE2 GLN 21 2HE2 GLN 21 -9.085 -5.021 -4.283 163 H ARG 22 H ARG 22 -4.410 -6.216 -7.923 164 HA ARG 22 HA ARG 22 -4.830 -8.683 -9.062 165 1HB ARG 22 1HB ARG 22 -3.304 -6.283 -10.054 166 2HB ARG 22 2HB ARG 22 -3.534 -7.709 -11.057 167 1HG ARG 22 1HG ARG 22 -6.078 -7.175 -10.180 168 2HG ARG 22 2HG ARG 22 -5.388 -5.566 -10.407 169 1HD ARG 22 1HD ARG 22 -4.542 -6.592 -12.667 170 2HD ARG 22 2HD ARG 22 -5.861 -7.733 -12.401 171 HE ARG 22 HE ARG 22 -7.322 -6.090 -12.998 172 1HH1 ARG 22 1HH1 ARG 22 -4.318 -4.608 -12.046 173 2HH1 ARG 22 2HH1 ARG 22 -4.818 -3.009 -12.484 174 1HH2 ARG 22 1HH2 ARG 22 -7.991 -3.988 -13.579 175 2HH2 ARG 22 2HH2 ARG 22 -6.906 -2.657 -13.356 176 H ARG 23 H ARG 23 -1.705 -7.137 -8.408 177 HA ARG 23 HA ARG 23 -0.054 -9.168 -9.360 178 1HB ARG 23 1HB ARG 23 0.262 -6.902 -7.500 179 2HB ARG 23 2HB ARG 23 1.507 -8.149 -7.496 180 1HG ARG 23 1HG ARG 23 0.725 -7.445 -10.165 181 2HG ARG 23 2HG ARG 23 1.274 -6.047 -9.261 182 1HD ARG 23 1HD ARG 23 3.141 -7.916 -8.610 183 2HD ARG 23 2HD ARG 23 2.718 -8.363 -10.264 184 HE ARG 23 HE ARG 23 3.292 -5.561 -9.885 185 1HH1 ARG 23 1HH1 ARG 23 4.593 -8.700 -10.654 186 2HH1 ARG 23 2HH1 ARG 23 5.973 -8.067 -11.485 187 1HH2 ARG 23 1HH2 ARG 23 5.109 -4.718 -10.977 188 2HH2 ARG 23 2HH2 ARG 23 6.267 -5.804 -11.669 189 H VAL 24 H VAL 24 -0.728 -8.474 -5.924 190 HA VAL 24 HA VAL 24 0.271 -10.855 -4.892 191 HB VAL 24 HB VAL 24 -2.058 -9.328 -3.729 192 1HG1 VAL 24 1HG1 VAL 24 -1.007 -11.640 -2.855 193 2HG1 VAL 24 2HG1 VAL 24 -1.685 -10.415 -1.784 194 3HG1 VAL 24 3HG1 VAL 24 0.058 -10.498 -2.037 195 1HG2 VAL 24 1HG2 VAL 24 0.433 -8.567 -2.574 196 2HG2 VAL 24 2HG2 VAL 24 -0.755 -7.562 -3.406 197 3HG2 VAL 24 3HG2 VAL 24 0.528 -8.353 -4.322 198 H ALA 25 H ALA 25 -2.717 -10.197 -6.509 199 HA ALA 25 HA ALA 25 -4.247 -12.372 -5.561 200 1HB ALA 25 1HB ALA 25 -4.435 -10.962 -8.221 201 2HB ALA 25 2HB ALA 25 -5.220 -10.445 -6.729 202 3HB ALA 25 3HB ALA 25 -5.679 -11.971 -7.482 203 H ASP 26 H ASP 26 -2.561 -11.991 -8.686 204 HA ASP 26 HA ASP 26 -2.822 -14.747 -9.357 205 1HB ASP 26 1HB ASP 26 -2.551 -12.878 -11.013 206 2HB ASP 26 2HB ASP 26 -0.869 -12.746 -10.509 207 H GLY 27 H GLY 27 -0.662 -13.026 -7.340 208 1HA GLY 27 1HA GLY 27 0.744 -14.315 -5.850 209 2HA GLY 27 2HA GLY 27 1.057 -15.415 -7.186 210 H GLU 28 H GLU 28 1.023 -11.982 -7.702 211 HA GLU 28 HA GLU 28 3.811 -12.090 -8.484 212 1HB GLU 28 1HB GLU 28 1.990 -9.680 -8.630 213 2HB GLU 28 2HB GLU 28 3.452 -10.004 -9.552 214 1HG GLU 28 1HG GLU 28 2.028 -12.108 -10.326 215 2HG GLU 28 2HG GLU 28 0.703 -11.011 -9.940 216 H ASP 29 H ASP 29 5.475 -11.163 -7.453 217 HA ASP 29 HA ASP 29 5.485 -10.733 -4.758 218 1HB ASP 29 1HB ASP 29 7.320 -10.332 -6.937 219 2HB ASP 29 2HB ASP 29 7.472 -9.013 -5.779 220 HA PRO 30 HA PRO 30 3.209 -6.854 -4.482 221 1HB PRO 30 1HB PRO 30 3.949 -6.988 -1.640 222 2HB PRO 30 2HB PRO 30 2.349 -6.951 -2.383 223 1HG PRO 30 1HG PRO 30 3.326 -9.176 -1.229 224 2HG PRO 30 2HG PRO 30 2.265 -9.237 -2.647 225 1HD PRO 30 1HD PRO 30 5.234 -9.560 -2.484 226 2HD PRO 30 2HD PRO 30 4.056 -10.440 -3.480 227 H LYS 31 H LYS 31 6.235 -7.384 -2.670 228 HA LYS 31 HA LYS 31 7.013 -4.799 -2.195 229 1HB LYS 31 1HB LYS 31 8.268 -7.348 -2.240 230 2HB LYS 31 2HB LYS 31 9.314 -6.219 -3.087 231 1HG LYS 31 1HG LYS 31 9.614 -4.885 -1.214 232 2HG LYS 31 2HG LYS 31 8.168 -5.513 -0.417 233 1HD LYS 31 1HD LYS 31 10.189 -6.378 0.640 234 2HD LYS 31 2HD LYS 31 9.274 -7.679 -0.126 235 1HE LYS 31 1HE LYS 31 11.398 -6.336 -1.712 236 2HE LYS 31 2HE LYS 31 11.893 -7.441 -0.433 237 1HZ LYS 31 1HZ LYS 31 10.249 -9.048 -1.519 238 2HZ LYS 31 2HZ LYS 31 11.726 -8.782 -2.301 239 3HZ LYS 31 3HZ LYS 31 10.322 -8.022 -2.863 240 H ASP 32 H ASP 32 7.286 -6.633 -5.191 241 HA ASP 32 HA ASP 32 8.686 -4.639 -6.662 242 1HB ASP 32 1HB ASP 32 7.803 -7.258 -7.135 243 2HB ASP 32 2HB ASP 32 6.920 -6.266 -8.292 244 H VAL 33 H VAL 33 5.287 -5.469 -6.191 245 HA VAL 33 HA VAL 33 4.112 -3.632 -7.926 246 HB VAL 33 HB VAL 33 3.063 -4.468 -5.216 247 1HG1 VAL 33 1HG1 VAL 33 1.026 -4.043 -7.150 248 2HG1 VAL 33 2HG1 VAL 33 2.079 -2.628 -7.133 249 3HG1 VAL 33 3HG1 VAL 33 1.313 -3.174 -5.642 250 1HG2 VAL 33 1HG2 VAL 33 1.784 -6.163 -6.516 251 2HG2 VAL 33 2HG2 VAL 33 3.527 -6.441 -6.497 252 3HG2 VAL 33 3HG2 VAL 33 2.759 -5.748 -7.925 253 H LEU 34 H LEU 34 5.134 -3.278 -4.546 254 HA LEU 34 HA LEU 34 4.251 -0.729 -4.010 255 1HB LEU 34 1HB LEU 34 6.666 -2.257 -3.130 256 2HB LEU 34 2HB LEU 34 6.470 -0.589 -2.642 257 HG LEU 34 HG LEU 34 5.671 -2.352 -0.999 258 1HD1 LEU 34 1HD1 LEU 34 4.750 0.190 -1.576 259 2HD1 LEU 34 2HD1 LEU 34 4.448 -0.727 -0.101 260 3HD1 LEU 34 3HD1 LEU 34 3.281 -0.775 -1.422 261 1HD2 LEU 34 1HD2 LEU 34 3.286 -3.074 -1.470 262 2HD2 LEU 34 2HD2 LEU 34 4.559 -3.911 -2.354 263 3HD2 LEU 34 3HD2 LEU 34 3.606 -2.659 -3.151 264 H ASP 35 H ASP 35 7.213 -1.709 -5.678 265 HA ASP 35 HA ASP 35 8.333 0.816 -6.053 266 1HB ASP 35 1HB ASP 35 9.222 -1.583 -6.661 267 2HB ASP 35 2HB ASP 35 8.479 -1.249 -8.223 268 H ASP 36 H ASP 36 5.721 -0.836 -7.656 269 HA ASP 36 HA ASP 36 5.465 1.186 -9.725 270 1HB ASP 36 1HB ASP 36 4.489 -1.508 -9.288 271 2HB ASP 36 2HB ASP 36 3.173 -0.430 -9.743 272 H LEU 37 H LEU 37 3.754 0.133 -6.811 273 HA LEU 37 HA LEU 37 1.473 1.674 -6.925 274 1HB LEU 37 1HB LEU 37 3.196 0.756 -4.656 275 2HB LEU 37 2HB LEU 37 1.847 1.824 -4.337 276 HG LEU 37 HG LEU 37 1.085 -0.471 -5.970 277 1HD1 LEU 37 1HD1 LEU 37 2.564 -1.827 -4.821 278 2HD1 LEU 37 2HD1 LEU 37 1.110 -1.934 -3.833 279 3HD1 LEU 37 3HD1 LEU 37 2.437 -0.885 -3.337 280 1HD2 LEU 37 1HD2 LEU 37 -0.215 1.328 -4.488 281 2HD2 LEU 37 2HD2 LEU 37 -0.037 0.050 -3.285 282 3HD2 LEU 37 3HD2 LEU 37 -0.851 -0.286 -4.813 283 H GLY 38 H GLY 38 4.735 2.611 -6.002 284 1HA GLY 38 1HA GLY 38 5.725 4.671 -5.890 285 2HA GLY 38 2HA GLY 38 4.310 5.325 -6.699 286 H LEU 39 H LEU 39 5.162 3.976 -3.509 287 HA LEU 39 HA LEU 39 3.454 6.014 -2.278 288 1HB LEU 39 1HB LEU 39 4.708 3.669 -0.878 289 2HB LEU 39 2HB LEU 39 3.319 4.618 -0.381 290 HG LEU 39 HG LEU 39 2.283 3.691 -2.611 291 1HD1 LEU 39 1HD1 LEU 39 4.680 2.034 -2.198 292 2HD1 LEU 39 2HD1 LEU 39 3.772 2.378 -3.670 293 3HD1 LEU 39 3HD1 LEU 39 3.185 1.159 -2.538 294 1HD2 LEU 39 1HD2 LEU 39 2.542 1.800 -0.308 295 2HD2 LEU 39 2HD2 LEU 39 1.151 2.078 -1.357 296 3HD2 LEU 39 3HD2 LEU 39 1.629 3.303 -0.181 297 H LYS 40 H LYS 40 6.196 6.449 -3.346 298 HA LYS 40 HA LYS 40 8.111 7.537 -2.819 299 1HB LYS 40 1HB LYS 40 6.588 9.283 -2.192 300 2HB LYS 40 2HB LYS 40 6.312 8.548 -0.619 301 1HG LYS 40 1HG LYS 40 7.762 10.315 -0.184 302 2HG LYS 40 2HG LYS 40 8.814 8.899 -0.221 303 1HD LYS 40 1HD LYS 40 9.520 9.417 -2.463 304 2HD LYS 40 2HD LYS 40 8.359 10.742 -2.563 305 1HE LYS 40 1HE LYS 40 10.270 10.839 -0.313 306 2HE LYS 40 2HE LYS 40 10.946 11.081 -1.924 307 1HZ LYS 40 1HZ LYS 40 8.533 12.573 -1.207 308 2HZ LYS 40 2HZ LYS 40 9.817 13.018 -2.212 309 3HZ LYS 40 3HZ LYS 40 10.001 13.072 -0.532 310 H ARG 41 H ARG 41 7.264 7.384 0.601 311 HA ARG 41 HA ARG 41 9.816 6.169 1.152 312 1HB ARG 41 1HB ARG 41 7.602 7.298 2.832 313 2HB ARG 41 2HB ARG 41 8.866 6.330 3.576 314 1HG ARG 41 1HG ARG 41 10.495 7.895 3.181 315 2HG ARG 41 2HG ARG 41 9.638 8.599 1.809 316 1HD ARG 41 1HD ARG 41 8.158 9.775 3.193 317 2HD ARG 41 2HD ARG 41 8.560 8.795 4.602 318 HE ARG 41 HE ARG 41 10.906 9.994 4.001 319 1HH1 ARG 41 1HH1 ARG 41 7.674 11.187 4.503 320 2HH1 ARG 41 2HH1 ARG 41 8.196 12.718 5.123 321 1HH2 ARG 41 1HH2 ARG 41 11.606 12.006 4.817 322 2HH2 ARG 41 2HH2 ARG 41 10.432 13.184 5.302 323 H TYR 42 H TYR 42 9.708 4.532 3.120 324 HA TYR 42 HA TYR 42 8.111 2.275 2.149 325 1HB TYR 42 1HB TYR 42 9.715 0.835 3.241 326 2HB TYR 42 2HB TYR 42 10.586 2.010 2.262 327 HD1 TYR 42 HD1 TYR 42 12.354 3.167 3.206 328 HD2 TYR 42 HD2 TYR 42 9.397 1.489 5.762 329 HE1 TYR 42 HE1 TYR 42 13.686 3.824 5.167 330 HE2 TYR 42 HE2 TYR 42 10.719 2.141 7.730 331 HH TYR 42 HH TYR 42 13.139 4.341 7.674 332 H CYS 43 H CYS 43 8.451 4.436 4.806 333 HA CYS 43 HA CYS 43 7.568 3.002 6.973 334 1HB CYS 43 1HB CYS 43 6.741 5.072 7.897 335 2HB CYS 43 2HB CYS 43 8.218 5.406 7.000 336 H CYS 44 H CYS 44 5.808 3.937 4.145 337 HA CYS 44 HA CYS 44 3.215 3.233 5.268 338 1HB CYS 44 1HB CYS 44 3.567 3.621 2.338 339 2HB CYS 44 2HB CYS 44 2.279 4.185 3.397 340 H ARG 45 H ARG 45 5.406 2.058 2.743 341 HA ARG 45 HA ARG 45 4.026 -0.119 1.829 342 1HB ARG 45 1HB ARG 45 7.001 -0.107 2.342 343 2HB ARG 45 2HB ARG 45 6.137 -1.061 1.145 344 1HG ARG 45 1HG ARG 45 5.483 1.044 0.013 345 2HG ARG 45 2HG ARG 45 6.491 1.927 1.156 346 1HD ARG 45 1HD ARG 45 8.445 0.643 0.404 347 2HD ARG 45 2HD ARG 45 7.428 -0.196 -0.766 348 HE ARG 45 HE ARG 45 7.328 2.651 -1.050 349 1HH1 ARG 45 1HH1 ARG 45 9.138 -0.216 -1.844 350 2HH1 ARG 45 2HH1 ARG 45 9.853 0.471 -3.263 351 1HH2 ARG 45 1HH2 ARG 45 8.266 3.567 -2.920 352 2HH2 ARG 45 2HH2 ARG 45 9.358 2.622 -3.875 353 H ARG 46 H ARG 46 6.495 -0.294 4.404 354 HA ARG 46 HA ARG 46 6.388 -2.866 5.136 355 1HB ARG 46 1HB ARG 46 7.005 -2.240 7.380 356 2HB ARG 46 2HB ARG 46 7.761 -1.128 6.248 357 1HG ARG 46 1HG ARG 46 5.866 0.461 6.716 358 2HG ARG 46 2HG ARG 46 5.387 -0.627 8.020 359 1HD ARG 46 1HD ARG 46 8.172 -0.158 8.263 360 2HD ARG 46 2HD ARG 46 7.383 1.401 8.040 361 HE ARG 46 HE ARG 46 7.152 -0.360 10.315 362 1HH1 ARG 46 1HH1 ARG 46 5.765 2.319 8.570 363 2HH1 ARG 46 2HH1 ARG 46 4.895 2.926 9.940 364 1HH2 ARG 46 1HH2 ARG 46 6.009 0.432 12.122 365 2HH2 ARG 46 2HH2 ARG 46 5.033 1.855 11.956 366 H MET 47 H MET 47 3.935 -0.478 6.010 367 HA MET 47 HA MET 47 2.478 -2.373 7.618 368 1HB MET 47 1HB MET 47 1.871 0.437 6.710 369 2HB MET 47 2HB MET 47 0.764 -0.511 7.692 370 1HG MET 47 1HG MET 47 1.978 -0.244 9.562 371 2HG MET 47 2HG MET 47 3.517 -0.321 8.705 372 1HE MET 47 1HE MET 47 0.950 3.451 8.250 373 2HE MET 47 2HE MET 47 0.358 1.792 8.256 374 3HE MET 47 3HE MET 47 1.327 2.378 6.904 375 H LEU 48 H LEU 48 2.367 -1.175 4.342 376 HA LEU 48 HA LEU 48 -0.268 -2.212 3.840 377 1HB LEU 48 1HB LEU 48 1.758 -1.305 1.804 378 2HB LEU 48 2HB LEU 48 0.023 -1.437 1.591 379 HG LEU 48 HG LEU 48 1.008 0.399 3.705 380 1HD1 LEU 48 1HD1 LEU 48 1.258 0.879 0.756 381 2HD1 LEU 48 2HD1 LEU 48 2.498 1.056 1.997 382 3HD1 LEU 48 3HD1 LEU 48 1.152 2.192 1.928 383 1HD2 LEU 48 1HD2 LEU 48 -1.295 0.227 1.809 384 2HD2 LEU 48 2HD2 LEU 48 -0.896 1.742 2.618 385 3HD2 LEU 48 3HD2 LEU 48 -1.306 0.314 3.570 386 H ILE 49 H ILE 49 2.887 -2.921 2.331 387 HA ILE 49 HA ILE 49 2.289 -5.093 0.849 388 HB ILE 49 HB ILE 49 4.619 -6.023 1.633 389 1HG1 ILE 49 1HG1 ILE 49 5.320 -3.252 2.296 390 2HG1 ILE 49 2HG1 ILE 49 4.319 -4.039 3.516 391 1HG2 ILE 49 1HG2 ILE 49 5.640 -4.732 -0.035 392 2HG2 ILE 49 2HG2 ILE 49 4.578 -3.355 0.258 393 3HG2 ILE 49 3HG2 ILE 49 3.942 -4.814 -0.503 394 1HD1 ILE 49 1HD1 ILE 49 6.119 -5.030 4.316 395 2HD1 ILE 49 2HD1 ILE 49 7.104 -4.313 3.041 396 3HD1 ILE 49 3HD1 ILE 49 6.326 -5.875 2.782 397 H SER 50 H SER 50 2.436 -5.016 4.329 398 HA SER 50 HA SER 50 2.271 -7.894 4.571 399 1HB SER 50 1HB SER 50 1.736 -6.162 6.928 400 2HB SER 50 2HB SER 50 2.759 -7.593 6.785 401 HG SER 50 HG SER 50 4.326 -6.197 6.742 402 H HIS 51 H HIS 51 0.266 -5.356 6.049 403 HA HIS 51 HA HIS 51 -2.005 -7.153 6.053 404 1HB HIS 51 1HB HIS 51 -1.592 -4.387 7.188 405 2HB HIS 51 2HB HIS 51 -3.067 -5.333 7.398 406 HD2 HIS 51 HD2 HIS 51 0.511 -5.030 8.776 407 HE1 HIS 51 HE1 HIS 51 -1.458 -8.146 10.859 408 HE2 HIS 51 HE2 HIS 51 0.617 -6.687 10.773 409 H VAL 52 H VAL 52 -1.765 -3.688 5.316 410 HA VAL 52 HA VAL 52 -3.152 -2.368 4.060 411 HB VAL 52 HB VAL 52 -1.367 -2.957 2.491 412 1HG1 VAL 52 1HG1 VAL 52 -3.173 -4.973 1.215 413 2HG1 VAL 52 2HG1 VAL 52 -2.008 -5.436 2.453 414 3HG1 VAL 52 3HG1 VAL 52 -1.454 -4.695 0.957 415 1HG2 VAL 52 1HG2 VAL 52 -2.587 -2.369 0.428 416 2HG2 VAL 52 2HG2 VAL 52 -3.032 -1.364 1.810 417 3HG2 VAL 52 3HG2 VAL 52 -4.104 -2.662 1.278 418 H GLU 53 H GLU 53 -5.038 -3.181 5.293 419 HA GLU 53 HA GLU 53 -6.764 -5.173 4.616 420 1HB GLU 53 1HB GLU 53 -7.056 -2.517 5.866 421 2HB GLU 53 2HB GLU 53 -8.540 -3.199 5.214 422 1HG GLU 53 1HG GLU 53 -8.533 -4.970 6.678 423 2HG GLU 53 2HG GLU 53 -6.798 -4.864 6.967 424 H THR 54 H THR 54 -7.517 -5.742 2.687 425 HA THR 54 HA THR 54 -8.375 -3.622 0.828 426 HB THR 54 HB THR 54 -8.137 -5.506 -0.922 427 HG1 THR 54 HG1 THR 54 -7.749 -7.078 0.900 428 1HG2 THR 54 1HG2 THR 54 -5.404 -4.981 -0.116 429 2HG2 THR 54 2HG2 THR 54 -6.406 -3.534 -0.006 430 3HG2 THR 54 3HG2 THR 54 -6.290 -4.412 -1.531 431 H TRP 55 H TRP 55 -10.062 -4.581 2.897 432 HA TRP 55 HA TRP 55 -11.914 -6.444 1.652 433 1HB TRP 55 1HB TRP 55 -11.308 -6.440 4.136 434 2HB TRP 55 2HB TRP 55 -12.303 -4.994 4.270 435 HD1 TRP 55 HD1 TRP 55 -14.838 -5.350 4.603 436 HE1 TRP 55 HE1 TRP 55 -16.402 -7.393 4.591 437 HE3 TRP 55 HE3 TRP 55 -11.559 -8.875 2.880 438 HZ2 TRP 55 HZ2 TRP 55 -16.266 -10.135 3.938 439 HZ3 TRP 55 HZ3 TRP 55 -12.355 -11.184 2.590 440 HH2 TRP 55 HH2 TRP 55 -14.661 -11.800 3.108 Start of MODEL 11 1 H MET 1 H MET 1 -6.813 3.666 0.193 2 HA MET 1 HA MET 1 -5.018 2.625 2.121 3 1HB MET 1 1HB MET 1 -3.921 4.727 2.025 4 2HB MET 1 2HB MET 1 -4.532 4.426 0.409 5 1HG MET 1 1HG MET 1 -5.836 6.224 0.432 6 2HG MET 1 2HG MET 1 -6.397 5.925 2.073 7 1HE MET 1 1HE MET 1 -4.408 7.228 4.418 8 2HE MET 1 2HE MET 1 -2.871 6.749 3.704 9 3HE MET 1 3HE MET 1 -4.232 5.628 3.700 10 H ILE 2 H ILE 2 -4.809 3.046 4.317 11 HA ILE 2 HA ILE 2 -7.283 3.704 5.649 12 HB ILE 2 HB ILE 2 -4.634 2.865 6.801 13 1HG1 ILE 2 1HG1 ILE 2 -6.954 1.071 6.953 14 2HG1 ILE 2 2HG1 ILE 2 -6.358 1.362 5.320 15 1HG2 ILE 2 1HG2 ILE 2 -5.664 2.581 8.892 16 2HG2 ILE 2 2HG2 ILE 2 -7.274 2.843 8.221 17 3HG2 ILE 2 3HG2 ILE 2 -6.136 4.186 8.336 18 1HD1 ILE 2 1HD1 ILE 2 -4.148 0.645 5.980 19 2HD1 ILE 2 2HD1 ILE 2 -5.344 -0.606 6.327 20 3HD1 ILE 2 3HD1 ILE 2 -4.710 0.396 7.632 21 HA PRO 3 HA PRO 3 -6.212 7.941 6.520 22 1HB PRO 3 1HB PRO 3 -7.995 8.448 8.447 23 2HB PRO 3 2HB PRO 3 -8.533 8.136 6.788 24 1HG PRO 3 1HG PRO 3 -8.315 6.199 9.091 25 2HG PRO 3 2HG PRO 3 -9.738 6.536 8.069 26 1HD PRO 3 1HD PRO 3 -8.144 4.444 7.537 27 2HD PRO 3 2HD PRO 3 -8.817 5.430 6.220 28 H VAL 4 H VAL 4 -5.832 9.287 8.623 29 HA VAL 4 HA VAL 4 -4.660 9.628 10.542 30 HB VAL 4 HB VAL 4 -5.960 6.981 10.938 31 1HG1 VAL 4 1HG1 VAL 4 -3.706 7.939 12.687 32 2HG1 VAL 4 2HG1 VAL 4 -3.973 6.332 12.008 33 3HG1 VAL 4 3HG1 VAL 4 -5.006 6.922 13.310 34 1HG2 VAL 4 1HG2 VAL 4 -5.913 9.398 12.723 35 2HG2 VAL 4 2HG2 VAL 4 -7.100 8.094 12.677 36 3HG2 VAL 4 3HG2 VAL 4 -6.994 9.238 11.339 37 H ARG 5 H ARG 5 -3.903 6.203 10.000 38 HA ARG 5 HA ARG 5 -1.156 6.515 10.547 39 1HB ARG 5 1HB ARG 5 -2.934 4.404 10.253 40 2HB ARG 5 2HB ARG 5 -1.820 4.192 8.907 41 1HG ARG 5 1HG ARG 5 -0.823 2.962 10.575 42 2HG ARG 5 2HG ARG 5 0.016 4.507 10.712 43 1HD ARG 5 1HD ARG 5 -2.122 4.890 12.355 44 2HD ARG 5 2HD ARG 5 -1.802 3.171 12.584 45 HE ARG 5 HE ARG 5 0.646 4.295 12.834 46 1HH1 ARG 5 1HH1 ARG 5 -2.442 4.923 14.315 47 2HH1 ARG 5 2HH1 ARG 5 -1.761 5.487 15.803 48 1HH2 ARG 5 1HH2 ARG 5 1.555 5.037 14.791 49 2HH2 ARG 5 2HH2 ARG 5 0.512 5.553 16.074 50 H CYS 6 H CYS 6 0.284 5.193 8.803 51 HA CYS 6 HA CYS 6 0.933 6.981 6.741 52 1HB CYS 6 1HB CYS 6 1.653 4.168 7.461 53 2HB CYS 6 2HB CYS 6 2.144 4.777 5.893 54 H LEU 7 H LEU 7 1.214 5.360 4.471 55 HA LEU 7 HA LEU 7 0.114 4.257 2.771 56 1HB LEU 7 1HB LEU 7 -2.459 4.839 4.218 57 2HB LEU 7 2HB LEU 7 -2.277 3.849 2.798 58 HG LEU 7 HG LEU 7 -2.074 2.054 4.091 59 1HD1 LEU 7 1HD1 LEU 7 0.129 3.189 5.765 60 2HD1 LEU 7 2HD1 LEU 7 0.418 2.777 4.074 61 3HD1 LEU 7 3HD1 LEU 7 -0.115 1.535 5.207 62 1HD2 LEU 7 1HD2 LEU 7 -1.776 3.363 6.692 63 2HD2 LEU 7 2HD2 LEU 7 -2.946 2.163 6.142 64 3HD2 LEU 7 3HD2 LEU 7 -3.181 3.869 5.747 65 H SER 8 H SER 8 0.889 6.973 3.089 66 HA SER 8 HA SER 8 -0.098 8.078 0.733 67 1HB SER 8 1HB SER 8 -2.002 8.352 2.696 68 2HB SER 8 2HB SER 8 -1.136 9.884 2.807 69 HG SER 8 HG SER 8 -1.902 8.909 0.289 70 H CYS 9 H CYS 9 0.559 9.536 3.919 71 HA CYS 9 HA CYS 9 2.083 11.105 4.568 72 1HB CYS 9 1HB CYS 9 3.633 9.057 3.039 73 2HB CYS 9 2HB CYS 9 4.467 10.507 3.588 74 H GLY 10 H GLY 10 0.607 11.633 2.024 75 1HA GLY 10 1HA GLY 10 0.798 13.904 1.095 76 2HA GLY 10 2HA GLY 10 2.517 13.588 0.901 77 H LYS 11 H LYS 11 1.749 10.766 0.038 78 HA LYS 11 HA LYS 11 1.123 11.497 -2.740 79 1HB LYS 11 1HB LYS 11 3.165 9.837 -1.561 80 2HB LYS 11 2HB LYS 11 2.201 8.905 -2.702 81 1HG LYS 11 1HG LYS 11 4.194 9.966 -3.713 82 2HG LYS 11 2HG LYS 11 2.675 10.468 -4.460 83 1HD LYS 11 1HD LYS 11 2.753 12.577 -3.513 84 2HD LYS 11 2HD LYS 11 3.854 12.069 -2.234 85 1HE LYS 11 1HE LYS 11 4.942 11.756 -4.930 86 2HE LYS 11 2HE LYS 11 4.568 13.426 -4.503 87 1HZ LYS 11 1HZ LYS 11 5.846 12.292 -2.313 88 2HZ LYS 11 2HZ LYS 11 6.447 13.477 -3.361 89 3HZ LYS 11 3HZ LYS 11 6.745 11.841 -3.675 90 HA PRO 12 HA PRO 12 -2.351 8.781 -2.556 91 1HB PRO 12 1HB PRO 12 -2.819 8.445 -5.175 92 2HB PRO 12 2HB PRO 12 -2.967 10.026 -4.403 93 1HG PRO 12 1HG PRO 12 -0.871 9.000 -6.219 94 2HG PRO 12 2HG PRO 12 -1.402 10.665 -5.941 95 1HD PRO 12 1HD PRO 12 0.873 9.347 -4.831 96 2HD PRO 12 2HD PRO 12 0.303 10.990 -4.489 97 H VAL 13 H VAL 13 -2.469 6.700 -1.993 98 HA VAL 13 HA VAL 13 -1.045 4.715 -3.644 99 HB VAL 13 HB VAL 13 -0.555 3.383 -1.724 100 1HG1 VAL 13 1HG1 VAL 13 0.137 6.287 -1.438 101 2HG1 VAL 13 2HG1 VAL 13 1.140 4.958 -2.018 102 3HG1 VAL 13 3HG1 VAL 13 0.745 5.082 -0.302 103 1HG2 VAL 13 1HG2 VAL 13 -2.216 5.371 -0.182 104 2HG2 VAL 13 2HG2 VAL 13 -1.138 4.205 0.582 105 3HG2 VAL 13 3HG2 VAL 13 -2.504 3.641 -0.379 106 H SER 14 H SER 14 -3.978 5.815 -3.307 107 HA SER 14 HA SER 14 -5.434 3.445 -2.570 108 1HB SER 14 1HB SER 14 -6.632 5.797 -4.016 109 2HB SER 14 2HB SER 14 -7.380 4.730 -2.822 110 HG SER 14 HG SER 14 -5.572 5.710 -1.423 111 H ALA 15 H ALA 15 -5.477 5.366 -5.573 112 HA ALA 15 HA ALA 15 -6.683 3.467 -7.184 113 1HB ALA 15 1HB ALA 15 -5.934 4.743 -9.060 114 2HB ALA 15 2HB ALA 15 -4.629 5.463 -8.117 115 3HB ALA 15 3HB ALA 15 -6.307 5.865 -7.753 116 H TYR 16 H TYR 16 -3.452 3.535 -5.982 117 HA TYR 16 HA TYR 16 -2.422 1.763 -8.013 118 1HB TYR 16 1HB TYR 16 -1.312 3.206 -5.656 119 2HB TYR 16 2HB TYR 16 -0.456 1.780 -6.224 120 HD1 TYR 16 HD1 TYR 16 -0.936 5.263 -6.680 121 HD2 TYR 16 HD2 TYR 16 0.127 1.699 -8.744 122 HE1 TYR 16 HE1 TYR 16 0.125 6.609 -8.443 123 HE2 TYR 16 HE2 TYR 16 1.192 3.035 -10.514 124 HH TYR 16 HH TYR 16 2.087 6.106 -10.214 125 H PHE 17 H PHE 17 -3.791 1.512 -4.825 126 HA PHE 17 HA PHE 17 -2.820 -0.900 -3.912 127 1HB PHE 17 1HB PHE 17 -5.414 0.528 -3.621 128 2HB PHE 17 2HB PHE 17 -5.373 -1.161 -3.138 129 HD1 PHE 17 HD1 PHE 17 -2.199 0.408 -2.662 130 HD2 PHE 17 HD2 PHE 17 -6.064 -0.072 -0.933 131 HE1 PHE 17 HE1 PHE 17 -1.298 1.049 -0.467 132 HE2 PHE 17 HE2 PHE 17 -5.164 0.572 1.261 133 HZ PHE 17 HZ PHE 17 -2.781 1.134 1.498 134 H ASN 18 H ASN 18 -5.061 -0.295 -6.521 135 HA ASN 18 HA ASN 18 -6.106 -2.879 -6.843 136 1HB ASN 18 1HB ASN 18 -6.638 -0.581 -8.058 137 2HB ASN 18 2HB ASN 18 -5.502 -1.209 -9.248 138 1HD2 ASN 18 1HD2 ASN 18 -8.474 -0.734 -9.223 139 2HD2 ASN 18 2HD2 ASN 18 -9.149 -2.231 -9.779 140 H GLU 19 H GLU 19 -3.091 -1.409 -7.856 141 HA GLU 19 HA GLU 19 -2.208 -3.462 -9.583 142 1HB GLU 19 1HB GLU 19 -1.275 -1.053 -9.174 143 2HB GLU 19 2HB GLU 19 -0.318 -1.826 -7.920 144 1HG GLU 19 1HG GLU 19 1.001 -1.701 -9.896 145 2HG GLU 19 2HG GLU 19 0.563 -3.389 -9.634 146 H TYR 20 H TYR 20 -1.384 -2.760 -6.197 147 HA TYR 20 HA TYR 20 0.155 -4.991 -5.630 148 1HB TYR 20 1HB TYR 20 0.004 -3.248 -4.012 149 2HB TYR 20 2HB TYR 20 -1.743 -3.396 -3.907 150 HD1 TYR 20 HD1 TYR 20 -2.743 -5.384 -2.775 151 HD2 TYR 20 HD2 TYR 20 1.434 -4.592 -2.671 152 HE1 TYR 20 HE1 TYR 20 -2.508 -6.911 -0.862 153 HE2 TYR 20 HE2 TYR 20 1.683 -6.116 -0.757 154 HH TYR 20 HH TYR 20 -0.516 -8.349 0.114 155 H GLN 21 H GLN 21 -3.354 -4.605 -5.354 156 HA GLN 21 HA GLN 21 -3.953 -7.166 -4.406 157 1HB GLN 21 1HB GLN 21 -5.604 -5.401 -4.351 158 2HB GLN 21 2HB GLN 21 -5.593 -5.279 -6.105 159 1HG GLN 21 1HG GLN 21 -6.779 -7.232 -6.385 160 2HG GLN 21 2HG GLN 21 -6.334 -7.855 -4.797 161 1HE2 GLN 21 1HE2 GLN 21 -7.697 -7.573 -3.155 162 2HE2 GLN 21 2HE2 GLN 21 -9.123 -6.598 -3.199 163 H ARG 22 H ARG 22 -4.051 -5.944 -7.754 164 HA ARG 22 HA ARG 22 -4.768 -8.265 -9.052 165 1HB ARG 22 1HB ARG 22 -4.609 -6.152 -10.225 166 2HB ARG 22 2HB ARG 22 -2.871 -6.093 -9.961 167 1HG ARG 22 1HG ARG 22 -3.068 -6.777 -12.167 168 2HG ARG 22 2HG ARG 22 -2.798 -8.287 -11.293 169 1HD ARG 22 1HD ARG 22 -5.520 -8.057 -11.218 170 2HD ARG 22 2HD ARG 22 -5.134 -7.374 -12.798 171 HE ARG 22 HE ARG 22 -3.809 -9.864 -12.306 172 1HH1 ARG 22 1HH1 ARG 22 -6.780 -8.390 -13.363 173 2HH1 ARG 22 2HH1 ARG 22 -7.276 -9.756 -14.305 174 1HH2 ARG 22 1HH2 ARG 22 -4.450 -11.671 -13.543 175 2HH2 ARG 22 2HH2 ARG 22 -5.950 -11.623 -14.408 176 H ARG 23 H ARG 23 -1.454 -7.147 -8.373 177 HA ARG 23 HA ARG 23 -0.146 -9.393 -9.428 178 1HB ARG 23 1HB ARG 23 0.565 -7.031 -7.925 179 2HB ARG 23 2HB ARG 23 1.447 -8.430 -7.321 180 1HG ARG 23 1HG ARG 23 2.801 -7.456 -8.986 181 2HG ARG 23 2HG ARG 23 2.100 -8.902 -9.706 182 1HD ARG 23 1HD ARG 23 1.116 -7.720 -11.305 183 2HD ARG 23 2HD ARG 23 0.388 -6.628 -10.127 184 HE ARG 23 HE ARG 23 2.929 -5.748 -10.248 185 1HH1 ARG 23 1HH1 ARG 23 0.564 -6.462 -12.703 186 2HH1 ARG 23 2HH1 ARG 23 1.171 -5.280 -13.815 187 1HH2 ARG 23 1HH2 ARG 23 3.737 -4.189 -11.703 188 2HH2 ARG 23 2HH2 ARG 23 2.975 -3.987 -13.246 189 H VAL 24 H VAL 24 -0.552 -8.592 -5.973 190 HA VAL 24 HA VAL 24 0.268 -10.968 -4.883 191 HB VAL 24 HB VAL 24 -2.011 -9.274 -3.855 192 1HG1 VAL 24 1HG1 VAL 24 -0.222 -11.288 -2.504 193 2HG1 VAL 24 2HG1 VAL 24 -1.971 -11.374 -2.711 194 3HG1 VAL 24 3HG1 VAL 24 -1.269 -10.161 -1.642 195 1HG2 VAL 24 1HG2 VAL 24 -0.520 -7.683 -3.443 196 2HG2 VAL 24 2HG2 VAL 24 0.742 -8.658 -4.197 197 3HG2 VAL 24 3HG2 VAL 24 0.420 -8.813 -2.470 198 H ALA 25 H ALA 25 -2.760 -10.266 -6.466 199 HA ALA 25 HA ALA 25 -4.295 -12.417 -5.529 200 1HB ALA 25 1HB ALA 25 -5.743 -12.024 -7.379 201 2HB ALA 25 2HB ALA 25 -4.466 -11.210 -8.282 202 3HB ALA 25 3HB ALA 25 -5.139 -10.459 -6.837 203 H ASP 26 H ASP 26 -2.255 -12.153 -8.435 204 HA ASP 26 HA ASP 26 -2.640 -14.896 -9.163 205 1HB ASP 26 1HB ASP 26 -0.502 -12.980 -10.120 206 2HB ASP 26 2HB ASP 26 -1.013 -14.468 -10.911 207 H GLY 27 H GLY 27 -0.319 -13.107 -7.268 208 1HA GLY 27 1HA GLY 27 0.796 -14.439 -5.512 209 2HA GLY 27 2HA GLY 27 1.110 -15.643 -6.752 210 H GLU 28 H GLU 28 1.414 -12.246 -7.448 211 HA GLU 28 HA GLU 28 4.210 -12.622 -8.069 212 1HB GLU 28 1HB GLU 28 2.700 -10.023 -8.246 213 2HB GLU 28 2HB GLU 28 4.102 -10.542 -9.176 214 1HG GLU 28 1HG GLU 28 2.370 -12.449 -9.898 215 2HG GLU 28 2HG GLU 28 1.245 -11.134 -9.570 216 H ASP 29 H ASP 29 5.813 -10.960 -7.390 217 HA ASP 29 HA ASP 29 5.854 -10.759 -4.545 218 1HB ASP 29 1HB ASP 29 7.684 -10.049 -6.777 219 2HB ASP 29 2HB ASP 29 7.918 -9.202 -5.250 220 HA PRO 30 HA PRO 30 3.360 -6.990 -4.547 221 1HB PRO 30 1HB PRO 30 4.208 -6.957 -1.710 222 2HB PRO 30 2HB PRO 30 2.588 -6.874 -2.406 223 1HG PRO 30 1HG PRO 30 3.471 -9.098 -1.204 224 2HG PRO 30 2HG PRO 30 2.410 -9.165 -2.623 225 1HD PRO 30 1HD PRO 30 5.349 -9.645 -2.427 226 2HD PRO 30 2HD PRO 30 4.139 -10.448 -3.448 227 H LYS 31 H LYS 31 6.472 -7.267 -2.851 228 HA LYS 31 HA LYS 31 7.115 -4.616 -2.544 229 1HB LYS 31 1HB LYS 31 8.538 -7.133 -2.615 230 2HB LYS 31 2HB LYS 31 9.506 -5.845 -3.309 231 1HG LYS 31 1HG LYS 31 9.826 -4.845 -1.324 232 2HG LYS 31 2HG LYS 31 8.170 -5.149 -0.790 233 1HD LYS 31 1HD LYS 31 9.022 -7.638 -0.674 234 2HD LYS 31 2HD LYS 31 10.599 -6.859 -0.536 235 1HE LYS 31 1HE LYS 31 10.187 -6.103 1.542 236 2HE LYS 31 2HE LYS 31 8.505 -5.719 1.176 237 1HZ LYS 31 1HZ LYS 31 9.568 -7.993 2.488 238 2HZ LYS 31 2HZ LYS 31 8.683 -8.471 1.128 239 3HZ LYS 31 3HZ LYS 31 7.953 -7.517 2.319 240 H ASP 32 H ASP 32 7.342 -6.612 -5.438 241 HA ASP 32 HA ASP 32 8.657 -4.689 -7.067 242 1HB ASP 32 1HB ASP 32 7.800 -7.325 -7.385 243 2HB ASP 32 2HB ASP 32 6.801 -6.412 -8.512 244 H VAL 33 H VAL 33 5.297 -5.453 -6.334 245 HA VAL 33 HA VAL 33 4.052 -3.660 -8.098 246 HB VAL 33 HB VAL 33 3.093 -4.449 -5.344 247 1HG1 VAL 33 1HG1 VAL 33 1.009 -4.039 -7.242 248 2HG1 VAL 33 2HG1 VAL 33 2.064 -2.624 -7.238 249 3HG1 VAL 33 3HG1 VAL 33 1.322 -3.174 -5.736 250 1HG2 VAL 33 1HG2 VAL 33 2.770 -5.793 -8.015 251 2HG2 VAL 33 2HG2 VAL 33 1.742 -6.143 -6.626 252 3HG2 VAL 33 3HG2 VAL 33 3.476 -6.463 -6.543 253 H LEU 34 H LEU 34 5.288 -3.265 -4.799 254 HA LEU 34 HA LEU 34 4.404 -0.708 -4.248 255 1HB LEU 34 1HB LEU 34 6.897 -2.180 -3.475 256 2HB LEU 34 2HB LEU 34 6.660 -0.516 -2.986 257 HG LEU 34 HG LEU 34 6.011 -2.295 -1.291 258 1HD1 LEU 34 1HD1 LEU 34 4.839 -0.677 -0.368 259 2HD1 LEU 34 2HD1 LEU 34 3.547 -0.846 -1.550 260 3HD1 LEU 34 3HD1 LEU 34 4.928 0.193 -1.899 261 1HD2 LEU 34 1HD2 LEU 34 4.872 -3.898 -2.572 262 2HD2 LEU 34 2HD2 LEU 34 3.847 -2.678 -3.327 263 3HD2 LEU 34 3HD2 LEU 34 3.626 -3.082 -1.631 264 H ASP 35 H ASP 35 7.103 -1.762 -6.226 265 HA ASP 35 HA ASP 35 8.264 0.755 -6.687 266 1HB ASP 35 1HB ASP 35 8.960 -1.740 -7.391 267 2HB ASP 35 2HB ASP 35 8.223 -1.228 -8.907 268 H ASP 36 H ASP 36 5.561 -0.951 -8.119 269 HA ASP 36 HA ASP 36 5.097 1.066 -10.140 270 1HB ASP 36 1HB ASP 36 4.253 -1.616 -9.676 271 2HB ASP 36 2HB ASP 36 2.812 -0.607 -9.775 272 H LEU 37 H LEU 37 3.579 0.039 -7.100 273 HA LEU 37 HA LEU 37 1.327 1.565 -6.971 274 1HB LEU 37 1HB LEU 37 3.344 0.780 -4.915 275 2HB LEU 37 2HB LEU 37 2.066 1.883 -4.463 276 HG LEU 37 HG LEU 37 1.193 -0.602 -5.802 277 1HD1 LEU 37 1HD1 LEU 37 2.740 -0.554 -3.273 278 2HD1 LEU 37 2HD1 LEU 37 2.568 -1.830 -4.479 279 3HD1 LEU 37 3HD1 LEU 37 1.280 -1.545 -3.310 280 1HD2 LEU 37 1HD2 LEU 37 -0.740 0.034 -4.914 281 2HD2 LEU 37 2HD2 LEU 37 0.057 1.484 -4.302 282 3HD2 LEU 37 3HD2 LEU 37 -0.043 0.039 -3.294 283 H GLY 38 H GLY 38 4.644 2.625 -6.584 284 1HA GLY 38 1HA GLY 38 5.601 4.695 -6.566 285 2HA GLY 38 2HA GLY 38 4.145 5.269 -7.365 286 H LEU 39 H LEU 39 5.263 4.265 -4.137 287 HA LEU 39 HA LEU 39 3.476 6.253 -2.948 288 1HB LEU 39 1HB LEU 39 5.095 4.129 -1.565 289 2HB LEU 39 2HB LEU 39 3.762 5.050 -0.894 290 HG LEU 39 HG LEU 39 2.528 3.874 -2.982 291 1HD1 LEU 39 1HD1 LEU 39 4.956 2.334 -2.454 292 2HD1 LEU 39 2HD1 LEU 39 3.902 2.342 -3.859 293 3HD1 LEU 39 3HD1 LEU 39 3.471 1.379 -2.444 294 1HD2 LEU 39 1HD2 LEU 39 2.291 3.846 -0.303 295 2HD2 LEU 39 2HD2 LEU 39 2.717 2.162 -0.606 296 3HD2 LEU 39 3HD2 LEU 39 1.306 2.869 -1.391 297 H LYS 40 H LYS 40 4.876 6.578 -0.501 298 HA LYS 40 HA LYS 40 7.067 8.298 -1.428 299 1HB LYS 40 1HB LYS 40 5.266 9.526 -0.408 300 2HB LYS 40 2HB LYS 40 5.299 8.489 1.011 301 1HG LYS 40 1HG LYS 40 6.402 10.365 1.755 302 2HG LYS 40 2HG LYS 40 7.744 9.335 1.253 303 1HD LYS 40 1HD LYS 40 6.986 10.751 -1.037 304 2HD