NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7158 | 1k1c | 4972 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 2 1H VAL 2 -16.522 5.949 -2.335 2 2H VAL 2 2H VAL 2 -17.273 4.647 -3.088 3 3H VAL 2 3H VAL 2 -18.108 6.092 -2.877 4 HA VAL 2 HA VAL 2 -18.074 5.856 -0.542 5 HB VAL 2 HB VAL 2 -19.897 4.883 -1.937 6 1HG1 VAL 2 1HG2 VAL 2 -18.352 2.288 -1.551 7 2HG1 VAL 2 2HG2 VAL 2 -19.990 2.432 -2.234 8 3HG1 VAL 2 3HG2 VAL 2 -18.597 3.131 -3.096 9 1HG2 VAL 2 1HG1 VAL 2 -20.040 4.928 0.510 10 2HG2 VAL 2 2HG1 VAL 2 -20.830 3.477 -0.150 11 3HG2 VAL 2 3HG1 VAL 2 -19.220 3.350 0.595 12 H GLN 3 H GLN 3 -17.037 5.027 1.296 13 HA GLN 3 HA GLN 3 -14.807 3.175 0.631 14 1HB GLN 3 1HB GLN 3 -14.352 5.575 1.432 15 2HB GLN 3 2HB GLN 3 -15.019 5.070 2.994 16 1HG GLN 3 1HG GLN 3 -13.290 3.285 3.121 17 2HG GLN 3 2HG GLN 3 -12.595 3.853 1.585 18 1HE2 GLN 3 2HE2 GLN 3 -12.768 4.389 5.028 19 2HE2 GLN 3 1HE2 GLN 3 -11.755 5.817 5.032 20 H GLN 4 H GLN 4 -14.755 1.205 1.518 21 HA GLN 4 HA GLN 4 -15.782 0.905 4.280 22 1HB GLN 4 1HB GLN 4 -16.454 -0.861 1.908 23 2HB GLN 4 2HB GLN 4 -16.432 -1.498 3.565 24 1HG GLN 4 1HG GLN 4 -18.088 0.901 2.691 25 2HG GLN 4 2HG GLN 4 -18.700 -0.758 2.863 26 1HE2 GLN 4 2HE2 GLN 4 -17.429 2.062 4.616 27 2HE2 GLN 4 1HE2 GLN 4 -17.985 1.524 6.201 28 H LYS 5 H LYS 5 -14.569 -0.981 5.389 29 HA LYS 5 HA LYS 5 -12.205 -1.899 3.954 30 1HB LYS 5 1HB LYS 5 -10.829 -0.970 6.001 31 2HB LYS 5 2HB LYS 5 -11.199 0.039 4.594 32 1HG LYS 5 1HG LYS 5 -11.646 1.417 6.471 33 2HG LYS 5 2HG LYS 5 -13.229 0.907 5.822 34 1HD LYS 5 1HD LYS 5 -13.176 -0.974 7.558 35 2HD LYS 5 2HD LYS 5 -11.713 -0.178 8.213 36 1HE LYS 5 1HE LYS 5 -12.987 1.889 8.615 37 2HE LYS 5 2HE LYS 5 -14.451 1.131 7.952 38 1HZ LYS 5 1HZ LYS 5 -12.976 0.219 10.323 39 2HZ LYS 5 2HZ LYS 5 -14.408 1.034 10.331 40 3HZ LYS 5 3HZ LYS 5 -14.328 -0.489 9.704 41 H VAL 6 H VAL 6 -11.388 -3.741 4.819 42 HA VAL 6 HA VAL 6 -12.763 -4.724 7.281 43 HB VAL 6 HB VAL 6 -12.535 -7.020 6.337 44 1HG1 VAL 6 1HG2 VAL 6 -14.643 -5.743 6.137 45 2HG1 VAL 6 2HG2 VAL 6 -14.066 -5.035 4.609 46 3HG1 VAL 6 3HG2 VAL 6 -14.387 -6.784 4.714 47 1HG2 VAL 6 1HG1 VAL 6 -10.699 -6.557 4.730 48 2HG2 VAL 6 2HG1 VAL 6 -12.105 -7.297 3.928 49 3HG2 VAL 6 3HG1 VAL 6 -11.802 -5.550 3.766 50 H GLU 7 H GLU 7 -11.347 -4.939 8.953 51 HA GLU 7 HA GLU 7 -8.502 -4.775 8.240 52 1HB GLU 7 1HB GLU 7 -8.160 -4.742 10.752 53 2HB GLU 7 2HB GLU 7 -9.025 -3.355 10.077 54 1HG GLU 7 1HG GLU 7 -10.594 -5.699 11.164 55 2HG GLU 7 2HG GLU 7 -9.890 -4.493 12.264 56 H VAL 8 H VAL 8 -6.970 -6.169 8.444 57 HA VAL 8 HA VAL 8 -7.639 -8.964 9.213 58 HB VAL 8 HB VAL 8 -6.462 -9.627 7.070 59 1HG1 VAL 8 1HG2 VAL 8 -8.807 -7.724 6.652 60 2HG1 VAL 8 2HG2 VAL 8 -8.240 -8.971 5.505 61 3HG1 VAL 8 3HG2 VAL 8 -8.925 -9.456 7.075 62 1HG2 VAL 8 1HG1 VAL 8 -5.162 -7.513 6.864 63 2HG2 VAL 8 2HG1 VAL 8 -6.089 -7.848 5.380 64 3HG2 VAL 8 3HG1 VAL 8 -6.667 -6.617 6.543 65 H ARG 9 H ARG 9 -5.498 -10.218 9.515 66 HA ARG 9 HA ARG 9 -3.485 -8.246 10.500 67 1HB ARG 9 1HB ARG 9 -3.747 -9.877 12.156 68 2HB ARG 9 2HB ARG 9 -3.738 -11.231 10.984 69 1HG ARG 9 1HG ARG 9 -1.357 -9.407 11.212 70 2HG ARG 9 2HG ARG 9 -1.581 -10.684 12.417 71 1HD ARG 9 1HD ARG 9 -1.703 -12.405 10.673 72 2HD ARG 9 2HD ARG 9 -1.594 -11.182 9.403 73 HE ARG 9 HE ARG 9 0.691 -11.021 9.748 74 1HH1 ARG 9 1HH2 ARG 9 -0.809 -12.765 12.415 75 2HH1 ARG 9 2HH2 ARG 9 0.691 -13.334 13.095 76 1HH2 ARG 9 2HH1 ARG 9 2.684 -11.710 10.641 77 2HH2 ARG 9 1HH1 ARG 9 2.719 -12.704 12.069 78 H LEU 10 H LEU 10 -1.920 -7.680 9.253 79 HA LEU 10 HA LEU 10 -1.775 -8.783 6.624 80 1HB LEU 10 1HB LEU 10 -1.035 -6.405 7.787 81 2HB LEU 10 2HB LEU 10 0.542 -7.230 7.741 82 HG LEU 10 HG LEU 10 0.597 -6.297 5.658 83 1HD1 LEU 10 1HD2 LEU 10 -1.196 -8.711 5.174 84 2HD1 LEU 10 2HD2 LEU 10 -0.273 -7.847 3.912 85 3HD1 LEU 10 3HD2 LEU 10 0.585 -8.665 5.245 86 1HD2 LEU 10 1HD1 LEU 10 -1.573 -5.109 6.050 87 2HD2 LEU 10 2HD1 LEU 10 -1.495 -5.737 4.384 88 3HD2 LEU 10 3HD1 LEU 10 -2.458 -6.590 5.616 89 H LYS 11 H LYS 11 -1.449 -11.059 7.158 90 HA LYS 11 HA LYS 11 1.073 -11.914 8.269 91 1HB LYS 11 1HB LYS 11 -0.809 -13.351 8.395 92 2HB LYS 11 2HB LYS 11 -1.104 -13.278 6.633 93 1HG LYS 11 1HG LYS 11 1.560 -14.328 7.505 94 2HG LYS 11 2HG LYS 11 0.107 -15.358 7.683 95 1HD LYS 11 1HD LYS 11 1.084 -13.982 5.151 96 2HD LYS 11 2HD LYS 11 0.854 -15.729 5.454 97 1HE LYS 11 1HE LYS 11 -1.342 -13.592 5.437 98 2HE LYS 11 2HE LYS 11 -1.053 -14.771 4.138 99 1HZ LYS 11 1HZ LYS 11 -1.436 -16.512 5.806 100 2HZ LYS 11 2HZ LYS 11 -1.807 -15.370 6.933 101 3HZ LYS 11 3HZ LYS 11 -2.762 -15.575 5.613 102 H THR 12 H THR 12 -0.012 -10.994 5.097 103 HA THR 12 HA THR 12 2.163 -11.812 3.436 104 HB THR 12 HB THR 12 0.560 -9.229 3.341 105 HG1 THR 12 HG1 THR 12 -0.600 -11.383 3.443 106 1HG2 THR 12 1HG2 THR 12 1.841 -10.817 1.114 107 2HG2 THR 12 2HG2 THR 12 0.919 -9.309 0.958 108 3HG2 THR 12 3HG2 THR 12 2.492 -9.315 1.803 109 H GLY 13 H GLY 13 1.658 -9.172 5.769 110 1HA GLY 13 1HA GLY 13 2.443 -7.055 5.955 111 2HA GLY 13 2HA GLY 13 3.948 -7.895 6.291 112 H LEU 14 H LEU 14 2.110 -7.669 3.375 113 HA LEU 14 HA LEU 14 2.788 -7.197 1.169 114 1HB LEU 14 1HB LEU 14 2.249 -4.742 2.758 115 2HB LEU 14 2HB LEU 14 2.417 -4.718 0.980 116 HG LEU 14 HG LEU 14 0.839 -6.875 1.154 117 1HD1 LEU 14 1HD2 LEU 14 0.652 -6.716 3.629 118 2HD1 LEU 14 2HD2 LEU 14 -0.108 -5.123 3.450 119 3HD1 LEU 14 3HD2 LEU 14 -0.927 -6.570 2.815 120 1HD2 LEU 14 1HD1 LEU 14 0.327 -4.908 -0.208 121 2HD2 LEU 14 2HD1 LEU 14 -1.114 -5.486 0.658 122 3HD2 LEU 14 3HD1 LEU 14 -0.250 -4.042 1.235 123 H GLN 15 H GLN 15 4.962 -8.096 1.536 124 HA GLN 15 HA GLN 15 7.147 -6.144 1.858 125 1HB GLN 15 1HB GLN 15 7.146 -9.125 1.266 126 2HB GLN 15 2HB GLN 15 8.599 -8.151 1.605 127 1HG GLN 15 1HG GLN 15 7.826 -7.616 3.823 128 2HG GLN 15 2HG GLN 15 6.198 -8.222 3.469 129 1HE2 GLN 15 2HE2 GLN 15 5.690 -10.306 3.972 130 2HE2 GLN 15 1HE2 GLN 15 6.869 -11.518 4.430 131 H ALA 16 H ALA 16 5.760 -8.295 -0.707 132 HA ALA 16 HA ALA 16 5.992 -6.244 -2.673 133 1HB ALA 16 1HB ALA 16 8.418 -6.449 -2.292 134 2HB ALA 16 2HB ALA 16 8.338 -8.176 -2.723 135 3HB ALA 16 3HB ALA 16 7.970 -6.936 -3.947 136 H ARG 17 H ARG 17 6.525 -9.741 -2.295 137 HA ARG 17 HA ARG 17 5.981 -10.440 -5.025 138 1HB ARG 17 1HB ARG 17 7.229 -11.858 -3.518 139 2HB ARG 17 2HB ARG 17 5.815 -12.094 -2.476 140 1HG ARG 17 1HG ARG 17 5.699 -12.803 -5.418 141 2HG ARG 17 2HG ARG 17 6.444 -13.918 -4.257 142 1HD ARG 17 1HD ARG 17 3.622 -12.827 -3.947 143 2HD ARG 17 2HD ARG 17 4.025 -14.392 -4.679 144 HE ARG 17 HE ARG 17 5.317 -14.495 -2.257 145 1HH1 ARG 17 2HH1 ARG 17 1.980 -13.969 -3.291 146 2HH1 ARG 17 1HH1 ARG 17 1.281 -14.834 -1.939 147 1HH2 ARG 17 1HH2 ARG 17 4.457 -15.656 -0.579 148 2HH2 ARG 17 2HH2 ARG 17 2.730 -15.754 -0.290 149 HA PRO 18 HA PRO 18 1.491 -11.335 -3.858 150 1HB PRO 18 1HB PRO 18 0.620 -11.177 -1.270 151 2HB PRO 18 2HB PRO 18 1.622 -12.584 -1.773 152 1HG PRO 18 1HG PRO 18 2.620 -9.976 -0.564 153 2HG PRO 18 2HG PRO 18 2.902 -11.555 0.151 154 1HD PRO 18 1HD PRO 18 4.739 -10.528 -1.494 155 2HD PRO 18 2HD PRO 18 4.245 -12.225 -1.795 156 H ALA 19 H ALA 19 2.742 -8.888 -1.564 157 HA ALA 19 HA ALA 19 0.409 -7.331 -1.561 158 1HB ALA 19 1HB ALA 19 2.066 -7.327 0.158 159 2HB ALA 19 2HB ALA 19 3.268 -6.588 -0.936 160 3HB ALA 19 3HB ALA 19 1.785 -5.685 -0.473 161 H ALA 20 H ALA 20 3.090 -7.302 -3.893 162 HA ALA 20 HA ALA 20 2.421 -4.721 -5.020 163 1HB ALA 20 1HB ALA 20 3.614 -7.211 -6.321 164 2HB ALA 20 2HB ALA 20 3.603 -5.574 -7.021 165 3HB ALA 20 3HB ALA 20 4.536 -5.908 -5.541 166 H LEU 21 H LEU 21 1.297 -8.070 -5.420 167 HA LEU 21 HA LEU 21 -0.566 -7.537 -7.555 168 1HB LEU 21 1HB LEU 21 0.488 -9.742 -6.947 169 2HB LEU 21 2HB LEU 21 -0.573 -9.807 -5.525 170 HG LEU 21 HG LEU 21 -1.604 -9.435 -8.373 171 1HD1 LEU 21 1HD1 LEU 21 -1.238 -12.003 -6.777 172 2HD1 LEU 21 2HD1 LEU 21 -2.046 -11.871 -8.358 173 3HD1 LEU 21 3HD1 LEU 21 -0.303 -11.537 -8.219 174 1HD2 LEU 21 1HD2 LEU 21 -3.137 -8.874 -6.474 175 2HD2 LEU 21 2HD2 LEU 21 -3.698 -10.288 -7.397 176 3HD2 LEU 21 3HD2 LEU 21 -2.887 -10.517 -5.829 177 H PHE 22 H PHE 22 -0.629 -7.556 -3.985 178 HA PHE 22 HA PHE 22 -3.370 -7.186 -3.421 179 1HB PHE 22 1HB PHE 22 -0.851 -5.935 -2.252 180 2HB PHE 22 2HB PHE 22 -2.464 -5.564 -1.643 181 HD1 PHE 22 HD1 PHE 22 -2.623 -6.386 0.446 182 HD2 PHE 22 HD2 PHE 22 -1.032 -8.871 -2.683 183 HE1 PHE 22 HE1 PHE 22 -2.330 -8.255 2.076 184 HE2 PHE 22 HE2 PHE 22 -0.846 -10.768 -1.078 185 HZ PHE 22 HZ PHE 22 -1.364 -10.418 1.317 186 H VAL 23 H VAL 23 -0.898 -4.640 -3.651 187 HA VAL 23 HA VAL 23 -2.514 -2.362 -3.818 188 HB VAL 23 HB VAL 23 0.198 -3.146 -4.920 189 1HG1 VAL 23 1HG2 VAL 23 -1.088 -0.394 -5.077 190 2HG1 VAL 23 2HG2 VAL 23 0.617 -0.767 -5.423 191 3HG1 VAL 23 3HG2 VAL 23 -0.668 -1.439 -6.454 192 1HG2 VAL 23 1HG1 VAL 23 -0.119 -2.881 -2.478 193 2HG2 VAL 23 2HG1 VAL 23 0.954 -1.621 -3.106 194 3HG2 VAL 23 3HG1 VAL 23 -0.738 -1.241 -2.711 195 H GLN 24 H GLN 24 -1.263 -4.473 -6.422 196 HA GLN 24 HA GLN 24 -2.374 -3.187 -8.627 197 1HB GLN 24 1HB GLN 24 -0.658 -4.890 -8.673 198 2HB GLN 24 2HB GLN 24 -1.780 -6.113 -8.049 199 1HG GLN 24 1HG GLN 24 -2.794 -4.745 -10.429 200 2HG GLN 24 2HG GLN 24 -1.252 -5.573 -10.726 201 1HE2 GLN 24 2HE2 GLN 24 -3.011 -7.107 -8.141 202 2HE2 GLN 24 1HE2 GLN 24 -3.743 -8.353 -9.134 203 H GLU 25 H GLU 25 -3.961 -5.583 -6.467 204 HA GLU 25 HA GLU 25 -6.292 -5.794 -8.175 205 1HB GLU 25 1HB GLU 25 -5.823 -6.566 -5.238 206 2HB GLU 25 2HB GLU 25 -7.202 -7.114 -6.219 207 1HG GLU 25 1HG GLU 25 -4.324 -7.702 -6.937 208 2HG GLU 25 2HG GLU 25 -5.291 -8.769 -5.900 209 H ALA 26 H ALA 26 -5.584 -4.409 -4.975 210 HA ALA 26 HA ALA 26 -8.053 -3.157 -4.408 211 1HB ALA 26 1HB ALA 26 -5.223 -2.124 -3.980 212 2HB ALA 26 2HB ALA 26 -6.676 -1.542 -3.128 213 3HB ALA 26 3HB ALA 26 -6.101 -3.211 -2.872 214 H ASN 27 H ASN 27 -5.302 -2.171 -6.330 215 HA ASN 27 HA ASN 27 -6.151 0.324 -7.371 216 1HB ASN 27 1HB ASN 27 -4.113 -1.745 -7.774 217 2HB ASN 27 2HB ASN 27 -4.589 -0.999 -9.294 218 1HD2 ASN 27 2HD2 ASN 27 -2.492 -0.766 -6.802 219 2HD2 ASN 27 1HD2 ASN 27 -2.052 0.941 -6.782 220 H ARG 28 H ARG 28 -6.880 -2.989 -8.343 221 HA ARG 28 HA ARG 28 -7.575 -2.452 -11.152 222 1HB ARG 28 1HB ARG 28 -8.504 -4.575 -9.158 223 2HB ARG 28 2HB ARG 28 -8.872 -4.573 -10.892 224 1HG ARG 28 1HG ARG 28 -6.441 -4.749 -11.393 225 2HG ARG 28 2HG ARG 28 -6.092 -4.833 -9.657 226 1HD ARG 28 1HD ARG 28 -7.391 -6.905 -9.453 227 2HD ARG 28 2HD ARG 28 -8.024 -6.696 -11.103 228 HE ARG 28 HE ARG 28 -5.150 -6.852 -11.118 229 1HH1 ARG 28 1HH2 ARG 28 -8.063 -8.791 -10.775 230 2HH1 ARG 28 2HH2 ARG 28 -7.389 -10.214 -11.524 231 1HH2 ARG 28 2HH1 ARG 28 -4.205 -8.680 -11.966 232 2HH2 ARG 28 1HH1 ARG 28 -5.107 -10.162 -12.217 233 H PHE 29 H PHE 29 -9.091 -2.942 -8.068 234 HA PHE 29 HA PHE 29 -11.757 -2.184 -8.526 235 1HB PHE 29 1HB PHE 29 -9.783 -2.053 -6.236 236 2HB PHE 29 2HB PHE 29 -11.469 -1.649 -6.019 237 HD1 PHE 29 HD1 PHE 29 -12.758 -3.615 -7.878 238 HD2 PHE 29 HD2 PHE 29 -9.476 -4.162 -5.160 239 HE1 PHE 29 HE1 PHE 29 -12.950 -6.065 -8.161 240 HE2 PHE 29 HE2 PHE 29 -9.757 -6.624 -5.332 241 HZ PHE 29 HZ PHE 29 -11.404 -7.574 -6.950 242 H THR 30 H THR 30 -12.631 -0.351 -9.017 243 HA THR 30 HA THR 30 -11.012 2.081 -9.344 244 HB THR 30 HB THR 30 -13.946 1.436 -9.821 245 HG1 THR 30 HG1 THR 30 -12.085 0.477 -11.102 246 1HG2 THR 30 1HG2 THR 30 -12.316 3.842 -10.701 247 2HG2 THR 30 2HG2 THR 30 -14.016 3.486 -11.140 248 3HG2 THR 30 3HG2 THR 30 -13.584 3.828 -9.443 249 H SER 31 H SER 31 -10.723 1.621 -6.838 250 HA SER 31 HA SER 31 -12.609 3.319 -5.320 251 1HB SER 31 1HB SER 31 -11.153 0.810 -4.406 252 2HB SER 31 2HB SER 31 -12.445 1.670 -3.536 253 HG SER 31 HG SER 31 -13.042 -0.309 -4.739 254 H ASP 32 H ASP 32 -11.748 4.648 -3.830 255 HA ASP 32 HA ASP 32 -8.881 5.159 -3.731 256 1HB ASP 32 1HB ASP 32 -11.233 6.028 -1.986 257 2HB ASP 32 2HB ASP 32 -9.588 6.678 -1.863 258 H VAL 33 H VAL 33 -8.277 2.905 -3.291 259 HA VAL 33 HA VAL 33 -9.326 1.667 -0.903 260 HB VAL 33 HB VAL 33 -7.952 -0.215 -1.451 261 1HG1 VAL 33 1HG2 VAL 33 -8.988 1.209 -3.936 262 2HG1 VAL 33 2HG2 VAL 33 -8.640 -0.535 -3.836 263 3HG1 VAL 33 3HG2 VAL 33 -9.938 0.180 -2.840 264 1HG2 VAL 33 1HG1 VAL 33 -5.883 1.066 -1.888 265 2HG2 VAL 33 2HG1 VAL 33 -6.214 -0.119 -3.182 266 3HG2 VAL 33 3HG1 VAL 33 -6.555 1.610 -3.448 267 H PHE 34 H PHE 34 -8.137 0.909 0.865 268 HA PHE 34 HA PHE 34 -5.746 2.468 1.542 269 1HB PHE 34 1HB PHE 34 -8.234 2.604 3.297 270 2HB PHE 34 2HB PHE 34 -6.621 3.169 3.709 271 HD1 PHE 34 HD1 PHE 34 -9.558 3.836 1.525 272 HD2 PHE 34 HD2 PHE 34 -5.706 5.202 2.856 273 HE1 PHE 34 HE1 PHE 34 -10.086 6.103 0.707 274 HE2 PHE 34 HE2 PHE 34 -6.232 7.493 2.026 275 HZ PHE 34 HZ PHE 34 -8.443 7.954 0.991 276 H LEU 35 H LEU 35 -5.016 1.825 3.796 277 HA LEU 35 HA LEU 35 -5.859 -0.805 4.717 278 1HB LEU 35 1HB LEU 35 -4.108 -1.284 2.998 279 2HB LEU 35 2HB LEU 35 -2.944 -0.310 3.941 280 HG LEU 35 HG LEU 35 -3.339 -1.822 5.892 281 1HD1 LEU 35 1HD2 LEU 35 -5.122 -3.316 3.916 282 2HD1 LEU 35 2HD2 LEU 35 -4.708 -3.869 5.556 283 3HD1 LEU 35 3HD2 LEU 35 -5.688 -2.401 5.333 284 1HD2 LEU 35 1HD1 LEU 35 -2.722 -3.309 3.301 285 2HD2 LEU 35 2HD1 LEU 35 -1.549 -2.385 4.272 286 3HD2 LEU 35 3HD1 LEU 35 -2.295 -3.858 4.939 287 H GLU 36 H GLU 36 -6.078 -0.461 6.788 288 HA GLU 36 HA GLU 36 -4.583 1.849 7.946 289 1HB GLU 36 1HB GLU 36 -7.122 1.031 9.148 290 2HB GLU 36 2HB GLU 36 -6.576 2.666 8.756 291 1HG GLU 36 1HG GLU 36 -7.281 2.396 6.452 292 2HG GLU 36 2HG GLU 36 -7.595 0.672 6.699 293 H LYS 37 H LYS 37 -3.010 0.947 9.187 294 HA LYS 37 HA LYS 37 -3.076 -1.694 10.339 295 1HB LYS 37 1HB LYS 37 -1.373 0.786 10.749 296 2HB LYS 37 2HB LYS 37 -1.117 -0.713 11.658 297 1HG LYS 37 1HG LYS 37 -0.770 -2.003 9.640 298 2HG LYS 37 2HG LYS 37 -1.024 -0.546 8.670 299 1HD LYS 37 1HD LYS 37 1.444 -0.991 9.107 300 2HD LYS 37 2HD LYS 37 0.909 0.526 9.877 301 1HE LYS 37 1HE LYS 37 0.413 -0.815 11.962 302 2HE LYS 37 2HE LYS 37 1.174 -2.215 11.185 303 1HZ LYS 37 1HZ LYS 37 3.177 -0.913 10.985 304 2HZ LYS 37 2HZ LYS 37 2.480 0.363 11.763 305 3HZ LYS 37 3HZ LYS 37 2.726 -1.057 12.568 306 H ASP 38 H ASP 38 -4.917 -2.008 11.605 307 HA ASP 38 HA ASP 38 -6.346 -1.778 13.336 308 1HB ASP 38 1HB ASP 38 -3.779 -0.806 14.615 309 2HB ASP 38 2HB ASP 38 -5.291 -1.065 15.513 310 H GLY 39 H GLY 39 -6.157 0.383 11.367 311 1HA GLY 39 1HA GLY 39 -7.765 2.319 11.654 312 2HA GLY 39 2HA GLY 39 -6.880 2.648 13.161 313 H LYS 40 H LYS 40 -4.214 1.955 11.772 314 HA LYS 40 HA LYS 40 -3.599 4.657 10.956 315 1HB LYS 40 1HB LYS 40 -2.008 2.085 10.670 316 2HB LYS 40 2HB LYS 40 -1.359 3.739 10.680 317 1HG LYS 40 1HG LYS 40 -2.218 3.947 13.068 318 2HG LYS 40 2HG LYS 40 -2.638 2.209 12.993 319 1HD LYS 40 1HD LYS 40 -0.375 2.582 13.994 320 2HD LYS 40 2HD LYS 40 -0.319 1.628 12.492 321 1HE LYS 40 1HE LYS 40 0.184 3.703 11.210 322 2HE LYS 40 2HE LYS 40 0.182 4.631 12.721 323 1HZ LYS 40 1HZ LYS 40 2.010 3.266 13.475 324 2HZ LYS 40 2HZ LYS 40 2.008 2.419 12.061 325 3HZ LYS 40 3HZ LYS 40 2.394 4.018 12.060 326 H LYS 41 H LYS 41 -5.275 4.669 9.137 327 HA LYS 41 HA LYS 41 -4.657 2.854 6.995 328 1HB LYS 41 1HB LYS 41 -6.671 3.100 6.428 329 2HB LYS 41 2HB LYS 41 -6.922 4.209 7.760 330 1HG LYS 41 1HG LYS 41 -6.108 4.944 4.934 331 2HG LYS 41 2HG LYS 41 -7.768 5.009 5.520 332 1HD LYS 41 1HD LYS 41 -7.300 6.722 7.124 333 2HD LYS 41 2HD LYS 41 -5.543 6.486 6.982 334 1HE LYS 41 1HE LYS 41 -7.247 7.503 4.675 335 2HE LYS 41 2HE LYS 41 -6.425 8.555 5.851 336 1HZ LYS 41 1HZ LYS 41 -4.364 7.447 5.276 337 2HZ LYS 41 2HZ LYS 41 -5.133 6.610 4.086 338 3HZ LYS 41 3HZ LYS 41 -5.030 8.258 3.994 339 H VAL 42 H VAL 42 -4.190 3.277 4.903 340 HA VAL 42 HA VAL 42 -3.242 5.866 3.848 341 HB VAL 42 HB VAL 42 -1.147 4.679 3.006 342 1HG1 VAL 42 1HG1 VAL 42 -1.402 5.033 6.013 343 2HG1 VAL 42 2HG1 VAL 42 0.130 4.949 5.104 344 3HG1 VAL 42 3HG1 VAL 42 -0.996 6.303 4.830 345 1HG2 VAL 42 1HG2 VAL 42 -2.038 2.398 3.430 346 2HG2 VAL 42 2HG2 VAL 42 -0.445 2.639 4.202 347 3HG2 VAL 42 3HG2 VAL 42 -1.936 2.697 5.179 348 H ASN 43 H ASN 43 -2.820 5.641 1.434 349 HA ASN 43 HA ASN 43 -4.977 4.096 0.319 350 1HB ASN 43 1HB ASN 43 -2.745 5.774 -0.843 351 2HB ASN 43 2HB ASN 43 -3.778 4.766 -1.872 352 1HD2 ASN 43 2HD2 ASN 43 -6.266 4.885 -0.958 353 2HD2 ASN 43 1HD2 ASN 43 -6.822 6.542 -0.815 354 H ALA 44 H ALA 44 -4.958 2.171 0.426 355 HA ALA 44 HA ALA 44 -3.050 0.224 0.812 356 1HB ALA 44 1HB ALA 44 -5.600 0.024 -0.854 357 2HB ALA 44 2HB ALA 44 -4.738 -1.355 -0.141 358 3HB ALA 44 3HB ALA 44 -5.508 -0.144 0.912 359 H LYS 45 H LYS 45 -4.200 1.509 -2.250 360 HA LYS 45 HA LYS 45 -2.616 -0.356 -3.881 361 1HB LYS 45 1HB LYS 45 -3.680 0.906 -5.731 362 2HB LYS 45 2HB LYS 45 -4.873 0.256 -4.586 363 1HG LYS 45 1HG LYS 45 -5.212 2.446 -3.592 364 2HG LYS 45 2HG LYS 45 -3.773 3.093 -4.418 365 1HD LYS 45 1HD LYS 45 -5.788 3.771 -5.676 366 2HD LYS 45 2HD LYS 45 -4.768 2.625 -6.586 367 1HE LYS 45 1HE LYS 45 -6.269 0.755 -5.830 368 2HE LYS 45 2HE LYS 45 -7.328 1.943 -5.042 369 1HZ LYS 45 1HZ LYS 45 -6.728 1.877 -7.913 370 2HZ LYS 45 2HZ LYS 45 -8.109 1.319 -7.205 371 3HZ LYS 45 3HZ LYS 45 -7.747 2.923 -7.142 372 H SER 46 H SER 46 -1.898 2.381 -2.190 373 HA SER 46 HA SER 46 -0.014 3.568 -4.106 374 1HB SER 46 1HB SER 46 -1.182 4.348 -1.409 375 2HB SER 46 2HB SER 46 0.035 5.316 -2.262 376 HG SER 46 HG SER 46 -1.536 5.368 -4.051 377 H ILE 47 H ILE 47 2.018 4.276 -3.315 378 HA ILE 47 HA ILE 47 3.773 2.431 -2.383 379 HB ILE 47 HB ILE 47 4.268 4.599 -3.454 380 1HG1 ILE 47 1HG1 ILE 47 6.020 3.205 -2.295 381 2HG1 ILE 47 2HG1 ILE 47 6.403 4.927 -2.495 382 1HG2 ILE 47 1HG2 ILE 47 2.819 6.042 -2.045 383 2HG2 ILE 47 2HG2 ILE 47 3.896 5.760 -0.666 384 3HG2 ILE 47 3HG2 ILE 47 4.496 6.646 -2.084 385 1HD1 ILE 47 1HD1 ILE 47 5.733 5.363 -0.161 386 2HD1 ILE 47 2HD1 ILE 47 5.379 3.632 0.057 387 3HD1 ILE 47 3HD1 ILE 47 7.046 4.165 -0.258 388 H MET 48 H MET 48 2.358 4.980 -0.235 389 HA MET 48 HA MET 48 3.571 3.821 2.106 390 1HB MET 48 1HB MET 48 3.153 6.184 1.942 391 2HB MET 48 2HB MET 48 1.415 5.925 1.696 392 1HG MET 48 1HG MET 48 1.233 4.942 3.938 393 2HG MET 48 2HG MET 48 2.993 4.990 4.123 394 1HE MET 48 1HE MET 48 4.411 7.052 4.484 395 2HE MET 48 2HE MET 48 3.773 7.767 2.985 396 3HE MET 48 3HE MET 48 3.807 8.729 4.485 397 H GLY 49 H GLY 49 0.647 3.120 0.340 398 1HA GLY 49 1HA GLY 49 -0.880 2.043 2.564 399 2HA GLY 49 2HA GLY 49 -1.166 1.782 0.815 400 H LEU 50 H LEU 50 1.183 0.764 -0.130 401 HA LEU 50 HA LEU 50 1.308 -1.887 0.883 402 1HB LEU 50 1HB LEU 50 2.154 -0.340 -1.298 403 2HB LEU 50 2HB LEU 50 3.649 -0.964 -0.561 404 HG LEU 50 HG LEU 50 2.448 -2.504 -2.342 405 1HD1 LEU 50 1HD2 LEU 50 4.366 -3.087 -0.878 406 2HD1 LEU 50 2HD2 LEU 50 3.225 -3.484 0.431 407 3HD1 LEU 50 3HD2 LEU 50 3.230 -4.456 -1.067 408 1HD2 LEU 50 1HD1 LEU 50 0.199 -2.359 -1.180 409 2HD2 LEU 50 2HD1 LEU 50 0.814 -4.026 -1.321 410 3HD2 LEU 50 3HD1 LEU 50 0.929 -3.159 0.230 411 H MET 51 H MET 51 3.953 0.468 0.568 412 HA MET 51 HA MET 51 5.810 -1.093 1.933 413 1HB MET 51 1HB MET 51 6.286 0.688 0.235 414 2HB MET 51 2HB MET 51 5.818 1.906 1.440 415 1HG MET 51 1HG MET 51 7.595 0.947 2.965 416 2HG MET 51 2HG MET 51 8.133 -0.055 1.608 417 1HE MET 51 1HE MET 51 6.753 3.584 1.632 418 2HE MET 51 2HE MET 51 7.774 3.539 3.093 419 3HE MET 51 3HE MET 51 8.245 4.556 1.708 420 H SER 52 H SER 52 3.684 1.532 3.030 421 HA SER 52 HA SER 52 5.117 1.635 5.603 422 1HB SER 52 1HB SER 52 2.626 3.115 4.705 423 2HB SER 52 2HB SER 52 3.590 3.462 6.166 424 HG SER 52 HG SER 52 5.395 3.766 4.647 425 H LEU 53 H LEU 53 1.627 1.334 4.861 426 HA LEU 53 HA LEU 53 1.188 0.236 7.514 427 1HB LEU 53 1HB LEU 53 -0.583 0.800 5.178 428 2HB LEU 53 2HB LEU 53 -1.166 0.030 6.676 429 HG LEU 53 HG LEU 53 -1.487 2.391 6.949 430 1HD1 LEU 53 1HD1 LEU 53 -0.700 1.155 8.926 431 2HD1 LEU 53 2HD1 LEU 53 0.985 1.532 8.483 432 3HD1 LEU 53 3HD1 LEU 53 -0.133 2.841 8.939 433 1HD2 LEU 53 1HD2 LEU 53 0.202 3.187 5.290 434 2HD2 LEU 53 2HD2 LEU 53 0.351 4.024 6.857 435 3HD2 LEU 53 3HD2 LEU 53 1.493 2.728 6.427 436 H ALA 54 H ALA 54 0.581 -1.036 4.237 437 HA ALA 54 HA ALA 54 -0.200 -3.621 4.888 438 1HB ALA 54 1HB ALA 54 -0.415 -2.508 2.655 439 2HB ALA 54 2HB ALA 54 1.346 -2.581 2.463 440 3HB ALA 54 3HB ALA 54 0.399 -4.081 2.502 441 H VAL 55 H VAL 55 3.059 -2.346 4.363 442 HA VAL 55 HA VAL 55 4.385 -4.853 4.534 443 HB VAL 55 HB VAL 55 5.353 -1.988 4.949 444 1HG1 VAL 55 1HG2 VAL 55 7.006 -4.532 4.599 445 2HG1 VAL 55 2HG2 VAL 55 7.640 -2.868 4.648 446 3HG1 VAL 55 3HG2 VAL 55 6.896 -3.586 6.101 447 1HG2 VAL 55 1HG1 VAL 55 4.560 -2.571 2.693 448 2HG2 VAL 55 2HG1 VAL 55 6.323 -2.311 2.722 449 3HG2 VAL 55 3HG1 VAL 55 5.665 -3.964 2.662 450 H SER 56 H SER 56 2.771 -3.202 7.022 451 HA SER 56 HA SER 56 4.614 -4.120 9.076 452 1HB SER 56 1HB SER 56 1.827 -2.888 9.135 453 2HB SER 56 2HB SER 56 2.839 -3.159 10.570 454 HG SER 56 HG SER 56 3.527 -1.508 8.309 455 H THR 57 H THR 57 4.423 -6.347 7.932 456 HA THR 57 HA THR 57 2.484 -8.153 8.088 457 HB THR 57 HB THR 57 5.113 -8.839 9.369 458 HG1 THR 57 HG1 THR 57 6.025 -8.741 7.239 459 1HG2 THR 57 1HG2 THR 57 3.399 -10.022 7.136 460 2HG2 THR 57 2HG2 THR 57 4.852 -10.787 7.828 461 3HG2 THR 57 3HG2 THR 57 3.396 -10.556 8.827 462 H GLY 58 H GLY 58 1.034 -8.737 9.524 463 1HA GLY 58 1HA GLY 58 0.457 -9.840 11.587 464 2HA GLY 58 2HA GLY 58 1.837 -9.065 12.375 465 H THR 59 H THR 59 0.583 -6.518 10.690 466 HA THR 59 HA THR 59 -0.784 -5.598 13.117 467 HB THR 59 HB THR 59 -0.566 -4.210 10.415 468 HG1 THR 59 HG1 THR 59 1.486 -4.734 11.266 469 1HG2 THR 59 1HG2 THR 59 -0.900 -3.125 13.246 470 2HG2 THR 59 2HG2 THR 59 -0.858 -2.165 11.749 471 3HG2 THR 59 3HG2 THR 59 -2.213 -3.279 12.060 472 H GLU 60 H GLU 60 -3.066 -5.221 13.304 473 HA GLU 60 HA GLU 60 -4.649 -6.767 11.346 474 1HB GLU 60 1HB GLU 60 -5.702 -5.210 13.727 475 2HB GLU 60 2HB GLU 60 -6.443 -6.590 12.857 476 1HG GLU 60 1HG GLU 60 -3.856 -6.801 14.444 477 2HG GLU 60 2HG GLU 60 -5.457 -7.192 15.105 478 H VAL 61 H VAL 61 -4.151 -5.401 9.601 479 HA VAL 61 HA VAL 61 -5.025 -2.575 9.858 480 HB VAL 61 HB VAL 61 -3.668 -2.079 7.955 481 1HG1 VAL 61 1HG1 VAL 61 -2.272 -4.182 9.686 482 2HG1 VAL 61 2HG1 VAL 61 -1.448 -2.940 8.710 483 3HG1 VAL 61 3HG1 VAL 61 -2.432 -2.465 10.117 484 1HG2 VAL 61 1HG2 VAL 61 -4.114 -4.132 6.623 485 2HG2 VAL 61 2HG2 VAL 61 -2.363 -3.803 6.801 486 3HG2 VAL 61 3HG2 VAL 61 -3.134 -5.067 7.795 487 H THR 62 H THR 62 -6.777 -1.824 9.003 488 HA THR 62 HA THR 62 -8.626 -3.625 7.725 489 HB THR 62 HB THR 62 -9.012 -0.642 7.867 490 HG1 THR 62 HG1 THR 62 -9.314 -0.737 10.046 491 1HG2 THR 62 1HG2 THR 62 -11.271 -1.392 8.696 492 2HG2 THR 62 2HG2 THR 62 -10.883 -2.029 7.087 493 3HG2 THR 62 3HG2 THR 62 -10.733 -3.071 8.522 494 H LEU 63 H LEU 63 -8.544 -4.100 5.563 495 HA LEU 63 HA LEU 63 -7.306 -2.065 3.840 496 1HB LEU 63 1HB LEU 63 -6.811 -4.529 3.615 497 2HB LEU 63 2HB LEU 63 -8.422 -4.712 2.866 498 HG LEU 63 HG LEU 63 -6.574 -2.480 1.986 499 1HD1 LEU 63 1HD2 LEU 63 -6.350 -5.373 1.082 500 2HD1 LEU 63 2HD2 LEU 63 -5.514 -3.987 0.342 501 3HD1 LEU 63 3HD2 LEU 63 -5.140 -4.462 2.015 502 1HD2 LEU 63 1HD1 LEU 63 -8.601 -4.252 0.551 503 2HD2 LEU 63 2HD1 LEU 63 -8.869 -2.579 1.101 504 3HD2 LEU 63 3HD1 LEU 63 -7.694 -2.911 -0.191 505 H ILE 64 H ILE 64 -8.346 -0.561 3.099 506 HA ILE 64 HA ILE 64 -11.300 -0.417 3.011 507 HB ILE 64 HB ILE 64 -9.075 1.637 2.559 508 1HG1 ILE 64 1HG1 ILE 64 -10.881 1.189 4.954 509 2HG1 ILE 64 2HG1 ILE 64 -9.101 1.091 4.913 510 1HG2 ILE 64 1HG2 ILE 64 -12.077 2.000 2.820 511 2HG2 ILE 64 2HG2 ILE 64 -10.877 3.311 2.701 512 3HG2 ILE 64 3HG2 ILE 64 -11.117 2.195 1.334 513 1HD1 ILE 64 1HD1 ILE 64 -9.083 3.527 4.213 514 2HD1 ILE 64 2HD1 ILE 64 -10.852 3.543 4.402 515 3HD1 ILE 64 3HD1 ILE 64 -9.807 3.258 5.826 516 H ALA 65 H ALA 65 -12.326 0.329 1.169 517 HA ALA 65 HA ALA 65 -10.847 0.978 -1.215 518 1HB ALA 65 1HB ALA 65 -12.905 -1.276 -1.202 519 2HB ALA 65 2HB ALA 65 -12.193 -0.546 -2.662 520 3HB ALA 65 3HB ALA 65 -11.168 -1.477 -1.538 521 H GLN 66 H GLN 66 -11.570 2.894 -1.394 522 HA GLN 66 HA GLN 66 -14.441 3.345 -0.853 523 1HB GLN 66 1HB GLN 66 -12.620 4.562 0.513 524 2HB GLN 66 2HB GLN 66 -11.966 5.189 -1.000 525 1HG GLN 66 1HG GLN 66 -14.568 5.940 -1.198 526 2HG GLN 66 2HG GLN 66 -14.342 6.013 0.556 527 1HE2 GLN 66 2HE2 GLN 66 -12.017 7.133 1.122 528 2HE2 GLN 66 1HE2 GLN 66 -11.716 8.601 0.209 529 H GLY 67 H GLY 67 -14.640 2.213 -2.964 530 1HA GLY 67 1HA GLY 67 -14.548 4.205 -5.171 531 2HA GLY 67 2HA GLY 67 -13.657 2.705 -5.330 532 H GLU 68 H GLU 68 -15.063 2.740 -7.186 533 HA GLU 68 HA GLU 68 -17.745 1.947 -7.315 534 1HB GLU 68 1HB GLU 68 -15.393 0.863 -8.923 535 2HB GLU 68 2HB GLU 68 -17.083 0.977 -9.447 536 1HG GLU 68 1HG GLU 68 -15.134 3.259 -8.933 537 2HG GLU 68 2HG GLU 68 -15.866 2.795 -10.482 538 H ASP 69 H ASP 69 -14.757 0.116 -6.498 539 HA ASP 69 HA ASP 69 -16.442 -2.288 -5.933 540 1HB ASP 69 1HB ASP 69 -13.488 -2.308 -6.361 541 2HB ASP 69 2HB ASP 69 -14.619 -3.655 -6.385 542 H GLU 70 H GLU 70 -16.410 -0.052 -4.109 543 HA GLU 70 HA GLU 70 -14.495 0.046 -2.187 544 1HB GLU 70 1HB GLU 70 -16.532 1.397 -2.235 545 2HB GLU 70 2HB GLU 70 -17.530 -0.068 -2.152 546 1HG GLU 70 1HG GLU 70 -16.376 -0.484 0.139 547 2HG GLU 70 2HG GLU 70 -15.983 1.250 0.054 548 H GLN 71 H GLN 71 -17.419 -1.846 -1.528 549 HA GLN 71 HA GLN 71 -16.438 -3.527 0.389 550 1HB GLN 71 1HB GLN 71 -18.800 -3.381 -0.145 551 2HB GLN 71 2HB GLN 71 -18.515 -4.060 -1.759 552 1HG GLN 71 1HG GLN 71 -19.466 -5.758 -0.304 553 2HG GLN 71 2HG GLN 71 -17.808 -6.208 -0.743 554 1HE2 GLN 71 2HE2 GLN 71 -16.089 -5.873 0.898 555 2HE2 GLN 71 1HE2 GLN 71 -16.559 -5.903 2.596 556 H GLU 72 H GLU 72 -16.373 -4.153 -3.140 557 HA GLU 72 HA GLU 72 -15.506 -6.846 -3.087 558 1HB GLU 72 1HB GLU 72 -16.486 -5.841 -5.040 559 2HB GLU 72 2HB GLU 72 -15.324 -4.495 -5.002 560 1HG GLU 72 1HG GLU 72 -14.775 -5.982 -6.790 561 2HG GLU 72 2HG GLU 72 -13.495 -6.027 -5.567 562 H ALA 73 H ALA 73 -13.714 -3.769 -3.548 563 HA ALA 73 HA ALA 73 -11.141 -4.911 -3.821 564 1HB ALA 73 1HB ALA 73 -12.278 -2.254 -2.925 565 2HB ALA 73 2HB ALA 73 -10.558 -2.471 -3.381 566 3HB ALA 73 3HB ALA 73 -11.883 -2.711 -4.576 567 H LEU 74 H LEU 74 -12.680 -3.199 -1.085 568 HA LEU 74 HA LEU 74 -10.553 -3.393 0.720 569 1HB LEU 74 1HB LEU 74 -12.249 -2.799 2.392 570 2HB LEU 74 2HB LEU 74 -12.499 -1.944 0.845 571 HG LEU 74 HG LEU 74 -14.084 -3.899 0.259 572 1HD1 LEU 74 1HD2 LEU 74 -14.222 -3.887 3.303 573 2HD1 LEU 74 2HD2 LEU 74 -15.377 -4.672 2.189 574 3HD1 LEU 74 3HD2 LEU 74 -13.701 -5.252 2.272 575 1HD2 LEU 74 1HD1 LEU 74 -14.656 -1.552 0.440 576 2HD2 LEU 74 2HD1 LEU 74 -15.939 -2.579 1.103 577 3HD2 LEU 74 3HD1 LEU 74 -14.839 -1.704 2.209 578 H GLU 75 H GLU 75 -13.333 -5.672 0.332 579 HA GLU 75 HA GLU 75 -12.435 -7.298 2.495 580 1HB GLU 75 1HB GLU 75 -14.108 -8.921 1.691 581 2HB GLU 75 2HB GLU 75 -14.769 -7.279 1.822 582 1HG GLU 75 1HG GLU 75 -14.468 -6.960 -0.606 583 2HG GLU 75 2HG GLU 75 -13.758 -8.564 -0.742 584 H LYS 76 H LYS 76 -11.972 -7.727 -1.111 585 HA LYS 76 HA LYS 76 -10.695 -10.275 -0.518 586 1HB LYS 76 1HB LYS 76 -9.971 -10.196 -2.876 587 2HB LYS 76 2HB LYS 76 -11.735 -10.132 -2.640 588 1HG LYS 76 1HG LYS 76 -11.740 -7.746 -3.091 589 2HG LYS 76 2HG LYS 76 -9.962 -7.705 -3.204 590 1HD LYS 76 1HD LYS 76 -11.624 -9.606 -4.902 591 2HD LYS 76 2HD LYS 76 -11.421 -7.918 -5.365 592 1HE LYS 76 1HE LYS 76 -9.743 -9.309 -6.501 593 2HE LYS 76 2HE LYS 76 -8.959 -8.170 -5.397 594 1HZ LYS 76 1HZ LYS 76 -9.502 -10.997 -4.815 595 2HZ LYS 76 2HZ LYS 76 -8.043 -10.371 -5.255 596 3HZ LYS 76 3HZ LYS 76 -8.726 -9.935 -3.821 597 H LEU 77 H LEU 77 -9.560 -6.960 -1.085 598 HA LEU 77 HA LEU 77 -6.791 -7.695 -1.200 599 1HB LEU 77 1HB LEU 77 -8.275 -5.134 -0.640 600 2HB LEU 77 2HB LEU 77 -6.501 -5.245 -0.507 601 HG LEU 77 HG LEU 77 -6.942 -4.523 -2.776 602 1HD1 LEU 77 1HD2 LEU 77 -5.235 -6.324 -2.465 603 2HD1 LEU 77 2HD2 LEU 77 -6.543 -7.529 -2.703 604 3HD1 LEU 77 3HD2 LEU 77 -6.091 -6.445 -4.042 605 1HD2 LEU 77 1HD1 LEU 77 -8.621 -7.036 -3.013 606 2HD2 LEU 77 2HD1 LEU 77 -9.287 -5.378 -2.984 607 3HD2 LEU 77 3HD1 LEU 77 -8.226 -5.905 -4.336 608 H ALA 78 H ALA 78 -8.835 -6.576 1.624 609 HA ALA 78 HA ALA 78 -6.670 -6.866 3.481 610 1HB ALA 78 1HB ALA 78 -8.813 -5.726 4.070 611 2HB ALA 78 2HB ALA 78 -9.647 -7.301 3.969 612 3HB ALA 78 3HB ALA 78 -8.406 -7.028 5.204 613 H ALA 79 H ALA 79 -9.112 -9.118 2.204 614 HA ALA 79 HA ALA 79 -8.695 -11.393 3.807 615 1HB ALA 79 1HB ALA 79 -10.407 -11.137 1.979 616 2HB ALA 79 2HB ALA 79 -9.078 -11.217 0.789 617 3HB ALA 79 3HB ALA 79 -9.447 -12.635 1.801 618 H TYR 80 H TYR 80 -7.183 -10.465 0.743 619 HA TYR 80 HA TYR 80 -5.366 -12.421 0.260 620 1HB TYR 80 1HB TYR 80 -6.154 -10.273 -0.887 621 2HB TYR 80 2HB TYR 80 -4.816 -9.474 -0.064 622 HD1 TYR 80 HD1 TYR 80 -3.688 -12.733 -0.632 623 HD2 TYR 80 HD2 TYR 80 -4.577 -9.104 -2.768 624 HE1 TYR 80 HE1 TYR 80 -2.096 -13.398 -2.397 625 HE2 TYR 80 HE2 TYR 80 -2.946 -9.752 -4.533 626 HH TYR 80 HH TYR 80 -1.153 -12.832 -4.422 627 H VAL 81 H VAL 81 -4.994 -9.753 2.615 628 HA VAL 81 HA VAL 81 -2.138 -9.984 2.821 629 HB VAL 81 HB VAL 81 -2.288 -8.265 4.354 630 1HG1 VAL 81 1HG1 VAL 81 -3.608 -7.571 2.328 631 2HG1 VAL 81 2HG1 VAL 81 -5.074 -8.165 3.124 632 3HG1 VAL 81 3HG1 VAL 81 -4.196 -6.785 3.821 633 1HG2 VAL 81 1HG2 VAL 81 -3.452 -9.632 6.072 634 2HG2 VAL 81 2HG2 VAL 81 -4.114 -7.978 5.979 635 3HG2 VAL 81 3HG2 VAL 81 -4.988 -9.338 5.235 636 H GLN 82 H GLN 82 -4.914 -11.432 4.519 637 HA GLN 82 HA GLN 82 -2.960 -12.655 6.361 638 1HB GLN 82 1HB GLN 82 -4.867 -12.685 7.881 639 2HB GLN 82 2HB GLN 82 -4.668 -11.057 7.209 640 1HG GLN 82 1HG GLN 82 -6.473 -11.510 5.607 641 2HG GLN 82 2HG GLN 82 -6.628 -13.125 6.268 642 1HE2 GLN 82 2HE2 GLN 82 -8.723 -11.597 6.340 643 2HE2 GLN 82 1HE2 GLN 82 -9.177 -11.088 7.974 644 H GLU 83 H GLU 83 -4.655 -13.487 3.619 645 HA GLU 83 HA GLU 83 -5.946 -15.846 4.673 646 1HB GLU 83 1HB GLU 83 -7.012 -15.929 2.516 647 2HB GLU 83 2HB GLU 83 -6.903 -14.235 3.090 648 1HG GLU 83 1HG GLU 83 -4.928 -13.869 1.658 649 2HG GLU 83 2HG GLU 83 -5.027 -15.541 1.071 650 H GLU 84 H GLU 84 -2.971 -15.364 2.738 651 HA GLU 84 HA GLU 84 -2.858 -18.346 2.561 652 1HB GLU 84 1HB GLU 84 -1.236 -17.888 0.657 653 2HB GLU 84 2HB GLU 84 -2.925 -17.424 0.381 654 1HG GLU 84 1HG GLU 84 -2.381 -15.074 1.037 655 2HG GLU 84 2HG GLU 84 -0.675 -15.521 1.138 656 H VAL 85 H VAL 85 -0.013 -16.753 1.863 657 HA VAL 85 HA VAL 85 1.217 -16.129 4.435 658 HB VAL 85 HB VAL 85 3.143 -17.729 3.962 659 1HG1 VAL 85 1HG1 VAL 85 0.596 -19.260 4.845 660 2HG1 VAL 85 2HG1 VAL 85 2.274 -19.817 5.068 661 3HG1 VAL 85 3HG1 VAL 85 1.717 -18.384 5.914 662 1HG2 VAL 85 1HG2 VAL 85 2.515 -18.483 1.625 663 2HG2 VAL 85 2HG2 VAL 85 2.815 -19.848 2.706 664 3HG2 VAL 85 3HG2 VAL 85 1.142 -19.401 2.287 Start of MODEL 2 1 1H VAL 2 1H VAL 2 -16.719 6.519 -2.296 2 2H VAL 2 2H VAL 2 -17.428 5.202 -3.064 3 3H VAL 2 3H VAL 2 -18.312 6.612 -2.826 4 HA VAL 2 HA VAL 2 -18.243 6.337 -0.482 5 HB VAL 2 HB VAL 2 -19.660 4.289 -0.351 6 1HG1 VAL 2 1HG1 VAL 2 -20.514 6.505 -1.157 7 2HG1 VAL 2 2HG1 VAL 2 -20.143 6.007 -2.824 8 3HG1 VAL 2 3HG1 VAL 2 -21.380 5.130 -1.890 9 1HG2 VAL 2 1HG2 VAL 2 -18.865 3.982 -3.283 10 2HG2 VAL 2 2HG2 VAL 2 -18.421 2.882 -1.954 11 3HG2 VAL 2 3HG2 VAL 2 -20.126 3.043 -2.448 12 H GLN 3 H GLN 3 -17.380 5.219 1.383 13 HA GLN 3 HA GLN 3 -15.003 3.613 0.606 14 1HB GLN 3 1HB GLN 3 -14.609 5.899 1.616 15 2HB GLN 3 2HB GLN 3 -15.399 5.334 3.096 16 1HG GLN 3 1HG GLN 3 -13.649 3.650 3.435 17 2HG GLN 3 2HG GLN 3 -12.947 4.023 1.849 18 1HE2 GLN 3 2HE2 GLN 3 -11.016 5.066 2.176 19 2HE2 GLN 3 1HE2 GLN 3 -10.808 6.374 3.322 20 H GLN 4 H GLN 4 -14.689 1.646 1.488 21 HA GLN 4 HA GLN 4 -16.011 1.050 4.061 22 1HB GLN 4 1HB GLN 4 -17.642 0.172 2.516 23 2HB GLN 4 2HB GLN 4 -16.375 -0.577 1.525 24 1HG GLN 4 1HG GLN 4 -17.424 -2.297 2.879 25 2HG GLN 4 2HG GLN 4 -15.764 -2.042 3.452 26 1HE2 GLN 4 2HE2 GLN 4 -18.887 -2.528 4.402 27 2HE2 GLN 4 1HE2 GLN 4 -18.826 -1.799 6.011 28 H LYS 5 H LYS 5 -14.791 -0.778 5.207 29 HA LYS 5 HA LYS 5 -12.385 -1.682 3.806 30 1HB LYS 5 1HB LYS 5 -11.026 -0.766 5.827 31 2HB LYS 5 2HB LYS 5 -11.512 0.296 4.497 32 1HG LYS 5 1HG LYS 5 -11.971 1.568 6.404 33 2HG LYS 5 2HG LYS 5 -13.556 0.942 5.880 34 1HD LYS 5 1HD LYS 5 -13.245 -0.946 7.542 35 2HD LYS 5 2HD LYS 5 -11.736 -0.129 8.062 36 1HE LYS 5 1HE LYS 5 -13.040 1.898 8.654 37 2HE LYS 5 2HE LYS 5 -14.536 1.076 8.158 38 1HZ LYS 5 1HZ LYS 5 -14.104 -0.569 9.845 39 2HZ LYS 5 2HZ LYS 5 -12.738 0.227 10.319 40 3HZ LYS 5 3HZ LYS 5 -14.217 0.936 10.507 41 H VAL 6 H VAL 6 -11.600 -3.564 4.585 42 HA VAL 6 HA VAL 6 -12.916 -4.608 7.042 43 HB VAL 6 HB VAL 6 -12.873 -6.891 5.893 44 1HG1 VAL 6 1HG1 VAL 6 -14.660 -4.623 4.912 45 2HG1 VAL 6 2HG1 VAL 6 -15.049 -6.354 4.779 46 3HG1 VAL 6 3HG1 VAL 6 -14.892 -5.595 6.383 47 1HG2 VAL 6 1HG2 VAL 6 -11.446 -6.222 3.948 48 2HG2 VAL 6 2HG2 VAL 6 -13.026 -6.865 3.435 49 3HG2 VAL 6 3HG2 VAL 6 -12.731 -5.111 3.419 50 H GLU 7 H GLU 7 -11.544 -5.434 8.526 51 HA GLU 7 HA GLU 7 -8.691 -5.263 7.776 52 1HB GLU 7 1HB GLU 7 -9.527 -3.949 9.714 53 2HB GLU 7 2HB GLU 7 -10.063 -5.450 10.505 54 1HG GLU 7 1HG GLU 7 -7.864 -6.177 10.903 55 2HG GLU 7 2HG GLU 7 -7.177 -5.074 9.694 56 H VAL 8 H VAL 8 -7.178 -6.676 8.371 57 HA VAL 8 HA VAL 8 -7.812 -9.421 9.194 58 HB VAL 8 HB VAL 8 -6.563 -10.217 7.065 59 1HG1 VAL 8 1HG1 VAL 8 -9.353 -9.043 6.882 60 2HG1 VAL 8 2HG1 VAL 8 -8.650 -10.287 5.796 61 3HG1 VAL 8 3HG1 VAL 8 -8.905 -10.654 7.517 62 1HG2 VAL 8 1HG2 VAL 8 -7.507 -7.457 6.166 63 2HG2 VAL 8 2HG2 VAL 8 -5.819 -8.018 6.231 64 3HG2 VAL 8 3HG2 VAL 8 -6.944 -8.756 5.069 65 H ARG 9 H ARG 9 -5.514 -10.706 8.935 66 HA ARG 9 HA ARG 9 -3.605 -8.703 10.019 67 1HB ARG 9 1HB ARG 9 -3.854 -10.936 11.218 68 2HB ARG 9 2HB ARG 9 -3.048 -11.665 9.796 69 1HG ARG 9 1HG ARG 9 -1.099 -10.063 10.232 70 2HG ARG 9 2HG ARG 9 -1.912 -9.536 11.686 71 1HD ARG 9 1HD ARG 9 -1.053 -12.383 11.123 72 2HD ARG 9 2HD ARG 9 -0.368 -11.266 12.322 73 HE ARG 9 HE ARG 9 -2.703 -12.898 12.638 74 1HH1 ARG 9 2HH1 ARG 9 -1.363 -9.716 13.491 75 2HH1 ARG 9 1HH1 ARG 9 -2.461 -9.488 14.832 76 1HH2 ARG 9 1HH2 ARG 9 -4.139 -12.556 14.411 77 2HH2 ARG 9 2HH2 ARG 9 -4.094 -11.034 15.275 78 H LEU 10 H LEU 10 -1.915 -8.062 8.976 79 HA LEU 10 HA LEU 10 -1.771 -8.230 6.160 80 1HB LEU 10 1HB LEU 10 -1.242 -6.368 7.737 81 2HB LEU 10 2HB LEU 10 0.188 -7.254 8.288 82 HG LEU 10 HG LEU 10 1.222 -7.031 6.106 83 1HD1 LEU 10 1HD1 LEU 10 -1.373 -5.623 5.304 84 2HD1 LEU 10 2HD1 LEU 10 0.097 -5.767 4.306 85 3HD1 LEU 10 3HD1 LEU 10 -0.843 -7.221 4.720 86 1HD2 LEU 10 1HD2 LEU 10 1.256 -5.232 7.853 87 2HD2 LEU 10 2HD2 LEU 10 1.449 -4.605 6.204 88 3HD2 LEU 10 3HD2 LEU 10 -0.124 -4.450 7.036 89 H LYS 11 H LYS 11 -1.693 -10.712 6.226 90 HA LYS 11 HA LYS 11 0.756 -12.060 6.968 91 1HB LYS 11 1HB LYS 11 -1.256 -13.289 6.987 92 2HB LYS 11 2HB LYS 11 -1.761 -12.711 5.393 93 1HG LYS 11 1HG LYS 11 0.670 -14.463 5.746 94 2HG LYS 11 2HG LYS 11 -0.965 -15.108 5.530 95 1HD LYS 11 1HD LYS 11 0.587 -13.344 3.592 96 2HD LYS 11 2HD LYS 11 -0.009 -14.994 3.328 97 1HE LYS 11 1HE LYS 11 -2.342 -14.196 3.517 98 2HE LYS 11 2HE LYS 11 -1.755 -12.542 3.818 99 1HZ LYS 11 1HZ LYS 11 -0.735 -12.615 1.634 100 2HZ LYS 11 2HZ LYS 11 -1.420 -14.091 1.347 101 3HZ LYS 11 3HZ LYS 11 -2.375 -12.780 1.576 102 H THR 12 H THR 12 -0.341 -10.360 4.168 103 HA THR 12 HA THR 12 1.636 -11.203 2.239 104 HB THR 12 HB THR 12 0.937 -8.789 1.371 105 HG1 THR 12 HG1 THR 12 -1.248 -9.342 3.116 106 1HG2 THR 12 1HG2 THR 12 -1.199 -9.693 0.488 107 2HG2 THR 12 2HG2 THR 12 0.128 -10.863 0.337 108 3HG2 THR 12 3HG2 THR 12 -1.082 -11.057 1.627 109 H GLY 13 H GLY 13 1.457 -8.783 4.816 110 1HA GLY 13 1HA GLY 13 2.711 -6.935 5.349 111 2HA GLY 13 2HA GLY 13 4.023 -8.132 5.380 112 H LEU 14 H LEU 14 2.179 -7.033 2.691 113 HA LEU 14 HA LEU 14 2.812 -6.447 0.527 114 1HB LEU 14 1HB LEU 14 3.326 -4.267 2.492 115 2HB LEU 14 2HB LEU 14 3.642 -3.983 0.776 116 HG LEU 14 HG LEU 14 1.297 -3.398 1.523 117 1HD1 LEU 14 1HD2 LEU 14 1.505 -5.566 -0.577 118 2HD1 LEU 14 2HD2 LEU 14 0.138 -4.447 -0.374 119 3HD1 LEU 14 3HD2 LEU 14 1.739 -3.821 -0.838 120 1HD2 LEU 14 1HD1 LEU 14 0.952 -5.360 3.044 121 2HD2 LEU 14 2HD1 LEU 14 -0.339 -5.177 1.829 122 3HD2 LEU 14 3HD1 LEU 14 0.916 -6.418 1.611 123 H GLN 15 H GLN 15 4.746 -8.224 1.472 124 HA GLN 15 HA GLN 15 7.303 -6.978 0.777 125 1HB GLN 15 1HB GLN 15 6.576 -9.758 1.734 126 2HB GLN 15 2HB GLN 15 8.230 -9.252 1.313 127 1HG GLN 15 1HG GLN 15 8.025 -7.328 2.891 128 2HG GLN 15 2HG GLN 15 6.418 -7.912 3.366 129 1HE2 GLN 15 1HE2 GLN 15 6.574 -8.819 5.388 130 2HE2 GLN 15 2HE2 GLN 15 7.718 -10.084 5.763 131 H ALA 16 H ALA 16 6.345 -6.418 -1.273 132 HA ALA 16 HA ALA 16 6.571 -6.428 -3.537 133 1HB ALA 16 1HB ALA 16 8.873 -7.114 -3.020 134 2HB ALA 16 2HB ALA 16 8.374 -8.822 -3.076 135 3HB ALA 16 3HB ALA 16 8.298 -7.825 -4.548 136 H ARG 17 H ARG 17 6.509 -9.924 -2.781 137 HA ARG 17 HA ARG 17 4.953 -10.523 -5.154 138 1HB ARG 17 1HB ARG 17 5.546 -12.272 -2.742 139 2HB ARG 17 2HB ARG 17 4.912 -12.801 -4.318 140 1HG ARG 17 1HG ARG 17 7.633 -11.545 -3.786 141 2HG ARG 17 2HG ARG 17 7.290 -13.218 -4.282 142 1HD ARG 17 1HD ARG 17 6.868 -10.664 -5.869 143 2HD ARG 17 2HD ARG 17 7.952 -12.004 -6.268 144 HE ARG 17 HE ARG 17 5.940 -13.395 -6.652 145 1HH1 ARG 17 2HH1 ARG 17 5.588 -9.858 -6.690 146 2HH1 ARG 17 1HH1 ARG 17 4.065 -9.892 -7.520 147 1HH2 ARG 17 1HH2 ARG 17 3.949 -13.422 -7.765 148 2HH2 ARG 17 2HH2 ARG 17 3.127 -11.940 -8.167 149 HA PRO 18 HA PRO 18 1.275 -11.365 -2.126 150 1HB PRO 18 1HB PRO 18 1.582 -10.344 0.441 151 2HB PRO 18 2HB PRO 18 2.014 -12.023 -0.006 152 1HG PRO 18 1HG PRO 18 3.842 -9.614 0.171 153 2HG PRO 18 2HG PRO 18 4.096 -11.244 0.858 154 1HD PRO 18 1HD PRO 18 5.225 -10.534 -1.502 155 2HD PRO 18 2HD PRO 18 4.520 -12.168 -1.306 156 H ALA 19 H ALA 19 3.301 -8.589 -1.377 157 HA ALA 19 HA ALA 19 1.375 -6.556 -1.114 158 1HB ALA 19 1HB ALA 19 4.143 -6.671 -2.346 159 2HB ALA 19 2HB ALA 19 3.238 -5.162 -2.004 160 3HB ALA 19 3HB ALA 19 3.716 -6.242 -0.663 161 H ALA 20 H ALA 20 3.030 -7.869 -4.015 162 HA ALA 20 HA ALA 20 1.997 -6.070 -5.919 163 1HB ALA 20 1HB ALA 20 3.821 -7.687 -6.350 164 2HB ALA 20 2HB ALA 20 2.659 -9.028 -6.203 165 3HB ALA 20 3HB ALA 20 2.503 -7.859 -7.540 166 H LEU 21 H LEU 21 0.745 -9.253 -4.800 167 HA LEU 21 HA LEU 21 -1.620 -9.224 -6.389 168 1HB LEU 21 1HB LEU 21 -0.579 -11.094 -4.947 169 2HB LEU 21 2HB LEU 21 -1.474 -10.370 -3.596 170 HG LEU 21 HG LEU 21 -2.731 -12.231 -4.628 171 1HD1 LEU 21 1HD2 LEU 21 -3.955 -9.530 -5.309 172 2HD1 LEU 21 2HD2 LEU 21 -4.845 -11.066 -5.192 173 3HD1 LEU 21 3HD2 LEU 21 -4.072 -10.371 -3.746 174 1HD2 LEU 21 1HD1 LEU 21 -2.555 -10.550 -7.160 175 2HD2 LEU 21 2HD1 LEU 21 -1.738 -12.104 -6.870 176 3HD2 LEU 21 3HD1 LEU 21 -3.514 -12.037 -6.972 177 H PHE 22 H PHE 22 -1.058 -8.110 -3.069 178 HA PHE 22 HA PHE 22 -3.561 -7.160 -2.263 179 1HB PHE 22 1HB PHE 22 -1.622 -7.438 -0.876 180 2HB PHE 22 2HB PHE 22 -0.703 -6.254 -1.808 181 HD1 PHE 22 HD1 PHE 22 -1.779 -3.781 -1.841 182 HD2 PHE 22 HD2 PHE 22 -2.208 -6.737 1.253 183 HE1 PHE 22 HE1 PHE 22 -2.058 -1.986 -0.195 184 HE2 PHE 22 HE2 PHE 22 -2.632 -4.941 2.908 185 HZ PHE 22 HZ PHE 22 -2.545 -2.551 2.201 186 H VAL 23 H VAL 23 -0.897 -5.063 -3.335 187 HA VAL 23 HA VAL 23 -2.417 -2.727 -3.714 188 HB VAL 23 HB VAL 23 0.252 -3.700 -4.784 189 1HG1 VAL 23 1HG2 VAL 23 -0.968 -0.916 -4.985 190 2HG1 VAL 23 2HG2 VAL 23 0.728 -1.323 -5.327 191 3HG1 VAL 23 3HG2 VAL 23 -0.568 -1.997 -6.339 192 1HG2 VAL 23 1HG1 VAL 23 -0.589 -1.744 -2.589 193 2HG2 VAL 23 2HG1 VAL 23 0.049 -3.384 -2.349 194 3HG2 VAL 23 3HG1 VAL 23 1.090 -2.121 -3.043 195 H GLN 24 H GLN 24 -1.570 -5.390 -5.967 196 HA GLN 24 HA GLN 24 -2.564 -4.262 -8.337 197 1HB GLN 24 1HB GLN 24 -1.188 -6.247 -8.311 198 2HB GLN 24 2HB GLN 24 -2.359 -7.076 -7.272 199 1HG GLN 24 1HG GLN 24 -3.912 -6.342 -9.426 200 2HG GLN 24 2HG GLN 24 -2.381 -6.805 -10.199 201 1HE2 GLN 24 2HE2 GLN 24 -3.623 -8.104 -7.072 202 2HE2 GLN 24 1HE2 GLN 24 -4.128 -9.649 -7.732 203 H GLU 25 H GLU 25 -4.370 -6.200 -5.815 204 HA GLU 25 HA GLU 25 -6.806 -5.986 -7.480 205 1HB GLU 25 1HB GLU 25 -6.480 -6.707 -4.514 206 2HB GLU 25 2HB GLU 25 -7.890 -7.104 -5.516 207 1HG GLU 25 1HG GLU 25 -5.109 -8.141 -6.101 208 2HG GLU 25 2HG GLU 25 -6.220 -8.979 -4.997 209 H ALA 26 H ALA 26 -5.521 -4.466 -4.535 210 HA ALA 26 HA ALA 26 -7.678 -2.767 -3.887 211 1HB ALA 26 1HB ALA 26 -4.688 -2.160 -4.029 212 2HB ALA 26 2HB ALA 26 -5.869 -1.209 -3.097 213 3HB ALA 26 3HB ALA 26 -5.512 -2.897 -2.629 214 H ASN 27 H ASN 27 -5.107 -2.444 -6.254 215 HA ASN 27 HA ASN 27 -5.776 0.070 -7.425 216 1HB ASN 27 1HB ASN 27 -4.073 -2.332 -7.842 217 2HB ASN 27 2HB ASN 27 -4.606 -1.613 -9.351 218 1HD2 ASN 27 2HD2 ASN 27 -2.599 -1.209 -6.557 219 2HD2 ASN 27 1HD2 ASN 27 -1.839 0.336 -6.918 220 H ARG 28 H ARG 28 -6.334 -3.294 -8.247 221 HA ARG 28 HA ARG 28 -7.476 -3.286 -10.767 222 1HB ARG 28 1HB ARG 28 -7.749 -4.813 -8.198 223 2HB ARG 28 2HB ARG 28 -8.961 -5.118 -9.405 224 1HG ARG 28 1HG ARG 28 -6.915 -5.368 -11.062 225 2HG ARG 28 2HG ARG 28 -5.968 -5.536 -9.574 226 1HD ARG 28 1HD ARG 28 -7.552 -7.384 -8.856 227 2HD ARG 28 2HD ARG 28 -8.345 -7.269 -10.430 228 HE ARG 28 HE ARG 28 -5.808 -8.532 -9.814 229 1HH1 ARG 28 2HH1 ARG 28 -7.721 -7.009 -12.354 230 2HH1 ARG 28 1HH1 ARG 28 -6.857 -7.767 -13.665 231 1HH2 ARG 28 1HH2 ARG 28 -4.509 -9.322 -11.494 232 2HH2 ARG 28 2HH2 ARG 28 -4.989 -9.142 -13.165 233 H PHE 29 H PHE 29 -9.084 -3.007 -7.610 234 HA PHE 29 HA PHE 29 -11.614 -2.239 -8.853 235 1HB PHE 29 1HB PHE 29 -10.621 -2.281 -5.996 236 2HB PHE 29 2HB PHE 29 -12.296 -1.940 -6.462 237 HD1 PHE 29 HD1 PHE 29 -13.424 -3.704 -8.042 238 HD2 PHE 29 HD2 PHE 29 -9.797 -4.510 -5.889 239 HE1 PHE 29 HE1 PHE 29 -13.638 -6.106 -8.593 240 HE2 PHE 29 HE2 PHE 29 -10.052 -6.927 -6.351 241 HZ PHE 29 HZ PHE 29 -11.994 -7.734 -7.710 242 H THR 30 H THR 30 -12.081 -0.354 -9.467 243 HA THR 30 HA THR 30 -10.154 1.838 -9.235 244 HB THR 30 HB THR 30 -11.290 1.240 -11.296 245 HG1 THR 30 HG1 THR 30 -11.650 3.390 -11.914 246 1HG2 THR 30 1HG2 THR 30 -13.652 1.985 -11.667 247 2HG2 THR 30 2HG2 THR 30 -13.529 0.729 -10.409 248 3HG2 THR 30 3HG2 THR 30 -13.725 2.438 -9.945 249 H SER 31 H SER 31 -10.378 1.679 -6.957 250 HA SER 31 HA SER 31 -12.310 3.540 -5.731 251 1HB SER 31 1HB SER 31 -11.216 0.923 -4.590 252 2HB SER 31 2HB SER 31 -12.506 1.933 -3.903 253 HG SER 31 HG SER 31 -12.573 0.497 -6.354 254 H ASP 32 H ASP 32 -11.550 4.743 -4.020 255 HA ASP 32 HA ASP 32 -8.653 5.086 -3.852 256 1HB ASP 32 1HB ASP 32 -10.253 6.948 -3.704 257 2HB ASP 32 2HB ASP 32 -10.973 6.189 -2.268 258 H VAL 33 H VAL 33 -7.978 3.113 -3.261 259 HA VAL 33 HA VAL 33 -9.091 1.637 -1.020 260 HB VAL 33 HB VAL 33 -6.707 1.111 -2.830 261 1HG1 VAL 33 1HG1 VAL 33 -8.301 -0.751 -1.021 262 2HG1 VAL 33 2HG1 VAL 33 -7.002 -1.245 -2.137 263 3HG1 VAL 33 3HG1 VAL 33 -6.638 -0.201 -0.739 264 1HG2 VAL 33 1HG2 VAL 33 -9.623 0.233 -2.919 265 2HG2 VAL 33 2HG2 VAL 33 -8.830 1.394 -4.013 266 3HG2 VAL 33 3HG2 VAL 33 -8.341 -0.316 -4.036 267 H PHE 34 H PHE 34 -8.026 0.962 0.800 268 HA PHE 34 HA PHE 34 -5.601 2.447 1.597 269 1HB PHE 34 1HB PHE 34 -8.155 2.516 3.235 270 2HB PHE 34 2HB PHE 34 -6.563 3.069 3.749 271 HD1 PHE 34 HD1 PHE 34 -9.276 3.719 1.264 272 HD2 PHE 34 HD2 PHE 34 -5.685 5.194 3.126 273 HE1 PHE 34 HE1 PHE 34 -9.709 5.957 0.315 274 HE2 PHE 34 HE2 PHE 34 -6.119 7.447 2.164 275 HZ PHE 34 HZ PHE 34 -8.137 7.827 0.762 276 H LEU 35 H LEU 35 -4.794 1.745 3.686 277 HA LEU 35 HA LEU 35 -5.697 -0.882 4.613 278 1HB LEU 35 1HB LEU 35 -3.829 -1.401 3.005 279 2HB LEU 35 2HB LEU 35 -2.760 -0.324 3.953 280 HG LEU 35 HG LEU 35 -3.290 -1.682 5.995 281 1HD1 LEU 35 1HD1 LEU 35 -5.519 -2.438 5.117 282 2HD1 LEU 35 2HD1 LEU 35 -4.666 -3.516 3.989 283 3HD1 LEU 35 3HD1 LEU 35 -4.531 -3.782 5.742 284 1HD2 LEU 35 1HD2 LEU 35 -1.276 -2.246 4.663 285 2HD2 LEU 35 2HD2 LEU 35 -1.998 -3.691 5.406 286 3HD2 LEU 35 3HD2 LEU 35 -2.247 -3.363 3.677 287 H GLU 36 H GLU 36 -5.914 -0.660 6.720 288 HA GLU 36 HA GLU 36 -4.559 1.651 8.037 289 1HB GLU 36 1HB GLU 36 -7.057 0.303 9.041 290 2HB GLU 36 2HB GLU 36 -6.575 2.006 9.227 291 1HG GLU 36 1HG GLU 36 -7.122 2.458 6.919 292 2HG GLU 36 2HG GLU 36 -7.393 0.746 6.582 293 H LYS 37 H LYS 37 -2.803 0.732 9.169 294 HA LYS 37 HA LYS 37 -2.827 -1.917 10.304 295 1HB LYS 37 1HB LYS 37 -1.092 0.548 10.299 296 2HB LYS 37 2HB LYS 37 -0.818 -0.704 11.514 297 1HG LYS 37 1HG LYS 37 -0.651 -2.413 9.692 298 2HG LYS 37 2HG LYS 37 -0.884 -1.130 8.498 299 1HD LYS 37 1HD LYS 37 1.465 -1.535 8.618 300 2HD LYS 37 2HD LYS 37 1.213 -0.008 9.485 301 1HE LYS 37 1HE LYS 37 1.422 -2.758 10.836 302 2HE LYS 37 2HE LYS 37 2.791 -1.671 10.556 303 1HZ LYS 37 1HZ LYS 37 1.680 -0.021 11.887 304 2HZ LYS 37 2HZ LYS 37 0.428 -1.054 12.185 305 3HZ LYS 37 3HZ LYS 37 1.936 -1.411 12.735 306 H ASP 38 H ASP 38 -4.504 -2.240 11.670 307 HA ASP 38 HA ASP 38 -5.962 -1.963 13.368 308 1HB ASP 38 1HB ASP 38 -3.588 -0.631 14.706 309 2HB ASP 38 2HB ASP 38 -5.033 -1.247 15.529 310 H GLY 39 H GLY 39 -5.852 0.104 11.284 311 1HA GLY 39 1HA GLY 39 -7.496 1.993 11.410 312 2HA GLY 39 2HA GLY 39 -6.707 2.412 12.952 313 H LYS 40 H LYS 40 -3.946 1.812 11.746 314 HA LYS 40 HA LYS 40 -3.378 4.490 10.871 315 1HB LYS 40 1HB LYS 40 -1.703 1.956 10.756 316 2HB LYS 40 2HB LYS 40 -1.098 3.625 10.672 317 1HG LYS 40 1HG LYS 40 -2.404 2.207 13.022 318 2HG LYS 40 2HG LYS 40 -0.744 2.822 12.930 319 1HD LYS 40 1HD LYS 40 -3.324 4.436 13.008 320 2HD LYS 40 2HD LYS 40 -2.061 4.391 14.252 321 1HE LYS 40 1HE LYS 40 -1.756 5.486 11.415 322 2HE LYS 40 2HE LYS 40 -1.950 6.461 12.885 323 1HZ LYS 40 1HZ LYS 40 0.110 5.529 13.681 324 2HZ LYS 40 2HZ LYS 40 0.287 4.654 12.293 325 3HZ LYS 40 3HZ LYS 40 0.325 6.300 12.240 326 H LYS 41 H LYS 41 -4.910 4.554 9.030 327 HA LYS 41 HA LYS 41 -4.218 2.788 6.848 328 1HB LYS 41 1HB LYS 41 -6.314 2.921 6.385 329 2HB LYS 41 2HB LYS 41 -6.548 4.059 7.717 330 1HG LYS 41 1HG LYS 41 -5.917 4.768 4.829 331 2HG LYS 41 2HG LYS 41 -7.523 4.842 5.572 332 1HD LYS 41 1HD LYS 41 -6.774 6.538 7.172 333 2HD LYS 41 2HD LYS 41 -5.103 6.418 6.561 334 1HE LYS 41 1HE LYS 41 -5.808 7.216 4.358 335 2HE LYS 41 2HE LYS 41 -7.498 7.283 4.882 336 1HZ LYS 41 1HZ LYS 41 -5.275 8.844 6.012 337 2HZ LYS 41 2HZ LYS 41 -6.444 9.424 5.006 338 3HZ LYS 41 3HZ LYS 41 -6.840 8.913 6.522 339 H VAL 42 H VAL 42 -3.831 3.160 4.831 340 HA VAL 42 HA VAL 42 -3.012 5.797 3.766 341 HB VAL 42 HB VAL 42 -0.953 4.610 2.798 342 1HG1 VAL 42 1HG1 VAL 42 -1.089 4.913 5.817 343 2HG1 VAL 42 2HG1 VAL 42 0.400 4.854 4.842 344 3HG1 VAL 42 3HG1 VAL 42 -0.739 6.206 4.643 345 1HG2 VAL 42 1HG2 VAL 42 -1.716 2.572 4.940 346 2HG2 VAL 42 2HG2 VAL 42 -1.764 2.320 3.182 347 3HG2 VAL 42 3HG2 VAL 42 -0.201 2.562 3.999 348 H ASN 43 H ASN 43 -2.669 5.602 1.315 349 HA ASN 43 HA ASN 43 -4.848 4.086 0.235 350 1HB ASN 43 1HB ASN 43 -4.091 6.235 -0.722 351 2HB ASN 43 2HB ASN 43 -2.551 5.466 -1.183 352 1HD2 ASN 43 2HD2 ASN 43 -5.911 5.948 -2.057 353 2HD2 ASN 43 1HD2 ASN 43 -5.825 5.005 -3.528 354 H ALA 44 H ALA 44 -4.807 2.153 0.373 355 HA ALA 44 HA ALA 44 -2.882 0.215 0.645 356 1HB ALA 44 1HB ALA 44 -5.564 0.063 -0.770 357 2HB ALA 44 2HB ALA 44 -4.656 -1.359 -0.210 358 3HB ALA 44 3HB ALA 44 -5.292 -0.180 0.968 359 H LYS 45 H LYS 45 -4.089 1.542 -2.421 360 HA LYS 45 HA LYS 45 -2.667 -0.560 -3.938 361 1HB LYS 45 1HB LYS 45 -3.641 0.617 -5.914 362 2HB LYS 45 2HB LYS 45 -4.853 -0.013 -4.774 363 1HG LYS 45 1HG LYS 45 -5.263 2.175 -3.868 364 2HG LYS 45 2HG LYS 45 -3.819 2.830 -4.638 365 1HD LYS 45 1HD LYS 45 -5.664 3.549 -5.984 366 2HD LYS 45 2HD LYS 45 -4.837 2.266 -6.892 367 1HE LYS 45 1HE LYS 45 -6.549 0.637 -5.805 368 2HE LYS 45 2HE LYS 45 -7.467 2.085 -5.352 369 1HZ LYS 45 1HZ LYS 45 -6.710 1.335 -8.094 370 2HZ LYS 45 2HZ LYS 45 -8.177 1.124 -7.397 371 3HZ LYS 45 3HZ LYS 45 -7.604 2.652 -7.656 372 H SER 46 H SER 46 -1.927 2.433 -2.528 373 HA SER 46 HA SER 46 0.187 2.995 -4.519 374 1HB SER 46 1HB SER 46 -0.862 4.632 -2.179 375 2HB SER 46 2HB SER 46 0.393 5.150 -3.326 376 HG SER 46 HG SER 46 -2.281 4.450 -3.981 377 H ILE 47 H ILE 47 2.225 3.750 -3.627 378 HA ILE 47 HA ILE 47 3.791 2.059 -2.197 379 HB ILE 47 HB ILE 47 4.822 3.843 -3.278 380 1HG1 ILE 47 1HG1 ILE 47 5.640 3.216 -0.835 381 2HG1 ILE 47 2HG1 ILE 47 6.410 4.528 -1.722 382 1HG2 ILE 47 1HG2 ILE 47 2.969 5.458 -3.281 383 2HG2 ILE 47 2HG2 ILE 47 3.288 5.816 -1.566 384 3HG2 ILE 47 3HG2 ILE 47 4.505 6.218 -2.797 385 1HD1 ILE 47 1HD1 ILE 47 4.909 6.177 -0.556 386 2HD1 ILE 47 2HD1 ILE 47 4.172 4.847 0.344 387 3HD1 ILE 47 3HD1 ILE 47 5.872 5.244 0.615 388 H MET 48 H MET 48 2.153 4.882 -0.678 389 HA MET 48 HA MET 48 3.249 4.132 1.804 390 1HB MET 48 1HB MET 48 2.440 6.400 1.231 391 2HB MET 48 2HB MET 48 0.768 5.836 1.373 392 1HG MET 48 1HG MET 48 1.222 5.226 3.747 393 2HG MET 48 2HG MET 48 2.915 5.698 3.536 394 1HE MET 48 1HE MET 48 0.011 7.654 1.900 395 2HE MET 48 2HE MET 48 -0.791 7.023 3.364 396 3HE MET 48 3HE MET 48 -0.503 8.774 3.187 397 H GLY 49 H GLY 49 0.530 2.729 0.164 398 1HA GLY 49 1HA GLY 49 -0.378 1.438 2.632 399 2HA GLY 49 2HA GLY 49 -0.908 1.041 0.956 400 H LEU 50 H LEU 50 1.107 0.261 -0.480 401 HA LEU 50 HA LEU 50 1.953 -2.225 0.367 402 1HB LEU 50 1HB LEU 50 2.279 -0.523 -1.831 403 2HB LEU 50 2HB LEU 50 3.936 -0.848 -1.271 404 HG LEU 50 HG LEU 50 1.894 -3.030 -1.861 405 1HD1 LEU 50 1HD1 LEU 50 4.401 -2.214 -3.386 406 2HD1 LEU 50 2HD1 LEU 50 3.381 -3.634 -3.727 407 3HD1 LEU 50 3HD1 LEU 50 2.723 -1.992 -3.948 408 1HD2 LEU 50 1HD2 LEU 50 4.819 -3.055 -0.972 409 2HD2 LEU 50 2HD2 LEU 50 3.398 -3.676 -0.108 410 3HD2 LEU 50 3HD2 LEU 50 3.947 -4.473 -1.586 411 H MET 51 H MET 51 4.127 0.566 0.036 412 HA MET 51 HA MET 51 6.365 -0.819 1.141 413 1HB MET 51 1HB MET 51 6.476 1.054 -0.634 414 2HB MET 51 2HB MET 51 5.900 2.146 0.633 415 1HG MET 51 1HG MET 51 7.888 1.271 2.039 416 2HG MET 51 2HG MET 51 8.540 0.682 0.501 417 1HE MET 51 1HE MET 51 6.422 3.820 1.425 418 2HE MET 51 2HE MET 51 7.611 3.694 2.753 419 3HE MET 51 3HE MET 51 7.678 5.071 1.621 420 H SER 52 H SER 52 4.074 1.713 2.184 421 HA SER 52 HA SER 52 5.610 2.120 4.629 422 1HB SER 52 1HB SER 52 2.895 3.291 4.012 423 2HB SER 52 2HB SER 52 4.102 3.896 5.161 424 HG SER 52 HG SER 52 5.505 4.168 3.298 425 H LEU 53 H LEU 53 2.043 1.543 4.554 426 HA LEU 53 HA LEU 53 2.269 0.575 7.304 427 1HB LEU 53 1HB LEU 53 -0.060 0.945 5.443 428 2HB LEU 53 2HB LEU 53 -0.179 0.229 7.063 429 HG LEU 53 HG LEU 53 -0.618 2.544 7.308 430 1HD1 LEU 53 1HD1 LEU 53 0.775 1.536 9.071 431 2HD1 LEU 53 2HD1 LEU 53 2.243 1.977 8.163 432 3HD1 LEU 53 3HD1 LEU 53 1.192 3.249 8.831 433 1HD2 LEU 53 1HD2 LEU 53 0.526 3.172 5.138 434 2HD2 LEU 53 2HD2 LEU 53 0.845 4.300 6.490 435 3HD2 LEU 53 3HD2 LEU 53 2.076 3.102 6.011 436 H ALA 54 H ALA 54 1.037 -0.745 4.289 437 HA ALA 54 HA ALA 54 0.249 -3.299 5.129 438 1HB ALA 54 1HB ALA 54 -0.539 -2.123 3.121 439 2HB ALA 54 2HB ALA 54 1.082 -2.262 2.405 440 3HB ALA 54 3HB ALA 54 0.113 -3.722 2.710 441 H VAL 55 H VAL 55 3.517 -2.151 4.457 442 HA VAL 55 HA VAL 55 4.569 -4.765 3.924 443 HB VAL 55 HB VAL 55 5.667 -2.585 3.364 444 1HG1 VAL 55 1HG1 VAL 55 6.296 -2.558 6.347 445 2HG1 VAL 55 2HG1 VAL 55 6.985 -1.466 5.120 446 3HG1 VAL 55 3HG1 VAL 55 5.251 -1.396 5.490 447 1HG2 VAL 55 1HG2 VAL 55 7.254 -4.533 5.076 448 2HG2 VAL 55 2HG2 VAL 55 6.936 -4.680 3.332 449 3HG2 VAL 55 3HG2 VAL 55 7.957 -3.353 3.939 450 H SER 56 H SER 56 3.283 -3.438 6.830 451 HA SER 56 HA SER 56 5.091 -4.856 8.574 452 1HB SER 56 1HB SER 56 2.358 -3.723 9.246 453 2HB SER 56 2HB SER 56 3.707 -4.012 10.353 454 HG SER 56 HG SER 56 3.514 -2.083 8.263 455 H THR 57 H THR 57 4.727 -6.974 7.285 456 HA THR 57 HA THR 57 2.576 -8.591 7.422 457 HB THR 57 HB THR 57 5.306 -9.586 8.312 458 HG1 THR 57 HG1 THR 57 5.170 -10.125 5.913 459 1HG2 THR 57 1HG2 THR 57 4.449 -11.622 7.110 460 2HG2 THR 57 2HG2 THR 57 3.487 -11.213 8.560 461 3HG2 THR 57 3HG2 THR 57 2.881 -10.811 6.930 462 H GLY 58 H GLY 58 1.246 -9.406 8.787 463 1HA GLY 58 1HA GLY 58 0.478 -10.441 10.756 464 2HA GLY 58 2HA GLY 58 1.926 -9.940 11.622 465 H THR 59 H THR 59 0.796 -7.141 10.008 466 HA THR 59 HA THR 59 -0.408 -6.404 12.570 467 HB THR 59 HB THR 59 -0.208 -4.694 10.048 468 HG1 THR 59 HG1 THR 59 1.849 -5.454 10.768 469 1HG2 THR 59 1HG2 THR 59 -0.290 -2.788 11.616 470 2HG2 THR 59 2HG2 THR 59 -1.727 -3.824 11.791 471 3HG2 THR 59 3HG2 THR 59 -0.412 -3.914 12.983 472 H GLU 60 H GLU 60 -2.601 -6.300 12.971 473 HA GLU 60 HA GLU 60 -4.341 -7.209 10.794 474 1HB GLU 60 1HB GLU 60 -5.155 -6.135 13.527 475 2HB GLU 60 2HB GLU 60 -6.132 -7.106 12.386 476 1HG GLU 60 1HG GLU 60 -4.621 -8.998 12.591 477 2HG GLU 60 2HG GLU 60 -3.528 -8.064 13.623 478 H VAL 61 H VAL 61 -4.703 -5.869 9.196 479 HA VAL 61 HA VAL 61 -5.087 -2.989 9.814 480 HB VAL 61 HB VAL 61 -3.821 -2.454 7.762 481 1HG1 VAL 61 1HG1 VAL 61 -2.655 -2.766 9.988 482 2HG1 VAL 61 2HG1 VAL 61 -2.318 -4.447 9.516 483 3HG1 VAL 61 3HG1 VAL 61 -1.610 -3.103 8.583 484 1HG2 VAL 61 1HG2 VAL 61 -4.244 -4.586 6.515 485 2HG2 VAL 61 2HG2 VAL 61 -2.506 -4.207 6.651 486 3HG2 VAL 61 3HG2 VAL 61 -3.231 -5.443 7.713 487 H THR 62 H THR 62 -6.625 -1.919 8.627 488 HA THR 62 HA THR 62 -8.570 -3.763 7.369 489 HB THR 62 HB THR 62 -8.936 -0.808 7.997 490 HG1 THR 62 HG1 THR 62 -8.477 -2.217 9.875 491 1HG2 THR 62 1HG2 THR 62 -11.352 -1.493 7.973 492 2HG2 THR 62 2HG2 THR 62 -10.571 -1.765 6.408 493 3HG2 THR 62 3HG2 THR 62 -10.856 -3.130 7.508 494 H LEU 63 H LEU 63 -8.772 -3.994 5.252 495 HA LEU 63 HA LEU 63 -7.426 -2.058 3.467 496 1HB LEU 63 1HB LEU 63 -8.555 -4.847 3.125 497 2HB LEU 63 2HB LEU 63 -8.166 -3.815 1.721 498 HG LEU 63 HG LEU 63 -6.211 -4.228 4.000 499 1HD1 LEU 63 1HD2 LEU 63 -6.674 -6.430 2.975 500 2HD1 LEU 63 2HD2 LEU 63 -6.325 -5.748 1.369 501 3HD1 LEU 63 3HD2 LEU 63 -5.037 -5.850 2.588 502 1HD2 LEU 63 1HD1 LEU 63 -5.928 -2.257 2.500 503 2HD2 LEU 63 2HD1 LEU 63 -4.606 -3.434 2.284 504 3HD2 LEU 63 3HD1 LEU 63 -5.922 -3.342 1.089 505 H ILE 64 H ILE 64 -8.446 -0.441 2.864 506 HA ILE 64 HA ILE 64 -11.406 -0.285 2.893 507 HB ILE 64 HB ILE 64 -9.253 1.852 2.492 508 1HG1 ILE 64 1HG1 ILE 64 -10.892 1.143 4.943 509 2HG1 ILE 64 2HG1 ILE 64 -9.130 0.957 4.774 510 1HG2 ILE 64 1HG2 ILE 64 -12.253 2.015 2.972 511 2HG2 ILE 64 2HG2 ILE 64 -11.150 3.413 2.949 512 3HG2 ILE 64 3HG2 ILE 64 -11.394 2.445 1.474 513 1HD1 ILE 64 1HD1 ILE 64 -8.983 3.449 4.493 514 2HD1 ILE 64 2HD1 ILE 64 -10.746 3.541 4.748 515 3HD1 ILE 64 3HD1 ILE 64 -9.689 2.952 6.059 516 H ALA 65 H ALA 65 -12.508 0.264 1.013 517 HA ALA 65 HA ALA 65 -10.967 0.891 -1.378 518 1HB ALA 65 1HB ALA 65 -13.153 -1.228 -1.321 519 2HB ALA 65 2HB ALA 65 -12.393 -0.566 -2.786 520 3HB ALA 65 3HB ALA 65 -11.432 -1.538 -1.645 521 H GLN 66 H GLN 66 -11.581 2.893 -1.439 522 HA GLN 66 HA GLN 66 -14.464 3.449 -1.026 523 1HB GLN 66 1HB GLN 66 -12.980 4.325 0.683 524 2HB GLN 66 2HB GLN 66 -11.878 4.979 -0.516 525 1HG GLN 66 1HG GLN 66 -14.548 6.020 -0.924 526 2HG GLN 66 2HG GLN 66 -14.054 6.222 0.773 527 1HE2 GLN 66 2HE2 GLN 66 -11.645 7.005 1.019 528 2HE2 GLN 66 1HE2 GLN 66 -11.072 8.179 -0.161 529 H GLY 67 H GLY 67 -14.366 2.471 -3.229 530 1HA GLY 67 1HA GLY 67 -14.012 4.599 -5.296 531 2HA GLY 67 2HA GLY 67 -13.301 3.015 -5.454 532 H GLU 68 H GLU 68 -14.520 3.213 -7.442 533 HA GLU 68 HA GLU 68 -17.296 2.802 -7.680 534 1HB GLU 68 1HB GLU 68 -14.953 1.752 -9.305 535 2HB GLU 68 2HB GLU 68 -16.641 1.809 -9.861 536 1HG GLU 68 1HG GLU 68 -14.902 4.195 -9.091 537 2HG GLU 68 2HG GLU 68 -15.398 3.744 -10.739 538 H ASP 69 H ASP 69 -14.683 0.491 -6.681 539 HA ASP 69 HA ASP 69 -16.756 -1.677 -6.822 540 1HB ASP 69 1HB ASP 69 -13.773 -1.983 -6.805 541 2HB ASP 69 2HB ASP 69 -15.000 -3.230 -7.060 542 H GLU 70 H GLU 70 -16.113 0.525 -4.705 543 HA GLU 70 HA GLU 70 -14.365 -0.036 -2.877 544 1HB GLU 70 1HB GLU 70 -15.747 1.117 -1.272 545 2HB GLU 70 2HB GLU 70 -15.835 1.829 -2.893 546 1HG GLU 70 1HG GLU 70 -18.017 1.863 -2.713 547 2HG GLU 70 2HG GLU 70 -17.993 0.104 -2.913 548 H GLN 71 H GLN 71 -17.596 -1.325 -1.820 549 HA GLN 71 HA GLN 71 -16.597 -2.962 0.105 550 1HB GLN 71 1HB GLN 71 -19.015 -3.003 -1.628 551 2HB GLN 71 2HB GLN 71 -18.604 -4.551 -0.860 552 1HG GLN 71 1HG GLN 71 -18.835 -1.938 0.653 553 2HG GLN 71 2HG GLN 71 -20.147 -3.120 0.501 554 1HE2 GLN 71 2HE2 GLN 71 -17.252 -4.965 0.633 555 2HE2 GLN 71 1HE2 GLN 71 -17.284 -5.244 2.352 556 H GLU 72 H GLU 72 -16.600 -3.657 -3.352 557 HA GLU 72 HA GLU 72 -16.063 -6.496 -3.202 558 1HB GLU 72 1HB GLU 72 -17.120 -5.611 -5.151 559 2HB GLU 72 2HB GLU 72 -16.004 -4.226 -5.192 560 1HG GLU 72 1HG GLU 72 -15.496 -5.596 -7.028 561 2HG GLU 72 2HG GLU 72 -14.167 -5.759 -5.872 562 H ALA 73 H ALA 73 -14.178 -3.554 -3.848 563 HA ALA 73 HA ALA 73 -11.598 -4.584 -4.365 564 1HB ALA 73 1HB ALA 73 -12.779 -2.014 -3.236 565 2HB ALA 73 2HB ALA 73 -11.132 -2.134 -3.921 566 3HB ALA 73 3HB ALA 73 -12.574 -2.395 -4.943 567 H LEU 74 H LEU 74 -13.039 -3.137 -1.459 568 HA LEU 74 HA LEU 74 -10.807 -3.573 0.238 569 1HB LEU 74 1HB LEU 74 -12.390 -2.848 2.016 570 2HB LEU 74 2HB LEU 74 -12.412 -1.872 0.527 571 HG LEU 74 HG LEU 74 -14.371 -3.499 -0.158 572 1HD1 LEU 74 1HD2 LEU 74 -14.562 -3.265 2.868 573 2HD1 LEU 74 2HD2 LEU 74 -15.869 -3.798 1.778 574 3HD1 LEU 74 3HD2 LEU 74 -14.386 -4.780 1.930 575 1HD2 LEU 74 1HD1 LEU 74 -14.326 -1.025 -0.070 576 2HD2 LEU 74 2HD1 LEU 74 -15.858 -1.676 0.534 577 3HD2 LEU 74 3HD1 LEU 74 -14.632 -1.077 1.678 578 H GLU 75 H GLU 75 -13.809 -5.597 -0.229 579 HA GLU 75 HA GLU 75 -13.023 -7.537 1.695 580 1HB GLU 75 1HB GLU 75 -14.648 -7.907 -0.845 581 2HB GLU 75 2HB GLU 75 -14.506 -9.072 0.488 582 1HG GLU 75 1HG GLU 75 -15.711 -6.293 0.636 583 2HG GLU 75 2HG GLU 75 -16.586 -7.829 0.717 584 H LYS 76 H LYS 76 -12.413 -7.396 -1.838 585 HA LYS 76 HA LYS 76 -11.015 -9.761 -2.323 586 1HB LYS 76 1HB LYS 76 -10.295 -6.930 -3.197 587 2HB LYS 76 2HB LYS 76 -9.731 -8.410 -4.000 588 1HG LYS 76 1HG LYS 76 -12.661 -7.727 -3.635 589 2HG LYS 76 2HG LYS 76 -11.747 -7.157 -5.038 590 1HD LYS 76 1HD LYS 76 -12.004 -10.100 -4.292 591 2HD LYS 76 2HD LYS 76 -12.956 -9.256 -5.551 592 1HE LYS 76 1HE LYS 76 -10.913 -8.602 -6.719 593 2HE LYS 76 2HE LYS 76 -9.909 -9.341 -5.461 594 1HZ LYS 76 1HZ LYS 76 -11.774 -10.759 -7.237 595 2HZ LYS 76 2HZ LYS 76 -10.130 -10.746 -7.364 596 3HZ LYS 76 3HZ LYS 76 -10.850 -11.461 -6.061 597 H LEU 77 H LEU 77 -9.701 -6.630 -1.359 598 HA LEU 77 HA LEU 77 -7.046 -7.473 -0.947 599 1HB LEU 77 1HB LEU 77 -8.733 -5.133 -0.323 600 2HB LEU 77 2HB LEU 77 -7.206 -5.269 0.595 601 HG LEU 77 HG LEU 77 -7.151 -4.081 -1.776 602 1HD1 LEU 77 1HD1 LEU 77 -5.244 -4.686 -0.275 603 2HD1 LEU 77 2HD1 LEU 77 -5.238 -6.313 -1.014 604 3HD1 LEU 77 3HD1 LEU 77 -4.859 -4.886 -2.011 605 1HD2 LEU 77 1HD2 LEU 77 -6.865 -7.052 -2.462 606 2HD2 LEU 77 2HD2 LEU 77 -8.188 -6.016 -3.038 607 3HD2 LEU 77 3HD2 LEU 77 -6.504 -5.706 -3.556 608 H ALA 78 H ALA 78 -9.488 -6.822 1.709 609 HA ALA 78 HA ALA 78 -7.710 -7.761 3.705 610 1HB ALA 78 1HB ALA 78 -9.709 -6.482 4.235 611 2HB ALA 78 2HB ALA 78 -10.743 -7.826 3.678 612 3HB ALA 78 3HB ALA 78 -9.703 -8.022 5.114 613 H ALA 79 H ALA 79 -9.862 -9.585 1.533 614 HA ALA 79 HA ALA 79 -9.779 -12.110 2.865 615 1HB ALA 79 1HB ALA 79 -11.292 -11.432 0.950 616 2HB ALA 79 2HB ALA 79 -9.846 -11.439 -0.103 617 3HB ALA 79 3HB ALA 79 -10.417 -12.954 0.639 618 H TYR 80 H TYR 80 -7.853 -10.634 0.239 619 HA TYR 80 HA TYR 80 -6.162 -12.922 -0.103 620 1HB TYR 80 1HB TYR 80 -6.727 -11.334 -1.842 621 2HB TYR 80 2HB TYR 80 -5.996 -10.015 -0.929 622 HD1 TYR 80 HD1 TYR 80 -4.923 -13.431 -2.091 623 HD2 TYR 80 HD2 TYR 80 -3.846 -9.325 -1.375 624 HE1 TYR 80 HE1 TYR 80 -2.529 -14.051 -2.149 625 HE2 TYR 80 HE2 TYR 80 -1.435 -9.939 -1.514 626 HH TYR 80 HH TYR 80 -0.395 -13.339 -1.760 627 H VAL 81 H VAL 81 -5.507 -9.712 1.282 628 HA VAL 81 HA VAL 81 -2.785 -9.934 1.708 629 HB VAL 81 HB VAL 81 -3.099 -8.091 3.300 630 1HG1 VAL 81 1HG1 VAL 81 -3.397 -7.820 0.829 631 2HG1 VAL 81 2HG1 VAL 81 -5.143 -8.075 1.048 632 3HG1 VAL 81 3HG1 VAL 81 -4.359 -6.647 1.775 633 1HG2 VAL 81 1HG2 VAL 81 -6.033 -8.950 3.163 634 2HG2 VAL 81 2HG2 VAL 81 -4.973 -9.120 4.572 635 3HG2 VAL 81 3HG2 VAL 81 -5.436 -7.498 4.009 636 H GLN 82 H GLN 82 -5.299 -11.262 3.751 637 HA GLN 82 HA GLN 82 -3.433 -11.832 5.962 638 1HB GLN 82 1HB GLN 82 -5.572 -12.264 7.124 639 2HB GLN 82 2HB GLN 82 -5.819 -10.815 6.121 640 1HG GLN 82 1HG GLN 82 -6.831 -12.257 4.346 641 2HG GLN 82 2HG GLN 82 -6.272 -13.645 5.255 642 1HE2 GLN 82 2HE2 GLN 82 -8.836 -11.677 4.710 643 2HE2 GLN 82 1HE2 GLN 82 -9.954 -12.323 5.928 644 H GLU 83 H GLU 83 -4.509 -13.311 3.122 645 HA GLU 83 HA GLU 83 -5.804 -15.633 3.813 646 1HB GLU 83 1HB GLU 83 -5.797 -14.339 1.777 647 2HB GLU 83 2HB GLU 83 -4.172 -14.928 1.357 648 1HG GLU 83 1HG GLU 83 -5.036 -17.228 1.172 649 2HG GLU 83 2HG GLU 83 -6.646 -16.675 1.701 650 H GLU 84 H GLU 84 -2.393 -15.662 2.603 651 HA GLU 84 HA GLU 84 -2.258 -18.348 3.908 652 1HB GLU 84 1HB GLU 84 -0.413 -18.770 2.196 653 2HB GLU 84 2HB GLU 84 -2.082 -18.749 1.603 654 1HG GLU 84 1HG GLU 84 -0.499 -16.194 1.500 655 2HG GLU 84 2HG GLU 84 -0.228 -17.460 0.269 656 H VAL 85 H VAL 85 0.592 -17.035 2.683 657 HA VAL 85 HA VAL 85 1.378 -15.319 4.822 658 HB VAL 85 HB VAL 85 1.711 -17.273 6.240 659 1HG1 VAL 85 1HG1 VAL 85 3.283 -18.724 3.996 660 2HG1 VAL 85 2HG1 VAL 85 3.110 -19.288 5.677 661 3HG1 VAL 85 3HG1 VAL 85 1.696 -19.202 4.643 662 1HG2 VAL 85 1HG2 VAL 85 3.686 -15.684 6.288 663 2HG2 VAL 85 2HG2 VAL 85 4.156 -17.343 6.675 664 3HG2 VAL 85 3HG2 VAL 85 4.515 -16.673 5.062 Start of MODEL 3 1 1H VAL 2 1H VAL 2 -17.151 6.551 -1.298 2 2H VAL 2 2H VAL 2 -16.994 5.814 -2.802 3 3H VAL 2 3H VAL 2 -18.404 6.643 -2.415 4 HA VAL 2 HA VAL 2 -18.942 5.087 -0.729 5 HB VAL 2 HB VAL 2 -18.254 3.755 -3.374 6 1HG1 VAL 2 1HG2 VAL 2 -18.964 2.194 -1.584 7 2HG1 VAL 2 2HG2 VAL 2 -20.429 3.164 -1.312 8 3HG1 VAL 2 3HG2 VAL 2 -20.198 2.322 -2.865 9 1HG2 VAL 2 1HG1 VAL 2 -19.532 5.863 -3.657 10 2HG2 VAL 2 2HG1 VAL 2 -20.534 4.444 -4.049 11 3HG2 VAL 2 3HG1 VAL 2 -20.740 5.281 -2.491 12 H GLN 3 H GLN 3 -17.418 4.807 0.975 13 HA GLN 3 HA GLN 3 -15.036 3.199 0.264 14 1HB GLN 3 1HB GLN 3 -14.864 5.611 1.154 15 2HB GLN 3 2HB GLN 3 -15.390 4.951 2.719 16 1HG GLN 3 1HG GLN 3 -13.447 3.313 2.560 17 2HG GLN 3 2HG GLN 3 -12.938 4.140 1.106 18 1HE2 GLN 3 2HE2 GLN 3 -13.417 4.592 4.615 19 2HE2 GLN 3 1HE2 GLN 3 -12.371 5.994 4.719 20 H GLN 4 H GLN 4 -14.808 1.171 1.057 21 HA GLN 4 HA GLN 4 -15.843 0.634 3.784 22 1HB GLN 4 1HB GLN 4 -17.530 -0.388 2.329 23 2HB GLN 4 2HB GLN 4 -16.261 -1.062 1.294 24 1HG GLN 4 1HG GLN 4 -17.090 -2.838 2.679 25 2HG GLN 4 2HG GLN 4 -15.450 -2.435 3.220 26 1HE2 GLN 4 2HE2 GLN 4 -18.749 -2.713 4.036 27 2HE2 GLN 4 1HE2 GLN 4 -18.655 -2.116 5.702 28 H LYS 5 H LYS 5 -14.499 -1.163 4.854 29 HA LYS 5 HA LYS 5 -12.084 -1.964 3.410 30 1HB LYS 5 1HB LYS 5 -10.665 -1.074 5.220 31 2HB LYS 5 2HB LYS 5 -11.454 0.222 4.310 32 1HG LYS 5 1HG LYS 5 -12.658 -0.883 6.854 33 2HG LYS 5 2HG LYS 5 -11.403 0.385 6.917 34 1HD LYS 5 1HD LYS 5 -12.768 1.954 5.751 35 2HD LYS 5 2HD LYS 5 -13.890 0.687 5.215 36 1HE LYS 5 1HE LYS 5 -13.536 1.580 8.103 37 2HE LYS 5 2HE LYS 5 -14.880 2.016 7.023 38 1HZ LYS 5 1HZ LYS 5 -15.413 -0.316 6.847 39 2HZ LYS 5 2HZ LYS 5 -14.210 -0.703 7.900 40 3HZ LYS 5 3HZ LYS 5 -15.489 0.204 8.409 41 H VAL 6 H VAL 6 -11.248 -3.866 4.305 42 HA VAL 6 HA VAL 6 -12.713 -4.883 6.677 43 HB VAL 6 HB VAL 6 -12.725 -7.155 5.744 44 1HG1 VAL 6 1HG2 VAL 6 -14.688 -5.678 5.444 45 2HG1 VAL 6 2HG2 VAL 6 -14.010 -5.098 3.907 46 3HG1 VAL 6 3HG2 VAL 6 -14.502 -6.799 4.074 47 1HG2 VAL 6 1HG1 VAL 6 -11.680 -5.807 3.219 48 2HG2 VAL 6 2HG1 VAL 6 -10.848 -7.039 4.196 49 3HG2 VAL 6 3HG1 VAL 6 -12.327 -7.464 3.298 50 H GLU 7 H GLU 7 -11.288 -5.742 8.259 51 HA GLU 7 HA GLU 7 -8.580 -4.932 7.616 52 1HB GLU 7 1HB GLU 7 -9.757 -4.286 9.723 53 2HB GLU 7 2HB GLU 7 -9.613 -5.972 10.299 54 1HG GLU 7 1HG GLU 7 -7.189 -5.803 10.281 55 2HG GLU 7 2HG GLU 7 -7.264 -4.271 9.379 56 H VAL 8 H VAL 8 -6.649 -6.071 8.175 57 HA VAL 8 HA VAL 8 -6.899 -9.014 7.957 58 HB VAL 8 HB VAL 8 -5.551 -9.069 6.011 59 1HG1 VAL 8 1HG1 VAL 8 -7.215 -6.528 5.745 60 2HG1 VAL 8 2HG1 VAL 8 -6.579 -7.506 4.387 61 3HG1 VAL 8 3HG1 VAL 8 -7.787 -8.194 5.491 62 1HG2 VAL 8 1HG2 VAL 8 -3.798 -7.506 6.766 63 2HG2 VAL 8 2HG2 VAL 8 -4.315 -7.145 5.101 64 3HG2 VAL 8 3HG2 VAL 8 -4.897 -6.136 6.455 65 H ARG 9 H ARG 9 -5.043 -10.104 8.875 66 HA ARG 9 HA ARG 9 -3.180 -8.224 10.271 67 1HB ARG 9 1HB ARG 9 -3.897 -10.251 11.579 68 2HB ARG 9 2HB ARG 9 -3.220 -11.272 10.272 69 1HG ARG 9 1HG ARG 9 -1.009 -10.020 10.659 70 2HG ARG 9 2HG ARG 9 -1.742 -9.440 12.178 71 1HD ARG 9 1HD ARG 9 -0.414 -11.598 12.427 72 2HD ARG 9 2HD ARG 9 -2.112 -11.736 12.906 73 HE ARG 9 HE ARG 9 -2.428 -13.275 11.224 74 1HH1 ARG 9 1HH2 ARG 9 0.455 -11.413 10.542 75 2HH1 ARG 9 2HH2 ARG 9 0.728 -12.030 8.945 76 1HH2 ARG 9 2HH1 ARG 9 -2.114 -14.223 9.156 77 2HH2 ARG 9 1HH1 ARG 9 -0.737 -13.796 8.186 78 H LEU 10 H LEU 10 -1.185 -7.849 9.272 79 HA LEU 10 HA LEU 10 -0.969 -8.544 6.536 80 1HB LEU 10 1HB LEU 10 0.989 -7.390 8.530 81 2HB LEU 10 2HB LEU 10 1.559 -7.987 6.963 82 HG LEU 10 HG LEU 10 1.161 -5.754 6.523 83 1HD1 LEU 10 1HD1 LEU 10 0.112 -7.314 4.894 84 2HD1 LEU 10 2HD1 LEU 10 -1.436 -7.157 5.760 85 3HD1 LEU 10 3HD1 LEU 10 -0.703 -5.738 4.970 86 1HD2 LEU 10 1HD2 LEU 10 -1.430 -6.011 8.078 87 2HD2 LEU 10 2HD2 LEU 10 0.052 -5.159 8.583 88 3HD2 LEU 10 3HD2 LEU 10 -0.886 -4.563 7.194 89 H LYS 11 H LYS 11 -1.344 -10.771 6.364 90 HA LYS 11 HA LYS 11 0.656 -12.666 7.244 91 1HB LYS 11 1HB LYS 11 -1.524 -13.491 6.668 92 2HB LYS 11 2HB LYS 11 -1.493 -12.717 5.074 93 1HG LYS 11 1HG LYS 11 0.570 -14.807 5.681 94 2HG LYS 11 2HG LYS 11 -1.090 -15.236 5.182 95 1HD LYS 11 1HD LYS 11 0.849 -13.428 3.668 96 2HD LYS 11 2HD LYS 11 0.182 -14.986 3.129 97 1HE LYS 11 1HE LYS 11 -1.517 -12.517 3.740 98 2HE LYS 11 2HE LYS 11 -0.942 -13.007 2.122 99 1HZ LYS 11 1HZ LYS 11 -2.628 -14.662 3.782 100 2HZ LYS 11 2HZ LYS 11 -3.112 -13.737 2.484 101 3HZ LYS 11 3HZ LYS 11 -2.082 -14.998 2.265 102 H THR 12 H THR 12 0.107 -10.742 4.298 103 HA THR 12 HA THR 12 2.639 -11.459 3.014 104 HB THR 12 HB THR 12 2.179 -9.161 1.931 105 HG1 THR 12 HG1 THR 12 -0.466 -9.733 2.904 106 1HG2 THR 12 1HG2 THR 12 0.257 -11.462 1.562 107 2HG2 THR 12 2HG2 THR 12 0.706 -10.230 0.346 108 3HG2 THR 12 3HG2 THR 12 1.930 -11.365 0.955 109 H GLY 13 H GLY 13 1.317 -8.542 4.467 110 1HA GLY 13 1HA GLY 13 2.334 -6.786 5.730 111 2HA GLY 13 2HA GLY 13 3.830 -7.760 5.850 112 H LEU 14 H LEU 14 1.842 -7.218 3.040 113 HA LEU 14 HA LEU 14 2.416 -6.638 0.852 114 1HB LEU 14 1HB LEU 14 2.597 -4.274 2.697 115 2HB LEU 14 2HB LEU 14 2.825 -4.078 0.960 116 HG LEU 14 HG LEU 14 0.477 -3.693 1.683 117 1HD1 LEU 14 1HD1 LEU 14 0.974 -4.405 -0.620 118 2HD1 LEU 14 2HD1 LEU 14 0.740 -6.099 -0.120 119 3HD1 LEU 14 3HD1 LEU 14 -0.620 -4.952 -0.050 120 1HD2 LEU 14 1HD2 LEU 14 0.362 -5.365 3.495 121 2HD2 LEU 14 2HD2 LEU 14 -0.969 -5.544 2.324 122 3HD2 LEU 14 3HD2 LEU 14 0.411 -6.665 2.282 123 H GLN 15 H GLN 15 4.404 -8.132 1.039 124 HA GLN 15 HA GLN 15 6.891 -6.592 1.332 125 1HB GLN 15 1HB GLN 15 6.461 -9.545 0.761 126 2HB GLN 15 2HB GLN 15 8.008 -8.747 1.148 127 1HG GLN 15 1HG GLN 15 6.983 -7.944 3.302 128 2HG GLN 15 2HG GLN 15 5.571 -8.958 2.949 129 1HE2 GLN 15 2HE2 GLN 15 5.838 -10.418 4.634 130 2HE2 GLN 15 1HE2 GLN 15 7.243 -11.468 4.823 131 H ALA 16 H ALA 16 5.613 -8.846 -1.278 132 HA ALA 16 HA ALA 16 6.541 -6.806 -3.194 133 1HB ALA 16 1HB ALA 16 8.681 -7.657 -2.421 134 2HB ALA 16 2HB ALA 16 8.194 -9.320 -2.835 135 3HB ALA 16 3HB ALA 16 8.406 -8.112 -4.124 136 H ARG 17 H ARG 17 5.135 -9.999 -2.638 137 HA ARG 17 HA ARG 17 4.751 -10.039 -5.612 138 1HB ARG 17 1HB ARG 17 5.018 -12.376 -3.698 139 2HB ARG 17 2HB ARG 17 4.602 -12.529 -5.428 140 1HG ARG 17 1HG ARG 17 6.771 -12.234 -6.029 141 2HG ARG 17 2HG ARG 17 6.822 -10.714 -5.115 142 1HD ARG 17 1HD ARG 17 7.328 -13.483 -3.961 143 2HD ARG 17 2HD ARG 17 8.530 -12.217 -4.286 144 HE ARG 17 HE ARG 17 6.268 -11.672 -2.418 145 1HH1 ARG 17 1HH2 ARG 17 9.752 -12.063 -2.911 146 2HH1 ARG 17 2HH2 ARG 17 10.163 -11.293 -1.400 147 1HH2 ARG 17 2HH1 ARG 17 6.768 -10.644 -0.597 148 2HH2 ARG 17 1HH1 ARG 17 8.404 -10.550 0.044 149 HA PRO 18 HA PRO 18 0.440 -11.663 -4.015 150 1HB PRO 18 1HB PRO 18 0.055 -11.558 -1.327 151 2HB PRO 18 2HB PRO 18 0.870 -12.992 -2.060 152 1HG PRO 18 1HG PRO 18 2.217 -10.463 -1.032 153 2HG PRO 18 2HG PRO 18 2.576 -12.023 -0.359 154 1HD PRO 18 1HD PRO 18 4.123 -11.213 -2.268 155 2HD PRO 18 2HD PRO 18 3.369 -12.808 -2.593 156 H ALA 19 H ALA 19 2.194 -9.347 -1.882 157 HA ALA 19 HA ALA 19 0.122 -7.459 -1.547 158 1HB ALA 19 1HB ALA 19 3.135 -7.197 -1.661 159 2HB ALA 19 2HB ALA 19 1.992 -6.007 -0.962 160 3HB ALA 19 3HB ALA 19 2.178 -7.638 -0.213 161 H ALA 20 H ALA 20 2.472 -7.905 -4.150 162 HA ALA 20 HA ALA 20 2.081 -5.342 -5.441 163 1HB ALA 20 1HB ALA 20 2.847 -8.090 -6.538 164 2HB ALA 20 2HB ALA 20 3.013 -6.542 -7.406 165 3HB ALA 20 3HB ALA 20 3.997 -6.862 -5.954 166 H LEU 21 H LEU 21 0.691 -8.611 -5.581 167 HA LEU 21 HA LEU 21 -1.333 -8.172 -7.532 168 1HB LEU 21 1HB LEU 21 -0.415 -10.267 -6.283 169 2HB LEU 21 2HB LEU 21 -1.708 -9.951 -5.128 170 HG LEU 21 HG LEU 21 -2.254 -10.069 -8.126 171 1HD1 LEU 21 1HD1 LEU 21 -2.282 -12.348 -6.108 172 2HD1 LEU 21 2HD1 LEU 21 -3.067 -12.408 -7.703 173 3HD1 LEU 21 3HD1 LEU 21 -1.302 -12.221 -7.584 174 1HD2 LEU 21 1HD2 LEU 21 -3.917 -8.984 -6.646 175 2HD2 LEU 21 2HD2 LEU 21 -4.553 -10.501 -7.334 176 3HD2 LEU 21 3HD2 LEU 21 -3.990 -10.448 -5.644 177 H PHE 22 H PHE 22 -1.337 -7.812 -3.969 178 HA PHE 22 HA PHE 22 -4.078 -7.045 -3.515 179 1HB PHE 22 1HB PHE 22 -1.513 -5.970 -2.276 180 2HB PHE 22 2HB PHE 22 -3.119 -5.868 -1.556 181 HD1 PHE 22 HD1 PHE 22 -3.458 -8.931 -2.822 182 HD2 PHE 22 HD2 PHE 22 -0.915 -6.892 -0.032 183 HE1 PHE 22 HE1 PHE 22 -2.886 -11.118 -1.761 184 HE2 PHE 22 HE2 PHE 22 -0.343 -9.053 1.051 185 HZ PHE 22 HZ PHE 22 -1.303 -11.185 0.150 186 H VAL 23 H VAL 23 -1.218 -4.896 -3.827 187 HA VAL 23 HA VAL 23 -2.689 -2.519 -4.070 188 HB VAL 23 HB VAL 23 0.063 -3.391 -4.941 189 1HG1 VAL 23 1HG2 VAL 23 -0.644 -1.609 -6.497 190 2HG1 VAL 23 2HG2 VAL 23 -1.078 -0.571 -5.115 191 3HG1 VAL 23 3HG2 VAL 23 0.616 -1.052 -5.371 192 1HG2 VAL 23 1HG1 VAL 23 -1.042 -1.535 -2.749 193 2HG2 VAL 23 2HG1 VAL 23 -0.343 -3.154 -2.518 194 3HG2 VAL 23 3HG1 VAL 23 0.671 -1.817 -3.076 195 H GLN 24 H GLN 24 -1.605 -4.761 -6.722 196 HA GLN 24 HA GLN 24 -2.743 -2.923 -8.625 197 1HB GLN 24 1HB GLN 24 -2.263 -4.597 -10.364 198 2HB GLN 24 2HB GLN 24 -0.906 -4.063 -9.373 199 1HG GLN 24 1HG GLN 24 -0.400 -6.235 -9.479 200 2HG GLN 24 2HG GLN 24 -1.400 -6.282 -8.016 201 1HE2 GLN 24 2HE2 GLN 24 -3.290 -7.504 -8.091 202 2HE2 GLN 24 1HE2 GLN 24 -3.824 -8.393 -9.516 203 H GLU 25 H GLU 25 -4.226 -5.689 -6.939 204 HA GLU 25 HA GLU 25 -6.472 -5.693 -8.813 205 1HB GLU 25 1HB GLU 25 -6.213 -6.772 -5.961 206 2HB GLU 25 2HB GLU 25 -7.605 -7.053 -7.037 207 1HG GLU 25 1HG GLU 25 -4.768 -7.879 -7.632 208 2HG GLU 25 2HG GLU 25 -6.004 -8.958 -6.952 209 H ALA 26 H ALA 26 -5.773 -4.576 -5.559 210 HA ALA 26 HA ALA 26 -7.987 -3.112 -4.762 211 1HB ALA 26 1HB ALA 26 -5.055 -2.305 -4.724 212 2HB ALA 26 2HB ALA 26 -6.321 -1.602 -3.686 213 3HB ALA 26 3HB ALA 26 -5.852 -3.317 -3.498 214 H ASN 27 H ASN 27 -5.250 -2.077 -6.712 215 HA ASN 27 HA ASN 27 -6.016 0.413 -7.729 216 1HB ASN 27 1HB ASN 27 -4.099 -1.739 -8.211 217 2HB ASN 27 2HB ASN 27 -4.622 -1.015 -9.735 218 1HD2 ASN 27 2HD2 ASN 27 -2.656 -0.671 -6.976 219 2HD2 ASN 27 1HD2 ASN 27 -2.063 0.968 -7.222 220 H ARG 28 H ARG 28 -6.550 -2.866 -9.103 221 HA ARG 28 HA ARG 28 -7.636 -2.053 -11.624 222 1HB ARG 28 1HB ARG 28 -8.338 -4.452 -9.878 223 2HB ARG 28 2HB ARG 28 -8.820 -4.237 -11.573 224 1HG ARG 28 1HG ARG 28 -6.436 -4.114 -12.256 225 2HG ARG 28 2HG ARG 28 -5.949 -4.331 -10.567 226 1HD ARG 28 1HD ARG 28 -7.086 -6.557 -10.534 227 2HD ARG 28 2HD ARG 28 -7.512 -6.354 -12.239 228 HE ARG 28 HE ARG 28 -4.932 -7.092 -11.145 229 1HH1 ARG 28 2HH1 ARG 28 -6.565 -5.517 -13.829 230 2HH1 ARG 28 1HH1 ARG 28 -5.292 -5.806 -14.988 231 1HH2 ARG 28 1HH2 ARG 28 -3.148 -7.292 -12.559 232 2HH2 ARG 28 2HH2 ARG 28 -3.296 -6.862 -14.245 233 H PHE 29 H PHE 29 -9.159 -2.776 -8.481 234 HA PHE 29 HA PHE 29 -11.776 -2.022 -9.456 235 1HB PHE 29 1HB PHE 29 -10.660 -2.420 -6.669 236 2HB PHE 29 2HB PHE 29 -12.351 -2.004 -7.019 237 HD1 PHE 29 HD1 PHE 29 -11.219 -4.609 -5.713 238 HD2 PHE 29 HD2 PHE 29 -12.381 -3.625 -9.728 239 HE1 PHE 29 HE1 PHE 29 -11.861 -6.988 -6.116 240 HE2 PHE 29 HE2 PHE 29 -12.990 -5.984 -10.146 241 HZ PHE 29 HZ PHE 29 -12.695 -7.680 -8.346 242 H THR 30 H THR 30 -12.717 -0.217 -9.516 243 HA THR 30 HA THR 30 -11.023 2.166 -9.547 244 HB THR 30 HB THR 30 -13.952 1.676 -10.190 245 HG1 THR 30 HG1 THR 30 -11.889 0.826 -11.427 246 1HG2 THR 30 1HG2 THR 30 -13.811 3.800 -11.396 247 2HG2 THR 30 2HG2 THR 30 -13.501 4.020 -9.646 248 3HG2 THR 30 3HG2 THR 30 -12.132 4.019 -10.791 249 H SER 31 H SER 31 -10.866 1.545 -7.062 250 HA SER 31 HA SER 31 -12.751 3.176 -5.475 251 1HB SER 31 1HB SER 31 -11.106 0.717 -4.756 252 2HB SER 31 2HB SER 31 -12.282 1.526 -3.694 253 HG SER 31 HG SER 31 -13.068 -0.415 -4.882 254 H ASP 32 H ASP 32 -11.847 4.590 -3.991 255 HA ASP 32 HA ASP 32 -8.968 5.092 -4.158 256 1HB ASP 32 1HB ASP 32 -10.507 6.944 -3.888 257 2HB ASP 32 2HB ASP 32 -11.245 6.164 -2.468 258 H VAL 33 H VAL 33 -8.006 3.300 -3.534 259 HA VAL 33 HA VAL 33 -8.996 1.663 -1.338 260 HB VAL 33 HB VAL 33 -6.766 1.324 -3.360 261 1HG1 VAL 33 1HG1 VAL 33 -6.428 0.105 -1.186 262 2HG1 VAL 33 2HG1 VAL 33 -7.968 -0.738 -1.477 263 3HG1 VAL 33 3HG1 VAL 33 -6.604 -0.973 -2.606 264 1HG2 VAL 33 1HG2 VAL 33 -9.119 1.412 -4.201 265 2HG2 VAL 33 2HG2 VAL 33 -8.405 -0.203 -4.406 266 3HG2 VAL 33 3HG2 VAL 33 -9.562 0.104 -3.085 267 H PHE 34 H PHE 34 -7.905 1.019 0.463 268 HA PHE 34 HA PHE 34 -5.576 2.624 1.330 269 1HB PHE 34 1HB PHE 34 -8.274 2.508 2.721 270 2HB PHE 34 2HB PHE 34 -6.820 3.124 3.465 271 HD1 PHE 34 HD1 PHE 34 -9.695 3.952 1.554 272 HD2 PHE 34 HD2 PHE 34 -5.538 4.975 1.937 273 HE1 PHE 34 HE1 PHE 34 -10.155 6.191 0.603 274 HE2 PHE 34 HE2 PHE 34 -6.036 7.293 1.142 275 HZ PHE 34 HZ PHE 34 -8.386 7.928 0.610 276 H LEU 35 H LEU 35 -4.871 2.032 3.537 277 HA LEU 35 HA LEU 35 -5.705 -0.579 4.565 278 1HB LEU 35 1HB LEU 35 -3.962 -1.089 2.904 279 2HB LEU 35 2HB LEU 35 -2.820 -0.010 3.751 280 HG LEU 35 HG LEU 35 -4.231 -2.043 5.426 281 1HD1 LEU 35 1HD2 LEU 35 -2.118 -2.802 3.365 282 2HD1 LEU 35 