LYS 40 2HD LYS 40 6.964 11.930 0.277 305 1HE LYS 40 1HE LYS 40 9.156 12.003 -0.540 306 2HE LYS 40 2HE LYS 40 9.257 11.004 0.910 307 1HZ LYS 40 1HZ LYS 40 8.765 9.193 -1.031 308 2HZ LYS 40 2HZ LYS 40 10.296 9.563 -0.415 309 3HZ LYS 40 3HZ LYS 40 9.755 10.305 -1.835 310 H ARG 41 H ARG 41 6.535 7.321 1.929 311 HA ARG 41 HA ARG 41 9.294 6.317 1.969 312 1HB ARG 41 1HB ARG 41 7.494 7.500 4.058 313 2HB ARG 41 2HB ARG 41 8.896 6.553 4.526 314 1HG ARG 41 1HG ARG 41 8.978 9.005 2.781 315 2HG ARG 41 2HG ARG 41 9.333 8.971 4.511 316 1HD ARG 41 1HD ARG 41 10.814 6.978 2.988 317 2HD ARG 41 2HD ARG 41 11.159 8.633 2.487 318 HE ARG 41 HE ARG 41 11.348 8.766 5.175 319 1HH1 ARG 41 1HH1 ARG 41 12.747 6.637 2.801 320 2HH1 ARG 41 2HH1 ARG 41 14.187 6.348 3.718 321 1HH2 ARG 41 1HH2 ARG 41 13.241 8.393 6.393 322 2HH2 ARG 41 2HH2 ARG 41 14.468 7.346 5.761 323 H TYR 42 H TYR 42 9.855 4.396 3.020 324 HA TYR 42 HA TYR 42 8.199 2.212 2.628 325 1HB TYR 42 1HB TYR 42 9.866 0.901 3.622 326 2HB TYR 42 2HB TYR 42 10.747 2.294 3.010 327 HD1 TYR 42 HD1 TYR 42 12.172 3.469 4.427 328 HD2 TYR 42 HD2 TYR 42 9.156 0.990 6.126 329 HE1 TYR 42 HE1 TYR 42 13.120 3.857 6.662 330 HE2 TYR 42 HE2 TYR 42 10.099 1.371 8.365 331 HH TYR 42 HH TYR 42 12.820 2.154 9.109 332 H CYS 43 H CYS 43 8.506 4.298 5.418 333 HA CYS 43 HA CYS 43 7.499 2.907 7.504 334 1HB CYS 43 1HB CYS 43 6.364 5.030 8.230 335 2HB CYS 43 2HB CYS 43 8.053 5.224 7.770 336 H CYS 44 H CYS 44 5.747 3.918 4.675 337 HA CYS 44 HA CYS 44 3.165 3.136 5.726 338 1HB CYS 44 1HB CYS 44 3.817 3.736 2.847 339 2HB CYS 44 2HB CYS 44 2.281 3.941 3.683 340 H ARG 45 H ARG 45 5.214 2.054 3.005 341 HA ARG 45 HA ARG 45 3.831 -0.130 2.172 342 1HB ARG 45 1HB ARG 45 6.814 -0.245 2.493 343 2HB ARG 45 2HB ARG 45 5.826 -0.987 1.243 344 1HG ARG 45 1HG ARG 45 6.594 1.885 1.573 345 2HG ARG 45 2HG ARG 45 6.851 0.812 0.197 346 1HD ARG 45 1HD ARG 45 5.045 1.662 -0.718 347 2HD ARG 45 2HD ARG 45 4.098 0.883 0.535 348 HE ARG 45 HE ARG 45 3.537 2.987 1.131 349 1HH1 ARG 45 1HH1 ARG 45 6.876 3.112 0.043 350 2HH1 ARG 45 2HH1 ARG 45 7.044 4.786 0.413 351 1HH2 ARG 45 1HH2 ARG 45 3.790 5.188 1.584 352 2HH2 ARG 45 2HH2 ARG 45 5.307 5.963 1.283 353 H ARG 46 H ARG 46 6.259 -0.144 4.787 354 HA ARG 46 HA ARG 46 6.337 -2.759 5.473 355 1HB ARG 46 1HB ARG 46 6.629 -1.965 7.856 356 2HB ARG 46 2HB ARG 46 7.679 -1.215 6.660 357 1HG ARG 46 1HG ARG 46 7.031 0.759 7.395 358 2HG ARG 46 2HG ARG 46 5.409 0.412 6.794 359 1HD ARG 46 1HD ARG 46 5.324 1.038 9.137 360 2HD ARG 46 2HD ARG 46 4.856 -0.650 8.938 361 HE ARG 46 HE ARG 46 6.698 -1.275 10.150 362 1HH1 ARG 46 1HH1 ARG 46 7.011 2.067 9.219 363 2HH1 ARG 46 2HH1 ARG 46 8.402 2.347 10.212 364 1HH2 ARG 46 1HH2 ARG 46 8.530 -0.916 11.460 365 2HH2 ARG 46 2HH2 ARG 46 9.266 0.652 11.486 366 H MET 47 H MET 47 3.710 -0.527 6.107 367 HA MET 47 HA MET 47 2.202 -2.521 7.600 368 1HB MET 47 1HB MET 47 1.743 0.359 6.872 369 2HB MET 47 2HB MET 47 0.419 -0.637 7.458 370 1HG MET 47 1HG MET 47 1.235 -0.743 9.570 371 2HG MET 47 2HG MET 47 2.914 -0.622 9.047 372 1HE MET 47 1HE MET 47 0.192 3.047 8.708 373 2HE MET 47 2HE MET 47 -0.187 1.397 8.213 374 3HE MET 47 3HE MET 47 0.982 2.348 7.294 375 H LEU 48 H LEU 48 2.326 -1.040 4.436 376 HA LEU 48 HA LEU 48 -0.191 -2.037 3.558 377 1HB LEU 48 1HB LEU 48 2.104 -1.117 1.834 378 2HB LEU 48 2HB LEU 48 0.411 -1.192 1.390 379 HG LEU 48 HG LEU 48 1.274 0.553 3.658 380 1HD1 LEU 48 1HD1 LEU 48 1.831 0.956 0.780 381 2HD1 LEU 48 2HD1 LEU 48 2.697 1.546 2.197 382 3HD1 LEU 48 3HD1 LEU 48 1.209 2.338 1.683 383 1HD2 LEU 48 1HD2 LEU 48 -1.021 0.499 3.544 384 2HD2 LEU 48 2HD2 LEU 48 -1.035 0.364 1.786 385 3HD2 LEU 48 3HD2 LEU 48 -0.644 1.905 2.549 386 H ILE 49 H ILE 49 3.021 -2.778 2.182 387 HA ILE 49 HA ILE 49 2.443 -4.906 0.646 388 HB ILE 49 HB ILE 49 4.710 -5.898 1.356 389 1HG1 ILE 49 1HG1 ILE 49 5.524 -3.311 2.428 390 2HG1 ILE 49 2HG1 ILE 49 4.387 -4.153 3.483 391 1HG2 ILE 49 1HG2 ILE 49 4.407 -3.133 0.217 392 2HG2 ILE 49 2HG2 ILE 49 4.482 -4.661 -0.660 393 3HG2 ILE 49 3HG2 ILE 49 5.912 -4.053 0.175 394 1HD1 ILE 49 1HD1 ILE 49 6.923 -5.361 2.416 395 2HD1 ILE 49 2HD1 ILE 49 5.835 -6.052 3.620 396 3HD1 ILE 49 3HD1 ILE 49 6.762 -4.599 3.999 397 H SER 50 H SER 50 2.553 -4.954 4.134 398 HA SER 50 HA SER 50 2.409 -7.811 4.344 399 1HB SER 50 1HB SER 50 2.616 -5.541 6.167 400 2HB SER 50 2HB SER 50 1.519 -6.786 6.766 401 HG SER 50 HG SER 50 4.067 -7.449 5.757 402 H HIS 51 H HIS 51 0.106 -5.494 5.739 403 HA HIS 51 HA HIS 51 -2.048 -7.367 5.226 404 1HB HIS 51 1HB HIS 51 -1.534 -5.721 7.324 405 2HB HIS 51 2HB HIS 51 -2.697 -4.750 6.426 406 HD2 HIS 51 HD2 HIS 51 -5.179 -5.224 7.257 407 HE1 HIS 51 HE1 HIS 51 -4.644 -9.270 8.378 408 HE2 HIS 51 HE2 HIS 51 -6.292 -7.347 8.250 409 H VAL 52 H VAL 52 -1.974 -3.819 4.892 410 HA VAL 52 HA VAL 52 -3.155 -2.450 3.485 411 HB VAL 52 HB VAL 52 -1.129 -2.969 2.179 412 1HG1 VAL 52 1HG1 VAL 52 -2.851 -5.102 0.936 413 2HG1 VAL 52 2HG1 VAL 52 -1.401 -5.349 1.907 414 3HG1 VAL 52 3HG1 VAL 52 -1.281 -4.581 0.323 415 1HG2 VAL 52 1HG2 VAL 52 -2.005 -1.467 0.808 416 2HG2 VAL 52 2HG2 VAL 52 -3.639 -2.019 1.175 417 3HG2 VAL 52 3HG2 VAL 52 -2.718 -2.788 -0.117 418 H GLU 53 H GLU 53 -4.755 -4.595 4.514 419 HA GLU 53 HA GLU 53 -6.813 -5.521 4.233 420 1HB GLU 53 1HB GLU 53 -6.974 -3.081 3.064 421 2HB GLU 53 2HB GLU 53 -7.378 -4.109 1.697 422 1HG GLU 53 1HG GLU 53 -9.002 -5.218 3.444 423 2HG GLU 53 2HG GLU 53 -8.853 -3.647 4.230 424 H THR 54 H THR 54 -6.289 -7.616 3.774 425 HA THR 54 HA THR 54 -6.734 -8.491 1.060 426 HB THR 54 HB THR 54 -4.569 -9.944 1.229 427 HG1 THR 54 HG1 THR 54 -3.867 -9.281 3.260 428 1HG2 THR 54 1HG2 THR 54 -5.208 -7.931 -0.327 429 2HG2 THR 54 2HG2 THR 54 -3.548 -8.524 -0.271 430 3HG2 THR 54 3HG2 THR 54 -3.999 -7.076 0.630 431 H TRP 55 H TRP 55 -8.210 -10.015 1.399 432 HA TRP 55 HA TRP 55 -7.680 -12.031 3.478 433 1HB TRP 55 1HB TRP 55 -9.497 -10.518 4.188 434 2HB TRP 55 2HB TRP 55 -10.386 -10.907 2.718 435 HD1 TRP 55 HD1 TRP 55 -12.213 -12.638 3.103 436 HE1 TRP 55 HE1 TRP 55 -12.596 -14.604 4.720 437 HE3 TRP 55 HE3 TRP 55 -7.824 -12.407 5.716 438 HZ2 TRP 55 HZ2 TRP 55 -11.221 -15.886 6.824 439 HZ3 TRP 55 HZ3 TRP 55 -7.437 -14.040 7.516 440 HH2 TRP 55 HH2 TRP 55 -9.100 -15.742 8.057 Start of MODEL 12 1 H MET 1 H MET 1 -7.418 2.226 0.283 2 HA MET 1 HA MET 1 -5.802 2.766 1.772 3 1HB MET 1 1HB MET 1 -4.845 4.885 1.630 4 2HB MET 1 2HB MET 1 -5.632 4.676 0.076 5 1HG MET 1 1HG MET 1 -6.965 6.426 0.383 6 2HG MET 1 2HG MET 1 -7.333 5.988 2.045 7 1HE MET 1 1HE MET 1 -4.982 7.192 4.236 8 2HE MET 1 2HE MET 1 -3.632 6.668 3.230 9 3HE MET 1 3HE MET 1 -5.050 5.636 3.411 10 H ILE 2 H ILE 2 -5.576 2.929 3.917 11 HA ILE 2 HA ILE 2 -7.799 2.970 5.581 12 HB ILE 2 HB ILE 2 -4.937 3.597 6.299 13 1HG1 ILE 2 1HG1 ILE 2 -6.390 0.964 6.549 14 2HG1 ILE 2 2HG1 ILE 2 -5.411 1.387 5.147 15 1HG2 ILE 2 1HG2 ILE 2 -7.081 2.557 8.128 16 2HG2 ILE 2 2HG2 ILE 2 -6.661 4.264 7.996 17 3HG2 ILE 2 3HG2 ILE 2 -5.459 3.101 8.555 18 1HD1 ILE 2 1HD1 ILE 2 -4.481 0.039 7.266 19 2HD1 ILE 2 2HD1 ILE 2 -4.102 1.689 7.765 20 3HD1 ILE 2 3HD1 ILE 2 -3.475 1.063 6.240 21 HA PRO 3 HA PRO 3 -8.562 7.363 6.036 22 1HB PRO 3 1HB PRO 3 -10.390 7.290 7.941 23 2HB PRO 3 2HB PRO 3 -10.730 6.479 6.402 24 1HG PRO 3 1HG PRO 3 -9.598 5.285 8.939 25 2HG PRO 3 2HG PRO 3 -11.054 4.769 8.043 26 1HD PRO 3 1HD PRO 3 -8.673 3.578 7.656 27 2HD PRO 3 2HD PRO 3 -9.796 3.842 6.308 28 H VAL 4 H VAL 4 -6.150 6.673 7.107 29 HA VAL 4 HA VAL 4 -5.315 8.416 8.924 30 HB VAL 4 HB VAL 4 -7.019 6.415 10.299 31 1HG1 VAL 4 1HG1 VAL 4 -4.509 7.400 11.681 32 2HG1 VAL 4 2HG1 VAL 4 -4.724 5.756 11.078 33 3HG1 VAL 4 3HG1 VAL 4 -5.768 6.368 12.360 34 1HG2 VAL 4 1HG2 VAL 4 -7.712 8.223 11.504 35 2HG2 VAL 4 2HG2 VAL 4 -7.108 9.060 10.075 36 3HG2 VAL 4 3HG2 VAL 4 -6.114 8.968 11.530 37 H ARG 5 H ARG 5 -3.313 7.619 10.167 38 HA ARG 5 HA ARG 5 -1.408 6.342 10.342 39 1HB ARG 5 1HB ARG 5 -3.228 4.415 9.592 40 2HB ARG 5 2HB ARG 5 -2.036 4.330 8.300 41 1HG ARG 5 1HG ARG 5 -1.284 2.784 9.865 42 2HG ARG 5 2HG ARG 5 -0.297 4.213 10.184 43 1HD ARG 5 1HD ARG 5 -2.178 4.794 11.888 44 2HD ARG 5 2HD ARG 5 -2.558 3.076 11.775 45 HE ARG 5 HE ARG 5 -0.311 4.266 13.099 46 1HH1 ARG 5 1HH1 ARG 5 -1.489 1.398 11.510 47 2HH1 ARG 5 2HH1 ARG 5 -0.396 0.337 12.334 48 1HH2 ARG 5 1HH2 ARG 5 1.130 2.877 14.190 49 2HH2 ARG 5 2HH2 ARG 5 1.093 1.177 13.858 50 H CYS 6 H CYS 6 0.053 5.037 8.417 51 HA CYS 6 HA CYS 6 0.465 7.167 6.430 52 1HB CYS 6 1HB CYS 6 2.276 5.754 8.184 53 2HB CYS 6 2HB CYS 6 2.754 5.543 6.502 54 H LEU 7 H LEU 7 -0.590 6.581 4.672 55 HA LEU 7 HA LEU 7 0.217 4.120 3.345 56 1HB LEU 7 1HB LEU 7 -2.643 5.037 3.622 57 2HB LEU 7 2HB LEU 7 -2.112 3.716 2.606 58 HG LEU 7 HG LEU 7 -2.990 2.609 4.423 59 1HD1 LEU 7 1HD1 LEU 7 -1.263 1.348 4.964 60 2HD1 LEU 7 2HD1 LEU 7 -0.568 2.626 5.955 61 3HD1 LEU 7 3HD1 LEU 7 -0.204 2.546 4.234 62 1HD2 LEU 7 1HD2 LEU 7 -2.874 3.335 6.710 63 2HD2 LEU 7 2HD2 LEU 7 -3.427 4.669 5.697 64 3HD2 LEU 7 3HD2 LEU 7 -1.762 4.635 6.279 65 H SER 8 H SER 8 1.093 6.745 2.997 66 HA SER 8 HA SER 8 0.680 7.120 0.224 67 1HB SER 8 1HB SER 8 -0.879 8.837 2.119 68 2HB SER 8 2HB SER 8 -0.241 9.561 0.642 69 HG SER 8 HG SER 8 -2.138 7.507 0.942 70 H CYS 9 H CYS 9 1.225 9.364 2.942 71 HA CYS 9 HA CYS 9 3.064 10.538 3.598 72 1HB CYS 9 1HB CYS 9 4.153 8.198 2.363 73 2HB CYS 9 2HB CYS 9 5.143 9.582 1.915 74 H GLY 10 H GLY 10 1.387 11.213 1.228 75 1HA GLY 10 1HA GLY 10 1.702 13.519 0.354 76 2HA GLY 10 2HA GLY 10 3.317 13.005 -0.114 77 H LYS 11 H LYS 11 2.076 10.325 -0.872 78 HA LYS 11 HA LYS 11 1.027 11.203 -3.481 79 1HB LYS 11 1HB LYS 11 3.106 9.288 -2.722 80 2HB LYS 11 2HB LYS 11 1.948 8.637 -3.874 81 1HG LYS 11 1HG LYS 11 3.824 9.590 -5.043 82 2HG LYS 11 2HG LYS 11 2.386 10.573 -5.342 83 1HD LYS 11 1HD LYS 11 3.434 11.721 -3.094 84 2HD LYS 11 2HD LYS 11 4.884 11.260 -3.988 85 1HE LYS 11 1HE LYS 11 3.172 12.358 -5.897 86 2HE LYS 11 2HE LYS 11 3.018 13.407 -4.488 87 1HZ LYS 11 1HZ LYS 11 4.957 14.314 -4.989 88 2HZ LYS 11 2HZ LYS 11 5.093 13.324 -6.353 89 3HZ LYS 11 3HZ LYS 11 5.732 12.815 -4.871 90 HA PRO 12 HA PRO 12 -2.512 8.680 -2.680 91 1HB PRO 12 1HB PRO 12 -3.425 8.266 -5.167 92 2HB PRO 12 2HB PRO 12 -3.425 9.870 -4.431 93 1HG PRO 12 1HG PRO 12 -1.620 8.729 -6.496 94 2HG PRO 12 2HG PRO 12 -2.179 10.396 -6.285 95 1HD PRO 12 1HD PRO 12 0.303 9.353 -5.493 96 2HD PRO 12 2HD PRO 12 -0.376 10.916 -5.009 97 H VAL 13 H VAL 13 -2.658 6.610 -2.081 98 HA VAL 13 HA VAL 13 -1.237 4.600 -3.687 99 HB VAL 13 HB VAL 13 -0.792 3.344 -1.775 100 1HG1 VAL 13 1HG1 VAL 13 0.558 5.348 -1.796 101 2HG1 VAL 13 2HG1 VAL 13 0.154 4.944 -0.124 102 3HG1 VAL 13 3HG1 VAL 13 -0.701 6.246 -0.951 103 1HG2 VAL 13 1HG2 VAL 13 -2.788 4.967 -0.207 104 2HG2 VAL 13 2HG2 VAL 13 -1.827 3.614 0.390 105 3HG2 VAL 13 3HG2 VAL 13 -3.067 3.344 -0.837 106 H SER 14 H SER 14 -4.327 5.686 -3.055 107 HA SER 14 HA SER 14 -5.775 3.305 -2.735 108 1HB SER 14 1HB SER 14 -6.885 5.676 -4.214 109 2HB SER 14 2HB SER 14 -7.700 4.590 -3.084 110 HG SER 14 HG SER 14 -7.198 6.662 -2.182 111 H ALA 15 H ALA 15 -5.714 5.280 -5.705 112 HA ALA 15 HA ALA 15 -6.801 3.406 -7.403 113 1HB ALA 15 1HB ALA 15 -6.376 4.882 -9.057 114 2HB ALA 15 2HB ALA 15 -4.691 5.096 -8.580 115 3HB ALA 15 3HB ALA 15 -5.969 5.941 -7.706 116 H TYR 16 H TYR 16 -3.582 3.536 -6.126 117 HA TYR 16 HA TYR 16 -2.517 1.717 -8.100 118 1HB TYR 16 1HB TYR 16 -1.442 3.299 -5.829 119 2HB TYR 16 2HB TYR 16 -0.560 1.849 -6.288 120 HD1 TYR 16 HD1 TYR 16 -1.025 5.289 -6.956 121 HD2 TYR 16 HD2 TYR 16 0.005 1.603 -8.818 122 HE1 TYR 16 HE1 TYR 16 0.049 6.524 -8.791 123 HE2 TYR 16 HE2 TYR 16 1.083 2.829 -10.658 124 HH TYR 16 HH TYR 16 2.130 5.672 -10.611 125 H PHE 17 H PHE 17 -3.837 1.552 -4.879 126 HA PHE 17 HA PHE 17 -2.814 -0.807 -3.901 127 1HB PHE 17 1HB PHE 17 -5.429 0.583 -3.623 128 2HB PHE 17 2HB PHE 17 -5.352 -1.089 -3.084 129 HD1 PHE 17 HD1 PHE 17 -2.217 0.602 -2.732 130 HD2 PHE 17 HD2 PHE 17 -6.010 0.004 -0.890 131 HE1 PHE 17 HE1 PHE 17 -1.284 1.329 -0.577 132 HE2 PHE 17 HE2 PHE 17 -5.080 0.733 1.267 133 HZ PHE 17 HZ PHE 17 -2.714 1.395 1.425 134 H ASN 18 H ASN 18 -5.102 -0.340 -6.495 135 HA ASN 18 HA ASN 18 -6.084 -2.967 -6.700 136 1HB ASN 18 1HB ASN 18 -5.894 -0.620 -8.527 137 2HB ASN 18 2HB ASN 18 -6.214 -2.192 -9.253 138 1HD2 ASN 18 1HD2 ASN 18 -7.862 0.271 -8.892 139 2HD2 ASN 18 2HD2 ASN 18 -9.323 -0.285 -8.143 140 H GLU 19 H GLU 19 -3.135 -1.446 -7.806 141 HA GLU 19 HA GLU 19 -2.278 -3.509 -9.548 142 1HB GLU 19 1HB GLU 19 -1.386 -1.003 -8.977 143 2HB GLU 19 2HB GLU 19 -0.195 -1.971 -8.123 144 1HG GLU 19 1HG GLU 19 0.828 -1.839 -10.134 145 2HG GLU 19 2HG GLU 19 -0.151 -3.276 -10.424 146 H TYR 20 H TYR 20 -1.669 -2.809 -6.133 147 HA TYR 20 HA TYR 20 0.068 -4.955 -5.587 148 1HB TYR 20 1HB TYR 20 -0.114 -3.233 -3.964 149 2HB TYR 20 2HB TYR 20 -1.861 -3.386 -3.879 150 HD1 TYR 20 HD1 TYR 20 1.300 -4.530 -2.581 151 HD2 TYR 20 HD2 TYR 20 -2.859 -5.394 -2.760 152 HE1 TYR 20 HE1 TYR 20 1.537 -6.033 -0.645 153 HE2 TYR 20 HE2 TYR 20 -2.638 -6.899 -0.827 154 HH TYR 20 HH TYR 20 0.503 -7.687 0.540 155 H GLN 21 H GLN 21 -3.447 -4.663 -5.338 156 HA GLN 21 HA GLN 21 -3.967 -7.256 -4.403 157 1HB GLN 21 1HB GLN 21 -5.676 -5.571 -4.273 158 2HB GLN 21 2HB GLN 21 -5.667 -5.352 -6.018 159 1HG GLN 21 1HG GLN 21 -6.843 -7.276 -6.408 160 2HG GLN 21 2HG GLN 21 -6.327 -8.030 -4.901 161 1HE2 GLN 21 1HE2 GLN 21 -7.361 -7.452 -2.966 162 2HE2 GLN 21 2HE2 GLN 21 -8.918 -6.703 -2.963 163 H ARG 22 H ARG 22 -4.008 -5.968 -7.723 164 HA ARG 22 HA ARG 22 -4.732 -8.280 -9.067 165 1HB ARG 22 1HB ARG 22 -4.605 -6.170 -10.228 166 2HB ARG 22 2HB ARG 22 -2.878 -6.051 -9.918 167 1HG ARG 22 1HG ARG 22 -2.622 -8.164 -11.284 168 2HG ARG 22 2HG ARG 22 -4.302 -7.933 -11.772 169 1HD ARG 22 1HD ARG 22 -3.408 -5.492 -12.308 170 2HD ARG 22 2HD ARG 22 -1.882 -6.361 -12.467 171 HE ARG 22 HE ARG 22 -2.645 -7.265 -14.422 172 1HH1 ARG 22 1HH1 ARG 22 -5.348 -5.974 -12.644 173 2HH1 ARG 22 2HH1 ARG 22 -6.479 -6.222 -13.932 174 1HH2 ARG 22 1HH2 ARG 22 -4.126 -7.596 -16.123 175 2HH2 ARG 22 2HH2 ARG 22 -5.784 -7.145 -15.910 176 H ARG 23 H ARG 23 -1.451 -7.129 -8.307 177 HA ARG 23 HA ARG 23 -0.102 -9.355 -9.380 178 1HB ARG 23 1HB ARG 23 0.563 -7.022 -7.741 179 2HB ARG 23 2HB ARG 23 1.546 -8.434 -7.372 180 1HG ARG 23 1HG ARG 23 2.754 -7.299 -9.005 181 2HG ARG 23 2HG ARG 23 1.942 -8.592 -9.892 182 1HD ARG 23 1HD ARG 23 0.439 -7.143 -10.888 183 2HD ARG 23 2HD ARG 23 0.641 -5.914 -9.640 184 HE ARG 23 HE ARG 23 3.084 -6.135 -10.905 185 1HH1 ARG 23 1HH1 ARG 23 -0.180 -5.301 -11.785 186 2HH1 ARG 23 2HH1 ARG 23 0.300 -4.228 -13.058 187 1HH2 ARG 23 1HH2 ARG 23 3.727 -4.726 -12.578 188 2HH2 ARG 23 2HH2 ARG 23 2.521 -3.901 -13.508 189 H VAL 24 H VAL 24 -0.610 -8.535 -5.944 190 HA VAL 24 HA VAL 24 0.241 -10.897 -4.821 191 HB VAL 24 HB VAL 24 -2.068 -9.207 -3.852 192 1HG1 VAL 24 1HG1 VAL 24 -2.248 -11.023 -2.488 193 2HG1 VAL 24 2HG1 VAL 24 -1.000 -10.139 -1.610 194 3HG1 VAL 24 3HG1 VAL 24 -0.552 -11.472 -2.676 195 1HG2 VAL 24 1HG2 VAL 24 0.674 -8.575 -4.136 196 2HG2 VAL 24 2HG2 VAL 24 0.353 -8.782 -2.413 197 3HG2 VAL 24 3HG2 VAL 24 -0.592 -7.627 -3.354 198 H ALA 25 H ALA 25 -2.826 -10.186 -6.362 199 HA ALA 25 HA ALA 25 -4.338 -12.358 -5.490 200 1HB ALA 25 1HB ALA 25 -4.437 -10.474 -7.735 201 2HB ALA 25 2HB ALA 25 -5.719 -11.030 -6.660 202 3HB ALA 25 3HB ALA 25 -5.229 -12.022 -8.033 203 H ASP 26 H ASP 26 -2.435 -12.088 -8.494 204 HA ASP 26 HA ASP 26 -2.727 -14.827 -9.182 205 1HB ASP 26 1HB ASP 26 -2.108 -12.813 -10.691 206 2HB ASP 26 2HB ASP 26 -0.460 -13.091 -10.133 207 H GLY 27 H GLY 27 -0.365 -13.010 -7.337 208 1HA GLY 27 1HA GLY 27 0.717 -14.351 -5.543 209 2HA GLY 27 2HA GLY 27 1.053 -15.545 -6.788 210 H GLU 28 H GLU 28 1.344 -12.089 -7.311 211 HA GLU 28 HA GLU 28 4.153 -12.453 -7.946 212 1HB GLU 28 1HB GLU 28 2.587 -9.887 -8.149 213 2HB GLU 28 2HB GLU 28 4.042 -10.345 -9.021 214 1HG GLU 28 1HG GLU 28 2.402 -12.299 -9.838 215 2HG GLU 28 2HG GLU 28 1.228 -11.017 -9.551 216 H ASP 29 H ASP 29 5.758 -10.873 -7.188 217 HA ASP 29 HA ASP 29 5.687 -10.631 -4.352 218 1HB ASP 29 1HB ASP 29 7.654 -10.520 -6.387 219 2HB ASP 29 2HB ASP 29 7.747 -9.000 -5.501 220 HA PRO 30 HA PRO 30 3.360 -6.758 -4.436 221 1HB PRO 30 1HB PRO 30 4.112 -6.728 -1.576 222 2HB PRO 30 2HB PRO 30 2.519 -6.618 -2.327 223 1HG PRO 30 1HG PRO 30 3.313 -8.847 -1.069 224 2HG PRO 30 2HG PRO 30 2.291 -8.905 -2.519 225 1HD PRO 30 1HD PRO 30 5.216 -9.442 -2.235 226 2HD PRO 30 2HD PRO 30 4.014 -10.243 -3.267 227 H LYS 31 H LYS 31 6.451 -7.191 -2.739 228 HA LYS 31 HA LYS 31 7.213 -4.578 -2.357 229 1HB LYS 31 1HB LYS 31 8.529 -7.158 -2.582 230 2HB LYS 31 2HB LYS 31 9.535 -5.859 -3.199 231 1HG LYS 31 1HG LYS 31 9.937 -5.043 -1.154 232 2HG LYS 31 2HG LYS 31 8.260 -5.249 -0.640 233 1HD LYS 31 1HD LYS 31 8.644 -7.610 -0.242 234 2HD LYS 31 2HD LYS 31 10.297 -7.467 -0.843 235 1HE LYS 31 1HE LYS 31 11.040 -6.745 1.128 236 2HE LYS 31 2HE LYS 31 9.754 -5.545 1.248 237 1HZ LYS 31 1HZ LYS 31 8.921 -6.794 2.863 238 2HZ LYS 31 2HZ LYS 31 9.987 -8.068 2.543 239 3HZ LYS 31 3HZ LYS 31 8.525 -7.955 1.698 240 H ASP 32 H ASP 32 7.365 -6.526 -5.290 241 HA ASP 32 HA ASP 32 8.663 -4.580 -6.909 242 1HB ASP 32 1HB ASP 32 7.838 -7.222 -7.238 243 2HB ASP 32 2HB ASP 32 6.820 -6.316 -8.353 244 H VAL 33 H VAL 33 5.312 -5.379 -6.165 245 HA VAL 33 HA VAL 33 4.044 -3.624 -7.941 246 HB VAL 33 HB VAL 33 3.112 -4.403 -5.174 247 1HG1 VAL 33 1HG1 VAL 33 1.174 -3.355 -5.571 248 2HG1 VAL 33 2HG1 VAL 33 1.126 -3.883 -7.253 249 3HG1 VAL 33 3HG1 VAL 33 2.074 -2.467 -6.800 250 1HG2 VAL 33 1HG2 VAL 33 3.463 -6.412 -6.372 251 2HG2 VAL 33 2HG2 VAL 33 2.785 -5.733 -7.852 252 3HG2 VAL 33 3HG2 VAL 33 1.734 -6.079 -6.479 253 H LEU 34 H LEU 34 5.247 -3.144 -4.634 254 HA LEU 34 HA LEU 34 4.384 -0.580 -4.129 255 1HB LEU 34 1HB LEU 34 6.880 -2.050 -3.385 256 2HB LEU 34 2HB LEU 34 6.699 -0.366 -2.948 257 HG LEU 34 HG LEU 34 6.058 -2.119 -1.197 258 1HD1 LEU 34 1HD1 LEU 34 5.318 0.431 -1.541 259 2HD1 LEU 34 2HD1 LEU 34 4.772 -0.560 -0.189 260 3HD1 LEU 34 3HD1 LEU 34 3.735 -0.343 -1.598 261 1HD2 LEU 34 1HD2 LEU 34 3.794 -2.407 -3.143 262 2HD2 LEU 34 2HD2 LEU 34 3.601 -2.756 -1.427 263 3HD2 LEU 34 3HD2 LEU 34 4.768 -3.667 -2.384 264 H ASP 35 H ASP 35 7.206 -1.607 -5.992 265 HA ASP 35 HA ASP 35 8.240 0.933 -6.551 266 1HB ASP 35 1HB ASP 35 9.127 -1.511 -7.084 267 2HB ASP 35 2HB ASP 35 8.356 -1.205 -8.637 268 H ASP 36 H ASP 36 5.619 -0.902 -7.952 269 HA ASP 36 HA ASP 36 5.204 0.964 -10.126 270 1HB ASP 36 1HB ASP 36 4.227 -1.679 -9.373 271 2HB ASP 36 2HB ASP 36 2.935 -0.631 -9.949 272 H LEU 37 H LEU 37 3.625 0.092 -7.079 273 HA LEU 37 HA LEU 37 1.336 1.577 -7.112 274 1HB LEU 37 1HB LEU 37 3.291 0.915 -4.954 275 2HB LEU 37 2HB LEU 37 1.975 2.011 -4.591 276 HG LEU 37 HG LEU 37 1.152 -0.498 -5.895 277 1HD1 LEU 37 1HD1 LEU 37 2.645 -1.660 -4.589 278 2HD1 LEU 37 2HD1 LEU 37 1.255 -1.560 -3.508 279 3HD1 LEU 37 3HD1 LEU 37 2.618 -0.459 -3.298 280 1HD2 LEU 37 1HD2 LEU 37 -0.052 0.153 -3.358 281 2HD2 LEU 37 2HD2 LEU 37 -0.782 0.068 -4.961 282 3HD2 LEU 37 3HD2 LEU 37 -0.012 1.560 -4.421 283 H GLY 38 H GLY 38 4.613 2.707 -6.482 284 1HA GLY 38 1HA GLY 38 5.473 4.803 -6.970 285 2HA GLY 38 2HA GLY 38 3.845 5.389 -7.263 286 H LEU 39 H LEU 39 5.346 3.868 -4.416 287 HA LEU 39 HA LEU 39 4.753 6.329 -2.916 288 1HB LEU 39 1HB LEU 39 4.698 3.959 -1.252 289 2HB LEU 39 2HB LEU 39 3.526 5.254 -1.388 290 HG LEU 39 HG LEU 39 2.774 4.008 -3.540 291 1HD1 LEU 39 1HD1 LEU 39 4.600 2.088 -2.235 292 2HD1 LEU 39 2HD1 LEU 39 4.197 2.287 -3.938 293 3HD1 LEU 39 3HD1 LEU 39 3.078 1.453 -2.856 294 1HD2 LEU 39 1HD2 LEU 39 1.021 3.525 -2.279 295 2HD2 LEU 39 2HD2 LEU 39 1.968 4.015 -0.875 296 3HD2 LEU 39 3HD2 LEU 39 1.928 2.322 -1.366 297 H LYS 40 H LYS 40 6.592 7.210 -2.254 298 HA LYS 40 HA LYS 40 9.065 5.824 -2.185 299 1HB LYS 40 1HB LYS 40 8.173 8.519 -1.976 300 2HB LYS 40 2HB LYS 40 9.190 8.187 -0.581 301 1HG LYS 40 1HG LYS 40 10.582 9.058 -2.291 302 2HG LYS 40 2HG LYS 40 10.931 7.333 -2.158 303 1HD LYS 40 1HD LYS 40 9.801 6.830 -4.143 304 2HD LYS 40 2HD LYS 40 8.937 8.368 -4.145 305 1HE LYS 40 1HE LYS 40 10.828 9.563 -4.825 306 2HE LYS 40 2HE LYS 40 11.924 8.259 -4.375 307 1HZ LYS 40 1HZ LYS 40 9.921 7.895 -6.514 308 2HZ LYS 40 2HZ LYS 40 11.345 7.025 -6.239 309 3HZ LYS 40 3HZ LYS 40 11.421 8.605 -6.836 310 H ARG 41 H ARG 41 10.379 6.519 0.077 311 HA ARG 41 HA ARG 41 10.866 5.628 2.127 312 1HB ARG 41 1HB ARG 41 8.004 6.472 2.642 313 2HB ARG 41 2HB ARG 41 9.206 6.142 3.882 314 1HG ARG 41 1HG ARG 41 9.196 8.392 1.888 315 2HG ARG 41 2HG ARG 41 9.052 8.495 3.644 316 1HD ARG 41 1HD ARG 41 11.413 7.141 3.313 317 2HD ARG 41 2HD ARG 41 11.429 8.275 1.964 318 HE ARG 41 HE ARG 41 10.711 9.595 4.362 319 1HH1 ARG 41 1HH1 ARG 41 13.442 8.219 2.697 320 2HH1 ARG 41 2HH1 ARG 41 14.597 9.260 3.460 321 1HH2 ARG 41 1HH2 ARG 41 12.222 10.974 5.373 322 2HH2 ARG 41 2HH2 ARG 41 13.904 10.828 4.982 323 H TYR 42 H TYR 42 9.642 4.258 4.031 324 HA TYR 42 HA TYR 42 8.143 2.072 2.825 325 1HB TYR 42 1HB TYR 42 10.802 1.725 3.043 326 2HB TYR 42 2HB TYR 42 10.317 1.222 4.660 327 HD1 TYR 42 HD1 TYR 42 8.647 -0.658 4.901 328 HD2 TYR 42 HD2 TYR 42 10.472 0.313 1.179 329 HE1 TYR 42 HE1 TYR 42 8.027 -2.869 4.025 330 HE2 TYR 42 HE2 TYR 42 9.855 -1.895 0.294 331 HH TYR 42 HH TYR 42 8.898 -3.867 0.728 332 H CYS 43 H CYS 43 7.944 4.333 4.953 333 HA CYS 43 HA CYS 43 7.449 2.930 7.395 334 1HB CYS 43 1HB CYS 43 6.653 5.021 8.250 335 2HB CYS 43 2HB CYS 43 8.059 5.361 7.246 336 H CYS 44 H CYS 44 5.635 3.819 4.560 337 HA CYS 44 HA CYS 44 3.104 2.915 5.705 338 1HB CYS 44 1HB CYS 44 3.456 3.482 2.791 339 2HB CYS 44 2HB CYS 44 2.054 3.754 3.812 340 H ARG 45 H ARG 45 5.306 2.045 3.056 341 HA ARG 45 HA ARG 45 4.065 -0.113 1.995 342 1HB ARG 45 1HB ARG 45 7.015 -0.056 2.574 343 2HB ARG 45 2HB ARG 45 6.213 -1.010 1.350 344 1HG ARG 45 1HG ARG 45 7.328 1.584 1.137 345 2HG ARG 45 2HG ARG 45 6.631 0.570 -0.113 346 1HD ARG 45 1HD ARG 45 5.086 2.116 -0.401 347 2HD ARG 45 2HD ARG 45 4.432 1.733 1.175 348 HE ARG 45 HE ARG 45 6.624 3.510 1.412 349 1HH1 ARG 45 1HH1 ARG 45 3.290 3.425 0.407 350 2HH1 ARG 45 2HH1 ARG 45 3.011 5.101 0.748 351 1HH2 ARG 45 1HH2 ARG 45 6.264 5.715 1.866 352 2HH2 ARG 45 2HH2 ARG 45 4.700 6.401 1.577 353 H ARG 46 H ARG 46 6.412 -0.360 4.682 354 HA ARG 46 HA ARG 46 6.289 -3.022 5.222 355 1HB ARG 46 1HB ARG 46 6.728 -2.436 7.603 356 2HB ARG 46 2HB ARG 46 7.751 -1.571 6.463 357 1HG ARG 46 1HG ARG 46 7.119 0.348 7.348 358 2HG ARG 46 2HG ARG 46 5.445 0.004 6.907 359 1HD ARG 46 1HD ARG 46 5.318 -1.383 9.021 360 2HD ARG 46 2HD ARG 46 6.867 -0.671 9.469 361 HE ARG 46 HE ARG 46 5.149 1.419 8.838 362 1HH1 ARG 46 1HH1 ARG 46 5.401 -1.121 11.204 363 2HH1 ARG 46 2HH1 ARG 46 4.581 -0.230 12.441 364 1HH2 ARG 46 1HH2 ARG 46 4.066 2.605 10.459 365 2HH2 ARG 46 2HH2 ARG 46 3.822 1.890 12.018 366 H MET 47 H MET 47 3.859 -0.614 5.942 367 HA MET 47 HA MET 47 2.217 -2.500 7.419 368 1HB MET 47 1HB MET 47 1.716 0.362 6.584 369 2HB MET 47 2HB MET 47 0.624 -0.597 7.571 370 1HG MET 47 1HG MET 47 2.674 -0.876 9.126 371 2HG MET 47 2HG MET 47 3.300 0.526 8.261 372 1HE MET 47 1HE MET 47 0.649 3.147 8.697 373 2HE MET 47 2HE MET 47 -0.411 1.804 8.273 374 3HE MET 47 3HE MET 47 1.127 2.012 7.437 375 H LEU 48 H LEU 48 2.452 -1.045 4.257 376 HA LEU 48 HA LEU 48 -0.119 -1.962 3.371 377 1HB LEU 48 1HB LEU 48 2.196 -0.987 1.701 378 2HB LEU 48 2HB LEU 48 0.522 -1.114 1.197 379 HG LEU 48 HG LEU 48 1.263 0.654 3.490 380 1HD1 LEU 48 1HD1 LEU 48 1.127 1.791 0.750 381 2HD1 LEU 48 2HD1 LEU 48 2.627 1.021 1.265 382 3HD1 LEU 48 3HD1 LEU 48 1.974 2.381 2.178 383 1HD2 LEU 48 1HD2 LEU 48 -0.978 0.483 1.510 384 2HD2 LEU 48 2HD2 LEU 48 -0.684 1.942 2.455 385 3HD2 LEU 48 3HD2 LEU 48 -1.050 0.422 3.271 386 H ILE 49 H ILE 49 3.165 -2.692 2.157 387 HA ILE 49 HA ILE 49 2.646 -4.773 0.515 388 HB ILE 49 HB ILE 49 4.847 -5.817 1.288 389 1HG1 ILE 49 1HG1 ILE 49 5.676 -3.347 2.576 390 2HG1 ILE 49 2HG1 ILE 49 4.427 -4.184 3.498 391 1HG2 ILE 49 1HG2 ILE 49 4.898 -4.515 -0.645 392 2HG2 ILE 49 2HG2 ILE 49 6.139 -3.805 0.386 393 3HG2 ILE 49 3HG2 ILE 49 4.564 -3.026 0.238 394 1HD1 ILE 49 1HD1 ILE 49 6.885 -5.582 2.502 395 2HD1 ILE 49 2HD1 ILE 49 5.754 -6.097 3.754 396 3HD1 ILE 49 3HD1 ILE 49 6.833 -4.734 4.048 397 H SER 50 H SER 50 2.592 -4.921 4.010 398 HA SER 50 HA SER 50 2.392 -7.785 4.094 399 1HB SER 50 1HB SER 50 2.619 -5.595 6.025 400 2HB SER 50 2HB SER 50 1.554 -6.892 6.566 401 HG SER 50 HG SER 50 3.259 -8.045 6.928 402 H HIS 51 H HIS 51 0.145 -5.499 5.626 403 HA HIS 51 HA HIS 51 -2.031 -7.330 5.093 404 1HB HIS 51 1HB HIS 51 -1.778 -6.292 7.314 405 2HB HIS 51 2HB HIS 51 -2.023 -4.704 6.596 406 HD2 HIS 51 HD2 HIS 51 -4.426 -4.026 7.606 407 HE1 HIS 51 HE1 HIS 51 -6.468 -7.558 6.474 408 HE2 HIS 51 HE2 HIS 51 -6.714 -5.245 7.485 409 H VAL 52 H VAL 52 -2.009 -3.779 4.890 410 HA VAL 52 HA VAL 52 -3.214 -2.367 3.562 411 HB VAL 52 HB VAL 52 -1.229 -2.933 2.170 412 1HG1 VAL 52 1HG1 VAL 52 -1.571 -5.234 1.717 413 2HG1 VAL 52 2HG1 VAL 52 -1.648 -4.381 0.174 414 3HG1 VAL 52 3HG1 VAL 52 -3.133 -4.919 0.961 415 1HG2 VAL 52 1HG2 VAL 52 -3.095 -1.276 1.581 416 2HG2 VAL 52 2HG2 VAL 52 -3.595 -2.481 0.393 417 3HG2 VAL 52 3HG2 VAL 52 -1.985 -1.770 0.303 418 H GLU 53 H GLU 53 -4.695 -4.705 4.551 419 HA GLU 53 HA GLU 53 -6.764 -5.625 4.342 420 1HB GLU 53 1HB GLU 53 -6.915 -3.086 3.080 421 2HB GLU 53 2HB GLU 53 -7.820 -4.218 2.085 422 1HG GLU 53 1HG GLU 53 -8.869 -4.933 4.358 423 2HG GLU 53 2HG GLU 53 -8.309 -3.348 4.886 424 H THR 54 H THR 54 -6.674 -7.654 3.633 425 HA THR 54 HA THR 54 -6.953 -8.169 0.794 426 HB THR 54 HB THR 54 -5.115 -9.839 0.752 427 HG1 THR 54 HG1 THR 54 -3.479 -9.373 2.511 428 1HG2 THR 54 1HG2 THR 54 -4.276 -7.008 1.384 429 2HG2 THR 54 2HG2 THR 54 -4.739 -7.633 -0.198 430 3HG2 THR 54 3HG2 THR 54 -3.269 -8.214 0.583 431 H TRP 55 H TRP 55 -8.328 -9.803 0.475 432 HA TRP 55 HA TRP 55 -8.816 -11.657 2.714 433 1HB TRP 55 1HB TRP 55 -10.656 -10.101 1.020 434 2HB TRP 55 2HB TRP 55 -11.110 -11.788 1.237 435 HD1 TRP 55 HD1 TRP 55 -9.390 -9.943 4.094 436 HE1 TRP 55 HE1 TRP 55 -11.072 -9.643 6.019 437 HE3 TRP 55 HE3 TRP 55 -13.628 -11.548 1.727 438 HZ2 TRP 55 HZ2 TRP 55 -13.830 -10.035 6.474 439 HZ3 TRP 55 HZ3 TRP 55 -15.746 -11.554 2.977 440 HH2 TRP 55 HH2 TRP 55 -15.843 -10.812 5.301 Start of MODEL 13 1 H MET 1 H MET 1 -7.262 4.202 0.217 2 HA MET 1 HA MET 1 -5.826 2.794 2.106 3 1HB MET 1 1HB MET 1 -4.482 4.893 2.386 4 2HB MET 1 2HB MET 1 -4.697 4.381 0.719 5 1HG MET 1 1HG MET 1 -5.321 6.470 0.308 6 2HG MET 1 2HG MET 1 -6.829 6.066 1.127 7 1HE MET 1 1HE MET 1 -3.129 8.082 2.544 8 2HE MET 1 2HE MET 1 -3.288 6.406 2.019 9 3HE MET 1 3HE MET 1 -3.442 6.813 3.729 10 H ILE 2 H ILE 2 -4.943 