2HD2 LEU 35 -2.673 -3.834 4.709 283 3HD1 LEU 35 3HD2 LEU 35 -3.805 -3.362 3.421 284 1HD2 LEU 35 1HD1 LEU 35 -1.333 -1.116 5.134 285 2HD2 LEU 35 2HD1 LEU 35 -2.508 -0.508 6.326 286 3HD2 LEU 35 3HD1 LEU 35 -1.956 -2.197 6.403 287 H GLU 36 H GLU 36 -5.869 -0.390 6.653 288 HA GLU 36 HA GLU 36 -4.752 2.039 7.998 289 1HB GLU 36 1HB GLU 36 -7.214 0.433 8.712 290 2HB GLU 36 2HB GLU 36 -6.859 2.121 9.165 291 1HG GLU 36 1HG GLU 36 -7.140 2.822 6.853 292 2HG GLU 36 2HG GLU 36 -7.368 1.154 6.337 293 H LYS 37 H LYS 37 -2.918 1.094 9.038 294 HA LYS 37 HA LYS 37 -2.839 -1.454 10.367 295 1HB LYS 37 1HB LYS 37 -1.233 1.123 10.593 296 2HB LYS 37 2HB LYS 37 -0.858 -0.344 11.509 297 1HG LYS 37 1HG LYS 37 -0.531 -1.650 9.523 298 2HG LYS 37 2HG LYS 37 -0.879 -0.232 8.519 299 1HD LYS 37 1HD LYS 37 1.617 -0.645 8.925 300 2HD LYS 37 2HD LYS 37 1.074 0.944 9.531 301 1HE LYS 37 1HE LYS 37 0.776 -0.024 11.789 302 2HE LYS 37 2HE LYS 37 1.316 -1.607 11.179 303 1HZ LYS 37 1HZ LYS 37 2.945 0.834 11.175 304 2HZ LYS 37 2HZ LYS 37 3.066 -0.402 12.259 305 3HZ LYS 37 3HZ LYS 37 3.404 -0.669 10.661 306 H ASP 38 H ASP 38 -4.712 -1.626 11.658 307 HA ASP 38 HA ASP 38 -6.103 -1.247 13.428 308 1HB ASP 38 1HB ASP 38 -3.455 -0.363 14.635 309 2HB ASP 38 2HB ASP 38 -4.954 -0.614 15.556 310 H GLY 39 H GLY 39 -5.788 0.859 11.429 311 1HA GLY 39 1HA GLY 39 -7.229 2.905 11.699 312 2HA GLY 39 2HA GLY 39 -6.288 3.211 13.179 313 H LYS 40 H LYS 40 -3.702 2.287 11.694 314 HA LYS 40 HA LYS 40 -2.994 4.914 10.719 315 1HB LYS 40 1HB LYS 40 -1.455 2.348 10.319 316 2HB LYS 40 2HB LYS 40 -0.810 3.992 10.420 317 1HG LYS 40 1HG LYS 40 -1.884 2.251 12.698 318 2HG LYS 40 2HG LYS 40 -0.217 2.750 12.391 319 1HD LYS 40 1HD LYS 40 -0.785 4.256 14.042 320 2HD LYS 40 2HD LYS 40 -1.179 5.205 12.598 321 1HE LYS 40 1HE LYS 40 -3.025 5.280 14.275 322 2HE LYS 40 2HE LYS 40 -3.537 4.451 12.785 323 1HZ LYS 40 1HZ LYS 40 -3.132 2.363 13.880 324 2HZ LYS 40 2HZ LYS 40 -2.666 3.133 15.263 325 3HZ LYS 40 3HZ LYS 40 -4.221 3.248 14.733 326 H LYS 41 H LYS 41 -4.657 5.051 9.017 327 HA LYS 41 HA LYS 41 -4.359 3.174 6.778 328 1HB LYS 41 1HB LYS 41 -6.507 3.459 7.548 329 2HB LYS 41 2HB LYS 41 -6.341 5.195 7.696 330 1HG LYS 41 1HG LYS 41 -6.261 3.957 4.928 331 2HG LYS 41 2HG LYS 41 -7.799 4.230 5.771 332 1HD LYS 41 1HD LYS 41 -6.932 6.602 6.305 333 2HD LYS 41 2HD LYS 41 -5.698 6.309 5.072 334 1HE LYS 41 1HE LYS 41 -7.640 7.490 4.117 335 2HE LYS 41 2HE LYS 41 -7.469 5.879 3.400 336 1HZ LYS 41 1HZ LYS 41 -9.158 5.101 4.895 337 2HZ LYS 41 2HZ LYS 41 -9.368 6.608 5.525 338 3HZ LYS 41 3HZ LYS 41 -9.717 6.314 3.938 339 H VAL 42 H VAL 42 -3.788 3.487 4.847 340 HA VAL 42 HA VAL 42 -3.169 6.133 3.642 341 HB VAL 42 HB VAL 42 -1.070 5.018 2.690 342 1HG1 VAL 42 1HG1 VAL 42 -0.879 6.694 4.485 343 2HG1 VAL 42 2HG1 VAL 42 -1.066 5.397 5.697 344 3HG1 VAL 42 3HG1 VAL 42 0.357 5.422 4.624 345 1HG2 VAL 42 1HG2 VAL 42 -1.763 2.697 3.255 346 2HG2 VAL 42 2HG2 VAL 42 -0.149 3.098 3.900 347 3HG2 VAL 42 3HG2 VAL 42 -1.565 3.087 4.984 348 H ASN 43 H ASN 43 -2.725 5.884 1.245 349 HA ASN 43 HA ASN 43 -4.740 4.300 -0.001 350 1HB ASN 43 1HB ASN 43 -2.436 6.031 -0.888 351 2HB ASN 43 2HB ASN 43 -3.207 4.944 -2.060 352 1HD2 ASN 43 2HD2 ASN 43 -5.845 4.905 -1.459 353 2HD2 ASN 43 1HD2 ASN 43 -6.506 6.517 -1.547 354 H ALA 44 H ALA 44 -4.747 2.401 0.188 355 HA ALA 44 HA ALA 44 -2.904 0.431 0.734 356 1HB ALA 44 1HB ALA 44 -5.343 0.306 -1.090 357 2HB ALA 44 2HB ALA 44 -4.618 -1.108 -0.303 358 3HB ALA 44 3HB ALA 44 -5.390 0.163 0.673 359 H LYS 45 H LYS 45 -3.948 1.629 -2.392 360 HA LYS 45 HA LYS 45 -2.373 -0.312 -3.952 361 1HB LYS 45 1HB LYS 45 -3.400 1.016 -5.859 362 2HB LYS 45 2HB LYS 45 -4.565 0.177 -4.806 363 1HG LYS 45 1HG LYS 45 -5.025 2.252 -3.594 364 2HG LYS 45 2HG LYS 45 -3.745 3.111 -4.489 365 1HD LYS 45 1HD LYS 45 -5.918 3.565 -5.428 366 2HD LYS 45 2HD LYS 45 -4.934 2.654 -6.606 367 1HE LYS 45 1HE LYS 45 -5.982 0.530 -5.891 368 2HE LYS 45 2HE LYS 45 -7.000 1.403 -4.729 369 1HZ LYS 45 1HZ LYS 45 -7.067 1.846 -7.641 370 2HZ LYS 45 2HZ LYS 45 -8.105 0.879 -6.801 371 3HZ LYS 45 3HZ LYS 45 -8.067 2.495 -6.495 372 H SER 46 H SER 46 -1.710 2.603 -2.417 373 HA SER 46 HA SER 46 0.191 3.505 -4.483 374 1HB SER 46 1HB SER 46 -0.657 4.764 -1.840 375 2HB SER 46 2HB SER 46 0.305 5.547 -3.111 376 HG SER 46 HG SER 46 -1.545 5.314 -4.492 377 H ILE 47 H ILE 47 2.299 3.844 -3.954 378 HA ILE 47 HA ILE 47 3.965 2.200 -2.801 379 HB ILE 47 HB ILE 47 4.515 4.245 -4.028 380 1HG1 ILE 47 1HG1 ILE 47 6.298 2.978 -2.797 381 2HG1 ILE 47 2HG1 ILE 47 6.653 4.692 -3.112 382 1HG2 ILE 47 1HG2 ILE 47 3.100 5.824 -2.717 383 2HG2 ILE 47 2HG2 ILE 47 4.252 5.696 -1.371 384 3HG2 ILE 47 3HG2 ILE 47 4.774 6.406 -2.913 385 1HD1 ILE 47 1HD1 ILE 47 5.908 5.254 -0.796 386 2HD1 ILE 47 2HD1 ILE 47 5.715 3.519 -0.469 387 3HD1 ILE 47 3HD1 ILE 47 7.323 4.181 -0.841 388 H MET 48 H MET 48 2.806 4.964 -0.757 389 HA MET 48 HA MET 48 4.014 3.836 1.586 390 1HB MET 48 1HB MET 48 3.706 6.231 1.353 391 2HB MET 48 2HB MET 48 1.956 6.030 1.130 392 1HG MET 48 1HG MET 48 1.850 5.019 3.439 393 2HG MET 48 2HG MET 48 3.586 5.323 3.609 394 1HE MET 48 1HE MET 48 3.813 8.033 2.087 395 2HE MET 48 2HE MET 48 3.729 9.218 3.418 396 3HE MET 48 3HE MET 48 4.660 7.709 3.620 397 H GLY 49 H GLY 49 0.902 3.343 0.041 398 1HA GLY 49 1HA GLY 49 -0.449 2.365 2.409 399 2HA GLY 49 2HA GLY 49 -0.951 2.157 0.705 400 H LEU 50 H LEU 50 1.014 0.787 -0.532 401 HA LEU 50 HA LEU 50 0.835 -1.818 0.578 402 1HB LEU 50 1HB LEU 50 0.977 -0.993 -1.863 403 2HB LEU 50 2HB LEU 50 2.716 -0.779 -1.578 404 HG LEU 50 HG LEU 50 1.143 -3.382 -1.474 405 1HD1 LEU 50 1HD1 LEU 50 1.700 -2.442 -3.730 406 2HD1 LEU 50 2HD1 LEU 50 3.412 -2.390 -3.256 407 3HD1 LEU 50 3HD1 LEU 50 2.572 -3.963 -3.389 408 1HD2 LEU 50 1HD2 LEU 50 2.968 -3.334 0.213 409 2HD2 LEU 50 2HD2 LEU 50 3.301 -4.473 -1.127 410 3HD2 LEU 50 3HD2 LEU 50 4.112 -2.881 -1.068 411 H MET 51 H MET 51 3.705 0.231 -0.156 412 HA MET 51 HA MET 51 5.458 -1.687 1.070 413 1HB MET 51 1HB MET 51 5.954 -0.405 -0.967 414 2HB MET 51 2HB MET 51 5.970 1.108 -0.048 415 1HG MET 51 1HG MET 51 7.823 -1.205 0.605 416 2HG MET 51 2HG MET 51 8.202 -0.016 -0.645 417 1HE MET 51 1HE MET 51 8.262 2.609 -0.216 418 2HE MET 51 2HE MET 51 6.785 2.550 0.778 419 3HE MET 51 3HE MET 51 8.258 3.334 1.412 420 H SER 52 H SER 52 4.097 1.506 2.055 421 HA SER 52 HA SER 52 5.959 1.520 4.301 422 1HB SER 52 1HB SER 52 3.583 3.335 3.825 423 2HB SER 52 2HB SER 52 4.961 3.627 4.918 424 HG SER 52 HG SER 52 6.253 3.317 2.876 425 H LEU 53 H LEU 53 2.348 1.714 4.372 426 HA LEU 53 HA LEU 53 2.463 0.759 7.124 427 1HB LEU 53 1HB LEU 53 0.190 1.581 5.293 428 2HB LEU 53 2HB LEU 53 -0.012 1.065 6.983 429 HG LEU 53 HG LEU 53 1.540 2.873 7.720 430 1HD1 LEU 53 1HD2 LEU 53 1.311 3.843 4.839 431 2HD1 LEU 53 2HD2 LEU 53 2.050 4.735 6.190 432 3HD1 LEU 53 3HD2 LEU 53 2.795 3.227 5.607 433 1HD2 LEU 53 1HD1 LEU 53 -0.921 3.101 7.648 434 2HD2 LEU 53 2HD1 LEU 53 -0.100 4.662 7.353 435 3HD2 LEU 53 3HD1 LEU 53 -0.797 3.744 5.993 436 H ALA 54 H ALA 54 0.925 -0.439 4.125 437 HA ALA 54 HA ALA 54 -0.139 -2.820 5.138 438 1HB ALA 54 1HB ALA 54 -0.647 -1.745 2.904 439 2HB ALA 54 2HB ALA 54 0.917 -2.322 2.325 440 3HB ALA 54 3HB ALA 54 -0.328 -3.487 2.800 441 H VAL 55 H VAL 55 3.187 -2.053 4.210 442 HA VAL 55 HA VAL 55 4.157 -4.675 4.154 443 HB VAL 55 HB VAL 55 5.253 -2.395 3.519 444 1HG1 VAL 55 1HG2 VAL 55 5.204 -1.517 5.872 445 2HG1 VAL 55 2HG2 VAL 55 6.336 -2.810 6.345 446 3HG1 VAL 55 3HG2 VAL 55 6.841 -1.554 5.184 447 1HG2 VAL 55 1HG1 VAL 55 6.228 -4.656 3.172 448 2HG2 VAL 55 2HG1 VAL 55 7.456 -3.428 3.570 449 3HG2 VAL 55 3HG1 VAL 55 6.918 -4.587 4.811 450 H SER 56 H SER 56 2.833 -3.160 6.914 451 HA SER 56 HA SER 56 4.711 -4.253 8.790 452 1HB SER 56 1HB SER 56 1.871 -3.309 9.260 453 2HB SER 56 2HB SER 56 3.140 -3.473 10.479 454 HG SER 56 HG SER 56 3.096 -1.706 8.237 455 H THR 57 H THR 57 4.509 -6.496 7.525 456 HA THR 57 HA THR 57 2.648 -8.415 7.815 457 HB THR 57 HB THR 57 5.512 -8.746 8.749 458 HG1 THR 57 HG1 THR 57 4.720 -9.133 6.077 459 1HG2 THR 57 1HG2 THR 57 5.204 -10.991 7.630 460 2HG2 THR 57 2HG2 THR 57 4.175 -10.745 9.066 461 3HG2 THR 57 3HG2 THR 57 3.474 -10.601 7.438 462 H GLY 58 H GLY 58 1.385 -9.204 9.404 463 1HA GLY 58 1HA GLY 58 0.888 -10.034 11.547 464 2HA GLY 58 2HA GLY 58 2.373 -9.298 12.167 465 H THR 59 H THR 59 0.829 -6.784 10.479 466 HA THR 59 HA THR 59 -0.337 -5.890 13.057 467 HB THR 59 HB THR 59 -0.079 -4.276 10.485 468 HG1 THR 59 HG1 THR 59 1.950 -5.117 11.192 469 1HG2 THR 59 1HG2 THR 59 -0.018 -2.370 12.057 470 2HG2 THR 59 2HG2 THR 59 -1.529 -3.294 12.218 471 3HG2 THR 59 3HG2 THR 59 -0.232 -3.484 13.422 472 H GLU 60 H GLU 60 -2.637 -5.277 13.163 473 HA GLU 60 HA GLU 60 -4.166 -6.606 11.018 474 1HB GLU 60 1HB GLU 60 -5.469 -5.185 13.321 475 2HB GLU 60 2HB GLU 60 -5.977 -6.647 12.423 476 1HG GLU 60 1HG GLU 60 -3.677 -6.487 14.424 477 2HG GLU 60 2HG GLU 60 -5.272 -7.174 14.739 478 H VAL 61 H VAL 61 -4.048 -5.305 9.294 479 HA VAL 61 HA VAL 61 -4.814 -2.454 9.691 480 HB VAL 61 HB VAL 61 -3.413 -1.905 7.770 481 1HG1 VAL 61 1HG1 VAL 61 -2.031 -3.899 9.639 482 2HG1 VAL 61 2HG1 VAL 61 -1.198 -2.667 8.660 483 3HG1 VAL 61 3HG1 VAL 61 -2.263 -2.178 10.003 484 1HG2 VAL 61 1HG2 VAL 61 -2.765 -4.872 7.722 485 2HG2 VAL 61 2HG2 VAL 61 -3.733 -4.004 6.481 486 3HG2 VAL 61 3HG2 VAL 61 -2.004 -3.603 6.734 487 H THR 62 H THR 62 -6.561 -1.717 8.657 488 HA THR 62 HA THR 62 -8.185 -3.753 7.271 489 HB THR 62 HB THR 62 -8.854 -0.851 7.891 490 HG1 THR 62 HG1 THR 62 -8.565 -2.231 9.776 491 1HG2 THR 62 1HG2 THR 62 -10.618 -3.247 7.207 492 2HG2 THR 62 2HG2 THR 62 -11.159 -1.572 7.434 493 3HG2 THR 62 3HG2 THR 62 -10.156 -1.993 6.036 494 H LEU 63 H LEU 63 -8.394 -4.035 5.124 495 HA LEU 63 HA LEU 63 -7.049 -2.156 3.311 496 1HB LEU 63 1HB LEU 63 -6.821 -4.703 3.315 497 2HB LEU 63 2HB LEU 63 -8.484 -4.768 2.706 498 HG LEU 63 HG LEU 63 -6.755 -4.916 0.957 499 1HD1 LEU 63 1HD2 LEU 63 -8.964 -3.958 0.377 500 2HD1 LEU 63 2HD2 LEU 63 -8.358 -2.331 0.780 501 3HD1 LEU 63 3HD2 LEU 63 -7.657 -3.227 -0.585 502 1HD2 LEU 63 1HD1 LEU 63 -5.068 -3.460 2.075 503 2HD2 LEU 63 2HD1 LEU 63 -5.369 -2.980 0.389 504 3HD2 LEU 63 3HD1 LEU 63 -6.087 -2.044 1.718 505 H ILE 64 H ILE 64 -8.190 -0.589 2.482 506 HA ILE 64 HA ILE 64 -11.166 -0.595 2.502 507 HB ILE 64 HB ILE 64 -9.249 1.717 2.045 508 1HG1 ILE 64 1HG1 ILE 64 -10.442 0.831 4.680 509 2HG1 ILE 64 2HG1 ILE 64 -8.721 0.971 4.259 510 1HG2 ILE 64 1HG2 ILE 64 -12.180 1.581 2.840 511 2HG2 ILE 64 2HG2 ILE 64 -11.228 3.075 2.653 512 3HG2 ILE 64 3HG2 ILE 64 -11.531 2.033 1.244 513 1HD1 ILE 64 1HD1 ILE 64 -10.745 3.252 4.254 514 2HD1 ILE 64 2HD1 ILE 64 -9.598 2.926 5.581 515 3HD1 ILE 64 3HD1 ILE 64 -8.997 3.408 3.968 516 H ALA 65 H ALA 65 -12.274 -0.111 0.625 517 HA ALA 65 HA ALA 65 -10.777 0.778 -1.733 518 1HB ALA 65 1HB ALA 65 -12.774 -1.520 -1.840 519 2HB ALA 65 2HB ALA 65 -12.031 -0.717 -3.244 520 3HB ALA 65 3HB ALA 65 -11.020 -1.661 -2.133 521 H GLN 66 H GLN 66 -11.651 2.760 -1.869 522 HA GLN 66 HA GLN 66 -14.574 2.877 -1.412 523 1HB GLN 66 1HB GLN 66 -14.171 4.703 -0.086 524 2HB GLN 66 2HB GLN 66 -12.604 3.940 -0.009 525 1HG GLN 66 1HG GLN 66 -11.630 5.787 -0.666 526 2HG GLN 66 2HG GLN 66 -12.391 5.554 -2.260 527 1HE2 GLN 66 2HE2 GLN 66 -12.736 7.139 0.922 528 2HE2 GLN 66 1HE2 GLN 66 -13.851 8.373 0.359 529 H GLY 67 H GLY 67 -14.614 2.010 -3.619 530 1HA GLY 67 1HA GLY 67 -14.741 4.229 -5.588 531 2HA GLY 67 2HA GLY 67 -13.756 2.824 -5.913 532 H GLU 68 H GLU 68 -15.081 2.755 -7.764 533 HA GLU 68 HA GLU 68 -17.737 1.903 -7.950 534 1HB GLU 68 1HB GLU 68 -15.315 0.985 -9.566 535 2HB GLU 68 2HB GLU 68 -17.014 0.893 -10.069 536 1HG GLU 68 1HG GLU 68 -15.440 3.450 -9.551 537 2HG GLU 68 2HG GLU 68 -15.984 2.825 -11.125 538 H ASP 69 H ASP 69 -14.731 0.015 -7.027 539 HA ASP 69 HA ASP 69 -16.632 -2.245 -6.613 540 1HB ASP 69 1HB ASP 69 -13.675 -2.636 -6.879 541 2HB ASP 69 2HB ASP 69 -14.970 -3.812 -7.051 542 H GLU 70 H GLU 70 -16.622 -0.179 -4.756 543 HA GLU 70 HA GLU 70 -14.454 -0.271 -3.012 544 1HB GLU 70 1HB GLU 70 -16.030 0.675 -1.352 545 2HB GLU 70 2HB GLU 70 -16.033 1.482 -2.920 546 1HG GLU 70 1HG GLU 70 -18.204 1.391 -2.902 547 2HG GLU 70 2HG GLU 70 -18.063 -0.337 -3.267 548 H GLN 71 H GLN 71 -17.568 -1.853 -2.128 549 HA GLN 71 HA GLN 71 -16.595 -3.510 -0.162 550 1HB GLN 71 1HB GLN 71 -18.836 -3.689 -2.178 551 2HB GLN 71 2HB GLN 71 -18.429 -5.141 -1.236 552 1HG GLN 71 1HG GLN 71 -19.186 -2.450 -0.050 553 2HG GLN 71 2HG GLN 71 -20.194 -3.909 -0.116 554 1HE2 GLN 71 2HE2 GLN 71 -17.534 -5.539 0.361 555 2HE2 GLN 71 1HE2 GLN 71 -17.349 -5.390 2.102 556 H GLU 72 H GLU 72 -16.705 -4.173 -3.649 557 HA GLU 72 HA GLU 72 -15.963 -6.881 -3.523 558 1HB GLU 72 1HB GLU 72 -16.936 -5.924 -5.544 559 2HB GLU 72 2HB GLU 72 -15.750 -4.609 -5.535 560 1HG GLU 72 1HG GLU 72 -15.272 -6.066 -7.367 561 2HG GLU 72 2HG GLU 72 -13.962 -6.146 -6.194 562 H ALA 73 H ALA 73 -14.023 -3.894 -4.057 563 HA ALA 73 HA ALA 73 -11.532 -5.203 -4.452 564 1HB ALA 73 1HB ALA 73 -12.238 -2.963 -5.197 565 2HB ALA 73 2HB ALA 73 -12.422 -2.471 -3.516 566 3HB ALA 73 3HB ALA 73 -10.777 -2.821 -4.155 567 H LEU 74 H LEU 74 -12.924 -3.466 -1.659 568 HA LEU 74 HA LEU 74 -10.718 -3.879 0.075 569 1HB LEU 74 1HB LEU 74 -12.298 -3.147 1.810 570 2HB LEU 74 2HB LEU 74 -12.411 -2.214 0.289 571 HG LEU 74 HG LEU 74 -14.242 -3.948 -0.364 572 1HD1 LEU 74 1HD1 LEU 74 -14.049 -5.286 1.743 573 2HD1 LEU 74 2HD1 LEU 74 -14.587 -3.849 2.658 574 3HD1 LEU 74 3HD1 LEU 74 -15.673 -4.605 1.465 575 1HD2 LEU 74 1HD2 LEU 74 -14.439 -1.523 -0.221 576 2HD2 LEU 74 2HD2 LEU 74 -15.890 -2.312 0.416 577 3HD2 LEU 74 3HD2 LEU 74 -14.686 -1.627 1.537 578 H GLU 75 H GLU 75 -13.674 -5.891 -0.442 579 HA GLU 75 HA GLU 75 -12.976 -7.816 1.525 580 1HB GLU 75 1HB GLU 75 -14.536 -8.095 -1.097 581 2HB GLU 75 2HB GLU 75 -14.493 -9.327 0.179 582 1HG GLU 75 1HG GLU 75 -15.509 -7.769 1.776 583 2HG GLU 75 2HG GLU 75 -15.497 -6.487 0.536 584 H LYS 76 H LYS 76 -12.506 -8.105 -2.078 585 HA LYS 76 HA LYS 76 -11.069 -10.556 -1.660 586 1HB LYS 76 1HB LYS 76 -10.213 -10.141 -4.049 587 2HB LYS 76 2HB LYS 76 -11.935 -10.446 -3.755 588 1HG LYS 76 1HG LYS 76 -11.900 -8.749 -5.361 589 2HG LYS 76 2HG LYS 76 -12.328 -7.983 -3.832 590 1HD LYS 76 1HD LYS 76 -10.777 -6.482 -4.669 591 2HD LYS 76 2HD LYS 76 -9.756 -7.479 -3.629 592 1HE LYS 76 1HE LYS 76 -10.090 -7.683 -6.669 593 2HE LYS 76 2HE LYS 76 -8.677 -7.065 -5.797 594 1HZ LYS 76 1HZ LYS 76 -8.406 -9.250 -4.840 595 2HZ LYS 76 2HZ LYS 76 -9.692 -9.812 -5.704 596 3HZ LYS 76 3HZ LYS 76 -8.332 -9.310 -6.490 597 H LEU 77 H LEU 77 -9.886 -7.199 -1.875 598 HA LEU 77 HA LEU 77 -7.153 -7.912 -1.994 599 1HB LEU 77 1HB LEU 77 -8.847 -5.684 -2.090 600 2HB LEU 77 2HB LEU 77 -7.680 -5.331 -0.787 601 HG LEU 77 HG LEU 77 -7.115 -4.665 -3.256 602 1HD1 LEU 77 1HD1 LEU 77 -5.692 -4.768 -1.295 603 2HD1 LEU 77 2HD1 LEU 77 -5.383 -6.508 -1.618 604 3HD1 LEU 77 3HD1 LEU 77 -4.827 -5.261 -2.794 605 1HD2 LEU 77 1HD2 LEU 77 -6.646 -7.687 -3.275 606 2HD2 LEU 77 2HD2 LEU 77 -7.823 -6.831 -4.296 607 3HD2 LEU 77 3HD2 LEU 77 -6.073 -6.568 -4.532 608 H ALA 78 H ALA 78 -9.154 -6.723 0.869 609 HA ALA 78 HA ALA 78 -6.955 -7.126 2.661 610 1HB ALA 78 1HB ALA 78 -9.944 -7.093 3.240 611 2HB ALA 78 2HB ALA 78 -8.653 -6.974 4.448 612 3HB ALA 78 3HB ALA 78 -8.858 -5.680 3.262 613 H ALA 79 H ALA 79 -9.550 -9.300 1.478 614 HA ALA 79 HA ALA 79 -9.076 -11.413 3.333 615 1HB ALA 79 1HB ALA 79 -10.946 -11.254 1.711 616 2HB ALA 79 2HB ALA 79 -9.749 -11.459 0.384 617 3HB ALA 79 3HB ALA 79 -10.051 -12.796 1.541 618 H TYR 80 H TYR 80 -7.689 -10.688 0.063 619 HA TYR 80 HA TYR 80 -6.059 -12.991 -0.038 620 1HB TYR 80 1HB TYR 80 -6.974 -11.535 -1.805 621 2HB TYR 80 2HB TYR 80 -5.770 -10.312 -1.404 622 HD1 TYR 80 HD1 TYR 80 -4.868 -10.350 -3.697 623 HD2 TYR 80 HD2 TYR 80 -4.765 -13.838 -1.177 624 HE1 TYR 80 HE1 TYR 80 -2.952 -11.247 -5.004 625 HE2 TYR 80 HE2 TYR 80 -2.874 -14.742 -2.500 626 HH TYR 80 HH TYR 80 -1.467 -14.399 -4.267 627 H VAL 81 H VAL 81 -5.430 -9.732 1.302 628 HA VAL 81 HA VAL 81 -2.595 -10.002 1.311 629 HB VAL 81 HB VAL 81 -2.635 -8.050 2.793 630 1HG1 VAL 81 1HG1 VAL 81 -3.199 -7.804 0.369 631 2HG1 VAL 81 2HG1 VAL 81 -4.908 -8.007 0.772 632 3HG1 VAL 81 3HG1 VAL 81 -4.024 -6.578 1.378 633 1HG2 VAL 81 1HG2 VAL 81 -5.596 -8.739 2.971 634 2HG2 VAL 81 2HG2 VAL 81 -4.437 -8.809 4.309 635 3HG2 VAL 81 3HG2 VAL 81 -4.882 -7.234 3.602 636 H GLN 82 H GLN 82 -5.041 -11.154 3.545 637 HA GLN 82 HA GLN 82 -2.917 -11.840 5.482 638 1HB GLN 82 1HB GLN 82 -4.751 -11.454 7.059 639 2HB GLN 82 2HB GLN 82 -4.747 -10.171 5.852 640 1HG GLN 82 1HG GLN 82 -6.580 -11.413 4.649 641 2HG GLN 82 2HG GLN 82 -6.457 -12.704 5.844 642 1HE2 GLN 82 2HE2 GLN 82 -8.078 -10.002 5.018 643 2HE2 GLN 82 1HE2 GLN 82 -8.614 -9.441 6.601 644 H GLU 83 H GLU 83 -5.489 -13.277 3.504 645 HA GLU 83 HA GLU 83 -6.201 -15.337 5.252 646 1HB GLU 83 1HB GLU 83 -7.424 -16.274 3.358 647 2HB GLU 83 2HB GLU 83 -7.584 -14.491 3.484 648 1HG GLU 83 1HG GLU 83 -5.937 -14.173 1.733 649 2HG GLU 83 2HG GLU 83 -5.681 -15.922 1.593 650 H GLU 84 H GLU 84 -3.999 -15.899 2.351 651 HA GLU 84 HA GLU 84 -3.513 -18.546 3.559 652 1HB GLU 84 1HB GLU 84 -2.180 -18.945 1.524 653 2HB GLU 84 2HB GLU 84 -3.838 -18.473 1.128 654 1HG GLU 84 1HG GLU 84 -1.788 -16.251 1.270 655 2HG GLU 84 2HG GLU 84 -1.704 -17.403 -0.094 656 H VAL 85 H VAL 85 -0.731 -17.915 2.066 657 HA VAL 85 HA VAL 85 0.673 -16.248 4.067 658 HB VAL 85 HB VAL 85 2.485 -18.031 4.239 659 1HG1 VAL 85 1HG1 VAL 85 -0.133 -18.949 5.625 660 2HG1 VAL 85 2HG1 VAL 85 1.512 -19.488 6.046 661 3HG1 VAL 85 3HG1 VAL 85 1.063 -17.810 6.289 662 1HG2 VAL 85 1HG2 VAL 85 1.762 -19.566 2.356 663 2HG2 VAL 85 2HG2 VAL 85 2.001 -20.440 3.873 664 3HG2 VAL 85 3HG2 VAL 85 0.349 -20.076 3.310 Start of MODEL 4 1 1H VAL 2 1H VAL 2 -16.822 6.303 -2.419 2 2H VAL 2 2H VAL 2 -17.350 5.097 -3.466 3 3H VAL 2 3H VAL 2 -18.324 6.434 -3.163 4 HA VAL 2 HA VAL 2 -18.580 5.807 -0.889 5 HB VAL 2 HB VAL 2 -19.850 3.671 -1.293 6 1HG1 VAL 2 1HG2 VAL 2 -20.849 5.897 -1.675 7 2HG1 VAL 2 2HG2 VAL 2 -20.227 5.893 -3.343 8 3HG1 VAL 2 3HG2 VAL 2 -21.461 4.709 -2.850 9 1HG2 VAL 2 1HG1 VAL 2 -18.328 2.730 -3.032 10 2HG2 VAL 2 2HG1 VAL 2 -20.017 2.822 -3.591 11 3HG2 VAL 2 3HG1 VAL 2 -18.826 4.023 -4.146 12 H GLN 3 H GLN 3 -17.696 4.798 0.899 13 HA GLN 3 HA GLN 3 -15.358 3.105 0.224 14 1HB GLN 3 1HB GLN 3 -14.929 5.350 1.282 15 2HB GLN 3 2HB GLN 3 -15.842 4.794 2.705 16 1HG GLN 3 1HG GLN 3 -14.234 2.817 2.818 17 2HG GLN 3 2HG GLN 3 -13.230 3.655 1.618 18 1HE2 GLN 3 2HE2 GLN 3 -13.728 6.369 2.642 19 2HE2 GLN 3 1HE2 GLN 3 -12.854 6.441 4.164 20 H GLN 4 H GLN 4 -14.903 1.263 1.220 21 HA GLN 4 HA GLN 4 -16.229 0.459 3.681 22 1HB GLN 4 1HB GLN 4 -16.140 -1.292 1.186 23 2HB GLN 4 2HB GLN 4 -16.614 -1.827 2.805 24 1HG GLN 4 1HG GLN 4 -18.537 -0.264 2.741 25 2HG GLN 4 2HG GLN 4 -18.052 0.234 1.103 26 1HE2 GLN 4 2HE2 GLN 4 -20.094 -0.582 0.230 27 2HE2 GLN 4 1HE2 GLN 4 -20.359 -2.306 0.083 28 H LYS 5 H LYS 5 -14.807 -1.318 4.675 29 HA LYS 5 HA LYS 5 -12.300 -1.890 3.349 30 1HB LYS 5 1HB LYS 5 -11.030 -0.931 5.348 31 2HB LYS 5 2HB LYS 5 -11.714 0.222 4.189 32 1HG LYS 5 1HG LYS 5 -13.786 0.297 5.728 33 2HG LYS 5 2HG LYS 5 -12.731 -0.434 6.958 34 1HD LYS 5 1HD LYS 5 -11.077 1.454 6.480 35 2HD LYS 5 2HD LYS 5 -12.312 2.194 5.433 36 1HE LYS 5 1HE LYS 5 -12.347 3.204 7.649 37 2HE LYS 5 2HE LYS 5 -13.855 2.298 7.396 38 1HZ LYS 5 1HZ LYS 5 -11.485 1.306 8.829 39 2HZ LYS 5 2HZ LYS 5 -12.842 1.905 9.560 40 3HZ LYS 5 3HZ LYS 5 -12.922 0.514 8.676 41 H VAL 6 H VAL 6 -11.630 -3.856 4.031 42 HA VAL 6 HA VAL 6 -13.082 -4.986 6.383 43 HB VAL 6 HB VAL 6 -12.708 -7.227 5.218 44 1HG1 VAL 6 1HG2 VAL 6 -14.472 -5.124 3.897 45 2HG1 VAL 6 2HG2 VAL 6 -14.691 -6.885 3.764 46 3HG1 VAL 6 3HG2 VAL 6 -14.889 -6.078 5.340 47 1HG2 VAL 6 1HG1 VAL 6 -11.033 -6.412 3.548 48 2HG2 VAL 6 2HG1 VAL 6 -12.449 -7.161 2.769 49 3HG2 VAL 6 3HG1 VAL 6 -12.290 -5.389 2.817 50 H GLU 7 H GLU 7 -11.814 -5.654 8.065 51 HA GLU 7 HA GLU 7 -8.940 -5.298 7.580 52 1HB GLU 7 1HB GLU 7 -9.843 -4.118 9.451 53 2HB GLU 7 2HB GLU 7 -10.529 -5.598 10.176 54 1HG GLU 7 1HG GLU 7 -7.552 -5.339 9.675 55 2HG GLU 7 2HG GLU 7 -8.306 -4.588 11.095 56 H VAL 8 H VAL 8 -7.403 -6.676 8.017 57 HA VAL 8 HA VAL 8 -7.802 -9.503 8.625 58 HB VAL 8 HB VAL 8 -6.610 -10.019 6.377 59 1HG1 VAL 8 1HG1 VAL 8 -9.477 -9.022 6.507 60 2HG1 VAL 8 2HG1 VAL 8 -8.793 -10.081 5.229 61 3HG1 VAL 8 3HG1 VAL 8 -8.870 -10.654 6.910 62 1HG2 VAL 8 1HG2 VAL 8 -7.810 -7.281 5.739 63 2HG2 VAL 8 2HG2 VAL 8 -6.076 -7.683 5.731 64 3HG2 VAL 8 3HG2 VAL 8 -7.175 -8.422 4.534 65 H ARG 9 H ARG 9 -5.582 -10.550 8.745 66 HA ARG 9 HA ARG 9 -3.731 -8.471 9.706 67 1HB ARG 9 1HB ARG 9 -3.849 -10.567 10.977 68 2HB ARG 9 2HB ARG 9 -3.222 -11.461 9.551 69 1HG ARG 9 1HG ARG 9 -1.127 -10.160 9.677 70 2HG ARG 9 2HG ARG 9 -1.820 -9.181 10.996 71 1HD ARG 9 1HD ARG 9 -1.436 -12.196 11.119 72 2HD ARG 9 2HD ARG 9 -0.325 -11.001 11.837 73 HE ARG 9 HE ARG 9 -2.831 -10.314 12.784 74 1HH1 ARG 9 1HH2 ARG 9 -0.753 -13.156 12.933 75 2HH1 ARG 9 2HH2 ARG 9 -1.341 -13.697 14.483 76 1HH2 ARG 9 2HH1 ARG 9 -3.594 -10.954 14.807 77 2HH2 ARG 9 1HH1 ARG 9 -3.016 -12.412 15.583 78 H LEU 10 H LEU 10 -1.912 -7.878 8.813 79 HA LEU 10 HA LEU 10 -1.702 -8.038 5.982 80 1HB LEU 10 1HB LEU 10 -1.162 -6.150 7.624 81 2HB LEU 10 2HB LEU 10 0.298 -7.040 8.090 82 HG LEU 10 HG LEU 10 1.270 -6.695 5.899 83 1HD1 LEU 10 1HD1 LEU 10 -1.447 -5.505 5.163 84 2HD1 LEU 10 2HD1 LEU 10 0.006 -5.513 4.134 85 3HD1 LEU 10 3HD1 LEU 10 -0.795 -7.047 4.553 86 1HD2 LEU 10 1HD2 LEU 10 1.247 -4.856 7.591 87 2HD2 LEU 10 2HD2 LEU 10 1.301 -4.257 5.921 88 3HD2 LEU 10 3HD2 LEU 10 -0.231 -4.205 6.836 89 H LYS 11 H LYS 11 -1.625 -10.403 5.886 90 HA LYS 11 HA LYS 11 0.573 -11.893 6.992 91 1HB LYS 11 1HB LYS 11 -1.515 -12.956 6.679 92 2HB LYS 11 2HB LYS 11 -1.661 -12.374 5.014 93 1HG LYS 11 1HG LYS 11 0.583 -14.242 5.789 94 2HG LYS 11 2HG LYS 11 -1.044 -14.857 5.466 95 1HD LYS 11 1HD LYS 11 0.795 -13.368 3.566 96 2HD LYS 11 2HD LYS 11 0.005 -14.950 3.342 97 1HE LYS 11 1HE LYS 11 -2.229 -13.724 3.479 98 2HE LYS 11 2HE LYS 11 -1.300 -12.203 3.515 99 1HZ LYS 11 1HZ LYS 11 -1.270 -14.136 1.303 100 2HZ LYS 11 2HZ LYS 11 -2.129 -12.741 1.350 101 3HZ LYS 11 3HZ LYS 11 -0.482 -12.686 1.356 102 H THR 12 H THR 12 0.192 -10.000 4.048 103 HA THR 12 HA THR 12 2.567 -11.239 2.879 104 HB THR 12 HB THR 12 2.497 -9.234 1.343 105 HG1 THR 12 HG1 THR 12 0.711 -7.907 1.454 106 1HG2 THR 12 1HG2 THR 12 0.442 -9.918 0.160 107 2HG2 THR 12 2HG2 THR 12 1.408 -11.303 0.709 108 3HG2 THR 12 3HG2 THR 12 -0.061 -10.838 1.606 109 H GLY 13 H GLY 13 1.632 -8.109 4.182 110 1HA GLY 13 1HA GLY 13 2.862 -6.436 5.315 111 2HA GLY 13 2HA GLY 13 4.305 -7.499 5.327 112 H LEU 14 H LEU 14 2.233 -7.021 2.597 113 HA LEU 14 HA LEU 14 2.681 -6.450 0.414 114 1HB LEU 14 1HB LEU 14 2.962 -4.020 2.137 115 2HB LEU 14 2HB LEU 14 3.090 -3.887 0.395 116 HG LEU 14 HG LEU 14 0.786 -3.462 1.174 117 1HD1 LEU 14 1HD2 LEU 14 1.011 -4.470 -1.064 118 2HD1 LEU 14 2HD2 LEU 14 0.915 -6.089 -0.334 119 3HD1 LEU 14 3HD2 LEU 14 -0.478 -4.986 -0.248 120 1HD2 LEU 14 1HD1 LEU 14 0.786 -4.938 3.157 121 2HD2 LEU 14 2HD1 LEU 14 -0.618 -5.236 2.102 122 3HD2 LEU 14 3HD1 LEU 14 0.764 -6.359 2.092 123 H GLN 15 H GLN 15 4.664 -7.932 0.431 124 HA GLN 15 HA GLN 15 7.096 -6.226 0.443 125 1HB GLN 15 1HB GLN 15 6.862 -9.240 0.580 126 2HB GLN 15 2HB GLN 15 8.370 -8.305 0.690 127 1HG GLN 15 1HG GLN 15 7.447 -7.100 2.669 128 2HG GLN 15 2HG GLN 15 6.003 -8.127 2.604 129 1HE2 GLN 15 2HE2 GLN 15 6.068 -10.077 3.730 130 2HE2 GLN 15 1HE2 GLN 15 7.550 -10.809 4.299 131 H ALA 16 H ALA 16 6.228 -9.146 -1.594 132 HA ALA 16 HA ALA 16 7.285 -7.511 -3.836 133 1HB ALA 16 1HB ALA 16 9.240 -8.566 -2.823 134 2HB ALA 16 2HB ALA 16 8.484 -10.169 -3.001 135 3HB ALA 16 3HB ALA 16 8.927 -9.228 -4.447 136 H ARG 17 H ARG 17 5.133 -10.090 -2.811 137 HA ARG 17 HA ARG 17 4.598 -10.410 -5.727 138 1HB ARG 17 1HB ARG 17 5.969 -12.279 -4.773 139 2HB ARG 17 2HB ARG 17 4.554 -12.752 -3.810 140 1HG ARG 17 1HG ARG 17 4.824 -13.978 -5.995 141 2HG ARG 17 2HG ARG 17 3.260 -13.144 -5.856 142 1HD ARG 17 1HD ARG 17 5.552 -11.625 -7.081 143 2HD ARG 17 2HD ARG 17 4.820 -12.928 -8.030 144 HE ARG 17 HE ARG 17 2.631 -11.832 -7.726 145 1HH1 ARG 17 1HH2 ARG 17 5.484 -9.747 -7.152 146 2HH1 ARG 17 2HH2 ARG 17 4.806 -8.421 -8.031 147 1HH2 ARG 17 2HH1 ARG 17 1.688 -9.980 -8.611 148 2HH2 ARG 17 1HH1 ARG 17 2.583 -8.491 -8.741 149 HA PRO 18 HA PRO 18 0.407 -11.577 -3.652 150 1HB PRO 18 1HB PRO 18 0.259 -11.308 -0.914 151 2HB PRO 18 2HB PRO 18 0.683 -12.847 -1.738 152 1HG PRO 18 1HG PRO 18 2.614 -10.729 -0.697 153 2HG PRO 18 2HG PRO 18 2.631 -12.459 -0.300 154 1HD PRO 18 1HD PRO 18 4.206 -11.532 -2.240 155 2HD PRO 18 2HD PRO 18 3.245 -13.009 -2.597 156 H ALA 19 H ALA 19 2.268 -9.287 -1.593 157 HA ALA 19 HA ALA 19 0.409 -7.225 -1.347 158 1HB ALA 19 1HB ALA 19 2.739 -7.426 -0.376 159 2HB ALA 19 2HB ALA 19 3.367 -7.084 -2.016 160 3HB ALA 19 3HB ALA 19 2.417 -5.840 -1.162 161 H ALA 20 H ALA 20 2.636 -7.893 -4.032 162 HA ALA 20 HA ALA 20 2.236 -5.388 -5.434 163 1HB ALA 20 1HB ALA 20 3.115 -8.134 -6.429 164 2HB ALA 20 2HB ALA 20 3.262 -6.602 -7.327 165 3HB ALA 20 3HB ALA 20 4.198 -6.851 -5.833 166 H LEU 21 H LEU 21 0.865 -8.649 -5.507 167 HA LEU 21 HA LEU 21 -1.072 -8.298 -7.558 168 1HB LEU 21 1HB LEU 21 -0.174 -10.330 -6.174 169 2HB LEU 21 2HB LEU 21 -1.536 -9.990 -5.100 170 HG LEU 21 HG LEU 21 -1.894 -10.192 -8.115 171 1HD1 LEU 21 1HD1 LEU 21 -0.887 -12.313 -7.349 172 2HD1 LEU 21 2HD1 LEU 21 -2.144 -12.460 -6.096 173 3HD1 LEU 21 3HD1 LEU 21 -2.590 -12.531 -7.814 174 1HD2 LEU 21 1HD2 LEU 21 -3.652 -9.115 -6.746 175 2HD2 LEU 21 2HD2 LEU 21 -4.240 -10.665 -7.402 176 3HD2 LEU 21 3HD2 LEU 21 -3.727 -10.546 -5.700 177 H PHE 22 H PHE 22 -1.189 -7.797 -4.044 178 HA PHE 22 HA PHE 22 -3.866 -6.916 -3.573 179 1HB PHE 22 1HB PHE 22 -1.203 -6.000 -2.452 180 2HB PHE 22 2HB PHE 22 -2.769 -5.580 -1.753 181 HD1 PHE 22 HD1 PHE 22 -1.107 -6.677 0.070 182 HD2 PHE 22 HD2 PHE 22 -3.294 -8.758 -2.974 183 HE1 PHE 22 HE1 PHE 22 -0.820 -8.836 1.337 184 HE2 PHE 22 HE2 PHE 22 -2.866 -10.918 -1.817 185 HZ PHE 22 HZ PHE 22 -1.599 -10.960 0.308 186 H VAL 23 H VAL 23 -0.991 -4.782 -3.986 187 HA VAL 23 HA VAL 23 -2.517 -2.407 -4.265 188 HB VAL 23 HB VAL 23 0.252 -3.194 -5.239 189 1HG1 VAL 23 1HG2 VAL 23 -1.055 -0.448 -5.062 190 2HG1 VAL 23 2HG2 VAL 23 0.660 -0.755 -5.423 191 3HG1 VAL 23 3HG2 VAL 23 -0.598 -1.292 -6.559 192 1HG2 VAL 23 1HG1 VAL 23 -0.138 -3.227 -2.769 193 2HG2 VAL 23 2HG1 VAL 23 0.947 -1.903 -3.233 194 3HG2 VAL 23 3HG1 VAL 23 -0.749 -1.561 -2.848 195 H GLN 24 H GLN 24 -1.292 -4.721 -6.710 196 HA GLN 24 HA GLN 24 -2.094 -3.526 -9.065 197 1HB GLN 24 1HB GLN 24 -0.773 -5.568 -8.932 198 2HB GLN 24 2HB GLN 24 -2.104 -6.384 -8.090 199 1HG GLN 24 1HG GLN 24 -3.461 -5.721 -10.269 200 2HG GLN 24 2HG GLN 24 -1.848 -5.781 -11.012 201 1HE2 GLN 24 2HE2 GLN 24 -3.301 -7.697 -8.279 202 2HE2 GLN 24 1HE2 GLN 24 -3.178 -9.233 -9.123 203 H GLU 25 H GLU 25 -4.126 -5.904 -7.196 204 HA GLU 25 HA GLU 25 -6.368 -5.301 -9.003 205 1HB GLU 25 1HB GLU 25 -7.579 -6.985 -7.565 206 2HB GLU 25 2HB GLU 25 -6.109 -7.623 -8.335 207 1HG GLU 25 1HG GLU 25 -4.850 -7.369 -6.267 208 2HG GLU 25 2HG GLU 25 -6.220 -6.532 -5.510 209 H ALA 26 H ALA 26 -5.423 -4.385 -5.726 210 HA ALA 26 HA ALA 26 -7.848 -3.123 -4.936 211 1HB ALA 26 1HB ALA 26 -4.950 -2.277 -4.539 212 2HB ALA 26 2HB ALA 26 -6.336 -1.684 -3.590 213 3HB ALA 26 3HB ALA 26 -5.844 -3.397 -3.481 214 H ASN 27 H ASN 27 -5.122 -2.145 -6.982 215 HA ASN 27 HA ASN 27 -5.982 0.517 -7.677 216 1HB ASN 27 1HB ASN 27 -3.956 -1.521 -8.435 217 2HB ASN 27 2HB ASN 27 -4.489 -0.492 -9.770 218 1HD2 ASN 27 2HD2 ASN 27 -2.369 -0.749 -7.237 219 2HD2 ASN 27 1HD2 ASN 27 -1.835 0.924 -7.058 220 H ARG 28 H ARG 28 -6.241 -2.734 -9.012 221 HA ARG 28 HA ARG 28 -7.393 -2.314 -11.547 222 1HB ARG 28 1HB ARG 28 -7.739 -4.358 -9.332 223 2HB ARG 28 2HB ARG 28 -8.578 -4.530 -10.845 224 1HG ARG 28 1HG ARG 28 -6.343 -4.419 -12.051 225 2HG ARG 28 2HG ARG 28 -5.567 -4.456 -10.452 226 1HD ARG 28 1HD ARG 28 -6.771 -6.595 -9.954 227 2HD ARG 28 2HD ARG 28 -7.503 -6.554 -11.563 228 HE ARG 28 HE ARG 28 -4.885 -7.489 -10.884 229 1HH1 ARG 28 1HH2 ARG 28 -6.759 -5.898 -13.394 230 2HH1 ARG 28 2HH2 ARG 28 -5.750 -6.431 -14.714 231 1HH2 ARG 28 2HH1 ARG 28 -3.450 -8.111 -12.582 232 2HH2 ARG 28 1HH1 ARG 28 -3.845 -7.737 -14.237 233 H PHE 29 H PHE 29 -8.866 -2.623 -8.336 234 HA PHE 29 HA PHE 29 -11.544 -1.906 -9.088 235 1HB PHE 29 1HB PHE 29 -9.965 -1.747 -6.511 236 2HB PHE 29 2HB PHE 29 -11.712 -1.464 -6.626 237 HD1 PHE 29 HD1 PHE 29 -12.846 -3.395 -8.276 238 HD2 PHE 29 HD2 PHE 29 -9.437 -3.933 -5.712 239 HE1 PHE 29 HE1 PHE 29 -13.446 -5.794 -7.980 240 HE2 PHE 29 HE2 PHE 29 -10.090 -6.304 -5.334 241 HZ PHE 29 HZ PHE 29 -12.132 -7.216 -6.438 242 H THR 30 H THR 30 -12.218 -0.040 -9.676 243 HA THR 30 HA THR 30 -10.469 2.328 -9.477 244 HB THR 30 HB THR 30 -11.516 1.786 -11.538 245 HG1 THR 30 HG1 THR 30 -12.763 4.164 -10.665 246 1HG2 THR 30 1HG2 THR 30 -13.942 2.075 -11.918 247 2HG2 THR 30 2HG2 THR 30 -13.614 0.778 -10.742 248 3HG2 THR 30 3HG2 THR 30 -14.154 2.381 -10.177 249 H SER 31 H SER 31 -10.712 1.837 -7.153 250 HA SER 31 HA SER 31 -12.686 3.550 -5.783 251 1HB SER 31 1HB SER 31 -11.389 0.926 -4.911 252 2HB SER 31 2HB SER 31 -12.692 1.793 -4.067 253 HG SER 31 HG SER 31 -13.324 -0.078 -5.398 254 H ASP 32 H ASP 32 -11.860 4.752 -4.101 255 HA ASP 32 HA ASP 32 -8.980 5.183 -4.008 256 1HB ASP 32 1HB ASP 32 -11.289 6.079 -2.276 257 2HB ASP 32 2HB ASP 32 -9.612 6.635 -2.045 258 H VAL 33 H VAL 33 -8.310 3.053 -3.663 259 HA VAL 33 HA VAL 33 -9.155 1.484 -1.426 260 HB VAL 33 HB VAL 33 -6.903 1.280 -3.448 261 1HG1 VAL 33 1HG1 VAL 33 -7.948 -0.788 -1.468 262 2HG1 VAL 33 2HG1 VAL 33 -6.753 -1.088 -2.764 263 3HG1 VAL 33 3HG1 VAL 33 -6.356 0.014 -1.425 264 1HG2 VAL 33 1HG2 VAL 33 -9.246 1.325 -4.249 265 2HG2 VAL 33 2HG2 VAL 33 -8.525 -0.285 -4.495 266 3HG2 VAL 33 3HG2 VAL 33 -9.657 0.003 -3.138 267 H PHE 34 H PHE 34 -8.114 0.912 0.424 268 HA PHE 34 HA PHE 34 -5.698 2.435 1.143 269 1HB PHE 34 1HB PHE 34 -8.283 2.608 2.732 270 2HB PHE 34 2HB PHE 34 -6.705 3.227 3.236 271 HD1 PHE 34 HD1 PHE 34 -9.762 4.164 1.739 272 HD2 PHE 34 HD2 PHE 34 -5.522 4.772 1.413 273 HE1 PHE 34 HE1 PHE 34 -10.162 6.295 0.515 274 HE2 PHE 34 HE2 PHE 34 -5.920 6.920 0.198 275 HZ PHE 34 HZ PHE 34 -8.246 7.678 -0.237 276 H LEU 35 H LEU 35 -4.798 1.769 3.221 277 HA LEU 35 HA LEU 35 -5.843 -0.815 4.210 278 1HB LEU 35 1HB LEU 35 -3.930 -1.328 2.650 279 2HB LEU 35 2HB LEU 35 -2.875 -0.348 3.705 280 HG LEU 35 HG LEU 35 -3.508 -1.838 5.616 281 1HD1 LEU 35 1HD2 LEU 35 -4.924 -3.409 3.418 282 2HD1 LEU 35 2HD2 LEU 35 -4.716 -3.944 5.102 283 3HD1 LEU 35 3HD2 LEU 35 -5.725 -2.523 4.736 284 1HD2 LEU 35 1HD1 LEU 35 -1.481 -2.309 4.277 285 2HD2 LEU 35 2HD1 LEU 35 -2.240 -3.816 4.844 286 3HD2 LEU 35 3HD1 LEU 35 -2.450 -3.293 3.156 287 H GLU 36 H GLU 36 -6.272 -0.468 6.265 288 HA GLU 36 HA GLU 36 -4.811 1.699 7.699 289 1HB GLU 36 1HB GLU 36 -7.359 0.318 8.564 290 2HB GLU 36 2HB GLU 36 -6.784 1.939 9.016 291 1HG GLU 36 1HG GLU 36 -7.224 2.763 6.768 292 2HG GLU 36 2HG GLU 36 -7.551 1.130 6.180 293 H LYS 37 H LYS 37 -3.027 0.698 8.722 294 HA LYS 37 HA LYS 37 -2.994 -1.972 9.767 295 1HB LYS 37 1HB LYS 37 -1.383 0.587 9.979 296 2HB LYS 37 2HB LYS 37 -0.986 -0.833 10.936 297 1HG LYS 37 1HG LYS 37 -0.724 -2.103 8.845 298 2HG LYS 37 2HG LYS 37 -1.035 -0.628 7.893 299 1HD LYS 37 1HD LYS 37 1.457 -1.062 8.304 300 2HD LYS 37 2HD LYS 37 0.868 0.487 8.962 301 1HE LYS 37 1HE LYS 37 0.461 -0.663 11.167 302 2HE LYS 37 2HE LYS 37 1.266 -2.107 10.529 303 1HZ LYS 37 1HZ LYS 37 2.465 0.577 10.780 304 2HZ LYS 37 2HZ LYS 37 2.746 -0.703 11.785 305 3HZ LYS 37 3HZ LYS 37 3.227 -0.771 10.210 306 H ASP 38 H ASP 38 -4.974 -1.996 11.122 307 HA ASP 38 HA ASP 38 -6.207 -1.636 13.014 308 1HB ASP 38 1HB ASP 38 -3.443 -1.083 14.124 309 2HB ASP 38 2HB ASP 38 -4.897 -1.324 15.115 310 H GLY 39 H GLY 39 -5.755 0.635 11.176 311 1HA GLY 39 1HA GLY 39 -6.965 2.803 11.796 312 2HA GLY 39 2HA GLY 39 -5.818 2.844 13.159 313 H LYS 40 H LYS 40 -3.537 1.793 11.488 314 HA LYS 40 HA LYS 40 -2.638 4.377 10.532 315 1HB LYS 40 1HB LYS 40 -1.287 1.692 10.154 316 2HB LYS 40 2HB LYS 40 -0.535 3.299 10.251 317 1HG LYS 40 1HG LYS 40 -1.453 3.413 12.655 318 2HG LYS 40 2HG LYS 40 -1.854 1.685 12.475 319 1HD LYS 40 1HD LYS 40 0.345 1.954 13.552 320 2HD LYS 40 2HD LYS 40 0.525 1.196 11.954 321 1HE LYS 40 1HE LYS 40 1.116 3.387 10.971 322 2HE LYS 40 2HE LYS 40 0.872 4.172 12.544 323 1HZ LYS 40 1HZ LYS 40 2.653 2.843 13.418 324 2HZ LYS 40 2HZ LYS 40 2.895 2.125 11.954 325 3HZ LYS 40 3HZ LYS 40 3.170 3.739 12.136 326 H LYS 41 H LYS 41 -4.426 4.555 8.964 327 HA LYS 41 HA LYS 41 -4.346 2.788 6.633 328 1HB LYS 41 1HB LYS 41 -6.448 3.286 7.478 329 2HB LYS 41 2HB LYS 41 -6.076 5.001 7.659 330 1HG LYS 41 1HG LYS 41 -6.107 3.838 4.886 331 2HG LYS 41 2HG LYS 41 -7.645 4.220 5.707 332 1HD LYS 41 1HD LYS 41 -6.938 6.501 6.151 333 2HD LYS 41 2HD LYS 41 -5.312 6.185 5.518 334 1HE LYS 41 1HE LYS 41 -6.243 5.777 3.271 335 2HE LYS 41 2HE LYS 41 -7.884 6.003 3.885 336 1HZ LYS 41 1HZ LYS 41 -5.768 8.039 3.890 337 2HZ LYS 41 2HZ LYS 41 -7.037 7.963 2.840 338 3HZ LYS 41 3HZ LYS 41 -7.307 8.250 4.441 339 H VAL 42 H VAL 42 -3.738 3.132 4.720 340 HA VAL 42 HA VAL 42 -3.032 5.824 3.674 341 HB VAL 42 HB VAL 42 -1.043 4.606 2.519 342 1HG1 VAL 42 1HG1 VAL 42 -0.969 5.211 5.493 343 2HG1 VAL 42 2HG1 VAL 42 0.453 5.099 4.428 344 3HG1 VAL 42 3HG1 VAL 42 -0.755 6.381 4.172 345 1HG2 VAL 42 1HG2 VAL 42 -1.705 2.327 3.174 346 2HG2 VAL 42 2HG2 VAL 42 -0.091 2.723 3.823 347 3HG2 VAL 42 3HG2 VAL 42 -1.517 2.759 4.890 348 H ASN 43 H ASN 43 -2.507 5.662 1.253 349 HA ASN 43 HA ASN 43 -4.815 4.411 -0.012 350 1HB ASN 43 1HB ASN 43 -3.973 6.614 -0.761 351 2HB ASN 43 2HB ASN 43 -2.406 5.879 -1.155 352 1HD2 ASN 43 2HD2 ASN 43 -5.808 4.654 -1.822 353 2HD2 ASN 43 1HD2 ASN 43 -5.593 4.793 -3.558 354 H ALA 44 H ALA 44 -4.811 2.433 0.014 355 HA ALA 44 HA ALA 44 -2.800 0.547 0.242 356 1HB ALA 44 1HB ALA 44 -5.473 0.361 -1.189 357 2HB ALA 44 2HB ALA 44 -4.546 -1.044 -0.624 358 3HB ALA 44 3HB ALA 44 -5.228 0.118 0.550 359 H LYS 45 H LYS 45 -4.204 1.923 -2.700 360 HA LYS 45 HA LYS 45 -2.814 0.072 -4.466 361 1HB LYS 45 1HB LYS 45 -3.706 1.513 -6.251 362 2HB LYS 45 2HB LYS 45 -4.970 0.949 -5.135 363 1HG LYS 45 1HG LYS 45 -5.076 3.108 -4.048 364 2HG LYS 45 2HG LYS 45 -3.551 3.608 -4.796 365 1HD LYS 45 1HD LYS 45 -5.074 4.725 -6.125 366 2HD LYS 45 2HD LYS 45 -4.746 3.269 -7.079 367 1HE LYS 45 1HE LYS 45 -7.136 3.616 -5.193 368 2HE LYS 45 2HE LYS 45 -7.182 3.944 -6.929 369 1HZ LYS 45 1HZ LYS 45 -6.537 1.330 -5.768 370 2HZ LYS 45 2HZ LYS 45 -7.998 1.781 -6.381 371 3HZ LYS 45 3HZ LYS 45 -6.686 1.704 -7.370 372 H SER 46 H SER 46 -1.765 2.845 -2.753 373 HA SER 46 HA SER 46 0.284 3.361 -4.858 374 1HB SER 46 1HB SER 46 -0.726 5.073 -2.569 375 2HB SER 46 2HB SER 46 0.827 5.377 -3.379 376 HG SER 46 HG SER 46 -1.762 5.478 -4.474 377 H ILE 47 H ILE 47 2.438 3.719 -4.176 378 HA ILE 47 HA ILE 47 3.701 1.750 -2.757 379 HB ILE 47 HB ILE 47 4.909 3.213 -4.150 380 1HG1 ILE 47 1HG1 ILE 47 5.868 2.309 -1.836 381 2HG1 ILE 47 2HG1 ILE 47 6.871 3.328 -2.867 382 1HG2 ILE 47 1HG2 ILE 47 3.615 5.271 -3.884 383 2HG2 ILE 47 2HG2 ILE 47 4.306 5.496 -2.258 384 3HG2 ILE 47 3HG2 ILE 47 5.357 5.573 -3.690 385 1HD1 ILE 47 1HD1 ILE 47 6.121 5.344 -1.553 386 2HD1 ILE 47 2HD1 ILE 47 5.173 4.274 -0.503 387 3HD1 ILE 47 3HD1 ILE 47 6.942 4.147 -0.523 388 H MET 48 H MET 48 2.749 4.932 -1.382 389 HA MET 48 HA MET 48 3.925 4.188 1.096 390 1HB MET 48 1HB MET 48 3.143 6.162 1.974 391 2HB MET 48 2HB MET 48 3.048 6.561 0.246 392 1HG MET 48 1HG MET 48 0.810 5.288 1.818 393 2HG MET 48 2HG MET 48 0.963 7.060 1.691 394 1HE MET 48 1HE MET 48 2.231 6.871 -1.314 395 2HE MET 48 2HE MET 48 0.818 7.333 -2.304 396 3HE MET 48 3HE MET 48 1.184 8.216 -0.800 397 H GLY 49 H GLY 49 0.848 3.250 -0.277 398 1HA GLY 49 1HA GLY 49 -0.159 2.290 2.305 399 2HA GLY 49 2HA GLY 49 -0.897 1.995 0.697 400 H LEU 50 H LEU 50 0.703 0.695 -0.820 401 HA LEU 50 HA LEU 50 1.125 -1.887 0.039 402 1HB LEU 50 1HB LEU 50 1.135 -1.194 -2.275 403 2HB LEU 50 2HB LEU 50 2.509 -0.112 -1.994 404 HG LEU 50 HG LEU 50 4.025 -1.957 -1.672 405 1HD1 LEU 50 1HD2 LEU 50 1.613 -3.754 -2.150 406 2HD1 LEU 50 2HD2 LEU 50 3.301 -4.296 -1.989 407 3HD1 LEU 50 3HD2 LEU 50 2.470 -3.546 -0.605 408 1HD2 LEU 50 1HD1 LEU 50 3.545 -1.165 -3.967 409 2HD2 LEU 50 2HD1 LEU 50 3.898 -2.913 -3.956 410 3HD2 LEU 50 3HD1 LEU 50 2.217 -2.344 -4.094 411 H MET 51 H MET 51 3.787 0.440 -0.467 412 HA MET 51 HA MET 51 5.642 -1.396 0.722 413 1HB MET 51 1HB MET 51 6.032 0.117 -1.351 414 2HB MET 51 2HB MET 51 6.034 1.491 -0.248 415 1HG MET 51 1HG MET 51 7.919 -0.846 0.151 416 2HG MET 51 2HG MET 51 8.279 0.455 -0.989 417 1HE MET 51 1HE MET 51 8.258 3.023 -0.303 418 2HE MET 51 2HE MET 51 6.823 2.874 0.745 419 3HE MET 51 3HE MET 51 8.326 3.592 1.382 420 H SER 52 H SER 52 4.256 1.922 1.557 421 HA SER 52 HA SER 52 6.085 2.005 3.778 422 1HB SER 52 1HB SER 52 3.595 3.677 3.349 423 2HB SER 52 2HB SER 52 4.983 4.067 4.392 424 HG SER 52 HG SER 52 6.284 3.990 2.454 425 H LEU 53 H LEU 53 2.463 1.974 4.016 426 HA LEU 53 HA LEU 53 2.778 1.098 6.779 427 1HB LEU 53 1HB LEU 53 0.459 1.738 4.946 428 2HB LEU 53 2HB LEU 53 0.226 1.011 6.546 429 HG LEU 53 HG LEU 53 1.540 2.886 7.570 430 1HD1 LEU 53 1HD2 LEU 53 1.464 4.025 4.737 431 2HD1 LEU 53 2HD2 LEU 53 1.985 4.912 6.194 432 3HD1 LEU 53 3HD2 LEU 53 2.923 3.513 5.617 433 1HD2 LEU 53 1HD1 LEU 53 -0.913 2.972 7.352 434 2HD2 LEU 53 2HD1 LEU 53 -0.195 4.605 7.191 435 3HD2 LEU 53 3HD1 LEU 53 -0.734 3.713 5.743 436 H ALA 54 H ALA 54 1.245 -0.283 3.922 437 HA ALA 54 HA ALA 54 0.358 -2.740 4.926 438 1HB ALA 54 1HB ALA 54 -0.352 -1.683 2.785 439 2HB ALA 54 2HB ALA 54 1.261 -1.995 2.118 440 3HB ALA 54 3HB ALA 54 0.204 -3.354 2.544 441 H VAL 55 H VAL 55 3.637 -1.737 4.349 442 HA VAL 55 HA VAL 55 4.673 -4.358 3.802 443 HB VAL 55 HB VAL 55 5.794 -2.138 3.347 444 1HG1 VAL 55 1HG1 VAL 55 6.494 -2.411 6.308 445 2HG1 VAL 55 2HG1 VAL 55 7.212 -1.246 5.168 446 3HG1 VAL 55 3HG1 VAL 55 5.490 -1.126 5.588 447 1HG2 VAL 55 1HG2 VAL 55 6.905 -4.332 3.142 448 2HG2 VAL 55 2HG2 VAL 55 8.037 -3.095 3.743 449 3HG2 VAL 55 3HG2 VAL 55 7.331 -4.284 4.868 450 H SER 56 H SER 56 3.350 -2.954 6.662 451 HA SER 56 HA SER 56 5.038 -4.363 8.515 452 1HB SER 56 1HB SER 56 2.306 -3.160 9.036 453 2HB SER 56 2HB SER 56 3.612 -3.447 10.198 454 HG SER 56 HG SER 56 3.584 -1.599 8.021 455 H THR 57 H THR 57 4.667 -6.516 7.229 456 HA THR 57 HA THR 57 2.518 -8.142 7.346 457 HB THR 57 HB THR 57 5.169 -9.083 8.447 458 HG1 THR 57 HG1 THR 57 4.873 -9.072 5.693 459 1HG2 THR 57 1HG2 THR 57 4.592 -11.071 7.034 460 2HG2 THR 57 2HG2 THR 57 3.350 -10.718 8.262 461 3HG2 THR 57 3HG2 THR 57 3.073 -10.259 6.570 462 H GLY 58 H GLY 58 1.095 -8.745 8.822 463 1HA GLY 58 1HA GLY 58 0.515 -9.819 10.879 464 2HA GLY 58 2HA GLY 58 1.933 -9.092 11.645 465 H THR 59 H THR 59 0.443 -6.572 9.866 466 HA THR 59 HA THR 59 -0.680 -5.573 12.386 467 HB THR 59 HB THR 59 -0.822 -4.345 9.600 468 HG1 THR 59 HG1 THR 59 1.354 -4.733 10.326 469 1HG2 THR 59 1HG2 THR 59 -1.049 -2.244 10.889 470 2HG2 THR 59 2HG2 THR 59 -2.346 -3.389 11.320 471 3HG2 THR 59 3HG2 THR 59 -0.960 -3.162 12.408 472 H GLU 60 H GLU 60 -3.038 -5.123 12.680 473 HA GLU 60 HA GLU 60 -4.582 -6.947 10.928 474 1HB GLU 60 1HB GLU 60 -5.875 -5.477 13.188 475 2HB GLU 60 2HB GLU 60 -6.219 -7.089 12.446 476 1HG GLU 60 1HG GLU 60 -3.679 -6.526 14.025 477 2HG GLU 60 2HG GLU 60 -5.170 -7.061 14.818 478 H VAL 61 H VAL 61 -4.714 -5.952 9.109 479 HA VAL 61 HA VAL 61 -5.091 -3.036 9.001 480 HB VAL 61 HB VAL 61 -4.620 -3.981 6.416 481 1HG1 VAL 61 1HG2 VAL 61 -4.010 -2.031 7.654 482 2HG1 VAL 61 2HG2 VAL 61 -2.938 -3.019 8.696 483 3HG1 VAL 61 3HG2 VAL 61 -2.552 -2.825 6.939 484 1HG2 VAL 61 1HG1 VAL 61 -2.835 -5.345 8.524 485 2HG2 VAL 61 2HG1 VAL 61 -3.857 -6.227 7.380 486 3HG2 VAL 61 3HG1 VAL 61 -2.457 -5.282 6.788 487 H THR 62 H THR 62 -6.674 -1.981 8.074 488 HA THR 62 HA THR 62 -8.705 -3.786 7.040 489 HB THR 62 HB THR 62 -9.180 -0.851 7.773 490 HG1 THR 62 HG1 THR 62 -8.505 -2.197 9.550 491 1HG2 THR 62 1HG2 THR 62 -11.552 -1.571 7.923 492 2HG2 THR 62 2HG2 THR 62 -10.922 -1.839 6.290 493 3HG2 THR 62 3HG2 THR 62 -11.089 -3.206 7.415 494 H LEU 63 H LEU 63 -8.825 -4.079 4.969 495 HA LEU 63 HA LEU 63 -7.519 -2.221 3.123 496 1HB LEU 63 1HB LEU 63 -7.341 -4.773 3.137 497 2HB LEU 63 2HB LEU 63 -9.023 -4.814 2.568 498 HG LEU 63 HG LEU 63 -7.323 -5.035 0.789 499 1HD1 LEU 63 1HD1 LEU 63 -9.551 -4.124 0.266 500 2HD1 LEU 63 2HD1 LEU 63 -8.954 -2.473 0.576 501 3HD1 LEU 63 3HD1 LEU 63 -8.299 -3.416 -0.783 502 1HD2 LEU 63 1HD2 LEU 63 -5.594 -3.570 1.770 503 2HD2 LEU 63 2HD2 LEU 63 -5.993 -3.063 0.111 504 3HD2 LEU 63 3HD2 LEU 63 -6.635 -2.151 1.498 505 H ILE 64 H ILE 64 -8.586 -0.547 2.585 506 HA ILE 64 HA ILE 64 -11.536 -0.448 2.382 507 HB ILE 64 HB ILE 64 -9.392 1.687 1.985 508 1HG1 ILE 64 1HG1 ILE 64 -11.039 1.108 4.469 509 2HG1 ILE 64 2HG1 ILE 64 -9.265 0.960 4.305 510 1HG2 ILE 64 1HG2 ILE 64 -12.392 1.880 2.435 511 2HG2 ILE 64 2HG2 ILE 64 -11.275 3.263 2.318 512 3HG2 ILE 64 3HG2 ILE 64 -11.532 2.201 0.909 513 1HD1 ILE 64 1HD1 ILE 64 -9.173 3.384 3.688 514 2HD1 ILE 64 2HD1 ILE 64 -10.937 3.475 3.907 515 3HD1 ILE 64 3HD1 ILE 64 -9.891 3.147 5.311 516 H ALA 65 H ALA 65 -12.525 0.171 0.488 517 HA ALA 65 HA ALA 65 -10.854 0.975 -1.776 518 1HB ALA 65 1HB ALA 65 -11.103 -1.498 -2.191 519 2HB ALA 65 2HB ALA 65 -12.875 -1.295 -2.100 520 3HB ALA 65 3HB ALA 65 -11.961 -0.519 -3.406 521 H GLN 66 H GLN 66 -11.744 3.004 -1.300 522 HA GLN 66 HA GLN 66 -14.707 3.011 -1.326 523 1HB GLN 66 1HB GLN 66 -14.557 5.261 -0.482 524 2HB GLN 66 2HB GLN 66 -13.409 4.242 0.427 525 1HG GLN 66 1HG GLN 66 -11.542 5.265 -0.509 526 2HG GLN 66 2HG GLN 66 -12.432 5.673 -1.989 527 1HE2 GLN 66 2HE2 GLN 66 -12.026 6.669 1.441 528 2HE2 GLN 66 1HE2 GLN 66 -12.603 8.298 1.144 529 H GLY 67 H GLY 67 -14.664 2.180 -3.452 530 1HA GLY 67 1HA GLY 67 -14.501 4.413 -5.451 531 2HA GLY 67 2HA GLY 67 -13.682 2.890 -5.728 532 H GLU 68 H GLU 68 -14.849 3.055 -7.639 533 HA GLU 68 HA GLU 68 -17.630 2.569 -7.900 534 1HB GLU 68 1HB GLU 68 -15.216 1.978 -9.632 535 2HB GLU 68 2HB GLU 68 -16.898 1.892 -10.217 536 1HG GLU 68 1HG GLU 68 -17.267 4.230 -9.770 537 2HG GLU 68 2HG GLU 68 -15.800 4.328 -8.773 538 H ASP 69 H ASP 69 -14.905 0.287 -7.098 539 HA ASP 69 HA ASP 69 -17.023 -1.836 -7.310 540 1HB ASP 69 1HB ASP 69 -14.164 -2.555 -7.067 541 2HB ASP 69 2HB ASP 69 -15.496 -3.430 -7.800 542 H GLU 70 H GLU 70 -16.477 0.289 -5.175 543 HA GLU 70 HA GLU 70 -14.763 -0.088 -3.337 544 1HB GLU 70 1HB GLU 70 -16.384 0.716 -1.688 545 2HB GLU 70 2HB GLU 70 -16.391 1.595 -3.230 546 1HG GLU 70 1HG GLU 70 -18.528 1.195 -3.625 547 2HG GLU 70 2HG GLU 70 -18.402 -0.520 -3.216 548 H GLN 71 H GLN 71 -17.796 -1.619 -2.356 549 HA GLN 71 HA GLN 71 -17.044 -3.181 -0.321 550 1HB GLN 71 1HB GLN 71 -19.267 -2.829 -1.715 551 2HB GLN 71 2HB GLN 71 -18.741 -4.267 -2.602 552 1HG GLN 71 1HG GLN 71 -19.545 -4.033 0.308 553 2HG GLN 71 2HG GLN 71 -20.323 -4.998 -0.971 554 1HE2 GLN 71 2HE2 GLN 71 -17.600 -4.627 1.192 555 2HE2 GLN 71 1HE2 GLN 71 -16.876 -6.221 0.905 556 H GLU 72 H GLU 72 -17.026 -4.170 -3.717 557 HA GLU 72 HA GLU 72 -16.029 -6.777 -3.446 558 1HB GLU 72 1HB GLU 72 -17.194 -5.990 -5.494 559 2HB GLU 72 2HB GLU 72 -16.188 -4.523 -5.505 560 1HG GLU 72 1HG GLU 72 -15.611 -5.759 -7.377 561 2HG GLU 72 2HG GLU 72 -14.255 -5.777 -6.241 562 H ALA 73 H ALA 73 -14.470 -3.643 -4.056 563 HA ALA 73 HA ALA 73 -11.911 -4.569 -4.854 564 1HB ALA 73 1HB ALA 73 -13.015 -1.967 -3.734 565 2HB ALA 73 2HB ALA 73 -11.417 -2.144 -4.520 566 3HB ALA 73 3HB ALA 73 -12.913 -2.430 -5.444 567 H LEU 74 H LEU 74 -13.157 -3.141 -1.828 568 HA LEU 74 HA LEU 74 -10.767 -3.548 -0.314 569 1HB LEU 74 1HB LEU 74 -12.356 -3.280 1.658 570 2HB LEU 74 2HB LEU 74 -12.333 -1.993 0.429 571 HG LEU 74 HG LEU 74 -14.285 -3.712 -0.513 572 1HD1 LEU 74 1HD2 LEU 74 -14.646 -3.163 2.458 573 2HD1 LEU 74 2HD2 LEU 74 -15.883 -3.801 1.341 574 3HD1 LEU 74 3HD2 LEU 74 -14.433 -4.769 1.703 575 1HD2 LEU 74 1HD1 LEU 74 -14.387 -1.070 1.000 576 2HD2 LEU 74 2HD1 LEU 74 -14.123 -1.297 -0.744 577 3HD2 LEU 74 3HD1 LEU 74 -15.684 -1.728 -0.033 578 H GLU 75 H GLU 75 -13.654 -5.621 -0.782 579 HA GLU 75 HA GLU 75 -13.003 -7.734 0.900 580 1HB GLU 75 1HB GLU 75 -14.221 -7.730 -1.906 581 2HB GLU 75 2HB GLU 75 -14.144 -9.169 -0.862 582 1HG GLU 75 1HG GLU 75 -15.552 -6.581 -0.185 583 2HG GLU 75 2HG GLU 75 -16.340 -8.104 -0.649 584 H LYS 76 H LYS 76 -12.118 -7.638 -2.610 585 HA LYS 76 HA LYS 76 -10.822 -10.142 -2.527 586 1HB LYS 76 1HB LYS 76 -9.905 -7.847 -4.287 587 2HB LYS 76 2HB LYS 76 -9.795 -9.592 -4.590 588 1HG LYS 76 1HG LYS 76 -12.458 -9.410 -4.255 589 2HG LYS 76 2HG LYS 76 -12.132 -7.743 -4.764 590 1HD LYS 76 1HD LYS 76 -11.533 -10.389 -6.191 591 2HD LYS 76 2HD LYS 76 -12.572 -9.078 -6.784 592 1HE LYS 76 1HE LYS 76 -10.526 -7.643 -7.050 593 2HE LYS 76 2HE LYS 76 -9.524 -8.967 -6.432 594 1HZ LYS 76 1HZ LYS 76 -11.175 -9.048 -8.861 595 2HZ LYS 76 2HZ LYS 76 -9.535 -8.886 -8.805 596 3HZ LYS 76 3HZ LYS 76 -10.241 -10.284 -8.293 597 H LEU 77 H LEU 77 -9.471 -6.895 -2.041 598 HA LEU 77 HA LEU 77 -6.797 -7.906 -1.780 599 1HB LEU 77 1HB LEU 77 -7.934 -5.247 -0.906 600 2HB LEU 77 2HB LEU 77 -6.254 -5.758 -0.805 601 HG LEU 77 HG LEU 77 -6.617 -4.439 -2.893 602 1HD1 LEU 77 1HD2 LEU 77 -5.153 -6.502 -3.032 603 2HD1 LEU 77 2HD2 LEU 77 -6.618 -7.397 -3.562 604 3HD1 LEU 77 3HD2 LEU 77 -5.986 -6.067 -4.558 605 1HD2 LEU 77 1HD1 LEU 77 -8.613 -6.637 -3.531 606 2HD2 LEU 77 2HD1 LEU 77 -9.060 -4.960 -3.147 607 3HD2 LEU 77 3HD1 LEU 77 -8.134 -5.332 -4.641 608 H ALA 78 H ALA 78 -9.101 -6.798 0.864 609 HA ALA 78 HA ALA 78 -7.192 -7.601 2.873 610 1HB ALA 78 1HB ALA 78 -9.036 -6.067 3.411 611 2HB ALA 78 2HB ALA 78 -10.214 -7.366 3.093 612 3HB ALA 78 3HB ALA 78 -9.069 -7.503 4.445 613 H ALA 79 H ALA 79 -9.415 -9.354 0.848 614 HA ALA 79 HA ALA 79 -9.608 -11.775 2.404 615 1HB ALA 79 1HB ALA 79 -11.035 -11.206 0.413 616 2HB ALA 79 2HB ALA 79 -9.585 -11.363 -0.615 617 3HB ALA 79 3HB ALA 79 -10.222 -12.786 0.245 618 H TYR 80 H TYR 80 -7.481 -10.689 -0.306 619 HA TYR 80 HA TYR 80 -5.926 -13.095 -0.184 620 1HB TYR 80 1HB TYR 80 -6.451 -11.652 -2.124 621 2HB TYR 80 2HB TYR 80 -5.366 -10.423 -1.476 622 HD1 TYR 80 HD1 TYR 80 -3.816 -13.460 -0.665 623 HD2 TYR 80 HD2 TYR 80 -4.692 -10.930 -4.038 624 HE1 TYR 80 HE1 TYR 80 -1.693 -14.162 -1.737 625 HE2 TYR 80 HE2 TYR 80 -2.548 -11.589 -5.086 626 HH TYR 80 HH TYR 80 -0.658 -12.882 -4.913 627 H VAL 81 H VAL 81 -5.227 -9.751 0.883 628 HA VAL 81 HA VAL 81 -2.603 -9.882 1.591 629 HB VAL 81 HB VAL 81 -3.102 -8.115 3.254 630 1HG1 VAL 81 1HG2 VAL 81 -4.873 -7.933 0.797 631 2HG1 VAL 81 2HG2 VAL 81 -4.343 -6.560 1.802 632 3HG1 VAL 81 3HG2 VAL 81 -3.149 -7.508 0.872 633 1HG2 VAL 81 1HG1 VAL 81 -5.056 -9.213 4.281 634 2HG2 VAL 81 2HG1 VAL 81 -5.463 -7.557 3.777 635 3HG2 VAL 81 3HG1 VAL 81 -5.996 -8.951 2.800 636 H GLN 82 H GLN 82 -5.170 -11.315 3.466 637 HA GLN 82 HA GLN 82 -3.379 -11.667 5.782 638 1HB GLN 82 1HB GLN 82 -5.594 -12.054 6.901 639 2HB GLN 82 2HB GLN 82 -5.748 -10.661 5.798 640 1HG GLN 82 1HG GLN 82 -6.667 -12.163 4.074 641 2HG GLN 82 2HG GLN 82 -6.206 -13.541 5.075 642 1HE2 GLN 82 2HE2 GLN 82 -8.642 -11.576 4.171 643 2HE2 GLN 82 1HE2 GLN 82 -9.898 -12.158 5.283 644 H GLU 83 H GLU 83 -4.311 -13.506 3.011 645 HA GLU 83 HA GLU 83 -5.466 -15.689 4.411 646 1HB GLU 83 1HB GLU 83 -5.747 -16.716 2.244 647 2HB GLU 83 2HB GLU 83 -6.188 -14.990 2.231 648 1HG GLU 83 1HG GLU 83 -4.056 -14.425 1.155 649 2HG GLU 83 2HG GLU 83 -3.555 -16.132 1.210 650 H GLU 84 H GLU 84 -2.272 -15.772 2.672 651 HA GLU 84 HA GLU 84 -1.951 -18.359 4.114 652 1HB GLU 84 1HB GLU 84 0.015 -18.684 2.579 653 2HB GLU 84 2HB GLU 84 -1.565 -18.641 1.779 654 1HG GLU 84 1HG GLU 84 -0.246 -15.993 1.971 655 2HG GLU 84 2HG GLU 84 0.589 -17.192 0.948 656 H VAL 85 H VAL 85 1.000 -17.137 3.240 657 HA VAL 85 HA VAL 85 1.702 -15.240 5.344 658 HB VAL 85 HB VAL 85 1.894 -17.205 6.803 659 1HG1 VAL 85 1HG1 VAL 85 3.402 -18.759 4.584 660 2HG1 VAL 85 2HG1 VAL 85 3.201 -19.290 6.273 661 3HG1 VAL 85 3HG1 VAL 85 1.793 -19.155 5.234 662 1HG2 VAL 85 1HG2 VAL 85 3.940 -15.709 6.833 663 2HG2 VAL 85 2HG2 VAL 85 4.333 -17.381 7.245 664 3HG2 VAL 85 3HG2 VAL 85 4.725 -16.752 5.624 Start of MODEL 5 1 1H VAL 2 1H VAL 2 -17.819 6.424 -0.461 2 2H VAL 2 2H VAL 2 -17.117 6.697 -1.965 3 3H VAL 2 3H VAL 2 -18.786 6.805 -1.784 4 HA VAL 2 HA VAL 2 -18.970 4.511 -1.321 5 HB VAL 2 HB VAL 2 -19.058 5.343 -3.639 6 1HG1 VAL 2 1HG1 VAL 2 -16.671 6.087 -3.811 7 2HG1 VAL 2 2HG1 VAL 2 -16.187 4.377 -3.844 8 3HG1 VAL 2 3HG1 VAL 2 -17.187 5.042 -5.161 9 1HG2 VAL 2 1HG2 VAL 2 -17.819 2.603 -3.234 10 2HG2 VAL 2 2HG2 VAL 2 -19.554 3.001 -3.168 11 3HG2 VAL 2 3HG2 VAL 2 -18.667 3.124 -4.710 12 H GLN 3 H GLN 3 -17.301 4.859 0.645 13 HA GLN 3 HA GLN 3 -14.897 3.206 0.057 14 1HB GLN 3 1HB GLN 3 -14.568 5.642 0.810 15 2HB GLN 3 2HB GLN 3 -15.341 5.154 2.341 16 1HG GLN 3 1HG GLN 3 -13.571 3.289 2.468 17 2HG GLN 3 2HG GLN 3 -12.734 4.124 1.153 18 1HE2 GLN 3 2HE2 GLN 3 -13.206 6.833 1.915 19 2HE2 GLN 3 1HE2 GLN 3 -12.400 7.103 3.461 20 H GLN 4 H GLN 4 -14.814 1.276 1.017 21 HA GLN 4 HA GLN 4 -16.007 1.041 3.694 22 1HB GLN 4 1HB GLN 4 -17.333 -0.088 1.504 23 2HB GLN 4 2HB GLN 4 -16.352 -1.432 2.128 24 1HG GLN 4 1HG GLN 4 -18.257 0.302 3.750 25 2HG GLN 4 2HG GLN 4 -18.528 -1.392 3.256 26 1HE2 GLN 4 2HE2 GLN 4 -17.116 -3.044 4.126 27 2HE2 GLN 4 1HE2 GLN 4 -16.101 -2.734 5.558 28 H LYS 5 H LYS 5 -14.793 -0.713 4.966 29 HA LYS 5 HA LYS 5 -12.521 -1.890 3.557 30 1HB LYS 5 1HB LYS 5 -11.059 -1.132 5.450 31 2HB LYS 5 2HB LYS 5 -11.531 0.143 4.317 32 1HG LYS 5 1HG LYS 5 -13.128 -0.300 6.833 33 2HG LYS 5 2HG LYS 5 -11.618 0.651 6.873 34 1HD LYS 5 1HD LYS 5 -12.450 2.226 5.245 35 2HD LYS 5 2HD LYS 5 -13.875 1.214 4.921 36 1HE LYS 5 1HE LYS 5 -13.243 2.572 7.573 37 2HE LYS 5 2HE LYS 5 -14.439 3.119 6.381 38 1HZ LYS 5 1HZ LYS 5 -15.589 1.023 6.680 39 2HZ LYS 5 2HZ LYS 5 -14.501 0.562 7.828 40 3HZ LYS 5 3HZ LYS 5 -15.477 1.860 8.098 41 H VAL 6 H VAL 6 -11.645 -3.625 4.743 42 HA VAL 6 HA VAL 6 -13.157 -4.473 7.149 43 HB VAL 6 HB VAL 6 -13.132 -6.821 6.237 44 1HG1 VAL 6 1HG2 VAL 6 -15.133 -5.364 6.262 45 2HG1 VAL 6 2HG2 VAL 6 -14.680 -4.715 4.672 46 3HG1 VAL 6 3HG2 VAL 6 -15.129 -6.430 4.835 47 1HG2 VAL 6 1HG1 VAL 6 -12.510 -5.378 3.624 48 2HG2 VAL 6 2HG1 VAL 6 -11.427 -6.509 4.468 49 3HG2 VAL 6 3HG1 VAL 6 -12.967 -7.093 3.784 50 H GLU 7 H GLU 7 -11.669 -4.773 8.774 51 HA GLU 7 HA GLU 7 -8.874 -4.795 7.902 52 1HB GLU 7 1HB GLU 7 -8.316 -4.654 10.292 53 2HB GLU 7 2HB GLU 7 -9.428 -3.355 9.820 54 1HG GLU 7 1HG GLU 7 -11.294 -4.517 10.868 55 2HG GLU 7 2HG GLU 7 -10.311 -5.983 11.095 56 H VAL 8 H VAL 8 -7.338 -6.252 8.363 57 HA VAL 8 HA VAL 8 -8.137 -8.992 9.152 58 HB VAL 8 HB VAL 8 -6.963 -9.748 7.016 59 1HG1 VAL 8 1HG2 VAL 8 -9.423 -8.009 6.531 60 2HG1 VAL 8 2HG2 VAL 8 -8.802 -9.298 5.466 61 3HG1 VAL 8 3HG2 VAL 8 -9.441 -9.713 7.072 62 1HG2 VAL 8 1HG1 VAL 8 -5.806 -7.586 6.630 63 2HG2 VAL 8 2HG1 VAL 8 -6.741 -8.127 5.209 64 3HG2 VAL 8 3HG1 VAL 8 -7.384 -6.829 6.257 65 H ARG 9 H ARG 9 -6.009 -10.350 9.256 66 HA ARG 9 HA ARG 9 -3.904 -8.640 10.416 67 1HB ARG 9 1HB ARG 9 -4.095 -10.900 11.298 68 2HB ARG 9 2HB ARG 9 -3.867 -11.571 9.648 69 1HG ARG 9 1HG ARG 9 -1.556 -10.484 9.646 70 2HG ARG 9 2HG ARG 9 -1.845 -10.106 11.360 71 1HD ARG 9 1HD ARG 9 -0.587 -12.266 10.950 72 2HD ARG 9 2HD ARG 9 -2.091 -12.481 11.873 73 HE ARG 9 HE ARG 9 -2.971 -12.916 9.359 74 1HH1 ARG 9 2HH1 ARG 9 -0.156 -14.208 11.059 75 2HH1 ARG 9 1HH1 ARG 9 -0.161 -15.717 10.184 76 1HH2 ARG 9 1HH2 ARG 9 -3.000 -14.869 8.235 77 2HH2 ARG 9 2HH2 ARG 9 -1.780 -16.063 8.442 78 H LEU 10 H LEU 10 -2.420 -7.599 9.240 79 HA LEU 10 HA LEU 10 -2.247 -8.060 6.382 80 1HB LEU 10 1HB LEU 10 -2.102 -5.811 7.319 81 2HB LEU 10 2HB LEU 10 -0.883 -6.323 8.490 82 HG LEU 10 HG LEU 10 0.770 -6.620 6.729 83 1HD1 LEU 10 1HD1 LEU 10 -1.463 -5.651 4.889 84 2HD1 LEU 10 2HD1 LEU 10 0.254 -5.853 4.437 85 3HD1 LEU 10 3HD1 LEU 10 -0.713 -7.273 4.908 86 1HD2 LEU 10 1HD2 LEU 10 0.459 -4.549 7.967 87 2HD2 LEU 10 2HD2 LEU 10 0.985 -4.199 6.304 88 3HD2 LEU 10 3HD2 LEU 10 -0.726 -3.968 6.765 89 H LYS 11 H LYS 11 -1.795 -10.391 6.946 90 HA LYS 11 HA LYS 11 0.646 -11.286 8.200 91 1HB LYS 11 1HB LYS 11 -1.171 -12.774 8.251 92 2HB LYS 11 2HB LYS 11 -1.654 -12.357 6.592 93 1HG LYS 11 1HG LYS 11 0.806 -13.423 6.088 94 2HG LYS 11 2HG LYS 11 0.227 -14.425 7.483 95 1HD LYS 11 1HD LYS 11 -0.825 -15.370 5.500 96 2HD LYS 11 2HD LYS 11 -2.057 -14.350 6.302 97 1HE LYS 11 1HE LYS 11 -1.539 -12.500 4.854 98 2HE LYS 11 2HE LYS 11 -0.267 -13.465 4.017 99 1HZ LYS 11 1HZ LYS 11 -3.105 -14.144 4.016 100 2HZ LYS 11 2HZ LYS 11 -2.307 -13.410 2.789 101 3HZ LYS 11 3HZ LYS 11 -1.899 -14.942 3.234 102 H THR 12 H THR 12 -0.424 -10.611 4.918 103 HA THR 12 HA THR 12 1.791 -11.672 3.527 104 HB THR 12 HB THR 12 1.160 -9.925 1.782 105 HG1 THR 12 HG1 THR 12 -0.622 -8.586 2.333 106 1HG2 THR 12 1HG2 THR 12 -1.183 -10.724 1.495 107 2HG2 THR 12 2HG2 THR 12 -0.075 -12.043 1.907 108 3HG2 THR 12 3HG2 THR 12 -1.149 -11.366 3.157 109 H GLY 13 H GLY 13 1.180 -8.302 4.526 110 1HA GLY 13 1HA GLY 13 2.567 -6.715 5.503 111 2HA GLY 13 2HA GLY 13 3.835 -7.940 5.705 112 H LEU 14 H LEU 14 2.266 -7.243 2.720 113 HA LEU 14 HA LEU 14 3.067 -6.571 0.619 114 1HB LEU 14 1HB LEU 14 3.430 -4.354 2.617 115 2HB LEU 14 2HB LEU 14 3.687 -4.078 0.892 116 HG LEU 14 HG LEU 14 1.393 -3.514 1.850 117 1HD1 LEU 14 1HD1 LEU 14 1.490 -5.413 -0.506 118 2HD1 LEU 14 2HD1 LEU 14 0.152 -4.315 -0.100 119 3HD1 LEU 14 3HD1 LEU 14 1.741 -3.653 -0.539 120 1HD2 LEU 14 1HD2 LEU 14 0.996 -5.548 3.190 121 2HD2 LEU 14 2HD2 LEU 14 -0.278 -5.319 1.963 122 3HD2 LEU 14 3HD2 LEU 14 1.002 -6.526 1.702 123 H GLN 15 H GLN 15 4.825 -8.237 0.922 124 HA GLN 15 HA GLN 15 7.555 -7.141 1.286 125 1HB GLN 15 1HB GLN 15 6.542 -9.964 0.790 126 2HB GLN 15 2HB GLN 15 8.239 -9.514 1.090 127 1HG GLN 15 1HG GLN 15 7.605 -8.548 3.273 128 2HG GLN 15 2HG GLN 15 5.912 -8.994 2.983 129 1HE2 GLN 15 2HE2 GLN 15 5.291 -10.894 3.938 130 2HE2 GLN 15 1HE2 GLN 15 6.335 -12.266 4.207 131 H ALA 16 H ALA 16 6.674 -5.809 -0.630 132 HA ALA 16 HA ALA 16 7.025 -5.154 -2.809 133 1HB ALA 16 1HB ALA 16 9.350 -5.845 -2.424 134 2HB ALA 16 2HB ALA 16 8.937 -7.514 -2.889 135 3HB ALA 16 3HB ALA 16 8.850 -6.202 -4.093 136 H ARG 17 H ARG 17 7.707 -7.657 -4.700 137 HA ARG 17 HA ARG 17 5.708 -7.810 -6.336 138 1HB ARG 17 1HB ARG 17 7.796 -9.153 -6.318 139 2HB ARG 17 2HB ARG 17 6.963 -10.357 -5.314 140 1HG ARG 17 1HG ARG 17 6.944 -10.934 -7.721 141 2HG ARG 17 2HG ARG 17 5.294 -10.697 -7.113 142 1HD ARG 17 1HD ARG 17 6.871 -8.487 -8.483 143 2HD ARG 17 2HD ARG 17 5.863 -9.642 -9.380 144 HE ARG 17 HE ARG 17 4.104 -8.773 -7.524 145 1HH1 ARG 17 2HH1 ARG 17 6.289 -6.976 -9.639 146 2HH1 ARG 17 1HH1 ARG 17 5.292 -5.548 -9.677 147 1HH2 ARG 17 1HH2 ARG 17 2.787 -6.986 -7.599 148 2HH2 ARG 17 2HH2 ARG 17 3.217 -5.561 -8.512 149 HA PRO 18 HA PRO 18 2.920 -11.157 -4.223 150 1HB PRO 18 1HB PRO 18 3.032 -11.223 -1.441 151 2HB PRO 18 2HB PRO 18 3.935 -12.321 -2.538 152 1HG PRO 18 1HG PRO 18 4.919 -9.745 -1.245 153 2HG PRO 18 2HG PRO 18 5.753 -11.330 -1.301 154 1HD PRO 18 1HD PRO 18 6.376 -9.386 -3.052 155 2HD PRO 18 2HD PRO 18 6.214 -11.074 -3.634 156 H ALA 19 H ALA 19 3.095 -8.976 -1.315 157 HA ALA 19 HA ALA 19 0.409 -8.259 -1.828 158 1HB ALA 19 1HB ALA 19 1.397 -8.291 0.394 159 2HB ALA 19 2HB ALA 19 2.413 -6.892 -0.044 160 3HB ALA 19 3HB ALA 19 0.638 -6.714 0.007 161 H ALA 20 H ALA 20 3.244 -7.059 -3.376 162 HA ALA 20 HA ALA 20 2.207 -4.487 -4.153 163 1HB ALA 20 1HB ALA 20 4.569 -5.206 -4.527 164 2HB ALA 20 2HB ALA 20 3.994 -6.438 -5.675 165 3HB ALA 20 3HB ALA 20 3.777 -4.712 -6.045 166 H LEU 21 H LEU 21 1.898 -7.853 -5.346 167 HA LEU 21 HA LEU 21 0.145 -7.390 -7.545 168 1HB LEU 21 1HB LEU 21 1.446 -9.497 -6.659 169 2HB LEU 21 2HB LEU 21 0.003 -9.769 -5.680 170 HG LEU 21 HG LEU 21 0.008 -9.432 -8.717 171 1HD1 LEU 21 1HD1 LEU 21 1.132 -11.514 -7.969 172 2HD1 LEU 21 2HD1 LEU 21 -0.298 -11.925 -6.991 173 3HD1 LEU 21 3HD1 LEU 21 -0.422 -11.861 -8.765 174 1HD2 LEU 21 1HD2 LEU 21 -2.100 -8.755 -7.590 175 2HD2 LEU 21 2HD2 LEU 21 -2.329 -10.239 -8.543 176 3HD2 LEU 21 3HD2 LEU 21 -2.166 -10.332 -6.774 177 H PHE 22 H PHE 22 -0.321 -8.078 -4.096 178 HA PHE 22 HA PHE 22 -3.137 -7.934 -3.778 179 1HB PHE 22 1HB PHE 22 -1.871 -8.450 -1.860 180 2HB PHE 22 2HB PHE 22 -0.756 -7.103 -2.163 181 HD1 PHE 22 HD1 PHE 22 -0.823 -5.143 -1.135 182 HD2 PHE 22 HD2 PHE 22 -4.298 -7.681 -1.032 183 HE1 PHE 22 HE1 PHE 22 -1.917 -3.570 0.458 184 HE2 PHE 22 HE2 PHE 22 -5.362 -6.155 0.607 185 HZ PHE 22 HZ PHE 22 -4.187 -4.090 1.343 186 H VAL 23 H VAL 23 -0.829 -5.236 -3.639 187 HA VAL 23 HA VAL 23 -2.518 -3.019 -3.527 188 HB VAL 23 HB VAL 23 0.210 -3.640 -4.667 189 1HG1 VAL 23 1HG2 VAL 23 -1.075 -0.889 -4.690 190 2HG1 VAL 23 2HG2 VAL 23 0.630 -1.258 -5.038 191 3HG1 VAL 23 3HG2 VAL 23 -0.649 -1.862 -6.117 192 1HG2 VAL 23 1HG1 VAL 23 -0.067 -3.484 -2.222 193 2HG2 VAL 23 2HG1 VAL 23 0.934 -2.145 -2.837 194 3HG2 VAL 23 3HG1 VAL 23 -0.764 -1.850 -2.401 195 H GLN 24 H GLN 24 -1.192 -4.734 -6.368 196 HA GLN 24 HA GLN 24 -2.431 -3.248 -8.399 197 1HB GLN 24 1HB GLN 24 -0.520 -4.844 -8.507 198 2HB GLN 24 2HB GLN 24 -1.654 -6.196 -8.351 199 1HG GLN 24 1HG GLN 24 -2.186 -4.183 -10.506 200 2HG GLN 24 2HG GLN 24 -0.767 -5.228 -10.703 201 1HE2 GLN 24 2HE2 GLN 24 -4.327 -5.336 -10.215 202 2HE2 GLN 24 1HE2 GLN 24 -4.496 -6.932 -10.917 203 H GLU 25 H GLU 25 -3.643 -6.032 -6.524 204 HA GLU 25 HA GLU 25 -6.022 -6.437 -8.096 205 1HB GLU 25 1HB GLU 25 -5.412 -7.044 -5.153 206 2HB GLU 25 2HB GLU 25 -6.684 -7.845 -6.106 207 1HG GLU 25 1HG GLU 25 -3.774 -7.995 -6.933 208 2HG GLU 25 2HG GLU 25 -4.433 -9.071 -5.682 209 H ALA 26 H ALA 26 -5.377 -4.807 -4.980 210 HA ALA 26 HA ALA 26 -7.949 -3.700 -4.514 211 1HB ALA 26 1HB ALA 26 -5.200 -2.419 -4.185 212 2HB ALA 26 2HB ALA 26 -6.685 -1.888 -3.365 213 3HB ALA 26 3HB ALA 26 -5.979 -3.481 -2.984 214 H ASN 27 H ASN 27 -5.199 -2.457 -6.277 215 HA ASN 27 HA ASN 27 -6.033 -0.152 -7.552 216 1HB ASN 27 1HB ASN 27 -4.082 -2.312 -7.861 217 2HB ASN 27 2HB ASN 27 -4.541 -1.617 -9.416 218 1HD2 ASN 27 2HD2 ASN 27 -2.498 -1.332 -6.833 219 2HD2 ASN 27 1HD2 ASN 27 -1.968 0.339 -6.951 220 H ARG 28 H ARG 28 -6.524 -3.548 -8.568 221 HA ARG 28 HA ARG 28 -7.633 -3.167 -11.145 222 1HB ARG 28 1HB ARG 28 -8.464 -5.032 -8.881 223 2HB ARG 28 2HB ARG 28 -9.073 -5.143 -10.549 224 1HG ARG 28 1HG ARG 28 -6.646 -5.475 -11.278 225 2HG ARG 28 2HG ARG 28 -6.217 -5.529 -9.551 226 1HD ARG 28 1HD ARG 28 -7.918 -7.342 -9.232 227 2HD ARG 28 2HD ARG 28 -8.260 -7.325 -10.966 228 HE ARG 28 HE ARG 28 -5.909 -8.435 -9.610 229 1HH1 ARG 28 2HH1 ARG 28 -7.313 -7.467 -12.704 230 2HH1 ARG 28 1HH1 ARG 28 -6.276 -8.505 -13.646 231 1HH2 ARG 28 1HH2 ARG 28 -4.560 -9.715 -10.761 232 2HH2 ARG 28 2HH2 ARG 28 -4.606 -9.794 -12.508 233 H PHE 29 H PHE 29 -9.087 -2.766 -7.941 234 HA PHE 29 HA PHE 29 -11.739 -2.296 -9.034 235 1HB PHE 29 1HB PHE 29 -10.485 -2.061 -6.291 236 2HB PHE 29 2HB PHE 29 -12.223 -1.849 -6.604 237 HD1 PHE 29 HD1 PHE 29 -9.854 -4.156 -5.522 238 HD2 PHE 29 HD2 PHE 29 -12.978 -3.856 -8.451 239 HE1 PHE 29 HE1 PHE 29 -9.830 -6.614 -5.812 240 HE2 PHE 29 HE2 PHE 29 -12.931 -6.307 -8.781 241 HZ PHE 29 HZ PHE 29 -11.333 -7.694 -7.485 242 H THR 30 H THR 30 -12.603 -0.505 -9.485 243 HA THR 30 HA THR 30 -11.071 1.899 -9.858 244 HB THR 30 HB THR 30 -14.078 1.462 -10.000 245 HG1 THR 30 HG1 THR 30 -13.631 0.873 -12.172 246 1HG2 THR 30 1HG2 THR 30 -12.252 3.382 -11.476 247 2HG2 THR 30 2HG2 THR 30 -14.026 3.247 -11.663 248 3HG2 THR 30 3HG2 THR 30 -13.331 3.780 -10.111 249 H SER 31 H SER 31 -10.715 1.614 -7.281 250 HA SER 31 HA SER 31 -12.480 3.475 -5.812 251 1HB SER 31 1HB SER 31 -11.142 0.965 -4.750 252 2HB SER 31 2HB SER 31 -12.459 1.887 -3.990 253 HG SER 31 HG SER 31 -13.006 -0.183 -5.078 254 H ASP 32 H ASP 32 -11.452 4.772 -4.334 255 HA ASP 32 HA ASP 32 -8.538 4.983 -4.352 256 1HB ASP 32 1HB ASP 32 -10.163 6.877 -4.208 257 2HB ASP 32 2HB ASP 32 -10.735 6.200 -2.667 258 H VAL 33 H VAL 33 -7.957 2.963 -3.709 259 HA VAL 33 HA VAL 33 -9.230 1.578 -1.505 260 HB VAL 33 HB VAL 33 -6.909 0.901 -3.331 261 1HG1 VAL 33 1HG1 VAL 33 -6.813 -0.186 -1.074 262 2HG1 VAL 33 2HG1 VAL 33 -8.427 -0.868 -1.370 263 3HG1 VAL 33 3HG1 VAL 33 -7.056 -1.358 -2.402 264 1HG2 VAL 33 1HG2 VAL 33 -9.869 0.155 -3.133 265 2HG2 VAL 33 2HG2 VAL 33 -9.135 1.201 -4.357 266 3HG2 VAL 33 3HG2 VAL 33 -8.747 -0.538 -4.336 267 H PHE 34 H PHE 34 -8.330 0.884 0.426 268 HA PHE 34 HA PHE 34 -6.013 2.486 1.319 269 1HB PHE 34 1HB PHE 34 -8.645 2.261 2.826 270 2HB PHE 34 2HB PHE 34 -7.228 3.146 3.345 271 HD1 PHE 34 HD1 PHE 34 -6.817 4.230 0.310 272 HD2 PHE 34 HD2 PHE 34 -10.043 4.277 3.172 273 HE1 PHE 34 HE1 PHE 34 -7.750 6.269 -0.750 274 HE2 PHE 34 HE2 PHE 34 -10.879 6.381 2.189 275 HZ PHE 34 HZ PHE 34 -9.697 7.422 0.266 276 H LEU 35 H LEU 35 -5.284 1.867 3.499 277 HA LEU 35 HA LEU 35 -6.048 -0.810 4.477 278 1HB LEU 35 1HB LEU 35 -4.262 -1.146 2.772 279 2HB LEU 35 2HB LEU 35 -3.185 -0.079 3.700 280 HG LEU 35 HG LEU 35 -4.480 -2.408 5.106 281 1HD1 LEU 35 1HD2 LEU 35 -3.657 -3.338 2.969 282 2HD1 LEU 35 2HD2 LEU 35 -2.060 -2.612 3.266 283 3HD1 LEU 35 3HD2 LEU 35 -2.673 -3.894 4.342 284 1HD2 LEU 35 1HD1 LEU 35 -3.044 -0.730 6.291 285 2HD2 LEU 35 2HD1 LEU 35 -2.336 -2.364 6.324 286 3HD2 LEU 35 3HD1 LEU 35 -1.701 -1.140 5.195 287 H GLU 36 H GLU 36 -6.297 -0.547 6.632 288 HA GLU 36 HA GLU 36 -5.014 1.860 7.882 289 1HB GLU 36 1HB GLU 36 -7.525 0.469 8.801 290 2HB GLU 36 2HB GLU 36 -6.990 2.137 9.124 291 1HG GLU 36 1HG GLU 36 -7.367 2.752 6.808 292 2HG GLU 36 2HG GLU 36 -7.771 1.107 6.362 293 H LYS 37 H LYS 37 -3.208 0.898 8.970 294 HA LYS 37 HA LYS 37 -3.119 -1.651 10.276 295 1HB LYS 37 1HB LYS 37 -1.539 0.922 10.618 296 2HB LYS 37 2HB LYS 37 -1.065 -0.646 11.296 297 1HG LYS 37 1HG LYS 37 -1.601 -0.781 8.428 298 2HG LYS 37 2HG LYS 37 -0.269 0.332 8.837 299 1HD LYS 37 1HD LYS 37 -0.525 -2.604 9.582 300 2HD LYS 37 2HD LYS 37 0.745 -1.852 8.586 301 1HE LYS 37 1HE LYS 37 0.213 -1.219 11.534 302 2HE LYS 37 2HE LYS 37 1.454 -2.351 10.967 303 1HZ LYS 37 1HZ LYS 37 1.341 0.497 10.256 304 2HZ LYS 37 2HZ LYS 37 2.326 -0.169 11.405 305 3HZ LYS 37 3HZ LYS 37 2.510 -0.598 9.830 306 H ASP 38 H ASP 38 -4.975 -1.799 11.646 307 HA ASP 38 HA ASP 38 -6.332 -1.384 13.439 308 1HB ASP 38 1HB ASP 38 -3.745 -0.351 14.620 309 2HB ASP 38 2HB ASP 38 -5.191 -0.808 15.540 310 H GLY 39 H GLY 39 -6.096 0.696 11.374 311 1HA GLY 39 1HA GLY 39 -7.513 2.780 11.649 312 2HA GLY 39 2HA GLY 39 -6.522 3.091 13.093 313 H LYS 40 H LYS 40 -4.023 2.099 11.623 314 HA LYS 40 HA LYS 40 -3.187 4.674 10.613 315 1HB LYS 40 1HB LYS 40 -1.854 1.942 10.493 316 2HB LYS 40 2HB LYS 40 -1.048 3.521 10.326 317 1HG LYS 40 1HG LYS 40 -1.768 4.063 12.679 318 2HG LYS 40 2HG LYS 40 -2.471 2.425 12.797 319 1HD LYS 40 1HD LYS 40 -0.158 2.586 13.775 320 2HD LYS 40 2HD LYS 40 -0.319 1.389 12.466 321 1HE LYS 40 1HE LYS 40 0.583 2.995 10.842 322 2HE LYS 40 2HE LYS 40 0.679 4.245 12.094 323 1HZ LYS 40 1HZ LYS 40 2.155 1.701 12.131 324 2HZ LYS 40 2HZ LYS 40 2.795 3.171 11.741 325 3HZ LYS 40 3HZ LYS 40 2.249 2.886 13.270 326 H LYS 41 H LYS 41 -4.897 4.785 8.958 327 HA LYS 41 HA LYS 41 -4.636 2.924 6.731 328 1HB LYS 41 1HB LYS 41 -6.781 3.398 7.460 329 2HB LYS 41 2HB LYS 41 -6.516 5.129 7.485 330 1HG LYS 41 1HG LYS 41 -6.318 3.544 4.921 331 2HG LYS 41 2HG LYS 41 -7.902 4.098 5.468 332 1HD LYS 41 1HD LYS 41 -7.380 6.388 5.359 333 2HD LYS 41 2HD LYS 41 -5.628 6.084 5.350 334 1HE LYS 41 1HE LYS 41 -5.873 4.929 3.161 335 2HE LYS 41 2HE LYS 41 -7.570 5.426 3.102 336 1HZ LYS 41 1HZ LYS 41 -5.290 7.273 3.248 337 2HZ LYS 41 2HZ LYS 41 -6.190 6.940 1.904 338 3HZ LYS 41 3HZ LYS 41 -6.886 7.690 3.191 339 H VAL 42 H VAL 42 -4.065 3.206 4.759 340 HA VAL 42 HA VAL 42 -3.271 5.819 3.596 341 HB VAL 42 HB VAL 42 -1.284 4.548 2.571 342 1HG1 VAL 42 1HG1 VAL 42 -0.969 6.263 4.302 343 2HG1 VAL 42 2HG1 VAL 42 -1.219 5.027 5.564 344 3HG1 VAL 42 3HG1 VAL 42 0.191 4.924 4.478 345 1HG2 VAL 42 1HG2 VAL 42 -2.110 2.299 3.186 346 2HG2 VAL 42 2HG2 VAL 42 -0.470 2.586 3.835 347 3HG2 VAL 42 3HG2 VAL 42 -1.893 2.694 4.906 348 H ASN 43 H ASN 43 -2.700 5.436 1.172 349 HA ASN 43 HA ASN 43 -4.961 4.050 -0.006 350 1HB ASN 43 1HB ASN 43 -3.967 6.172 -0.956 351 2HB ASN 43 2HB ASN 43 -2.494 5.236 -1.324 352 1HD2 ASN 43 2HD2 ASN 43 -5.726 6.036 -2.390 353 2HD2 ASN 43 1HD2 ASN 43 -5.720 4.969 -3.771 354 H ALA 44 H ALA 44 -4.972 2.098 0.202 355 HA ALA 44 HA ALA 44 -3.071 0.163 0.639 356 1HB ALA 44 1HB ALA 44 -5.563 -0.150 0.726 357 2HB ALA 44 2HB ALA 44 -5.600 -0.051 -1.046 358 3HB ALA 44 3HB ALA 44 -4.790 -1.420 -0.262 359 H LYS 45 H LYS 45 -4.203 1.383 -2.509 360 HA LYS 45 HA LYS 45 -2.651 -0.665 -3.948 361 1HB LYS 45 1HB LYS 45 -3.668 0.430 -5.952 362 2HB LYS 45 2HB LYS 45 -4.851 -0.242 -4.806 363 1HG LYS 45 1HG LYS 45 -5.401 1.945 -3.968 364 2HG LYS 45 2HG LYS 45 -3.946 2.650 -4.671 365 1HD LYS 45 1HD LYS 45 -5.788 3.285 -6.076 366 2HD LYS 45 2HD LYS 45 -4.833 2.078 -6.971 367 1HE LYS 45 1HE LYS 45 -6.416 0.296 -6.202 368 2HE LYS 45 2HE LYS 45 -7.414 1.541 -5.421 369 1HZ LYS 45 1HZ LYS 45 -6.819 1.412 -8.294 370 2HZ LYS 45 2HZ LYS 45 -8.235 0.980 -7.577 371 3HZ LYS 45 3HZ LYS 45 -7.747 2.548 -7.531 372 H SER 46 H SER 46 -1.976 2.371 -2.626 373 HA SER 46 HA SER 46 0.073 2.908 -4.705 374 1HB SER 46 1HB SER 46 -0.934 4.584 -2.371 375 2HB SER 46 2HB SER 46 0.307 5.102 -3.539 376 HG SER 46 HG SER 46 -2.352 4.330 -4.179 377 H ILE 47 H ILE 47 2.195 3.524 -3.967 378 HA ILE 47 HA ILE 47 3.734 1.841 -2.573 379 HB ILE 47 HB ILE 47 4.764 3.601 -3.702 380 1HG1 ILE 47 1HG1 ILE 47 5.641 2.876 -1.294 381 2HG1 ILE 47 2HG1 ILE 47 6.477 4.106 -2.235 382 1HG2 ILE 47 1HG2 ILE 47 2.986 5.290 -3.563 383 2HG2 ILE 47 2HG2 ILE 47 3.408 5.593 -1.860 384 3HG2 ILE 47 3HG2 ILE 47 4.571 5.981 -3.144 385 1HD1 ILE 47 1HD1 ILE 47 5.163 5.884 -1.015 386 2HD1 ILE 47 2HD1 ILE 47 4.402 4.620 -0.042 387 3HD1 ILE 47 3HD1 ILE 47 6.147 4.898 0.098 388 H MET 48 H MET 48 2.342 4.732 -0.930 389 HA MET 48 HA MET 48 3.422 3.842 1.537 390 1HB MET 48 1HB MET 48 2.845 6.200 1.027 391 2HB MET 48 2HB MET 48 1.122 5.780 1.070 392 1HG MET 48 1HG MET 48 1.417 4.994 3.426 393 2HG MET 48 2HG MET 48 3.125 5.453 3.341 394 1HE MET 48 1HE MET 48 3.974 7.881 3.028 395 2HE MET 48 2HE MET 48 2.869 8.190 1.665 396 3HE MET 48 3HE MET 48 2.938 9.331 3.034 397 H GLY 49 H GLY 49 0.556 2.781 -0.095 398 1HA GLY 49 1HA GLY 49 -0.701 1.795 2.357 399 2HA GLY 49 2HA GLY 49 -1.212 1.471 0.665 400 H LEU 50 H LEU 50 1.105 0.566 -0.514 401 HA LEU 50 HA LEU 50 1.351 -2.117 0.346 402 1HB LEU 50 1HB LEU 50 1.660 -0.730 -1.907 403 2HB LEU 50 2HB LEU 50 3.334 -0.650 -1.381 404 HG LEU 50 HG LEU 50 1.787 -3.214 -1.902 405 1HD1 LEU 50 1HD1 LEU 50 2.624 -1.976 -3.912 406 2HD1 LEU 50 2HD1 LEU 50 4.262 -2.011 -3.212 407 3HD1 LEU 50 3HD1 LEU 50 3.458 -3.532 -3.670 408 1HD2 LEU 50 1HD2 LEU 50 3.293 -3.398 0.040 409 2HD2 LEU 50 2HD2 LEU 50 3.898 -4.352 -1.332 410 3HD2 LEU 50 3HD2 LEU 50 4.642 -2.774 -0.932 411 H MET 51 H MET 51 3.934 0.205 -0.161 412 HA MET 51 HA MET 51 6.015 -1.353 1.076 413 1HB MET 51 1HB MET 51 6.258 0.275 -0.909 414 2HB MET 51 2HB MET 51 5.872 1.571 0.227 415 1HG MET 51 1HG MET 51 7.829 0.622 1.654 416 2HG MET 51 2HG MET 51 8.336 -0.162 0.148 417 1HE MET 51 1HE MET 51 6.478 3.172 0.769 418 2HE MET 51 2HE MET 51 7.692 3.169 2.073 419 3HE MET 51 3HE MET 51 7.787 4.379 0.768 420 H SER 52 H SER 52 3.977 1.447 1.917 421 HA SER 52 HA SER 52 5.671 1.893 4.273 422 1HB SER 52 1HB SER 52 3.048 3.255 3.613 423 2HB SER 52 2HB SER 52 4.262 3.781 4.801 424 HG SER 52 HG SER 52 5.754 3.925 3.006 425 H LEU 53 H LEU 53 2.083 1.607 4.282 426 HA LEU 53 HA LEU 53 2.333 0.702 7.032 427 1HB LEU 53 1HB LEU 53 -0.022 1.255 5.221 428 2HB LEU 53 2HB LEU 53 -0.180 0.755 6.920 429 HG LEU 53 HG LEU 53 1.167 2.704 7.647 430 1HD1 LEU 53 1HD2 LEU 53 0.984 3.521 4.718 431 2HD1 LEU 53 2HD2 LEU 53 1.492 4.594 6.050 432 3HD1 LEU 53 3HD2 LEU 53 2.478 3.176 5.626 433 1HD2 LEU 53 1HD1 LEU 53 -1.190 3.356 5.845 434 2HD2 LEU 53 2HD1 LEU 53 -1.291 2.833 7.543 435 3HD2 LEU 53 3HD1 LEU 53 -0.564 4.409 7.137 436 H ALA 54 H ALA 54 0.919 -0.770 4.080 437 HA ALA 54 HA ALA 54 0.161 -3.185 5.325 438 1HB ALA 54 1HB ALA 54 -0.776 -2.313 3.223 439 2HB ALA 54 2HB ALA 54 0.764 -2.644 2.412 440 3HB ALA 54 3HB ALA 54 -0.200 -3.992 3.062 441 H VAL 55 H VAL 55 3.359 -2.133 4.395 442 HA VAL 55 HA VAL 55 4.480 -4.731 4.118 443 HB VAL 55 HB VAL 55 5.545 -2.515 3.530 444 1HG1 VAL 55 1HG2 VAL 55 5.163 -1.368 5.701 445 2HG1 VAL 55 2HG2 VAL 55 6.221 -2.555 6.505 446 3HG1 VAL 55 3HG2 VAL 55 6.889 -1.435 5.292 447 1HG2 VAL 55 1HG1 VAL 55 7.090 -4.530 5.200 448 2HG2 VAL 55 2HG1 VAL 55 6.725 -4.661 3.465 449 3HG2 VAL 55 3HG1 VAL 55 7.816 -3.379 4.049 450 H SER 56 H SER 56 3.004 -3.332 6.898 451 HA SER 56 HA SER 56 4.721 -4.593 8.831 452 1HB SER 56 1HB SER 56 1.892 -3.589 9.198 453 2HB SER 56 2HB SER 56 3.130 -3.802 10.445 454 HG SER 56 HG SER 56 3.114 -1.940 8.279 455 H THR 57 H THR 57 4.493 -6.775 7.486 456 HA THR 57 HA THR 57 2.501 -8.568 7.592 457 HB THR 57 HB THR 57 5.301 -9.087 8.625 458 HG1 THR 57 HG1 THR 57 4.453 -9.527 5.959 459 1HG2 THR 57 1HG2 THR 57 4.926 -11.381 7.821 460 2HG2 THR 57 2HG2 THR 57 3.712 -10.925 9.039 461 3HG2 THR 57 3HG2 THR 57 3.275 -10.943 7.314 462 H GLY 58 H GLY 58 1.016 -8.920 9.011 463 1HA GLY 58 1HA GLY 58 0.144 -10.164 10.807 464 2HA GLY 58 2HA GLY 58 1.621 -9.916 11.726 465 H THR 59 H THR 59 0.309 -7.053 10.166 466 HA THR 59 HA THR 59 -0.669 -6.250 12.862 467 HB THR 59 HB THR 59 -0.301 -4.387 10.493 468 HG1 THR 59 HG1 THR 59 1.672 -5.486 10.971 469 1HG2 THR 59 1HG2 THR 59 -0.027 -2.713 12.310 470 2HG2 THR 59 2HG2 THR 59 -1.576 -3.572 12.477 471 3HG2 THR 59 3HG2 THR 59 -0.198 -4.007 13.516 472 H GLU 60 H GLU 60 -2.900 -5.972 13.173 473 HA GLU 60 HA GLU 60 -4.630 -6.800 11.016 474 1HB GLU 60 1HB GLU 60 -5.534 -5.452 13.575 475 2HB GLU 60 2HB GLU 60 -6.413 -6.604 12.536 476 1HG GLU 60 1HG GLU 60 -3.971 -7.242 14.249 477 2HG GLU 60 2HG GLU 60 -5.645 -7.744 14.563 478 H VAL 61 H VAL 61 -4.834 -5.551 9.306 479 HA VAL 61 HA VAL 61 -5.282 -2.635 9.746 480 HB VAL 61 HB VAL 61 -4.056 -2.262 7.616 481 1HG1 VAL 61 1HG1 VAL 61 -2.741 -2.371 9.774 482 2HG1 VAL 61 2HG1 VAL 61 -2.507 -4.110 9.490 483 3HG1 VAL 61 3HG1 VAL 61 -1.804 -2.919 8.367 484 1HG2 VAL 61 1HG2 VAL 61 -3.634 -5.262 7.827 485 2HG2 VAL 61 2HG2 VAL 61 -4.613 -4.431 6.586 486 3HG2 VAL 61 3HG2 VAL 61 -2.834 -4.197 6.637 487 H THR 62 H THR 62 -7.032 -1.757 8.778 488 HA THR 62 HA THR 62 -8.948 -3.549 7.556 489 HB THR 62 HB THR 62 -9.126 -0.536 7.651 490 HG1 THR 62 HG1 THR 62 -9.653 -0.668 9.768 491 1HG2 THR 62 1HG2 THR 62 -11.526 -1.058 8.102 492 2HG2 THR 62 2HG2 THR 62 -10.994 -1.785 6.580 493 3HG2 THR 62 3HG2 THR 62 -11.150 -2.794 8.035 494 H LEU 63 H LEU 63 -8.869 -4.153 5.422 495 HA LEU 63 HA LEU 63 -7.520 -2.383 3.515 496 1HB LEU 63 1HB LEU 63 -7.387 -4.936 3.621 497 2HB LEU 63 2HB LEU 63 -9.039 -4.960 2.968 498 HG LEU 63 HG LEU 63 -7.217 -5.229 1.311 499 1HD1 LEU 63 1HD1 LEU 63 -9.447 -4.300 0.663 500 2HD1 LEU 63 2HD1 LEU 63 -8.782 -2.656 0.866 501 3HD1 LEU 63 3HD1 LEU 63 -8.123 -3.737 -0.382 502 1HD2 LEU 63 1HD2 LEU 63 -5.596 -3.660 2.390 503 2HD2 LEU 63 2HD2 LEU 63 -5.835 -3.312 0.661 504 3HD2 LEU 63 3HD2 LEU 63 -6.626 -2.295 1.886 505 H ILE 64 H ILE 64 -8.546 -0.768 2.763 506 HA ILE 64 HA ILE 64 -11.520 -0.649 2.658 507 HB ILE 64 HB ILE 64 -9.519 1.588 2.208 508 1HG1 ILE 64 1HG1 ILE 64 -10.641 0.769 4.894 509 2HG1 ILE 64 2HG1 ILE 64 -8.931 0.913 4.437 510 1HG2 ILE 64 1HG2 ILE 64 -12.431 1.567 3.049 511 2HG2 ILE 64 2HG2 ILE 64 -11.404 3.022 2.918 512 3HG2 ILE 64 3HG2 ILE 64 -11.769 2.055 1.473 513 1HD1 ILE 64 1HD1 ILE 64 -11.002 3.158 4.402 514 2HD1 ILE 64 2HD1 ILE 64 -9.808 2.920 5.696 515 3HD1 ILE 64 3HD1 ILE 64 -9.271 3.340 4.046 516 H ALA 65 H ALA 65 -12.424 0.414 0.805 517 HA ALA 65 HA ALA 65 -10.901 1.400 -1.375 518 1HB ALA 65 1HB ALA 65 -12.685 -1.076 -1.838 519 2HB ALA 65 2HB ALA 65 -11.907 -0.121 -3.121 520 3HB ALA 65 3HB ALA 65 -10.913 -1.097 -2.014 521 H GLN 66 H GLN 66 -11.588 2.982 -1.991 522 HA GLN 66 HA GLN 66 -14.468 3.397 -1.560 523 1HB GLN 66 1HB GLN 66 -13.960 5.175 -0.394 524 2HB GLN 66 2HB GLN 66 -12.490 4.325 -0.078 525 1HG GLN 66 1HG GLN 66 -11.172 5.729 -1.286 526 2HG GLN 66 2HG GLN 66 -12.485 6.184 -2.408 527 1HE2 GLN 66 2HE2 GLN 66 -10.841 8.208 -1.286 528 2HE2 GLN 66 1HE2 GLN 66 -11.800 9.125 -0.146 529 H GLY 67 H GLY 67 -14.653 2.481 -3.617 530 1HA GLY 67 1HA GLY 67 -14.564 4.391 -5.857 531 2HA GLY 67 2HA GLY 67 -13.571 2.961 -5.991 532 H GLU 68 H GLU 68 -15.068 2.806 -7.825 533 HA GLU 68 HA GLU 68 -17.693 1.889 -7.838 534 1HB GLU 68 1HB GLU 68 -15.325 0.800 -9.421 535 2HB GLU 68 2HB GLU 68 -17.033 0.683 -9.875 536 1HG GLU 68 1HG GLU 68 -15.471 3.288 -9.583 537 2HG GLU 68 2HG GLU 68 -15.948 2.519 -11.113 538 H ASP 69 H ASP 69 -14.683 0.087 -6.975 539 HA ASP 69 HA ASP 69 -16.383 -2.268 -6.251 540 1HB ASP 69 1HB ASP 69 -13.480 -2.405 -6.879 541 2HB ASP 69 2HB ASP 69 -14.657 -3.707 -6.820 542 H GLU 70 H GLU 70 -16.388 -0.174 -4.490 543 HA GLU 70 HA GLU 70 -14.154 -0.090 -2.797 544 1HB GLU 70 1HB GLU 70 -15.882 0.615 -1.084 545 2HB GLU 70 2HB GLU 70 -15.790 1.580 -2.561 546 1HG GLU 70 1HG GLU 70 -17.885 1.218 -3.135 547 2HG GLU 70 2HG GLU 70 -17.770 -0.529 -2.862 548 H GLN 71 H GLN 71 -17.208 -1.699 -1.900 549 HA GLN 71 HA GLN 71 -16.262 -3.438 0.002 550 1HB GLN 71 1HB GLN 71 -18.580 -3.415 -1.891 551 2HB GLN 71 2HB GLN 71 -18.218 -4.933 -1.042 552 1HG GLN 71 1HG GLN 71 -18.546 -2.245 0.339 553 2HG GLN 71 2HG GLN 71 -19.770 -3.530 0.284 554 1HE2 GLN 71 2HE2 GLN 71 -17.394 -5.587 0.405 555 2HE2 GLN 71 1HE2 GLN 71 -17.090 -5.635 2.134 556 H GLU 72 H GLU 72 -16.332 -4.025 -3.530 557 HA GLU 72 HA GLU 72 -15.606 -6.758 -3.396 558 1HB GLU 72 1HB GLU 72 -16.523 -5.869 -5.446 559 2HB GLU 72 2HB GLU 72 -15.393 -4.494 -5.436 560 1HG GLU 72 1HG GLU 72 -14.749 -5.996 -7.159 561 2HG GLU 72 2HG GLU 72 -13.515 -6.032 -5.891 562 H ALA 73 H ALA 73 -13.676 -3.732 -3.879 563 HA ALA 73 HA ALA 73 -11.166 -4.993 -4.118 564 1HB ALA 73 1HB ALA 73 -11.883 -2.743 -4.795 565 2HB ALA 73 2HB ALA 73 -12.139 -2.296 -3.116 566 3HB ALA 73 3HB ALA 73 -10.466 -2.611 -3.699 567 H LEU 74 H LEU 74 -12.635 -3.266 -1.366 568 HA LEU 74 HA LEU 74 -10.631 -3.663 0.518 569 1HB LEU 74 1HB LEU 74 -12.328 -2.977 2.115 570 2HB LEU 74 2HB LEU 74 -12.479 -2.098 0.571 571 HG LEU 74 HG LEU 74 -14.202 -3.974 -0.043 572 1HD1 LEU 74 1HD2 LEU 74 -14.361 -3.824 2.993 573 2HD1 LEU 74 2HD2 LEU 74 -15.541 -4.624 1.918 574 3HD1 LEU 74 3HD2 LEU 74 -13.882 -5.265 2.047 575 1HD2 LEU 74 1HD1 LEU 74 -14.804 -1.697 1.873 576 2HD2 LEU 74 2HD1 LEU 74 -14.655 -1.570 0.109 577 3HD2 LEU 74 3HD1 LEU 74 -15.984 -2.507 0.817 578 H GLU 75 H GLU 75 -13.495 -5.798 -0.091 579 HA GLU 75 HA GLU 75 -12.862 -7.623 1.981 580 1HB GLU 75 1HB GLU 75 -14.318 -8.099 -0.644 581 2HB GLU 75 2HB GLU 75 -14.300 -9.200 0.757 582 1HG GLU 75 1HG GLU 75 -15.352 -6.353 0.786 583 2HG GLU 75 2HG GLU 75 -16.344 -7.823 0.705 584 H LYS 76 H LYS 76 -12.072 -7.909 -1.592 585 HA LYS 76 HA LYS 76 -10.848 -10.473 -1.020 586 1HB LYS 76 1HB LYS 76 -9.865 -10.234 -3.309 587 2HB LYS 76 2HB LYS 76 -11.641 -10.245 -3.214 588 1HG LYS 76 1HG LYS 76 -11.719 -7.835 -3.499 589 2HG LYS 76 2HG LYS 76 -9.941 -7.718 -3.477 590 1HD LYS 76 1HD LYS 76 -11.325 -9.609 -5.407 591 2HD LYS 76 2HD LYS 76 -11.310 -7.879 -5.737 592 1HE LYS 76 1HE LYS 76 -9.444 -8.881 -6.900 593 2HE LYS 76 2HE LYS 76 -8.819 -7.847 -5.610 594 1HZ LYS 76 1HZ LYS 76 -9.134 -10.765 -5.434 595 2HZ LYS 76 2HZ LYS 76 -7.717 -9.985 -5.756 596 3HZ LYS 76 3HZ LYS 76 -8.457 -9.788 -4.289 597 H LEU 77 H LEU 77 -9.580 -7.157 -1.285 598 HA LEU 77 HA LEU 77 -6.852 -8.067 -1.245 599 1HB LEU 77 1HB LEU 77 -8.117 -5.391 -0.662 600 2HB LEU 77 2HB LEU 77 -6.353 -5.708 -0.604 601 HG LEU 77 HG LEU 77 -6.813 -4.863 -2.816 602 1HD1 LEU 77 1HD2 LEU 77 -5.211 -6.750 -2.546 603 2HD1 LEU 77 2HD2 LEU 77 -6.569 -7.888 -2.821 604 3HD1 LEU 77 3HD2 LEU 77 -6.057 -6.782 -4.124 605 1HD2 LEU 77 1HD1 LEU 77 -8.703 -7.226 -3.086 606 2HD2 LEU 77 2HD1 LEU 77 -9.216 -5.522 -3.027 607 3HD2 LEU 77 3HD1 LEU 77 -8.232 -6.116 -4.400 608 H ALA 78 H ALA 78 -9.041 -6.896 1.429 609 HA ALA 78 HA ALA 78 -7.043 -7.325 3.443 610 1HB ALA 78 1HB ALA 78 -10.072 -7.505 3.697 611 2HB ALA 78 2HB ALA 78 -8.912 -7.399 5.038 612 3HB ALA 78 3HB ALA 78 -9.086 -6.036 3.922 613 H ALA 79 H ALA 79 -9.368 -9.498 1.855 614 HA ALA 79 HA ALA 79 -9.089 -11.823 3.432 615 1HB ALA 79 1HB ALA 79 -10.589 -11.452 1.404 616 2HB ALA 79 2HB ALA 79 -9.114 -11.580 0.396 617 3HB ALA 79 3HB ALA 79 -9.669 -12.984 1.344 618 H TYR 80 H TYR 80 -7.343 -10.761 0.550 619 HA TYR 80 HA TYR 80 -5.385 -12.715 0.282 620 1HB TYR 80 1HB TYR 80 -5.952 -10.983 -1.338 621 2HB TYR 80 2HB TYR 80 -5.423 -9.728 -0.228 622 HD1 TYR 80 HD1 TYR 80 -3.187 -9.057 0.068 623 HD2 TYR 80 HD2 TYR 80 -4.049 -12.628 -2.173 624 HE1 TYR 80 HE1 TYR 80 -0.757 -9.539 -0.103 625 HE2 TYR 80 HE2 TYR 80 -1.618 -13.070 -2.390 626 HH TYR 80 HH TYR 80 0.863 -11.109 -0.753 627 H VAL 81 H VAL 81 -5.227 -9.673 2.218 628 HA VAL 81 HA VAL 81 -2.411 -9.931 2.669 629 HB VAL 81 HB VAL 81 -2.611 -8.101 4.145 630 1HG1 VAL 81 1HG1 VAL 81 -3.322 -7.587 1.804 631 2HG1 VAL 81 2HG1 VAL 81 -4.993 -7.959 2.269 632 3HG1 VAL 81 3HG1 VAL 81 -4.170 -6.561 3.002 633 1HG2 VAL 81 1HG2 VAL 81 -5.521 -8.934 4.462 634 2HG2 VAL 81 2HG2 VAL 81 -4.247 -9.109 5.679 635 3HG2 VAL 81 3HG2 VAL 81 -4.799 -7.485 5.201 636 H GLN 82 H GLN 82 -5.247 -11.295 4.344 637 HA GLN 82 HA GLN 82 -3.362 -11.926 6.507 638 1HB GLN 82 1HB GLN 82 -5.283 -11.859 7.852 639 2HB GLN 82 2HB GLN 82 -5.442 -10.541 6.696 640 1HG GLN 82 1HG GLN 82 -7.066 -11.906 5.406 641 2HG GLN 82 2HG GLN 82 -6.699 -13.278 6.435 642 1HE2 GLN 82 2HE2 GLN 82 -9.233 -11.917 6.090 643 2HE2 GLN 82 1HE2 GLN 82 -9.775 -11.408 7.691 644 H GLU 83 H GLU 83 -5.578 -13.435 4.297 645 HA GLU 83 HA GLU 83 -6.675 -15.575 5.368 646 1HB GLU 83 1HB GLU 83 -6.653 -14.518 3.110 647 2HB GLU 83 2HB GLU 83 -5.369 -15.675 2.639 648 1HG GLU 83 1HG GLU 83 -8.104 -16.468 3.742 649 2HG GLU 83 2HG GLU 83 -7.704 -16.400 2.016 650 H GLU 84 H GLU 84 -3.584 -16.171 3.647 651 HA GLU 84 HA GLU 84 -3.315 -18.644 5.257 652 1HB GLU 84 1HB GLU 84 -1.547 -19.149 3.546 653 2HB GLU 84 2HB GLU 84 -3.177 -18.953 2.886 654 1HG GLU 84 1HG GLU 84 -1.390 -16.516 2.897 655 2HG GLU 84 2HG GLU 84 -1.067 -17.819 1.736 656 H VAL 85 H VAL 85 -0.440 -17.536 4.017 657 HA VAL 85 HA VAL 85 0.632 -15.791 6.141 658 HB VAL 85 HB VAL 85 2.619 -17.101 6.478 659 1HG1 VAL 85 1HG1 VAL 85 0.361 -19.172 6.950 660 2HG1 VAL 85 2HG1 VAL 85 2.005 -19.251 7.632 661 3HG1 VAL 85 3HG1 VAL 85 0.928 -17.954 8.117 662 1HG2 VAL 85 1HG2 VAL 85 2.816 -18.170 4.188 663 2HG2 VAL 85 2HG2 VAL 85 3.135 -19.321 5.490 664 3HG2 VAL 85 3HG2 VAL 85 1.571 -19.361 4.635 Start of MODEL 6 1 1H VAL 2 1H VAL 2 -16.405 6.376 -2.128 2 2H VAL 2 2H VAL 2 -16.882 5.170 -3.199 3 3H VAL 2 3H VAL 2 -17.901 6.472 -2.890 4 HA VAL 2 HA VAL 2 -18.172 5.807 -0.634 5 HB VAL 2 HB VAL 2 -19.400 3.682 -1.052 6 1HG1 VAL 2 1HG1 VAL 2 -20.406 5.882 -1.564 7 2HG1 VAL 2 2HG1 VAL 2 -19.718 5.816 -3.204 8 3HG1 VAL 2 3HG1 VAL 2 -20.959 4.640 -2.710 9 1HG2 VAL 2 1HG2 VAL 2 -17.809 2.676 -2.666 10 2HG2 VAL 2 2HG2 VAL 2 -19.461 2.749 -3.329 11 3HG2 VAL 2 3HG2 VAL 2 -18.233 3.925 -3.857 12 H GLN 3 H GLN 3 -17.099 5.030 1.128 13 HA GLN 3 HA GLN 3 -14.847 3.236 0.462 14 1HB GLN 3 1HB GLN 3 -14.338 5.475 1.447 15 2HB GLN 3 2HB GLN 3 -15.206 4.981 2.928 16 1HG GLN 3 1HG GLN 3 -13.685 3.026 3.148 17 2HG GLN 3 2HG GLN 3 -12.859 3.522 1.652 18 1HE2 GLN 3 2HE2 GLN 3 -13.775 4.906 4.872 19 2HE2 GLN 3 1HE2 GLN 3 -12.260 5.762 5.073 20 H GLN 4 H GLN 4 -14.733 1.227 1.129 21 HA GLN 4 HA GLN 4 -16.001 0.527 3.687 22 1HB GLN 4 1HB GLN 4 -17.037 -0.402 1.225 23 2HB GLN 4 2HB GLN 4 -16.016 -1.725 1.820 24 1HG GLN 4 1HG GLN 4 -18.230 -0.332 3.380 25 2HG GLN 4 2HG GLN 4 -18.315 -1.967 2.675 26 1HE2 GLN 4 2HE2 GLN 4 -17.143 -3.700 3.689 27 2HE2 GLN 4 1HE2 GLN 4 -16.163 -3.430 5.150 28 H LYS 5 H LYS 5 -14.794 -1.189 4.766 29 HA LYS 5 HA LYS 5 -12.353 -2.192 3.517 30 1HB LYS 5 1HB LYS 5 -11.082 -1.623 5.570 31 2HB LYS 5 2HB LYS 5 -11.547 -0.207 4.614 32 1HG LYS 5 1HG LYS 5 -13.192 -1.145 6.978 33 2HG LYS 5 2HG LYS 5 -11.801 -0.041 7.166 34 1HD LYS 5 1HD LYS 5 -12.791 1.649 5.831 35 2HD LYS 5 2HD LYS 5 -14.056 0.554 5.234 36 1HE LYS 5 1HE LYS 5 -13.735 1.441 8.132 37 2HE LYS 5 2HE LYS 5 -14.920 2.090 6.979 38 1HZ LYS 5 1HZ LYS 5 -15.840 -0.116 6.778 39 2HZ LYS 5 2HZ LYS 5 -14.774 -0.701 7.887 40 3HZ LYS 5 3HZ LYS 5 -15.897 0.416 8.338 41 H VAL 6 H VAL 6 -11.519 -3.974 4.643 42 HA VAL 6 HA VAL 6 -13.200 -5.191 6.756 43 HB VAL 6 HB VAL 6 -12.689 -7.428 5.473 44 1HG1 VAL 6 1HG2 VAL 6 -14.772 -5.398 4.564 45 2HG1 VAL 6 2HG2 VAL 6 -14.872 -7.160 4.317 46 3HG1 VAL 6 3HG2 VAL 6 -14.914 -6.486 5.964 47 1HG2 VAL 6 1HG1 VAL 6 -11.336 -6.351 3.646 48 2HG2 VAL 6 2HG1 VAL 6 -12.791 -7.160 3.015 49 3HG2 VAL 6 3HG1 VAL 6 -12.757 -5.390 3.195 50 H GLU 7 H GLU 7 -11.916 -6.379 8.288 51 HA GLU 7 HA GLU 7 -9.160 -5.415 8.097 52 1HB GLU 7 1HB GLU 7 -11.016 -6.380 10.287 53 2HB GLU 7 2HB GLU 7 -9.277 -6.643 10.544 54 1HG GLU 7 1HG GLU 7 -10.358 -3.921 9.787 55 2HG GLU 7 2HG GLU 7 -10.183 -4.465 11.468 56 H VAL 8 H VAL 8 -7.316 -6.549 8.801 57 HA VAL 8 HA VAL 8 -7.288 -9.454 8.585 58 HB VAL 8 HB VAL 8 -6.654 -9.670 6.433 59 1HG1 VAL 8 1HG2 VAL 8 -7.199 -6.695 6.184 60 2HG1 VAL 8 2HG2 VAL 8 -7.031 -7.852 4.834 61 3HG1 VAL 8 3HG2 VAL 8 -8.379 -8.017 5.981 62 1HG2 VAL 8 1HG1 VAL 8 -4.794 -7.301 6.813 63 2HG2 VAL 8 2HG1 VAL 8 -4.373 -9.026 6.956 64 3HG2 VAL 8 3HG1 VAL 8 -4.830 -8.354 5.378 65 H ARG 9 H ARG 9 -5.177 -10.314 9.140 66 HA ARG 9 HA ARG 9 -3.267 -8.214 10.108 67 1HB ARG 9 1HB ARG 9 -3.210 -9.929 11.699 68 2HB ARG 9 2HB ARG 9 -3.344 -11.232 10.474 69 1HG ARG 9 1HG ARG 9 -0.955 -9.413 10.578 70 2HG ARG 9 2HG ARG 9 -1.065 -10.826 11.638 71 1HD ARG 9 1HD ARG 9 -1.426 -11.069 8.624 72 2HD ARG 9 2HD ARG 9 0.149 -11.190 9.422 73 HE ARG 9 HE ARG 9 -0.571 -13.147 10.578 74 1HH1 ARG 9 2HH1 ARG 9 -2.901 -12.046 8.132 75 2HH1 ARG 9 1HH1 ARG 9 -3.415 -13.676 7.734 76 1HH2 ARG 9 1HH2 ARG 9 -1.289 -15.254 10.047 77 2HH2 ARG 9 2HH2 ARG 9 -2.513 -15.484 8.825 78 H LEU 10 H LEU 10 -1.827 -7.507 8.642 79 HA LEU 10 HA LEU 10 -1.910 -8.462 5.969 80 1HB LEU 10 1HB LEU 10 -1.184 -6.142 7.086 81 2HB LEU 10 2HB LEU 10 0.424 -6.898 7.048 82 HG LEU 10 HG LEU 10 0.528 -6.027 4.963 83 1HD1 LEU 10 1HD1 LEU 10 0.283 -8.435 4.589 84 2HD1 LEU 10 2HD1 LEU 10 -1.474 -8.238 4.349 85 3HD1 LEU 10 3HD1 LEU 10 -0.324 -7.491 3.202 86 1HD2 LEU 10 1HD2 LEU 10 -1.526 -4.678 5.315 87 2HD2 LEU 10 2HD2 LEU 10 -1.444 -5.309 3.653 88 3HD2 LEU 10 3HD2 LEU 10 -2.525 -6.076 4.844 89 H LYS 11 H LYS 11 -1.536 -10.654 6.051 90 HA LYS 11 HA LYS 11 0.807 -11.862 7.205 91 1HB LYS 11 1HB LYS 11 -1.164 -13.081 7.235 92 2HB LYS 11 2HB LYS 11 -1.571 -12.678 5.558 93 1HG LYS 11 1HG LYS 11 0.751 -14.463 6.232 94 2HG LYS 11 2HG LYS 11 -0.905 -15.044 5.953 95 1HD LYS 11 1HD LYS 11 0.951 -13.624 4.046 96 2HD LYS 11 2HD LYS 11 0.044 -15.118 3.768 97 1HE LYS 11 1HE LYS 11 -1.333 -12.410 4.164 98 2HE LYS 11 2HE LYS 11 -0.773 -12.997 2.570 99 1HZ LYS 11 1HZ LYS 11 -2.606 -14.406 4.284 100 2HZ LYS 11 2HZ LYS 11 -3.033 -13.515 2.950 101 3HZ LYS 11 3HZ LYS 11 -2.129 -14.880 2.787 102 H THR 12 H THR 12 0.070 -10.578 3.944 103 HA THR 12 HA THR 12 2.490 -11.771 2.747 104 HB THR 12 HB THR 12 2.218 -9.901 1.109 105 HG1 THR 12 HG1 THR 12 0.245 -8.727 1.239 106 1HG2 THR 12 1HG2 THR 12 0.091 -10.701 0.110 107 2HG2 THR 12 2HG2 THR 12 1.062 -12.065 0.712 108 3HG2 THR 12 3HG2 THR 12 -0.336 -11.486 1.651 109 H GLY 13 H GLY 13 1.426 -8.638 3.761 110 1HA GLY 13 1HA GLY 13 2.301 -6.879 5.019 111 2HA GLY 13 2HA GLY 13 3.702 -7.870 5.479 112 H LEU 14 H LEU 14 2.318 -7.424 2.330 113 HA LEU 14 HA LEU 14 3.176 -6.721 0.329 114 1HB LEU 14 1HB LEU 14 2.845 -4.447 2.189 115 2HB LEU 14 2HB LEU 14 3.452 -4.139 0.542 116 HG LEU 14 HG LEU 14 1.598 -5.656 -0.333 117 1HD1 LEU 14 1HD2 LEU 14 0.504 -5.271 2.477 118 2HD1 LEU 14 2HD2 LEU 14 -0.417 -5.912 1.096 119 3HD1 LEU 14 3HD2 LEU 14 0.984 -6.809 1.725 120 1HD2 LEU 14 1HD1 LEU 14 0.731 -3.106 1.055 121 2HD2 LEU 14 2HD1 LEU 14 1.410 -3.254 -0.582 122 3HD2 LEU 14 3HD1 LEU 14 -0.179 -3.962 -0.210 123 H GLN 15 H GLN 15 4.958 -8.145 1.013 124 HA GLN 15 HA GLN 15 7.563 -6.789 1.353 125 1HB GLN 15 1HB GLN 15 6.731 -9.705 1.417 126 2HB GLN 15 2HB GLN 15 8.385 -9.127 1.736 127 1HG GLN 15 1HG GLN 15 5.974 -8.097 3.273 128 2HG GLN 15 2HG GLN 15 6.908 -9.519 3.794 129 1HE2 GLN 15 2HE2 GLN 15 6.557 -6.395 4.581 130 2HE2 GLN 15 1HE2 GLN 15 8.217 -5.999 4.992 131 H ALA 16 H ALA 16 6.412 -9.482 -0.879 132 HA ALA 16 HA ALA 16 8.471 -8.364 -2.722 133 1HB ALA 16 1HB ALA 16 9.388 -10.284 -1.502 134 2HB ALA 16 2HB ALA 16 8.024 -11.291 -2.049 135 3HB ALA 16 3HB ALA 16 9.191 -10.654 -3.233 136 H ARG 17 H ARG 17 5.410 -10.272 -2.471 137 HA ARG 17 HA ARG 17 5.027 -9.447 -5.272 138 1HB ARG 17 1HB ARG 17 6.317 -11.498 -5.529 139 2HB ARG 17 2HB ARG 17 5.040 -12.419 -4.693 140 1HG ARG 17 1HG ARG 17 4.839 -12.472 -7.219 141 2HG ARG 17 2HG ARG 17 3.413 -11.778 -6.415 142 1HD ARG 17 1HD ARG 17 4.365 -9.483 -6.786 143 2HD ARG 17 2HD ARG 17 5.698 -10.217 -7.688 144 HE ARG 17 HE ARG 17 4.216 -10.715 -9.453 145 1HH1 ARG 17 1HH2 ARG 17 2.451 -9.302 -6.678 146 2HH1 ARG 17 2HH2 ARG 17 1.113 -8.793 -7.692 147 1HH2 ARG 17 2HH1 ARG 17 2.355 -10.040 -10.691 148 2HH2 ARG 17 1HH1 ARG 17 1.041 -9.223 -9.855 149 HA PRO 18 HA PRO 18 0.775 -11.466 -3.748 150 1HB PRO 18 1HB PRO 18 0.710 -11.914 -1.044 151 2HB PRO 18 2HB PRO 18 1.338 -13.176 -2.157 152 1HG PRO 18 1HG PRO 18 2.979 -10.951 -0.857 153 2HG PRO 18 2HG PRO 18 3.307 -12.642 -0.555 154 1HD PRO 18 1HD PRO 18 4.656 -11.572 -2.443 155 2HD PRO 18 2HD PRO 18 3.706 -13.001 -2.980 156 H ALA 19 H ALA 19 2.941 -9.570 -1.781 157 HA ALA 19 HA ALA 19 1.487 -7.602 -0.569 158 1HB ALA 19 1HB ALA 19 4.051 -7.783 -2.198 159 2HB ALA 19 2HB ALA 19 3.754 -6.517 -0.955 160 3HB ALA 19 3HB ALA 19 3.847 -8.249 -0.505 161 H ALA 20 H ALA 20 2.791 -7.654 -3.913 162 HA ALA 20 HA ALA 20 1.468 -5.088 -4.704 163 1HB ALA 20 1HB ALA 20 3.027 -7.223 -6.258 164 2HB ALA 20 2HB ALA 20 2.494 -5.651 -6.899 165 3HB ALA 20 3HB ALA 20 3.731 -5.715 -5.617 166 H LEU 21 H LEU 21 0.983 -8.605 -4.817 167 HA LEU 21 HA LEU 21 -1.130 -8.719 -6.697 168 1HB LEU 21 1HB LEU 21 0.029 -10.569 -5.291 169 2HB LEU 21 2HB LEU 21 -1.165 -10.184 -4.041 170 HG LEU 21 HG LEU 21 -1.780 -11.035 -6.910 171 1HD1 LEU 21 1HD1 LEU 21 -0.827 -12.834 -5.505 172 2HD1 LEU 21 2HD1 LEU 21 -2.039 -12.496 -4.247 173 3HD1 LEU 21 3HD1 LEU 21 -2.553 -13.127 -5.831 174 1HD2 LEU 21 1HD2 LEU 21 -3.626 -10.605 -4.519 175 2HD2 LEU 21 2HD2 LEU 21 -3.524 -9.554 -5.953 176 3HD2 LEU 21 3HD2 LEU 21 -4.110 -11.225 -6.118 177 H PHE 22 H PHE 22 -1.168 -8.169 -3.205 178 HA PHE 22 HA PHE 22 -3.747 -7.345 -2.620 179 1HB PHE 22 1HB PHE 22 -2.012 -7.589 -0.957 180 2HB PHE 22 2HB PHE 22 -0.992 -6.404 -1.768 181 HD1 PHE 22 HD1 PHE 22 -3.189 -6.909 0.935 182 HD2 PHE 22 HD2 PHE 22 -1.773 -3.937 -1.830 183 HE1 PHE 22 HE1 PHE 22 -3.652 -5.133 2.604 184 HE2 PHE 22 HE2 PHE 22 -2.257 -2.162 -0.210 185 HZ PHE 22 HZ PHE 22 -3.209 -2.745 2.041 186 H VAL 23 H VAL 23 -1.048 -5.046 -3.419 187 HA VAL 23 HA VAL 23 -2.738 -2.840 -3.658 188 HB VAL 23 HB VAL 23 -0.902 -1.741 -4.718 189 1HG1 VAL 23 1HG1 VAL 23 -0.562 -2.098 -2.369 190 2HG1 VAL 23 2HG1 VAL 23 0.277 -3.637 -2.709 191 3HG1 VAL 23 3HG1 VAL 23 0.954 -2.089 -3.272 192 1HG2 VAL 23 1HG2 VAL 23 -0.685 -3.217 -6.452 193 2HG2 VAL 23 2HG2 VAL 23 0.913 -2.820 -5.776 194 3HG2 VAL 23 3HG2 VAL 23 0.119 -4.415 -5.429 195 H GLN 24 H GLN 24 -1.933 -5.255 -6.133 196 HA GLN 24 HA GLN 24 -2.846 -3.637 -8.353 197 1HB GLN 24 1HB GLN 24 -2.457 -5.612 -9.713 198 2HB GLN 24 2HB GLN 24 -1.047 -5.257 -8.687 199 1HG GLN 24 1HG GLN 24 -1.647 -6.992 -7.139 200 2HG GLN 24 2HG GLN 24 -3.207 -7.261 -7.932 201 1HE2 GLN 24 2HE2 GLN 24 -3.251 -8.234 -10.056 202 2HE2 GLN 24 1HE2 GLN 24 -1.919 -9.258 -10.558 203 H GLU 25 H GLU 25 -4.248 -6.254 -6.390 204 HA GLU 25 HA GLU 25 -6.628 -6.422 -8.066 205 1HB GLU 25 1HB GLU 25 -7.540 -7.730 -6.096 206 2HB GLU 25 2HB GLU 25 -6.050 -8.394 -6.792 207 1HG GLU 25 1HG GLU 25 -4.708 -7.391 -5.027 208 2HG GLU 25 2HG GLU 25 -6.130 -6.590 -4.345 209 H ALA 26 H ALA 26 -5.646 -4.793 -5.053 210 HA ALA 26 HA ALA 26 -8.025 -3.331 -4.537 211 1HB ALA 26 1HB ALA 26 -5.084 -2.562 -4.368 212 2HB ALA 26 2HB ALA 26 -6.406 -1.705 -3.543 213 3HB ALA 26 3HB ALA 26 -6.004 -3.383 -3.078 214 H ASN 27 H ASN 27 -5.088 -2.551 -6.368 215 HA ASN 27 HA ASN 27 -5.537 -0.167 -7.545 216 1HB ASN 27 1HB ASN 27 -3.876 -2.483 -7.837 217 2HB ASN 27 2HB ASN 27 -4.502 -2.164 -9.448 218 1HD2 ASN 27 2HD2 ASN 27 -2.513 -0.998 -6.822 219 2HD2 ASN 27 1HD2 ASN 27 -1.699 0.307 -7.673 220 H ARG 28 H ARG 28 -6.555 -3.368 -8.757 221 HA ARG 28 HA ARG 28 -7.437 -2.314 -11.302 222 1HB ARG 28 1HB ARG 28 -8.025 -4.940 -9.982 223 2HB ARG 28 2HB ARG 28 -8.515 -4.468 -11.637 224 1HG ARG 28 1HG ARG 28 -5.687 -4.374 -10.503 225 2HG ARG 28 2HG ARG 28 -6.261 -5.549 -11.699 226 1HD ARG 28 1HD ARG 28 -6.285 -3.989 -13.429 227 2HD ARG 28 2HD ARG 28 -6.538 -2.630 -12.327 228 HE ARG 28 HE ARG 28 -3.945 -4.012 -12.762 229 1HH1 ARG 28 2HH1 ARG 28 -5.832 -1.205 -11.576 230 2HH1 ARG 28 1HH1 ARG 28 -4.403 -0.337 -11.095 231 1HH2 ARG 28 1HH2 ARG 28 -2.100 -2.768 -12.098 232 2HH2 ARG 28 2HH2 ARG 28 -2.342 -1.199 -11.359 233 H PHE 29 H PHE 29 -8.908 -2.200 -8.173 234 HA PHE 29 HA PHE 29 -11.445 -1.719 -9.596 235 1HB PHE 29 1HB PHE 29 -10.775 -2.002 -6.671 236 2HB PHE 29 2HB PHE 29 -12.370 -1.486 -7.268 237 HD1 PHE 29 HD1 PHE 29 -10.933 -4.244 -5.979 238 HD2 PHE 29 HD2 PHE 29 -12.621 -3.096 -9.757 239 HE1 PHE 29 HE1 PHE 29 -11.487 -6.620 -6.459 240 HE2 PHE 29 HE2 PHE 29 -13.144 -5.462 -10.257 241 HZ PHE 29 HZ PHE 29 -12.596 -7.233 -8.594 242 H THR 30 H THR 30 -12.534 0.133 -9.187 243 HA THR 30 HA THR 30 -10.914 2.453 -9.874 244 HB THR 30 HB THR 30 -13.143 3.608 -9.972 245 HG1 THR 30 HG1 THR 30 -14.228 1.057 -9.332 246 1HG2 THR 30 1HG2 THR 30 -14.067 2.188 -11.792 247 2HG2 THR 30 2HG2 THR 30 -12.298 2.338 -11.916 248 3HG2 THR 30 3HG2 THR 30 -13.019 0.848 -11.270 249 H SER 31 H SER 31 -12.389 1.240 -6.977 250 HA SER 31 HA SER 31 -12.747 3.294 -5.289 251 1HB SER 31 1HB SER 31 -11.336 0.689 -4.656 252 2HB SER 31 2HB SER 31 -12.567 1.547 -3.691 253 HG SER 31 HG SER 31 -13.565 -0.161 -4.735 254 H ASP 32 H ASP 32 -11.649 4.611 -4.019 255 HA ASP 32 HA ASP 32 -8.758 4.909 -4.281 256 1HB ASP 32 1HB ASP 32 -10.766 6.018 -2.281 257 2HB ASP 32 2HB ASP 32 -9.079 6.543 -2.428 258 H VAL 33 H VAL 33 -8.170 2.756 -3.858 259 HA VAL 33 HA VAL 33 -9.053 1.346 -1.553 260 HB VAL 33 HB VAL 33 -6.725 0.857 -3.448 261 1HG1 VAL 33 1HG1 VAL 33 -8.173 -0.954 -1.459 262 2HG1 VAL 33 2HG1 VAL 33 -6.925 -1.483 -2.615 263 3HG1 VAL 33 3HG1 VAL 33 -6.508 -0.357 -1.303 264 1HG2 VAL 33 1HG2 VAL 33 -8.999 1.102 -4.419 265 2HG2 VAL 33 2HG2 VAL 33 -8.449 -0.590 -4.533 266 3HG2 VAL 33 3HG2 VAL 33 -9.622 -0.099 -3.273 267 H PHE 34 H PHE 34 -8.204 0.980 0.356 268 HA PHE 34 HA PHE 34 -5.785 2.513 1.079 269 1HB PHE 34 1HB PHE 34 -8.480 2.794 2.448 270 2HB PHE 34 2HB PHE 34 -6.944 3.381 3.104 271 HD1 PHE 34 HD1 PHE 34 -9.727 4.790 1.981 272 HD2 PHE 34 HD2 PHE 34 -5.626 4.453 0.718 273 HE1 PHE 34 HE1 PHE 34 -10.009 6.777 0.528 274 HE2 PHE 34 HE2 PHE 34 -5.912 6.463 -0.746 275 HZ PHE 34 HZ PHE 34 -8.102 7.635 -0.811 276 H LEU 35 H LEU 35 -4.803 1.876 3.037 277 HA LEU 35 HA LEU 35 -5.853 -0.671 4.171 278 1HB LEU 35 1HB LEU 35 -3.913 -1.207 2.683 279 2HB LEU 35 2HB LEU 35 -2.905 -0.076 3.631 280 HG LEU 35 HG LEU 35 -3.448 -1.361 5.697 281 1HD1 LEU 35 1HD1 LEU 35 -5.662 -2.179 4.927 282 2HD1 LEU 35 2HD1 LEU 35 -4.855 -3.233 3.742 283 3HD1 LEU 35 3HD1 LEU 35 -4.636 -3.522 5.486 284 1HD2 LEU 35 1HD2 LEU 35 -1.431 -1.956 4.389 285 2HD2 LEU 35 2HD2 LEU 35 -2.143 -3.381 5.180 286 3HD2 LEU 35 3HD2 LEU 35 -2.393 -3.113 3.439 287 H GLU 36 H GLU 36 -6.024 -0.478 6.348 288 HA GLU 36 HA GLU 36 -4.880 2.009 7.559 289 1HB GLU 36 1HB GLU 36 -7.260 0.455 8.586 290 2HB GLU 36 2HB GLU 36 -6.855 2.168 8.837 291 1HG GLU 36 1HG GLU 36 -7.269 2.586 6.419 292 2HG GLU 36 2HG GLU 36 -7.676 0.887 6.202 293 H LYS 37 H LYS 37 -2.945 1.173 8.582 294 HA LYS 37 HA LYS 37 -2.854 -1.441 9.878 295 1HB LYS 37 1HB LYS 37 -1.071 1.008 9.835 296 2HB LYS 37 2HB LYS 37 -0.805 -0.307 10.993 297 1HG LYS 37 1HG LYS 37 -0.650 -1.963 9.212 298 2HG LYS 37 2HG LYS 37 -0.824 -0.655 8.028 299 1HD LYS 37 1HD LYS 37 1.592 -1.223 8.419 300 2HD LYS 37 2HD LYS 37 1.224 0.425 8.983 301 1HE LYS 37 1HE LYS 37 0.798 -0.565 11.288 302 2HE LYS 37 2HE LYS 37 1.471 -2.096 10.685 303 1HZ LYS 37 1HZ LYS 37 2.869 0.494 10.742 304 2HZ LYS 37 2HZ LYS 37 3.124 -0.770 11.771 305 3HZ LYS 37 3HZ LYS 37 3.484 -0.923 10.167 306 H ASP 38 H ASP 38 -4.390 -1.741 11.438 307 HA ASP 38 HA ASP 38 -5.644 -1.379 13.301 308 1HB ASP 38 1HB ASP 38 -3.173 0.189 14.114 309 2HB ASP 38 2HB ASP 38 -4.529 -0.201 15.192 310 H GLY 39 H GLY 39 -5.843 0.496 10.962 311 1HA GLY 39 1HA GLY 39 -7.618 2.233 10.981 312 2HA GLY 39 2HA GLY 39 -6.902 2.807 12.508 313 H LYS 40 H LYS 40 -4.081 2.295 11.152 314 HA LYS 40 HA LYS 40 -3.827 5.036 10.212 315 1HB LYS 40 1HB LYS 40 -1.907 2.702 10.392 316 2HB LYS 40 2HB LYS 40 -1.430 4.386 10.032 317 1HG LYS 40 1HG LYS 40 -2.357 5.092 12.244 318 2HG LYS 40 2HG LYS 40 -2.868 3.410 12.537 319 1HD LYS 40 1HD LYS 40 0.000 4.404 12.237 320 2HD LYS 40 2HD LYS 40 -0.771 3.716 13.694 321 1HE LYS 40 1HE LYS 40 -1.282 1.647 12.325 322 2HE LYS 40 2HE LYS 40 -0.307 2.334 11.019 323 1HZ LYS 40 1HZ LYS 40 0.669 1.717 13.734 324 2HZ LYS 40 2HZ LYS 40 0.979 0.830 12.382 325 3HZ LYS 40 3HZ LYS 40 1.579 2.360 12.518 326 H LYS 41 H LYS 41 -5.293 4.853 8.523 327 HA LYS 41 HA LYS 41 -4.803 3.110 6.291 328 1HB LYS 41 1HB LYS 41 -6.989 3.435 6.444 329 2HB LYS 41 2HB LYS 41 -6.814 5.005 7.210 330 1HG LYS 41 1HG LYS 41 -6.277 4.649 4.259 331 2HG LYS 41 2HG LYS 41 -7.935 4.868 4.853 332 1HD LYS 41 1HD LYS 41 -7.386 6.970 5.917 333 2HD LYS 41 2HD LYS 41 -5.654 6.765 5.571 334 1HE LYS 41 1HE LYS 41 -7.775 6.927 3.390 335 2HE LYS 41 2HE LYS 41 -6.883 8.336 4.002 336 1HZ LYS 41 1HZ LYS 41 -5.673 5.949 2.814 337 2HZ LYS 41 2HZ LYS 41 -5.854 7.407 2.071 338 3HZ LYS 41 3HZ LYS 41 -4.854 7.268 3.380 339 H VAL 42 H VAL 42 -4.240 3.399 4.361 340 HA VAL 42 HA VAL 42 -3.157 5.946 3.260 341 HB VAL 42 HB VAL 42 -1.125 4.624 2.508 342 1HG1 VAL 42 1HG1 VAL 42 -1.038 6.214 4.375 343 2HG1 VAL 42 2HG1 VAL 42 -1.532 4.918 5.503 344 3HG1 VAL 42 3HG1 VAL 42 0.036 4.821 4.651 345 1HG2 VAL 42 1HG2 VAL 42 -2.151 2.389 2.847 346 2HG2 VAL 42 2HG2 VAL 42 -0.611 2.544 3.733 347 3HG2 VAL 42 3HG2 VAL 42 -2.164 2.665 4.604 348 H ASN 43 H ASN 43 -2.385 5.436 0.862 349 HA ASN 43 HA ASN 43 -4.635 4.149 -0.463 350 1HB ASN 43 1HB ASN 43 -3.571 6.189 -1.388 351 2HB ASN 43 2HB ASN 43 -2.042 5.300 -1.550 352 1HD2 ASN 43 2HD2 ASN 43 -5.386 4.028 -2.292 353 2HD2 ASN 43 1HD2 ASN 43 -5.070 3.959 -4.015 354 H ALA 44 H ALA 44 -4.749 2.211 -0.058 355 HA ALA 44 HA ALA 44 -2.962 0.244 0.564 356 1HB ALA 44 1HB ALA 44 -5.513 0.082 -1.091 357 2HB ALA 44 2HB ALA 44 -4.798 -1.300 -0.235 358 3HB ALA 44 3HB ALA 44 -5.452 0.089 0.677 359 H LYS 45 H LYS 45 -4.060 1.217 -2.637 360 HA LYS 45 HA LYS 45 -2.741 -1.017 -3.998 361 1HB LYS 45 1HB LYS 45 -3.515 0.169 -6.050 362 2HB LYS 45 2HB LYS 45 -4.820 -0.194 -4.902 363 1HG LYS 45 1HG LYS 45 -4.826 2.099 -4.093 364 2HG LYS 45 2HG LYS 45 -3.381 2.486 -5.053 365 1HD LYS 45 1HD LYS 45 -5.406 3.284 -6.235 366 2HD LYS 45 2HD LYS 45 -4.614 1.979 -7.139 367 1HE LYS 45 1HE LYS 45 -6.221 0.341 -6.144 368 2HE LYS 45 2HE LYS 45 -7.039 1.674 -5.306 369 1HZ LYS 45 1HZ LYS 45 -7.510 2.644 -7.434 370 2HZ LYS 45 2HZ LYS 45 -6.775 1.385 -8.220 371 3HZ LYS 45 3HZ LYS 45 -8.128 1.128 -7.341 372 H SER 46 H SER 46 -1.751 2.142 -2.925 373 HA SER 46 HA SER 46 0.443 2.082 -4.923 374 1HB SER 46 1HB SER 46 -1.098 4.108 -4.854 375 2HB SER 46 2HB SER 46 -0.433 4.448 -3.252 376 HG SER 46 HG SER 46 0.649 5.493 -5.112 377 H ILE 47 H ILE 47 2.192 3.571 -3.859 378 HA ILE 47 HA ILE 47 3.917 2.141 -2.227 379 HB ILE 47 HB ILE 47 4.762 3.974 -3.373 380 1HG1 ILE 47 1HG1 ILE 47 5.482 3.706 -0.847 381 2HG1 ILE 47 2HG1 ILE 47 6.058 5.089 -1.783 382 1HG2 ILE 47 1HG2 ILE 47 2.686 5.253 -3.667 383 2HG2 ILE 47 2HG2 ILE 47 2.811 5.826 -1.984 384 3HG2 ILE 47 3HG2 ILE 47 4.045 6.294 -3.176 385 1HD1 ILE 47 1HD1 ILE 47 4.165 6.473 -0.879 386 2HD1 ILE 47 2HD1 ILE 47 3.659 5.096 0.107 387 3HD1 ILE 47 3HD1 ILE 47 5.222 5.867 0.422 388 H MET 48 H MET 48 1.721 4.741 -1.091 389 HA MET 48 HA MET 48 2.723 4.362 1.530 390 1HB MET 48 1HB MET 48 1.612 6.434 0.625 391 2HB MET 48 2HB MET 48 0.047 5.619 0.777 392 1HG MET 48 1HG MET 48 0.495 5.342 3.218 393 2HG MET 48 2HG MET 48 2.041 6.179 3.016 394 1HE MET 48 1HE MET 48 1.186 8.371 0.864 395 2HE MET 48 2HE MET 48 0.840 9.762 1.922 396 3HE MET 48 3HE MET 48 2.246 8.719 2.256 397 H GLY 49 H GLY 49 0.096 2.689 -0.114 398 1HA GLY 49 1HA GLY 49 -0.775 1.409 2.358 399 2HA GLY 49 2HA GLY 49 -1.241 0.949 0.686 400 H LEU 50 H LEU 50 0.937 0.299 -0.628 401 HA LEU 50 HA LEU 50 1.838 -2.171 0.256 402 1HB LEU 50 1HB LEU 50 2.269 -0.345 -1.909 403 2HB LEU 50 2HB LEU 50 3.862 -0.825 -1.271 404 HG LEU 50 HG LEU 50 1.682 -2.769 -2.129 405 1HD1 LEU 50 1HD1 LEU 50 2.728 -1.569 -4.035 406 2HD1 LEU 50 2HD1 LEU 50 4.339 -2.027 -3.428 407 3HD1 LEU 50 3HD1 LEU 50 3.211 -3.281 -3.999 408 1HD2 LEU 50 1HD2 LEU 50 3.114 -3.570 -0.301 409 2HD2 LEU 50 2HD2 LEU 50 3.417 -4.476 -1.796 410 3HD2 LEU 50 3HD2 LEU 50 4.567 -3.220 -1.260 411 H MET 51 H MET 51 3.837 0.732 0.015 412 HA MET 51 HA MET 51 6.118 -0.546 1.183 413 1HB MET 51 1HB MET 51 6.217 1.200 -0.671 414 2HB MET 51 2HB MET 51 5.550 2.360 0.484 415 1HG MET 51 1HG MET 51 7.541 1.683 2.003 416 2HG MET 51 2HG MET 51 8.262 1.040 0.520 417 1HE MET 51 1HE MET 51 5.906 4.092 1.115 418 2HE MET 51 2HE MET 51 7.013 4.109 2.512 419 3HE MET 51 3HE MET 51 7.072 5.426 1.311 420 H SER 52 H SER 52 3.741 1.979 2.104 421 HA SER 52 HA SER 52 5.167 2.435 4.603 422 1HB SER 52 1HB SER 52 2.409 3.449 3.867 423 2HB SER 52 2HB SER 52 3.529 4.125 5.068 424 HG SER 52 HG SER 52 4.988 4.470 3.249 425 H LEU 53 H LEU 53 1.713 1.508 4.133 426 HA LEU 53 HA LEU 53 1.639 0.645 6.909 427 1HB LEU 53 1HB LEU 53 -0.357 0.877 4.703 428 2HB LEU 53 2HB LEU 53 -0.689 -0.058 6.177 429 HG LEU 53 HG LEU 53 -1.394 2.287 6.503 430 1HD1 LEU 53 1HD1 LEU 53 -0.387 1.146 8.462 431 2HD1 LEU 53 2HD1 LEU 53 1.211 1.773 7.979 432 3HD1 LEU 53 3HD1 LEU 53 -0.075 2.900 8.474 433 1HD2 LEU 53 1HD2 LEU 53 0.164 3.219 4.791 434 2HD2 LEU 53 2HD2 LEU 53 0.223 4.129 6.330 435 3HD2 LEU 53 3HD2 LEU 53 1.515 2.968 5.924 436 H ALA 54 H ALA 54 0.500 -1.029 4.050 437 HA ALA 54 HA ALA 54 -0.037 -3.550 5.043 438 1HB ALA 54 1HB ALA 54 -0.748 -2.653 2.848 439 2HB ALA 54 2HB ALA 54 0.937 -2.705 2.287 440 3HB ALA 54 3HB ALA 54 0.075 -4.216 2.658 441 H VAL 55 H VAL 55 3.053 -2.277 3.855 442 HA VAL 55 HA VAL 55 4.404 -4.725 3.732 443 HB VAL 55 HB VAL 55 5.152 -2.380 2.960 444 1HG1 VAL 55 1HG1 VAL 55 4.894 -1.293 5.192 445 2HG1 VAL 55 2HG1 VAL 55 6.211 -2.312 5.823 446 3HG1 VAL 55 3HG1 VAL 55 6.539 -1.113 4.548 447 1HG2 VAL 55 1HG2 VAL 55 7.131 -4.174 4.417 448 2HG2 VAL 55 2HG2 VAL 55 6.557 -4.377 2.744 449 3HG2 VAL 55 3HG2 VAL 55 7.547 -2.961 3.179 450 H SER 56 H SER 56 3.229 -3.219 6.587 451 HA SER 56 HA SER 56 5.245 -4.447 8.287 452 1HB SER 56 1HB SER 56 2.533 -3.376 9.126 453 2HB SER 56 2HB SER 56 4.013 -3.480 10.090 454 HG SER 56 HG SER 56 3.508 -1.772 7.854 455 H THR 57 H THR 57 4.734 -6.582 6.954 456 HA THR 57 HA THR 57 2.656 -8.242 7.177 457 HB THR 57 HB THR 57 5.403 -9.136 8.076 458 HG1 THR 57 HG1 THR 57 4.906 -9.240 5.380 459 1HG2 THR 57 1HG2 THR 57 4.745 -11.167 6.785 460 2HG2 THR 57 2HG2 THR 57 3.582 -10.796 8.080 461 3HG2 THR 57 3HG2 THR 57 3.189 -10.394 6.396 462 H GLY 58 H GLY 58 1.256 -8.653 8.732 463 1HA GLY 58 1HA GLY 58 0.850 -9.905 10.819 464 2HA GLY 58 2HA GLY 58 2.280 -9.112 11.504 465 H THR 59 H THR 59 1.002 -6.554 9.927 466 HA THR 59 HA THR 59 -0.238 -5.615 12.413 467 HB THR 59 HB THR 59 -0.161 -4.177 9.733 468 HG1 THR 59 HG1 THR 59 1.951 -4.822 10.507 469 1HG2 THR 59 1HG2 THR 59 -0.292 -2.171 11.152 470 2HG2 THR 59 2HG2 THR 59 -1.667 -3.253 11.470 471 3HG2 THR 59 3HG2 THR 59 -0.303 -3.188 12.610 472 H GLU 60 H GLU 60 -2.443 -5.584 12.829 473 HA GLU 60 HA GLU 60 -4.178 -6.686 10.734 474 1HB GLU 60 1HB GLU 60 -4.972 -5.554 13.447 475 2HB GLU 60 2HB GLU 60 -5.952 -6.555 12.338 476 1HG GLU 60 1HG GLU 60 -4.251 -8.369 12.500 477 2HG GLU 60 2HG GLU 60 -3.377 -7.418 13.720 478 H VAL 61 H VAL 61 -4.469 -5.442 9.077 479 HA VAL 61 HA VAL 61 -4.927 -2.536 9.521 480 HB VAL 61 HB VAL 61 -3.618 -2.085 7.492 481 1HG1 VAL 61 1HG1 VAL 61 -2.395 -2.347 9.686 482 2HG1 VAL 61 2HG1 VAL 61 -2.201 -4.077 9.326 483 3HG1 VAL 61 3HG1 VAL 61 -1.407 -2.863 8.295 484 1HG2 VAL 61 1HG2 VAL 61 -4.137 -4.237 6.327 485 2HG2 VAL 61 2HG2 VAL 61 -2.381 -3.904 6.409 486 3HG2 VAL 61 3HG2 VAL 61 -3.120 -5.085 7.527 487 H THR 62 H THR 62 -6.649 -1.665 8.599 488 HA THR 62 HA THR 62 -8.597 -3.426 7.517 489 HB THR 62 HB THR 62 -8.982 -0.495 7.218 490 HG1 THR 62 HG1 THR 62 -8.428 -1.631 9.764 491 1HG2 THR 62 1HG2 THR 62 -11.030 -1.030 8.529 492 2HG2 THR 62 2HG2 THR 62 -10.861 -2.083 7.112 493 3HG2 THR 62 3HG2 THR 62 -10.454 -2.702 8.733 494 H LEU 63 H LEU 63 -8.855 -4.082 5.500 495 HA LEU 63 HA LEU 63 -7.561 -2.649 3.287 496 1HB LEU 63 1HB LEU 63 -8.834 -5.331 3.790 497 2HB LEU 63 2HB LEU 63 -8.932 -4.671 2.154 498 HG LEU 63 HG LEU 63 -6.937 -6.011 2.247 499 1HD1 LEU 63 1HD2 LEU 63 -6.819 -3.836 1.045 500 2HD1 LEU 63 2HD2 LEU 63 -6.219 -3.061 2.529 501 3HD1 LEU 63 3HD2 LEU 63 -5.238 -4.302 1.713 502 1HD2 LEU 63 1HD1 LEU 63 -6.195 -4.361 4.693 503 2HD2 LEU 63 2HD1 LEU 63 -6.671 -6.072 4.689 504 3HD2 LEU 63 3HD1 LEU 63 -5.151 -5.573 3.910 505 H ILE 64 H ILE 64 -8.566 -0.940 2.639 506 HA ILE 64 HA ILE 64 -11.520 -0.763 2.363 507 HB ILE 64 HB ILE 64 -9.244 1.268 2.357 508 1HG1 ILE 64 1HG1 ILE 64 -11.507 0.914 4.355 509 2HG1 ILE 64 2HG1 ILE 64 -9.816 0.415 4.612 510 1HG2 ILE 64 1HG2 ILE 64 -11.044 1.991 0.852 511 2HG2 ILE 64 2HG2 ILE 64 -12.239 1.737 2.149 512 3HG2 ILE 64 3HG2 ILE 64 -10.997 3.007 2.313 513 1HD1 ILE 64 1HD1 ILE 64 -10.721 3.260 3.986 514 2HD1 ILE 64 2HD1 ILE 64 -10.216 2.658 5.587 515 3HD1 ILE 64 3HD1 ILE 64 -9.041 2.727 4.252 516 H ALA 65 H ALA 65 -12.380 -0.058 0.426 517 HA ALA 65 HA ALA 65 -10.570 0.788 -1.734 518 1HB ALA 65 1HB ALA 65 -12.647 -1.409 -2.199 519 2HB ALA 65 2HB ALA 65 -11.705 -0.604 -3.470 520 3HB ALA 65 3HB ALA 65 -10.882 -1.638 -2.274 521 H GLN 66 H GLN 66 -11.406 2.882 -1.258 522 HA GLN 66 HA GLN 66 -14.345 2.952 -1.272 523 1HB GLN 66 1HB GLN 66 -14.127 5.203 -0.432 524 2HB GLN 66 2HB GLN 66 -12.984 4.154 0.440 525 1HG GLN 66 1HG GLN 66 -11.107 5.100 -0.602 526 2HG GLN 66 2HG GLN 66 -12.074 5.638 -1.992 527 1HE2 GLN 66 2HE2 GLN 66 -11.597 6.332 1.534 528 2HE2 GLN 66 1HE2 GLN 66 -12.062 8.015 1.364 529 H GLY 67 H GLY 67 -14.493 2.185 -3.419 530 1HA GLY 67 1HA GLY 67 -14.865 4.501 -5.217 531 2HA GLY 67 2HA GLY 67 -13.750 3.243 -5.778 532 H GLU 68 H GLU 68 -15.164 2.911 -7.601 533 HA GLU 68 HA GLU 68 -17.933 2.310 -7.166 534 1HB GLU 68 1HB GLU 68 -16.381 1.684 -9.672 535 2HB GLU 68 2HB GLU 68 -18.092 2.129 -9.489 536 1HG GLU 68 1HG GLU 68 -15.638 3.887 -9.123 537 2HG GLU 68 2HG GLU 68 -16.874 4.035 -10.387 538 H ASP 69 H ASP 69 -15.072 0.316 -6.807 539 HA ASP 69 HA ASP 69 -16.784 -2.120 -7.104 540 1HB ASP 69 1HB ASP 69 -13.803 -2.052 -7.114 541 2HB ASP 69 2HB ASP 69 -14.882 -3.356 -7.591 542 H GLU 70 H GLU 70 -16.358 0.097 -4.922 543 HA GLU 70 HA GLU 70 -14.698 -0.112 -3.057 544 1HB GLU 70 1HB GLU 70 -16.804 1.200 -3.113 545 2HB GLU 70 2HB GLU 70 -17.692 -0.273 -2.684 546 1HG GLU 70 1HG GLU 70 -15.988 -0.245 -0.611 547 2HG GLU 70 2HG GLU 70 -16.043 1.503 -0.956 548 H GLN 71 H GLN 71 -17.550 -1.921 -2.003 549 HA GLN 71 HA GLN 71 -16.219 -3.502 -0.214 550 1HB GLN 71 1HB GLN 71 -18.643 -3.202 -0.326 551 2HB GLN 71 2HB GLN 71 -18.719 -4.227 -1.775 552 1HG GLN 71 1HG GLN 71 -19.340 -5.443 0.298 553 2HG GLN 71 2HG GLN 71 -17.924 -6.152 -0.498 554 1HE2 GLN 71 2HE2 GLN 71 -15.862 -5.979 0.486 555 2HE2 GLN 71 1HE2 GLN 71 -15.737 -5.630 2.205 556 H GLU 72 H GLU 72 -16.459 -4.141 -3.710 557 HA GLU 72 HA GLU 72 -15.749 -6.940 -3.689 558 1HB GLU 72 1HB GLU 72 -16.758 -5.982 -5.659 559 2HB GLU 72 2HB GLU 72 -15.697 -4.555 -5.558 560 1HG GLU 72 1HG GLU 72 -14.925 -5.746 -7.400 561 2HG GLU 72 2HG GLU 72 -13.739 -6.042 -6.127 562 H ALA 73 H ALA 73 -14.024 -3.879 -4.214 563 HA ALA 73 HA ALA 73 -11.447 -4.941 -4.690 564 1HB ALA 73 1HB ALA 73 -12.628 -2.283 -3.793 565 2HB ALA 73 2HB ALA 73 -10.977 -2.460 -4.473 566 3HB ALA 73 3HB ALA 73 -12.423 -2.826 -5.458 567 H LEU 74 H LEU 74 -12.973 -3.454 -1.817 568 HA LEU 74 HA LEU 74 -10.631 -3.794 -0.207 569 1HB LEU 74 1HB LEU 74 -12.049 -3.030 1.623 570 2HB LEU 74 2HB LEU 74 -12.271 -2.080 0.130 571 HG LEU 74 HG LEU 74 -14.221 -4.073 -0.079 572 1HD1 LEU 74 1HD1 LEU 74 -14.093 -2.826 2.707 573 2HD1 LEU 74 2HD1 LEU 74 -15.450 -3.773 2.050 574 3HD1 LEU 74 3HD1 LEU 74 -13.874 -4.561 2.338 575 1HD2 LEU 74 1HD2 LEU 74 -14.270 -1.644 -0.722 576 2HD2 LEU 74 2HD2 LEU 74 -15.694 -2.084 0.235 577 3HD2 LEU 74 3HD2 LEU 74 -14.351 -1.191 0.989 578 H GLU 75 H GLU 75 -13.566 -5.881 -0.599 579 HA GLU 75 HA GLU 75 -12.715 -7.613 1.522 580 1HB GLU 75 1HB GLU 75 -14.364 -9.224 0.660 581 2HB GLU 75 2HB GLU 75 -15.017 -7.600 0.935 582 1HG GLU 75 1HG GLU 75 -15.985 -8.147 -1.074 583 2HG GLU 75 2HG GLU 75 -14.558 -7.256 -1.616 584 H LYS 76 H LYS 76 -12.163 -7.793 -2.067 585 HA LYS 76 HA LYS 76 -10.843 -10.314 -1.940 586 1HB LYS 76 1HB LYS 76 -9.430 -9.334 -3.881 587 2HB LYS 76 2HB LYS 76 -11.163 -9.615 -4.130 588 1HG LYS 76 1HG LYS 76 -11.695 -7.383 -4.157 589 2HG LYS 76 2HG LYS 76 -10.317 -6.900 -3.164 590 1HD LYS 76 1HD LYS 76 -10.162 -6.200 -5.588 591 2HD LYS 76 2HD LYS 76 -8.772 -7.042 -4.913 592 1HE LYS 76 1HE LYS 76 -9.576 -7.667 -7.298 593 2HE LYS 76 2HE LYS 76 -9.087 -8.947 -6.170 594 1HZ LYS 76 1HZ LYS 76 -11.891 -8.215 -6.692 595 2HZ LYS 76 2HZ LYS 76 -11.088 -9.510 -7.300 596 3HZ LYS 76 3HZ LYS 76 -11.353 -9.387 -5.685 597 H LEU 77 H LEU 77 -9.623 -7.029 -1.383 598 HA LEU 77 HA LEU 77 -6.895 -7.747 -0.929 599 1HB LEU 77 1HB LEU 77 -8.758 -5.471 -0.270 600 2HB LEU 77 2HB LEU 77 -7.129 -5.505 0.457 601 HG LEU 77 HG LEU 77 -7.434 -4.301 -1.885 602 1HD1 LEU 77 1HD1 LEU 77 -5.332 -4.765 -0.661 603 2HD1 LEU 77 2HD1 LEU 77 -5.342 -6.428 -1.321 604 3HD1 LEU 77 3HD1 LEU 77 -5.150 -5.038 -2.421 605 1HD2 LEU 77 1HD2 LEU 77 -7.068 -7.245 -2.623 606 2HD2 LEU 77 2HD2 LEU 77 -8.503 -6.290 -3.041 607 3HD2 LEU 77 3HD2 LEU 77 -6.910 -5.889 -3.754 608 H ALA 78 H ALA 78 -9.433 -6.943 1.573 609 HA ALA 78 HA ALA 78 -7.712 -7.725 3.689 610 1HB ALA 78 1HB ALA 78 -9.674 -6.327 4.087 611 2HB ALA 78 2HB ALA 78 -10.739 -7.708 3.685 612 3HB ALA 78 3HB ALA 78 -9.679 -7.767 5.114 613 H ALA 79 H ALA 79 -9.728 -9.741 1.563 614 HA ALA 79 HA ALA 79 -9.448 -12.073 3.254 615 1HB ALA 79 1HB ALA 79 -11.071 -11.829 1.334 616 2HB ALA 79 2HB ALA 79 -9.657 -11.847 0.229 617 3HB ALA 79 3HB ALA 79 -10.038 -13.284 1.217 618 H TYR 80 H TYR 80 -7.713 -10.808 0.333 619 HA TYR 80 HA TYR 80 -6.009 -13.071 0.146 620 1HB TYR 80 1HB TYR 80 -6.684 -11.513 -1.644 621 2HB TYR 80 2HB TYR 80 -5.607 -10.283 -0.955 622 HD1 TYR 80 HD1 TYR 80 -5.470 -13.940 -1.757 623 HD2 TYR 80 HD2 TYR 80 -3.445 -10.160 -1.721 624 HE1 TYR 80 HE1 TYR 80 -3.304 -15.131 -1.823 625 HE2 TYR 80 HE2 TYR 80 -1.236 -11.352 -1.856 626 HH TYR 80 HH TYR 80 -1.087 -14.906 -1.496 627 H VAL 81 H VAL 81 -5.443 -9.846 1.436 628 HA VAL 81 HA VAL 81 -2.824 -9.670 2.150 629 HB VAL 81 HB VAL 81 -3.711 -8.467 4.205 630 1HG1 VAL 81 1HG1 VAL 81 -5.182 -7.955 1.608 631 2HG1 VAL 81 2HG1 VAL 81 -5.123 -6.835 2.996 632 3HG1 VAL 81 3HG1 VAL 81 -3.621 -7.243 2.118 633 1HG2 VAL 81 1HG2 VAL 81 -6.342 -9.586 3.120 634 2HG2 VAL 81 2HG2 VAL 81 -5.563 -10.037 4.646 635 3HG2 VAL 81 3HG2 VAL 81 -6.198 -8.398 4.439 636 H GLN 82 H GLN 82 -5.280 -11.620 3.882 637 HA GLN 82 HA GLN 82 -3.156 -12.260 5.855 638 1HB GLN 82 1HB GLN 82 -4.977 -12.127 7.514 639 2HB GLN 82 2HB GLN 82 -4.932 -10.683 6.498 640 1HG GLN 82 1HG GLN 82 -6.853 -11.621 5.216 641 2HG GLN 82 2HG GLN 82 -6.722 -13.113 6.126 642 1HE2 GLN 82 2HE2 GLN 82 -8.622 -10.802 5.915 643 2HE2 GLN 82 1HE2 GLN 82 -9.081 -10.281 7.528 644 H GLU 83 H GLU 83 -5.462 -13.666 3.643 645 HA GLU 83 HA GLU 83 -6.087 -16.007 5.078 646 1HB GLU 83 1HB GLU 83 -7.249 -16.577 3.035 647 2HB GLU 83 2HB GLU 83 -7.377 -14.814 3.350 648 1HG GLU 83 1HG GLU 83 -5.481 -14.433 1.775 649 2HG GLU 83 2HG GLU 83 -5.481 -16.169 1.392 650 H GLU 84 H GLU 84 -3.072 -15.903 4.895 651 HA GLU 84 HA GLU 84 -2.649 -18.613 4.687 652 1HB GLU 84 1HB GLU 84 -1.336 -18.881 2.650 653 2HB GLU 84 2HB GLU 84 -2.995 -18.386 2.302 654 1HG GLU 84 1HG GLU 84 -2.186 -16.031 1.935 655 2HG GLU 84 2HG GLU 84 -0.531 -16.614 2.172 656 H VAL 85 H VAL 85 0.144 -17.565 3.418 657 HA VAL 85 HA VAL 85 1.195 -15.816 5.559 658 HB VAL 85 HB VAL 85 2.680 -18.424 4.883 659 1HG1 VAL 85 1HG1 VAL 85 3.087 -16.516 7.293 660 2HG1 VAL 85 2HG1 VAL 85 3.996 -18.018 6.990 661 3HG1 VAL 85 3HG1 VAL 85 4.161 -16.668 5.882 662 1HG2 VAL 85 1HG2 VAL 85 0.590 -19.166 6.110 663 2HG2 VAL 85 2HG2 VAL 85 2.056 -19.469 7.049 664 3HG2 VAL 85 3HG2 VAL 85 1.004 -18.093 7.469 Start of MODEL 7 1 1H VAL 2 1H VAL 2 -19.016 3.243 0.291 2 2H VAL 2 2H VAL 2 -18.494 4.840 0.369 3 3H VAL 2 3H VAL 2 -19.956 4.469 -0.374 4 HA VAL 2 HA VAL 2 -18.830 3.238 -2.079 5 HB VAL 2 HB VAL 2 -17.735 6.051 -1.696 6 1HG1 VAL 2 1HG2 VAL 2 -16.419 4.699 -3.333 7 2HG1 VAL 2 2HG2 VAL 2 -17.917 4.293 -4.196 8 3HG1 VAL 2 3HG2 VAL 2 -17.352 5.980 -4.140 9 1HG2 VAL 2 1HG1 VAL 2 -20.108 4.962 -3.270 10 2HG2 VAL 2 2HG1 VAL 2 -20.207 5.928 -1.778 11 3HG2 VAL 2 3HG1 VAL 2 -19.559 6.653 -3.267 12 H GLN 3 H GLN 3 -16.478 5.098 -0.087 13 HA GLN 3 HA GLN 3 -14.347 3.157 -0.429 14 1HB GLN 3 1HB GLN 3 -14.241 5.648 0.450 15 2HB GLN 3 2HB GLN 3 -14.739 4.907 1.997 16 1HG GLN 3 1HG GLN 3 -12.778 3.466 1.970 17 2HG GLN 3 2HG GLN 3 -12.241 4.152 0.434 18 1HE2 GLN 3 2HE2 GLN 3 -12.681 6.941 0.808 19 2HE2 GLN 3 1HE2 GLN 3 -11.722 7.456 2.176 20 H GLN 4 H GLN 4 -14.615 1.151 0.261 21 HA GLN 4 HA GLN 4 -15.913 0.650 2.900 22 1HB GLN 4 1HB GLN 4 -15.905 -1.365 0.664 23 2HB GLN 4 2HB GLN 4 -16.990 -1.312 2.052 24 1HG GLN 4 1HG GLN 4 -17.012 0.860 -0.080 25 2HG GLN 4 2HG GLN 4 -17.881 -0.664 -0.316 26 1HE2 GLN 4 2HE2 GLN 4 -19.020 -1.329 1.966 27 2HE2 GLN 4 1HE2 GLN 4 -20.102 -0.075 2.552 28 H LYS 5 H LYS 5 -14.784 -1.199 4.089 29 HA LYS 5 HA LYS 5 -12.402 -2.243 2.749 30 1HB LYS 5 1HB LYS 5 -11.072 -1.630 4.845 31 2HB LYS 5 2HB LYS 5 -11.406 -0.377 3.636 32 1HG LYS 5 1HG LYS 5 -11.694 0.528 5.876 33 2HG LYS 5 2HG LYS 5 -13.241 0.510 5.010 34 1HD LYS 5 1HD LYS 5 -13.930 -1.528 6.209 35 2HD LYS 5 2HD LYS 5 -12.352 -1.637 7.005 36 1HE LYS 5 1HE LYS 5 -14.221 0.755 7.285 37 2HE LYS 5 2HE LYS 5 -14.121 -0.592 8.445 38 1HZ LYS 5 1HZ LYS 5 -11.849 1.117 7.704 39 2HZ LYS 5 2HZ LYS 5 -12.751 1.281 9.076 40 3HZ LYS 5 3HZ LYS 5 -11.863 -0.084 8.829 41 H VAL 6 H VAL 6 -11.382 -3.884 3.840 42 HA VAL 6 HA VAL 6 -12.994 -5.285 5.918 43 HB VAL 6 HB VAL 6 -11.494 -6.386 3.506 44 1HG1 VAL 6 1HG1 VAL 6 -11.119 -7.792 5.495 45 2HG1 VAL 6 2HG1 VAL 6 -12.879 -7.895 5.763 46 3HG1 VAL 6 3HG1 VAL 6 -12.153 -8.619 4.307 47 1HG2 VAL 6 1HG2 VAL 6 -13.749 -5.489 3.043 48 2HG2 VAL 6 2HG2 VAL 6 -13.719 -7.260 2.858 49 3HG2 VAL 6 3HG2 VAL 6 -14.426 -6.528 4.315 50 H GLU 7 H GLU 7 -11.706 -5.549 7.791 51 HA GLU 7 HA GLU 7 -8.941 -4.752 7.408 52 1HB GLU 7 1HB GLU 7 -10.357 -5.853 9.906 53 2HB GLU 7 2HB GLU 7 -8.720 -5.184 9.876 54 1HG GLU 7 1HG GLU 7 -10.115 -3.466 10.725 55 2HG GLU 7 2HG GLU 7 -9.723 -2.984 9.067 56 H VAL 8 H VAL 8 -7.039 -5.913 7.737 57 HA VAL 8 HA VAL 8 -7.440 -8.853 7.749 58 HB VAL 8 HB VAL 8 -6.623 -9.091 5.646 59 1HG1 VAL 8 1HG2 VAL 8 -8.279 -7.315 5.256 60 2HG1 VAL 8 2HG2 VAL 8 -7.019 -6.083 5.474 61 3HG1 VAL 8 3HG2 VAL 8 -6.929 -7.217 4.098 62 1HG2 VAL 8 1HG1 VAL 8 -4.695 -6.805 6.161 63 2HG2 VAL 8 2HG1 VAL 8 -4.337 -8.544 6.311 64 3HG2 VAL 8 3HG1 VAL 8 -4.696 -7.848 4.714 65 H ARG 9 H ARG 9 -5.649 -10.040 8.588 66 HA ARG 9 HA ARG 9 -3.492 -8.339 9.749 67 1HB ARG 9 1HB ARG 9 -4.021 -10.177 11.169 68 2HB ARG 9 2HB ARG 9 -3.982 -11.351 9.820 69 1HG ARG 9 1HG ARG 9 -1.550 -9.701 10.440 70 2HG ARG 9 2HG ARG 9 -1.902 -11.114 11.442 71 1HD ARG 9 1HD ARG 9 -1.823 -11.272 8.392 72 2HD ARG 9 2HD ARG 9 -0.406 -11.567 9.421 73 HE ARG 9 HE ARG 9 -1.443 -13.480 10.338 74 1HH1 ARG 9 2HH1 ARG 9 -3.383 -12.025 7.737 75 2HH1 ARG 9 1HH1 ARG 9 -4.218 -13.512 7.361 76 1HH2 ARG 9 1HH2 ARG 9 -2.597 -15.392 9.875 77 2HH2 ARG 9 2HH2 ARG 9 -3.816 -15.408 8.630 78 H LEU 10 H LEU 10 -1.909 -7.696 8.406 79 HA LEU 10 HA LEU 10 -1.891 -8.399 5.701 80 1HB LEU 10 1HB LEU 10 -0.907 -6.385 7.087 81 2HB LEU 10 2HB LEU 10 0.571 -7.367 7.076 82 HG LEU 10 HG LEU 10 0.972 -6.270 5.139 83 1HD1 LEU 10 1HD2 LEU 10 0.492 -8.551 4.364 84 2HD1 LEU 10 2HD2 LEU 10 -1.202 -8.092 4.035 85 3HD1 LEU 10 3HD2 LEU 10 0.127 -7.337 3.117 86 1HD2 LEU 10 1HD1 LEU 10 -0.936 -4.724 5.533 87 2HD2 LEU 10 2HD1 LEU 10 -0.740 -5.109 3.809 88 3HD2 LEU 10 3HD1 LEU 10 -2.028 -5.897 4.755 89 H LYS 11 H LYS 11 -1.861 -10.760 5.688 90 HA LYS 11 HA LYS 11 0.411 -12.290 6.561 91 1HB LYS 11 1HB LYS 11 -1.660 -13.397 6.372 92 2HB LYS 11 2HB LYS 11 -1.993 -12.743 4.757 93 1HG LYS 11 1HG LYS 11 0.307 -14.633 5.199 94 2HG LYS 11 2HG LYS 11 -1.357 -15.199 4.907 95 1HD LYS 11 1HD LYS 11 0.298 -13.423 3.064 96 2HD LYS 11 2HD LYS 11 -0.320 -15.050 2.722 97 1HE LYS 11 1HE LYS 11 -2.653 -14.178 2.997 98 2HE LYS 11 2HE LYS 11 -1.971 -12.543 3.281 99 1HZ LYS 11 1HZ LYS 11 -1.446 -14.080 0.860 100 2HZ LYS 11 2HZ LYS 11 -2.748 -13.076 0.993 101 3HZ LYS 11 3HZ LYS 11 -1.234 -12.466 1.123 102 H THR 12 H THR 12 -0.285 -10.469 3.701 103 HA THR 12 HA THR 12 1.793 -11.644 2.028 104 HB THR 12 HB THR 12 0.367 -8.987 1.709 105 HG1 THR 12 HG1 THR 12 -1.069 -10.769 2.063 106 1HG2 THR 12 1HG2 THR 12 0.711 -9.465 -0.696 107 2HG2 THR 12 2HG2 THR 12 2.251 -9.403 0.203 108 3HG2 THR 12 3HG2 THR 12 1.554 -10.972 -0.263 109 H GLY 13 H GLY 13 1.707 -9.279 4.522 110 1HA GLY 13 1HA GLY 13 2.663 -7.236 4.979 111 2HA GLY 13 2HA GLY 13 4.105 -8.248 4.949 112 H LEU 14 H LEU 14 2.121 -7.388 2.252 113 HA LEU 14 HA LEU 14 2.723 -6.796 0.125 114 1HB LEU 14 1HB LEU 14 2.446 -4.429 1.833 115 2HB LEU 14 2HB LEU 14 3.253 -4.197 0.256 116 HG LEU 14 HG LEU 14 1.492 -5.787 -0.732 117 1HD1 LEU 14 1HD1 LEU 14 0.038 -5.050 1.827 118 2HD1 LEU 14 2HD1 LEU 14 -0.699 -5.814 0.401 119 3HD1 LEU 14 3HD1 LEU 14 0.554 -6.680 1.324 120 1HD2 LEU 14 1HD2 LEU 14 0.622 -3.043 0.222 121 2HD2 LEU 14 2HD2 LEU 14 1.449 -3.439 -1.299 122 3HD2 LEU 14 3HD2 LEU 14 -0.209 -4.004 -1.011 123 H GLN 15 H GLN 15 4.707 -8.253 0.860 124 HA GLN 15 HA GLN 15 7.259 -7.105 0.884 125 1HB GLN 15 1HB GLN 15 6.578 -9.818 -0.302 126 2HB GLN 15 2HB GLN 15 8.149 -9.269 0.321 127 1HG GLN 15 1HG GLN 15 5.592 -9.666 1.908 128 2HG GLN 15 2HG GLN 15 7.065 -10.640 2.003 129 1HE2 GLN 15 2HE2 GLN 15 5.850 -9.559 4.192 130 2HE2 GLN 15 1HE2 GLN 15 6.817 -8.248 4.874 131 H ALA 16 H ALA 16 5.973 -8.784 -2.050 132 HA ALA 16 HA ALA 16 6.879 -6.634 -3.756 133 1HB ALA 16 1HB ALA 16 9.083 -7.445 -3.041 134 2HB ALA 16 2HB ALA 16 8.680 -9.077 -3.637 135 3HB ALA 16 3HB ALA 16 8.818 -7.724 -4.780 136 H ARG 17 H ARG 17 6.077 -10.106 -3.511 137 HA ARG 17 HA ARG 17 5.219 -9.926 -6.343 138 1HB ARG 17 1HB ARG 17 5.767 -12.433 -4.723 139 2HB ARG 17 2HB ARG 17 5.365 -12.337 -6.454 140 1HG ARG 17 1HG ARG 17 7.804 -11.191 -5.050 141 2HG ARG 17 2HG ARG 17 7.789 -12.481 -6.273 142 1HD ARG 17 1HD ARG 17 7.048 -10.867 -7.982 143 2HD ARG 17 2HD ARG 17 6.875 -9.606 -6.745 144 HE ARG 17 HE ARG 17 9.506 -10.877 -7.344 145 1HH1 ARG 17 2HH1 ARG 17 7.497 -7.958 -6.929 146 2HH1 ARG 17 1HH1 ARG 17 8.837 -6.871 -7.145 147 1HH2 ARG 17 1HH2 ARG 17 11.248 -9.434 -7.519 148 2HH2 ARG 17 2HH2 ARG 17 11.001 -7.712 -7.423 149 HA PRO 18 HA PRO 18 1.267 -11.909 -4.355 150 1HB PRO 18 1HB PRO 18 1.080 -11.890 -1.624 151 2HB PRO 18 2HB PRO 18 1.938 -13.222 -2.462 152 1HG PRO 18 1HG PRO 18 3.179 -10.667 -1.373 153 2HG PRO 18 2HG PRO 18 3.663 -12.296 -0.893 154 1HD PRO 18 1HD PRO 18 5.025 -11.153 -2.872 155 2HD PRO 18 2HD PRO 18 4.411 -12.801 -3.171 156 H ALA 19 H ALA 19 2.975 -9.547 -2.402 157 HA ALA 19 HA ALA 19 0.977 -7.682 -1.778 158 1HB ALA 19 1HB ALA 19 3.907 -7.497 -2.504 159 2HB ALA 19 2HB ALA 19 3.008 -6.244 -1.586 160 3HB ALA 19 3HB ALA 19 3.272 -7.877 -0.879 161 H ALA 20 H ALA 20 3.134 -8.028 -4.578 162 HA ALA 20 HA ALA 20 2.398 -5.623 -5.982 163 1HB ALA 20 1HB ALA 20 4.501 -6.895 -6.415 164 2HB ALA 20 2HB ALA 20 3.527 -8.273 -6.978 165 3HB ALA 20 3HB ALA 20 3.506 -6.740 -7.887 166 H LEU 21 H LEU 21 1.314 -8.998 -5.943 167 HA LEU 21 HA LEU 21 -0.619 -8.816 -8.053 168 1HB LEU 21 1HB LEU 21 0.307 -10.902 -7.076 169 2HB LEU 21 2HB LEU 21 -0.598 -10.602 -5.582 170 HG LEU 21 HG LEU 21 -1.865 -10.955 -8.339 171 1HD1 LEU 21 1HD1 LEU 21 -0.628 -12.967 -7.587 172 2HD1 LEU 21 2HD1 LEU 21 -1.486 -12.907 -6.030 173 3HD1 LEU 21 3HD1 LEU 21 -2.386 -13.241 -7.531 174 1HD2 LEU 21 1HD2 LEU 21 -3.278 -9.757 -6.643 175 2HD2 LEU 21 2HD2 LEU 21 -3.924 -11.366 -7.044 176 3HD2 LEU 21 3HD2 LEU 21 -3.035 -11.116 -5.523 177 H PHE 22 H PHE 22 -0.773 -8.287 -4.553 178 HA PHE 22 HA PHE 22 -3.546 -7.713 -4.259 179 1HB PHE 22 1HB PHE 22 -2.395 -8.074 -2.257 180 2HB PHE 22 2HB PHE 22 -1.007 -7.097 -2.771 181 HD1 PHE 22 HD1 PHE 22 -4.657 -6.631 -1.956 182 HD2 PHE 22 HD2 PHE 22 -0.705 -4.952 -2.081 183 HE1 PHE 22 HE1 PHE 22 -5.607 -4.362 -1.648 184 HE2 PHE 22 HE2 PHE 22 -1.660 -2.675 -1.682 185 HZ PHE 22 HZ PHE 22 -4.102 -2.393 -1.471 186 H VAL 23 H VAL 23 -0.765 -5.437 -4.479 187 HA VAL 23 HA VAL 23 -2.230 -3.075 -4.820 188 HB VAL 23 HB VAL 23 0.504 -4.008 -5.732 189 1HG1 VAL 23 1HG2 VAL 23 -0.649 -1.213 -6.079 190 2HG1 VAL 23 2HG2 VAL 23 1.048 -1.686 -6.314 191 3HG1 VAL 23 3HG2 VAL 23 -0.210 -2.333 -7.393 192 1HG2 VAL 23 1HG1 VAL 23 -0.503 -1.964 -3.694 193 2HG2 VAL 23 2HG1 VAL 23 0.171 -3.571 -3.328 194 3HG2 VAL 23 3HG1 VAL 23 1.203 -2.303 -4.028 195 H GLN 24 H GLN 24 -1.058 -5.346 -7.295 196 HA GLN 24 HA GLN 24 -1.925 -4.255 -9.644 197 1HB GLN 24 1HB GLN 24 -0.604 -6.274 -9.324 198 2HB GLN 24 2HB GLN 24 -1.984 -7.123 -8.610 199 1HG GLN 24 1HG GLN 24 -2.273 -5.995 -11.372 200 2HG GLN 24 2HG GLN 24 -1.255 -7.430 -11.147 201 1HE2 GLN 24 2HE2 GLN 24 -3.173 -8.289 -8.762 202 2HE2 GLN 24 1HE2 GLN 24 -4.417 -9.086 -9.697 203 H GLU 25 H GLU 25 -3.886 -6.478 -7.559 204 HA GLU 25 HA GLU 25 -6.143 -6.005 -9.310 205 1HB GLU 25 1HB GLU 25 -7.366 -7.464 -7.592 206 2HB GLU 25 2HB GLU 25 -6.005 -8.221 -8.448 207 1HG GLU 25 1HG GLU 25 -4.571 -8.052 -6.563 208 2HG GLU 25 2HG GLU 25 -5.633 -6.882 -5.755 209 H ALA 26 H ALA 26 -5.265 -4.879 -6.079 210 HA ALA 26 HA ALA 26 -7.604 -3.470 -5.361 211 1HB ALA 26 1HB ALA 26 -4.682 -2.632 -5.184 212 2HB ALA 26 2HB ALA 26 -6.013 -1.949 -4.216 213 3HB ALA 26 3HB ALA 26 -5.517 -3.650 -3.982 214 H ASN 27 H ASN 27 -4.860 -2.627 -7.428 215 HA ASN 27 HA ASN 27 -5.702 -0.089 -8.409 216 1HB ASN 27 1HB ASN 27 -3.736 -2.236 -9.012 217 2HB ASN 27 2HB ASN 27 -4.192 -1.209 -10.377 218 1HD2 ASN 27 2HD2 ASN 27 -2.199 -1.459 -7.705 219 2HD2 ASN 27 1HD2 ASN 27 -1.653 0.201 -7.508 220 H ARG 28 H ARG 28 -6.120 -3.440 -9.570 221 HA ARG 28 HA ARG 28 -7.142 -2.980 -12.174 222 1HB ARG 28 1HB ARG 28 -8.024 -4.977 -10.061 223 2HB ARG 28 2HB ARG 28 -8.455 -5.073 -11.778 224 1HG ARG 28 1HG ARG 28 -6.086 -5.326 -12.402 225 2HG ARG 28 2HG ARG 28 -5.602 -5.139 -10.702 226 1HD ARG 28 1HD ARG 28 -5.688 -7.531 -11.311 227 2HD ARG 28 2HD ARG 28 -6.956 -7.155 -10.123 228 HE ARG 28 HE ARG 28 -8.607 -7.422 -11.778 229 1HH1 ARG 28 1HH2 ARG 28 -5.333 -7.906 -13.022 230 2HH1 ARG 28 2HH2 ARG 28 -5.850 -8.544 -14.557 231 1HH2 ARG 28 2HH1 ARG 28 -9.309 -8.236 -13.819 232 2HH2 ARG 28 1HH1 ARG 28 -8.145 -8.760 -15.004 233 H PHE 29 H PHE 29 -8.811 -3.181 -9.045 234 HA PHE 29 HA PHE 29 -11.389 -2.416 -10.102 235 1HB PHE 29 1HB PHE 29 -10.226 -2.263 -7.300 236 2HB PHE 29 2HB PHE 29 -11.940 -2.086 -7.704 237 HD1 PHE 29 HD1 PHE 29 -9.416 -4.409 -6.746 238 HD2 PHE 29 HD2 PHE 29 -12.929 -4.077 -9.203 239 HE1 PHE 29 HE1 PHE 29 -9.734 -6.870 -6.619 240 HE2 PHE 29 HE2 PHE 29 -13.143 -6.544 -9.233 241 HZ PHE 29 HZ PHE 29 -11.570 -7.944 -7.931 242 H THR 30 H THR 30 -12.135 -0.468 -10.526 243 HA THR 30 HA THR 30 -10.387 1.818 -10.642 244 HB THR 30 HB THR 30 -13.403 1.728 -10.895 245 HG1 THR 30 HG1 THR 30 -13.067 1.200 -13.050 246 1HG2 THR 30 1HG2 THR 30 -13.091 3.541 -12.501 247 2HG2 THR 30 2HG2 THR 30 -12.434 3.940 -10.892 248 3HG2 THR 30 3HG2 THR 30 -11.324 3.491 -12.220 249 H SER 31 H SER 31 -10.326 1.248 -8.011 250 HA SER 31 HA SER 31 -12.170 3.093 -6.634 251 1HB SER 31 1HB SER 31 -10.905 0.481 -5.691 252 2HB SER 31 2HB SER 31 -12.111 1.451 -4.807 253 HG SER 31 HG SER 31 -12.919 -0.433 -6.071 254 H ASP 32 H ASP 32 -11.390 4.434 -5.098 255 HA ASP 32 HA ASP 32 -8.529 4.831 -4.818 256 1HB ASP 32 1HB ASP 32 -10.358 6.559 -4.601 257 2HB ASP 32 2HB ASP 32 -10.823 5.776 -3.070 258 H VAL 33 H VAL 33 -7.850 2.813 -4.310 259 HA VAL 33 HA VAL 33 -8.984 1.252 -2.158 260 HB VAL 33 HB VAL 33 -6.582 0.844 -3.974 261 1HG1 VAL 33 1HG1 VAL 33 -6.424 -0.496 -1.871 262 2HG1 VAL 33 2HG1 VAL 33 -8.065 -1.114 -2.165 263 3HG1 VAL 33 3HG1 VAL 33 -6.748 -1.528 -3.293 264 1HG2 VAL 33 1HG2 VAL 33 -8.831 1.070 -5.017 265 2HG2 VAL 33 2HG2 VAL 33 -8.236 -0.601 -5.160 266 3HG2 VAL 33 3HG2 VAL 33 -9.461 -0.182 -3.934 267 H PHE 34 H PHE 34 -8.088 0.640 -0.239 268 HA PHE 34 HA PHE 34 -5.890 2.408 0.721 269 1HB PHE 34 1HB PHE 34 -8.631 2.130 1.990 270 2HB PHE 34 2HB PHE 34 -7.229 2.870 2.769 271 HD1 PHE 34 HD1 PHE 34 -10.101 3.581 0.843 272 HD2 PHE 34 HD2 PHE 34 -5.951 4.613 1.205 273 HE1 PHE 34 HE1 PHE 34 -10.571 5.802 -0.172 274 HE2 PHE 34 HE2 PHE 34 -6.422 6.867 0.221 275 HZ PHE 34 HZ PHE 34 -8.737 7.432 -0.499 276 H LEU 35 H LEU 35 -5.060 1.947 2.793 277 HA LEU 35 HA LEU 35 -5.510 -0.738 3.917 278 1HB LEU 35 1HB LEU 35 -3.002 0.147 2.547 279 2HB LEU 35 2HB LEU 35 -2.848 -0.848 4.016 280 HG LEU 35 HG LEU 35 -4.733 -1.566 1.777 281 1HD1 LEU 35 1HD2 LEU 35 -2.373 -1.534 0.922 282 2HD1 LEU 35 2HD2 LEU 35 -1.879 -2.563 2.284 283 3HD1 LEU 35 3HD2 LEU 35 -2.975 -3.208 1.038 284 1HD2 LEU 35 1HD1 LEU 35 -3.527 -3.134 4.092 285 2HD2 LEU 35 2HD1 LEU 35 -5.206 -2.561 3.951 286 3HD2 LEU 35 3HD1 LEU 35 -4.595 -3.815 2.842 287 H GLU 36 H GLU 36 -6.010 -0.204 5.693 288 HA GLU 36 HA GLU 36 -5.135 2.290 7.126 289 1HB GLU 36 1HB GLU 36 -7.190 0.224 7.585 290 2HB GLU 36 2HB GLU 36 -7.073 1.659 8.607 291 1HG GLU 36 1HG GLU 36 -7.769 2.993 6.643 292 2HG GLU 36 2HG GLU 36 -7.834 1.538 5.650 293 H LYS 37 H LYS 37 -2.946 1.305 7.854 294 HA LYS 37 HA LYS 37 -2.860 -1.335 8.986 295 1HB LYS 37 1HB LYS 37 -0.942 -0.241 7.827 296 2HB LYS 37 2HB LYS 37 -0.920 1.000 9.114 297 1HG LYS 37 1HG LYS 37 -0.630 -0.671 10.792 298 2HG LYS 37 2HG LYS 37 -0.687 -2.001 9.609 299 1HD LYS 37 1HD LYS 37 1.357 -1.233 8.535 300 2HD LYS 37 2HD LYS 37 1.434 0.192 9.599 301 1HE LYS 37 1HE LYS 37 1.539 -2.707 10.566 302 2HE LYS 37 2HE LYS 37 2.947 -1.666 10.292 303 1HZ LYS 37 1HZ LYS 37 2.043 -0.151 11.935 304 2HZ LYS 37 2HZ LYS 37 0.762 -1.155 12.208 305 3HZ LYS 37 3HZ LYS 37 2.289 -1.649 12.573 306 H ASP 38 H ASP 38 -4.204 -1.619 10.757 307 HA ASP 38 HA ASP 38 -5.071 -1.320 12.822 308 1HB ASP 38 1HB ASP 38 -2.644 0.428 13.346 309 2HB ASP 38 2HB ASP 38 -3.739 -0.253 14.558 310 H GLY 39 H GLY 39 -5.580 0.572 10.532 311 1HA GLY 39 1HA GLY 39 -7.293 2.340 10.752 312 2HA GLY 39 2HA GLY 39 -6.435 2.845 12.237 313 H LYS 40 H LYS 40 -3.776 2.307 10.593 314 HA LYS 40 HA LYS 40 -3.444 5.064 9.702 315 1HB LYS 40 1HB LYS 40 -1.745 2.546 9.636 316 2HB LYS 40 2HB LYS 40 -1.147 4.170 9.208 317 1HG LYS 40 1HG LYS 40 -1.581 4.952 11.504 318 2HG LYS 40 2HG LYS 40 -2.260 3.353 11.923 319 1HD LYS 40 1HD LYS 40 0.206 3.640 12.563 320 2HD LYS 40 2HD LYS 40 -0.179 2.246 11.518 321 1HE LYS 40 1HE LYS 40 0.397 3.561 9.519 322 2HE LYS 40 2HE LYS 40 0.824 4.954 10.535 323 1HZ LYS 40 1HZ LYS 40 2.128 2.314 10.599 324 2HZ LYS 40 2HZ LYS 40 2.748 3.664 9.890 325 3HZ LYS 40 3HZ LYS 40 2.547 3.614 11.525 326 H LYS 41 H LYS 41 -5.255 4.700 8.126 327 HA LYS 41 HA LYS 41 -4.903 2.854 5.950 328 1HB LYS 41 1HB LYS 41 -7.001 3.631 6.873 329 2HB LYS 41 2HB LYS 41 -6.643 5.247 6.214 330 1HG LYS 41 1HG LYS 41 -6.443 3.890 3.933 331 2HG LYS 41 2HG LYS 41 -7.488 2.760 4.770 332 1HD LYS 41 1HD LYS 41 -9.116 4.187 3.930 333 2HD LYS 41 2HD LYS 41 -8.802 4.993 5.489 334 1HE LYS 41 1HE LYS 41 -7.133 6.458 4.347 335 2HE LYS 41 2HE LYS 41 -7.339 5.441 2.899 336 1HZ LYS 41 1HZ LYS 41 -9.649 6.156 2.847 337 2HZ LYS 41 2HZ LYS 41 -9.379 7.195 4.096 338 3HZ LYS 41 3HZ LYS 41 -8.614 7.426 2.648 339 H VAL 42 H VAL 42 -3.932 3.173 4.103 340 HA VAL 42 HA VAL 42 -3.194 5.834 2.951 341 HB VAL 42 HB VAL 42 -1.235 4.726 3.890 342 1HG1 VAL 42 1HG2 VAL 42 -2.297 2.496 4.026 343 2HG1 VAL 42 2HG2 VAL 42 -2.178 2.320 2.265 344 3HG1 VAL 42 3HG2 VAL 42 -0.692 2.365 3.261 345 1HG2 VAL 42 1HG1 VAL 42 -0.814 5.770 1.720 346 2HG2 VAL 42 2HG1 VAL 42 0.210 4.334 1.974 347 3HG2 VAL 42 3HG1 VAL 42 -1.207 4.233 0.911 348 H ASN 43 H ASN 43 -2.588 5.443 0.520 349 HA ASN 43 HA ASN 43 -4.865 4.066 -0.712 350 1HB ASN 43 1HB ASN 43 -3.911 6.209 -1.669 351 2HB ASN 43 2HB ASN 43 -2.430 5.291 -2.049 352 1HD2 ASN 43 2HD2 ASN 43 -5.822 5.833 -2.902 353 2HD2 ASN 43 1HD2 ASN 43 -5.782 4.852 -4.349 354 H ALA 44 H ALA 44 -4.816 2.119 -0.428 355 HA ALA 44 HA ALA 44 -2.892 0.246 0.063 356 1HB ALA 44 1HB ALA 44 -5.383 -0.038 0.159 357 2HB ALA 44 2HB ALA 44 -5.413 -0.089 -1.609 358 3HB ALA 44 3HB ALA 44 -4.612 -1.391 -0.701 359 H LYS 45 H LYS 45 -4.019 1.322 -3.142 360 HA LYS 45 HA LYS 45 -2.471 -0.797 -4.468 361 1HB LYS 45 1HB LYS 45 -3.418 0.255 -6.540 362 2HB LYS 45 2HB LYS 45 -4.638 -0.366 -5.409 363 1HG LYS 45 1HG LYS 45 -5.216 1.843 -4.677 364 2HG LYS 45 2HG LYS 45 -3.718 2.522 -5.314 365 1HD LYS 45 1HD LYS 45 -5.404 3.171 -6.857 366 2HD LYS 45 2HD LYS 45 -4.504 1.865 -7.653 367 1HE LYS 45 1HE LYS 45 -6.280 0.243 -6.910 368 2HE LYS 45 2HE LYS 45 -7.186 1.590 -6.193 369 1HZ LYS 45 1HZ LYS 45 -6.505 1.370 -9.035 370 2HZ LYS 45 2HZ LYS 45 -7.963 1.011 -8.365 371 3HZ LYS 45 3HZ LYS 45 -7.404 2.558 -8.320 372 H SER 46 H SER 46 -1.731 2.312 -3.278 373 HA SER 46 HA SER 46 0.228 2.733 -5.469 374 1HB SER 46 1HB SER 46 -0.737 4.575 -3.252 375 2HB SER 46 2HB SER 46 0.476 4.999 -4.484 376 HG SER 46 HG SER 46 -2.202 4.195 -4.982 377 H ILE 47 H ILE 47 2.293 3.542 -4.881 378 HA ILE 47 HA ILE 47 4.110 2.146 -3.603 379 HB ILE 47 HB ILE 47 4.767 4.063 -4.771 380 1HG1 ILE 47 1HG1 ILE 47 6.089 3.462 -2.534 381 2HG1 ILE 47 2HG1 ILE 47 6.500 4.901 -3.508 382 1HG2 ILE 47 1HG2 ILE 47 2.777 5.450 -4.362 383 2HG2 ILE 47 2HG2 ILE 47 3.361 5.797 -2.718 384 3HG2 ILE 47 3HG2 ILE 47 4.280 6.379 -4.121 385 1HD1 ILE 47 1HD1 ILE 47 5.137 6.318 -2.031 386 2HD1 ILE 47 2HD1 ILE 47 4.700 4.898 -1.058 387 3HD1 ILE 47 3HD1 ILE 47 6.388 5.453 -1.103 388 H MET 48 H MET 48 2.563 4.828 -1.754 389 HA MET 48 HA MET 48 3.781 3.972 0.676 390 1HB MET 48 1HB MET 48 3.096 6.284 0.231 391 2HB MET 48 2HB MET 48 1.386 5.796 0.252 392 1HG MET 48 1HG MET 48 1.644 5.018 2.575 393 2HG MET 48 2HG MET 48 3.364 5.416 2.549 394 1HE MET 48 1HE MET 48 -0.232 6.822 2.178 395 2HE MET 48 2HE MET 48 0.012 8.580 2.310 396 3HE MET 48 3HE MET 48 0.622 7.701 0.882 397 H GLY 49 H GLY 49 0.830 2.929 -0.916 398 1HA GLY 49 1HA GLY 49 -0.542 1.955 1.440 399 2HA GLY 49 2HA GLY 49 -0.853 1.519 -0.263 400 H LEU 50 H LEU 50 1.351 0.488 -1.255 401 HA LEU 50 HA LEU 50 1.775 -2.080 -0.179 402 1HB LEU 50 1HB LEU 50 2.793 -0.328 -2.270 403 2HB LEU 50 2HB LEU 50 4.127 -1.194 -1.498 404 HG LEU 50 HG LEU 50 1.677 -2.631 -2.576 405 1HD1 LEU 50 1HD1 LEU 50 4.447 -2.302 -3.801 406 2HD1 LEU 50 2HD1 LEU 50 3.166 -3.378 -4.402 407 3HD1 LEU 50 3HD1 LEU 50 2.935 -1.613 -4.451 408 1HD2 LEU 50 1HD2 LEU 50 4.453 -3.523 -1.665 409 2HD2 LEU 50 2HD2 LEU 50 2.933 -3.789 -0.789 410 3HD2 LEU 50 3HD2 LEU 50 3.210 -4.605 -2.347 411 H MET 51 H MET 51 4.210 0.442 -0.465 412 HA MET 51 HA MET 51 6.216 -0.764 1.005 413 1HB MET 51 1HB MET 51 5.643 2.136 0.308 414 2HB MET 51 2HB MET 51 7.208 1.573 0.917 415 1HG MET 51 1HG MET 51 7.312 -0.062 -0.967 416 2HG MET 51 2HG MET 51 5.840 0.669 -1.625 417 1HE MET 51 1HE MET 51 6.787 3.640 -0.431 418 2HE MET 51 2HE MET 51 8.371 3.062 0.136 419 3HE MET 51 3HE MET 51 8.281 4.260 -1.179 420 H SER 52 H SER 52 3.744 1.600 2.147 421 HA SER 52 HA SER 52 5.204 1.778 4.694 422 1HB SER 52 1HB SER 52 2.601 3.017 3.800 423 2HB SER 52 2HB SER 52 3.481 3.394 5.307 424 HG SER 52 HG SER 52 4.645 3.609 2.711 425 H LEU 53 H LEU 53 1.724 1.288 4.069 426 HA LEU 53 HA LEU 53 1.411 0.210 6.758 427 1HB LEU 53 1HB LEU 53 -0.501 0.752 4.512 428 2HB LEU 53 2HB LEU 53 -0.962 0.138 6.119 429 HG LEU 53 HG LEU 53 -1.225 2.433 6.373 430 1HD1 LEU 53 1HD1 LEU 53 1.603 1.824 7.290 431 2HD1 LEU 53 2HD1 LEU 53 0.596 3.171 7.880 432 3HD1 LEU 53 3HD1 LEU 53 0.106 1.487 8.198 433 1HD2 LEU 53 1HD2 LEU 53 -0.136 3.200 4.295 434 2HD2 LEU 53 2HD2 LEU 53 0.420 4.145 5.693 435 3HD2 LEU 53 3HD2 LEU 53 1.458 2.869 5.012 436 H ALA 54 H ALA 54 0.883 -0.946 3.420 437 HA ALA 54 HA ALA 54 -0.027 -3.554 4.029 438 1HB ALA 54 1HB ALA 54 1.448 -2.365 1.650 439 2HB ALA 54 2HB ALA 54 0.664 -3.956 1.657 440 3HB ALA 54 3HB ALA 54 -0.316 -2.484 1.846 441 H VAL 55 H VAL 55 3.230 -2.236 3.483 442 HA VAL 55 HA VAL 55 4.511 -4.813 3.895 443 HB VAL 55 HB VAL 55 5.643 -1.980 3.769 444 1HG1 VAL 55 1HG2 VAL 55 7.042 -4.698 3.793 445 2HG1 VAL 55 2HG2 VAL 55 7.825 -3.148 3.400 446 3HG1 VAL 55 3HG2 VAL 55 7.180 -3.430 5.036 447 1HG2 VAL 55 1HG1 VAL 55 4.638 -2.891 1.672 448 2HG2 VAL 55 2HG1 VAL 55 6.401 -2.675 1.550 449 3HG2 VAL 55 3HG1 VAL 55 5.717 -4.301 1.795 450 H SER 56 H SER 56 3.020 -4.973 5.772 451 HA SER 56 HA SER 56 4.674 -4.863 8.178 452 1HB SER 56 1HB SER 56 2.138 -3.273 7.729 453 2HB SER 56 2HB SER 56 2.524 -3.886 9.362 454 HG SER 56 HG SER 56 4.418 -2.465 7.778 455 H THR 57 H THR 57 4.388 -7.151 7.002 456 HA THR 57 HA THR 57 2.272 -8.724 7.137 457 HB THR 57 HB THR 57 4.830 -9.646 8.445 458 HG1 THR 57 HG1 THR 57 5.463 -9.908 6.170 459 1HG2 THR 57 1HG2 THR 57 4.356 -11.609 6.981 460 2HG2 THR 57 2HG2 THR 57 3.013 -11.272 8.110 461 3HG2 THR 57 3HG2 THR 57 2.882 -10.793 6.398 462 H GLY 58 H GLY 58 0.855 -9.491 8.518 463 1HA GLY 58 1HA GLY 58 0.034 -10.314 10.594 464 2HA GLY 58 2HA GLY 58 1.525 -9.757 11.370 465 H THR 59 H THR 59 0.543 -7.016 9.676 466 HA THR 59 HA THR 59 -0.565 -5.974 12.200 467 HB THR 59 HB THR 59 -0.247 -4.476 9.567 468 HG1 THR 59 HG1 THR 59 1.750 -5.404 10.293 469 1HG2 THR 59 1HG2 THR 59 -0.272 -3.617 12.491 470 2HG2 THR 59 2HG2 THR 59 -0.127 -2.540 11.088 471 3HG2 THR 59 3HG2 THR 59 -1.635 -3.454 11.359 472 H GLU 60 H GLU 60 -2.756 -5.501 12.506 473 HA GLU 60 HA GLU 60 -4.505 -6.544 10.400 474 1HB GLU 60 1HB GLU 60 -6.296 -6.306 11.944 475 2HB GLU 60 2HB GLU 60 -4.940 -7.080 12.777 476 1HG GLU 60 1HG GLU 60 -4.335 -5.021 13.928 477 2HG GLU 60 2HG GLU 60 -5.482 -4.091 12.947 478 H VAL 61 H VAL 61 -4.350 -5.272 8.716 479 HA VAL 61 HA VAL 61 -4.939 -2.389 9.149 480 HB VAL 61 HB VAL 61 -3.466 -1.876 7.294 481 1HG1 VAL 61 1HG1 VAL 61 -2.234 -4.064 9.043 482 2HG1 VAL 61 2HG1 VAL 61 -1.313 -2.873 8.090 483 3HG1 VAL 61 3HG1 VAL 61 -2.315 -2.332 9.456 484 1HG2 VAL 61 1HG2 VAL 61 -3.141 -4.890 7.071 485 2HG2 VAL 61 2HG2 VAL 61 -4.027 -3.864 5.906 486 3HG2 VAL 61 3HG2 VAL 61 -2.255 -3.672 6.115 487 H THR 62 H THR 62 -6.607 -1.530 8.073 488 HA THR 62 HA THR 62 -8.469 -3.353 6.870 489 HB THR 62 HB THR 62 -8.686 -0.369 6.791 490 HG1 THR 62 HG1 THR 62 -9.140 -0.305 8.951 491 1HG2 THR 62 1HG2 THR 62 -11.055 -0.973 7.374 492 2HG2 THR 62 2HG2 THR 62 -10.502 -1.824 5.914 493 3HG2 THR 62 3HG2 THR 62 -10.575 -2.685 7.467 494 H LEU 63 H LEU 63 -8.565 -3.925 4.736 495 HA LEU 63 HA LEU 63 -7.295 -2.100 2.796 496 1HB LEU 63 1HB LEU 63 -7.089 -4.754 3.079 497 2HB LEU 63 2HB LEU 63 -8.425 -4.705 1.889 498 HG LEU 63 HG LEU 63 -5.851 -3.068 1.705 499 1HD1 LEU 63 1HD1 LEU 63 -5.439 -5.510 1.799 500 2HD1 LEU 63 2HD1 LEU 63 -6.527 -5.733 0.410 501 3HD1 LEU 63 3HD1 LEU 63 -5.013 -4.810 0.223 502 1HD2 LEU 63 1HD2 LEU 63 -7.971 -3.826 -0.354 503 2HD2 LEU 63 2HD2 LEU 63 -7.706 -2.204 0.330 504 3HD2 LEU 63 3HD2 LEU 63 -6.468 -2.942 -0.710 505 H ILE 64 H ILE 64 -8.424 -0.752 1.687 506 HA ILE 64 HA ILE 64 -11.409 -0.911 1.616 507 HB ILE 64 HB ILE 64 -9.470 1.426 1.387 508 1HG1 ILE 64 1HG1 ILE 64 -11.336 0.692 3.666 509 2HG1 ILE 64 2HG1 ILE 64 -9.565 0.478 3.673 510 1HG2 ILE 64 1HG2 ILE 64 -11.558 1.832 0.157 511 2HG2 ILE 64 2HG2 ILE 64 -12.496 1.439 1.618 512 3HG2 ILE 64 3HG2 ILE 64 -11.435 2.871 1.602 513 1HD1 ILE 64 1HD1 ILE 64 -9.296 2.919 3.306 514 2HD1 ILE 64 2HD1 ILE 64 -11.073 3.118 3.382 515 3HD1 ILE 64 3HD1 ILE 64 -10.160 2.548 4.817 516 H ALA 65 H ALA 65 -12.452 -0.103 -0.275 517 HA ALA 65 HA ALA 65 -10.801 0.750 -2.497 518 1HB ALA 65 1HB ALA 65 -11.056 -1.696 -3.042 519 2HB ALA 65 2HB ALA 65 -12.825 -1.498 -2.906 520 3HB ALA 65 3HB ALA 65 -11.936 -0.659 -4.187 521 H GLN 66 H GLN 66 -11.542 2.632 -2.788 522 HA GLN 66 HA GLN 66 -14.481 3.012 -2.562 523 1HB GLN 66 1HB GLN 66 -12.924 4.099 -0.846 524 2HB GLN 66 2HB GLN 66 -12.105 4.903 -2.209 525 1HG GLN 66 1HG GLN 66 -14.665 5.516 -2.756 526 2HG GLN 66 2HG GLN 66 -14.733 5.436 -0.972 527 1HE2 GLN 66 2HE2 GLN 66 -12.708 6.641 -3.670 528 2HE2 GLN 66 1HE2 GLN 66 -12.142 8.111 -2.863 529 H GLY 67 H GLY 67 -14.298 2.098 -4.813 530 1HA GLY 67 1HA GLY 67 -14.007 4.314 -6.776 531 2HA GLY 67 2HA GLY 67 -13.142 2.811 -6.968 532 H GLU 68 H GLU 68 -14.385 2.880 -8.966 533 HA GLU 68 HA GLU 68 -17.097 2.261 -9.237 534 1HB GLU 68 1HB GLU 68 -14.704 1.117 -10.780 535 2HB GLU 68 2HB GLU 68 -16.388 1.105 -11.323 536 1HG GLU 68 1HG GLU 68 -16.362 3.653 -11.111 537 2HG GLU 68 2HG GLU 68 -14.602 3.531 -10.914 538 H ASP 69 H ASP 69 -14.369 0.089 -8.208 539 HA ASP 69 HA ASP 69 -16.444 -2.028 -7.879 540 1HB ASP 69 1HB ASP 69 -13.555 -2.697 -8.114 541 2HB ASP 69 2HB ASP 69 -14.975 -3.698 -8.437 542 H GLU 70 H GLU 70 -16.344 -0.009 -6.091 543 HA GLU 70 HA GLU 70 -14.311 -0.017 -4.234 544 1HB GLU 70 1HB GLU 70 -16.184 0.685 -2.642 545 2HB GLU 70 2HB GLU 70 -15.893 1.678 -4.081 546 1HG GLU 70 1HG GLU 70 -17.924 1.273 -4.970 547 2HG GLU 70 2HG GLU 70 -17.827 -0.461 -4.599 548 H GLN 71 H GLN 71 -17.381 -1.403 -3.084 549 HA GLN 71 HA GLN 71 -16.427 -3.094 -1.205 550 1HB GLN 71 1HB GLN 71 -18.814 -3.101 -3.002 551 2HB GLN 71 2HB GLN 71 -18.460 -4.601 -2.118 552 1HG GLN 71 1HG GLN 71 -18.743 -1.858 -0.836 553 2HG GLN 71 2HG GLN 71 -19.968 -3.138 -0.829 554 1HE2 GLN 71 2HE2 GLN 71 -17.564 -5.173 -0.616 555 2HE2 GLN 71 1HE2 GLN 71 -17.210 -5.146 1.090 556 H GLU 72 H GLU 72 -16.632 -3.919 -4.695 557 HA GLU 72 HA GLU 72 -15.982 -6.682 -4.312 558 1HB GLU 72 1HB GLU 72 -16.880 -6.477 -6.381 559 2HB GLU 72 2HB GLU 72 -16.468 -4.760 -6.484 560 1HG GLU 72 1HG GLU 72 -14.217 -5.256 -7.194 561 2HG GLU 72 2HG GLU 72 -14.515 -7.006 -7.062 562 H ALA 73 H ALA 73 -14.024 -3.722 -5.043 563 HA ALA 73 HA ALA 73 -11.561 -5.092 -5.430 564 1HB ALA 73 1HB ALA 73 -12.420 -2.321 -4.547 565 2HB ALA 73 2HB ALA 73 -10.731 -2.718 -5.001 566 3HB ALA 73 3HB ALA 73 -12.072 -2.830 -6.189 567 H LEU 74 H LEU 74 -12.898 -3.239 -2.655 568 HA LEU 74 HA LEU 74 -10.750 -3.752 -0.901 569 1HB LEU 74 1HB LEU 74 -12.327 -3.006 0.863 570 2HB LEU 74 2HB LEU 74 -12.312 -2.004 -0.614 571 HG LEU 74 HG LEU 74 -14.263 -3.748 -1.280 572 1HD1 LEU 74 1HD1 LEU 74 -14.552 -3.150 1.694 573 2HD1 LEU 74 2HD1 LEU 74 -15.799 -3.869 0.639 574 3HD1 LEU 74 3HD1 LEU 74 -14.293 -4.759 0.965 575 1HD2 LEU 74 1HD2 LEU 74 -14.446 -1.076 0.179 576 2HD2 LEU 74 2HD2 LEU 74 -14.207 -1.324 -1.563 577 3HD2 LEU 74 3HD2 LEU 74 -15.735 -1.808 -0.810 578 H GLU 75 H GLU 75 -13.738 -5.705 -1.453 579 HA GLU 75 HA GLU 75 -13.157 -7.635 0.560 580 1HB GLU 75 1HB GLU 75 -14.560 -7.945 -2.123 581 2HB GLU 75 2HB GLU 75 -14.586 -9.137 -0.794 582 1HG GLU 75 1HG GLU 75 -15.602 -6.283 -0.641 583 2HG GLU 75 2HG GLU 75 -16.621 -7.732 -0.750 584 H LYS 76 H LYS 76 -12.293 -7.608 -2.960 585 HA LYS 76 HA LYS 76 -10.877 -10.018 -3.183 586 1HB LYS 76 1HB LYS 76 -10.223 -7.233 -4.224 587 2HB LYS 76 2HB LYS 76 -9.499 -8.727 -4.857 588 1HG LYS 76 1HG LYS 76 -12.476 -8.387 -4.697 589 2HG LYS 76 2HG LYS 76 -11.604 -7.632 -6.033 590 1HD LYS 76 1HD LYS 76 -11.368 -10.598 -5.337 591 2HD LYS 76 2HD LYS 76 -12.361 -9.947 -6.662 592 1HE LYS 76 1HE LYS 76 -10.292 -8.926 -7.662 593 2HE LYS 76 2HE LYS 76 -9.331 -9.597 -6.338 594 1HZ LYS 76 1HZ LYS 76 -10.877 -11.176 -8.278 595 2HZ LYS 76 2HZ LYS 76 -9.246 -10.961 -8.297 596 3HZ LYS 76 3HZ LYS 76 -9.948 -11.783 -7.057 597 H LEU 77 H LEU 77 -9.670 -6.816 -2.434 598 HA LEU 77 HA LEU 77 -6.991 -7.684 -2.001 599 1HB LEU 77 1HB LEU 77 -8.392 -5.068 -1.441 600 2HB LEU 77 2HB LEU 77 -6.657 -5.365 -1.170 601 HG LEU 77 HG LEU 77 -6.864 -4.408 -3.410 602 1HD1 LEU 77 1HD2 LEU 77 -6.686 -7.444 -3.605 603 2HD1 LEU 77 2HD2 LEU 77 -6.133 -6.289 -4.836 604 3HD1 LEU 77 3HD2 LEU 77 -5.307 -6.353 -3.252 605 1HD2 LEU 77 1HD1 LEU 77 -9.266 -5.066 -3.817 606 2HD2 LEU 77 2HD1 LEU 77 -8.176 -5.474 -5.182 607 3HD2 LEU 77 3HD1 LEU 77 -8.703 -6.732 -4.043 608 H ALA 78 H ALA 78 -9.348 -6.498 0.542 609 HA ALA 78 HA ALA 78 -7.427 -7.138 2.601 610 1HB ALA 78 1HB ALA 78 -10.436 -6.802 2.891 611 2HB ALA 78 2HB ALA 78 -9.255 -6.911 4.205 612 3HB ALA 78 3HB ALA 78 -9.191 -5.542 3.111 613 H ALA 79 H ALA 79 -9.821 -9.103 0.837 614 HA ALA 79 HA ALA 79 -9.711 -11.389 2.549 615 1HB ALA 79 1HB ALA 79 -11.252 -11.040 0.564 616 2HB ALA 79 2HB ALA 79 -9.815 -11.193 -0.489 617 3HB ALA 79 3HB ALA 79 -10.354 -12.586 0.480 618 H TYR 80 H TYR 80 -7.912 -10.437 -0.383 619 HA TYR 80 HA TYR 80 -6.259 -12.689 -0.628 620 1HB TYR 80 1HB TYR 80 -6.790 -11.011 -2.318 621 2HB TYR 80 2HB TYR 80 -5.827 -9.808 -1.457 622 HD1 TYR 80 HD1 TYR 80 -5.157 -13.411 -2.267 623 HD2 TYR 80 HD2 TYR 80 -3.855 -9.326 -2.639 624 HE1 TYR 80 HE1 TYR 80 -3.027 -14.183 -3.282 625 HE2 TYR 80 HE2 TYR 80 -1.677 -10.112 -3.584 626 HH TYR 80 HH TYR 80 -0.836 -13.544 -3.621 627 H VAL 81 H VAL 81 -5.388 -9.487 0.591 628 HA VAL 81 HA VAL 81 -2.778 -9.625 1.267 629 HB VAL 81 HB VAL 81 -3.357 -8.052 3.129 630 1HG1 VAL 81 1HG2 VAL 81 -3.306 -7.359 0.739 631 2HG1 VAL 81 2HG2 VAL 81 -5.053 -7.727 0.647 632 3HG1 VAL 81 3HG2 VAL 81 -4.478 -6.423 1.718 633 1HG2 VAL 81 1HG1 VAL 81 -6.209 -8.930 2.428 634 2HG2 VAL 81 2HG1 VAL 81 -5.362 -9.288 3.933 635 3HG2 VAL 81 3HG1 VAL 81 -5.788 -7.615 3.553 636 H GLN 82 H GLN 82 -5.370 -11.073 3.236 637 HA GLN 82 HA GLN 82 -3.331 -11.772 5.289 638 1HB GLN 82 1HB GLN 82 -5.276 -11.580 6.835 639 2HB GLN 82 2HB GLN 82 -5.108 -10.113 5.865 640 1HG GLN 82 1HG GLN 82 -6.947 -10.941 4.412 641 2HG GLN 82 2HG GLN 82 -6.932 -12.455 5.272 642 1HE2 GLN 82 2HE2 GLN 82 -8.630 -9.868 5.064 643 2HE2 GLN 82 1HE2 GLN 82 -9.161 -9.466 6.711 644 H GLU 83 H GLU 83 -4.426 -13.322 2.734 645 HA GLU 83 HA GLU 83 -5.487 -15.561 4.355 646 1HB GLU 83 1HB GLU 83 -6.887 -16.093 2.485 647 2HB GLU 83 2HB GLU 83 -6.920 -14.321 2.749 648 1HG GLU 83 1HG GLU 83 -5.329 -13.987 0.934 649 2HG GLU 83 2HG GLU 83 -5.247 -15.740 0.637 650 H GLU 84 H GLU 84 -3.393 -15.177 1.392 651 HA GLU 84 HA GLU 84 -2.755 -18.043 1.725 652 1HB GLU 84 1HB GLU 84 -1.725 -17.806 -0.496 653 2HB GLU 84 2HB GLU 84 -3.439 -17.292 -0.503 654 1HG GLU 84 1HG GLU 84 -2.758 -14.938 -0.316 655 2HG GLU 84 2HG GLU 84 -1.110 -15.485 0.053 656 H VAL 85 H VAL 85 -1.729 -17.265 3.663 657 HA VAL 85 HA VAL 85 0.248 -16.192 4.710 658 HB VAL 85 HB VAL 85 1.519 -18.340 5.385 659 1HG1 VAL 85 1HG1 VAL 85 -1.561 -18.610 5.622 660 2HG1 VAL 85 2HG1 VAL 85 -0.360 -19.520 6.574 661 3HG1 VAL 85 3HG1 VAL 85 -0.488 -17.782 6.776 662 1HG2 VAL 85 1HG2 VAL 85 1.246 -19.669 3.244 663 2HG2 VAL 85 2HG2 VAL 85 0.694 -20.569 4.661 664 3HG2 VAL 85 3HG2 VAL 85 -0.498 -19.828 3.562 Start of MODEL 8 1 1H VAL 2 1H VAL 2 -16.562 6.939 -1.548 2 2H VAL 2 2H VAL 2 -16.621 6.083 -2.994 3 3H VAL 2 3H VAL 2 -17.909 7.068 -2.546 4 HA VAL 2 HA VAL 2 -18.419 5.694 -0.698 5 HB VAL 2 HB VAL 2 -18.105 4.054 -3.226 6 1HG1 VAL 2 1HG2 VAL 2 -18.831 2.793 -1.207 7 2HG1 VAL 2 2HG2 VAL 2 -20.142 3.970 -0.953 8 3HG1 VAL 2 3HG2 VAL 2 -20.148 2.931 -2.399 9 1HG2 VAL 2 1HG1 VAL 2 -19.146 6.252 -3.686 10 2HG2 VAL 2 2HG1 VAL 2 -20.342 4.939 -3.817 11 3HG2 VAL 2 3HG1 VAL 2 -20.315 5.976 -2.370 12 H GLN 3 H GLN 3 -17.000 5.184 0.971 13 HA GLN 3 HA GLN 3 -14.770 3.366 0.248 14 1HB GLN 3 1HB GLN 3 -14.340 5.690 1.239 15 2HB GLN 3 2HB GLN 3 -15.062 5.076 2.741 16 1HG GLN 3 1HG GLN 3 -13.334 3.288 2.816 17 2HG GLN 3 2HG GLN 3 -12.632 3.912 1.304 18 1HE2 GLN 3 2HE2 GLN 3 -12.676 4.248 4.758 19 2HE2 GLN 3 1HE2 GLN 3 -11.654 5.672 4.803 20 H GLN 4 H GLN 4 -14.679 1.337 1.018 21 HA GLN 4 HA GLN 4 -15.967 0.793 3.636 22 1HB GLN 4 1HB GLN 4 -17.487 -0.117 1.996 23 2HB GLN 4 2HB GLN 4 -16.154 -0.803 1.059 24 1HG GLN 4 1HG GLN 4 -17.285 -2.572 2.256 25 2HG GLN 4 2HG GLN 4 -15.646 -2.366 2.904 26 1HE2 GLN 4 2HE2 GLN 4 -18.703 -3.046 3.797 27 2HE2 GLN 4 1HE2 GLN 4 -18.719 -2.345 5.416 28 H LYS 5 H LYS 5 -14.770 -1.035 4.797 29 HA LYS 5 HA LYS 5 -12.190 -1.761 3.623 30 1HB LYS 5 1HB LYS 5 -10.961 -0.964 5.585 31 2HB LYS 5 2HB LYS 5 -11.704 0.381 4.692 32 1HG LYS 5 1HG LYS 5 -13.073 -0.912 7.057 33 2HG LYS 5 2HG LYS 5 -11.879 0.397 7.280 34 1HD LYS 5 1HD LYS 5 -13.202 1.966 6.104 35 2HD LYS 5 2HD LYS 5 -14.201 0.705 5.359 36 1HE LYS 5 1HE LYS 5 -14.157 1.296 8.344 37 2HE LYS 5 2HE LYS 5 -15.409 1.859 7.214 38 1HZ LYS 5 1HZ LYS 5 -14.744 -0.969 7.691 39 2HZ LYS 5 2HZ LYS 5 -16.022 -0.167 8.357 40 3HZ LYS 5 3HZ LYS 5 -15.943 -0.394 6.724 41 H VAL 6 H VAL 6 -11.464 -3.701 4.404 42 HA VAL 6 HA VAL 6 -12.854 -4.867 6.756 43 HB VAL 6 HB VAL 6 -12.768 -7.088 5.568 44 1HG1 VAL 6 1HG1 VAL 6 -14.427 -4.897 4.255 45 2HG1 VAL 6 2HG1 VAL 6 -14.772 -6.645 4.177 46 3HG1 VAL 6 3HG1 VAL 6 -14.860 -5.787 5.736 47 1HG2 VAL 6 1HG2 VAL 6 -11.106 -6.444 3.827 48 2HG2 VAL 6 2HG2 VAL 6 -12.601 -7.103 3.118 49 3HG2 VAL 6 3HG2 VAL 6 -12.306 -5.348 3.108 50 H GLU 7 H GLU 7 -11.263 -5.414 8.282 51 HA GLU 7 HA GLU 7 -8.558 -4.976 7.289 52 1HB GLU 7 1HB GLU 7 -7.860 -4.959 9.626 53 2HB GLU 7 2HB GLU 7 -9.234 -3.879 9.355 54 1HG GLU 7 1HG GLU 7 -9.722 -4.973 11.379 55 2HG GLU 7 2HG GLU 7 -10.696 -5.869 10.192 56 H VAL 8 H VAL 8 -6.740 -6.249 8.021 57 HA VAL 8 HA VAL 8 -7.236 -9.162 8.114 58 HB VAL 8 HB VAL 8 -6.356 -9.551 6.047 59 1HG1 VAL 8 1HG2 VAL 8 -8.117 -7.827 5.617 60 2HG1 VAL 8 2HG2 VAL 8 -6.852 -6.582 5.603 61 3HG1 VAL 8 3HG2 VAL 8 -6.856 -7.864 4.357 62 1HG2 VAL 8 1HG1 VAL 8 -4.099 -8.806 6.660 63 2HG2 VAL 8 2HG1 VAL 8 -4.503 -8.343 4.995 64 3HG2 VAL 8 3HG1 VAL 8 -4.547 -7.124 6.295 65 H ARG 9 H ARG 9 -5.333 -10.257 9.103 66 HA ARG 9 HA ARG 9 -3.392 -8.258 10.172 67 1HB ARG 9 1HB ARG 9 -3.892 -9.708 11.908 68 2HB ARG 9 2HB ARG 9 -3.799 -11.165 10.873 69 1HG ARG 9 1HG ARG 9 -1.316 -9.598 10.912 70 2HG ARG 9 2HG ARG 9 -1.731 -10.236 12.508 71 1HD ARG 9 1HD ARG 9 -2.062 -12.490 11.550 72 2HD ARG 9 2HD ARG 9 -1.720 -11.848 9.931 73 HE ARG 9 HE ARG 9 0.235 -12.149 12.165 74 1HH1 ARG 9 1HH2 ARG 9 -0.496 -11.509 8.762 75 2HH1 ARG 9 2HH2 ARG 9 1.128 -11.817 8.211 76 1HH2 ARG 9 2HH1 ARG 9 2.393 -12.478 11.461 77 2HH2 ARG 9 1HH1 ARG 9 2.811 -12.357 9.777 78 H LEU 10 H LEU 10 -2.791 -7.627 8.344 79 HA LEU 10 HA LEU 10 -2.151 -8.306 5.914 80 1HB LEU 10 1HB LEU 10 -1.738 -6.181 7.079 81 2HB LEU 10 2HB LEU 10 -0.383 -6.898 7.960 82 HG LEU 10 HG LEU 10 0.936 -7.041 5.908 83 1HD1 LEU 10 1HD1 LEU 10 -1.533 -5.798 4.599 84 2HD1 LEU 10 2HD1 LEU 10 0.065 -6.008 3.839 85 3HD1 LEU 10 3HD1 LEU 10 -0.902 -7.434 4.277 86 1HD2 LEU 10 1HD2 LEU 10 0.833 -5.025 7.363 87 2HD2 LEU 10 2HD2 LEU 10 1.169 -4.625 5.666 88 3HD2 LEU 10 3HD2 LEU 10 -0.466 -4.370 6.333 89 H LYS 11 H LYS 11 -1.687 -10.580 5.560 90 HA LYS 11 HA LYS 11 0.958 -11.394 6.601 91 1HB LYS 11 1HB LYS 11 -0.635 -13.007 7.125 92 2HB LYS 11 2HB LYS 11 -1.409 -12.939 5.524 93 1HG LYS 11 1HG LYS 11 1.462 -13.833 5.696 94 2HG LYS 11 2HG LYS 11 0.106 -14.956 6.024 95 1HD LYS 11 1HD LYS 11 0.489 -13.240 3.526 96 2HD LYS 11 2HD LYS 11 0.439 -15.005 3.581 97 1HE LYS 11 1HE LYS 11 -1.838 -13.112 4.230 98 2HE LYS 11 2HE LYS 11 -1.670 -14.186 2.824 99 1HZ LYS 11 1HZ LYS 11 -1.665 -16.057 4.368 100 2HZ LYS 11 2HZ LYS 11 -1.861 -15.043 5.649 101 3HZ LYS 11 3HZ LYS 11 -3.056 -15.201 4.537 102 H THR 12 H THR 12 -0.601 -10.291 3.665 103 HA THR 12 HA THR 12 1.324 -11.181 1.799 104 HB THR 12 HB THR 12 0.749 -8.847 0.733 105 HG1 THR 12 HG1 THR 12 -1.069 -7.885 1.690 106 1HG2 THR 12 1HG2 THR 12 -1.481 -10.828 1.372 107 2HG2 THR 12 2HG2 THR 12 -1.485 -9.651 0.033 108 3HG2 THR 12 3HG2 THR 12 -0.309 -10.983 0.046 109 H GLY 13 H GLY 13 1.248 -8.642 4.205 110 1HA GLY 13 1HA GLY 13 2.594 -6.943 4.864 111 2HA GLY 13 2HA GLY 13 3.850 -8.190 4.938 112 H LEU 14 H LEU 14 2.105 -6.843 2.274 113 HA LEU 14 HA LEU 14 2.804 -6.339 0.101 114 1HB LEU 14 1HB LEU 14 3.557 -4.273 2.077 115 2HB LEU 14 2HB LEU 14 3.970 -3.996 0.378 116 HG LEU 14 HG LEU 14 1.638 -3.227 1.306 117 1HD1 LEU 14 1HD2 LEU 14 2.249 -3.099 -1.075 118 2HD1 LEU 14 2HD2 LEU 14 1.723 -4.785 -1.285 119 3HD1 LEU 14 3HD2 LEU 14 0.543 -3.539 -0.827 120 1HD2 LEU 14 1HD1 LEU 14 0.937 -5.421 2.231 121 2HD2 LEU 14 2HD1 LEU 14 -0.175 -4.870 0.952 122 3HD2 LEU 14 3HD1 LEU 14 1.032 -6.133 0.600 123 H GLN 15 H GLN 15 4.315 -8.369 0.821 124 HA GLN 15 HA GLN 15 7.132 -7.852 0.470 125 1HB GLN 15 1HB GLN 15 5.444 -10.374 0.543 126 2HB GLN 15 2HB GLN 15 7.223 -10.397 0.445 127 1HG GLN 15 1HG GLN 15 7.472 -9.341 2.553 128 2HG GLN 15 2HG GLN 15 5.823 -8.698 2.513 129 1HE2 GLN 15 2HE2 GLN 15 6.979 -12.160 2.099 130 2HE2 GLN 15 1HE2 GLN 15 5.942 -12.725 3.405 131 H ALA 16 H ALA 16 6.311 -6.521 -1.501 132 HA ALA 16 HA ALA 16 6.542 -6.078 -3.710 133 1HB ALA 16 1HB ALA 16 8.760 -7.071 -3.394 134 2HB ALA 16 2HB ALA 16 8.102 -8.688 -3.745 135 3HB ALA 16 3HB ALA 16 8.124 -7.438 -5.017 136 H ARG 17 H ARG 17 6.371 -9.596 -4.012 137 HA ARG 17 HA ARG 17 4.696 -9.596 -6.323 138 1HB ARG 17 1HB ARG 17 5.196 -11.739 -4.232 139 2HB ARG 17 2HB ARG 17 4.467 -12.032 -5.824 140 1HG ARG 17 1HG ARG 17 6.508 -11.927 -6.875 141 2HG ARG 17 2HG ARG 17 7.061 -10.571 -5.858 142 1HD ARG 17 1HD ARG 17 6.856 -13.464 -4.923 143 2HD ARG 17 2HD ARG 17 8.365 -12.642 -5.390 144 HE ARG 17 HE ARG 17 7.284 -10.965 -3.489 145 1HH1 ARG 17 1HH2 ARG 17 8.156 -14.430 -3.426 146 2HH1 ARG 17 2HH2 ARG 17 8.385 -14.384 -1.676 147 1HH2 ARG 17 2HH1 ARG 17 7.556 -10.998 -1.345 148 2HH2 ARG 17 1HH1 ARG 17 8.106 -12.430 -0.489 149 HA PRO 18 HA PRO 18 0.994 -10.733 -3.537 150 1HB PRO 18 1HB PRO 18 1.242 -10.516 -0.790 151 2HB PRO 18 2HB PRO 18 1.655 -12.011 -1.685 152 1HG PRO 18 1HG PRO 18 3.566 -9.810 -0.809 153 2HG PRO 18 2HG PRO 18 3.721 -11.587 -0.578 154 1HD PRO 18 1HD PRO 18 4.955 -10.326 -2.642 155 2HD PRO 18 2HD PRO 18 4.183 -11.921 -2.883 156 H ALA 19 H ALA 19 3.134 -8.290 -2.252 157 HA ALA 19 HA ALA 19 1.319 -6.376 -1.290 158 1HB ALA 19 1HB ALA 19 3.811 -6.449 -1.180 159 2HB ALA 19 2HB ALA 19 3.840 -6.068 -2.925 160 3HB ALA 19 3HB ALA 19 3.171 -4.877 -1.758 161 H ALA 20 H ALA 20 2.739 -6.826 -4.528 162 HA ALA 20 HA ALA 20 1.284 -4.544 -5.698 163 1HB ALA 20 1HB ALA 20 2.923 -6.822 -6.948 164 2HB ALA 20 2HB ALA 20 2.362 -5.358 -7.794 165 3HB ALA 20 3HB ALA 20 3.570 -5.225 -6.490 166 H LEU 21 H LEU 21 0.935 -8.120 -5.487 167 HA LEU 21 HA LEU 21 -1.226 -8.330 -7.313 168 1HB LEU 21 1HB LEU 21 0.029 -10.153 -6.031 169 2HB LEU 21 2HB LEU 21 -1.049 -9.808 -4.664 170 HG LEU 21 HG LEU 21 -1.829 -11.710 -6.056 171 1HD1 LEU 21 1HD2 LEU 21 -3.511 -10.319 -4.899 172 2HD1 LEU 21 2HD2 LEU 21 -3.624 -9.269 -6.335 173 3HD1 LEU 21 3HD2 LEU 21 -4.137 -10.971 -6.436 174 1HD2 LEU 21 1HD1 LEU 21 -0.866 -10.940 -8.194 175 2HD2 LEU 21 2HD1 LEU 21 -2.602 -11.301 -8.365 176 3HD2 LEU 21 3HD1 LEU 21 -2.051 -9.613 -8.259 177 H PHE 22 H PHE 22 -1.135 -7.621 -3.860 178 HA PHE 22 HA PHE 22 -3.779 -6.955 -3.235 179 1HB PHE 22 1HB PHE 22 -2.110 -7.162 -1.531 180 2HB PHE 22 2HB PHE 22 -1.017 -6.088 -2.408 181 HD1 PHE 22 HD1 PHE 22 -0.800 -3.869 -2.030 182 HD2 PHE 22 HD2 PHE 22 -4.065 -6.023 -0.248 183 HE1 PHE 22 HE1 PHE 22 -1.285 -1.918 -0.575 184 HE2 PHE 22 HE2 PHE 22 -4.451 -4.138 1.325 185 HZ PHE 22 HZ PHE 22 -3.037 -2.098 1.193 186 H VAL 23 H VAL 23 -1.199 -4.520 -3.994 187 HA VAL 23 HA VAL 23 -2.941 -2.372 -4.264 188 HB VAL 23 HB VAL 23 -1.087 -1.257 -5.337 189 1HG1 VAL 23 1HG1 VAL 23 -0.713 -1.611 -2.928 190 2HG1 VAL 23 2HG1 VAL 23 0.158 -3.117 -3.295 191 3HG1 VAL 23 3HG1 VAL 23 0.776 -1.554 -3.859 192 1HG2 VAL 23 1HG2 VAL 23 -0.877 -2.783 -7.026 193 2HG2 VAL 23 2HG2 VAL 23 0.729 -2.406 -6.357 194 3HG2 VAL 23 3HG2 VAL 23 -0.108 -3.973 -5.973 195 H GLN 24 H GLN 24 -2.045 -4.787 -6.722 196 HA GLN 24 HA GLN 24 -2.979 -3.268 -8.992 197 1HB GLN 24 1HB GLN 24 -2.502 -5.187 -10.303 198 2HB GLN 24 2HB GLN 24 -1.151 -4.907 -9.176 199 1HG GLN 24 1HG GLN 24 -1.952 -6.662 -7.714 200 2HG GLN 24 2HG GLN 24 -3.419 -6.880 -8.690 201 1HE2 GLN 24 2HE2 GLN 24 -3.416 -8.291 -10.279 202 2HE2 GLN 24 1HE2 GLN 24 -1.981 -9.073 -10.958 203 H GLU 25 H GLU 25 -4.345 -5.915 -7.000 204 HA GLU 25 HA GLU 25 -6.706 -6.055 -8.667 205 1HB GLU 25 1HB GLU 25 -6.355 -6.871 -5.732 206 2HB GLU 25 2HB GLU 25 -7.660 -7.389 -6.830 207 1HG GLU 25 1HG GLU 25 -4.695 -8.014 -7.070 208 2HG GLU 25 2HG GLU 25 -5.972 -9.164 -6.638 209 H ALA 26 H ALA 26 -5.830 -4.621 -5.535 210 HA ALA 26 HA ALA 26 -8.024 -3.033 -4.891 211 1HB ALA 26 1HB ALA 26 -5.066 -2.328 -4.956 212 2HB ALA 26 2HB ALA 26 -6.292 -1.508 -3.960 213 3HB ALA 26 3HB ALA 26 -5.864 -3.211 -3.628 214 H ASN 27 H ASN 27 -5.311 -2.338 -7.101 215 HA ASN 27 HA ASN 27 -6.111 0.106 -8.149 216 1HB ASN 27 1HB ASN 27 -4.191 -2.005 -8.543 217 2HB ASN 27 2HB ASN 27 -4.863 -1.626 -10.126 218 1HD2 ASN 27 2HD2 ASN 27 -2.961 -0.506 -7.444 219 2HD2 ASN 27 1HD2 ASN 27 -2.317 0.965 -8.184 220 H ARG 28 H ARG 28 -6.975 -3.173 -9.174 221 HA ARG 28 HA ARG 28 -7.936 -2.455 -11.863 222 1HB ARG 28 1HB ARG 28 -8.517 -4.792 -9.992 223 2HB ARG 28 2HB ARG 28 -9.094 -4.684 -11.671 224 1HG ARG 28 1HG ARG 28 -6.780 -4.547 -12.493 225 2HG ARG 28 2HG ARG 28 -6.167 -4.564 -10.824 226 1HD ARG 28 1HD ARG 28 -7.050 -6.840 -10.490 227 2HD ARG 28 2HD ARG 28 -7.766 -6.813 -12.118 228 HE ARG 28 HE ARG 28 -4.990 -6.247 -12.324 229 1HH1 ARG 28 2HH1 ARG 28 -7.099 -8.907 -11.413 230 2HH1 ARG 28 1HH1 ARG 28 -6.186 -10.135 -12.251 231 1HH2 ARG 28 1HH2 ARG 28 -3.680 -7.850 -13.306 232 2HH2 ARG 28 2HH2 ARG 28 -4.160 -9.525 -13.294 233 H PHE 29 H PHE 29 -9.220 -3.162 -8.718 234 HA PHE 29 HA PHE 29 -11.923 -2.399 -8.860 235 1HB PHE 29 1HB PHE 29 -9.648 -2.183 -6.854 236 2HB PHE 29 2HB PHE 29 -11.298 -1.808 -6.433 237 HD1 PHE 29 HD1 PHE 29 -12.613 -4.031 -8.145 238 HD2 PHE 29 HD2 PHE 29 -9.305 -4.071 -5.396 239 HE1 PHE 29 HE1 PHE 29 -13.193 -6.353 -7.503 240 HE2 PHE 29 HE2 PHE 29 -9.850 -6.401 -4.767 241 HZ PHE 29 HZ PHE 29 -11.837 -7.531 -5.771 242 H THR 30 H THR 30 -12.546 -0.452 -9.764 243 HA THR 30 HA THR 30 -10.801 1.862 -9.686 244 HB THR 30 HB THR 30 -13.546 1.225 -10.662 245 HG1 THR 30 HG1 THR 30 -11.609 0.638 -11.779 246 1HG2 THR 30 1HG2 THR 30 -12.334 3.976 -10.870 247 2HG2 THR 30 2HG2 THR 30 -13.864 3.396 -11.615 248 3HG2 THR 30 3HG2 THR 30 -13.707 3.498 -9.844 249 H SER 31 H SER 31 -10.807 1.332 -7.210 250 HA SER 31 HA SER 31 -12.568 3.236 -5.800 251 1HB SER 31 1HB SER 31 -11.269 0.639 -4.836 252 2HB SER 31 2HB SER 31 -12.325 1.702 -3.880 253 HG SER 31 HG SER 31 -12.991 -0.045 -6.001 254 H ASP 32 H ASP 32 -11.683 4.532 -4.226 255 HA ASP 32 HA ASP 32 -8.825 5.042 -4.166 256 1HB ASP 32 1HB ASP 32 -11.180 5.788 -2.370 257 2HB ASP 32 2HB ASP 32 -9.520 6.345 -2.088 258 H VAL 33 H VAL 33 -8.125 2.833 -3.884 259 HA VAL 33 HA VAL 33 -9.053 1.304 -1.644 260 HB VAL 33 HB VAL 33 -6.773 0.932 -3.603 261 1HG1 VAL 33 1HG1 VAL 33 -8.009 -0.994 -1.590 262 2HG1 VAL 33 2HG1 VAL 33 -6.908 -1.465 -2.912 263 3HG1 VAL 33 3HG1 VAL 33 -6.327 -0.395 -1.619 264 1HG2 VAL 33 1HG2 VAL 33 -9.047 1.115 -4.522 265 2HG2 VAL 33 2HG2 VAL 33 -8.443 -0.548 -4.682 266 3HG2 VAL 33 3HG2 VAL 33 -9.623 -0.138 -3.405 267 H PHE 34 H PHE 34 -8.057 0.722 0.220 268 HA PHE 34 HA PHE 34 -5.706 2.325 1.014 269 1HB PHE 34 1HB PHE 34 -8.288 2.405 2.597 270 2HB PHE 34 2HB PHE 34 -6.735 3.100 3.053 271 HD1 PHE 34 HD1 PHE 34 -9.848 3.942 1.739 272 HD2 PHE 34 HD2 PHE 34 -5.652 4.627 1.102 273 HE1 PHE 34 HE1 PHE 34 -10.383 6.051 0.560 274 HE2 PHE 34 HE2 PHE 34 -6.187 6.756 -0.091 275 HZ PHE 34 HZ PHE 34 -8.555 7.460 -0.366 276 H LEU 35 H LEU 35 -5.022 1.774 3.270 277 HA LEU 35 HA LEU 35 -5.823 -0.893 4.207 278 1HB LEU 35 1HB LEU 35 -3.917 -1.194 2.519 279 2HB LEU 35 2HB LEU 35 -2.879 -0.332 3.683 280 HG LEU 35 HG LEU 35 -3.539 -2.001 5.432 281 1HD1 LEU 35 1HD1 LEU 35 -4.998 -3.316 3.100 282 2HD1 LEU 35 2HD1 LEU 35 -4.803 -4.015 4.724 283 3HD1 LEU 35 3HD1 LEU 35 -5.773 -2.540 4.499 284 1HD2 LEU 35 1HD2 LEU 35 -2.524 -3.257 2.844 285 2HD2 LEU 35 2HD2 LEU 35 -1.526 -2.416 4.057 286 3HD2 LEU 35 3HD2 LEU 35 -2.343 -3.942 4.478 287 H GLU 36 H GLU 36 -6.272 -0.445 6.256 288 HA GLU 36 HA GLU 36 -5.071 1.949 7.545 289 1HB GLU 36 1HB GLU 36 -7.417 0.257 8.443 290 2HB GLU 36 2HB GLU 36 -7.029 1.937 8.888 291 1HG GLU 36 1HG GLU 36 -7.407 2.646 6.569 292 2HG GLU 36 2HG GLU 36 -7.761 0.986 6.093 293 H LYS 37 H LYS 37 -3.055 1.034 8.378 294 HA LYS 37 HA LYS 37 -2.564 -1.492 9.513 295 1HB LYS 37 1HB LYS 37 -1.470 1.301 9.597 296 2HB LYS 37 2HB LYS 37 -0.715 0.039 10.579 297 1HG LYS 37 1HG LYS 37 -1.217 -0.443 7.633 298 2HG LYS 37 2HG LYS 37 0.191 0.513 8.156 299 1HD LYS 37 1HD LYS 37 -0.466 -2.336 8.996 300 2HD LYS 37 2HD LYS 37 0.888 -1.825 7.966 301 1HE LYS 37 1HE LYS 37 0.449 -0.952 10.862 302 2HE LYS 37 2HE LYS 37 1.525 -2.272 10.368 303 1HZ LYS 37 1HZ LYS 37 1.779 0.541 9.528 304 2HZ LYS 37 2HZ LYS 37 2.679 -0.202 10.692 305 3HZ LYS 37 3HZ LYS 37 2.799 -0.702 9.130 306 H ASP 38 H ASP 38 -4.444 -1.900 10.985 307 HA ASP 38 HA ASP 38 -5.589 -1.790 12.948 308 1HB ASP 38 1HB ASP 38 -2.942 -0.660 13.893 309 2HB ASP 38 2HB ASP 38 -4.322 -0.930 14.969 310 H GLY 39 H GLY 39 -5.617 0.416 10.941 311 1HA GLY 39 1HA GLY 39 -7.157 2.384 11.408 312 2HA GLY 39 2HA GLY 39 -6.098 2.666 12.815 313 H LYS 40 H LYS 40 -3.577 2.004 11.198 314 HA LYS 40 HA LYS 40 -3.166 4.731 10.283 315 1HB LYS 40 1HB LYS 40 -1.255 2.465 9.815 316 2HB LYS 40 2HB LYS 40 -0.895 4.167 10.091 317 1HG LYS 40 1HG LYS 40 -1.754 2.092 12.153 318 2HG LYS 40 2HG LYS 40 -0.156 2.813 11.938 319 1HD LYS 40 1HD LYS 40 -0.897 4.059 13.713 320 2HD LYS 40 2HD LYS 40 -1.426 5.099 12.374 321 1HE LYS 40 1HE LYS 40 -3.233 4.767 14.059 322 2HE LYS 40 2HE LYS 40 -3.669 4.049 12.495 323 1HZ LYS 40 1HZ LYS 40 -2.927 1.922 13.366 324 2HZ LYS 40 2HZ LYS 40 -2.628 2.608 14.837 325 3HZ LYS 40 3HZ LYS 40 -4.164 2.532 14.250 326 H LYS 41 H LYS 41 -4.923 4.498 8.647 327 HA LYS 41 HA LYS 41 -4.493 2.692 6.427 328 1HB LYS 41 1HB LYS 41 -6.744 3.417 7.207 329 2HB LYS 41 2HB LYS 41 -6.291 5.067 6.789 330 1HG LYS 41 1HG LYS 41 -5.844 3.952 4.373 331 2HG LYS 41 2HG LYS 41 -7.078 2.834 4.957 332 1HD LYS 41 1HD LYS 41 -8.461 4.431 4.080 333 2HD LYS 41 2HD LYS 41 -8.232 5.223 5.658 334 1HE LYS 41 1HE LYS 41 -6.392 5.506 3.270 335 2HE LYS 41 2HE LYS 41 -7.774 6.600 3.481 336 1HZ LYS 41 1HZ LYS 41 -6.823 7.267 5.599 337 2HZ LYS 41 2HZ LYS 41 -5.489 6.341 5.325 338 3HZ LYS 41 3HZ LYS 41 -5.824 7.609 4.338 339 H VAL 42 H VAL 42 -3.860 2.965 4.500 340 HA VAL 42 HA VAL 42 -3.045 5.636 3.447 341 HB VAL 42 HB VAL 42 -1.042 4.500 4.302 342 1HG1 VAL 42 1HG2 VAL 42 -2.019 2.251 4.374 343 2HG1 VAL 42 2HG2 VAL 42 -1.963 2.153 2.599 344 3HG1 VAL 42 3HG2 VAL 42 -0.445 2.228 3.543 345 1HG2 VAL 42 1HG1 VAL 42 -0.780 5.712 2.197 346 2HG2 VAL 42 2HG1 VAL 42 0.318 4.324 2.317 347 3HG2 VAL 42 3HG1 VAL 42 -1.136 4.213 1.296 348 H ASN 43 H ASN 43 -2.479 5.351 1.035 349 HA ASN 43 HA ASN 43 -4.794 4.129 -0.308 350 1HB ASN 43 1HB ASN 43 -3.926 6.282 -1.143 351 2HB ASN 43 2HB ASN 43 -2.311 5.572 -1.339 352 1HD2 ASN 43 2HD2 ASN 43 -5.581 4.204 -2.232 353 2HD2 ASN 43 1HD2 ASN 43 -5.200 4.176 -3.945 354 H ALA 44 H ALA 44 -4.776 2.162 -0.145 355 HA ALA 44 HA ALA 44 -2.853 0.271 0.357 356 1HB ALA 44 1HB ALA 44 -5.311 0.029 -1.427 357 2HB ALA 44 2HB ALA 44 -4.494 -1.344 -0.655 358 3HB ALA 44 3HB ALA 44 -5.321 -0.113 0.343 359 H LYS 45 H LYS 45 -3.999 1.348 -2.801 360 HA LYS 45 HA LYS 45 -2.398 -0.569 -4.313 361 1HB LYS 45 1HB LYS 45 -3.159 0.817 -6.260 362 2HB LYS 45 2HB LYS 45 -4.477 0.132 -5.284 363 1HG LYS 45 1HG LYS 45 -5.003 2.219 -4.311 364 2HG LYS 45 2HG LYS 45 -3.422 2.925 -4.732 365 1HD LYS 45 1HD LYS 45 -5.312 3.743 -6.189 366 2HD LYS 45 2HD LYS 45 -3.958 3.008 -7.059 367 1HE LYS 45 1HE LYS 45 -6.047 2.175 -8.007 368 2HE LYS 45 2HE LYS 45 -5.147 0.874 -7.200 369 1HZ LYS 45 1HZ LYS 45 -6.601 1.175 -5.302 370 2HZ LYS 45 2HZ LYS 45 -7.486 2.306 -6.116 371 3HZ LYS 45 3HZ LYS 45 -7.442 0.751 -6.648 372 H SER 46 H SER 46 -1.634 2.391 -2.776 373 HA SER 46 HA SER 46 0.446 2.968 -4.807 374 1HB SER 46 1HB SER 46 -1.151 4.775 -4.059 375 2HB SER 46 2HB SER 46 -0.405 4.681 -2.453 376 HG SER 46 HG SER 46 0.511 6.293 -3.950 377 H ILE 47 H ILE 47 2.328 4.075 -3.742 378 HA ILE 47 HA ILE 47 4.100 2.187 -2.651 379 HB ILE 47 HB ILE 47 4.757 4.267 -3.818 380 1HG1 ILE 47 1HG1 ILE 47 6.077 2.841 -1.985 381 2HG1 ILE 47 2HG1 ILE 47 6.817 4.256 -2.723 382 1HG2 ILE 47 1HG2 ILE 47 3.107 5.785 -2.673 383 2HG2 ILE 47 2HG2 ILE 47 3.999 5.592 -1.166 384 3HG2 ILE 47 3HG2 ILE 47 4.765 6.434 -2.527 385 1HD1 ILE 47 1HD1 ILE 47 5.361 4.215 -0.055 386 2HD1 ILE 47 2HD1 ILE 47 7.123 4.291 -0.291 387 3HD1 ILE 47 3HD1 ILE 47 6.098 5.650 -0.815 388 H MET 48 H MET 48 2.377 4.845 -0.925 389 HA MET 48 HA MET 48 3.615 4.079 1.545 390 1HB MET 48 1HB MET 48 2.857 6.352 1.130 391 2HB MET 48 2HB MET 48 1.196 5.799 0.899 392 1HG MET 48 1HG MET 48 1.274 4.949 3.305 393 2HG MET 48 2HG MET 48 2.895 5.643 3.441 394 1HE MET 48 1HE MET 48 2.365 8.245 1.601 395 2HE MET 48 2HE MET 48 2.076 9.467 2.862 396 3HE MET 48 3HE MET 48 3.366 8.259 3.074 397 H GLY 49 H GLY 49 0.989 2.678 -0.265 398 1HA GLY 49 1HA GLY 49 -0.074 1.369 2.130 399 2HA GLY 49 2HA GLY 49 -0.529 1.034 0.434 400 H LEU 50 H LEU 50 1.545 0.309 -0.934 401 HA LEU 50 HA LEU 50 2.447 -2.180 -0.285 402 1HB LEU 50 1HB LEU 50 2.933 -0.332 -2.287 403 2HB LEU 50 2HB LEU 50 4.505 -0.476 -1.485 404 HG LEU 50 HG LEU 50 4.717 -2.100 -3.106 405 1HD1 LEU 50 1HD2 LEU 50 5.218 -3.048 -0.833 406 2HD1 LEU 50 2HD2 LEU 50 3.545 -3.602 -0.726 407 3HD1 LEU 50 3HD2 LEU 50 4.610 -4.298 -1.943 408 1HD2 LEU 50 1HD1 LEU 50 2.419 -2.042 -3.934 409 2HD2 LEU 50 2HD1 LEU 50 2.967 -3.719 -3.713 410 3HD2 LEU 50 3HD1 LEU 50 1.870 -2.974 -2.528 411 H MET 51 H MET 51 4.622 0.605 -0.227 412 HA MET 51 HA MET 51 6.761 -0.761 1.023 413 1HB MET 51 1HB MET 51 6.872 1.236 -0.658 414 2HB MET 51 2HB MET 51 6.289 2.224 0.688 415 1HG MET 51 1HG MET 51 8.251 1.263 2.042 416 2HG MET 51 2HG MET 51 8.909 0.735 0.486 417 1HE MET 51 1HE MET 51 6.815 3.844 1.496 418 2HE MET 51 2HE MET 51 7.981 3.684 2.840 419 3HE MET 51 3HE MET 51 8.067 5.089 1.748 420 H SER 52 H SER 52 4.339 1.659 2.005 421 HA SER 52 HA SER 52 5.630 1.889 4.622 422 1HB SER 52 1HB SER 52 3.060 3.221 3.761 423 2HB SER 52 2HB SER 52 4.101 3.663 5.124 424 HG SER 52 HG SER 52 5.772 4.042 3.509 425 H LEU 53 H LEU 53 2.096 1.494 4.094 426 HA LEU 53 HA LEU 53 1.986 0.382 6.785 427 1HB LEU 53 1HB LEU 53 -0.158 1.072 4.741 428 2HB LEU 53 2HB LEU 53 -0.471 0.382 6.349 429 HG LEU 53 HG LEU 53 -0.575 2.617 6.914 430 1HD1 LEU 53 1HD2 LEU 53 2.389 1.967 6.863 431 2HD1 LEU 53 2HD2 LEU 53 1.643 3.233 7.884 432 3HD1 LEU 53 3HD2 LEU 53 1.250 1.500 8.149 433 1HD2 LEU 53 1HD1 LEU 53 1.654 3.169 4.903 434 2HD2 LEU 53 2HD1 LEU 53 -0.070 3.515 4.652 435 3HD2 LEU 53 3HD1 LEU 53 0.837 4.389 5.911 436 H ALA 54 H ALA 54 0.897 -0.734 3.689 437 HA ALA 54 HA ALA 54 -0.096 -3.289 4.422 438 1HB ALA 54 1HB ALA 54 -0.745 -2.050 2.387 439 2HB ALA 54 2HB ALA 54 0.906 -2.225 1.758 440 3HB ALA 54 3HB ALA 54 -0.116 -3.659 1.974 441 H VAL 55 H VAL 55 3.225 -2.239 3.828 442 HA VAL 55 HA VAL 55 4.282 -4.869 3.415 443 HB VAL 55 HB VAL 55 5.382 -2.658 2.878 444 1HG1 VAL 55 1HG2 VAL 55 4.929 -1.551 5.062 445 2HG1 VAL 55 2HG2 VAL 55 6.003 -2.720 5.865 446 3HG1 VAL 55 3HG2 VAL 55 6.662 -1.570 4.676 447 1HG2 VAL 55 1HG1 VAL 55 6.926 -4.659 4.568 448 2HG2 VAL 55 2HG1 VAL 55 6.606 -4.784 2.824 449 3HG2 VAL 55 3HG1 VAL 55 7.651 -3.479 3.444 450 H SER 56 H SER 56 2.930 -3.427 6.260 451 HA SER 56 HA SER 56 4.800 -4.735 8.025 452 1HB SER 56 1HB SER 56 2.152 -3.464 8.798 453 2HB SER 56 2HB SER 56 3.597 -3.657 9.798 454 HG SER 56 HG SER 56 3.255 -1.974 7.520 455 H THR 57 H THR 57 4.398 -6.889 6.987 456 HA THR 57 HA THR 57 2.259 -8.482 7.302 457 HB THR 57 HB THR 57 4.939 -9.518 8.195 458 HG1 THR 57 HG1 THR 57 5.078 -9.512 5.649 459 1HG2 THR 57 1HG2 THR 57 4.229 -11.350 6.653 460 2HG2 THR 57 2HG2 THR 57 2.988 -11.018 7.890 461 3HG2 THR 57 3HG2 THR 57 2.776 -10.409 6.230 462 H GLY 58 H GLY 58 0.912 -8.900 8.875 463 1HA GLY 58 1HA GLY 58 0.409 -9.947 10.976 464 2HA GLY 58 2HA GLY 58 1.868 -9.255 11.683 465 H THR 59 H THR 59 0.579 -6.722 9.869 466 HA THR 59 HA THR 59 -0.581 -5.627 12.349 467 HB THR 59 HB THR 59 -0.448 -4.323 9.604 468 HG1 THR 59 HG1 THR 59 1.631 -4.984 10.339 469 1HG2 THR 59 1HG2 THR 59 -0.479 -3.181 12.430 470 2HG2 THR 59 2HG2 THR 59 -0.530 -2.246 10.917 471 3HG2 THR 59 3HG2 THR 59 -1.902 -3.289 11.374 472 H GLU 60 H GLU 60 -2.816 -5.394 12.676 473 HA GLU 60 HA GLU 60 -4.509 -6.738 10.661 474 1HB GLU 60 1HB GLU 60 -6.301 -6.531 12.283 475 2HB GLU 60 2HB GLU 60 -4.887 -7.317 13.010 476 1HG GLU 60 1HG GLU 60 -4.210 -5.162 14.052 477 2HG GLU 60 2HG GLU 60 -5.649 -4.396 13.354 478 H VAL 61 H VAL 61 -4.202 -5.394 9.011 479 HA VAL 61 HA VAL 61 -5.016 -2.554 9.356 480 HB VAL 61 HB VAL 61 -3.753 -2.085 7.365 481 1HG1 VAL 61 1HG1 VAL 61 -2.468 -2.459 9.520 482 2HG1 VAL 61 2HG1 VAL 61 -2.216 -4.144 9.018 483 3HG1 VAL 61 3HG1 VAL 61 -1.509 -2.819 8.059 484 1HG2 VAL 61 1HG2 VAL 61 -4.321 -4.176 6.133 485 2HG2 VAL 61 2HG2 VAL 61 -2.564 -3.830 6.134 486 3HG2 VAL 61 3HG2 VAL 61 -3.229 -5.078 7.224 487 H THR 62 H THR 62 -6.810 -1.775 8.494 488 HA THR 62 HA THR 62 -8.631 -3.650 7.249 489 HB THR 62 HB THR 62 -9.128 -0.686 7.395 490 HG1 THR 62 HG1 THR 62 -9.484 -0.823 9.529 491 1HG2 THR 62 1HG2 THR 62 -11.412 -1.490 7.966 492 2HG2 THR 62 2HG2 THR 62 -10.862 -2.201 6.443 493 3HG2 THR 62 3HG2 THR 62 -10.824 -3.170 7.937 494 H LEU 63 H LEU 63 -8.617 -4.154 5.123 495 HA LEU 63 HA LEU 63 -7.334 -2.299 3.262 496 1HB LEU 63 1HB LEU 63 -7.112 -4.844 3.234 497 2HB LEU 63 2HB LEU 63 -8.746 -4.882 2.526 498 HG LEU 63 HG LEU 63 -6.529 -3.093 1.449 499 1HD1 LEU 63 1HD2 LEU 63 -5.703 -5.411 1.544 500 2HD1 LEU 63 2HD2 LEU 63 -7.163 -5.970 0.704 501 3HD1 LEU 63 3HD2 LEU 63 -6.002 -4.914 -0.141 502 1HD2 LEU 63 1HD1 LEU 63 -9.030 -4.336 0.217 503 2HD2 LEU 63 2HD1 LEU 63 -8.820 -2.623 0.660 504 3HD2 LEU 63 3HD1 LEU 63 -7.851 -3.325 -0.656 505 H ILE 64 H ILE 64 -8.335 -0.746 2.411 506 HA ILE 64 HA ILE 64 -11.299 -0.577 2.446 507 HB ILE 64 HB ILE 64 -9.089 1.502 2.131 508 1HG1 ILE 64 1HG1 ILE 64 -11.088 0.999 4.371 509 2HG1 ILE 64 2HG1 ILE 64 -9.323 0.754 4.461 510 1HG2 ILE 64 1HG2 ILE 64 -12.104 1.844 2.209 511 2HG2 ILE 64 2HG2 ILE 64 -10.915 3.171 2.268 512 3HG2 ILE 64 3HG2 ILE 64 -11.042 2.152 0.812 513 1HD1 ILE 64 1HD1 ILE 64 -9.027 3.193 3.916 514 2HD1 ILE 64 2HD1 ILE 64 -10.794 3.380 3.932 515 3HD1 ILE 64 3HD1 ILE 64 -9.932 2.941 5.431 516 H ALA 65 H ALA 65 -12.365 0.139 0.659 517 HA ALA 65 HA ALA 65 -10.900 0.694 -1.801 518 1HB ALA 65 1HB ALA 65 -13.176 -1.328 -1.639 519 2HB ALA 65 2HB ALA 65 -12.453 -0.695 -3.140 520 3HB ALA 65 3HB ALA 65 -11.482 -1.706 -2.039 521 H GLN 66 H GLN 66 -11.523 2.766 -1.847 522 HA GLN 66 HA GLN 66 -14.386 3.310 -1.281 523 1HB GLN 66 1HB GLN 66 -12.635 4.467 0.165 524 2HB GLN 66 2HB GLN 66 -11.955 5.187 -1.307 525 1HG GLN 66 1HG GLN 66 -14.551 5.768 -1.662 526 2HG GLN 66 2HG GLN 66 -14.533 5.750 0.107 527 1HE2 GLN 66 2HE2 GLN 66 -12.260 7.032 0.902 528 2HE2 GLN 66 1HE2 GLN 66 -12.093 8.583 0.111 529 H GLY 67 H GLY 67 -14.450 2.185 -3.477 530 1HA GLY 67 1HA GLY 67 -14.378 4.314 -5.568 531 2HA GLY 67 2HA GLY 67 -13.559 2.786 -5.782 532 H GLU 68 H GLU 68 -14.880 2.935 -7.648 533 HA GLU 68 HA GLU 68 -17.515 2.482 -8.053 534 1HB GLU 68 1HB GLU 68 -16.854 1.422 -10.083 535 2HB GLU 68 2HB GLU 68 -15.537 2.571 -9.715 536 1HG GLU 68 1HG GLU 68 -14.065 0.824 -9.137 537 2HG GLU 68 2HG GLU 68 -15.394 -0.293 -8.793 538 H ASP 69 H ASP 69 -15.097 0.017 -6.932 539 HA ASP 69 HA ASP 69 -17.400 -1.853 -6.591 540 1HB ASP 69 1HB ASP 69 -15.455 -3.571 -6.626 541 2HB ASP 69 2HB ASP 69 -16.146 -3.033 -8.150 542 H GLU 70 H GLU 70 -16.366 0.246 -4.715 543 HA GLU 70 HA GLU 70 -14.462 -0.321 -3.071 544 1HB GLU 70 1HB GLU 70 -15.775 0.730 -1.260 545 2HB GLU 70 2HB GLU 70 -15.845 1.567 -2.809 546 1HG GLU 70 1HG GLU 70 -18.002 1.706 -2.579 547 2HG GLU 70 2HG GLU 70 -18.088 -0.019 -2.981 548 H GLN 71 H GLN 71 -17.638 -1.651 -1.941 549 HA GLN 71 HA GLN 71 -16.623 -3.300 -0.057 550 1HB GLN 71 1HB GLN 71 -19.003 -2.855 -0.493 551 2HB GLN 71 2HB GLN 71 -18.959 -3.979 -1.870 552 1HG GLN 71 1HG GLN 71 -19.848 -5.034 0.202 553 2HG GLN 71 2HG GLN 71 -18.363 -5.832 -0.359 554 1HE2 GLN 71 2HE2 GLN 71 -16.353 -5.431 0.776 555 2HE2 GLN 71 1HE2 GLN 71 -16.429 -4.957 2.473 556 H GLU 72 H GLU 72 -16.862 -4.267 -3.553 557 HA GLU 72 HA GLU 72 -16.014 -7.011 -3.050 558 1HB GLU 72 1HB GLU 72 -17.207 -6.633 -5.083 559 2HB GLU 72 2HB GLU 72 -16.222 -5.207 -5.483 560 1HG GLU 72 1HG GLU 72 -14.252 -6.581 -5.868 561 2HG GLU 72 2HG GLU 72 -15.096 -8.046 -5.355 562 H ALA 73 H ALA 73 -14.496 -3.940 -3.964 563 HA ALA 73 HA ALA 73 -11.960 -4.822 -4.783 564 1HB ALA 73 1HB ALA 73 -13.072 -2.331 -3.455 565 2HB ALA 73 2HB ALA 73 -11.504 -2.406 -4.315 566 3HB ALA 73 3HB ALA 73 -13.044 -2.661 -5.194 567 H LEU 74 H LEU 74 -13.042 -3.366 -1.754 568 HA LEU 74 HA LEU 74 -10.623 -3.846 -0.326 569 1HB LEU 74 1HB LEU 74 -11.893 -2.880 1.548 570 2HB LEU 74 2HB LEU 74 -12.168 -2.024 0.005 571 HG LEU 74 HG LEU 74 -14.194 -3.818 -0.112 572 1HD1 LEU 74 1HD1 LEU 74 -13.860 -2.948 2.789 573 2HD1 LEU 74 2HD1 LEU 74 -15.284 -3.766 2.089 574 3HD1 LEU 74 3HD1 LEU 74 -13.721 -4.625 2.185 575 1HD2 LEU 74 1HD2 LEU 74 -14.082 -1.044 1.164 576 2HD2 LEU 74 2HD2 LEU 74 -14.235 -1.413 -0.562 577 3HD2 LEU 74 3HD2 LEU 74 -15.558 -1.828 0.540 578 H GLU 75 H GLU 75 -13.769 -5.675 -0.422 579 HA GLU 75 HA GLU 75 -12.956 -7.425 1.678 580 1HB GLU 75 1HB GLU 75 -14.772 -8.892 0.934 581 2HB GLU 75 2HB GLU 75 -15.302 -7.201 1.006 582 1HG GLU 75 1HG GLU 75 -14.815 -7.024 -1.449 583 2HG GLU 75 2HG GLU 75 -14.557 -8.786 -1.488 584 H LYS 76 H LYS 76 -12.685 -7.830 -1.942 585 HA LYS 76 HA LYS 76 -11.538 -10.440 -1.540 586 1HB LYS 76 1HB LYS 76 -11.517 -10.682 -3.739 587 2HB LYS 76 2HB LYS 76 -12.602 -9.278 -3.710 588 1HG LYS 76 1HG LYS 76 -10.823 -7.821 -4.393 589 2HG LYS 76 2HG LYS 76 -9.581 -9.046 -4.036 590 1HD LYS 76 1HD LYS 76 -10.498 -10.531 -5.782 591 2HD LYS 76 2HD LYS 76 -11.721 -9.316 -6.199 592 1HE LYS 76 1HE LYS 76 -9.915 -7.713 -6.803 593 2HE LYS 76 2HE LYS 76 -8.692 -8.932 -6.367 594 1HZ LYS 76 1HZ LYS 76 -9.640 -10.337 -8.084 595 2HZ LYS 76 2HZ LYS 76 -10.673 -9.128 -8.519 596 3HZ LYS 76 3HZ LYS 76 -9.041 -8.925 -8.680 597 H LEU 77 H LEU 77 -10.150 -7.176 -1.972 598 HA LEU 77 HA LEU 77 -7.443 -7.895 -2.040 599 1HB LEU 77 1HB LEU 77 -9.188 -5.609 -1.705 600 2HB LEU 77 2HB LEU 77 -7.734 -5.443 -0.694 601 HG LEU 77 HG LEU 77 -7.592 -4.642 -3.200 602 1HD1 LEU 77 1HD1 LEU 77 -5.685 -6.607 -1.897 603 2HD1 LEU 77 2HD1 LEU 77 -5.257 -5.424 -3.168 604 3HD1 LEU 77 3HD1 LEU 77 -5.786 -4.853 -1.556 605 1HD2 LEU 77 1HD2 LEU 77 -7.130 -7.663 -3.428 606 2HD2 LEU 77 2HD2 LEU 77 -8.487 -6.801 -4.189 607 3HD2 LEU 77 3HD2 LEU 77 -6.808 -6.465 -4.697 608 H ALA 78 H ALA 78 -9.412 -6.924 0.843 609 HA ALA 78 HA ALA 78 -7.308 -7.419 2.705 610 1HB ALA 78 1HB ALA 78 -9.247 -5.986 3.217 611 2HB ALA 78 2HB ALA 78 -10.319 -7.407 3.108 612 3HB ALA 78 3HB ALA 78 -9.090 -7.305 4.393 613 H ALA 79 H ALA 79 -9.776 -9.543 1.212 614 HA ALA 79 HA ALA 79 -9.329 -11.781 2.937 615 1HB ALA 79 1HB ALA 79 -9.933 -11.640 -0.051 616 2HB ALA 79 2HB ALA 79 -10.126 -13.084 0.974 617 3HB ALA 79 3HB ALA 79 -11.154 -11.651 1.246 618 H TYR 80 H TYR 80 -7.930 -10.822 -0.203 619 HA TYR 80 HA TYR 80 -6.037 -12.770 -0.655 620 1HB TYR 80 1HB TYR 80 -6.722 -10.988 -2.188 621 2HB TYR 80 2HB TYR 80 -5.936 -9.781 -1.159 622 HD1 TYR 80 HD1 TYR 80 -4.996 -13.045 -2.780 623 HD2 TYR 80 HD2 TYR 80 -3.862 -9.006 -1.811 624 HE1 TYR 80 HE1 TYR 80 -2.695 -13.501 -3.581 625 HE2 TYR 80 HE2 TYR 80 -1.539 -9.473 -2.604 626 HH TYR 80 HH TYR 80 -0.491 -12.762 -3.372 627 H VAL 81 H VAL 81 -5.381 -9.622 0.817 628 HA VAL 81 HA VAL 81 -2.699 -9.863 1.472 629 HB VAL 81 HB VAL 81 -3.153 -8.096 3.121 630 1HG1 VAL 81 1HG2 VAL 81 -4.948 -7.964 0.672 631 2HG1 VAL 81 2HG2 VAL 81 -4.365 -6.562 1.610 632 3HG1 VAL 81 3HG2 VAL 81 -3.206 -7.575 0.693 633 1HG2 VAL 81 1HG1 VAL 81 -6.072 -8.857 2.614 634 2HG2 VAL 81 2HG1 VAL 81 -5.182 -9.153 4.111 635 3HG2 VAL 81 3HG1 VAL 81 -5.522 -7.483 3.610 636 H GLN 82 H GLN 82 -5.468 -11.271 3.287 637 HA GLN 82 HA GLN 82 -3.437 -12.046 5.306 638 1HB GLN 82 1HB GLN 82 -5.220 -11.946 6.929 639 2HB GLN 82 2HB GLN 82 -5.275 -10.454 5.979 640 1HG GLN 82 1HG GLN 82 -7.086 -11.534 4.577 641 2HG GLN 82 2HG GLN 82 -6.971 -12.934 5.626 642 1HE2 GLN 82 2HE2 GLN 82 -8.368 -9.940 5.215 643 2HE2 GLN 82 1HE2 GLN 82 -9.054 -9.619 6.819 644 H GLU 83 H GLU 83 -4.479 -13.388 2.619 645 HA GLU 83 HA GLU 83 -5.556 -15.799 3.986 646 1HB GLU 83 1HB GLU 83 -7.017 -16.111 2.148 647 2HB GLU 83 2HB GLU 83 -7.012 -14.354 2.531 648 1HG GLU 83 1HG GLU 83 -5.388 -13.973 0.717 649 2HG GLU 83 2HG GLU 83 -5.387 -15.702 0.325 650 H GLU 84 H GLU 84 -3.007 -14.816 1.670 651 HA GLU 84 HA GLU 84 -2.441 -17.700 1.415 652 1HB GLU 84 1HB GLU 84 -1.512 -17.305 -0.794 653 2HB GLU 84 2HB GLU 84 -3.191 -16.714 -0.785 654 1HG GLU 84 1HG GLU 84 -2.388 -14.415 -0.443 655 2HG GLU 84 2HG GLU 84 -0.761 -15.078 -0.160 656 H VAL 85 H VAL 85 -0.942 -17.990 2.718 657 HA VAL 85 HA VAL 85 0.714 -16.197 4.125 658 HB VAL 85 HB VAL 85 2.198 -18.193 4.660 659 1HG1 VAL 85 1HG1 VAL 85 -0.801 -18.926 4.945 660 2HG1 VAL 85 2HG1 VAL 85 0.546 -19.695 5.821 661 3HG1 VAL 85 3HG1 VAL 85 0.171 -18.008 6.119 662 1HG2 VAL 85 1HG2 VAL 85 2.063 -19.438 2.457 663 2HG2 VAL 85 2HG2 VAL 85 1.688 -20.479 3.834 664 3HG2 VAL 85 3HG2 VAL 85 0.371 -19.869 2.800 Start of MODEL 9 1 1H VAL 2 1H VAL 2 -16.216 6.545 -2.021 2 2H VAL 2 2H VAL 2 -16.693 5.256 -2.991 3 3H VAL 2 3H VAL 2 -17.713 6.578 -2.788 4 HA VAL 2 HA VAL 2 -17.971 6.095 -0.476 5 HB VAL 2 HB VAL 2 -18.460 3.678 -2.267 6 1HG1 VAL 2 1HG1 VAL 2 -19.871 4.671 0.250 7 2HG1 VAL 2 2HG1 VAL 2 -20.366 3.276 -0.737 8 3HG1 VAL 2 3HG1 VAL 2 -18.820 3.236 0.142 9 1HG2 VAL 2 1HG2 VAL 2 -19.342 5.772 -3.256 10 2HG2 VAL 2 2HG2 VAL 2 -20.664 4.722 -2.691 11 3HG2 VAL 2 3HG2 VAL 2 -20.179 6.140 -1.731 12 H GLN 3 H GLN 3 -16.967 5.260 1.371 13 HA GLN 3 HA GLN 3 -14.683 3.479 0.725 14 1HB GLN 3 1HB GLN 3 -14.262 5.856 1.631 15 2HB GLN 3 2HB GLN 3 -14.958 5.264 3.166 16 1HG GLN 3 1HG GLN 3 -13.318 3.317 2.937 17 2HG GLN 3 2HG GLN 3 -12.507 4.255 1.705 18 1HE2 GLN 3 2HE2 GLN 3 -13.717 4.661 5.089 19 2HE2 GLN 3 1HE2 GLN 3 -12.371 5.670 5.583 20 H GLN 4 H GLN 4 -14.644 1.436 1.528 21 HA GLN 4 HA GLN 4 -15.728 1.093 4.243 22 1HB GLN 4 1HB GLN 4 -17.178 0.126 2.044 23 2HB GLN 4 2HB GLN 4 -16.244 -1.282 2.590 24 1HG GLN 4 1HG GLN 4 -18.048 0.457 4.318 25 2HG GLN 4 2HG GLN 4 -18.399 -1.197 3.762 26 1HE2 GLN 4 2HE2 GLN 4 -17.147 -2.977 4.654 27 2HE2 GLN 4 1HE2 GLN 4 -16.040 -2.733 6.021 28 H LYS 5 H LYS 5 -14.631 -0.764 5.357 29 HA LYS 5 HA LYS 5 -12.451 -2.080 3.900 30 1HB LYS 5 1HB LYS 5 -10.979 -1.497 5.966 31 2HB LYS 5 2HB LYS 5 -11.203 -0.322 4.664 32 1HG LYS 5 1HG LYS 5 -11.442 0.946 6.606 33 2HG LYS 5 2HG LYS 5 -13.110 0.684 6.034 34 1HD LYS 5 1HD LYS 5 -13.320 -1.196 7.678 35 2HD LYS 5 2HD LYS 5 -11.642 -0.874 8.196 36 1HE LYS 5 1HE LYS 5 -13.983 1.062 8.407 37 2HE LYS 5 2HE LYS 5 -13.209 0.198 9.749 38 1HZ LYS 5 1HZ LYS 5 -11.159 1.363 9.200 39 2HZ LYS 5 2HZ LYS 5 -11.937 2.198 8.014 40 3HZ LYS 5 3HZ LYS 5 -12.376 2.407 9.586 41 H VAL 6 H VAL 6 -11.567 -3.845 5.038 42 HA VAL 6 HA VAL 6 -13.079 -4.870 7.365 43 HB VAL 6 HB VAL 6 -13.099 -7.146 6.266 44 1HG1 VAL 6 1HG2 VAL 6 -14.674 -4.906 4.933 45 2HG1 VAL 6 2HG2 VAL 6 -15.119 -6.628 4.922 46 3HG1 VAL 6 3HG2 VAL 6 -15.106 -5.720 6.453 47 1HG2 VAL 6 1HG1 VAL 6 -11.445 -6.676 4.472 48 2HG2 VAL 6 2HG1 VAL 6 -13.003 -7.215 3.795 49 3HG2 VAL 6 3HG1 VAL 6 -12.562 -5.490 3.760 50 H GLU 7 H GLU 7 -11.686 -6.270 8.725 51 HA GLU 7 HA GLU 7 -8.926 -5.524 8.067 52 1HB GLU 7 1HB GLU 7 -8.400 -5.755 10.401 53 2HB GLU 7 2HB GLU 7 -9.913 -4.844 10.243 54 1HG GLU 7 1HG GLU 7 -10.407 -6.308 11.975 55 2HG GLU 7 2HG GLU 7 -11.033 -7.224 10.588 56 H VAL 8 H VAL 8 -7.131 -6.863 8.816 57 HA VAL 8 HA VAL 8 -7.490 -9.764 8.404 58 HB VAL 8 HB VAL 8 -6.373 -9.835 6.389 59 1HG1 VAL 8 1HG2 VAL 8 -8.333 -8.384 5.977 60 2HG1 VAL 8 2HG2 VAL 8 -7.307 -6.946 6.234 61 3HG1 VAL 8 3HG2 VAL 8 -6.987 -8.047 4.866 62 1HG2 VAL 8 1HG1 VAL 8 -4.952 -7.240 7.061 63 2HG2 VAL 8 2HG1 VAL 8 -4.288 -8.887 7.200 64 3HG2 VAL 8 3HG1 VAL 8 -4.683 -8.229 5.600 65 H ARG 9 H ARG 9 -5.426 -10.937 9.017 66 HA ARG 9 HA ARG 9 -3.633 -8.958 10.331 67 1HB ARG 9 1HB ARG 9 -4.107 -11.061 11.680 68 2HB ARG 9 2HB ARG 9 -3.032 -11.915 10.511 69 1HG ARG 9 1HG ARG 9 -1.256 -10.253 10.935 70 2HG ARG 9 2HG ARG 9 -2.390 -9.282 11.892 71 1HD ARG 9 1HD ARG 9 -1.116 -10.301 13.501 72 2HD ARG 9 2HD ARG 9 -2.568 -11.318 13.458 73 HE ARG 9 HE ARG 9 -1.226 -12.910 12.048 74 1HH1 ARG 9 2HH1 ARG 9 0.479 -10.438 13.931 75 2HH1 ARG 9 1HH1 ARG 9 1.901 -11.412 14.189 76 1HH2 ARG 9 1HH2 ARG 9 0.701 -14.136 12.254 77 2HH2 ARG 9 2HH2 ARG 9 2.064 -13.518 13.146 78 H LEU 10 H LEU 10 -1.992 -8.276 9.299 79 HA LEU 10 HA LEU 10 -1.705 -8.651 6.552 80 1HB LEU 10 1HB LEU 10 -1.133 -6.770 8.245 81 2HB LEU 10 2HB LEU 10 0.455 -7.544 8.373 82 HG LEU 10 HG LEU 10 0.907 -7.092 6.040 83 1HD1 LEU 10 1HD2 LEU 10 -2.030 -6.263 5.856 84 2HD1 LEU 10 2HD2 LEU 10 -0.821 -6.111 4.556 85 3HD1 LEU 10 3HD2 LEU 10 -1.312 -7.722 5.126 86 1HD2 LEU 10 1HD1 LEU 10 1.012 -5.201 7.651 87 2HD2 LEU 10 2HD1 LEU 10 0.588 -4.651 6.014 88 3HD2 LEU 10 3HD1 LEU 10 -0.675 -4.783 7.266 89 H LYS 11 H LYS 11 -1.530 -11.000 6.387 90 HA LYS 11 HA LYS 11 0.866 -12.389 7.209 91 1HB LYS 11 1HB LYS 11 -1.041 -13.716 6.791 92 2HB LYS 11 2HB LYS 11 -1.432 -12.878 5.282 93 1HG LYS 11 1HG LYS 11 1.027 -14.603 5.481 94 2HG LYS 11 2HG LYS 11 -0.589 -15.226 5.053 95 1HD LYS 11 1HD LYS 11 0.991 -13.084 3.566 96 2HD LYS 11 2HD LYS 11 0.444 -14.654 2.951 97 1HE LYS 11 1HE LYS 11 -1.445 -12.422 3.851 98 2HE LYS 11 2HE LYS 11 -0.969 -12.775 2.155 99 1HZ LYS 11 1HZ LYS 11 -2.335 -14.660 3.873 100 2HZ LYS 11 2HZ LYS 11 -3.014 -13.735 2.666 101 3HZ LYS 11 3HZ LYS 11 -1.879 -14.868 2.302 102 H THR 12 H THR 12 -0.266 -10.829 4.258 103 HA THR 12 HA THR 12 1.924 -11.043 2.502 104 HB THR 12 HB THR 12 1.214 -8.579 1.957 105 HG1 THR 12 HG1 THR 12 -0.982 -9.316 3.624 106 1HG2 THR 12 1HG2 THR 12 -0.988 -10.648 1.717 107 2HG2 THR 12 2HG2 THR 12 -0.820 -9.134 0.786 108 3HG2 THR 12 3HG2 THR 12 0.375 -10.427 0.595 109 H GLY 13 H GLY 13 1.173 -8.347 4.647 110 1HA GLY 13 1HA GLY 13 2.448 -6.714 5.658 111 2HA GLY 13 2HA GLY 13 3.802 -7.854 5.793 112 H LEU 14 H LEU 14 2.170 -7.105 2.872 113 HA LEU 14 HA LEU 14 3.071 -6.665 0.754 114 1HB LEU 14 1HB LEU 14 3.016 -4.092 2.337 115 2HB LEU 14 2HB LEU 14 3.098 -4.221 0.582 116 HG LEU 14 HG LEU 14 0.803 -4.585 2.353 117 1HD1 LEU 14 1HD2 LEU 14 0.932 -3.024 0.444 118 2HD1 LEU 14 2HD2 LEU 14 1.038 -4.403 -0.676 119 3HD1 LEU 14 3HD2 LEU 14 -0.436 -4.150 0.286 120 1HD2 LEU 14 1HD1 LEU 14 1.223 -6.764 0.282 121 2HD2 LEU 14 2HD1 LEU 14 0.987 -6.962 2.033 122 3HD2 LEU 14 3HD1 LEU 14 -0.335 -6.341 1.027 123 H GLN 15 H GLN 15 4.906 -7.993 0.925 124 HA GLN 15 HA GLN 15 7.373 -6.461 1.584 125 1HB GLN 15 1HB GLN 15 6.980 -9.470 1.427 126 2HB GLN 15 2HB GLN 15 8.445 -8.617 1.980 127 1HG GLN 15 1HG GLN 15 7.042 -7.436 3.699 128 2HG GLN 15 2HG GLN 15 5.659 -8.422 3.203 129 1HE2 GLN 15 2HE2 GLN 15 5.270 -10.088 4.527 130 2HE2 GLN 15 1HE2 GLN 15 6.495 -10.970 5.450 131 H ALA 16 H ALA 16 6.641 -9.097 -0.841 132 HA ALA 16 HA ALA 16 8.346 -7.472 -2.667 133 1HB ALA 16 1HB ALA 16 9.671 -9.281 -1.653 134 2HB ALA 16 2HB ALA 16 8.478 -10.476 -2.223 135 3HB ALA 16 3HB ALA 16 9.440 -9.547 -3.398 136 H ARG 17 H ARG 17 5.659 -9.824 -2.358 137 HA ARG 17 HA ARG 17 5.201 -9.273 -5.262 138 1HB ARG 17 1HB ARG 17 4.863 -11.950 -3.881 139 2HB ARG 17 2HB ARG 17 4.429 -11.603 -5.571 140 1HG ARG 17 1HG ARG 17 6.593 -11.844 -6.231 141 2HG ARG 17 2HG ARG 17 7.135 -10.709 -4.972 142 1HD ARG 17 1HD ARG 17 6.543 -13.671 -4.565 143 2HD ARG 17 2HD ARG 17 8.152 -12.905 -4.579 144 HE ARG 17 HE ARG 17 6.507 -11.591 -2.656 145 1HH1 ARG 17 1HH2 ARG 17 8.146 -14.695 -3.095 146 2HH1 ARG 17 2HH2 ARG 17 8.347 -14.953 -1.379 147 1HH2 ARG 17 2HH1 ARG 17 6.736 -11.889 -0.548 148 2HH2 ARG 17 1HH1 ARG 17 7.517 -13.308 0.150 149 HA PRO 18 HA PRO 18 0.789 -10.198 -3.623 150 1HB PRO 18 1HB PRO 18 0.396 -10.751 -0.987 151 2HB PRO 18 2HB PRO 18 0.784 -12.029 -2.192 152 1HG PRO 18 1HG PRO 18 2.758 -10.441 -0.506 153 2HG PRO 18 2HG PRO 18 2.601 -12.209 -0.518 154 1HD PRO 18 1HD PRO 18 4.433 -11.051 -2.054 155 2HD PRO 18 2HD PRO 18 3.375 -12.268 -2.847 156 H ALA 19 H ALA 19 3.130 -8.494 -1.543 157 HA ALA 19 HA ALA 19 1.608 -6.426 -0.567 158 1HB ALA 19 1HB ALA 19 4.122 -6.801 -0.528 159 2HB ALA 19 2HB ALA 19 4.165 -6.212 -2.209 160 3HB ALA 19 3HB ALA 19 3.668 -5.114 -0.894 161 H ALA 20 H ALA 20 3.056 -6.537 -3.835 162 HA ALA 20 HA ALA 20 1.554 -4.129 -4.727 163 1HB ALA 20 1HB ALA 20 3.360 -6.120 -6.205 164 2HB ALA 20 2HB ALA 20 2.728 -4.597 -6.874 165 3HB ALA 20 3HB ALA 20 3.895 -4.560 -5.530 166 H LEU 21 H LEU 21 1.366 -7.681 -4.894 167 HA LEU 21 HA LEU 21 -0.633 -7.873 -6.882 168 1HB LEU 21 1HB LEU 21 0.632 -9.676 -5.520 169 2HB LEU 21 2HB LEU 21 -0.714 -9.566 -4.372 170 HG LEU 21 HG LEU 21 -1.162 -9.901 -7.365 171 1HD1 LEU 21 1HD1 LEU 21 -0.871 -12.086 -5.271 172 2HD1 LEU 21 2HD1 LEU 21 -1.406 -12.327 -6.952 173 3HD1 LEU 21 3HD1 LEU 21 0.250 -11.767 -6.615 174 1HD2 LEU 21 1HD2 LEU 21 -3.088 -9.178 -5.972 175 2HD2 LEU 21 2HD2 LEU 21 -3.332 -10.820 -6.609 176 3HD2 LEU 21 3HD2 LEU 21 -2.846 -10.585 -4.914 177 H PHE 22 H PHE 22 -0.896 -7.435 -3.413 178 HA PHE 22 HA PHE 22 -3.598 -6.945 -2.872 179 1HB PHE 22 1HB PHE 22 -1.897 -7.123 -1.213 180 2HB PHE 22 2HB PHE 22 -0.933 -5.849 -1.937 181 HD1 PHE 22 HD1 PHE 22 -1.808 -3.436 -1.925 182 HD2 PHE 22 HD2 PHE 22 -3.110 -6.552 0.733 183 HE1 PHE 22 HE1 PHE 22 -2.192 -1.755 -0.183 184 HE2 PHE 22 HE2 PHE 22 -3.486 -4.864 2.517 185 HZ PHE 22 HZ PHE 22 -3.040 -2.456 2.071 186 H VAL 23 H VAL 23 -1.076 -4.454 -3.514 187 HA VAL 23 HA VAL 23 -2.883 -2.332 -3.712 188 HB VAL 23 HB VAL 23 -1.077 -1.052 -4.328 189 1HG1 VAL 23 1HG1 VAL 23 -0.413 -2.194 -2.340 190 2HG1 VAL 23 2HG1 VAL 23 0.343 -3.489 -3.297 191 3HG1 VAL 23 3HG1 VAL 23 0.974 -1.827 -3.374 192 1HG2 VAL 23 1HG2 VAL 23 -1.013 -1.872 -6.529 193 2HG2 VAL 23 2HG2 VAL 23 0.636 -1.643 -5.902 194 3HG2 VAL 23 3HG2 VAL 23 -0.090 -3.294 -6.033 195 H GLN 24 H GLN 24 -1.738 -4.551 -6.220 196 HA GLN 24 HA GLN 24 -2.779 -2.994 -8.407 197 1HB GLN 24 1HB GLN 24 -2.006 -4.750 -9.845 198 2HB GLN 24 2HB GLN 24 -0.780 -4.382 -8.621 199 1HG GLN 24 1HG GLN 24 -0.703 -6.674 -8.679 200 2HG GLN 24 2HG GLN 24 -1.820 -6.400 -7.330 201 1HE2 GLN 24 2HE2 GLN 24 -3.448 -7.864 -7.391 202 2HE2 GLN 24 1HE2 GLN 24 -4.188 -8.524 -8.853 203 H GLU 25 H GLU 25 -3.959 -5.736 -6.451 204 HA GLU 25 HA GLU 25 -6.186 -6.112 -8.272 205 1HB GLU 25 1HB GLU 25 -7.106 -7.534 -6.346 206 2HB GLU 25 2HB GLU 25 -5.526 -8.054 -6.964 207 1HG GLU 25 1HG GLU 25 -4.397 -6.812 -5.150 208 2HG GLU 25 2HG GLU 25 -5.966 -6.335 -4.496 209 H ALA 26 H ALA 26 -5.651 -4.489 -5.150 210 HA ALA 26 HA ALA 26 -8.160 -3.338 -4.691 211 1HB ALA 26 1HB ALA 26 -5.385 -2.107 -4.519 212 2HB ALA 26 2HB ALA 26 -6.833 -1.493 -3.682 213 3HB ALA 26 3HB ALA 26 -6.157 -3.088 -3.246 214 H ASN 27 H ASN 27 -5.409 -2.069 -6.587 215 HA ASN 27 HA ASN 27 -6.499 0.104 -7.889 216 1HB ASN 27 1HB ASN 27 -4.399 -1.951 -8.267 217 2HB ASN 27 2HB ASN 27 -4.935 -1.233 -9.781 218 1HD2 ASN 27 2HD2 ASN 27 -2.813 -0.895 -7.235 219 2HD2 ASN 27 1HD2 ASN 27 -2.332 0.777 -7.414 220 H ARG 28 H ARG 28 -6.558 -3.311 -8.878 221 HA ARG 28 HA ARG 28 -7.663 -3.078 -11.455 222 1HB ARG 28 1HB ARG 28 -7.669 -5.273 -9.377 223 2HB ARG 28 2HB ARG 28 -8.363 -5.497 -11.004 224 1HG ARG 28 1HG ARG 28 -6.262 -5.055 -12.083 225 2HG ARG 28 2HG ARG 28 -5.574 -4.414 -10.578 226 1HD ARG 28 1HD ARG 28 -4.645 -6.601 -10.985 227 2HD ARG 28 2HD ARG 28 -5.659 -6.634 -9.539 228 HE ARG 28 HE ARG 28 -7.459 -7.506 -11.248 229 1HH1 ARG 28 1HH2 ARG 28 -3.981 -8.205 -11.279 230 2HH1 ARG 28 2HH2 ARG 28 -4.160 -9.770 -12.019 231 1HH2 ARG 28 2HH1 ARG 28 -7.696 -9.566 -12.233 232 2HH2 ARG 28 1HH1 ARG 28 -6.303 -10.556 -12.572 233 H PHE 29 H PHE 29 -9.258 -2.712 -8.349 234 HA PHE 29 HA PHE 29 -11.900 -3.112 -9.543 235 1HB PHE 29 1HB PHE 29 -11.044 -1.744 -6.969 236 2HB PHE 29 2HB PHE 29 -12.707 -2.192 -7.405 237 HD1 PHE 29 HD1 PHE 29 -9.531 -3.189 -6.030 238 HD2 PHE 29 HD2 PHE 29 -13.237 -4.727 -7.561 239 HE1 PHE 29 HE1 PHE 29 -9.158 -5.313 -4.771 240 HE2 PHE 29 HE2 PHE 29 -12.868 -6.856 -6.318 241 HZ PHE 29 HZ PHE 29 -10.875 -7.118 -4.871 242 H THR 30 H THR 30 -11.309 -0.184 -7.711 243 HA THR 30 HA THR 30 -10.937 1.610 -9.955 244 HB THR 30 HB THR 30 -13.176 2.759 -9.295 245 HG1 THR 30 HG1 THR 30 -13.900 0.082 -8.676 246 1HG2 THR 30 1HG2 THR 30 -14.479 1.393 -10.931 247 2HG2 THR 30 2HG2 THR 30 -12.847 1.807 -11.506 248 3HG2 THR 30 3HG2 THR 30 -13.174 0.172 -10.894 249 H SER 31 H SER 31 -12.549 1.358 -6.907 250 HA SER 31 HA SER 31 -12.457 3.353 -5.385 251 1HB SER 31 1HB SER 31 -11.201 0.774 -4.431 252 2HB SER 31 2HB SER 31 -12.336 1.825 -3.551 253 HG SER 31 HG SER 31 -13.246 -0.132 -4.573 254 H ASP 32 H ASP 32 -11.439 4.512 -3.934 255 HA ASP 32 HA ASP 32 -8.523 4.859 -4.106 256 1HB ASP 32 1HB ASP 32 -10.634 5.983 -2.221 257 2HB ASP 32 2HB ASP 32 -8.934 6.475 -2.245 258 H VAL 33 H VAL 33 -8.140 2.592 -3.650 259 HA VAL 33 HA VAL 33 -9.106 1.333 -1.298 260 HB VAL 33 HB VAL 33 -6.802 0.733 -3.178 261 1HG1 VAL 33 1HG1 VAL 33 -8.132 -1.029 -1.074 262 2HG1 VAL 33 2HG1 VAL 33 -6.914 -1.561 -2.269 263 3HG1 VAL 33 3HG1 VAL 33 -6.474 -0.374 -1.021 264 1HG2 VAL 33 1HG2 VAL 33 -9.085 0.944 -4.115 265 2HG2 VAL 33 2HG2 VAL 33 -8.547 -0.750 -4.177 266 3HG2 VAL 33 3HG2 VAL 33 -9.699 -0.211 -2.921 267 H PHE 34 H PHE 34 -8.048 0.751 0.642 268 HA PHE 34 HA PHE 34 -5.691 2.391 1.318 269 1HB PHE 34 1HB PHE 34 -8.320 2.616 2.828 270 2HB PHE 34 2HB PHE 34 -6.754 3.226 3.357 271 HD1 PHE 34 HD1 PHE 34 -5.521 4.566 1.288 272 HD2 PHE 34 HD2 PHE 34 -9.738 4.363 2.082 273 HE1 PHE 34 HE1 PHE 34 -5.852 6.703 0.042 274 HE2 PHE 34 HE2 PHE 34 -10.072 6.488 0.839 275 HZ PHE 34 HZ PHE 34 -8.139 7.659 -0.179 276 H LEU 35 H LEU 35 -4.642 1.782 3.252 277 HA LEU 35 HA LEU 35 -5.797 -0.580 4.632 278 1HB LEU 35 1HB LEU 35 -3.884 -1.499 3.293 279 2HB LEU 35 2HB LEU 35 -2.813 -0.298 4.080 280 HG LEU 35 HG LEU 35 -3.610 -1.263 6.297 281 1HD1 LEU 35 1HD1 LEU 35 -5.674 -2.333 5.390 282 2HD1 LEU 35 2HD1 LEU 35 -4.663 -3.447 4.439 283 3HD1 LEU 35 3HD1 LEU 35 -4.631 -3.515 6.218 284 1HD2 LEU 35 1HD2 LEU 35 -1.435 -1.873 5.290 285 2HD2 LEU 35 2HD2 LEU 35 -2.163 -3.251 6.152 286 3HD2 LEU 35 3HD2 LEU 35 -2.227 -3.176 4.372 287 H GLU 36 H GLU 36 -6.122 0.025 6.670 288 HA GLU 36 HA GLU 36 -4.411 2.214 7.745 289 1HB GLU 36 1HB GLU 36 -6.802 2.231 9.221 290 2HB GLU 36 2HB GLU 36 -6.095 3.434 8.167 291 1HG GLU 36 1HG GLU 36 -7.984 3.262 7.054 292 2HG GLU 36 2HG GLU 36 -7.199 1.910 6.262 293 H LYS 37 H LYS 37 -3.060 1.262 9.208 294 HA LYS 37 HA LYS 37 -3.721 -1.343 10.387 295 1HB LYS 37 1HB LYS 37 -1.345 -0.801 9.867 296 2HB LYS 37 2HB LYS 37 -1.483 0.630 10.926 297 1HG LYS 37 1HG LYS 37 -2.242 -0.836 12.754 298 2HG LYS 37 2HG LYS 37 -1.733 -2.225 11.764 299 1HD LYS 37 1HD LYS 37 0.073 0.088 12.618 300 2HD LYS 37 2HD LYS 37 0.001 -1.471 13.464 301 1HE LYS 37 1HE LYS 37 0.757 -2.664 11.482 302 2HE LYS 37 2HE LYS 37 0.693 -1.175 10.511 303 1HZ LYS 37 1HZ LYS 37 2.378 -0.264 11.975 304 2HZ LYS 37 2HZ LYS 37 2.492 -1.710 12.764 305 3HZ LYS 37 3HZ LYS 37 2.875 -1.604 11.158 306 H ASP 38 H ASP 38 -5.493 -1.137 11.659 307 HA ASP 38 HA ASP 38 -6.854 -0.463 13.383 308 1HB ASP 38 1HB ASP 38 -4.229 0.549 14.540 309 2HB ASP 38 2HB ASP 38 -5.738 0.318 15.435 310 H GLY 39 H GLY 39 -6.261 1.469 11.086 311 1HA GLY 39 1HA GLY 39 -7.654 3.572 11.144 312 2HA GLY 39 2HA GLY 39 -6.808 3.928 12.667 313 H LYS 40 H LYS 40 -4.134 2.873 11.523 314 HA LYS 40 HA LYS 40 -3.467 5.437 10.294 315 1HB LYS 40 1HB LYS 40 -1.173 4.703 10.416 316 2HB LYS 40 2HB LYS 40 -2.013 4.327 11.939 317 1HG LYS 40 1HG LYS 40 -2.396 1.993 11.022 318 2HG LYS 40 2HG LYS 40 -1.263 2.416 9.707 319 1HD LYS 40 1HD LYS 40 -0.074 1.286 11.564 320 2HD LYS 40 2HD LYS 40 0.428 3.001 11.538 321 1HE LYS 40 1HE LYS 40 -1.286 3.561 13.198 322 2HE LYS 40 2HE LYS 40 -1.924 1.912 13.150 323 1HZ LYS 40 1HZ LYS 40 0.766 2.680 14.094 324 2HZ LYS 40 2HZ LYS 40 -0.510 2.271 15.055 325 3HZ LYS 40 3HZ LYS 40 0.165 1.143 14.066 326 H LYS 41 H LYS 41 -4.806 5.350 8.563 327 HA LYS 41 HA LYS 41 -4.443 3.259 6.576 328 1HB LYS 41 1HB LYS 41 -6.550 3.553 6.669 329 2HB LYS 41 2HB LYS 41 -6.475 5.146 7.362 330 1HG LYS 41 1HG LYS 41 -6.228 4.361 4.418 331 2HG LYS 41 2HG LYS 41 -7.728 4.913 5.160 332 1HD LYS 41 1HD LYS 41 -6.586 7.070 5.826 333 2HD LYS 41 2HD LYS 41 -5.191 6.579 4.851 334 1HE LYS 41 1HE LYS 41 -6.572 8.034 3.510 335 2HE LYS 41 2HE LYS 41 -6.755 6.394 2.852 336 1HZ LYS 41 1HZ LYS 41 -8.628 7.705 4.706 337 2HZ LYS 41 2HZ LYS 41 -8.832 7.551 3.077 338 3HZ LYS 41 3HZ LYS 41 -8.814 6.211 4.026 339 H VAL 42 H VAL 42 -4.072 3.486 4.487 340 HA VAL 42 HA VAL 42 -3.014 5.971 3.253 341 HB VAL 42 HB VAL 42 -1.033 4.517 2.434 342 1HG1 VAL 42 1HG1 VAL 42 -1.269 5.359 5.352 343 2HG1 VAL 42 2HG1 VAL 42 0.266 5.055 4.499 344 3HG1 VAL 42 3HG1 VAL 42 -0.781 6.400 3.994 345 1HG2 VAL 42 1HG2 VAL 42 -1.993 2.377 3.191 346 2HG2 VAL 42 2HG2 VAL 42 -0.396 2.673 3.928 347 3HG2 VAL 42 3HG2 VAL 42 -1.885 2.923 4.879 348 H ASN 43 H ASN 43 -2.637 5.617 0.866 349 HA ASN 43 HA ASN 43 -4.881 4.142 -0.245 350 1HB ASN 43 1HB ASN 43 -4.069 6.282 -1.226 351 2HB ASN 43 2HB ASN 43 -2.518 5.494 -1.595 352 1HD2 ASN 43 2HD2 ASN 43 -5.951 4.297 -2.001 353 2HD2 ASN 43 1HD2 ASN 43 -5.808 4.203 -3.752 354 H ALA 44 H ALA 44 -4.786 2.184 0.087 355 HA ALA 44 HA ALA 44 -2.764 0.373 0.395 356 1HB ALA 44 1HB ALA 44 -5.201 -0.013 0.806 357 2HB ALA 44 2HB ALA 44 -5.458 -0.044 -0.950 358 3HB ALA 44 3HB ALA 44 -4.503 -1.329 -0.181 359 H LYS 45 H LYS 45 -4.267 1.407 -2.629 360 HA LYS 45 HA LYS 45 -2.910 -0.611 -4.245 361 1HB LYS 45 1HB LYS 45 -3.877 0.662 -6.136 362 2HB LYS 45 2HB LYS 45 -5.083 0.119 -4.954 363 1HG LYS 45 1HG LYS 45 -5.352 2.321 -4.066 364 2HG LYS 45 2HG LYS 45 -3.862 2.899 -4.843 365 1HD LYS 45 1HD LYS 45 -5.796 3.679 -6.163 366 2HD LYS 45 2HD LYS 45 -4.843 2.496 -7.081 367 1HE LYS 45 1HE LYS 45 -6.431 0.700 -6.343 368 2HE LYS 45 2HE LYS 45 -7.474 1.955 -5.630 369 1HZ LYS 45 1HZ LYS 45 -6.665 1.883 -8.447 370 2HZ LYS 45 2HZ LYS 45 -8.108 1.334 -7.863 371 3HZ LYS 45 3HZ LYS 45 -7.739 2.925 -7.743 372 H SER 46 H SER 46 -1.984 2.395 -2.914 373 HA SER 46 HA SER 46 0.131 2.785 -4.977 374 1HB SER 46 1HB SER 46 -1.191 4.638 -2.987 375 2HB SER 46 2HB SER 46 0.436 4.960 -3.617 376 HG SER 46 HG SER 46 -2.025 4.873 -4.961 377 H ILE 47 H ILE 47 2.134 3.657 -4.160 378 HA ILE 47 HA ILE 47 3.774 2.125 -2.729 379 HB ILE 47 HB ILE 47 4.579 3.957 -3.931 380 1HG1 ILE 47 1HG1 ILE 47 5.858 3.339 -1.777 381 2HG1 ILE 47 2HG1 ILE 47 6.256 4.868 -2.587 382 1HG2 ILE 47 1HG2 ILE 47 2.693 5.499 -3.678 383 2HG2 ILE 47 2HG2 ILE 47 3.216 5.863 -2.014 384 3HG2 ILE 47 3HG2 ILE 47 4.251 6.306 -3.387 385 1HD1 ILE 47 1HD1 ILE 47 4.782 6.103 -1.016 386 2HD1 ILE 47 2HD1 ILE 47 4.452 4.591 -0.152 387 3HD1 ILE 47 3HD1 ILE 47 6.098 5.254 -0.171 388 H MET 48 H MET 48 2.217 4.926 -1.069 389 HA MET 48 HA MET 48 3.296 4.050 1.427 390 1HB MET 48 1HB MET 48 2.750 6.395 0.885 391 2HB MET 48 2HB MET 48 1.018 5.998 0.923 392 1HG MET 48 1HG MET 48 1.288 5.221 3.270 393 2HG MET 48 2HG MET 48 3.010 5.630 3.198 394 1HE MET 48 1HE MET 48 2.658 6.899 5.474 395 2HE MET 48 2HE MET 48 1.463 8.198 5.718 396 3HE MET 48 3HE MET 48 0.914 6.526 5.443 397 H GLY 49 H GLY 49 0.350 3.101 -0.242 398 1HA GLY 49 1HA GLY 49 -0.929 2.220 2.238 399 2HA GLY 49 2HA GLY 49 -1.507 1.918 0.562 400 H LEU 50 H LEU 50 0.775 0.832 -0.586 401 HA LEU 50 HA LEU 50 0.796 -1.866 0.294 402 1HB LEU 50 1HB LEU 50 1.021 -1.487 -1.984 403 2HB LEU 50 2HB LEU 50 2.069 -0.083 -1.757 404 HG LEU 50 HG LEU 50 3.988 -1.421 -1.321 405 1HD1 LEU 50 1HD2 LEU 50 2.138 -3.829 -1.457 406 2HD1 LEU 50 2HD2 LEU 50 3.913 -3.880 -1.291 407 3HD1 LEU 50 3HD2 LEU 50 2.918 -3.186 0.002 408 1HD2 LEU 50 1HD1 LEU 50 3.353 -1.106 -3.696 409 2HD2 LEU 50 2HD1 LEU 50 4.164 -2.670 -3.447 410 3HD2 LEU 50 3HD1 LEU 50 2.396 -2.606 -3.635 411 H MET 51 H MET 51 3.554 0.368 -0.075 412 HA MET 51 HA MET 51 5.285 -1.410 1.378 413 1HB MET 51 1HB MET 51 6.002 -0.038 -0.595 414 2HB MET 51 2HB MET 51 5.584 1.429 0.311 415 1HG MET 51 1HG MET 51 7.260 0.596 2.087 416 2HG MET 51 2HG MET 51 7.870 -0.477 0.818 417 1HE MET 51 1HE MET 51 6.269 3.028 0.425 418 2HE MET 51 2HE MET 51 7.193 3.234 1.933 419 3HE MET 51 3HE MET 51 7.673 4.124 0.467 420 H SER 52 H SER 52 3.587 1.675 2.144 421 HA SER 52 HA SER 52 5.178 1.918 4.567 422 1HB SER 52 1HB SER 52 2.644 3.411 3.834 423 2HB SER 52 2HB SER 52 3.868 3.892 5.035 424 HG SER 52 HG SER 52 5.374 3.939 3.222 425 H LEU 53 H LEU 53 1.579 1.637 4.217 426 HA LEU 53 HA LEU 53 1.492 0.716 6.989 427 1HB LEU 53 1HB LEU 53 -0.602 1.265 4.928 428 2HB LEU 53 2HB LEU 53 -0.967 0.493 6.489 429 HG LEU 53 HG LEU 53 -1.226 2.869 6.774 430 1HD1 LEU 53 1HD1 LEU 53 -0.233 1.589 8.638 431 2HD1 LEU 53 2HD1 LEU 53 1.393 1.942 8.005 432 3HD1 LEU 53 3HD1 LEU 53 0.366 3.266 8.603 433 1HD2 LEU 53 1HD2 LEU 53 0.275 3.523 4.874 434 2HD2 LEU 53 2HD2 LEU 53 0.597 4.457 6.368 435 3HD2 LEU 53 3HD2 LEU 53 1.676 3.120 5.894 436 H ALA 54 H ALA 54 0.469 -0.710 3.876 437 HA ALA 54 HA ALA 54 -0.309 -3.212 4.833 438 1HB ALA 54 1HB ALA 54 -0.875 -2.192 2.629 439 2HB ALA 54 2HB ALA 54 0.790 -2.488 2.102 440 3HB ALA 54 3HB ALA 54 -0.271 -3.858 2.480 441 H VAL 55 H VAL 55 2.938 -2.017 4.466 442 HA VAL 55 HA VAL 55 4.199 -4.572 4.234 443 HB VAL 55 HB VAL 55 5.144 -2.238 3.742 444 1HG1 VAL 55 1HG1 VAL 55 4.659 -1.237 5.968 445 2HG1 VAL 55 2HG1 VAL 55 5.747 -2.426 6.730 446 3HG1 VAL 55 3HG1 VAL 55 6.398 -1.212 5.599 447 1HG2 VAL 55 1HG2 VAL 55 6.420 -4.333 3.604 448 2HG2 VAL 55 2HG2 VAL 55 7.429 -3.021 4.266 449 3HG2 VAL 55 3HG2 VAL 55 6.748 -4.260 5.352 450 H SER 56 H SER 56 2.411 -3.280 6.851 451 HA SER 56 HA SER 56 4.170 -4.269 8.897 452 1HB SER 56 1HB SER 56 1.227 -3.512 9.103 453 2HB SER 56 2HB SER 56 2.385 -3.593 10.438 454 HG SER 56 HG SER 56 2.356 -1.780 8.235 455 H THR 57 H THR 57 4.232 -6.470 7.645 456 HA THR 57 HA THR 57 2.382 -8.440 7.832 457 HB THR 57 HB THR 57 5.160 -8.971 8.848 458 HG1 THR 57 HG1 THR 57 5.791 -8.835 6.582 459 1HG2 THR 57 1HG2 THR 57 3.297 -10.240 6.786 460 2HG2 THR 57 2HG2 THR 57 4.857 -10.921 7.322 461 3HG2 THR 57 3HG2 THR 57 3.497 -10.773 8.465 462 H GLY 58 H GLY 58 1.161 -9.259 9.380 463 1HA GLY 58 1HA GLY 58 0.856 -10.397 11.450 464 2HA GLY 58 2HA GLY 58 2.255 -9.540 12.111 465 H THR 59 H THR 59 0.416 -7.092 10.607 466 HA THR 59 HA THR 59 -0.727 -6.512 13.274 467 HB THR 59 HB THR 59 -0.937 -4.711 10.842 468 HG1 THR 59 HG1 THR 59 1.281 -5.335 11.122 469 1HG2 THR 59 1HG2 THR 59 -0.795 -2.976 12.638 470 2HG2 THR 59 2HG2 THR 59 -2.157 -4.091 12.900 471 3HG2 THR 59 3HG2 THR 59 -0.659 -4.267 13.845 472 H GLU 60 H GLU 60 -3.090 -6.208 13.536 473 HA GLU 60 HA GLU 60 -4.589 -7.561 11.374 474 1HB GLU 60 1HB GLU 60 -5.849 -6.327 13.820 475 2HB GLU 60 2HB GLU 60 -6.430 -7.646 12.745 476 1HG GLU 60 1HG GLU 60 -3.928 -7.981 14.420 477 2HG GLU 60 2HG GLU 60 -5.541 -8.329 15.070 478 H VAL 61 H VAL 61 -4.290 -6.211 9.784 479 HA VAL 61 HA VAL 61 -4.667 -3.316 10.081 480 HB VAL 61 HB VAL 61 -4.051 -3.927 7.342 481 1HG1 VAL 61 1HG2 VAL 61 -2.632 -3.074 9.848 482 2HG1 VAL 61 2HG2 VAL 61 -2.101 -2.715 8.163 483 3HG1 VAL 61 3HG2 VAL 61 -3.657 -2.047 8.796 484 1HG2 VAL 61 1HG1 VAL 61 -2.361 -5.340 9.495 485 2HG2 VAL 61 2HG1 VAL 61 -3.169 -6.182 8.162 486 3HG2 VAL 61 3HG1 VAL 61 -1.818 -5.056 7.827 487 H THR 62 H THR 62 -6.040 -2.003 8.781 488 HA THR 62 HA THR 62 -8.301 -3.667 8.072 489 HB THR 62 HB THR 62 -8.653 -0.695 8.212 490 HG1 THR 62 HG1 THR 62 -7.390 -0.994 9.990 491 1HG2 THR 62 1HG2 THR 62 -10.738 -1.414 9.386 492 2HG2 THR 62 2HG2 THR 62 -10.565 -2.199 7.792 493 3HG2 THR 62 3HG2 THR 62 -10.191 -3.103 9.283 494 H LEU 63 H LEU 63 -8.811 -4.004 5.936 495 HA LEU 63 HA LEU 63 -7.431 -2.193 4.058 496 1HB LEU 63 1HB LEU 63 -7.198 -4.817 4.164 497 2HB LEU 63 2HB LEU 63 -8.645 -4.766 3.121 498 HG LEU 63 HG LEU 63 -6.139 -3.070 2.676 499 1HD1 LEU 63 1HD2 LEU 63 -5.558 -5.455 2.630 500 2HD1 LEU 63 2HD2 LEU 63 -6.877 -5.761 1.477 501 3HD1 LEU 63 3HD2 LEU 63 -5.486 -4.757 0.995 502 1HD2 LEU 63 1HD1 LEU 63 -8.446 -3.869 0.849 503 2HD2 LEU 63 2HD1 LEU 63 -8.170 -2.253 1.541 504 3HD2 LEU 63 3HD1 LEU 63 -7.025 -2.920 0.357 505 H ILE 64 H ILE 64 -8.481 -0.711 3.227 506 HA ILE 64 HA ILE 64 -11.429 -0.626 2.989 507 HB ILE 64 HB ILE 64 -9.186 1.447 2.804 508 1HG1 ILE 64 1HG1 ILE 64 -11.439 1.169 4.820 509 2HG1 ILE 64 2HG1 ILE 64 -9.730 0.770 5.114 510 1HG2 ILE 64 1HG2 ILE 64 -12.188 1.868 2.581 511 2HG2 ILE 64 2HG2 ILE 64 -10.963 3.158 2.672 512 3HG2 ILE 64 3HG2 ILE 64 -11.001 2.062 1.269 513 1HD1 ILE 64 1HD1 ILE 64 -9.095 3.113 4.600 514 2HD1 ILE 64 2HD1 ILE 64 -10.820 3.519 4.365 515 3HD1 ILE 64 3HD1 ILE 64 -10.234 3.008 5.973 516 H ALA 65 H ALA 65 -12.296 0.072 1.081 517 HA ALA 65 HA ALA 65 -10.573 0.714 -1.204 518 1HB ALA 65 1HB ALA 65 -12.883 -1.269 -1.325 519 2HB ALA 65 2HB ALA 65 -12.010 -0.609 -2.729 520 3HB ALA 65 3HB ALA 65 -11.167 -1.678 -1.577 521 H GLN 66 H GLN 66 -11.187 2.830 -1.314 522 HA GLN 66 HA GLN 66 -14.075 3.211 -0.802 523 1HB GLN 66 1HB GLN 66 -13.553 5.101 0.422 524 2HB GLN 66 2HB GLN 66 -12.098 4.168 0.648 525 1HG GLN 66 1HG GLN 66 -10.750 5.587 -0.427 526 2HG GLN 66 2HG GLN 66 -11.919 5.836 -1.732 527 1HE2 GLN 66 2HE2 GLN 66 -11.647 6.725 1.815 528 2HE2 GLN 66 1HE2 GLN 66 -12.270 8.333 1.519 529 H GLY 67 H GLY 67 -14.379 2.410 -2.950 530 1HA GLY 67 1HA GLY 67 -14.536 4.678 -4.791 531 2HA GLY 67 2HA GLY 67 -13.512 3.340 -5.331 532 H GLU 68 H GLU 68 -14.920 3.094 -7.059 533 HA GLU 68 HA GLU 68 -17.670 2.513 -6.982 534 1HB GLU 68 1HB GLU 68 -15.505 1.518 -8.888 535 2HB GLU 68 2HB GLU 68 -17.263 1.526 -9.189 536 1HG GLU 68 1HG GLU 68 -16.903 3.584 -10.056 537 2HG GLU 68 2HG GLU 68 -16.816 4.092 -8.337 538 H ASP 69 H ASP 69 -14.815 0.411 -6.425 539 HA ASP 69 HA ASP 69 -16.764 -1.789 -5.819 540 1HB ASP 69 1HB ASP 69 -13.784 -2.027 -6.311 541 2HB ASP 69 2HB ASP 69 -14.928 -3.348 -6.090 542 H GLU 70 H GLU 70 -16.710 0.212 -3.863 543 HA GLU 70 HA GLU 70 -14.435 0.114 -2.250 544 1HB GLU 70 1HB GLU 70 -15.927 1.019 -0.494 545 2HB GLU 70 2HB GLU 70 -15.976 1.875 -2.031 546 1HG GLU 70 1HG GLU 70 -18.165 1.827 -1.894 547 2HG GLU 70 2HG GLU 70 -18.091 0.104 -2.313 548 H GLN 71 H GLN 71 -17.525 -1.510 -1.329 549 HA GLN 71 HA GLN 71 -16.381 -3.293 0.458 550 1HB GLN 71 1HB GLN 71 -18.875 -3.214 -1.195 551 2HB GLN 71 2HB GLN 71 -18.423 -4.778 -0.480 552 1HG GLN 71 1HG GLN 71 -18.654 -2.184 1.081 553 2HG GLN 71 2HG GLN 71 -19.874 -3.469 1.038 554 1HE2 GLN 71 2HE2 GLN 71 -17.308 -5.400 0.839 555 2HE2 GLN 71 1HE2 GLN 71 -16.968 -5.616 2.542 556 H GLU 72 H GLU 72 -16.677 -3.665 -3.054 557 HA GLU 72 HA GLU 72 -16.035 -6.432 -3.177 558 1HB GLU 72 1HB GLU 72 -17.097 -5.324 -5.045 559 2HB GLU 72 2HB GLU 72 -15.851 -4.059 -5.081 560 1HG GLU 72 1HG GLU 72 -15.601 -5.585 -6.960 561 2HG GLU 72 2HG GLU 72 -14.194 -5.638 -5.880 562 H ALA 73 H ALA 73 -14.061 -3.469 -3.540 563 HA ALA 73 HA ALA 73 -11.618 -4.816 -4.127 564 1HB ALA 73 1HB ALA 73 -12.421 -2.061 -3.178 565 2HB ALA 73 2HB ALA 73 -10.767 -2.465 -3.747 566 3HB ALA 73 3HB ALA 73 -12.180 -2.579 -4.845 567 H LEU 74 H LEU 74 -12.968 -3.244 -1.225 568 HA LEU 74 HA LEU 74 -10.760 -3.709 0.473 569 1HB LEU 74 1HB LEU 74 -12.302 -3.094 2.264 570 2HB LEU 74 2HB LEU 74 -12.531 -2.086 0.812 571 HG LEU 74 HG LEU 74 -14.372 -3.795 0.167 572 1HD1 LEU 74 1HD1 LEU 74 -14.272 -4.065 3.198 573 2HD1 LEU 74 2HD1 LEU 74 -15.576 -4.646 2.130 574 3HD1 LEU 74 3HD1 LEU 74 -13.954 -5.372 2.016 575 1HD2 LEU 74 1HD2 LEU 74 -14.673 -1.410 0.663 576 2HD2 LEU 74 2HD2 LEU 74 -16.015 -2.378 1.298 577 3HD2 LEU 74 3HD2 LEU 74 -14.752 -1.774 2.403 578 H GLU 75 H GLU 75 -13.666 -5.767 -0.191 579 HA GLU 75 HA GLU 75 -12.931 -7.759 1.704 580 1HB GLU 75 1HB GLU 75 -14.539 -7.982 -0.863 581 2HB GLU 75 2HB GLU 75 -14.393 -9.250 0.379 582 1HG GLU 75 1HG GLU 75 -15.512 -6.461 0.804 583 2HG GLU 75 2HG GLU 75 -16.459 -7.957 0.707 584 H LYS 76 H LYS 76 -12.322 -7.704 -1.894 585 HA LYS 76 HA LYS 76 -10.914 -10.163 -1.887 586 1HB LYS 76 1HB LYS 76 -10.176 -7.809 -3.657 587 2HB LYS 76 2HB LYS 76 -9.964 -9.545 -3.970 588 1HG LYS 76 1HG LYS 76 -12.638 -9.492 -3.553 589 2HG LYS 76 2HG LYS 76 -12.403 -7.840 -4.143 590 1HD LYS 76 1HD LYS 76 -11.824 -10.522 -5.477 591 2HD LYS 76 2HD LYS 76 -12.814 -9.189 -6.101 592 1HE LYS 76 1HE LYS 76 -10.710 -7.861 -6.459 593 2HE LYS 76 2HE LYS 76 -9.757 -9.216 -5.819 594 1HZ LYS 76 1HZ LYS 76 -11.480 -9.280 -8.197 595 2HZ LYS 76 2HZ LYS 76 -9.835 -9.193 -8.198 596 3HZ LYS 76 3HZ LYS 76 -10.587 -10.544 -7.625 597 H LEU 77 H LEU 77 -9.676 -6.837 -1.543 598 HA LEU 77 HA LEU 77 -6.932 -7.466 -1.228 599 1HB LEU 77 1HB LEU 77 -8.793 -5.236 -0.556 600 2HB LEU 77 2HB LEU 77 -7.184 -5.246 0.216 601 HG LEU 77 HG LEU 77 -7.482 -4.060 -2.135 602 1HD1 LEU 77 1HD1 LEU 77 -5.442 -4.336 -0.749 603 2HD1 LEU 77 2HD1 LEU 77 -5.265 -5.997 -1.383 604 3HD1 LEU 77 3HD1 LEU 77 -5.099 -4.606 -2.485 605 1HD2 LEU 77 1HD2 LEU 77 -8.310 -6.160 -3.309 606 2HD2 LEU 77 2HD2 LEU 77 -6.747 -5.572 -3.948 607 3HD2 LEU 77 3HD2 LEU 77 -6.786 -6.949 -2.837 608 H ALA 78 H ALA 78 -9.349 -6.843 1.441 609 HA ALA 78 HA ALA 78 -7.478 -7.542 3.475 610 1HB ALA 78 1HB ALA 78 -9.468 -6.223 3.979 611 2HB ALA 78 2HB ALA 78 -10.508 -7.615 3.571 612 3HB ALA 78 3HB ALA 78 -9.407 -7.692 4.967 613 H ALA 79 H ALA 79 -9.470 -9.575 1.354 614 HA ALA 79 HA ALA 79 -9.077 -11.970 2.902 615 1HB ALA 79 1HB ALA 79 -10.687 -11.682 0.980 616 2HB ALA 79 2HB ALA 79 -9.271 -11.573 -0.111 617 3HB ALA 79 3HB ALA 79 -9.600 -13.086 0.776 618 H TYR 80 H TYR 80 -7.390 -10.526 0.081 619 HA TYR 80 HA TYR 80 -5.508 -12.625 -0.231 620 1HB TYR 80 1HB TYR 80 -6.315 -11.003 -1.902 621 2HB TYR 80 2HB TYR 80 -5.346 -9.738 -1.124 622 HD1 TYR 80 HD1 TYR 80 -3.274 -9.297 -2.055 623 HD2 TYR 80 HD2 TYR 80 -4.837 -13.300 -2.224 624 HE1 TYR 80 HE1 TYR 80 -1.079 -10.120 -2.904 625 HE2 TYR 80 HE2 TYR 80 -2.672 -14.122 -3.100 626 HH TYR 80 HH TYR 80 -0.534 -13.592 -3.621 627 H VAL 81 H VAL 81 -5.287 -9.549 1.485 628 HA VAL 81 HA VAL 81 -2.563 -9.433 2.107 629 HB VAL 81 HB VAL 81 -3.371 -8.194 4.143 630 1HG1 VAL 81 1HG1 VAL 81 -4.971 -7.718 1.607 631 2HG1 VAL 81 2HG1 VAL 81 -4.773 -6.546 2.935 632 3HG1 VAL 81 3HG1 VAL 81 -3.353 -7.054 1.971 633 1HG2 VAL 81 1HG2 VAL 81 -6.063 -9.260 3.158 634 2HG2 VAL 81 2HG2 VAL 81 -5.237 -9.761 4.640 635 3HG2 VAL 81 3HG2 VAL 81 -5.843 -8.100 4.492 636 H GLN 82 H GLN 82 -5.060 -11.545 3.551 637 HA GLN 82 HA GLN 82 -3.075 -12.270 5.657 638 1HB GLN 82 1HB GLN 82 -4.971 -12.136 7.199 639 2HB GLN 82 2HB GLN 82 -4.888 -10.652 6.250 640 1HG GLN 82 1HG GLN 82 -6.765 -11.454 4.879 641 2HG GLN 82 2HG GLN 82 -6.621 -13.055 5.583 642 1HE2 GLN 82 2HE2 GLN 82 -8.504 -10.609 5.627 643 2HE2 GLN 82 1HE2 GLN 82 -9.065 -10.412 7.287 644 H GLU 83 H GLU 83 -5.467 -13.536 3.377 645 HA GLU 83 HA GLU 83 -6.274 -15.718 4.947 646 1HB GLU 83 1HB GLU 83 -7.635 -16.271 3.252 647 2HB GLU 83 2HB GLU 83 -7.324 -14.553 2.906 648 1HG GLU 83 1HG GLU 83 -5.821 -16.866 1.581 649 2HG GLU 83 2HG GLU 83 -7.328 -16.196 0.932 650 H GLU 84 H GLU 84 -3.734 -15.766 2.377 651 HA GLU 84 HA GLU 84 -3.149 -18.547 3.231 652 1HB GLU 84 1HB GLU 84 -1.817 -18.539 1.075 653 2HB GLU 84 2HB GLU 84 -3.555 -18.304 0.857 654 1HG GLU 84 1HG GLU 84 -3.299 -15.947 0.486 655 2HG GLU 84 2HG GLU 84 -1.598 -15.948 0.983 656 H VAL 85 H VAL 85 -0.445 -17.719 1.784 657 HA VAL 85 HA VAL 85 0.817 -16.038 3.823 658 HB VAL 85 HB VAL 85 1.285 -18.183 4.905 659 1HG1 VAL 85 1HG1 VAL 85 2.230 -19.396 2.213 660 2HG1 VAL 85 2HG1 VAL 85 2.387 -20.165 3.812 661 3HG1 VAL 85 3HG1 VAL 85 0.791 -19.888 3.138 662 1HG2 VAL 85 1HG2 VAL 85 3.329 -16.697 4.695 663 2HG2 VAL 85 2HG2 VAL 85 3.756 -18.410 4.771 664 3HG2 VAL 85 3HG2 VAL 85 3.802 -17.553 3.209 Start of MODEL 10 1 1H VAL 2 1H VAL 2 -19.062 4.611 0.547 2 2H VAL 2 2H VAL 2 -18.412 6.158 0.664 3 3H VAL 2 3H VAL 2 -19.757 5.882 -0.308 4 HA VAL 2 HA VAL 2 -18.507 4.502 -1.756 5 HB VAL 2 HB VAL 2 -17.125 7.166 -1.255 6 1HG1 VAL 2 1HG2 VAL 2 -15.944 5.636 -2.825 7 2HG1 VAL 2 2HG2 VAL 2 -17.445 5.442 -3.756 8 3HG1 VAL 2 3HG2 VAL 2 -16.645 7.029 -3.683 9 1HG2 VAL 2 1HG1 VAL 2 -19.547 6.445 -2.963 10 2HG2 VAL 2 2HG1 VAL 2 -19.589 7.400 -1.462 11 3HG2 VAL 2 3HG1 VAL 2 -18.759 8.038 -2.902 12 H GLN 3 H GLN 3 -16.671 5.647 1.105 13 HA GLN 3 HA GLN 3 -14.423 3.937 0.262 14 1HB GLN 3 1HB GLN 3 -14.117 6.267 1.274 15 2HB GLN 3 2HB GLN 3 -14.663 5.570 2.817 16 1HG GLN 3 1HG GLN 3 -12.817 3.941 2.728 17 2HG GLN 3 2HG GLN 3 -12.284 4.575 1.165 18 1HE2 GLN 3 2HE2 GLN 3 -12.379 7.364 1.485 19 2HE2 GLN 3 1HE2 GLN 3 -11.334 7.800 2.815 20 H GLN 4 H GLN 4 -14.600 1.808 0.680 21 HA GLN 4 HA GLN 4 -15.923 1.036 3.262 22 1HB GLN 4 1HB GLN 4 -15.861 -0.353 0.546 23 2HB GLN 4 2HB GLN 4 -16.525 -1.085 2.023 24 1HG GLN 4 1HG GLN 4 -17.509 1.546 0.850 25 2HG GLN 4 2HG GLN 4 -18.260 -0.032 0.531 26 1HE2 GLN 4 2HE2 GLN 4 -18.417 -1.362 2.833 27 2HE2 GLN 4 1HE2 GLN 4 -19.250 -0.432 4.065 28 H LYS 5 H LYS 5 -14.695 -0.584 4.571 29 HA LYS 5 HA LYS 5 -12.379 -1.740 3.204 30 1HB LYS 5 1HB LYS 5 -10.992 -0.897 5.262 31 2HB LYS 5 2HB LYS 5 -11.279 0.131 3.851 32 1HG LYS 5 1HG LYS 5 -11.634 1.509 5.752 33 2HG LYS 5 2HG LYS 5 -13.227 1.171 5.030 34 1HD LYS 5 1HD LYS 5 -13.506 -0.679 6.751 35 2HD LYS 5 2HD LYS 5 -11.958 -0.145 7.463 36 1HE LYS 5 1HE LYS 5 -14.425 1.613 7.154 37 2HE LYS 5 2HE LYS 5 -13.881 0.846 8.659 38 1HZ LYS 5 1HZ LYS 5 -11.826 2.078 8.452 39 2HZ LYS 5 2HZ LYS 5 -12.374 2.827 7.095 40 3HZ LYS 5 3HZ LYS 5 -13.126 3.089 8.537 41 H VAL 6 H VAL 6 -11.572 -3.560 4.145 42 HA VAL 6 HA VAL 6 -13.022 -4.552 6.546 43 HB VAL 6 HB VAL 6 -13.016 -6.821 5.564 44 1HG1 VAL 6 1HG2 VAL 6 -15.000 -5.362 5.324 45 2HG1 VAL 6 2HG2 VAL 6 -14.334 -4.710 3.809 46 3HG1 VAL 6 3HG2 VAL 6 -14.811 -6.424 3.906 47 1HG2 VAL 6 1HG1 VAL 6 -11.108 -6.515 4.004 48 2HG2 VAL 6 2HG1 VAL 6 -12.557 -7.128 3.168 49 3HG2 VAL 6 3HG1 VAL 6 -12.098 -5.414 3.023 50 H GLU 7 H GLU 7 -11.627 -5.295 8.133 51 HA GLU 7 HA GLU 7 -8.802 -4.924 7.469 52 1HB GLU 7 1HB GLU 7 -9.726 -3.814 9.440 53 2HB GLU 7 2HB GLU 7 -10.140 -5.380 10.182 54 1HG GLU 7 1HG GLU 7 -7.832 -5.926 10.477 55 2HG GLU 7 2HG GLU 7 -7.317 -4.700 9.302 56 H VAL 8 H VAL 8 -7.177 -6.289 8.109 57 HA VAL 8 HA VAL 8 -7.708 -9.172 8.432 58 HB VAL 8 HB VAL 8 -7.708 -9.412 6.163 59 1HG1 VAL 8 1HG2 VAL 8 -8.084 -6.984 5.797 60 2HG1 VAL 8 2HG2 VAL 8 -6.319 -6.724 5.850 61 3HG1 VAL 8 3HG2 VAL 8 -7.030 -7.714 4.548 62 1HG2 VAL 8 1HG1 VAL 8 -5.379 -10.117 6.747 63 2HG2 VAL 8 2HG1 VAL 8 -5.567 -9.544 5.071 64 3HG2 VAL 8 3HG1 VAL 8 -4.819 -8.490 6.299 65 H ARG 9 H ARG 9 -5.481 -10.307 8.723 66 HA ARG 9 HA ARG 9 -3.621 -8.176 9.663 67 1HB ARG 9 1HB ARG 9 -4.344 -9.787 11.457 68 2HB ARG 9 2HB ARG 9 -3.437 -11.062 10.586 69 1HG ARG 9 1HG ARG 9 -1.362 -9.843 10.891 70 2HG ARG 9 2HG ARG 9 -2.250 -8.362 11.307 71 1HD ARG 9 1HD ARG 9 -2.172 -10.869 13.037 72 2HD ARG 9 2HD ARG 9 -1.239 -9.373 13.270 73 HE ARG 9 HE ARG 9 -3.096 -8.260 14.026 74 1HH1 ARG 9 1HH2 ARG 9 -4.027 -11.436 12.819 75 2HH1 ARG 9 2HH2 ARG 9 -5.575 -11.458 13.620 76 1HH2 ARG 9 2HH1 ARG 9 -5.104 -8.260 15.100 77 2HH2 ARG 9 1HH1 ARG 9 -6.222 -9.587 14.908 78 H LEU 10 H LEU 10 -1.675 -8.030 8.710 79 HA LEU 10 HA LEU 10 -1.421 -9.203 6.138 80 1HB LEU 10 1HB LEU 10 0.337 -7.518 7.881 81 2HB LEU 10 2HB LEU 10 1.079 -8.404 6.527 82 HG LEU 10 HG LEU 10 0.381 -6.233 5.721 83 1HD1 LEU 10 1HD1 LEU 10 -1.485 -8.470 4.798 84 2HD1 LEU 10 2HD1 LEU 10 -1.169 -6.961 3.910 85 3HD1 LEU 10 3HD1 LEU 10 0.142 -8.127 4.163 86 1HD2 LEU 10 1HD2 LEU 10 -1.377 -5.822 7.408 87 2HD2 LEU 10 2HD2 LEU 10 -2.005 -5.591 5.755 88 3HD2 LEU 10 3HD2 LEU 10 -2.389 -7.080 6.658 89 H LYS 11 H LYS 11 -1.499 -11.444 6.141 90 HA LYS 11 HA LYS 11 0.587 -12.953 7.538 91 1HB LYS 11 1HB LYS 11 -1.244 -14.297 7.018 92 2HB LYS 11 2HB LYS 11 -1.498 -13.590 5.416 93 1HG LYS 11 1HG LYS 11 1.000 -15.177 5.879 94 2HG LYS 11 2HG LYS 11 -0.588 -15.940 5.552 95 1HD LYS 11 1HD LYS 11 0.971 -14.056 3.753 96 2HD LYS 11 2HD LYS 11 0.255 -15.639 3.399 97 1HE LYS 11 1HE LYS 11 -2.026 -14.575 3.877 98 2HE LYS 11 2HE LYS 11 -1.177 -13.011 3.905 99 1HZ LYS 11 1HZ LYS 11 -0.406 -13.503 1.666 100 2HZ LYS 11 2HZ LYS 11 -1.359 -14.837 1.621 101 3HZ LYS 11 3HZ LYS 11 -2.047 -13.355 1.765 102 H THR 12 H THR 12 0.036 -11.524 4.321 103 HA THR 12 HA THR 12 2.663 -12.101 3.269 104 HB THR 12 HB THR 12 2.216 -10.087 1.846 105 HG1 THR 12 HG1 THR 12 -0.401 -10.268 3.000 106 1HG2 THR 12 1HG2 THR 12 0.043 -12.205 1.915 107 2HG2 THR 12 2HG2 THR 12 0.542 -11.232 0.501 108 3HG2 THR 12 3HG2 THR 12 1.669 -12.413 1.220 109 H GLY 13 H GLY 13 1.181 -9.137 4.412 110 1HA GLY 13 1HA GLY 13 2.065 -7.196 5.473 111 2HA GLY 13 2HA GLY 13 3.574 -8.070 5.833 112 H LEU 14 H LEU 14 1.768 -8.033 2.860 113 HA LEU 14 HA LEU 14 2.370 -7.631 0.683 114 1HB LEU 14 1HB LEU 14 2.075 -5.084 2.239 115 2HB LEU 14 2HB LEU 14 2.493 -5.063 0.509 116 HG LEU 14 HG LEU 14 0.666 -6.922 0.302 117 1HD1 LEU 14 1HD1 LEU 14 -0.305 -5.408 2.744 118 2HD1 LEU 14 2HD1 LEU 14 -1.269 -6.550 1.776 119 3HD1 LEU 14 3HD1 LEU 14 0.158 -7.122 2.673 120 1HD2 LEU 14 1HD2 LEU 14 0.624 -4.773 -0.865 121 2HD2 LEU 14 2HD2 LEU 14 -1.000 -5.199 -0.274 122 3HD2 LEU 14 3HD2 LEU 14 -0.031 -3.978 0.582 123 H GLN 15 H GLN 15 4.518 -8.797 1.291 124 HA GLN 15 HA GLN 15 6.840 -7.044 1.095 125 1HB GLN 15 1HB GLN 15 6.710 -10.077 1.194 126 2HB GLN 15 2HB GLN 15 8.157 -9.058 1.401 127 1HG GLN 15 1HG GLN 15 6.829 -7.857 3.260 128 2HG GLN 15 2HG GLN 15 5.702 -9.225 3.178 129 1HE2 GLN 15 2HE2 GLN 15 6.690 -9.075 5.608 130 2HE2 GLN 15 1HE2 GLN 15 8.062 -10.151 5.842 131 H ALA 16 H ALA 16 5.578 -6.426 -1.007 132 HA ALA 16 HA ALA 16 5.973 -5.917 -3.191 133 1HB ALA 16 1HB ALA 16 8.344 -6.013 -2.622 134 2HB ALA 16 2HB ALA 16 8.356 -7.766 -2.928 135 3HB ALA 16 3HB ALA 16 8.058 -6.631 -4.267 136 H ARG 17 H ARG 17 6.564 -9.468 -2.813 137 HA ARG 17 HA ARG 17 5.649 -9.932 -5.504 138 1HB ARG 17 1HB ARG 17 5.797 -11.981 -3.282 139 2HB ARG 17 2HB ARG 17 5.827 -12.287 -5.031 140 1HG ARG 17 1HG ARG 17 7.995 -11.089 -5.195 141 2HG ARG 17 2HG ARG 17 7.878 -10.665 -3.477 142 1HD ARG 17 1HD ARG 17 8.385 -13.364 -4.722 143 2HD ARG 17 2HD ARG 17 9.308 -12.544 -3.452 144 HE ARG 17 HE ARG 17 7.287 -14.436 -3.061 145 1HH1 ARG 17 2HH1 ARG 17 8.015 -11.147 -1.756 146 2HH1 ARG 17 1HH1 ARG 17 6.856 -11.386 -0.455 147 1HH2 ARG 17 1HH2 ARG 17 5.858 -14.579 -1.199 148 2HH2 ARG 17 2HH2 ARG 17 5.745 -13.128 -0.176 149 HA PRO 18 HA PRO 18 1.472 -11.575 -3.724 150 1HB PRO 18 1HB PRO 18 0.891 -11.001 -1.107 151 2HB PRO 18 2HB PRO 18 1.720 -12.509 -1.610 152 1HG PRO 18 1HG PRO 18 3.027 -9.936 -0.620 153 2HG PRO 18 2HG PRO 18 3.303 -11.595 -0.032 154 1HD PRO 18 1HD PRO 18 4.949 -10.476 -1.865 155 2HD PRO 18 2HD PRO 18 4.446 -12.177 -2.067 156 H ALA 19 H ALA 19 2.788 -8.807 -1.929 157 HA ALA 19 HA ALA 19 0.486 -7.194 -2.037 158 1HB ALA 19 1HB ALA 19 2.319 -6.914 -0.508 159 2HB ALA 19 2HB ALA 19 3.404 -6.436 -1.847 160 3HB ALA 19 3HB ALA 19 1.987 -5.420 -1.423 161 H ALA 20 H ALA 20 3.009 -7.683 -4.556 162 HA ALA 20 HA ALA 20 2.345 -5.383 -6.105 163 1HB ALA 20 1HB ALA 20 3.118 -8.203 -6.983 164 2HB ALA 20 2HB ALA 20 3.190 -6.743 -7.999 165 3HB ALA 20 3HB ALA 20 4.261 -6.902 -6.581 166 H LEU 21 H LEU 21 1.001 -8.661 -5.808 167 HA LEU 21 HA LEU 21 -1.107 -8.458 -7.714 168 1HB LEU 21 1HB LEU 21 -0.042 -10.430 -6.332 169 2HB LEU 21 2HB LEU 21 -1.265 -10.016 -5.135 170 HG LEU 21 HG LEU 21 -2.052 -11.805 -6.680 171 1HD1 LEU 21 1HD2 LEU 21 -3.467 -9.130 -7.009 172 2HD1 LEU 21 2HD2 LEU 21 -4.205 -10.732 -7.274 173 3HD1 LEU 21 3HD2 LEU 21 -3.662 -10.252 -5.645 174 1HD2 LEU 21 1HD1 LEU 21 -0.776 -11.083 -8.678 175 2HD2 LEU 21 2HD1 LEU 21 -2.511 -11.250 -9.039 176 3HD2 LEU 21 3HD1 LEU 21 -1.802 -9.635 -8.807 177 H PHE 22 H PHE 22 -0.897 -7.887 -4.156 178 HA PHE 22 HA PHE 22 -3.646 -7.250 -3.759 179 1HB PHE 22 1HB PHE 22 -1.252 -6.073 -2.328 180 2HB PHE 22 2HB PHE 22 -2.918 -6.127 -1.733 181 HD1 PHE 22 HD1 PHE 22 -3.022 -9.127 -3.141 182 HD2 PHE 22 HD2 PHE 22 -0.659 -7.134 -0.177 183 HE1 PHE 22 HE1 PHE 22 -2.553 -11.323 -2.052 184 HE2 PHE 22 HE2 PHE 22 -0.190 -9.328 0.952 185 HZ PHE 22 HZ PHE 22 -1.170 -11.420 0.005 186 H VAL 23 H VAL 23 -0.927 -4.976 -4.132 187 HA VAL 23 HA VAL 23 -2.379 -2.582 -4.341 188 HB VAL 23 HB VAL 23 0.321 -3.555 -5.301 189 1HG1 VAL 23 1HG2 VAL 23 -0.773 -0.727 -5.574 190 2HG1 VAL 23 2HG2 VAL 23 0.912 -1.228 -5.845 191 3HG1 VAL 23 3HG2 VAL 23 -0.375 -1.830 -6.914 192 1HG2 VAL 23 1HG1 VAL 23 -0.605 -1.526 -3.213 193 2HG2 VAL 23 2HG1 VAL 23 -0.029 -3.179 -2.882 194 3HG2 VAL 23 3HG1 VAL 23 1.085 -1.966 -3.552 195 H GLN 24 H GLN 24 -1.409 -4.939 -6.931 196 HA GLN 24 HA GLN 24 -2.372 -3.203 -9.007 197 1HB GLN 24 1HB GLN 24 -2.219 -5.144 -10.479 198 2HB GLN 24 2HB GLN 24 -0.741 -4.955 -9.506 199 1HG GLN 24 1HG GLN 24 -1.398 -6.705 -8.020 200 2HG GLN 24 2HG GLN 24 -3.030 -6.787 -8.707 201 1HE2 GLN 24 2HE2 GLN 24 -3.430 -8.007 -10.510 202 2HE2 GLN 24 1HE2 GLN 24 -2.180 -8.947 -11.327 203 H GLU 25 H GLU 25 -3.975 -5.793 -7.107 204 HA GLU 25 HA GLU 25 -6.298 -5.700 -8.822 205 1HB GLU 25 1HB GLU 25 -6.012 -6.746 -5.956 206 2HB GLU 25 2HB GLU 25 -7.345 -7.124 -7.078 207 1HG GLU 25 1HG GLU 25 -4.407 -7.774 -7.531 208 2HG GLU 25 2HG GLU 25 -5.626 -8.931 -6.958 209 H ALA 26 H ALA 26 -5.521 -4.527 -5.567 210 HA ALA 26 HA ALA 26 -7.739 -2.983 -4.889 211 1HB ALA 26 1HB ALA 26 -5.669 -3.250 -3.537 212 2HB ALA 26 2HB ALA 26 -4.802 -2.247 -4.729 213 3HB ALA 26 3HB ALA 26 -6.102 -1.529 -3.744 214 H ASN 27 H ASN 27 -4.981 -2.170 -6.949 215 HA ASN 27 HA ASN 27 -5.713 0.385 -7.863 216 1HB ASN 27 1HB ASN 27 -3.840 -1.807 -8.397 217 2HB ASN 27 2HB ASN 27 -4.326 -1.025 -9.899 218 1HD2 ASN 27 2HD2 ASN 27 -2.171 -0.936 -7.401 219 2HD2 ASN 27 1HD2 ASN 27 -1.612 0.731 -7.413 220 H ARG 28 H ARG 28 -6.569 -2.856 -9.061 221 HA ARG 28 HA ARG 28 -7.406 -1.922 -11.738 222 1HB ARG 28 1HB ARG 28 -7.957 -4.456 -10.140 223 2HB ARG 28 2HB ARG 28 -8.512 -4.191 -11.810 224 1HG ARG 28 1HG ARG 28 -6.200 -3.910 -12.585 225 2HG ARG 28 2HG ARG 28 -5.609 -4.017 -10.913 226 1HD ARG 28 1HD ARG 28 -5.279 -6.151 -12.072 227 2HD ARG 28 2HD ARG 28 -6.440 -6.333 -10.745 228 HE ARG 28 HE ARG 28 -7.821 -5.745 -13.181 229 1HH1 ARG 28 2HH1 ARG 28 -6.045 -8.297 -11.520 230 2HH1 ARG 28 1HH1 ARG 28 -6.789 -9.606 -12.401 231 1HH2 ARG 28 1HH2 ARG 28 -8.857 -7.447 -14.324 232 2HH2 ARG 28 2HH2 ARG 28 -8.439 -9.110 -14.016 233 H PHE 29 H PHE 29 -8.800 -2.839 -8.686 234 HA PHE 29 HA PHE 29 -11.510 -2.190 -8.866 235 1HB PHE 29 1HB PHE 29 -9.290 -1.880 -6.822 236 2HB PHE 29 2HB PHE 29 -10.945 -1.509 -6.421 237 HD1 PHE 29 HD1 PHE 29 -12.222 -3.721 -8.179 238 HD2 PHE 29 HD2 PHE 29 -8.885 -3.824 -5.469 239 HE1 PHE 29 HE1 PHE 29 -12.713 -6.099 -7.670 240 HE2 PHE 29 HE2 PHE 29 -9.378 -6.204 -4.950 241 HZ PHE 29 HZ PHE 29 -11.373 -7.302 -5.965 242 H THR 30 H THR 30 -12.384 -0.385 -9.582 243 HA THR 30 HA THR 30 -10.794 2.037 -9.976 244 HB THR 30 HB THR 30 -13.686 1.291 -10.514 245 HG1 THR 30 HG1 THR 30 -11.656 0.353 -11.627 246 1HG2 THR 30 1HG2 THR 30 -12.107 3.687 -11.507 247 2HG2 THR 30 2HG2 THR 30 -13.764 3.226 -12.002 248 3HG2 THR 30 3HG2 THR 30 -13.437 3.716 -10.317 249 H SER 31 H SER 31 -10.595 1.767 -7.425 250 HA SER 31 HA SER 31 -12.449 3.630 -6.082 251 1HB SER 31 1HB SER 31 -11.157 1.108 -4.974 252 2HB SER 31 2HB SER 31 -12.443 2.073 -4.215 253 HG SER 31 HG SER 31 -13.061 0.038 -5.320 254 H ASP 32 H ASP 32 -11.544 4.895 -4.502 255 HA ASP 32 HA ASP 32 -8.621 5.165 -4.423 256 1HB ASP 32 1HB ASP 32 -10.128 7.101 -4.229 257 2HB ASP 32 2HB ASP 32 -10.892 6.347 -2.808 258 H VAL 33 H VAL 33 -8.129 3.092 -3.886 259 HA VAL 33 HA VAL 33 -9.289 1.756 -1.596 260 HB VAL 33 HB VAL 33 -7.858 -0.097 -2.181 261 1HG1 VAL 33 1HG2 VAL 33 -8.864 1.434 -4.618 262 2HG1 VAL 33 2HG2 VAL 33 -8.505 -0.308 -4.597 263 3HG1 VAL 33 3HG2 VAL 33 -9.831 0.349 -3.596 264 1HG2 VAL 33 1HG1 VAL 33 -5.790 1.209 -2.539 265 2HG2 VAL 33 2HG1 VAL 33 -6.115 0.127 -3.920 266 3HG2 VAL 33 3HG1 VAL 33 -6.466 1.868 -4.048 267 H PHE 34 H PHE 34 -8.061 0.842 0.171 268 HA PHE 34 HA PHE 34 -5.745 2.472 0.984 269 1HB PHE 34 1HB PHE 34 -8.313 2.402 2.603 270 2HB PHE 34 2HB PHE 34 -6.762 3.025 3.162 271 HD1 PHE 34 HD1 PHE 34 -5.708 4.980 1.941 272 HD2 PHE 34 HD2 PHE 34 -9.784 3.782 1.299 273 HE1 PHE 34 HE1 PHE 34 -6.225 7.243 1.029 274 HE2 PHE 34 HE2 PHE 34 -10.294 6.025 0.363 275 HZ PHE 34 HZ PHE 34 -8.532 7.758 0.249 276 H LEU 35 H LEU 35 -5.012 1.844 3.184 277 HA LEU 35 HA LEU 35 -5.839 -0.787 4.160 278 1HB LEU 35 1HB LEU 35 -4.052 -1.237 2.472 279 2HB LEU 35 2HB LEU 35 -2.920 -0.247 3.434 280 HG LEU 35 HG LEU 35 -4.511 -2.473 4.736 281 1HD1 LEU 35 1HD2 LEU 35 -1.909 -2.782 3.191 282 2HD1 LEU 35 2HD2 LEU 35 -2.676 -4.035 4.202 283 3HD1 LEU 35 3HD2 LEU 35 -3.489 -3.458 2.727 284 1HD2 LEU 35 1HD1 LEU 35 -1.742 -1.264 5.150 285 2HD2 LEU 35 2HD1 LEU 35 -3.193 -0.866 6.101 286 3HD2 LEU 35 3HD1 LEU 35 -2.492 -2.499 6.189 287 H GLU 36 H GLU 36 -6.059 -0.514 6.255 288 HA GLU 36 HA GLU 36 -4.796 1.887 7.499 289 1HB GLU 36 1HB GLU 36 -7.285 0.544 8.515 290 2HB GLU 36 2HB GLU 36 -6.835 2.260 8.605 291 1HG GLU 36 1HG GLU 36 -7.280 2.517 6.218 292 2HG GLU 36 2HG GLU 36 -7.595 0.798 6.041 293 H LYS 37 H LYS 37 -3.084 1.076 8.747 294 HA LYS 37 HA LYS 37 -3.143 -1.523 10.085 295 1HB LYS 37 1HB LYS 37 -1.356 0.925 10.232 296 2HB LYS 37 2HB LYS 37 -1.200 -0.422 11.376 297 1HG LYS 37 1HG LYS 37 -0.876 -2.034 9.594 298 2HG LYS 37 2HG LYS 37 -1.059 -0.735 8.414 299 1HD LYS 37 1HD LYS 37 1.307 -1.121 8.673 300 2HD LYS 37 2HD LYS 37 0.967 0.397 9.521 301 1HE LYS 37 1HE LYS 37 1.155 -2.368 10.834 302 2HE LYS 37 2HE LYS 37 2.489 -1.215 10.700 303 1HZ LYS 37 1HZ LYS 37 1.185 0.348 11.977 304 2HZ LYS 37 2HZ LYS 37 -0.031 -0.755 12.143 305 3HZ LYS 37 3HZ LYS 37 1.442 -1.051 12.812 306 H ASP 38 H ASP 38 -4.823 -1.825 11.440 307 HA ASP 38 HA ASP 38 -6.351 -1.449 13.087 308 1HB ASP 38 1HB ASP 38 -4.058 0.131 14.286 309 2HB ASP 38 2HB ASP 38 -5.492 -0.428 15.166 310 H GLY 39 H GLY 39 -6.255 0.456 10.796 311 1HA GLY 39 1HA GLY 39 -8.008 2.260 10.722 312 2HA GLY 39 2HA GLY 39 -7.325 2.814 12.270 313 H LYS 40 H LYS 40 -4.475 2.253 11.156 314 HA LYS 40 HA LYS 40 -4.022 4.938 10.194 315 1HB LYS 40 1HB LYS 40 -2.244 2.469 10.253 316 2HB LYS 40 2HB LYS 40 -1.690 4.148 10.038 317 1HG LYS 40 1HG LYS 40 -2.641 4.685 12.310 318 2HG LYS 40 2HG LYS 40 -3.061 2.959 12.486 319 1HD LYS 40 1HD LYS 40 -0.884 3.490 13.575 320 2HD LYS 40 2HD LYS 40 -0.715 2.319 12.246 321 1HE LYS 40 1HE LYS 40 -0.042 4.141 10.715 322 2HE LYS 40 2HE LYS 40 -0.225 5.323 12.028 323 1HZ LYS 40 1HZ LYS 40 1.669 3.075 11.999 324 2HZ LYS 40 2HZ LYS 40 2.047 4.658 11.740 325 3HZ LYS 40 3HZ LYS 40 1.500 4.174 13.217 326 H LYS 41 H LYS 41 -5.470 4.891 8.309 327 HA LYS 41 HA LYS 41 -4.670 3.041 6.224 328 1HB LYS 41 1HB LYS 41 -6.743 3.106 5.681 329 2HB LYS 41 2HB LYS 41 -7.063 4.272 6.965 330 1HG LYS 41 1HG LYS 41 -6.349 4.901 4.058 331 2HG LYS 41 2HG LYS 41 -7.987 4.899 4.723 332 1HD LYS 41 1HD LYS 41 -7.344 6.699 6.323 333 2HD LYS 41 2HD LYS 41 -5.720 6.733 5.586 334 1HE LYS 41 1HE LYS 41 -7.100 8.460 4.528 335 2HE LYS 41 2HE LYS 41 -6.789 7.152 3.361 336 1HZ LYS 41 1HZ LYS 41 -9.254 7.447 4.926 337 2HZ LYS 41 2HZ LYS 41 -9.060 7.850 3.338 338 3HZ LYS 41 3HZ LYS 41 -8.949 6.281 3.805 339 H VAL 42 H VAL 42 -4.046 3.288 4.306 340 HA VAL 42 HA VAL 42 -3.257 5.921 3.160 341 HB VAL 42 HB VAL 42 -1.120 4.797 2.381 342 1HG1 VAL 42 1HG1 VAL 42 -1.490 4.953 5.400 343 2HG1 VAL 42 2HG1 VAL 42 0.073 4.964 4.546 344 3HG1 VAL 42 3HG1 VAL 42 -1.071 6.311 4.329 345 1HG2 VAL 42 1HG2 VAL 42 -2.024 2.495 2.657 346 2HG2 VAL 42 2HG2 VAL 42 -0.461 2.696 3.491 347 3HG2 VAL 42 3HG2 VAL 42 -1.981 2.702 4.422 348 H ASN 43 H ASN 43 -2.906 5.731 0.756 349 HA ASN 43 HA ASN 43 -5.028 4.160 -0.348 350 1HB ASN 43 1HB ASN 43 -4.309 6.303 -1.337 351 2HB ASN 43 2HB ASN 43 -2.727 5.581 -1.726 352 1HD2 ASN 43 2HD2 ASN 43 -6.097 5.861 -2.690 353 2HD2 ASN 43 1HD2 ASN 43 -5.919 4.896 -4.143 354 H ALA 44 H ALA 44 -4.977 2.229 -0.252 355 HA ALA 44 HA ALA 44 -3.055 0.317 0.144 356 1HB ALA 44 1HB ALA 44 -5.499 -0.086 0.255 357 2HB ALA 44 2HB ALA 44 -5.594 0.038 -1.515 358 3HB ALA 44 3HB ALA 44 -4.705 -1.306 -0.769 359 H LYS 45 H LYS 45 -4.041 1.610 -3.003 360 HA LYS 45 HA LYS 45 -2.465 -0.464 -4.395 361 1HB LYS 45 1HB LYS 45 -3.390 0.608 -6.429 362 2HB LYS 45 2HB LYS 45 -4.657 0.052 -5.314 363 1HG LYS 45 1HG LYS 45 -4.999 2.309 -4.487 364 2HG LYS 45 2HG LYS 45 -3.550 2.872 -5.306 365 1HD LYS 45 1HD LYS 45 -5.350 3.606 -6.655 366 2HD LYS 45 2HD LYS 45 -4.635 2.234 -7.527 367 1HE LYS 45 1HE LYS 45 -6.426 0.747 -6.503 368 2HE LYS 45 2HE LYS 45 -7.158 2.191 -5.780 369 1HZ LYS 45 1HZ LYS 45 -6.807 1.722 -8.659 370 2HZ LYS 45 2HZ LYS 45 -8.202 1.593 -7.806 371 3HZ LYS 45 3HZ LYS 45 -7.479 3.065 -7.965 372 H SER 46 H SER 46 -1.855 2.519 -2.948 373 HA SER 46 HA SER 46 0.307 3.190 -4.848 374 1HB SER 46 1HB SER 46 -0.924 4.706 -2.517 375 2HB SER 46 2HB SER 46 0.383 5.321 -3.554 376 HG SER 46 HG SER 46 -2.220 4.552 -4.400 377 H ILE 47 H ILE 47 2.261 3.955 -3.902 378 HA ILE 47 HA ILE 47 3.973 2.408 -2.673 379 HB ILE 47 HB ILE 47 4.555 4.565 -3.529 380 1HG1 ILE 47 1HG1 ILE 47 6.012 3.524 -1.683 381 2HG1 ILE 47 2HG1 ILE 47 6.249 5.241 -2.065 382 1HG2 ILE 47 1HG2 ILE 47 2.553 5.815 -2.724 383 2HG2 ILE 47 2HG2 ILE 47 3.233 5.799 -1.084 384 3HG2 ILE 47 3HG2 ILE 47 4.075 6.678 -2.374 385 1HD1 ILE 47 1HD1 ILE 47 4.843 5.895 -0.138 386 2HD1 ILE 47 2HD1 ILE 47 4.624 4.189 0.285 387 3HD1 ILE 47 3HD1 ILE 47 6.238 4.923 0.379 388 H MET 48 H MET 48 2.211 4.764 -0.590 389 HA MET 48 HA MET 48 3.303 3.573 1.792 390 1HB MET 48 1HB MET 48 1.116 5.627 1.302 391 2HB MET 48 2HB MET 48 1.817 5.222 2.902 392 1HG MET 48 1HG MET 48 4.051 5.756 2.050 393 2HG MET 48 2HG MET 48 3.351 6.174 0.478 394 1HE MET 48 1HE MET 48 3.445 7.008 4.288 395 2HE MET 48 2HE MET 48 2.438 8.477 4.372 396 3HE MET 48 3HE MET 48 1.706 6.918 3.910 397 H GLY 49 H GLY 49 0.481 2.935 -0.141 398 1HA GLY 49 1HA GLY 49 -1.117 1.796 1.997 399 2HA GLY 49 2HA GLY 49 -1.394 1.614 0.230 400 H LEU 50 H LEU 50 0.912 0.469 -0.730 401 HA LEU 50 HA LEU 50 0.886 -2.174 0.359 402 1HB LEU 50 1HB LEU 50 1.563 -1.074 -2.049 403 2HB LEU 50 2HB LEU 50 3.169 -1.144 -1.243 404 HG LEU 50 HG LEU 50 1.288 -3.496 -1.674 405 1HD1 LEU 50 1HD1 LEU 50 2.393 -2.613 -3.700 406 2HD1 LEU 50 2HD1 LEU 50 3.969 -2.703 -2.881 407 3HD1 LEU 50 3HD1 LEU 50 3.065 -4.200 -3.245 408 1HD2 LEU 50 1HD2 LEU 50 4.091 -3.323 -0.433 409 2HD2 LEU 50 2HD2 LEU 50 2.584 -3.730 0.415 410 3HD2 LEU 50 3HD2 LEU 50 3.225 -4.820 -0.811 411 H MET 51 H MET 51 3.611 0.096 -0.113 412 HA MET 51 HA MET 51 5.405 -1.500 1.257 413 1HB MET 51 1HB MET 51 5.971 0.175 -0.479 414 2HB MET 51 2HB MET 51 5.535 1.470 0.656 415 1HG MET 51 1HG MET 51 7.275 0.479 2.242 416 2HG MET 51 2HG MET 51 7.824 -0.510 0.880 417 1HE MET 51 1HE MET 51 6.401 3.102 0.914 418 2HE MET 51 2HE MET 51 7.406 3.061 2.385 419 3HE MET 51 3HE MET 51 7.877 4.099 1.016 420 H SER 52 H SER 52 3.495 1.314 2.419 421 HA SER 52 HA SER 52 5.024 1.341 4.916 422 1HB SER 52 1HB SER 52 2.511 2.869 4.145 423 2HB SER 52 2HB SER 52 3.619 3.250 5.488 424 HG SER 52 HG SER 52 5.269 3.469 3.800 425 H LEU 53 H LEU 53 1.521 1.133 4.249 426 HA LEU 53 HA LEU 53 0.969 0.099 6.889 427 1HB LEU 53 1HB LEU 53 -0.614 0.667 4.415 428 2HB LEU 53 2HB LEU 53 -1.262 -0.294 5.757 429 HG LEU 53 HG LEU 53 -1.795 2.067 6.154 430 1HD1 LEU 53 1HD1 LEU 53 -1.159 0.754 8.144 431 2HD1 LEU 53 2HD1 LEU 53 0.540 1.236 7.912 432 3HD1 LEU 53 3HD1 LEU 53 -0.692 2.461 8.310 433 1HD2 LEU 53 1HD2 LEU 53 0.027 2.971 4.706 434 2HD2 LEU 53 2HD2 LEU 53 -0.045 3.786 6.293 435 3HD2 LEU 53 3HD2 LEU 53 1.206 2.555 5.974 436 H ALA 54 H ALA 54 0.247 -1.270 3.682 437 HA ALA 54 HA ALA 54 -0.537 -3.827 4.447 438 1HB ALA 54 1HB ALA 54 -0.855 -2.735 2.233 439 2HB ALA 54 2HB ALA 54 0.890 -2.874 1.933 440 3HB ALA 54 3HB ALA 54 -0.104 -4.341 2.063 441 H VAL 55 H VAL 55 2.689 -2.572 3.805 442 HA VAL 55 HA VAL 55 3.956 -5.163 3.826 443 HB VAL 55 HB VAL 55 5.116 -2.359 3.998 444 1HG1 VAL 55 1HG2 VAL 55 6.524 -5.023 3.529 445 2HG1 VAL 55 2HG2 VAL 55 7.277 -3.410 3.425 446 3HG1 VAL 55 3HG2 VAL 55 6.685 -4.024 4.992 447 1HG2 VAL 55 1HG1 VAL 55 3.972 -2.981 1.887 448 2HG2 VAL 55 2HG1 VAL 55 5.734 -2.838 1.656 449 3HG2 VAL 55 3HG1 VAL 55 4.978 -4.444 1.780 450 H SER 56 H SER 56 2.614 -3.435 6.371 451 HA SER 56 HA SER 56 4.580 -4.245 8.350 452 1HB SER 56 1HB SER 56 1.733 -3.179 8.459 453 2HB SER 56 2HB SER 56 2.746 -3.439 9.893 454 HG SER 56 HG SER 56 3.361 -1.697 7.680 455 H THR 57 H THR 57 4.423 -6.550 7.174 456 HA THR 57 HA THR 57 2.545 -8.452 7.493 457 HB THR 57 HB THR 57 5.367 -8.794 8.551 458 HG1 THR 57 HG1 THR 57 4.724 -9.206 5.854 459 1HG2 THR 57 1HG2 THR 57 5.139 -11.057 7.565 460 2HG2 THR 57 2HG2 THR 57 3.859 -10.748 8.761 461 3HG2 THR 57 3HG2 THR 57 3.493 -10.662 7.023 462 H GLY 58 H GLY 58 1.270 -9.195 9.092 463 1HA GLY 58 1HA GLY 58 0.805 -10.010 11.247 464 2HA GLY 58 2HA GLY 58 2.257 -9.211 11.867 465 H THR 59 H THR 