4.139 4.146 11 HA ILE 2 HA ILE 2 -7.321 4.697 5.792 12 HB ILE 2 HB ILE 2 -4.645 3.557 6.605 13 1HG1 ILE 2 1HG1 ILE 2 -6.049 1.592 7.273 14 2HG1 ILE 2 2HG1 ILE 2 -7.428 2.378 6.513 15 1HG2 ILE 2 1HG2 ILE 2 -7.013 3.956 8.412 16 2HG2 ILE 2 2HG2 ILE 2 -5.698 5.125 8.286 17 3HG2 ILE 2 3HG2 ILE 2 -5.370 3.487 8.847 18 1HD1 ILE 2 1HD1 ILE 2 -6.692 1.949 4.415 19 2HD1 ILE 2 2HD1 ILE 2 -5.968 0.580 5.257 20 3HD1 ILE 2 3HD1 ILE 2 -4.992 1.999 4.878 21 HA PRO 3 HA PRO 3 -5.639 8.796 6.354 22 1HB PRO 3 1HB PRO 3 -7.122 9.600 8.422 23 2HB PRO 3 2HB PRO 3 -7.878 9.299 6.849 24 1HG PRO 3 1HG PRO 3 -7.676 7.459 9.226 25 2HG PRO 3 2HG PRO 3 -9.132 7.915 8.307 26 1HD PRO 3 1HD PRO 3 -7.815 5.618 7.807 27 2HD PRO 3 2HD PRO 3 -8.561 6.561 6.499 28 H VAL 4 H VAL 4 -4.840 10.121 8.375 29 HA VAL 4 HA VAL 4 -3.411 10.300 10.141 30 HB VAL 4 HB VAL 4 -5.039 7.887 10.750 31 1HG1 VAL 4 1HG1 VAL 4 -3.179 6.876 11.663 32 2HG1 VAL 4 2HG1 VAL 4 -3.762 7.821 13.038 33 3HG1 VAL 4 3HG1 VAL 4 -2.410 8.413 12.071 34 1HG2 VAL 4 1HG2 VAL 4 -5.185 9.346 12.937 35 2HG2 VAL 4 2HG2 VAL 4 -6.087 9.769 11.482 36 3HG2 VAL 4 3HG2 VAL 4 -4.578 10.603 11.858 37 H ARG 5 H ARG 5 -3.233 6.794 9.728 38 HA ARG 5 HA ARG 5 -0.518 6.528 10.061 39 1HB ARG 5 1HB ARG 5 -2.666 4.867 9.523 40 2HB ARG 5 2HB ARG 5 -1.591 4.606 8.150 41 1HG ARG 5 1HG ARG 5 -1.045 2.993 9.807 42 2HG ARG 5 2HG ARG 5 0.251 4.192 9.805 43 1HD ARG 5 1HD ARG 5 -1.863 4.925 11.630 44 2HD ARG 5 2HD ARG 5 -1.229 3.321 11.997 45 HE ARG 5 HE ARG 5 1.018 4.748 11.718 46 1HH1 ARG 5 1HH1 ARG 5 -1.904 5.369 13.515 47 2HH1 ARG 5 2HH1 ARG 5 -1.103 6.287 14.745 48 1HH2 ARG 5 1HH2 ARG 5 2.077 5.954 13.333 49 2HH2 ARG 5 2HH2 ARG 5 1.159 6.620 14.642 50 H CYS 6 H CYS 6 0.667 5.215 8.058 51 HA CYS 6 HA CYS 6 0.939 7.282 5.986 52 1HB CYS 6 1HB CYS 6 2.849 5.851 7.601 53 2HB CYS 6 2HB CYS 6 3.165 5.564 5.893 54 H LEU 7 H LEU 7 -0.365 6.669 4.373 55 HA LEU 7 HA LEU 7 0.318 4.182 3.009 56 1HB LEU 7 1HB LEU 7 -2.503 5.131 3.496 57 2HB LEU 7 2HB LEU 7 -2.061 3.775 2.482 58 HG LEU 7 HG LEU 7 -2.789 2.730 4.402 59 1HD1 LEU 7 1HD1 LEU 7 -1.025 1.484 4.867 60 2HD1 LEU 7 2HD1 LEU 7 -0.225 2.810 5.703 61 3HD1 LEU 7 3HD1 LEU 7 -0.044 2.627 3.961 62 1HD2 LEU 7 1HD2 LEU 7 -1.332 4.608 6.222 63 2HD2 LEU 7 2HD2 LEU 7 -2.700 3.550 6.573 64 3HD2 LEU 7 3HD2 LEU 7 -2.931 4.993 5.586 65 H SER 8 H SER 8 1.194 6.781 2.526 66 HA SER 8 HA SER 8 0.649 7.070 -0.216 67 1HB SER 8 1HB SER 8 -0.861 8.876 1.653 68 2HB SER 8 2HB SER 8 -0.368 9.456 0.062 69 HG SER 8 HG SER 8 -2.472 8.513 0.071 70 H CYS 9 H CYS 9 1.389 9.130 2.602 71 HA CYS 9 HA CYS 9 3.159 10.473 3.085 72 1HB CYS 9 1HB CYS 9 4.250 8.145 1.800 73 2HB CYS 9 2HB CYS 9 5.201 9.557 1.354 74 H GLY 10 H GLY 10 1.380 11.010 0.713 75 1HA GLY 10 1HA GLY 10 1.595 13.319 -0.212 76 2HA GLY 10 2HA GLY 10 3.208 12.839 -0.717 77 H LYS 11 H LYS 11 2.056 10.104 -1.361 78 HA LYS 11 HA LYS 11 0.823 10.856 -3.926 79 1HB LYS 11 1HB LYS 11 3.104 9.136 -3.276 80 2HB LYS 11 2HB LYS 11 1.943 8.382 -4.363 81 1HG LYS 11 1HG LYS 11 3.691 9.499 -5.611 82 2HG LYS 11 2HG LYS 11 2.140 10.302 -5.876 83 1HD LYS 11 1HD LYS 11 3.244 11.562 -3.650 84 2HD LYS 11 2HD LYS 11 4.590 11.356 -4.771 85 1HE LYS 11 1HE LYS 11 2.823 12.241 -6.518 86 2HE LYS 11 2HE LYS 11 2.085 12.936 -5.075 87 1HZ LYS 11 1HZ LYS 11 4.901 13.365 -5.915 88 2HZ LYS 11 2HZ LYS 11 4.129 14.085 -4.593 89 3HZ LYS 11 3HZ LYS 11 3.637 14.460 -6.167 90 HA PRO 12 HA PRO 12 -2.632 8.390 -2.639 91 1HB PRO 12 1HB PRO 12 -3.693 7.869 -5.101 92 2HB PRO 12 2HB PRO 12 -3.890 9.409 -4.256 93 1HG PRO 12 1HG PRO 12 -1.962 8.670 -6.424 94 2HG PRO 12 2HG PRO 12 -2.909 10.157 -6.228 95 1HD PRO 12 1HD PRO 12 -0.298 10.033 -5.573 96 2HD PRO 12 2HD PRO 12 -1.450 11.026 -4.657 97 H VAL 13 H VAL 13 -2.746 6.303 -2.107 98 HA VAL 13 HA VAL 13 -1.269 4.369 -3.756 99 HB VAL 13 HB VAL 13 -0.929 3.017 -1.843 100 1HG1 VAL 13 1HG1 VAL 13 0.640 4.773 -1.865 101 2HG1 VAL 13 2HG1 VAL 13 0.079 4.671 -0.194 102 3HG1 VAL 13 3HG1 VAL 13 -0.536 5.938 -1.257 103 1HG2 VAL 13 1HG2 VAL 13 -1.904 3.454 0.347 104 2HG2 VAL 13 2HG2 VAL 13 -3.171 3.211 -0.858 105 3HG2 VAL 13 3HG2 VAL 13 -2.782 4.839 -0.306 106 H SER 14 H SER 14 -4.400 5.274 -2.710 107 HA SER 14 HA SER 14 -5.742 2.825 -2.706 108 1HB SER 14 1HB SER 14 -7.015 5.342 -3.755 109 2HB SER 14 2HB SER 14 -7.732 4.065 -2.766 110 HG SER 14 HG SER 14 -6.041 4.832 -1.164 111 H ALA 15 H ALA 15 -5.343 5.157 -5.376 112 HA ALA 15 HA ALA 15 -6.671 3.636 -7.323 113 1HB ALA 15 1HB ALA 15 -6.225 5.371 -8.652 114 2HB ALA 15 2HB ALA 15 -4.487 5.238 -8.384 115 3HB ALA 15 3HB ALA 15 -5.491 6.120 -7.234 116 H TYR 16 H TYR 16 -3.411 3.492 -6.090 117 HA TYR 16 HA TYR 16 -2.509 1.727 -8.199 118 1HB TYR 16 1HB TYR 16 -1.275 3.137 -5.893 119 2HB TYR 16 2HB TYR 16 -0.490 1.663 -6.445 120 HD1 TYR 16 HD1 TYR 16 -0.946 5.161 -7.025 121 HD2 TYR 16 HD2 TYR 16 0.158 1.512 -8.917 122 HE1 TYR 16 HE1 TYR 16 0.141 6.432 -8.828 123 HE2 TYR 16 HE2 TYR 16 1.249 2.775 -10.725 124 HH TYR 16 HH TYR 16 2.061 4.852 -11.293 125 H PHE 17 H PHE 17 -3.786 1.508 -4.980 126 HA PHE 17 HA PHE 17 -2.861 -0.895 -4.045 127 1HB PHE 17 1HB PHE 17 -5.452 0.545 -3.785 128 2HB PHE 17 2HB PHE 17 -5.415 -1.135 -3.270 129 HD1 PHE 17 HD1 PHE 17 -2.268 0.536 -2.874 130 HD2 PHE 17 HD2 PHE 17 -6.062 -0.109 -1.050 131 HE1 PHE 17 HE1 PHE 17 -1.337 1.215 -0.702 132 HE2 PHE 17 HE2 PHE 17 -5.133 0.570 1.124 133 HZ PHE 17 HZ PHE 17 -2.769 1.233 1.300 134 H ASN 18 H ASN 18 -4.997 -0.333 -6.727 135 HA ASN 18 HA ASN 18 -6.088 -2.917 -6.996 136 1HB ASN 18 1HB ASN 18 -6.451 -0.568 -8.303 137 2HB ASN 18 2HB ASN 18 -5.471 -1.433 -9.484 138 1HD2 ASN 18 1HD2 ASN 18 -7.627 -1.021 -10.600 139 2HD2 ASN 18 2HD2 ASN 18 -8.790 -2.302 -10.494 140 H GLU 19 H GLU 19 -3.069 -1.470 -8.060 141 HA GLU 19 HA GLU 19 -2.163 -3.559 -9.714 142 1HB GLU 19 1HB GLU 19 -1.227 -1.128 -9.242 143 2HB GLU 19 2HB GLU 19 -0.248 -1.973 -8.052 144 1HG GLU 19 1HG GLU 19 0.115 -3.532 -10.245 145 2HG GLU 19 2HG GLU 19 -0.054 -1.934 -10.969 146 H TYR 20 H TYR 20 -1.536 -2.839 -6.301 147 HA TYR 20 HA TYR 20 0.020 -5.091 -5.709 148 1HB TYR 20 1HB TYR 20 -0.094 -3.256 -4.159 149 2HB TYR 20 2HB TYR 20 -1.833 -3.437 -3.982 150 HD1 TYR 20 HD1 TYR 20 1.417 -4.534 -2.848 151 HD2 TYR 20 HD2 TYR 20 -2.742 -5.415 -2.764 152 HE1 TYR 20 HE1 TYR 20 1.775 -6.002 -0.908 153 HE2 TYR 20 HE2 TYR 20 -2.398 -6.888 -0.825 154 HH TYR 20 HH TYR 20 0.523 -8.055 0.101 155 H GLN 21 H GLN 21 -3.468 -4.561 -5.486 156 HA GLN 21 HA GLN 21 -4.179 -7.041 -4.405 157 1HB GLN 21 1HB GLN 21 -5.747 -5.186 -4.489 158 2HB GLN 21 2HB GLN 21 -5.734 -5.216 -6.248 159 1HG GLN 21 1HG GLN 21 -7.196 -6.905 -6.359 160 2HG GLN 21 2HG GLN 21 -6.478 -7.755 -4.992 161 1HE2 GLN 21 1HE2 GLN 21 -7.742 -4.467 -5.107 162 2HE2 GLN 21 2HE2 GLN 21 -8.999 -4.716 -3.947 163 H ARG 22 H ARG 22 -4.271 -6.004 -7.817 164 HA ARG 22 HA ARG 22 -4.967 -8.450 -8.931 165 1HB ARG 22 1HB ARG 22 -5.005 -6.425 -10.248 166 2HB ARG 22 2HB ARG 22 -3.267 -6.224 -10.067 167 1HG ARG 22 1HG ARG 22 -2.809 -8.067 -11.469 168 2HG ARG 22 2HG ARG 22 -4.490 -8.603 -11.432 169 1HD ARG 22 1HD ARG 22 -4.974 -6.264 -12.468 170 2HD ARG 22 2HD ARG 22 -3.266 -6.307 -12.902 171 HE ARG 22 HE ARG 22 -3.780 -7.798 -14.546 172 1HH1 ARG 22 1HH1 ARG 22 -6.347 -7.816 -12.194 173 2HH1 ARG 22 2HH1 ARG 22 -7.355 -8.884 -13.111 174 1HH2 ARG 22 1HH2 ARG 22 -5.099 -9.206 -15.763 175 2HH2 ARG 22 2HH2 ARG 22 -6.646 -9.675 -15.140 176 H ARG 23 H ARG 23 -1.705 -7.094 -8.460 177 HA ARG 23 HA ARG 23 -0.298 -9.309 -9.449 178 1HB ARG 23 1HB ARG 23 0.338 -6.895 -7.894 179 2HB ARG 23 2HB ARG 23 1.415 -8.253 -7.593 180 1HG ARG 23 1HG ARG 23 2.370 -6.940 -9.325 181 2HG ARG 23 2HG ARG 23 1.764 -8.425 -10.058 182 1HD ARG 23 1HD ARG 23 -0.042 -7.342 -11.054 183 2HD ARG 23 2HD ARG 23 0.075 -5.953 -9.973 184 HE ARG 23 HE ARG 23 1.554 -5.011 -11.431 185 1HH1 ARG 23 1HH1 ARG 23 1.413 -8.436 -12.047 186 2HH1 ARG 23 2HH1 ARG 23 2.422 -8.357 -13.453 187 1HH2 ARG 23 1HH2 ARG 23 2.884 -4.894 -13.280 188 2HH2 ARG 23 2HH2 ARG 23 3.258 -6.342 -14.155 189 H VAL 24 H VAL 24 -0.556 -8.356 -6.021 190 HA VAL 24 HA VAL 24 0.394 -10.667 -4.883 191 HB VAL 24 HB VAL 24 -1.834 -8.947 -3.785 192 1HG1 VAL 24 1HG1 VAL 24 0.011 -10.939 -2.487 193 2HG1 VAL 24 2HG1 VAL 24 -1.752 -10.962 -2.532 194 3HG1 VAL 24 3HG1 VAL 24 -0.909 -9.737 -1.583 195 1HG2 VAL 24 1HG2 VAL 24 0.679 -8.432 -2.571 196 2HG2 VAL 24 2HG2 VAL 24 -0.329 -7.339 -3.519 197 3HG2 VAL 24 3HG2 VAL 24 0.886 -8.336 -4.319 198 H ALA 25 H ALA 25 -2.739 -10.083 -6.293 199 HA ALA 25 HA ALA 25 -4.153 -12.235 -5.161 200 1HB ALA 25 1HB ALA 25 -5.494 -10.666 -6.214 201 2HB ALA 25 2HB ALA 25 -5.521 -12.020 -7.342 202 3HB ALA 25 3HB ALA 25 -4.487 -10.628 -7.662 203 H ASP 26 H ASP 26 -2.377 -11.988 -8.236 204 HA ASP 26 HA ASP 26 -2.774 -14.748 -8.886 205 1HB ASP 26 1HB ASP 26 -2.430 -12.924 -10.576 206 2HB ASP 26 2HB ASP 26 -0.748 -12.833 -10.060 207 H GLY 27 H GLY 27 -0.350 -12.909 -7.190 208 1HA GLY 27 1HA GLY 27 0.933 -14.233 -5.541 209 2HA GLY 27 2HA GLY 27 1.196 -15.402 -6.826 210 H GLU 28 H GLU 28 1.333 -11.997 -7.514 211 HA GLU 28 HA GLU 28 4.091 -12.263 -8.313 212 1HB GLU 28 1HB GLU 28 2.281 -9.843 -8.408 213 2HB GLU 28 2HB GLU 28 3.833 -10.010 -9.216 214 1HG GLU 28 1HG GLU 28 2.509 -12.171 -10.177 215 2HG GLU 28 2HG GLU 28 1.192 -11.016 -9.977 216 H ASP 29 H ASP 29 5.808 -10.958 -7.567 217 HA ASP 29 HA ASP 29 5.985 -10.646 -4.797 218 1HB ASP 29 1HB ASP 29 7.688 -10.269 -7.071 219 2HB ASP 29 2HB ASP 29 7.848 -8.878 -6.002 220 HA PRO 30 HA PRO 30 3.448 -6.889 -4.590 221 1HB PRO 30 1HB PRO 30 4.234 -7.060 -1.745 222 2HB PRO 30 2HB PRO 30 2.626 -6.947 -2.466 223 1HG PRO 30 1HG PRO 30 3.502 -9.241 -1.402 224 2HG PRO 30 2HG PRO 30 2.483 -9.221 -2.855 225 1HD PRO 30 1HD PRO 30 5.433 -9.647 -2.613 226 2HD PRO 30 2HD PRO 30 4.263 -10.437 -3.689 227 H LYS 31 H LYS 31 6.513 -7.309 -2.821 228 HA LYS 31 HA LYS 31 7.171 -4.691 -2.319 229 1HB LYS 31 1HB LYS 31 8.557 -7.192 -2.442 230 2HB LYS 31 2HB LYS 31 9.547 -5.952 -3.194 231 1HG LYS 31 1HG LYS 31 8.290 -5.357 -0.564 232 2HG LYS 31 2HG LYS 31 9.685 -6.438 -0.615 233 1HD LYS 31 1HD LYS 31 10.921 -4.575 -0.540 234 2HD LYS 31 2HD LYS 31 10.474 -4.370 -2.235 235 1HE LYS 31 1HE LYS 31 9.913 -2.320 -1.321 236 2HE LYS 31 2HE LYS 31 8.378 -3.185 -1.288 237 1HZ LYS 31 1HZ LYS 31 9.264 -1.917 0.806 238 2HZ LYS 31 2HZ LYS 31 10.114 -3.356 1.065 239 3HZ LYS 31 3HZ LYS 31 8.425 -3.377 0.967 240 H ASP 32 H ASP 32 7.539 -6.499 -5.329 241 HA ASP 32 HA ASP 32 8.840 -4.444 -6.794 242 1HB ASP 32 1HB ASP 32 8.100 -7.070 -7.305 243 2HB ASP 32 2HB ASP 32 7.048 -6.136 -8.368 244 H VAL 33 H VAL 33 5.470 -5.389 -6.314 245 HA VAL 33 HA VAL 33 4.244 -3.548 -8.009 246 HB VAL 33 HB VAL 33 3.201 -4.513 -5.340 247 1HG1 VAL 33 1HG1 VAL 33 1.221 -3.561 -5.809 248 2HG1 VAL 33 2HG1 VAL 33 1.335 -3.932 -7.530 249 3HG1 VAL 33 3HG1 VAL 33 2.170 -2.523 -6.873 250 1HG2 VAL 33 1HG2 VAL 33 3.232 -5.748 -8.059 251 2HG2 VAL 33 2HG2 VAL 33 1.913 -6.097 -6.940 252 3HG2 VAL 33 3HG2 VAL 33 3.576 -6.479 -6.491 253 H LEU 34 H LEU 34 5.276 -3.236 -4.627 254 HA LEU 34 HA LEU 34 4.285 -0.738 -4.015 255 1HB LEU 34 1HB LEU 34 6.780 -2.176 -3.206 256 2HB LEU 34 2HB LEU 34 6.522 -0.525 -2.687 257 HG LEU 34 HG LEU 34 5.839 -2.369 -1.068 258 1HD1 LEU 34 1HD1 LEU 34 3.419 -0.779 -1.444 259 2HD1 LEU 34 2HD1 LEU 34 4.908 0.166 -1.470 260 3HD1 LEU 34 3HD1 LEU 34 4.533 -0.850 -0.078 261 1HD2 LEU 34 1HD2 LEU 34 3.438 -3.116 -1.495 262 2HD2 LEU 34 2HD2 LEU 34 4.716 -3.928 -2.396 263 3HD2 LEU 34 3HD2 LEU 34 3.734 -2.689 -3.179 264 H ASP 35 H ASP 35 7.228 -1.565 -5.786 265 HA ASP 35 HA ASP 35 8.210 1.042 -6.109 266 1HB ASP 35 1HB ASP 35 9.181 -1.372 -6.756 267 2HB ASP 35 2HB ASP 35 8.566 -0.902 -8.339 268 H ASP 36 H ASP 36 5.712 -0.763 -7.716 269 HA ASP 36 HA ASP 36 5.378 1.192 -9.834 270 1HB ASP 36 1HB ASP 36 4.134 -1.441 -9.134 271 2HB ASP 36 2HB ASP 36 3.254 -0.347 -10.195 272 H LEU 37 H LEU 37 3.709 0.150 -6.902 273 HA LEU 37 HA LEU 37 1.359 1.567 -7.050 274 1HB LEU 37 1HB LEU 37 3.146 0.803 -4.774 275 2HB LEU 37 2HB LEU 37 1.746 1.809 -4.466 276 HG LEU 37 HG LEU 37 1.154 -0.611 -6.020 277 1HD1 LEU 37 1HD1 LEU 37 2.467 -0.745 -3.350 278 2HD1 LEU 37 2HD1 LEU 37 2.605 -1.833 -4.731 279 3HD1 LEU 37 3HD1 LEU 37 1.163 -1.869 -3.719 280 1HD2 LEU 37 1HD2 LEU 37 -0.221 1.245 -4.496 281 2HD2 LEU 37 2HD2 LEU 37 -0.214 -0.208 -3.497 282 3HD2 LEU 37 3HD2 LEU 37 -0.859 -0.269 -5.137 283 H GLY 38 H GLY 38 4.554 2.703 -6.083 284 1HA GLY 38 1HA GLY 38 5.427 4.823 -6.012 285 2HA GLY 38 2HA GLY 38 3.984 5.385 -6.841 286 H LEU 39 H LEU 39 4.771 4.018 -3.644 287 HA LEU 39 HA LEU 39 2.977 6.000 -2.441 288 1HB LEU 39 1HB LEU 39 4.201 3.723 -0.934 289 2HB LEU 39 2HB LEU 39 2.687 4.554 -0.643 290 HG LEU 39 HG LEU 39 2.038 3.493 -2.969 291 1HD1 LEU 39 1HD1 LEU 39 3.084 1.060 -2.736 292 2HD1 LEU 39 2HD1 LEU 39 4.441 1.993 -2.106 293 3HD1 LEU 39 3HD1 LEU 39 3.825 2.317 -3.727 294 1HD2 LEU 39 1HD2 LEU 39 1.239 3.086 -0.486 295 2HD2 LEU 39 2HD2 LEU 39 2.054 1.541 -0.736 296 3HD2 LEU 39 3HD2 LEU 39 0.741 2.028 -1.806 297 H LYS 40 H LYS 40 6.297 5.085 -2.685 298 HA LYS 40 HA LYS 40 8.209 6.085 -1.968 299 1HB LYS 40 1HB LYS 40 6.497 8.315 -0.881 300 2HB LYS 40 2HB LYS 40 8.182 8.393 -1.373 301 1HG LYS 40 1HG LYS 40 6.089 7.662 -3.370 302 2HG LYS 40 2HG LYS 40 6.332 9.352 -2.918 303 1HD LYS 40 1HD LYS 40 8.808 8.939 -3.414 304 2HD LYS 40 2HD LYS 40 8.271 7.461 -4.216 305 1HE LYS 40 1HE LYS 40 7.203 8.598 -5.900 306 2HE LYS 40 2HE LYS 40 6.943 10.035 -4.910 307 1HZ LYS 40 1HZ LYS 40 9.038 10.814 -5.326 308 2HZ LYS 40 2HZ LYS 40 8.718 10.034 -6.793 309 3HZ LYS 40 3HZ LYS 40 9.688 9.281 -5.629 310 H ARG 41 H ARG 41 9.499 6.088 -0.151 311 HA ARG 41 HA ARG 41 10.137 5.587 1.972 312 1HB ARG 41 1HB ARG 41 7.462 6.850 2.586 313 2HB ARG 41 2HB ARG 41 8.615 6.366 3.825 314 1HG ARG 41 1HG ARG 41 9.882 8.007 1.821 315 2HG ARG 41 2HG ARG 41 8.475 8.815 2.514 316 1HD ARG 41 1HD ARG 41 9.788 9.390 4.217 317 2HD ARG 41 2HD ARG 41 9.741 7.696 4.702 318 HE ARG 41 HE ARG 41 11.917 7.482 4.035 319 1HH1 ARG 41 1HH1 ARG 41 10.592 10.396 2.663 320 2HH1 ARG 41 2HH1 ARG 41 12.111 10.950 2.045 321 1HH2 ARG 41 1HH2 ARG 41 13.924 8.202 3.225 322 2HH2 ARG 41 2HH2 ARG 41 14.006 9.703 2.364 323 H TYR 42 H TYR 42 10.132 3.817 3.279 324 HA TYR 42 HA TYR 42 8.271 1.722 2.607 325 1HB TYR 42 1HB TYR 42 9.688 0.274 3.891 326 2HB TYR 42 2HB TYR 42 10.739 1.356 2.982 327 HD1 TYR 42 HD1 TYR 42 12.214 2.857 4.091 328 HD2 TYR 42 HD2 TYR 42 9.350 0.649 6.332 329 HE1 TYR 42 HE1 TYR 42 13.338 3.525 6.174 330 HE2 TYR 42 HE2 TYR 42 10.466 1.311 8.421 331 HH TYR 42 HH TYR 42 13.039 3.673 8.462 332 H CYS 43 H CYS 43 8.514 4.118 5.046 333 HA CYS 43 HA CYS 43 7.404 2.995 7.281 334 1HB CYS 43 1HB CYS 43 6.391 5.233 7.724 335 2HB CYS 43 2HB CYS 43 8.088 5.307 7.258 336 H CYS 44 H CYS 44 5.853 3.750 4.250 337 HA CYS 44 HA CYS 44 3.203 3.092 5.262 338 1HB CYS 44 1HB CYS 44 3.816 3.489 2.354 339 2HB CYS 44 2HB CYS 44 2.345 3.889 3.246 340 H ARG 45 H ARG 45 5.332 1.926 2.651 341 HA ARG 45 HA ARG 45 4.013 -0.290 1.832 342 1HB ARG 45 1HB ARG 45 6.981 -0.370 2.335 343 2HB ARG 45 2HB ARG 45 6.076 -1.184 1.069 344 1HG ARG 45 1HG ARG 45 5.491 1.128 0.205 345 2HG ARG 45 2HG ARG 45 6.739 1.730 1.298 346 1HD ARG 45 1HD ARG 45 7.672 -0.523 -0.263 347 2HD ARG 45 2HD ARG 45 7.101 0.791 -1.292 348 HE ARG 45 HE ARG 45 8.731 1.916 0.658 349 1HH1 ARG 45 1HH1 ARG 45 9.011 -0.318 -1.999 350 2HH1 ARG 45 2HH1 ARG 45 10.665 0.078 -2.328 351 1HH2 ARG 45 1HH2 ARG 45 10.909 2.446 0.234 352 2HH2 ARG 45 2HH2 ARG 45 11.744 1.650 -1.058 353 H ARG 46 H ARG 46 6.388 -0.315 4.502 354 HA ARG 46 HA ARG 46 6.370 -2.882 5.299 355 1HB ARG 46 1HB ARG 46 6.807 -2.161 7.558 356 2HB ARG 46 2HB ARG 46 7.585 -1.046 6.443 357 1HG ARG 46 1HG ARG 46 5.596 0.462 6.732 358 2HG ARG 46 2HG ARG 46 5.068 -0.612 8.028 359 1HD ARG 46 1HD ARG 46 7.245 -0.235 9.156 360 2HD ARG 46 2HD ARG 46 7.645 0.945 7.909 361 HE ARG 46 HE ARG 46 5.307 1.878 8.829 362 1HH1 ARG 46 1HH1 ARG 46 8.195 0.828 10.473 363 2HH1 ARG 46 2HH1 ARG 46 7.972 1.896 11.817 364 1HH2 ARG 46 1HH2 ARG 46 5.008 3.288 10.595 365 2HH2 ARG 46 2HH2 ARG 46 6.161 3.294 11.887 366 H MET 47 H MET 47 3.826 -0.549 6.083 367 HA MET 47 HA MET 47 2.281 -2.497 7.531 368 1HB MET 47 1HB MET 47 1.551 0.268 6.558 369 2HB MET 47 2HB MET 47 0.585 -0.706 7.653 370 1HG MET 47 1HG MET 47 2.509 -0.679 9.244 371 2HG MET 47 2HG MET 47 3.301 0.473 8.170 372 1HE MET 47 1HE MET 47 1.298 2.129 7.036 373 2HE MET 47 2HE MET 47 0.510 3.279 8.112 374 3HE MET 47 3HE MET 47 -0.284 1.755 7.720 375 H LEU 48 H LEU 48 2.396 -1.176 4.311 376 HA LEU 48 HA LEU 48 -0.148 -2.213 3.507 377 1HB LEU 48 1HB LEU 48 2.103 -1.248 1.750 378 2HB LEU 48 2HB LEU 48 0.414 -1.401 1.308 379 HG LEU 48 HG LEU 48 1.200 0.415 3.547 380 1HD1 LEU 48 1HD1 LEU 48 0.934 1.814 1.047 381 2HD1 LEU 48 2HD1 LEU 48 2.276 0.670 0.990 382 3HD1 LEU 48 3HD1 LEU 48 2.219 1.901 2.251 383 1HD2 LEU 48 1HD2 LEU 48 -0.767 1.676 2.447 384 2HD2 LEU 48 2HD2 LEU 48 -1.103 0.230 3.398 385 3HD2 LEU 48 3HD2 LEU 48 -1.083 0.143 1.636 386 H ILE 49 H ILE 49 3.108 -2.912 2.203 387 HA ILE 49 HA ILE 49 2.584 -5.028 0.631 388 HB ILE 49 HB ILE 49 4.837 -6.037 1.498 389 1HG1 ILE 49 1HG1 ILE 49 5.510 -3.307 2.369 390 2HG1 ILE 49 2HG1 ILE 49 4.484 -4.205 3.487 391 1HG2 ILE 49 1HG2 ILE 49 4.626 -3.359 0.136 392 2HG2 ILE 49 2HG2 ILE 49 4.568 -4.944 -0.636 393 3HG2 ILE 49 3HG2 ILE 49 6.056 -4.391 0.132 394 1HD1 ILE 49 1HD1 ILE 49 6.110 -5.701 3.996 395 2HD1 ILE 49 2HD1 ILE 49 7.113 -4.301 3.615 396 3HD1 ILE 49 3HD1 ILE 49 6.881 -5.572 2.415 397 H SER 50 H SER 50 2.516 -5.116 4.121 398 HA SER 50 HA SER 50 2.385 -7.998 4.224 399 1HB SER 50 1HB SER 50 2.887 -5.884 6.074 400 2HB SER 50 2HB SER 50 1.523 -6.824 6.682 401 HG SER 50 HG SER 50 3.750 -7.542 7.238 402 H HIS 51 H HIS 51 0.188 -5.730 5.815 403 HA HIS 51 HA HIS 51 -2.020 -7.542 5.332 404 1HB HIS 51 1HB HIS 51 -1.808 -4.985 6.926 405 2HB HIS 51 2HB HIS 51 -3.249 -5.996 6.859 406 HD2 HIS 51 HD2 HIS 51 0.211 -5.839 8.545 407 HE1 HIS 51 HE1 HIS 51 -1.816 -9.279 9.956 408 HE2 HIS 51 HE2 HIS 51 0.216 -7.792 10.260 409 H VAL 52 H VAL 52 -1.819 -3.999 5.157 410 HA VAL 52 HA VAL 52 -3.016 -2.492 3.933 411 HB VAL 52 HB VAL 52 -1.250 -3.224 2.332 412 1HG1 VAL 52 1HG1 VAL 52 -1.817 -5.479 1.921 413 2HG1 VAL 52 2HG1 VAL 52 -2.036 -4.615 0.398 414 3HG1 VAL 52 3HG1 VAL 52 -3.438 -5.046 1.379 415 1HG2 VAL 52 1HG2 VAL 52 -2.111 -1.993 0.556 416 2HG2 VAL 52 2HG2 VAL 52 -3.031 -1.414 1.948 417 3HG2 VAL 52 3HG2 VAL 52 -3.756 -2.571 0.829 418 H GLU 53 H GLU 53 -4.556 -4.678 5.117 419 HA GLU 53 HA GLU 53 -6.675 -5.489 5.147 420 1HB GLU 53 1HB GLU 53 -6.899 -3.030 3.484 421 2HB GLU 53 2HB GLU 53 -8.273 -4.125 3.510 422 1HG GLU 53 1HG GLU 53 -8.710 -3.753 5.727 423 2HG GLU 53 2HG GLU 53 -7.050 -3.282 6.088 424 H THR 54 H THR 54 -7.010 -4.498 1.781 425 HA THR 54 HA THR 54 -7.645 -5.732 -0.043 426 HB THR 54 HB THR 54 -5.949 -7.708 -0.419 427 HG1 THR 54 HG1 THR 54 -5.226 -7.585 1.827 428 1HG2 THR 54 1HG2 THR 54 -5.297 -4.771 -0.416 429 2HG2 THR 54 2HG2 THR 54 -5.825 -5.771 -1.769 430 3HG2 THR 54 3HG2 THR 54 -4.212 -5.987 -1.091 431 H TRP 55 H TRP 55 -9.306 -6.411 2.013 432 HA TRP 55 HA TRP 55 -9.466 -9.018 2.863 433 1HB TRP 55 1HB TRP 55 -11.258 -6.782 2.650 434 2HB TRP 55 2HB TRP 55 -12.111 -8.257 2.206 435 HD1 TRP 55 HD1 TRP 55 -9.376 -8.302 4.884 436 HE1 TRP 55 HE1 TRP 55 -10.457 -8.859 7.152 437 HE3 TRP 55 HE3 TRP 55 -14.295 -8.126 3.503 438 HZ2 TRP 55 HZ2 TRP 55 -13.052 -9.183 8.215 439 HZ3 TRP 55 HZ3 TRP 55 -16.014 -8.572 5.205 440 HH2 TRP 55 HH2 TRP 55 -15.405 -9.089 7.513 Start of MODEL 14 1 H MET 1 H MET 1 -7.452 6.495 0.237 2 HA MET 1 HA MET 1 -6.110 4.445 1.627 3 1HB MET 1 1HB MET 1 -4.311 6.028 1.903 4 2HB MET 1 2HB MET 1 -4.994 6.226 0.295 5 1HG MET 1 1HG MET 1 -5.848 8.285 0.755 6 2HG MET 1 2HG MET 1 -6.043 7.945 2.474 7 1HE MET 1 1HE MET 1 -2.267 7.397 3.183 8 2HE MET 1 2HE MET 1 -3.926 6.968 3.598 9 3HE MET 1 3HE MET 1 -3.209 8.442 4.247 10 H ILE 2 H ILE 2 -5.561 4.198 3.774 11 HA ILE 2 HA ILE 2 -7.469 5.048 5.686 12 HB ILE 2 HB ILE 2 -4.806 3.663 5.943 13 1HG1 ILE 2 1HG1 ILE 2 -6.175 1.724 6.511 14 2HG1 ILE 2 2HG1 ILE 2 -7.634 2.707 6.432 15 1HG2 ILE 2 1HG2 ILE 2 -5.216 3.277 8.282 16 2HG2 ILE 2 2HG2 ILE 2 -6.739 4.163 8.202 17 3HG2 ILE 2 3HG2 ILE 2 -5.210 5.013 7.979 18 1HD1 ILE 2 1HD1 ILE 2 -5.817 2.287 4.080 19 2HD1 ILE 2 2HD1 ILE 2 -7.451 2.949 4.090 20 3HD1 ILE 2 3HD1 ILE 2 -7.190 1.243 4.448 21 HA PRO 3 HA PRO 3 -5.620 8.987 6.730 22 1HB PRO 3 1HB PRO 3 -7.136 9.629 8.812 23 2HB PRO 3 2HB PRO 3 -7.869 9.487 7.205 24 1HG PRO 3 1HG PRO 3 -7.768 7.447 9.421 25 2HG PRO 3 2HG PRO 3 -9.185 8.009 8.501 26 1HD PRO 3 1HD PRO 3 -7.851 5.730 7.867 27 2HD PRO 3 2HD PRO 3 -8.624 6.750 6.636 28 H VAL 4 H VAL 4 -4.805 10.046 8.877 29 HA VAL 4 HA VAL 4 -3.416 9.975 10.685 30 HB VAL 4 HB VAL 4 -5.147 7.578 11.010 31 1HG1 VAL 4 1HG1 VAL 4 -2.535 7.869 12.447 32 2HG1 VAL 4 2HG1 VAL 4 -3.309 6.416 11.807 33 3HG1 VAL 4 3HG1 VAL 4 -3.931 7.178 13.274 34 1HG2 VAL 4 1HG2 VAL 4 -6.081 9.499 11.873 35 2HG2 VAL 4 2HG2 VAL 4 -4.544 10.092 12.504 36 3HG2 VAL 4 3HG2 VAL 4 -5.369 8.754 13.303 37 H ARG 5 H ARG 5 -3.377 6.537 9.881 38 HA ARG 5 HA ARG 5 -0.652 6.151 10.154 39 1HB ARG 5 1HB ARG 5 -2.909 4.643 9.438 40 2HB ARG 5 2HB ARG 5 -1.750 4.408 8.131 41 1HG ARG 5 1HG ARG 5 -1.260 2.690 9.610 42 2HG ARG 5 2HG ARG 5 -0.063 3.921 10.022 43 1HD ARG 5 1HD ARG 5 -0.915 3.144 12.079 44 2HD ARG 5 2HD ARG 5 -1.688 4.703 11.801 45 HE ARG 5 HE ARG 5 -3.210 2.442 10.868 46 1HH1 ARG 5 1HH1 ARG 5 -2.524 4.545 13.557 47 2HH1 ARG 5 2HH1 ARG 5 -4.036 4.242 14.346 48 1HH2 ARG 5 1HH2 ARG 5 -5.203 2.035 11.899 49 2HH2 ARG 5 2HH2 ARG 5 -5.559 2.814 13.404 50 H CYS 6 H CYS 6 0.676 5.198 8.220 51 HA CYS 6 HA CYS 6 0.767 7.294 6.169 52 1HB CYS 6 1HB CYS 6 2.770 6.024 7.768 53 2HB CYS 6 2HB CYS 6 3.091 5.657 6.076 54 H LEU 7 H LEU 7 -0.401 6.683 4.479 55 HA LEU 7 HA LEU 7 0.290 4.153 3.181 56 1HB LEU 7 1HB LEU 7 -2.494 5.272 3.464 57 2HB LEU 7 2HB LEU 7 -2.071 3.864 2.516 58 HG LEU 7 HG LEU 7 -2.943 2.885 4.397 59 1HD1 LEU 7 1HD1 LEU 7 -1.265 1.646 5.160 60 2HD1 LEU 7 2HD1 LEU 7 -0.437 3.034 5.859 61 3HD1 LEU 7 3HD1 LEU 7 -0.220 2.641 4.155 62 1HD2 LEU 7 1HD2 LEU 7 -3.325 5.034 5.538 63 2HD2 LEU 7 2HD2 LEU 7 -1.660 4.995 6.120 64 3HD2 LEU 7 3HD2 LEU 7 -2.804 3.754 6.634 65 H SER 8 H SER 8 1.398 6.597 2.643 66 HA SER 8 HA SER 8 1.008 6.881 -0.113 67 1HB SER 8 1HB SER 8 -0.612 8.676 1.620 68 2HB SER 8 2HB SER 8 0.187 9.416 0.233 69 HG SER 8 HG SER 8 -1.792 7.425 0.297 70 H CYS 9 H CYS 9 1.548 9.309 2.442 71 HA CYS 9 HA CYS 9 3.401 10.474 3.066 72 1HB CYS 9 1HB CYS 9 4.426 7.988 2.201 73 2HB CYS 9 2HB CYS 9 5.457 9.225 1.490 74 H GLY 10 H GLY 10 1.862 10.927 0.513 75 1HA GLY 10 1HA GLY 10 2.396 13.202 -0.473 76 2HA GLY 10 2HA GLY 10 3.917 12.461 -0.949 77 H LYS 11 H LYS 11 2.393 9.892 -1.464 78 HA LYS 11 HA LYS 11 1.135 10.705 -3.995 79 1HB LYS 11 1HB LYS 11 3.496 9.167 -3.625 80 2HB LYS 11 2HB LYS 11 2.252 8.092 -4.255 81 1HG LYS 11 1HG LYS 11 3.593 9.116 -6.031 82 2HG LYS 11 2HG LYS 11 1.894 9.582 -6.133 83 1HD LYS 11 1HD LYS 11 2.352 11.701 -5.130 84 2HD LYS 11 2HD LYS 11 4.026 11.243 -4.825 85 1HE LYS 11 1HE LYS 11 4.221 10.944 -7.352 86 2HE LYS 11 2HE LYS 11 2.685 11.803 -7.454 87 1HZ LYS 11 1HZ LYS 11 3.622 13.755 -6.791 88 2HZ LYS 11 2HZ LYS 11 4.956 13.072 -7.576 89 3HZ LYS 11 3HZ LYS 11 4.846 13.012 -5.889 90 HA PRO 12 HA PRO 12 -2.343 8.339 -2.649 91 1HB PRO 12 1HB PRO 12 -3.438 7.758 -5.079 92 2HB PRO 12 2HB PRO 12 -3.576 9.337 -4.299 93 1HG PRO 12 1HG PRO 12 -1.693 8.442 -6.449 94 2HG PRO 12 2HG PRO 12 -2.587 9.967 -6.309 95 1HD PRO 12 1HD PRO 12 0.027 9.773 -5.667 96 2HD PRO 12 2HD PRO 12 -1.079 10.858 -4.800 97 H VAL 13 H VAL 13 -2.580 6.269 -2.078 98 HA VAL 13 HA VAL 13 -1.106 4.242 -3.616 99 HB VAL 13 HB VAL 13 -0.881 2.940 -1.639 100 1HG1 VAL 13 1HG1 VAL 13 0.766 4.634 -1.718 101 2HG1 VAL 13 2HG1 VAL 13 0.187 4.601 -0.051 102 3HG1 VAL 13 3HG1 VAL 13 -0.365 5.865 -1.152 103 1HG2 VAL 13 1HG2 VAL 13 -3.142 3.303 -0.732 104 2HG2 VAL 13 2HG2 VAL 13 -2.668 4.922 -0.226 105 3HG2 VAL 13 3HG2 VAL 13 -1.894 3.512 0.497 106 H SER 14 H SER 14 -4.216 5.141 -2.355 107 HA SER 14 HA SER 14 -5.587 2.727 -2.486 108 1HB SER 14 1HB SER 14 -6.784 5.396 -3.251 109 2HB SER 14 2HB SER 14 -7.599 4.013 -2.515 110 HG SER 14 HG SER 14 -6.383 4.371 -0.635 111 H ALA 15 H ALA 15 -4.975 5.108 -5.037 112 HA ALA 15 HA ALA 15 -6.524 3.836 -7.031 113 1HB ALA 15 1HB ALA 15 -4.862 6.141 -6.832 114 2HB ALA 15 2HB ALA 15 -6.074 5.751 -8.053 115 3HB ALA 15 3HB ALA 15 -4.403 5.231 -8.272 116 H TYR 16 H TYR 16 -3.203 3.449 -5.965 117 HA TYR 16 HA TYR 16 -2.549 1.660 -8.144 118 1HB TYR 16 1HB TYR 16 -1.094 2.925 -5.880 119 2HB TYR 16 2HB TYR 16 -0.442 1.426 -6.527 120 HD1 TYR 16 HD1 TYR 16 -0.807 4.971 -7.030 121 HD2 TYR 16 HD2 TYR 16 0.168 1.310 -8.968 122 HE1 TYR 16 HE1 TYR 16 0.263 6.227 -8.852 123 HE2 TYR 16 HE2 TYR 16 1.241 2.558 -10.795 124 HH TYR 16 HH TYR 16 0.747 5.635 -11.460 125 H PHE 17 H PHE 17 -3.713 1.472 -4.900 126 HA PHE 17 HA PHE 17 -2.901 -0.946 -3.949 127 1HB PHE 17 1HB PHE 17 -5.455 0.567 -3.754 128 2HB PHE 17 2HB PHE 17 -5.474 -1.107 -3.214 129 HD1 PHE 17 HD1 PHE 17 -2.321 0.597 -2.817 130 HD2 PHE 17 HD2 PHE 17 -6.099 -0.141 -0.996 131 HE1 PHE 17 HE1 PHE 17 -1.405 1.290 -0.640 132 HE2 PHE 17 HE2 PHE 17 -5.187 0.551 1.181 133 HZ PHE 17 HZ PHE 17 -2.840 1.267 1.360 134 H ASN 18 H ASN 18 -5.035 -0.359 -6.638 135 HA ASN 18 HA ASN 18 -6.173 -2.917 -6.900 136 1HB ASN 18 1HB ASN 18 -6.067 -0.488 -8.430 137 2HB ASN 18 2HB ASN 18 -5.753 -1.856 -9.495 138 1HD2 ASN 18 1HD2 ASN 18 -8.103 0.068 -8.397 139 2HD2 ASN 18 2HD2 ASN 18 -9.463 -1.001 -8.514 140 H GLU 19 H GLU 19 -3.149 -1.532 -8.081 141 HA GLU 19 HA GLU 19 -2.317 -3.672 -9.687 142 1HB GLU 19 1HB GLU 19 -1.306 -1.233 -9.171 143 2HB GLU 19 2HB GLU 19 -0.260 -2.191 -8.134 144 1HG GLU 19 1HG GLU 19 0.944 -2.137 -10.077 145 2HG GLU 19 2HG GLU 19 0.060 -3.651 -10.260 146 H TYR 20 H TYR 20 -1.588 -2.934 -6.291 147 HA TYR 20 HA TYR 20 -0.051 -5.179 -5.695 148 1HB TYR 20 1HB TYR 20 -0.180 -3.395 -4.113 149 2HB TYR 20 2HB TYR 20 -1.926 -3.538 -3.989 150 HD1 TYR 20 HD1 TYR 20 1.259 -4.703 -2.763 151 HD2 TYR 20 HD2 TYR 20 -2.913 -5.521 -2.825 152 HE1 TYR 20 HE1 TYR 20 1.530 -6.197 -0.827 153 HE2 TYR 20 HE2 TYR 20 -2.656 -7.017 -0.891 154 HH TYR 20 HH TYR 20 -0.544 -8.442 0.066 155 H GLN 21 H GLN 21 -3.554 -4.708 -5.442 156 HA GLN 21 HA GLN 21 -4.196 -7.264 -4.476 157 1HB GLN 21 1HB GLN 21 -5.834 -5.507 -4.378 158 2HB GLN 21 2HB GLN 21 -5.798 -5.303 -6.123 159 1HG GLN 21 1HG GLN 21 -7.123 -7.103 -6.506 160 2HG GLN 21 2HG GLN 21 -6.546 -7.972 -5.085 161 1HE2 GLN 21 1HE2 GLN 21 -7.771 -4.684 -5.171 162 2HE2 GLN 21 2HE2 GLN 21 -9.172 -4.980 -4.204 163 H ARG 22 H ARG 22 -4.268 -6.004 -7.803 164 HA ARG 22 HA ARG 22 -4.980 -8.362 -9.101 165 1HB ARG 22 1HB ARG 22 -4.996 -6.248 -10.265 166 2HB ARG 22 2HB ARG 22 -3.265 -6.054 -10.028 167 1HG ARG 22 1HG ARG 22 -2.890 -8.043 -11.451 168 2HG ARG 22 2HG ARG 22 -4.627 -8.105 -11.759 169 1HD ARG 22 1HD ARG 22 -4.541 -5.866 -12.729 170 2HD ARG 22 2HD ARG 22 -2.808 -5.789 -12.411 171 HE ARG 22 HE ARG 22 -2.443 -7.094 -14.258 172 1HH1 ARG 22 1HH1 ARG 22 -5.815 -7.230 -13.402 173 2HH1 ARG 22 2HH1 ARG 22 -6.279 -8.077 -14.839 174 1HH2 ARG 22 1HH2 ARG 22 -3.044 -8.210 -16.156 175 2HH2 ARG 22 2HH2 ARG 22 -4.705 -8.635 -16.405 176 H ARG 23 H ARG 23 -1.741 -7.051 -8.437 177 HA ARG 23 HA ARG 23 -0.320 -9.215 -9.552 178 1HB ARG 23 1HB ARG 23 0.296 -6.830 -7.976 179 2HB ARG 23 2HB ARG 23 1.350 -8.189 -7.605 180 1HG ARG 23 1HG ARG 23 2.218 -6.682 -9.371 181 2HG ARG 23 2HG ARG 23 2.048 -8.360 -9.883 182 1HD ARG 23 1HD ARG 23 -0.286 -7.584 -10.729 183 2HD ARG 23 2HD ARG 23 0.419 -5.971 -10.643 184 HE ARG 23 HE ARG 23 0.927 -7.944 -12.622 185 1HH1 ARG 23 1HH1 ARG 23 2.428 -5.373 -10.818 186 2HH1 ARG 23 2HH1 ARG 23 3.613 -5.034 -12.035 187 1HH2 ARG 23 1HH2 ARG 23 2.483 -7.509 -14.232 188 2HH2 ARG 23 2HH2 ARG 23 3.644 -6.249 -13.977 189 H VAL 24 H VAL 24 -0.594 -8.391 -6.086 190 HA VAL 24 HA VAL 24 0.372 -10.718 -5.015 191 HB VAL 24 HB VAL 24 -1.927 -9.098 -3.912 192 1HG1 VAL 24 1HG1 VAL 24 -1.910 -10.397 -2.105 193 2HG1 VAL 24 2HG1 VAL 24 -0.154 -10.297 -1.974 194 3HG1 VAL 24 3HG1 VAL 24 -0.893 -11.519 -3.008 195 1HG2 VAL 24 1HG2 VAL 24 -0.464 -7.470 -3.556 196 2HG2 VAL 24 2HG2 VAL 24 0.803 -8.422 -4.331 197 3HG2 VAL 24 3HG2 VAL 24 0.524 -8.569 -2.597 198 H ALA 25 H ALA 25 -2.776 -10.146 -6.420 199 HA ALA 25 HA ALA 25 -4.130 -12.397 -5.432 200 1HB ALA 25 1HB ALA 25 -4.487 -10.634 -7.814 201 2HB ALA 25 2HB ALA 25 -5.536 -10.861 -6.414 202 3HB ALA 25 3HB ALA 25 -5.447 -12.105 -7.660 203 H ASP 26 H ASP 26 -2.224 -11.951 -8.400 204 HA ASP 26 HA ASP 26 -2.587 -14.654 -9.266 205 1HB ASP 26 1HB ASP 26 -1.963 -12.491 -10.634 206 2HB ASP 26 2HB ASP 26 -0.316 -12.955 -10.220 207 H GLY 27 H GLY 27 -0.073 -12.876 -7.544 208 1HA GLY 27 1HA GLY 27 1.021 -14.308 -5.797 209 2HA GLY 27 2HA GLY 27 1.323 -15.441 -7.103 210 H GLU 28 H GLU 28 1.629 -11.978 -7.559 211 HA GLU 28 HA GLU 28 4.454 -12.353 -8.148 212 1HB GLU 28 1HB GLU 28 2.639 -9.958 -8.526 213 2HB GLU 28 2HB GLU 28 4.326 -10.030 -9.010 214 1HG GLU 28 1HG GLU 28 3.829 -11.027 -10.909 215 2HG GLU 28 2HG GLU 28 2.899 -12.269 -10.077 216 H ASP 29 H ASP 29 6.083 -10.950 -7.280 217 HA ASP 29 HA ASP 29 5.975 -10.678 -4.489 218 1HB ASP 29 1HB ASP 29 7.868 -9.898 -6.637 219 2HB ASP 29 2HB ASP 29 8.021 -9.041 -5.106 220 HA PRO 30 HA PRO 30 3.397 -6.947 -4.496 221 1HB PRO 30 1HB PRO 30 4.089 -7.053 -1.616 222 2HB PRO 30 2HB PRO 30 2.510 -6.929 -2.394 223 1HG PRO 30 1HG PRO 30 3.314 -9.216 -1.266 224 2HG PRO 30 2HG PRO 30 2.352 -9.208 -2.756 225 1HD PRO 30 1HD PRO 30 5.277 -9.688 -2.388 226 2HD PRO 30 2HD PRO 30 4.140 -10.450 -3.520 227 H LYS 31 H LYS 31 6.440 -7.329 -2.714 228 HA LYS 31 HA LYS 31 7.084 -4.696 -2.222 229 1HB LYS 31 1HB LYS 31 8.476 -7.217 -2.342 230 2HB LYS 31 2HB LYS 31 9.479 -5.942 -3.016 231 1HG LYS 31 1HG LYS 31 9.894 -5.072 -1.010 232 2HG LYS 31 2HG LYS 31 8.193 -5.141 -0.540 233 1HD LYS 31 1HD LYS 31 9.731 -7.686 -0.648 234 2HD LYS 31 2HD LYS 31 10.034 -6.583 0.696 235 1HE LYS 31 1HE LYS 31 7.347 -6.579 0.697 236 2HE LYS 31 2HE LYS 31 7.643 -8.197 0.061 237 1HZ LYS 31 1HZ LYS 31 9.315 -7.628 2.296 238 2HZ LYS 31 2HZ LYS 31 8.238 -8.911 2.062 239 3HZ LYS 31 3HZ LYS 31 7.681 -7.445 2.696 240 H ASP 32 H ASP 32 7.463 -6.565 -5.188 241 HA ASP 32 HA ASP 32 8.812 -4.563 -6.682 242 1HB ASP 32 1HB ASP 32 7.927 -7.196 -7.134 243 2HB ASP 32 2HB ASP 32 7.088 -6.205 -8.323 244 H VAL 33 H VAL 33 5.421 -5.466 -6.268 245 HA VAL 33 HA VAL 33 4.243 -3.632 -8.004 246 HB VAL 33 HB VAL 33 3.157 -4.542 -5.334 247 1HG1 VAL 33 1HG1 VAL 33 1.376 -3.942 -7.614 248 2HG1 VAL 33 2HG1 VAL 33 2.153 -2.561 -6.837 249 3HG1 VAL 33 3HG1 VAL 33 1.149 -3.657 -5.888 250 1HG2 VAL 33 1HG2 VAL 33 1.876 -6.127 -6.991 251 2HG2 VAL 33 2HG2 VAL 33 3.480 -6.550 -6.389 252 3HG2 VAL 33 3HG2 VAL 33 3.298 -5.858 -7.999 253 H LEU 34 H LEU 34 5.188 -3.310 -4.602 254 HA LEU 34 HA LEU 34 4.243 -0.780 -4.049 255 1HB LEU 34 1HB LEU 34 6.633 -2.315 -3.125 256 2HB LEU 34 2HB LEU 34 6.451 -0.644 -2.643 257 HG LEU 34 HG LEU 34 5.602 -2.401 -1.012 258 1HD1 LEU 34 1HD1 LEU 34 3.324 -0.636 -1.631 259 2HD1 LEU 34 2HD1 LEU 34 4.886 0.151 -1.415 260 3HD1 LEU 34 3HD1 LEU 34 4.220 -0.854 -0.128 261 1HD2 LEU 34 1HD2 LEU 34 3.160 -3.001 -1.546 262 2HD2 LEU 34 2HD2 LEU 34 4.441 -3.950 -2.296 263 3HD2 LEU 34 3HD2 LEU 34 3.606 -2.703 -3.222 264 H ASP 35 H ASP 35 7.193 -1.723 -5.737 265 HA ASP 35 HA ASP 35 8.310 0.835 -6.005 266 1HB ASP 35 1HB ASP 35 9.234 -1.571 -6.615 267 2HB ASP 35 2HB ASP 35 8.595 -1.170 -8.206 268 H ASP 36 H ASP 36 5.765 -0.837 -7.672 269 HA ASP 36 HA ASP 36 5.546 1.159 -9.769 270 1HB ASP 36 1HB ASP 36 4.476 -1.522 -9.250 271 2HB ASP 36 2HB ASP 36 3.289 -0.419 -9.936 272 H LEU 37 H LEU 37 3.791 0.114 -6.887 273 HA LEU 37 HA LEU 37 1.484 1.601 -7.044 274 1HB LEU 37 1HB LEU 37 3.207 0.723 -4.768 275 2HB LEU 37 2HB LEU 37 1.870 1.804 -4.447 276 HG LEU 37 HG LEU 37 1.075 -0.491 -6.061 277 1HD1 LEU 37 1HD1 LEU 37 1.114 -1.968 -3.951 278 2HD1 LEU 37 2HD1 LEU 37 2.417 -0.908 -3.417 279 3HD1 LEU 37 3HD1 LEU 37 2.585 -1.830 -4.911 280 1HD2 LEU 37 1HD2 LEU 37 -0.015 0.068 -3.364 281 2HD2 LEU 37 2HD2 LEU 37 -0.848 -0.295 -4.876 282 3HD2 LEU 37 3HD2 LEU 37 -0.206 1.323 -4.590 283 H GLY 38 H GLY 38 4.558 2.632 -5.564 284 1HA GLY 38 1HA GLY 38 5.500 4.781 -5.996 285 2HA GLY 38 2HA GLY 38 3.884 5.398 -6.297 286 H LEU 39 H LEU 39 5.380 3.622 -3.587 287 HA LEU 39 HA LEU 39 4.556 5.834 -1.827 288 1HB LEU 39 1HB LEU 39 4.690 3.151 -0.620 289 2HB LEU 39 2HB LEU 39 3.542 4.448 -0.353 290 HG LEU 39 HG LEU 39 2.537 3.816 -2.614 291 1HD1 LEU 39 1HD1 LEU 39 4.656 1.824 -2.361 292 2HD1 LEU 39 2HD1 LEU 39 3.779 2.375 -3.786 293 3HD1 LEU 39 3HD1 LEU 39 3.073 1.143 -2.738 294 1HD2 LEU 39 1HD2 LEU 39 1.018 2.460 -1.581 295 2HD2 LEU 39 2HD2 LEU 39 1.810 3.172 -0.175 296 3HD2 LEU 39 3HD2 LEU 39 2.254 1.551 -0.712 297 H LYS 40 H LYS 40 6.761 6.582 -2.199 298 HA LYS 40 HA LYS 40 9.083 5.199 -1.583 299 1HB LYS 40 1HB LYS 40 8.283 8.055 -1.684 300 2HB LYS 40 2HB LYS 40 9.767 7.693 -0.815 301 1HG LYS 40 1HG LYS 40 9.200 6.847 -3.648 302 2HG LYS 40 2HG LYS 40 10.118 8.284 -3.189 303 1HD LYS 40 1HD LYS 40 10.941 5.667 -2.041 304 2HD LYS 40 2HD LYS 40 11.311 5.985 -3.737 305 1HE LYS 40 1HE LYS 40 12.504 8.000 -3.139 306 2HE LYS 40 2HE LYS 40 12.054 7.799 -1.445 307 1HZ LYS 40 1HZ LYS 40 14.332 6.879 -2.610 308 2HZ LYS 40 2HZ LYS 40 13.368 5.492 -2.521 309 3HZ LYS 40 3HZ LYS 40 13.713 6.374 -1.119 310 H ARG 41 H ARG 41 10.483 6.380 0.390 311 HA ARG 41 HA ARG 41 10.904 6.455 2.613 312 1HB ARG 41 1HB ARG 41 7.950 6.846 2.614 313 2HB ARG 41 2HB ARG 41 8.737 6.463 4.135 314 1HG ARG 41 1HG ARG 41 9.929 8.618 2.491 315 2HG ARG 41 2HG ARG 41 8.393 8.951 3.295 316 1HD ARG 41 1HD ARG 41 9.360 9.093 5.300 317 2HD ARG 41 2HD ARG 41 10.290 7.619 5.042 318 HE ARG 41 HE ARG 41 11.329 9.854 3.588 319 1HH1 ARG 41 1HH1 ARG 41 11.278 8.266 6.686 320 2HH1 ARG 41 2HH1 ARG 41 12.809 8.905 7.184 321 1HH2 ARG 41 1HH2 ARG 41 13.347 10.702 4.234 322 2HH2 ARG 41 2HH2 ARG 41 13.986 10.290 5.790 323 H TYR 42 H TYR 42 8.115 4.283 2.093 324 HA TYR 42 HA TYR 42 8.066 1.975 2.299 325 1HB TYR 42 1HB TYR 42 10.667 2.073 2.472 326 2HB TYR 42 2HB TYR 42 10.377 1.943 4.204 327 HD1 TYR 42 HD1 TYR 42 8.822 -0.029 4.952 328 HD2 TYR 42 HD2 TYR 42 10.827 0.143 1.200 329 HE1 TYR 42 HE1 TYR 42 8.608 -2.470 4.729 330 HE2 TYR 42 HE2 TYR 42 10.617 -2.296 0.969 331 HH TYR 42 HH TYR 42 9.201 -4.110 1.815 332 H CYS 43 H CYS 43 8.396 4.308 4.811 333 HA CYS 43 HA CYS 43 7.570 2.923 7.063 334 1HB CYS 43 1HB CYS 43 6.567 5.091 7.805 335 2HB CYS 43 2HB CYS 43 8.221 5.242 7.221 336 H CYS 44 H CYS 44 5.809 3.851 4.227 337 HA CYS 44 HA CYS 44 3.220 3.183 5.366 338 1HB CYS 44 1HB CYS 44 3.717 3.669 2.443 339 2HB CYS 44 2HB CYS 44 2.278 4.023 3.395 340 H ARG 45 H ARG 45 5.214 2.039 2.643 341 HA ARG 45 HA ARG 45 3.821 -0.166 1.872 342 1HB ARG 45 1HB ARG 45 6.816 -0.252 2.169 343 2HB ARG 45 2HB ARG 45 5.825 -1.046 0.956 344 1HG ARG 45 1HG ARG 45 5.195 1.257 0.145 345 2HG ARG 45 2HG ARG 45 6.476 1.873 1.189 346 1HD ARG 45 1HD ARG 45 7.478 -0.312 -0.359 347 2HD ARG 45 2HD ARG 45 6.709 0.861 -1.428 348 HE ARG 45 HE ARG 45 8.325 2.283 0.327 349 1HH1 ARG 45 1HH1 ARG 45 8.689 -0.099 -2.188 350 2HH1 ARG 45 2HH1 ARG 45 10.270 0.440 -2.648 351 1HH2 ARG 45 1HH2 ARG 45 10.403 3.001 -0.269 352 2HH2 ARG 45 2HH2 ARG 45 11.244 2.204 -1.556 353 H ARG 46 H ARG 46 6.386 -0.204 4.355 354 HA ARG 46 HA ARG 46 6.399 -2.772 5.146 355 1HB ARG 46 1HB ARG 46 6.848 -1.928 7.475 356 2HB ARG 46 2HB ARG 46 7.831 -1.202 6.210 357 1HG ARG 46 1HG ARG 46 7.184 0.811 6.835 358 2HG ARG 46 2HG ARG 46 5.499 0.382 6.534 359 1HD ARG 46 1HD ARG 46 5.389 0.911 8.755 360 2HD ARG 46 2HD ARG 46 5.731 -0.814 8.860 361 HE ARG 46 HE ARG 46 8.189 0.377 8.862 362 1HH1 ARG 46 1HH1 ARG 46 5.311 0.649 10.809 363 2HH1 ARG 46 2HH1 ARG 46 6.172 1.075 12.250 364 1HH2 ARG 46 1HH2 ARG 46 9.328 0.937 10.755 365 2HH2 ARG 46 2HH2 ARG 46 8.453 1.239 12.220 366 H MET 47 H MET 47 3.865 -0.449 5.900 367 HA MET 47 HA MET 47 2.432 -2.372 7.544 368 1HB MET 47 1HB MET 47 1.750 0.440 6.685 369 2HB MET 47 2HB MET 47 0.747 -0.542 7.742 370 1HG MET 47 1HG MET 47 2.778 -0.702 9.259 371 2HG MET 47 2HG MET 47 3.469 0.592 8.282 372 1HE MET 47 1HE MET 47 1.616 2.239 7.388 373 2HE MET 47 2HE MET 47 1.537 3.516 8.599 374 3HE MET 47 3HE MET 47 0.102 2.557 8.235 375 H LEU 48 H LEU 48 2.351 -1.018 4.332 376 HA LEU 48 HA LEU 48 -0.254 -2.003 3.689 377 1HB LEU 48 1HB LEU 48 1.912 -1.144 1.776 378 2HB LEU 48 2HB LEU 48 0.193 -1.241 1.450 379 HG LEU 48 HG LEU 48 1.142 0.582 3.608 380 1HD1 LEU 48 1HD1 LEU 48 2.210 0.741 1.052 381 2HD1 LEU 48 2HD1 LEU 48 2.179 2.022 2.265 382 3HD1 LEU 48 3HD1 LEU 48 0.897 1.919 1.061 383 1HD2 LEU 48 1HD2 LEU 48 -1.198 0.332 1.785 384 2HD2 LEU 48 2HD2 LEU 48 -0.775 1.914 2.441 385 3HD2 LEU 48 3HD2 LEU 48 -1.151 0.580 3.532 386 H ILE 49 H ILE 49 2.924 -2.816 2.265 387 HA ILE 49 HA ILE 49 2.276 -4.982 0.785 388 HB ILE 49 HB ILE 49 4.559 -5.990 1.591 389 1HG1 ILE 49 1HG1 ILE 49 5.268 -3.210 2.311 390 2HG1 ILE 49 2HG1 ILE 49 4.342 -4.100 3.521 391 1HG2 ILE 49 1HG2 ILE 49 4.176 -4.974 -0.576 392 2HG2 ILE 49 2HG2 ILE 49 5.731 -4.459 0.079 393 3HG2 ILE 49 3HG2 ILE 49 4.349 -3.366 0.128 394 1HD1 ILE 49 1HD1 ILE 49 7.075 -4.636 2.465 395 2HD1 ILE 49 2HD1 ILE 49 6.113 -5.952 3.138 396 3HD1 ILE 49 3HD1 ILE 49 6.508 -4.550 4.132 397 H SER 50 H SER 50 2.406 -4.888 4.265 398 HA SER 50 HA SER 50 2.190 -7.754 4.537 399 1HB SER 50 1HB SER 50 2.179 -5.467 6.506 400 2HB SER 50 2HB SER 50 1.870 -7.132 7.001 401 HG SER 50 HG SER 50 4.092 -6.505 7.175 402 H HIS 51 H HIS 51 0.167 -5.273 6.075 403 HA HIS 51 HA HIS 51 -2.118 -7.038 5.867 404 1HB HIS 51 1HB HIS 51 -1.707 -5.903 7.979 405 2HB HIS 51 2HB HIS 51 -1.801 -4.334 7.184 406 HD2 HIS 51 HD2 HIS 51 -3.992 -3.543 8.675 407 HE1 HIS 51 HE1 HIS 51 -6.598 -6.484 7.099 408 HE2 HIS 51 HE2 HIS 51 -6.445 -4.374 8.497 409 H VAL 52 H VAL 52 -1.693 -3.560 5.186 410 HA VAL 52 HA VAL 52 -3.003 -2.143 3.951 411 HB VAL 52 HB VAL 52 -1.278 -2.892 2.360 412 1HG1 VAL 52 1HG1 VAL 52 -2.178 -5.289 2.311 413 2HG1 VAL 52 2HG1 VAL 52 -1.570 -4.595 0.811 414 3HG1 VAL 52 3HG1 VAL 52 -3.305 -4.691 1.095 415 1HG2 VAL 52 1HG2 VAL 52 -3.045 -1.184 1.840 416 2HG2 VAL 52 2HG2 VAL 52 -3.902 -2.455 0.966 417 3HG2 VAL 52 3HG2 VAL 52 -2.295 -1.954 0.442 418 H GLU 53 H GLU 53 -5.060 -2.190 4.725 419 HA GLU 53 HA GLU 53 -6.909 -4.274 4.252 420 1HB GLU 53 1HB GLU 53 -6.840 -2.077 5.882 421 2HB GLU 53 2HB GLU 53 -8.047 -1.600 4.697 422 1HG GLU 53 1HG GLU 53 -9.085 -3.910 5.168 423 2HG GLU 53 2HG GLU 53 -8.086 -3.881 6.620 424 H THR 54 H THR 54 -7.376 -4.823 2.208 425 HA THR 54 HA THR 54 -7.981 -2.709 0.266 426 HB THR 54 HB THR 54 -8.046 -4.750 -1.338 427 HG1 THR 54 HG1 THR 54 -6.579 -6.426 -0.479 428 1HG2 THR 54 1HG2 THR 54 -5.337 -4.204 -0.170 429 2HG2 THR 54 2HG2 THR 54 -6.227 -2.943 -1.025 430 3HG2 THR 54 3HG2 THR 54 -5.794 -4.436 -1.858 431 H TRP 55 H TRP 55 -9.356 -5.589 1.775 432 HA TRP 55 HA TRP 55 -11.923 -5.066 0.462 433 1HB TRP 55 1HB TRP 55 -12.569 -7.289 1.451 434 2HB TRP 55 2HB TRP 55 -11.237 -7.359 0.302 435 HD1 TRP 55 HD1 TRP 55 -8.857 -8.078 1.216 436 HE1 TRP 55 HE1 TRP 55 -8.089 -9.148 3.427 437 HE3 TRP 55 HE3 TRP 55 -13.078 -7.317 3.999 438 HZ2 TRP 55 HZ2 TRP 55 -9.132 -9.607 6.009 439 HZ3 TRP 55 HZ3 TRP 55 -13.112 -8.103 6.330 440 HH2 TRP 55 HH2 TRP 55 -11.177 -9.224 7.313 Start of MODEL 15 1 H MET 1 H MET 1 -7.590 3.952 0.116 2 HA MET 1 HA MET 1 -5.920 3.660 1.647 3 1HB MET 1 1HB MET 1 -4.449 5.509 1.896 4 2HB MET 1 2HB MET 1 -5.168 5.652 0.298 5 1HG MET 1 1HG MET 1 -6.521 7.444 0.939 6 2HG MET 1 2HG MET 1 -6.289 7.122 2.656 7 1HE MET 1 1HE MET 1 -2.559 7.019 2.433 8 2HE MET 1 2HE MET 1 -3.935 6.807 3.515 9 3HE MET 1 3HE MET 1 -2.969 8.280 3.595 10 H ILE 2 H ILE 2 -4.981 5.087 3.762 11 HA ILE 2 HA ILE 2 -7.292 5.317 5.566 12 HB ILE 2 HB ILE 2 -4.677 3.914 6.099 13 1HG1 ILE 2 1HG1 ILE 2 -6.210 1.998 6.618 14 2HG1 ILE 2 2HG1 ILE 2 -7.546 2.978 6.020 15 1HG2 ILE 2 1HG2 ILE 2 -6.198 5.344 7.966 16 2HG2 ILE 2 2HG2 ILE 2 -4.893 4.204 8.284 17 3HG2 ILE 2 3HG2 ILE 2 -6.564 3.642 8.239 18 1HD1 ILE 2 1HD1 ILE 2 -5.347 2.839 4.138 19 2HD1 ILE 2 2HD1 ILE 2 -7.063 2.509 3.907 20 3HD1 ILE 2 3HD1 ILE 2 -6.002 1.252 4.545 21 HA PRO 3 HA PRO 3 -5.362 9.255 6.520 22 1HB PRO 3 1HB PRO 3 -6.888 9.952 8.601 23 2HB PRO 3 2HB PRO 3 -7.576 9.890 6.970 24 1HG PRO 3 1HG PRO 3 -7.639 7.780 9.124 25 2HG PRO 3 2HG PRO 3 -9.010 8.464 8.212 26 1HD PRO 3 1HD PRO 3 -7.884 6.140 7.476 27 2HD PRO 3 2HD PRO 3 -8.441 7.310 6.261 28 H VAL 4 H VAL 4 -4.574 10.294 8.717 29 HA VAL 4 HA VAL 4 -3.227 10.156 10.552 30 HB VAL 4 HB VAL 4 -5.050 7.818 10.805 31 1HG1 VAL 4 1HG1 VAL 4 -3.899 7.347 13.091 32 2HG1 VAL 4 2HG1 VAL 4 -2.461 7.993 12.300 33 3HG1 VAL 4 3HG1 VAL 4 -3.277 6.578 11.628 34 1HG2 VAL 4 1HG2 VAL 4 -4.875 9.177 13.208 35 2HG2 VAL 4 2HG2 VAL 4 -6.082 9.417 11.943 36 3HG2 VAL 4 3HG2 VAL 4 -4.636 10.426 11.986 37 H ARG 5 H ARG 5 -3.277 6.723 9.708 38 HA ARG 5 HA ARG 5 -0.551 6.277 10.005 39 1HB ARG 5 1HB ARG 5 -2.854 4.814 9.279 40 2HB ARG 5 2HB ARG 5 -1.656 4.514 8.022 41 1HG ARG 5 1HG ARG 5 -1.142 2.846 9.492 42 2HG ARG 5 2HG ARG 5 -0.082 4.119 10.098 43 1HD ARG 5 1HD ARG 5 -1.036 3.806 12.086 44 2HD ARG 5 2HD ARG 5 -2.475 4.568 11.410 45 HE ARG 5 HE ARG 5 -3.501 2.518 11.355 46 1HH1 ARG 5 1HH1 ARG 5 -0.086 2.087 11.883 47 2HH1 ARG 5 2HH1 ARG 5 -0.219 0.394 12.224 48 1HH2 ARG 5 1HH2 ARG 5 -3.689 0.288 11.804 49 2HH2 ARG 5 2HH2 ARG 5 -2.268 -0.629 12.179 50 H CYS 6 H CYS 6 0.768 5.295 8.084 51 HA CYS 6 HA CYS 6 0.875 7.367 6.010 52 1HB CYS 6 1HB CYS 6 2.861 6.078 7.612 53 2HB CYS 6 2HB CYS 6 3.172 5.694 5.923 54 H LEU 7 H LEU 7 -0.332 6.754 4.332 55 HA LEU 7 HA LEU 7 0.362 4.230 3.023 56 1HB LEU 7 1HB LEU 7 -2.430 5.313 3.356 57 2HB LEU 7 2HB LEU 7 -2.007 3.927 2.376 58 HG LEU 7 HG LEU 7 -2.850 2.922 4.265 59 1HD1 LEU 7 1HD1 LEU 7 -0.296 3.019 5.646 60 2HD1 LEU 7 2HD1 LEU 7 -0.137 2.664 3.927 61 3HD1 LEU 7 3HD1 LEU 7 -1.158 1.654 4.944 62 1HD2 LEU 7 1HD2 LEU 7 -1.496 4.995 5.978 63 2HD2 LEU 7 2HD2 LEU 7 -2.619 3.745 6.515 64 3HD2 LEU 7 3HD2 LEU 7 -3.183 5.043 5.462 65 H SER 8 H SER 8 1.426 6.700 2.466 66 HA SER 8 HA SER 8 0.948 6.964 -0.290 67 1HB SER 8 1HB SER 8 -0.507 8.860 1.511 68 2HB SER 8 2HB SER 8 0.145 9.469 -0.010 69 HG SER 8 HG SER 8 -1.530 7.190 0.193 70 H CYS 9 H CYS 9 1.708 9.204 2.380 71 HA CYS 9 HA CYS 9 3.587 10.372 2.898 72 1HB CYS 9 1HB CYS 9 4.505 7.895 1.977 73 2HB CYS 9 2HB CYS 9 5.492 9.085 1.136 74 H GLY 10 H GLY 10 1.995 10.760 0.238 75 1HA GLY 10 1HA GLY 10 2.631 13.156 -0.594 76 2HA GLY 10 2HA GLY 10 4.006 12.284 -1.256 77 H LYS 11 H LYS 11 2.501 9.895 -1.874 78 HA LYS 11 HA LYS 11 0.856 10.905 -4.099 79 1HB LYS 11 1HB LYS 11 3.163 9.103 -4.066 80 2HB LYS 11 2HB LYS 11 1.788 8.457 -4.952 81 1HG LYS 11 1HG LYS 11 3.242 9.638 -6.459 82 2HG LYS 11 2HG LYS 11 1.727 10.530 -6.291 83 1HD LYS 11 1HD LYS 11 3.364 11.526 -4.277 84 2HD LYS 11 2HD LYS 11 4.429 11.354 -5.672 85 1HE LYS 11 1HE LYS 11 1.744 12.610 -6.023 86 2HE LYS 11 2HE LYS 11 3.053 13.553 -5.310 87 1HZ LYS 11 1HZ LYS 11 4.234 12.451 -7.468 88 2HZ LYS 11 2HZ LYS 11 3.571 14.006 -7.420 89 3HZ LYS 11 3HZ LYS 11 2.666 12.719 -8.040 90 HA PRO 12 HA PRO 12 -2.415 8.412 -2.489 91 1HB PRO 12 1HB PRO 12 -3.752 7.891 -4.823 92 2HB PRO 12 2HB PRO 12 -3.867 9.415 -3.938 93 1HG PRO 12 1HG PRO 12 -2.204 8.731 -6.329 94 2HG PRO 12 2HG PRO 12 -3.125 10.208 -5.992 95 1HD PRO 12 1HD PRO 12 -0.456 10.092 -5.662 96 2HD PRO 12 2HD PRO 12 -1.491 11.056 -4.589 97 H VAL 13 H VAL 13 -2.602 6.310 -2.003 98 HA VAL 13 HA VAL 13 -1.204 4.383 -3.725 99 HB VAL 13 HB VAL 13 -0.860 2.987 -1.832 100 1HG1 VAL 13 1HG1 VAL 13 -0.328 5.894 -1.308 101 2HG1 VAL 13 2HG1 VAL 13 0.788 4.643 -1.857 102 3HG1 VAL 13 3HG1 VAL 13 0.214 4.642 -0.188 103 1HG2 VAL 13 1HG2 VAL 13 -1.744 3.503 0.402 104 2HG2 VAL 13 2HG2 VAL 13 -3.038 3.213 -0.762 105 3HG2 VAL 13 3HG2 VAL 13 -2.645 4.860 -0.275 106 H SER 14 H SER 14 -4.305 5.310 -2.620 107 HA SER 14 HA SER 14 -5.675 2.880 -2.594 108 1HB SER 14 1HB SER 14 -6.921 5.416 -3.636 109 2HB SER 14 2HB SER 14 -7.657 4.142 -2.658 110 HG SER 14 HG SER 14 -6.462 6.377 -1.840 111 H ALA 15 H ALA 15 -5.429 5.220 -5.284 112 HA ALA 15 HA ALA 15 -6.743 3.667 -7.193 113 1HB ALA 15 1HB ALA 15 -4.763 5.897 -7.364 114 2HB ALA 15 2HB ALA 15 -6.468 5.873 -7.816 115 3HB ALA 15 3HB ALA 15 -5.275 5.054 -8.825 116 H TYR 16 H TYR 16 -3.469 3.531 -6.009 117 HA TYR 16 HA TYR 16 -2.587 1.775 -8.133 118 1HB TYR 16 1HB TYR 16 -1.329 3.175 -5.836 119 2HB TYR 16 2HB TYR 16 -0.553 1.700 -6.398 120 HD1 TYR 16 HD1 TYR 16 0.070 1.550 -8.874 121 HD2 TYR 16 HD2 TYR 16 -0.997 5.202 -6.967 122 HE1 TYR 16 HE1 TYR 16 1.151 2.808 -10.689 123 HE2 TYR 16 HE2 TYR 16 0.081 6.469 -8.777 124 HH TYR 16 HH TYR 16 2.205 5.153 -10.931 125 H PHE 17 H PHE 17 -3.812 1.531 -4.889 126 HA PHE 17 HA PHE 17 -2.866 -0.890 -4.012 127 1HB PHE 17 1HB PHE 17 -5.436 0.562 -3.643 128 2HB PHE 17 2HB PHE 17 -5.395 -1.128 -3.157 129 HD1 PHE 17 HD1 PHE 17 -2.249 0.589 -2.860 130 HD2 PHE 17 HD2 PHE 17 -5.936 -0.210 -0.886 131 HE1 PHE 17 HE1 PHE 17 -1.236 1.228 -0.712 132 HE2 PHE 17 HE2 PHE 17 -4.926 0.428 1.264 133 HZ PHE 17 HZ PHE 17 -2.576 1.149 1.352 134 H ASN 18 H ASN 18 -5.054 -0.271 -6.629 135 HA ASN 18 HA ASN 18 -6.175 -2.842 -6.905 136 1HB ASN 18 1HB ASN 18 -5.601 -0.766 -9.033 137 2HB ASN 18 2HB ASN 18 -6.659 -2.161 -9.229 138 1HD2 ASN 18 1HD2 ASN 18 -7.497 0.451 -9.641 139 2HD2 ASN 18 2HD2 ASN 18 -8.668 0.858 -8.429 140 H GLU 19 H GLU 19 -3.174 -1.396 -8.011 141 HA GLU 19 HA GLU 19 -2.357 -3.470 -9.741 142 1HB GLU 19 1HB GLU 19 -1.390 -1.013 -9.161 143 2HB GLU 19 2HB GLU 19 -0.268 -2.002 -8.237 144 1HG GLU 19 1HG GLU 19 0.805 -1.794 -10.258 145 2HG GLU 19 2HG GLU 19 -0.022 -3.343 -10.434 146 H TYR 20 H TYR 20 -1.642 -2.806 -6.332 147 HA TYR 20 HA TYR 20 -0.012 -5.013 -5.806 148 1HB TYR 20 1HB TYR 20 -0.152 -3.301 -4.165 149 2HB TYR 20 2HB TYR 20 -1.901 -3.419 -4.074 150 HD1 TYR 20 HD1 TYR 20 1.257 -4.726 -2.859 151 HD2 TYR 20 HD2 TYR 20 -2.953 -5.331 -2.907 152 HE1 TYR 20 HE1 TYR 20 1.459 -6.253 -0.939 153 HE2 TYR 20 HE2 TYR 20 -2.764 -6.859 -0.991 154 HH TYR 20 HH TYR 20 0.338 -7.912 0.222 155 H GLN 21 H GLN 21 -3.521 -4.645 -5.522 156 HA GLN 21 HA GLN 21 -4.145 -7.178 -4.559 157 1HB GLN 21 1HB GLN 21 -5.754 -5.312 -4.707 158 2HB GLN 21 2HB GLN 21 -5.771 -5.476 -6.458 159 1HG GLN 21 1HG GLN 21 -7.028 -7.374 -6.413 160 2HG GLN 21 2HG GLN 21 -6.440 -7.861 -4.824 161 1HE2 GLN 21 1HE2 GLN 21 -7.026 -6.051 -3.115 162 2HE2 GLN 21 2HE2 GLN 21 -8.697 -5.618 -3.105 163 H ARG 22 H ARG 22 -4.295 -6.094 -7.956 164 HA ARG 22 HA ARG 22 -4.840 -8.516 -9.149 165 1HB ARG 22 1HB ARG 22 -3.119 -6.248 -10.163 166 2HB ARG 22 2HB ARG 22 -3.680 -7.579 -11.164 167 1HG ARG 22 1HG ARG 22 -5.680 -5.984 -9.645 168 2HG ARG 22 2HG ARG 22 -4.964 -5.301 -11.106 169 1HD ARG 22 1HD ARG 22 -5.997 -6.784 -12.474 170 2HD ARG 22 2HD ARG 22 -5.934 -8.086 -11.286 171 HE ARG 22 HE ARG 22 -7.745 -6.018 -10.523 172 1HH1 ARG 22 1HH1 ARG 22 -7.381 -8.829 -12.544 173 2HH1 ARG 22 2HH1 ARG 22 -9.076 -9.181 -12.583 174 1HH2 ARG 22 1HH2 ARG 22 -9.980 -6.472 -10.567 175 2HH2 ARG 22 2HH2 ARG 22 -10.554 -7.841 -11.459 176 H ARG 23 H ARG 23 -1.637 -7.124 -8.479 177 HA ARG 23 HA ARG 23 -0.138 -9.279 -9.475 178 1HB ARG 23 1HB ARG 23 0.377 -6.851 -7.997 179 2HB ARG 23 2HB ARG 23 1.431 -8.176 -7.505 180 1HG ARG 23 1HG ARG 23 2.637 -7.375 -9.241 181 2HG ARG 23 2HG ARG 23 1.620 -8.504 -10.119 182 1HD ARG 23 1HD ARG 23 0.063 -6.673 -10.627 183 2HD ARG 23 2HD ARG 23 1.148 -5.543 -9.814 184 HE ARG 23 HE ARG 23 2.529 -5.589 -11.650 185 1HH1 ARG 23 1HH1 ARG 23 0.194 -8.163 -11.880 186 2HH1 ARG 23 2HH1 ARG 23 0.602 -8.562 -13.515 187 1HH2 ARG 23 1HH2 ARG 23 3.075 -6.106 -13.803 188 2HH2 ARG 23 2HH2 ARG 23 2.240 -7.392 -14.608 189 H VAL 24 H VAL 24 -0.646 -8.404 -6.050 190 HA VAL 24 HA VAL 24 0.350 -10.742 -4.936 191 HB VAL 24 HB VAL 24 -1.906 -9.079 -3.811 192 1HG1 VAL 24 1HG1 VAL 24 -1.123 -9.872 -1.648 193 2HG1 VAL 24 2HG1 VAL 24 0.132 -10.828 -2.437 194 3HG1 VAL 24 3HG1 VAL 24 -1.567 -11.229 -2.683 195 1HG2 VAL 24 1HG2 VAL 24 0.543 -8.410 -2.601 196 2HG2 VAL 24 2HG2 VAL 24 -0.463 -7.401 -3.641 197 3HG2 VAL 24 3HG2 VAL 24 0.821 -8.385 -4.342 198 H ALA 25 H ALA 25 -2.677 -10.157 -6.506 199 HA ALA 25 HA ALA 25 -4.204 -12.243 -5.392 200 1HB ALA 25 1HB ALA 25 -5.518 -10.778 -6.554 201 2HB ALA 25 2HB ALA 25 -5.360 -12.063 -7.750 202 3HB ALA 25 3HB ALA 25 -4.362 -10.614 -7.876 203 H ASP 26 H ASP 26 -2.337 -12.131 -8.429 204 HA ASP 26 HA ASP 26 -2.714 -14.922 -8.941 205 1HB ASP 26 1HB ASP 26 -2.373 -13.251 -10.747 206 2HB ASP 26 2HB ASP 26 -0.724 -13.007 -10.181 207 H GLY 27 H GLY 27 -0.409 -13.026 -7.193 208 1HA GLY 27 1HA GLY 27 0.861 -14.291 -5.498 209 2HA GLY 27 2HA GLY 27 1.200 -15.467 -6.758 210 H GLU 28 H GLU 28 1.262 -12.104 -7.567 211 HA GLU 28 HA GLU 28 4.050 -12.287 -8.258 212 1HB GLU 28 1HB GLU 28 2.249 -9.861 -8.363 213 2HB GLU 28 2HB GLU 28 3.772 -10.086 -9.211 214 1HG GLU 28 1HG GLU 28 2.353 -12.224 -10.094 215 2HG GLU 28 2HG GLU 28 1.084 -11.020 -9.885 216 H ASP 29 H ASP 29 5.744 -11.071 -7.408 217 HA ASP 29 HA ASP 29 5.804 -10.720 -4.644 218 1HB ASP 29 1HB ASP 29 7.622 -10.473 -6.808 219 2HB ASP 29 2HB ASP 29 7.727 -8.986 -5.871 220 HA PRO 30 HA PRO 30 3.336 -6.918 -4.551 221 1HB PRO 30 1HB PRO 30 4.072 -7.028 -1.691 222 2HB PRO 30 2HB PRO 30 2.480 -6.922 -2.443 223 1HG PRO 30 1HG PRO 30 3.336 -9.190 -1.298 224 2HG PRO 30 2HG PRO 30 2.312 -9.201 -2.746 225 1HD PRO 30 1HD PRO 30 5.249 -9.676 -2.494 226 2HD PRO 30 2HD PRO 30 4.067 -10.454 -3.566 227 H LYS 31 H LYS 31 6.387 -7.362 -2.771 228 HA LYS 31 HA LYS 31 7.101 -4.756 -2.300 229 1HB LYS 31 1HB LYS 31 8.426 -7.280 -2.392 230 2HB LYS 31 2HB LYS 31 9.436 -6.095 -3.204 231 1HG LYS 31 1HG LYS 31 9.713 -4.821 -1.297 232 2HG LYS 31 2HG LYS 31 8.257 -5.466 -0.533 233 1HD LYS 31 1HD LYS 31 9.304 -7.463 0.056 234 2HD LYS 31 2HD LYS 31 10.593 -7.247 -1.129 235 1HE LYS 31 1HE LYS 31 11.705 -5.677 0.178 236 2HE LYS 31 2HE LYS 31 10.269 -5.322 1.140 237 1HZ LYS 31 1HZ LYS 31 10.734 -7.974 1.580 238 2HZ LYS 31 2HZ LYS 31 11.125 -6.708 2.632 239 3HZ LYS 31 3HZ LYS 31 12.287 -7.302 1.557 240 H ASP 32 H ASP 32 7.462 -6.598 -5.295 241 HA ASP 32 HA ASP 32 8.775 -4.561 -6.770 242 1HB ASP 32 1HB ASP 32 7.720 -7.196 -7.273 243 2HB ASP 32 2HB ASP 32 7.217 -6.096 -8.552 244 H VAL 33 H VAL 33 5.409 -5.412 -6.187 245 HA VAL 33 HA VAL 33 4.210 -3.609 -7.982 246 HB VAL 33 HB VAL 33 3.126 -4.501 -5.307 247 1HG1 VAL 33 1HG1 VAL 33 2.126 -2.737 -7.347 248 2HG1 VAL 33 2HG1 VAL 33 1.442 -3.125 -5.767 249 3HG1 VAL 33 3HG1 VAL 33 1.067 -4.136 -7.164 250 1HG2 VAL 33 1HG2 VAL 33 3.658 -6.450 -6.596 251 2HG2 VAL 33 2HG2 VAL 33 2.900 -5.760 -8.034 252 3HG2 VAL 33 3HG2 VAL 33 1.910 -6.210 -6.645 253 H LEU 34 H LEU 34 5.254 -3.273 -4.611 254 HA LEU 34 HA LEU 34 4.288 -0.758 -4.025 255 1HB LEU 34 1HB LEU 34 6.768 -2.216 -3.207 256 2HB LEU 34 2HB LEU 34 6.537 -0.557 -2.707 257 HG LEU 34 HG LEU 34 5.829 -2.356 -1.055 258 1HD1 LEU 34 1HD1 LEU 34 4.418 -0.874 -0.109 259 2HD1 LEU 34 2HD1 LEU 34 3.447 -0.700 -1.571 260 3HD1 LEU 34 3HD1 LEU 34 4.976 0.165 -1.421 261 1HD2 LEU 34 1HD2 LEU 34 4.709 -3.934 -2.376 262 2HD2 LEU 34 2HD2 LEU 34 3.722 -2.702 -3.163 263 3HD2 LEU 34 3HD2 LEU 34 3.436 -3.115 -1.474 264 H ASP 35 H ASP 35 7.181 -1.657 -5.827 265 HA ASP 35 HA ASP 35 8.227 0.919 -6.199 266 1HB ASP 35 1HB ASP 35 9.355 -1.297 -6.743 267 2HB ASP 35 2HB ASP 35 8.380 -1.334 -8.210 268 H ASP 36 H ASP 36 5.714 -0.894 -7.807 269 HA ASP 36 HA ASP 36 5.337 1.048 -9.912 270 1HB ASP 36 1HB ASP 36 4.596 -1.646 -9.460 271 2HB ASP 36 2HB ASP 36 3.098 -0.733 -9.603 272 H LEU 37 H LEU 37 3.633 0.054 -6.972 273 HA LEU 37 HA LEU 37 1.337 1.537 -7.089 274 1HB LEU 37 1HB LEU 37 3.135 0.771 -4.824 275 2HB LEU 37 2HB LEU 37 1.740 1.785 -4.517 276 HG LEU 37 HG LEU 37 1.120 -0.630 -6.060 277 1HD1 LEU 37 1HD1 LEU 37 2.455 -0.799 -3.398 278 2HD1 LEU 37 2HD1 LEU 37 2.617 -1.847 -4.806 279 3HD1 LEU 37 3HD1 LEU 37 1.170 -1.934 -3.804 280 1HD2 LEU 37 1HD2 LEU 37 -0.874 -0.253 -5.160 281 2HD2 LEU 37 2HD2 LEU 37 -0.201 1.215 -4.452 282 3HD2 LEU 37 3HD2 LEU 37 -0.213 -0.286 -3.525 283 H GLY 38 H GLY 38 4.465 2.629 -5.784 284 1HA GLY 38 1HA GLY 38 5.386 4.767 -6.152 285 2HA GLY 38 2HA GLY 38 3.795 5.358 -6.599 286 H LEU 39 H LEU 39 5.209 3.788 -3.722 287 HA LEU 39 HA LEU 39 4.042 5.960 -2.108 288 1HB LEU 39 1HB LEU 39 4.645 3.353 -0.832 289 2HB LEU 39 2HB LEU 39 3.345 4.485 -0.513 290 HG LEU 39 HG LEU 39 2.414 3.695 -2.803 291 1HD1 LEU 39 1HD1 LEU 39 4.652 1.855 -2.342 292 2HD1 LEU 39 2HD1 LEU 39 3.827 2.294 -3.838 293 3HD1 LEU 39 3HD1 LEU 39 3.123 1.082 -2.766 294 1HD2 LEU 39 1HD2 LEU 39 1.713 3.163 -0.319 295 2HD2 LEU 39 2HD2 LEU 39 2.259 1.547 -0.764 296 3HD2 LEU 39 3HD2 LEU 39 0.976 2.328 -1.687 297 H LYS 40 H LYS 40 5.755 7.290 -1.819 298 HA LYS 40 HA LYS 40 8.429 6.568 -1.588 299 1HB LYS 40 1HB LYS 40 6.818 8.962 -1.052 300 2HB LYS 40 2HB LYS 40 8.268 8.848 -0.064 301 1HG LYS 40 1HG LYS 40 9.205 