59 0.717 -6.805 10.049 466 HA THR 59 HA THR 59 -0.545 -5.827 12.535 467 HB THR 59 HB THR 59 -0.343 -4.375 9.864 468 HG1 THR 59 HG1 THR 59 1.723 -4.999 10.668 469 1HG2 THR 59 1HG2 THR 59 -0.550 -2.382 11.312 470 2HG2 THR 59 2HG2 THR 59 -1.931 -3.481 11.544 471 3HG2 THR 59 3HG2 THR 59 -0.624 -3.430 12.747 472 H GLU 60 H GLU 60 -2.790 -5.583 12.720 473 HA GLU 60 HA GLU 60 -4.347 -6.792 10.523 474 1HB GLU 60 1HB GLU 60 -6.224 -6.621 12.055 475 2HB GLU 60 2HB GLU 60 -4.898 -7.514 12.816 476 1HG GLU 60 1HG GLU 60 -5.068 -4.532 13.269 477 2HG GLU 60 2HG GLU 60 -6.152 -5.609 14.159 478 H VAL 61 H VAL 61 -4.685 -5.486 8.910 479 HA VAL 61 HA VAL 61 -5.175 -2.607 9.450 480 HB VAL 61 HB VAL 61 -3.869 -2.123 7.382 481 1HG1 VAL 61 1HG1 VAL 61 -2.419 -3.977 9.333 482 2HG1 VAL 61 2HG1 VAL 61 -1.645 -2.775 8.271 483 3HG1 VAL 61 3HG1 VAL 61 -2.695 -2.244 9.607 484 1HG2 VAL 61 1HG2 VAL 61 -3.193 -5.085 7.535 485 2HG2 VAL 61 2HG2 VAL 61 -4.181 -4.338 6.243 486 3HG2 VAL 61 3HG2 VAL 61 -2.457 -3.900 6.440 487 H THR 62 H THR 62 -6.787 -1.670 8.252 488 HA THR 62 HA THR 62 -8.615 -3.634 7.022 489 HB THR 62 HB THR 62 -9.070 -0.677 7.560 490 HG1 THR 62 HG1 THR 62 -8.626 -2.028 9.479 491 1HG2 THR 62 1HG2 THR 62 -11.463 -1.382 7.477 492 2HG2 THR 62 2HG2 THR 62 -10.648 -1.758 5.948 493 3HG2 THR 62 3HG2 THR 62 -10.953 -3.044 7.139 494 H LEU 63 H LEU 63 -8.731 -3.978 4.904 495 HA LEU 63 HA LEU 63 -7.347 -2.154 3.041 496 1HB LEU 63 1HB LEU 63 -8.664 -4.882 2.810 497 2HB LEU 63 2HB LEU 63 -8.248 -3.918 1.383 498 HG LEU 63 HG LEU 63 -6.456 -5.500 1.866 499 1HD1 LEU 63 1HD1 LEU 63 -5.935 -3.303 0.867 500 2HD1 LEU 63 2HD1 LEU 63 -5.714 -2.611 2.490 501 3HD1 LEU 63 3HD1 LEU 63 -4.602 -3.871 1.900 502 1HD2 LEU 63 1HD2 LEU 63 -6.198 -4.028 4.517 503 2HD2 LEU 63 2HD2 LEU 63 -6.739 -5.709 4.305 504 3HD2 LEU 63 3HD2 LEU 63 -5.067 -5.255 3.895 505 H ILE 64 H ILE 64 -8.340 -0.531 2.286 506 HA ILE 64 HA ILE 64 -11.306 -0.367 2.261 507 HB ILE 64 HB ILE 64 -9.265 1.844 1.793 508 1HG1 ILE 64 1HG1 ILE 64 -10.674 1.114 4.381 509 2HG1 ILE 64 2HG1 ILE 64 -8.917 1.058 4.086 510 1HG2 ILE 64 1HG2 ILE 64 -12.219 1.865 2.520 511 2HG2 ILE 64 2HG2 ILE 64 -11.184 3.308 2.367 512 3HG2 ILE 64 3HG2 ILE 64 -11.518 2.295 0.940 513 1HD1 ILE 64 1HD1 ILE 64 -8.969 3.520 3.626 514 2HD1 ILE 64 2HD1 ILE 64 -10.716 3.526 3.946 515 3HD1 ILE 64 3HD1 ILE 64 -9.579 3.149 5.262 516 H ALA 65 H ALA 65 -12.300 0.555 0.459 517 HA ALA 65 HA ALA 65 -10.959 1.037 -2.056 518 1HB ALA 65 1HB ALA 65 -13.150 -1.072 -1.710 519 2HB ALA 65 2HB ALA 65 -12.514 -0.497 -3.269 520 3HB ALA 65 3HB ALA 65 -11.466 -1.429 -2.170 521 H GLN 66 H GLN 66 -11.573 3.057 -2.131 522 HA GLN 66 HA GLN 66 -14.465 3.530 -1.636 523 1HB GLN 66 1HB GLN 66 -12.937 4.585 -0.022 524 2HB GLN 66 2HB GLN 66 -11.990 5.253 -1.359 525 1HG GLN 66 1HG GLN 66 -14.525 6.098 -1.978 526 2HG GLN 66 2HG GLN 66 -14.553 6.144 -0.193 527 1HE2 GLN 66 2HE2 GLN 66 -12.713 7.084 -3.082 528 2HE2 GLN 66 1HE2 GLN 66 -11.918 8.505 -2.380 529 H GLY 67 H GLY 67 -14.514 2.547 -3.793 530 1HA GLY 67 1HA GLY 67 -14.424 4.565 -5.973 531 2HA GLY 67 2HA GLY 67 -13.502 3.090 -6.102 532 H GLU 68 H GLU 68 -14.878 2.896 -7.983 533 HA GLU 68 HA GLU 68 -17.550 2.091 -8.022 534 1HB GLU 68 1HB GLU 68 -15.192 0.966 -9.601 535 2HB GLU 68 2HB GLU 68 -16.897 0.920 -10.095 536 1HG GLU 68 1HG GLU 68 -15.209 3.433 -9.706 537 2HG GLU 68 2HG GLU 68 -15.705 2.737 -11.262 538 H ASP 69 H ASP 69 -14.594 0.240 -7.110 539 HA ASP 69 HA ASP 69 -16.338 -2.134 -6.608 540 1HB ASP 69 1HB ASP 69 -13.310 -1.945 -6.685 541 2HB ASP 69 2HB ASP 69 -14.279 -3.412 -6.531 542 H GLU 70 H GLU 70 -16.353 0.339 -4.904 543 HA GLU 70 HA GLU 70 -14.490 0.229 -2.896 544 1HB GLU 70 1HB GLU 70 -15.758 1.702 -1.729 545 2HB GLU 70 2HB GLU 70 -16.262 1.982 -3.406 546 1HG GLU 70 1HG GLU 70 -17.845 0.280 -1.440 547 2HG GLU 70 2HG GLU 70 -18.115 2.014 -1.702 548 H GLN 71 H GLN 71 -17.656 -1.480 -2.746 549 HA GLN 71 HA GLN 71 -16.699 -2.801 -0.320 550 1HB GLN 71 1HB GLN 71 -19.037 -2.051 -0.550 551 2HB GLN 71 2HB GLN 71 -19.295 -3.248 -1.840 552 1HG GLN 71 1HG GLN 71 -20.039 -3.992 0.472 553 2HG GLN 71 2HG GLN 71 -18.855 -5.066 -0.309 554 1HE2 GLN 71 2HE2 GLN 71 -17.024 -5.579 0.716 555 2HE2 GLN 71 1HE2 GLN 71 -16.483 -4.827 2.221 556 H GLU 72 H GLU 72 -15.815 -3.285 -3.365 557 HA GLU 72 HA GLU 72 -15.971 -6.250 -3.399 558 1HB GLU 72 1HB GLU 72 -16.571 -5.338 -5.548 559 2HB GLU 72 2HB GLU 72 -15.294 -4.110 -5.456 560 1HG GLU 72 1HG GLU 72 -14.718 -5.886 -7.065 561 2HG GLU 72 2HG GLU 72 -13.558 -5.782 -5.732 562 H ALA 73 H ALA 73 -13.749 -3.713 -4.222 563 HA ALA 73 HA ALA 73 -11.340 -4.901 -4.460 564 1HB ALA 73 1HB ALA 73 -12.240 -2.211 -3.385 565 2HB ALA 73 2HB ALA 73 -10.579 -2.534 -3.968 566 3HB ALA 73 3HB ALA 73 -11.976 -2.644 -5.078 567 H LEU 74 H LEU 74 -12.454 -3.148 -1.655 568 HA LEU 74 HA LEU 74 -10.440 -3.452 0.151 569 1HB LEU 74 1HB LEU 74 -12.023 -2.639 1.667 570 2HB LEU 74 2HB LEU 74 -12.666 -2.154 0.066 571 HG LEU 74 HG LEU 74 -13.580 -4.645 1.540 572 1HD1 LEU 74 1HD1 LEU 74 -14.878 -1.904 1.299 573 2HD1 LEU 74 2HD1 LEU 74 -15.660 -3.350 1.977 574 3HD1 LEU 74 3HD1 LEU 74 -14.260 -2.622 2.807 575 1HD2 LEU 74 1HD2 LEU 74 -13.779 -4.647 -0.908 576 2HD2 LEU 74 2HD2 LEU 74 -15.351 -4.651 -0.070 577 3HD2 LEU 74 3HD2 LEU 74 -14.731 -3.154 -0.802 578 H GLU 75 H GLU 75 -13.107 -5.817 -0.445 579 HA GLU 75 HA GLU 75 -12.232 -7.371 1.860 580 1HB GLU 75 1HB GLU 75 -14.165 -8.789 1.373 581 2HB GLU 75 2HB GLU 75 -14.616 -7.081 1.514 582 1HG GLU 75 1HG GLU 75 -14.601 -6.911 -0.989 583 2HG GLU 75 2HG GLU 75 -14.286 -8.655 -1.066 584 H LYS 76 H LYS 76 -12.223 -7.747 -1.757 585 HA LYS 76 HA LYS 76 -11.141 -10.401 -1.407 586 1HB LYS 76 1HB LYS 76 -10.678 -10.520 -3.608 587 2HB LYS 76 2HB LYS 76 -12.190 -9.593 -3.565 588 1HG LYS 76 1HG LYS 76 -10.912 -7.597 -4.238 589 2HG LYS 76 2HG LYS 76 -9.373 -8.466 -3.936 590 1HD LYS 76 1HD LYS 76 -10.206 -10.272 -5.524 591 2HD LYS 76 2HD LYS 76 -11.474 -9.151 -6.041 592 1HE LYS 76 1HE LYS 76 -9.712 -7.561 -6.821 593 2HE LYS 76 2HE LYS 76 -8.455 -8.650 -6.195 594 1HZ LYS 76 1HZ LYS 76 -9.279 -10.319 -7.727 595 2HZ LYS 76 2HZ LYS 76 -10.357 -9.236 -8.351 596 3HZ LYS 76 3HZ LYS 76 -8.732 -8.976 -8.502 597 H LEU 77 H LEU 77 -9.640 -7.258 -1.990 598 HA LEU 77 HA LEU 77 -6.928 -7.962 -1.918 599 1HB LEU 77 1HB LEU 77 -8.674 -5.635 -1.644 600 2HB LEU 77 2HB LEU 77 -7.190 -5.487 -0.666 601 HG LEU 77 HG LEU 77 -7.154 -4.719 -3.204 602 1HD1 LEU 77 1HD1 LEU 77 -5.452 -4.729 -1.454 603 2HD1 LEU 77 2HD1 LEU 77 -5.152 -6.466 -1.765 604 3HD1 LEU 77 3HD1 LEU 77 -4.772 -5.251 -3.033 605 1HD2 LEU 77 1HD2 LEU 77 -6.427 -7.694 -3.330 606 2HD2 LEU 77 2HD2 LEU 77 -7.775 -6.942 -4.221 607 3HD2 LEU 77 3HD2 LEU 77 -6.089 -6.497 -4.593 608 H ALA 78 H ALA 78 -8.926 -6.773 0.906 609 HA ALA 78 HA ALA 78 -6.923 -7.270 2.835 610 1HB ALA 78 1HB ALA 78 -9.953 -7.341 3.128 611 2HB ALA 78 2HB ALA 78 -8.786 -7.225 4.462 612 3HB ALA 78 3HB ALA 78 -8.919 -5.903 3.292 613 H ALA 79 H ALA 79 -9.340 -9.454 1.364 614 HA ALA 79 HA ALA 79 -8.999 -11.643 3.153 615 1HB ALA 79 1HB ALA 79 -10.803 -11.416 1.419 616 2HB ALA 79 2HB ALA 79 -9.557 -11.611 0.158 617 3HB ALA 79 3HB ALA 79 -9.909 -12.954 1.273 618 H TYR 80 H TYR 80 -7.429 -10.775 0.018 619 HA TYR 80 HA TYR 80 -5.827 -13.089 -0.114 620 1HB TYR 80 1HB TYR 80 -6.587 -11.477 -1.864 621 2HB TYR 80 2HB TYR 80 -5.328 -10.369 -1.323 622 HD1 TYR 80 HD1 TYR 80 -4.118 -13.671 -0.884 623 HD2 TYR 80 HD2 TYR 80 -4.942 -10.797 -3.983 624 HE1 TYR 80 HE1 TYR 80 -2.541 -14.846 -2.380 625 HE2 TYR 80 HE2 TYR 80 -3.323 -11.960 -5.476 626 HH TYR 80 HH TYR 80 -1.574 -14.897 -4.454 627 H VAL 81 H VAL 81 -5.057 -9.832 1.173 628 HA VAL 81 HA VAL 81 -2.310 -10.217 1.541 629 HB VAL 81 HB VAL 81 -2.432 -8.346 3.106 630 1HG1 VAL 81 1HG2 VAL 81 -2.873 -7.950 0.681 631 2HG1 VAL 81 2HG2 VAL 81 -4.607 -8.194 0.984 632 3HG1 VAL 81 3HG2 VAL 81 -3.775 -6.799 1.717 633 1HG2 VAL 81 1HG1 VAL 81 -5.420 -8.973 3.141 634 2HG2 VAL 81 2HG1 VAL 81 -4.296 -9.221 4.484 635 3HG2 VAL 81 3HG1 VAL 81 -4.662 -7.569 3.935 636 H GLN 82 H GLN 82 -4.911 -11.259 3.661 637 HA GLN 82 HA GLN 82 -3.045 -12.255 5.727 638 1HB GLN 82 1HB GLN 82 -5.145 -12.627 6.987 639 2HB GLN 82 2HB GLN 82 -5.113 -11.004 6.295 640 1HG GLN 82 1HG GLN 82 -6.513 -11.960 4.344 641 2HG GLN 82 2HG GLN 82 -6.450 -13.459 5.233 642 1HE2 GLN 82 2HE2 GLN 82 -8.045 -10.526 4.954 643 2HE2 GLN 82 1HE2 GLN 82 -9.250 -10.765 6.234 644 H GLU 83 H GLU 83 -5.416 -13.360 3.415 645 HA GLU 83 HA GLU 83 -6.255 -15.684 3.506 646 1HB GLU 83 1HB GLU 83 -6.074 -14.128 1.655 647 2HB GLU 83 2HB GLU 83 -4.466 -14.772 1.235 648 1HG GLU 83 1HG GLU 83 -5.478 -17.038 0.907 649 2HG GLU 83 2HG GLU 83 -7.087 -16.331 1.186 650 H GLU 84 H GLU 84 -2.858 -15.751 2.260 651 HA GLU 84 HA GLU 84 -2.913 -18.580 3.160 652 1HB GLU 84 1HB GLU 84 -1.127 -18.994 1.519 653 2HB GLU 84 2HB GLU 84 -2.652 -18.461 0.803 654 1HG GLU 84 1HG GLU 84 -0.648 -16.319 1.378 655 2HG GLU 84 2HG GLU 84 -0.283 -17.455 0.058 656 H VAL 85 H VAL 85 0.258 -17.883 2.472 657 HA VAL 85 HA VAL 85 0.741 -17.077 5.298 658 HB VAL 85 HB VAL 85 2.337 -18.923 5.693 659 1HG1 VAL 85 1HG1 VAL 85 -0.265 -20.198 4.591 660 2HG1 VAL 85 2HG1 VAL 85 0.922 -21.004 5.648 661 3HG1 VAL 85 3HG1 VAL 85 0.005 -19.639 6.259 662 1HG2 VAL 85 1HG2 VAL 85 3.230 -19.256 3.344 663 2HG2 VAL 85 2HG2 VAL 85 2.779 -20.785 4.108 664 3HG2 VAL 85 3HG2 VAL 85 1.712 -20.060 2.878 Start of MODEL 11 1 1H VAL 2 1H VAL 2 -16.977 5.199 -3.241 2 2H VAL 2 2H VAL 2 -17.550 3.622 -3.131 3 3H VAL 2 3H VAL 2 -18.608 4.877 -3.497 4 HA VAL 2 HA VAL 2 -18.256 5.856 -1.348 5 HB VAL 2 HB VAL 2 -18.888 2.890 -1.066 6 1HG1 VAL 2 1HG1 VAL 2 -20.071 5.395 0.202 7 2HG1 VAL 2 2HG1 VAL 2 -20.580 3.722 0.532 8 3HG1 VAL 2 3HG1 VAL 2 -18.947 4.258 0.990 9 1HG2 VAL 2 1HG2 VAL 2 -20.681 5.052 -2.232 10 2HG2 VAL 2 2HG2 VAL 2 -19.994 3.659 -3.105 11 3HG2 VAL 2 3HG2 VAL 2 -21.192 3.396 -1.811 12 H GLN 3 H GLN 3 -17.292 5.238 0.992 13 HA GLN 3 HA GLN 3 -14.734 3.818 0.437 14 1HB GLN 3 1HB GLN 3 -14.578 6.223 1.204 15 2HB GLN 3 2HB GLN 3 -15.254 5.711 2.768 16 1HG GLN 3 1HG GLN 3 -13.335 4.268 3.192 17 2HG GLN 3 2HG GLN 3 -12.849 4.353 1.490 18 1HE2 GLN 3 2HE2 GLN 3 -13.229 6.420 4.419 19 2HE2 GLN 3 1HE2 GLN 3 -11.941 7.516 3.957 20 H GLN 4 H GLN 4 -14.589 1.807 1.233 21 HA GLN 4 HA GLN 4 -15.788 1.362 3.903 22 1HB GLN 4 1HB GLN 4 -17.325 0.750 1.874 23 2HB GLN 4 2HB GLN 4 -16.302 -0.679 1.733 24 1HG GLN 4 1HG GLN 4 -17.927 0.154 4.178 25 2HG GLN 4 2HG GLN 4 -18.388 -1.085 2.998 26 1HE2 GLN 4 2HE2 GLN 4 -16.871 -0.559 5.993 27 2HE2 GLN 4 1HE2 GLN 4 -15.889 -2.019 6.057 28 H LYS 5 H LYS 5 -14.612 -0.411 5.098 29 HA LYS 5 HA LYS 5 -12.485 -1.748 3.633 30 1HB LYS 5 1HB LYS 5 -10.938 -0.968 5.611 31 2HB LYS 5 2HB LYS 5 -11.199 0.034 4.180 32 1HG LYS 5 1HG LYS 5 -11.399 1.581 5.900 33 2HG LYS 5 2HG LYS 5 -13.080 1.197 5.470 34 1HD LYS 5 1HD LYS 5 -13.155 -0.415 7.392 35 2HD LYS 5 2HD LYS 5 -11.451 0.006 7.745 36 1HE LYS 5 1HE LYS 5 -12.086 2.380 8.024 37 2HE LYS 5 2HE LYS 5 -13.797 1.935 7.838 38 1HZ LYS 5 1HZ LYS 5 -11.953 0.955 9.909 39 2HZ LYS 5 2HZ LYS 5 -13.149 2.067 10.131 40 3HZ LYS 5 3HZ LYS 5 -13.535 0.507 9.759 41 H VAL 6 H VAL 6 -11.733 -3.542 4.665 42 HA VAL 6 HA VAL 6 -13.099 -4.386 7.171 43 HB VAL 6 HB VAL 6 -13.257 -6.683 6.171 44 1HG1 VAL 6 1HG1 VAL 6 -14.712 -4.469 4.664 45 2HG1 VAL 6 2HG1 VAL 6 -15.228 -6.170 4.759 46 3HG1 VAL 6 3HG1 VAL 6 -15.205 -5.162 6.226 47 1HG2 VAL 6 1HG2 VAL 6 -11.552 -6.383 4.387 48 2HG2 VAL 6 2HG2 VAL 6 -13.114 -6.921 3.719 49 3HG2 VAL 6 3HG2 VAL 6 -12.618 -5.216 3.574 50 H GLU 7 H GLU 7 -11.517 -4.917 8.696 51 HA GLU 7 HA GLU 7 -8.798 -5.026 7.576 52 1HB GLU 7 1HB GLU 7 -8.048 -4.801 9.928 53 2HB GLU 7 2HB GLU 7 -9.138 -3.475 9.480 54 1HG GLU 7 1HG GLU 7 -10.960 -4.489 10.711 55 2HG GLU 7 2HG GLU 7 -10.043 -6.000 10.927 56 H VAL 8 H VAL 8 -7.210 -6.442 8.110 57 HA VAL 8 HA VAL 8 -8.008 -9.075 9.152 58 HB VAL 8 HB VAL 8 -7.462 -10.269 7.159 59 1HG1 VAL 8 1HG2 VAL 8 -8.861 -7.706 6.290 60 2HG1 VAL 8 2HG2 VAL 8 -8.812 -9.224 5.349 61 3HG1 VAL 8 3HG2 VAL 8 -9.656 -9.175 6.921 62 1HG2 VAL 8 1HG1 VAL 8 -6.407 -7.648 6.028 63 2HG2 VAL 8 2HG1 VAL 8 -5.414 -9.021 6.586 64 3HG2 VAL 8 3HG1 VAL 8 -6.473 -9.211 5.170 65 H ARG 9 H ARG 9 -5.723 -10.512 8.848 66 HA ARG 9 HA ARG 9 -3.700 -8.668 9.959 67 1HB ARG 9 1HB ARG 9 -3.899 -10.938 10.928 68 2HB ARG 9 2HB ARG 9 -3.442 -11.613 9.320 69 1HG ARG 9 1HG ARG 9 -1.286 -10.281 9.550 70 2HG ARG 9 2HG ARG 9 -1.757 -10.040 11.257 71 1HD ARG 9 1HD ARG 9 -0.371 -12.030 11.124 72 2HD ARG 9 2HD ARG 9 -2.027 -12.550 11.448 73 HE ARG 9 HE ARG 9 -0.433 -12.965 9.015 74 1HH1 ARG 9 2HH1 ARG 9 -3.667 -13.145 10.455 75 2HH1 ARG 9 1HH1 ARG 9 -4.312 -14.160 9.189 76 1HH2 ARG 9 1HH2 ARG 9 -1.259 -14.356 7.431 77 2HH2 ARG 9 2HH2 ARG 9 -2.972 -14.661 7.317 78 H LEU 10 H LEU 10 -2.075 -7.865 8.876 79 HA LEU 10 HA LEU 10 -2.024 -7.930 6.022 80 1HB LEU 10 1HB LEU 10 -1.526 -6.000 7.483 81 2HB LEU 10 2HB LEU 10 -0.157 -6.864 8.197 82 HG LEU 10 HG LEU 10 1.093 -6.740 6.144 83 1HD1 LEU 10 1HD2 LEU 10 -1.406 -5.432 4.972 84 2HD1 LEU 10 2HD2 LEU 10 0.179 -5.577 4.168 85 3HD1 LEU 10 3HD2 LEU 10 -0.768 -7.037 4.533 86 1HD2 LEU 10 1HD1 LEU 10 0.989 -4.842 7.747 87 2HD2 LEU 10 2HD1 LEU 10 1.281 -4.297 6.082 88 3HD2 LEU 10 3HD1 LEU 10 -0.343 -4.125 6.802 89 H LYS 11 H LYS 11 -1.885 -10.333 5.950 90 HA LYS 11 HA LYS 11 0.509 -11.708 6.758 91 1HB LYS 11 1HB LYS 11 -1.597 -12.873 6.555 92 2HB LYS 11 2HB LYS 11 -1.811 -12.357 4.872 93 1HG LYS 11 1HG LYS 11 0.498 -14.111 5.652 94 2HG LYS 11 2HG LYS 11 -1.114 -14.736 5.196 95 1HD LYS 11 1HD LYS 11 0.622 -12.902 3.492 96 2HD LYS 11 2HD LYS 11 0.198 -14.584 3.126 97 1HE LYS 11 1HE LYS 11 -2.184 -13.996 2.980 98 2HE LYS 11 2HE LYS 11 -1.838 -12.365 3.601 99 1HZ LYS 11 1HZ LYS 11 -0.840 -13.372 1.057 100 2HZ LYS 11 2HZ LYS 11 -2.165 -12.399 1.249 101 3HZ LYS 11 3HZ LYS 11 -0.660 -11.867 1.684 102 H THR 12 H THR 12 -0.529 -10.037 3.781 103 HA THR 12 HA THR 12 1.603 -10.873 2.087 104 HB THR 12 HB THR 12 1.144 -8.515 1.081 105 HG1 THR 12 HG1 THR 12 -0.843 -7.618 1.890 106 1HG2 THR 12 1HG2 THR 12 -1.220 -10.393 1.401 107 2HG2 THR 12 2HG2 THR 12 -0.998 -9.189 0.109 108 3HG2 THR 12 3HG2 THR 12 0.094 -10.587 0.215 109 H GLY 13 H GLY 13 1.252 -8.242 4.449 110 1HA GLY 13 1HA GLY 13 2.649 -6.650 5.279 111 2HA GLY 13 2HA GLY 13 3.910 -7.892 5.289 112 H LEU 14 H LEU 14 2.267 -6.776 2.468 113 HA LEU 14 HA LEU 14 3.081 -6.036 0.415 114 1HB LEU 14 1HB LEU 14 3.178 -3.912 2.498 115 2HB LEU 14 2HB LEU 14 3.679 -3.544 0.843 116 HG LEU 14 HG LEU 14 1.237 -3.109 1.305 117 1HD1 LEU 14 1HD2 LEU 14 2.081 -3.463 -0.969 118 2HD1 LEU 14 2HD2 LEU 14 1.821 -5.213 -0.800 119 3HD1 LEU 14 3HD2 LEU 14 0.434 -4.098 -0.783 120 1HD2 LEU 14 1HD1 LEU 14 0.831 -5.091 2.763 121 2HD2 LEU 14 2HD1 LEU 14 -0.315 -5.006 1.401 122 3HD2 LEU 14 3HD1 LEU 14 1.049 -6.148 1.348 123 H GLN 15 H GLN 15 5.099 -7.649 1.291 124 HA GLN 15 HA GLN 15 7.584 -6.139 1.241 125 1HB GLN 15 1HB GLN 15 8.303 -8.806 0.948 126 2HB GLN 15 2HB GLN 15 8.184 -7.868 2.444 127 1HG GLN 15 1HG GLN 15 6.972 -9.811 2.898 128 2HG GLN 15 2HG GLN 15 5.738 -8.581 2.591 129 1HE2 GLN 15 2HE2 GLN 15 6.824 -11.606 1.956 130 2HE2 GLN 15 1HE2 GLN 15 5.941 -12.024 0.461 131 H ALA 16 H ALA 16 5.935 -8.357 -1.058 132 HA ALA 16 HA ALA 16 7.118 -6.826 -3.213 133 1HB ALA 16 1HB ALA 16 9.049 -8.173 -2.603 134 2HB ALA 16 2HB ALA 16 8.100 -9.668 -2.790 135 3HB ALA 16 3HB ALA 16 8.443 -8.644 -4.209 136 H ARG 17 H ARG 17 6.728 -10.092 -4.023 137 HA ARG 17 HA ARG 17 4.893 -9.644 -6.023 138 1HB ARG 17 1HB ARG 17 6.282 -11.546 -6.039 139 2HB ARG 17 2HB ARG 17 5.544 -12.212 -4.566 140 1HG ARG 17 1HG ARG 17 4.809 -13.194 -6.838 141 2HG ARG 17 2HG ARG 17 3.537 -12.762 -5.682 142 1HD ARG 17 1HD ARG 17 3.052 -12.032 -8.034 143 2HD ARG 17 2HD ARG 17 3.019 -10.729 -6.837 144 HE ARG 17 HE ARG 17 5.354 -11.247 -8.632 145 1HH1 ARG 17 2HH1 ARG 17 3.124 -9.023 -6.968 146 2HH1 ARG 17 1HH1 ARG 17 3.751 -7.610 -7.771 147 1HH2 ARG 17 1HH2 ARG 17 6.234 -9.367 -9.576 148 2HH2 ARG 17 2HH2 ARG 17 5.588 -7.793 -9.208 149 HA PRO 18 HA PRO 18 1.146 -11.321 -3.644 150 1HB PRO 18 1HB PRO 18 1.217 -11.546 -0.901 151 2HB PRO 18 2HB PRO 18 1.966 -12.830 -1.909 152 1HG PRO 18 1HG PRO 18 3.359 -10.365 -0.763 153 2HG PRO 18 2HG PRO 18 3.838 -12.041 -0.463 154 1HD PRO 18 1HD PRO 18 5.018 -10.704 -2.444 155 2HD PRO 18 2HD PRO 18 4.423 -12.358 -2.794 156 H ALA 19 H ALA 19 3.120 -9.126 -1.831 157 HA ALA 19 HA ALA 19 1.280 -7.354 -0.702 158 1HB ALA 19 1HB ALA 19 4.007 -7.149 -2.031 159 2HB ALA 19 2HB ALA 19 3.388 -5.945 -0.855 160 3HB ALA 19 3HB ALA 19 3.717 -7.635 -0.347 161 H ALA 20 H ALA 20 2.955 -7.288 -3.831 162 HA ALA 20 HA ALA 20 1.562 -4.846 -4.786 163 1HB ALA 20 1HB ALA 20 3.399 -6.887 -6.142 164 2HB ALA 20 2HB ALA 20 2.867 -5.343 -6.860 165 3HB ALA 20 3HB ALA 20 3.932 -5.343 -5.430 166 H LEU 21 H LEU 21 1.231 -8.380 -5.024 167 HA LEU 21 HA LEU 21 -0.677 -8.425 -7.144 168 1HB LEU 21 1HB LEU 21 0.524 -10.312 -5.833 169 2HB LEU 21 2HB LEU 21 -0.796 -10.179 -4.663 170 HG LEU 21 HG LEU 21 -1.158 -11.946 -6.409 171 1HD1 LEU 21 1HD2 LEU 21 -3.088 -10.889 -5.294 172 2HD1 LEU 21 2HD2 LEU 21 -3.114 -9.618 -6.538 173 3HD1 LEU 21 3HD2 LEU 21 -3.465 -11.304 -6.983 174 1HD2 LEU 21 1HD1 LEU 21 -0.027 -10.762 -8.273 175 2HD2 LEU 21 2HD1 LEU 21 -1.682 -11.244 -8.714 176 3HD2 LEU 21 3HD1 LEU 21 -1.334 -9.553 -8.289 177 H PHE 22 H PHE 22 -0.933 -8.121 -3.672 178 HA PHE 22 HA PHE 22 -3.663 -7.599 -3.210 179 1HB PHE 22 1HB PHE 22 -2.234 -7.995 -1.389 180 2HB PHE 22 2HB PHE 22 -1.036 -6.828 -1.967 181 HD1 PHE 22 HD1 PHE 22 -4.707 -6.283 -1.345 182 HD2 PHE 22 HD2 PHE 22 -0.635 -5.215 -0.486 183 HE1 PHE 22 HE1 PHE 22 -5.493 -4.297 -0.076 184 HE2 PHE 22 HE2 PHE 22 -1.420 -3.277 0.861 185 HZ PHE 22 HZ PHE 22 -3.857 -2.851 1.111 186 H VAL 23 H VAL 23 -1.027 -5.070 -3.428 187 HA VAL 23 HA VAL 23 -2.764 -2.927 -3.676 188 HB VAL 23 HB VAL 23 -0.985 -1.682 -4.506 189 1HG1 VAL 23 1HG1 VAL 23 -0.404 -2.372 -2.301 190 2HG1 VAL 23 2HG1 VAL 23 0.484 -3.781 -2.947 191 3HG1 VAL 23 3HG1 VAL 23 1.014 -2.120 -3.321 192 1HG2 VAL 23 1HG2 VAL 23 -0.783 -2.821 -6.503 193 2HG2 VAL 23 2HG2 VAL 23 0.823 -2.443 -5.844 194 3HG2 VAL 23 3HG2 VAL 23 0.147 -4.120 -5.751 195 H GLN 24 H GLN 24 -1.633 -5.189 -6.173 196 HA GLN 24 HA GLN 24 -2.406 -3.901 -8.507 197 1HB GLN 24 1HB GLN 24 -0.918 -5.806 -8.393 198 2HB GLN 24 2HB GLN 24 -2.190 -6.836 -7.721 199 1HG GLN 24 1HG GLN 24 -2.890 -5.556 -10.278 200 2HG GLN 24 2HG GLN 24 -1.513 -6.668 -10.377 201 1HE2 GLN 24 2HE2 GLN 24 -3.339 -7.905 -7.811 202 2HE2 GLN 24 1HE2 GLN 24 -4.270 -9.040 -8.761 203 H GLU 25 H GLU 25 -4.227 -6.313 -6.555 204 HA GLU 25 HA GLU 25 -6.573 -5.994 -8.306 205 1HB GLU 25 1HB GLU 25 -7.634 -7.401 -6.377 206 2HB GLU 25 2HB GLU 25 -6.372 -8.181 -7.353 207 1HG GLU 25 1HG GLU 25 -4.680 -7.711 -5.654 208 2HG GLU 25 2HG GLU 25 -5.869 -6.839 -4.669 209 H ALA 26 H ALA 26 -5.563 -4.818 -5.083 210 HA ALA 26 HA ALA 26 -7.881 -3.351 -4.441 211 1HB ALA 26 1HB ALA 26 -5.857 -3.585 -3.008 212 2HB ALA 26 2HB ALA 26 -4.956 -2.553 -4.146 213 3HB ALA 26 3HB ALA 26 -6.323 -1.879 -3.225 214 H ASN 27 H ASN 27 -5.172 -2.604 -6.594 215 HA ASN 27 HA ASN 27 -5.906 0.004 -7.500 216 1HB ASN 27 1HB ASN 27 -4.055 -2.237 -8.111 217 2HB ASN 27 2HB ASN 27 -4.537 -1.321 -9.530 218 1HD2 ASN 27 2HD2 ASN 27 -2.353 -1.438 -7.032 219 2HD2 ASN 27 1HD2 ASN 27 -1.740 0.206 -6.979 220 H ARG 28 H ARG 28 -6.614 -3.251 -8.481 221 HA ARG 28 HA ARG 28 -7.421 -2.924 -11.234 222 1HB ARG 28 1HB ARG 28 -7.670 -4.839 -8.912 223 2HB ARG 28 2HB ARG 28 -8.606 -5.173 -10.341 224 1HG ARG 28 1HG ARG 28 -6.529 -5.062 -11.734 225 2HG ARG 28 2HG ARG 28 -5.603 -4.703 -10.269 226 1HD ARG 28 1HD ARG 28 -5.443 -7.093 -10.958 227 2HD ARG 28 2HD ARG 28 -6.076 -6.878 -9.319 228 HE ARG 28 HE ARG 28 -8.384 -7.059 -10.592 229 1HH1 ARG 28 2HH1 ARG 28 -5.397 -8.842 -11.261 230 2HH1 ARG 28 1HH1 ARG 28 -6.210 -10.269 -11.835 231 1HH2 ARG 28 1HH2 ARG 28 -9.462 -8.925 -11.365 232 2HH2 ARG 28 2HH2 ARG 28 -8.562 -10.317 -11.900 233 H PHE 29 H PHE 29 -8.891 -3.169 -8.105 234 HA PHE 29 HA PHE 29 -11.565 -2.389 -8.615 235 1HB PHE 29 1HB PHE 29 -9.556 -2.411 -6.359 236 2HB PHE 29 2HB PHE 29 -11.169 -1.813 -6.096 237 HD1 PHE 29 HD1 PHE 29 -9.508 -4.500 -5.205 238 HD2 PHE 29 HD2 PHE 29 -12.615 -3.685 -8.054 239 HE1 PHE 29 HE1 PHE 29 -10.232 -6.871 -5.088 240 HE2 PHE 29 HE2 PHE 29 -13.292 -6.071 -8.008 241 HZ PHE 29 HZ PHE 29 -12.152 -7.652 -6.472 242 H THR 30 H THR 30 -12.333 -0.493 -9.164 243 HA THR 30 HA THR 30 -10.599 1.799 -9.579 244 HB THR 30 HB THR 30 -12.915 2.690 -10.388 245 HG1 THR 30 HG1 THR 30 -14.241 0.711 -10.836 246 1HG2 THR 30 1HG2 THR 30 -11.697 0.107 -11.464 247 2HG2 THR 30 2HG2 THR 30 -12.720 1.223 -12.405 248 3HG2 THR 30 3HG2 THR 30 -11.114 1.749 -11.829 249 H SER 31 H SER 31 -10.376 1.460 -7.012 250 HA SER 31 HA SER 31 -12.088 3.463 -5.661 251 1HB SER 31 1HB SER 31 -11.032 0.838 -4.545 252 2HB SER 31 2HB SER 31 -12.246 1.901 -3.797 253 HG SER 31 HG SER 31 -12.975 -0.089 -4.985 254 H ASP 32 H ASP 32 -11.166 4.595 -3.950 255 HA ASP 32 HA ASP 32 -8.303 4.806 -3.646 256 1HB ASP 32 1HB ASP 32 -10.743 6.058 -2.648 257 2HB ASP 32 2HB ASP 32 -9.718 5.542 -1.297 258 H VAL 33 H VAL 33 -7.884 2.458 -3.457 259 HA VAL 33 HA VAL 33 -9.045 1.083 -1.174 260 HB VAL 33 HB VAL 33 -7.780 -0.846 -1.892 261 1HG1 VAL 33 1HG2 VAL 33 -8.895 0.875 -4.145 262 2HG1 VAL 33 2HG2 VAL 33 -8.689 -0.894 -4.233 263 3HG1 VAL 33 3HG2 VAL 33 -9.842 -0.177 -3.068 264 1HG2 VAL 33 1HG1 VAL 33 -6.426 1.096 -3.815 265 2HG2 VAL 33 2HG1 VAL 33 -5.661 0.324 -2.404 266 3HG2 VAL 33 3HG1 VAL 33 -6.191 -0.668 -3.789 267 H PHE 34 H PHE 34 -7.990 0.285 0.620 268 HA PHE 34 HA PHE 34 -5.532 1.764 1.363 269 1HB PHE 34 1HB PHE 34 -8.158 2.010 2.868 270 2HB PHE 34 2HB PHE 34 -6.592 2.616 3.408 271 HD1 PHE 34 HD1 PHE 34 -5.384 3.956 1.248 272 HD2 PHE 34 HD2 PHE 34 -9.578 3.737 2.170 273 HE1 PHE 34 HE1 PHE 34 -5.748 6.099 0.046 274 HE2 PHE 34 HE2 PHE 34 -9.961 5.869 0.974 275 HZ PHE 34 HZ PHE 34 -8.050 7.070 -0.079 276 H LEU 35 H LEU 35 -4.825 1.298 3.530 277 HA LEU 35 HA LEU 35 -5.706 -1.277 4.667 278 1HB LEU 35 1HB LEU 35 -3.682 -1.482 3.044 279 2HB LEU 35 2HB LEU 35 -2.765 -0.574 4.273 280 HG LEU 35 HG LEU 35 -3.370 -2.313 5.954 281 1HD1 LEU 35 1HD2 LEU 35 -4.731 -3.617 3.556 282 2HD1 LEU 35 2HD2 LEU 35 -4.562 -4.345 5.170 283 3HD1 LEU 35 3HD2 LEU 35 -5.565 -2.892 4.950 284 1HD2 LEU 35 1HD1 LEU 35 -1.320 -2.623 4.587 285 2HD2 LEU 35 2HD1 LEU 35 -2.076 -4.185 4.984 286 3HD2 LEU 35 3HD1 LEU 35 -2.276 -3.488 3.360 287 H GLU 36 H GLU 36 -6.264 -0.694 6.691 288 HA GLU 36 HA GLU 36 -4.937 1.674 7.933 289 1HB GLU 36 1HB GLU 36 -7.368 0.254 8.995 290 2HB GLU 36 2HB GLU 36 -6.894 1.948 9.214 291 1HG GLU 36 1HG GLU 36 -7.497 2.438 6.895 292 2HG GLU 36 2HG GLU 36 -7.844 0.734 6.594 293 H LYS 37 H LYS 37 -3.061 0.714 8.978 294 HA LYS 37 HA LYS 37 -2.991 -1.822 10.283 295 1HB LYS 37 1HB LYS 37 -1.435 0.772 10.288 296 2HB LYS 37 2HB LYS 37 -0.985 -0.576 11.336 297 1HG LYS 37 1HG LYS 37 -0.669 -2.053 9.421 298 2HG LYS 37 2HG LYS 37 -1.261 -0.804 8.305 299 1HD LYS 37 1HD LYS 37 1.262 -0.930 8.411 300 2HD LYS 37 2HD LYS 37 0.622 0.658 8.908 301 1HE LYS 37 1HE LYS 37 0.733 -0.068 11.293 302 2HE LYS 37 2HE LYS 37 1.450 -1.609 10.775 303 1HZ LYS 37 1HZ LYS 37 2.632 1.033 10.273 304 2HZ LYS 37 2HZ LYS 37 3.092 -0.010 11.467 305 3HZ LYS 37 3HZ LYS 37 3.278 -0.441 9.890 306 H ASP 38 H ASP 38 -4.746 -2.042 11.717 307 HA ASP 38 HA ASP 38 -6.091 -1.632 13.522 308 1HB ASP 38 1HB ASP 38 -3.459 -0.538 14.571 309 2HB ASP 38 2HB ASP 38 -4.922 -0.746 15.556 310 H GLY 39 H GLY 39 -5.962 0.353 11.351 311 1HA GLY 39 1HA GLY 39 -7.476 2.342 11.467 312 2HA GLY 39 2HA GLY 39 -6.627 2.764 12.971 313 H LYS 40 H LYS 40 -3.940 1.906 11.605 314 HA LYS 40 HA LYS 40 -3.296 4.537 10.602 315 1HB LYS 40 1HB LYS 40 -1.661 2.006 10.359 316 2HB LYS 40 2HB LYS 40 -1.070 3.673 10.364 317 1HG LYS 40 1HG LYS 40 -2.129 2.038 12.697 318 2HG LYS 40 2HG LYS 40 -0.486 2.630 12.432 319 1HD LYS 40 1HD LYS 40 -1.224 4.176 13.977 320 2HD LYS 40 2HD LYS 40 -1.647 5.022 12.473 321 1HE LYS 40 1HE LYS 40 -3.530 5.016 14.126 322 2HE LYS 40 2HE LYS 40 -3.948 4.133 12.642 323 1HZ LYS 40 1HZ LYS 40 -3.386 2.093 13.782 324 2HZ LYS 40 2HZ LYS 40 -3.061 2.921 15.171 325 3HZ LYS 40 3HZ LYS 40 -4.594 2.881 14.560 326 H LYS 41 H LYS 41 -4.992 4.449 8.917 327 HA LYS 41 HA LYS 41 -4.676 2.595 6.727 328 1HB LYS 41 1HB LYS 41 -6.851 3.167 7.185 329 2HB LYS 41 2HB LYS 41 -6.470 4.861 7.469 330 1HG LYS 41 1HG LYS 41 -6.165 3.731 4.684 331 2HG LYS 41 2HG LYS 41 -7.771 4.203 5.287 332 1HD LYS 41 1HD LYS 41 -6.992 6.457 5.793 333 2HD LYS 41 2HD LYS 41 -5.325 6.025 5.354 334 1HE LYS 41 1HE LYS 41 -6.072 5.528 3.031 335 2HE LYS 41 2HE LYS 41 -7.721 5.983 3.460 336 1HZ LYS 41 1HZ LYS 41 -5.378 7.751 3.562 337 2HZ LYS 41 2HZ LYS 41 -6.556 7.757 2.409 338 3HZ LYS 41 3HZ LYS 41 -6.920 8.182 3.959 339 H VAL 42 H VAL 42 -4.066 2.759 4.814 340 HA VAL 42 HA VAL 42 -2.962 5.239 3.616 341 HB VAL 42 HB VAL 42 -1.104 4.106 4.813 342 1HG1 VAL 42 1HG2 VAL 42 -1.987 1.728 3.117 343 2HG1 VAL 42 2HG2 VAL 42 -0.507 1.756 4.122 344 3HG1 VAL 42 3HG2 VAL 42 -2.117 1.861 4.882 345 1HG2 VAL 42 1HG1 VAL 42 -0.537 5.176 2.713 346 2HG2 VAL 42 2HG1 VAL 42 0.449 3.717 2.996 347 3HG2 VAL 42 3HG1 VAL 42 -0.906 3.660 1.843 348 H ASN 43 H ASN 43 -2.263 4.800 1.352 349 HA ASN 43 HA ASN 43 -4.405 3.548 -0.145 350 1HB ASN 43 1HB ASN 43 -1.614 4.507 -0.918 351 2HB ASN 43 2HB ASN 43 -2.827 3.940 -2.076 352 1HD2 ASN 43 2HD2 ASN 43 -2.349 6.007 -3.041 353 2HD2 ASN 43 1HD2 ASN 43 -3.207 7.444 -2.445 354 H ALA 44 H ALA 44 -4.661 1.567 0.183 355 HA ALA 44 HA ALA 44 -2.883 -0.509 0.676 356 1HB ALA 44 1HB ALA 44 -5.472 -0.548 -0.941 357 2HB ALA 44 2HB ALA 44 -4.691 -1.989 -0.260 358 3HB ALA 44 3HB ALA 44 -5.349 -0.736 0.822 359 H LYS 45 H LYS 45 -3.936 0.829 -2.394 360 HA LYS 45 HA LYS 45 -2.445 -1.161 -3.975 361 1HB LYS 45 1HB LYS 45 -3.456 0.053 -5.876 362 2HB LYS 45 2HB LYS 45 -4.688 -0.472 -4.708 363 1HG LYS 45 1HG LYS 45 -4.907 1.764 -3.816 364 2HG LYS 45 2HG LYS 45 -3.407 2.282 -4.612 365 1HD LYS 45 1HD LYS 45 -5.228 3.173 -5.876 366 2HD LYS 45 2HD LYS 45 -4.471 1.887 -6.842 367 1HE LYS 45 1HE LYS 45 -6.258 0.299 -6.008 368 2HE LYS 45 2HE LYS 45 -7.069 1.676 -5.232 369 1HZ LYS 45 1HZ LYS 45 -6.508 1.488 -8.106 370 2HZ LYS 45 2HZ LYS 45 -7.951 1.152 -7.387 371 3HZ LYS 45 3HZ LYS 45 -7.342 2.683 -7.328 372 H SER 46 H SER 46 -1.609 1.713 -2.416 373 HA SER 46 HA SER 46 0.161 2.643 -4.605 374 1HB SER 46 1HB SER 46 -0.803 3.859 -1.995 375 2HB SER 46 2HB SER 46 0.429 4.587 -3.025 376 HG SER 46 HG SER 46 -1.288 4.394 -4.749 377 H ILE 47 H ILE 47 2.178 3.451 -4.081 378 HA ILE 47 HA ILE 47 4.171 2.064 -2.914 379 HB ILE 47 HB ILE 47 4.662 3.959 -4.202 380 1HG1 ILE 47 1HG1 ILE 47 6.180 3.612 -2.120 381 2HG1 ILE 47 2HG1 ILE 47 6.312 5.129 -3.035 382 1HG2 ILE 47 1HG2 ILE 47 2.598 5.242 -3.782 383 2HG2 ILE 47 2HG2 ILE 47 3.241 5.727 -2.193 384 3HG2 ILE 47 3HG2 ILE 47 4.052 6.261 -3.681 385 1HD1 ILE 47 1HD1 ILE 47 4.799 6.257 -1.425 386 2HD1 ILE 47 2HD1 ILE 47 4.727 4.774 -0.462 387 3HD1 ILE 47 3HD1 ILE 47 6.268 5.639 -0.630 388 H MET 48 H MET 48 2.480 4.709 -1.164 389 HA MET 48 HA MET 48 3.829 4.203 1.284 390 1HB MET 48 1HB MET 48 2.767 6.346 0.702 391 2HB MET 48 2HB MET 48 1.174 5.568 0.741 392 1HG MET 48 1HG MET 48 1.694 4.900 3.139 393 2HG MET 48 2HG MET 48 3.118 5.946 3.055 394 1HE MET 48 1HE MET 48 2.211 7.068 5.264 395 2HE MET 48 2HE MET 48 0.598 7.805 5.423 396 3HE MET 48 3HE MET 48 0.752 6.042 5.234 397 H GLY 49 H GLY 49 1.119 2.521 -0.193 398 1HA GLY 49 1HA GLY 49 0.243 1.421 2.370 399 2HA GLY 49 2HA GLY 49 -0.319 0.931 0.741 400 H LEU 50 H LEU 50 1.756 0.159 -0.682 401 HA LEU 50 HA LEU 50 2.682 -2.320 0.191 402 1HB LEU 50 1HB LEU 50 3.478 -0.291 -1.814 403 2HB LEU 50 2HB LEU 50 4.790 -1.367 -1.287 404 HG LEU 50 HG LEU 50 2.098 -2.481 -2.149 405 1HD1 LEU 50 1HD1 LEU 50 2.923 -1.030 -3.971 406 2HD1 LEU 50 2HD1 LEU 50 4.496 -1.862 -3.922 407 3HD1 LEU 50 3HD1 LEU 50 3.035 -2.750 -4.416 408 1HD2 LEU 50 1HD2 LEU 50 3.724 -3.997 -0.998 409 2HD2 LEU 50 2HD2 LEU 50 3.492 -4.463 -2.699 410 3HD2 LEU 50 3HD2 LEU 50 4.954 -3.581 -2.213 411 H MET 51 H MET 51 4.805 0.556 0.016 412 HA MET 51 HA MET 51 6.825 -0.816 1.461 413 1HB MET 51 1HB MET 51 7.312 0.825 -0.310 414 2HB MET 51 2HB MET 51 6.487 2.090 0.626 415 1HG MET 51 1HG MET 51 8.173 1.722 2.463 416 2HG MET 51 2HG MET 51 9.070 0.671 1.356 417 1HE MET 51 1HE MET 51 7.016 3.739 0.231 418 2HE MET 51 2HE MET 51 7.542 4.276 1.843 419 3HE MET 51 3HE MET 51 8.166 5.092 0.388 420 H SER 52 H SER 52 4.561 1.854 2.309 421 HA SER 52 HA SER 52 5.871 2.173 4.872 422 1HB SER 52 1HB SER 52 3.329 3.476 3.887 423 2HB SER 52 2HB SER 52 4.382 4.034 5.210 424 HG SER 52 HG SER 52 6.056 4.206 3.557 425 H LEU 53 H LEU 53 2.314 1.797 4.371 426 HA LEU 53 HA LEU 53 2.181 0.874 7.143 427 1HB LEU 53 1HB LEU 53 0.041 1.391 5.096 428 2HB LEU 53 2HB LEU 53 -0.231 0.827 6.753 429 HG LEU 53 HG LEU 53 -0.451 3.142 6.904 430 1HD1 LEU 53 1HD1 LEU 53 0.997 2.218 8.662 431 2HD1 LEU 53 2HD1 LEU 53 2.428 2.520 7.644 432 3HD1 LEU 53 3HD1 LEU 53 1.468 3.887 8.263 433 1HD2 LEU 53 1HD2 LEU 53 0.522 3.663 4.668 434 2HD2 LEU 53 2HD2 LEU 53 1.135 4.762 5.939 435 3HD2 LEU 53 3HD2 LEU 53 2.147 3.421 5.347 436 H ALA 54 H ALA 54 1.112 -0.445 4.030 437 HA ALA 54 HA ALA 54 0.127 -2.944 4.977 438 1HB ALA 54 1HB ALA 54 -0.623 -1.857 2.892 439 2HB ALA 54 2HB ALA 54 1.011 -2.040 2.215 440 3HB ALA 54 3HB ALA 54 0.034 -3.478 2.572 441 H VAL 55 H VAL 55 3.404 -1.842 4.400 442 HA VAL 55 HA VAL 55 4.513 -4.429 3.943 443 HB VAL 55 HB VAL 55 5.585 -2.153 3.558 444 1HG1 VAL 55 1HG1 VAL 55 5.121 -1.221 5.827 445 2HG1 VAL 55 2HG1 VAL 55 6.197 -2.451 6.535 446 3HG1 VAL 55 3HG1 VAL 55 6.854 -1.208 5.441 447 1HG2 VAL 55 1HG2 VAL 55 6.792 -4.281 3.354 448 2HG2 VAL 55 2HG2 VAL 55 7.845 -3.026 4.054 449 3HG2 VAL 55 3HG2 VAL 55 7.122 -4.274 5.101 450 H SER 56 H SER 56 2.939 -3.233 6.749 451 HA SER 56 HA SER 56 4.707 -4.588 8.582 452 1HB SER 56 1HB SER 56 1.897 -3.539 9.085 453 2HB SER 56 2HB SER 56 3.153 -3.827 10.296 454 HG SER 56 HG SER 56 3.146 -1.895 8.191 455 H THR 57 H THR 57 4.526 -6.659 7.199 456 HA THR 57 HA THR 57 2.490 -8.413 7.185 457 HB THR 57 HB THR 57 5.163 -9.390 8.154 458 HG1 THR 57 HG1 THR 57 5.862 -9.056 5.917 459 1HG2 THR 57 1HG2 THR 57 4.682 -11.026 6.319 460 2HG2 THR 57 2HG2 THR 57 3.355 -10.948 7.508 461 3HG2 THR 57 3HG2 THR 57 3.193 -10.126 5.940 462 H GLY 58 H GLY 58 1.085 -9.102 8.622 463 1HA GLY 58 1HA GLY 58 0.536 -10.430 10.551 464 2HA GLY 58 2HA GLY 58 1.977 -9.802 11.367 465 H THR 59 H THR 59 0.629 -7.088 9.959 466 HA THR 59 HA THR 59 -0.521 -6.363 12.584 467 HB THR 59 HB THR 59 -0.270 -4.644 10.094 468 HG1 THR 59 HG1 THR 59 1.749 -5.485 10.749 469 1HG2 THR 59 1HG2 THR 59 -0.265 -2.787 11.722 470 2HG2 THR 59 2HG2 THR 59 -1.744 -3.764 11.884 471 3HG2 THR 59 3HG2 THR 59 -0.419 -3.950 13.056 472 H GLU 60 H GLU 60 -2.762 -6.154 12.973 473 HA GLU 60 HA GLU 60 -4.516 -7.016 10.802 474 1HB GLU 60 1HB GLU 60 -5.437 -5.778 13.404 475 2HB GLU 60 2HB GLU 60 -6.291 -6.912 12.315 476 1HG GLU 60 1HG GLU 60 -3.792 -7.635 13.891 477 2HG GLU 60 2HG GLU 60 -5.453 -8.016 14.392 478 H VAL 61 H VAL 61 -4.764 -5.701 9.163 479 HA VAL 61 HA VAL 61 -5.182 -2.807 9.719 480 HB VAL 61 HB VAL 61 -3.875 -2.321 7.688 481 1HG1 VAL 61 1HG1 VAL 61 -2.666 -2.610 9.888 482 2HG1 VAL 61 2HG1 VAL 61 -2.439 -4.326 9.488 483 3HG1 VAL 61 3HG1 VAL 61 -1.662 -3.073 8.491 484 1HG2 VAL 61 1HG2 VAL 61 -4.377 -4.453 6.483 485 2HG2 VAL 61 2HG2 VAL 61 -2.625 -4.116 6.580 486 3HG2 VAL 61 3HG2 VAL 61 -3.358 -5.324 7.668 487 H THR 62 H THR 62 -6.912 -1.892 8.779 488 HA THR 62 HA THR 62 -8.820 -3.646 7.514 489 HB THR 62 HB THR 62 -9.075 -0.648 7.635 490 HG1 THR 62 HG1 THR 62 -9.464 -0.727 9.742 491 1HG2 THR 62 1HG2 THR 62 -11.445 -1.302 8.235 492 2HG2 THR 62 2HG2 THR 62 -10.953 -1.924 6.651 493 3HG2 THR 62 3HG2 THR 62 -10.967 -3.001 8.067 494 H LEU 63 H LEU 63 -8.922 -4.147 5.355 495 HA LEU 63 HA LEU 63 -7.554 -2.426 3.440 496 1HB LEU 63 1HB LEU 63 -8.949 -5.124 3.398 497 2HB LEU 63 2HB LEU 63 -8.570 -4.218 1.920 498 HG LEU 63 HG LEU 63 -6.236 -3.842 3.129 499 1HD1 LEU 63 1HD1 LEU 63 -7.236 -6.493 4.259 500 2HD1 LEU 63 2HD1 LEU 63 -5.570 -5.868 4.395 501 3HD1 LEU 63 3HD1 LEU 63 -6.912 -5.012 5.193 502 1HD2 LEU 63 1HD2 LEU 63 -6.692 -4.899 0.940 503 2HD2 LEU 63 2HD2 LEU 63 -5.357 -5.676 1.820 504 3HD2 LEU 63 3HD2 LEU 63 -6.961 -6.450 1.771 505 H ILE 64 H ILE 64 -8.461 -0.759 2.746 506 HA ILE 64 HA ILE 64 -11.417 -0.472 2.680 507 HB ILE 64 HB ILE 64 -9.342 1.665 2.082 508 1HG1 ILE 64 1HG1 ILE 64 -10.404 0.908 4.817 509 2HG1 ILE 64 2HG1 ILE 64 -8.707 0.882 4.289 510 1HG2 ILE 64 1HG2 ILE 64 -12.190 1.759 3.143 511 2HG2 ILE 64 2HG2 ILE 64 -11.149 3.176 2.863 512 3HG2 ILE 64 3HG2 ILE 64 -11.666 2.164 1.492 513 1HD1 ILE 64 1HD1 ILE 64 -10.542 3.315 4.442 514 2HD1 ILE 64 2HD1 ILE 64 -9.249 2.920 5.599 515 3HD1 ILE 64 3HD1 ILE 64 -8.842 3.353 3.911 516 H ALA 65 H ALA 65 -12.337 0.499 0.816 517 HA ALA 65 HA ALA 65 -10.759 1.052 -1.515 518 1HB ALA 65 1HB ALA 65 -12.965 -1.037 -1.671 519 2HB ALA 65 2HB ALA 65 -12.160 -0.289 -3.065 520 3HB ALA 65 3HB ALA 65 -11.242 -1.351 -1.973 521 H GLN 66 H GLN 66 -11.391 2.999 -1.750 522 HA GLN 66 HA GLN 66 -14.288 3.479 -1.429 523 1HB GLN 66 1HB GLN 66 -13.007 4.528 0.344 524 2HB GLN 66 2HB GLN 66 -11.828 5.180 -0.777 525 1HG GLN 66 1HG GLN 66 -14.604 5.973 -1.362 526 2HG GLN 66 2HG GLN 66 -14.049 6.467 0.256 527 1HE2 GLN 66 2HE2 GLN 66 -11.519 7.180 0.087 528 2HE2 GLN 66 1HE2 GLN 66 -11.195 8.373 -1.164 529 H GLY 67 H GLY 67 -14.301 2.600 -3.473 530 1HA GLY 67 1HA GLY 67 -13.907 4.598 -5.641 531 2HA GLY 67 2HA GLY 67 -13.235 2.981 -5.784 532 H GLU 68 H GLU 68 -14.512 2.716 -7.558 533 HA GLU 68 HA GLU 68 -17.374 2.372 -7.440 534 1HB GLU 68 1HB GLU 68 -15.099 1.421 -9.212 535 2HB GLU 68 2HB GLU 68 -16.803 1.107 -9.611 536 1HG GLU 68 1HG GLU 68 -15.513 3.846 -9.174 537 2HG GLU 68 2HG GLU 68 -15.941 3.163 -10.757 538 H ASP 69 H ASP 69 -14.494 0.151 -7.146 539 HA ASP 69 HA ASP 69 -16.387 -2.031 -6.317 540 1HB ASP 69 1HB ASP 69 -13.428 -2.271 -6.649 541 2HB ASP 69 2HB ASP 69 -14.654 -3.534 -6.657 542 H GLU 70 H GLU 70 -16.515 0.043 -4.500 543 HA GLU 70 HA GLU 70 -14.170 0.143 -2.885 544 1HB GLU 70 1HB GLU 70 -15.417 1.514 -1.462 545 2HB GLU 70 2HB GLU 70 -15.835 1.972 -3.113 546 1HG GLU 70 1HG GLU 70 -17.606 0.324 -1.278 547 2HG GLU 70 2HG GLU 70 -17.735 2.069 -1.559 548 H GLN 71 H GLN 71 -17.425 -1.203 -2.286 549 HA GLN 71 HA GLN 71 -16.790 -2.687 0.000 550 1HB GLN 71 1HB GLN 71 -19.070 -2.201 -0.885 551 2HB GLN 71 2HB GLN 71 -18.799 -3.380 -2.189 552 1HG GLN 71 1HG GLN 71 -20.087 -4.324 -0.262 553 2HG GLN 71 2HG GLN 71 -18.551 -5.181 -0.524 554 1HE2 GLN 71 2HE2 GLN 71 -16.749 -4.745 0.874 555 2HE2 GLN 71 1HE2 GLN 71 -17.005 -3.972 2.456 556 H GLU 72 H GLU 72 -16.554 -3.551 -3.436 557 HA GLU 72 HA GLU 72 -15.971 -6.316 -3.089 558 1HB GLU 72 1HB GLU 72 -16.807 -5.445 -5.220 559 2HB GLU 72 2HB GLU 72 -15.517 -4.218 -5.263 560 1HG GLU 72 1HG GLU 72 -15.002 -5.946 -6.829 561 2HG GLU 72 2HG GLU 72 -13.817 -5.949 -5.516 562 H ALA 73 H ALA 73 -13.906 -3.436 -3.803 563 HA ALA 73 HA ALA 73 -11.481 -4.859 -4.020 564 1HB ALA 73 1HB ALA 73 -12.257 -2.039 -3.247 565 2HB ALA 73 2HB ALA 73 -10.580 -2.507 -3.677 566 3HB ALA 73 3HB ALA 73 -11.921 -2.623 -4.868 567 H LEU 74 H LEU 74 -12.849 -2.932 -1.327 568 HA LEU 74 HA LEU 74 -10.780 -3.341 0.510 569 1HB LEU 74 1HB LEU 74 -12.427 -2.567 2.134 570 2HB LEU 74 2HB LEU 74 -12.632 -1.729 0.569 571 HG LEU 74 HG LEU 74 -14.313 -3.655 0.053 572 1HD1 LEU 74 1HD1 LEU 74 -13.805 -4.859 2.174 573 2HD1 LEU 74 2HD1 LEU 74 -14.483 -3.470 3.082 574 3HD1 LEU 74 3HD1 LEU 74 -15.518 -4.429 1.993 575 1HD2 LEU 74 1HD2 LEU 74 -14.859 -1.287 0.130 576 2HD2 LEU 74 2HD2 LEU 74 -16.140 -2.253 0.878 577 3HD2 LEU 74 3HD2 LEU 74 -14.995 -1.342 1.900 578 H GLU 75 H GLU 75 -13.729 -5.398 -0.003 579 HA GLU 75 HA GLU 75 -12.936 -7.150 2.122 580 1HB GLU 75 1HB GLU 75 -14.803 -8.559 1.364 581 2HB GLU 75 2HB GLU 75 -15.275 -6.858 1.562 582 1HG GLU 75 1HG GLU 75 -15.095 -6.505 -0.863 583 2HG GLU 75 2HG GLU 75 -14.563 -8.181 -1.088 584 H LYS 76 H LYS 76 -12.560 -7.488 -1.507 585 HA LYS 76 HA LYS 76 -11.669 -10.212 -1.006 586 1HB LYS 76 1HB LYS 76 -11.738 -10.561 -3.194 587 2HB LYS 76 2HB LYS 76 -12.793 -9.135 -3.136 588 1HG LYS 76 1HG LYS 76 -11.110 -7.742 -4.056 589 2HG LYS 76 2HG LYS 76 -9.825 -8.968 -3.747 590 1HD LYS 76 1HD LYS 76 -11.240 -10.557 -5.204 591 2HD LYS 76 2HD LYS 76 -12.146 -9.129 -5.713 592 1HE LYS 76 1HE LYS 76 -10.415 -9.550 -7.370 593 2HE LYS 76 2HE LYS 76 -9.873 -8.135 -6.450 594 1HZ LYS 76 1HZ LYS 76 -9.034 -10.920 -6.003 595 2HZ LYS 76 2HZ LYS 76 -8.149 -9.761 -6.767 596 3HZ LYS 76 3HZ LYS 76 -8.492 -9.610 -5.161 597 H LEU 77 H LEU 77 -10.232 -7.037 -1.455 598 HA LEU 77 HA LEU 77 -7.498 -7.840 -1.517 599 1HB LEU 77 1HB LEU 77 -8.977 -5.343 -0.657 600 2HB LEU 77 2HB LEU 77 -7.228 -5.541 -0.356 601 HG LEU 77 HG LEU 77 -7.478 -4.428 -2.528 602 1HD1 LEU 77 1HD2 LEU 77 -5.743 -6.191 -2.135 603 2HD1 LEU 77 2HD2 LEU 77 -6.915 -7.393 -2.764 604 3HD1 LEU 77 3HD2 LEU 77 -6.298 -6.118 -3.848 605 1HD2 LEU 77 1HD1 LEU 77 -8.951 -6.973 -3.329 606 2HD2 LEU 77 2HD1 LEU 77 -9.708 -5.361 -3.225 607 3HD2 LEU 77 3HD1 LEU 77 -8.428 -5.680 -4.436 608 H ALA 78 H ALA 78 -9.598 -6.891 1.322 609 HA ALA 78 HA ALA 78 -7.622 -7.508 3.239 610 1HB ALA 78 1HB ALA 78 -9.667 -6.224 3.733 611 2HB ALA 78 2HB ALA 78 -10.642 -7.696 3.501 612 3HB ALA 78 3HB ALA 78 -9.474 -7.594 4.839 613 H ALA 79 H ALA 79 -9.923 -9.657 1.537 614 HA ALA 79 HA ALA 79 -9.450 -11.978 3.142 615 1HB ALA 79 1HB ALA 79 -11.262 -11.765 1.442 616 2HB ALA 79 2HB ALA 79 -10.024 -11.705 0.160 617 3HB ALA 79 3HB ALA 79 -10.232 -13.184 1.127 618 H TYR 80 H TYR 80 -7.961 -10.773 0.124 619 HA TYR 80 HA TYR 80 -6.085 -12.839 -0.260 620 1HB TYR 80 1HB TYR 80 -6.870 -11.142 -1.885 621 2HB TYR 80 2HB TYR 80 -5.978 -9.900 -1.002 622 HD1 TYR 80 HD1 TYR 80 -5.155 -13.356 -2.259 623 HD2 TYR 80 HD2 TYR 80 -3.963 -9.237 -1.893 624 HE1 TYR 80 HE1 TYR 80 -2.922 -13.919 -3.190 625 HE2 TYR 80 HE2 TYR 80 -1.712 -9.814 -2.813 626 HH TYR 80 HH TYR 80 -0.814 -13.173 -3.556 627 H VAL 81 H VAL 81 -5.582 -9.610 1.162 628 HA VAL 81 HA VAL 81 -2.855 -9.690 1.639 629 HB VAL 81 HB VAL 81 -3.280 -7.948 3.323 630 1HG1 VAL 81 1HG2 VAL 81 -3.385 -7.501 0.886 631 2HG1 VAL 81 2HG2 VAL 81 -5.125 -7.882 0.912 632 3HG1 VAL 81 3HG2 VAL 81 -4.516 -6.458 1.795 633 1HG2 VAL 81 1HG1 VAL 81 -6.186 -8.811 2.938 634 2HG2 VAL 81 2HG1 VAL 81 -5.222 -9.037 4.404 635 3HG2 VAL 81 3HG1 VAL 81 -5.656 -7.394 3.883 636 H GLN 82 H GLN 82 -5.413 -11.033 3.762 637 HA GLN 82 HA GLN 82 -3.358 -11.689 5.771 638 1HB GLN 82 1HB GLN 82 -5.344 -12.352 7.081 639 2HB GLN 82 2HB GLN 82 -5.638 -10.767 6.318 640 1HG GLN 82 1HG GLN 82 -6.837 -11.940 4.452 641 2HG GLN 82 2HG GLN 82 -6.374 -13.466 5.183 642 1HE2 GLN 82 2HE2 GLN 82 -8.639 -10.998 5.097 643 2HE2 GLN 82 1HE2 GLN 82 -9.739 -11.588 6.358 644 H GLU 83 H GLU 83 -4.385 -13.068 2.923 645 HA GLU 83 HA GLU 83 -5.174 -15.689 3.783 646 1HB GLU 83 1HB GLU 83 -6.241 -14.317 2.071 647 2HB GLU 83 2HB GLU 83 -4.761 -14.325 1.104 648 1HG GLU 83 1HG GLU 83 -4.948 -16.794 0.833 649 2HG GLU 83 2HG GLU 83 -6.496 -16.746 1.710 650 H GLU 84 H GLU 84 -2.606 -14.772 1.358 651 HA GLU 84 HA GLU 84 -1.783 -17.596 1.542 652 1HB GLU 84 1HB GLU 84 -0.370 -17.084 -0.378 653 2HB GLU 84 2HB GLU 84 -2.084 -16.672 -0.697 654 1HG GLU 84 1HG GLU 84 -1.636 -14.316 -0.322 655 2HG GLU 84 2HG GLU 84 -0.093 -14.751 0.458 656 H VAL 85 H VAL 85 -1.223 -16.846 3.722 657 HA VAL 85 HA VAL 85 0.408 -15.743 5.175 658 HB VAL 85 HB VAL 85 -0.225 -18.019 5.832 659 1HG1 VAL 85 1HG1 VAL 85 1.965 -19.211 3.989 660 2HG1 VAL 85 2HG1 VAL 85 0.996 -20.120 5.176 661 3HG1 VAL 85 3HG1 VAL 85 0.207 -19.397 3.786 662 1HG2 VAL 85 1HG2 VAL 85 1.720 -17.084 7.163 663 2HG2 VAL 85 2HG2 VAL 85 1.745 -18.850 7.098 664 3HG2 VAL 85 3HG2 VAL 85 2.863 -17.910 6.077 Start of MODEL 12 1 1H VAL 2 1H VAL 2 -16.395 6.320 -2.041 2 2H VAL 2 2H VAL 2 -16.847 5.003 -2.984 3 3H VAL 2 3H VAL 2 -17.868 6.332 -2.851 4 HA VAL 2 HA VAL 2 -18.196 5.918 -0.533 5 HB VAL 2 HB VAL 2 -18.616 3.412 -2.206 6 1HG1 VAL 2 1HG2 VAL 2 -20.240 4.663 0.053 7 2HG1 VAL 2 2HG2 VAL 2 -20.670 3.192 -0.852 8 3HG1 VAL 2 3HG2 VAL 2 -19.225 3.203 0.187 9 1HG2 VAL 2 1HG1 VAL 2 -19.349 5.423 -3.456 10 2HG2 VAL 2 2HG1 VAL 2 -20.735 4.440 -2.933 11 3HG2 VAL 2 3HG1 VAL 2 -20.324 5.932 -2.053 12 H GLN 3 H GLN 3 -17.122 5.253 1.319 13 HA GLN 3 HA GLN 3 -14.890 3.395 0.790 14 1HB GLN 3 1HB GLN 3 -14.316 5.672 1.556 15 2HB GLN 3 2HB GLN 3 -15.220 5.386 3.064 16 1HG GLN 3 1HG GLN 3 -13.747 3.446 3.561 17 2HG GLN 3 2HG GLN 3 -12.885 3.717 2.030 18 1HE2 GLN 3 2HE2 GLN 3 -13.773 5.514 5.045 19 2HE2 GLN 3 1HE2 GLN 3 -12.235 6.356 5.128 20 H GLN 4 H GLN 4 -14.839 1.441 1.553 21 HA GLN 4 HA GLN 4 -16.031 0.841 4.174 22 1HB GLN 4 1HB GLN 4 -17.654 -0.051 2.626 23 2HB GLN 4 2HB GLN 4 -16.372 -0.726 1.597 24 1HG GLN 4 1HG GLN 4 -17.427 -2.508 2.836 25 2HG GLN 4 2HG GLN 4 -15.755 -2.299 3.395 26 1HE2 GLN 4 2HE2 GLN 4 -18.755 -3.007 4.437 27 2HE2 GLN 4 1HE2 GLN 4 -18.710 -2.297 6.054 28 H LYS 5 H LYS 5 -14.827 -0.956 5.168 29 HA LYS 5 HA LYS 5 -12.320 -1.812 3.912 30 1HB LYS 5 1HB LYS 5 -11.062 -0.876 5.925 31 2HB LYS 5 2HB LYS 5 -11.645 0.298 4.726 32 1HG LYS 5 1HG LYS 5 -13.730 0.561 6.185 33 2HG LYS 5 2HG LYS 5 -12.828 -0.287 7.458 34 1HD LYS 5 1HD LYS 5 -11.011 1.428 7.262 35 2HD LYS 5 2HD LYS 5 -11.928 2.230 5.972 36 1HE LYS 5 1HE LYS 5 -12.284 3.420 8.059 37 2HE LYS 5 2HE LYS 5 -13.798 2.613 7.607 38 1HZ LYS 5 1HZ LYS 5 -11.816 1.622 9.541 39 2HZ LYS 5 2HZ LYS 5 -13.261 2.325 9.918 40 3HZ LYS 5 3HZ LYS 5 -13.230 0.864 9.153 41 H VAL 6 H VAL 6 -11.721 -3.768 4.649 42 HA VAL 6 HA VAL 6 -13.074 -4.707 7.139 43 HB VAL 6 HB VAL 6 -12.963 -7.006 6.189 44 1HG1 VAL 6 1HG1 VAL 6 -15.017 -5.615 6.112 45 2HG1 VAL 6 2HG1 VAL 6 -14.524 -5.004 4.513 46 3HG1 VAL 6 3HG1 VAL 6 -14.910 -6.731 4.728 47 1HG2 VAL 6 1HG2 VAL 6 -11.196 -6.610 4.492 48 2HG2 VAL 6 2HG2 VAL 6 -12.663 -7.317 3.777 49 3HG2 VAL 6 3HG2 VAL 6 -12.317 -5.581 3.572 50 H GLU 7 H GLU 7 -11.570 -4.922 8.754 51 HA GLU 7 HA GLU 7 -8.771 -4.891 7.843 52 1HB GLU 7 1HB GLU 7 -8.210 -4.517 10.225 53 2HB GLU 7 2HB GLU 7 -9.407 -3.342 9.653 54 1HG GLU 7 1HG GLU 7 -10.221 -3.970 11.748 55 2HG GLU 7 2HG GLU 7 -11.156 -5.023 10.662 56 H VAL 8 H VAL 8 -7.185 -6.276 8.355 57 HA VAL 8 HA VAL 8 -7.961 -8.940 9.363 58 HB VAL 8 HB VAL 8 -7.158 -10.062 7.379 59 1HG1 VAL 8 1HG2 VAL 8 -8.670 -7.569 6.472 60 2HG1 VAL 8 2HG2 VAL 8 -8.345 -8.986 5.438 61 3HG1 VAL 8 3HG2 VAL 8 -9.386 -9.161 6.876 62 1HG2 VAL 8 1HG1 VAL 8 -5.186 -8.636 7.039 63 2HG2 VAL 8 2HG1 VAL 8 -6.094 -8.870 5.525 64 3HG2 VAL 8 3HG1 VAL 8 -6.247 -7.333 6.424 65 H ARG 9 H ARG 9 -5.695 -10.284 9.475 66 HA ARG 9 HA ARG 9 -3.723 -8.282 10.428 67 1HB ARG 9 1HB ARG 9 -3.940 -10.177 11.938 68 2HB ARG 9 2HB ARG 9 -3.754 -11.308 10.559 69 1HG ARG 9 1HG ARG 9 -1.477 -9.922 10.257 70 2HG ARG 9 2HG ARG 9 -1.669 -9.756 12.017 71 1HD ARG 9 1HD ARG 9 -0.417 -11.850 11.260 72 2HD ARG 9 2HD ARG 9 -1.869 -12.218 12.198 73 HE ARG 9 HE ARG 9 -1.516 -12.540 9.256 74 1HH1 ARG 9 1HH2 ARG 9 -3.495 -12.953 12.143 75 2HH1 ARG 9 2HH2 ARG 9 -4.677 -13.973 11.376 76 1HH2 ARG 9 2HH1 ARG 9 -3.150 -13.893 8.176 77 2HH2 ARG 9 1HH1 ARG 9 -4.442 -14.522 9.128 78 H LEU 10 H LEU 10 -2.178 -7.664 9.198 79 HA LEU 10 HA LEU 10 -1.984 -8.370 6.448 80 1HB LEU 10 1HB LEU 10 -1.531 -6.172 7.508 81 2HB LEU 10 2HB LEU 10 -0.122 -6.869 8.335 82 HG LEU 10 HG LEU 10 0.973 -7.292 6.217 83 1HD1 LEU 10 1HD1 LEU 10 -1.545 -6.114 4.948 84 2HD1 LEU 10 2HD1 LEU 10 -0.046 -6.538 4.089 85 3HD1 LEU 10 3HD1 LEU 10 -1.029 -7.815 4.843 86 1HD2 LEU 10 1HD2 LEU 10 1.101 -5.076 7.344 87 2HD2 LEU 10 2HD2 LEU 10 1.290 -4.950 5.577 88 3HD2 LEU 10 3HD2 LEU 10 -0.260 -4.503 6.339 89 H LYS 11 H LYS 11 -1.791 -10.755 6.888 90 HA LYS 11 HA LYS 11 0.501 -11.944 8.118 91 1HB LYS 11 1HB LYS 11 -1.392 -13.371 7.729 92 2HB LYS 11 2HB LYS 11 -1.581 -12.782 6.068 93 1HG LYS 11 1HG LYS 11 0.849 -13.858 5.758 94 2HG LYS 11 2HG LYS 11 0.056 -15.011 6.902 95 1HD LYS 11 1HD LYS 11 -0.761 -15.447 4.606 96 2HD LYS 11 2HD LYS 11 -2.053 -14.714 5.599 97 1HE LYS 11 1HE LYS 11 -1.543 -12.488 4.724 98 2HE LYS 11 2HE LYS 11 -0.254 -13.180 3.669 99 1HZ LYS 11 1HZ LYS 11 -1.919 -14.466 2.612 100 2HZ LYS 11 2HZ LYS 11 -3.105 -13.662 3.440 101 3HZ LYS 11 3HZ LYS 11 -2.134 -12.846 2.406 102 H THR 12 H THR 12 -0.272 -11.092 4.771 103 HA THR 12 HA THR 12 2.109 -11.889 3.494 104 HB THR 12 HB THR 12 0.544 -9.318 2.957 105 HG1 THR 12 HG1 THR 12 -0.913 -11.010 3.031 106 1HG2 THR 12 1HG2 THR 12 1.195 -9.690 0.615 107 2HG2 THR 12 2HG2 THR 12 2.606 -9.493 1.682 108 3HG2 THR 12 3HG2 THR 12 2.139 -11.111 1.112 109 H GLY 13 H GLY 13 1.360 -9.043 5.534 110 1HA GLY 13 1HA GLY 13 2.737 -7.213 6.190 111 2HA GLY 13 2HA GLY 13 4.126 -8.037 5.431 112 H LEU 14 H LEU 14 3.870 -8.234 3.020 113 HA LEU 14 HA LEU 14 3.081 -7.405 0.910 114 1HB LEU 14 1HB LEU 14 2.206 -5.167 2.685 115 2HB LEU 14 2HB LEU 14 2.687 -4.721 1.077 116 HG LEU 14 HG LEU 14 0.961 -6.183 0.110 117 1HD1 LEU 14 1HD2 LEU 14 0.362 -6.978 2.988 118 2HD1 LEU 14 2HD2 LEU 14 -0.604 -7.434 1.563 119 3HD1 LEU 14 3HD2 LEU 14 1.061 -8.039 1.742 120 1HD2 LEU 14 1HD1 LEU 14 0.357 -3.913 0.937 121 2HD2 LEU 14 2HD1 LEU 14 -1.016 -5.042 1.068 122 3HD2 LEU 14 3HD1 LEU 14 -0.065 -4.618 2.514 123 H GLN 15 H GLN 15 5.258 -8.062 0.878 124 HA GLN 15 HA GLN 15 7.270 -6.019 1.630 125 1HB GLN 15 1HB GLN 15 7.822 -8.832 0.650 126 2HB GLN 15 2HB GLN 15 8.861 -7.770 1.631 127 1HG GLN 15 1HG GLN 15 6.320 -9.212 2.455 128 2HG GLN 15 2HG GLN 15 7.961 -9.514 3.064 129 1HE2 GLN 15 2HE2 GLN 15 5.387 -8.801 4.463 130 2HE2 GLN 15 1HE2 GLN 15 5.757 -7.310 5.348 131 H ALA 16 H ALA 16 6.175 -8.176 -1.054 132 HA ALA 16 HA ALA 16 6.784 -5.994 -2.860 133 1HB ALA 16 1HB ALA 16 9.044 -6.854 -2.548 134 2HB ALA 16 2HB ALA 16 8.513 -8.467 -3.092 135 3HB ALA 16 3HB ALA 16 8.488 -7.095 -4.223 136 H ARG 17 H ARG 17 7.234 -8.975 -4.371 137 HA ARG 17 HA ARG 17 5.561 -8.680 -6.441 138 1HB ARG 17 1HB ARG 17 6.269 -11.231 -4.975 139 2HB ARG 17 2HB ARG 17 5.676 -11.155 -6.650 140 1HG ARG 17 1HG ARG 17 7.733 -10.708 -7.402 141 2HG ARG 17 2HG ARG 17 7.878 -9.299 -6.335 142 1HD ARG 17 1HD ARG 17 8.367 -12.163 -5.385 143 2HD ARG 17 2HD ARG 17 9.638 -11.136 -6.055 144 HE ARG 17 HE ARG 17 9.591 -9.754 -4.178 145 1HH1 ARG 17 1HH2 ARG 17 7.261 -12.463 -3.844 146 2HH1 ARG 17 2HH2 ARG 17 6.866 -11.962 -2.186 147 1HH2 ARG 17 2HH1 ARG 17 9.111 -9.411 -1.861 148 2HH2 ARG 17 1HH1 ARG 17 7.809 -10.394 -1.183 149 HA PRO 18 HA PRO 18 1.885 -11.193 -4.802 150 1HB PRO 18 1HB PRO 18 1.788 -12.112 -2.248 151 2HB PRO 18 2HB PRO 18 2.913 -12.890 -3.416 152 1HG PRO 18 1HG PRO 18 3.564 -10.549 -1.565 153 2HG PRO 18 2HG PRO 18 4.438 -12.090 -1.556 154 1HD PRO 18 1HD PRO 18 5.398 -10.130 -2.994 155 2HD PRO 18 2HD PRO 18 5.282 -11.742 -3.752 156 H ALA 19 H ALA 19 3.319 -8.970 -2.474 157 HA ALA 19 HA ALA 19 0.843 -8.059 -1.321 158 1HB ALA 19 1HB ALA 19 3.047 -8.126 -0.282 159 2HB ALA 19 2HB ALA 19 3.662 -7.030 -1.552 160 3HB ALA 19 3HB ALA 19 2.428 -6.438 -0.376 161 H ALA 20 H ALA 20 2.982 -7.070 -3.964 162 HA ALA 20 HA ALA 20 1.492 -4.581 -4.577 163 1HB ALA 20 1HB ALA 20 3.557 -6.209 -6.158 164 2HB ALA 20 2HB ALA 20 2.925 -4.606 -6.610 165 3HB ALA 20 3HB ALA 20 3.912 -4.788 -5.142 166 H LEU 21 H LEU 21 1.546 -8.051 -5.436 167 HA LEU 21 HA LEU 21 -0.451 -8.014 -7.450 168 1HB LEU 21 1HB LEU 21 0.867 -9.972 -6.383 169 2HB LEU 21 2HB LEU 21 -0.367 -9.970 -5.124 170 HG LEU 21 HG LEU 21 -0.984 -10.280 -8.094 171 1HD1 LEU 21 1HD1 LEU 21 -0.749 -12.344 -5.862 172 2HD1 LEU 21 2HD1 LEU 21 -1.299 -12.674 -7.524 173 3HD1 LEU 21 3HD1 LEU 21 0.375 -12.148 -7.228 174 1HD2 LEU 21 1HD2 LEU 21 -2.639 -10.734 -5.570 175 2HD2 LEU 21 2HD2 LEU 21 -2.876 -9.421 -6.749 176 3HD2 LEU 21 3HD2 LEU 21 -3.168 -11.110 -7.226 177 H PHE 22 H PHE 22 -0.650 -8.142 -3.889 178 HA PHE 22 HA PHE 22 -3.434 -7.797 -3.521 179 1HB PHE 22 1HB PHE 22 -2.125 -8.206 -1.573 180 2HB PHE 22 2HB PHE 22 -0.982 -6.925 -2.015 181 HD1 PHE 22 HD1 PHE 22 -1.031 -4.852 -1.167 182 HD2 PHE 22 HD2 PHE 22 -4.593 -7.269 -0.957 183 HE1 PHE 22 HE1 PHE 22 -2.250 -2.962 -0.115 184 HE2 PHE 22 HE2 PHE 22 -5.730 -5.462 0.309 185 HZ PHE 22 HZ PHE 22 -4.573 -3.303 0.711 186 H VAL 23 H VAL 23 -1.003 -5.088 -3.467 187 HA VAL 23 HA VAL 23 -2.823 -3.044 -3.421 188 HB VAL 23 HB VAL 23 -1.179 -1.599 -4.157 189 1HG1 VAL 23 1HG1 VAL 23 -0.527 -2.382 -2.007 190 2HG1 VAL 23 2HG1 VAL 23 0.484 -3.657 -2.746 191 3HG1 VAL 23 3HG1 VAL 23 0.849 -1.941 -3.005 192 1HG2 VAL 23 1HG2 VAL 23 -0.880 -2.557 -6.239 193 2HG2 VAL 23 2HG2 VAL 23 0.682 -2.076 -5.544 194 3HG2 VAL 23 3HG2 VAL 23 0.176 -3.814 -5.589 195 H GLN 24 H GLN 24 -1.644 -4.781 -6.323 196 HA GLN 24 HA GLN 24 -3.012 -3.027 -8.138 197 1HB GLN 24 1HB GLN 24 -2.226 -4.444 -9.895 198 2HB GLN 24 2HB GLN 24 -0.939 -4.115 -8.724 199 1HG GLN 24 1HG GLN 24 -0.615 -6.344 -9.148 200 2HG GLN 24 2HG GLN 24 -1.629 -6.417 -7.693 201 1HE2 GLN 24 2HE2 GLN 24 -3.371 -7.684 -7.830 202 2HE2 GLN 24 1HE2 GLN 24 -4.151 -8.286 -9.289 203 H GLU 25 H GLU 25 -4.053 -5.832 -6.319 204 HA GLU 25 HA GLU 25 -6.347 -6.387 -8.038 205 1HB GLU 25 1HB GLU 25 -5.683 -6.936 -5.097 206 2HB GLU 25 2HB GLU 25 -7.187 -7.497 -5.874 207 1HG GLU 25 1HG GLU 25 -4.426 -8.226 -6.870 208 2HG GLU 25 2HG GLU 25 -5.337 -9.209 -5.705 209 H ALA 26 H ALA 26 -5.719 -4.865 -4.917 210 HA ALA 26 HA ALA 26 -8.080 -3.419 -4.404 211 1HB ALA 26 1HB ALA 26 -5.174 -2.570 -4.145 212 2HB ALA 26 2HB ALA 26 -6.539 -1.825 -3.275 213 3HB ALA 26 3HB ALA 26 -6.073 -3.515 -2.923 214 H ASN 27 H ASN 27 -5.256 -2.587 -6.331 215 HA ASN 27 HA ASN 27 -5.873 -0.114 -7.405 216 1HB ASN 27 1HB ASN 27 -4.032 -2.292 -7.684 217 2HB ASN 27 2HB ASN 27 -4.565 -1.868 -9.312 218 1HD2 ASN 27 2HD2 ASN 27 -2.786 -0.916 -6.494 219 2HD2 ASN 27 1HD2 ASN 27 -2.015 0.529 -7.157 220 H ARG 28 H ARG 28 -6.835 -3.347 -8.505 221 HA ARG 28 HA ARG 28 -7.624 -2.542 -11.229 222 1HB ARG 28 1HB ARG 28 -8.357 -4.922 -9.462 223 2HB ARG 28 2HB ARG 28 -8.875 -4.735 -11.153 224 1HG ARG 28 1HG ARG 28 -6.487 -4.686 -11.870 225 2HG ARG 28 2HG ARG 28 -6.000 -4.878 -10.173 226 1HD ARG 28 1HD ARG 28 -7.293 -7.035 -10.101 227 2HD ARG 28 2HD ARG 28 -7.584 -6.857 -11.849 228 HE ARG 28 HE ARG 28 -4.771 -6.661 -11.165 229 1HH1 ARG 28 1HH2 ARG 28 -7.395 -8.970 -11.660 230 2HH1 ARG 28 2HH2 ARG 28 -6.345 -10.276 -12.141 231 1HH2 ARG 28 2HH1 ARG 28 -3.403 -8.322 -11.718 232 2HH2 ARG 28 1HH1 ARG 28 -3.994 -9.911 -12.159 233 H PHE 29 H PHE 29 -9.042 -3.217 -8.131 234 HA PHE 29 HA PHE 29 -11.714 -2.413 -8.490 235 1HB PHE 29 1HB PHE 29 -9.650 -2.481 -6.296 236 2HB PHE 29 2HB PHE 29 -11.260 -1.904 -5.961 237 HD1 PHE 29 HD1 PHE 29 -12.772 -3.652 -7.934 238 HD2 PHE 29 HD2 PHE 29 -9.627 -4.637 -5.170 239 HE1 PHE 29 HE1 PHE 29 -13.621 -5.980 -7.815 240 HE2 PHE 29 HE2 PHE 29 -10.553 -6.939 -4.959 241 HZ PHE 29 HZ PHE 29 -12.531 -7.614 -6.330 242 H THR 30 H THR 30 -12.514 -0.568 -9.060 243 HA THR 30 HA THR 30 -10.874 1.819 -9.354 244 HB THR 30 HB THR 30 -13.779 1.108 -9.868 245 HG1 THR 30 HG1 THR 30 -11.864 0.204 -11.092 246 1HG2 THR 30 1HG2 THR 30 -12.257 3.578 -10.742 247 2HG2 THR 30 2HG2 THR 30 -13.926 3.127 -11.218 248 3HG2 THR 30 3HG2 THR 30 -13.552 3.509 -9.514 249 H SER 31 H SER 31 -10.653 1.416 -6.796 250 HA SER 31 HA SER 31 -12.471 3.253 -5.369 251 1HB SER 31 1HB SER 31 -11.201 0.675 -4.351 252 2HB SER 31 2HB SER 31 -12.505 1.612 -3.583 253 HG SER 31 HG SER 31 -12.628 0.138 -6.016 254 H ASP 32 H ASP 32 -11.518 4.519 -3.795 255 HA ASP 32 HA ASP 32 -8.612 4.839 -3.880 256 1HB ASP 32 1HB ASP 32 -10.804 5.904 -2.080 257 2HB ASP 32 2HB ASP 32 -9.104 6.417 -1.966 258 H VAL 33 H VAL 33 -7.924 2.754 -3.403 259 HA VAL 33 HA VAL 33 -8.950 1.319 -1.136 260 HB VAL 33 HB VAL 33 -6.653 0.820 -3.055 261 1HG1 VAL 33 1HG1 VAL 33 -6.375 -0.326 -0.895 262 2HG1 VAL 33 2HG1 VAL 33 -8.014 -1.005 -1.026 263 3HG1 VAL 33 3HG1 VAL 33 -6.747 -1.492 -2.191 264 1HG2 VAL 33 1HG2 VAL 33 -8.948 1.024 -3.981 265 2HG2 VAL 33 2HG2 VAL 33 -8.399 -0.670 -4.071 266 3HG2 VAL 33 3HG2 VAL 33 -9.539 -0.154 -2.794 267 H PHE 34 H PHE 34 -8.142 0.944 0.777 268 HA PHE 34 HA PHE 34 -5.638 2.303 1.504 269 1HB PHE 34 1HB PHE 34 -8.263 2.689 2.989 270 2HB PHE 34 2HB PHE 34 -6.673 3.254 3.525 271 HD1 PHE 34 HD1 PHE 34 -5.346 4.501 1.484 272 HD2 PHE 34 HD2 PHE 34 -9.606 4.430 2.104 273 HE1 PHE 34 HE1 PHE 34 -5.585 6.581 0.113 274 HE2 PHE 34 HE2 PHE 34 -9.845 6.448 0.681 275 HZ PHE 34 HZ PHE 34 -7.841 7.534 -0.297 276 H LEU 35 H LEU 35 -4.849 1.672 3.645 277 HA LEU 35 HA LEU 35 -5.941 -0.884 4.641 278 1HB LEU 35 1HB LEU 35 -4.062 -1.299 2.967 279 2HB LEU 35 2HB LEU 35 -2.968 -0.480 4.107 280 HG LEU 35 HG LEU 35 -3.536 -2.120 5.848 281 1HD1 LEU 35 1HD1 LEU 35 -5.402 -3.298 3.741 282 2HD1 LEU 35 2HD1 LEU 35 -5.077 -3.998 5.342 283 3HD1 LEU 35 3HD1 LEU 35 -5.917 -2.435 5.207 284 1HD2 LEU 35 1HD2 LEU 35 -1.775 -2.749 4.202 285 2HD2 LEU 35 2HD2 LEU 35 -2.670 -4.180 4.770 286 3HD2 LEU 35 3HD2 LEU 35 -3.020 -3.488 3.168 287 H GLU 36 H GLU 36 -6.213 -0.610 6.771 288 HA GLU 36 HA GLU 36 -4.799 1.725 8.017 289 1HB GLU 36 1HB GLU 36 -7.334 0.379 8.975 290 2HB GLU 36 2HB GLU 36 -6.717 1.989 9.411 291 1HG GLU 36 1HG GLU 36 -7.155 2.791 7.147 292 2HG GLU 36 2HG GLU 36 -7.725 1.209 6.643 293 H LYS 37 H LYS 37 -2.979 0.711 9.005 294 HA LYS 37 HA LYS 37 -2.945 -1.896 10.204 295 1HB LYS 37 1HB LYS 37 -1.232 0.594 10.513 296 2HB LYS 37 2HB LYS 37 -0.885 -0.946 11.315 297 1HG LYS 37 1HG LYS 37 -0.787 -2.080 9.112 298 2HG LYS 37 2HG LYS 37 -1.030 -0.509 8.305 299 1HD LYS 37 1HD LYS 37 1.423 -1.238 8.575 300 2HD LYS 37 2HD LYS 37 1.018 0.360 9.256 301 1HE LYS 37 1HE LYS 37 0.632 -0.738 11.483 302 2HE LYS 37 2HE LYS 37 1.252 -2.260 10.815 303 1HZ LYS 37 1HZ LYS 37 2.719 0.291 10.974 304 2HZ LYS 37 2HZ LYS 37 2.928 -1.007 11.970 305 3HZ LYS 37 3HZ LYS 37 3.315 -1.124 10.372 306 H ASP 38 H ASP 38 -4.904 -1.917 11.528 307 HA ASP 38 HA ASP 38 -6.112 -1.594 13.429 308 1HB ASP 38 1HB ASP 38 -3.321 -1.117 14.515 309 2HB ASP 38 2HB ASP 38 -4.782 -1.231 15.521 310 H GLY 39 H GLY 39 -5.692 0.635 11.584 311 1HA GLY 39 1HA GLY 39 -6.901 2.803 12.147 312 2HA GLY 39 2HA GLY 39 -5.770 2.891 13.520 313 H LYS 40 H LYS 40 -3.498 1.780 11.785 314 HA LYS 40 HA LYS 40 -2.576 4.353 10.834 315 1HB LYS 40 1HB LYS 40 -1.309 1.634 10.435 316 2HB LYS 40 2HB LYS 40 -0.494 3.209 10.489 317 1HG LYS 40 1HG LYS 40 -1.844 1.721 12.793 318 2HG LYS 40 2HG LYS 40 -0.111 2.009 12.591 319 1HD LYS 40 1HD LYS 40 -2.258 4.128 13.043 320 2HD LYS 40 2HD LYS 40 -1.038 3.604 14.217 321 1HE LYS 40 1HE LYS 40 -0.537 5.023 11.562 322 2HE LYS 40 2HE LYS 40 -0.345 5.714 13.185 323 1HZ LYS 40 1HZ LYS 40 1.388 4.113 13.585 324 2HZ LYS 40 2HZ LYS 40 1.208 3.483 12.071 325 3HZ LYS 40 3HZ LYS 40 1.741 5.030 12.262 326 H LYS 41 H LYS 41 -4.468 4.468 9.319 327 HA LYS 41 HA LYS 41 -4.433 2.738 6.975 328 1HB LYS 41 1HB LYS 41 -6.507 3.348 7.807 329 2HB LYS 41 2HB LYS 41 -6.075 5.045 7.964 330 1HG LYS 41 1HG LYS 41 -6.091 3.767 5.226 331 2HG LYS 41 2HG LYS 41 -7.622 4.283 5.957 332 1HD LYS 41 1HD LYS 41 -6.737 6.559 6.322 333 2HD LYS 41 2HD LYS 41 -5.175 6.079 5.638 334 1HE LYS 41 1HE LYS 41 -6.436 5.414 3.528 335 2HE LYS 41 2HE LYS 41 -7.870 6.181 4.210 336 1HZ LYS 41 1HZ LYS 41 -5.309 7.531 3.698 337 2HZ LYS 41 2HZ LYS 41 -6.674 7.660 2.784 338 3HZ LYS 41 3HZ LYS 41 -6.661 8.237 4.327 339 H VAL 42 H VAL 42 -3.822 3.060 5.059 340 HA VAL 42 HA VAL 42 -3.069 5.687 3.940 341 HB VAL 42 HB VAL 42 -0.935 4.570 3.047 342 1HG1 VAL 42 1HG1 VAL 42 -0.892 6.225 4.873 343 2HG1 VAL 42 2HG1 VAL 42 -1.150 4.918 6.057 344 3HG1 VAL 42 3HG1 VAL 42 0.354 4.970 5.096 345 1HG2 VAL 42 1HG2 VAL 42 -1.699 2.243 3.548 346 2HG2 VAL 42 2HG2 VAL 42 -0.113 2.597 4.291 347 3HG2 VAL 42 3HG2 VAL 42 -1.594 2.606 5.284 348 H ASN 43 H ASN 43 -2.241 5.227 1.568 349 HA ASN 43 HA ASN 43 -4.466 3.889 0.263 350 1HB ASN 43 1HB ASN 43 -3.062 4.305 -1.834 351 2HB ASN 43 2HB ASN 43 -3.725 5.700 -0.973 352 1HD2 ASN 43 2HD2 ASN 43 -0.705 3.734 -0.475 353 2HD2 ASN 43 1HD2 ASN 43 0.319 5.151 -0.472 354 H ALA 44 H ALA 44 -4.702 1.984 0.502 355 HA ALA 44 HA ALA 44 -3.017 -0.114 1.187 356 1HB ALA 44 1HB ALA 44 -5.467 -0.056 -0.608 357 2HB ALA 44 2HB ALA 44 -4.822 -1.542 0.113 358 3HB ALA 44 3HB ALA 44 -5.490 -0.254 1.151 359 H LYS 45 H LYS 45 -3.491 1.332 -1.974 360 HA LYS 45 HA LYS 45 -2.291 -1.013 -3.339 361 1HB LYS 45 1HB LYS 45 -3.079 0.224 -5.399 362 2HB LYS 45 2HB LYS 45 -4.359 -0.352 -4.312 363 1HG LYS 45 1HG LYS 45 -4.620 1.902 -3.372 364 2HG LYS 45 2HG LYS 45 -3.267 2.495 -4.366 365 1HD LYS 45 1HD LYS 45 -5.488 3.038 -5.360 366 2HD LYS 45 2HD LYS 45 -4.515 1.989 -6.416 367 1HE LYS 45 1HE LYS 45 -5.740 0.018 -5.686 368 2HE LYS 45 2HE LYS 45 -6.639 0.958 -4.480 369 1HZ LYS 45 1HZ LYS 45 -6.816 1.419 -7.381 370 2HZ LYS 45 2HZ LYS 45 -7.876 0.521 -6.502 371 3HZ LYS 45 3HZ LYS 45 -7.726 2.128 -6.194 372 H SER 46 H SER 46 -1.504 2.150 -2.188 373 HA SER 46 HA SER 46 0.665 2.306 -4.203 374 1HB SER 46 1HB SER 46 -0.268 4.536 -2.395 375 2HB SER 46 2HB SER 46 0.702 4.672 -3.880 376 HG SER 46 HG SER 46 -1.476 5.181 -4.325 377 H ILE 47 H ILE 47 2.624 3.447 -3.396 378 HA ILE 47 HA ILE 47 4.280 2.294 -1.664 379 HB ILE 47 HB ILE 47 5.080 4.097 -2.931 380 1HG1 ILE 47 1HG1 ILE 47 5.881 3.871 -0.411 381 2HG1 ILE 47 2HG1 ILE 47 6.471 5.201 -1.418 382 1HG2 ILE 47 1HG2 ILE 47 2.925 5.377 -3.055 383 2HG2 ILE 47 2HG2 ILE 47 3.258 6.007 -1.425 384 3HG2 ILE 47 3HG2 ILE 47 4.349 6.410 -2.765 385 1HD1 ILE 47 1HD1 ILE 47 4.660 6.677 -0.503 386 2HD1 ILE 47 2HD1 ILE 47 4.132 5.353 0.539 387 3HD1 ILE 47 3HD1 ILE 47 5.726 6.077 0.794 388 H MET 48 H MET 48 2.248 5.038 -0.521 389 HA MET 48 HA MET 48 3.240 4.705 2.064 390 1HB MET 48 1HB MET 48 2.073 6.732 1.249 391 2HB MET 48 2HB MET 48 0.541 5.847 1.218 392 1HG MET 48 1HG MET 48 0.590 7.161 3.238 393 2HG MET 48 2HG MET 48 0.798 5.459 3.694 394 1HE MET 48 1HE MET 48 3.682 7.370 2.029 395 2HE MET 48 2HE MET 48 2.819 8.733 2.793 396 3HE MET 48 3HE MET 48 4.437 8.261 3.375 397 H GLY 49 H GLY 49 0.846 2.752 0.510 398 1HA GLY 49 1HA GLY 49 0.207 1.450 3.065 399 2HA GLY 49 2HA GLY 49 -0.420 0.983 1.445 400 H LEU 50 H LEU 50 1.352 0.245 -0.148 401 HA LEU 50 HA LEU 50 2.525 -2.147 0.540 402 1HB LEU 50 1HB LEU 50 2.940 -0.103 -1.531 403 2HB LEU 50 2HB LEU 50 4.417 -0.994 -1.104 404 HG LEU 50 HG LEU 50 1.791 -2.372 -1.825 405 1HD1 LEU 50 1HD1 LEU 50 2.714 -1.050 -3.715 406 2HD1 LEU 50 2HD1 LEU 50 4.269 -1.893 -3.535 407 3HD1 LEU 50 3HD1 LEU 50 2.817 -2.802 -4.016 408 1HD2 LEU 50 1HD2 LEU 50 3.410 -3.691 -0.421 409 2HD2 LEU 50 2HD2 LEU 50 3.217 -4.374 -2.053 410 3HD2 LEU 50 3HD2 LEU 50 4.660 -3.419 -1.654 411 H MET 51 H MET 51 4.203 1.003 0.509 412 HA MET 51 HA MET 51 6.690 -0.272 1.181 413 1HB MET 51 1HB MET 51 7.466 1.550 0.023 414 2HB MET 51 2HB MET 51 5.794 2.106 -0.088 415 1HG MET 51 1HG MET 51 6.993 3.913 0.789 416 2HG MET 51 2HG MET 51 6.091 3.228 2.148 417 1HE MET 51 1HE MET 51 7.151 4.197 3.979 418 2HE MET 51 2HE MET 51 8.899 4.313 4.321 419 3HE MET 51 3HE MET 51 8.184 5.260 2.989 420 H SER 52 H SER 52 4.444 2.150 2.524 421 HA SER 52 HA SER 52 5.852 2.207 5.052 422 1HB SER 52 1HB SER 52 3.291 3.599 4.240 423 2HB SER 52 2HB SER 52 4.340 4.008 5.618 424 HG SER 52 HG SER 52 4.820 5.281 3.751 425 H LEU 53 H LEU 53 2.274 1.872 4.755 426 HA LEU 53 HA LEU 53 2.321 0.624 7.409 427 1HB LEU 53 1HB LEU 53 0.061 1.375 5.579 428 2HB LEU 53 2HB LEU 53 -0.125 0.540 7.138 429 HG LEU 53 HG LEU 53 -0.378 2.846 7.569 430 1HD1 LEU 53 1HD1 LEU 53 2.428 2.012 8.374 431 2HD1 LEU 53 2HD1 LEU 53 1.510 3.359 9.087 432 3HD1 LEU 53 3HD1 LEU 53 0.919 1.693 9.267 433 1HD2 LEU 53 1HD2 LEU 53 0.758 3.566 5.436 434 2HD2 LEU 53 2HD2 LEU 53 1.190 4.567 6.859 435 3HD2 LEU 53 3HD2 LEU 53 2.318 3.331 6.247 436 H ALA 54 H ALA 54 1.064 -0.252 4.256 437 HA ALA 54 HA ALA 54 0.334 -3.006 4.910 438 1HB ALA 54 1HB ALA 54 -1.070 -1.632 3.397 439 2HB ALA 54 2HB ALA 54 0.328 -1.446 2.301 440 3HB ALA 54 3HB ALA 54 -0.386 -3.049 2.560 441 H VAL 55 H VAL 55 2.372 -3.313 5.589 442 HA VAL 55 HA VAL 55 3.969 -5.032 4.021 443 HB VAL 55 HB VAL 55 4.956 -2.888 3.205 444 1HG1 VAL 55 1HG2 VAL 55 4.403 -1.536 5.208 445 2HG1 VAL 55 2HG2 VAL 55 5.654 -2.403 6.130 446 3HG1 VAL 55 3HG2 VAL 55 6.113 -1.374 4.748 447 1HG2 VAL 55 1HG1 VAL 55 6.777 -4.431 5.098 448 2HG2 VAL 55 2HG1 VAL 55 6.440 -4.812 3.391 449 3HG2 VAL 55 3HG1 VAL 55 7.323 -3.325 3.811 450 H SER 56 H SER 56 3.285 -3.271 6.942 451 HA SER 56 HA SER 56 4.975 -4.736 8.676 452 1HB SER 56 1HB SER 56 2.334 -3.418 9.394 453 2HB SER 56 2HB SER 56 3.783 -3.586 10.399 454 HG SER 56 HG SER 56 3.392 -1.902 8.125 455 H THR 57 H THR 57 4.603 -6.911 7.862 456 HA THR 57 HA THR 57 2.419 -8.502 8.006 457 HB THR 57 HB THR 57 5.147 -9.162 9.157 458 HG1 THR 57 HG1 THR 57 4.271 -9.646 6.524 459 1HG2 THR 57 1HG2 THR 57 4.620 -11.465 8.418 460 2HG2 THR 57 2HG2 THR 57 3.417 -10.891 9.594 461 3HG2 THR 57 3HG2 THR 57 3.021 -10.929 7.858 462 H GLY 58 H GLY 58 0.906 -8.862 9.427 463 1HA GLY 58 1HA GLY 58 0.213 -9.866 11.514 464 2HA GLY 58 2HA GLY 58 1.612 -9.127 12.301 465 H THR 59 H THR 59 0.389 -6.631 10.398 466 HA THR 59 HA THR 59 -0.883 -5.580 12.824 467 HB THR 59 HB THR 59 -0.789 -4.214 10.103 468 HG1 THR 59 HG1 THR 59 1.336 -4.867 10.725 469 1HG2 THR 59 1HG2 THR 59 -0.700 -3.152 12.960 470 2HG2 THR 59 2HG2 THR 59 -0.816 -2.179 11.477 471 3HG2 THR 59 3HG2 THR 59 -2.171 -3.229 11.965 472 H GLU 60 H GLU 60 -3.161 -5.256 13.118 473 HA GLU 60 HA GLU 60 -4.801 -6.711 11.142 474 1HB GLU 60 1HB GLU 60 -5.796 -5.180 13.561 475 2HB GLU 60 2HB GLU 60 -6.586 -6.512 12.661 476 1HG GLU 60 1HG GLU 60 -3.996 -6.840 14.237 477 2HG GLU 60 2HG GLU 60 -5.605 -7.215 14.874 478 H VAL 61 H VAL 61 -4.448 -5.443 9.374 479 HA VAL 61 HA VAL 61 -5.107 -2.555 9.519 480 HB VAL 61 HB VAL 61 -4.187 -2.455 7.219 481 1HG1 VAL 61 1HG1 VAL 61 -2.410 -3.804 9.298 482 2HG1 VAL 61 2HG1 VAL 61 -1.816 -3.045 7.797 483 3HG1 VAL 61 3HG1 VAL 61 -2.625 -2.052 9.027 484 1HG2 VAL 61 1HG2 VAL 61 -4.722 -4.772 6.587 485 2HG2 VAL 61 2HG2 VAL 61 -2.984 -4.396 6.349 486 3HG2 VAL 61 3HG2 VAL 61 -3.506 -5.360 7.765 487 H THR 62 H THR 62 -6.949 -1.752 8.853 488 HA THR 62 HA THR 62 -8.985 -3.460 7.713 489 HB THR 62 HB THR 62 -9.167 -0.463 7.650 490 HG1 THR 62 HG1 THR 62 -9.383 -0.324 9.779 491 1HG2 THR 62 1HG2 THR 62 -11.477 -1.005 8.473 492 2HG2 THR 62 2HG2 THR 62 -11.117 -1.835 6.951 493 3HG2 THR 62 3HG2 THR 62 -11.039 -2.728 8.485 494 H LEU 63 H LEU 63 -8.920 -4.093 5.570 495 HA LEU 63 HA LEU 63 -7.564 -2.371 3.652 496 1HB LEU 63 1HB LEU 63 -7.541 -4.942 3.742 497 2HB LEU 63 2HB LEU 63 -9.203 -4.877 3.104 498 HG LEU 63 HG LEU 63 -7.386 -5.162 1.409 499 1HD1 LEU 63 1HD2 LEU 63 -9.571 -4.202 0.764 500 2HD1 LEU 63 2HD2 LEU 63 -8.956 -2.566 1.118 501 3HD1 LEU 63 3HD2 LEU 63 -8.243 -3.516 -0.206 502 1HD2 LEU 63 1HD1 LEU 63 -5.693 -3.726 2.468 503 2HD2 LEU 63 2HD1 LEU 63 -6.043 -3.144 0.820 504 3HD2 LEU 63 3HD1 LEU 63 -6.729 -2.297 2.224 505 H ILE 64 H ILE 64 -8.570 -0.642 3.161 506 HA ILE 64 HA ILE 64 -11.503 -0.439 2.879 507 HB ILE 64 HB ILE 64 -9.261 1.600 2.501 508 1HG1 ILE 64 1HG1 ILE 64 -11.011 1.106 4.932 509 2HG1 ILE 64 2HG1 ILE 64 -9.248 0.855 4.829 510 1HG2 ILE 64 1HG2 ILE 64 -12.265 1.892 2.867 511 2HG2 ILE 64 2HG2 ILE 64 -11.109 3.244 2.755 512 3HG2 ILE 64 3HG2 ILE 64 -11.360 2.160 1.360 513 1HD1 ILE 64 1HD1 ILE 64 -9.008 3.296 4.271 514 2HD1 ILE 64 2HD1 ILE 64 -10.766 3.471 4.500 515 3HD1 ILE 64 3HD1 ILE 64 -9.726 3.010 5.882 516 H ALA 65 H ALA 65 -12.428 0.110 0.922 517 HA ALA 65 HA ALA 65 -10.654 0.697 -1.346 518 1HB ALA 65 1HB ALA 65 -12.794 -1.485 -1.493 519 2HB ALA 65 2HB ALA 65 -11.879 -0.849 -2.875 520 3HB ALA 65 3HB ALA 65 -11.034 -1.762 -1.600 521 H GLN 66 H GLN 66 -11.436 2.823 -0.967 522 HA GLN 66 HA GLN 66 -14.383 2.967 -0.966 523 1HB GLN 66 1HB GLN 66 -14.123 5.235 -0.210 524 2HB GLN 66 2HB GLN 66 -12.973 4.220 0.693 525 1HG GLN 66 1HG GLN 66 -11.107 5.108 -0.395 526 2HG GLN 66 2HG GLN 66 -12.067 5.520 -1.830 527 1HE2 GLN 66 2HE2 GLN 66 -11.526 6.553 1.589 528 2HE2 GLN 66 1HE2 GLN 66 -11.949 8.222 1.248 529 H GLY 67 H GLY 67 -14.448 2.021 -3.022 530 1HA GLY 67 1HA GLY 67 -14.411 4.111 -5.169 531 2HA GLY 67 2HA GLY 67 -13.537 2.607 -5.372 532 H GLU 68 H GLU 68 -14.888 2.704 -7.231 533 HA GLU 68 HA GLU 68 -17.591 2.082 -7.401 534 1HB GLU 68 1HB GLU 68 -15.261 1.104 -9.112 535 2HB GLU 68 2HB GLU 68 -16.959 1.219 -9.617 536 1HG GLU 68 1HG GLU 68 -15.089 3.510 -8.898 537 2HG GLU 68 2HG GLU 68 -15.814 3.167 -10.482 538 H ASP 69 H ASP 69 -14.846 -0.108 -6.516 539 HA ASP 69 HA ASP 69 -16.843 -2.364 -6.577 540 1HB ASP 69 1HB ASP 69 -13.854 -2.578 -6.466 541 2HB ASP 69 2HB ASP 69 -15.037 -3.851 -6.765 542 H GLU 70 H GLU 70 -16.254 -0.073 -4.542 543 HA GLU 70 HA GLU 70 -14.703 -0.255 -2.623 544 1HB GLU 70 1HB GLU 70 -16.741 1.157 -2.787 545 2HB GLU 70 2HB GLU 70 -17.713 -0.235 -2.276 546 1HG GLU 70 1HG GLU 70 -15.910 -0.109 -0.222 547 2HG GLU 70 2HG GLU 70 -16.088 1.612 -0.647 548 H GLN 71 H GLN 71 -17.654 -1.823 -1.496 549 HA GLN 71 HA GLN 71 -16.578 -3.297 0.493 550 1HB GLN 71 1HB GLN 71 -18.966 -2.905 0.010 551 2HB GLN 71 2HB GLN 71 -18.902 -4.102 -1.299 552 1HG GLN 71 1HG GLN 71 -19.886 -5.008 0.785 553 2HG GLN 71 2HG GLN 71 -18.402 -5.875 0.330 554 1HE2 GLN 71 2HE2 GLN 71 -16.421 -5.350 1.430 555 2HE2 GLN 71 1HE2 GLN 71 -16.503 -4.814 3.117 556 H GLU 72 H GLU 72 -16.602 -4.249 -2.916 557 HA GLU 72 HA GLU 72 -15.991 -7.056 -2.525 558 1HB GLU 72 1HB GLU 72 -17.133 -6.465 -4.549 559 2HB GLU 72 2HB GLU 72 -16.200 -4.954 -4.675 560 1HG GLU 72 1HG GLU 72 -15.525 -6.304 -6.468 561 2HG GLU 72 2HG GLU 72 -14.188 -6.246 -5.317 562 H ALA 73 H ALA 73 -14.303 -4.089 -3.526 563 HA ALA 73 HA ALA 73 -11.747 -5.145 -4.055 564 1HB ALA 73 1HB ALA 73 -12.797 -2.434 -3.128 565 2HB ALA 73 2HB ALA 73 -11.176 -2.698 -3.820 566 3HB ALA 73 3HB ALA 73 -12.633 -2.972 -4.811 567 H LEU 74 H LEU 74 -12.975 -3.319 -1.267 568 HA LEU 74 HA LEU 74 -10.665 -3.604 0.326 569 1HB LEU 74 1HB LEU 74 -12.109 -2.720 2.104 570 2HB LEU 74 2HB LEU 74 -12.328 -1.900 0.538 571 HG LEU 74 HG LEU 74 -14.249 -3.792 0.328 572 1HD1 LEU 74 1HD2 LEU 74 -14.034 -2.909 3.239 573 2HD1 LEU 74 2HD2 LEU 74 -15.422 -3.766 2.517 574 3HD1 LEU 74 3HD2 LEU 74 -13.833 -4.576 2.624 575 1HD2 LEU 74 1HD1 LEU 74 -14.392 -1.007 1.567 576 2HD2 LEU 74 2HD1 LEU 74 -14.398 -1.410 -0.159 577 3HD2 LEU 74 3HD1 LEU 74 -15.766 -1.897 0.857 578 H GLU 75 H GLU 75 -13.686 -5.622 0.329 579 HA GLU 75 HA GLU 75 -12.825 -7.339 2.401 580 1HB GLU 75 1HB GLU 75 -14.768 -7.601 0.110 581 2HB GLU 75 2HB GLU 75 -14.337 -9.023 1.093 582 1HG GLU 75 1HG GLU 75 -14.965 -7.857 3.149 583 2HG GLU 75 2HG GLU 75 -15.364 -6.395 2.220 584 H LYS 76 H LYS 76 -12.351 -7.846 -1.225 585 HA LYS 76 HA LYS 76 -11.107 -10.369 -0.515 586 1HB LYS 76 1HB LYS 76 -10.374 -10.413 -2.879 587 2HB LYS 76 2HB LYS 76 -12.133 -10.399 -2.620 588 1HG LYS 76 1HG LYS 76 -12.236 -8.059 -3.261 589 2HG LYS 76 2HG LYS 76 -10.453 -7.972 -3.400 590 1HD LYS 76 1HD LYS 76 -11.735 -10.269 -4.801 591 2HD LYS 76 2HD LYS 76 -12.164 -8.698 -5.463 592 1HE LYS 76 1HE LYS 76 -10.193 -9.650 -6.602 593 2HE LYS 76 2HE LYS 76 -9.792 -8.129 -5.807 594 1HZ LYS 76 1HZ LYS 76 -9.262 -10.807 -4.713 595 2HZ LYS 76 2HZ LYS 76 -8.155 -9.839 -5.458 596 3HZ LYS 76 3HZ LYS 76 -8.821 -9.377 -4.017 597 H LEU 77 H LEU 77 -9.895 -7.113 -1.186 598 HA LEU 77 HA LEU 77 -7.147 -7.944 -1.313 599 1HB LEU 77 1HB LEU 77 -8.529 -5.335 -0.715 600 2HB LEU 77 2HB LEU 77 -6.764 -5.520 -0.563 601 HG LEU 77 HG LEU 77 -7.132 -4.769 -2.831 602 1HD1 LEU 77 1HD2 LEU 77 -6.861 -7.800 -2.773 603 2HD1 LEU 77 2HD2 LEU 77 -6.474 -6.748 -4.152 604 3HD1 LEU 77 3HD2 LEU 77 -5.501 -6.633 -2.651 605 1HD2 LEU 77 1HD1 LEU 77 -9.523 -5.473 -3.037 606 2HD2 LEU 77 2HD1 LEU 77 -8.514 -6.014 -4.413 607 3HD2 LEU 77 3HD1 LEU 77 -8.963 -7.165 -3.127 608 H ALA 78 H ALA 78 -9.153 -6.789 1.502 609 HA ALA 78 HA ALA 78 -7.118 -7.150 3.447 610 1HB ALA 78 1HB ALA 78 -10.119 -7.623 3.672 611 2HB ALA 78 2HB ALA 78 -9.000 -7.397 5.029 612 3HB ALA 78 3HB ALA 78 -9.311 -6.050 3.919 613 H ALA 79 H ALA 79 -9.454 -9.420 1.949 614 HA ALA 79 HA ALA 79 -8.957 -11.686 3.559 615 1HB ALA 79 1HB ALA 79 -10.712 -11.429 1.756 616 2HB ALA 79 2HB ALA 79 -9.402 -11.562 0.547 617 3HB ALA 79 3HB ALA 79 -9.764 -12.935 1.623 618 H TYR 80 H TYR 80 -7.514 -10.732 0.457 619 HA TYR 80 HA TYR 80 -5.591 -12.734 0.189 620 1HB TYR 80 1HB TYR 80 -6.530 -11.121 -1.471 621 2HB TYR 80 2HB TYR 80 -5.583 -9.838 -0.718 622 HD1 TYR 80 HD1 TYR 80 -3.671 -9.201 -1.718 623 HD2 TYR 80 HD2 TYR 80 -4.781 -13.358 -1.853 624 HE1 TYR 80 HE1 TYR 80 -1.444 -9.777 -2.679 625 HE2 TYR 80 HE2 TYR 80 -2.577 -13.920 -2.833 626 HH TYR 80 HH TYR 80 -0.197 -11.344 -3.571 627 H VAL 81 H VAL 81 -5.305 -9.575 1.873 628 HA VAL 81 HA VAL 81 -2.459 -9.878 2.161 629 HB VAL 81 HB VAL 81 -2.605 -8.003 3.719 630 1HG1 VAL 81 1HG2 VAL 81 -2.886 -7.608 1.273 631 2HG1 VAL 81 2HG2 VAL 81 -4.637 -7.824 1.461 632 3HG1 VAL 81 3HG2 VAL 81 -3.834 -6.437 2.233 633 1HG2 VAL 81 1HG1 VAL 81 -4.566 -8.848 4.982 634 2HG2 VAL 81 2HG1 VAL 81 -4.837 -7.171 4.443 635 3HG2 VAL 81 3HG1 VAL 81 -5.601 -8.533 3.583 636 H GLN 82 H GLN 82 -5.167 -11.200 4.000 637 HA GLN 82 HA GLN 82 -3.297 -11.851 6.216 638 1HB GLN 82 1HB GLN 82 -5.424 -12.072 7.504 639 2HB GLN 82 2HB GLN 82 -5.256 -10.472 6.744 640 1HG GLN 82 1HG GLN 82 -7.024 -10.916 5.287 641 2HG GLN 82 2HG GLN 82 -6.579 -12.601 5.136 642 1HE2 GLN 82 2HE2 GLN 82 -9.035 -10.878 5.981 643 2HE2 GLN 82 1HE2 GLN 82 -9.686 -11.723 7.377 644 H GLU 83 H GLU 83 -5.740 -13.430 4.128 645 HA GLU 83 HA GLU 83 -6.011 -15.657 5.899 646 1HB GLU 83 1HB GLU 83 -7.804 -16.268 4.428 647 2HB GLU 83 2HB GLU 83 -7.771 -14.484 4.577 648 1HG GLU 83 1HG GLU 83 -6.506 -14.361 2.438 649 2HG GLU 83 2HG GLU 83 -6.698 -16.116 2.249 650 H GLU 84 H GLU 84 -3.695 -15.228 3.480 651 HA GLU 84 HA GLU 84 -3.472 -18.194 3.217 652 1HB GLU 84 1HB GLU 84 -2.220 -17.727 1.079 653 2HB GLU 84 2HB GLU 84 -3.967 -17.483 1.035 654 1HG GLU 84 1HG GLU 84 -2.186 -15.078 1.524 655 2HG GLU 84 2HG GLU 84 -2.395 -15.752 -0.103 656 H VAL 85 H VAL 85 -0.826 -16.671 1.910 657 HA VAL 85 HA VAL 85 0.717 -15.690 4.104 658 HB VAL 85 HB VAL 85 2.449 -17.656 3.910 659 1HG1 VAL 85 1HG1 VAL 85 -0.055 -18.253 5.639 660 2HG1 VAL 85 2HG1 VAL 85 1.542 -19.021 5.821 661 3HG1 VAL 85 3HG1 VAL 85 1.366 -17.305 6.141 662 1HG2 VAL 85 1HG2 VAL 85 1.270 -19.024 2.131 663 2HG2 VAL 85 2HG2 VAL 85 1.592 -19.966 3.591 664 3HG2 VAL 85 3HG2 VAL 85 -0.055 -19.366 3.269 Start of MODEL 13 1 1H VAL 2 1H VAL 2 -19.254 3.967 1.092 2 2H VAL 2 2H VAL 2 -18.742 5.539 0.785 3 3H VAL 2 3H VAL 2 -20.228 5.011 0.203 4 HA VAL 2 HA VAL 2 -19.174 3.436 -1.225 5 HB VAL 2 HB VAL 2 -19.619 5.719 -2.070 6 1HG1 VAL 2 1HG1 VAL 2 -16.743 6.279 -1.233 7 2HG1 VAL 2 2HG1 VAL 2 -17.781 7.360 -2.192 8 3HG1 VAL 2 3HG1 VAL 2 -18.198 6.997 -0.501 9 1HG2 VAL 2 1HG2 VAL 2 -18.615 4.005 -3.534 10 2HG2 VAL 2 2HG2 VAL 2 -18.013 5.625 -3.948 11 3HG2 VAL 2 3HG2 VAL 2 -16.990 4.505 -3.019 12 H GLN 3 H GLN 3 -17.052 5.216 1.000 13 HA GLN 3 HA GLN 3 -14.818 3.437 0.310 14 1HB GLN 3 1HB GLN 3 -14.531 5.891 1.088 15 2HB GLN 3 2HB GLN 3 -14.963 5.292 2.713 16 1HG GLN 3 1HG GLN 3 -13.123 3.618 2.542 17 2HG GLN 3 2HG GLN 3 -12.708 4.238 0.935 18 1HE2 GLN 3 2HE2 GLN 3 -12.768 7.020 1.244 19 2HE2 GLN 3 1HE2 GLN 3 -11.563 7.443 2.442 20 H GLN 4 H GLN 4 -14.640 1.509 1.175 21 HA GLN 4 HA GLN 4 -15.963 0.889 3.776 22 1HB GLN 4 1HB GLN 4 -16.066 -0.639 1.149 23 2HB GLN 4 2HB GLN 4 -16.427 -1.410 2.709 24 1HG GLN 4 1HG GLN 4 -17.885 1.078 1.742 25 2HG GLN 4 2HG GLN 4 -18.426 -0.566 1.355 26 1HE2 GLN 4 2HE2 GLN 4 -18.027 -2.043 3.620 27 2HE2 GLN 4 1HE2 GLN 4 -18.945 -1.351 4.944 28 H LYS 5 H LYS 5 -14.784 -0.948 4.918 29 HA LYS 5 HA LYS 5 -12.365 -1.898 3.645 30 1HB LYS 5 1HB LYS 5 -10.950 -1.174 5.549 31 2HB LYS 5 2HB LYS 5 -11.490 0.162 4.517 32 1HG LYS 5 1HG LYS 5 -13.050 -0.545 7.005 33 2HG LYS 5 2HG LYS 5 -11.563 0.430 7.126 34 1HD LYS 5 1HD LYS 5 -12.453 2.072 5.531 35 2HD LYS 5 2HD LYS 5 -13.935 1.109 5.354 36 1HE LYS 5 1HE LYS 5 -14.328 2.941 6.931 37 2HE LYS 5 2HE LYS 5 -14.395 1.386 7.784 38 1HZ LYS 5 1HZ LYS 5 -12.127 1.775 8.492 39 2HZ LYS 5 2HZ LYS 5 -12.093 3.219 7.711 40 3HZ LYS 5 3HZ LYS 5 -13.117 2.998 8.985 41 H VAL 6 H VAL 6 -11.677 -3.788 4.543 42 HA VAL 6 HA VAL 6 -13.178 -4.773 6.924 43 HB VAL 6 HB VAL 6 -12.989 -7.079 5.833 44 1HG1 VAL 6 1HG1 VAL 6 -15.102 -5.805 6.038 45 2HG1 VAL 6 2HG1 VAL 6 -14.736 -4.954 4.519 46 3HG1 VAL 6 3HG1 VAL 6 -15.045 -6.707 4.504 47 1HG2 VAL 6 1HG2 VAL 6 -11.389 -6.390 4.029 48 2HG2 VAL 6 2HG2 VAL 6 -12.874 -7.127 3.377 49 3HG2 VAL 6 3HG2 VAL 6 -12.656 -5.360 3.333 50 H GLU 7 H GLU 7 -11.788 -5.615 8.520 51 HA GLU 7 HA GLU 7 -9.018 -4.953 7.944 52 1HB GLU 7 1HB GLU 7 -10.300 -5.965 10.526 53 2HB GLU 7 2HB GLU 7 -8.637 -5.372 10.360 54 1HG GLU 7 1HG GLU 7 -9.504 -3.169 9.572 55 2HG GLU 7 2HG GLU 7 -11.157 -3.747 9.861 56 H VAL 8 H VAL 8 -7.210 -6.137 8.267 57 HA VAL 8 HA VAL 8 -7.442 -9.079 8.303 58 HB VAL 8 HB VAL 8 -6.945 -9.237 6.102 59 1HG1 VAL 8 1HG2 VAL 8 -8.344 -7.208 5.874 60 2HG1 VAL 8 2HG2 VAL 8 -6.882 -6.203 5.998 61 3HG1 VAL 8 3HG2 VAL 8 -7.080 -7.316 4.616 62 1HG2 VAL 8 1HG1 VAL 8 -4.693 -7.252 6.613 63 2HG2 VAL 8 2HG1 VAL 8 -4.571 -9.031 6.639 64 3HG2 VAL 8 3HG1 VAL 8 -4.898 -8.189 5.116 65 H ARG 9 H ARG 9 -5.560 -10.031 9.248 66 HA ARG 9 HA ARG 9 -3.581 -8.071 10.305 67 1HB ARG 9 1HB ARG 9 -3.957 -10.018 11.756 68 2HB ARG 9 2HB ARG 9 -3.757 -11.113 10.360 69 1HG ARG 9 1HG ARG 9 -1.427 -9.714 10.232 70 2HG ARG 9 2HG ARG 9 -1.672 -9.769 11.989 71 1HD ARG 9 1HD ARG 9 -0.388 -11.739 11.005 72 2HD ARG 9 2HD ARG 9 -1.868 -12.229 11.859 73 HE ARG 9 HE ARG 9 -2.774 -11.967 9.310 74 1HH1 ARG 9 2HH1 ARG 9 0.147 -13.547 10.506 75 2HH1 ARG 9 1HH1 ARG 9 -0.013 -14.932 9.456 76 1HH2 ARG 9 1HH2 ARG 9 -3.085 -13.891 8.053 77 2HH2 ARG 9 2HH2 ARG 9 -1.816 -15.075 7.972 78 H LEU 10 H LEU 10 -1.673 -7.630 9.198 79 HA LEU 10 HA LEU 10 -1.413 -8.279 6.473 80 1HB LEU 10 1HB LEU 10 0.520 -7.241 8.539 81 2HB LEU 10 2HB LEU 10 1.143 -7.900 7.017 82 HG LEU 10 HG LEU 10 0.900 -5.681 6.507 83 