9.897 -1.816 302 2HG LYS 40 2HG LYS 40 9.309 8.260 -2.468 303 1HD LYS 40 1HD LYS 40 8.340 9.384 -4.227 304 2HD LYS 40 2HD LYS 40 6.915 8.783 -3.377 305 1HE LYS 40 1HE LYS 40 6.254 10.845 -2.754 306 2HE LYS 40 2HE LYS 40 7.904 11.406 -2.483 307 1HZ LYS 40 1HZ LYS 40 8.185 11.699 -4.842 308 2HZ LYS 40 2HZ LYS 40 6.810 12.546 -4.338 309 3HZ LYS 40 3HZ LYS 40 6.644 11.073 -5.151 310 H ARG 41 H ARG 41 9.836 6.397 0.199 311 HA ARG 41 HA ARG 41 10.499 5.626 2.232 312 1HB ARG 41 1HB ARG 41 7.949 7.016 3.064 313 2HB ARG 41 2HB ARG 41 9.084 6.314 4.209 314 1HG ARG 41 1HG ARG 41 10.846 7.805 3.292 315 2HG ARG 41 2HG ARG 41 9.610 8.572 2.291 316 1HD ARG 41 1HD ARG 41 8.946 9.847 3.984 317 2HD ARG 41 2HD ARG 41 8.727 8.436 5.019 318 HE ARG 41 HE ARG 41 10.976 10.237 4.985 319 1HH1 ARG 41 1HH1 ARG 41 9.831 7.067 5.860 320 2HH1 ARG 41 2HH1 ARG 41 11.044 6.820 7.072 321 1HH2 ARG 41 1HH2 ARG 41 12.577 9.924 6.578 322 2HH2 ARG 41 2HH2 ARG 41 12.606 8.445 7.480 323 H TYR 42 H TYR 42 10.278 3.848 3.608 324 HA TYR 42 HA TYR 42 8.345 1.895 2.700 325 1HB TYR 42 1HB TYR 42 9.636 0.280 3.898 326 2HB TYR 42 2HB TYR 42 10.781 1.368 3.119 327 HD1 TYR 42 HD1 TYR 42 12.412 2.479 4.382 328 HD2 TYR 42 HD2 TYR 42 9.109 0.672 6.365 329 HE1 TYR 42 HE1 TYR 42 13.490 2.901 6.551 330 HE2 TYR 42 HE2 TYR 42 10.178 1.090 8.539 331 HH TYR 42 HH TYR 42 13.379 1.869 8.895 332 H CYS 43 H CYS 43 8.594 4.148 5.255 333 HA CYS 43 HA CYS 43 7.408 2.990 7.422 334 1HB CYS 43 1HB CYS 43 6.358 5.237 7.854 335 2HB CYS 43 2HB CYS 43 8.087 5.282 7.525 336 H CYS 44 H CYS 44 5.936 3.825 4.378 337 HA CYS 44 HA CYS 44 3.254 3.213 5.318 338 1HB CYS 44 1HB CYS 44 3.940 3.608 2.427 339 2HB CYS 44 2HB CYS 44 2.469 4.053 3.292 340 H ARG 45 H ARG 45 5.321 2.030 2.664 341 HA ARG 45 HA ARG 45 3.958 -0.181 1.900 342 1HB ARG 45 1HB ARG 45 6.948 -0.243 2.277 343 2HB ARG 45 2HB ARG 45 5.996 -1.098 1.073 344 1HG ARG 45 1HG ARG 45 5.345 1.195 0.189 345 2HG ARG 45 2HG ARG 45 6.645 1.825 1.203 346 1HD ARG 45 1HD ARG 45 7.482 -0.465 -0.372 347 2HD ARG 45 2HD ARG 45 6.893 0.858 -1.377 348 HE ARG 45 HE ARG 45 8.645 1.905 0.541 349 1HH1 ARG 45 1HH1 ARG 45 8.694 -0.148 -2.271 350 2HH1 ARG 45 2HH1 ARG 45 10.320 0.262 -2.703 351 1HH2 ARG 45 1HH2 ARG 45 10.786 2.453 -0.019 352 2HH2 ARG 45 2HH2 ARG 45 11.510 1.742 -1.421 353 H ARG 46 H ARG 46 6.347 -0.133 4.555 354 HA ARG 46 HA ARG 46 6.398 -2.724 5.331 355 1HB ARG 46 1HB ARG 46 6.857 -2.004 7.585 356 2HB ARG 46 2HB ARG 46 7.608 -0.875 6.464 357 1HG ARG 46 1HG ARG 46 5.608 0.611 6.786 358 2HG ARG 46 2HG ARG 46 5.106 -0.477 8.082 359 1HD ARG 46 1HD ARG 46 7.316 -0.089 9.169 360 2HD ARG 46 2HD ARG 46 7.652 1.129 7.939 361 HE ARG 46 HE ARG 46 5.230 1.825 9.061 362 1HH1 ARG 46 1HH1 ARG 46 8.507 1.379 10.152 363 2HH1 ARG 46 2HH1 ARG 46 8.381 2.545 11.426 364 1HH2 ARG 46 1HH2 ARG 46 5.053 3.365 10.738 365 2HH2 ARG 46 2HH2 ARG 46 6.418 3.674 11.759 366 H MET 47 H MET 47 3.845 -0.411 6.147 367 HA MET 47 HA MET 47 2.326 -2.387 7.592 368 1HB MET 47 1HB MET 47 1.715 0.437 6.721 369 2HB MET 47 2HB MET 47 0.570 -0.564 7.602 370 1HG MET 47 1HG MET 47 1.621 -0.272 9.553 371 2HG MET 47 2HG MET 47 3.223 -0.381 8.826 372 1HE MET 47 1HE MET 47 0.150 1.704 8.157 373 2HE MET 47 2HE MET 47 1.162 2.472 6.932 374 3HE MET 47 3HE MET 47 0.660 3.380 8.357 375 H LEU 48 H LEU 48 2.509 -1.139 4.368 376 HA LEU 48 HA LEU 48 -0.057 -2.129 3.553 377 1HB LEU 48 1HB LEU 48 2.232 -1.224 1.812 378 2HB LEU 48 2HB LEU 48 0.550 -1.372 1.343 379 HG LEU 48 HG LEU 48 1.331 0.491 3.550 380 1HD1 LEU 48 1HD1 LEU 48 2.381 0.678 0.966 381 2HD1 LEU 48 2HD1 LEU 48 2.368 1.925 2.213 382 3HD1 LEU 48 3HD1 LEU 48 1.058 1.843 1.036 383 1HD2 LEU 48 1HD2 LEU 48 -0.629 1.717 2.306 384 2HD2 LEU 48 2HD2 LEU 48 -0.948 0.422 3.458 385 3HD2 LEU 48 3HD2 LEU 48 -0.979 0.089 1.725 386 H ILE 49 H ILE 49 3.177 -2.872 2.225 387 HA ILE 49 HA ILE 49 2.605 -5.104 0.804 388 HB ILE 49 HB ILE 49 4.924 -5.994 1.577 389 1HG1 ILE 49 1HG1 ILE 49 5.560 -3.217 2.332 390 2HG1 ILE 49 2HG1 ILE 49 4.632 -4.120 3.529 391 1HG2 ILE 49 1HG2 ILE 49 4.573 -3.368 0.143 392 2HG2 ILE 49 2HG2 ILE 49 4.534 -4.979 -0.573 393 3HG2 ILE 49 3HG2 ILE 49 6.036 -4.351 0.106 394 1HD1 ILE 49 1HD1 ILE 49 7.331 -4.791 2.406 395 2HD1 ILE 49 2HD1 ILE 49 6.374 -5.914 3.371 396 3HD1 ILE 49 3HD1 ILE 49 6.912 -4.387 4.070 397 H SER 50 H SER 50 2.761 -4.895 4.276 398 HA SER 50 HA SER 50 2.664 -7.755 4.653 399 1HB SER 50 1HB SER 50 2.488 -5.417 6.560 400 2HB SER 50 2HB SER 50 2.338 -7.094 7.085 401 HG SER 50 HG SER 50 4.548 -5.759 6.771 402 H HIS 51 H HIS 51 0.531 -5.319 6.101 403 HA HIS 51 HA HIS 51 -1.686 -7.175 5.919 404 1HB HIS 51 1HB HIS 51 -1.364 -6.004 8.011 405 2HB HIS 51 2HB HIS 51 -1.438 -4.447 7.195 406 HD2 HIS 51 HD2 HIS 51 -3.852 -3.309 7.289 407 HE1 HIS 51 HE1 HIS 51 -6.094 -6.829 7.995 408 HE2 HIS 51 HE2 HIS 51 -6.203 -4.306 7.756 409 H VAL 52 H VAL 52 -1.723 -3.674 5.433 410 HA VAL 52 HA VAL 52 -2.860 -2.316 4.053 411 HB VAL 52 HB VAL 52 -1.153 -3.232 2.478 412 1HG1 VAL 52 1HG1 VAL 52 -1.703 -5.445 2.102 413 2HG1 VAL 52 2HG1 VAL 52 -2.185 -4.643 0.607 414 3HG1 VAL 52 3HG1 VAL 52 -3.402 -5.079 1.806 415 1HG2 VAL 52 1HG2 VAL 52 -2.076 -2.136 0.607 416 2HG2 VAL 52 2HG2 VAL 52 -2.761 -1.346 2.029 417 3HG2 VAL 52 3HG2 VAL 52 -3.725 -2.507 1.113 418 H GLU 53 H GLU 53 -4.903 -1.815 3.550 419 HA GLU 53 HA GLU 53 -6.910 -3.846 3.974 420 1HB GLU 53 1HB GLU 53 -6.770 -1.108 4.422 421 2HB GLU 53 2HB GLU 53 -7.900 -1.255 3.084 422 1HG GLU 53 1HG GLU 53 -9.016 -3.068 4.553 423 2HG GLU 53 2HG GLU 53 -8.113 -2.309 5.864 424 H THR 54 H THR 54 -7.734 -5.054 2.417 425 HA THR 54 HA THR 54 -7.927 -3.928 -0.297 426 HB THR 54 HB THR 54 -7.625 -6.391 -1.054 427 HG1 THR 54 HG1 THR 54 -7.570 -7.410 0.938 428 1HG2 THR 54 1HG2 THR 54 -6.028 -4.374 -1.290 429 2HG2 THR 54 2HG2 THR 54 -5.370 -5.997 -1.499 430 3HG2 THR 54 3HG2 THR 54 -5.122 -5.134 0.019 431 H TRP 55 H TRP 55 -9.854 -4.216 1.964 432 HA TRP 55 HA TRP 55 -11.731 -6.217 1.017 433 1HB TRP 55 1HB TRP 55 -11.340 -5.718 3.465 434 2HB TRP 55 2HB TRP 55 -12.144 -4.174 3.206 435 HD1 TRP 55 HD1 TRP 55 -14.789 -4.208 2.828 436 HE1 TRP 55 HE1 TRP 55 -16.576 -5.990 3.332 437 HE3 TRP 55 HE3 TRP 55 -11.734 -8.249 3.514 438 HZ2 TRP 55 HZ2 TRP 55 -16.677 -8.744 3.940 439 HZ3 TRP 55 HZ3 TRP 55 -12.756 -10.421 4.054 440 HH2 TRP 55 HH2 TRP 55 -15.177 -10.662 4.263 Start of MODEL 16 1 H MET 1 H MET 1 -6.937 7.911 0.228 2 HA MET 1 HA MET 1 -5.745 5.475 1.191 3 1HB MET 1 1HB MET 1 -3.896 6.856 1.874 4 2HB MET 1 2HB MET 1 -4.417 7.376 0.278 5 1HG MET 1 1HG MET 1 -5.233 9.372 1.036 6 2HG MET 1 2HG MET 1 -5.527 8.761 2.663 7 1HE MET 1 1HE MET 1 -2.462 8.686 4.479 8 2HE MET 1 2HE MET 1 -1.869 7.698 3.143 9 3HE MET 1 3HE MET 1 -3.528 7.507 3.712 10 H ILE 2 H ILE 2 -5.339 4.919 3.350 11 HA ILE 2 HA ILE 2 -7.431 5.621 5.167 12 HB ILE 2 HB ILE 2 -4.939 3.963 5.525 13 1HG1 ILE 2 1HG1 ILE 2 -6.630 2.105 5.614 14 2HG1 ILE 2 2HG1 ILE 2 -7.858 3.282 5.160 15 1HG2 ILE 2 1HG2 ILE 2 -5.723 3.249 7.654 16 2HG2 ILE 2 2HG2 ILE 2 -7.227 4.149 7.469 17 3HG2 ILE 2 3HG2 ILE 2 -5.702 5.011 7.667 18 1HD1 ILE 2 1HD1 ILE 2 -5.420 2.792 3.490 19 2HD1 ILE 2 2HD1 ILE 2 -6.923 3.594 3.035 20 3HD1 ILE 2 3HD1 ILE 2 -6.902 1.852 3.311 21 HA PRO 3 HA PRO 3 -5.394 9.139 7.006 22 1HB PRO 3 1HB PRO 3 -6.966 9.492 9.127 23 2HB PRO 3 2HB PRO 3 -7.617 9.725 7.496 24 1HG PRO 3 1HG PRO 3 -7.771 7.283 9.256 25 2HG PRO 3 2HG PRO 3 -9.104 8.137 8.435 26 1HD PRO 3 1HD PRO 3 -7.959 5.942 7.363 27 2HD PRO 3 2HD PRO 3 -8.527 7.283 6.348 28 H VAL 4 H VAL 4 -4.647 9.731 9.353 29 HA VAL 4 HA VAL 4 -3.358 9.239 11.167 30 HB VAL 4 HB VAL 4 -5.235 6.940 10.966 31 1HG1 VAL 4 1HG1 VAL 4 -4.185 6.039 13.152 32 2HG1 VAL 4 2HG1 VAL 4 -2.709 6.814 12.576 33 3HG1 VAL 4 3HG1 VAL 4 -3.481 5.557 11.606 34 1HG2 VAL 4 1HG2 VAL 4 -4.592 9.115 12.903 35 2HG2 VAL 4 2HG2 VAL 4 -5.497 7.698 13.437 36 3HG2 VAL 4 3HG2 VAL 4 -6.125 8.706 12.133 37 H ARG 5 H ARG 5 -3.457 6.008 9.712 38 HA ARG 5 HA ARG 5 -0.701 5.538 9.965 39 1HB ARG 5 1HB ARG 5 -3.024 4.149 9.060 40 2HB ARG 5 2HB ARG 5 -1.761 3.949 7.849 41 1HG ARG 5 1HG ARG 5 -1.466 2.139 9.278 42 2HG ARG 5 2HG ARG 5 -0.256 3.301 9.828 43 1HD ARG 5 1HD ARG 5 -2.924 3.461 11.092 44 2HD ARG 5 2HD ARG 5 -1.948 2.047 11.486 45 HE ARG 5 HE ARG 5 -1.520 4.732 12.365 46 1HH1 ARG 5 1HH1 ARG 5 0.071 1.734 11.585 47 2HH1 ARG 5 2HH1 ARG 5 1.435 2.042 12.608 48 1HH2 ARG 5 1HH2 ARG 5 0.271 5.148 13.714 49 2HH2 ARG 5 2HH2 ARG 5 1.548 3.982 13.818 50 H CYS 6 H CYS 6 0.820 5.114 8.195 51 HA CYS 6 HA CYS 6 0.711 7.236 6.204 52 1HB CYS 6 1HB CYS 6 2.784 5.951 7.672 53 2HB CYS 6 2HB CYS 6 3.076 5.654 5.961 54 H LEU 7 H LEU 7 -0.431 6.741 4.456 55 HA LEU 7 HA LEU 7 0.252 4.284 3.014 56 1HB LEU 7 1HB LEU 7 -2.521 5.426 3.315 57 2HB LEU 7 2HB LEU 7 -2.100 4.049 2.325 58 HG LEU 7 HG LEU 7 -3.003 3.006 4.154 59 1HD1 LEU 7 1HD1 LEU 7 -0.295 2.736 3.944 60 2HD1 LEU 7 2HD1 LEU 7 -1.348 1.753 4.955 61 3HD1 LEU 7 3HD1 LEU 7 -0.505 3.132 5.647 62 1HD2 LEU 7 1HD2 LEU 7 -1.701 4.862 6.104 63 2HD2 LEU 7 2HD2 LEU 7 -3.117 3.836 6.323 64 3HD2 LEU 7 3HD2 LEU 7 -3.220 5.276 5.310 65 H SER 8 H SER 8 1.331 6.845 2.660 66 HA SER 8 HA SER 8 0.929 7.229 -0.110 67 1HB SER 8 1HB SER 8 -0.436 9.146 1.767 68 2HB SER 8 2HB SER 8 0.121 9.677 0.180 69 HG SER 8 HG SER 8 -1.852 8.977 -0.278 70 H CYS 9 H CYS 9 1.573 9.573 2.493 71 HA CYS 9 HA CYS 9 3.469 10.667 3.121 72 1HB CYS 9 1HB CYS 9 4.424 8.169 2.119 73 2HB CYS 9 2HB CYS 9 5.521 9.436 1.582 74 H GLY 10 H GLY 10 2.011 10.994 0.364 75 1HA GLY 10 1HA GLY 10 2.664 13.356 -0.507 76 2HA GLY 10 2HA GLY 10 4.111 12.504 -1.026 77 H LYS 11 H LYS 11 2.579 10.051 -1.626 78 HA LYS 11 HA LYS 11 1.142 10.979 -4.017 79 1HB LYS 11 1HB LYS 11 3.556 9.473 -3.903 80 2HB LYS 11 2HB LYS 11 2.290 8.424 -4.532 81 1HG LYS 11 1HG LYS 11 3.506 9.600 -6.306 82 2HG LYS 11 2HG LYS 11 1.796 10.034 -6.274 83 1HD LYS 11 1HD LYS 11 2.276 12.085 -5.148 84 2HD LYS 11 2HD LYS 11 3.974 11.645 -4.981 85 1HE LYS 11 1HE LYS 11 2.495 12.165 -7.558 86 2HE LYS 11 2HE LYS 11 3.676 13.233 -6.799 87 1HZ LYS 11 1HZ LYS 11 4.906 12.133 -8.395 88 2HZ LYS 11 2HZ LYS 11 4.121 10.654 -8.154 89 3HZ LYS 11 3HZ LYS 11 5.233 11.218 -7.010 90 HA PRO 12 HA PRO 12 -2.202 8.478 -2.602 91 1HB PRO 12 1HB PRO 12 -3.345 7.881 -5.023 92 2HB PRO 12 2HB PRO 12 -3.561 9.414 -4.174 93 1HG PRO 12 1HG PRO 12 -1.722 8.738 -6.431 94 2HG PRO 12 2HG PRO 12 -2.679 10.207 -6.167 95 1HD PRO 12 1HD PRO 12 -0.033 10.108 -5.657 96 2HD PRO 12 2HD PRO 12 -1.143 11.090 -4.683 97 H VAL 13 H VAL 13 -2.498 6.375 -2.136 98 HA VAL 13 HA VAL 13 -0.942 4.411 -3.681 99 HB VAL 13 HB VAL 13 -0.750 3.059 -1.721 100 1HG1 VAL 13 1HG1 VAL 13 0.267 4.735 -0.074 101 2HG1 VAL 13 2HG1 VAL 13 -0.194 5.972 -1.244 102 3HG1 VAL 13 3HG1 VAL 13 0.930 4.695 -1.710 103 1HG2 VAL 13 1HG2 VAL 13 -2.574 5.030 -0.340 104 2HG2 VAL 13 2HG2 VAL 13 -1.766 3.662 0.427 105 3HG2 VAL 13 3HG2 VAL 13 -2.993 3.385 -0.809 106 H SER 14 H SER 14 -4.067 5.149 -2.287 107 HA SER 14 HA SER 14 -5.388 2.745 -2.510 108 1HB SER 14 1HB SER 14 -6.792 5.266 -3.325 109 2HB SER 14 2HB SER 14 -7.368 3.944 -2.302 110 HG SER 14 HG SER 14 -6.293 6.221 -1.532 111 H ALA 15 H ALA 15 -5.042 5.242 -5.024 112 HA ALA 15 HA ALA 15 -6.518 3.963 -7.020 113 1HB ALA 15 1HB ALA 15 -5.733 6.311 -7.108 114 2HB ALA 15 2HB ALA 15 -5.399 5.409 -8.585 115 3HB ALA 15 3HB ALA 15 -4.104 5.721 -7.430 116 H TYR 16 H TYR 16 -3.205 3.525 -5.963 117 HA TYR 16 HA TYR 16 -2.575 1.748 -8.154 118 1HB TYR 16 1HB TYR 16 -1.101 3.007 -5.899 119 2HB TYR 16 2HB TYR 16 -0.447 1.514 -6.563 120 HD1 TYR 16 HD1 TYR 16 -0.999 5.059 -7.133 121 HD2 TYR 16 HD2 TYR 16 0.264 1.418 -8.937 122 HE1 TYR 16 HE1 TYR 16 0.020 6.332 -8.974 123 HE2 TYR 16 HE2 TYR 16 1.287 2.680 -10.783 124 HH TYR 16 HH TYR 16 0.817 5.107 -11.838 125 H PHE 17 H PHE 17 -3.701 1.512 -4.892 126 HA PHE 17 HA PHE 17 -2.848 -0.915 -3.994 127 1HB PHE 17 1HB PHE 17 -5.466 0.501 -3.752 128 2HB PHE 17 2HB PHE 17 -5.355 -1.152 -3.169 129 HD1 PHE 17 HD1 PHE 17 -2.234 0.516 -2.846 130 HD2 PHE 17 HD2 PHE 17 -6.060 0.083 -1.028 131 HE1 PHE 17 HE1 PHE 17 -1.310 1.327 -0.717 132 HE2 PHE 17 HE2 PHE 17 -5.140 0.895 1.103 133 HZ PHE 17 HZ PHE 17 -2.767 1.519 1.259 134 H ASN 18 H ASN 18 -5.150 -0.319 -6.567 135 HA ASN 18 HA ASN 18 -6.210 -2.881 -6.874 136 1HB ASN 18 1HB ASN 18 -5.856 -0.511 -8.626 137 2HB ASN 18 2HB ASN 18 -6.134 -2.049 -9.438 138 1HD2 ASN 18 1HD2 ASN 18 -7.908 0.065 -9.595 139 2HD2 ASN 18 2HD2 ASN 18 -9.377 -0.370 -8.781 140 H GLU 19 H GLU 19 -3.203 -1.464 -8.059 141 HA GLU 19 HA GLU 19 -2.376 -3.598 -9.691 142 1HB GLU 19 1HB GLU 19 -1.381 -1.148 -9.208 143 2HB GLU 19 2HB GLU 19 -0.307 -2.088 -8.182 144 1HG GLU 19 1HG GLU 19 0.793 -1.908 -10.236 145 2HG GLU 19 2HG GLU 19 0.131 -3.541 -10.208 146 H TYR 20 H TYR 20 -1.592 -2.840 -6.303 147 HA TYR 20 HA TYR 20 -0.044 -5.077 -5.712 148 1HB TYR 20 1HB TYR 20 -0.177 -3.316 -4.105 149 2HB TYR 20 2HB TYR 20 -1.928 -3.436 -4.012 150 HD1 TYR 20 HD1 TYR 20 -2.978 -5.332 -2.818 151 HD2 TYR 20 HD2 TYR 20 1.232 -4.725 -2.783 152 HE1 TYR 20 HE1 TYR 20 -2.783 -6.836 -0.882 153 HE2 TYR 20 HE2 TYR 20 1.439 -6.227 -0.847 154 HH TYR 20 HH TYR 20 0.259 -7.977 0.261 155 H GLN 21 H GLN 21 -3.543 -4.623 -5.446 156 HA GLN 21 HA GLN 21 -4.284 -7.117 -4.493 157 1HB GLN 21 1HB GLN 21 -5.857 -5.280 -4.713 158 2HB GLN 21 2HB GLN 21 -5.728 -5.352 -6.466 159 1HG GLN 21 1HG GLN 21 -7.765 -6.399 -5.590 160 2HG GLN 21 2HG GLN 21 -6.761 -7.511 -6.511 161 1HE2 GLN 21 1HE2 GLN 21 -7.961 -6.649 -3.368 162 2HE2 GLN 21 2HE2 GLN 21 -7.502 -8.109 -2.565 163 H ARG 22 H ARG 22 -4.631 -6.167 -7.896 164 HA ARG 22 HA ARG 22 -5.024 -8.600 -9.034 165 1HB ARG 22 1HB ARG 22 -5.135 -6.553 -10.323 166 2HB ARG 22 2HB ARG 22 -3.405 -6.297 -10.136 167 1HG ARG 22 1HG ARG 22 -3.719 -7.114 -12.320 168 2HG ARG 22 2HG ARG 22 -3.070 -8.462 -11.384 169 1HD ARG 22 1HD ARG 22 -5.390 -9.294 -11.078 170 2HD ARG 22 2HD ARG 22 -5.952 -8.008 -12.145 171 HE ARG 22 HE ARG 22 -4.695 -10.459 -12.918 172 1HH1 ARG 22 1HH1 ARG 22 -5.187 -7.129 -13.809 173 2HH1 ARG 22 2HH1 ARG 22 -4.949 -7.411 -15.501 174 1HH2 ARG 22 1HH2 ARG 22 -4.379 -10.843 -15.145 175 2HH2 ARG 22 2HH2 ARG 22 -4.490 -9.522 -16.261 176 H ARG 23 H ARG 23 -1.820 -7.112 -8.525 177 HA ARG 23 HA ARG 23 -0.323 -9.272 -9.516 178 1HB ARG 23 1HB ARG 23 0.218 -6.820 -7.993 179 2HB ARG 23 2HB ARG 23 1.326 -8.138 -7.630 180 1HG ARG 23 1HG ARG 23 2.320 -6.893 -9.362 181 2HG ARG 23 2HG ARG 23 1.693 -8.363 -10.111 182 1HD ARG 23 1HD ARG 23 -0.429 -6.640 -10.315 183 2HD ARG 23 2HD ARG 23 0.954 -5.570 -10.544 184 HE ARG 23 HE ARG 23 1.047 -7.985 -12.114 185 1HH1 ARG 23 1HH1 ARG 23 -0.031 -4.678 -11.964 186 2HH1 ARG 23 2HH1 ARG 23 -0.114 -4.491 -13.684 187 1HH2 ARG 23 1HH2 ARG 23 0.941 -7.749 -14.383 188 2HH2 ARG 23 2HH2 ARG 23 0.438 -6.236 -15.059 189 H VAL 24 H VAL 24 -0.684 -8.328 -6.092 190 HA VAL 24 HA VAL 24 0.377 -10.562 -4.917 191 HB VAL 24 HB VAL 24 -2.014 -9.021 -3.900 192 1HG1 VAL 24 1HG1 VAL 24 -0.852 -9.725 -1.671 193 2HG1 VAL 24 2HG1 VAL 24 -0.172 -11.015 -2.662 194 3HG1 VAL 24 3HG1 VAL 24 -1.921 -10.852 -2.507 195 1HG2 VAL 24 1HG2 VAL 24 0.594 -8.125 -4.408 196 2HG2 VAL 24 2HG2 VAL 24 0.485 -8.346 -2.661 197 3HG2 VAL 24 3HG2 VAL 24 -0.667 -7.302 -3.491 198 H ALA 25 H ALA 25 -2.795 -10.188 -6.353 199 HA ALA 25 HA ALA 25 -4.068 -12.438 -5.284 200 1HB ALA 25 1HB ALA 25 -5.598 -11.195 -6.389 201 2HB ALA 25 2HB ALA 25 -5.210 -12.302 -7.706 202 3HB ALA 25 3HB ALA 25 -4.458 -10.709 -7.644 203 H ASP 26 H ASP 26 -2.533 -12.145 -8.494 204 HA ASP 26 HA ASP 26 -2.615 -14.883 -9.097 205 1HB ASP 26 1HB ASP 26 -2.161 -12.873 -10.652 206 2HB ASP 26 2HB ASP 26 -0.484 -13.025 -10.135 207 H GLY 27 H GLY 27 -0.332 -12.966 -7.279 208 1HA GLY 27 1HA GLY 27 0.903 -14.235 -5.555 209 2HA GLY 27 2HA GLY 27 1.247 -15.419 -6.807 210 H GLU 28 H GLU 28 1.342 -12.003 -7.489 211 HA GLU 28 HA GLU 28 4.139 -12.220 -8.193 212 1HB GLU 28 1HB GLU 28 2.250 -9.864 -8.380 213 2HB GLU 28 2HB GLU 28 3.864 -9.939 -9.070 214 1HG GLU 28 1HG GLU 28 2.665 -12.167 -10.118 215 2HG GLU 28 2HG GLU 28 1.348 -10.996 -10.075 216 H ASP 29 H ASP 29 5.818 -11.010 -7.314 217 HA ASP 29 HA ASP 29 5.826 -10.655 -4.550 218 1HB ASP 29 1HB ASP 29 7.632 -9.840 -6.781 219 2HB ASP 29 2HB ASP 29 7.890 -9.113 -5.197 220 HA PRO 30 HA PRO 30 3.321 -6.871 -4.516 221 1HB PRO 30 1HB PRO 30 4.031 -6.999 -1.643 222 2HB PRO 30 2HB PRO 30 2.448 -6.854 -2.409 223 1HG PRO 30 1HG PRO 30 3.238 -9.153 -1.287 224 2HG PRO 30 2HG PRO 30 2.253 -9.129 -2.761 225 1HD PRO 30 1HD PRO 30 5.173 -9.658 -2.440 226 2HD PRO 30 2HD PRO 30 4.006 -10.395 -3.557 227 H LYS 31 H LYS 31 6.360 -7.319 -2.741 228 HA LYS 31 HA LYS 31 7.055 -4.697 -2.253 229 1HB LYS 31 1HB LYS 31 8.385 -7.230 -2.311 230 2HB LYS 31 2HB LYS 31 9.413 -6.026 -3.073 231 1HG LYS 31 1HG LYS 31 9.677 -4.823 -1.145 232 2HG LYS 31 2HG LYS 31 8.135 -5.360 -0.473 233 1HD LYS 31 1HD LYS 31 9.779 -6.443 0.813 234 2HD LYS 31 2HD LYS 31 9.190 -7.670 -0.312 235 1HE LYS 31 1HE LYS 31 11.112 -7.158 -1.795 236 2HE LYS 31 2HE LYS 31 11.723 -6.056 -0.561 237 1HZ LYS 31 1HZ LYS 31 12.689 -7.768 0.423 238 2HZ LYS 31 2HZ LYS 31 12.076 -8.829 -0.742 239 3HZ LYS 31 3HZ LYS 31 11.188 -8.509 0.662 240 H ASP 32 H ASP 32 7.393 -6.570 -5.219 241 HA ASP 32 HA ASP 32 8.772 -4.588 -6.716 242 1HB ASP 32 1HB ASP 32 7.946 -7.202 -7.173 243 2HB ASP 32 2HB ASP 32 6.941 -6.255 -8.271 244 H VAL 33 H VAL 33 5.368 -5.452 -6.304 245 HA VAL 33 HA VAL 33 4.216 -3.602 -8.029 246 HB VAL 33 HB VAL 33 3.107 -4.497 -5.362 247 1HG1 VAL 33 1HG1 VAL 33 2.141 -2.510 -6.912 248 2HG1 VAL 33 2HG1 VAL 33 1.137 -3.548 -5.900 249 3HG1 VAL 33 3HG1 VAL 33 1.315 -3.900 -7.619 250 1HG2 VAL 33 1HG2 VAL 33 1.808 -6.063 -7.010 251 2HG2 VAL 33 2HG2 VAL 33 3.412 -6.506 -6.421 252 3HG2 VAL 33 3HG2 VAL 33 3.224 -5.809 -8.031 253 H LEU 34 H LEU 34 5.178 -3.274 -4.631 254 HA LEU 34 HA LEU 34 4.252 -0.747 -4.064 255 1HB LEU 34 1HB LEU 34 6.664 -2.269 -3.194 256 2HB LEU 34 2HB LEU 34 6.493 -0.597 -2.716 257 HG LEU 34 HG LEU 34 5.680 -2.350 -1.056 258 1HD1 LEU 34 1HD1 LEU 34 4.965 0.203 -1.439 259 2HD1 LEU 34 2HD1 LEU 34 4.313 -0.804 -0.145 260 3HD1 LEU 34 3HD1 LEU 34 3.395 -0.576 -1.634 261 1HD2 LEU 34 1HD2 LEU 34 3.637 -2.659 -3.222 262 2HD2 LEU 34 2HD2 LEU 34 3.224 -2.944 -1.535 263 3HD2 LEU 34 3HD2 LEU 34 4.489 -3.901 -2.304 264 H ASP 35 H ASP 35 7.242 -1.640 -5.730 265 HA ASP 35 HA ASP 35 8.277 0.933 -6.053 266 1HB ASP 35 1HB ASP 35 9.236 -1.469 -6.664 267 2HB ASP 35 2HB ASP 35 8.601 -1.060 -8.255 268 H ASP 36 H ASP 36 5.770 -0.811 -7.707 269 HA ASP 36 HA ASP 36 5.505 1.163 -9.818 270 1HB ASP 36 1HB ASP 36 4.200 -1.450 -9.156 271 2HB ASP 36 2HB ASP 36 3.389 -0.344 -10.260 272 H LEU 37 H LEU 37 3.757 0.113 -6.933 273 HA LEU 37 HA LEU 37 1.419 1.524 -7.092 274 1HB LEU 37 1HB LEU 37 3.197 0.762 -4.823 275 2HB LEU 37 2HB LEU 37 1.845 1.827 -4.503 276 HG LEU 37 HG LEU 37 1.111 -0.565 -6.032 277 1HD1 LEU 37 1HD1 LEU 37 2.431 -0.784 -3.359 278 2HD1 LEU 37 2HD1 LEU 37 2.595 -1.818 -4.778 279 3HD1 LEU 37 3HD1 LEU 37 1.127 -1.888 -3.803 280 1HD2 LEU 37 1HD2 LEU 37 -0.858 -0.174 -5.067 281 2HD2 LEU 37 2HD2 LEU 37 -0.150 1.339 -4.497 282 3HD2 LEU 37 3HD2 LEU 37 -0.146 -0.085 -3.455 283 H GLY 38 H GLY 38 4.509 2.713 -5.795 284 1HA GLY 38 1HA GLY 38 5.345 4.878 -6.261 285 2HA GLY 38 2HA GLY 38 3.705 5.426 -6.562 286 H LEU 39 H LEU 39 5.273 3.783 -3.819 287 HA LEU 39 HA LEU 39 4.278 5.952 -2.091 288 1HB LEU 39 1HB LEU 39 4.942 3.299 -0.927 289 2HB LEU 39 2HB LEU 39 3.706 4.453 -0.460 290 HG LEU 39 HG LEU 39 2.563 3.766 -2.687 291 1HD1 LEU 39 1HD1 LEU 39 3.182 1.133 -2.780 292 2HD1 LEU 39 2HD1 LEU 39 4.766 1.842 -2.469 293 3HD1 LEU 39 3HD1 LEU 39 3.832 2.350 -3.877 294 1HD2 LEU 39 1HD2 LEU 39 1.148 2.530 -1.454 295 2HD2 LEU 39 2HD2 LEU 39 2.140 3.115 -0.119 296 3HD2 LEU 39 3HD2 LEU 39 2.433 1.515 -0.800 297 H LYS 40 H LYS 40 6.049 7.249 -2.096 298 HA LYS 40 HA LYS 40 8.674 6.741 -2.238 299 1HB LYS 40 1HB LYS 40 7.197 8.793 -0.627 300 2HB LYS 40 2HB LYS 40 8.952 8.734 -0.588 301 1HG LYS 40 1HG LYS 40 7.851 8.675 -3.286 302 2HG LYS 40 2HG LYS 40 7.447 10.134 -2.380 303 1HD LYS 40 1HD LYS 40 10.238 9.310 -2.105 304 2HD LYS 40 2HD LYS 40 9.775 9.723 -3.757 305 1HE LYS 40 1HE LYS 40 10.403 11.781 -2.967 306 2HE LYS 40 2HE LYS 40 8.679 11.803 -2.603 307 1HZ LYS 40 1HZ LYS 40 10.711 12.233 -0.830 308 2HZ LYS 40 2HZ LYS 40 10.207 10.658 -0.480 309 3HZ LYS 40 3HZ LYS 40 9.094 11.931 -0.440 310 H ARG 41 H ARG 41 7.789 7.639 1.054 311 HA ARG 41 HA ARG 41 9.865 6.219 2.223 312 1HB ARG 41 1HB ARG 41 7.301 7.344 3.297 313 2HB ARG 41 2HB ARG 41 8.376 6.428 4.344 314 1HG ARG 41 1HG ARG 41 9.853 8.406 2.871 315 2HG ARG 41 2HG ARG 41 8.506 9.146 3.737 316 1HD ARG 41 1HD ARG 41 10.210 9.196 5.306 317 2HD ARG 41 2HD ARG 41 9.319 7.739 5.742 318 HE ARG 41 HE ARG 41 11.138 6.474 5.138 319 1HH1 ARG 41 1HH1 ARG 41 11.561 9.741 4.011 320 2HH1 ARG 41 2HH1 ARG 41 13.217 9.509 3.560 321 1HH2 ARG 41 1HH2 ARG 41 13.319 6.157 4.547 322 2HH2 ARG 41 2HH2 ARG 41 14.216 7.471 3.864 323 H TYR 42 H TYR 42 9.962 4.312 3.439 324 HA TYR 42 HA TYR 42 8.279 2.196 2.425 325 1HB TYR 42 1HB TYR 42 10.812 2.055 2.844 326 2HB TYR 42 2HB TYR 42 10.395 1.891 4.547 327 HD1 TYR 42 HD1 TYR 42 8.817 -0.027 5.198 328 HD2 TYR 42 HD2 TYR 42 10.814 0.181 1.445 329 HE1 TYR 42 HE1 TYR 42 8.476 -2.442 4.888 330 HE2 TYR 42 HE2 TYR 42 10.477 -2.233 1.125 331 HH TYR 42 HH TYR 42 9.891 -4.321 3.354 332 H CYS 43 H CYS 43 8.460 4.172 5.248 333 HA CYS 43 HA CYS 43 7.373 2.643 7.246 334 1HB CYS 43 1HB CYS 43 6.427 4.706 8.163 335 2HB CYS 43 2HB CYS 43 8.045 4.997 7.530 336 H CYS 44 H CYS 44 5.856 3.808 4.357 337 HA CYS 44 HA CYS 44 3.172 3.168 5.228 338 1HB CYS 44 1HB CYS 44 3.792 3.575 2.343 339 2HB CYS 44 2HB CYS 44 2.431 4.163 3.292 340 H ARG 45 H ARG 45 5.365 1.962 2.692 341 HA ARG 45 HA ARG 45 3.944 -0.216 1.831 342 1HB ARG 45 1HB ARG 45 6.908 -0.425 2.283 343 2HB ARG 45 2HB ARG 45 5.948 -1.123 0.990 344 1HG ARG 45 1HG ARG 45 5.541 1.182 0.138 345 2HG ARG 45 2HG ARG 45 6.690 1.769 1.344 346 1HD ARG 45 1HD ARG 45 8.298 0.028 0.337 347 2HD ARG 45 2HD ARG 45 7.189 0.023 -1.031 348 HE ARG 45 HE ARG 45 7.729 2.661 -0.615 349 1HH1 ARG 45 1HH1 ARG 45 9.658 -0.184 -1.170 350 2HH1 ARG 45 2HH1 ARG 45 10.932 0.677 -1.968 351 1HH2 ARG 45 1HH2 ARG 45 9.400 3.806 -1.663 352 2HH2 ARG 45 2HH2 ARG 45 10.785 2.946 -2.249 353 H ARG 46 H ARG 46 6.466 -0.342 4.354 354 HA ARG 46 HA ARG 46 6.402 -2.869 5.211 355 1HB ARG 46 1HB ARG 46 6.781 -2.007 7.536 356 2HB ARG 46 2HB ARG 46 7.794 -1.264 6.304 357 1HG ARG 46 1HG ARG 46 7.132 0.716 7.025 358 2HG ARG 46 2HG ARG 46 5.501 0.334 6.467 359 1HD ARG 46 1HD ARG 46 5.361 0.964 8.763 360 2HD ARG 46 2HD ARG 46 5.085 -0.774 8.657 361 HE ARG 46 HE ARG 46 7.811 -0.307 9.142 362 1HH1 ARG 46 1HH1 ARG 46 4.717 -0.045 10.719 363 2HH1 ARG 46 2HH1 ARG 46 5.361 -0.277 12.310 364 1HH2 ARG 46 1HH2 ARG 46 8.672 -0.614 11.234 365 2HH2 ARG 46 2HH2 ARG 46 7.610 -0.600 12.604 366 H MET 47 H MET 47 3.838 -0.550 5.736 367 HA MET 47 HA MET 47 2.313 -2.354 7.424 368 1HB MET 47 1HB MET 47 2.092 0.460 6.491 369 2HB MET 47 2HB MET 47 0.591 -0.379 6.829 370 1HG MET 47 1HG MET 47 1.029 -0.560 9.077 371 2HG MET 47 2HG MET 47 2.773 -0.439 8.853 372 1HE MET 47 1HE MET 47 -0.287 1.630 7.661 373 2HE MET 47 2HE MET 47 1.051 2.265 6.701 374 3HE MET 47 3HE MET 47 0.267 3.286 7.907 375 H LEU 48 H LEU 48 2.110 -0.842 4.253 376 HA LEU 48 HA LEU 48 -0.328 -1.962 3.509 377 1HB LEU 48 1HB LEU 48 1.886 -1.083 1.664 378 2HB LEU 48 2HB LEU 48 0.176 -1.183 1.280 379 HG LEU 48 HG LEU 48 1.054 0.596 3.504 380 1HD1 LEU 48 1HD1 LEU 48 0.883 1.994 0.984 381 2HD1 LEU 48 2HD1 LEU 48 2.202 0.823 0.994 382 3HD1 LEU 48 3HD1 LEU 48 2.123 2.074 2.236 383 1HD2 LEU 48 1HD2 LEU 48 -0.839 1.938 2.263 384 2HD2 LEU 48 2HD2 LEU 48 -1.219 0.635 3.389 385 3HD2 LEU 48 3HD2 LEU 48 -1.248 0.335 1.653 386 H ILE 49 H ILE 49 2.894 -2.811 2.200 387 HA ILE 49 HA ILE 49 2.252 -4.942 0.661 388 HB ILE 49 HB ILE 49 4.484 -6.010 1.555 389 1HG1 ILE 49 1HG1 ILE 49 5.228 -3.238 2.262 390 2HG1 ILE 49 2HG1 ILE 49 4.248 -4.092 3.456 391 1HG2 ILE 49 1HG2 ILE 49 5.713 -4.629 0.014 392 2HG2 ILE 49 2HG2 ILE 49 4.477 -3.373 0.098 393 3HG2 ILE 49 3HG2 ILE 49 4.101 -4.934 -0.632 394 1HD1 ILE 49 1HD1 ILE 49 6.301 -4.691 4.185 395 2HD1 ILE 49 2HD1 ILE 49 7.026 -4.585 2.581 396 3HD1 ILE 49 3HD1 ILE 49 6.046 -5.986 3.015 397 H SER 50 H SER 50 2.240 -4.897 4.147 398 HA SER 50 HA SER 50 1.910 -7.772 4.336 399 1HB SER 50 1HB SER 50 2.282 -5.529 6.256 400 2HB SER 50 2HB SER 50 1.424 -6.954 6.842 401 HG SER 50 HG SER 50 3.314 -8.124 5.854 402 H HIS 51 H HIS 51 0.015 -5.257 5.967 403 HA HIS 51 HA HIS 51 -2.373 -6.865 5.638 404 1HB HIS 51 1HB HIS 51 -1.672 -5.703 7.795 405 2HB HIS 51 2HB HIS 51 -2.172 -4.198 7.030 406 HD2 HIS 51 HD2 HIS 51 -5.009 -4.428 6.089 407 HE1 HIS 51 HE1 HIS 51 -5.888 -6.836 9.458 408 HE2 HIS 51 HE2 HIS 51 -6.873 -5.427 7.593 409 H VAL 52 H VAL 52 -1.595 -3.427 5.082 410 HA VAL 52 HA VAL 52 -2.655 -1.837 3.843 411 HB VAL 52 HB VAL 52 -1.307 -2.781 2.091 412 1HG1 VAL 52 1HG1 VAL 52 -2.046 -4.535 0.615 413 2HG1 VAL 52 2HG1 VAL 52 -3.554 -4.697 1.510 414 3HG1 VAL 52 3HG1 VAL 52 -2.024 -5.119 2.276 415 1HG2 VAL 52 1HG2 VAL 52 -2.437 -1.913 0.249 416 2HG2 VAL 52 2HG2 VAL 52 -3.155 -1.080 1.629 417 3HG2 VAL 52 3HG2 VAL 52 -4.012 -2.419 0.862 418 H GLU 53 H GLU 53 -4.594 -1.450 4.802 419 HA GLU 53 HA GLU 53 -6.835 -3.113 4.767 420 1HB GLU 53 1HB GLU 53 -6.377 -1.009 6.180 421 2HB GLU 53 2HB GLU 53 -7.029 -0.111 4.816 422 1HG GLU 53 1HG GLU 53 -9.015 -1.822 5.087 423 2HG GLU 53 2HG GLU 53 -8.396 -1.912 6.735 424 H THR 54 H THR 54 -8.011 -3.780 3.114 425 HA THR 54 HA THR 54 -8.248 -2.043 0.744 426 HB THR 54 HB THR 54 -8.797 -4.134 -0.509 427 HG1 THR 54 HG1 THR 54 -8.262 -6.121 0.558 428 1HG2 THR 54 1HG2 THR 54 -6.168 -4.751 0.670 429 2HG2 THR 54 2HG2 THR 54 -6.368 -3.105 0.068 430 3HG2 THR 54 3HG2 THR 54 -6.622 -4.476 -1.012 431 H TRP 55 H TRP 55 -9.957 -3.830 3.178 432 HA TRP 55 HA TRP 55 -12.527 -3.263 1.881 433 1HB TRP 55 1HB TRP 55 -12.078 -4.966 4.334 434 2HB TRP 55 2HB TRP 55 -13.491 -4.935 3.284 435 HD1 TRP 55 HD1 TRP 55 -11.510 -5.033 0.578 436 HE1 TRP 55 HE1 TRP 55 -10.622 -7.354 -0.095 437 HE3 TRP 55 HE3 TRP 55 -12.179 -7.482 5.019 438 HZ2 TRP 55 HZ2 TRP 55 -10.254 -9.884 1.096 439 HZ3 TRP 55 HZ3 TRP 55 -11.532 -9.852 5.166 440 HH2 TRP 55 HH2 TRP 55 -10.591 -11.027 3.245 Start of MODEL 17 1 H MET 1 H MET 1 -6.803 7.466 -0.292 2 HA MET 1 HA MET 1 -6.010 5.264 1.169 3 1HB MET 1 1HB MET 1 -3.998 6.633 1.785 4 2HB MET 1 2HB MET 1 -4.368 6.615 0.065 5 1HG MET 1 1HG MET 1 -4.009 8.826 0.293 6 2HG MET 1 2HG MET 1 -5.713 8.807 0.741 7 1HE