1HD1 LEU 10 1HD1 LEU 10 -0.102 -7.124 4.824 84 2HD1 LEU 10 2HD1 LEU 10 -1.691 -6.999 5.623 85 3HD1 LEU 10 3HD1 LEU 10 -0.942 -5.557 4.889 86 1HD2 LEU 10 1HD2 LEU 10 -0.326 -5.017 8.525 87 2HD2 LEU 10 2HD2 LEU 10 -1.100 -4.332 7.076 88 3HD2 LEU 10 3HD2 LEU 10 -1.817 -5.750 7.882 89 H LYS 11 H LYS 11 -1.785 -10.449 6.115 90 HA LYS 11 HA LYS 11 -0.060 -12.503 7.217 91 1HB LYS 11 1HB LYS 11 -2.241 -13.105 6.582 92 2HB LYS 11 2HB LYS 11 -2.133 -12.261 5.024 93 1HG LYS 11 1HG LYS 11 -0.303 -14.588 5.604 94 2HG LYS 11 2HG LYS 11 -1.990 -14.852 5.150 95 1HD LYS 11 1HD LYS 11 0.107 -13.367 3.516 96 2HD LYS 11 2HD LYS 11 -0.766 -14.854 3.063 97 1HE LYS 11 1HE LYS 11 -2.915 -13.453 3.419 98 2HE LYS 11 2HE LYS 11 -1.835 -12.046 3.498 99 1HZ LYS 11 1HZ LYS 11 -1.108 -12.642 1.244 100 2HZ LYS 11 2HZ LYS 11 -2.175 -13.904 1.234 101 3HZ LYS 11 3HZ LYS 11 -2.740 -12.367 1.315 102 H THR 12 H THR 12 -0.326 -10.603 4.173 103 HA THR 12 HA THR 12 2.150 -11.666 3.081 104 HB THR 12 HB THR 12 2.042 -9.595 1.657 105 HG1 THR 12 HG1 THR 12 0.038 -8.418 1.834 106 1HG2 THR 12 1HG2 THR 12 -0.532 -11.212 1.851 107 2HG2 THR 12 2HG2 THR 12 0.027 -10.311 0.417 108 3HG2 THR 12 3HG2 THR 12 0.948 -11.718 0.999 109 H GLY 13 H GLY 13 1.085 -8.609 4.583 110 1HA GLY 13 1HA GLY 13 2.192 -6.984 5.844 111 2HA GLY 13 2HA GLY 13 3.559 -8.096 6.118 112 H LEU 14 H LEU 14 2.007 -7.388 3.085 113 HA LEU 14 HA LEU 14 2.839 -6.640 1.048 114 1HB LEU 14 1HB LEU 14 2.839 -4.389 3.036 115 2HB LEU 14 2HB LEU 14 3.240 -4.120 1.333 116 HG LEU 14 HG LEU 14 0.851 -3.743 1.693 117 1HD1 LEU 14 1HD2 LEU 14 1.598 -4.685 -0.466 118 2HD1 LEU 14 2HD2 LEU 14 1.348 -6.324 0.178 119 3HD1 LEU 14 3HD2 LEU 14 -0.040 -5.228 -0.032 120 1HD2 LEU 14 1HD1 LEU 14 0.526 -5.289 3.615 121 2HD2 LEU 14 2HD1 LEU 14 -0.679 -5.529 2.323 122 3HD2 LEU 14 3HD1 LEU 14 0.679 -6.667 2.500 123 H GLN 15 H GLN 15 4.740 -8.189 1.601 124 HA GLN 15 HA GLN 15 7.223 -6.674 2.070 125 1HB GLN 15 1HB GLN 15 6.792 -9.668 1.797 126 2HB GLN 15 2HB GLN 15 8.302 -8.861 2.283 127 1HG GLN 15 1HG GLN 15 7.048 -7.773 4.172 128 2HG GLN 15 2HG GLN 15 5.632 -8.753 3.751 129 1HE2 GLN 15 2HE2 GLN 15 5.435 -10.660 4.833 130 2HE2 GLN 15 1HE2 GLN 15 6.771 -11.550 5.547 131 H ALA 16 H ALA 16 6.202 -9.095 -0.492 132 HA ALA 16 HA ALA 16 7.728 -7.354 -2.344 133 1HB ALA 16 1HB ALA 16 9.443 -8.718 -1.271 134 2HB ALA 16 2HB ALA 16 8.564 -10.202 -1.720 135 3HB ALA 16 3HB ALA 16 9.264 -9.168 -2.987 136 H ARG 17 H ARG 17 5.551 -10.168 -1.924 137 HA ARG 17 HA ARG 17 5.219 -9.913 -4.889 138 1HB ARG 17 1HB ARG 17 6.417 -12.112 -3.617 139 2HB ARG 17 2HB ARG 17 4.807 -12.669 -4.147 140 1HG ARG 17 1HG ARG 17 6.452 -12.939 -5.982 141 2HG ARG 17 2HG ARG 17 5.259 -11.686 -6.399 142 1HD ARG 17 1HD ARG 17 7.419 -10.780 -6.951 143 2HD ARG 17 2HD ARG 17 6.886 -9.967 -5.461 144 HE ARG 17 HE ARG 17 8.536 -12.358 -5.059 145 1HH1 ARG 17 2HH1 ARG 17 8.382 -8.848 -5.258 146 2HH1 ARG 17 1HH1 ARG 17 10.075 -8.590 -4.915 147 1HH2 ARG 17 1HH2 ARG 17 10.702 -12.047 -4.362 148 2HH2 ARG 17 2HH2 ARG 17 11.375 -10.444 -4.245 149 HA PRO 18 HA PRO 18 0.989 -11.795 -3.268 150 1HB PRO 18 1HB PRO 18 0.776 -11.916 -0.537 151 2HB PRO 18 2HB PRO 18 1.507 -13.273 -1.465 152 1HG PRO 18 1HG PRO 18 2.992 -10.862 -0.325 153 2HG PRO 18 2HG PRO 18 3.382 -12.506 0.131 154 1HD PRO 18 1HD PRO 18 4.775 -11.530 -1.756 155 2HD PRO 18 2HD PRO 18 3.944 -13.064 -2.190 156 H ALA 19 H ALA 19 2.866 -9.616 -1.188 157 HA ALA 19 HA ALA 19 1.110 -7.622 -0.460 158 1HB ALA 19 1HB ALA 19 3.945 -7.689 -1.506 159 2HB ALA 19 2HB ALA 19 3.303 -6.397 -0.430 160 3HB ALA 19 3HB ALA 19 3.469 -8.091 0.161 161 H ALA 20 H ALA 20 3.038 -8.020 -3.443 162 HA ALA 20 HA ALA 20 2.320 -5.493 -4.672 163 1HB ALA 20 1HB ALA 20 3.339 -8.124 -5.831 164 2HB ALA 20 2HB ALA 20 3.260 -6.573 -6.701 165 3HB ALA 20 3HB ALA 20 4.356 -6.757 -5.309 166 H LEU 21 H LEU 21 1.180 -8.834 -4.675 167 HA LEU 21 HA LEU 21 -0.900 -8.547 -6.620 168 1HB LEU 21 1HB LEU 21 0.081 -10.657 -5.671 169 2HB LEU 21 2HB LEU 21 -0.909 -10.402 -4.220 170 HG LEU 21 HG LEU 21 -2.031 -10.575 -7.052 171 1HD1 LEU 21 1HD1 LEU 21 -1.744 -12.720 -4.906 172 2HD1 LEU 21 2HD1 LEU 21 -2.629 -12.907 -6.440 173 3HD1 LEU 21 3HD1 LEU 21 -0.866 -12.661 -6.452 174 1HD2 LEU 21 1HD2 LEU 21 -3.310 -10.880 -4.297 175 2HD2 LEU 21 2HD2 LEU 21 -3.508 -9.485 -5.383 176 3HD2 LEU 21 3HD2 LEU 21 -4.145 -11.078 -5.855 177 H PHE 22 H PHE 22 -0.847 -8.015 -3.104 178 HA PHE 22 HA PHE 22 -3.533 -7.296 -2.528 179 1HB PHE 22 1HB PHE 22 -1.940 -7.558 -0.827 180 2HB PHE 22 2HB PHE 22 -0.788 -6.447 -1.580 181 HD1 PHE 22 HD1 PHE 22 -1.692 -3.915 -1.826 182 HD2 PHE 22 HD2 PHE 22 -2.742 -6.761 1.226 183 HE1 PHE 22 HE1 PHE 22 -2.052 -2.063 -0.251 184 HE2 PHE 22 HE2 PHE 22 -3.116 -4.903 2.821 185 HZ PHE 22 HZ PHE 22 -2.779 -2.548 2.101 186 H VAL 23 H VAL 23 -0.789 -5.136 -3.319 187 HA VAL 23 HA VAL 23 -2.423 -2.826 -3.686 188 HB VAL 23 HB VAL 23 0.364 -3.555 -4.618 189 1HG1 VAL 23 1HG2 VAL 23 -1.050 -0.858 -4.818 190 2HG1 VAL 23 2HG2 VAL 23 0.670 -1.163 -5.147 191 3HG1 VAL 23 3HG2 VAL 23 -0.575 -1.884 -6.194 192 1HG2 VAL 23 1HG1 VAL 23 -0.818 -1.680 -2.505 193 2HG2 VAL 23 2HG1 VAL 23 -0.063 -3.260 -2.185 194 3HG2 VAL 23 3HG1 VAL 23 0.914 -1.916 -2.813 195 H GLN 24 H GLN 24 -1.486 -5.392 -5.912 196 HA GLN 24 HA GLN 24 -2.232 -4.183 -8.353 197 1HB GLN 24 1HB GLN 24 -0.782 -6.205 -7.952 198 2HB GLN 24 2HB GLN 24 -2.250 -7.109 -7.513 199 1HG GLN 24 1HG GLN 24 -3.186 -6.550 -9.789 200 2HG GLN 24 2HG GLN 24 -1.616 -5.807 -10.182 201 1HE2 GLN 24 2HE2 GLN 24 -3.227 -8.864 -9.224 202 2HE2 GLN 24 1HE2 GLN 24 -1.978 -9.911 -9.893 203 H GLU 25 H GLU 25 -4.041 -6.333 -6.098 204 HA GLU 25 HA GLU 25 -6.370 -6.399 -7.836 205 1HB GLU 25 1HB GLU 25 -6.112 -7.164 -4.894 206 2HB GLU 25 2HB GLU 25 -7.390 -7.670 -6.023 207 1HG GLU 25 1HG GLU 25 -4.436 -8.334 -6.249 208 2HG GLU 25 2HG GLU 25 -5.714 -9.458 -5.730 209 H ALA 26 H ALA 26 -5.479 -4.860 -4.762 210 HA ALA 26 HA ALA 26 -7.755 -3.294 -4.216 211 1HB ALA 26 1HB ALA 26 -4.791 -2.623 -4.144 212 2HB ALA 26 2HB ALA 26 -6.040 -1.760 -3.208 213 3HB ALA 26 3HB ALA 26 -5.659 -3.471 -2.832 214 H ASN 27 H ASN 27 -4.899 -2.661 -6.230 215 HA ASN 27 HA ASN 27 -5.501 -0.189 -7.350 216 1HB ASN 27 1HB ASN 27 -3.745 -2.489 -7.799 217 2HB ASN 27 2HB ASN 27 -4.457 -2.038 -9.340 218 1HD2 ASN 27 2HD2 ASN 27 -2.446 -0.997 -6.695 219 2HD2 ASN 27 1HD2 ASN 27 -1.677 0.387 -7.487 220 H ARG 28 H ARG 28 -6.151 -3.459 -8.556 221 HA ARG 28 HA ARG 28 -7.105 -2.602 -11.103 222 1HB ARG 28 1HB ARG 28 -7.536 -5.170 -9.654 223 2HB ARG 28 2HB ARG 28 -8.109 -4.810 -11.302 224 1HG ARG 28 1HG ARG 28 -5.220 -4.648 -10.307 225 2HG ARG 28 2HG ARG 28 -5.906 -5.810 -11.451 226 1HD ARG 28 1HD ARG 28 -4.829 -4.356 -12.875 227 2HD ARG 28 2HD ARG 28 -6.480 -3.727 -12.914 228 HE ARG 28 HE ARG 28 -4.179 -2.608 -11.340 229 1HH1 ARG 28 1HH2 ARG 28 -7.274 -2.145 -13.002 230 2HH1 ARG 28 2HH2 ARG 28 -7.296 -0.426 -12.759 231 1HH2 ARG 28 2HH1 ARG 28 -4.210 -0.305 -11.025 232 2HH2 ARG 28 1HH1 ARG 28 -5.543 0.612 -11.651 233 H PHE 29 H PHE 29 -8.776 -3.292 -8.036 234 HA PHE 29 HA PHE 29 -11.383 -2.692 -9.237 235 1HB PHE 29 1HB PHE 29 -10.480 -2.997 -6.374 236 2HB PHE 29 2HB PHE 29 -12.140 -2.606 -6.854 237 HD1 PHE 29 HD1 PHE 29 -10.292 -4.738 -9.124 238 HD2 PHE 29 HD2 PHE 29 -12.919 -4.741 -5.725 239 HE1 PHE 29 HE1 PHE 29 -10.901 -7.102 -9.616 240 HE2 PHE 29 HE2 PHE 29 -13.472 -7.124 -6.173 241 HZ PHE 29 HZ PHE 29 -12.513 -8.289 -8.137 242 H THR 30 H THR 30 -12.125 -0.850 -9.614 243 HA THR 30 HA THR 30 -10.330 1.447 -9.492 244 HB THR 30 HB THR 30 -13.067 0.934 -10.671 245 HG1 THR 30 HG1 THR 30 -11.036 -0.039 -11.494 246 1HG2 THR 30 1HG2 THR 30 -11.306 3.382 -11.003 247 2HG2 THR 30 2HG2 THR 30 -12.828 3.032 -11.887 248 3HG2 THR 30 3HG2 THR 30 -12.856 3.299 -10.123 249 H SER 31 H SER 31 -10.498 1.177 -7.084 250 HA SER 31 HA SER 31 -12.469 3.042 -5.888 251 1HB SER 31 1HB SER 31 -11.172 0.525 -4.755 252 2HB SER 31 2HB SER 31 -12.449 1.494 -3.978 253 HG SER 31 HG SER 31 -13.110 -0.510 -5.171 254 H ASP 32 H ASP 32 -11.747 4.366 -4.267 255 HA ASP 32 HA ASP 32 -8.895 4.874 -4.048 256 1HB ASP 32 1HB ASP 32 -10.699 6.569 -3.854 257 2HB ASP 32 2HB ASP 32 -11.295 5.722 -2.409 258 H VAL 33 H VAL 33 -8.152 2.881 -3.555 259 HA VAL 33 HA VAL 33 -9.168 1.306 -1.335 260 HB VAL 33 HB VAL 33 -6.829 0.871 -3.224 261 1HG1 VAL 33 1HG1 VAL 33 -8.344 -1.067 -1.427 262 2HG1 VAL 33 2HG1 VAL 33 -7.071 -1.506 -2.588 263 3HG1 VAL 33 3HG1 VAL 33 -6.678 -0.512 -1.159 264 1HG2 VAL 33 1HG2 VAL 33 -9.050 1.117 -4.303 265 2HG2 VAL 33 2HG2 VAL 33 -8.456 -0.553 -4.423 266 3HG2 VAL 33 3HG2 VAL 33 -9.713 -0.133 -3.228 267 H PHE 34 H PHE 34 -8.099 0.613 0.459 268 HA PHE 34 HA PHE 34 -5.673 2.066 1.311 269 1HB PHE 34 1HB PHE 34 -8.240 2.234 2.916 270 2HB PHE 34 2HB PHE 34 -6.650 2.870 3.344 271 HD1 PHE 34 HD1 PHE 34 -5.642 4.743 2.047 272 HD2 PHE 34 HD2 PHE 34 -9.716 3.491 1.466 273 HE1 PHE 34 HE1 PHE 34 -6.205 6.999 1.147 274 HE2 PHE 34 HE2 PHE 34 -10.252 5.698 0.468 275 HZ PHE 34 HZ PHE 34 -8.527 7.474 0.375 276 H LEU 35 H LEU 35 -5.140 1.436 3.665 277 HA LEU 35 HA LEU 35 -6.221 -1.093 4.629 278 1HB LEU 35 1HB LEU 35 -3.895 -1.713 5.100 279 2HB LEU 35 2HB LEU 35 -4.219 -1.800 3.346 280 HG LEU 35 HG LEU 35 -3.107 0.698 4.647 281 1HD1 LEU 35 1HD2 LEU 35 -1.544 -1.791 3.883 282 2HD1 LEU 35 2HD2 LEU 35 -0.823 -0.224 4.321 283 3HD1 LEU 35 3HD2 LEU 35 -1.765 -1.141 5.525 284 1HD2 LEU 35 1HD1 LEU 35 -2.677 -0.648 1.936 285 2HD2 LEU 35 2HD1 LEU 35 -3.732 0.752 2.247 286 3HD2 LEU 35 3HD1 LEU 35 -1.970 0.908 2.438 287 H GLU 36 H GLU 36 -6.465 -0.802 6.802 288 HA GLU 36 HA GLU 36 -5.228 1.663 7.995 289 1HB GLU 36 1HB GLU 36 -7.730 0.246 8.955 290 2HB GLU 36 2HB GLU 36 -7.198 1.911 9.308 291 1HG GLU 36 1HG GLU 36 -7.521 2.510 6.937 292 2HG GLU 36 2HG GLU 36 -8.023 0.856 6.567 293 H LYS 37 H LYS 37 -3.364 0.751 9.037 294 HA LYS 37 HA LYS 37 -3.178 -1.838 10.209 295 1HB LYS 37 1HB LYS 37 -1.698 0.781 10.168 296 2HB LYS 37 2HB LYS 37 -1.266 -0.421 11.381 297 1HG LYS 37 1HG LYS 37 -0.807 -2.084 9.623 298 2HG LYS 37 2HG LYS 37 -1.257 -0.917 8.368 299 1HD LYS 37 1HD LYS 37 1.230 -1.006 8.718 300 2HD LYS 37 2HD LYS 37 0.577 0.591 9.175 301 1HE LYS 37 1HE LYS 37 0.442 -0.155 11.547 302 2HE LYS 37 2HE LYS 37 1.150 -1.719 11.094 303 1HZ LYS 37 1HZ LYS 37 2.454 0.896 10.767 304 2HZ LYS 37 2HZ LYS 37 2.776 -0.201 11.956 305 3HZ LYS 37 3HZ LYS 37 3.100 -0.575 10.387 306 H ASP 38 H ASP 38 -5.207 -1.859 11.504 307 HA ASP 38 HA ASP 38 -6.390 -1.628 13.440 308 1HB ASP 38 1HB ASP 38 -3.632 -1.021 14.538 309 2HB ASP 38 2HB ASP 38 -5.067 -1.346 15.537 310 H GLY 39 H GLY 39 -6.022 0.639 11.618 311 1HA GLY 39 1HA GLY 39 -7.251 2.796 12.244 312 2HA GLY 39 2HA GLY 39 -6.073 2.866 13.580 313 H LYS 40 H LYS 40 -3.824 1.815 11.830 314 HA LYS 40 HA LYS 40 -2.996 4.413 10.850 315 1HB LYS 40 1HB LYS 40 -1.597 1.759 10.477 316 2HB LYS 40 2HB LYS 40 -0.871 3.375 10.534 317 1HG LYS 40 1HG LYS 40 -2.110 1.758 12.793 318 2HG LYS 40 2HG LYS 40 -0.422 2.276 12.658 319 1HD LYS 40 1HD LYS 40 -2.795 4.179 12.951 320 2HD LYS 40 2HD LYS 40 -1.814 3.586 14.299 321 1HE LYS 40 1HE LYS 40 -0.986 5.750 13.759 322 2HE LYS 40 2HE LYS 40 0.226 4.578 13.207 323 1HZ LYS 40 1HZ LYS 40 -1.790 5.899 11.515 324 2HZ LYS 40 2HZ LYS 40 -0.201 6.318 11.614 325 3HZ LYS 40 3HZ LYS 40 -0.624 4.856 10.991 326 H LYS 41 H LYS 41 -4.871 4.482 9.330 327 HA LYS 41 HA LYS 41 -4.727 2.714 7.026 328 1HB LYS 41 1HB LYS 41 -6.843 3.235 7.845 329 2HB LYS 41 2HB LYS 41 -6.536 4.966 7.889 330 1HG LYS 41 1HG LYS 41 -6.512 3.470 5.242 331 2HG LYS 41 2HG LYS 41 -8.034 3.969 6.006 332 1HD LYS 41 1HD LYS 41 -6.900 6.303 6.275 333 2HD LYS 41 2HD LYS 41 -5.807 5.745 4.994 334 1HE LYS 41 1HE LYS 41 -7.726 6.933 4.005 335 2HE LYS 41 2HE LYS 41 -7.837 5.217 3.587 336 1HZ LYS 41 1HZ LYS 41 -9.353 4.984 5.481 337 2HZ LYS 41 2HZ LYS 41 -9.312 6.613 5.715 338 3HZ LYS 41 3HZ LYS 41 -9.932 5.987 4.319 339 H VAL 42 H VAL 42 -4.266 3.053 5.030 340 HA VAL 42 HA VAL 42 -3.275 5.582 3.929 341 HB VAL 42 HB VAL 42 -1.288 4.663 5.006 342 1HG1 VAL 42 1HG2 VAL 42 -2.097 2.324 5.205 343 2HG1 VAL 42 2HG2 VAL 42 -1.939 2.114 3.445 344 3HG1 VAL 42 3HG2 VAL 42 -0.487 2.367 4.447 345 1HG2 VAL 42 1HG1 VAL 42 -0.906 5.652 2.825 346 2HG2 VAL 42 2HG1 VAL 42 0.194 4.273 3.096 347 3HG2 VAL 42 3HG1 VAL 42 -1.231 4.079 2.045 348 H ASN 43 H ASN 43 -2.741 5.354 1.689 349 HA ASN 43 HA ASN 43 -4.945 4.005 0.352 350 1HB ASN 43 1HB ASN 43 -4.102 6.246 -0.358 351 2HB ASN 43 2HB ASN 43 -2.583 5.464 -0.870 352 1HD2 ASN 43 2HD2 ASN 43 -5.976 6.004 -1.627 353 2HD2 ASN 43 1HD2 ASN 43 -5.955 5.173 -3.157 354 H ALA 44 H ALA 44 -4.921 2.096 0.211 355 HA ALA 44 HA ALA 44 -2.994 0.134 0.573 356 1HB ALA 44 1HB ALA 44 -5.446 -0.249 0.627 357 2HB ALA 44 2HB ALA 44 -5.505 -0.018 -1.133 358 3HB ALA 44 3HB ALA 44 -4.637 -1.410 -0.453 359 H LYS 45 H LYS 45 -3.925 1.659 -2.499 360 HA LYS 45 HA LYS 45 -2.291 -0.313 -3.992 361 1HB LYS 45 1HB LYS 45 -3.020 1.018 -5.982 362 2HB LYS 45 2HB LYS 45 -4.367 0.304 -5.067 363 1HG LYS 45 1HG LYS 45 -4.862 2.402 -4.001 364 2HG LYS 45 2HG LYS 45 -3.374 3.135 -4.573 365 1HD LYS 45 1HD LYS 45 -5.495 3.771 -5.904 366 2HD LYS 45 2HD LYS 45 -4.114 3.185 -6.849 367 1HE LYS 45 1HE LYS 45 -6.171 2.127 -7.662 368 2HE LYS 45 2HE LYS 45 -5.058 0.945 -6.948 369 1HZ LYS 45 1HZ LYS 45 -6.385 1.053 -4.939 370 2HZ LYS 45 2HZ LYS 45 -7.463 2.068 -5.672 371 3HZ LYS 45 3HZ LYS 45 -7.269 0.532 -6.224 372 H SER 46 H SER 46 -1.859 2.704 -2.398 373 HA SER 46 HA SER 46 0.202 3.700 -4.204 374 1HB SER 46 1HB SER 46 -0.733 4.428 -1.396 375 2HB SER 46 2HB SER 46 0.531 5.320 -2.278 376 HG SER 46 HG SER 46 -2.103 4.871 -3.259 377 H ILE 47 H ILE 47 2.363 3.688 -3.849 378 HA ILE 47 HA ILE 47 3.747 1.587 -2.822 379 HB ILE 47 HB ILE 47 4.775 3.406 -4.134 380 1HG1 ILE 47 1HG1 ILE 47 5.770 2.260 -1.610 381 2HG1 ILE 47 2HG1 ILE 47 6.551 2.285 -3.198 382 1HG2 ILE 47 1HG2 ILE 47 3.570 5.291 -3.007 383 2HG2 ILE 47 2HG2 ILE 47 4.549 5.021 -1.557 384 3HG2 ILE 47 3HG2 ILE 47 5.331 5.570 -3.053 385 1HD1 ILE 47 1HD1 ILE 47 6.406 4.562 -1.172 386 2HD1 ILE 47 2HD1 ILE 47 7.835 3.548 -1.496 387 3HD1 ILE 47 3HD1 ILE 47 7.220 4.660 -2.755 388 H MET 48 H MET 48 3.041 4.598 -0.972 389 HA MET 48 HA MET 48 4.269 3.565 1.403 390 1HB MET 48 1HB MET 48 4.193 5.922 0.887 391 2HB MET 48 2HB MET 48 2.421 5.928 0.891 392 1HG MET 48 1HG MET 48 2.441 5.337 3.296 393 2HG MET 48 2HG MET 48 4.205 5.159 3.242 394 1HE MET 48 1HE MET 48 5.898 7.042 2.978 395 2HE MET 48 2HE MET 48 5.093 7.586 1.485 396 3HE MET 48 3HE MET 48 5.486 8.763 2.765 397 H GLY 49 H GLY 49 1.146 3.004 -0.025 398 1HA GLY 49 1HA GLY 49 -0.162 2.352 2.509 399 2HA GLY 49 2HA GLY 49 -0.782 2.063 0.855 400 H LEU 50 H LEU 50 1.296 0.667 -0.360 401 HA LEU 50 HA LEU 50 1.061 -1.940 0.806 402 1HB LEU 50 1HB LEU 50 1.196 -1.204 -1.641 403 2HB LEU 50 2HB LEU 50 2.924 -0.923 -1.374 404 HG LEU 50 HG LEU 50 1.443 -3.576 -1.186 405 1HD1 LEU 50 1HD1 LEU 50 3.614 -2.494 -3.031 406 2HD1 LEU 50 2HD1 LEU 50 2.918 -4.136 -3.097 407 3HD1 LEU 50 3HD1 LEU 50 1.903 -2.718 -3.462 408 1HD2 LEU 50 1HD2 LEU 50 4.396 -2.961 -0.785 409 2HD2 LEU 50 2HD2 LEU 50 3.257 -3.452 0.489 410 3HD2 LEU 50 3HD2 LEU 50 3.652 -4.588 -0.826 411 H MET 51 H MET 51 3.964 -0.130 -0.125 412 HA MET 51 HA MET 51 5.807 -1.864 1.187 413 1HB MET 51 1HB MET 51 6.216 -0.459 -0.895 414 2HB MET 51 2HB MET 51 6.116 0.973 0.145 415 1HG MET 51 1HG MET 51 7.962 -0.127 1.560 416 2HG MET 51 2HG MET 51 8.204 -1.219 0.187 417 1HE MET 51 1HE MET 51 7.109 2.501 0.247 418 2HE MET 51 2HE MET 51 8.329 2.437 1.545 419 3HE MET 51 3HE MET 51 8.652 3.372 0.063 420 H SER 52 H SER 52 4.359 1.321 2.055 421 HA SER 52 HA SER 52 6.212 1.481 4.305 422 1HB SER 52 1HB SER 52 3.805 3.231 3.721 423 2HB SER 52 2HB SER 52 5.146 3.590 4.834 424 HG SER 52 HG SER 52 6.537 3.403 2.929 425 H LEU 53 H LEU 53 2.595 1.687 4.350 426 HA LEU 53 HA LEU 53 2.676 0.835 7.116 427 1HB LEU 53 1HB LEU 53 0.545 1.579 5.110 428 2HB LEU 53 2HB LEU 53 0.147 0.850 6.676 429 HG LEU 53 HG LEU 53 1.469 2.657 7.823 430 1HD1 LEU 53 1HD2 LEU 53 1.659 3.828 5.008 431 2HD1 LEU 53 2HD2 LEU 53 2.142 4.655 6.511 432 3HD1 LEU 53 3HD2 LEU 53 3.022 3.205 5.968 433 1HD2 LEU 53 1HD1 LEU 53 -0.956 2.894 7.436 434 2HD2 LEU 53 2HD1 LEU 53 -0.128 4.480 7.330 435 3HD2 LEU 53 3HD1 LEU 53 -0.616 3.623 5.845 436 H ALA 54 H ALA 54 1.154 -0.575 4.211 437 HA ALA 54 HA ALA 54 0.075 -2.878 5.362 438 1HB ALA 54 1HB ALA 54 -0.437 -1.938 3.104 439 2HB ALA 54 2HB ALA 54 1.160 -2.479 2.554 440 3HB ALA 54 3HB ALA 54 -0.056 -3.677 3.050 441 H VAL 55 H VAL 55 3.393 -2.172 4.510 442 HA VAL 55 HA VAL 55 4.257 -4.889 4.442 443 HB VAL 55 HB VAL 55 5.477 -2.766 3.611 444 1HG1 VAL 55 1HG2 VAL 55 5.409 -1.549 5.784 445 2HG1 VAL 55 2HG2 VAL 55 6.432 -2.816 6.509 446 3HG1 VAL 55 3HG2 VAL 55 7.073 -1.784 5.204 447 1HG2 VAL 55 1HG1 VAL 55 6.985 -4.871 5.203 448 2HG2 VAL 55 2HG1 VAL 55 6.434 -5.021 3.517 449 3HG2 VAL 55 3HG1 VAL 55 7.685 -3.826 3.941 450 H SER 56 H SER 56 2.989 -3.233 7.093 451 HA SER 56 HA SER 56 4.753 -4.537 8.990 452 1HB SER 56 1HB SER 56 2.048 -3.254 9.538 453 2HB SER 56 2HB SER 56 3.376 -3.498 10.681 454 HG SER 56 HG SER 56 3.343 -1.774 8.405 455 H THR 57 H THR 57 4.350 -6.664 7.754 456 HA THR 57 HA THR 57 2.244 -8.320 7.886 457 HB THR 57 HB THR 57 4.874 -9.203 9.075 458 HG1 THR 57 HG1 THR 57 5.557 -9.267 6.788 459 1HG2 THR 57 1HG2 THR 57 3.001 -10.330 6.945 460 2HG2 THR 57 2HG2 THR 57 4.437 -11.154 7.603 461 3HG2 THR 57 3HG2 THR 57 3.030 -10.827 8.647 462 H GLY 58 H GLY 58 0.849 -9.070 9.398 463 1HA GLY 58 1HA GLY 58 0.291 -9.907 11.560 464 2HA GLY 58 2HA GLY 58 1.670 -9.018 12.238 465 H THR 59 H THR 59 0.484 -6.570 10.436 466 HA THR 59 HA THR 59 -0.953 -5.579 12.779 467 HB THR 59 HB THR 59 -0.551 -4.256 10.059 468 HG1 THR 59 HG1 THR 59 1.423 -4.824 11.054 469 1HG2 THR 59 1HG2 THR 59 -0.824 -2.156 11.354 470 2HG2 THR 59 2HG2 THR 59 -2.262 -3.199 11.511 471 3HG2 THR 59 3HG2 THR 59 -1.081 -3.109 12.834 472 H GLU 60 H GLU 60 -3.213 -5.188 12.946 473 HA GLU 60 HA GLU 60 -4.805 -6.627 10.943 474 1HB GLU 60 1HB GLU 60 -5.745 -5.066 13.374 475 2HB GLU 60 2HB GLU 60 -6.604 -6.365 12.490 476 1HG GLU 60 1HG GLU 60 -3.921 -6.822 13.836 477 2HG GLU 60 2HG GLU 60 -5.452 -7.035 14.693 478 H VAL 61 H VAL 61 -4.334 -5.284 9.181 479 HA VAL 61 HA VAL 61 -5.234 -2.465 9.310 480 HB VAL 61 HB VAL 61 -4.258 -2.319 7.020 481 1HG1 VAL 61 1HG1 VAL 61 -2.472 -3.526 9.182 482 2HG1 VAL 61 2HG1 VAL 61 -1.864 -2.710 7.720 483 3HG1 VAL 61 3HG1 VAL 61 -2.803 -1.793 8.919 484 1HG2 VAL 61 1HG2 VAL 61 -4.496 -4.745 6.448 485 2HG2 VAL 61 2HG2 VAL 61 -2.795 -4.173 6.294 486 3HG2 VAL 61 3HG2 VAL 61 -3.292 -5.110 7.725 487 H THR 62 H THR 62 -7.128 -1.820 8.588 488 HA THR 62 HA THR 62 -8.933 -3.678 7.331 489 HB THR 62 HB THR 62 -9.434 -0.741 7.166 490 HG1 THR 62 HG1 THR 62 -9.659 -0.470 9.313 491 1HG2 THR 62 1HG2 THR 62 -11.633 -1.429 8.112 492 2HG2 THR 62 2HG2 THR 62 -11.215 -2.377 6.678 493 3HG2 THR 62 3HG2 THR 62 -11.017 -3.089 8.299 494 H LEU 63 H LEU 63 -8.816 -4.240 5.193 495 HA LEU 63 HA LEU 63 -7.537 -2.528 3.198 496 1HB LEU 63 1HB LEU 63 -8.773 -5.258 3.377 497 2HB LEU 63 2HB LEU 63 -8.833 -4.442 1.810 498 HG LEU 63 HG LEU 63 -6.813 -5.862 2.016 499 1HD1 LEU 63 1HD1 LEU 63 -6.248 -2.865 2.001 500 2HD1 LEU 63 2HD1 LEU 63 -5.173 -4.127 1.351 501 3HD1 LEU 63 3HD1 LEU 63 -6.763 -3.838 0.604 502 1HD2 LEU 63 1HD2 LEU 63 -6.494 -5.655 4.463 503 2HD2 LEU 63 2HD2 LEU 63 -5.016 -5.211 3.575 504 3HD2 LEU 63 3HD2 LEU 63 -6.063 -3.942 4.257 505 H ILE 64 H ILE 64 -8.502 -0.873 2.475 506 HA ILE 64 HA ILE 64 -11.456 -0.557 2.514 507 HB ILE 64 HB ILE 64 -9.224 1.484 2.099 508 1HG1 ILE 64 1HG1 ILE 64 -10.804 0.887 4.619 509 2HG1 ILE 64 2HG1 ILE 64 -9.065 0.592 4.383 510 1HG2 ILE 64 1HG2 ILE 64 -12.187 1.799 2.698 511 2HG2 ILE 64 2HG2 ILE 64 -11.010 3.133 2.621 512 3HG2 ILE 64 3HG2 ILE 64 -11.375 2.177 1.161 513 1HD1 ILE 64 1HD1 ILE 64 -10.475 3.300 4.229 514 2HD1 ILE 64 2HD1 ILE 64 -9.485 2.729 5.589 515 3HD1 ILE 64 3HD1 ILE 64 -8.732 3.036 4.008 516 H ALA 65 H ALA 65 -12.514 0.186 0.624 517 HA ALA 65 HA ALA 65 -10.956 0.934 -1.676 518 1HB ALA 65 1HB ALA 65 -12.869 -1.417 -1.972 519 2HB ALA 65 2HB ALA 65 -12.105 -0.535 -3.298 520 3HB ALA 65 3HB ALA 65 -11.101 -1.499 -2.193 521 H GLN 66 H GLN 66 -11.845 2.770 -2.062 522 HA GLN 66 HA GLN 66 -14.811 2.953 -1.800 523 1HB GLN 66 1HB GLN 66 -13.464 4.149 -0.093 524 2HB GLN 66 2HB GLN 66 -12.512 4.909 -1.376 525 1HG GLN 66 1HG GLN 66 -15.075 5.500 -2.130 526 2HG GLN 66 2HG GLN 66 -15.185 5.541 -0.346 527 1HE2 GLN 66 2HE2 GLN 66 -13.248 6.651 -3.130 528 2HE2 GLN 66 1HE2 GLN 66 -12.653 8.145 -2.385 529 H GLY 67 H GLY 67 -14.596 1.989 -3.983 530 1HA GLY 67 1HA GLY 67 -14.370 4.077 -6.097 531 2HA GLY 67 2HA GLY 67 -13.508 2.558 -6.185 532 H GLU 68 H GLU 68 -14.695 2.426 -8.162 533 HA GLU 68 HA GLU 68 -17.398 1.768 -8.484 534 1HB GLU 68 1HB GLU 68 -14.862 0.644 -9.777 535 2HB GLU 68 2HB GLU 68 -16.494 0.426 -10.431 536 1HG GLU 68 1HG GLU 68 -16.731 2.899 -10.622 537 2HG GLU 68 2HG GLU 68 -15.080 3.093 -9.996 538 H ASP 69 H ASP 69 -14.603 -0.276 -7.371 539 HA ASP 69 HA ASP 69 -16.617 -2.408 -6.725 540 1HB ASP 69 1HB ASP 69 -13.777 -3.127 -6.794 541 2HB ASP 69 2HB ASP 69 -15.203 -4.062 -7.233 542 H GLU 70 H GLU 70 -16.641 -0.287 -5.114 543 HA GLU 70 HA GLU 70 -14.476 0.070 -3.390 544 1HB GLU 70 1HB GLU 70 -16.303 0.943 -1.826 545 2HB GLU 70 2HB GLU 70 -16.156 1.720 -3.408 546 1HG GLU 70 1HG GLU 70 -18.193 1.149 -4.082 547 2HG GLU 70 2HG GLU 70 -18.023 -0.522 -3.506 548 H GLN 71 H GLN 71 -17.388 -1.155 -1.836 549 HA GLN 71 HA GLN 71 -16.344 -2.701 0.093 550 1HB GLN 71 1HB GLN 71 -18.852 -2.488 -1.281 551 2HB GLN 71 2HB GLN 71 -18.475 -4.216 -1.120 552 1HG GLN 71 1HG GLN 71 -18.693 -2.151 1.091 553 2HG GLN 71 2HG GLN 71 -19.722 -3.573 0.834 554 1HE2 GLN 71 1HE2 GLN 71 -17.524 -5.446 0.223 555 2HE2 GLN 71 2HE2 GLN 71 -16.528 -5.600 1.597 556 H GLU 72 H GLU 72 -16.791 -3.741 -3.287 557 HA GLU 72 HA GLU 72 -16.144 -6.436 -2.791 558 1HB GLU 72 1HB GLU 72 -17.270 -5.899 -4.886 559 2HB GLU 72 2HB GLU 72 -16.209 -4.505 -5.171 560 1HG GLU 72 1HG GLU 72 -14.458 -5.731 -5.938 561 2HG GLU 72 2HG GLU 72 -15.092 -7.293 -5.362 562 H ALA 73 H ALA 73 -14.108 -3.653 -3.808 563 HA ALA 73 HA ALA 73 -11.697 -5.103 -4.343 564 1HB ALA 73 1HB ALA 73 -12.441 -2.320 -3.435 565 2HB ALA 73 2HB ALA 73 -10.817 -2.734 -4.072 566 3HB ALA 73 3HB ALA 73 -12.294 -2.844 -5.096 567 H LEU 74 H LEU 74 -12.914 -3.253 -1.564 568 HA LEU 74 HA LEU 74 -10.687 -3.703 0.140 569 1HB LEU 74 1HB LEU 74 -12.310 -2.939 1.921 570 2HB LEU 74 2HB LEU 74 -12.163 -1.890 0.477 571 HG LEU 74 HG LEU 74 -14.234 -3.569 -0.174 572 1HD1 LEU 74 1HD1 LEU 74 -14.389 -2.776 2.768 573 2HD1 LEU 74 2HD1 LEU 74 -15.715 -3.482 1.811 574 3HD1 LEU 74 3HD1 LEU 74 -14.254 -4.444 2.146 575 1HD2 LEU 74 1HD2 LEU 74 -14.248 -0.837 1.177 576 2HD2 LEU 74 2HD2 LEU 74 -14.035 -1.156 -0.558 577 3HD2 LEU 74 3HD2 LEU 74 -15.578 -1.529 0.220 578 H GLU 75 H GLU 75 -13.824 -5.480 -0.046 579 HA GLU 75 HA GLU 75 -13.151 -7.278 2.052 580 1HB GLU 75 1HB GLU 75 -14.982 -8.679 1.184 581 2HB GLU 75 2HB GLU 75 -15.447 -6.979 1.355 582 1HG GLU 75 1HG GLU 75 -15.035 -6.658 -1.087 583 2HG GLU 75 2HG GLU 75 -14.701 -8.398 -1.235 584 H LYS 76 H LYS 76 -12.822 -7.701 -1.548 585 HA LYS 76 HA LYS 76 -11.781 -10.321 -1.326 586 1HB LYS 76 1HB LYS 76 -11.119 -10.119 -3.573 587 2HB LYS 76 2HB LYS 76 -12.570 -9.103 -3.413 588 1HG LYS 76 1HG LYS 76 -11.204 -7.086 -3.346 589 2HG LYS 76 2HG LYS 76 -9.714 -8.074 -3.306 590 1HD LYS 76 1HD LYS 76 -10.499 -9.099 -5.529 591 2HD LYS 76 2HD LYS 76 -11.707 -7.804 -5.575 592 1HE LYS 76 1HE LYS 76 -8.699 -7.594 -5.729 593 2HE LYS 76 2HE LYS 76 -9.927 -6.969 -6.848 594 1HZ LYS 76 1HZ LYS 76 -10.578 -5.421 -5.165 595 2HZ LYS 76 2HZ LYS 76 -9.407 -5.948 -4.133 596 3HZ LYS 76 3HZ LYS 76 -9.003 -5.221 -5.567 597 H LEU 77 H LEU 77 -10.082 -7.167 -1.475 598 HA LEU 77 HA LEU 77 -7.461 -8.101 -1.271 599 1HB LEU 77 1HB LEU 77 -9.003 -5.643 -0.961 600 2HB LEU 77 2HB LEU 77 -7.539 -5.679 0.065 601 HG LEU 77 HG LEU 77 -7.327 -4.850 -2.459 602 1HD1 LEU 77 1HD1 LEU 77 -5.681 -5.046 -0.657 603 2HD1 LEU 77 2HD1 LEU 77 -5.553 -6.800 -0.977 604 3HD1 LEU 77 3HD1 LEU 77 -5.008 -5.627 -2.216 605 1HD2 LEU 77 1HD2 LEU 77 -6.846 -7.876 -2.596 606 2HD2 LEU 77 2HD2 LEU 77 -8.092 -7.011 -3.536 607 3HD2 LEU 77 3HD2 LEU 77 -6.360 -6.696 -3.824 608 H ALA 78 H ALA 78 -9.534 -6.915 1.486 609 HA ALA 78 HA ALA 78 -7.632 -7.655 3.450 610 1HB ALA 78 1HB ALA 78 -9.494 -6.132 3.940 611 2HB ALA 78 2HB ALA 78 -10.653 -7.470 3.736 612 3HB ALA 78 3HB ALA 78 -9.467 -7.497 5.058 613 H ALA 79 H ALA 79 -10.138 -9.600 1.817 614 HA ALA 79 HA ALA 79 -10.032 -11.879 3.535 615 1HB ALA 79 1HB ALA 79 -11.691 -11.490 1.689 616 2HB ALA 79 2HB ALA 79 -10.364 -11.699 0.512 617 3HB ALA 79 3HB ALA 79 -10.867 -13.066 1.537 618 H TYR 80 H TYR 80 -8.240 -10.944 0.591 619 HA TYR 80 HA TYR 80 -6.579 -13.243 0.409 620 1HB TYR 80 1HB TYR 80 -7.158 -11.767 -1.409 621 2HB TYR 80 2HB TYR 80 -6.496 -10.378 -0.554 622 HD1 TYR 80 HD1 TYR 80 -5.048 -13.776 -1.296 623 HD2 TYR 80 HD2 TYR 80 -4.639 -9.493 -1.485 624 HE1 TYR 80 HE1 TYR 80 -2.738 -14.033 -2.191 625 HE2 TYR 80 HE2 TYR 80 -2.319 -9.752 -2.347 626 HH TYR 80 HH TYR 80 -0.760 -11.166 -2.971 627 H VAL 81 H VAL 81 -5.684 -9.955 1.249 628 HA VAL 81 HA VAL 81 -3.058 -10.000 1.833 629 HB VAL 81 HB VAL 81 -3.574 -8.063 3.321 630 1HG1 VAL 81 1HG2 VAL 81 -3.641 -7.897 0.829 631 2HG1 VAL 81 2HG2 VAL 81 -5.367 -8.328 0.879 632 3HG1 VAL 81 3HG2 VAL 81 -4.821 -6.798 1.613 633 1HG2 VAL 81 1HG1 VAL 81 -5.549 -9.142 4.420 634 2HG2 VAL 81 2HG1 VAL 81 -5.983 -7.558 3.746 635 3HG2 VAL 81 3HG1 VAL 81 -6.440 -9.059 2.896 636 H GLN 82 H GLN 82 -5.503 -11.269 4.055 637 HA GLN 82 HA GLN 82 -3.387 -11.552 6.143 638 1HB GLN 82 1HB GLN 82 -5.215 -11.288 7.688 639 2HB GLN 82 2HB GLN 82 -5.419 -10.058 6.430 640 1HG GLN 82 1HG GLN 82 -7.125 -11.567 5.332 641 2HG GLN 82 2HG GLN 82 -6.778 -12.763 6.563 642 1HE2 GLN 82 2HE2 GLN 82 -8.726 -10.221 5.831 643 2HE2 GLN 82 1HE2 GLN 82 -9.315 -9.712 7.422 644 H GLU 83 H GLU 83 -4.960 -13.453 3.860 645 HA GLU 83 HA GLU 83 -6.201 -15.264 5.684 646 1HB GLU 83 1HB GLU 83 -6.983 -16.383 3.694 647 2HB GLU 83 2HB GLU 83 -7.042 -14.595 3.546 648 1HG GLU 83 1HG GLU 83 -4.929 -14.657 2.238 649 2HG GLU 83 2HG GLU 83 -4.909 -16.433 2.348 650 H GLU 84 H GLU 84 -3.093 -15.692 3.902 651 HA GLU 84 HA GLU 84 -2.885 -18.209 5.509 652 1HB GLU 84 1HB GLU 84 -1.162 -18.881 3.796 653 2HB GLU 84 2HB GLU 84 -2.827 -18.775 3.198 654 1HG GLU 84 1HG GLU 84 -1.165 -16.306 2.918 655 2HG GLU 84 2HG GLU 84 -0.790 -17.685 1.852 656 H VAL 85 H VAL 85 0.072 -17.484 4.196 657 HA VAL 85 HA VAL 85 1.021 -15.480 6.129 658 HB VAL 85 HB VAL 85 2.149 -18.354 5.934 659 1HG1 VAL 85 1HG1 VAL 85 3.686 -15.944 7.137 660 2HG1 VAL 85 2HG1 VAL 85 4.170 -17.654 7.262 661 3HG1 VAL 85 3HG1 VAL 85 4.154 -16.872 5.692 662 1HG2 VAL 85 1HG2 VAL 85 0.533 -17.994 7.854 663 2HG2 VAL 85 2HG2 VAL 85 2.165 -18.370 8.419 664 3HG2 VAL 85 3HG2 VAL 85 1.569 -16.692 8.485 Start of MODEL 14 1 1H VAL 2 1H VAL 2 -17.685 6.704 -0.877 2 2H VAL 2 2H VAL 2 -18.051 6.011 -2.365 3 3H VAL 2 3H VAL 2 -19.216 6.903 -1.543 4 HA VAL 2 HA VAL 2 -19.344 5.358 0.173 5 HB VAL 2 HB VAL 2 -20.735 5.075 -1.818 6 1HG1 VAL 2 1HG1 VAL 2 -18.985 4.411 -3.466 7 2HG1 VAL 2 2HG1 VAL 2 -18.776 2.887 -2.578 8 3HG1 VAL 2 3HG1 VAL 2 -20.324 3.238 -3.386 9 1HG2 VAL 2 1HG2 VAL 2 -21.029 3.730 0.230 10 2HG2 VAL 2 2HG2 VAL 2 -21.457 2.804 -1.230 11 3HG2 VAL 2 3HG2 VAL 2 -19.902 2.511 -0.419 12 H GLN 3 H GLN 3 -17.682 4.992 1.504 13 HA GLN 3 HA GLN 3 -15.468 3.342 0.456 14 1HB GLN 3 1HB GLN 3 -15.358 5.716 1.645 15 2HB GLN 3 2HB GLN 3 -15.411 4.738 3.128 16 1HG GLN 3 1HG GLN 3 -13.417 3.441 2.238 17 2HG GLN 3 2HG GLN 3 -13.463 4.410 0.813 18 1HE2 GLN 3 2HE2 GLN 3 -13.542 5.078 4.375 19 2HE2 GLN 3 1HE2 GLN 3 -12.370 6.376 4.282 20 H GLN 4 H GLN 4 -15.201 1.273 1.052 21 HA GLN 4 HA GLN 4 -16.274 0.574 3.747 22 1HB GLN 4 1HB GLN 4 -16.060 -1.423 1.484 23 2HB GLN 4 2HB GLN 4 -16.882 -1.633 3.032 24 1HG GLN 4 1HG GLN 4 -18.609 -0.011 2.312 25 2HG GLN 4 2HG GLN 4 -17.696 0.275 0.812 26 1HE2 GLN 4 2HE2 GLN 4 -19.665 -0.394 -0.309 27 2HE2 GLN 4 1HE2 GLN 4 -20.047 -2.098 -0.482 28 H LYS 5 H LYS 5 -14.886 -1.111 4.862 29 HA LYS 5 HA LYS 5 -12.337 -1.682 3.583 30 1HB LYS 5 1HB LYS 5 -11.090 -0.850 5.547 31 2HB LYS 5 2HB LYS 5 -11.846 0.451 4.615 32 1HG LYS 5 1HG LYS 5 -13.190 -0.749 7.046 33 2HG LYS 5 2HG LYS 5 -11.990 0.559 7.192 34 1HD LYS 5 1HD LYS 5 -14.502 0.686 5.485 35 2HD LYS 5 2HD LYS 5 -14.337 1.436 7.082 36 1HE LYS 5 1HE LYS 5 -12.530 2.017 4.696 37 2HE LYS 5 2HE LYS 5 -13.951 2.993 5.122 38 1HZ LYS 5 1HZ LYS 5 -11.616 2.553 6.859 39 2HZ LYS 5 2HZ LYS 5 -11.930 3.919 6.002 40 3HZ LYS 5 3HZ LYS 5 -12.935 3.469 7.226 41 H VAL 6 H VAL 6 -11.863 -3.731 4.043 42 HA VAL 6 HA VAL 6 -13.152 -4.959 6.441 43 HB VAL 6 HB VAL 6 -13.010 -7.128 5.164 44 1HG1 VAL 6 1HG1 VAL 6 -14.653 -4.884 3.923 45 2HG1 VAL 6 2HG1 VAL 6 -14.991 -6.621 3.748 46 3HG1 VAL 6 3HG1 VAL 6 -15.109 -5.845 5.351 47 1HG2 VAL 6 1HG2 VAL 6 -12.476 -5.262 2.808 48 2HG2 VAL 6 2HG2 VAL 6 -11.343 -6.473 3.455 49 3HG2 VAL 6 3HG2 VAL 6 -12.867 -6.994 2.692 50 H GLU 7 H GLU 7 -11.615 -5.559 7.985 51 HA GLU 7 HA GLU 7 -8.896 -5.036 7.078 52 1HB GLU 7 1HB GLU 7 -8.237 -5.144 9.410 53 2HB GLU 7 2HB GLU 7 -9.640 -4.074 9.246 54 1HG GLU 7 1HG GLU 7 -11.096 -5.720 10.209 55 2HG GLU 7 2HG GLU 7 -9.895 -7.017 9.974 56 H VAL 8 H VAL 8 -7.080 -6.260 7.883 57 HA VAL 8 HA VAL 8 -7.460 -9.181 7.850 58 HB VAL 8 HB VAL 8 -6.422 -9.462 5.804 59 1HG1 VAL 8 1HG2 VAL 8 -8.425 -8.023 5.367 60 2HG1 VAL 8 2HG2 VAL 8 -7.364 -6.600 5.360 61 3HG1 VAL 8 3HG2 VAL 8 -7.161 -7.868 4.123 62 1HG2 VAL 8 1HG1 VAL 8 -5.012 -6.798 6.166 63 2HG2 VAL 8 2HG1 VAL 8 -4.302 -8.412 6.397 64 3HG2 VAL 8 3HG1 VAL 8 -4.801 -7.891 4.774 65 H ARG 9 H ARG 9 -5.593 -10.222 8.873 66 HA ARG 9 HA ARG 9 -3.526 -8.309 9.844 67 1HB ARG 9 1HB ARG 9 -3.764 -10.141 11.323 68 2HB ARG 9 2HB ARG 9 -3.743 -11.345 9.993 69 1HG ARG 9 1HG ARG 9 -1.390 -9.550 10.537 70 2HG ARG 9 2HG ARG 9 -1.624 -11.029 11.448 71 1HD ARG 9 1HD ARG 9 -0.924 -10.714 8.561 72 2HD ARG 9 2HD ARG 9 -0.337 -11.910 9.723 73 HE ARG 9 HE ARG 9 -2.675 -12.014 7.967 74 1HH1 ARG 9 1HH2 ARG 9 -1.241 -13.393 10.870 75 2HH1 ARG 9 2HH2 ARG 9 -2.033 -14.939 10.715 76 1HH2 ARG 9 2HH1 ARG 9 -3.702 -14.077 7.691 77 2HH2 ARG 9 1HH1 ARG 9 -3.509 -15.289 8.919 78 H LEU 10 H LEU 10 -2.222 -7.489 8.352 79 HA LEU 10 HA LEU 10 -2.277 -8.521 5.684 80 1HB LEU 10 1HB LEU 10 -2.008 -6.169 6.115 81 2HB LEU 10 2HB LEU 10 -0.497 -6.439 7.014 82 HG LEU 10 HG LEU 10 0.710 -6.954 5.109 83 1HD1 LEU 10 1HD1 LEU 10 -0.809 -8.681 4.262 84 2HD1 LEU 10 2HD1 LEU 10 -1.918 -7.431 3.625 85 3HD1 LEU 10 3HD1 LEU 10 -0.274 -7.596 2.946 86 1HD2 LEU 10 1HD2 LEU 10 -0.014 -4.636 5.146 87 2HD2 LEU 10 2HD2 LEU 10 0.308 -5.237 3.512 88 3HD2 LEU 10 3HD2 LEU 10 -1.390 -5.033 4.065 89 H LYS 11 H LYS 11 -1.717 -10.713 5.964 90 HA LYS 11 HA LYS 11 0.821 -11.563 6.990 91 1HB LYS 11 1HB LYS 11 -0.686 -13.291 6.892 92 2HB LYS 11 2HB LYS 11 -1.430 -12.744 5.384 93 1HG LYS 11 1HG LYS 11 1.343 -13.973 5.418 94 2HG LYS 11 2HG LYS 11 -0.163 -14.923 5.296 95 1HD LYS 11 1HD LYS 11 0.784 -12.830 3.296 96 2HD LYS 11 2HD LYS 11 0.514 -14.574 3.049 97 1HE LYS 11 1HE LYS 11 -1.887 -14.261 3.632 98 2HE LYS 11 2HE LYS 11 -1.595 -12.506 3.772 99 1HZ LYS 11 1HZ LYS 11 -1.185 -14.067 1.323 100 2HZ LYS 11 2HZ LYS 11 -2.489 -13.118 1.634 101 3HZ LYS 11 3HZ LYS 11 -1.002 -12.431 1.500 102 H THR 12 H THR 12 -0.342 -10.697 3.757 103 HA THR 12 HA THR 12 1.931 -11.234 2.230 104 HB THR 12 HB THR 12 0.378 -8.645 1.922 105 HG1 THR 12 HG1 THR 12 -1.119 -10.384 2.175 106 1HG2 THR 12 1HG2 THR 12 0.795 -9.063 -0.459 107 2HG2 THR 12 2HG2 THR 12 2.331 -9.042 0.450 108 3HG2 THR 12 3HG2 THR 12 1.617 -10.584 -0.047 109 H GLY 13 H GLY 13 1.138 -8.438 4.253 110 1HA GLY 13 1HA GLY 13 2.310 -6.648 5.050 111 2HA GLY 13 2HA GLY 13 3.863 -7.455 4.639 112 H LEU 14 H LEU 14 3.912 -7.735 2.065 113 HA LEU 14 HA LEU 14 3.438 -6.864 -0.075 114 1HB LEU 14 1HB LEU 14 2.690 -4.407 1.487 115 2HB LEU 14 2HB LEU 14 3.295 -4.228 -0.164 116 HG LEU 14 HG LEU 14 1.505 -5.660 -1.036 117 1HD1 LEU 14 1HD2 LEU 14 0.696 -5.924 1.878 118 2HD1 LEU 14 2HD2 LEU 14 -0.308 -6.445 0.498 119 3HD1 LEU 14 3HD2 LEU 14 1.269 -7.223 0.807 120 1HD2 LEU 14 1HD1 LEU 14 0.472 -3.574 0.929 121 2HD2 LEU 14 2HD1 LEU 14 1.021 -3.262 -0.737 122 3HD2 LEU 14 3HD1 LEU 14 -0.437 -4.240 -0.447 123 H GLN 15 H GLN 15 5.379 -7.726 -0.021 124 HA GLN 15 HA GLN 15 7.623 -5.790 0.350 125 1HB GLN 15 1HB GLN 15 7.471 -8.736 1.050 126 2HB GLN 15 2HB GLN 15 8.971 -7.769 1.126 127 1HG GLN 15 1HG GLN 15 8.156 -6.405 2.852 128 2HG GLN 15 2HG GLN 15 6.472 -6.678 2.354 129 1HE2 GLN 15 2HE2 GLN 15 5.970 -6.999 4.668 130 2HE2 GLN 15 1HE2 GLN 15 6.120 -8.632 5.240 131 H ALA 16 H ALA 16 6.640 -8.843 -1.543 132 HA ALA 16 HA ALA 16 8.418 -7.575 -3.575 133 1HB ALA 16 1HB ALA 16 9.755 -9.132 -2.236 134 2HB ALA 16 2HB ALA 16 8.632 -10.451 -2.643 135 3HB ALA 16 3HB ALA 16 9.600 -9.679 -3.923 136 H ARG 17 H ARG 17 5.782 -9.945 -2.995 137 HA ARG 17 HA ARG 17 5.451 -9.798 -5.974 138 1HB ARG 17 1HB ARG 17 5.261 -12.462 -4.537 139 2HB ARG 17 2HB ARG 17 5.287 -12.135 -6.282 140 1HG ARG 17 1HG ARG 17 7.493 -12.833 -5.871 141 2HG ARG 17 2HG ARG 17 7.616 -11.060 -5.779 142 1HD ARG 17 1HD ARG 17 8.761 -11.872 -3.845 143 2HD ARG 17 2HD ARG 17 7.181 -11.320 -3.252 144 HE ARG 17 HE ARG 17 7.448 -14.175 -3.962 145 1HH1 ARG 17 1HH2 ARG 17 7.045 -11.733 -1.393 146 2HH1 ARG 17 2HH2 ARG 17 7.511 -12.830 -0.125 147 1HH2 ARG 17 2HH1 ARG 17 7.674 -15.666 -2.243 148 2HH2 ARG 17 1HH1 ARG 17 7.624 -15.129 -0.585 149 HA PRO 18 HA PRO 18 1.191 -11.675 -4.302 150 1HB PRO 18 1HB PRO 18 0.936 -11.576 -1.594 151 2HB PRO 18 2HB PRO 18 1.756 -12.965 -2.383 152 1HG PRO 18 1HG PRO 18 3.104 -10.410 -1.398 153 2HG PRO 18 2HG PRO 18 3.531 -11.994 -0.789 154 1HD PRO 18 1HD PRO 18 4.942 -11.124 -2.734 155 2HD PRO 18 2HD PRO 18 4.185 -12.715 -3.033 156 H ALA 19 H ALA 19 2.914 -9.283 -2.326 157 HA ALA 19 HA ALA 19 0.953 -7.389 -1.781 158 1HB ALA 19 1HB ALA 19 3.266 -7.695 -0.928 159 2HB ALA 19 2HB ALA 19 3.878 -7.148 -2.512 160 3HB ALA 19 3HB ALA 19 2.942 -6.016 -1.473 161 H ALA 20 H ALA 20 3.065 -7.843 -4.626 162 HA ALA 20 HA ALA 20 2.433 -5.291 -5.880 163 1HB ALA 20 1HB ALA 20 3.550 -7.900 -7.013 164 2HB ALA 20 2HB ALA 20 3.507 -6.333 -7.855 165 3HB ALA 20 3HB ALA 20 4.516 -6.533 -6.404 166 H LEU 21 H LEU 21 1.378 -8.662 -6.015 167 HA LEU 21 HA LEU 21 -0.636 -8.487 -8.004 168 1HB LEU 21 1HB LEU 21 0.370 -10.463 -6.593 169 2HB LEU 21 2HB LEU 21 -0.999 -10.146 -5.512 170 HG LEU 21 HG LEU 21 -1.173 -10.727 -8.506 171 1HD1 LEU 21 1HD1 LEU 21 -0.468 -12.685 -7.156 172 2HD1 LEU 21 2HD1 LEU 21 -1.865 -12.435 -6.083 173 3HD1 LEU 21 3HD1 LEU 21 -2.116 -12.893 -7.787 174 1HD2 LEU 21 1HD2 LEU 21 -3.326 -10.442 -6.364 175 2HD2 LEU 21 2HD2 LEU 21 -3.017 -9.300 -7.697 176 3HD2 LEU 21 3HD2 LEU 21 -3.610 -10.939 -8.050 177 H PHE 22 H PHE 22 -0.805 -8.065 -4.522 178 HA PHE 22 HA PHE 22 -3.421 -7.316 -3.886 179 1HB PHE 22 1HB PHE 22 -1.637 -7.731 -2.276 180 2HB PHE 22 2HB PHE 22 -0.673 -6.418 -2.953 181 HD1 PHE 22 HD1 PHE 22 -2.105 -7.241 -0.087 182 HD2 PHE 22 HD2 PHE 22 -2.182 -4.025 -2.928 183 HE1 PHE 22 HE1 PHE 22 -2.502 -5.624 1.752 184 HE2 PHE 22 HE2 PHE 22 -2.605 -2.404 -1.119 185 HZ PHE 22 HZ PHE 22 -2.795 -3.198 1.245 186 H VAL 23 H VAL 23 -0.716 -5.015 -4.364 187 HA VAL 23 HA VAL 23 -2.423 -2.757 -4.528 188 HB VAL 23 HB VAL 23 0.463 -3.256 -5.302 189 1HG1 VAL 23 1HG2 VAL 23 -1.038 -0.620 -5.101 190 2HG1 VAL 23 2HG2 VAL 23 0.719 -0.803 -5.299 191 3HG1 VAL 23 3HG2 VAL 23 -0.381 -1.321 -6.599 192 1HG2 VAL 23 1HG1 VAL 23 -0.955 -1.883 -2.960 193 2HG2 VAL 23 2HG1 VAL 23 -0.140 -3.461 -2.897 194 3HG2 VAL 23 3HG1 VAL 23 0.802 -1.984 -3.172 195 H GLN 24 H GLN 24 -1.259 -4.984 -7.028 196 HA GLN 24 HA GLN 24 -1.956 -3.534 -9.354 197 1HB GLN 24 1HB GLN 24 -0.474 -5.430 -9.212 198 2HB GLN 24 2HB GLN 24 -1.767 -6.463 -8.605 199 1HG GLN 24 1HG GLN 24 -1.997 -5.169 -11.339 200 2HG GLN 24 2HG GLN 24 -1.038 -6.648 -11.021 201 1HE2 GLN 24 2HE2 GLN 24 -2.813 -7.561 -8.818 202 2HE2 GLN 24 1HE2 GLN 24 -4.140 -8.257 -9.715 203 H GLU 25 H GLU 25 -3.840 -5.988 -7.528 204 HA GLU 25 HA GLU 25 -6.117 -5.504 -9.255 205 1HB GLU 25 1HB GLU 25 -7.250 -7.087 -7.525 206 2HB GLU 25 2HB GLU 25 -5.943 -7.738 -8.533 207 1HG GLU 25 1HG GLU 25 -4.319 -7.337 -6.709 208 2HG GLU 25 2HG GLU 25 -5.624 -6.726 -5.684 209 H ALA 26 H ALA 26 -5.244 -4.606 -5.933 210 HA ALA 26 HA ALA 26 -7.598 -3.310 -5.106 211 1HB ALA 26 1HB ALA 26 -4.690 -2.492 -4.821 212 2HB ALA 26 2HB ALA 26 -6.019 -1.900 -3.785 213 3HB ALA 26 3HB ALA 26 -5.552 -3.625 -3.741 214 H ASN 27 H ASN 27 -4.806 -2.162 -7.032 215 HA ASN 27 HA ASN 27 -5.750 0.395 -7.788 216 1HB ASN 27 1HB ASN 27 -3.746 -1.646 -8.642 217 2HB ASN 27 2HB ASN 27 -4.360 -0.663 -9.971 218 1HD2 ASN 27 2HD2 ASN 27 -2.072 -0.805 -7.560 219 2HD2 ASN 27 1HD2 ASN 27 -1.562 0.880 -7.466 220 H ARG 28 H ARG 28 -6.121 -2.831 -9.291 221 HA ARG 28 HA ARG 28 -7.322 -2.068 -11.744 222 1HB ARG 28 1HB ARG 28 -7.997 -4.443 -9.962 223 2HB ARG 28 2HB ARG 28 -8.486 -4.252 -11.660 224 1HG ARG 28 1HG ARG 28 -6.038 -4.013 -12.267 225 2HG ARG 28 2HG ARG 28 -5.630 -4.431 -10.600 226 1HD ARG 28 1HD ARG 28 -6.975 -6.149 -12.720 227 2HD ARG 28 2HD ARG 28 -5.430 -6.432 -11.900 228 HE ARG 28 HE ARG 28 -7.899 -6.395 -10.255 229 1HH1 ARG 28 2HH1 ARG 28 -5.268 -8.195 -11.741 230 2HH1 ARG 28 1HH1 ARG 28 -5.754 -9.754 -11.118 231 1HH2 ARG 28 1HH2 ARG 28 -8.470 -8.376 -9.262 232 2HH2 ARG 28 2HH2 ARG 28 -7.573 -9.834 -9.586 233 H PHE 29 H PHE 29 -8.772 -2.675 -8.527 234 HA PHE 29 HA PHE 29 -11.411 -1.747 -9.169 235 1HB PHE 29 1HB PHE 29 -9.810 -1.310 -6.647 236 2HB PHE 29 2HB PHE 29 -11.582 -1.354 -6.770 237 HD1 PHE 29 HD1 PHE 29 -9.040 -3.103 -5.421 238 HD2 PHE 29 HD2 PHE 29 -12.322 -3.739 -8.120 239 HE1 PHE 29 HE1 PHE 29 -9.129 -5.495 -4.739 240 HE2 PHE 29 HE2 PHE 29 -12.460 -6.110 -7.417 241 HZ PHE 29 HZ PHE 29 -10.883 -6.986 -5.685 242 H THR 30 H THR 30 -11.663 0.225 -10.149 243 HA THR 30 HA THR 30 -9.637 2.220 -9.916 244 HB THR 30 HB THR 30 -11.734 1.673 -11.623 245 HG1 THR 30 HG1 THR 30 -9.711 2.573 -12.111 246 1HG2 THR 30 1HG2 THR 30 -12.966 3.793 -11.874 247 2HG2 THR 30 2HG2 THR 30 -13.331 3.015 -10.315 248 3HG2 THR 30 3HG2 THR 30 -12.219 4.406 -10.379 249 H SER 31 H SER 31 -12.265 1.465 -7.851 250 HA SER 31 HA SER 31 -12.976 3.611 -6.444 251 1HB SER 31 1HB SER 31 -11.837 1.004 -5.367 252 2HB SER 31 2HB SER 31 -13.154 1.951 -4.640 253 HG SER 31 HG SER 31 -13.532 -0.032 -6.195 254 H ASP 32 H ASP 32 -12.293 4.695 -4.581 255 HA ASP 32 HA ASP 32 -9.475 5.239 -4.317 256 1HB ASP 32 1HB ASP 32 -11.575 6.691 -3.771 257 2HB ASP 32 2HB ASP 32 -11.601 5.754 -2.253 258 H VAL 33 H VAL 33 -8.403 3.336 -3.835 259 HA VAL 33 HA VAL 33 -9.452 1.632 -1.670 260 HB VAL 33 HB VAL 33 -8.006 -0.099 -2.476 261 1HG1 VAL 33 1HG2 VAL 33 -9.240 1.543 -4.713 262 2HG1 VAL 33 2HG2 VAL 33 -8.779 -0.174 -4.864 263 3HG1 VAL 33 3HG2 VAL 33 -10.074 0.320 -3.731 264 1HG2 VAL 33 1HG1 VAL 33 -6.010 1.321 -2.898 265 2HG2 VAL 33 2HG1 VAL 33 -6.392 0.259 -4.283 266 3HG2 VAL 33 3HG1 VAL 33 -6.812 1.987 -4.345 267 H PHE 34 H PHE 34 -8.258 0.831 0.033 268 HA PHE 34 HA PHE 34 -5.734 2.202 0.670 269 1HB PHE 34 1HB PHE 34 -8.064 2.483 2.596 270 2HB PHE 34 2HB PHE 34 -6.431 3.149 2.726 271 HD1 PHE 34 HD1 PHE 34 -5.692 5.012 1.292 272 HD2 PHE 34 HD2 PHE 34 -9.761 3.597 1.228 273 HE1 PHE 34 HE1 PHE 34 -6.439 7.190 0.346 274 HE2 PHE 34 HE2 PHE 34 -10.492 5.751 0.239 275 HZ PHE 34 HZ PHE 34 -8.848 7.569 -0.134 276 H LEU 35 H LEU 35 -4.877 1.570 2.801 277 HA LEU 35 HA LEU 35 -5.964 -0.926 3.929 278 1HB LEU 35 1HB LEU 35 -4.143 -1.555 2.314 279 2HB LEU 35 2HB LEU 35 -3.009 -0.555 3.264 280 HG LEU 35 HG LEU 35 -3.528 -1.915 5.277 281 1HD1 LEU 35 1HD2 LEU 35 -5.876 -2.481 4.616 282 2HD1 LEU 35 2HD2 LEU 35 -5.235 -3.574 3.366 283 3HD1 LEU 35 3HD2 LEU 35 -4.937 -3.915 5.085 284 1HD2 LEU 35 1HD1 LEU 35 -1.681 -2.635 3.780 285 2HD2 LEU 35 2HD1 LEU 35 -2.488 -4.023 4.547 286 3HD2 LEU 35 3HD1 LEU 35 -2.835 -3.623 2.849 287 H GLU 36 H GLU 36 -6.095 -0.639 6.051 288 HA GLU 36 HA GLU 36 -4.804 1.793 7.238 289 1HB GLU 36 1HB GLU 36 -7.237 0.366 8.270 290 2HB GLU 36 2HB GLU 36 -6.776 2.066 8.496 291 1HG GLU 36 1HG GLU 36 -7.246 2.496 6.105 292 2HG GLU 36 2HG GLU 36 -7.652 0.782 5.877 293 H LYS 37 H LYS 37 -2.902 0.688 8.207 294 HA LYS 37 HA LYS 37 -2.872 -1.852 9.463 295 1HB LYS 37 1HB LYS 37 -1.262 0.680 9.399 296 2HB LYS 37 2HB LYS 37 -0.922 -0.512 10.656 297 1HG LYS 37 1HG LYS 37 -0.586 -2.265 8.922 298 2HG LYS 37 2HG LYS 37 -0.937 -1.071 7.662 299 1HD LYS 37 1HD LYS 37 1.459 -1.219 7.826 300 2HD LYS 37 2HD LYS 37 1.033 0.299 8.637 301 1HE LYS 37 1HE LYS 37 1.380 -2.351 10.130 302 2HE LYS 37 2HE LYS 37 2.723 -1.240 9.807 303 1HZ LYS 37 1HZ LYS 37 1.540 0.452 11.007 304 2HZ LYS 37 2HZ LYS 37 0.305 -0.591 11.339 305 3HZ LYS 37 3HZ LYS 37 1.805 -0.876 11.947 306 H ASP 38 H ASP 38 -4.720 -2.045 10.850 307 HA ASP 38 HA ASP 38 -5.975 -1.769 12.703 308 1HB ASP 38 1HB ASP 38 -3.288 -0.921 13.792 309 2HB ASP 38 2HB ASP 38 -4.736 -1.119 14.803 310 H GLY 39 H GLY 39 -5.764 0.388 10.737 311 1HA GLY 39 1HA GLY 39 -7.192 2.460 11.203 312 2HA GLY 39 2HA GLY 39 -6.080 2.688 12.584 313 H LYS 40 H LYS 40 -3.698 1.760 10.914 314 HA LYS 40 HA LYS 40 -3.008 4.385 9.940 315 1HB LYS 40 1HB LYS 40 -1.467 1.785 9.684 316 2HB LYS 40 2HB LYS 40 -0.817 3.439 9.603 317 1HG LYS 40 1HG LYS 40 -1.970 1.912 11.965 318 2HG LYS 40 2HG LYS 40 -0.375 2.695 11.880 319 1HD LYS 40 1HD LYS 40 -1.396 4.908 12.023 320 2HD LYS 40 2HD LYS 40 -2.991 4.232 11.617 321 1HE LYS 40 1HE LYS 40 -1.489 3.779 14.199 322 2HE LYS 40 2HE LYS 40 -2.970 4.739 13.958 323 1HZ LYS 40 1HZ LYS 40 -2.727 1.831 13.524 324 2HZ LYS 40 2HZ LYS 40 -3.453 2.553 14.814 325 3HZ LYS 40 3HZ LYS 40 -4.087 2.726 13.311 326 H LYS 41 H LYS 41 -4.795 4.400 8.442 327 HA LYS 41 HA LYS 41 -4.672 2.719 6.078 328 1HB LYS 41 1HB LYS 41 -6.800 3.381 6.973 329 2HB LYS 41 2HB LYS 41 -6.309 5.074 6.967 330 1HG LYS 41 1HG LYS 41 -6.098 4.835 4.402 331 2HG LYS 41 2HG LYS 41 -7.006 3.319 4.572 332 1HD LYS 41 1HD LYS 41 -8.940 4.439 5.278 333 2HD LYS 41 2HD LYS 41 -8.028 5.796 5.968 334 1HE LYS 41 1HE LYS 41 -7.547 6.745 3.833 335 2HE LYS 41 2HE LYS 41 -8.064 5.292 2.972 336 1HZ LYS 41 1HZ LYS 41 -9.844 7.039 4.523 337 2HZ LYS 41 2HZ LYS 41 -9.703 7.016 2.880 338 3HZ LYS 41 3HZ LYS 41 -10.285 5.698 3.663 339 H VAL 42 H VAL 42 -4.037 3.073 4.160 340 HA VAL 42 HA VAL 42 -3.225 5.704 3.120 341 HB VAL 42 HB VAL 42 -1.177 4.881 4.104 342 1HG1 VAL 42 1HG2 VAL 42 -1.950 2.524 4.368 343 2HG1 VAL 42 2HG2 VAL 42 -1.704 2.257 2.626 344 3HG1 VAL 42 3HG2 VAL 42 -0.310 2.607 3.686 345 1HG2 VAL 42 1HG1 VAL 42 -0.851 5.797 1.860 346 2HG2 VAL 42 2HG1 VAL 42 0.306 4.486 2.193 347 3HG2 VAL 42 3HG1 VAL 42 -1.114 4.172 1.167 348 H ASN 43 H ASN 43 -2.706 5.544 0.828 349 HA ASN 43 HA ASN 43 -4.921 4.218 -0.513 350 1HB ASN 43 1HB ASN 43 -4.066 6.348 -1.342 351 2HB ASN 43 2HB ASN 43 -2.474 5.619 -1.639 352 1HD2 ASN 43 2HD2 ASN 43 -5.862 4.416 -2.377 353 2HD2 ASN 43 1HD2 ASN 43 -5.572 4.422 -4.108 354 H ALA 44 H ALA 44 -5.003 2.273 -0.499 355 HA ALA 44 HA ALA 44 -3.149 0.277 -0.130 356 1HB ALA 44 1HB ALA 44 -5.624 -0.031 -0.054 357 2HB ALA 44 2HB ALA 44 -5.685 0.132 -1.822 358 3HB ALA 44 3HB ALA 44 -4.858 -1.259 -1.090 359 H LYS 45 H LYS 45 -3.972 1.825 -3.161 360 HA LYS 45 HA LYS 45 -2.512 -0.164 -4.744 361 1HB LYS 45 1HB LYS 45 -3.408 1.149 -6.617 362 2HB LYS 45 2HB LYS 45 -4.692 0.687 -5.465 363 1HG LYS 45 1HG LYS 45 -4.603 2.923 -4.458 364 2HG LYS 45 2HG LYS 45 -3.200 3.344 -5.449 365 1HD LYS 45 1HD LYS 45 -5.206 4.239 -6.550 366 2HD LYS 45 2HD LYS 45 -4.532 2.901 -7.518 367 1HE LYS 45 1HE LYS 45 -6.132 1.341 -6.263 368 2HE LYS 45 2HE LYS 45 -6.943 2.791 -5.647 369 1HZ LYS 45 1HZ LYS 45 -6.626 2.068 -8.481 370 2HZ LYS 45 2HZ LYS 45 -8.000 1.929 -7.592 371 3HZ LYS 45 3HZ LYS 45 -7.376 3.424 -7.911 372 H SER 46 H SER 46 -1.596 2.730 -3.090 373 HA SER 46 HA SER 46 0.368 3.356 -5.219 374 1HB SER 46 1HB SER 46 -0.479 4.785 -2.685 375 2HB SER 46 2HB SER 46 1.039 5.185 -3.517 376 HG SER 46 HG SER 46 -1.570 5.295 -4.609 377 H ILE 47 H ILE 47 2.485 3.278 -5.004 378 HA ILE 47 HA ILE 47 3.954 1.354 -3.904 379 HB ILE 47 HB ILE 47 4.941 2.903 -5.356 380 1HG1 ILE 47 1HG1 ILE 47 6.474 1.949 -3.537 381 2HG1 ILE 47 2HG1 ILE 47 7.044 3.368 -4.448 382 1HG2 ILE 47 1HG2 ILE 47 3.641 4.914 -4.770 383 2HG2 ILE 47 2HG2 ILE 47 4.615 5.098 -3.289 384 3HG2 ILE 47 3HG2 ILE 47 5.386 5.247 -4.882 385 1HD1 ILE 47 1HD1 ILE 47 6.310 4.863 -2.604 386 2HD1 ILE 47 2HD1 ILE 47 5.840 3.439 -1.658 387 3HD1 ILE 47 3HD1 ILE 47 7.547 3.696 -2.081 388 H MET 48 H MET 48 3.638 4.484 -2.150 389 HA MET 48 HA MET 48 4.843 3.474 0.199 390 1HB MET 48 1HB MET 48 4.190 5.550 1.201 391 2HB MET 48 2HB MET 48 4.575 5.891 -0.499 392 1HG MET 48 1HG MET 48 2.162 5.737 -1.054 393 2HG MET 48 2HG MET 48 1.802 5.400 0.644 394 1HE MET 48 1HE MET 48 4.043 7.398 1.878 395 2HE MET 48 2HE MET 48 3.040 8.822 2.256 396 3HE MET 48 3HE MET 48 2.431 7.185 2.612 397 H GLY 49 H GLY 49 1.548 3.080 -0.951 398 1HA GLY 49 1HA GLY 49 0.333 2.647 1.662 399 2HA GLY 49 2HA GLY 49 -0.357 2.273 0.059 400 H LEU 50 H LEU 50 1.522 0.716 -1.110 401 HA LEU 50 HA LEU 50 1.176 -1.859 0.097 402 1HB LEU 50 1HB LEU 50 1.248 -1.301 -2.309 403 2HB LEU 50 2HB LEU 50 2.936 -0.802 -2.160 404 HG LEU 50 HG LEU 50 1.897 -3.643 -1.768 405 1HD1 LEU 50 1HD1 LEU 50 1.775 -2.749 -4.128 406 2HD1 LEU 50 2HD1 LEU 50 3.509 -2.367 -4.022 407 3HD1 LEU 50 3HD1 LEU 50 2.965 -4.058 -3.948 408 1HD2 LEU 50 1HD2 LEU 50 4.724 -2.542 -2.052 409 2HD2 LEU 50 2HD2 LEU 50 4.027 -3.207 -0.550 410 3HD2 LEU 50 3HD2 LEU 50 4.269 -4.266 -1.962 411 H MET 51 H MET 51 4.192 -0.191 -0.804 412 HA MET 51 HA MET 51 5.805 -1.999 0.724 413 1HB MET 51 1HB MET 51 6.486 -0.987 -1.465 414 2HB MET 51 2HB MET 51 6.449 0.613 -0.701 415 1HG MET 51 1HG MET 51 8.128 -0.365 1.003 416 2HG MET 51 2HG MET 51 8.349 -1.677 -0.165 417 1HE MET 51 1HE MET 51 8.713 2.066 0.681 418 2HE MET 51 2HE MET 51 9.375 2.775 -0.810 419 3HE MET 51 3HE MET 51 7.690 2.194 -0.767 420 H SER 52 H SER 52 4.691 1.427 1.275 421 HA SER 52 HA SER 52 6.638 1.635 3.419 422 1HB SER 52 1HB SER 52 4.332 3.476 2.758 423 2HB SER 52 2HB SER 52 5.735 3.848 3.793 424 HG SER 52 HG SER 52 6.060 4.641 1.667 425 H LEU 53 H LEU 53 3.009 1.948 3.527 426 HA LEU 53 HA LEU 53 3.147 1.355 6.376 427 1HB LEU 53 1HB LEU 53 0.813 1.738 4.478 428 2HB LEU 53 2HB LEU 53 0.689 1.582 6.241 429 HG LEU 53 HG LEU 53 2.235 3.588 6.467 430 1HD1 LEU 53 1HD2 LEU 53 1.480 3.871 3.517 431 2HD1 LEU 53 2HD2 LEU 53 2.139 5.179 4.528 432 3HD1 LEU 53 3HD2 LEU 53 3.131 3.744 4.170 433 1HD2 LEU 53 1HD1 LEU 53 -0.206 3.529 6.787 434 2HD2 LEU 53 2HD1 LEU 53 0.332 5.089 6.080 435 3HD2 LEU 53 3HD1 LEU 53 -0.415 3.843 5.038 436 H ALA 54 H ALA 54 1.284 -0.139 3.715 437 HA ALA 54 HA ALA 54 0.128 -2.308 4.902 438 1HB ALA 54 1HB ALA 54 -0.127 -1.634 2.486 439 2HB ALA 54 2HB ALA 54 1.496 -2.251 2.170 440 3HB ALA 54 3HB ALA 54 0.212 -3.371 2.654 441 H VAL 55 H VAL 55 3.310 -2.315 3.422 442 HA VAL 55 HA VAL 55 4.319 -4.645 3.545 443 HB VAL 55 HB VAL 55 5.523 -2.487 3.108 444 1HG1 VAL 55 1HG1 VAL 55 6.131 -2.683 6.089 445 2HG1 VAL 55 2HG1 VAL 55 6.917 -1.573 4.938 446 3HG1 VAL 55 3HG1 VAL 55 5.184 -1.402 5.291 447 1HG2 VAL 55 1HG2 VAL 55 6.988 -4.643 4.676 448 2HG2 VAL 55 2HG2 VAL 55 6.640 -4.647 2.927 449 3HG2 VAL 55 3HG2 VAL 55 7.756 -3.436 3.610 450 H SER 56 H SER 56 3.617 -3.118 6.583 451 HA SER 56 HA SER 56 5.101 -4.765 8.341 452 1HB SER 56 1HB SER 56 2.432 -3.408 8.864 453 2HB SER 56 2HB SER 56 3.734 -3.688 10.027 454 HG SER 56 HG SER 56 3.608 -1.786 7.896 455 H THR 57 H THR 57 4.591 -6.846 7.135 456 HA THR 57 HA THR 57 2.353 -8.349 7.139 457 HB THR 57 HB THR 57 5.098 -9.147 8.159 458 HG1 THR 57 HG1 THR 57 3.979 -9.671 5.614 459 1HG2 THR 57 1HG2 THR 57 4.498 -11.445 7.517 460 2HG2 THR 57 2HG2 THR 57 3.414 -10.833 8.789 461 3HG2 THR 57 3HG2 THR 57 2.854 -10.914 7.097 462 H GLY 58 H GLY 58 0.779 -8.757 8.520 463 1HA GLY 58 1HA GLY 58 0.171 -9.997 10.583 464 2HA GLY 58 2HA GLY 58 1.606 -9.301 11.352 465 H THR 59 H THR 59 0.544 -6.663 9.842 466 HA THR 59 HA THR 59 -0.715 -5.660 12.282 467 HB THR 59 HB THR 59 -0.549 -4.318 9.547 468 HG1 THR 59 HG1 THR 59 1.527 -4.922 10.298 469 1HG2 THR 59 1HG2 THR 59 -0.614 -2.234 10.852 470 2HG2 THR 59 2HG2 THR 59 -2.046 -3.232 11.219 471 3HG2 THR 59 3HG2 THR 59 -0.689 -3.169 12.365 472 H GLU 60 H GLU 60 -2.984 -5.313 12.605 473 HA GLU 60 HA GLU 60 -4.658 -6.746 10.640 474 1HB GLU 60 1HB GLU 60 -5.501 -5.412 13.242 475 2HB GLU 60 2HB GLU 60 -6.442 -6.538 12.212 476 1HG GLU 60 1HG GLU 60 -4.827 -8.324 12.600 477 2HG GLU 60 2HG GLU 60 -3.825 -7.244 13.593 478 H VAL 61 H VAL 61 -4.275 -5.442 8.949 479 HA VAL 61 HA VAL 61 -5.008 -2.579 9.096 480 HB VAL 61 HB VAL 61 -3.810 -2.352 7.011 481 1HG1 VAL 61 1HG1 VAL 61 -2.463 -2.611 9.160 482 2HG1 VAL 61 2HG1 VAL 61 -2.322 -4.341 8.792 483 3HG1 VAL 61 3HG1 VAL 61 -1.573 -3.141 7.713 484 1HG2 VAL 61 1HG2 VAL 61 -3.417 -5.369 7.160 485 2HG2 VAL 61 2HG2 VAL 61 -4.409 -4.518 5.934 486 3HG2 VAL 61 3HG2 VAL 61 -2.640 -4.262 5.999 487 H THR 62 H THR 62 -6.792 -1.756 8.255 488 HA THR 62 HA THR 62 -8.686 -3.710 7.106 489 HB THR 62 HB THR 62 -9.251 -0.797 7.792 490 HG1 THR 62 HG1 THR 62 -8.519 -2.161 9.592 491 1HG2 THR 62 1HG2 THR 62 -11.577 -1.668 7.921 492 2HG2 THR 62 2HG2 THR 62 -10.902 -1.919 6.304 493 3HG2 THR 62 3HG2 THR 62 -10.995 -3.279 7.450 494 H LEU 63 H LEU 63 -9.054 -3.954 4.979 495 HA LEU 63 HA LEU 63 -7.689 -2.037 3.222 496 1HB LEU 63 1HB LEU 63 -7.312 -4.509 3.096 497 2HB LEU 63 2HB LEU 63 -8.978 -4.688 2.483 498 HG LEU 63 HG LEU 63 -7.257 -2.568 1.242 499 1HD1 LEU 63 1HD2 LEU 63 -6.814 -5.541 0.776 500 2HD1 LEU 63 2HD2 LEU 63 -6.125 -4.227 -0.211 501 3HD1 LEU 63 3HD2 LEU 63 -5.658 -4.395 1.497 502 1HD2 LEU 63 1HD1 LEU 63 -9.154 -4.696 0.149 503 2HD2 LEU 63 2HD1 LEU 63 -9.566 -2.997 0.479 504 3HD2 LEU 63 3HD1 LEU 63 -8.403 -3.392 -0.806 505 H ILE 64 H ILE 64 -8.721 -0.489 2.342 506 HA ILE 64 HA ILE 64 -11.688 -0.417 2.332 507 HB ILE 64 HB ILE 64 -9.628 1.799 1.945 508 1HG1 ILE 64 1HG1 ILE 64 -11.189 1.129 4.458 509 2HG1 ILE 64 2HG1 ILE 64 -9.436 0.885 4.227 510 1HG2 ILE 64 1HG2 ILE 64 -12.610 1.830 2.549 511 2HG2 ILE 64 2HG2 ILE 64 -11.575 3.280 2.424 512 3HG2 ILE 64 3HG2 ILE 64 -11.852 2.251 0.998 513 1HD1 ILE 64 1HD1 ILE 64 -9.257 3.355 3.688 514 2HD1 ILE 64 2HD1 ILE 64 -10.976 3.519 4.124 515 3HD1 ILE 64 3HD1 ILE 64 -9.787 3.028 5.356 516 H ALA 65 H ALA 65 -12.787 0.384 0.535 517 HA ALA 65 HA ALA 65 -11.340 1.236 -1.809 518 1HB ALA 65 1HB ALA 65 -13.298 -1.104 -1.994 519 2HB ALA 65 2HB ALA 65 -12.610 -0.209 -3.363 520 3HB ALA 65 3HB ALA 65 -11.547 -1.178 -2.316 521 H GLN 66 H GLN 66 -12.438 2.965 -2.473 522 HA GLN 66 HA GLN 66 -15.348 3.171 -1.938 523 1HB GLN 66 1HB GLN 66 -14.531 3.932 -0.019 524 2HB GLN 66 2HB GLN 66 -13.090 4.684 -0.601 525 1HG GLN 66 1HG GLN 66 -15.821 5.755 -1.329 526 2HG GLN 66 2HG GLN 66 -15.170 6.008 0.307 527 1HE2 GLN 66 2HE2 GLN 66 -12.570 6.613 0.111 528 2HE2 GLN 66 1HE2 GLN 66 -12.248 7.909 -1.015 529 H GLY 67 H GLY 67 -14.864 2.509 -4.190 530 1HA GLY 67 1HA GLY 67 -15.189 4.852 -5.927 531 2HA GLY 67 2HA GLY 67 -13.909 3.692 -6.296 532 H GLU 68 H GLU 68 -15.215 3.357 -8.266 533 HA GLU 68 HA GLU 68 -17.736 2.486 -8.598 534 1HB GLU 68 1HB GLU 68 -16.884 1.119 -10.503 535 2HB GLU 68 2HB GLU 68 -16.166 2.741 -10.456 536 1HG GLU 68 1HG GLU 68 -14.138 1.824 -9.382 537 2HG GLU 68 2HG GLU 68 -14.906 0.230 -9.276 538 H ASP 69 H ASP 69 -15.138 0.217 -7.341 539 HA ASP 69 HA ASP 69 -17.409 -1.623 -6.953 540 1HB ASP 69 1HB ASP 69 -15.671 -3.486 -7.104 541 2HB ASP 69 2HB ASP 69 -16.161 -2.836 -8.658 542 H GLU 70 H GLU 70 -16.395 0.401 -5.193 543 HA GLU 70 HA GLU 70 -14.467 -0.220 -3.488 544 1HB GLU 70 1HB GLU 70 -16.039 0.773 -1.671 545 2HB GLU 70 2HB GLU 70 -15.466 1.661 -3.080 546 1HG GLU 70 1HG GLU 70 -17.630 2.358 -2.886 547 2HG GLU 70 2HG GLU 70 -17.610 1.250 -4.271 548 H GLN 71 H GLN 71 -17.732 -1.557 -2.775 549 HA GLN 71 HA GLN 71 -17.169 -3.177 -0.651 550 1HB GLN 71 1HB GLN 71 -19.281 -2.749 -2.223 551 2HB GLN 71 2HB GLN 71 -18.735 -4.241 -3.005 552 1HG GLN 71 1HG GLN 71 -19.633 -3.856 -0.120 553 2HG GLN 71 2HG GLN 71 -20.427 -4.827 -1.381 554 1HE2 GLN 71 2HE2 GLN 71 -17.799 -4.532 0.889 555 2HE2 GLN 71 1HE2 GLN 71 -17.127 -6.152 0.690 556 H GLU 72 H GLU 72 -16.868 -4.142 -4.112 557 HA GLU 72 HA GLU 72 -15.914 -6.777 -3.501 558 1HB GLU 72 1HB GLU 72 -17.087 -6.296 -5.633 559 2HB GLU 72 2HB GLU 72 -16.013 -4.910 -5.920 560 1HG GLU 72 1HG GLU 72 -14.100 -6.569 -6.055 561 2HG GLU 72 2HG GLU 72 -15.356 -7.824 -6.260 562 H ALA 73 H ALA 73 -14.450 -3.645 -4.248 563 HA ALA 73 HA ALA 73 -11.808 -4.383 -4.966 564 1HB ALA 73 1HB ALA 73 -13.158 -1.974 -3.686 565 2HB ALA 73 2HB ALA 73 -11.558 -1.933 -4.494 566 3HB ALA 73 3HB ALA 73 -13.043 -2.308 -5.416 567 H LEU 74 H LEU 74 -13.236 -3.216 -1.924 568 HA LEU 74 HA LEU 74 -10.886 -3.634 -0.335 569 1HB LEU 74 1HB LEU 74 -12.526 -3.326 1.579 570 2HB LEU 74 2HB LEU 74 -12.445 -2.044 0.348 571 HG LEU 74 HG LEU 74 -14.414 -3.595 -0.702 572 1HD1 LEU 74 1HD1 LEU 74 -14.838 -3.459 2.307 573 2HD1 LEU 74 2HD1 LEU 74 -16.041 -3.942 1.085 574 3HD1 LEU 74 3HD1 LEU 74 -14.603 -4.952 1.349 575 1HD2 LEU 74 1HD2 LEU 74 -14.462 -1.165 1.125 576 2HD2 LEU 74 2HD2 LEU 74 -14.334 -1.193 -0.646 577 3HD2 LEU 74 3HD2 LEU 74 -15.842 -1.706 0.126 578 H GLU 75 H GLU 75 -13.806 -5.654 -0.962 579 HA GLU 75 HA GLU 75 -13.167 -7.785 0.733 580 1HB GLU 75 1HB GLU 75 -14.419 -7.820 -2.049 581 2HB GLU 75 2HB GLU 75 -14.374 -9.212 -0.943 582 1HG GLU 75 1HG GLU 75 -15.740 -6.564 -0.425 583 2HG GLU 75 2HG GLU 75 -16.542 -8.109 -0.779 584 H LYS 76 H LYS 76 -12.287 -7.640 -2.780 585 HA LYS 76 HA LYS 76 -11.030 -10.177 -2.715 586 1HB LYS 76 1HB LYS 76 -10.135 -7.944 -4.556 587 2HB LYS 76 2HB LYS 76 -10.135 -9.698 -4.839 588 1HG LYS 76 1HG LYS 76 -12.742 -9.430 -4.400 589 2HG LYS 76 2HG LYS 76 -12.441 -7.753 -4.863 590 1HD LYS 76 1HD LYS 76 -12.058 -10.311 -6.481 591 2HD LYS 76 2HD LYS 76 -13.101 -8.930 -6.853 592 1HE LYS 76 1HE LYS 76 -11.016 -7.555 -7.243 593 2HE LYS 76 2HE LYS 76 -10.050 -9.014 -6.949 594 1HZ LYS 76 1HZ LYS 76 -11.320 -10.020 -8.789 595 2HZ LYS 76 2HZ LYS 76 -12.024 -8.560 -9.079 596 3HZ LYS 76 3HZ LYS 76 -10.399 -8.735 -9.259 597 H LEU 77 H LEU 77 -9.575 -6.915 -2.444 598 HA LEU 77 HA LEU 77 -6.932 -7.836 -2.082 599 1HB LEU 77 1HB LEU 77 -8.505 -5.357 -1.795 600 2HB LEU 77 2HB LEU 77 -6.997 -5.448 -0.829 601 HG LEU 77 HG LEU 77 -6.833 -4.545 -3.301 602 1HD1 LEU 77 1HD1 LEU 77 -5.091 -6.622 -1.965 603 2HD1 LEU 77 2HD1 LEU 77 -4.542 -5.457 -3.208 604 3HD1 LEU 77 3HD1 LEU 77 -5.102 -4.869 -1.613 605 1HD2 LEU 77 1HD2 LEU 77 -6.604 -7.588 -3.570 606 2HD2 LEU 77 2HD2 LEU 77 -7.751 -6.552 -4.463 607 3HD2 LEU 77 3HD2 LEU 77 -5.996 -6.414 -4.748 608 H ALA 78 H ALA 78 -9.302 -6.776 0.541 609 HA ALA 78 HA ALA 78 -7.433 -7.465 2.583 610 1HB ALA 78 1HB ALA 78 -9.372 -5.969 2.937 611 2HB ALA 78 2HB ALA 78 -10.459 -7.370 2.747 612 3HB ALA 78 3HB ALA 78 -9.313 -7.299 4.105 613 H ALA 79 H ALA 79 -9.761 -9.413 0.753 614 HA ALA 79 HA ALA 79 -9.764 -11.735 2.394 615 1HB ALA 79 1HB ALA 79 -11.206 -11.231 0.361 616 2HB ALA 79 2HB ALA 79 -9.751 -11.514 -0.642 617 3HB ALA 79 3HB ALA 79 -10.447 -12.848 0.323 618 H TYR 80 H TYR 80 -7.740 -10.720 -0.406 619 HA TYR 80 HA TYR 80 -6.104 -13.056 -0.407 620 1HB TYR 80 1HB TYR 80 -6.593 -11.579 -2.269 621 2HB TYR 80 2HB TYR 80 -5.739 -10.249 -1.485 622 HD1 TYR 80 HD1 TYR 80 -4.801 -13.860 -1.980 623 HD2 TYR 80 HD2 TYR 80 -3.782 -9.731 -2.660 624 HE1 TYR 80 HE1 TYR 80 -2.622 -14.557 -2.916 625 HE2 TYR 80 HE2 TYR 80 -1.570 -10.433 -3.579 626 HH TYR 80 HH TYR 80 -0.702 -13.877 -3.919 627 H VAL 81 H VAL 81 -5.368 -9.743 0.630 628 HA VAL 81 HA VAL 81 -2.759 -9.807 1.317 629 HB VAL 81 HB VAL 81 -3.328 -8.034 2.980 630 1HG1 VAL 81 1HG1 VAL 81 -3.423 -7.567 0.526 631 2HG1 VAL 81 2HG1 VAL 81 -5.141 -7.993 0.540 632 3HG1 VAL 81 3HG1 VAL 81 -4.580 -6.577 1.458 633 1HG2 VAL 81 1HG2 VAL 81 -6.165 -9.049 2.477 634 2HG2 VAL 81 2HG2 VAL 81 -5.272 -9.142 4.006 635 3HG2 VAL 81 3HG2 VAL 81 -5.766 -7.558 3.367 636 H GLN 82 H GLN 82 -5.315 -11.143 3.389 637 HA GLN 82 HA GLN 82 -3.293 -11.694 5.512 638 1HB GLN 82 1HB GLN 82 -5.165 -11.561 6.980 639 2HB GLN 82 2HB GLN 82 -5.330 -10.209 5.856 640 1HG GLN 82 1HG GLN 82 -6.976 -11.592 4.525 641 2HG GLN 82 2HG GLN 82 -6.755 -12.893 5.687 642 1HE2 GLN 82 2HE2 GLN 82 -8.499 -10.167 4.985 643 2HE2 GLN 82 1HE2 GLN 82 -9.217 -9.763 6.555 644 H GLU 83 H GLU 83 -4.588 -13.296 2.950 645 HA GLU 83 HA GLU 83 -5.972 -15.426 4.300 646 1HB GLU 83 1HB GLU 83 -6.580 -14.201 2.264 647 2HB GLU 83 2HB GLU 83 -5.248 -14.990 1.377 648 1HG GLU 83 1HG GLU 83 -6.291 -17.202 1.797 649 2HG GLU 83 2HG GLU 83 -7.611 -16.406 2.693 650 H GLU 84 H GLU 84 -3.120 -15.547 1.988 651 HA GLU 84 HA GLU 84 -2.616 -18.168 3.261 652 1HB GLU 84 1HB GLU 84 -1.177 -18.614 1.331 653 2HB GLU 84 2HB GLU 84 -2.819 -18.191 0.827 654 1HG GLU 84 1HG GLU 84 -0.810 -15.965 0.967 655 2HG GLU 84 2HG GLU 84 -0.654 -17.151 -0.347 656 H VAL 85 H VAL 85 0.251 -17.385 1.965 657 HA VAL 85 HA VAL 85 1.331 -15.598 4.051 658 HB VAL 85 HB VAL 85 1.522 -17.879 5.146 659 1HG1 VAL 85 1HG1 VAL 85 3.211 -18.784 2.708 660 2HG1 VAL 85 2HG1 VAL 85 3.054 -19.664 4.249 661 3HG1 VAL 85 3HG1 VAL 85 1.650 -19.471 3.216 662 1HG2 VAL 85 1HG2 VAL 85 3.391 -16.212 5.538 663 2HG2 VAL 85 2HG2 VAL 85 3.962 -17.882 5.618 664 3HG2 VAL 85 3HG2 VAL 85 4.296 -16.900 4.169 Start of MODEL 15 1 1H VAL 2 1H VAL 2 -18.397 3.589 -1.521 2 2H VAL 2 2H VAL 2 -18.310 4.877 -0.443 3 3H VAL 2 3H VAL 2 -19.215 5.020 -1.853 4 HA VAL 2 HA VAL 2 -17.256 4.839 -3.189 5 HB VAL 2 HB VAL 2 -17.023 6.957 -1.014 6 1HG1 VAL 2 1HG2 VAL 2 -15.889 6.778 -3.844 7 2HG1 VAL 2 2HG2 VAL 2 -15.763 8.193 -2.769 8 3HG1 VAL 2 3HG2 VAL 2 -14.946 6.670 -2.340 9 1HG2 VAL 2 1HG1 VAL 2 -18.348 6.958 -3.765 10 2HG2 VAL 2 2HG1 VAL 2 -19.201 6.956 -2.200 11 3HG2 VAL 2 3HG1 VAL 2 -18.217 8.363 -2.676 12 H GLN 3 H GLN 3 -16.384 5.205 0.286 13 HA GLN 3 HA GLN 3 -14.182 3.255 -0.187 14 1HB GLN 3 1HB GLN 3 -13.641 5.604 0.827 15 2HB GLN 3 2HB GLN 3 -14.527 5.037 2.264 16 1HG GLN 3 1HG GLN 3 -13.011 3.033 2.297 17 2HG GLN 3 2HG GLN 3 -12.044 3.830 1.036 18 1HE2 GLN 3 2HE2 GLN 3 -13.638 4.735 4.182 19 2HE2 GLN 3 1HE2 GLN 3 -12.241 5.608 4.780 20 H GLN 4 H GLN 4 -14.012 1.528 1.275 21 HA GLN 4 HA GLN 4 -15.763 1.124 3.535 22 1HB GLN 4 1HB GLN 4 -15.795 -0.737 1.125 23 2HB GLN 4 2HB GLN 4 -16.487 -1.142 2.703 24 1HG GLN 4 1HG GLN 4 -17.416 1.273 1.127 25 2HG GLN 4 2HG GLN 4 -18.061 -0.348 0.809 26 1HE2 GLN 4 2HE2 GLN 4 -18.589 -1.572 3.097 27 2HE2 GLN 4 1HE2 GLN 4 -19.587 -0.584 4.143 28 H LYS 5 H LYS 5 -14.776 -0.955 4.691 29 HA LYS 5 HA LYS 5 -12.249 -1.859 3.547 30 1HB LYS 5 1HB LYS 5 -11.132 -1.383 5.771 31 2HB LYS 5 2HB LYS 5 -11.450 -0.005 4.708 32 1HG LYS 5 1HG LYS 5 -11.958 0.630 6.973 33 2HG LYS 5 2HG LYS 5 -13.459 0.590 6.021 34 1HD LYS 5 1HD LYS 5 -14.049 -1.604 6.990 35 2HD LYS 5 2HD LYS 5 -12.478 -1.675 7.810 36 1HE LYS 5 1HE LYS 5 -13.040 0.409 9.065 37 2HE LYS 5 2HE LYS 5 -14.671 0.356 8.364 38 1HZ LYS 5 1HZ LYS 5 -14.930 -1.817 9.381 39 2HZ LYS 5 2HZ LYS 5 -13.428 -1.712 10.059 40 3HZ LYS 5 3HZ LYS 5 -14.611 -0.661 10.512 41 H VAL 6 H VAL 6 -11.432 -3.720 4.560 42 HA VAL 6 HA VAL 6 -13.224 -5.175 6.432 43 HB VAL 6 HB VAL 6 -11.709 -6.278 4.021 44 1HG1 VAL 6 1HG1 VAL 6 -11.794 -7.835 5.937 45 2HG1 VAL 6 2HG1 VAL 6 -13.562 -7.641 6.015 46 3HG1 VAL 6 3HG1 VAL 6 -12.814 -8.412 4.596 47 1HG2 VAL 6 1HG2 VAL 6 -13.747 -5.042 3.361 48 2HG2 VAL 6 2HG2 VAL 6 -13.940 -6.793 3.094 49 3HG2 VAL 6 3HG2 VAL 6 -14.707 -6.016 4.503 50 H GLU 7 H GLU 7 -11.932 -5.678 8.277 51 HA GLU 7 HA GLU 7 -9.145 -4.933 7.913 52 1HB GLU 7 1HB GLU 7 -10.647 -5.893 10.400 53 2HB GLU 7 2HB GLU 7 -8.995 -5.230 10.423 54 1HG GLU 7 1HG GLU 7 -9.748 -3.079 9.639 55 2HG GLU 7 2HG GLU 7 -11.331 -3.740 9.184 56 H VAL 8 H VAL 8 -7.274 -6.097 8.384 57 HA VAL 8 HA VAL 8 -7.621 -9.033 8.228 58 HB VAL 8 HB VAL 8 -6.556 -9.191 6.215 59 1HG1 VAL 8 1HG2 VAL 8 -8.447 -7.665 5.768 60 2HG1 VAL 8 2HG2 VAL 8 -7.380 -6.265 6.051 61 3HG1 VAL 8 3HG2 VAL 8 -7.080 -7.353 4.670 62 1HG2 VAL 8 1HG1 VAL 8 -4.418 -8.278 7.002 63 2HG2 VAL 8 2HG1 VAL 8 -4.806 -7.695 5.366 64 3HG2 VAL 8 3HG1 VAL 8 -5.037 -6.622 6.775 65 H ARG 9 H ARG 9 -5.859 -10.257 9.030 66 HA ARG 9 HA ARG 9 -3.818 -8.673 10.527 67 1HB ARG 9 1HB ARG 9 -4.713 -10.796 11.554 68 2HB ARG 9 2HB ARG 9 -4.099 -11.656 10.102 69 1HG ARG 9 1HG ARG 9 -1.794 -10.574 10.769 70 2HG ARG 9 2HG ARG 9 -2.555 -10.434 12.369 71 1HD ARG 9 1HD ARG 9 -1.444 -12.581 12.268 72 2HD ARG 9 2HD ARG 9 -3.173 -12.925 12.113 73 HE ARG 9 HE ARG 9 -1.064 -13.164 10.063 74 1HH1 ARG 9 2HH1 ARG 9 -4.554 -13.257 10.705 75 2HH1 ARG 9 1HH1 ARG 9 -4.944 -13.906 9.131 76 1HH2 ARG 9 1HH2 ARG 9 -1.603 -14.105 8.051 77 2HH2 ARG 9 2HH2 ARG 9 -3.286 -14.317 7.608 78 H LEU 10 H LEU 10 -2.551 -7.769 9.078 79 HA LEU 10 HA LEU 10 -2.046 -8.246 6.456 80 1HB LEU 10 1HB LEU 10 -1.490 -6.313 7.895 81 2HB LEU 10 2HB LEU 10 -0.108 -7.205 8.550 82 HG LEU 10 HG LEU 10 1.049 -7.118 6.460 83 1HD1 LEU 10 1HD1 LEU 10 -1.550 -6.047 5.267 84 2HD1 LEU 10 2HD1 LEU 10 0.009 -6.187 4.419 85 3HD1 LEU 10 3HD1 LEU 10 -0.851 -7.655 4.948 86 1HD2 LEU 10 1HD2 LEU 10 0.874 -5.067 7.866 87 2HD2 LEU 10 2HD2 LEU 10 1.105 -4.697 6.145 88 3HD2 LEU 10 3HD2 LEU 10 -0.511 -4.530 6.882 89 H LYS 11 H LYS 11 -1.871 -10.524 6.048 90 HA LYS 11 HA LYS 11 0.308 -12.112 7.104 91 1HB LYS 11 1HB LYS 11 -1.616 -13.332 6.544 92 2HB LYS 11 2HB LYS 11 -1.893 -12.429 5.049 93 1HG LYS 11 1HG LYS 11 0.555 -14.169 5.282 94 2HG LYS 11 2HG LYS 11 -1.044 -14.865 4.896 95 1HD LYS 11 1HD LYS 11 0.409 -12.683 3.345 96 2HD LYS 11 2HD LYS 11 -0.047 -14.315 2.766 97 1HE LYS 11 1HE LYS 11 -2.414 -13.754 2.972 98 2HE LYS 11 2HE LYS 11 -1.989 -12.188 3.731 99 1HZ LYS 11 1HZ LYS 11 -1.284 -12.981 1.002 100 2HZ LYS 11 2HZ LYS 11 -2.557 -12.028 1.412 101 3HZ LYS 11 3HZ LYS 11 -1.022 -11.506 1.713 102 H THR 12 H THR 12 -0.424 -10.518 3.949 103 HA THR 12 HA THR 12 1.843 -11.228 2.530 104 HB THR 12 HB THR 12 0.881 -8.367 2.597 105 HG1 THR 12 HG1 THR 12 -0.924 -8.910 1.494 106 1HG2 THR 12 1HG2 THR 12 1.533 -10.212 0.282 107 2HG2 THR 12 2HG2 THR 12 1.160 -8.482 0.179 108 3HG2 THR 12 3HG2 THR 12 2.654 -9.033 0.979 109 H GLY 13 H GLY 13 1.306 -8.524 4.777 110 1HA GLY 13 1HA GLY 13 2.646 -6.950 5.759 111 2HA GLY 13 2HA GLY 13 3.951 -8.163 5.790 112 H LEU 14 H LEU 14 2.423 -7.274 2.870 113 HA LEU 14 HA LEU 14 3.361 -6.698 0.837 114 1HB LEU 14 1HB LEU 14 3.325 -4.269 2.572 115 2HB LEU 14 2HB LEU 14 3.435 -4.218 0.812 116 HG LEU 14 HG LEU 14 1.071 -4.562 2.461 117 1HD1 LEU 14 1HD1 LEU 14 1.338 -3.034 0.532 118 2HD1 LEU 14 2HD1 LEU 14 1.424 -4.437 -0.560 119 3HD1 LEU 14 3HD1 LEU 14 -0.075 -4.103 0.344 120 1HD2 LEU 14 1HD2 LEU 14 1.489 -6.730 0.380 121 2HD2 LEU 14 2HD2 LEU 14 1.222 -6.957 2.124 122 3HD2 LEU 14 3HD2 LEU 14 -0.077 -6.290 1.109 123 H GLN 15 H GLN 15 5.167 -8.007 1.016 124 HA GLN 15 HA GLN 15 7.669 -6.667 1.928 125 1HB GLN 15 1HB GLN 15 7.105 -9.517 1.062 126 2HB GLN 15 2HB GLN 15 8.697 -8.931 1.599 127 1HG GLN 15 1HG GLN 15 6.189 -8.654 3.302 128 2HG GLN 15 2HG GLN 15 7.277 -10.056 3.391 129 1HE2 GLN 15 2HE2 GLN 15 6.783 -6.783 4.448 130 2HE2 GLN 15 1HE2 GLN 15 8.336 -6.608 5.250 131 H ALA 16 H ALA 16 6.960 -8.749 -0.952 132 HA ALA 16 HA ALA 16 8.330 -6.645 -2.541 133 1HB ALA 16 1HB ALA 16 10.098 -8.128 -1.745 134 2HB ALA 16 2HB ALA 16 9.238 -9.540 -2.401 135 3HB ALA 16 3HB ALA 16 9.882 -8.295 -3.503 136 H ARG 17 H ARG 17 6.188 -9.533 -2.498 137 HA ARG 17 HA ARG 17 5.790 -8.863 -5.390 138 1HB ARG 17 1HB ARG 17 5.719 -11.630 -4.146 139 2HB ARG 17 2HB ARG 17 5.425 -11.260 -5.863 140 1HG ARG 17 1HG ARG 17 7.699 -10.483 -6.144 141 2HG ARG 17 2HG ARG 17 7.932 -10.422 -4.391 142 1HD ARG 17 1HD ARG 17 7.739 -12.869 -6.155 143 2HD ARG 17 2HD ARG 17 9.080 -12.393 -5.104 144 HE ARG 17 HE ARG 17 7.101 -14.162 -4.415 145 1HH1 ARG 17 2HH1 ARG 17 8.215 -11.127 -3.009 146 2HH1 ARG 17 1HH1 ARG 17 7.298 -11.329 -1.540 147 1HH2 ARG 17 1HH2 ARG 17 6.472 -14.708 -2.317 148 2HH2 ARG 17 2HH2 ARG 17 6.862 -13.666 -0.976 149 HA PRO 18 HA PRO 18 1.500 -10.502 -4.188 150 1HB PRO 18 1HB PRO 18 0.919 -11.359 -1.688 151 2HB PRO 18 2HB PRO 18 1.767 -12.439 -2.855 152 1HG PRO 18 1HG PRO 18 3.074 -10.529 -0.867 153 2HG PRO 18 2HG PRO 18 3.296 -12.274 -0.895 154 1HD PRO 18 1HD PRO 18 5.039 -10.757 -2.207 155 2HD PRO 18 2HD PRO 18 4.358 -12.143 -3.115 156 H ALA 19 H ALA 19 3.304 -8.628 -1.715 157 HA ALA 19 HA ALA 19 1.259 -7.040 -0.757 158 1HB ALA 19 1HB ALA 19 3.742 -6.961 -0.279 159 2HB ALA 19 2HB ALA 19 3.944 -6.145 -1.858 160 3HB ALA 19 3HB ALA 19 3.020 -5.345 -0.551 161 H ALA 20 H ALA 20 3.125 -6.520 -3.764 162 HA ALA 20 HA ALA 20 1.477 -4.181 -4.544 163 1HB ALA 20 1HB ALA 20 3.648 -5.753 -6.032 164 2HB ALA 20 2HB ALA 20 2.911 -4.226 -6.568 165 3HB ALA 20 3HB ALA 20 3.915 -4.263 -5.096 166 H LEU 21 H LEU 21 1.727 -7.673 -5.214 167 HA LEU 21 HA LEU 21 -0.125 -7.662 -7.394 168 1HB LEU 21 1HB LEU 21 1.314 -9.571 -6.544 169 2HB LEU 21 2HB LEU 21 0.089 -9.837 -5.285 170 HG LEU 21 HG LEU 21 -0.156 -11.297 -7.314 171 1HD1 LEU 21 1HD2 LEU 21 -2.107 -10.789 -5.903 172 2HD1 LEU 21 2HD2 LEU 21 -2.448 -9.347 -6.888 173 3HD1 LEU 21 3HD2 LEU 21 -2.570 -10.968 -7.614 174 1HD2 LEU 21 1HD1 LEU 21 0.623 -9.627 -8.973 175 2HD2 LEU 21 2HD1 LEU 21 -0.974 -10.285 -9.402 176 3HD2 LEU 21 3HD1 LEU 21 -0.845 -8.664 -8.683 177 H PHE 22 H PHE 22 -0.548 -7.713 -3.895 178 HA PHE 22 HA PHE 22 -3.366 -7.802 -3.616 179 1HB PHE 22 1HB PHE 22 -2.119 -8.066 -1.629 180 2HB PHE 22 2HB PHE 22 -0.958 -6.836 -2.131 181 HD1 PHE 22 HD1 PHE 22 -0.811 -4.893 -1.127 182 HD2 PHE 22 HD2 PHE 22 -4.637 -6.847 -1.261 183 HE1 PHE 22 HE1 PHE 22 -1.833 -2.953 0.055 184 HE2 PHE 22 HE2 PHE 22 -5.658 -4.917 -0.065 185 HZ PHE 22 HZ PHE 22 -4.260 -2.999 0.634 186 H VAL 23 H VAL 23 -1.153 -4.940 -3.543 187 HA VAL 23 HA VAL 23 -3.104 -3.007 -3.644 188 HB VAL 23 HB VAL 23 -1.500 -1.489 -4.113 189 1HG1 VAL 23 1HG1 VAL 23 -0.648 -2.699 -2.252 190 2HG1 VAL 23 2HG1 VAL 23 0.290 -3.762 -3.338 191 3HG1 VAL 23 3HG1 VAL 23 0.648 -2.017 -3.248 192 1HG2 VAL 23 1HG2 VAL 23 -1.300 -2.052 -6.401 193 2HG2 VAL 23 2HG2 VAL 23 0.284 -1.647 -5.712 194 3HG2 VAL 23 3HG2 VAL 23 -0.171 -3.364 -6.029 195 H GLN 24 H GLN 24 -1.610 -4.680 -6.441 196 HA GLN 24 HA GLN 24 -3.130 -3.215 -8.358 197 1HB GLN 24 1HB GLN 24 -2.085 -4.457 -10.016 198 2HB GLN 24 2HB GLN 24 -0.886 -4.179 -8.738 199 1HG GLN 24 1HG GLN 24 -0.635 -6.488 -9.469 200 2HG GLN 24 2HG GLN 24 -1.476 -6.543 -7.907 201 1HE2 GLN 24 2HE2 GLN 24 -3.016 -7.942 -7.975 202 2HE2 GLN 24 1HE2 GLN 24 -4.054 -8.272 -9.352 203 H GLU 25 H GLU 25 -4.028 -6.010 -6.432 204 HA GLU 25 HA GLU 25 -6.251 -6.675 -8.251 205 1HB GLU 25 1HB GLU 25 -5.763 -7.120 -5.239 206 2HB GLU 25 2HB GLU 25 -7.102 -7.868 -6.144 207 1HG GLU 25 1HG GLU 25 -4.214 -8.255 -6.916 208 2HG GLU 25 2HG GLU 25 -4.992 -9.276 -5.692 209 H ALA 26 H ALA 26 -5.733 -4.805 -5.287 210 HA ALA 26 HA ALA 26 -8.352 -3.709 -4.996 211 1HB ALA 26 1HB ALA 26 -5.632 -2.386 -4.624 212 2HB ALA 26 2HB ALA 26 -7.160 -1.809 -3.920 213 3HB ALA 26 3HB ALA 26 -6.475 -3.369 -3.401 214 H ASN 27 H ASN 27 -5.566 -2.632 -6.832 215 HA ASN 27 HA ASN 27 -6.418 -0.360 -8.223 216 1HB ASN 27 1HB ASN 27 -4.477 -2.625 -8.486 217 2HB ASN 27 2HB ASN 27 -4.861 -1.826 -9.996 218 1HD2 ASN 27 2HD2 ASN 27 -3.827 -1.113 -6.638 219 2HD2 ASN 27 1HD2 ASN 27 -2.774 0.236 -7.015 220 H ARG 28 H ARG 28 -6.495 -3.767 -9.001 221 HA ARG 28 HA ARG 28 -7.365 -3.939 -11.599 222 1HB ARG 28 1HB ARG 28 -7.203 -5.551 -9.142 223 2HB ARG 28 2HB ARG 28 -8.419 -6.142 -10.241 224 1HG ARG 28 1HG ARG 28 -6.551 -5.772 -12.082 225 2HG ARG 28 2HG ARG 28 -5.456 -5.783 -10.684 226 1HD ARG 28 1HD ARG 28 -5.715 -8.064 -11.639 227 2HD ARG 28 2HD ARG 28 -6.364 -7.986 -9.989 228 HE ARG 28 HE ARG 28 -8.340 -7.468 -12.076 229 1HH1 ARG 28 1HH2 ARG 28 -6.752 -9.904 -10.079 230 2HH1 ARG 28 2HH2 ARG 28 -7.959 -11.136 -10.349 231 1HH2 ARG 28 2HH1 ARG 28 -9.960 -9.047 -12.419 232 2HH2 ARG 28 1HH1 ARG 28 -9.833 -10.627 -11.692 233 H PHE 29 H PHE 29 -9.238 -3.097 -8.748 234 HA PHE 29 HA PHE 29 -11.794 -3.316 -10.171 235 1HB PHE 29 1HB PHE 29 -10.885 -2.024 -7.564 236 2HB PHE 29 2HB PHE 29 -12.573 -2.089 -8.104 237 HD1 PHE 29 HD1 PHE 29 -13.489 -4.538 -8.589 238 HD2 PHE 29 HD2 PHE 29 -9.845 -3.748 -6.449 239 HE1 PHE 29 HE1 PHE 29 -13.663 -6.754 -7.468 240 HE2 PHE 29 HE2 PHE 29 -10.044 -5.950 -5.293 241 HZ PHE 29 HZ PHE 29 -12.038 -7.385 -5.715 242 H THR 30 H THR 30 -10.787 -0.497 -8.394 243 HA THR 30 HA THR 30 -10.113 1.263 -10.535 244 HB THR 30 HB THR 30 -12.152 2.781 -10.048 245 HG1 THR 30 HG1 THR 30 -13.358 0.282 -9.411 246 1HG2 THR 30 1HG2 THR 30 -13.582 1.649 -11.752 247 2HG2 THR 30 2HG2 THR 30 -11.868 1.739 -12.227 248 3HG2 THR 30 3HG2 THR 30 -12.532 0.210 -11.622 249 H SER 31 H SER 31 -11.940 1.134 -7.593 250 HA SER 31 HA SER 31 -11.648 2.989 -5.972 251 1HB SER 31 1HB SER 31 -10.791 0.240 -5.083 252 2HB SER 31 2HB SER 31 -11.723 1.447 -4.166 253 HG SER 31 HG SER 31 -13.126 -0.089 -5.064 254 H ASP 32 H ASP 32 -10.539 4.177 -4.716 255 HA ASP 32 HA ASP 32 -7.601 4.041 -4.789 256 1HB ASP 32 1HB ASP 32 -9.027 6.211 -4.811 257 2HB ASP 32 2HB ASP 32 -9.259 5.877 -3.070 258 H VAL 33 H VAL 33 -7.122 2.218 -3.773 259 HA VAL 33 HA VAL 33 -8.591 1.253 -1.491 260 HB VAL 33 HB VAL 33 -6.197 0.270 -3.073 261 1HG1 VAL 33 1HG1 VAL 33 -6.255 -0.781 -0.811 262 2HG1 VAL 33 2HG1 VAL 33 -7.948 -1.241 -1.088 263 3HG1 VAL 33 3HG1 VAL 33 -6.664 -1.942 -2.105 264 1HG2 VAL 33 1HG2 VAL 33 -8.334 0.743 -4.209 265 2HG2 VAL 33 2HG2 VAL 33 -8.056 -1.015 -4.172 266 3HG2 VAL 33 3HG2 VAL 33 -9.206 -0.245 -3.032 267 H PHE 34 H PHE 34 -7.800 0.755 0.550 268 HA PHE 34 HA PHE 34 -5.424 2.290 1.401 269 1HB PHE 34 1HB PHE 34 -8.161 2.618 2.665 270 2HB PHE 34 2HB PHE 34 -6.622 3.244 3.273 271 HD1 PHE 34 HD1 PHE 34 -9.471 4.280 1.548 272 HD2 PHE 34 HD2 PHE 34 -5.182 4.510 1.416 273 HE1 PHE 34 HE1 PHE 34 -9.631 6.225 0.031 274 HE2 PHE 34 HE2 PHE 34 -5.340 6.472 -0.135 275 HZ PHE 34 HZ PHE 34 -7.565 7.276 -0.875 276 H LEU 35 H LEU 35 -4.749 1.750 3.597 277 HA LEU 35 HA LEU 35 -5.802 -0.831 4.595 278 1HB LEU 35 1HB LEU 35 -3.781 -1.232 3.089 279 2HB LEU 35 2HB LEU 35 -2.814 -0.336 4.286 280 HG LEU 35 HG LEU 35 -3.536 -1.939 6.040 281 1HD1 LEU 35 1HD2 LEU 35 -4.999 -3.296 3.730 282 2HD1 LEU 35 2HD2 LEU 35 -4.862 -3.930 5.387 283 3HD1 LEU 35 3HD2 LEU 35 -5.773 -2.435 5.080 284 1HD2 LEU 35 1HD1 LEU 35 -1.515 -2.462 4.698 285 2HD2 LEU 35 2HD1 LEU 35 -2.376 -3.945 5.178 286 3HD2 LEU 35 3HD1 LEU 35 -2.530 -3.325 3.517 287 H GLU 36 H GLU 36 -6.267 -0.483 6.667 288 HA GLU 36 HA GLU 36 -5.072 1.920 8.006 289 1HB GLU 36 1HB GLU 36 -7.711 0.628 8.699 290 2HB GLU 36 2HB GLU 36 -7.171 2.282 9.032 291 1HG GLU 36 1HG GLU 36 -7.314 2.821 6.651 292 2HG GLU 36 2HG GLU 36 -7.787 1.160 6.272 293 H LYS 37 H LYS 37 -3.326 0.650 9.035 294 HA LYS 37 HA LYS 37 -3.493 -1.891 10.232 295 1HB LYS 37 1HB LYS 37 -1.776 0.556 10.777 296 2HB LYS 37 2HB LYS 37 -1.422 -1.101 11.268 297 1HG LYS 37 1HG LYS 37 -1.477 -1.679 8.830 298 2HG LYS 37 2HG LYS 37 -1.458 0.058 8.467 299 1HD LYS 37 1HD LYS 37 0.809 -1.122 8.503 300 2HD LYS 37 2HD LYS 37 0.711 0.304 9.560 301 1HE LYS 37 1HE LYS 37 0.159 -2.499 10.620 302 2HE LYS 37 2HE LYS 37 1.807 -1.864 10.421 303 1HZ LYS 37 1HZ LYS 37 1.281 -0.043 11.820 304 2HZ LYS 37 2HZ LYS 37 -0.247 -0.610 12.087 305 3HZ LYS 37 3HZ LYS 37 1.056 -1.472 12.605 306 H ASP 38 H ASP 38 -5.373 -1.992 11.653 307 HA ASP 38 HA ASP 38 -6.654 -1.533 13.487 308 1HB ASP 38 1HB ASP 38 -3.892 -0.897 14.571 309 2HB ASP 38 2HB ASP 38 -5.366 -0.965 15.560 310 H GLY 39 H GLY 39 -6.240 0.587 11.475 311 1HA GLY 39 1HA GLY 39 -7.530 2.738 11.794 312 2HA GLY 39 2HA GLY 39 -6.539 2.948 13.258 313 H LYS 40 H LYS 40 -4.092 1.821 11.722 314 HA LYS 40 HA LYS 40 -3.141 4.405 10.826 315 1HB LYS 40 1HB LYS 40 -1.851 1.660 10.659 316 2HB LYS 40 2HB LYS 40 -1.028 3.235 10.590 317 1HG LYS 40 1HG LYS 40 -1.923 3.675 12.941 318 2HG LYS 40 2HG LYS 40 -2.498 1.984 12.951 319 1HD LYS 40 1HD LYS 40 -0.275 2.189 14.037 320 2HD LYS 40 2HD LYS 40 -0.209 1.179 12.574 321 1HE LYS 40 1HE LYS 40 0.598 3.121 11.263 322 2HE LYS 40 2HE LYS 40 0.523 4.140 12.715 323 1HZ LYS 40 1HZ LYS 40 2.231 1.774 12.383 324 2HZ LYS 40 2HZ LYS 40 2.731 3.340 12.304 325 3HZ LYS 40 3HZ LYS 40 2.160 2.733 13.723 326 H LYS 41 H LYS 41 -4.811 4.589 9.145 327 HA LYS 41 HA LYS 41 -4.611 2.834 6.838 328 1HB LYS 41 1HB LYS 41 -6.732 3.537 7.563 329 2HB LYS 41 2HB LYS 41 -6.275 5.240 7.559 330 1HG LYS 41 1HG LYS 41 -6.187 3.676 4.969 331 2HG LYS 41 2HG LYS 41 -7.743 4.235 5.614 332 1HD LYS 41 1HD LYS 41 -6.618 6.549 5.902 333 2HD LYS 41 2HD LYS 41 -5.314 5.929 4.875 334 1HE LYS 41 1HE LYS 41 -6.959 7.140 3.509 335 2HE LYS 41 2HE LYS 41 -7.027 5.416 3.109 336 1HZ LYS 41 1HZ LYS 41 -8.903 5.248 4.634 337 2HZ LYS 41 2HZ LYS 41 -8.865 6.878 4.882 338 3HZ LYS 41 3HZ LYS 41 -9.209 6.266 3.387 339 H VAL 42 H VAL 42 -3.855 3.080 4.979 340 HA VAL 42 HA VAL 42 -2.699 5.601 3.937 341 HB VAL 42 HB VAL 42 -0.962 4.331 5.111 342 1HG1 VAL 42 1HG2 VAL 42 -2.068 2.144 4.960 343 2HG1 VAL 42 2HG2 VAL 42 -1.784 2.095 3.208 344 3HG1 VAL 42 3HG2 VAL 42 -0.404 2.020 4.344 345 1HG2 VAL 42 1HG1 VAL 42 -0.264 5.559 3.128 346 2HG2 VAL 42 2HG1 VAL 42 0.696 4.074 3.360 347 3HG2 VAL 42 3HG1 VAL 42 -0.584 4.117 2.126 348 H ASN 43 H ASN 43 -1.889 5.036 1.605 349 HA ASN 43 HA ASN 43 -4.263 4.084 0.155 350 1HB ASN 43 1HB ASN 43 -3.038 6.215 -0.417 351 2HB ASN 43 2HB ASN 43 -1.634 5.222 -0.867 352 1HD2 ASN 43 2HD2 ASN 43 -5.056 4.214 -1.563 353 2HD2 ASN 43 1HD2 ASN 43 -4.971 4.720 -3.239 354 H ALA 44 H ALA 44 -4.377 2.044 0.432 355 HA ALA 44 HA ALA 44 -2.329 0.135 0.541 356 1HB ALA 44 1HB ALA 44 -5.264 -0.064 -0.261 357 2HB ALA 44 2HB ALA 44 -4.247 -1.468 0.114 358 3HB ALA 44 3HB ALA 44 -4.625 -0.271 1.385 359 H LYS 45 H LYS 45 -4.239 1.387 -2.131 360 HA LYS 45 HA LYS 45 -3.355 -0.717 -3.962 361 1HB LYS 45 1HB LYS 45 -4.466 0.626 -5.690 362 2HB LYS 45 2HB LYS 45 -5.538 0.327 -4.300 363 1HG LYS 45 1HG LYS 45 -5.171 2.567 -3.450 364 2HG LYS 45 2HG LYS 45 -3.852 2.835 -4.601 365 1HD LYS 45 1HD LYS 45 -6.792 2.396 -5.390 366 2HD LYS 45 2HD LYS 45 -5.897 3.939 -5.462 367 1HE LYS 45 1HE LYS 45 -4.391 2.974 -7.145 368 2HE LYS 45 2HE LYS 45 -5.142 1.379 -6.937 369 1HZ LYS 45 1HZ LYS 45 -7.217 2.336 -7.718 370 2HZ LYS 45 2HZ LYS 45 -6.480 3.785 -7.959 371 3HZ LYS 45 3HZ LYS 45 -6.019 2.472 -8.840 372 H SER 46 H SER 46 -1.884 2.192 -2.776 373 HA SER 46 HA SER 46 -0.172 2.198 -5.185 374 1HB SER 46 1HB SER 46 -1.416 4.332 -4.719 375 2HB SER 46 2HB SER 46 -0.501 4.488 -3.218 376 HG SER 46 HG SER 46 0.411 5.574 -5.119 377 H ILE 47 H ILE 47 1.920 3.237 -4.567 378 HA ILE 47 HA ILE 47 3.699 1.475 -3.289 379 HB ILE 47 HB ILE 47 4.632 3.009 -4.749 380 1HG1 ILE 47 1HG1 ILE 47 5.900 2.950 -2.478 381 2HG1 ILE 47 2HG1 ILE 47 6.307 4.214 -3.656 382 1HG2 ILE 47 1HG2 ILE 47 2.757 4.592 -4.861 383 2HG2 ILE 47 2HG2 ILE 47 3.289 5.317 -3.325 384 3HG2 ILE 47 3HG2 ILE 47 4.328 5.424 -4.763 385 1HD1 ILE 47 1HD1 ILE 47 4.788 5.809 -2.467 386 2HD1 ILE 47 2HD1 ILE 47 4.491 4.571 -1.240 387 3HD1 ILE 47 3HD1 ILE 47 6.121 5.237 -1.430 388 H MET 48 H MET 48 2.353 4.510 -2.061 389 HA MET 48 HA MET 48 3.688 4.481 0.396 390 1HB MET 48 1HB MET 48 2.591 6.416 -0.668 391 2HB MET 48 2HB MET 48 1.009 5.734 -0.256 392 1HG MET 48 1HG MET 48 1.734 7.434 1.398 393 2HG MET 48 2HG MET 48 1.655 5.834 2.163 394 1HE MET 48 1HE MET 48 4.004 8.431 0.410 395 2HE MET 48 2HE MET 48 5.611 7.729 0.733 396 3HE MET 48 3HE MET 48 4.466 6.876 -0.332 397 H GLY 49 H GLY 49 0.427 3.163 -0.364 398 1HA GLY 49 1HA GLY 49 -0.151 2.473 2.385 399 2HA GLY 49 2HA GLY 49 -1.019 1.936 0.921 400 H LEU 50 H LEU 50 0.873 0.669 -0.567 401 HA LEU 50 HA LEU 50 1.022 -1.889 0.432 402 1HB LEU 50 1HB LEU 50 1.343 -0.838 -1.922 403 2HB LEU 50 2HB LEU 50 3.032 -0.589 -1.433 404 HG LEU 50 HG LEU 50 1.566 -3.250 -1.633 405 1HD1 LEU 50 1HD1 LEU 50 2.169 -2.212 -3.797 406 2HD1 LEU 50 2HD1 LEU 50 3.850 -2.030 -3.240 407 3HD1 LEU 50 3HD1 LEU 50 3.159 -3.654 -3.479 408 1HD2 LEU 50 1HD2 LEU 50 4.457 -2.626 -0.889 409 2HD2 LEU 50 2HD2 LEU 50 3.196 -3.234 0.204 410 3HD2 LEU 50 3HD2 LEU 50 3.761 -4.255 -1.134 411 H MET 51 H MET 51 3.673 0.512 0.178 412 HA MET 51 HA MET 51 5.501 -1.229 1.534 413 1HB MET 51 1HB MET 51 6.130 0.327 -0.299 414 2HB MET 51 2HB MET 51 5.705 1.702 0.743 415 1HG MET 51 1HG MET 51 7.412 0.896 2.397 416 2HG MET 51 2HG MET 51 7.912 -0.332 1.222 417 1HE MET 51 1HE MET 51 6.674 3.248 0.367 418 2HE MET 51 2HE MET 51 7.488 3.491 1.932 419 3HE MET 51 3HE MET 51 8.171 4.212 0.453 420 H SER 52 H SER 52 3.651 1.715 2.605 421 HA SER 52 HA SER 52 5.304 1.762 4.994 422 1HB SER 52 1HB SER 52 2.753 3.326 4.503 423 2HB SER 52 2HB SER 52 4.069 3.698 5.643 424 HG SER 52 HG SER 52 4.023 3.805 2.825 425 H LEU 53 H LEU 53 1.717 1.451 4.657 426 HA LEU 53 HA LEU 53 1.623 0.460 7.412 427 1HB LEU 53 1HB LEU 53 -0.472 1.065 5.363 428 2HB LEU 53 2HB LEU 53 -0.816 0.289 6.921 429 HG LEU 53 HG LEU 53 -1.121 2.624 7.233 430 1HD1 LEU 53 1HD1 LEU 53 -0.094 1.436 9.086 431 2HD1 LEU 53 2HD1 LEU 53 1.531 1.779 8.432 432 3HD1 LEU 53 3HD1 LEU 53 0.502 3.112 9.016 433 1HD2 LEU 53 1HD2 LEU 53 0.277 3.459 5.349 434 2HD2 LEU 53 2HD2 LEU 53 0.644 4.303 6.875 435 3HD2 LEU 53 3HD2 LEU 53 1.735 3.029 6.276 436 H ALA 54 H ALA 54 0.756 -0.714 4.153 437 HA ALA 54 HA ALA 54 -0.128 -3.286 4.846 438 1HB ALA 54 1HB ALA 54 -0.607 -2.090 2.729 439 2HB ALA 54 2HB ALA 54 1.097 -2.273 2.257 440 3HB ALA 54 3HB ALA 54 0.070 -3.709 2.440 441 H VAL 55 H VAL 55 3.152 -2.104 4.752 442 HA VAL 55 HA VAL 55 4.350 -4.694 4.322 443 HB VAL 55 HB VAL 55 5.370 -2.372 3.929 444 1HG1 VAL 55 1HG1 VAL 55 4.901 -1.443 6.184 445 2HG1 VAL 55 2HG1 VAL 55 5.948 -2.688 6.907 446 3HG1 VAL 55 3HG1 VAL 55 6.640 -1.451 5.830 447 1HG2 VAL 55 1HG2 VAL 55 6.908 -4.507 5.452 448 2HG2 VAL 55 2HG2 VAL 55 6.596 -4.479 3.700 449 3HG2 VAL 55 3HG2 VAL 55 7.632 -3.233 4.435 450 H SER 56 H SER 56 2.603 -3.456 7.004 451 HA SER 56 HA SER 56 4.395 -4.665 8.938 452 1HB SER 56 1HB SER 56 1.588 -3.624 9.432 453 2HB SER 56 2HB SER 56 2.919 -3.765 10.595 454 HG SER 56 HG SER 56 2.744 -2.014 8.347 455 H THR 57 H THR 57 4.235 -6.832 7.785 456 HA THR 57 HA THR 57 2.171 -8.575 7.918 457 HB THR 57 HB THR 57 4.807 -9.424 9.074 458 HG1 THR 57 HG1 THR 57 5.639 -9.315 6.903 459 1HG2 THR 57 1HG2 THR 57 2.943 -10.444 6.872 460 2HG2 THR 57 2HG2 THR 57 4.377 -11.303 7.488 461 3HG2 THR 57 3HG2 THR 57 2.975 -11.019 8.550 462 H GLY 58 H GLY 58 0.787 -9.235 9.402 463 1HA GLY 58 1HA GLY 58 0.131 -10.272 11.398 464 2HA GLY 58 2HA GLY 58 1.632 -9.762 12.175 465 H THR 59 H THR 59 -0.045 -7.186 10.476 466 HA THR 59 HA THR 59 -1.165 -6.435 13.126 467 HB THR 59 HB THR 59 0.638 -4.929 12.500 468 HG1 THR 59 HG1 THR 59 0.358 -5.118 10.205 469 1HG2 THR 59 1HG2 THR 59 -0.581 -2.792 12.660 470 2HG2 THR 59 2HG2 THR 59 -2.094 -3.622 12.232 471 3HG2 THR 59 3HG2 THR 59 -1.268 -4.016 13.756 472 H GLU 60 H GLU 60 -3.319 -5.674 13.233 473 HA GLU 60 HA GLU 60 -4.907 -6.796 11.078 474 1HB GLU 60 1HB GLU 60 -6.036 -5.390 13.485 475 2HB GLU 60 2HB GLU 60 -6.685 -6.774 12.552 476 1HG GLU 60 1HG GLU 60 -4.185 -6.855 14.292 477 2HG GLU 60 2HG GLU 60 -5.764 -7.467 14.778 478 H VAL 61 H VAL 61 -4.299 -5.420 9.478 479 HA VAL 61 HA VAL 61 -5.050 -2.560 9.707 480 HB VAL 61 HB VAL 61 -3.748 -2.270 7.655 481 1HG1 VAL 61 1HG1 VAL 61 -2.421 -4.299 9.529 482 2HG1 VAL 61 2HG1 VAL 61 -1.563 -3.256 8.375 483 3HG1 VAL 61 3HG1 VAL 61 -2.419 -2.537 9.764 484 1HG2 VAL 61 1HG2 VAL 61 -4.590 -4.349 6.624 485 2HG2 VAL 61 2HG2 VAL 61 -2.799 -4.231 6.543 486 3HG2 VAL 61 3HG2 VAL 61 -3.586 -5.296 7.758 487 H THR 62 H THR 62 -6.740 -1.719 8.784 488 HA THR 62 HA THR 62 -8.811 -3.373 7.695 489 HB THR 62 HB THR 62 -8.787 -0.347 7.756 490 HG1 THR 62 HG1 THR 62 -8.006 -0.958 9.811 491 1HG2 THR 62 1HG2 THR 62 -11.149 -0.765 8.379 492 2HG2 THR 62 2HG2 THR 62 -10.752 -1.564 6.848 493 3HG2 THR 62 3HG2 THR 62 -10.846 -2.517 8.349 494 H LEU 63 H LEU 63 -8.650 -4.081 5.549 495 HA LEU 63 HA LEU 63 -7.376 -2.321 3.613 496 1HB LEU 63 1HB LEU 63 -7.034 -4.820 3.715 497 2HB LEU 63 2HB LEU 63 -8.741 -5.036 3.277 498 HG LEU 63 HG LEU 63 -7.086 -5.229 1.417 499 1HD1 LEU 63 1HD1 LEU 63 -9.459 -4.710 0.964 500 2HD1 LEU 63 2HD1 LEU 63 -9.107 -2.971 1.109 501 3HD1 LEU 63 3HD1 LEU 63 -8.388 -3.914 -0.216 502 1HD2 LEU 63 1HD2 LEU 63 -5.560 -3.421 2.137 503 2HD2 LEU 63 2HD2 LEU 63 -6.146 -3.117 0.484 504 3HD2 LEU 63 3HD2 LEU 63 -6.836 -2.215 1.851 505 H ILE 64 H ILE 64 -8.306 -0.798 2.872 506 HA ILE 64 HA ILE 64 -11.229 -0.533 2.593 507 HB ILE 64 HB ILE 64 -8.793 1.304 2.583 508 1HG1 ILE 64 1HG1 ILE 64 -11.195 0.843 4.361 509 2HG1 ILE 64 2HG1 ILE 64 -9.478 0.716 4.791 510 1HG2 ILE 64 1HG2 ILE 64 -11.680 2.021 2.007 511 2HG2 ILE 64 2HG2 ILE 64 -10.367 3.188 2.306 512 3HG2 ILE 64 3HG2 ILE 64 -10.313 2.137 0.869 513 1HD1 ILE 64 1HD1 ILE 64 -9.184 3.147 4.342 514 2HD1 ILE 64 2HD1 ILE 64 -10.940 3.289 4.014 515 3HD1 ILE 64 3HD1 ILE 64 -10.356 2.831 5.648 516 H ALA 65 H ALA 65 -12.114 0.151 0.670 517 HA ALA 65 HA ALA 65 -10.339 0.523 -1.643 518 1HB ALA 65 1HB ALA 65 -11.085 -1.846 -1.808 519 2HB ALA 65 2HB ALA 65 -12.779 -1.303 -1.683 520 3HB ALA 65 3HB ALA 65 -11.794 -0.837 -3.095 521 H GLN 66 H GLN 66 -10.696 2.594 -1.916 522 HA GLN 66 HA GLN 66 -13.493 3.506 -1.612 523 1HB GLN 66 1HB GLN 66 -11.705 4.362 -0.015 524 2HB GLN 66 2HB GLN 66 -10.799 4.952 -1.415 525 1HG GLN 66 1HG GLN 66 -13.327 5.998 -1.812 526 2HG GLN 66 2HG GLN 66 -13.114 6.095 -0.044 527 1HE2 GLN 66 2HE2 GLN 66 -11.238 6.601 -3.072 528 2HE2 GLN 66 1HE2 GLN 66 -10.397 8.055 -2.522 529 H GLY 67 H GLY 67 -13.749 2.538 -3.712 530 1HA GLY 67 1HA GLY 67 -13.574 4.605 -5.734 531 2HA GLY 67 2HA GLY 67 -12.628 3.150 -6.113 532 H GLU 68 H GLU 68 -14.099 2.944 -7.939 533 HA GLU 68 HA GLU 68 -16.895 2.742 -7.680 534 1HB GLU 68 1HB GLU 68 -15.096 1.488 -9.782 535 2HB GLU 68 2HB GLU 68 -16.818 1.909 -9.963 536 1HG GLU 68 1HG GLU 68 -14.520 3.847 -9.456 537 2HG GLU 68 2HG GLU 68 -15.354 3.612 -11.006 538 H ASP 69 H ASP 69 -14.426 0.271 -6.872 539 HA ASP 69 HA ASP 69 -16.685 -1.703 -6.925 540 1HB ASP 69 1HB ASP 69 -13.736 -2.320 -6.904 541 2HB ASP 69 2HB ASP 69 -15.079 -3.441 -7.072 542 H GLU 70 H GLU 70 -15.748 0.483 -4.915 543 HA GLU 70 HA GLU 70 -14.128 -0.065 -3.046 544 1HB GLU 70 1HB GLU 70 -15.706 0.979 -1.415 545 2HB GLU 70 2HB GLU 70 -15.476 1.787 -2.975 546 1HG GLU 70 1HG GLU 70 -17.622 1.929 -3.281 547 2HG GLU 70 2HG GLU 70 -17.681 0.168 -3.455 548 H GLN 71 H GLN 71 -17.341 -1.202 -1.900 549 HA GLN 71 HA GLN 71 -16.428 -2.839 0.065 550 1HB GLN 71 1HB GLN 71 -18.759 -2.156 -0.445 551 2HB GLN 71 2HB GLN 71 -18.815 -3.352 -1.753 552 1HG GLN 71 1HG GLN 71 -19.874 -4.108 0.392 553 2HG GLN 71 2HG GLN 71 -18.566 -5.170 -0.163 554 1HE2 GLN 71 2HE2 GLN 71 -16.546 -5.154 0.909 555 2HE2 GLN 71 1HE2 GLN 71 -16.453 -4.615 2.586 556 H GLU 72 H GLU 72 -16.666 -3.694 -3.367 557 HA GLU 72 HA GLU 72 -16.250 -6.552 -3.128 558 1HB GLU 72 1HB GLU 72 -17.373 -5.723 -5.064 559 2HB GLU 72 2HB GLU 72 -16.248 -4.348 -5.192 560 1HG GLU 72 1HG GLU 72 -15.773 -5.765 -7.003 561 2HG GLU 72 2HG GLU 72 -14.435 -5.898 -5.858 562 H ALA 73 H ALA 73 -14.296 -3.644 -3.802 563 HA ALA 73 HA ALA 73 -11.869 -4.944 -4.508 564 1HB ALA 73 1HB ALA 73 -12.643 -2.178 -3.494 565 2HB ALA 73 2HB ALA 73 -11.049 -2.570 -4.195 566 3HB ALA 73 3HB ALA 73 -12.527 -2.683 -5.190 567 H LEU 74 H LEU 74 -12.937 -3.213 -1.566 568 HA LEU 74 HA LEU 74 -10.652 -3.937 -0.028 569 1HB LEU 74 1HB LEU 74 -12.006 -3.097 1.888 570 2HB LEU 74 2HB LEU 74 -11.950 -2.036 0.461 571 HG LEU 74 HG LEU 74 -14.188 -3.618 -0.018 572 1HD1 LEU 74 1HD2 LEU 74 -14.063 -2.614 2.859 573 2HD1 LEU 74 2HD2 LEU 74 -15.527 -3.197 2.026 574 3HD1 LEU 74 3HD2 LEU 74 -14.180 -4.321 2.342 575 1HD2 LEU 74 1HD1 LEU 74 -13.809 -0.813 1.119 576 2HD2 LEU 74 2HD1 LEU 74 -13.756 -1.278 -0.595 577 3HD2 LEU 74 3HD1 LEU 74 -15.278 -1.409 0.303 578 H GLU 75 H GLU 75 -13.792 -5.641 -0.511 579 HA GLU 75 HA GLU 75 -13.341 -7.676 1.411 580 1HB GLU 75 1HB GLU 75 -14.712 -7.669 -1.303 581 2HB GLU 75 2HB GLU 75 -14.661 -9.109 -0.262 582 1HG GLU 75 1HG GLU 75 -15.763 -7.911 1.561 583 2HG GLU 75 2HG GLU 75 -15.718 -6.412 0.600 584 H LYS 76 H LYS 76 -12.454 -7.687 -2.121 585 HA LYS 76 HA LYS 76 -11.204 -10.248 -1.986 586 1HB LYS 76 1HB LYS 76 -10.334 -7.989 -3.824 587 2HB LYS 76 2HB LYS 76 -10.170 -9.739 -4.066 588 1HG LYS 76 1HG LYS 76 -12.816 -9.673 -3.837 589 2HG LYS 76 2HG LYS 76 -12.579 -7.985 -4.312 590 1HD LYS 76 1HD LYS 76 -11.919 -10.587 -5.759 591 2HD LYS 76 2HD LYS 76 -12.867 -9.230 -6.378 592 1HE LYS 76 1HE LYS 76 -10.742 -7.906 -6.632 593 2HE LYS 76 2HE LYS 76 -9.828 -9.252 -5.930 594 1HZ LYS 76 1HZ LYS 76 -11.391 -9.327 -8.409 595 2HZ LYS 76 2HZ LYS 76 -9.750 -9.236 -8.301 596 3HZ LYS 76 3HZ LYS 76 -10.536 -10.591 -7.778 597 H LEU 77 H LEU 77 -9.873 -6.962 -1.720 598 HA LEU 77 HA LEU 77 -7.190 -7.896 -1.440 599 1HB LEU 77 1HB LEU 77 -8.495 -5.233 -0.897 600 2HB LEU 77 2HB LEU 77 -6.752 -5.545 -0.704 601 HG LEU 77 HG LEU 77 -7.040 -4.677 -2.956 602 1HD1 LEU 77 1HD2 LEU 77 -6.877 -7.711 -3.016 603 2HD1 LEU 77 2HD2 LEU 77 -6.307 -6.602 -4.285 604 3HD1 LEU 77 3HD2 LEU 77 -5.496 -6.613 -2.691 605 1HD2 LEU 77 1HD1 LEU 77 -8.963 -6.994 -3.383 606 2HD2 LEU 77 2HD1 LEU 77 -9.441 -5.284 -3.322 607 3HD2 LEU 77 3HD1 LEU 77 -8.384 -5.879 -4.641 608 H ALA 78 H ALA 78 -9.496 -6.769 1.141 609 HA ALA 78 HA ALA 78 -7.544 -7.258 3.200 610 1HB ALA 78 1HB ALA 78 -9.474 -5.792 3.644 611 2HB ALA 78 2HB ALA 78 -10.576 -7.182 3.471 612 3HB ALA 78 3HB ALA 78 -9.389 -7.122 4.789 613 H ALA 79 H ALA 79 -9.904 -9.322 1.519 614 HA ALA 79 HA ALA 79 -9.682 -11.611 3.221 615 1HB ALA 79 1HB ALA 79 -11.273 -11.311 1.266 616 2HB ALA 79 2HB ALA 79 -9.861 -11.437 0.180 617 3HB ALA 79 3HB ALA 79 -10.341 -12.835 1.177 618 H TYR 80 H TYR 80 -8.012 -10.640 0.266 619 HA TYR 80 HA TYR 80 -6.133 -12.632 -0.116 620 1HB TYR 80 1HB TYR 80 -6.855 -10.842 -1.622 621 2HB TYR 80 2HB TYR 80 -6.121 -9.628 -0.577 622 HD1 TYR 80 HD1 TYR 80 -3.506 -9.936 -0.151 623 HD2 TYR 80 HD2 TYR 80 -5.691 -11.402 -3.556 624 HE1 TYR 80 HE1 TYR 80 -1.411 -9.934 -1.492 625 HE2 TYR 80 HE2 TYR 80 -3.601 -11.353 -4.911 626 HH TYR 80 HH TYR 80 -0.579 -10.068 -3.569 627 H VAL 81 H VAL 81 -5.421 -9.452 1.231 628 HA VAL 81 HA VAL 81 -2.792 -9.587 1.903 629 HB VAL 81 HB VAL 81 -3.341 -7.875 3.643 630 1HG1 VAL 81 1HG1 VAL 81 -3.184 -7.271 1.253 631 2HG1 VAL 81 2HG1 VAL 81 -4.916 -7.642 1.061 632 3HG1 VAL 81 3HG1 VAL 81 -4.407 -6.291 2.103 633 1HG2 VAL 81 1HG2 VAL 81 -5.425 -8.952 4.465 634 2HG2 VAL 81 2HG2 VAL 81 -5.729 -7.273 3.972 635 3HG2 VAL 81 3HG2 VAL 81 -6.209 -8.621 2.910 636 H GLN 82 H GLN 82 -5.400 -10.989 3.892 637 HA GLN 82 HA GLN 82 -3.327 -11.520 5.975 638 1HB GLN 82 1HB GLN 82 -5.188 -11.417 7.521 639 2HB GLN 82 2HB GLN 82 -5.289 -10.026 6.432 640 1HG GLN 82 1HG GLN 82 -7.022 -11.242 5.116 641 2HG GLN 82 2HG GLN 82 -6.806 -12.647 6.165 642 1HE2 GLN 82 2HE2 GLN 82 -8.613 -10.017 5.651 643 2HE2 GLN 82 1HE2 GLN 82 -9.266 -9.633 7.254 644 H GLU 83 H GLU 83 -4.398 -13.114 3.404 645 HA GLU 83 HA GLU 83 -5.202 -15.534 4.930 646 1HB GLU 83 1HB GLU 83 -6.836 -14.277 3.528 647 2HB GLU 83 2HB GLU 83 -5.857 -14.598 2.099 648 1HG GLU 83 1HG GLU 83 -6.954 -16.873 3.773 649 2HG GLU 83 2HG GLU 83 -7.887 -16.087 2.479 650 H GLU 84 H GLU 84 -3.868 -14.760 1.711 651 HA GLU 84 HA GLU 84 -2.868 -17.464 1.442 652 1HB GLU 84 1HB GLU 84 -2.319 -16.559 -0.867 653 2HB GLU 84 2HB GLU 84 -4.029 -16.376 -0.348 654 1HG GLU 84 1HG GLU 84 -3.270 -14.135 0.661 655 2HG GLU 84 2HG GLU 84 -1.841 -14.280 -0.333 656 H VAL 85 H VAL 85 -1.468 -16.500 3.412 657 HA VAL 85 HA VAL 85 0.692 -15.455 3.952 658 HB VAL 85 HB VAL 85 2.062 -17.571 4.413 659 1HG1 VAL 85 1HG1 VAL 85 -0.917 -17.917 5.202 660 2HG1 VAL 85 2HG1 VAL 85 0.460 -18.784 5.928 661 3HG1 VAL 85 3HG1 VAL 85 0.323 -17.048 6.138 662 1HG2 VAL 85 1HG2 VAL 85 1.445 -18.932 2.365 663 2HG2 VAL 85 2HG2 VAL 85 1.181 -19.828 3.865 664 3HG2 VAL 85 3HG2 VAL 85 -0.208 -19.132 2.992 Start of MODEL 16 1 1H VAL 2 1H VAL 2 -16.153 6.422 -2.425 2 2H VAL 2 2H VAL 2 -16.979 5.133 -3.122 3 3H VAL 2 3H VAL 2 -17.757 6.607 -2.895 4 HA VAL 2 HA VAL 2 -17.597 6.392 -0.536 5 HB VAL 2 HB VAL 2 -19.113 4.430 -0.272 6 1HG1 VAL 2 1HG2 VAL 2 -19.665 6.230 -2.662 7 2HG1 VAL 2 2HG2 VAL 2 -20.889 5.278 -1.786 8 3HG1 VAL 2 3HG2 VAL 2 -20.023 6.596 -0.958 9 1HG2 VAL 2 1HG1 VAL 2 -18.051 2.936 -1.917 10 2HG2 VAL 2 2HG1 VAL 2 -19.784 3.153 -2.271 11 3HG2 VAL 2 3HG1 VAL 2 -18.561 4.008 -3.240 12 H GLN 3 H GLN 3 -16.620 5.459 1.255 13 HA GLN 3 HA GLN 3 -14.544 3.440 0.580 14 1HB GLN 3 1HB GLN 3 -13.906 5.808 1.503 15 2HB GLN 3 2HB GLN 3 -14.655 5.246 3.012 16 1HG GLN 3 1HG GLN 3 -13.087 3.157 2.665 17 2HG GLN 3 2HG GLN 3 -12.125 4.275 1.684 18 1HE2 GLN 3 2HE2 GLN 3 -12.389 6.708 3.047 19 2HE2 GLN 3 1HE2 GLN 3 -11.772 6.510 4.680 20 H GLN 4 H GLN 4 -14.445 1.561 1.632 21 HA GLN 4 HA GLN 4 -15.690 1.204 4.277 22 1HB GLN 4 1HB GLN 4 -16.380 -0.357 1.771 23 2HB GLN 4 2HB GLN 4 -16.480 -1.107 3.381 24 1HG GLN 4 1HG GLN 4 -17.933 1.442 2.577 25 2HG GLN 4 2HG GLN 4 -18.665 -0.175 2.683 26 1HE2 GLN 4 2HE2 GLN 4 -17.399 2.552 4.496 27 2HE2 GLN 4 1HE2 GLN 4 -17.952 1.998 6.080 28 H LYS 5 H LYS 5 -14.610 -0.813 5.340 29 HA LYS 5 HA LYS 5 -12.387 -1.926 3.833 30 1HB LYS 5 1HB LYS 5 -10.867 -1.167 5.843 31 2HB LYS 5 2HB LYS 5 -11.163 -0.131 4.445 32 1HG LYS 5 1HG LYS 5 -11.359 1.265 6.385 33 2HG LYS 5 2HG LYS 5 -12.961 1.054 5.658 34 1HD LYS 5 1HD LYS 5 -13.421 -0.753 7.374 35 2HD LYS 5 2HD LYS 5 -11.839 -0.370 8.102 36 1HE LYS 5 1HE LYS 5 -12.504 1.992 8.367 37 2HE LYS 5 2HE LYS 5 -14.152 1.568 7.847 38 1HZ LYS 5 1HZ LYS 5 -12.715 0.438 10.153 39 2HZ LYS 5 2HZ LYS 5 -13.907 1.574 10.232 40 3HZ LYS 5 3HZ LYS 5 -14.252 0.049 9.705 41 H VAL 6 H VAL 6 -11.643 -3.811 4.682 42 HA VAL 6 HA VAL 6 -13.048 -4.822 7.121 43 HB VAL 6 HB VAL 6 -13.050 -7.065 6.014 44 1HG1 VAL 6 1HG2 VAL 6 -15.052 -5.579 5.977 45 2HG1 VAL 6 2HG2 VAL 6 -14.497 -4.910 4.423 46 3HG1 VAL 6 3HG2 VAL 6 -14.952 -6.626 4.542 47 1HG2 VAL 6 1HG1 VAL 6 -12.244 -5.445 3.560 48 2HG2 VAL 6 2HG1 VAL 6 -11.258 -6.676 4.379 49 3HG2 VAL 6 3HG1 VAL 6 -12.756 -7.154 3.542 50 H GLU 7 H GLU 7 -11.554 -5.405 8.703 51 HA GLU 7 HA GLU 7 -8.745 -5.258 7.900 52 1HB GLU 7 1HB GLU 7 -9.950 -5.883 10.646 53 2HB GLU 7 2HB GLU 7 -8.292 -5.376 10.297 54 1HG GLU 7 1HG GLU 7 -9.342 -3.485 11.206 55 2HG GLU 7 2HG GLU 7 -9.261 -3.148 9.479 56 H VAL 8 H VAL 8 -7.139 -6.709 8.435 57 HA VAL 8 HA VAL 8 -7.735 -9.475 9.139 58 HB VAL 8 HB VAL 8 -6.551 -10.211 6.891 59 1HG1 VAL 8 1HG1 VAL 8 -9.364 -9.107 6.946 60 2HG1 VAL 8 2HG1 VAL 8 -8.689 -10.268 5.757 61 3HG1 VAL 8 3HG1 VAL 8 -8.835 -10.731 7.466 62 1HG2 VAL 8 1HG2 VAL 8 -7.633 -7.423 6.231 63 2HG2 VAL 8 2HG2 VAL 8 -5.925 -7.920 6.148 64 3HG2 VAL 8 3HG2 VAL 8 -7.108 -8.631 5.021 65 H ARG 9 H ARG 9 -5.563 -10.703 9.037 66 HA ARG 9 HA ARG 9 -3.501 -8.839 10.093 67 1HB ARG 9 1HB ARG 9 -3.612 -10.935 11.310 68 2HB ARG 9 2HB ARG 9 -3.542 -11.851 9.771 69 1HG ARG 9 1HG ARG 9 -1.235 -10.633 9.473 70 2HG ARG 9 2HG ARG 9 -1.345 -10.444 11.241 71 1HD ARG 9 1HD ARG 9 -0.179 -12.547 10.513 72 2HD ARG 9 2HD ARG 9 -1.632 -12.877 11.482 73 HE ARG 9 HE ARG 9 -2.597 -12.929 8.922 74 1HH1 ARG 9 1HH2 ARG 9 0.153 -14.552 10.447 75 2HH1 ARG 9 2HH2 ARG 9 0.059 -15.952 9.410 76 1HH2 ARG 9 2HH1 ARG 9 -2.747 -14.779 7.596 77 2HH2 ARG 9 1HH1 ARG 9 -1.523 -16.001 7.660 78 H LEU 10 H LEU 10 -2.211 -7.915 8.824 79 HA LEU 10 HA LEU 10 -2.053 -8.207 6.018 80 1HB LEU 10 1HB LEU 10 -1.744 -6.166 7.355 81 2HB LEU 10 2HB LEU 10 -0.368 -6.900 8.195 82 HG LEU 10 HG LEU 10 0.908 -6.962 6.111 83 1HD1 LEU 10 1HD1 LEU 10 -1.524 -5.487 4.997 84 2HD1 LEU 10 2HD1 LEU 10 0.031 -5.712 4.151 85 3HD1 LEU 10 3HD1 LEU 10 -0.993 -7.122 4.530 86 1HD2 LEU 10 1HD2 LEU 10 0.834 -5.117 7.817 87 2HD2 LEU 10 2HD2 LEU 10 1.334 -4.586 6.195 88 3HD2 LEU 10 3HD2 LEU 10 -0.324 -4.247 6.776 89 H LYS 11 H LYS 11 -1.654 -10.681 6.278 90 HA LYS 11 HA LYS 11 0.957 -11.588 7.125 91 1HB LYS 11 1HB LYS 11 -0.719 -13.086 7.509 92 2HB LYS 11 2HB LYS 11 -1.590 -12.780 6.006 93 1HG LYS 11 1HG LYS 11 1.160 -14.096 6.108 94 2HG LYS 11 2HG LYS 11 -0.371 -14.997 6.197 95 1HD LYS 11 1HD LYS 11 0.672 -13.304 3.894 96 2HD LYS 11 2HD LYS 11 0.214 -15.022 3.878 97 1HE LYS 11 1HE LYS 11 -2.160 -14.359 4.331 98 2HE LYS 11 2HE LYS 11 -1.621 -12.655 4.367 99 1HZ LYS 11 1HZ LYS 11 -0.897 -12.898 2.116 100 2HZ LYS 11 2HZ LYS 11 -1.560 -14.407 2.030 101 3HZ LYS 11 3HZ LYS 11 -2.518 -13.097 2.288 102 H THR 12 H THR 12 -0.413 -10.393 4.112 103 HA THR 12 HA THR 12 1.607 -11.373 2.329 104 HB THR 12 HB THR 12 1.001 -9.172 1.120 105 HG1 THR 12 HG1 THR 12 -0.782 -8.084 1.989 106 1HG2 THR 12 1HG2 THR 12 -1.343 -10.957 1.939 107 2HG2 THR 12 2HG2 THR 12 -1.168 -10.042 0.415 108 3HG2 THR 12 3HG2 THR 12 -0.104 -11.424 0.755 109 H GLY 13 H GLY 13 1.192 -8.523 4.415 110 1HA GLY 13 1HA GLY 13 2.526 -6.889 5.222 111 2HA GLY 13 2HA GLY 13 3.803 -8.103 5.369 112 H LEU 14 H LEU 14 2.298 -7.197 2.400 113 HA LEU 14 HA LEU 14 3.172 -6.369 0.371 114 1HB LEU 14 1HB LEU 14 3.235 -4.324 2.533 115 2HB LEU 14 2HB LEU 14 3.591 -3.840 0.886 116 HG LEU 14 HG LEU 14 1.198 -3.512 1.611 117 1HD1 LEU 14 1HD2 LEU 14 1.599 -5.346 -0.752 118 2HD1 LEU 14 2HD2 LEU 14 0.154 -4.354 -0.437 119 3HD1 LEU 14 3HD2 LEU 14 1.717 -3.571 -0.739 120 1HD2 LEU 14 1HD1 LEU 14 0.883 -5.605 2.903 121 2HD2 LEU 14 2HD1 LEU 14 -0.358 -5.380 1.646 122 3HD2 LEU 14 3HD1 LEU 14 0.975 -6.533 1.384 123 H GLN 15 H GLN 15 5.167 -7.944 0.916 124 HA GLN 15 HA GLN 15 7.640 -6.358 1.327 125 1HB GLN 15 1HB GLN 15 7.099 -9.340 1.156 126 2HB GLN 15 2HB GLN 15 8.701 -8.624 1.460 127 1HG GLN 15 1HG GLN 15 7.997 -7.702 3.546 128 2HG GLN 15 2HG GLN 15 6.282 -7.903 3.150 129 1HE2 GLN 15 1HE2 GLN 15 5.229 -9.833 3.600 130 2HE2 GLN 15 2HE2 GLN 15 6.017 -11.249 4.230 131 H ALA 16 H ALA 16 5.959 -8.405 -1.075 132 HA ALA 16 HA ALA 16 6.958 -6.787 -3.228 133 1HB ALA 16 1HB ALA 16 9.062 -7.948 -2.690 134 2HB ALA 16 2HB ALA 16 8.262 -9.519 -2.948 135 3HB ALA 16 3HB ALA 16 8.458 -8.383 -4.307 136 H ARG 17 H ARG 17 6.055 -10.198 -2.575 137 HA ARG 17 HA ARG 17 4.866 -10.373 -5.247 138 1HB ARG 17 1HB ARG 17 4.777 -12.474 -3.062 139 2HB ARG 17 2HB ARG 17 4.546 -12.703 -4.807 140 1HG ARG 17 1HG ARG 17 6.782 -13.108 -4.966 141 2HG ARG 17 2HG ARG 17 7.050 -11.408 -4.510 142 1HD ARG 17 1HD ARG 17 6.870 -12.080 -2.096 143 2HD ARG 17 2HD ARG 17 6.786 -13.775 -2.606 144 HE ARG 17 HE ARG 17 9.043 -13.569 -3.521 145 1HH1 ARG 17 2HH1 ARG 17 7.943 -10.978 -1.367 146 2HH1 ARG 17 1HH1 ARG 17 9.553 -10.400 -1.015 147 1HH2 ARG 17 1HH2 ARG 17 11.154 -12.866 -3.008 148 2HH2 ARG 17 2HH2 ARG 17 11.411 -11.523 -1.929 149 HA PRO 18 HA PRO 18 0.725 -10.905 -2.929 150 1HB PRO 18 1HB PRO 18 0.671 -10.686 -0.206 151 2HB PRO 18 2HB PRO 18 0.986 -12.259 -1.017 152 1HG PRO 18 1HG PRO 18 3.057 -10.239 -0.039 153 2HG PRO 18 2HG PRO 18 2.947 -11.970 0.380 154 1HD PRO 18 1HD PRO 18 4.568 -11.165 -1.615 155 2HD PRO 18 2HD PRO 18 3.529 -12.601 -1.889 156 H ALA 19 H ALA 19 3.231 -8.816 -1.536 157 HA ALA 19 HA ALA 19 1.734 -6.528 -0.888 158 1HB ALA 19 1HB ALA 19 4.209 -6.943 -0.691 159 2HB ALA 19 2HB ALA 19 4.279 -6.826 -2.480 160 3HB ALA 19 3HB ALA 19 3.812 -5.391 -1.512 161 H ALA 20 H ALA 20 3.220 -7.518 -3.996 162 HA ALA 20 HA ALA 20 2.239 -5.327 -5.548 163 1HB ALA 20 1HB ALA 20 3.168 -8.118 -6.334 164 2HB ALA 20 2HB ALA 20 2.967 -6.748 -7.454 165 3HB ALA 20 3HB ALA 20 4.203 -6.686 -6.169 166 H LEU 21 H LEU 21 1.100 -8.659 -4.953 167 HA LEU 21 HA LEU 21 -1.069 -8.496 -6.821 168 1HB LEU 21 1HB LEU 21 -0.133 -10.578 -5.801 169 2HB LEU 21 2HB LEU 21 -1.055 -10.228 -4.326 170 HG LEU 21 HG LEU 21 -2.326 -10.332 -7.100 171 1HD1 LEU 21 1HD1 LEU 21 -1.927 -12.616 -5.132 172 2HD1 LEU 21 2HD1 LEU 21 -2.916 -12.683 -6.612 173 3HD1 LEU 21 3HD1 LEU 21 -1.155 -12.453 -6.725 174 1HD2 LEU 21 1HD2 LEU 21 -3.671 -9.323 -5.272 175 2HD2 LEU 21 2HD2 LEU 21 -4.374 -10.865 -5.813 176 3HD2 LEU 21 3HD2 LEU 21 -3.443 -10.796 -4.299 177 H PHE 22 H PHE 22 -0.914 -7.824 -3.350 178 HA PHE 22 HA PHE 22 -3.502 -7.010 -2.701 179 1HB PHE 22 1HB PHE 22 -1.743 -7.318 -1.165 180 2HB PHE 22 2HB PHE 22 -0.696 -6.137 -1.943 181 HD1 PHE 22 HD1 PHE 22 -2.643 -6.626 0.904 182 HD2 PHE 22 HD2 PHE 22 -1.589 -3.623 -1.984 183 HE1 PHE 22 HE1 PHE 22 -2.985 -4.864 2.615 184 HE2 PHE 22 HE2 PHE 22 -1.918 -1.871 -0.309 185 HZ PHE 22 HZ PHE 22 -2.650 -2.469 2.013 186 H VAL 23 H VAL 23 -0.754 -4.864 -3.530 187 HA VAL 23 HA VAL 23 -2.305 -2.519 -3.812 188 HB VAL 23 HB VAL 23 0.385 -3.389 -4.911 189 1HG1 VAL 23 1HG2 VAL 23 -0.835 -0.599 -4.897 190 2HG1 VAL 23 2HG2 VAL 23 0.837 -1.002 -5.344 191 3HG1 VAL 23 3HG2 VAL 23 -0.511 -1.576 -6.350 192 1HG2 VAL 23 1HG1 VAL 23 0.122 -3.153 -2.423 193 2HG2 VAL 23 2HG1 VAL 23 1.221 -1.926 -3.099 194 3HG2 VAL 23 3HG1 VAL 23 -0.442 -1.484 -2.669 195 H GLN 24 H GLN 24 -1.452 -5.042 -6.220 196 HA GLN 24 HA GLN 24 -2.453 -3.417 -8.371 197 1HB GLN 24 1HB GLN 24 -1.997 -5.147 -9.844 198 2HB GLN 24 2HB GLN 24 -0.664 -4.972 -8.697 199 1HG GLN 24 1HG GLN 24 -0.861 -7.263 -9.042 200 2HG GLN 24 2HG GLN 24 -1.643 -6.999 -7.470 201 1HE2 GLN 24 1HE2 GLN 24 -3.671 -7.862 -7.254 202 2HE2 GLN 24 2HE2 GLN 24 -4.754 -8.172 -8.604 203 H GLU 25 H GLU 25 -4.048 -5.944 -6.365 204 HA GLU 25 HA GLU 25 -6.366 -5.659 -8.186 205 1HB GLU 25 1HB GLU 25 -7.526 -7.063 -6.384 206 2HB GLU 25 2HB GLU 25 -6.171 -7.873 -7.185 207 1HG GLU 25 1HG GLU 25 -4.716 -7.481 -5.297 208 2HG GLU 25 2HG GLU 25 -5.885 -6.373 -4.559 209 H ALA 26 H ALA 26 -5.321 -4.405 -5.010 210 HA ALA 26 HA ALA 26 -7.649 -2.964 -4.309 211 1HB ALA 26 1HB ALA 26 -4.712 -2.128 -4.264 212 2HB ALA 26 2HB ALA 26 -6.017 -1.353 -3.334 213 3HB ALA 26 3HB ALA 26 -5.543 -3.037 -2.976 214 H ASN 27 H ASN 27 -5.038 -2.273 -6.590 215 HA ASN 27 HA ASN 27 -5.910 0.291 -7.565 216 1HB ASN 27 1HB ASN 27 -3.945 -1.860 -8.149 217 2HB ASN 27 2HB ASN 27 -4.469 -0.964 -9.569 218 1HD2 ASN 27 2HD2 ASN 27 -2.376 -0.936 -6.919 219 2HD2 ASN 27 1HD2 ASN 27 -1.875 0.749 -6.887 220 H ARG 28 H ARG 28 -6.465 -3.019 -8.458 221 HA ARG 28 HA ARG 28 -7.387 -2.797 -11.165 222 1HB ARG 28 1HB ARG 28 -7.575 -4.616 -8.761 223 2HB ARG 28 2HB ARG 28 -8.475 -5.057 -10.190 224 1HG ARG 28 1HG ARG 28 -6.437 -5.015 -11.561 225 2HG ARG 28 2HG ARG 28 -5.526 -4.314 -10.221 226 1HD ARG 28 1HD ARG 28 -5.018 -6.701 -10.637 227 2HD ARG 28 2HD ARG 28 -5.544 -6.349 -8.992 228 HE ARG 28 HE ARG 28 -7.886 -7.093 -9.967 229 1HH1 ARG 28 1HH2 ARG 28 -4.709 -8.457 -10.769 230 2HH1 ARG 28 2HH2 ARG 28 -5.322 -10.060 -11.052 231 1HH2 ARG 28 2HH1 ARG 28 -8.694 -9.198 -10.351 232 2HH2 ARG 28 1HH1 ARG 28 -7.621 -10.482 -10.833 233 H PHE 29 H PHE 29 -8.818 -3.084 -8.025 234 HA PHE 29 HA PHE 29 -11.518 -2.407 -8.488 235 1HB PHE 29 1HB PHE 29 -9.455 -2.456 -6.307 236 2HB PHE 29 2HB PHE 29 -10.980 -1.705 -5.960 237 HD1 PHE 29 HD1 PHE 29 -9.300 -4.691 -5.664 238 HD2 PHE 29 HD2 PHE 29 -12.879 -3.294 -7.554 239 HE1 PHE 29 HE1 PHE 29 -10.160 -7.025 -5.744 240 HE2 PHE 29 HE2 PHE 29 -13.714 -5.619 -7.720 241 HZ PHE 29 HZ PHE 29 -12.387 -7.486 -6.782 242 H THR 30 H THR 30 -12.338 -0.616 -9.097 243 HA THR 30 HA THR 30 -10.726 1.786 -9.574 244 HB THR 30 HB THR 30 -13.659 1.119 -10.027 245 HG1 THR 30 HG1 THR 30 -11.912 -0.037 -11.192 246 1HG2 THR 30 1HG2 THR 30 -12.015 3.402 -11.180 247 2HG2 THR 30 2HG2 THR 30 -13.735 3.036 -11.497 248 3HG2 THR 30 3HG2 THR 30 -13.214 3.549 -9.870 249 H SER 31 H SER 31 -10.529 1.478 -6.981 250 HA SER 31 HA SER 31 -12.338 3.413 -5.661 251 1HB SER 31 1HB SER 31 -11.185 0.796 -4.618 252 2HB SER 31 2HB SER 31 -12.329 1.851 -3.763 253 HG SER 31 HG SER 31 -13.166 -0.097 -4.934 254 H ASP 32 H ASP 32 -11.461 4.592 -4.003 255 HA ASP 32 HA ASP 32 -8.586 4.977 -3.904 256 1HB ASP 32 1HB ASP 32 -10.860 5.746 -2.044 257 2HB ASP 32 2HB ASP 32 -9.215 6.406 -1.926 258 H VAL 33 H VAL 33 -8.095 2.652 -3.625 259 HA VAL 33 HA VAL 33 -9.097 1.233 -1.343 260 HB VAL 33 HB VAL 33 -6.776 0.659 -3.216 261 1HG1 VAL 33 1HG1 VAL 33 -6.684 -0.560 -1.008 262 2HG1 VAL 33 2HG1 VAL 33 -8.316 -1.194 -1.335 263 3HG1 VAL 33 3HG1 VAL 33 -6.959 -1.643 -2.395 264 1HG2 VAL 33 1HG2 VAL 33 -9.026 0.967 -4.202 265 2HG2 VAL 33 2HG2 VAL 33 -8.533 -0.743 -4.285 266 3HG2 VAL 33 3HG2 VAL 33 -9.696 -0.197 -3.036 267 H PHE 34 H PHE 34 -8.223 0.762 0.570 268 HA PHE 34 HA PHE 34 -5.825 2.327 1.334 269 1HB PHE 34 1HB PHE 34 -8.355 2.314 3.008 270 2HB PHE 34 2HB PHE 34 -6.852 3.186 3.306 271 HD1 PHE 34 HD1 PHE 34 -9.912 4.101 2.957 272 HD2 PHE 34 HD2 PHE 34 -6.371 4.277 0.517 273 HE1 PHE 34 HE1 PHE 34 -10.817 6.098 1.781 274 HE2 PHE 34 HE2 PHE 34 -7.204 6.341 -0.562 275 HZ PHE 34 HZ PHE 34 -9.481 7.217 0.023 276 H LEU 35 H LEU 35 -5.056 1.770 3.540 277 HA LEU 35 HA LEU 35 -5.873 -0.891 4.527 278 1HB LEU 35 1HB LEU 35 -3.799 -1.224 3.086 279 2HB LEU 35 2HB LEU 35 -2.945 -0.112 4.199 280 HG LEU 35 HG LEU 35 -3.545 -1.596 6.102 281 1HD1 LEU 35 1HD2 LEU 35 -5.611 -2.562 5.102 282 2HD1 LEU 35 2HD2 LEU 35 -4.610 -3.426 3.909 283 3HD1 LEU 35 3HD2 LEU 35 -4.482 -3.833 5.633 284 1HD2 LEU 35 1HD1 LEU 35 -1.387 -1.951 4.916 285 2HD2 LEU 35 2HD1 LEU 35 -2.062 -3.472 5.541 286 3HD2 LEU 35 3HD1 LEU 35 -2.194 -3.086 3.812 287 H GLU 36 H GLU 36 -6.195 -0.638 6.693 288 HA GLU 36 HA GLU 36 -5.079 1.856 7.935 289 1HB GLU 36 1HB GLU 36 -7.507 0.302 8.869 290 2HB GLU 36 2HB GLU 36 -7.007 1.958 9.308 291 1HG GLU 36 1HG GLU 36 -7.485 2.744 7.066 292 2HG GLU 36 2HG GLU 36 -7.863 1.136 6.501 293 H LYS 37 H LYS 37 -3.208 1.070 8.971 294 HA LYS 37 HA LYS 37 -3.149 -1.509 10.333 295 1HB LYS 37 1HB LYS 37 -1.322 0.933 10.315 296 2HB LYS 37 2HB LYS 37 -1.066 -0.461 11.373 297 1HG LYS 37 1HG LYS 37 -0.972 -1.993 9.504 298 2HG LYS 37 2HG LYS 37 -1.145 -0.620 8.394 299 1HD LYS 37 1HD LYS 37 1.274 -1.294 8.783 300 2HD LYS 37 2HD LYS 37 0.934 0.376 9.310 301 1HE LYS 37 1HE LYS 37 0.511 -0.512 11.636 302 2HE LYS 37 2HE LYS 37 1.052 -2.109 11.083 303 1HZ LYS 37 1HZ LYS 37 2.673 0.344 11.015 304 2HZ LYS 37 2HZ LYS 37 2.801 -0.864 12.132 305 3HZ LYS 37 3HZ LYS 37 3.152 -1.162 10.546 306 H ASP 38 H ASP 38 -5.111 -1.275 11.544 307 HA ASP 38 HA ASP 38 -6.287 -0.868 13.509 308 1HB ASP 38 1HB ASP 38 -3.509 -0.124 14.464 309 2HB ASP 38 2HB ASP 38 -4.920 -0.311 15.528 310 H GLY 39 H GLY 39 -5.955 1.249 11.480 311 1HA GLY 39 1HA GLY 39 -7.177 3.439 11.918 312 2HA GLY 39 2HA GLY 39 -6.037 3.623 13.277 313 H LYS 40 H LYS 40 -3.767 2.403 11.620 314 HA LYS 40 HA LYS 40 -2.849 4.886 10.432 315 1HB LYS 40 1HB LYS 40 -1.702 2.070 10.289 316 2HB LYS 40 2HB LYS 40 -0.841 3.592 9.976 317 1HG LYS 40 1HG LYS 40 -1.379 4.227 12.401 318 2HG LYS 40 2HG LYS 40 -1.908 2.533 12.627 319 1HD LYS 40 1HD LYS 40 0.491 2.885 13.272 320 2HD LYS 40 2HD LYS 40 0.309 1.733 11.931 321 1HE LYS 40 1HE LYS 40 0.858 3.471 10.299 322 2HE LYS 40 2HE LYS 40 0.904 4.704 11.572 323 1HZ LYS 40 1HZ LYS 40 2.755 3.528 12.545 324 2HZ LYS 40 2HZ LYS 40 2.720 2.405 11.339 325 3HZ LYS 40 3HZ LYS 40 3.095 3.974 10.999 326 H LYS 41 H LYS 41 -4.825 4.940 8.983 327 HA LYS 41 HA LYS 41 -4.749 3.023 6.765 328 1HB LYS 41 1HB LYS 41 -6.865 3.336 7.606 329 2HB LYS 41 2HB LYS 41 -6.646 5.061 7.816 330 1HG LYS 41 1HG LYS 41 -6.608 3.939 5.029 331 2HG LYS 41 2HG LYS 41 -8.169 4.148 5.833 332 1HD LYS 41 1HD LYS 41 -7.844 6.459 6.273 333 2HD LYS 41 2HD LYS 41 -6.124 6.406 5.852 334 1HE LYS 41 1HE LYS 41 -8.285 5.829 3.781 335 2HE LYS 41 2HE LYS 41 -7.723 7.473 4.157 336 1HZ LYS 41 1HZ LYS 41 -5.504 6.784 3.656 337 2HZ LYS 41 2HZ LYS 41 -6.033 5.273 3.251 338 3HZ LYS 41 3HZ LYS 41 -6.504 6.576 2.361 339 H VAL 42 H VAL 42 -4.230 3.267 4.868 340 HA VAL 42 HA VAL 42 -3.483 5.883 3.637 341 HB VAL 42 HB VAL 42 -1.311 4.852 2.997 342 1HG1 VAL 42 1HG2 VAL 42 -1.567 6.045 5.217 343 2HG1 VAL 42 2HG2 VAL 42 -1.916 4.461 5.952 344 3HG1 VAL 42 3HG2 VAL 42 -0.308 4.769 5.252 345 1HG2 VAL 42 1HG1 VAL 42 -2.301 2.508 4.688 346 2HG2 VAL 42 2HG1 VAL 42 -2.130 2.507 2.918 347 3HG2 VAL 42 3HG1 VAL 42 -0.684 2.645 3.950 348 H ASN 43 H ASN 43 -2.816 5.508 1.238 349 HA ASN 43 HA ASN 43 -4.854 3.963 -0.079 350 1HB ASN 43 1HB ASN 43 -2.249 5.240 -1.011 351 2HB ASN 43 2HB ASN 43 -3.382 4.408 -2.089 352 1HD2 ASN 43 2HD2 ASN 43 -3.034 6.550 -3.086 353 2HD2 ASN 43 1HD2 ASN 43 -4.173 7.839 -2.640 354 H ALA 44 H ALA 44 -4.880 2.031 0.270 355 HA ALA 44 HA ALA 44 -2.947 0.069 0.705 356 1HB ALA 44 1HB ALA 44 -5.574 -0.025 -0.854 357 2HB ALA 44 2HB ALA 44 -4.729 -1.475 -0.271 358 3HB ALA 44 3HB ALA 44 -5.404 -0.296 0.888 359 H LYS 45 H LYS 45 -4.344 1.292 -2.307 360 HA LYS 45 HA LYS 45 -2.726 -0.492 -3.983 361 1HB LYS 45 1HB LYS 45 -3.790 0.754 -5.845 362 2HB LYS 45 2HB LYS 45 -4.959 0.007 -4.736 363 1HG LYS 45 1HG LYS 45 -5.538 2.105 -3.754 364 2HG LYS 45 2HG LYS 45 -4.058 2.872 -4.373 365 1HD LYS 45 1HD LYS 45 -5.950 3.588 -5.762 366 2HD LYS 45 2HD LYS 45 -4.838 2.554 -6.693 367 1HE LYS 45 1HE LYS 45 -6.352 0.602 -6.218 368 2HE LYS 45 2HE LYS 45 -7.491 1.706 -5.421 369 1HZ LYS 45 1HZ LYS 45 -6.650 1.875 -8.226 370 2HZ LYS 45 2HZ LYS 45 -8.088 1.297 -7.668 371 3HZ LYS 45 3HZ LYS 45 -7.711 2.886 -7.458 372 H SER 46 H SER 46 -2.030 2.344 -2.325 373 HA SER 46 HA SER 46 -0.055 3.208 -4.353 374 1HB SER 46 1HB SER 46 -1.089 4.691 -1.904 375 2HB SER 46 2HB SER 46 0.012 5.338 -3.136 376 HG SER 46 HG SER 46 -1.795 4.844 -4.652 377 H ILE 47 H ILE 47 1.974 4.099 -3.287 378 HA ILE 47 HA ILE 47 3.508 2.173 -2.056 379 HB ILE 47 HB ILE 47 4.404 4.232 -3.093 380 1HG1 ILE 47 1HG1 ILE 47 5.151 2.886 -0.723 381 2HG1 ILE 47 2HG1 ILE 47 6.284 3.698 -1.778 382 1HG2 ILE 47 1HG2 ILE 47 2.609 5.746 -2.126 383 2HG2 ILE 47 2HG2 ILE 47 3.384 5.587 -0.551 384 3HG2 ILE 47 3HG2 ILE 47 4.245 6.410 -1.868 385 1HD1 ILE 47 1HD1 ILE 47 4.728 4.982 0.512 386 2HD1 ILE 47 2HD1 ILE 47 6.433 4.485 0.578 387 3HD1 ILE 47 3HD1 ILE 47 5.937 5.813 -0.500 388 H MET 48 H MET 48 1.758 4.836 -0.411 389 HA MET 48 HA MET 48 2.916 4.143 2.084 390 1HB MET 48 1HB MET 48 2.125 6.394 1.554 391 2HB MET 48 2HB MET 48 0.476 5.809 1.328 392 1HG MET 48 1HG MET 48 0.486 5.131 3.771 393 2HG MET 48 2HG MET 48 2.106 5.833 3.915 394 1HE MET 48 1HE MET 48 2.598 8.332 3.227 395 2HE MET 48 2HE MET 48 1.493 8.401 1.833 396 3HE MET 48 3HE MET 48 1.370 9.619 3.126 397 H GLY 49 H GLY 49 0.227 2.760 0.351 398 1HA GLY 49 1HA GLY 49 -0.713 1.341 2.728 399 2HA GLY 49 2HA GLY 49 -1.188 1.034 1.016 400 H LEU 50 H LEU 50 0.706 0.229 -0.431 401 HA LEU 50 HA LEU 50 1.615 -2.249 0.300 402 1HB LEU 50 1HB LEU 50 1.617 -1.439 -1.955 403 2HB LEU 50 2HB LEU 50 2.684 -0.093 -1.521 404 HG LEU 50 HG LEU 50 4.562 -1.581 -1.172 405 1HD1 LEU 50 1HD2 LEU 50 2.681 -3.827 -2.035 406 2HD1 LEU 50 2HD2 LEU 50 4.437 -3.972 -1.791 407 3HD1 LEU 50 3HD2 LEU 50 3.371 -3.613 -0.417 408 1HD2 LEU 50 1HD1 LEU 50 3.060 -2.022 -3.784 409 2HD2 LEU 50 2HD1 LEU 50 4.124 -0.652 -3.406 410 3HD2 LEU 50 3HD1 LEU 50 4.806 -2.290 -3.558 411 H MET 51 H MET 51 3.844 0.605 0.219 412 HA MET 51 HA MET 51 5.798 -1.162 1.406 413 1HB MET 51 1HB MET 51 7.396 0.484 0.592 414 2HB MET 51 2HB MET 51 6.015 0.682 -0.474 415 1HG MET 51 1HG MET 51 6.564 2.818 0.064 416 2HG MET 51 2HG MET 51 5.275 2.506 1.230 417 1HE MET 51 1HE MET 51 7.675 0.515 2.845 418 2HE MET 51 2HE MET 51 8.958 1.051 1.724 419 3HE MET 51 3HE MET 51 9.028 1.502 3.444 420 H SER 52 H SER 52 3.795 1.632 2.380 421 HA SER 52 HA SER 52 5.252 1.855 4.869 422 1HB SER 52 1HB SER 52 2.607 3.172 4.217 423 2HB SER 52 2HB SER 52 3.836 3.693 5.390 424 HG SER 52 HG SER 52 5.265 3.876 3.497 425 H LEU 53 H LEU 53 1.667 1.570 4.706 426 HA LEU 53 HA LEU 53 1.633 0.507 7.394 427 1HB LEU 53 1HB LEU 53 -0.483 0.914 5.310 428 2HB LEU 53 2HB LEU 53 -0.795 0.174 6.896 429 HG LEU 53 HG LEU 53 -1.222 2.510 7.066 430 1HD1 LEU 53 1HD1 LEU 53 -0.154 1.429 9.003 431 2HD1 LEU 53 2HD1 LEU 53 1.446 1.925 8.382 432 3HD1 LEU 53 3HD1 LEU 53 0.258 3.154 8.882 433 1HD2 LEU 53 1HD2 LEU 53 0.221 3.191 5.143 434 2HD2 LEU 53 2HD2 LEU 53 0.454 4.233 6.581 435 3HD2 LEU 53 3HD2 LEU 53 1.646 2.969 6.181 436 H ALA 54 H ALA 54 0.705 -0.807 4.271 437 HA ALA 54 HA ALA 54 -0.034 -3.424 5.017 438 1HB ALA 54 1HB ALA 54 -0.795 -2.272 2.985 439 2HB ALA 54 2HB ALA 54 0.872 -2.261 2.367 440 3HB ALA 54 3HB ALA 54 0.015 -3.802 2.576 441 H VAL 55 H VAL 55 3.187 -2.067 4.587 442 HA VAL 55 HA VAL 55 4.394 -4.612 3.980 443 HB VAL 55 HB VAL 55 5.299 -2.198 3.660 444 1HG1 VAL 55 1HG2 VAL 55 5.025 -1.548 6.062 445 2HG1 VAL 55 2HG2 VAL 55 6.257 -2.757 6.507 446 3HG1 VAL 55 3HG2 VAL 55 6.696 -1.360 5.489 447 1HG2 VAL 55 1HG1 VAL 55 6.516 -4.286 3.143 448 2HG2 VAL 55 2HG1 VAL 55 7.606 -3.028 3.780 449 3HG2 VAL 55 3HG1 VAL 55 7.079 -4.370 4.830 450 H SER 56 H SER 56 2.879 -3.442 6.833 451 HA SER 56 HA SER 56 4.724 -4.762 8.617 452 1HB SER 56 1HB SER 56 1.914 -3.786 9.223 453 2HB SER 56 2HB SER 56 3.239 -3.992 10.374 454 HG SER 56 HG SER 56 3.040 -2.098 8.248 455 H THR 57 H THR 57 4.470 -6.815 7.204 456 HA THR 57 HA THR 57 2.534 -8.620 7.241 457 HB THR 57 HB THR 57 5.246 -9.415 8.281 458 HG1 THR 57 HG1 THR 57 5.800 -9.239 5.957 459 1HG2 THR 57 1HG2 THR 57 3.298 -10.459 6.176 460 2HG2 THR 57 2HG2 THR 57 4.827 -11.249 6.645 461 3HG2 THR 57 3HG2 THR 57 3.497 -11.108 7.822 462 H GLY 58 H GLY 58 1.088 -9.247 8.661 463 1HA GLY 58 1HA GLY 58 0.527 -10.621 10.578 464 2HA GLY 58 2HA GLY 58 1.942 -9.973 11.417 465 H THR 59 H THR 59 0.700 -7.222 10.085 466 HA THR 59 HA THR 59 -0.547 -6.576 12.673 467 HB THR 59 HB THR 59 -0.353 -4.766 10.245 468 HG1 THR 59 HG1 THR 59 1.721 -5.600 10.841 469 1HG2 THR 59 1HG2 THR 59 -0.332 -2.997 11.971 470 2HG2 THR 59 2HG2 THR 59 -1.792 -4.004 12.112 471 3HG2 THR 59 3HG2 THR 59 -0.435 -4.240 13.239 472 H GLU 60 H GLU 60 -2.731 -6.595 13.050 473 HA GLU 60 HA GLU 60 -4.558 -7.361 10.931 474 1HB GLU 60 1HB GLU 60 -5.243 -6.201 13.643 475 2HB GLU 60 2HB GLU 60 -6.247 -7.253 12.602 476 1HG GLU 60 1HG GLU 60 -3.588 -8.200 13.711 477 2HG GLU 60 2HG GLU 60 -5.104 -8.369 14.613 478 H VAL 61 H VAL 61 -4.535 -5.872 9.320 479 HA VAL 61 HA VAL 61 -5.259 -3.076 10.056 480 HB VAL 61 HB VAL 61 -3.985 -2.331 8.057 481 1HG1 VAL 61 1HG1 VAL 61 -2.851 -2.575 10.287 482 2HG1 VAL 61 2HG1 VAL 61 -2.423 -4.247 9.863 483 3HG1 VAL 61 3HG1 VAL 61 -1.737 -2.898 8.928 484 1HG2 VAL 61 1HG2 VAL 61 -4.240 -4.375 6.705 485 2HG2 VAL 61 2HG2 VAL 61 -2.527 -3.905 6.890 486 3HG2 VAL 61 3HG2 VAL 61 -3.188 -5.256 7.851 487 H THR 62 H THR 62 -6.735 -1.981 8.725 488 HA THR 62 HA THR 62 -8.732 -3.718 7.578 489 HB THR 62 HB THR 62 -8.707 -0.744 7.240 490 HG1 THR 62 HG1 THR 62 -9.375 -0.471 9.357 491 1HG2 THR 62 1HG2 THR 62 -10.811 -2.734 8.233 492 2HG2 THR 62 2HG2 THR 62 -11.101 -1.077 7.672 493 3HG2 THR 62 3HG2 THR 62 -10.579 -2.307 6.521 494 H LEU 63 H LEU 63 -8.812 -4.345 5.402 495 HA LEU 63 HA LEU 63 -7.415 -2.548 3.503 496 1HB LEU 63 1HB LEU 63 -8.295 -5.402 3.384 497 2HB LEU 63 2HB LEU 63 -8.252 -4.456 1.864 498 HG LEU 63 HG LEU 63 -5.990 -4.425 3.900 499 1HD1 LEU 63 1HD1 LEU 63 -6.181 -6.009 1.312 500 2HD1 LEU 63 2HD1 LEU 63 -4.735 -5.838 2.329 501 3HD1 LEU 63 3HD1 LEU 63 -6.167 -6.691 2.952 502 1HD2 LEU 63 1HD2 LEU 63 -6.198 -2.468 2.358 503 2HD2 LEU 63 2HD2 LEU 63 -4.733 -3.425 2.020 504 3HD2 LEU 63 3HD2 LEU 63 -6.162 -3.585 0.973 505 H ILE 64 H ILE 64 -8.377 -0.989 2.864 506 HA ILE 64 HA ILE 64 -11.318 -0.681 2.901 507 HB ILE 64 HB ILE 64 -9.114 1.349 2.370 508 1HG1 ILE 64 1HG1 ILE 64 -10.342 0.663 5.046 509 2HG1 ILE 64 2HG1 ILE 64 -8.609 0.712 4.618 510 1HG2 ILE 64 1HG2 ILE 64 -12.017 1.602 3.214 511 2HG2 ILE 64 2HG2 ILE 64 -10.883 2.960 3.030 512 3HG2 ILE 64 3HG2 ILE 64 -11.334 1.982 1.613 513 1HD1 ILE 64 1HD1 ILE 64 -10.597 3.029 4.496 514 2HD1 ILE 64 2HD1 ILE 64 -9.415 2.812 5.803 515 3HD1 ILE 64 3HD1 ILE 64 -8.867 3.165 4.135 516 H ALA 65 H ALA 65 -12.307 0.379 1.111 517 HA ALA 65 HA ALA 65 -10.776 0.978 -1.234 518 1HB ALA 65 1HB ALA 65 -13.095 -1.014 -1.367 519 2HB ALA 65 2HB ALA 65 -12.307 -0.247 -2.769 520 3HB ALA 65 3HB ALA 65 -11.395 -1.386 -1.747 521 H GLN 66 H GLN 66 -11.390 2.894 -1.663 522 HA GLN 66 HA GLN 66 -14.165 3.667 -0.971 523 1HB GLN 66 1HB GLN 66 -12.218 4.582 0.411 524 2HB GLN 66 2HB GLN 66 -11.541 5.286 -1.060 525 1HG GLN 66 1HG GLN 66 -13.791 6.476 -1.320 526 2HG GLN 66 2HG GLN 66 -14.147 5.878 0.316 527 1HE2 GLN 66 2HE2 GLN 66 -11.820 7.952 -1.564 528 2HE2 GLN 66 1HE2 GLN 66 -11.346 8.887 -0.154 529 H GLY 67 H GLY 67 -14.307 2.508 -3.112 530 1HA GLY 67 1HA GLY 67 -14.060 4.486 -5.343 531 2HA GLY 67 2HA GLY 67 -13.367 2.881 -5.439 532 H GLU 68 H GLU 68 -14.699 3.066 -7.315 533 HA GLU 68 HA GLU 68 -17.467 2.657 -7.465 534 1HB GLU 68 1HB GLU 68 -15.204 1.507 -9.159 535 2HB GLU 68 2HB GLU 68 -16.893 1.720 -9.666 536 1HG GLU 68 1HG GLU 68 -14.899 3.919 -8.964 537 2HG GLU 68 2HG GLU 68 -15.558 3.541 -10.571 538 H ASP 69 H ASP 69 -14.812 0.452 -6.515 539 HA ASP 69 HA ASP 69 -16.779 -1.824 -6.541 540 1HB ASP 69 1HB ASP 69 -13.775 -1.943 -6.478 541 2HB ASP 69 2HB ASP 69 -14.907 -3.290 -6.551 542 H GLU 70 H GLU 70 -16.035 0.518 -4.439 543 HA GLU 70 HA GLU 70 -14.383 0.119 -2.535 544 1HB GLU 70 1HB GLU 70 -16.107 1.819 -2.450 545 2HB GLU 70 2HB GLU 70 -17.345 0.563 -2.428 546 1HG GLU 70 1HG GLU 70 -16.142 -0.065 -0.107 547 2HG GLU 70 2HG GLU 70 -15.774 1.676 -0.163 548 H GLN 71 H GLN 71 -17.513 -1.282 -1.498 549 HA GLN 71 HA GLN 71 -16.573 -2.962 0.423 550 1HB GLN 71 1HB GLN 71 -18.926 -2.508 -0.031 551 2HB GLN 71 2HB GLN 71 -18.846 -3.448 -1.538 552 1HG GLN 71 1HG GLN 71 -19.922 -4.726 0.248 553 2HG GLN 71 2HG GLN 71 -18.401 -5.505 -0.236 554 1HE2 GLN 71 2HE2 GLN 71 -16.494 -5.137 1.157 555 2HE2 GLN 71 1HE2 GLN 71 -16.765 -4.864 2.878 556 H GLU 72 H GLU 72 -16.624 -3.682 -3.042 557 HA GLU 72 HA GLU 72 -16.030 -6.510 -2.871 558 1HB GLU 72 1HB GLU 72 -17.174 -5.693 -4.805 559 2HB GLU 72 2HB GLU 72 -16.072 -4.303 -4.941 560 1HG GLU 72 1HG GLU 72 -15.636 -5.847 -6.720 561 2HG GLU 72 2HG GLU 72 -14.248 -5.761 -5.630 562 H ALA 73 H ALA 73 -14.218 -3.560 -3.662 563 HA ALA 73 HA ALA 73 -11.667 -4.589 -4.278 564 1HB ALA 73 1HB ALA 73 -12.762 -2.003 -3.100 565 2HB ALA 73 2HB ALA 73 -11.108 -2.162 -3.747 566 3HB ALA 73 3HB ALA 73 -12.528 -2.355 -4.816 567 H LEU 74 H LEU 74 -12.988 -3.186 -1.288 568 HA LEU 74 HA LEU 74 -10.664 -3.665 0.279 569 1HB LEU 74 1HB LEU 74 -12.128 -2.990 2.158 570 2HB LEU 74 2HB LEU 74 -12.204 -1.930 0.727 571 HG LEU 74 HG LEU 74 -14.263 -3.621 0.177 572 1HD1 LEU 74 1HD2 LEU 74 -14.185 -3.049 3.164 573 2HD1 LEU 74 2HD2 LEU 74 -15.601 -3.649 2.257 574 3HD1 LEU 74 3HD2 LEU 74 -14.142 -4.665 2.394 575 1HD2 LEU 74 1HD1 LEU 74 -14.270 -0.993 1.729 576 2HD2 LEU 74 2HD1 LEU 74 -14.185 -1.183 -0.034 577 3HD2 LEU 74 3HD1 LEU 74 -15.652 -1.665 0.826 578 H GLU 75 H GLU 75 -13.691 -5.604 -0.090 579 HA GLU 75 HA GLU 75 -12.998 -7.634 1.770 580 1HB GLU 75 1HB GLU 75 -14.551 -7.740 -0.852 581 2HB GLU 75 2HB GLU 75 -14.411 -9.105 0.276 582 1HG GLU 75 1HG GLU 75 -15.370 -7.701 2.089 583 2HG GLU 75 2HG GLU 75 -15.532 -6.365 0.923 584 H LYS 76 H LYS 76 -12.317 -7.401 -1.726 585 HA LYS 76 HA LYS 76 -10.951 -9.820 -2.151 586 1HB LYS 76 1HB LYS 76 -10.360 -7.060 -3.288 587 2HB LYS 76 2HB LYS 76 -9.876 -8.592 -4.042 588 1HG LYS 76 1HG LYS 76 -12.737 -7.849 -3.363 589 2HG LYS 76 2HG LYS 76 -12.015 -7.448 -4.924 590 1HD LYS 76 1HD LYS 76 -12.270 -10.290 -3.831 591 2HD LYS 76 2HD LYS 76 -13.300 -9.552 -5.089 592 1HE LYS 76 1HE LYS 76 -11.389 -9.219 -6.547 593 2HE LYS 76 2HE LYS 76 -10.266 -9.752 -5.282 594 1HZ LYS 76 1HZ LYS 76 -12.356 -11.430 -6.490 595 2HZ LYS 76 2HZ LYS 76 -10.751 -11.484 -6.875 596 3HZ LYS 76 3HZ LYS 76 -11.254 -11.904 -5.361 597 H LEU 77 H LEU 77 -9.576 -6.606 -1.435 598 HA LEU 77 HA LEU 77 -6.898 -7.459 -1.150 599 1HB LEU 77 1HB LEU 77 -8.553 -5.120 -0.393 600 2HB LEU 77 2HB LEU 77 -6.975 -5.275 0.420 601 HG LEU 77 HG LEU 77 -7.124 -4.012 -1.926 602 1HD1 LEU 77 1HD1 LEU 77 -5.086 -4.528 -0.588 603 2HD1 LEU 77 2HD1 LEU 77 -5.084 -6.167 -1.298 604 3HD1 LEU 77 3HD1 LEU 77 -4.826 -4.749 -2.343 605 1HD2 LEU 77 1HD2 LEU 77 -8.108 -6.005 -3.176 606 2HD2 LEU 77 2HD2 LEU 77 -6.488 -5.536 -3.776 607 3HD2 LEU 77 3HD2 LEU 77 -6.663 -6.928 -2.700 608 H ALA 78 H ALA 78 -9.302 -6.882 1.538 609 HA ALA 78 HA ALA 78 -7.433 -7.749 3.524 610 1HB ALA 78 1HB ALA 78 -10.463 -7.684 3.614 611 2HB ALA 78 2HB ALA 78 -9.382 -7.937 5.008 612 3HB ALA 78 3HB ALA 78 -9.349 -6.396 4.138 613 H ALA 79 H ALA 79 -9.656 -9.571 1.440 614 HA ALA 79 HA ALA 79 -9.451 -12.105 2.742 615 1HB ALA 79 1HB ALA 79 -10.955 -11.451 0.788 616 2HB ALA 79 2HB ALA 79 -9.482 -11.439 -0.228 617 3HB ALA 79 3HB ALA 79 -10.039 -12.960 0.513 618 H TYR 80 H TYR 80 -7.571 -10.543 0.103 619 HA TYR 80 HA TYR 80 -5.822 -12.736 -0.278 620 1HB TYR 80 1HB TYR 80 -6.405 -10.989 -1.890 621 2HB TYR 80 2HB TYR 80 -5.553 -9.784 -0.914 622 HD1 TYR 80 HD1 TYR 80 -3.357 -9.245 -1.503 623 HD2 TYR 80 HD2 TYR 80 -4.878 -13.176 -2.374 624 HE1 TYR 80 HE1 TYR 80 -1.114 -9.931 -2.328 625 HE2 TYR 80 HE2 TYR 80 -2.655 -13.855 -3.231 626 HH TYR 80 HH TYR 80 -0.481 -13.220 -3.593 627 H VAL 81 H VAL 81 -5.349 -9.699 1.533 628 HA VAL 81 HA VAL 81 -2.585 -10.046 2.013 629 HB VAL 81 HB VAL 81 -2.922 -8.259 3.683 630 1HG1 VAL 81 1HG2 VAL 81 -2.992 -7.914 1.220 631 2HG1 VAL 81 2HG2 VAL 81 -4.760 -8.098 1.265 632 3HG1 VAL 81 3HG2 VAL 81 -3.994 -6.716 2.094 633 1HG2 VAL 81 1HG1 VAL 81 -4.973 -9.258 4.730 634 2HG2 VAL 81 2HG1 VAL 81 -5.255 -7.566 4.267 635 3HG2 VAL 81 3HG1 VAL 81 -5.893 -8.893 3.263 636 H GLN 82 H GLN 82 -5.298 -11.227 3.909 637 HA GLN 82 HA GLN 82 -3.513 -11.884 6.164 638 1HB GLN 82 1HB GLN 82 -5.729 -12.531 7.170 639 2HB GLN 82 2HB GLN 82 -5.761 -10.865 6.527 640 1HG GLN 82 1HG GLN 82 -6.910 -11.612 4.555 641 2HG GLN 82 2HG GLN 82 -6.354 -13.217 4.793 642 1HE2 GLN 82 2HE2 GLN 82 -8.924 -11.554 4.700 643 2HE2 GLN 82 1HE2 GLN 82 -10.050 -12.445 5.755 644 H GLU 83 H GLU 83 -5.043 -13.415 3.474 645 HA GLU 83 HA GLU 83 -6.057 -15.729 4.270 646 1HB GLU 83 1HB GLU 83 -6.007 -16.294 1.952 647 2HB GLU 83 2HB GLU 83 -6.131 -14.509 2.170 648 1HG GLU 83 1HG GLU 83 -3.737 -14.269 1.709 649 2HG GLU 83 2HG GLU 83 -3.543 -16.040 1.599 650 H GLU 84 H GLU 84 -2.555 -15.636 3.342 651 HA GLU 84 HA GLU 84 -2.380 -18.241 4.776 652 1HB GLU 84 1HB GLU 84 -0.752 -18.961 2.964 653 2HB GLU 84 2HB GLU 84 -2.461 -18.833 2.517 654 1HG GLU 84 1HG GLU 84 -2.001 -16.478 1.701 655 2HG GLU 84 2HG GLU 84 -0.274 -16.864 1.806 656 H VAL 85 H VAL 85 0.440 -17.223 3.249 657 HA VAL 85 HA VAL 85 1.532 -15.455 5.342 658 HB VAL 85 HB VAL 85 3.531 -17.010 5.684 659 1HG1 VAL 85 1HG1 VAL 85 0.926 -18.217 6.856 660 2HG1 VAL 85 2HG1 VAL 85 2.579 -18.562 7.422 661 3HG1 VAL 85 3HG1 VAL 85 1.922 -16.945 7.603 662 1HG2 VAL 85 1HG2 VAL 85 3.151 -18.625 3.768 663 2HG2 VAL 85 2HG2 VAL 85 3.357 -19.460 5.311 664 3HG2 VAL 85 3HG2 VAL 85 1.729 -19.290 4.606 Start of MODEL 17 1 1H VAL 2 1H VAL 2 -16.891 7.214 -0.428 2 2H VAL 2 2H VAL 2 -16.619 6.766 -2.026 3 3H VAL 2 3H VAL 2 -18.076 7.484 -1.590 4 HA VAL 2 HA VAL 2 -18.649 5.609 -0.228 5 HB VAL 2 HB VAL 2 -17.772 4.866 -3.048 6 1HG1 VAL 2 1HG1 VAL 2 -18.440 2.930 -1.672 7 2HG1 VAL 2 2HG1 VAL 2 -19.983 3.733 -1.286 8 3HG1 VAL 2 3HG1 VAL 2 -19.620 3.251 -2.964 9 1HG2 VAL 2 1HG2 VAL 2 -19.154 6.915 -3.022 10 2HG2 VAL 2 2HG2 VAL 2 -20.048 5.543 -3.718 11 3HG2 VAL 2 3HG2 VAL 2 -20.387 6.072 -2.053 12 H GLN 3 H GLN 3 -16.798 5.462 1.298 13 HA GLN 3 HA GLN 3 -14.724 3.515 0.433 14 1HB GLN 3 1HB GLN 3 -14.131 5.874 1.270 15 2HB GLN 3 2HB GLN 3 -14.677 5.331 2.874 16 1HG GLN 3 1HG GLN 3 -13.014 3.491 2.791 17 2HG GLN 3 2HG GLN 3 -12.460 4.051 1.205 18 1HE2 GLN 3 2HE2 GLN 3 -12.424 6.889 1.566 19 2HE2 GLN 3 1HE2 GLN 3 -11.218 7.206 2.798 20 H GLN 4 H GLN 4 -14.537 1.553 1.367 21 HA GLN 4 HA GLN 4 -15.694 1.249 4.072 22 1HB GLN 4 1HB GLN 4 -17.139 0.364 1.868 23 2HB GLN 4 2HB GLN 4 -16.283 -1.100 2.397 24 1HG GLN 4 1HG GLN 4 -18.012 0.714 4.137 25 2HG GLN 4 2HG GLN 4 -18.458 -0.906 3.541 26 1HE2 GLN 4 2HE2 GLN 4 -17.276 -2.759 4.341 27 2HE2 GLN 4 1HE2 GLN 4 -16.206 -2.642 5.761 28 H LYS 5 H LYS 5 -14.697 -0.648 5.257 29 HA LYS 5 HA LYS 5 -12.535 -2.033 3.844 30 1HB LYS 5 1HB LYS 5 -11.151 -1.414 6.008 31 2HB LYS 5 2HB LYS 5 -11.189 -0.379 4.575 32 1HG LYS 5 1HG LYS 5 -11.456 1.040 6.495 33 2HG LYS 5 2HG LYS 5 -12.993 0.983 5.590 34 1HD LYS 5 1HD LYS 5 -13.743 -0.837 7.225 35 2HD LYS 5 2HD LYS 5 -12.255 -0.476 8.141 36 1HE LYS 5 1HE LYS 5 -14.190 0.755 9.066 37 2HE LYS 5 2HE LYS 5 -12.962 1.865 8.424 38 1HZ LYS 5 1HZ LYS 5 -15.399 1.018 7.004 39 2HZ LYS 5 2HZ LYS 5 -15.194 2.462 7.772 40 3HZ LYS 5 3HZ LYS 5 -14.281 2.094 6.453 41 H VAL 6 H VAL 6 -11.636 -3.721 5.081 42 HA VAL 6 HA VAL 6 -13.084 -4.681 7.468 43 HB VAL 6 HB VAL 6 -13.075 -7.009 6.372 44 1HG1 VAL 6 1HG2 VAL 6 -14.913 -4.809 5.351 45 2HG1 VAL 6 2HG2 VAL 6 -15.272 -6.552 5.294 46 3HG1 VAL 6 3HG2 VAL 6 -15.108 -5.726 6.863 47 1HG2 VAL 6 1HG1 VAL 6 -11.696 -6.395 4.383 48 2HG2 VAL 6 2HG1 VAL 6 -13.292 -7.031 3.913 49 3HG2 VAL 6 3HG1 VAL 6 -12.976 -5.279 3.860 50 H GLU 7 H GLU 7 -11.567 -5.400 8.946 51 HA GLU 7 HA GLU 7 -8.797 -5.311 7.939 52 1HB GLU 7 1HB GLU 7 -9.429 -3.893 9.892 53 2HB GLU 7 2HB GLU 7 -9.934 -5.343 10.787 54 1HG GLU 7 1HG GLU 7 -7.690 -6.149 10.947 55 2HG GLU 7 2HG GLU 7 -7.111 -4.967 9.762 56 H VAL 8 H VAL 8 -7.195 -6.655 8.531 57 HA VAL 8 HA VAL 8 -7.717 -9.348 9.522 58 HB VAL 8 HB VAL 8 -6.622 -10.261 7.318 59 1HG1 VAL 8 1HG1 VAL 8 -9.474 -9.243 7.406 60 2HG1 VAL 8 2HG1 VAL 8 -8.817 -10.485 6.291 61 3HG1 VAL 8 3HG1 VAL 8 -8.853 -10.798 8.041 62 1HG2 VAL 8 1HG2 VAL 8 -7.827 -7.626 6.346 63 2HG2 VAL 8 2HG2 VAL 8 -6.107 -8.087 6.273 64 3HG2 VAL 8 3HG2 VAL 8 -7.297 -8.981 5.301 65 H ARG 9 H ARG 9 -5.441 -10.561 9.373 66 HA ARG 9 HA ARG 9 -3.516 -8.478 10.210 67 1HB ARG 9 1HB ARG 9 -3.406 -10.390 11.610 68 2HB ARG 9 2HB ARG 9 -3.239 -11.512 10.220 69 1HG ARG 9 1HG ARG 9 -1.237 -9.323 10.653 70 2HG ARG 9 2HG ARG 9 -1.141 -10.805 11.617 71 1HD ARG 9 1HD ARG 9 -1.259 -10.842 8.565 72 2HD ARG 9 2HD ARG 9 0.238 -10.872 9.509 73 HE ARG 9 HE ARG 9 -0.215 -13.021 10.255 74 1HH1 ARG 9 2HH1 ARG 9 -2.904 -11.833 8.234 75 2HH1 ARG 9 1HH1 ARG 9 -3.487 -13.447 7.900 76 1HH2 ARG 9 1HH2 ARG 9 -1.020 -15.105 9.758 77 2HH2 ARG 9 2HH2 ARG 9 -2.423 -15.282 8.736 78 H LEU 10 H LEU 10 -2.005 -7.707 9.030 79 HA LEU 10 HA LEU 10 -1.913 -8.023 6.227 80 1HB LEU 10 1HB LEU 10 -1.385 -5.998 7.569 81 2HB LEU 10 2HB LEU 10 -0.031 -6.853 8.324 82 HG LEU 10 HG LEU 10 1.113 -6.991 6.140 83 1HD1 LEU 10 1HD2 LEU 10 -1.244 -5.264 5.225 84 2HD1 LEU 10 2HD2 LEU 10 0.239 -5.585 4.289 85 3HD1 LEU 10 3HD2 LEU 10 -0.882 -6.915 4.660 86 1HD2 LEU 10 1HD1 LEU 10 1.308 -5.168 7.876 87 2HD2 LEU 10 2HD1 LEU 10 1.765 -4.698 6.228 88 3HD2 LEU 10 3HD1 LEU 10 0.183 -4.187 6.899 89 H LYS 11 H LYS 11 -1.727 -10.379 6.191 90 HA LYS 11 HA LYS 11 0.659 -11.776 7.047 91 1HB LYS 11 1HB LYS 11 -1.462 -12.904 6.965 92 2HB LYS 11 2HB LYS 11 -1.774 -12.352 5.316 93 1HG LYS 11 1HG LYS 11 0.589 -14.133 5.886 94 2HG LYS 11 2HG LYS 11 -1.043 -14.798 5.639 95 1HD LYS 11 1HD LYS 11 0.526 -13.048 3.710 96 2HD LYS 11 2HD LYS 11 -0.034 -14.718 3.452 97 1HE LYS 11 1HE LYS 11 -2.396 -13.945 3.597 98 2HE LYS 11 2HE LYS 11 -1.844 -12.312 3.976 99 1HZ LYS 11 1HZ LYS 11 -1.303 -13.661 1.426 100 2HZ LYS 11 2HZ LYS 11 -2.443 -12.506 1.696 101 3HZ LYS 11 3HZ LYS 11 -0.843 -12.142 1.856 102 H THR 12 H THR 12 -0.393 -10.028 4.176 103 HA THR 12 HA THR 12 1.515 -10.998 2.298 104 HB THR 12 HB THR 12 1.091 -8.677 1.282 105 HG1 THR 12 HG1 THR 12 -0.585 -7.504 2.343 106 1HG2 THR 12 1HG2 THR 12 -1.326 -10.331 2.119 107 2HG2 THR 12 2HG2 THR 12 -1.279 -9.180 0.758 108 3HG2 THR 12 3HG2 THR 12 -0.287 -10.652 0.708 109 H GLY 13 H GLY 13 1.518 -7.949 4.061 110 1HA GLY 13 1HA GLY 13 3.073 -6.752 5.189 111 2HA GLY 13 2HA GLY 13 4.296 -8.010 5.049 112 H LEU 14 H LEU 14 2.573 -6.780 2.346 113 HA LEU 14 HA LEU 14 3.337 -5.793 0.336 114 1HB LEU 14 1HB LEU 14 3.064 -3.929 2.631 115 2HB LEU 14 2HB LEU 14 3.508 -3.302 1.042 116 HG LEU 14 HG LEU 14 1.045 -3.286 1.506 117 1HD1 LEU 14 1HD2 LEU 14 1.950 -4.958 -0.845 118 2HD1 LEU 14 2HD2 LEU 14 0.370 -4.158 -0.685 119 3HD1 LEU 14 3HD2 LEU 14 1.857 -3.187 -0.769 120 1HD2 LEU 14 1HD1 LEU 14 0.889 -5.453 2.704 121 2HD2 LEU 14 2HD1 LEU 14 -0.238 -5.350 1.327 122 3HD2 LEU 14 3HD1 LEU 14 1.261 -6.302 1.183 123 H GLN 15 H GLN 15 5.641 -7.091 0.823 124 HA GLN 15 HA GLN 15 7.741 -4.998 0.664 125 1HB GLN 15 1HB GLN 15 8.557 -7.824 0.308 126 2HB GLN 15 2HB GLN 15 9.294 -6.541 1.279 127 1HG GLN 15 1HG GLN 15 8.628 -8.226 2.806 128 2HG GLN 15 2HG GLN 15 7.389 -6.959 2.960 129 1HE2 GLN 15 2HE2 GLN 15 6.681 -9.432 3.905 130 2HE2 GLN 15 1HE2 GLN 15 5.383 -9.933 2.855 131 H ALA 16 H ALA 16 6.751 -8.034 -0.973 132 HA ALA 16 HA ALA 16 7.187 -6.598 -3.535 133 1HB ALA 16 1HB ALA 16 9.290 -7.736 -3.044 134 2HB ALA 16 2HB ALA 16 8.436 -9.287 -2.858 135 3HB ALA 16 3HB ALA 16 8.490 -8.484 -4.446 136 H ARG 17 H ARG 17 6.636 -10.053 -2.910 137 HA ARG 17 HA ARG 17 4.759 -10.057 -5.067 138 1HB ARG 17 1HB ARG 17 6.421 -11.902 -4.178 139 2HB ARG 17 2HB ARG 17 4.956 -12.484 -3.342 140 1HG ARG 17 1HG ARG 17 5.153 -11.780 -6.307 141 2HG ARG 17 2HG ARG 17 5.288 -13.432 -5.670 142 1HD ARG 17 1HD ARG 17 2.863 -11.629 -5.246 143 2HD ARG 17 2HD ARG 17 2.999 -12.844 -6.529 144 HE ARG 17 HE ARG 17 3.403 -14.513 -4.656 145 1HH1 ARG 17 2HH1 ARG 17 1.413 -11.620 -4.199 146 2HH1 ARG 17 1HH1 ARG 17 0.334 -12.374 -3.056 147 1HH2 ARG 17 1HH2 ARG 17 2.016 -15.512 -3.187 148 2HH2 ARG 17 2HH2 ARG 17 0.688 -14.656 -2.461 149 HA PRO 18 HA PRO 18 1.289 -11.177 -1.914 150 1HB PRO 18 1HB PRO 18 1.662 -10.342 0.695 151 2HB PRO 18 2HB PRO 18 2.259 -11.941 0.151 152 1HG PRO 18 1HG PRO 18 3.830 -9.341 0.237 153 2HG PRO 18 2HG PRO 18 4.296 -10.866 1.007 154 1HD PRO 18 1HD PRO 18 5.258 -10.274 -1.430 155 2HD PRO 18 2HD PRO 18 4.611 -11.924 -1.162 156 H ALA 19 H ALA 19 3.382 -8.574 -1.154 157 HA ALA 19 HA ALA 19 1.788 -6.365 -0.628 158 1HB ALA 19 1HB ALA 19 4.269 -6.759 -0.492 159 2HB ALA 19 2HB ALA 19 4.297 -6.857 -2.270 160 3HB ALA 19 3HB ALA 19 3.903 -5.300 -1.469 161 H ALA 20 H ALA 20 3.146 -7.616 -3.688 162 HA ALA 20 HA ALA 20 2.059 -5.610 -5.407 163 1HB ALA 20 1HB ALA 20 4.020 -7.034 -5.961 164 2HB ALA 20 2HB ALA 20 2.956 -8.460 -6.004 165 3HB ALA 20 3HB ALA 20 2.741 -7.155 -7.197 166 H LEU 21 H LEU 21 1.005 -8.863 -4.398 167 HA LEU 21 HA LEU 21 -1.260 -8.956 -6.154 168 1HB LEU 21 1HB LEU 21 -0.185 -10.815 -4.740 169 2HB LEU 21 2HB LEU 21 -1.225 -10.250 -3.413 170 HG LEU 21 HG LEU 21 -2.182 -11.033 -6.207 171 1HD1 LEU 21 1HD1 LEU 21 -1.187 -12.948 -4.985 172 2HD1 LEU 21 2HD1 LEU 21 -2.271 -12.618 -3.611 173 3HD1 LEU 21 3HD1 LEU 21 -2.948 -13.126 -5.176 174 1HD2 LEU 21 1HD2 LEU 21 -3.703 -9.496 -4.982 175 2HD2 LEU 21 2HD2 LEU 21 -4.411 -11.119 -5.156 176 3HD2 LEU 21 3HD2 LEU 21 -3.706 -10.620 -3.600 177 H PHE 22 H PHE 22 -0.968 -7.954 -2.761 178 HA PHE 22 HA PHE 22 -3.558 -7.077 -2.080 179 1HB PHE 22 1HB PHE 22 -1.635 -7.301 -0.552 180 2HB PHE 22 2HB PHE 22 -0.724 -6.125 -1.493 181 HD1 PHE 22 HD1 PHE 22 -1.420 -3.696 -1.516 182 HD2 PHE 22 HD2 PHE 22 -2.883 -6.565 1.343 183 HE1 PHE 22 HE1 PHE 22 -1.952 -1.864 0.023 184 HE2 PHE 22 HE2 PHE 22 -3.475 -4.719 2.886 185 HZ PHE 22 HZ PHE 22 -3.018 -2.361 2.240 186 H VAL 23 H VAL 23 -0.844 -5.025 -3.113 187 HA VAL 23 HA VAL 23 -2.284 -2.649 -3.495 188 HB VAL 23 HB VAL 23 0.338 -3.781 -4.486 189 1HG1 VAL 23 1HG2 VAL 23 -0.701 -0.973 -5.022 190 2HG1 VAL 23 2HG2 VAL 23 0.954 -1.553 -5.315 191 3HG1 VAL 23 3HG2 VAL 23 -0.401 -2.231 -6.246 192 1HG2 VAL 23 1HG1 VAL 23 -0.481 -1.550 -2.569 193 2HG2 VAL 23 2HG1 VAL 23 0.146 -3.153 -2.116 194 3HG2 VAL 23 3HG1 VAL 23 1.196 -1.992 -2.963 195 H GLN 24 H GLN 24 -1.425 -5.210 -5.876 196 HA GLN 24 HA GLN 24 -2.461 -3.773 -8.114 197 1HB GLN 24 1HB GLN 24 -0.819 -5.308 -8.594 198 2HB GLN 24 2HB GLN 24 -1.486 -6.541 -7.515 199 1HG GLN 24 1HG GLN 24 -3.381 -5.904 -9.620 200 2HG GLN 24 2HG GLN 24 -1.819 -6.408 -10.294 201 1HE2 GLN 24 2HE2 GLN 24 -2.999 -7.606 -7.071 202 2HE2 GLN 24 1HE2 GLN 24 -3.364 -9.201 -7.708 203 H GLU 25 H GLU 25 -4.036 -6.046 -5.825 204 HA GLU 25 HA GLU 25 -6.317 -6.314 -7.603 205 1HB GLU 25 1HB GLU 25 -6.031 -6.886 -4.600 206 2HB GLU 25 2HB GLU 25 -7.393 -7.408 -5.616 207 1HG GLU 25 1HG GLU 25 -4.503 -8.217 -6.011 208 2HG GLU 25 2HG GLU 25 -5.727 -9.218 -5.204 209 H ALA 26 H ALA 26 -5.575 -4.672 -4.557 210 HA ALA 26 HA ALA 26 -7.838 -3.080 -4.122 211 1HB ALA 26 1HB ALA 26 -4.876 -2.361 -4.041 212 2HB ALA 26 2HB ALA 26 -6.165 -1.452 -3.215 213 3HB ALA 26 3HB ALA 26 -5.782 -3.121 -2.708 214 H ASN 27 H ASN 27 -5.031 -2.517 -6.154 215 HA ASN 27 HA ASN 27 -5.692 -0.140 -7.469 216 1HB ASN 27 1HB ASN 27 -3.835 -2.391 -7.590 217 2HB ASN 27 2HB ASN 27 -4.246 -1.839 -9.211 218 1HD2 ASN 27 2HD2 ASN 27 -2.206 -1.391 -6.677 219 2HD2 ASN 27 1HD2 ASN 27 -1.629 0.252 -6.889 220 H ARG 28 H ARG 28 -6.627 -3.496 -8.260 221 HA ARG 28 HA ARG 28 -7.042 -2.993 -11.139 222 1HB ARG 28 1HB ARG 28 -8.087 -5.089 -9.185 223 2HB ARG 28 2HB ARG 28 -8.506 -5.051 -10.907 224 1HG ARG 28 1HG ARG 28 -6.109 -5.254 -11.519 225 2HG ARG 28 2HG ARG 28 -5.669 -5.288 -9.800 226 1HD ARG 28 1HD ARG 28 -6.910 -7.381 -9.482 227 2HD ARG 28 2HD ARG 28 -7.524 -7.311 -11.143 228 HE ARG 28 HE ARG 28 -4.945 -8.275 -10.284 229 1HH1 ARG 28 1HH2 ARG 28 -6.671 -6.744 -12.946 230 2HH1 ARG 28 2HH2 ARG 28 -5.513 -7.212 -14.164 231 1HH2 ARG 28 2HH1 ARG 28 -3.376 -8.787 -11.792 232 2HH2 ARG 28 1HH1 ARG 28 -3.588 -8.440 -13.497 233 H PHE 29 H PHE 29 -8.838 -3.305 -8.193 234 HA PHE 29 HA PHE 29 -11.426 -2.524 -9.162 235 1HB PHE 29 1HB PHE 29 -9.938 -2.846 -6.574 236 2HB PHE 29 2HB PHE 29 -11.529 -2.150 -6.582 237 HD1 PHE 29 HD1 PHE 29 -12.050 -4.332 -5.158 238 HD2 PHE 29 HD2 PHE 29 -11.140 -4.373 -9.351 239 HE1 PHE 29 HE1 PHE 29 -12.853 -6.671 -5.302 240 HE2 PHE 29 HE2 PHE 29 -12.165 -6.630 -9.553 241 HZ PHE 29 HZ PHE 29 -13.014 -7.792 -7.520 242 H THR 30 H THR 30 -12.088 -0.641 -9.642 243 HA THR 30 HA THR 30 -10.200 1.622 -9.546 244 HB THR 30 HB THR 30 -11.264 1.288 -11.583 245 HG1 THR 30 HG1 THR 30 -12.451 3.488 -10.247 246 1HG2 THR 30 1HG2 THR 30 -13.696 1.401 -11.937 247 2HG2 THR 30 2HG2 THR 30 -13.281 0.070 -10.832 248 3HG2 THR 30 3HG2 THR 30 -13.942 1.596 -10.186 249 H SER 31 H SER 31 -10.362 1.256 -7.210 250 HA SER 31 HA SER 31 -12.250 3.130 -5.914 251 1HB SER 31 1HB SER 31 -11.002 0.586 -4.802 252 2HB SER 31 2HB SER 31 -12.291 1.556 -4.054 253 HG SER 31 HG SER 31 -12.930 -0.423 -5.204 254 H ASP 32 H ASP 32 -11.494 4.393 -4.295 255 HA ASP 32 HA ASP 32 -8.609 4.830 -4.052 256 1HB ASP 32 1HB ASP 32 -10.290 6.649 -3.943 257 2HB ASP 32 2HB ASP 32 -11.011 5.848 -2.522 258 H VAL 33 H VAL 33 -8.045 2.770 -3.495 259 HA VAL 33 HA VAL 33 -9.208 1.344 -1.272 260 HB VAL 33 HB VAL 33 -6.760 0.830 -3.000 261 1HG1 VAL 33 1HG1 VAL 33 -8.335 -1.032 -1.173 262 2HG1 VAL 33 2HG1 VAL 33 -7.023 -1.520 -2.275 263 3HG1 VAL 33 3HG1 VAL 33 -6.676 -0.444 -0.901 264 1HG2 VAL 33 1HG2 VAL 33 -8.916 1.052 -4.196 265 2HG2 VAL 33 2HG2 VAL 33 -8.343 -0.630 -4.233 266 3HG2 VAL 33 3HG2 VAL 33 -9.646 -0.153 -3.111 267 H PHE 34 H PHE 34 -8.076 0.535 0.592 268 HA PHE 34 HA PHE 34 -5.789 2.166 1.457 269 1HB PHE 34 1HB PHE 34 -8.399 2.143 3.011 270 2HB PHE 34 2HB PHE 34 -6.848 2.736 3.595 271 HD1 PHE 34 HD1 PHE 34 -9.769 3.510 1.548 272 HD2 PHE 34 HD2 PHE 34 -5.741 4.669 2.475 273 HE1 PHE 34 HE1 PHE 34 -10.178 5.738 0.536 274 HE2 PHE 34 HE2 PHE 34 -6.150 6.917 1.470 275 HZ PHE 34 HZ PHE 34 -8.384 7.441 0.501 276 H LEU 35 H LEU 35 -4.930 1.491 3.505 277 HA LEU 35 HA LEU 35 -5.858 -1.066 4.611 278 1HB LEU 35 1HB LEU 35 -4.087 -1.729 2.957 279 2HB LEU 35 2HB LEU 35 -2.938 -0.671 3.833 280 HG LEU 35 HG LEU 35 -3.589 -1.924 5.951 281 1HD1 LEU 35 1HD1 LEU 35 -4.896 -3.776 3.913 282 2HD1 LEU 35 2HD1 LEU 35 -4.704 -4.121 5.649 283 3HD1 LEU 35 3HD1 LEU 35 -5.748 -2.780 5.116 284 1HD2 LEU 35 1HD2 LEU 35 -2.365 -3.586 3.718 285 2HD2 LEU 35 2HD2 LEU 35 -1.501 -2.449 4.777 286 3HD2 LEU 35 3HD2 LEU 35 -2.230 -3.922 5.461 287 H GLU 36 H GLU 36 -5.823 -0.826 6.786 288 HA GLU 36 HA GLU 36 -4.211 1.494 7.790 289 1HB GLU 36 1HB GLU 36 -6.569 0.984 9.346 290 2HB GLU 36 2HB GLU 36 -6.060 2.491 8.592 291 1HG GLU 36 1HG GLU 36 -7.366 2.104 6.700 292 2HG GLU 36 2HG GLU 36 -7.253 0.352 6.854 293 H LYS 37 H LYS 37 -2.727 0.821 9.234 294 HA LYS 37 HA LYS 37 -2.833 -1.797 10.525 295 1HB LYS 37 1HB LYS 37 -1.068 0.644 10.970 296 2HB LYS 37 2HB LYS 37 -0.842 -0.937 11.753 297 1HG LYS 37 1HG LYS 37 -0.627 -2.013 9.520 298 2HG LYS 37 2HG LYS 37 -0.792 -0.424 8.749 299 1HD LYS 37 1HD LYS 37 1.605 -1.126 8.986 300 2HD LYS 37 2HD LYS 37 1.238 0.373 9.871 301 1HE LYS 37 1HE LYS 37 0.919 -0.981 11.956 302 2HE LYS 37 2HE LYS 37 1.439 -2.432 11.069 303 1HZ LYS 37 1HZ LYS 37 3.510 -1.319 10.629 304 2HZ LYS 37 2HZ LYS 37 3.035 -0.001 11.497 305 3HZ LYS 37 3HZ LYS 37 3.239 -1.454 12.253 306 H ASP 38 H ASP 38 -4.566 -2.058 11.807 307 HA ASP 38 HA ASP 38 -6.167 -1.685 13.379 308 1HB ASP 38 1HB ASP 38 -3.791 -0.382 14.744 309 2HB ASP 38 2HB ASP 38 -5.346 -0.727 15.528 310 H GLY 39 H GLY 39 -6.059 0.224 11.206 311 1HA GLY 39 1HA GLY 39 -7.707 2.085 11.135 312 2HA GLY 39 2HA GLY 39 -7.064 2.588 12.717 313 H LYS 40 H LYS 40 -4.182 1.987 11.609 314 HA LYS 40 HA LYS 40 -3.720 4.686 10.650 315 1HB LYS 40 1HB LYS 40 -1.839 2.300 10.726 316 2HB LYS 40 2HB LYS 40 -1.388 4.017 10.652 317 1HG LYS 40 1HG LYS 40 -2.746 2.534 12.937 318 2HG LYS 40 2HG LYS 40 -1.108 3.214 12.945 319 1HD LYS 40 1HD LYS 40 -3.702 4.803 12.697 320 2HD LYS 40 2HD LYS 40 -2.692 4.696 14.155 321 1HE LYS 40 1HE LYS 40 -0.802 5.727 12.945 322 2HE LYS 40 2HE LYS 40 -1.773 5.793 11.460 323 1HZ LYS 40 1HZ LYS 40 -2.389 7.193 13.970 324 2HZ LYS 40 2HZ LYS 40 -1.766 7.880 12.609 325 3HZ LYS 40 3HZ LYS 40 -3.290 7.253 12.590 326 H LYS 41 H LYS 41 -5.193 4.517 8.811 327 HA LYS 41 HA LYS 41 -4.463 2.615 6.770 328 1HB LYS 41 1HB LYS 41 -6.544 2.694 6.294 329 2HB LYS 41 2HB LYS 41 -6.792 3.901 7.550 330 1HG LYS 41 1HG LYS 41 -6.194 4.421 4.596 331 2HG LYS 41 2HG LYS 41 -7.800 4.495 5.334 332 1HD LYS 41 1HD LYS 41 -7.111 6.362 6.771 333 2HD LYS 41 2HD LYS 41 -5.437 6.244 6.164 334 1HE LYS 41 1HE LYS 41 -6.219 6.719 3.869 335 2HE LYS 41 2HE LYS 41 -7.888 6.821 4.440 336 1HZ LYS 41 1HZ LYS 41 -5.679 8.571 5.279 337 2HZ LYS 41 2HZ LYS 41 -6.884 8.976 4.231 338 3HZ LYS 41 3HZ LYS 41 -7.235 8.673 5.812 339 H VAL 42 H VAL 42 -4.032 2.951 4.677 340 HA VAL 42 HA VAL 42 -3.264 5.605 3.603 341 HB VAL 42 HB VAL 42 -1.165 4.470 2.645 342 1HG1 VAL 42 1HG1 VAL 42 -1.376 4.866 5.647 343 2HG1 VAL 42 2HG1 VAL 42 0.134 4.860 4.700 344 3HG1 VAL 42 3HG1 VAL 42 -1.077 6.138 4.432 345 1HG2 VAL 42 1HG2 VAL 42 -1.885 2.145 3.144 346 2HG2 VAL 42 2HG2 VAL 42 -0.314 2.518 3.903 347 3HG2 VAL 42 3HG2 VAL 42 -1.803 2.500 4.884 348 H ASN 43 H ASN 43 -2.770 5.356 1.172 349 HA ASN 43 HA ASN 43 -4.996 3.939 -0.019 350 1HB ASN 43 1HB ASN 43 -4.191 6.058 -0.975 351 2HB ASN 43 2HB ASN 43 -2.579 5.355 -1.218 352 1HD2 ASN 43 2HD2 ASN 43 -5.921 4.074 -1.936 353 2HD2 ASN 43 1HD2 ASN 43 -5.598 3.929 -3.662 354 H ALA 44 H ALA 44 -4.961 1.970 0.194 355 HA ALA 44 HA ALA 44 -3.000 0.120 0.654 356 1HB ALA 44 1HB ALA 44 -5.464 -0.297 0.753 357 2HB ALA 44 2HB ALA 44 -5.510 -0.259 -1.021 358 3HB ALA 44 3HB ALA 44 -4.635 -1.564 -0.193 359 H LYS 45 H LYS 45 -4.175 1.180 -2.495 360 HA LYS 45 HA LYS 45 -2.562 -0.795 -3.951 361 1HB LYS 45 1HB LYS 45 -3.496 0.348 -5.934 362 2HB LYS 45 2HB LYS 45 -4.759 -0.202 -4.813 363 1HG LYS 45 1HG LYS 45 -5.091 2.041 -3.971 364 2HG LYS 45 2HG LYS 45 -3.608 2.613 -4.764 365 1HD LYS 45 1HD LYS 45 -5.448 3.310 -6.156 366 2HD LYS 45 2HD LYS 45 -4.591 1.994 -6.989 367 1HE LYS 45 1HE LYS 45 -6.295 0.373 -6.010 368 2HE LYS 45 2HE LYS 45 -7.228 1.778 -5.450 369 1HZ LYS 45 1HZ LYS 45 -6.524 1.223 -8.248 370 2HZ LYS 45 2HZ LYS 45 -7.981 0.944 -7.539 371 3HZ LYS 45 3HZ LYS 45 -7.428 2.490 -7.692 372 H SER 46 H SER 46 -1.901 2.193 -2.501 373 HA SER 46 HA SER 46 0.155 2.820 -4.529 374 1HB SER 46 1HB SER 46 -1.551 4.549 -3.849 375 2HB SER 46 2HB SER 46 -0.777 4.575 -2.252 376 HG SER 46 HG SER 46 -0.004 6.160 -3.891 377 H ILE 47 H ILE 47 1.870 4.097 -3.496 378 HA ILE 47 HA ILE 47 3.920 2.555 -2.465 379 HB ILE 47 HB ILE 47 4.010 4.757 -3.635 380 1HG1 ILE 47 1HG1 ILE 47 5.989 3.774 -2.474 381 2HG1 ILE 47 2HG1 ILE 47 6.021 5.540 -2.651 382 1HG2 ILE 47 1HG2 ILE 47 2.290 5.932 -2.284 383 2HG2 ILE 47 2HG2 ILE 47 3.376 5.904 -0.888 384 3HG2 ILE 47 3HG2 ILE 47 3.814 6.856 -2.322 385 1HD1 ILE 47 1HD1 ILE 47 5.284 5.813 -0.320 386 2HD1 ILE 47 2HD1 ILE 47 5.244 4.044 -0.122 387 3HD1 ILE 47 3HD1 ILE 47 6.792 4.870 -0.418 388 H MET 48 H MET 48 1.878 4.862 -0.597 389 HA MET 48 HA MET 48 3.242 4.234 1.856 390 1HB MET 48 1HB MET 48 2.288 6.415 1.310 391 2HB MET 48 2HB MET 48 0.655 5.738 1.326 392 1HG MET 48 1HG MET 48 0.950 5.152 3.714 393 2HG MET 48 2HG MET 48 2.649 5.640 3.639 394 1HE MET 48 1HE MET 48 -0.146 7.599 1.813 395 2HE MET 48 2HE MET 48 -1.045 6.948 3.209 396 3HE MET 48 3HE MET 48 -0.756 8.700 3.074 397 H GLY 49 H GLY 49 0.666 2.661 0.106 398 1HA GLY 49 1HA GLY 49 -0.355 1.360 2.518 399 2HA GLY 49 2HA GLY 49 -0.791 0.957 0.816 400 H LEU 50 H LEU 50 1.434 0.343 -0.488 401 HA LEU 50 HA LEU 50 2.401 -2.127 0.381 402 1HB LEU 50 1HB LEU 50 3.086 -0.050 -1.595 403 2HB LEU 50 2HB LEU 50 4.503 -0.953 -1.018 404 HG LEU 50 HG LEU 50 2.003 -2.362 -2.005 405 1HD1 LEU 50 1HD1 LEU 50 2.825 -0.850 -3.783 406 2HD1 LEU 50 2HD1 LEU 50 4.461 -1.530 -3.601 407 3HD1 LEU 50 3HD1 LEU 50 3.131 -2.556 -4.192 408 1HD2 LEU 50 1HD2 LEU 50 4.944 -3.181 -1.817 409 2HD2 LEU 50 2HD2 LEU 50 3.655 -3.699 -0.708 410 3HD2 LEU 50 3HD2 LEU 50 3.613 -4.197 -2.412 411 H MET 51 H MET 51 4.437 0.797 0.251 412 HA MET 51 HA MET 51 6.513 -0.468 1.704 413 1HB MET 51 1HB MET 51 6.820 1.283 -0.054 414 2HB MET 51 2HB MET 51 6.039 2.458 1.025 415 1HG MET 51 1HG MET 51 7.858 1.836 2.738 416 2HG MET 51 2HG MET 51 8.707 1.071 1.386 417 1HE MET 51 1HE MET 51 6.451 4.237 1.567 418 2HE MET 51 2HE MET 51 7.441 4.352 3.046 419 3HE MET 51 3HE MET 51 7.648 5.547 1.742 420 H SER 52 H SER 52 4.052 1.997 2.613 421 HA SER 52 HA SER 52 5.342 2.348 5.183 422 1HB SER 52 1HB SER 52 2.644 3.401 4.305 423 2HB SER 52 2HB SER 52 3.680 4.032 5.606 424 HG SER 52 HG SER 52 5.262 4.433 3.899 425 H LEU 53 H LEU 53 1.866 1.568 4.605 426 HA LEU 53 HA LEU 53 1.764 0.584 7.351 427 1HB LEU 53 1HB LEU 53 -0.320 0.941 5.221 428 2HB LEU 53 2HB LEU 53 -0.632 0.179 6.796 429 HG LEU 53 HG LEU 53 -1.125 2.501 7.027 430 1HD1 LEU 53 1HD1 LEU 53 0.014 1.452 8.936 431 2HD1 LEU 53 2HD1 LEU 53 1.593 1.917 8.253 432 3HD1 LEU 53 3HD1 LEU 53 0.454 3.171 8.800 433 1HD2 LEU 53 1HD2 LEU 53 0.287 3.195 5.054 434 2HD2 LEU 53 2HD2 LEU 53 0.451 4.277 6.473 435 3HD2 LEU 53 3HD2 LEU 53 1.715 3.073 6.107 436 H ALA 54 H ALA 54 0.786 -0.829 4.260 437 HA ALA 54 HA ALA 54 0.170 -3.431 5.202 438 1HB ALA 54 1HB ALA 54 -0.832 -2.403 3.219 439 2HB ALA 54 2HB ALA 54 0.762 -2.345 2.435 440 3HB ALA 54 3HB ALA 54 0.002 -3.914 2.786 441 H VAL 55 H VAL 55 3.275 -1.997 4.442 442 HA VAL 55 HA VAL 55 4.643 -4.422 3.864 443 HB VAL 55 HB VAL 55 5.446 -2.041 3.552 444 1HG1 VAL 55 1HG2 VAL 55 4.859 -1.223 5.833 445 2HG1 VAL 55 2HG2 VAL 55 6.076 -2.321 6.527 446 3HG1 VAL 55 3HG2 VAL 55 6.579 -0.981 5.465 447 1HG2 VAL 55 1HG1 VAL 55 6.919 -3.996 3.313 448 2HG2 VAL 55 2HG1 VAL 55 7.798 -2.625 4.035 449 3HG2 VAL 55 3HG1 VAL 55 7.247 -3.974 5.062 450 H SER 56 H SER 56 3.186 -3.267 6.828 451 HA SER 56 HA SER 56 5.119 -4.705 8.426 452 1HB SER 56 1HB SER 56 2.474 -3.565 9.412 453 2HB SER 56 2HB SER 56 3.983 -3.730 10.317 454 HG SER 56 HG SER 56 3.399 -1.916 8.187 455 H THR 57 H THR 57 4.649 -6.746 7.183 456 HA THR 57 HA THR 57 2.540 -8.374 7.431 457 HB THR 57 HB THR 57 5.168 -9.553 8.218 458 HG1 THR 57 HG1 THR 57 5.982 -9.098 6.150 459 1HG2 THR 57 1HG2 THR 57 3.191 -10.002 5.931 460 2HG2 THR 57 2HG2 THR 57 4.528 -11.082 6.435 461 3HG2 THR 57 3HG2 THR 57 3.128 -10.831 7.509 462 H GLY 58 H GLY 58 1.266 -9.032 8.994 463 1HA GLY 58 1HA GLY 58 0.933 -10.261 11.078 464 2HA GLY 58 2HA GLY 58 2.382 -9.476 11.726 465 H THR 59 H THR 59 1.033 -6.885 10.261 466 HA THR 59 HA THR 59 -0.179 -6.054 12.820 467 HB THR 59 HB THR 59 -0.071 -4.482 10.227 468 HG1 THR 59 HG1 THR 59 2.033 -5.158 10.875 469 1HG2 THR 59 1HG2 THR 59 -0.139 -3.614 13.147 470 2HG2 THR 59 2HG2 THR 59 -0.190 -2.542 11.727 471 3HG2 THR 59 3HG2 THR 59 -1.544 -3.649 12.056 472 H GLU 60 H GLU 60 -2.416 -6.095 13.190 473 HA GLU 60 HA GLU 60 -4.152 -7.048 11.058 474 1HB GLU 60 1HB GLU 60 -4.969 -5.629 13.618 475 2HB GLU 60 2HB GLU 60 -5.933 -6.755 12.615 476 1HG GLU 60 1HG GLU 60 -3.352 -7.643 13.927 477 2HG GLU 60 2HG GLU 60 -4.908 -7.710 14.772 478 H VAL 61 H VAL 61 -4.573 -5.795 9.343 479 HA VAL 61 HA VAL 61 -4.890 -2.875 9.795 480 HB VAL 61 HB VAL 61 -3.854 -2.570 7.519 481 1HG1 VAL 61 1HG1 VAL 61 -2.163 -4.030 9.595 482 2HG1 VAL 61 2HG1 VAL 61 -1.528 -3.015 8.275 483 3HG1 VAL 61 3HG1 VAL 61 -2.504 -2.281 9.570 484 1HG2 VAL 61 1HG2 VAL 61 -4.200 -4.897 6.693 485 2HG2 VAL 61 2HG2 VAL 61 -2.477 -4.413 6.643 486 3HG2 VAL 61 3HG2 VAL 61 -3.063 -5.482 7.944 487 H THR 62 H THR 62 -6.604 -1.935 8.820 488 HA THR 62 HA THR 62 -8.584 -3.850 7.776 489 HB THR 62 HB THR 62 -8.922 -0.856 8.161 490 HG1 THR 62 HG1 THR 62 -8.382 -2.139 10.133 491 1HG2 THR 62 1HG2 THR 62 -11.314 -1.481 8.270 492 2HG2 THR 62 2HG2 THR 62 -10.605 -2.001 6.727 493 3HG2 THR 62 3HG2 THR 62 -10.883 -3.186 8.026 494 H LEU 63 H LEU 63 -8.894 -4.258 5.692 495 HA LEU 63 HA LEU 63 -7.491 -2.661 3.690 496 1HB LEU 63 1HB LEU 63 -7.549 -5.212 3.883 497 2HB LEU 63 2HB LEU 63 -9.234 -5.125 3.328 498 HG LEU 63 HG LEU 63 -7.546 -5.562 1.551 499 1HD1 LEU 63 1HD2 LEU 63 -9.721 -4.529 1.008 500 2HD1 LEU 63 2HD2 LEU 63 -9.012 -2.910 1.241 501 3HD1 LEU 63 3HD2 LEU 63 -8.438 -3.952 -0.082 502 1HD2 LEU 63 1HD1 LEU 63 -5.722 -4.159 2.460 503 2HD2 LEU 63 2HD1 LEU 63 -6.098 -3.714 0.779 504 3HD2 LEU 63 3HD1 LEU 63 -6.677 -2.695 2.116 505 H ILE 64 H ILE 64 -8.451 -0.990 2.909 506 HA ILE 64 HA ILE 64 -11.412 -0.702 2.876 507 HB ILE 64 HB ILE 64 -9.202 1.375 2.509 508 1HG1 ILE 64 1HG1 ILE 64 -10.831 0.703 4.964 509 2HG1 ILE 64 2HG1 ILE 64 -9.067 0.529 4.804 510 1HG2 ILE 64 1HG2 ILE 64 -12.183 1.636 3.052 511 2HG2 ILE 64 2HG2 ILE 64 -11.030 2.991 2.973 512 3HG2 ILE 64 3HG2 ILE 64 -11.358 2.011 1.521 513 1HD1 ILE 64 1HD1 ILE 64 -10.651 3.138 4.634 514 2HD1 ILE 64 2HD1 ILE 64 -9.786 2.549 6.075 515 3HD1 ILE 64 3HD1 ILE 64 -8.874 2.989 4.601 516 H ALA 65 H ALA 65 -12.356 0.208 0.977 517 HA ALA 65 HA ALA 65 -10.769 0.887 -1.308 518 1HB ALA 65 1HB ALA 65 -12.855 -1.341 -1.541 519 2HB ALA 65 2HB ALA 65 -12.052 -0.530 -2.897 520 3HB ALA 65 3HB ALA 65 -11.104 -1.560 -1.802 521 H GLN 66 H GLN 66 -11.607 2.647 -1.964 522 HA GLN 66 HA GLN 66 -14.514 3.101 -1.508 523 1HB GLN 66 1HB GLN 66 -13.097 4.165 0.209 524 2HB GLN 66 2HB GLN 66 -12.064 4.851 -1.053 525 1HG GLN 66 1HG GLN 66 -14.563 5.641 -1.848 526 2HG GLN 66 2HG GLN 66 -14.723 5.668 -0.071 527 1HE2 GLN 66 2HE2 GLN 66 -12.617 6.659 -2.752 528 2HE2 GLN 66 1HE2 GLN 66 -11.912 8.085 -1.980 529 H GLY 67 H GLY 67 -14.407 2.160 -3.669 530 1HA GLY 67 1HA GLY 67 -14.074 4.210 -5.798 531 2HA GLY 67 2HA GLY 67 -13.263 2.664 -5.903 532 H GLU 68 H GLU 68 -14.523 2.545 -7.841 533 HA GLU 68 HA GLU 68 -17.288 1.950 -7.926 534 1HB GLU 68 1HB GLU 68 -14.955 0.790 -9.511 535 2HB GLU 68 2HB GLU 68 -16.659 0.759 -10.017 536 1HG GLU 68 1HG GLU 68 -14.988 3.270 -9.529 537 2HG GLU 68 2HG GLU 68 -15.429 2.616 -11.122 538 H ASP 69 H ASP 69 -14.445 -0.038 -6.963 539 HA ASP 69 HA ASP 69 -16.333 -2.276 -6.360 540 1HB ASP 69 1HB ASP 69 -13.353 -2.545 -6.516 541 2HB ASP 69 2HB ASP 69 -14.571 -3.806 -6.621 542 H GLU 70 H GLU 70 -16.524 -0.213 -4.651 543 HA GLU 70 HA GLU 70 -14.477 0.162 -2.763 544 1HB GLU 70 1HB GLU 70 -16.463 1.622 -3.033 545 2HB GLU 70 2HB GLU 70 -17.522 0.264 -2.615 546 1HG GLU 70 1HG GLU 70 -15.781 0.424 -0.438 547 2HG GLU 70 2HG GLU 70 -16.135 2.110 -0.855 548 H GLN 71 H GLN 71 -17.484 -1.344 -1.698 549 HA GLN 71 HA GLN 71 -16.517 -3.040 0.213 550 1HB GLN 71 1HB GLN 71 -18.911 -2.991 -1.583 551 2HB GLN 71 2HB GLN 71 -18.593 -4.503 -0.702 552 1HG GLN 71 1HG GLN 71 -18.730 -1.762 0.606 553 2HG GLN 71 2HG GLN 71 -20.043 -2.955 0.592 554 1HE2 GLN 71 2HE2 GLN 71 -17.711 -5.126 0.727 555 2HE2 GLN 71 1HE2 GLN 71 -17.442 -5.178 2.461 556 H GLU 72 H GLU 72 -16.568 -3.666 -3.276 557 HA GLU 72 HA GLU 72 -16.073 -6.467 -3.066 558 1HB GLU 72 1HB GLU 72 -17.034 -5.342 -5.068 559 2HB GLU 72 2HB GLU 72 -15.522 -4.423 -5.274 560 1HG GLU 72 1HG GLU 72 -15.507 -6.237 -6.835 561 2HG GLU 72 2HG GLU 72 -14.314 -6.576 -5.576 562 H ALA 73 H ALA 73 -13.950 -3.590 -3.588 563 HA ALA 73 HA ALA 73 -11.527 -5.090 -3.891 564 1HB ALA 73 1HB ALA 73 -12.249 -2.247 -3.129 565 2HB ALA 73 2HB ALA 73 -10.594 -2.739 -3.601 566 3HB ALA 73 3HB ALA 73 -11.965 -2.827 -4.754 567 H LEU 74 H LEU 74 -12.987 -3.264 -1.199 568 HA LEU 74 HA LEU 74 -10.914 -3.776 0.667 569 1HB LEU 74 1HB LEU 74 -12.573 -3.008 2.336 570 2HB LEU 74 2HB LEU 74 -12.505 -1.999 0.871 571 HG LEU 74 HG LEU 74 -14.424 -3.645 0.052 572 1HD1 LEU 74 1HD1 LEU 74 -14.400 -4.969 2.141 573 2HD1 LEU 74 2HD1 LEU 74 -14.767 -3.491 3.076 574 3HD1 LEU 74 3HD1 LEU 74 -15.956 -4.129 1.911 575 1HD2 LEU 74 1HD2 LEU 74 -14.499 -1.189 0.186 576 2HD2 LEU 74 2HD2 LEU 74 -16.022 -1.921 0.728 577 3HD2 LEU 74 3HD2 LEU 74 -14.862 -1.290 1.922 578 H GLU 75 H GLU 75 -13.992 -5.628 0.081 579 HA GLU 75 HA GLU 75 -13.418 -7.546 2.111 580 1HB GLU 75 1HB GLU 75 -15.072 -7.828 -0.424 581 2HB GLU 75 2HB GLU 75 -15.053 -8.969 0.940 582 1HG GLU 75 1HG GLU 75 -15.886 -6.055 1.059 583 2HG GLU 75 2HG GLU 75 -16.978 -7.452 1.100 584 H LYS 76 H LYS 76 -12.903 -7.775 -1.499 585 HA LYS 76 HA LYS 76 -11.810 -10.374 -1.357 586 1HB LYS 76 1HB LYS 76 -10.749 -9.943 -3.458 587 2HB LYS 76 2HB LYS 76 -12.421 -9.346 -3.511 588 1HG LYS 76 1HG LYS 76 -11.671 -7.080 -3.487 589 2HG LYS 76 2HG LYS 76 -10.046 -7.544 -2.904 590 1HD LYS 76 1HD LYS 76 -9.715 -8.883 -5.019 591 2HD LYS 76 2HD LYS 76 -11.231 -8.190 -5.634 592 1HE LYS 76 1HE LYS 76 -10.272 -5.913 -5.364 593 2HE LYS 76 2HE LYS 76 -8.730 -6.628 -4.839 594 1HZ LYS 76 1HZ LYS 76 -10.065 -7.058 -7.429 595 2HZ LYS 76 2HZ LYS 76 -8.803 -6.039 -7.171 596 3HZ LYS 76 3HZ LYS 76 -8.590 -7.669 -7.012 597 H LEU 77 H LEU 77 -10.137 -7.166 -1.073 598 HA LEU 77 HA LEU 77 -7.657 -8.489 -0.805 599 1HB LEU 77 1HB LEU 77 -8.429 -5.913 -1.269 600 2HB LEU 77 2HB LEU 77 -7.759 -5.857 0.406 601 HG LEU 77 HG LEU 77 -5.972 -7.525 -0.563 602 1HD1 LEU 77 1HD2 LEU 77 -7.268 -6.248 -3.020 603 2HD1 LEU 77 2HD2 LEU 77 -5.751 -7.196 -3.058 604 3HD1 LEU 77 3HD2 LEU 77 -7.302 -7.985 -2.627 605 1HD2 LEU 77 1HD1 LEU 77 -6.464 -4.706 -1.441 606 2HD2 LEU 77 2HD1 LEU 77 -5.758 -5.251 0.119 607 3HD2 LEU 77 3HD1 LEU 77 -4.836 -5.513 -1.426 608 H ALA 78 H ALA 78 -9.879 -7.222 1.787 609 HA ALA 78 HA ALA 78 -8.033 -7.938 3.862 610 1HB ALA 78 1HB ALA 78 -11.071 -7.954 3.996 611 2HB ALA 78 2HB ALA 78 -9.949 -8.049 5.374 612 3HB ALA 78 3HB ALA 78 -9.998 -6.583 4.384 613 H ALA 79 H ALA 79 -10.139 -9.885 1.774 614 HA ALA 79 HA ALA 79 -9.904 -12.348 3.228 615 1HB ALA 79 1HB ALA 79 -11.464 -11.906 1.292 616 2HB ALA 79 2HB ALA 79 -10.024 -11.804 0.234 617 3HB ALA 79 3HB ALA 79 -10.432 -13.340 1.035 618 H TYR 80 H TYR 80 -8.023 -10.815 0.545 619 HA TYR 80 HA TYR 80 -6.188 -12.973 0.285 620 1HB TYR 80 1HB TYR 80 -6.831 -11.381 -1.443 621 2HB TYR 80 2HB TYR 80 -6.091 -10.060 -0.536 622 HD1 TYR 80 HD1 TYR 80 -4.888 -13.514 -1.403 623 HD2 TYR 80 HD2 TYR 80 -4.047 -9.293 -1.291 624 HE1 TYR 80 HE1 TYR 80 -2.461 -13.995 -1.523 625 HE2 TYR 80 HE2 TYR 80 -1.608 -9.779 -1.472 626 HH TYR 80 HH TYR 80 -0.391 -13.113 -1.190 627 H VAL 81 H VAL 81 -5.643 -9.703 1.542 628 HA VAL 81 HA VAL 81 -2.966 -9.704 2.035 629 HB VAL 81 HB VAL 81 -3.410 -7.877 3.582 630 1HG1 VAL 81 1HG1 VAL 81 -3.814 -7.609 1.109 631 2HG1 VAL 81 2HG1 VAL 81 -5.519 -8.020 1.389 632 3HG1 VAL 81 3HG1 VAL 81 -4.844 -6.536 2.099 633 1HG2 VAL 81 1HG2 VAL 81 -5.218 -8.994 4.886 634 2HG2 VAL 81 2HG2 VAL 81 -5.744 -7.399 4.296 635 3HG2 VAL 81 3HG2 VAL 81 -6.291 -8.882 3.475 636 H GLN 82 H GLN 82 -5.383 -11.133 4.151 637 HA GLN 82 HA GLN 82 -3.406 -11.709 6.286 638 1HB GLN 82 1HB GLN 82 -5.573 -12.344 7.469 639 2HB GLN 82 2HB GLN 82 -5.679 -10.701 6.779 640 1HG GLN 82 1HG GLN 82 -7.061 -11.485 5.034 641 2HG GLN 82 2HG GLN 82 -6.325 -13.066 5.093 642 1HE2 GLN 