MET 1 1HE MET 1 -2.113 9.054 3.526 8 2HE MET 1 2HE MET 1 -2.261 8.140 2.026 9 3HE MET 1 3HE MET 1 -2.916 7.485 3.525 10 H ILE 2 H ILE 2 -5.371 4.993 3.372 11 HA ILE 2 HA ILE 2 -7.294 5.999 5.215 12 HB ILE 2 HB ILE 2 -4.841 4.289 5.537 13 1HG1 ILE 2 1HG1 ILE 2 -6.446 2.538 6.025 14 2HG1 ILE 2 2HG1 ILE 2 -7.769 3.698 5.988 15 1HG2 ILE 2 1HG2 ILE 2 -6.342 4.074 7.891 16 2HG2 ILE 2 2HG2 ILE 2 -6.127 5.800 7.614 17 3HG2 ILE 2 3HG2 ILE 2 -4.720 4.742 7.707 18 1HD1 ILE 2 1HD1 ILE 2 -7.527 2.260 3.955 19 2HD1 ILE 2 2HD1 ILE 2 -6.029 3.125 3.612 20 3HD1 ILE 2 3HD1 ILE 2 -7.561 3.996 3.653 21 HA PRO 3 HA PRO 3 -5.073 9.719 6.352 22 1HB PRO 3 1HB PRO 3 -6.564 10.469 8.429 23 2HB PRO 3 2HB PRO 3 -7.247 10.485 6.796 24 1HG PRO 3 1HG PRO 3 -7.469 8.352 8.913 25 2HG PRO 3 2HG PRO 3 -8.780 9.135 7.996 26 1HD PRO 3 1HD PRO 3 -7.774 6.747 7.255 27 2HD PRO 3 2HD PRO 3 -8.294 7.947 6.053 28 H VAL 4 H VAL 4 -4.247 10.640 8.577 29 HA VAL 4 HA VAL 4 -2.935 10.374 10.421 30 HB VAL 4 HB VAL 4 -4.908 8.157 10.601 31 1HG1 VAL 4 1HG1 VAL 4 -2.334 8.128 12.132 32 2HG1 VAL 4 2HG1 VAL 4 -3.231 6.784 11.418 33 3HG1 VAL 4 3HG1 VAL 4 -3.822 7.560 12.891 34 1HG2 VAL 4 1HG2 VAL 4 -4.312 9.749 12.965 35 2HG2 VAL 4 2HG2 VAL 4 -5.839 9.488 12.122 36 3HG2 VAL 4 3HG2 VAL 4 -4.714 10.718 11.547 37 H ARG 5 H ARG 5 -3.196 6.971 9.500 38 HA ARG 5 HA ARG 5 -0.535 6.319 9.873 39 1HB ARG 5 1HB ARG 5 -2.889 5.051 9.008 40 2HB ARG 5 2HB ARG 5 -1.688 4.734 7.757 41 1HG ARG 5 1HG ARG 5 -1.389 2.954 9.190 42 2HG ARG 5 2HG ARG 5 -0.168 4.089 9.768 43 1HD ARG 5 1HD ARG 5 -1.103 4.128 11.780 44 2HD ARG 5 2HD ARG 5 -2.642 4.630 11.083 45 HE ARG 5 HE ARG 5 -3.395 2.466 11.243 46 1HH1 ARG 5 1HH1 ARG 5 0.040 2.551 11.803 47 2HH1 ARG 5 2HH1 ARG 5 0.123 0.909 12.347 48 1HH2 ARG 5 1HH2 ARG 5 -3.297 0.302 11.958 49 2HH2 ARG 5 2HH2 ARG 5 -1.774 -0.370 12.435 50 H CYS 6 H CYS 6 0.571 5.136 7.779 51 HA CYS 6 HA CYS 6 1.029 7.328 5.869 52 1HB CYS 6 1HB CYS 6 2.843 5.751 7.466 53 2HB CYS 6 2HB CYS 6 3.209 5.559 5.755 54 H LEU 7 H LEU 7 -0.265 6.822 4.209 55 HA LEU 7 HA LEU 7 0.315 4.325 2.794 56 1HB LEU 7 1HB LEU 7 -2.428 5.544 3.070 57 2HB LEU 7 2HB LEU 7 -2.032 4.088 2.182 58 HG LEU 7 HG LEU 7 -2.968 3.219 4.089 59 1HD1 LEU 7 1HD1 LEU 7 -1.341 1.948 4.912 60 2HD1 LEU 7 2HD1 LEU 7 -0.465 3.331 5.560 61 3HD1 LEU 7 3HD1 LEU 7 -0.255 2.867 3.873 62 1HD2 LEU 7 1HD2 LEU 7 -3.266 5.428 5.142 63 2HD2 LEU 7 2HD2 LEU 7 -1.613 5.333 5.750 64 3HD2 LEU 7 3HD2 LEU 7 -2.820 4.165 6.289 65 H SER 8 H SER 8 1.450 6.862 2.393 66 HA SER 8 HA SER 8 1.036 7.214 -0.370 67 1HB SER 8 1HB SER 8 -0.436 9.053 1.471 68 2HB SER 8 2HB SER 8 0.267 9.724 -0.001 69 HG SER 8 HG SER 8 -1.988 8.817 -0.045 70 H CYS 9 H CYS 9 1.728 9.476 2.301 71 HA CYS 9 HA CYS 9 3.612 10.619 2.874 72 1HB CYS 9 1HB CYS 9 4.586 8.154 1.749 73 2HB CYS 9 2HB CYS 9 5.667 9.473 1.311 74 H GLY 10 H GLY 10 2.001 11.138 0.366 75 1HA GLY 10 1HA GLY 10 2.523 13.414 -0.609 76 2HA GLY 10 2HA GLY 10 4.036 12.680 -1.117 77 H LYS 11 H LYS 11 2.400 10.121 -1.598 78 HA LYS 11 HA LYS 11 1.121 10.969 -4.106 79 1HB LYS 11 1HB LYS 11 3.492 9.383 -3.791 80 2HB LYS 11 2HB LYS 11 2.230 8.404 -4.531 81 1HG LYS 11 1HG LYS 11 3.696 9.588 -6.149 82 2HG LYS 11 2HG LYS 11 1.983 9.980 -6.318 83 1HD LYS 11 1HD LYS 11 2.255 12.059 -5.234 84 2HD LYS 11 2HD LYS 11 3.884 11.644 -4.706 85 1HE LYS 11 1HE LYS 11 4.067 11.369 -7.419 86 2HE LYS 11 2HE LYS 11 2.942 12.717 -7.260 87 1HZ LYS 11 1HZ LYS 11 5.275 13.426 -7.372 88 2HZ LYS 11 2HZ LYS 11 5.601 12.575 -5.946 89 3HZ LYS 11 3HZ LYS 11 4.536 13.889 -5.922 90 HA PRO 12 HA PRO 12 -2.268 8.470 -2.820 91 1HB PRO 12 1HB PRO 12 -3.391 7.902 -5.222 92 2HB PRO 12 2HB PRO 12 -3.484 9.501 -4.474 93 1HG PRO 12 1HG PRO 12 -1.637 8.514 -6.618 94 2HG PRO 12 2HG PRO 12 -2.510 10.055 -6.516 95 1HD PRO 12 1HD PRO 12 0.111 9.822 -5.874 96 2HD PRO 12 2HD PRO 12 -0.968 10.976 -5.067 97 H VAL 13 H VAL 13 -2.521 6.383 -2.286 98 HA VAL 13 HA VAL 13 -1.050 4.376 -3.861 99 HB VAL 13 HB VAL 13 -0.717 3.078 -1.900 100 1HG1 VAL 13 1HG1 VAL 13 0.331 4.800 -0.316 101 2HG1 VAL 13 2HG1 VAL 13 -0.203 6.005 -1.489 102 3HG1 VAL 13 3HG1 VAL 13 0.925 4.739 -1.977 103 1HG2 VAL 13 1HG2 VAL 13 -2.537 5.001 -0.455 104 2HG2 VAL 13 2HG2 VAL 13 -1.622 3.696 0.301 105 3HG2 VAL 13 3HG2 VAL 13 -2.897 3.325 -0.859 106 H SER 14 H SER 14 -4.080 5.119 -2.252 107 HA SER 14 HA SER 14 -5.438 2.757 -2.330 108 1HB SER 14 1HB SER 14 -6.768 5.310 -3.221 109 2HB SER 14 2HB SER 14 -7.441 3.998 -2.248 110 HG SER 14 HG SER 14 -5.696 4.656 -0.694 111 H ALA 15 H ALA 15 -5.244 5.091 -5.020 112 HA ALA 15 HA ALA 15 -6.756 3.564 -6.837 113 1HB ALA 15 1HB ALA 15 -5.568 4.983 -8.574 114 2HB ALA 15 2HB ALA 15 -4.718 5.738 -7.227 115 3HB ALA 15 3HB ALA 15 -6.476 5.848 -7.335 116 H TYR 16 H TYR 16 -3.432 3.403 -5.850 117 HA TYR 16 HA TYR 16 -2.642 1.729 -8.070 118 1HB TYR 16 1HB TYR 16 -1.288 2.953 -5.706 119 2HB TYR 16 2HB TYR 16 -0.509 1.623 -6.550 120 HD1 TYR 16 HD1 TYR 16 -1.494 5.127 -6.737 121 HD2 TYR 16 HD2 TYR 16 0.241 1.881 -8.868 122 HE1 TYR 16 HE1 TYR 16 -0.638 6.701 -8.422 123 HE2 TYR 16 HE2 TYR 16 1.103 3.444 -10.560 124 HH TYR 16 HH TYR 16 0.078 6.233 -11.180 125 H PHE 17 H PHE 17 -3.883 1.320 -4.886 126 HA PHE 17 HA PHE 17 -2.862 -1.075 -4.020 127 1HB PHE 17 1HB PHE 17 -5.564 0.180 -3.808 128 2HB PHE 17 2HB PHE 17 -5.387 -1.493 -3.301 129 HD1 PHE 17 HD1 PHE 17 -2.489 0.631 -2.869 130 HD2 PHE 17 HD2 PHE 17 -6.097 -0.718 -1.055 131 HE1 PHE 17 HE1 PHE 17 -1.667 1.385 -0.674 132 HE2 PHE 17 HE2 PHE 17 -5.278 0.034 1.140 133 HZ PHE 17 HZ PHE 17 -3.062 1.086 1.330 134 H ASN 18 H ASN 18 -4.948 -0.467 -6.726 135 HA ASN 18 HA ASN 18 -5.952 -3.017 -7.233 136 1HB ASN 18 1HB ASN 18 -6.062 -0.576 -8.501 137 2HB ASN 18 2HB ASN 18 -5.116 -1.540 -9.631 138 1HD2 ASN 18 1HD2 ASN 18 -7.437 -0.672 -10.529 139 2HD2 ASN 18 2HD2 ASN 18 -8.616 -1.941 -10.591 140 H GLU 19 H GLU 19 -2.823 -1.563 -8.011 141 HA GLU 19 HA GLU 19 -1.813 -3.642 -9.606 142 1HB GLU 19 1HB GLU 19 -0.571 -1.493 -7.907 143 2HB GLU 19 2HB GLU 19 0.420 -2.705 -8.674 144 1HG GLU 19 1HG GLU 19 0.372 -0.740 -10.033 145 2HG GLU 19 2HG GLU 19 -0.455 -2.060 -10.859 146 H TYR 20 H TYR 20 -1.360 -2.888 -6.171 147 HA TYR 20 HA TYR 20 0.085 -5.165 -5.460 148 1HB TYR 20 1HB TYR 20 -0.129 -3.310 -3.932 149 2HB TYR 20 2HB TYR 20 -1.873 -3.508 -3.857 150 HD1 TYR 20 HD1 TYR 20 -2.856 -5.395 -2.614 151 HD2 TYR 20 HD2 TYR 20 1.338 -4.683 -2.627 152 HE1 TYR 20 HE1 TYR 20 -2.606 -6.873 -0.666 153 HE2 TYR 20 HE2 TYR 20 1.600 -6.162 -0.679 154 HH TYR 20 HH TYR 20 -0.351 -8.349 0.249 155 H GLN 21 H GLN 21 -3.416 -4.601 -5.453 156 HA GLN 21 HA GLN 21 -4.151 -7.155 -4.515 157 1HB GLN 21 1HB GLN 21 -5.734 -5.331 -4.456 158 2HB GLN 21 2HB GLN 21 -5.670 -5.165 -6.206 159 1HG GLN 21 1HG GLN 21 -7.019 -6.955 -6.569 160 2HG GLN 21 2HG GLN 21 -6.483 -7.794 -5.113 161 1HE2 GLN 21 1HE2 GLN 21 -7.228 -6.885 -3.047 162 2HE2 GLN 21 2HE2 GLN 21 -8.815 -6.207 -2.976 163 H ARG 22 H ARG 22 -4.096 -5.848 -7.828 164 HA ARG 22 HA ARG 22 -4.838 -8.163 -9.172 165 1HB ARG 22 1HB ARG 22 -4.738 -6.035 -10.312 166 2HB ARG 22 2HB ARG 22 -3.004 -5.921 -10.038 167 1HG ARG 22 1HG ARG 22 -2.687 -7.912 -11.468 168 2HG ARG 22 2HG ARG 22 -4.419 -7.906 -11.805 169 1HD ARG 22 1HD ARG 22 -3.733 -5.328 -12.363 170 2HD ARG 22 2HD ARG 22 -2.286 -6.200 -12.864 171 HE ARG 22 HE ARG 22 -4.725 -6.101 -14.253 172 1HH1 ARG 22 1HH1 ARG 22 -2.256 -8.371 -13.317 173 2HH1 ARG 22 2HH1 ARG 22 -2.520 -9.416 -14.671 174 1HH2 ARG 22 1HH2 ARG 22 -5.083 -7.471 -16.040 175 2HH2 ARG 22 2HH2 ARG 22 -4.128 -8.905 -16.220 176 H ARG 23 H ARG 23 -1.563 -6.989 -8.423 177 HA ARG 23 HA ARG 23 -0.245 -9.247 -9.506 178 1HB ARG 23 1HB ARG 23 0.504 -6.862 -7.963 179 2HB ARG 23 2HB ARG 23 1.539 -8.260 -7.692 180 1HG ARG 23 1HG ARG 23 2.308 -6.714 -9.494 181 2HG ARG 23 2HG ARG 23 2.102 -8.390 -9.999 182 1HD ARG 23 1HD ARG 23 0.565 -7.831 -11.512 183 2HD ARG 23 2HD ARG 23 -0.333 -6.870 -10.338 184 HE ARG 23 HE ARG 23 0.546 -5.020 -11.321 185 1HH1 ARG 23 1HH1 ARG 23 2.720 -7.682 -11.879 186 2HH1 ARG 23 2HH1 ARG 23 3.820 -6.753 -12.842 187 1HH2 ARG 23 1HH2 ARG 23 1.988 -3.785 -12.587 188 2HH2 ARG 23 2HH2 ARG 23 3.403 -4.537 -13.244 189 H VAL 24 H VAL 24 -0.519 -8.290 -6.064 190 HA VAL 24 HA VAL 24 0.363 -10.607 -4.897 191 HB VAL 24 HB VAL 24 -1.912 -8.875 -3.911 192 1HG1 VAL 24 1HG1 VAL 24 -0.825 -11.306 -2.871 193 2HG1 VAL 24 2HG1 VAL 24 -2.113 -10.295 -2.216 194 3HG1 VAL 24 3HG1 VAL 24 -0.434 -9.978 -1.777 195 1HG2 VAL 24 1HG2 VAL 24 0.581 -8.514 -2.543 196 2HG2 VAL 24 2HG2 VAL 24 -0.402 -7.329 -3.396 197 3HG2 VAL 24 3HG2 VAL 24 0.805 -8.267 -4.275 198 H ALA 25 H ALA 25 -2.755 -9.986 -6.365 199 HA ALA 25 HA ALA 25 -4.243 -12.115 -5.381 200 1HB ALA 25 1HB ALA 25 -4.327 -10.460 -7.835 201 2HB ALA 25 2HB ALA 25 -5.568 -10.748 -6.614 202 3HB ALA 25 3HB ALA 25 -5.243 -11.968 -7.844 203 H ASP 26 H ASP 26 -2.460 -12.035 -8.475 204 HA ASP 26 HA ASP 26 -2.704 -14.821 -8.928 205 1HB ASP 26 1HB ASP 26 -2.260 -13.093 -10.697 206 2HB ASP 26 2HB ASP 26 -0.618 -12.959 -10.076 207 H GLY 27 H GLY 27 -0.291 -12.825 -7.345 208 1HA GLY 27 1HA GLY 27 0.842 -14.037 -5.479 209 2HA GLY 27 2HA GLY 27 1.191 -15.288 -6.660 210 H GLU 28 H GLU 28 1.401 -11.905 -7.522 211 HA GLU 28 HA GLU 28 4.201 -12.247 -8.118 212 1HB GLU 28 1HB GLU 28 2.319 -9.915 -8.525 213 2HB GLU 28 2HB GLU 28 4.016 -9.896 -8.979 214 1HG GLU 28 1HG GLU 28 3.634 -10.982 -10.859 215 2HG GLU 28 2HG GLU 28 2.706 -12.225 -10.030 216 H ASP 29 H ASP 29 5.890 -10.983 -7.289 217 HA ASP 29 HA ASP 29 5.900 -10.604 -4.535 218 1HB ASP 29 1HB ASP 29 7.965 -9.104 -5.091 219 2HB ASP 29 2HB ASP 29 8.026 -10.830 -5.435 220 HA PRO 30 HA PRO 30 3.363 -6.860 -4.475 221 1HB PRO 30 1HB PRO 30 4.129 -6.934 -1.617 222 2HB PRO 30 2HB PRO 30 2.526 -6.841 -2.352 223 1HG PRO 30 1HG PRO 30 3.386 -9.104 -1.219 224 2HG PRO 30 2HG PRO 30 2.394 -9.127 -2.690 225 1HD PRO 30 1HD PRO 30 5.338 -9.538 -2.385 226 2HD PRO 30 2HD PRO 30 4.187 -10.361 -3.458 227 H LYS 31 H LYS 31 6.431 -7.201 -2.706 228 HA LYS 31 HA LYS 31 7.075 -4.554 -2.307 229 1HB LYS 31 1HB LYS 31 8.469 -7.072 -2.348 230 2HB LYS 31 2HB LYS 31 9.466 -5.826 -3.080 231 1HG LYS 31 1HG LYS 31 9.671 -4.645 -1.134 232 2HG LYS 31 2HG LYS 31 8.128 -5.220 -0.496 233 1HD LYS 31 1HD LYS 31 9.758 -6.289 0.814 234 2HD LYS 31 2HD LYS 31 9.236 -7.513 -0.346 235 1HE LYS 31 1HE LYS 31 11.527 -7.731 -0.444 236 2HE LYS 31 2HE LYS 31 11.218 -6.615 -1.773 237 1HZ LYS 31 1HZ LYS 31 12.006 -5.771 0.961 238 2HZ LYS 31 2HZ LYS 31 11.862 -4.782 -0.404 239 3HZ LYS 31 3HZ LYS 31 13.086 -5.947 -0.328 240 H ASP 32 H ASP 32 7.315 -6.483 -5.232 241 HA ASP 32 HA ASP 32 8.693 -4.531 -6.791 242 1HB ASP 32 1HB ASP 32 7.884 -7.171 -7.164 243 2HB ASP 32 2HB ASP 32 6.907 -6.259 -8.312 244 H VAL 33 H VAL 33 5.306 -5.390 -6.258 245 HA VAL 33 HA VAL 33 4.119 -3.585 -8.036 246 HB VAL 33 HB VAL 33 3.024 -4.371 -5.333 247 1HG1 VAL 33 1HG1 VAL 33 1.119 -4.073 -7.491 248 2HG1 VAL 33 2HG1 VAL 33 2.044 -2.592 -7.247 249 3HG1 VAL 33 3HG1 VAL 33 1.148 -3.302 -5.905 250 1HG2 VAL 33 1HG2 VAL 33 3.504 -6.424 -6.363 251 2HG2 VAL 33 2HG2 VAL 33 3.037 -5.834 -7.954 252 3HG2 VAL 33 3HG2 VAL 33 1.804 -6.133 -6.731 253 H LEU 34 H LEU 34 5.154 -3.214 -4.664 254 HA LEU 34 HA LEU 34 4.262 -0.673 -4.108 255 1HB LEU 34 1HB LEU 34 6.716 -2.176 -3.303 256 2HB LEU 34 2HB LEU 34 6.538 -0.503 -2.828 257 HG LEU 34 HG LEU 34 5.812 -2.256 -1.137 258 1HD1 LEU 34 1HD1 LEU 34 5.044 0.277 -1.497 259 2HD1 LEU 34 2HD1 LEU 34 4.439 -0.736 -0.187 260 3HD1 LEU 34 3HD1 LEU 34 3.480 -0.521 -1.652 261 1HD2 LEU 34 1HD2 LEU 34 3.363 -2.914 -1.512 262 2HD2 LEU 34 2HD2 LEU 34 4.610 -3.834 -2.353 263 3HD2 LEU 34 3HD2 LEU 34 3.685 -2.604 -3.215 264 H ASP 35 H ASP 35 7.149 -1.631 -5.900 265 HA ASP 35 HA ASP 35 8.218 0.925 -6.300 266 1HB ASP 35 1HB ASP 35 9.210 -1.423 -6.850 267 2HB ASP 35 2HB ASP 35 8.399 -1.218 -8.400 268 H ASP 36 H ASP 36 5.655 -0.833 -7.884 269 HA ASP 36 HA ASP 36 5.354 1.146 -9.987 270 1HB ASP 36 1HB ASP 36 4.403 -1.561 -9.467 271 2HB ASP 36 2HB ASP 36 3.119 -0.508 -10.055 272 H LEU 37 H LEU 37 3.671 0.108 -7.062 273 HA LEU 37 HA LEU 37 1.323 1.507 -7.188 274 1HB LEU 37 1HB LEU 37 3.155 0.800 -4.932 275 2HB LEU 37 2HB LEU 37 1.780 1.834 -4.612 276 HG LEU 37 HG LEU 37 1.091 -0.609 -6.082 277 1HD1 LEU 37 1HD1 LEU 37 2.620 -1.790 -4.809 278 2HD1 LEU 37 2HD1 LEU 37 1.165 -1.871 -3.816 279 3HD1 LEU 37 3HD1 LEU 37 2.443 -0.723 -3.416 280 1HD2 LEU 37 1HD2 LEU 37 -0.873 -0.314 -5.042 281 2HD2 LEU 37 2HD2 LEU 37 -0.242 1.288 -4.658 282 3HD2 LEU 37 3HD2 LEU 37 -0.116 -0.018 -3.478 283 H GLY 38 H GLY 38 4.352 2.728 -5.740 284 1HA GLY 38 1HA GLY 38 5.154 4.917 -6.436 285 2HA GLY 38 2HA GLY 38 3.481 5.445 -6.494 286 H LEU 39 H LEU 39 5.228 3.637 -3.984 287 HA LEU 39 HA LEU 39 4.703 5.879 -2.143 288 1HB LEU 39 1HB LEU 39 4.979 3.193 -0.962 289 2HB LEU 39 2HB LEU 39 3.892 4.503 -0.538 290 HG LEU 39 HG LEU 39 2.587 3.880 -2.650 291 1HD1 LEU 39 1HD1 LEU 39 3.024 1.212 -2.843 292 2HD1 LEU 39 2HD1 LEU 39 4.665 1.813 -2.617 293 3HD1 LEU 39 3HD1 LEU 39 3.682 2.417 -3.948 294 1HD2 LEU 39 1HD2 LEU 39 2.628 1.763 -0.524 295 2HD2 LEU 39 2HD2 LEU 39 1.257 2.344 -1.468 296 3HD2 LEU 39 3HD2 LEU 39 1.987 3.381 -0.242 297 H LYS 40 H LYS 40 6.656 6.845 -2.089 298 HA LYS 40 HA LYS 40 9.137 5.649 -2.359 299 1HB LYS 40 1HB LYS 40 8.341 8.189 -0.944 300 2HB LYS 40 2HB LYS 40 10.014 7.720 -1.207 301 1HG LYS 40 1HG LYS 40 8.316 7.692 -3.604 302 2HG LYS 40 2HG LYS 40 8.586 9.280 -2.881 303 1HD LYS 40 1HD LYS 40 10.426 9.215 -4.206 304 2HD LYS 40 2HD LYS 40 11.092 8.359 -2.813 305 1HE LYS 40 1HE LYS 40 9.731 6.482 -4.466 306 2HE LYS 40 2HE LYS 40 10.812 7.439 -5.478 307 1HZ LYS 40 1HZ LYS 40 11.503 5.771 -3.136 308 2HZ LYS 40 2HZ LYS 40 12.561 6.946 -3.738 309 3HZ LYS 40 3HZ LYS 40 12.088 5.652 -4.720 310 H ARG 41 H ARG 41 8.475 7.214 0.734 311 HA ARG 41 HA ARG 41 10.215 5.763 2.246 312 1HB ARG 41 1HB ARG 41 7.609 7.070 2.989 313 2HB ARG 41 2HB ARG 41 8.624 6.294 4.197 314 1HG ARG 41 1HG ARG 41 9.799 8.341 2.371 315 2HG ARG 41 2HG ARG 41 8.838 8.844 3.764 316 1HD ARG 41 1HD ARG 41 10.308 7.632 5.256 317 2HD ARG 41 2HD ARG 41 11.231 7.014 3.889 318 HE ARG 41 HE ARG 41 11.404 9.644 5.062 319 1HH1 ARG 41 1HH1 ARG 41 12.055 7.679 2.259 320 2HH1 ARG 41 2HH1 ARG 41 13.303 8.719 1.660 321 1HH2 ARG 41 1HH2 ARG 41 13.045 11.019 4.281 322 2HH2 ARG 41 2HH2 ARG 41 13.866 10.618 2.810 323 H TYR 42 H TYR 42 10.232 3.890 3.398 324 HA TYR 42 HA TYR 42 8.423 1.829 2.545 325 1HB TYR 42 1HB TYR 42 10.995 1.726 3.188 326 2HB TYR 42 2HB TYR 42 10.346 1.406 4.792 327 HD1 TYR 42 HD1 TYR 42 11.341 -0.049 1.744 328 HD2 TYR 42 HD2 TYR 42 8.533 -0.491 4.911 329 HE1 TYR 42 HE1 TYR 42 11.048 -2.417 1.146 330 HE2 TYR 42 HE2 TYR 42 8.233 -2.859 4.321 331 HH TYR 42 HH TYR 42 9.267 -4.180 1.428 332 H CYS 43 H CYS 43 8.603 3.998 5.214 333 HA CYS 43 HA CYS 43 7.423 2.652 7.293 334 1HB CYS 43 1HB CYS 43 6.472 4.835 7.988 335 2HB CYS 43 2HB CYS 43 8.163 4.953 7.515 336 H CYS 44 H CYS 44 6.002 3.645 4.295 337 HA CYS 44 HA CYS 44 3.278 3.146 5.179 338 1HB CYS 44 1HB CYS 44 4.053 3.517 2.303 339 2HB CYS 44 2HB CYS 44 2.584 4.024 3.133 340 H ARG 45 H ARG 45 5.466 1.808 2.696 341 HA ARG 45 HA ARG 45 3.955 -0.308 1.839 342 1HB ARG 45 1HB ARG 45 6.913 -0.589 2.319 343 2HB ARG 45 2HB ARG 45 5.943 -1.318 1.047 344 1HG ARG 45 1HG ARG 45 5.531 1.042 0.214 345 2HG ARG 45 2HG ARG 45 6.823 1.537 1.311 346 1HD ARG 45 1HD ARG 45 8.355 -0.018 0.203 347 2HD ARG 45 2HD ARG 45 7.065 -0.507 -0.894 348 HE ARG 45 HE ARG 45 7.462 2.298 -0.994 349 1HH1 ARG 45 1HH1 ARG 45 8.849 -0.724 -2.029 350 2HH1 ARG 45 2HH1 ARG 45 9.622 -0.042 -3.421 351 1HH2 ARG 45 1HH2 ARG 45 8.476 3.207 -2.825 352 2HH2 ARG 45 2HH2 ARG 45 9.410 2.192 -3.873 353 H ARG 46 H ARG 46 6.401 -0.502 4.442 354 HA ARG 46 HA ARG 46 6.118 -3.070 5.249 355 1HB ARG 46 1HB ARG 46 6.695 -2.335 7.533 356 2HB ARG 46 2HB ARG 46 7.689 -1.556 6.310 357 1HG ARG 46 1HG ARG 46 7.184 0.369 7.289 358 2HG ARG 46 2HG ARG 46 5.554 0.175 6.641 359 1HD ARG 46 1HD ARG 46 4.713 -0.632 8.636 360 2HD ARG 46 2HD ARG 46 6.296 -1.157 9.208 361 HE ARG 46 HE ARG 46 6.425 1.592 9.018 362 1HH1 ARG 46 1HH1 ARG 46 4.529 -0.753 10.759 363 2HH1 ARG 46 2HH1 ARG 46 4.263 0.281 12.123 364 1HH2 ARG 46 1HH2 ARG 46 6.082 2.965 10.808 365 2HH2 ARG 46 2HH2 ARG 46 5.146 2.396 12.151 366 H MET 47 H MET 47 3.847 -0.474 5.806 367 HA MET 47 HA MET 47 2.183 -2.091 7.546 368 1HB MET 47 1HB MET 47 2.604 0.586 7.388 369 2HB MET 47 2HB MET 47 1.123 0.442 6.452 370 1HG MET 47 1HG MET 47 -0.121 -0.187 8.251 371 2HG MET 47 2HG MET 47 1.250 -0.919 9.085 372 1HE MET 47 1HE MET 47 0.067 2.796 7.855 373 2HE MET 47 2HE MET 47 1.729 2.402 7.409 374 3HE MET 47 3HE MET 47 1.411 3.623 8.641 375 H LEU 48 H LEU 48 2.330 -1.093 4.214 376 HA LEU 48 HA LEU 48 -0.353 -2.003 3.635 377 1HB LEU 48 1HB LEU 48 1.760 -1.168 1.657 378 2HB LEU 48 2HB LEU 48 0.025 -1.223 1.409 379 HG LEU 48 HG LEU 48 1.029 0.566 3.552 380 1HD1 LEU 48 1HD1 LEU 48 0.981 1.888 0.972 381 2HD1 LEU 48 2HD1 LEU 48 2.261 0.680 1.088 382 3HD1 LEU 48 3HD1 LEU 48 2.169 1.987 2.268 383 1HD2 LEU 48 1HD2 LEU 48 -1.256 0.391 1.668 384 2HD2 LEU 48 2HD2 LEU 48 -0.756 1.990 2.217 385 3HD2 LEU 48 3HD2 LEU 48 -1.233 0.763 3.391 386 H ILE 49 H ILE 49 2.822 -2.796 2.187 387 HA ILE 49 HA ILE 49 2.226 -4.928 0.683 388 HB ILE 49 HB ILE 49 4.456 -5.982 1.456 389 1HG1 ILE 49 1HG1 ILE 49 5.272 -3.352 2.466 390 2HG1 ILE 49 2HG1 ILE 49 4.172 -4.215 3.539 391 1HG2 ILE 49 1HG2 ILE 49 4.058 -4.629 -0.586 392 2HG2 ILE 49 2HG2 ILE 49 5.683 -4.453 0.077 393 3HG2 ILE 49 3HG2 ILE 49 4.483 -3.186 0.336 394 1HD1 ILE 49 1HD1 ILE 49 6.890 -5.040 2.593 395 2HD1 ILE 49 2HD1 ILE 49 5.752 -6.192 3.291 396 3HD1 ILE 49 3HD1 ILE 49 6.311 -4.818 4.244 397 H SER 50 H SER 50 2.262 -4.961 4.171 398 HA SER 50 HA SER 50 1.963 -7.833 4.308 399 1HB SER 50 1HB SER 50 2.655 -5.723 6.134 400 2HB SER 50 2HB SER 50 1.331 -6.672 6.810 401 HG SER 50 HG SER 50 2.576 -8.499 6.666 402 H HIS 51 H HIS 51 -0.005 -5.377 5.954 403 HA HIS 51 HA HIS 51 -2.344 -7.048 5.601 404 1HB HIS 51 1HB HIS 51 -1.534 -5.594 7.694 405 2HB HIS 51 2HB HIS 51 -2.547 -4.386 6.909 406 HD2 HIS 51 HD2 HIS 51 -4.957 -6.440 5.976 407 HE1 HIS 51 HE1 HIS 51 -5.224 -7.157 10.139 408 HE2 HIS 51 HE2 HIS 51 -6.419 -7.363 7.911 409 H VAL 52 H VAL 52 -1.876 -3.534 5.222 410 HA VAL 52 HA VAL 52 -3.014 -2.009 3.966 411 HB VAL 52 HB VAL 52 -1.392 -2.931 2.333 412 1HG1 VAL 52 1HG1 VAL 52 -2.305 -4.424 0.554 413 2HG1 VAL 52 2HG1 VAL 52 -3.714 -4.685 1.582 414 3HG1 VAL 52 3HG1 VAL 52 -2.116 -5.186 2.135 415 1HG2 VAL 52 1HG2 VAL 52 -3.899 -2.289 0.850 416 2HG2 VAL 52 2HG2 VAL 52 -2.250 -1.739 0.558 417 3HG2 VAL 52 3HG2 VAL 52 -3.167 -1.090 1.918 418 H GLU 53 H GLU 53 -4.711 -3.852 5.376 419 HA GLU 53 HA GLU 53 -6.946 -4.243 5.572 420 1HB GLU 53 1HB GLU 53 -6.876 -2.029 4.022 421 2HB GLU 53 2HB GLU 53 -7.658 -3.149 2.916 422 1HG GLU 53 1HG GLU 53 -9.170 -3.654 4.996 423 2HG GLU 53 2HG GLU 53 -8.615 -2.062 5.510 424 H THR 54 H THR 54 -6.439 -4.455 2.048 425 HA THR 54 HA THR 54 -6.890 -6.120 0.558 426 HB THR 54 HB THR 54 -6.342 -8.509 1.590 427 HG1 THR 54 HG1 THR 54 -6.091 -7.991 3.718 428 1HG2 THR 54 1HG2 THR 54 -3.853 -7.877 1.268 429 2HG2 THR 54 2HG2 THR 54 -4.480 -6.296 0.805 430 3HG2 THR 54 3HG2 THR 54 -4.950 -7.731 -0.105 431 H TRP 55 H TRP 55 -9.084 -6.014 0.276 432 HA TRP 55 HA TRP 55 -10.619 -8.209 1.299 433 1HB TRP 55 1HB TRP 55 -10.638 -5.996 2.912 434 2HB TRP 55 2HB TRP 55 -12.041 -5.703 1.888 435 HD1 TRP 55 HD1 TRP 55 -13.940 -7.735 1.890 436 HE1 TRP 55 HE1 TRP 55 -14.673 -9.253 3.834 437 HE3 TRP 55 HE3 TRP 55 -9.905 -7.121 4.970 438 HZ2 TRP 55 HZ2 TRP 55 -13.676 -10.080 6.341 439 HZ3 TRP 55 HZ3 TRP 55 -9.872 -8.311 7.123 440 HH2 TRP 55 HH2 TRP 55 -11.720 -9.760 7.793 Start of MODEL 18 1 H MET 1 H MET 1 -7.425 3.928 -0.741 2 HA MET 1 HA MET 1 -5.740 2.691 1.069 3 1HB MET 1 1HB MET 1 -4.569 4.763 1.237 4 2HB MET 1 2HB MET 1 -5.178 4.640 -0.404 5 1HG MET 1 1HG MET 1 -6.603 6.379 -0.163 6 2HG MET 1 2HG MET 1 -6.888 6.061 1.545 7 1HE MET 1 1HE MET 1 -3.237 6.890 2.749 8 2HE MET 1 2HE MET 1 -4.593 5.770 2.877 9 3HE MET 1 3HE MET 1 -4.713 7.383 3.578 10 H ILE 2 H ILE 2 -5.305 2.974 3.258 11 HA ILE 2 HA ILE 2 -7.637 3.327 4.903 12 HB ILE 2 HB ILE 2 -4.763 2.714 5.583 13 1HG1 ILE 2 1HG1 ILE 2 -5.732 0.463 6.120 14 2HG1 ILE 2 2HG1 ILE 2 -7.258 1.019 5.437 15 1HG2 ILE 2 1HG2 ILE 2 -7.061 2.444 7.493 16 2HG2 ILE 2 2HG2 ILE 2 -6.063 3.897 7.423 17 3HG2 ILE 2 3HG2 ILE 2 -5.332 2.346 7.827 18 1HD1 ILE 2 1HD1 ILE 2 -4.771 1.182 3.807 19 2HD1 ILE 2 2HD1 ILE 2 -6.450 1.020 3.291 20 3HD1 ILE 2 3HD1 ILE 2 -5.607 -0.361 3.991 21 HA PRO 3 HA PRO 3 -6.855 7.628 5.878 22 1HB PRO 3 1HB PRO 3 -8.439 7.930 7.983 23 2HB PRO 3 2HB PRO 3 -9.160 7.536 6.411 24 1HG PRO 3 1HG PRO 3 -8.393 5.665 8.651 25 2HG PRO 3 2HG PRO 3 -9.983 5.827 7.854 26 1HD PRO 3 1HD PRO 3 -8.229 3.936 7.081 27 2HD PRO 3 2HD PRO 3 -9.241 4.784 5.895 28 H VAL 4 H VAL 4 -5.720 8.854 7.544 29 HA VAL 4 HA VAL 4 -4.170 9.098 9.198 30 HB VAL 4 HB VAL 4 -5.973 6.932 10.237 31 1HG1 VAL 4 1HG1 VAL 4 -3.470 7.852 11.662 32 2HG1 VAL 4 2HG1 VAL 4 -3.827 6.218 11.102 33 3HG1 VAL 4 3HG1 VAL 4 -4.782 6.933 12.401 34 1HG2 VAL 4 1HG2 VAL 4 -6.021 9.678 10.281 35 2HG2 VAL 4 2HG2 VAL 4 -5.436 9.266 11.893 36 3HG2 VAL 4 3HG2 VAL 4 -6.967 8.607 11.315 37 H ARG 5 H ARG 5 -2.209 8.082 10.095 38 HA ARG 5 HA ARG 5 -0.409 6.649 10.077 39 1HB ARG 5 1HB ARG 5 -2.481 4.924 9.371 40 2HB ARG 5 2HB ARG 5 -1.299 4.722 8.086 41 1HG ARG 5 1HG ARG 5 -0.799 3.102 9.726 42 2HG ARG 5 2HG ARG 5 0.427 4.362 9.882 43 1HD ARG 5 1HD ARG 5 -1.018 5.363 11.697 44 2HD ARG 5 2HD ARG 5 -1.968 3.879 11.639 45 HE ARG 5 HE ARG 5 0.652 4.222 12.782 46 1HH1 ARG 5 1HH1 ARG 5 -1.628 1.952 11.450 47 2HH1 ARG 5 2HH1 ARG 5 -0.944 0.587 12.267 48 1HH2 ARG 5 1HH2 ARG 5 1.562 2.432 13.861 49 2HH2 ARG 5 2HH2 ARG 5 0.871 0.860 13.638 50 H CYS 6 H CYS 6 0.662 5.214 7.901 51 HA CYS 6 HA CYS 6 1.085 7.383 5.955 52 1HB CYS 6 1HB CYS 6 2.954 5.898 7.579 53 2HB CYS 6 2HB CYS 6 3.314 5.677 5.869 54 H LEU 7 H LEU 7 -0.311 6.742 4.394 55 HA LEU 7 HA LEU 7 0.421 4.292 2.965 56 1HB LEU 7 1HB LEU 7 -2.355 5.327 3.506 57 2HB LEU 7 2HB LEU 7 -2.008 4.113 2.303 58 HG LEU 7 HG LEU 7 -2.493 2.609 3.878 59 1HD1 LEU 7 1HD1 LEU 7 0.127 2.787 4.015 60 2HD1 LEU 7 2HD1 LEU 7 -0.779 1.781 5.139 61 3HD1 LEU 7 3HD1 LEU 7 -0.222 3.376 5.639 62 1HD2 LEU 7 1HD2 LEU 7 -3.646 4.332 5.133 63 2HD2 LEU 7 2HD2 LEU 7 -2.144 4.766 5.948 64 3HD2 LEU 7 3HD2 LEU 7 -2.865 3.178 6.214 65 H SER 8 H SER 8 1.424 6.835 2.532 66 HA SER 8 HA SER 8 0.894 7.190 -0.223 67 1HB SER 8 1HB SER 8 -0.432 9.061 1.705 68 2HB SER 8 2HB SER 8 0.171 9.696 0.174 69 HG SER 8 HG SER 8 -2.068 8.907 0.204 70 H CYS 9 H CYS 9 1.789 9.345 2.482 71 HA CYS 9 HA CYS 9 3.706 10.466 2.965 72 1HB CYS 9 1HB CYS 9 4.526 7.946 2.056 73 2HB CYS 9 2HB CYS 9 5.554 9.095 1.205 74 H GLY 10 H GLY 10 2.056 11.031 0.484 75 1HA GLY 10 1HA GLY 10 2.700 13.316 -0.473 76 2HA GLY 10 2HA GLY 10 4.100 12.453 -1.093 77 H LYS 11 H LYS 11 2.407 10.029 -1.535 78 HA LYS 11 HA LYS 11 0.891 10.981 -3.864 79 1HB LYS 11 1HB LYS 11 3.263 9.429 -3.877 80 2HB LYS 11 2HB LYS 11 1.946 8.369 -4.370 81 1HG LYS 11 1HG LYS 11 3.004 9.440 -6.286 82 2HG LYS 11 2HG LYS 11 1.323 9.950 -6.114 83 1HD LYS 11 1HD LYS 11 1.995 12.012 -5.100 84 2HD LYS 11 2HD LYS 11 3.681 11.505 -5.100 85 1HE LYS 11 1HE LYS 11 2.890 11.225 -7.740 86 2HE LYS 11 2HE LYS 11 2.102 12.712 -7.213 87 1HZ LYS 11 1HZ LYS 11 4.982 12.202 -6.756 88 2HZ LYS 11 2HZ LYS 11 4.155 13.675 -6.661 89 3HZ LYS 11 3HZ LYS 11 4.408 12.942 -8.165 90 HA PRO 12 HA PRO 12 -2.407 8.546 -2.189 91 1HB PRO 12 1HB PRO 12 -3.861 8.188 -4.462 92 2HB PRO 12 2HB PRO 12 -3.838 9.705 -3.556 93 1HG PRO 12 1HG PRO 12 -2.311 8.943 -6.019 94 2HG PRO 12 2HG PRO 12 -3.143 10.465 -5.645 95 1HD PRO 12 1HD PRO 12 -0.466 10.197 -5.401 96 2HD PRO 12 2HD PRO 12 -1.417 11.225 -4.309 97 H VAL 13 H VAL 13 -2.440 6.440 -1.717 98 HA VAL 13 HA VAL 13 -1.275 4.564 -3.649 99 HB VAL 13 HB VAL 13 -0.772 3.097 -1.868 100 1HG1 VAL 13 1HG1 VAL 13 0.303 4.740 -0.148 101 2HG1 VAL 13 2HG1 VAL 13 -0.228 5.976 -1.290 102 3HG1 VAL 13 3HG1 VAL 13 0.879 4.707 -1.817 103 1HG2 VAL 13 1HG2 VAL 13 -2.770 3.068 -0.587 104 2HG2 VAL 13 2HG2 VAL 13 -2.618 4.778 -0.184 105 3HG2 VAL 13 3HG2 VAL 13 -1.485 3.608 0.496 106 H SER 14 H SER 14 -4.205 5.676 -3.268 107 HA SER 14 HA SER 14 -5.736 3.311 -2.763 108 1HB SER 14 1HB SER 14 -6.881 5.664 -4.219 109 2HB SER 14 2HB SER 14 -7.607 4.660 -2.959 110 HG SER 14 HG SER 14 -7.002 6.778 -2.238 111 H ALA 15 H ALA 15 -5.614 5.340 -5.691 112 HA ALA 15 HA ALA 15 -6.782 3.548 -7.428 113 1HB ALA 15 1HB ALA 15 -5.730 6.058 -7.646 114 2HB ALA 15 2HB ALA 15 -6.374 5.105 -8.983 115 3HB ALA 15 3HB ALA 15 -4.641 5.111 -8.659 116 H TYR 16 H TYR 16 -3.564 3.507 -6.134 117 HA TYR 16 HA TYR 16 -2.576 1.689 -8.152 118 1HB TYR 16 1HB TYR 16 -1.423 3.174 -5.854 119 2HB TYR 16 2HB TYR 16 -0.614 1.692 -6.343 120 HD1 TYR 16 HD1 TYR 16 -0.959 5.163 -6.981 121 HD2 TYR 16 HD2 TYR 16 -0.031 1.456 -8.854 122 HE1 TYR 16 HE1 TYR 16 0.159 6.374 -8.808 123 HE2 TYR 16 HE2 TYR 16 1.090 2.656 -10.685 124 HH TYR 16 HH TYR 16 0.770 5.232 -11.668 125 H PHE 17 H PHE 17 -3.902 1.504 -4.930 126 HA PHE 17 HA PHE 17 -2.977 -0.937 -4.033 127 1HB PHE 17 1HB PHE 17 -5.517 0.571 -3.681 128 2HB PHE 17 2HB PHE 17 -5.520 -1.121 -3.204 129 HD1 PHE 17 HD1 PHE 17 -2.270 0.239 -2.751 130 HD2 PHE 17 HD2 PHE 17 -6.155 0.087 -1.008 131 HE1 PHE 17 HE1 PHE 17 -1.313 0.835 -0.571 132 HE2 PHE 17 HE2 PHE 17 -5.197 0.688 1.175 133 HZ PHE 17 HZ PHE 17 -2.775 1.064 1.396 134 H ASN 18 H ASN 18 -5.164 -0.269 -6.646 135 HA ASN 18 HA ASN 18 -6.313 -2.826 -6.937 136 1HB ASN 18 1HB ASN 18 -5.819 -0.542 -8.834 137 2HB ASN 18 2HB ASN 18 -6.489 -2.065 -9.411 138 1HD2 ASN 18 1HD2 ASN 18 -8.312 -0.709 -10.003 139 2HD2 ASN 18 2HD2 ASN 18 -9.521 -0.363 -8.810 140 H GLU 19 H GLU 19 -3.243 -1.465 -7.871 141 HA GLU 19 HA GLU 19 -2.442 -3.538 -9.643 142 1HB GLU 19 1HB GLU 19 -1.450 -1.083 -9.024 143 2HB GLU 19 2HB GLU 19 -0.339 -2.109 -8.132 144 1HG GLU 19 1HG GLU 19 0.692 -1.822 -10.188 145 2HG GLU 19 2HG GLU 19 -0.073 -3.405 -10.321 146 H TYR 20 H TYR 20 -1.744 -2.854 -6.230 147 HA TYR 20 HA TYR 20 -0.157 -5.067 -5.652 148 1HB TYR 20 1HB TYR 20 -0.336 -3.370 -4.005 149 2HB TYR 20 2HB TYR 20 -2.090 -3.461 -3.983 150 HD1 TYR 20 HD1 TYR 20 -3.216 -5.368 -2.868 151 HD2 TYR 20 HD2 TYR 20 0.995 -4.816 -2.643 152 HE1 TYR 20 HE1 TYR 20 -3.125 -6.906 -0.951 153 HE2 TYR 20 HE2 TYR 20 1.101 -6.354 -0.723 154 HH TYR 20 HH TYR 20 -1.069 -7.087 1.166 155 H GLN 21 H GLN 21 -3.673 -4.698 -5.433 156 HA GLN 21 HA GLN 21 -4.328 -7.233 -4.514 157 1HB GLN 21 1HB GLN 21 -5.970 -5.444 -4.644 158 2HB GLN 21 2HB GLN 21 -5.864 -5.436 -6.400 159 1HG GLN 21 1HG GLN 21 -7.230 -7.199 -6.624 160 2HG GLN 21 2HG GLN 21 -6.567 -8.027 -5.214 161 1HE2 GLN 21 1HE2 GLN 21 -7.665 -7.975 -3.355 162 2HE2 GLN 21 2HE2 GLN 21 -9.101 -7.055 -3.077 163 H ARG 22 H ARG 22 -4.294 -6.123 -7.904 164 HA ARG 22 HA ARG 22 -4.833 -8.552 -9.119 165 1HB ARG 22 1HB ARG 22 -3.211 -6.184 -10.036 166 2HB ARG 22 2HB ARG 22 -3.491 -7.578 -11.072 167 1HG ARG 22 1HG ARG 22 -6.000 -6.816 -10.049 168 2HG ARG 22 2HG ARG 22 -5.184 -5.340 -10.571 169 1HD ARG 22 1HD ARG 22 -4.855 -6.211 -12.769 170 2HD ARG 22 2HD ARG 22 -5.403 -7.812 -12.276 171 HE ARG 22 HE ARG 22 -7.544 -6.248 -11.758 172 1HH1 ARG 22 1HH1 ARG 22 -5.536 -6.687 -14.569 173 2HH1 ARG 22 2HH1 ARG 22 -6.806 -6.333 -15.692 174 1HH2 ARG 22 1HH2 ARG 22 -9.225 -5.780 -13.229 175 2HH2 ARG 22 2HH2 ARG 22 -8.902 -5.819 -14.930 176 H ARG 23 H ARG 23 -1.631 -7.122 -8.477 177 HA ARG 23 HA ARG 23 -0.105 -9.272 -9.393 178 1HB ARG 23 1HB ARG 23 0.371 -6.839 -7.962 179 2HB ARG 23 2HB ARG 23 1.341 -8.152 -7.295 180 1HG ARG 23 1HG ARG 23 2.722 -7.466 -8.952 181 2HG ARG 23 2HG ARG 23 1.783 -8.646 -9.847 182 1HD ARG 23 1HD ARG 23 0.232 -6.572 -10.289 183 2HD ARG 23 2HD ARG 23 1.720 -5.674 -9.979 184 HE ARG 23 HE ARG 23 1.078 -7.165 -12.317 185 1HH1 ARG 23 1HH1 ARG 23 3.725 -6.233 -10.252 186 2HH1 ARG 23 2HH1 ARG 23 4.915 -6.361 -11.504 187 1HH2 ARG 23 1HH2 ARG 23 2.637 -7.336 -13.971 188 2HH2 ARG 23 2HH2 ARG 23 4.296 -6.987 -13.619 189 H VAL 24 H VAL 24 -0.846 -8.456 -5.995 190 HA VAL 24 HA VAL 24 0.164 -10.715 -4.785 191 HB VAL 24 HB VAL 24 -2.335 -9.213 -3.984 192 1HG1 VAL 24 1HG1 VAL 24 -1.049 -11.527 -2.856 193 2HG1 VAL 24 2HG1 VAL 24 -2.548 -10.732 -2.376 194 3HG1 VAL 24 3HG1 VAL 24 -1.007 -10.177 -1.722 195 1HG2 VAL 24 1HG2 VAL 24 0.376 -8.395 -4.064 196 2HG2 VAL 24 2HG2 VAL 24 -0.078 -8.599 -2.372 197 3HG2 VAL 24 3HG2 VAL 24 -1.014 -7.527 -3.413 198 H ALA 25 H ALA 25 -2.775 -10.334 -6.607 199 HA ALA 25 HA ALA 25 -4.096 -12.689 -5.765 200 1HB ALA 25 1HB ALA 25 -5.549 -12.360 -7.635 201 2HB ALA 25 2HB ALA 25 -4.368 -11.323 -8.436 202 3HB ALA 25 3HB ALA 25 -5.163 -10.777 -6.960 203 H ASP 26 H ASP 26 -2.454 -12.053 -8.871 204 HA ASP 26 HA ASP 26 -2.407 -14.688 -9.760 205 1HB ASP 26 1HB ASP 26 -0.993 -12.189 -10.446 206 2HB ASP 26 2HB ASP 26 -0.157 -13.669 -10.906 207 H GLY 27 H GLY 27 -0.442 -13.089 -7.404 208 1HA GLY 27 1HA GLY 27 0.700 -14.506 -5.785 209 2HA GLY 27 2HA GLY 27 1.135 -15.569 -7.114 210 H GLU 28 H GLU 28 1.325 -12.082 -7.345 211 HA GLU 28 HA GLU 28 4.194 -12.310 -7.798 212 1HB GLU 28 1HB GLU 28 2.329 -9.956 -8.160 213 2HB GLU 28 2HB GLU 28 4.017 -10.007 -8.641 214 1HG GLU 28 1HG GLU 28 3.099 -12.169 -9.945 215 2HG GLU 28 2HG GLU 28 1.644 -11.172 -9.928 216 H ASP 29 H ASP 29 5.742 -11.133 -6.666 217 HA ASP 29 HA ASP 29 5.265 -10.756 -3.911 218 1HB ASP 29 1HB ASP 29 7.520 -10.711 -5.689 219 2HB ASP 29 2HB ASP 29 7.586 -9.306 -4.629 220 HA PRO 30 HA PRO 30 3.212 -6.768 -4.292 221 1HB PRO 30 1HB PRO 30 3.852 -6.691 -1.388 222 2HB PRO 30 2HB PRO 30 2.320 -6.415 -2.219 223 1HG PRO 30 1HG PRO 30 2.773 -8.688 -0.896 224 2HG PRO 30 2HG PRO 30 1.864 -8.675 -2.419 225 1HD PRO 30 1HD PRO 30 4.679 -9.518 -1.895 226 2HD PRO 30 2HD PRO 30 3.489 -10.194 -3.026 227 H LYS 31 H LYS 31 6.229 -7.268 -2.491 228 HA LYS 31 HA LYS 31 7.107 -4.704 -2.127 229 1HB LYS 31 1HB LYS 31 8.293 -7.293 -2.202 230 2HB LYS 31 2HB LYS 31 9.330 -6.187 -3.088 231 1HG LYS 31 1HG LYS 31 8.297 -5.412 -0.399 232 2HG LYS 31 2HG LYS 31 9.666 -6.519 -0.536 233 1HD LYS 31 1HD LYS 31 10.180 -4.405 -2.315 234 2HD LYS 31 2HD LYS 31 9.604 -3.664 -0.821 235 1HE LYS 31 1HE LYS 31 12.008 -3.892 -0.744 236 2HE LYS 31 2HE LYS 31 11.267 -4.968 0.441 237 1HZ LYS 31 1HZ LYS 31 11.879 -6.013 -2.232 238 2HZ LYS 31 2HZ LYS 31 11.838 -6.819 -0.745 239 3HZ LYS 31 3HZ LYS 31 13.146 -5.817 -1.127 240 H ASP 32 H ASP 32 7.361 -6.640 -5.087 241 HA ASP 32 HA ASP 32 8.666 -4.650 -6.630 242 1HB ASP 32 1HB ASP 32 7.730 -7.297 -7.029 243 2HB ASP 32 2HB ASP 32 6.996 -6.296 -8.277 244 H VAL 33 H VAL 33 5.298 -5.486 -6.022 245 HA VAL 33 HA VAL 33 4.080 -3.744 -7.846 246 HB VAL 33 HB VAL 33 3.048 -4.566 -5.126 247 1HG1 VAL 33 1HG1 VAL 33 1.069 -4.100 -7.184 248 2HG1 VAL 33 2HG1 VAL 33 2.042 -2.660 -6.880 249 3HG1 VAL 33 3HG1 VAL 33 1.177 -3.436 -5.553 250 1HG2 VAL 33 1HG2 VAL 33 3.477 -6.550 -6.336 251 2HG2 VAL 33 2HG2 VAL 33 2.841 -5.862 -7.832 252 3HG2 VAL 33 3HG2 VAL 33 1.748 -6.242 -6.501 253 H LEU 34 H LEU 34 5.103 -3.254 -4.479 254 HA LEU 34 HA LEU 34 4.159 -0.706 -4.028 255 1HB LEU 34 1HB LEU 34 6.617 -2.143 -3.112 256 2HB LEU 34 2HB LEU 34 6.400 -0.458 -2.699 257 HG LEU 34 HG LEU 34 5.660 -2.134 -0.953 258 1HD1 LEU 34 1HD1 LEU 34 4.189 -0.628 -0.134 259 2HD1 LEU 34 2HD1 LEU 34 3.270 -0.542 -1.636 260 3HD1 LEU 34 3HD1 LEU 34 4.786 0.343 -1.480 261 1HD2 LEU 34 1HD2 LEU 34 3.293 -2.959 -1.360 262 2HD2 LEU 34 2HD2 LEU 34 4.593 -3.806 -2.198 263 3HD2 LEU 34 3HD2 LEU 34 3.596 -2.641 -3.067 264 H ASP 35 H ASP 35 7.090 -1.703 -5.728 265 HA ASP 35 HA ASP 35 8.167 0.830 -6.209 266 1HB ASP 35 1HB ASP 35 9.050 -1.615 -6.754 267 2HB ASP 35 2HB ASP 35 8.344 -1.270 -8.330 268 H ASP 36 H ASP 36 5.613 -0.978 -7.769 269 HA ASP 36 HA ASP 36 5.275 0.940 -9.908 270 1HB ASP 36 1HB ASP 36 4.327 -1.724 -9.291 271 2HB ASP 36 2HB ASP 36 2.984 -0.682 -9.751 272 H LEU 37 H LEU 37 3.582 0.013 -6.939 273 HA LEU 37 HA LEU 37 1.315 1.544 -7.058 274 1HB LEU 37 1HB LEU 37 3.105 0.741 -4.803 275 2HB LEU 37 2HB LEU 37 1.772 1.830 -4.489 276 HG LEU 37 HG LEU 37 0.977 -0.549 -5.993 277 1HD1 LEU 37 1HD1 LEU 37 1.038 -1.975 -3.914 278 2HD1 LEU 37 2HD1 LEU 37 2.190 -0.814 -3.254 279 3HD1 LEU 37 3HD1 LEU 37 2.587 -1.717 -4.715 280 1HD2 LEU 37 1HD2 LEU 37 -0.218 -0.026 -3.388 281 2HD2 LEU 37 2HD2 LEU 37 -0.967 -0.132 -4.981 282 3HD2 LEU 37 3HD2 LEU 37 -0.225 1.378 -4.456 283 H GLY 38 H GLY 38 4.504 2.580 -5.876 284 1HA GLY 38 1HA GLY 38 5.466 4.681 -6.233 285 2HA GLY 38 2HA GLY 38 3.896 5.301 -6.718 286 H LEU 39 H LEU 39 5.285 3.816 -3.785 287 HA LEU 39 HA LEU 39 4.097 6.029 -2.245 288 1HB LEU 39 1HB LEU 39 4.775 3.446 -0.932 289 2HB LEU 39 2HB LEU 39 3.499 4.589 -0.560 290 HG LEU 39 HG LEU 39 2.447 3.800 -2.789 291 1HD1 LEU 39 1HD1 LEU 39 4.725 1.994 -2.506 292 2HD1 LEU 39 2HD1 LEU 39 3.755 2.387 -3.925 293 3HD1 LEU 39 3HD1 LEU 39 3.186 1.175 -2.775 294 1HD2 LEU 39 1HD2 LEU 39 2.416 1.645 -0.744 295 2HD2 LEU 39 2HD2 LEU 39 1.079 2.404 -1.610 296 3HD2 LEU 39 3HD2 LEU 39 1.869 3.258 -0.284 297 H LYS 40 H LYS 40 5.500 7.348 -1.304 298 HA LYS 40 HA LYS 40 8.309 6.762 -1.317 299 1HB LYS 40 1HB LYS 40 6.654 9.107 -0.426 300 2HB LYS 40 2HB LYS 40 8.373 9.030 -0.068 301 1HG LYS 40 1HG LYS 40 8.296 10.256 -2.026 302 2HG LYS 40 2HG LYS 40 8.658 8.625 -2.595 303 1HD LYS 40 1HD LYS 40 6.468 8.285 -3.360 304 2HD LYS 40 2HD LYS 40 5.839 9.642 -2.424 305 1HE LYS 40 1HE LYS 40 5.960 10.770 -4.357 306 2HE LYS 40 2HE LYS 40 7.684 10.872 -4.003 307 1HZ LYS 40 1HZ LYS 40 7.361 10.088 -6.234 308 2HZ LYS 40 2HZ LYS 40 6.355 8.836 -5.706 309 3HZ LYS 40 3HZ LYS 40 7.998 8.827 -5.303 310 H ARG 41 H ARG 41 9.705 6.772 0.513 311 HA ARG 41 HA ARG 41 10.390 6.084 2.566 312 1HB ARG 41 1HB ARG 41 7.683 7.135 3.413 313 2HB ARG 41 2HB ARG 41 8.985 6.705 4.512 314 1HG ARG 41 1HG ARG 41 9.445 8.731 2.365 315 2HG ARG 41 2HG ARG 41 8.622 9.182 3.859 316 1HD ARG 41 1HD ARG 41 10.730 9.597 4.557 317 2HD ARG 41 2HD ARG 41 10.721 7.865 4.886 318 HE ARG 41 HE ARG 41 11.571 8.205 2.261 319 1HH1 ARG 41 1HH1 ARG 41 12.647 9.013 5.473 320 2HH1 ARG 41 2HH1 ARG 41 14.329 8.974 5.060 321 1HH2 ARG 41 1HH2 ARG 41 13.782 8.151 1.705 322 2HH2 ARG 41 2HH2 ARG 41 14.975 8.484 2.916 323 H TYR 42 H TYR 42 10.468 4.186 3.667 324 HA TYR 42 HA TYR 42 8.708 2.095 2.823 325 1HB TYR 42 1HB TYR 42 11.286 2.126 3.650 326 2HB TYR 42 2HB TYR 42 10.491 1.600 5.131 327 HD1 TYR 42 HD1 TYR 42 8.620 -0.296 4.669 328 HD2 TYR 42 HD2 TYR 42 12.029 0.468 2.241 329 HE1 TYR 42 HE1 TYR 42 8.504 -2.591 3.795 330 HE2 TYR 42 HE2 TYR 42 11.923 -1.826 1.361 331 HH TYR 42 HH TYR 42 10.537 -4.237 2.667 332 H CYS 43 H CYS 43 8.761 4.295 5.460 333 HA CYS 43 HA CYS 43 7.552 2.962 7.524 334 1HB CYS 43 1HB CYS 43 6.504 5.141 8.122 335 2HB CYS 43 2HB CYS 43 8.218 5.274 7.744 336 H CYS 44 H CYS 44 6.198 3.845 4.460 337 HA CYS 44 HA CYS 44 3.470 3.310 5.296 338 1HB CYS 44 1HB CYS 44 4.287 3.657 2.430 339 2HB CYS 44 2HB CYS 44 2.791 4.143 3.225 340 H ARG 45 H ARG 45 5.564 2.021 2.704 341 HA ARG 45 HA ARG 45 4.118 -0.140 1.942 342 1HB ARG 45 1HB ARG 45 7.112 -0.169 2.327 343 2HB ARG 45 2HB ARG 45 6.193 -1.216 1.259 344 1HG ARG 45 1HG ARG 45 6.387 0.256 -0.372 345 2HG ARG 45 2HG ARG 45 5.554 1.466 0.604 346 1HD ARG 45 1HD ARG 45 7.482 2.483 1.234 347 2HD ARG 45 2HD ARG 45 8.402 0.978 1.231 348 HE ARG 45 HE ARG 45 7.626 1.894 -1.387 349 1HH1 ARG 45 1HH1 ARG 45 10.035 2.049 1.123 350 2HH1 ARG 45 2HH1 ARG 45 11.310 2.519 0.049 351 1HH2 ARG 45 1HH2 ARG 45 9.298 2.512 -2.809 352 2HH2 ARG 45 2HH2 ARG 45 10.891 2.783 -2.186 353 H ARG 46 H ARG 46 6.533 -0.210 4.575 354 HA ARG 46 HA ARG 46 6.502 -2.765 5.394 355 1HB ARG 46 1HB ARG 46 6.931 -2.036 7.651 356 2HB ARG 46 2HB ARG 46 7.712 -0.923 6.535 357 1HG ARG 46 1HG ARG 46 5.727 0.587 6.812 358 2HG ARG 46 2HG ARG 46 5.184 -0.487 8.102 359 1HD ARG 46 1HD ARG 46 7.383 -0.119 9.229 360 2HD ARG 46 2HD ARG 46 7.744 1.097 8.006 361 HE ARG 46 HE ARG 46 6.344 2.549 9.088 362 1HH1 ARG 46 1HH1 ARG 46 5.741 -0.686 10.228 363 2HH1 ARG 46 2HH1 ARG 46 4.678 -0.179 11.498 364 1HH2 ARG 46 1HH2 ARG 46 4.947 3.228 10.755 365 2HH2 ARG 46 2HH2 ARG 46 4.226 2.048 11.798 366 H MET 47 H MET 47 3.967 -0.422 6.181 367 HA MET 47 HA MET 47 2.401 -2.371 7.602 368 1HB MET 47 1HB MET 47 1.510 0.327 6.586 369 2HB MET 47 2HB MET 47 0.780 -0.618 7.873 370 1HG MET 47 1HG MET 47 2.787 -0.301 9.235 371 2HG MET 47 2HG MET 47 3.503 0.661 7.942 372 1HE MET 47 1HE MET 47 0.190 1.645 7.320 373 2HE MET 47 2HE MET 47 1.553 2.662 6.851 374 3HE MET 47 3HE MET 47 0.296 3.303 7.912 375 H LEU 48 H LEU 48 2.443 -0.887 4.426 376 HA LEU 48 HA LEU 48 -0.030 -1.962 3.555 377 1HB LEU 48 1HB LEU 48 2.258 -1.071 1.809 378 2HB LEU 48 2HB LEU 48 0.560 -1.151 1.378 379 HG LEU 48 HG LEU 48 1.436 0.642 3.605 380 1HD1 LEU 48 1HD1 LEU 48 2.524 2.061 2.293 381 2HD1 LEU 48 2HD1 LEU 48 1.216 2.049 1.113 382 3HD1 LEU 48 3HD1 LEU 48 2.493 0.835 1.026 383 1HD2 LEU 48 1HD2 LEU 48 -0.481 1.962 2.357 384 2HD2 LEU 48 2HD2 LEU 48 -0.839 0.692 3.527 385 3HD2 LEU 48 3HD2 LEU 48 -0.900 0.341 1.799 386 H ILE 49 H ILE 49 3.230 -2.715 2.278 387 HA ILE 49 HA ILE 49 2.670 -4.898 0.784 388 HB ILE 49 HB ILE 49 4.933 -5.852 1.551 389 1HG1 ILE 49 1HG1 ILE 49 5.684 -3.212 2.563 390 2HG1 ILE 49 2HG1 ILE 49 4.582 -4.081 3.630 391 1HG2 ILE 49 1HG2 ILE 49 4.529 -3.181 0.251 392 2HG2 ILE 49 2HG2 ILE 49 4.844 -4.742 -0.505 393 3HG2 ILE 49 3HG2 ILE 49 6.126 -3.918 0.383 394 1HD1 ILE 49 1HD1 ILE 49 6.117 -5.974 3.672 395 2HD1 ILE 49 2HD1 ILE 49 6.892 -4.491 4.231 396 3HD1 ILE 49 3HD1 ILE 49 7.219 -5.101 2.608 397 H SER 50 H SER 50 2.735 -4.800 4.267 398 HA SER 50 HA SER 50 2.558 -7.664 4.552 399 1HB SER 50 1HB SER 50 3.461 -5.717 6.208 400 2HB SER 50 2HB SER 50 1.837 -5.951 6.854 401 HG SER 50 HG SER 50 3.522 -8.149 6.330 402 H HIS 51 H HIS 51 0.398 -5.133 5.839 403 HA HIS 51 HA HIS 51 -1.829 -6.979 5.664 404 1HB HIS 51 1HB HIS 51 -1.139 -4.906 7.402 405 2HB HIS 51 2HB HIS 51 -2.535 -4.298 6.519 406 HD2 HIS 51 HD2 HIS 51 -4.943 -5.524 7.054 407 HE1 HIS 51 HE1 HIS 51 -3.419 -8.063 10.080 408 HE2 HIS 51 HE2 HIS 51 -5.520 -7.191 8.959 409 H VAL 52 H VAL 52 -1.795 -3.501 4.929 410 HA VAL 52 HA VAL 52 -3.073 -2.320 3.436 411 HB VAL 52 HB VAL 52 -0.984 -2.913 2.206 412 1HG1 VAL 52 1HG1 VAL 52 -1.349 -5.313 2.025 413 2HG1 VAL 52 2HG1 VAL 52 -1.083 -4.583 0.441 414 3HG1 VAL 52 3HG1 VAL 52 -2.714 -5.029 0.945 415 1HG2 VAL 52 1HG2 VAL 52 -2.314 -2.662 -0.134 416 2HG2 VAL 52 2HG2 VAL 52 -1.997 -1.332 0.981 417 3HG2 VAL 52 3HG2 VAL 52 -3.555 -2.157 1.013 418 H GLU 53 H GLU 53 -4.538 -4.505 4.629 419 HA GLU 53 HA GLU 53 -6.578 -5.491 4.432 420 1HB GLU 53 1HB GLU 53 -6.724 -3.269 2.786 421 2HB GLU 53 2HB GLU 53 -7.235 -4.584 1.735 422 1HG GLU 53 1HG GLU 53 -8.752 -5.213 3.768 423 2HG GLU 53 2HG GLU 53 -8.505 -3.522 4.205 424 H THR 54 H THR 54 -7.883 -6.484 2.104 425 HA THR 54 HA THR 54 -7.864 -8.202 0.599 426 HB THR 54 HB THR 54 -6.004 -8.704 -0.659 427 HG1 THR 54 HG1 THR 54 -4.420 -9.545 0.465 428 1HG2 THR 54 1HG2 THR 54 -6.324 -6.072 -0.078 429 2HG2 THR 54 2HG2 THR 54 -5.203 -6.695 -1.289 430 3HG2 THR 54 3HG2 THR 54 -4.623 -6.304 0.330 431 H TRP 55 H TRP 55 -7.703 -8.458 3.592 432 HA TRP 55 HA TRP 55 -7.561 -10.075 5.190 433 1HB TRP 55 1HB TRP 55 -9.214 -11.035 3.491 434 2HB TRP 55 2HB TRP 55 -7.888 -12.050 2.933 435 HD1 TRP 55 HD1 TRP 55 -7.300 -14.165 4.349 436 HE1 TRP 55 HE1 TRP 55 -8.340 -15.260 6.435 437 HE3 TRP 55 HE3 TRP 55 -10.448 -10.393 5.764 438 HZ2 TRP 55 HZ2 TRP 55 -10.242 -14.612 8.416 439 HZ3 TRP 55 HZ3 TRP 55 -11.844 -10.710 7.767 440 HH2 TRP 55 HH2 TRP 55 -11.742 -12.776 9.064 Start of MODEL 19 1 H MET 1 H MET 1 -8.128 4.625 0.246 2 HA MET 1 HA MET 1 -6.254 3.228 1.792 3 1HB MET 1 1HB MET 1 -4.929 5.232 1.745 4 2HB MET 1 2HB MET 1 -5.723 5.062 0.188 5 1HG MET 1 1HG MET 1 -6.025 7.289 0.603 6 2HG MET 1 2HG MET 1 -7.524 6.615 1.240 7 1HE MET 1 1HE MET 1 -4.128 6.181 3.484 8 2HE MET 1 2HE MET 1 -3.909 7.910 3.749 9 3HE MET 1 3HE MET 1 -3.894 7.261 2.109 10 H ILE 2 H ILE 2 -5.434 3.644 3.881 11 HA ILE 2 HA ILE 2 -7.511 4.310 5.785 12 HB ILE 2 HB ILE 2 -4.728 3.207 6.133 13 1HG1 ILE 2 1HG1 ILE 2 -5.978 1.190 6.889 14 2HG1 ILE 2 2HG1 ILE 2 -7.481 2.007 6.468 15 1HG2 ILE 2 1HG2 ILE 2 -6.781 3.618 8.299 16 2HG2 ILE 2 2HG2 ILE 2 -5.359 4.630 8.057 17 3HG2 ILE 2 3HG2 ILE 2 -5.166 2.931 8.480 18 1HD1 ILE 2 1HD1 ILE 2 -7.085 1.853 4.206 19 2HD1 ILE 2 2HD1 ILE 2 -6.431 0.330 4.813 20 3HD1 ILE 2 3HD1 ILE 2 -5.344 1.662 4.417 21 HA PRO 3 HA PRO 3 -5.907 8.438 6.429 22 1HB PRO 3 1HB PRO 3 -7.430 9.163 8.481 23 2HB PRO 3 2HB PRO 3 -8.173 8.847 6.905 24 1HG PRO 3 1HG PRO 3 -7.933 7.016 9.284 25 2HG PRO 3 2HG PRO 3 -9.384 7.405 8.331 26 1HD PRO 3 1HD PRO 3 -7.906 5.165 7.895 27 2HD PRO 3 2HD PRO 3 -8.763 6.011 6.589 28 H VAL 4 H VAL 4 -5.169 9.730 8.497 29 HA VAL 4 HA VAL 4 -3.763 9.898 10.283 30 HB VAL 4 HB VAL 4 -5.305 7.408 10.800 31 1HG1 VAL 4 1HG1 VAL 4 -2.714 7.991 12.183 32 2HG1 VAL 4 2HG1 VAL 4 -3.384 6.441 11.661 33 3HG1 VAL 4 3HG1 VAL 4 -4.050 7.264 13.075 34 1HG2 VAL 4 1HG2 VAL 4 -5.288 8.927 13.072 35 2HG2 VAL 4 2HG2 VAL 4 -6.473 9.035 11.771 36 3HG2 VAL 4 3HG2 VAL 4 -5.096 10.135 11.801 37 H ARG 5 H ARG 5 -3.464 6.425 9.735 38 HA ARG 5 HA ARG 5 -0.748 6.222 10.069 39 1HB ARG 5 1HB ARG 5 -2.868 4.545 9.407 40 2HB ARG 5 2HB ARG 5 -1.723 4.344 8.080 41 1HG ARG 5 1HG ARG 5 -1.137 2.703 9.634 42 2HG ARG 5 2HG ARG 5 0.038 3.992 9.902 43 1HD ARG 5 1HD ARG 5 -0.544 3.931 12.050 44 2HD ARG 5 2HD ARG 5 -2.088 4.633 11.567 45 HE ARG 5 HE ARG 5 -2.016 1.778 11.315 46 1HH1 ARG 5 1HH1 ARG 5 -2.557 4.431 13.504 47 2HH1 ARG 5 2HH1 ARG 5 -3.563 3.512 14.574 48 1HH2 ARG 5 1HH2 ARG 5 -3.337 0.559 12.714 49 2HH2 ARG 5 2HH2 ARG 5 -4.007 1.309 14.125 50 H CYS 6 H CYS 6 0.557 5.099 8.089 51 HA CYS 6 HA CYS 6 0.748 7.219 6.067 52 1HB CYS 6 1HB CYS 6 2.693 5.889 7.702 53 2HB CYS 6 2HB CYS 6 3.056 5.580 6.007 54 H LEU 7 H LEU 7 -0.548 6.556 4.461 55 HA LEU 7 HA LEU 7 0.286 4.136 3.046 56 1HB LEU 7 1HB LEU 7 -2.561 5.039 3.434 57 2HB LEU 7 2HB LEU 7 -2.062 3.708 2.418 58 HG LEU 7 HG LEU 7 -2.793 2.565 4.257 59 1HD1 LEU 7 1HD1 LEU 7 -0.282 2.942 5.698 60 2HD1 LEU 7 2HD1 LEU 7 -0.078 2.554 3.993 61 3HD1 LEU 7 3HD1 LEU 7 -1.005 1.481 5.034 62 1HD2 LEU 7 1HD2 LEU 7 -1.770 4.815 5.979 63 2HD2 LEU 7 2HD2 LEU 7 -2.611 3.377 6.562 64 3HD2 LEU 7 3HD2 LEU 7 -3.444 4.522 5.511 65 H SER 8 H SER 8 1.178 6.713 2.631 66 HA SER 8 HA SER 8 0.576 7.102 -0.120 67 1HB SER 8 1HB SER 8 -0.722 8.872 1.903 68 2HB SER 8 2HB SER 8 -0.098 9.621 0.433 69 HG SER 8 HG SER 8 -2.216 9.004 0.075 70 H CYS 9 H CYS 9 1.510 9.271 2.547 71 HA CYS 9 HA CYS 9 3.445 10.355 3.030 72 1HB CYS 9 1HB CYS 9 4.266 7.869 1.955 73 2HB CYS 9 2HB CYS 9 5.311 9.099 1.249 74 H GLY 10 H GLY 10 1.746 10.942 0.556 75 1HA GLY 10 1HA GLY 10 2.374 13.274 -0.316 76 2HA GLY 10 2HA GLY 10 3.763 12.435 -0.989 77 H LYS 11 H LYS 11 1.960 10.042 -1.460 78 HA LYS 11 HA LYS 11 0.411 11.101 -3.713 79 1HB LYS 11 1HB LYS 11 2.804 9.520 -3.869 80 2HB LYS 11 2HB LYS 11 1.453 8.617 -4.542 81 1HG LYS 11 1HG LYS 11 2.648 9.932 -6.234 82 2HG LYS 11 2HG LYS 11 0.962 10.427 -6.067 83 1HD LYS 11 1HD LYS 11 1.523 12.388 -4.938 84 2HD LYS 11 2HD LYS 11 3.145 11.812 -4.561 85 1HE LYS 11 1HE LYS 11 3.564 11.821 -7.070 86 2HE LYS 11 2HE LYS 11 2.065 12.740 -7.208 87 1HZ LYS 11 1HZ LYS 11 3.587 13.958 -5.230 88 2HZ LYS 11 2HZ LYS 11 3.224 14.556 -6.770 89 3HZ LYS 11 3HZ LYS 11 4.637 13.660 -6.523 90 HA PRO 12 HA PRO 12 -2.714 8.300 -2.385 91 1HB PRO 12 1HB PRO 12 -3.623 7.839 -5.097 92 2HB PRO 12 2HB PRO 12 -4.374 8.808 -3.829 93 1HG PRO 12 1HG PRO 12 -3.261 9.874 -6.081 94 2HG PRO 12 2HG PRO 12 -3.382 10.740 -4.540 95 1HD PRO 12 1HD PRO 12 -1.027 9.356 -5.756 96 2HD PRO 12 2HD PRO 12 -1.096 10.876 -4.844 97 H VAL 13 H VAL 13 -2.728 6.199 -1.897 98 HA VAL 13 HA VAL 13 -1.239 4.363 -3.635 99 HB VAL 13 HB VAL 13 -0.941 2.921 -1.754 100 1HG1 VAL 13 1HG1 VAL 13 0.088 4.576 -0.082 101 2HG1 VAL 13 2HG1 VAL 13 -0.443 5.830 -1.205 102 3HG1 VAL 13 3HG1 VAL 13 0.694 4.591 -1.740 103 1HG2 VAL 13 1HG2 VAL 13 -2.797 4.773 -0.255 104 2HG2 VAL 13 2HG2 VAL 13 -1.871 3.460 0.474 105 3HG2 VAL 13 3HG2 VAL 13 -3.125 3.104 -0.715 106 H SER 14 H SER 14 -4.406 5.157 -2.633 107 HA SER 14 HA SER 14 -5.687 2.672 -2.725 108 1HB SER 14 1HB SER 14 -7.095 5.092 -3.772 109 2HB SER 14 2HB SER 14 -7.666 3.857 -2.646 110 HG SER 14 HG SER 14 -7.300 5.587 -1.385 111 H ALA 15 H ALA 15 -5.380 5.124 -5.300 112 HA ALA 15 HA ALA 15 -6.619 3.688 -7.331 113 1HB ALA 15 1HB ALA 15 -4.300 5.353 -8.099 114 2HB ALA 15 2HB ALA 15 -5.579 6.146 -7.178 115 3HB ALA 15 3HB ALA 15 -5.954 5.357 -8.710 116 H TYR 16 H TYR 16 -3.374 3.451 -6.049 117 HA TYR 16 HA TYR 16 -2.491 1.702 -8.179 118 1HB TYR 16 1HB TYR 16 -1.241 3.056 -5.850 119 2HB TYR 16 2HB TYR 16 -0.483 1.575 -6.419 120 HD1 TYR 16 HD1 TYR 16 -0.809 5.085 -6.928 121 HD2 TYR 16 HD2 TYR 16 0.119 1.438 -8.916 122 HE1 TYR 16 HE1 TYR 16 0.314 6.350 -8.713 123 HE2 TYR 16 HE2 TYR 16 1.245 2.694 -10.706 124 HH TYR 16 HH TYR 16 1.827 6.125 -10.459 125 H PHE 17 H PHE 17 -3.787 1.439 -4.968 126 HA PHE 17 HA PHE 17 -2.888 -0.999 -4.085 127 1HB PHE 17 1HB PHE 17 -5.478 0.449 -3.796 128 2HB PHE 17 2HB PHE 17 -5.429 -1.234 -3.295 129 HD1 PHE 17 HD1 PHE 17 -6.096 -0.160 -1.081 130 HD2 PHE 17 HD2 PHE 17 -2.275 0.388 -2.879 131 HE1 PHE 17 HE1 PHE 17 -5.170 0.514 1.095 132 HE2 PHE 17 HE2 PHE 17 -1.346 1.061 -0.706 133 HZ PHE 17 HZ PHE 17 -2.795 1.127 1.285 134 H ASN 18 H ASN 18 -5.126 -0.337 -6.682 135 HA ASN 18 HA ASN 18 -6.229 -2.886 -7.035 136 1HB ASN 18 1HB ASN 18 -6.559 -0.498 -8.271 137 2HB ASN 18 2HB ASN 18 -5.603 -1.342 -9.486 138 1HD2 ASN 18 1HD2 ASN 18 -8.119 -0.562 -10.084 139 2HD2 ASN 18 2HD2 ASN 18 -9.163 -1.941 -10.202 140 H GLU 19 H GLU 19 -3.137 -1.537 -7.919 141 HA GLU 19 HA GLU 19 -2.341 -3.630 -9.680 142 1HB GLU 19 1HB GLU 19 -1.370 -1.167 -9.192 143 2HB GLU 19 2HB GLU 19 -0.275 -2.103 -8.187 144 1HG GLU 19 1HG GLU 19 0.875 -2.041 -10.158 145 2HG GLU 19 2HG GLU 19 -0.006 -3.558 -10.334 146 H TYR 20 H TYR 20 -1.562 -2.863 -6.299 147 HA TYR 20 HA TYR 20 0.032 -5.077 -5.729 148 1HB TYR 20 1HB TYR 20 -0.092 -3.301 -4.140 149 2HB TYR 20 2HB TYR 20 -1.837 -3.448 -4.002 150 HD1 TYR 20 HD1 TYR 20 -2.830 -5.304 -2.728 151 HD2 TYR 20 HD2 TYR 20 1.381 -4.714 -2.874 152 HE1 TYR 20 HE1 TYR 20 -2.563 -6.781 -0.782 153 HE2 TYR 20 HE2 TYR 20 1.659 -6.191 -0.926 154 HH TYR 20 HH TYR 20 -0.970 -8.072 0.345 155 H GLN 21 H GLN 21 -3.467 -4.662 -5.391 156 HA GLN 21 HA GLN 21 -4.063 -7.212 -4.397 157 1HB GLN 21 1HB GLN 21 -5.680 -5.413 -4.319 158 2HB GLN 21 2HB GLN 21 -5.736 -5.340 -6.075 159 1HG GLN 21 1HG GLN 21 -7.217 -6.986 -6.202 160 2HG GLN 21 2HG GLN 21 -6.335 -7.986 -5.052 161 1HE2 GLN 21 1HE2 GLN 21 -7.498 -4.757 -4.341 162 2HE2 GLN 21 2HE2 GLN 21 -8.692 -5.239 -3.192 163 H ARG 22 H ARG 22 -4.285 -6.007 -7.742 164 HA ARG 22 HA ARG 22 -4.955 -8.371 -9.012 165 1HB ARG 22 1HB ARG 22 -3.393 -5.954 -9.855 166 2HB ARG 22 2HB ARG 22 -3.513 -7.331 -10.941 167 1HG ARG 22 1HG ARG 22 -6.122 -6.910 -10.154 168 2HG ARG 22 2HG ARG 22 -5.464 -5.280 -10.321 169 1HD ARG 22 1HD ARG 22 -4.518 -6.161 -12.566 170 2HD ARG 22 2HD ARG 22 -5.717 -7.439 -12.380 171 HE ARG 22 HE ARG 22 -6.202 -4.735 -13.141 172 1HH1 ARG 22 1HH1 ARG 22 -7.570 -7.468 -11.474 173 2HH1 ARG 22 2HH1 ARG 22 -9.209 -6.987 -11.757 174 1HH2 ARG 22 1HH2 ARG 22 -8.356 -4.089 -13.520 175 2HH2 ARG 22 2HH2 ARG 22 -9.656 -5.064 -12.922 176 H ARG 23 H ARG 23 -1.700 -7.047 -8.473 177 HA ARG 23 HA ARG 23 -0.268 -9.209 -9.511 178 1HB ARG 23 1HB ARG 23 0.331 -6.820 -8.010 179 2HB ARG 23 2HB ARG 23 1.367 -8.174 -7.562 180 1HG ARG 23 1HG ARG 23 2.248 -6.803 -9.408 181 2HG ARG 23 2HG ARG 23 2.049 -8.490 -9.829 182 1HD ARG 23 1HD ARG 23 0.417 -8.054 -11.332 183 2HD ARG 23 2HD ARG 23 -0.245 -6.722 -10.386 184 HE ARG 23 HE ARG 23 2.259 -5.975 -11.428 185 1HH1 ARG 23 1HH1 ARG 23 -1.010 -6.603 -12.452 186 2HH1 ARG 23 2HH1 ARG 23 -0.927 -5.533 -13.811 187 1HH2 ARG 23 1HH2 ARG 23 2.379 -4.565 -13.213 188 2HH2 ARG 23 2HH2 ARG 23 1.000 -4.373 -14.244 189 H VAL 24 H VAL 24 -0.510 -8.391 -6.050 190 HA VAL 24 HA VAL 24 0.459 -10.738 -5.009 191 HB VAL 24 HB VAL 24 -1.769 -9.081 -3.818 192 1HG1 VAL 24 1HG1 VAL 24 -1.382 -11.361 -2.828 193 2HG1 VAL 24 2HG1 VAL 24 -1.179 -10.010 -1.711 194 3HG1 VAL 24 3HG1 VAL 24 0.237 -10.815 -2.390 195 1HG2 VAL 24 1HG2 VAL 24 0.997 -8.485 -4.304 196 2HG2 VAL 24 2HG2 VAL 24 0.677 -8.521 -2.569 197 3HG2 VAL 24 3HG2 VAL 24 -0.263 -7.460 -3.617 198 H ALA 25 H ALA 25 -2.730 -10.093 -6.288 199 HA ALA 25 HA ALA 25 -4.139 -12.256 -5.237 200 1HB ALA 25 1HB ALA 25 -5.588 -12.018 -7.263 201 2HB ALA 25 2HB ALA 25 -4.444 -10.818 -7.864 202 3HB ALA 25 3HB ALA 25 -5.323 -10.525 -6.364 203 H ASP 26 H ASP 26 -2.579 -12.049 -8.444 204 HA ASP 26 HA ASP 26 -2.923 -14.791 -9.039 205 1HB ASP 26 1HB ASP 26 -1.121 -12.654 -10.170 206 2HB ASP 26 2HB ASP 26 -1.099 -14.307 -10.776 207 H GLY 27 H GLY 27 -0.001 -12.982 -8.071 208 1HA GLY 27 1HA GLY 27 1.065 -14.415 -6.128 209 2HA GLY 27 2HA GLY 27 1.341 -15.510 -7.474 210 H GLU 28 H GLU 28 1.533 -11.972 -7.434 211 HA GLU 28 HA GLU 28 4.283 -12.195 -8.386 212 1HB GLU 28 1HB GLU 28 2.391 -9.842 -8.477 213 2HB GLU 28 2HB GLU 28 3.987 -9.910 -9.207 214 1HG GLU 28 1HG GLU 28 2.704 -12.115 -10.253 215 2HG GLU 28 2HG GLU 28 1.448 -10.879 -10.201 216 H ASP 29 H ASP 29 5.951 -10.952 -7.498 217 HA ASP 29 HA ASP 29 5.976 -10.665 -4.721 218 1HB ASP 29 1HB ASP 29 8.035 -9.176 -5.222 219 2HB ASP 29 2HB ASP 29 8.088 -10.868 -5.713 220 HA PRO 30 HA PRO 30 3.430 -6.921 -4.573 221 1HB PRO 30 1HB PRO 30 4.182 -7.047 -1.719 222 2HB PRO 30 2HB PRO 30 2.582 -6.967 -2.460 223 1HG PRO 30 1HG PRO 30 3.494 -9.230 -1.348 224 2HG PRO 30 2HG PRO 30 2.467 -9.247 -2.792 225 1HD PRO 30 1HD PRO 30 5.414 -9.658 -2.555 226 2HD PRO 30 2HD PRO 30 4.247 -10.449 -3.634 227 H LYS 31 H LYS 31 6.486 -7.328 -2.808 228 HA LYS 31 HA LYS 31 7.144 -4.713 -2.289 229 1HB LYS 31 1HB LYS 31 8.514 -7.202 -2.372 230 2HB LYS 31 2HB LYS 31 9.506 -6.012 -3.202 231 1HG LYS 31 1HG LYS 31 9.833 -4.757 -1.316 232 2HG LYS 31 2HG LYS 31 8.330 -5.298 -0.564 233 1HD LYS 31 1HD LYS 31 9.258 -7.361 0.066 234 2HD LYS 31 2HD LYS 31 10.626 -7.177 -1.033 235 1HE LYS 31 1HE LYS 31 10.178 -5.275 1.242 236 2HE LYS 31 2HE LYS 31 11.025 -6.803 1.477 237 1HZ LYS 31 1HZ LYS 31 12.441 -6.000 -0.500 238 2HZ LYS 31 2HZ LYS 31 12.723 -5.332 1.028 239 3HZ LYS 31 3HZ LYS 31 11.835 -4.466 -0.123 240 H ASP 32 H ASP 32 7.536 -6.505 -5.308 241 HA ASP 32 HA ASP 32 8.836 -4.433 -6.747 242 1HB ASP 32 1HB ASP 32 8.116 -7.062 -7.272 243 2HB ASP 32 2HB ASP 32 7.087 -6.132 -8.357 244 H VAL 33 H VAL 33 5.465 -5.369 -6.279 245 HA VAL 33 HA VAL 33 4.254 -3.532 -7.999 246 HB VAL 33 HB VAL 33 3.181 -4.507 -5.348 247 1HG1 VAL 33 1HG1 VAL 33 1.257 -3.469 -5.804 248 2HG1 VAL 33 2HG1 VAL 33 1.293 -3.966 -7.497 249 3HG1 VAL 33 3HG1 VAL 33 2.183 -2.533 -6.979 250 1HG2 VAL 33 1HG2 VAL 33 1.918 -6.096 -6.950 251 2HG2 VAL 33 2HG2 VAL 33 3.589 -6.467 -6.519 252 3HG2 VAL 33 3HG2 VAL 33 3.223 -5.729 -8.078 253 H LEU 34 H LEU 34 5.275 -3.227 -4.617 254 HA LEU 34 HA LEU 34 4.279 -0.721 -4.018 255 1HB LEU 34 1HB LEU 34 6.740 -2.189 -3.168 256 2HB LEU 34 2HB LEU 34 6.503 -0.534 -2.658 257 HG LEU 34 HG LEU 34 5.760 -2.349 -1.037 258 1HD1 LEU 34 1HD1 LEU 34 4.908 0.185 -1.417 259 2HD1 LEU 34 2HD1 LEU 34 4.376 -0.851 -0.093 260 3HD1 LEU 34 3HD1 LEU 34 3.385 -0.695 -1.543 261 1HD2 LEU 34 1HD2 LEU 34 3.700 -2.671 -3.191 262 2HD2 LEU 34 2HD2 LEU 34 3.359 -3.075 -1.512 263 3HD2 LEU 34 3HD2 LEU 34 4.651 -3.912 -2.374 264 H ASP 35 H ASP 35 7.226 -1.582 -5.758 265 HA ASP 35 HA ASP 35 8.273 0.991 -6.062 266 1HB ASP 35 1HB ASP 35 9.164 -1.433 -6.763 267 2HB ASP 35 2HB ASP 35 8.531 -0.928 -8.327 268 H ASP 36 H ASP 36 5.740 -0.733 -7.730 269 HA ASP 36 HA ASP 36 5.425 1.310 -9.763 270 1HB ASP 36 1HB ASP 36 4.489 -1.409 -9.328 271 2HB ASP 36 2HB ASP 36 3.178 -0.346 -9.833 272 H LEU 37 H LEU 37 3.699 0.155 -6.899 273 HA LEU 37 HA LEU 37 1.388 1.626 -6.974 274 1HB LEU 37 1HB LEU 37 3.173 0.768 -4.731 275 2HB LEU 37 2HB LEU 37 1.786 1.779 -4.388 276 HG LEU 37 HG LEU 37 1.172 -0.594 -6.009 277 1HD1 LEU 37 1HD1 LEU 37 1.157 -1.902 -3.736 278 2HD1 LEU 37 2HD1 LEU 37 2.469 -0.799 -3.337 279 3HD1 LEU 37 3HD1 LEU 37 2.605 -1.858 -4.740 280 1HD2 LEU 37 1HD2 LEU 37 -0.201 -0.227 -3.480 281 2HD2 LEU 37 2HD2 LEU 37 -0.844 -0.264 -5.122 282 3HD2 LEU 37 3HD2 LEU 37 -0.199 1.239 -4.461 283 H GLY 38 H GLY 38 4.619 2.690 -6.094 284 1HA GLY 38 1HA GLY 38 5.527 4.781 -5.904 285 2HA GLY 38 2HA GLY 38 4.112 5.392 -6.748 286 H LEU 39 H LEU 39 4.964 4.058 -3.556 287 HA LEU 39 HA LEU 39 3.152 6.030 -2.346 288 1HB LEU 39 1HB LEU 39 4.298 3.693 -0.869 289 2HB LEU 39 2HB LEU 39 2.807 4.565 -0.572 290 HG LEU 39 HG LEU 39 2.110 3.570 -2.898 291 1HD1 LEU 39 1HD1 LEU 39 3.174 1.100 -2.677 292 2HD1 LEU 39 2HD1 LEU 39 4.555 2.093 -2.207 293 3HD1 LEU 39 3HD1 LEU 39 3.780 2.346 -3.771 294 1HD2 LEU 39 1HD2 LEU 39 1.394 3.063 -0.394 295 2HD2 LEU 39 2HD2 LEU 39 2.148 1.515 -0.772 296 3HD2 LEU 39 3HD2 LEU 39 0.811 2.106 -1.755 297 H LYS 40 H LYS 40 6.450 5.044 -2.584 298 HA LYS 40 HA LYS 40 8.386 5.869 -1.725 299 1HB LYS 40 1HB LYS 40 6.588 8.114 -1.974 300 2HB LYS 40 2HB LYS 40 7.672 8.347 -0.610 301 1HG LYS 40 1HG LYS 40 8.613 9.329 -2.602 302 2HG LYS 40 2HG LYS 40 9.593 7.955 -2.087 303 1HD LYS 40 1HD LYS 40 7.823 6.760 -3.777 304 2HD LYS 40 2HD LYS 40 8.024 8.341 -4.535 305 1HE LYS 40 1HE LYS 40 10.206 7.974 -5.049 306 2HE LYS 40 2HE LYS 40 10.481 6.961 -3.631 307 1HZ LYS 40 1HZ LYS 40 9.983 5.116 -4.762 308 2HZ LYS 40 2HZ LYS 40 10.235 6.048 -6.152 309 3HZ LYS 40 3HZ LYS 40 8.667 5.819 -5.559 310 H ARG 41 H ARG 41 9.541 6.279 0.246 311 HA ARG 41 HA ARG 41 9.988 5.872 2.439 312 1HB ARG 41 1HB ARG 41 7.191 6.946 2.840 313 2HB ARG 41 2HB ARG 41 8.421 6.794 4.086 314 1HG ARG 41 1HG ARG 41 9.674 8.279 2.131 315 2HG ARG 41 2HG ARG 41 8.015 8.882 2.116 316 1HD ARG 41 1HD ARG 41 8.178 9.778 4.186 317 2HD ARG 41 2HD ARG 41 9.228 8.490 4.777 318 HE ARG 41 HE ARG 41 10.664 10.035 2.936 319 1HH1 ARG 41 1HH1 ARG 41 9.260 10.307 6.113 320 2HH1 ARG 41 2HH1 ARG 41 10.406 11.484 6.660 321 1HH2 ARG 41 1HH2 ARG 41 12.178 11.585 3.647 322 2HH2 ARG 41 2HH2 ARG 41 12.065 12.210 5.258 323 H TYR 42 H TYR 42 10.197 3.798 2.956 324 HA TYR 42 HA TYR 42 8.292 1.806 2.543 325 1HB TYR 42 1HB TYR 42 9.731 0.357 3.836 326 2HB TYR 42 2HB TYR 42 10.739 1.426 2.865 327 HD1 TYR 42 HD1 TYR 42 12.256 2.946 3.883 328 HD2 TYR 42 HD2 TYR 42 9.488 0.782 6.283 329 HE1 TYR 42 HE1 TYR 42 13.461 3.657 5.905 330 HE2 TYR 42 HE2 TYR 42 10.687 1.487 8.311 331 HH TYR 42 HH TYR 42 13.022 3.947 8.306 332 H CYS 43 H CYS 43 8.534 4.115 5.082 333 HA CYS 43 HA CYS 43 7.419 2.856 7.255 334 1HB CYS 43 1HB CYS 43 6.508 5.043 7.912 335 2HB CYS 43 2HB CYS 43 8.155 5.187 7.310 336 H CYS 44 H CYS 44 5.917 3.736 4.254 337 HA CYS 44 HA CYS 44 3.239 3.135 5.222 338 1HB CYS 44 1HB CYS 44 3.842 3.520 2.319 339 2HB CYS 44 2HB CYS 44 2.424 4.019 3.242 340 H ARG 45 H ARG 45 5.359 1.946 2.614 341 HA ARG 45 HA ARG 45 3.976 -0.240 1.793 342 1HB ARG 45 1HB ARG 45 6.946 -0.417 2.234 343 2HB ARG 45 2HB ARG 45 5.988 -1.150 0.958 344 1HG ARG 45 1HG ARG 45 5.494 1.191 0.156 345 2HG ARG 45 2HG ARG 45 6.746 1.735 1.276 346 1HD ARG 45 1HD ARG 45 8.422 0.506 0.144 347 2HD ARG 45 2HD ARG 45 7.228 -0.382 -0.803 348 HE ARG 45 HE ARG 45 6.999 2.383 -1.313 349 1HH1 ARG 45 1HH1 ARG 45 9.078 -0.337 -1.949 350 2HH1 ARG 45 2HH1 ARG 45 9.677 0.306 -3.441 351 1HH2 ARG 45 1HH2 ARG 45 7.780 3.238 -3.276 352 2HH2 ARG 45 2HH2 ARG 45 8.939 2.339 -4.196 353 H ARG 46 H ARG 46 6.436 -0.352 4.389 354 HA ARG 46 HA ARG 46 6.306 -2.943 5.147 355 1HB ARG 46 1HB ARG 46 6.904 -2.270 7.401 356 2HB ARG 46 2HB ARG 46 7.740 -1.257 6.233 357 1HG ARG 46 1HG ARG 46 5.875 0.430 6.592 358 2HG ARG 46 2HG ARG 46 5.410 -0.549 7.985 359 1HD ARG 46 1HD ARG 46 7.885 -0.331 8.678 360 2HD ARG 46 2HD ARG 46 7.932 1.004 7.530 361 HE ARG 46 HE ARG 46 5.773 1.550 9.095 362 1HH1 ARG 46 1HH1 ARG 46 9.137 0.888 9.708 363 2HH1 ARG 46 2HH1 ARG 46 9.202 1.861 11.140 364 1HH2 ARG 46 1HH2 ARG 46 5.848 2.833 10.981 365 2HH2 ARG 46 2HH2 ARG 46 7.332 2.965 11.864 366 H MET 47 H MET 47 3.947 -0.455 5.979 367 HA MET 47 HA MET 47 2.376 -2.242 7.594 368 1HB MET 47 1HB MET 47 1.899 0.542 6.538 369 2HB MET 47 2HB MET 47 0.715 -0.325 7.506 370 1HG MET 47 1HG MET 47 2.593 -0.563 9.233 371 2HG MET 47 2HG MET 47 3.408 0.700 8.309 372 1HE MET 47 1HE MET 47 0.198 2.958 8.018 373 2HE MET 47 2HE MET 47 1.630 2.338 7.197 374 3HE MET 47 3HE MET 47 1.788 3.640 8.372 375 H LEU 48 H LEU 48 2.430 -1.139 4.289 376 HA LEU 48 HA LEU 48 -0.181 -2.169 3.675 377 1HB LEU 48 1HB LEU 48 1.955 -1.313 1.729 378 2HB LEU 48 2HB LEU 48 0.232 -1.441 1.427 379 HG LEU 48 HG LEU 48 1.175 0.443 3.534 380 1HD1 LEU 48 1HD1 LEU 48 2.268 1.794 2.157 381 2HD1 LEU 48 2HD1 LEU 48 0.915 1.793 1.028 382 3HD1 LEU 48 3HD1 LEU 48 2.164 0.552 0.910 383 1HD2 LEU 48 1HD2 LEU 48 -1.127 0.375 3.449 384 2HD2 LEU 48 2HD2 LEU 48 -1.159 0.158 1.699 385 3HD2 LEU 48 3HD2 LEU 48 -0.760 1.734 2.385 386 H ILE 49 H ILE 49 3.007 -2.917 2.233 387 HA ILE 49 HA ILE 49 2.398 -5.168 0.858 388 HB ILE 49 HB ILE 49 4.738 -6.042 1.562 389 1HG1 ILE 49 1HG1 ILE 49 5.437 -3.278 2.280 390 2HG1 ILE 49 2HG1 ILE 49 4.494 -4.131 3.505 391 1HG2 ILE 49 1HG2 ILE 49 5.805 -4.390 0.063 392 2HG2 ILE 49 2HG2 ILE 49 4.333 -3.421 0.134 393 3HG2 ILE 49 3HG2 ILE 49 4.294 -5.035 -0.576 394 1HD1 ILE 49 1HD1 ILE 49 7.272 -4.430 2.760 395 2HD1 ILE 49 2HD1 ILE 49 6.409 -5.968 2.775 396 3HD1 ILE 49 3HD1 ILE 49 6.424 -4.952 4.216 397 H SER 50 H SER 50 2.648 -4.910 4.318 398 HA SER 50 HA SER 50 2.573 -7.768 4.724 399 1HB SER 50 1HB SER 50 3.676 -5.904 6.223 400 2HB SER 50 2HB SER 50 2.061 -5.803 6.925 401 HG SER 50 HG SER 50 3.509 -7.320 7.968 402 H HIS 51 H HIS 51 0.454 -5.183 5.983 403 HA HIS 51 HA HIS 51 -1.717 -7.087 6.175 404 1HB HIS 51 1HB HIS 51 -1.308 -5.545 8.022 405 2HB HIS 51 2HB HIS 51 -1.562 -4.168 6.957 406 HD2 HIS 51 HD2 HIS 51 -4.152 -3.407 6.590 407 HE1 HIS 51 HE1 HIS 51 -5.866 -6.547 8.854 408 HE2 HIS 51 HE2 HIS 51 -6.321 -4.365 7.645 409 H VAL 52 H VAL 52 -1.922 -3.705 5.123 410 HA VAL 52 HA VAL 52 -3.479 -2.756 3.724 411 HB VAL 52 HB VAL 52 -1.318 -3.077 2.481 412 1HG1 VAL 52 1HG1 VAL 52 -2.781 -5.090 0.827 413 2HG1 VAL 52 2HG1 VAL 52 -1.752 -5.574 2.175 414 3HG1 VAL 52 3HG1 VAL 52 -1.066 -4.677 0.819 415 1HG2 VAL 52 1HG2 VAL 52 -2.899 -1.517 1.675 416 2HG2 VAL 52 2HG2 VAL 52 -3.922 -2.797 1.016 417 3HG2 VAL 52 3HG2 VAL 52 -2.352 -2.459 0.285 418 H GLU 53 H GLU 53 -5.548 -3.310 4.060 419 HA GLU 53 HA GLU 53 -6.667 -5.840 3.596 420 1HB GLU 53 1HB GLU 53 -7.825 -3.099 3.978 421 2HB GLU 53 2HB GLU 53 -8.870 -4.459 3.591 422 1HG GLU 53 1HG GLU 53 -8.529 -5.477 5.606 423 2HG GLU 53 2HG GLU 53 -6.951 -4.727 5.842 424 H THR 54 H THR 54 -7.363 -2.864 1.759 425 HA THR 54 HA THR 54 -7.866 -2.513 -0.437 426 HB THR 54 HB THR 54 -6.856 -3.760 -2.116 427 HG1 THR 54 HG1 THR 54 -6.276 -6.004 -1.775 428 1HG2 THR 54 1HG2 THR 54 -5.235 -4.241 0.379 429 2HG2 THR 54 2HG2 THR 54 -5.117 -2.871 -0.726 430 3HG2 THR 54 3HG2 THR 54 -4.629 -4.480 -1.260 431 H TRP 55 H TRP 55 -9.734 -2.688 -1.562 432 HA TRP 55 HA TRP 55 -11.205 -5.122 -1.780 433 1HB TRP 55 1HB TRP 55 -11.663 -3.561 0.550 434 2HB TRP 55 2HB TRP 55 -13.074 -3.384 -0.488 435 HD1 TRP 55 HD1 TRP 55 -11.807 -5.547 2.147 436 HE1 TRP 55 HE1 TRP 55 -13.048 -7.801 2.190 437 HE3 TRP 55 HE3 TRP 55 -14.094 -5.302 -2.419 438 HZ2 TRP 55 HZ2 TRP 55 -14.769 -9.280 0.511 439 HZ3 TRP 55 HZ3 TRP 55 -15.520 -7.178 -3.124 440 HH2 TRP 55 HH2 TRP 55 -15.850 -9.125 -1.689 Start of MODEL 20 1 H MET 1 H MET 1 -6.956 1.456 0.262 2 HA MET 1 HA MET 1 -5.345 2.081 1.750 3 1HB MET 1 1HB MET 1 -4.645 4.323 1.577 4 2HB MET 1 2HB MET 1 -5.420 3.967 0.043 5 1HG MET 1 1HG MET 1 -7.279 5.273 0.530 6 2HG MET 1 2HG MET 1 -6.942 5.282 2.259 7 1HE MET 1 1HE MET 1 -3.499 6.023 1.774 8 2HE MET 1 2HE MET 1 -4.620 6.129 3.130 9 3HE MET 1 3HE MET 1 -3.839 7.587 2.517 10 H ILE 2 H ILE 2 -5.179 4.255 3.506 11 HA ILE 2 HA ILE 2 -7.335 3.637 5.422 12 HB ILE 2 HB ILE 2 -4.545 4.404 6.229 13 1HG1 ILE 2 1HG1 ILE 2 -5.628 1.626 5.725 14 2HG1 ILE 2 2HG1 ILE 2 -4.296 2.406 4.877 15 1HG2 ILE 2 1HG2 ILE 2 -6.715 2.906 7.679 16 2HG2 ILE 2 2HG2 ILE 2 -6.303 4.605 7.911 17 3HG2 ILE 2 3HG2 ILE 2 -5.137 3.350 8.332 18 1HD1 ILE 2 1HD1 ILE 2 -3.801 2.356 7.706 19 2HD1 ILE 2 2HD1 ILE 2 -2.842 1.695 6.381 20 3HD1 ILE 2 3HD1 ILE 2 -4.141 0.737 7.094 21 HA PRO 3 HA PRO 3 -7.896 8.090 5.539 22 1HB PRO 3 1HB PRO 3 -9.698 8.237 7.467 23 2HB PRO 3 2HB PRO 3 -10.104 7.348 5.987 24 1HG PRO 3 1HG PRO 3 -9.000 6.263 8.585 25 2HG PRO 3 2HG PRO 3 -10.491 5.764 7.738 26 1HD PRO 3 1HD PRO 3 -8.176 4.434 7.411 27 2HD PRO 3 2HD PRO 3 -9.301 4.660 6.058 28 H VAL 4 H VAL 4 -5.509 7.389 6.593 29 HA VAL 4 HA VAL 4 -4.563 9.168 8.319 30 HB VAL 4 HB VAL 4 -6.304 7.282 9.806 31 1HG1 VAL 4 1HG1 VAL 4 -4.001 6.579 10.551 32 2HG1 VAL 4 2HG1 VAL 4 -5.012 7.244 11.832 33 3HG1 VAL 4 3HG1 VAL 4 -3.742 8.231 11.112 34 1HG2 VAL 4 1HG2 VAL 4 -7.025 9.182 10.737 35 2HG2 VAL 4 2HG2 VAL 4 -6.066 10.005 9.509 36 3HG2 VAL 4 3HG2 VAL 4 -5.390 9.727 11.114 37 H ARG 5 H ARG 5 -2.569 8.309 9.567 38 HA ARG 5 HA ARG 5 -0.713 6.968 9.728 39 1HB ARG 5 1HB ARG 5 -2.668 5.110 8.992 40 2HB ARG 5 2HB ARG 5 -1.379 4.884 7.815 41 1HG ARG 5 1HG ARG 5 -0.963 3.394 9.608 42 2HG ARG 5 2HG ARG 5 0.213 4.702 9.749 43 1HD ARG 5 1HD ARG 5 -0.567 5.325 11.742 44 2HD ARG 5 2HD ARG 5 -2.241 5.263 11.191 45 HE ARG 5 HE ARG 5 -2.429 3.147 12.063 46 1HH1 ARG 5 1HH1 ARG 5 0.920 4.102 12.023 47 2HH1 ARG 5 2HH1 ARG 5 1.449 2.760 12.982 48 1HH2 ARG 5 1HH2 ARG 5 -1.743 1.377 13.327 49 2HH2 ARG 5 2HH2 ARG 5 -0.066 1.212 13.723 50 H CYS 6 H CYS 6 0.560 5.471 7.752 51 HA CYS 6 HA CYS 6 1.032 7.509 5.687 52 1HB CYS 6 1HB CYS 6 2.819 6.357 7.544 53 2HB CYS 6 2HB CYS 6 3.231 5.675 5.973 54 H LEU 7 H LEU 7 -0.203 6.796 4.063 55 HA LEU 7 HA LEU 7 0.594 4.273 2.822 56 1HB LEU 7 1HB LEU 7 -2.244 5.249 3.103 57 2HB LEU 7 2HB LEU 7 -1.752 3.846 2.179 58 HG LEU 7 HG LEU 7 -2.550 2.835 4.063 59 1HD1 LEU 7 1HD1 LEU 7 -0.801 1.743 4.870 60 2HD1 LEU 7 2HD1 LEU 7 -0.128 3.196 5.606 61 3HD1 LEU 7 3HD1 LEU 7 0.204 2.825 3.916 62 1HD2 LEU 7 1HD2 LEU 7 -3.078 5.037 5.107 63 2HD2 LEU 7 2HD2 LEU 7 -1.458 5.025 5.809 64 3HD2 LEU 7 3HD2 LEU 7 -2.617 3.769 6.243 65 H SER 8 H SER 8 1.546 6.789 2.246 66 HA SER 8 HA SER 8 1.037 7.013 -0.517 67 1HB SER 8 1HB SER 8 -0.947 8.233 0.923 68 2HB SER 8 2HB SER 8 0.176 9.569 0.668 69 HG SER 8 HG SER 8 -0.858 9.659 -1.177 70 H CYS 9 H CYS 9 1.706 9.394 2.053 71 HA CYS 9 HA CYS 9 3.562 10.625 2.538 72 1HB CYS 9 1HB CYS 9 4.613 8.194 1.409 73 2HB CYS 9 2HB CYS 9 5.605 9.558 0.910 74 H GLY 10 H GLY 10 1.805 11.046 0.141 75 1HA GLY 10 1HA GLY 10 2.049 13.264 -0.958 76 2HA GLY 10 2HA GLY 10 3.668 12.742 -1.403 77 H LYS 11 H LYS 11 2.394 9.965 -1.835 78 HA LYS 11 HA LYS 11 1.212 10.553 -4.467 79 1HB LYS 11 1HB LYS 11 3.604 9.073 -3.775 80 2HB LYS 11 2HB LYS 11 2.478 8.076 -4.688 81 1HG LYS 11 1HG LYS 11 3.982 9.133 -6.214 82 2HG LYS 11 2HG LYS 11 2.390 9.876 -6.404 83 1HD LYS 11 1HD LYS 11 3.479 11.449 -4.491 84 2HD LYS 11 2HD LYS 11 4.912 11.029 -5.424 85 1HE LYS 11 1HE LYS 11 2.569 11.786 -7.025 86 2HE LYS 11 2HE LYS 11 3.227 13.076 -6.018 87 1HZ LYS 11 1HZ LYS 11 4.135 12.527 -8.442 88 2HZ LYS 11 2HZ LYS 11 5.153 11.518 -7.543 89 3HZ LYS 11 3HZ LYS 11 5.112 13.178 -7.224 90 HA PRO 12 HA PRO 12 -2.249 8.385 -2.425 91 1HB PRO 12 1HB PRO 12 -2.900 8.362 -5.347 92 2HB PRO 12 2HB PRO 12 -3.956 8.676 -3.969 93 1HG PRO 12 1HG PRO 12 -2.968 10.667 -5.468 94 2HG PRO 12 2HG PRO 12 -3.212 10.843 -3.722 95 1HD PRO 12 1HD PRO 12 -0.702 10.627 -5.248 96 2HD PRO 12 2HD PRO 12 -0.988 11.268 -3.621 97 H VAL 13 H VAL 13 -2.444 6.256 -2.038 98 HA VAL 13 HA VAL 13 -1.095 4.401 -3.879 99 HB VAL 13 HB VAL 13 -0.779 2.896 -2.048 100 1HG1 VAL 13 1HG1 VAL 13 0.958 4.430 -2.013 101 2HG1 VAL 13 2HG1 VAL 13 0.361 4.499 -0.354 102 3HG1 VAL 13 3HG1 VAL 13 -0.087 5.756 -1.507 103 1HG2 VAL 13 1HG2 VAL 13 -2.503 4.775 -0.438 104 2HG2 VAL 13 2HG2 VAL 13 -1.570 3.440 0.241 105 3HG2 VAL 13 3HG2 VAL 13 -2.880 3.116 -0.895 106 H SER 14 H SER 14 -4.124 5.185 -2.399 107 HA SER 14 HA SER 14 -5.558 2.858 -2.504 108 1HB SER 14 1HB SER 14 -6.824 5.380 -3.521 109 2HB SER 14 2HB SER 14 -7.486 4.160 -2.428 110 HG SER 14 HG SER 14 -6.326 6.426 -1.780 111 H ALA 15 H ALA 15 -5.169 5.172 -5.189 112 HA ALA 15 HA ALA 15 -6.650 3.715 -7.072 113 1HB ALA 15 1HB ALA 15 -5.663 5.133 -8.738 114 2HB ALA 15 2HB ALA 15 -4.345 5.568 -7.651 115 3HB ALA 15 3HB ALA 15 -5.989 6.097 -7.298 116 H TYR 16 H TYR 16 -3.351 3.402 -5.986 117 HA TYR 16 HA TYR 16 -2.623 1.642 -8.163 118 1HB TYR 16 1HB TYR 16 -1.228 2.943 -5.885 119 2HB TYR 16 2HB TYR 16 -0.532 1.454 -6.510 120 HD1 TYR 16 HD1 TYR 16 -1.000 4.987 -7.073 121 HD2 TYR 16 HD2 TYR 16 0.120 1.326 -8.932 122 HE1 TYR 16 HE1 TYR 16 0.050 6.246 -8.906 123 HE2 TYR 16 HE2 TYR 16 1.172 2.576 -10.771 124 HH TYR 16 HH TYR 16 0.994 4.812 -11.818 125 H PHE 17 H PHE 17 -3.803 1.387 -4.917 126 HA PHE 17 HA PHE 17 -2.952 -1.053 -4.031 127 1HB PHE 17 1HB PHE 17 -5.521 0.423 -3.768 128 2HB PHE 17 2HB PHE 17 -5.520 -1.268 -3.292 129 HD1 PHE 17 HD1 PHE 17 -6.153 -0.379 -1.046 130 HD2 PHE 17 HD2 PHE 17 -2.375 0.432 -2.835 131 HE1 PHE 17 HE1 PHE 17 -5.247 0.231 1.155 132 HE2 PHE 17 HE2 PHE 17 -1.464 1.045 -0.632 133 HZ PHE 17 HZ PHE 17 -2.902 0.946 1.365 134 H ASN 18 H ASN 18 -5.099 -0.409 -6.695 135 HA ASN 18 HA ASN 18 -6.225 -2.965 -7.011 136 1HB ASN 18 1HB ASN 18 -5.760 -0.627 -8.821 137 2HB ASN 18 2HB ASN 18 -6.247 -2.164 -9.530 138 1HD2 ASN 18 1HD2 ASN 18 -8.207 -3.157 -8.662 139 2HD2 ASN 18 2HD2 ASN 18 -9.500 -2.122 -8.149 140 H GLU 19 H GLU 19 -3.202 -1.548 -8.141 141 HA GLU 19 HA GLU 19 -2.373 -3.651 -9.811 142 1HB GLU 19 1HB GLU 19 -1.371 -1.207 -9.201 143 2HB GLU 19 2HB GLU 19 -0.283 -2.224 -8.271 144 1HG GLU 19 1HG GLU 19 0.864 -2.150 -10.219 145 2HG GLU 19 2HG GLU 19 -0.153 -3.550 -10.554 146 H TYR 20 H TYR 20 -1.628 -2.970 -6.404 147 HA TYR 20 HA TYR 20 -0.086 -5.226 -5.853 148 1HB TYR 20 1HB TYR 20 -0.213 -3.472 -4.238 149 2HB TYR 20 2HB TYR 20 -1.959 -3.615 -4.114 150 HD1 TYR 20 HD1 TYR 20 1.231 -4.816 -2.917 151 HD2 TYR 20 HD2 TYR 20 -2.949 -5.601 -2.972 152 HE1 TYR 20 HE1 TYR 20 1.499 -6.339 -1.003 153 HE2 TYR 20 HE2 TYR 20 -2.696 -7.127 -1.060 154 HH TYR 20 HH TYR 20 0.261 -8.309 -0.030 155 H GLN 21 H GLN 21 -3.587 -4.755 -5.587 156 HA GLN 21 HA GLN 21 -4.264 -7.290 -4.628 157 1HB GLN 21 1HB GLN 21 -5.806 -5.333 -4.755 158 2HB GLN 21 2HB GLN 21 -5.903 -5.566 -6.496 159 1HG GLN 21 1HG GLN 21 -7.319 -7.291 -6.321 160 2HG GLN 21 2HG GLN 21 -6.509 -7.949 -4.899 161 1HE2 GLN 21 1HE2 GLN 21 -7.985 -4.783 -5.469 162 2HE2 GLN 21 2HE2 GLN 21 -9.122 -4.886 -4.173 163 H ARG 22 H ARG 22 -4.528 -6.142 -7.999 164 HA ARG 22 HA ARG 22 -5.049 -8.568 -9.214 165 1HB ARG 22 1HB ARG 22 -5.184 -6.503 -10.459 166 2HB ARG 22 2HB ARG 22 -3.466 -6.205 -10.235 167 1HG ARG 22 1HG ARG 22 -2.913 -8.090 -11.637 168 2HG ARG 22 2HG ARG 22 -4.622 -8.506 -11.796 169 1HD ARG 22 1HD ARG 22 -4.895 -6.124 -12.733 170 2HD ARG 22 2HD ARG 22 -3.142 -6.159 -12.931 171 HE ARG 22 HE ARG 22 -4.258 -8.475 -14.073 172 1HH1 ARG 22 1HH1 ARG 22 -4.048 -5.040 -14.596 173 2HH1 ARG 22 2HH1 ARG 22 -4.196 -5.161 -16.318 174 1HH2 ARG 22 1HH2 ARG 22 -4.454 -8.649 -16.338 175 2HH2 ARG 22 2HH2 ARG 22 -4.426 -7.215 -17.309 176 H ARG 23 H ARG 23 -1.893 -7.062 -8.592 177 HA ARG 23 HA ARG 23 -0.318 -9.123 -9.666 178 1HB ARG 23 1HB ARG 23 0.129 -6.834 -7.813 179 2HB ARG 23 2HB ARG 23 1.338 -8.109 -7.824 180 1HG ARG 23 1HG ARG 23 1.747 -6.137 -9.348 181 2HG ARG 23 2HG ARG 23 1.874 -7.739 -10.077 182 1HD ARG 23 1HD ARG 23 -0.799 -6.518 -10.187 183 2HD ARG 23 2HD ARG 23 0.446 -5.685 -11.118 184 HE ARG 23 HE ARG 23 0.333 -8.540 -11.531 185 1HH1 ARG 23 1HH1 ARG 23 -0.805 -5.415 -12.574 186 2HH1 ARG 23 2HH1 ARG 23 -1.224 -5.958 -14.164 187 1HH2 ARG 23 1HH2 ARG 23 -0.218 -9.260 -13.622 188 2HH2 ARG 23 2HH2 ARG 23 -0.891 -8.141 -14.760 189 H VAL 24 H VAL 24 -0.554 -8.359 -6.197 190 HA VAL 24 HA VAL 24 0.413 -10.706 -5.184 191 HB VAL 24 HB VAL 24 -1.862 -9.138 -3.963 192 1HG1 VAL 24 1HG1 VAL 24 -0.271 -10.012 -1.926 193 2HG1 VAL 24 2HG1 VAL 24 -0.197 -11.366 -3.054 194 3HG1 VAL 24 3HG1 VAL 24 -1.758 -10.797 -2.460 195 1HG2 VAL 24 1HG2 VAL 24 0.619 -8.465 -2.798 196 2HG2 VAL 24 2HG2 VAL 24 -0.460 -7.434 -3.736 197 3HG2 VAL 24 3HG2 VAL 24 0.815 -8.345 -4.547 198 H ALA 25 H ALA 25 -2.730 -10.135 -6.569 199 HA ALA 25 HA ALA 25 -4.152 -12.287 -5.499 200 1HB ALA 25 1HB ALA 25 -4.405 -10.927 -8.172 201 2HB ALA 25 2HB ALA 25 -5.321 -10.595 -6.703 202 3HB ALA 25 3HB ALA 25 -5.551 -12.118 -7.560 203 H ASP 26 H ASP 26 -2.404 -12.135 -8.615 204 HA ASP 26 HA ASP 26 -2.715 -14.927 -9.109 205 1HB ASP 26 1HB ASP 26 -2.144 -12.854 -10.715 206 2HB ASP 26 2HB ASP 26 -0.510 -13.446 -10.439 207 H GLY 27 H GLY 27 0.252 -13.027 -8.491 208 1HA GLY 27 1HA GLY 27 1.309 -14.371 -6.392 209 2HA GLY 27 2HA GLY 27 1.681 -15.426 -7.745 210 H GLU 28 H GLU 28 1.636 -11.885 -7.793 211 HA GLU 28 HA GLU 28 4.431 -11.940 -8.638 212 1HB GLU 28 1HB GLU 28 2.350 -9.748 -8.735 213 2HB GLU 28 2HB GLU 28 4.004 -9.577 -9.302 214 1HG GLU 28 1HG GLU 28 2.997 -10.063 -11.266 215 2HG GLU 28 2HG GLU 28 3.357 -11.701 -10.729 216 H ASP 29 H ASP 29 6.055 -10.984 -7.522 217 HA ASP 29 HA ASP 29 5.950 -10.687 -4.786 218 1HB ASP 29 1HB ASP 29 8.037 -9.179 -5.175 219 2HB ASP 29 2HB ASP 29 8.102 -10.871 -5.659 220 HA PRO 30 HA PRO 30 3.418 -6.937 -4.605 221 1HB PRO 30 1HB PRO 30 4.100 -7.151 -1.733 222 2HB PRO 30 2HB PRO 30 2.522 -7.022 -2.512 223 1HG PRO 30 1HG PRO 30 3.367 -9.334 -1.454 224 2HG PRO 30 2HG PRO 30 2.386 -9.289 -2.930 225 1HD PRO 30 1HD PRO 30 5.319 -9.752 -2.614 226 2HD PRO 30 2HD PRO 30 4.175 -10.486 -3.757 227 H LYS 31 H LYS 31 6.415 -7.361 -2.722 228 HA LYS 31 HA LYS 31 7.064 -4.757 -2.171 229 1HB LYS 31 1HB LYS 31 8.441 -7.247 -2.268 230 2HB LYS 31 2HB LYS 31 9.450 -6.036 -3.043 231 1HG LYS 31 1HG LYS 31 9.862 -4.950 -1.119 232 2HG LYS 31 2HG LYS 31 8.232 -5.216 -0.495 233 1HD LYS 31 1HD LYS 31 9.017 -7.698 -0.305 234 2HD LYS 31 2HD LYS 31 10.634 -6.990 -0.354 235 1HE LYS 31 1HE LYS 31 10.089 -5.586 1.563 236 2HE LYS 31 2HE LYS 31 8.458 -6.256 1.602 237 1HZ LYS 31 1HZ LYS 31 10.219 -8.401 1.645 238 2HZ LYS 31 2HZ LYS 31 9.226 -7.856 2.902 239 3HZ LYS 31 3HZ LYS 31 10.811 -7.280 2.766 240 H ASP 32 H ASP 32 7.592 -6.520 -5.189 241 HA ASP 32 HA ASP 32 8.896 -4.419 -6.572 242 1HB ASP 32 1HB ASP 32 8.139 -7.068 -7.134 243 2HB ASP 32 2HB ASP 32 7.297 -6.076 -8.321 244 H VAL 33 H VAL 33 5.530 -5.383 -6.168 245 HA VAL 33 HA VAL 33 4.359 -3.560 -7.950 246 HB VAL 33 HB VAL 33 3.189 -4.569 -5.352 247 1HG1 VAL 33 1HG1 VAL 33 1.379 -4.041 -7.567 248 2HG1 VAL 33 2HG1 VAL 33 2.236 -2.598 -7.024 249 3HG1 VAL 33 3HG1 VAL 33 1.279 -3.540 -5.879 250 1HG2 VAL 33 1HG2 VAL 33 3.341 -5.764 -8.090 251 2HG2 VAL 33 2HG2 VAL 33 2.011 -6.160 -7.002 252 3HG2 VAL 33 3HG2 VAL 33 3.673 -6.510 -6.527 253 H LEU 34 H LEU 34 5.180 -3.280 -4.503 254 HA LEU 34 HA LEU 34 4.144 -0.794 -3.937 255 1HB LEU 34 1HB LEU 34 6.593 -2.219 -2.983 256 2HB LEU 34 2HB LEU 34 6.283 -0.579 -2.461 257 HG LEU 34 HG LEU 34 5.504 -2.411 -0.893 258 1HD1 LEU 34 1HD1 LEU 34 4.076 -0.922 -0.041 259 2HD1 LEU 34 2HD1 LEU 34 3.051 -0.950 -1.476 260 3HD1 LEU 34 3HD1 LEU 34 4.483 0.078 -1.436 261 1HD2 LEU 34 1HD2 LEU 34 4.577 -4.010 -2.349 262 2HD2 LEU 34 2HD2 LEU 34 3.571 -2.805 -3.156 263 3HD2 LEU 34 3HD2 LEU 34 3.209 -3.292 -1.500 264 H ASP 35 H ASP 35 7.116 -1.601 -5.636 265 HA ASP 35 HA ASP 35 8.139 1.013 -5.834 266 1HB ASP 35 1HB ASP 35 9.210 -1.317 -6.440 267 2HB ASP 35 2HB ASP 35 8.546 -0.978 -8.036 268 H ASP 36 H ASP 36 5.783 -0.798 -7.681 269 HA ASP 36 HA ASP 36 5.505 1.234 -9.721 270 1HB ASP 36 1HB ASP 36 4.608 -1.496 -9.312 271 2HB ASP 36 2HB ASP 36 3.282 -0.466 -9.842 272 H LEU 37 H LEU 37 3.684 0.067 -6.929 273 HA LEU 37 HA LEU 37 1.351 1.483 -7.068 274 1HB LEU 37 1HB LEU 37 3.108 0.643 -4.817 275 2HB LEU 37 2HB LEU 37 1.746 1.685 -4.461 276 HG LEU 37 HG LEU 37 1.064 -0.663 -6.092 277 1HD1 LEU 37 1HD1 LEU 37 2.297 -0.943 -3.379 278 2HD1 LEU 37 2HD1 LEU 37 2.564 -1.909 -4.831 279 3HD1 LEU 37 3HD1 LEU 37 1.057 -2.067 -3.930 280 1HD2 LEU 37 1HD2 LEU 37 -0.236 -0.241 -3.511 281 2HD2 LEU 37 2HD2 LEU 37 -0.930 -0.369 -5.128 282 3HD2 LEU 37 3HD2 LEU 37 -0.278 1.171 -4.569 283 H GLY 38 H GLY 38 4.464 2.626 -5.818 284 1HA GLY 38 1HA GLY 38 5.242 4.825 -6.268 285 2HA GLY 38 2HA GLY 38 3.576 5.374 -6.350 286 H LEU 39 H LEU 39 5.396 3.547 -3.895 287 HA LEU 39 HA LEU 39 4.822 5.713 -1.987 288 1HB LEU 39 1HB LEU 39 4.968 3.008 -0.848 289 2HB LEU 39 2HB LEU 39 3.871 4.324 -0.482 290 HG LEU 39 HG LEU 39 2.705 3.728 -2.690 291 1HD1 LEU 39 1HD1 LEU 39 4.758 1.661 -2.537 292 2HD1 LEU 39 2HD1 LEU 39 3.800 2.215 -3.911 293 3HD1 LEU 39 3HD1 LEU 39 3.129 1.030 -2.788 294 1HD2 LEU 39 1HD2 LEU 39 2.134 3.116 -0.182 295 2HD2 LEU 39 2HD2 LEU 39 2.417 1.483 -0.783 296 3HD2 LEU 39 3HD2 LEU 39 1.189 2.499 -1.538 297 H LYS 40 H LYS 40 6.991 6.405 -2.536 298 HA LYS 40 HA LYS 40 9.327 5.017 -2.407 299 1HB LYS 40 1HB LYS 40 8.627 7.829 -1.647 300 2HB LYS 40 2HB LYS 40 10.262 7.239 -1.377 301 1HG LYS 40 1HG LYS 40 9.111 6.775 -4.058 302 2HG LYS 40 2HG LYS 40 9.497 8.442 -3.630 303 1HD LYS 40 1HD LYS 40 11.715 8.077 -3.704 304 2HD LYS 40 2HD LYS 40 11.578 6.491 -2.942 305 1HE LYS 40 1HE LYS 40 12.371 6.067 -5.113 306 2HE LYS 40 2HE LYS 40 10.653 5.673 -5.161 307 1HZ LYS 40 1HZ LYS 40 11.473 6.993 -7.085 308 2HZ LYS 40 2HZ LYS 40 11.757 8.284 -6.030 309 3HZ LYS 40 3HZ LYS 40 10.183 7.709 -6.256 310 H ARG 41 H ARG 41 8.502 7.055 0.378 311 HA ARG 41 HA ARG 41 10.140 5.885 2.221 312 1HB ARG 41 1HB ARG 41 7.372 6.954 2.804 313 2HB ARG 41 2HB ARG 41 8.695 6.803 3.955 314 1HG ARG 41 1HG ARG 41 9.876 8.321 2.069 315 2HG ARG 41 2HG ARG 41 8.200 8.841 1.892 316 1HD ARG 41 1HD ARG 41 8.444 8.859 4.583 317 2HD ARG 41 2HD ARG 41 10.093 9.262 4.107 318 HE ARG 41 HE ARG 41 8.545 10.918 2.602 319 1HH1 ARG 41 1HH1 ARG 41 8.818 10.258 6.009 320 2HH1 ARG 41 2HH1 ARG 41 8.358 11.858 6.489 321 1HH2 ARG 41 1HH2 ARG 41 7.936 13.028 3.220 322 2HH2 ARG 41 2HH2 ARG 41 7.856 13.433 4.902 323 H TYR 42 H TYR 42 10.329 3.891 2.961 324 HA TYR 42 HA TYR 42 8.436 1.862 2.481 325 1HB TYR 42 1HB TYR 42 9.889 0.415 3.717 326 2HB TYR 42 2HB TYR 42 10.909 1.535 2.820 327 HD1 TYR 42 HD1 TYR 42 12.574 2.719 3.929 328 HD2 TYR 42 HD2 TYR 42 9.383 1.039 6.187 329 HE1 TYR 42 HE1 TYR 42 13.722 3.349 6.008 330 HE2 TYR 42 HE2 TYR 42 10.524 1.665 8.274 331 HH TYR 42 HH TYR 42 13.135 3.805 8.371 332 H CYS 43 H CYS 43 8.695 4.190 4.997 333 HA CYS 43 HA CYS 43 7.589 2.975 7.191 334 1HB CYS 43 1HB CYS 43 6.656 5.188 7.785 335 2HB CYS 43 2HB CYS 43 8.321 5.293 7.224 336 H CYS 44 H CYS 44 6.068 3.788 4.182 337 HA CYS 44 HA CYS 44 3.383 3.244 5.171 338 1HB CYS 44 1HB CYS 44 4.034 3.544 2.261 339 2HB CYS 44 2HB CYS 44 2.593 4.052 3.136 340 H ARG 45 H ARG 45 5.597 1.902 2.723 341 HA ARG 45 HA ARG 45 4.175 -0.282 1.900 342 1HB ARG 45 1HB ARG 45 7.145 -0.287 2.462 343 2HB ARG 45 2HB ARG 45 6.292 -1.361 1.365 344 1HG ARG 45 1HG ARG 45 6.021 0.262 -0.238 345 2HG ARG 45 2HG ARG 45 6.153 1.584 0.919 346 1HD ARG 45 1HD ARG 45 8.230 1.793 0.093 347 2HD ARG 45 2HD ARG 45 8.596 0.440 1.163 348 HE ARG 45 HE ARG 45 7.746 -0.702 -1.182 349 1HH1 ARG 45 1HH1 ARG 45 10.278 1.495 -0.241 350 2HH1 ARG 45 2HH1 ARG 45 11.363 0.984 -1.490 351 1HH2 ARG 45 1HH2 ARG 45 9.168 -1.384 -2.831 352 2HH2 ARG 45 2HH2 ARG 45 10.732 -0.652 -2.962 353 H ARG 46 H ARG 46 6.570 -0.358 4.547 354 HA ARG 46 HA ARG 46 6.338 -2.891 5.440 355 1HB ARG 46 1HB ARG 46 6.829 -2.044 7.720 356 2HB ARG 46 2HB ARG 46 7.842 -1.317 6.481 357 1HG ARG 46 1HG ARG 46 7.304 0.620 7.441 358 2HG ARG 46 2HG ARG 46 5.756 0.441 6.614 359 1HD ARG 46 1HD ARG 46 5.375 0.939 8.944 360 2HD ARG 46 2HD ARG 46 4.861 -0.713 8.599 361 HE ARG 46 HE ARG 46 6.418 -1.447 10.093 362 1HH1 ARG 46 1HH1 ARG 46 7.277 1.774 9.088 363 2HH1 ARG 46 2HH1 ARG 46 8.595 1.909 10.203 364 1HH2 ARG 46 1HH2 ARG 46 8.151 -1.279 11.566 365 2HH2 ARG 46 2HH2 ARG 46 9.092 0.174 11.611 366 H MET 47 H MET 47 3.969 -0.348 5.924 367 HA MET 47 HA MET 47 2.341 -2.005 7.666 368 1HB MET 47 1HB MET 47 2.059 0.784 6.570 369 2HB MET 47 2HB MET 47 0.756 -0.002 7.447 370 1HG MET 47 1HG MET 47 2.553 -0.376 9.275 371 2HG MET 47 2HG MET 47 3.419 0.910 8.436 372 1HE MET 47 1HE MET 47 1.323 3.835 8.416 373 2HE MET 47 2HE MET 47 -0.008 2.785 7.930 374 3HE MET 47 3HE MET 47 1.605 2.538 7.257 375 H LEU 48 H LEU 48 2.478 -1.009 4.329 376 HA LEU 48 HA LEU 48 -0.183 -1.933 3.743 377 1HB LEU 48 1HB LEU 48 1.988 -1.183 1.791 378 2HB LEU 48 2HB LEU 48 0.266 -1.279 1.472 379 HG LEU 48 HG LEU 48 1.207 0.620 3.558 380 1HD1 LEU 48 1HD1 LEU 48 2.363 1.934 2.196 381 2HD1 LEU 48 2HD1 LEU 48 1.058 1.921 1.012 382 3HD1 LEU 48 3HD1 LEU 48 2.293 0.662 0.977 383 1HD2 LEU 48 1HD2 LEU 48 -1.110 0.545 3.368 384 2HD2 LEU 48 2HD2 LEU 48 -1.053 0.435 1.609 385 3HD2 LEU 48 3HD2 LEU 48 -0.654 1.954 2.411 386 H ILE 49 H ILE 49 2.970 -2.819 2.323 387 HA ILE 49 HA ILE 49 2.290 -5.073 0.987 388 HB ILE 49 HB ILE 49 4.599 -6.005 1.683 389 1HG1 ILE 49 1HG1 ILE 49 5.384 -3.277 2.441 390 2HG1 ILE 49 2HG1 ILE 49 4.403 -4.108 3.646 391 1HG2 ILE 49 1HG2 ILE 49 4.162 -3.414 0.225 392 2HG2 ILE 49 2HG2 ILE 49 4.324 -5.037 -0.448 393 3HG2 ILE 49 3HG2 ILE 49 5.723 -4.234 0.265 394 1HD1 ILE 49 1HD1 ILE 49 6.164 -6.044 3.097 395 2HD1 ILE 49 2HD1 ILE 49 6.412 -4.826 4.347 396 3HD1 ILE 49 3HD1 ILE 49 7.159 -4.626 2.762 397 H SER 50 H SER 50 2.600 -4.782 4.451 398 HA SER 50 HA SER 50 2.485 -7.613 4.926 399 1HB SER 50 1HB SER 50 2.860 -5.193 6.517 400 2HB SER 50 2HB SER 50 1.842 -6.387 7.324 401 HG SER 50 HG SER 50 4.077 -6.698 7.753 402 H HIS 51 H HIS 51 0.313 -5.103 6.212 403 HA HIS 51 HA HIS 51 -1.856 -7.017 6.239 404 1HB HIS 51 1HB HIS 51 -1.512 -5.578 8.181 405 2HB HIS 51 2HB HIS 51 -1.734 -4.145 7.183 406 HD2 HIS 51 HD2 HIS 51 -3.886 -3.605 9.012 407 HE1 HIS 51 HE1 HIS 51 -6.405 -6.464 7.168 408 HE2 HIS 51 HE2 HIS 51 -6.309 -4.504 8.775 409 H VAL 52 H VAL 52 -1.975 -3.587 5.344 410 HA VAL 52 HA VAL 52 -3.430 -2.522 3.930 411 HB VAL 52 HB VAL 52 -1.331 -2.951 2.651 412 1HG1 VAL 52 1HG1 VAL 52 -2.865 -4.974 1.074 413 2HG1 VAL 52 2HG1 VAL 52 -1.833 -5.441 2.426 414 3HG1 VAL 52 3HG1 VAL 52 -1.143 -4.607 1.036 415 1HG2 VAL 52 1HG2 VAL 52 -2.988 -1.399 1.845 416 2HG2 VAL 52 2HG2 VAL 52 -3.892 -2.715 1.091 417 3HG2 VAL 52 3HG2 VAL 52 -2.289 -2.287 0.489 418 H GLU 53 H GLU 53 -5.524 -2.958 4.333 419 HA GLU 53 HA GLU 53 -6.915 -5.298 4.072 420 1HB GLU 53 1HB GLU 53 -7.563 -2.662 4.614 421 2HB GLU 53 2HB GLU 53 -8.501 -3.020 3.171 422 1HG GLU 53 1HG GLU 53 -9.189 -5.157 4.472 423 2HG GLU 53 2HG GLU 53 -8.660 -4.240 5.882 424 H THR 54 H THR 54 -6.640 -6.597 2.346 425 HA THR 54 HA THR 54 -7.891 -5.824 -0.133 426 HB THR 54 HB THR 54 -5.901 -6.496 -1.522 427 HG1 THR 54 HG1 THR 54 -4.675 -6.341 1.035 428 1HG2 THR 54 1HG2 THR 54 -6.576 -4.138 -1.193 429 2HG2 THR 54 2HG2 THR 54 -4.837 -4.325 -1.415 430 3HG2 THR 54 3HG2 THR 54 -5.494 -4.048 0.197 431 H TRP 55 H TRP 55 -9.290 -7.524 0.076 432 HA TRP 55 HA TRP 55 -8.150 -10.218 0.324 433 1HB TRP 55 1HB TRP 55 -9.942 -9.542 1.923 434 2HB TRP 55 2HB TRP 55 -11.043 -9.363 0.561 435 HD1 TRP 55 HD1 TRP 55 -12.367 -11.459 -0.119 436 HE1 TRP 55 HE1 TRP 55 -12.280 -13.957 0.498 437 HE3 TRP 55 HE3 TRP 55 -8.060 -11.464 2.637 438 HZ2 TRP 55 HZ2 TRP 55 -10.605 -15.699 1.961 439 HZ3 TRP 55 HZ3 TRP 55 -7.285 -13.587 3.610 440 HH2 TRP 55 HH2 TRP 55 -8.532 -15.659 3.278
Contact the webmaster for help, if required. Sunday, June 16, 2024 10:26:47 AM GMT (wattos1)