82 2HE2 GLN 82 -9.065 -11.885 5.306 643 2HE2 GLN 82 1HE2 GLN 82 -9.868 -12.802 6.597 644 H GLU 83 H GLU 83 -4.590 -13.176 3.534 645 HA GLU 83 HA GLU 83 -5.831 -15.550 4.445 646 1HB GLU 83 1HB GLU 83 -6.264 -14.146 2.501 647 2HB GLU 83 2HB GLU 83 -4.777 -14.717 1.720 648 1HG GLU 83 1HG GLU 83 -5.698 -17.029 1.693 649 2HG GLU 83 2HG GLU 83 -7.176 -16.432 2.487 650 H GLU 84 H GLU 84 -2.738 -15.242 2.608 651 HA GLU 84 HA GLU 84 -2.243 -18.074 3.340 652 1HB GLU 84 1HB GLU 84 -0.327 -17.851 1.690 653 2HB GLU 84 2HB GLU 84 -1.940 -17.620 0.999 654 1HG GLU 84 1HG GLU 84 -1.698 -15.199 1.079 655 2HG GLU 84 2HG GLU 84 -0.115 -15.343 1.869 656 H VAL 85 H VAL 85 0.718 -16.792 2.834 657 HA VAL 85 HA VAL 85 1.340 -15.319 5.261 658 HB VAL 85 HB VAL 85 3.064 -17.099 5.983 659 1HG1 VAL 85 1HG1 VAL 85 0.137 -17.935 6.570 660 2HG1 VAL 85 2HG1 VAL 85 1.576 -18.487 7.464 661 3HG1 VAL 85 3HG1 VAL 85 1.115 -16.795 7.526 662 1HG2 VAL 85 1HG2 VAL 85 2.882 -18.677 4.007 663 2HG2 VAL 85 2HG2 VAL 85 2.651 -19.510 5.548 664 3HG2 VAL 85 3HG2 VAL 85 1.242 -19.137 4.522 Start of MODEL 18 1 1H VAL 2 1H VAL 2 -15.988 6.277 -2.877 2 2H VAL 2 2H VAL 2 -16.561 4.982 -3.783 3 3H VAL 2 3H VAL 2 -17.532 6.333 -3.541 4 HA VAL 2 HA VAL 2 -17.660 5.918 -1.231 5 HB VAL 2 HB VAL 2 -18.981 3.835 -1.310 6 1HG1 VAL 2 1HG2 VAL 2 -19.943 5.965 -2.109 7 2HG1 VAL 2 2HG2 VAL 2 -19.316 5.641 -3.742 8 3HG1 VAL 2 3HG2 VAL 2 -20.571 4.589 -3.048 9 1HG2 VAL 2 1HG1 VAL 2 -17.901 3.604 -4.153 10 2HG2 VAL 2 2HG1 VAL 2 -17.540 2.510 -2.802 11 3HG2 VAL 2 3HG1 VAL 2 -19.197 2.607 -3.446 12 H GLN 3 H GLN 3 -16.713 5.135 0.596 13 HA GLN 3 HA GLN 3 -14.426 3.283 0.150 14 1HB GLN 3 1HB GLN 3 -13.947 5.745 0.748 15 2HB GLN 3 2HB GLN 3 -14.738 5.400 2.303 16 1HG GLN 3 1HG GLN 3 -13.031 3.423 2.487 17 2HG GLN 3 2HG GLN 3 -12.166 4.251 1.192 18 1HE2 GLN 3 2HE2 GLN 3 -12.337 3.933 4.507 19 2HE2 GLN 3 1HE2 GLN 3 -11.675 5.494 4.957 20 H GLN 4 H GLN 4 -14.362 1.473 1.333 21 HA GLN 4 HA GLN 4 -15.581 1.423 3.997 22 1HB GLN 4 1HB GLN 4 -17.061 0.356 1.870 23 2HB GLN 4 2HB GLN 4 -16.231 -1.057 2.547 24 1HG GLN 4 1HG GLN 4 -17.900 0.951 4.125 25 2HG GLN 4 2HG GLN 4 -18.424 -0.680 3.636 26 1HE2 GLN 4 2HE2 GLN 4 -17.292 -2.529 4.531 27 2HE2 GLN 4 1HE2 GLN 4 -16.207 -2.385 5.928 28 H LYS 5 H LYS 5 -14.706 -0.658 5.192 29 HA LYS 5 HA LYS 5 -12.460 -1.923 3.807 30 1HB LYS 5 1HB LYS 5 -11.001 -1.438 5.750 31 2HB LYS 5 2HB LYS 5 -11.420 0.003 4.811 32 1HG LYS 5 1HG LYS 5 -13.031 -0.770 7.251 33 2HG LYS 5 2HG LYS 5 -11.501 0.129 7.409 34 1HD LYS 5 1HD LYS 5 -12.315 1.926 6.016 35 2HD LYS 5 2HD LYS 5 -13.820 1.042 5.671 36 1HE LYS 5 1HE LYS 5 -12.909 1.974 8.429 37 2HE LYS 5 2HE LYS 5 -14.138 2.770 7.427 38 1HZ LYS 5 1HZ LYS 5 -15.413 0.733 7.500 39 2HZ LYS 5 2HZ LYS 5 -14.299 0.040 8.497 40 3HZ LYS 5 3HZ LYS 5 -15.161 1.347 9.011 41 H VAL 6 H VAL 6 -11.716 -3.779 4.843 42 HA VAL 6 HA VAL 6 -13.311 -4.884 7.094 43 HB VAL 6 HB VAL 6 -13.250 -7.100 5.901 44 1HG1 VAL 6 1HG1 VAL 6 -15.280 -5.689 5.946 45 2HG1 VAL 6 2HG1 VAL 6 -14.722 -4.840 4.485 46 3HG1 VAL 6 3HG1 VAL 6 -15.145 -6.569 4.402 47 1HG2 VAL 6 1HG2 VAL 6 -11.452 -6.557 4.272 48 2HG2 VAL 6 2HG2 VAL 6 -12.938 -7.103 3.453 49 3HG2 VAL 6 3HG2 VAL 6 -12.525 -5.373 3.492 50 H GLU 7 H GLU 7 -11.843 -5.406 8.714 51 HA GLU 7 HA GLU 7 -9.020 -5.358 7.901 52 1HB GLU 7 1HB GLU 7 -9.779 -4.025 9.867 53 2HB GLU 7 2HB GLU 7 -10.288 -5.525 10.681 54 1HG GLU 7 1HG GLU 7 -8.031 -6.291 10.879 55 2HG GLU 7 2HG GLU 7 -7.447 -5.067 9.740 56 H VAL 8 H VAL 8 -7.465 -6.762 8.489 57 HA VAL 8 HA VAL 8 -8.073 -9.496 9.336 58 HB VAL 8 HB VAL 8 -6.864 -10.280 7.156 59 1HG1 VAL 8 1HG1 VAL 8 -9.721 -9.256 7.203 60 2HG1 VAL 8 2HG1 VAL 8 -9.037 -10.390 5.994 61 3HG1 VAL 8 3HG1 VAL 8 -9.119 -10.869 7.704 62 1HG2 VAL 8 1HG2 VAL 8 -8.016 -7.597 6.251 63 2HG2 VAL 8 2HG2 VAL 8 -6.288 -8.024 6.311 64 3HG2 VAL 8 3HG2 VAL 8 -7.365 -8.874 5.178 65 H ARG 9 H ARG 9 -5.757 -10.759 8.951 66 HA ARG 9 HA ARG 9 -3.857 -8.721 9.987 67 1HB ARG 9 1HB ARG 9 -3.856 -10.670 11.373 68 2HB ARG 9 2HB ARG 9 -3.555 -11.755 9.983 69 1HG ARG 9 1HG ARG 9 -1.625 -9.495 10.383 70 2HG ARG 9 2HG ARG 9 -1.569 -10.781 11.572 71 1HD ARG 9 1HD ARG 9 -1.475 -11.185 8.523 72 2HD ARG 9 2HD ARG 9 -0.070 -11.205 9.595 73 HE ARG 9 HE ARG 9 -0.756 -13.260 10.507 74 1HH1 ARG 9 1HH2 ARG 9 -3.066 -12.121 8.039 75 2HH1 ARG 9 2HH2 ARG 9 -3.538 -13.739 7.592 76 1HH2 ARG 9 2HH1 ARG 9 -1.509 -15.357 9.966 77 2HH2 ARG 9 1HH1 ARG 9 -2.730 -15.560 8.737 78 H LEU 10 H LEU 10 -2.459 -7.861 8.810 79 HA LEU 10 HA LEU 10 -2.185 -8.189 6.003 80 1HB LEU 10 1HB LEU 10 -1.938 -6.104 7.317 81 2HB LEU 10 2HB LEU 10 -0.588 -6.815 8.209 82 HG LEU 10 HG LEU 10 0.795 -6.820 6.168 83 1HD1 LEU 10 1HD1 LEU 10 -1.640 -5.458 4.926 84 2HD1 LEU 10 2HD1 LEU 10 -0.032 -5.619 4.177 85 3HD1 LEU 10 3HD1 LEU 10 -1.014 -7.070 4.489 86 1HD2 LEU 10 1HD2 LEU 10 0.706 -4.980 7.784 87 2HD2 LEU 10 2HD2 LEU 10 1.034 -4.391 6.135 88 3HD2 LEU 10 3HD2 LEU 10 -0.594 -4.197 6.842 89 H LYS 11 H LYS 11 -1.793 -10.614 6.256 90 HA LYS 11 HA LYS 11 0.787 -11.547 7.217 91 1HB LYS 11 1HB LYS 11 -0.915 -13.070 7.457 92 2HB LYS 11 2HB LYS 11 -1.694 -12.686 5.920 93 1HG LYS 11 1HG LYS 11 0.992 -14.103 6.116 94 2HG LYS 11 2HG LYS 11 -0.580 -14.937 6.020 95 1HD LYS 11 1HD LYS 11 0.600 -13.073 3.921 96 2HD LYS 11 2HD LYS 11 0.216 -14.803 3.776 97 1HE LYS 11 1HE LYS 11 -2.168 -14.325 4.160 98 2HE LYS 11 2HE LYS 11 -1.770 -12.576 4.261 99 1HZ LYS 11 1HZ LYS 11 -1.298 -14.259 1.911 100 2HZ LYS 11 2HZ LYS 11 -2.529 -13.173 2.090 101 3HZ LYS 11 3HZ LYS 11 -0.976 -12.651 2.068 102 H THR 12 H THR 12 -0.545 -10.326 4.162 103 HA THR 12 HA THR 12 1.566 -11.171 2.443 104 HB THR 12 HB THR 12 1.014 -8.855 1.356 105 HG1 THR 12 HG1 THR 12 -0.965 -8.005 2.100 106 1HG2 THR 12 1HG2 THR 12 -1.267 -10.854 1.666 107 2HG2 THR 12 2HG2 THR 12 -0.985 -9.731 0.306 108 3HG2 THR 12 3HG2 THR 12 0.136 -11.077 0.596 109 H GLY 13 H GLY 13 1.075 -8.455 4.680 110 1HA GLY 13 1HA GLY 13 2.374 -6.765 5.468 111 2HA GLY 13 2HA GLY 13 3.662 -7.967 5.611 112 H LEU 14 H LEU 14 2.165 -7.068 2.654 113 HA LEU 14 HA LEU 14 3.112 -6.385 0.617 114 1HB LEU 14 1HB LEU 14 2.935 -4.089 2.506 115 2HB LEU 14 2HB LEU 14 3.070 -3.907 0.754 116 HG LEU 14 HG LEU 14 0.703 -4.366 2.299 117 1HD1 LEU 14 1HD1 LEU 14 1.049 -2.860 0.360 118 2HD1 LEU 14 2HD1 LEU 14 1.135 -4.281 -0.711 119 3HD1 LEU 14 3HD1 LEU 14 -0.371 -3.916 0.165 120 1HD2 LEU 14 1HD2 LEU 14 1.218 -6.602 0.307 121 2HD2 LEU 14 2HD2 LEU 14 0.857 -6.760 2.044 122 3HD2 LEU 14 3HD2 LEU 14 -0.381 -6.134 0.933 123 H GLN 15 H GLN 15 5.101 -7.653 1.015 124 HA GLN 15 HA GLN 15 7.481 -5.962 1.590 125 1HB GLN 15 1HB GLN 15 7.110 -8.945 1.190 126 2HB GLN 15 2HB GLN 15 8.691 -8.173 1.491 127 1HG GLN 15 1HG GLN 15 8.058 -7.452 3.659 128 2HG GLN 15 2HG GLN 15 6.328 -7.568 3.282 129 1HE2 GLN 15 1HE2 GLN 15 5.200 -9.450 3.653 130 2HE2 GLN 15 2HE2 GLN 15 5.936 -10.944 4.130 131 H ALA 16 H ALA 16 5.821 -7.769 -0.994 132 HA ALA 16 HA ALA 16 6.696 -5.905 -2.946 133 1HB ALA 16 1HB ALA 16 8.902 -6.916 -2.619 134 2HB ALA 16 2HB ALA 16 8.233 -8.522 -2.999 135 3HB ALA 16 3HB ALA 16 8.276 -7.256 -4.251 136 H ARG 17 H ARG 17 6.110 -9.460 -2.741 137 HA ARG 17 HA ARG 17 4.998 -9.407 -5.434 138 1HB ARG 17 1HB ARG 17 4.962 -11.721 -3.464 139 2HB ARG 17 2HB ARG 17 4.706 -11.770 -5.222 140 1HG ARG 17 1HG ARG 17 6.948 -12.271 -5.264 141 2HG ARG 17 2HG ARG 17 7.112 -10.503 -5.119 142 1HD ARG 17 1HD ARG 17 6.951 -10.944 -2.545 143 2HD ARG 17 2HD ARG 17 7.309 -12.623 -2.944 144 HE ARG 17 HE ARG 17 9.383 -11.666 -4.117 145 1HH1 ARG 17 2HH1 ARG 17 7.787 -10.115 -1.358 146 2HH1 ARG 17 1HH1 ARG 17 9.231 -9.302 -0.802 147 1HH2 ARG 17 1HH2 ARG 17 11.278 -10.596 -3.396 148 2HH2 ARG 17 2HH2 ARG 17 11.246 -9.582 -1.979 149 HA PRO 18 HA PRO 18 0.793 -10.133 -3.474 150 1HB PRO 18 1HB PRO 18 0.464 -10.546 -0.799 151 2HB PRO 18 2HB PRO 18 0.970 -11.897 -1.874 152 1HG PRO 18 1HG PRO 18 2.820 -10.026 -0.313 153 2HG PRO 18 2HG PRO 18 2.746 -11.819 -0.240 154 1HD PRO 18 1HD PRO 18 4.506 -10.593 -1.882 155 2HD PRO 18 2HD PRO 18 3.581 -12.008 -2.482 156 H ALA 19 H ALA 19 3.191 -8.284 -1.710 157 HA ALA 19 HA ALA 19 1.617 -6.268 -0.601 158 1HB ALA 19 1HB ALA 19 4.113 -6.633 -0.591 159 2HB ALA 19 2HB ALA 19 4.127 -6.071 -2.287 160 3HB ALA 19 3HB ALA 19 3.652 -4.949 -0.970 161 H ALA 20 H ALA 20 3.041 -6.361 -3.885 162 HA ALA 20 HA ALA 20 1.431 -4.013 -4.755 163 1HB ALA 20 1HB ALA 20 3.317 -5.910 -6.262 164 2HB ALA 20 2HB ALA 20 2.609 -4.413 -6.910 165 3HB ALA 20 3HB ALA 20 3.778 -4.337 -5.569 166 H LEU 21 H LEU 21 1.380 -7.584 -5.032 167 HA LEU 21 HA LEU 21 -0.644 -7.670 -7.023 168 1HB LEU 21 1HB LEU 21 0.720 -9.582 -6.037 169 2HB LEU 21 2HB LEU 21 -0.470 -9.644 -4.719 170 HG LEU 21 HG LEU 21 -1.197 -9.709 -7.683 171 1HD1 LEU 21 1HD1 LEU 21 -0.778 -12.029 -5.762 172 2HD1 LEU 21 2HD1 LEU 21 -1.448 -12.159 -7.405 173 3HD1 LEU 21 3HD1 LEU 21 0.236 -11.632 -7.170 174 1HD2 LEU 21 1HD2 LEU 21 -3.012 -9.074 -6.113 175 2HD2 LEU 21 2HD2 LEU 21 -3.317 -10.656 -6.864 176 3HD2 LEU 21 3HD2 LEU 21 -2.726 -10.566 -5.186 177 H PHE 22 H PHE 22 -0.849 -7.480 -3.481 178 HA PHE 22 HA PHE 22 -3.564 -7.175 -2.906 179 1HB PHE 22 1HB PHE 22 -1.825 -7.243 -1.208 180 2HB PHE 22 2HB PHE 22 -0.973 -5.915 -1.971 181 HD1 PHE 22 HD1 PHE 22 -1.309 -3.685 -1.477 182 HD2 PHE 22 HD2 PHE 22 -4.045 -6.651 0.020 183 HE1 PHE 22 HE1 PHE 22 -2.329 -1.981 -0.016 184 HE2 PHE 22 HE2 PHE 22 -5.085 -4.942 1.484 185 HZ PHE 22 HZ PHE 22 -4.224 -2.611 1.499 186 H VAL 23 H VAL 23 -1.237 -4.484 -3.470 187 HA VAL 23 HA VAL 23 -3.123 -2.466 -3.642 188 HB VAL 23 HB VAL 23 -1.418 -1.105 -4.395 189 1HG1 VAL 23 1HG1 VAL 23 -0.675 -2.080 -2.351 190 2HG1 VAL 23 2HG1 VAL 23 0.180 -3.367 -3.240 191 3HG1 VAL 23 3HG1 VAL 23 0.673 -1.663 -3.410 192 1HG2 VAL 23 1HG2 VAL 23 -1.317 -2.030 -6.557 193 2HG2 VAL 23 2HG2 VAL 23 0.304 -1.632 -5.943 194 3HG2 VAL 23 3HG2 VAL 23 -0.270 -3.339 -5.993 195 H GLN 24 H GLN 24 -1.961 -4.621 -6.157 196 HA GLN 24 HA GLN 24 -3.100 -3.396 -8.457 197 1HB GLN 24 1HB GLN 24 -1.070 -4.627 -8.538 198 2HB GLN 24 2HB GLN 24 -1.796 -6.047 -7.770 199 1HG GLN 24 1HG GLN 24 -3.038 -5.138 -10.310 200 2HG GLN 24 2HG GLN 24 -1.410 -5.856 -10.421 201 1HE2 GLN 24 2HE2 GLN 24 -4.790 -6.497 -9.760 202 2HE2 GLN 24 1HE2 GLN 24 -4.593 -8.223 -9.431 203 H GLU 25 H GLU 25 -4.237 -5.853 -6.159 204 HA GLU 25 HA GLU 25 -6.460 -6.710 -7.834 205 1HB GLU 25 1HB GLU 25 -5.929 -6.823 -4.814 206 2HB GLU 25 2HB GLU 25 -7.254 -7.694 -5.630 207 1HG GLU 25 1HG GLU 25 -4.333 -8.020 -6.358 208 2HG GLU 25 2HG GLU 25 -5.150 -9.052 -5.158 209 H ALA 26 H ALA 26 -5.937 -4.543 -5.105 210 HA ALA 26 HA ALA 26 -8.507 -3.358 -4.875 211 1HB ALA 26 1HB ALA 26 -5.712 -2.158 -4.664 212 2HB ALA 26 2HB ALA 26 -7.184 -1.430 -3.984 213 3HB ALA 26 3HB ALA 26 -6.584 -2.983 -3.346 214 H ASN 27 H ASN 27 -5.650 -2.378 -6.683 215 HA ASN 27 HA ASN 27 -6.341 -0.264 -8.223 216 1HB ASN 27 1HB ASN 27 -4.555 -2.653 -8.336 217 2HB ASN 27 2HB ASN 27 -5.030 -2.156 -9.930 218 1HD2 ASN 27 2HD2 ASN 27 -3.725 -0.749 -6.878 219 2HD2 ASN 27 1HD2 ASN 27 -2.724 0.480 -7.640 220 H ARG 28 H ARG 28 -6.578 -3.655 -8.988 221 HA ARG 28 HA ARG 28 -7.434 -3.725 -11.597 222 1HB ARG 28 1HB ARG 28 -6.730 -5.379 -9.568 223 2HB ARG 28 2HB ARG 28 -8.439 -5.818 -9.727 224 1HG ARG 28 1HG ARG 28 -6.919 -5.504 -12.280 225 2HG ARG 28 2HG ARG 28 -6.357 -6.784 -11.185 226 1HD ARG 28 1HD ARG 28 -9.172 -6.367 -12.294 227 2HD ARG 28 2HD ARG 28 -8.138 -7.782 -12.584 228 HE ARG 28 HE ARG 28 -9.939 -7.348 -10.404 229 1HH1 ARG 28 2HH1 ARG 28 -6.755 -8.682 -11.068 230 2HH1 ARG 28 1HH1 ARG 28 -6.601 -9.510 -9.536 231 1HH2 ARG 28 1HH2 ARG 28 -9.804 -8.441 -8.409 232 2HH2 ARG 28 2HH2 ARG 28 -8.393 -9.408 -8.019 233 H PHE 29 H PHE 29 -9.305 -2.823 -8.789 234 HA PHE 29 HA PHE 29 -11.808 -3.233 -10.302 235 1HB PHE 29 1HB PHE 29 -11.112 -2.442 -7.461 236 2HB PHE 29 2HB PHE 29 -12.767 -2.369 -8.104 237 HD1 PHE 29 HD1 PHE 29 -12.102 -4.080 -5.757 238 HD2 PHE 29 HD2 PHE 29 -11.787 -4.934 -9.963 239 HE1 PHE 29 HE1 PHE 29 -12.351 -6.514 -5.291 240 HE2 PHE 29 HE2 PHE 29 -12.134 -7.351 -9.505 241 HZ PHE 29 HZ PHE 29 -12.425 -8.138 -7.157 242 H THR 30 H THR 30 -11.049 -0.500 -8.186 243 HA THR 30 HA THR 30 -10.667 1.428 -10.292 244 HB THR 30 HB THR 30 -12.791 2.723 -9.601 245 HG1 THR 30 HG1 THR 30 -13.721 0.100 -9.012 246 1HG2 THR 30 1HG2 THR 30 -14.238 1.532 -11.249 247 2HG2 THR 30 2HG2 THR 30 -12.585 1.828 -11.839 248 3HG2 THR 30 3HG2 THR 30 -13.041 0.207 -11.282 249 H SER 31 H SER 31 -12.239 1.026 -7.231 250 HA SER 31 HA SER 31 -12.042 2.931 -5.595 251 1HB SER 31 1HB SER 31 -10.874 0.239 -4.885 252 2HB SER 31 2HB SER 31 -11.825 1.320 -3.833 253 HG SER 31 HG SER 31 -13.047 -0.434 -4.851 254 H ASP 32 H ASP 32 -10.953 4.284 -4.520 255 HA ASP 32 HA ASP 32 -8.028 4.351 -4.659 256 1HB ASP 32 1HB ASP 32 -9.626 6.358 -4.621 257 2HB ASP 32 2HB ASP 32 -9.938 5.917 -2.918 258 H VAL 33 H VAL 33 -7.614 2.367 -3.812 259 HA VAL 33 HA VAL 33 -8.922 1.318 -1.493 260 HB VAL 33 HB VAL 33 -6.503 0.406 -3.074 261 1HG1 VAL 33 1HG1 VAL 33 -8.295 -1.131 -1.147 262 2HG1 VAL 33 2HG1 VAL 33 -7.002 -1.832 -2.156 263 3HG1 VAL 33 3HG1 VAL 33 -6.597 -0.680 -0.861 264 1HG2 VAL 33 1HG2 VAL 33 -9.503 -0.166 -3.201 265 2HG2 VAL 33 2HG2 VAL 33 -8.563 0.813 -4.335 266 3HG2 VAL 33 3HG2 VAL 33 -8.266 -0.934 -4.243 267 H PHE 34 H PHE 34 -8.075 0.703 0.510 268 HA PHE 34 HA PHE 34 -5.701 2.231 1.394 269 1HB PHE 34 1HB PHE 34 -8.297 2.244 2.964 270 2HB PHE 34 2HB PHE 34 -6.750 2.954 3.410 271 HD1 PHE 34 HD1 PHE 34 -9.238 4.477 3.564 272 HD2 PHE 34 HD2 PHE 34 -6.570 3.940 0.225 273 HE1 PHE 34 HE1 PHE 34 -10.018 6.619 2.593 274 HE2 PHE 34 HE2 PHE 34 -7.443 6.033 -0.795 275 HZ PHE 34 HZ PHE 34 -9.074 7.428 0.438 276 H LEU 35 H LEU 35 -4.910 1.512 3.494 277 HA LEU 35 HA LEU 35 -5.869 -1.112 4.459 278 1HB LEU 35 1HB LEU 35 -4.102 -1.579 2.781 279 2HB LEU 35 2HB LEU 35 -2.962 -0.563 3.692 280 HG LEU 35 HG LEU 35 -4.418 -2.894 4.986 281 1HD1 LEU 35 1HD2 LEU 35 -1.762 -2.946 3.499 282 2HD1 LEU 35 2HD2 LEU 35 -2.446 -4.282 4.460 283 3HD1 LEU 35 3HD2 LEU 35 -3.265 -3.740 2.977 284 1HD2 LEU 35 1HD1 LEU 35 -1.756 -1.484 5.504 285 2HD2 LEU 35 2HD1 LEU 35 -3.250 -1.249 6.443 286 3HD2 LEU 35 3HD1 LEU 35 -2.425 -2.825 6.471 287 H GLU 36 H GLU 36 -6.019 -0.911 6.671 288 HA GLU 36 HA GLU 36 -4.461 1.366 7.849 289 1HB GLU 36 1HB GLU 36 -6.954 0.802 9.203 290 2HB GLU 36 2HB GLU 36 -6.337 2.322 8.576 291 1HG GLU 36 1HG GLU 36 -7.242 1.893 6.405 292 2HG GLU 36 2HG GLU 36 -7.523 0.199 6.759 293 H LYS 37 H LYS 37 -2.990 0.564 9.286 294 HA LYS 37 HA LYS 37 -3.171 -2.078 10.493 295 1HB LYS 37 1HB LYS 37 -1.445 0.351 11.095 296 2HB LYS 37 2HB LYS 37 -1.248 -1.243 11.848 297 1HG LYS 37 1HG LYS 37 -0.890 -2.250 9.583 298 2HG LYS 37 2HG LYS 37 -0.956 -0.618 8.880 299 1HD LYS 37 1HD LYS 37 1.415 -1.347 9.373 300 2HD LYS 37 2HD LYS 37 0.933 0.105 10.275 301 1HE LYS 37 1HE LYS 37 0.432 -1.307 12.258 302 2HE LYS 37 2HE LYS 37 0.913 -2.756 11.342 303 1HZ LYS 37 1HZ LYS 37 3.072 -1.760 11.071 304 2HZ LYS 37 2HZ LYS 37 2.643 -0.489 12.030 305 3HZ LYS 37 3HZ LYS 37 2.704 -2.012 12.664 306 H ASP 38 H ASP 38 -4.995 -2.338 11.719 307 HA ASP 38 HA ASP 38 -6.574 -2.001 13.322 308 1HB ASP 38 1HB ASP 38 -4.186 -0.834 14.779 309 2HB ASP 38 2HB ASP 38 -5.690 -1.390 15.542 310 H GLY 39 H GLY 39 -6.240 0.137 11.315 311 1HA GLY 39 1HA GLY 39 -7.843 2.102 11.495 312 2HA GLY 39 2HA GLY 39 -7.022 2.446 13.033 313 H LYS 40 H LYS 40 -4.303 1.683 11.769 314 HA LYS 40 HA LYS 40 -3.667 4.366 10.885 315 1HB LYS 40 1HB LYS 40 -1.945 1.872 10.719 316 2HB LYS 40 2HB LYS 40 -1.412 3.563 10.787 317 1HG LYS 40 1HG LYS 40 -2.584 3.640 13.111 318 2HG LYS 40 2HG LYS 40 -2.670 1.866 12.982 319 1HD LYS 40 1HD LYS 40 -0.657 2.426 14.215 320 2HD LYS 40 2HD LYS 40 -0.166 1.850 12.605 321 1HE LYS 40 1HE LYS 40 0.000 4.220 11.838 322 2HE LYS 40 2HE LYS 40 -0.473 4.767 13.459 323 1HZ LYS 40 1HZ LYS 40 1.500 3.692 14.313 324 2HZ LYS 40 2HZ LYS 40 1.947 3.237 12.791 325 3HZ LYS 40 3HZ LYS 40 1.877 4.834 13.189 326 H LYS 41 H LYS 41 -5.251 4.327 9.085 327 HA LYS 41 HA LYS 41 -4.627 2.506 6.924 328 1HB LYS 41 1HB LYS 41 -6.705 2.703 6.567 329 2HB LYS 41 2HB LYS 41 -6.890 3.971 7.751 330 1HG LYS 41 1HG LYS 41 -6.164 4.291 4.771 331 2HG LYS 41 2HG LYS 41 -7.804 4.436 5.412 332 1HD LYS 41 1HD LYS 41 -7.142 6.414 6.713 333 2HD LYS 41 2HD LYS 41 -5.444 6.211 6.216 334 1HE LYS 41 1HE LYS 41 -7.794 6.636 4.320 335 2HE LYS 41 2HE LYS 41 -6.645 7.904 4.814 336 1HZ LYS 41 1HZ LYS 41 -5.992 5.441 3.343 337 2HZ LYS 41 2HZ LYS 41 -6.090 6.950 2.703 338 3HZ LYS 41 3HZ LYS 41 -4.908 6.600 3.804 339 H VAL 42 H VAL 42 -4.158 2.892 4.906 340 HA VAL 42 HA VAL 42 -3.101 5.494 3.989 341 HB VAL 42 HB VAL 42 -1.256 4.314 5.078 342 1HG1 VAL 42 1HG2 VAL 42 -2.180 2.042 4.893 343 2HG1 VAL 42 2HG2 VAL 42 -1.935 2.067 3.134 344 3HG1 VAL 42 3HG2 VAL 42 -0.526 2.079 4.232 345 1HG2 VAL 42 1HG1 VAL 42 -0.713 5.642 3.139 346 2HG2 VAL 42 2HG1 VAL 42 0.356 4.219 3.271 347 3HG2 VAL 42 3HG1 VAL 42 -0.973 4.223 2.085 348 H ASN 43 H ASN 43 -2.328 5.101 1.630 349 HA ASN 43 HA ASN 43 -4.689 4.011 0.252 350 1HB ASN 43 1HB ASN 43 -3.532 6.235 -0.316 351 2HB ASN 43 2HB ASN 43 -2.208 5.254 -0.994 352 1HD2 ASN 43 2HD2 ASN 43 -5.043 6.872 -1.700 353 2HD2 ASN 43 1HD2 ASN 43 -5.488 6.047 -3.174 354 H ALA 44 H ALA 44 -4.699 1.996 0.378 355 HA ALA 44 HA ALA 44 -2.665 0.107 0.554 356 1HB ALA 44 1HB ALA 44 -5.464 -0.092 -0.630 357 2HB ALA 44 2HB ALA 44 -4.476 -1.489 -0.167 358 3HB ALA 44 3HB ALA 44 -5.037 -0.344 1.078 359 H LYS 45 H LYS 45 -4.285 1.443 -2.299 360 HA LYS 45 HA LYS 45 -3.007 -0.518 -4.087 361 1HB LYS 45 1HB LYS 45 -4.156 0.802 -5.866 362 2HB LYS 45 2HB LYS 45 -5.255 0.119 -4.649 363 1HG LYS 45 1HG LYS 45 -5.512 2.262 -3.561 364 2HG LYS 45 2HG LYS 45 -4.158 2.947 -4.449 365 1HD LYS 45 1HD LYS 45 -6.851 2.119 -5.654 366 2HD LYS 45 2HD LYS 45 -6.187 3.760 -5.476 367 1HE LYS 45 1HE LYS 45 -4.995 1.523 -7.172 368 2HE LYS 45 2HE LYS 45 -5.911 2.917 -7.782 369 1HZ LYS 45 1HZ LYS 45 -4.197 4.336 -6.882 370 2HZ LYS 45 2HZ LYS 45 -3.344 3.028 -6.350 371 3HZ LYS 45 3HZ LYS 45 -3.570 3.264 -7.962 372 H SER 46 H SER 46 -2.072 2.389 -2.629 373 HA SER 46 HA SER 46 -0.241 3.136 -4.836 374 1HB SER 46 1HB SER 46 -1.169 4.548 -2.316 375 2HB SER 46 2HB SER 46 0.095 5.169 -3.394 376 HG SER 46 HG SER 46 -2.622 4.611 -4.039 377 H ILE 47 H ILE 47 1.868 3.778 -4.328 378 HA ILE 47 HA ILE 47 3.615 2.077 -3.261 379 HB ILE 47 HB ILE 47 4.069 4.082 -4.604 380 1HG1 ILE 47 1HG1 ILE 47 5.864 2.760 -3.399 381 2HG1 ILE 47 2HG1 ILE 47 6.289 4.414 -3.888 382 1HG2 ILE 47 1HG2 ILE 47 2.787 5.740 -3.275 383 2HG2 ILE 47 2HG2 ILE 47 3.965 5.584 -1.959 384 3HG2 ILE 47 3HG2 ILE 47 4.471 6.269 -3.519 385 1HD1 ILE 47 1HD1 ILE 47 5.855 5.220 -1.599 386 2HD1 ILE 47 2HD1 ILE 47 5.445 3.564 -1.094 387 3HD1 ILE 47 3HD1 ILE 47 7.100 3.950 -1.620 388 H MET 48 H MET 48 2.524 4.905 -1.268 389 HA MET 48 HA MET 48 3.938 3.871 1.031 390 1HB MET 48 1HB MET 48 3.727 6.241 0.602 391 2HB MET 48 2HB MET 48 1.958 6.146 0.697 392 1HG MET 48 1HG MET 48 2.114 5.454 3.049 393 2HG MET 48 2HG MET 48 3.874 5.322 2.920 394 1HE MET 48 1HE MET 48 5.534 7.214 2.903 395 2HE MET 48 2HE MET 48 4.790 7.850 1.413 396 3HE MET 48 3HE MET 48 5.118 8.943 2.782 397 H GLY 49 H GLY 49 0.741 3.287 -0.277 398 1HA GLY 49 1HA GLY 49 -0.458 2.603 2.299 399 2HA GLY 49 2HA GLY 49 -1.104 2.247 0.674 400 H LEU 50 H LEU 50 0.932 0.976 -0.550 401 HA LEU 50 HA LEU 50 0.858 -1.666 0.509 402 1HB LEU 50 1HB LEU 50 0.869 -1.698 -1.745 403 2HB LEU 50 2HB LEU 50 1.678 -0.129 -1.852 404 HG LEU 50 HG LEU 50 3.856 -1.138 -1.584 405 1HD1 LEU 50 1HD2 LEU 50 2.321 -3.753 -1.412 406 2HD1 LEU 50 2HD2 LEU 50 4.100 -3.591 -1.484 407 3HD1 LEU 50 3HD2 LEU 50 3.200 -2.968 -0.078 408 1HD2 LEU 50 1HD1 LEU 50 2.810 -1.039 -3.852 409 2HD2 LEU 50 2HD1 LEU 50 3.930 -2.412 -3.682 410 3HD2 LEU 50 3HD1 LEU 50 2.172 -2.684 -3.600 411 H MET 51 H MET 51 3.743 0.340 -0.281 412 HA MET 51 HA MET 51 5.457 -1.505 1.093 413 1HB MET 51 1HB MET 51 6.169 -0.339 -0.885 414 2HB MET 51 2HB MET 51 5.882 1.249 -0.153 415 1HG MET 51 1HG MET 51 7.809 -0.685 1.135 416 2HG MET 51 2HG MET 51 8.306 0.238 -0.288 417 1HE MET 51 1HE MET 51 8.536 2.769 -0.456 418 2HE MET 51 2HE MET 51 6.846 2.985 0.069 419 3HE MET 51 3HE MET 51 8.151 3.915 0.855 420 H SER 52 H SER 52 4.017 1.649 2.005 421 HA SER 52 HA SER 52 5.788 1.737 4.304 422 1HB SER 52 1HB SER 52 3.366 3.461 3.729 423 2HB SER 52 2HB SER 52 4.712 3.822 4.846 424 HG SER 52 HG SER 52 6.003 3.425 2.753 425 H LEU 53 H LEU 53 2.140 1.814 4.309 426 HA LEU 53 HA LEU 53 2.315 0.773 7.022 427 1HB LEU 53 1HB LEU 53 -0.034 1.443 5.220 428 2HB LEU 53 2HB LEU 53 -0.173 0.896 6.903 429 HG LEU 53 HG LEU 53 1.275 2.816 7.624 430 1HD1 LEU 53 1HD2 LEU 53 0.796 3.772 4.764 431 2HD1 LEU 53 2HD2 LEU 53 1.469 4.752 6.089 432 3HD1 LEU 53 3HD2 LEU 53 2.377 3.351 5.468 433 1HD2 LEU 53 1HD1 LEU 53 -1.256 3.395 6.064 434 2HD2 LEU 53 2HD1 LEU 53 -1.162 2.860 7.767 435 3HD2 LEU 53 3HD1 LEU 53 -0.546 4.475 7.296 436 H ALA 54 H ALA 54 0.919 -0.447 3.972 437 HA ALA 54 HA ALA 54 -0.027 -2.909 4.879 438 1HB ALA 54 1HB ALA 54 -0.560 -1.793 2.697 439 2HB ALA 54 2HB ALA 54 1.063 -2.224 2.129 440 3HB ALA 54 3HB ALA 54 -0.103 -3.502 2.512 441 H VAL 55 H VAL 55 3.305 -1.965 4.467 442 HA VAL 55 HA VAL 55 4.313 -4.622 4.108 443 HB VAL 55 HB VAL 55 5.459 -2.394 3.569 444 1HG1 VAL 55 1HG1 VAL 55 5.151 -1.343 5.804 445 2HG1 VAL 55 2HG1 VAL 55 6.159 -2.619 6.532 446 3HG1 VAL 55 3HG1 VAL 55 6.869 -1.471 5.370 447 1HG2 VAL 55 1HG2 VAL 55 6.926 -4.550 5.133 448 2HG2 VAL 55 2HG2 VAL 55 6.543 -4.586 3.396 449 3HG2 VAL 55 3HG2 VAL 55 7.689 -3.375 4.029 450 H SER 56 H SER 56 2.707 -3.338 6.784 451 HA SER 56 HA SER 56 4.463 -4.518 8.752 452 1HB SER 56 1HB SER 56 1.580 -3.580 9.023 453 2HB SER 56 2HB SER 56 2.728 -3.819 10.350 454 HG SER 56 HG SER 56 2.913 -1.931 8.204 455 H THR 57 H THR 57 4.405 -6.625 7.372 456 HA THR 57 HA THR 57 2.432 -8.459 7.339 457 HB THR 57 HB THR 57 5.147 -9.305 8.313 458 HG1 THR 57 HG1 THR 57 5.724 -9.006 5.993 459 1HG2 THR 57 1HG2 THR 57 4.740 -11.021 6.538 460 2HG2 THR 57 2HG2 THR 57 3.404 -10.955 7.713 461 3HG2 THR 57 3HG2 THR 57 3.218 -10.198 6.116 462 H GLY 58 H GLY 58 1.036 -9.089 8.791 463 1HA GLY 58 1HA GLY 58 0.559 -10.561 10.675 464 2HA GLY 58 2HA GLY 58 2.002 -9.943 11.483 465 H THR 59 H THR 59 0.641 -7.179 10.191 466 HA THR 59 HA THR 59 -0.593 -6.712 12.820 467 HB THR 59 HB THR 59 -0.415 -4.721 10.514 468 HG1 THR 59 HG1 THR 59 1.663 -5.577 10.941 469 1HG2 THR 59 1HG2 THR 59 -0.352 -3.049 12.341 470 2HG2 THR 59 2HG2 THR 59 -1.786 -4.089 12.489 471 3HG2 THR 59 3HG2 THR 59 -0.377 -4.360 13.542 472 H GLU 60 H GLU 60 -2.836 -6.424 13.142 473 HA GLU 60 HA GLU 60 -4.512 -7.300 10.924 474 1HB GLU 60 1HB GLU 60 -5.507 -5.945 13.444 475 2HB GLU 60 2HB GLU 60 -6.337 -7.117 12.373 476 1HG GLU 60 1HG GLU 60 -3.899 -7.833 14.040 477 2HG GLU 60 2HG GLU 60 -5.575 -8.081 14.574 478 H VAL 61 H VAL 61 -4.820 -5.987 9.256 479 HA VAL 61 HA VAL 61 -5.140 -3.076 9.785 480 HB VAL 61 HB VAL 61 -4.075 -2.708 7.531 481 1HG1 VAL 61 1HG1 VAL 61 -2.424 -4.280 9.560 482 2HG1 VAL 61 2HG1 VAL 61 -1.755 -3.263 8.262 483 3HG1 VAL 61 3HG1 VAL 61 -2.698 -2.521 9.573 484 1HG2 VAL 61 1HG2 VAL 61 -4.485 -4.996 6.635 485 2HG2 VAL 61 2HG2 VAL 61 -2.754 -4.538 6.577 486 3HG2 VAL 61 3HG2 VAL 61 -3.341 -5.636 7.851 487 H THR 62 H THR 62 -6.852 -2.117 8.795 488 HA THR 62 HA THR 62 -8.832 -4.012 7.722 489 HB THR 62 HB THR 62 -9.164 -1.018 8.133 490 HG1 THR 62 HG1 THR 62 -8.578 -2.310 10.100 491 1HG2 THR 62 1HG2 THR 62 -11.546 -1.670 8.332 492 2HG2 THR 62 2HG2 THR 62 -10.892 -2.177 6.762 493 3HG2 THR 62 3HG2 THR 62 -11.108 -3.373 8.065 494 H LEU 63 H LEU 63 -9.094 -4.364 5.619 495 HA LEU 63 HA LEU 63 -7.604 -2.716 3.707 496 1HB LEU 63 1HB LEU 63 -8.451 -5.449 3.894 497 2HB LEU 63 2HB LEU 63 -9.236 -4.731 2.465 498 HG LEU 63 HG LEU 63 -6.986 -5.631 1.905 499 1HD1 LEU 63 1HD1 LEU 63 -7.133 -2.576 1.935 500 2HD1 LEU 63 2HD1 LEU 63 -6.095 -3.556 0.873 501 3HD1 LEU 63 3HD1 LEU 63 -7.862 -3.642 0.711 502 1HD2 LEU 63 1HD2 LEU 63 -6.008 -5.347 4.168 503 2HD2 LEU 63 2HD2 LEU 63 -4.985 -4.563 2.944 504 3HD2 LEU 63 3HD2 LEU 63 -6.058 -3.582 3.970 505 H ILE 64 H ILE 64 -8.439 -0.991 2.966 506 HA ILE 64 HA ILE 64 -11.392 -0.615 2.859 507 HB ILE 64 HB ILE 64 -9.086 1.363 2.583 508 1HG1 ILE 64 1HG1 ILE 64 -10.901 0.877 4.967 509 2HG1 ILE 64 2HG1 ILE 64 -9.143 0.569 4.897 510 1HG2 ILE 64 1HG2 ILE 64 -12.072 1.805 2.933 511 2HG2 ILE 64 2HG2 ILE 64 -10.831 3.086 2.881 512 3HG2 ILE 64 3HG2 ILE 64 -11.136 2.081 1.445 513 1HD1 ILE 64 1HD1 ILE 64 -10.513 3.254 4.432 514 2HD1 ILE 64 2HD1 ILE 64 -9.701 2.779 5.946 515 3HD1 ILE 64 3HD1 ILE 64 -8.756 2.964 4.438 516 H ALA 65 H ALA 65 -12.271 0.304 0.961 517 HA ALA 65 HA ALA 65 -10.585 1.026 -1.268 518 1HB ALA 65 1HB ALA 65 -12.738 -1.155 -1.568 519 2HB ALA 65 2HB ALA 65 -11.822 -0.419 -2.903 520 3HB ALA 65 3HB ALA 65 -10.990 -1.463 -1.724 521 H GLN 66 H GLN 66 -11.090 2.694 -2.039 522 HA GLN 66 HA GLN 66 -13.886 3.466 -1.602 523 1HB GLN 66 1HB GLN 66 -13.147 5.064 -0.235 524 2HB GLN 66 2HB GLN 66 -11.737 4.090 -0.123 525 1HG GLN 66 1HG GLN 66 -10.484 5.818 -0.685 526 2HG GLN 66 2HG GLN 66 -11.177 5.716 -2.315 527 1HE2 GLN 66 2HE2 GLN 66 -12.009 7.082 0.986 528 2HE2 GLN 66 1HE2 GLN 66 -12.733 8.524 0.312 529 H GLY 67 H GLY 67 -13.986 2.554 -3.735 530 1HA GLY 67 1HA GLY 67 -13.816 4.728 -5.723 531 2HA GLY 67 2HA GLY 67 -13.022 3.182 -6.108 532 H GLU 68 H GLU 68 -14.403 2.487 -7.766 533 HA GLU 68 HA GLU 68 -17.289 2.587 -7.403 534 1HB GLU 68 1HB GLU 68 -15.654 1.108 -9.489 535 2HB GLU 68 2HB GLU 68 -17.378 1.547 -9.565 536 1HG GLU 68 1HG GLU 68 -14.992 3.439 -9.573 537 2HG GLU 68 2HG GLU 68 -16.097 3.122 -10.926 538 H ASP 69 H ASP 69 -14.623 0.317 -6.666 539 HA ASP 69 HA ASP 69 -16.691 -1.793 -6.138 540 1HB ASP 69 1HB ASP 69 -13.757 -2.239 -6.590 541 2HB ASP 69 2HB ASP 69 -15.040 -3.441 -6.481 542 H GLU 70 H GLU 70 -16.592 0.184 -4.300 543 HA GLU 70 HA GLU 70 -14.510 0.347 -2.478 544 1HB GLU 70 1HB GLU 70 -16.461 1.791 -2.489 545 2HB GLU 70 2HB GLU 70 -17.537 0.391 -2.257 546 1HG GLU 70 1HG GLU 70 -16.102 0.084 -0.043 547 2HG GLU 70 2HG GLU 70 -15.849 1.831 -0.258 548 H GLN 71 H GLN 71 -17.467 -1.342 -1.538 549 HA GLN 71 HA GLN 71 -16.424 -3.058 0.349 550 1HB GLN 71 1HB GLN 71 -18.832 -3.080 -1.446 551 2HB GLN 71 2HB GLN 71 -18.436 -4.562 -0.548 552 1HG GLN 71 1HG GLN 71 -18.739 -1.814 0.715 553 2HG GLN 71 2HG GLN 71 -19.945 -3.116 0.768 554 1HE2 GLN 71 2HE2 GLN 71 -17.578 -5.167 0.925 555 2HE2 GLN 71 1HE2 GLN 71 -17.161 -5.074 2.629 556 H GLU 72 H GLU 72 -16.732 -3.697 -3.144 557 HA GLU 72 HA GLU 72 -16.097 -6.439 -3.000 558 1HB GLU 72 1HB GLU 72 -17.097 -5.574 -5.015 559 2HB GLU 72 2HB GLU 72 -15.950 -4.219 -5.068 560 1HG GLU 72 1HG GLU 72 -15.408 -5.669 -6.853 561 2HG GLU 72 2HG GLU 72 -14.127 -5.794 -5.643 562 H ALA 73 H ALA 73 -14.073 -3.566 -3.692 563 HA ALA 73 HA ALA 73 -11.604 -4.896 -4.152 564 1HB ALA 73 1HB ALA 73 -12.280 -2.609 -4.832 565 2HB ALA 73 2HB ALA 73 -12.417 -2.163 -3.137 566 3HB ALA 73 3HB ALA 73 -10.797 -2.532 -3.809 567 H LEU 74 H LEU 74 -12.944 -3.174 -1.310 568 HA LEU 74 HA LEU 74 -10.735 -3.607 0.394 569 1HB LEU 74 1HB LEU 74 -12.284 -2.877 2.159 570 2HB LEU 74 2HB LEU 74 -12.421 -1.924 0.660 571 HG LEU 74 HG LEU 74 -14.321 -3.607 0.059 572 1HD1 LEU 74 1HD1 LEU 74 -14.058 -5.010 2.073 573 2HD1 LEU 74 2HD1 LEU 74 -14.389 -3.583 3.103 574 3HD1 LEU 74 3HD1 LEU 74 -15.655 -4.217 2.014 575 1HD2 LEU 74 1HD2 LEU 74 -14.490 -1.175 0.295 576 2HD2 LEU 74 2HD2 LEU 74 -15.915 -1.981 0.968 577 3HD2 LEU 74 3HD2 LEU 74 -14.657 -1.344 2.055 578 H GLU 75 H GLU 75 -13.714 -5.586 -0.040 579 HA GLU 75 HA GLU 75 -13.136 -7.540 1.918 580 1HB GLU 75 1HB GLU 75 -14.582 -7.724 -0.754 581 2HB GLU 75 2HB GLU 75 -14.604 -9.000 0.478 582 1HG GLU 75 1HG GLU 75 -15.682 -7.498 2.082 583 2HG GLU 75 2HG GLU 75 -15.551 -6.153 0.916 584 H LYS 76 H LYS 76 -12.554 -7.762 -1.657 585 HA LYS 76 HA LYS 76 -11.172 -10.257 -1.313 586 1HB LYS 76 1HB LYS 76 -10.306 -9.772 -3.670 587 2HB LYS 76 2HB LYS 76 -12.032 -10.060 -3.389 588 1HG LYS 76 1HG LYS 76 -12.028 -8.303 -4.898 589 2HG LYS 76 2HG LYS 76 -12.344 -7.546 -3.335 590 1HD LYS 76 1HD LYS 76 -10.779 -6.139 -4.410 591 2HD LYS 76 2HD LYS 76 -9.805 -7.038 -3.239 592 1HE LYS 76 1HE LYS 76 -10.179 -7.693 -6.208 593 2HE LYS 76 2HE LYS 76 -8.780 -6.844 -5.543 594 1HZ LYS 76 1HZ LYS 76 -8.338 -8.811 -4.196 595 2HZ LYS 76 2HZ LYS 76 -9.591 -9.602 -4.917 596 3HZ LYS 76 3HZ LYS 76 -8.285 -9.155 -5.809 597 H LEU 77 H LEU 77 -9.969 -6.912 -1.360 598 HA LEU 77 HA LEU 77 -7.205 -7.566 -1.355 599 1HB LEU 77 1HB LEU 77 -8.933 -5.265 -0.546 600 2HB LEU 77 2HB LEU 77 -7.237 -5.319 0.026 601 HG LEU 77 HG LEU 77 -7.819 -4.207 -2.343 602 1HD1 LEU 77 1HD1 LEU 77 -5.747 -4.356 -1.016 603 2HD1 LEU 77 2HD1 LEU 77 -5.529 -6.033 -1.580 604 3HD1 LEU 77 3HD1 LEU 77 -5.439 -4.690 -2.753 605 1HD2 LEU 77 1HD2 LEU 77 -7.054 -7.118 -2.934 606 2HD2 LEU 77 2HD2 LEU 77 -8.572 -6.346 -3.463 607 3HD2 LEU 77 3HD2 LEU 77 -7.006 -5.784 -4.098 608 H ALA 78 H ALA 78 -9.437 -6.978 1.500 609 HA ALA 78 HA ALA 78 -7.424 -7.618 3.408 610 1HB ALA 78 1HB ALA 78 -9.506 -6.465 4.022 611 2HB ALA 78 2HB ALA 78 -10.441 -7.926 3.617 612 3HB ALA 78 3HB ALA 78 -9.289 -7.943 4.973 613 H ALA 79 H ALA 79 -9.652 -9.687 1.527 614 HA ALA 79 HA ALA 79 -9.125 -12.177 2.799 615 1HB ALA 79 1HB ALA 79 -10.744 -11.755 0.911 616 2HB ALA 79 2HB ALA 79 -9.332 -11.545 -0.171 617 3HB ALA 79 3HB ALA 79 -9.644 -13.125 0.595 618 H TYR 80 H TYR 80 -7.533 -10.595 0.031 619 HA TYR 80 HA TYR 80 -5.499 -12.453 -0.449 620 1HB TYR 80 1HB TYR 80 -6.401 -10.604 -1.848 621 2HB TYR 80 2HB TYR 80 -5.480 -9.458 -0.863 622 HD1 TYR 80 HD1 TYR 80 -3.303 -8.888 -1.463 623 HD2 TYR 80 HD2 TYR 80 -4.931 -12.638 -2.808 624 HE1 TYR 80 HE1 TYR 80 -1.124 -9.458 -2.508 625 HE2 TYR 80 HE2 TYR 80 -2.756 -13.212 -3.856 626 HH TYR 80 HH TYR 80 -0.561 -12.606 -4.108 627 H VAL 81 H VAL 81 -5.381 -9.483 1.559 628 HA VAL 81 HA VAL 81 -2.621 -9.610 2.183 629 HB VAL 81 HB VAL 81 -3.113 -8.059 3.955 630 1HG1 VAL 81 1HG2 VAL 81 -5.152 -7.763 1.727 631 2HG1 VAL 81 2HG2 VAL 81 -4.602 -6.454 2.802 632 3HG1 VAL 81 3HG2 VAL 81 -3.458 -7.222 1.660 633 1HG2 VAL 81 1HG1 VAL 81 -4.919 -9.364 5.030 634 2HG2 VAL 81 2HG1 VAL 81 -5.433 -7.681 4.766 635 3HG2 VAL 81 3HG1 VAL 81 -6.006 -8.982 3.690 636 H GLN 82 H GLN 82 -5.389 -11.223 3.740 637 HA GLN 82 HA GLN 82 -3.654 -11.893 6.012 638 1HB GLN 82 1HB GLN 82 -5.773 -12.301 7.120 639 2HB GLN 82 2HB GLN 82 -6.024 -10.865 6.093 640 1HG GLN 82 1HG GLN 82 -6.866 -12.362 4.294 641 2HG GLN 82 2HG GLN 82 -6.524 -13.739 5.335 642 1HE2 GLN 82 2HE2 GLN 82 -8.731 -11.471 4.396 643 2HE2 GLN 82 1HE2 GLN 82 -10.103 -11.984 5.406 644 H GLU 83 H GLU 83 -5.195 -13.422 3.287 645 HA GLU 83 HA GLU 83 -5.968 -15.826 4.255 646 1HB GLU 83 1HB GLU 83 -5.829 -14.504 1.839 647 2HB GLU 83 2HB GLU 83 -5.045 -16.086 1.516 648 1HG GLU 83 1HG GLU 83 -7.486 -16.228 1.159 649 2HG GLU 83 2HG GLU 83 -7.062 -17.173 2.603 650 H GLU 84 H GLU 84 -2.793 -15.579 2.537 651 HA GLU 84 HA GLU 84 -2.240 -18.274 3.675 652 1HB GLU 84 1HB GLU 84 -0.456 -18.320 1.875 653 2HB GLU 84 2HB GLU 84 -2.123 -18.271 1.281 654 1HG GLU 84 1HG GLU 84 -1.970 -15.951 0.714 655 2HG GLU 84 2HG GLU 84 -0.461 -15.753 1.631 656 H VAL 85 H VAL 85 0.591 -16.925 2.610 657 HA VAL 85 HA VAL 85 1.396 -15.337 4.978 658 HB VAL 85 HB VAL 85 3.318 -16.609 5.510 659 1HG1 VAL 85 1HG1 VAL 85 1.271 -18.901 5.098 660 2HG1 VAL 85 2HG1 VAL 85 2.751 -18.993 6.085 661 3HG1 VAL 85 3HG1 VAL 85 1.456 -17.910 6.565 662 1HG2 VAL 85 1HG2 VAL 85 4.075 -17.163 3.155 663 2HG2 VAL 85 2HG2 VAL 85 4.271 -18.531 4.256 664 3HG2 VAL 85 3HG2 VAL 85 2.916 -18.513 3.098 Start of MODEL 19 1 1H VAL 2 1H VAL 2 -16.552 6.324 -1.960 2 2H VAL 2 2H VAL 2 -16.946 5.106 -3.050 3 3H VAL 2 3H VAL 2 -17.991 6.404 -2.826 4 HA VAL 2 HA VAL 2 -18.407 5.755 -0.578 5 HB VAL 2 HB VAL 2 -19.614 3.635 -1.076 6 1HG1 VAL 2 1HG1 VAL 2 -20.587 5.812 -1.712 7 2HG1 VAL 2 2HG1 VAL 2 -19.753 5.733 -3.282 8 3HG1 VAL 2 3HG1 VAL 2 -21.023 4.550 -2.889 9 1HG2 VAL 2 1HG2 VAL 2 -17.906 2.590 -2.526 10 2HG2 VAL 2 2HG2 VAL 2 -19.486 2.669 -3.343 11 3HG2 VAL 2 3HG2 VAL 2 -18.200 3.822 -3.772 12 H GLN 3 H GLN 3 -17.671 4.641 1.293 13 HA GLN 3 HA GLN 3 -15.250 3.069 0.653 14 1HB GLN 3 1HB GLN 3 -15.255 5.329 2.088 15 2HB GLN 3 2HB GLN 3 -15.612 4.170 3.403 16 1HG GLN 3 1HG GLN 3 -13.717 2.747 2.205 17 2HG GLN 3 2HG GLN 3 -13.289 4.261 1.471 18 1HE2 GLN 3 2HE2 GLN 3 -14.331 3.571 4.873 19 2HE2 GLN 3 1HE2 GLN 3 -12.867 4.245 5.570 20 H GLN 4 H GLN 4 -14.933 1.079 1.307 21 HA GLN 4 HA GLN 4 -16.323 -0.007 3.625 22 1HB GLN 4 1HB GLN 4 -16.559 -1.302 0.868 23 2HB GLN 4 2HB GLN 4 -16.798 -2.185 2.376 24 1HG GLN 4 1HG GLN 4 -18.356 0.334 1.690 25 2HG GLN 4 2HG GLN 4 -18.904 -1.309 1.295 26 1HE2 GLN 4 2HE2 GLN 4 -18.313 0.991 3.899 27 2HE2 GLN 4 1HE2 GLN 4 -19.105 0.041 5.157 28 H LYS 5 H LYS 5 -15.009 -1.641 4.613 29 HA LYS 5 HA LYS 5 -12.462 -2.343 3.341 30 1HB LYS 5 1HB LYS 5 -11.287 -1.525 5.354 31 2HB LYS 5 2HB LYS 5 -12.106 -0.243 4.437 32 1HG LYS 5 1HG LYS 5 -14.084 -0.535 6.064 33 2HG LYS 5 2HG LYS 5 -12.939 -1.438 7.085 34 1HD LYS 5 1HD LYS 5 -11.344 0.576 6.746 35 2HD LYS 5 2HD LYS 5 -12.739 1.439 6.081 36 1HE LYS 5 1HE LYS 5 -12.575 2.020 8.412 37 2HE LYS 5 2HE LYS 5 -13.983 0.952 8.240 38 1HZ LYS 5 1HZ LYS 5 -11.297 0.172 9.161 39 2HZ LYS 5 2HZ LYS 5 -12.627 0.363 10.112 40 3HZ LYS 5 3HZ LYS 5 -12.573 -0.858 9.008 41 H VAL 6 H VAL 6 -11.599 -4.234 4.247 42 HA VAL 6 HA VAL 6 -13.315 -5.567 6.291 43 HB VAL 6 HB VAL 6 -11.473 -6.939 4.301 44 1HG1 VAL 6 1HG1 VAL 6 -13.673 -7.988 6.123 45 2HG1 VAL 6 2HG1 VAL 6 -12.721 -8.963 4.980 46 3HG1 VAL 6 3HG1 VAL 6 -11.920 -8.193 6.371 47 1HG2 VAL 6 1HG2 VAL 6 -13.340 -5.855 3.091 48 2HG2 VAL 6 2HG2 VAL 6 -13.524 -7.627 3.092 49 3HG2 VAL 6 3HG2 VAL 6 -14.505 -6.630 4.194 50 H GLU 7 H GLU 7 -11.829 -6.895 7.882 51 HA GLU 7 HA GLU 7 -9.376 -5.248 8.017 52 1HB GLU 7 1HB GLU 7 -10.484 -6.999 10.289 53 2HB GLU 7 2HB GLU 7 -9.362 -5.634 10.460 54 1HG GLU 7 1HG GLU 7 -12.277 -5.401 9.588 55 2HG GLU 7 2HG GLU 7 -11.695 -5.144 11.245 56 H VAL 8 H VAL 8 -7.297 -6.187 8.223 57 HA VAL 8 HA VAL 8 -7.342 -9.149 8.043 58 HB VAL 8 HB VAL 8 -6.386 -9.155 5.969 59 1HG1 VAL 8 1HG2 VAL 8 -7.481 -6.315 5.992 60 2HG1 VAL 8 2HG2 VAL 8 -7.094 -7.275 4.531 61 3HG1 VAL 8 3HG2 VAL 8 -8.390 -7.803 5.631 62 1HG2 VAL 8 1HG1 VAL 8 -5.046 -6.493 6.549 63 2HG2 VAL 8 2HG1 VAL 8 -4.281 -8.098 6.646 64 3HG2 VAL 8 3HG1 VAL 8 -4.828 -7.471 5.075 65 H ARG 9 H ARG 9 -5.523 -10.211 8.963 66 HA ARG 9 HA ARG 9 -3.475 -8.313 10.058 67 1HB ARG 9 1HB ARG 9 -3.717 -10.168 11.576 68 2HB ARG 9 2HB ARG 9 -3.645 -11.333 10.198 69 1HG ARG 9 1HG ARG 9 -1.322 -10.021 9.832 70 2HG ARG 9 2HG ARG 9 -1.440 -9.946 11.608 71 1HD ARG 9 1HD ARG 9 -0.296 -12.025 10.851 72 2HD ARG 9 2HD ARG 9 -1.862 -12.436 11.586 73 HE ARG 9 HE ARG 9 -2.222 -12.062 8.779 74 1HH1 ARG 9 1HH2 ARG 9 -0.644 -14.247 11.050 75 2HH1 ARG 9 2HH2 ARG 9 -0.825 -15.669 10.054 76 1HH2 ARG 9 2HH1 ARG 9 -2.533 -13.978 7.450 77 2HH2 ARG 9 1HH1 ARG 9 -1.869 -15.490 7.955 78 H LEU 10 H LEU 10 -2.467 -7.484 8.522 79 HA LEU 10 HA LEU 10 -2.010 -8.117 5.875 80 1HB LEU 10 1HB LEU 10 -1.778 -5.945 6.910 81 2HB LEU 10 2HB LEU 10 -0.522 -6.549 7.998 82 HG LEU 10 HG LEU 10 1.031 -6.808 6.119 83 1HD1 LEU 10 1HD1 LEU 10 -1.241 -5.584 4.487 84 2HD1 LEU 10 2HD1 LEU 10 0.432 -5.840 3.927 85 3HD1 LEU 10 3HD1 LEU 10 -0.599 -7.239 4.308 86 1HD2 LEU 10 1HD2 LEU 10 0.815 -4.775 7.506 87 2HD2 LEU 10 2HD2 LEU 10 1.337 -4.400 5.850 88 3HD2 LEU 10 3HD2 LEU 10 -0.353 -4.104 6.339 89 H LYS 11 H LYS 11 -1.593 -10.529 6.346 90 HA LYS 11 HA LYS 11 0.943 -11.422 7.274 91 1HB LYS 11 1HB LYS 11 -0.676 -13.069 7.315 92 2HB LYS 11 2HB LYS 11 -1.417 -12.504 5.802 93 1HG LYS 11 1HG LYS 11 1.099 -13.321 4.945 94 2HG LYS 11 2HG LYS 11 0.537 -14.583 6.109 95 1HD LYS 11 1HD LYS 11 -0.534 -15.019 3.964 96 2HD LYS 11 2HD LYS 11 -1.741 -14.350 5.099 97 1HE LYS 11 1HE LYS 11 -1.519 -12.138 4.061 98 2HE LYS 11 2HE LYS 11 -0.309 -12.805 2.926 99 1HZ LYS 11 1HZ LYS 11 -3.055 -13.768 3.154 100 2HZ LYS 11 2HZ LYS 11 -2.518 -12.732 1.999 101 3HZ LYS 11 3HZ LYS 11 -1.918 -14.260 2.072 102 H THR 12 H THR 12 -0.286 -10.603 4.042 103 HA THR 12 HA THR 12 1.918 -11.294 2.439 104 HB THR 12 HB THR 12 1.432 -9.061 1.252 105 HG1 THR 12 HG1 THR 12 -0.828 -9.090 3.013 106 1HG2 THR 12 1HG2 THR 12 -0.716 -9.783 0.332 107 2HG2 THR 12 2HG2 THR 12 0.400 -11.149 0.511 108 3HG2 THR 12 3HG2 THR 12 -0.927 -10.935 1.681 109 H GLY 13 H GLY 13 1.386 -8.268 4.266 110 1HA GLY 13 1HA GLY 13 2.796 -6.747 5.233 111 2HA GLY 13 2HA GLY 13 4.012 -8.029 5.412 112 H LEU 14 H LEU 14 2.684 -7.293 2.361 113 HA LEU 14 HA LEU 14 3.709 -6.808 0.368 114 1HB LEU 14 1HB LEU 14 3.713 -4.185 1.824 115 2HB LEU 14 2HB LEU 14 3.629 -4.444 0.077 116 HG LEU 14 HG LEU 14 1.541 -5.053 2.176 117 1HD1 LEU 14 1HD1 LEU 14 1.394 -4.073 -0.717 118 2HD1 LEU 14 2HD1 LEU 14 0.020 -4.203 0.408 119 3HD1 LEU 14 3HD1 LEU 14 1.327 -3.038 0.734 120 1HD2 LEU 14 1HD2 LEU 14 2.019 -7.222 0.936 121 2HD2 LEU 14 2HD2 LEU 14 0.365 -6.588 0.753 122 3HD2 LEU 14 3HD2 LEU 14 1.550 -6.367 -0.553 123 H GLN 15 H GLN 15 5.432 -8.091 0.675 124 HA GLN 15 HA GLN 15 8.086 -7.002 1.391 125 1HB GLN 15 1HB GLN 15 7.137 -9.710 0.370 126 2HB GLN 15 2HB GLN 15 8.813 -9.346 0.853 127 1HG GLN 15 1HG GLN 15 8.141 -8.948 3.142 128 2HG GLN 15 2HG GLN 15 6.424 -8.940 2.685 129 1HE2 GLN 15 1HE2 GLN 15 5.446 -10.663 3.535 130 2HE2 GLN 15 2HE2 GLN 15 5.975 -12.310 3.342 131 H ALA 16 H ALA 16 6.180 -8.246 -1.413 132 HA ALA 16 HA ALA 16 7.329 -6.223 -3.073 133 1HB ALA 16 1HB ALA 16 9.373 -7.523 -2.858 134 2HB ALA 16 2HB ALA 16 8.552 -8.968 -3.496 135 3HB ALA 16 3HB ALA 16 8.789 -7.544 -4.541 136 H ARG 17 H ARG 17 7.080 -9.374 -4.463 137 HA ARG 17 HA ARG 17 5.424 -8.540 -6.561 138 1HB ARG 17 1HB ARG 17 6.019 -11.328 -5.536 139 2HB ARG 17 2HB ARG 17 5.366 -10.942 -7.148 140 1HG ARG 17 1HG ARG 17 7.433 -10.427 -7.921 141 2HG ARG 17 2HG ARG 17 7.713 -9.320 -6.559 142 1HD ARG 17 1HD ARG 17 8.089 -12.347 -6.465 143 2HD ARG 17 2HD ARG 17 9.381 -11.151 -6.613 144 HE ARG 17 HE ARG 17 9.084 -10.493 -4.385 145 1HH1 ARG 17 2HH1 ARG 17 6.883 -13.142 -5.295 146 2HH1 ARG 17 1HH1 ARG 17 6.451 -13.480 -3.627 147 1HH2 ARG 17 1HH2 ARG 17 8.378 -10.942 -2.204 148 2HH2 ARG 17 2HH2 ARG 17 7.259 -12.267 -1.949 149 HA PRO 18 HA PRO 18 1.694 -10.914 -4.754 150 1HB PRO 18 1HB PRO 18 1.719 -11.765 -2.156 151 2HB PRO 18 2HB PRO 18 2.583 -12.733 -3.405 152 1HG PRO 18 1HG PRO 18 3.743 -10.475 -1.728 153 2HG PRO 18 2HG PRO 18 4.351 -12.128 -1.697 154 1HD PRO 18 1HD PRO 18 5.492 -10.368 -3.328 155 2HD PRO 18 2HD PRO 18 5.023 -11.937 -4.055 156 H ALA 19 H ALA 19 3.549 -9.002 -2.465 157 HA ALA 19 HA ALA 19 1.650 -7.536 -1.144 158 1HB ALA 19 1HB ALA 19 4.349 -6.989 -2.394 159 2HB ALA 19 2HB ALA 19 3.665 -6.007 -1.038 160 3HB ALA 19 3HB ALA 19 4.038 -7.748 -0.824 161 H ALA 20 H ALA 20 3.277 -6.863 -4.249 162 HA ALA 20 HA ALA 20 1.691 -4.426 -4.813 163 1HB ALA 20 1HB ALA 20 3.458 -6.215 -6.572 164 2HB ALA 20 2HB ALA 20 2.832 -4.612 -7.026 165 3HB ALA 20 3HB ALA 20 4.022 -4.764 -5.707 166 H LEU 21 H LEU 21 1.504 -7.924 -5.405 167 HA LEU 21 HA LEU 21 -0.602 -7.931 -7.287 168 1HB LEU 21 1HB LEU 21 0.724 -9.862 -6.207 169 2HB LEU 21 2HB LEU 21 -0.479 -9.813 -4.913 170 HG LEU 21 HG LEU 21 -1.155 -10.126 -7.873 171 1HD1 LEU 21 1HD1 LEU 21 -0.966 -12.197 -5.647 172 2HD1 LEU 21 2HD1 LEU 21 -1.552 -12.504 -7.300 173 3HD1 LEU 21 3HD1 LEU 21 0.146 -12.046 -7.028 174 1HD2 LEU 21 1HD2 LEU 21 -2.984 -9.199 -6.463 175 2HD2 LEU 21 2HD2 LEU 21 -3.355 -10.851 -7.010 176 3HD2 LEU 21 3HD2 LEU 21 -2.801 -10.571 -5.342 177 H PHE 22 H PHE 22 -0.691 -7.929 -3.762 178 HA PHE 22 HA PHE 22 -3.376 -7.428 -2.998 179 1HB PHE 22 1HB PHE 22 -1.504 -7.832 -1.487 180 2HB PHE 22 2HB PHE 22 -0.681 -6.390 -2.062 181 HD1 PHE 22 HD1 PHE 22 -0.995 -7.158 0.763 182 HD2 PHE 22 HD2 PHE 22 -3.343 -4.579 -1.777 183 HE1 PHE 22 HE1 PHE 22 -1.489 -5.703 2.691 184 HE2 PHE 22 HE2 PHE 22 -3.855 -3.142 0.163 185 HZ PHE 22 HZ PHE 22 -2.951 -3.700 2.409 186 H VAL 23 H VAL 23 -0.902 -4.836 -3.375 187 HA VAL 23 HA VAL 23 -2.685 -2.717 -3.429 188 HB VAL 23 HB VAL 23 -0.944 -1.410 -4.110 189 1HG1 VAL 23 1HG1 VAL 23 -0.126 -2.579 -2.229 190 2HG1 VAL 23 2HG1 VAL 23 0.586 -3.844 -3.271 191 3HG1 VAL 23 3HG1 VAL 23 1.174 -2.163 -3.356 192 1HG2 VAL 23 1HG2 VAL 23 -0.947 -2.099 -6.360 193 2HG2 VAL 23 2HG2 VAL 23 0.715 -1.883 -5.772 194 3HG2 VAL 23 3HG2 VAL 23 0.018 -3.533 -5.977 195 H GLN 24 H GLN 24 -1.668 -4.792 -6.092 196 HA GLN 24 HA GLN 24 -2.736 -3.246 -8.225 197 1HB GLN 24 1HB GLN 24 -0.825 -4.625 -8.544 198 2HB GLN 24 2HB GLN 24 -1.677 -6.080 -7.993 199 1HG GLN 24 1HG GLN 24 -2.999 -4.617 -10.176 200 2HG GLN 24 2HG GLN 24 -1.441 -5.371 -10.640 201 1HE2 GLN 24 2HE2 GLN 24 -2.837 -7.173 -8.087 202 2HE2 GLN 24 1HE2 GLN 24 -3.837 -8.191 -9.104 203 H GLU 25 H GLU 25 -4.043 -5.912 -6.227 204 HA GLU 25 HA GLU 25 -6.389 -6.240 -7.946 205 1HB GLU 25 1HB GLU 25 -5.885 -6.911 -5.001 206 2HB GLU 25 2HB GLU 25 -7.221 -7.560 -5.988 207 1HG GLU 25 1HG GLU 25 -4.304 -7.913 -6.696 208 2HG GLU 25 2HG GLU 25 -5.189 -9.058 -5.665 209 H ALA 26 H ALA 26 -5.536 -4.494 -4.970 210 HA ALA 26 HA ALA 26 -8.011 -3.145 -4.532 211 1HB ALA 26 1HB ALA 26 -6.005 -3.007 -3.053 212 2HB ALA 26 2HB ALA 26 -5.169 -2.071 -4.319 213 3HB ALA 26 3HB ALA 26 -6.602 -1.391 -3.507 214 H ASN 27 H ASN 27 -5.266 -2.409 -6.645 215 HA ASN 27 HA ASN 27 -6.136 -0.051 -7.936 216 1HB ASN 27 1HB ASN 27 -4.285 -2.382 -8.346 217 2HB ASN 27 2HB ASN 27 -4.785 -1.605 -9.829 218 1HD2 ASN 27 2HD2 ASN 27 -2.798 -1.367 -7.031 219 2HD2 ASN 27 1HD2 ASN 27 -1.974 0.130 -7.390 220 H ARG 28 H ARG 28 -6.489 -3.422 -8.610 221 HA ARG 28 HA ARG 28 -7.156 -3.731 -11.212 222 1HB ARG 28 1HB ARG 28 -7.543 -5.090 -8.626 223 2HB ARG 28 2HB ARG 28 -8.524 -5.738 -9.918 224 1HG ARG 28 1HG ARG 28 -5.557 -5.230 -10.222 225 2HG ARG 28 2HG ARG 28 -6.173 -6.752 -9.584 226 1HD ARG 28 1HD ARG 28 -5.740 -6.963 -11.991 227 2HD ARG 28 2HD ARG 28 -7.484 -7.095 -11.684 228 HE ARG 28 HE ARG 28 -7.835 -5.080 -12.795 229 1HH1 ARG 28 2HH1 ARG 28 -4.393 -5.590 -12.201 230 2HH1 ARG 28 1HH1 ARG 28 -3.884 -4.128 -13.008 231 1HH2 ARG 28 1HH2 ARG 28 -7.208 -3.152 -13.827 232 2HH2 ARG 28 2HH2 ARG 28 -5.528 -2.709 -13.965 233 H PHE 29 H PHE 29 -9.288 -2.630 -8.633 234 HA PHE 29 HA PHE 29 -11.533 -2.743 -10.551 235 1HB PHE 29 1HB PHE 29 -11.358 -2.208 -7.577 236 2HB PHE 29 2HB PHE 29 -12.845 -1.990 -8.530 237 HD1 PHE 29 HD1 PHE 29 -11.338 -4.205 -6.390 238 HD2 PHE 29 HD2 PHE 29 -12.955 -4.166 -10.370 239 HE1 PHE 29 HE1 PHE 29 -11.930 -6.619 -6.174 240 HE2 PHE 29 HE2 PHE 29 -13.338 -6.616 -10.242 241 HZ PHE 29 HZ PHE 29 -12.846 -7.844 -8.141 242 H THR 30 H THR 30 -11.215 -0.191 -8.119 243 HA THR 30 HA THR 30 -10.412 1.843 -10.053 244 HB THR 30 HB THR 30 -12.682 3.032 -9.623 245 HG1 THR 30 HG1 THR 30 -13.585 0.350 -9.405 246 1HG2 THR 30 1HG2 THR 30 -13.757 1.912 -11.571 247 2HG2 THR 30 2HG2 THR 30 -12.039 2.278 -11.844 248 3HG2 THR 30 3HG2 THR 30 -12.531 0.617 -11.465 249 H SER 31 H SER 31 -12.436 1.351 -7.235 250 HA SER 31 HA SER 31 -12.546 3.229 -5.592 251 1HB SER 31 1HB SER 31 -11.374 0.573 -4.740 252 2HB SER 31 2HB SER 31 -12.599 1.557 -3.891 253 HG SER 31 HG SER 31 -13.531 -0.209 -5.067 254 H ASP 32 H ASP 32 -11.639 4.420 -4.035 255 HA ASP 32 HA ASP 32 -8.750 4.777 -4.001 256 1HB ASP 32 1HB ASP 32 -10.987 5.746 -2.179 257 2HB ASP 32 2HB ASP 32 -9.305 6.309 -2.112 258 H VAL 33 H VAL 33 -8.305 2.507 -3.651 259 HA VAL 33 HA VAL 33 -9.268 1.149 -1.323 260 HB VAL 33 HB VAL 33 -7.746 -0.619 -2.001 261 1HG1 VAL 33 1HG2 VAL 33 -8.984 0.925 -4.324 262 2HG1 VAL 33 2HG2 VAL 33 -8.534 -0.796 -4.388 263 3HG1 VAL 33 3HG2 VAL 33 -9.823 -0.239 -3.285 264 1HG2 VAL 33 1HG1 VAL 33 -5.818 0.889 -2.370 265 2HG2 VAL 33 2HG1 VAL 33 -6.058 -0.199 -3.769 266 3HG2 VAL 33 3HG1 VAL 33 -6.579 1.503 -3.857 267 H PHE 34 H PHE 34 -8.120 0.443 0.480 268 HA PHE 34 HA PHE 34 -5.724 2.031 1.129 269 1HB PHE 34 1HB PHE 34 -8.280 2.189 2.780 270 2HB PHE 34 2HB PHE 34 -6.698 2.806 3.272 271 HD1 PHE 34 HD1 PHE 34 -5.587 4.224 1.157 272 HD2 PHE 34 HD2 PHE 34 -9.757 3.937 2.172 273 HE1 PHE 34 HE1 PHE 34 -6.038 6.332 -0.107 274 HE2 PHE 34 HE2 PHE 34 -10.216 5.984 0.836 275 HZ PHE 34 HZ PHE 34 -8.359 7.207 -0.253 276 H LEU 35 H LEU 35 -4.695 1.436 3.106 277 HA LEU 35 HA LEU 35 -5.655 -1.090 4.309 278 1HB LEU 35 1HB LEU 35 -3.698 -1.534 2.726 279 2HB LEU 35 2HB LEU 35 -2.695 -0.541 3.821 280 HG LEU 35 HG LEU 35 -3.530 -2.051 5.711 281 1HD1 LEU 35 1HD2 LEU 35 -4.515 -3.686 3.328 282 2HD1 LEU 35 2HD2 LEU 35 -4.517 -4.224 5.024 283 3HD1 LEU 35 3HD2 LEU 35 -5.545 -2.861 4.522 284 1HD2 LEU 35 1HD1 LEU 35 -1.995 -3.404 3.454 285 2HD2 LEU 35 2HD1 LEU 35 -1.301 -2.372 4.724 286 3HD2 LEU 35 3HD1 LEU 35 -2.037 -3.934 5.152 287 H GLU 36 H GLU 36 -5.888 -0.756 6.394 288 HA GLU 36 HA GLU 36 -4.675 1.702 7.611 289 1HB GLU 36 1HB GLU 36 -7.264 0.351 8.435 290 2HB GLU 36 2HB GLU 36 -6.732 2.019 8.737 291 1HG GLU 36 1HG GLU 36 -6.799 2.409 6.254 292 2HG GLU 36 2HG GLU 36 -7.486 0.791 6.056 293 H LYS 37 H LYS 37 -2.864 0.634 8.658 294 HA LYS 37 HA LYS 37 -2.922 -1.877 10.049 295 1HB LYS 37 1HB LYS 37 -1.186 0.599 10.375 296 2HB LYS 37 2HB LYS 37 -0.841 -0.990 11.078 297 1HG LYS 37 1HG LYS 37 -0.746 -1.969 8.791 298 2HG LYS 37 2HG LYS 37 -1.003 -0.350 8.105 299 1HD LYS 37 1HD LYS 37 1.388 -1.031 8.151 300 2HD LYS 37 2HD LYS 37 1.103 0.441 9.102 301 1HE LYS 37 1HE LYS 37 1.119 -2.314 10.416 302 2HE LYS 37 2HE LYS 37 2.614 -1.435 10.056 303 1HZ LYS 37 1HZ LYS 37 1.837 0.384 11.363 304 2HZ LYS 37 2HZ LYS 37 0.440 -0.408 11.738 305 3HZ LYS 37 3HZ LYS 37 1.886 -1.000 12.254 306 H ASP 38 H ASP 38 -4.778 -1.902 11.443 307 HA ASP 38 HA ASP 38 -6.034 -1.419 13.287 308 1HB ASP 38 1HB ASP 38 -3.374 -0.368 14.304 309 2HB ASP 38 2HB ASP 38 -4.808 -0.631 15.309 310 H GLY 39 H GLY 39 -5.759 0.563 11.075 311 1HA GLY 39 1HA GLY 39 -7.149 2.667 11.239 312 2HA GLY 39 2HA GLY 39 -6.192 3.019 12.699 313 H LYS 40 H LYS 40 -3.663 1.941 11.263 314 HA LYS 40 HA LYS 40 -2.816 4.504 10.227 315 1HB LYS 40 1HB LYS 40 -1.480 1.778 10.107 316 2HB LYS 40 2HB LYS 40 -0.684 3.356 9.905 317 1HG LYS 40 1HG LYS 40 -1.986 2.213 12.411 318 2HG LYS 40 2HG LYS 40 -0.262 2.556 12.169 319 1HD LYS 40 1HD LYS 40 -2.509 4.615 12.221 320 2HD LYS 40 2HD LYS 40 -1.325 4.342 13.519 321 1HE LYS 40 1HE LYS 40 0.516 4.972 11.996 322 2HE LYS 40 2HE LYS 40 -0.642 5.187 10.668 323 1HZ LYS 40 1HZ LYS 40 -0.606 6.736 13.164 324 2HZ LYS 40 2HZ LYS 40 -0.075 7.260 11.695 325 3HZ LYS 40 3HZ LYS 40 -1.674 6.933 11.922 326 H LYS 41 H LYS 41 -4.433 4.723 8.548 327 HA LYS 41 HA LYS 41 -4.279 2.808 6.352 328 1HB LYS 41 1HB LYS 41 -6.431 3.274 6.965 329 2HB LYS 41 2HB LYS 41 -6.099 4.968 7.276 330 1HG LYS 41 1HG LYS 41 -5.967 3.950 4.436 331 2HG LYS 41 2HG LYS 41 -7.540 4.308 5.193 332 1HD LYS 41 1HD LYS 41 -6.807 6.574 5.762 333 2HD LYS 41 2HD LYS 41 -5.198 6.263 5.070 334 1HE LYS 41 1HE LYS 41 -6.226 5.876 2.845 335 2HE LYS 41 2HE LYS 41 -7.833 6.119 3.530 336 1HZ LYS 41 1HZ LYS 41 -5.698 8.132 3.441 337 2HZ LYS 41 2HZ LYS 41 -7.027 8.075 2.465 338 3HZ LYS 41 3HZ LYS 41 -7.201 8.360 4.080 339 H VAL 42 H VAL 42 -3.840 3.043 4.369 340 HA VAL 42 HA VAL 42 -3.053 5.603 3.116 341 HB VAL 42 HB VAL 42 -1.049 4.353 2.096 342 1HG1 VAL 42 1HG1 VAL 42 -0.990 4.999 5.057 343 2HG1 VAL 42 2HG1 VAL 42 0.431 4.861 3.990 344 3HG1 VAL 42 3HG1 VAL 42 -0.763 6.151 3.715 345 1HG2 VAL 42 1HG2 VAL 42 -1.785 2.102 2.803 346 2HG2 VAL 42 2HG2 VAL 42 -0.147 2.470 3.410 347 3HG2 VAL 42 3HG2 VAL 42 -1.551 2.563 4.505 348 H ASN 43 H ASN 43 -2.627 5.268 0.738 349 HA ASN 43 HA ASN 43 -4.879 3.817 -0.380 350 1HB ASN 43 1HB ASN 43 -4.084 5.932 -1.371 351 2HB ASN 43 2HB ASN 43 -2.511 5.178 -1.712 352 1HD2 ASN 43 2HD2 ASN 43 -5.915 3.918 -2.162 353 2HD2 ASN 43 1HD2 ASN 43 -5.739 3.796 -3.906 354 H ALA 44 H ALA 44 -4.850 1.856 -0.142 355 HA ALA 44 HA ALA 44 -2.893 -0.027 0.144 356 1HB ALA 44 1HB ALA 44 -5.312 -0.415 0.492 357 2HB ALA 44 2HB ALA 44 -5.574 -0.339 -1.265 358 3HB ALA 44 3HB ALA 44 -4.631 -1.674 -0.571 359 H LYS 45 H LYS 45 -4.131 1.217 -2.919 360 HA LYS 45 HA LYS 45 -2.773 -0.821 -4.514 361 1HB LYS 45 1HB LYS 45 -3.688 0.514 -6.406 362 2HB LYS 45 2HB LYS 45 -4.913 -0.060 -5.256 363 1HG LYS 45 1HG LYS 45 -5.047 2.136 -4.219 364 2HG LYS 45 2HG LYS 45 -3.695 2.738 -5.201 365 1HD LYS 45 1HD LYS 45 -5.850 3.431 -6.179 366 2HD LYS 45 2HD LYS 45 -4.975 2.327 -7.262 367 1HE LYS 45 1HE LYS 45 -6.293 0.409 -6.301 368 2HE LYS 45 2HE LYS 45 -7.300 1.574 -5.417 369 1HZ LYS 45 1HZ LYS 45 -6.986 1.559 -8.338 370 2HZ LYS 45 2HZ LYS 45 -8.211 0.829 -7.514 371 3HZ LYS 45 3HZ LYS 45 -8.048 2.461 -7.446 372 H SER 46 H SER 46 -1.824 2.163 -3.116 373 HA SER 46 HA SER 46 0.271 2.602 -5.187 374 1HB SER 46 1HB SER 46 -0.935 4.311 -2.991 375 2HB SER 46 2HB SER 46 0.658 4.662 -3.691 376 HG SER 46 HG SER 46 -1.876 4.627 -4.945 377 H ILE 47 H ILE 47 2.377 3.259 -4.388 378 HA ILE 47 HA ILE 47 3.814 1.480 -2.947 379 HB ILE 47 HB ILE 47 4.669 3.376 -4.310 380 1HG1 ILE 47 1HG1 ILE 47 5.928 1.921 -2.528 381 2HG1 ILE 47 2HG1 ILE 47 6.757 3.306 -3.233 382 1HG2 ILE 47 1HG2 ILE 47 3.272 5.170 -3.273 383 2HG2 ILE 47 2HG2 ILE 47 4.153 4.971 -1.758 384 3HG2 ILE 47 3HG2 ILE 47 5.001 5.600 -3.186 385 1HD1 ILE 47 1HD1 ILE 47 6.143 4.698 -1.286 386 2HD1 ILE 47 2HD1 ILE 47 5.336 3.292 -0.549 387 3HD1 ILE 47 3HD1 ILE 47 7.094 3.268 -0.817 388 H MET 48 H MET 48 2.389 4.472 -1.474 389 HA MET 48 HA MET 48 3.577 3.779 1.027 390 1HB MET 48 1HB MET 48 3.073 6.081 0.505 391 2HB MET 48 2HB MET 48 1.369 5.716 0.220 392 1HG MET 48 1HG MET 48 1.160 5.091 2.647 393 2HG MET 48 2HG MET 48 2.877 5.455 2.866 394 1HE MET 48 1HE MET 48 3.135 8.025 1.002 395 2HE MET 48 2HE MET 48 2.983 9.309 2.228 396 3HE MET 48 3HE MET 48 3.926 7.841 2.588 397 H GLY 49 H GLY 49 0.738 2.599 -0.566 398 1HA GLY 49 1HA GLY 49 -0.409 1.571 1.931 399 2HA GLY 49 2HA GLY 49 -0.966 1.210 0.257 400 H LEU 50 H LEU 50 1.032 0.216 -1.109 401 HA LEU 50 HA LEU 50 1.584 -2.342 -0.261 402 1HB LEU 50 1HB LEU 50 1.693 -1.665 -2.547 403 2HB LEU 50 2HB LEU 50 2.911 -0.435 -2.191 404 HG LEU 50 HG LEU 50 4.607 -2.085 -1.787 405 1HD1 LEU 50 1HD2 LEU 50 3.223 -3.867 -0.773 406 2HD1 LEU 50 2HD2 LEU 50 2.490 -4.200 -2.363 407 3HD1 LEU 50 3HD2 LEU 50 4.228 -4.483 -2.101 408 1HD2 LEU 50 1HD1 LEU 50 4.131 -1.367 -4.109 409 2HD2 LEU 50 2HD1 LEU 50 4.716 -3.048 -4.063 410 3HD2 LEU 50 3HD1 LEU 50 2.982 -2.713 -4.287 411 H MET 51 H MET 51 4.138 0.100 -0.600 412 HA MET 51 HA MET 51 6.017 -1.626 0.773 413 1HB MET 51 1HB MET 51 6.595 -0.236 -1.284 414 2HB MET 51 2HB MET 51 6.240 1.218 -0.342 415 1HG MET 51 1HG MET 51 7.977 -0.128 1.320 416 2HG MET 51 2HG MET 51 8.633 -0.494 -0.287 417 1HE MET 51 1HE MET 51 7.596 2.149 2.310 418 2HE MET 51 2HE MET 51 7.964 3.703 1.512 419 3HE MET 51 3HE MET 51 6.624 2.687 0.916 420 H SER 52 H SER 52 4.181 1.381 1.466 421 HA SER 52 HA SER 52 5.840 1.829 3.810 422 1HB SER 52 1HB SER 52 3.208 3.157 3.116 423 2HB SER 52 2HB SER 52 4.420 3.735 4.276 424 HG SER 52 HG SER 52 5.883 3.926 2.510 425 H LEU 53 H LEU 53 2.230 1.572 3.857 426 HA LEU 53 HA LEU 53 2.515 0.734 6.630 427 1HB LEU 53 1HB LEU 53 0.113 1.240 4.846 428 2HB LEU 53 2HB LEU 53 0.004 0.774 6.555 429 HG LEU 53 HG LEU 53 1.362 2.751 7.199 430 1HD1 LEU 53 1HD2 LEU 53 1.096 3.458 4.244 431 2HD1 LEU 53 2HD2 LEU 53 1.630 4.592 5.520 432 3HD1 LEU 53 3HD2 LEU 53 2.612 3.156 5.125 433 1HD2 LEU 53 1HD1 LEU 53 -1.103 2.835 7.143 434 2HD2 LEU 53 2HD1 LEU 53 -0.390 4.418 6.716 435 3HD2 LEU 53 3HD1 LEU 53 -1.041 3.358 5.443 436 H ALA 54 H ALA 54 1.145 -0.765 3.708 437 HA ALA 54 HA ALA 54 0.385 -3.228 4.890 438 1HB ALA 54 1HB ALA 54 -0.555 -2.392 2.790 439 2HB ALA 54 2HB ALA 54 1.040 -2.519 2.019 440 3HB ALA 54 3HB ALA 54 0.196 -3.989 2.551 441 H VAL 55 H VAL 55 3.578 -2.063 4.231 442 HA VAL 55 HA VAL 55 4.724 -4.675 3.817 443 HB VAL 55 HB VAL 55 5.723 -2.390 3.229 444 1HG1 VAL 55 1HG1 VAL 55 6.535 -2.563 6.167 445 2HG1 VAL 55 2HG1 VAL 55 7.152 -1.392 4.974 446 3HG1 VAL 55 3HG1 VAL 55 5.445 -1.341 5.465 447 1HG2 VAL 55 1HG2 VAL 55 7.353 -4.468 4.741 448 2HG2 VAL 55 2HG2 VAL 55 6.913 -4.519 3.016 449 3HG2 VAL 55 3HG2 VAL 55 8.015 -3.254 3.614 450 H SER 56 H SER 56 3.172 -3.279 6.536 451 HA SER 56 HA SER 56 4.965 -4.537 8.436 452 1HB SER 56 1HB SER 56 2.219 -3.366 8.978 453 2HB SER 56 2HB SER 56 3.552 -3.570 10.122 454 HG SER 56 HG SER 56 3.424 -1.809 7.878 455 H THR 57 H THR 57 4.649 -6.665 7.206 456 HA THR 57 HA THR 57 2.607 -8.381 7.303 457 HB THR 57 HB THR 57 5.274 -9.137 8.510 458 HG1 THR 57 HG1 THR 57 5.962 -9.255 6.273 459 1HG2 THR 57 1HG2 THR 57 3.379 -10.484 6.530 460 2HG2 THR 57 2HG2 THR 57 4.878 -11.190 7.178 461 3HG2 THR 57 3HG2 THR 57 3.508 -10.858 8.265 462 H GLY 58 H GLY 58 1.108 -8.880 8.757 463 1HA GLY 58 1HA GLY 58 0.531 -10.090 10.784 464 2HA GLY 58 2HA GLY 58 1.931 -9.347 11.580 465 H THR 59 H THR 59 0.722 -6.754 9.976 466 HA THR 59 HA THR 59 -0.540 -5.818 12.451 467 HB THR 59 HB THR 59 -0.319 -4.402 9.762 468 HG1 THR 59 HG1 THR 59 1.722 -5.023 10.574 469 1HG2 THR 59 1HG2 THR 59 -0.480 -2.350 11.116 470 2HG2 THR 59 2HG2 THR 59 -1.898 -3.390 11.392 471 3HG2 THR 59 3HG2 THR 59 -0.595 -3.326 12.601 472 H GLU 60 H GLU 60 -2.766 -5.576 12.823 473 HA GLU 60 HA GLU 60 -4.480 -6.714 10.738 474 1HB GLU 60 1HB GLU 60 -6.278 -6.560 12.309 475 2HB GLU 60 2HB GLU 60 -4.873 -7.285 13.108 476 1HG GLU 60 1HG GLU 60 -4.320 -5.140 14.186 477 2HG GLU 60 2HG GLU 60 -5.665 -4.360 13.330 478 H VAL 61 H VAL 61 -4.244 -5.430 9.104 479 HA VAL 61 HA VAL 61 -4.854 -2.529 9.281 480 HB VAL 61 HB VAL 61 -3.949 -2.533 6.944 481 1HG1 VAL 61 1HG1 VAL 61 -2.198 -3.875 9.050 482 2HG1 VAL 61 2HG1 VAL 61 -1.593 -3.088 7.569 483 3HG1 VAL 61 3HG1 VAL 61 -2.415 -2.120 8.818 484 1HG2 VAL 61 1HG2 VAL 61 -4.527 -4.905 6.411 485 2HG2 VAL 61 2HG2 VAL 61 -2.797 -4.558 6.136 486 3HG2 VAL 61 3HG2 VAL 61 -3.307 -5.445 7.594 487 H THR 62 H THR 62 -6.687 -1.685 8.513 488 HA THR 62 HA THR 62 -8.755 -3.393 7.460 489 HB THR 62 HB THR 62 -8.728 -0.394 7.149 490 HG1 THR 62 HG1 THR 62 -9.010 -1.806 9.592 491 1HG2 THR 62 1HG2 THR 62 -10.814 -2.427 8.053 492 2HG2 THR 62 2HG2 THR 62 -11.105 -0.712 7.691 493 3HG2 THR 62 3HG2 THR 62 -10.628 -1.820 6.395 494 H LEU 63 H LEU 63 -8.856 -4.069 5.369 495 HA LEU 63 HA LEU 63 -7.494 -2.327 3.380 496 1HB LEU 63 1HB LEU 63 -7.093 -4.906 3.596 497 2HB LEU 63 2HB LEU 63 -8.557 -5.019 2.580 498 HG LEU 63 HG LEU 63 -6.175 -3.183 2.018 499 1HD1 LEU 63 1HD2 LEU 63 -5.468 -5.534 2.011 500 2HD1 LEU 63 2HD2 LEU 63 -6.788 -5.938 0.892 501 3HD1 LEU 63 3HD2 LEU 63 -5.466 -4.869 0.362 502 1HD2 LEU 63 1HD1 LEU 63 -8.474 -4.151 0.266 503 2HD2 LEU 63 2HD1 LEU 63 -8.270 -2.505 0.915 504 3HD2 LEU 63 3HD1 LEU 63 -7.116 -3.138 -0.281 505 H ILE 64 H ILE 64 -8.621 -0.932 2.450 506 HA ILE 64 HA ILE 64 -11.587 -1.105 2.209 507 HB ILE 64 HB ILE 64 -9.596 1.210 2.144 508 1HG1 ILE 64 1HG1 ILE 64 -11.671 0.586 4.267 509 2HG1 ILE 64 2HG1 ILE 64 -9.943 0.149 4.395 510 1HG2 ILE 64 1HG2 ILE 64 -12.635 1.262 2.139 511 2HG2 ILE 64 2HG2 ILE 64 -11.571 2.688 2.262 512 3HG2 ILE 64 3HG2 ILE 64 -11.577 1.705 0.778 513 1HD1 ILE 64 1HD1 ILE 64 -9.311 2.522 4.064 514 2HD1 ILE 64 2HD1 ILE 64 -11.033 2.967 3.985 515 3HD1 ILE 64 3HD1 ILE 64 -10.344 2.315 5.498 516 H ALA 65 H ALA 65 -12.488 -0.321 0.273 517 HA ALA 65 HA ALA 65 -10.672 0.466 -1.913 518 1HB ALA 65 1HB ALA 65 -11.147 -1.977 -2.376 519 2HB ALA 65 2HB ALA 65 -12.891 -1.603 -2.291 520 3HB ALA 65 3HB ALA 65 -11.898 -0.895 -3.575 521 H GLN 66 H GLN 66 -11.474 2.586 -1.373 522 HA GLN 66 HA GLN 66 -14.431 2.620 -1.346 523 1HB GLN 66 1HB GLN 66 -14.246 4.682 -0.124 524 2HB GLN 66 2HB GLN 66 -13.030 3.594 0.511 525 1HG GLN 66 1HG GLN 66 -11.229 4.712 -0.371 526 2HG GLN 66 2HG GLN 66 -12.176 5.331 -1.730 527 1HE2 GLN 66 2HE2 GLN 66 -11.820 5.816 1.881 528 2HE2 GLN 66 1HE2 GLN 66 -12.275 7.498 1.760 529 H GLY 67 H GLY 67 -14.548 2.072 -3.518 530 1HA GLY 67 1HA GLY 67 -14.771 4.508 -5.146 531 2HA GLY 67 2HA GLY 67 -13.595 3.318 -5.727 532 H GLU 68 H GLU 68 -14.735 3.096 -7.602 533 HA GLU 68 HA GLU 68 -17.466 2.556 -7.916 534 1HB GLU 68 1HB GLU 68 -15.108 1.788 -9.680 535 2HB GLU 68 2HB GLU 68 -16.827 1.882 -10.170 536 1HG GLU 68 1HG GLU 68 -16.407 4.037 -10.625 537 2HG GLU 68 2HG GLU 68 -16.457 4.247 -8.842 538 H ASP 69 H ASP 69 -14.778 0.223 -7.253 539 HA ASP 69 HA ASP 69 -16.932 -1.860 -7.242 540 1HB ASP 69 1HB ASP 69 -14.064 -2.599 -7.508 541 2HB ASP 69 2HB ASP 69 -15.508 -3.517 -7.904 542 H GLU 70 H GLU 70 -16.472 0.141 -5.264 543 HA GLU 70 HA GLU 70 -14.743 -0.031 -3.361 544 1HB GLU 70 1HB GLU 70 -16.739 1.400 -3.468 545 2HB GLU 70 2HB GLU 70 -17.761 -0.015 -3.152 546 1HG GLU 70 1HG GLU 70 -16.086 -0.091 -0.978 547 2HG GLU 70 2HG GLU 70 -16.280 1.662 -1.241 548 H GLN 71 H GLN 71 -17.691 -1.645 -2.402 549 HA GLN 71 HA GLN 71 -16.646 -3.261 -0.532 550 1HB GLN 71 1HB GLN 71 -19.098 -2.853 -1.727 551 2HB GLN 71 2HB GLN 71 -18.846 -4.603 -1.928 552 1HG GLN 71 1HG GLN 71 -18.360 -3.181 0.727 553 2HG GLN 71 2HG GLN 71 -19.976 -3.730 0.242 554 1HE2 GLN 71 2HE2 GLN 71 -16.624 -5.200 0.136 555 2HE2 GLN 71 1HE2 GLN 71 -17.205 -6.736 0.666 556 H GLU 72 H GLU 72 -16.923 -4.185 -3.994 557 HA GLU 72 HA GLU 72 -16.180 -6.893 -3.563 558 1HB GLU 72 1HB GLU 72 -16.975 -6.812 -5.698 559 2HB GLU 72 2HB GLU 72 -16.882 -5.048 -5.691 560 1HG GLU 72 1HG GLU 72 -14.666 -5.039 -6.536 561 2HG GLU 72 2HG GLU 72 -14.534 -6.812 -6.407 562 H ALA 73 H ALA 73 -14.319 -3.978 -4.442 563 HA ALA 73 HA ALA 73 -11.798 -5.176 -4.896 564 1HB ALA 73 1HB ALA 73 -12.647 -2.986 -5.660 565 2HB ALA 73 2HB ALA 73 -12.774 -2.443 -3.992 566 3HB ALA 73 3HB ALA 73 -11.155 -2.744 -4.696 567 H LEU 74 H LEU 74 -13.166 -3.459 -2.093 568 HA LEU 74 HA LEU 74 -10.912 -3.709 -0.395 569 1HB LEU 74 1HB LEU 74 -12.513 -2.984 1.363 570 2HB LEU 74 2HB LEU 74 -12.692 -2.095 -0.176 571 HG LEU 74 HG LEU 74 -14.427 -3.944 -0.745 572 1HD1 LEU 74 1HD1 LEU 74 -14.620 -3.691 2.283 573 2HD1 LEU 74 2HD1 LEU 74 -15.873 -4.380 1.212 574 3HD1 LEU 74 3HD1 LEU 74 -14.293 -5.174 1.344 575 1HD2 LEU 74 1HD2 LEU 74 -14.642 -1.568 -0.860 576 2HD2 LEU 74 2HD2 LEU 74 -16.085 -2.265 -0.107 577 3HD2 LEU 74 3HD2 LEU 74 -14.861 -1.441 0.902 578 H GLU 75 H GLU 75 -13.874 -5.781 -0.606 579 HA GLU 75 HA GLU 75 -13.022 -7.409 1.594 580 1HB GLU 75 1HB GLU 75 -14.740 -9.019 0.735 581 2HB GLU 75 2HB GLU 75 -15.344 -7.365 0.977 582 1HG GLU 75 1HG GLU 75 -15.020 -6.895 -1.427 583 2HG GLU 75 2HG GLU 75 -14.457 -8.535 -1.689 584 H LYS 76 H LYS 76 -12.662 -7.829 -1.993 585 HA LYS 76 HA LYS 76 -11.421 -10.368 -1.762 586 1HB LYS 76 1HB LYS 76 -10.697 -10.091 -3.990 587 2HB LYS 76 2HB LYS 76 -12.272 -9.270 -3.862 588 1HG LYS 76 1HG LYS 76 -11.311 -7.128 -3.994 589 2HG LYS 76 2HG LYS 76 -9.691 -7.742 -3.566 590 1HD LYS 76 1HD LYS 76 -9.633 -9.075 -5.670 591 2HD LYS 76 2HD LYS 76 -11.171 -8.333 -6.162 592 1HE LYS 76 1HE LYS 76 -10.098 -6.080 -5.984 593 2HE LYS 76 2HE LYS 76 -8.576 -6.849 -5.514 594 1HZ LYS 76 1HZ LYS 76 -9.993 -7.248 -8.061 595 2HZ LYS 76 2HZ LYS 76 -8.683 -6.280 -7.821 596 3HZ LYS 76 3HZ LYS 76 -8.537 -7.920 -7.655 597 H LEU 77 H LEU 77 -10.024 -7.080 -1.836 598 HA LEU 77 HA LEU 77 -7.323 -7.845 -1.546 599 1HB LEU 77 1HB LEU 77 -8.959 -5.390 -1.091 600 2HB LEU 77 2HB LEU 77 -7.327 -5.522 -0.340 601 HG LEU 77 HG LEU 77 -7.543 -4.558 -2.814 602 1HD1 LEU 77 1HD1 LEU 77 -5.734 -4.712 -1.141 603 2HD1 LEU 77 2HD1 LEU 77 -5.540 -6.441 -1.524 604 3HD1 LEU 77 3HD1 LEU 77 -5.156 -5.212 -2.763 605 1HD2 LEU 77 1HD2 LEU 77 -6.890 -7.547 -3.042 606 2HD2 LEU 77 2HD2 LEU 77 -8.305 -6.772 -3.806 607 3HD2 LEU 77 3HD2 LEU 77 -6.649 -6.323 -4.300 608 H ALA 78 H ALA 78 -9.528 -6.716 1.150 609 HA ALA 78 HA ALA 78 -7.561 -7.206 3.125 610 1HB ALA 78 1HB ALA 78 -9.540 -5.837 3.612 611 2HB ALA 78 2HB ALA 78 -10.577 -7.286 3.481 612 3HB ALA 78 3HB ALA 78 -9.364 -7.158 4.770 613 H ALA 79 H ALA 79 -9.818 -9.482 1.522 614 HA ALA 79 HA ALA 79 -9.251 -11.662 3.313 615 1HB ALA 79 1HB ALA 79 -11.084 -11.657 1.611 616 2HB ALA 79 2HB ALA 79 -9.848 -11.625 0.323 617 3HB ALA 79 3HB ALA 79 -9.981 -13.043 1.389 618 H TYR 80 H TYR 80 -7.943 -10.733 0.132 619 HA TYR 80 HA TYR 80 -6.048 -12.763 -0.223 620 1HB TYR 80 1HB TYR 80 -6.911 -11.314 -1.959 621 2HB TYR 80 2HB TYR 80 -6.241 -9.893 -1.159 622 HD1 TYR 80 HD1 TYR 80 -4.224 -9.010 -1.797 623 HD2 TYR 80 HD2 TYR 80 -5.005 -13.178 -2.536 624 HE1 TYR 80 HE1 TYR 80 -1.921 -9.285 -2.693 625 HE2 TYR 80 HE2 TYR 80 -2.697 -13.452 -3.418 626 HH TYR 80 HH TYR 80 -0.376 -10.733 -3.441 627 H VAL 81 H VAL 81 -5.591 -9.549 1.207 628 HA VAL 81 HA VAL 81 -2.778 -9.579 1.354 629 HB VAL 81 HB VAL 81 -3.130 -7.670 2.885 630 1HG1 VAL 81 1HG1 VAL 81 -3.471 -7.482 0.418 631 2HG1 VAL 81 2HG1 VAL 81 -5.194 -7.871 0.652 632 3HG1 VAL 81 3HG1 VAL 81 -4.517 -6.365 1.328 633 1HG2 VAL 81 1HG2 VAL 81 -6.050 -8.588 2.790 634 2HG2 VAL 81 2HG2 VAL 81 -4.994 -8.682 4.211 635 3HG2 VAL 81 3HG2 VAL 81 -5.461 -7.094 3.561 636 H GLN 82 H GLN 82 -5.143 -11.000 3.527 637 HA GLN 82 HA GLN 82 -3.010 -11.371 5.580 638 1HB GLN 82 1HB GLN 82 -4.833 -11.263 7.178 639 2HB GLN 82 2HB GLN 82 -5.032 -9.925 6.045 640 1HG GLN 82 1HG GLN 82 -6.771 -11.220 4.857 641 2HG GLN 82 2HG GLN 82 -6.407 -12.628 5.857 642 1HE2 GLN 82 2HE2 GLN 82 -8.458 -10.209 5.515 643 2HE2 GLN 82 1HE2 GLN 82 -9.053 -9.939 7.164 644 H GLU 83 H GLU 83 -5.631 -12.886 3.870 645 HA GLU 83 HA GLU 83 -6.446 -15.074 4.972 646 1HB GLU 83 1HB GLU 83 -6.810 -13.968 2.751 647 2HB GLU 83 2HB GLU 83 -5.544 -15.023 2.075 648 1HG GLU 83 1HG GLU 83 -6.867 -17.008 2.686 649 2HG GLU 83 2HG GLU 83 -8.073 -15.976 3.493 650 H GLU 84 H GLU 84 -3.672 -15.554 2.728 651 HA GLU 84 HA GLU 84 -3.266 -18.182 3.991 652 1HB GLU 84 1HB GLU 84 -1.774 -18.509 2.010 653 2HB GLU 84 2HB GLU 84 -3.441 -18.106 1.572 654 1HG GLU 84 1HG GLU 84 -1.548 -15.778 1.787 655 2HG GLU 84 2HG GLU 84 -1.286 -16.917 0.454 656 H VAL 85 H VAL 85 -0.433 -17.277 2.583 657 HA VAL 85 HA VAL 85 0.910 -15.804 4.797 658 HB VAL 85 HB VAL 85 2.131 -18.242 3.364 659 1HG1 VAL 85 1HG1 VAL 85 3.171 -16.738 5.868 660 2HG1 VAL 85 2HG1 VAL 85 3.930 -18.167 5.122 661 3HG1 VAL 85 3HG1 VAL 85 3.865 -16.657 4.231 662 1HG2 VAL 85 1HG2 VAL 85 0.378 -19.185 4.934 663 2HG2 VAL 85 2HG2 VAL 85 2.018 -19.623 5.426 664 3HG2 VAL 85 3HG2 VAL 85 1.143 -18.339 6.300 Start of MODEL 20 1 1H VAL 2 1H VAL 2 -16.516 6.389 -2.256 2 2H VAL 2 2H VAL 2 -17.555 5.330 -3.048 3 3H VAL 2 3H VAL 2 -18.123 6.817 -2.506 4 HA VAL 2 HA VAL 2 -17.776 6.196 -0.247 5 HB VAL 2 HB VAL 2 -19.521 4.434 -0.137 6 1HG1 VAL 2 1HG2 VAL 2 -19.967 6.597 -2.235 7 2HG1 VAL 2 2HG2 VAL 2 -21.258 5.679 -1.422 8 3HG1 VAL 2 3HG2 VAL 2 -20.196 6.752 -0.478 9 1HG2 VAL 2 1HG1 VAL 2 -19.160 4.316 -3.163 10 2HG2 VAL 2 2HG1 VAL 2 -18.744 3.037 -2.002 11 3HG2 VAL 2 3HG1 VAL 2 -20.445 3.506 -2.234 12 H GLN 3 H GLN 3 -17.240 4.512 1.350 13 HA GLN 3 HA GLN 3 -15.959 2.162 0.257 14 1HB GLN 3 1HB GLN 3 -13.803 2.445 1.049 15 2HB GLN 3 2HB GLN 3 -14.237 3.906 0.167 16 1HG GLN 3 1HG GLN 3 -13.998 3.594 3.180 17 2HG GLN 3 2HG GLN 3 -12.924 4.454 2.045 18 1HE2 GLN 3 2HE2 GLN 3 -16.279 4.586 3.392 19 2HE2 GLN 3 1HE2 GLN 3 -16.349 6.341 3.259 20 H GLN 4 H GLN 4 -15.090 0.745 1.725 21 HA GLN 4 HA GLN 4 -16.195 0.684 4.439 22 1HB GLN 4 1HB GLN 4 -17.640 -0.472 2.584 23 2HB GLN 4 2HB GLN 4 -16.402 -1.742 2.608 24 1HG GLN 4 1HG GLN 4 -17.502 -0.857 5.254 25 2HG GLN 4 2HG GLN 4 -18.622 -1.699 4.164 26 1HE2 GLN 4 2HE2 GLN 4 -18.244 -3.856 3.506 27 2HE2 GLN 4 1HE2 GLN 4 -17.158 -4.880 4.437 28 H LYS 5 H LYS 5 -14.845 -1.360 5.586 29 HA LYS 5 HA LYS 5 -12.370 -1.892 4.251 30 1HB LYS 5 1HB LYS 5 -10.954 -0.861 5.979 31 2HB LYS 5 2HB LYS 5 -11.817 0.333 4.996 32 1HG LYS 5 1HG LYS 5 -12.843 -0.613 7.687 33 2HG LYS 5 2HG LYS 5 -11.716 0.757 7.523 34 1HD LYS 5 1HD LYS 5 -14.459 0.537 6.235 35 2HD LYS 5 2HD LYS 5 -14.041 1.547 7.634 36 1HE LYS 5 1HE LYS 5 -12.434 2.814 6.241 37 2HE LYS 5 2HE LYS 5 -12.831 1.795 4.842 38 1HZ LYS 5 1HZ LYS 5 -14.733 3.513 6.287 39 2HZ LYS 5 2HZ LYS 5 -14.029 3.881 4.849 40 3HZ LYS 5 3HZ LYS 5 -15.076 2.610 4.952 41 H VAL 6 H VAL 6 -11.669 -3.811 4.923 42 HA VAL 6 HA VAL 6 -12.706 -4.765 7.563 43 HB VAL 6 HB VAL 6 -12.587 -7.080 6.607 44 1HG1 VAL 6 1HG1 VAL 6 -14.706 -5.816 6.779 45 2HG1 VAL 6 2HG1 VAL 6 -14.409 -5.100 5.180 46 3HG1 VAL 6 3HG1 VAL 6 -14.692 -6.852 5.331 47 1HG2 VAL 6 1HG2 VAL 6 -11.047 -6.606 4.722 48 2HG2 VAL 6 2HG2 VAL 6 -12.574 -7.327 4.152 49 3HG2 VAL 6 3HG2 VAL 6 -12.287 -5.577 3.970 50 H GLU 7 H GLU 7 -11.108 -5.017 9.050 51 HA GLU 7 HA GLU 7 -8.370 -4.871 8.015 52 1HB GLU 7 1HB GLU 7 -7.712 -4.869 10.436 53 2HB GLU 7 2HB GLU 7 -8.735 -3.503 9.959 54 1HG GLU 7 1HG GLU 7 -10.045 -5.970 11.110 55 2HG GLU 7 2HG GLU 7 -9.202 -4.832 12.188 56 H VAL 8 H VAL 8 -6.753 -6.249 8.244 57 HA VAL 8 HA VAL 8 -7.274 -9.063 9.002 58 HB VAL 8 HB VAL 8 -6.355 -9.662 6.675 59 1HG1 VAL 8 1HG2 VAL 8 -8.791 -9.801 7.156 60 2HG1 VAL 8 2HG2 VAL 8 -8.974 -8.098 6.647 61 3HG1 VAL 8 3HG2 VAL 8 -8.434 -9.333 5.477 62 1HG2 VAL 8 1HG1 VAL 8 -5.456 -7.383 6.233 63 2HG2 VAL 8 2HG1 VAL 8 -6.603 -7.905 4.964 64 3HG2 VAL 8 3HG1 VAL 8 -7.121 -6.734 6.217 65 H ARG 9 H ARG 9 -5.121 -10.280 8.923 66 HA ARG 9 HA ARG 9 -3.028 -8.392 9.839 67 1HB ARG 9 1HB ARG 9 -3.510 -10.410 11.202 68 2HB ARG 9 2HB ARG 9 -3.073 -11.426 9.799 69 1HG ARG 9 1HG ARG 9 -0.767 -10.333 9.886 70 2HG ARG 9 2HG ARG 9 -1.254 -9.652 11.458 71 1HD ARG 9 1HD ARG 9 -1.623 -11.842 12.377 72 2HD ARG 9 2HD ARG 9 -1.458 -12.622 10.792 73 HE ARG 9 HE ARG 9 0.654 -11.976 12.604 74 1HH1 ARG 9 2HH1 ARG 9 -0.145 -12.107 9.183 75 2HH1 ARG 9 1HH1 ARG 9 1.499 -11.896 8.636 76 1HH2 ARG 9 1HH2 ARG 9 2.848 -12.095 11.915 77 2HH2 ARG 9 2HH2 ARG 9 3.236 -12.206 10.221 78 H LEU 10 H LEU 10 -1.097 -8.058 8.851 79 HA LEU 10 HA LEU 10 -0.866 -8.787 6.090 80 1HB LEU 10 1HB LEU 10 0.999 -7.435 8.054 81 2HB LEU 10 2HB LEU 10 1.606 -8.041 6.501 82 HG LEU 10 HG LEU 10 1.015 -5.869 6.021 83 1HD1 LEU 10 1HD2 LEU 10 0.142 -7.560 4.420 84 2HD1 LEU 10 2HD2 LEU 10 -1.414 -7.557 5.271 85 3HD1 LEU 10 3HD2 LEU 10 -0.854 -6.085 4.437 86 1HD2 LEU 10 1HD1 LEU 10 -1.603 -6.350 7.499 87 2HD2 LEU 10 2HD1 LEU 10 -0.229 -5.367 8.064 88 3HD2 LEU 10 3HD1 LEU 10 -1.161 -4.849 6.640 89 H LYS 11 H LYS 11 -1.187 -11.088 6.222 90 HA LYS 11 HA LYS 11 1.138 -12.726 7.054 91 1HB LYS 11 1HB LYS 11 -0.838 -13.977 7.101 92 2HB LYS 11 2HB LYS 11 -1.496 -13.152 5.669 93 1HG LYS 11 1HG LYS 11 0.866 -14.427 4.784 94 2HG LYS 11 2HG LYS 11 -0.129 -15.618 5.694 95 1HD LYS 11 1HD LYS 11 -1.004 -15.485 3.436 96 2HD LYS 11 2HD LYS 11 -2.136 -14.781 4.629 97 1HE LYS 11 1HE LYS 11 -1.367 -12.527 3.923 98 2HE LYS 11 2HE LYS 11 -0.388 -13.336 2.640 99 1HZ LYS 11 1HZ LYS 11 -2.467 -14.309 1.844 100 2HZ LYS 11 2HZ LYS 11 -3.305 -13.430 2.947 101 3HZ LYS 11 3HZ LYS 11 -2.452 -12.673 1.767 102 H THR 12 H THR 12 -0.169 -11.108 4.265 103 HA THR 12 HA THR 12 1.916 -11.646 2.343 104 HB THR 12 HB THR 12 1.182 -9.358 1.473 105 HG1 THR 12 HG1 THR 12 -0.874 -9.608 3.427 106 1HG2 THR 12 1HG2 THR 12 -1.076 -10.044 0.765 107 2HG2 THR 12 2HG2 THR 12 0.096 -11.364 0.601 108 3HG2 THR 12 3HG2 THR 12 -1.058 -11.364 1.959 109 H GLY 13 H GLY 13 1.215 -8.773 4.259 110 1HA GLY 13 1HA GLY 13 2.455 -7.156 5.292 111 2HA GLY 13 2HA GLY 13 3.782 -8.290 5.568 112 H LEU 14 H LEU 14 2.195 -7.524 2.580 113 HA LEU 14 HA LEU 14 2.995 -6.821 0.490 114 1HB LEU 14 1HB LEU 14 3.163 -4.681 2.550 115 2HB LEU 14 2HB LEU 14 3.468 -4.293 0.851 116 HG LEU 14 HG LEU 14 1.097 -3.873 1.489 117 1HD1 LEU 14 1HD2 LEU 14 1.506 -6.142 -0.484 118 2HD1 LEU 14 2HD2 LEU 14 0.052 -5.121 -0.372 119 3HD1 LEU 14 3HD2 LEU 14 1.609 -4.402 -0.839 120 1HD2 LEU 14 1HD1 LEU 14 0.817 -5.710 3.137 121 2HD2 LEU 14 2HD1 LEU 14 -0.455 -5.696 1.890 122 3HD2 LEU 14 3HD1 LEU 14 0.864 -6.887 1.801 123 H GLN 15 H GLN 15 4.938 -8.421 0.959 124 HA GLN 15 HA GLN 15 7.404 -6.927 1.521 125 1HB GLN 15 1HB GLN 15 7.024 -9.893 0.983 126 2HB GLN 15 2HB GLN 15 8.489 -9.107 1.624 127 1HG GLN 15 1HG GLN 15 7.113 -8.195 3.516 128 2HG GLN 15 2HG GLN 15 5.726 -9.113 2.910 129 1HE2 GLN 15 2HE2 GLN 15 5.373 -10.852 4.160 130 2HE2 GLN 15 1HE2 GLN 15 6.634 -11.901 4.819 131 H ALA 16 H ALA 16 6.455 -9.190 -1.199 132 HA ALA 16 HA ALA 16 7.898 -7.183 -2.882 133 1HB ALA 16 1HB ALA 16 9.591 -8.742 -2.108 134 2HB ALA 16 2HB ALA 16 8.646 -10.118 -2.724 135 3HB ALA 16 3HB ALA 16 9.332 -8.929 -3.859 136 H ARG 17 H ARG 17 6.027 -10.238 -2.953 137 HA ARG 17 HA ARG 17 5.375 -9.486 -5.780 138 1HB ARG 17 1HB ARG 17 5.436 -12.298 -4.673 139 2HB ARG 17 2HB ARG 17 5.368 -11.825 -6.386 140 1HG ARG 17 1HG ARG 17 7.656 -11.034 -6.309 141 2HG ARG 17 2HG ARG 17 7.603 -10.966 -4.537 142 1HD ARG 17 1HD ARG 17 7.751 -13.430 -6.281 143 2HD ARG 17 2HD ARG 17 8.896 -12.916 -5.032 144 HE ARG 17 HE ARG 17 6.743 -14.651 -4.675 145 1HH1 ARG 17 1HH2 ARG 17 7.992 -11.790 -3.032 146 2HH1 ARG 17 2HH2 ARG 17 6.859 -11.875 -1.697 147 1HH2 ARG 17 2HH1 ARG 17 5.532 -14.997 -2.797 148 2HH2 ARG 17 1HH1 ARG 17 5.546 -13.842 -1.490 149 HA PRO 18 HA PRO 18 1.276 -11.614 -4.210 150 1HB PRO 18 1HB PRO 18 1.058 -12.106 -1.545 151 2HB PRO 18 2HB PRO 18 1.960 -13.258 -2.591 152 1HG PRO 18 1HG PRO 18 3.129 -10.876 -1.084 153 2HG PRO 18 2HG PRO 18 3.652 -12.541 -0.865 154 1HD PRO 18 1HD PRO 18 4.983 -11.100 -2.532 155 2HD PRO 18 2HD PRO 18 4.453 -12.704 -3.113 156 H ALA 19 H ALA 19 3.091 -9.601 -1.937 157 HA ALA 19 HA ALA 19 1.276 -7.744 -0.991 158 1HB ALA 19 1HB ALA 19 4.094 -7.602 -2.084 159 2HB ALA 19 2HB ALA 19 3.407 -6.426 -0.915 160 3HB ALA 19 3HB ALA 19 3.664 -8.148 -0.445 161 H ALA 20 H ALA 20 3.201 -7.792 -4.006 162 HA ALA 20 HA ALA 20 2.346 -5.265 -5.085 163 1HB ALA 20 1HB ALA 20 3.381 -7.801 -6.416 164 2HB ALA 20 2HB ALA 20 3.248 -6.205 -7.194 165 3HB ALA 20 3HB ALA 20 4.388 -6.446 -5.848 166 H LEU 21 H LEU 21 1.234 -8.635 -5.231 167 HA LEU 21 HA LEU 21 -0.913 -8.184 -7.062 168 1HB LEU 21 1HB LEU 21 0.057 -10.382 -6.389 169 2HB LEU 21 2HB LEU 21 -0.865 -10.276 -4.874 170 HG LEU 21 HG LEU 21 -2.105 -10.081 -7.656 171 1HD1 LEU 21 1HD1 LEU 21 -1.767 -12.494 -5.828 172 2HD1 LEU 21 2HD1 LEU 21 -2.726 -12.465 -7.329 173 3HD1 LEU 21 3HD1 LEU 21 -0.963 -12.233 -7.393 174 1HD2 LEU 21 1HD2 LEU 21 -3.307 -10.720 -4.922 175 2HD2 LEU 21 2HD2 LEU 21 -3.501 -9.191 -5.811 176 3HD2 LEU 21 3HD2 LEU 21 -4.182 -10.696 -6.471 177 H PHE 22 H PHE 22 -0.717 -7.882 -3.517 178 HA PHE 22 HA PHE 22 -3.441 -7.252 -2.868 179 1HB PHE 22 1HB PHE 22 -1.768 -7.628 -1.213 180 2HB PHE 22 2HB PHE 22 -0.713 -6.365 -1.869 181 HD1 PHE 22 HD1 PHE 22 -3.121 -7.097 0.659 182 HD2 PHE 22 HD2 PHE 22 -1.527 -3.923 -1.777 183 HE1 PHE 22 HE1 PHE 22 -3.931 -5.419 2.301 184 HE2 PHE 22 HE2 PHE 22 -2.329 -2.253 -0.165 185 HZ PHE 22 HZ PHE 22 -3.582 -2.992 1.881 186 H VAL 23 H VAL 23 -0.692 -5.076 -3.590 187 HA VAL 23 HA VAL 23 -2.288 -2.729 -3.753 188 HB VAL 23 HB VAL 23 0.474 -3.486 -4.702 189 1HG1 VAL 23 1HG2 VAL 23 -0.877 -0.777 -5.052 190 2HG1 VAL 23 2HG2 VAL 23 0.859 -1.101 -5.246 191 3HG1 VAL 23 3HG2 VAL 23 -0.312 -1.847 -6.359 192 1HG2 VAL 23 1HG1 VAL 23 -0.736 -1.566 -2.657 193 2HG2 VAL 23 2HG1 VAL 23 0.039 -3.130 -2.305 194 3HG2 VAL 23 3HG1 VAL 23 1.009 -1.782 -2.944 195 H GLN 24 H GLN 24 -1.380 -5.060 -6.313 196 HA GLN 24 HA GLN 24 -2.416 -3.399 -8.420 197 1HB GLN 24 1HB GLN 24 -2.271 -5.417 -9.815 198 2HB GLN 24 2HB GLN 24 -0.756 -5.077 -8.948 199 1HG GLN 24 1HG GLN 24 -1.215 -6.761 -7.322 200 2HG GLN 24 2HG GLN 24 -2.863 -7.014 -7.929 201 1HE2 GLN 24 2HE2 GLN 24 -3.227 -8.320 -9.687 202 2HE2 GLN 24 1HE2 GLN 24 -1.944 -9.225 -10.493 203 H GLU 25 H GLU 25 -3.938 -5.899 -6.301 204 HA GLU 25 HA GLU 25 -6.307 -5.799 -7.985 205 1HB GLU 25 1HB GLU 25 -6.038 -6.808 -5.105 206 2HB GLU 25 2HB GLU 25 -7.353 -7.187 -6.253 207 1HG GLU 25 1HG GLU 25 -4.416 -7.881 -6.589 208 2HG GLU 25 2HG GLU 25 -5.702 -9.038 -6.163 209 H ALA 26 H ALA 26 -5.350 -4.479 -4.854 210 HA ALA 26 HA ALA 26 -7.568 -2.933 -4.116 211 1HB ALA 26 1HB ALA 26 -4.626 -2.197 -4.249 212 2HB ALA 26 2HB ALA 26 -5.828 -1.384 -3.211 213 3HB ALA 26 3HB ALA 26 -5.382 -3.091 -2.900 214 H ASN 27 H ASN 27 -4.913 -2.206 -6.329 215 HA ASN 27 HA ASN 27 -5.744 0.260 -7.404 216 1HB ASN 27 1HB ASN 27 -3.863 -1.947 -7.902 217 2HB ASN 27 2HB ASN 27 -4.369 -1.144 -9.391 218 1HD2 ASN 27 2HD2 ASN 27 -2.211 -1.051 -6.876 219 2HD2 ASN 27 1HD2 ASN 27 -1.710 0.630 -6.836 220 H ARG 28 H ARG 28 -6.254 -3.077 -8.555 221 HA ARG 28 HA ARG 28 -7.349 -2.556 -11.127 222 1HB ARG 28 1HB ARG 28 -7.999 -4.700 -9.059 223 2HB ARG 28 2HB ARG 28 -8.692 -4.667 -10.690 224 1HG ARG 28 1HG ARG 28 -6.363 -4.692 -11.642 225 2HG ARG 28 2HG ARG 28 -5.744 -4.932 -9.993 226 1HD ARG 28 1HD ARG 28 -6.053 -7.113 -11.175 227 2HD ARG 28 2HD ARG 28 -7.142 -6.977 -9.781 228 HE ARG 28 HE ARG 28 -8.122 -6.192 -12.471 229 1HH1 ARG 28 2HH1 ARG 28 -8.214 -8.454 -9.747 230 2HH1 ARG 28 1HH1 ARG 28 -9.755 -9.136 -10.186 231 1HH2 ARG 28 1HH2 ARG 28 -10.143 -7.081 -13.050 232 2HH2 ARG 28 2HH2 ARG 28 -10.856 -8.363 -12.108 233 H PHE 29 H PHE 29 -8.905 -2.883 -7.951 234 HA PHE 29 HA PHE 29 -11.509 -2.062 -8.922 235 1HB PHE 29 1HB PHE 29 -10.251 -2.127 -6.182 236 2HB PHE 29 2HB PHE 29 -11.979 -1.893 -6.464 237 HD1 PHE 29 HD1 PHE 29 -12.364 -3.807 -8.778 238 HD2 PHE 29 HD2 PHE 29 -10.090 -4.274 -5.160 239 HE1 PHE 29 HE1 PHE 29 -12.286 -6.243 -9.159 240 HE2 PHE 29 HE2 PHE 29 -10.108 -6.749 -5.493 241 HZ PHE 29 HZ PHE 29 -11.134 -7.723 -7.521 242 H THR 30 H THR 30 -11.973 -0.165 -9.563 243 HA THR 30 HA THR 30 -10.108 2.063 -9.256 244 HB THR 30 HB THR 30 -11.082 1.668 -11.360 245 HG1 THR 30 HG1 THR 30 -12.234 3.992 -10.199 246 1HG2 THR 30 1HG2 THR 30 -13.806 2.258 -10.160 247 2HG2 THR 30 2HG2 THR 30 -13.455 1.919 -11.871 248 3HG2 THR 30 3HG2 THR 30 -13.229 0.642 -10.648 249 H SER 31 H SER 31 -10.329 1.879 -6.985 250 HA SER 31 HA SER 31 -12.316 3.666 -5.767 251 1HB SER 31 1HB SER 31 -11.090 1.143 -4.567 252 2HB SER 31 2HB SER 31 -12.501 2.047 -3.969 253 HG SER 31 HG SER 31 -12.286 0.533 -6.366 254 H ASP 32 H ASP 32 -11.475 4.898 -4.057 255 HA ASP 32 HA ASP 32 -8.559 5.236 -3.999 256 1HB ASP 32 1HB ASP 32 -10.100 7.129 -3.902 257 2HB ASP 32 2HB ASP 32 -10.898 6.416 -2.485 258 H VAL 33 H VAL 33 -8.149 3.112 -3.505 259 HA VAL 33 HA VAL 33 -9.267 1.727 -1.269 260 HB VAL 33 HB VAL 33 -6.849 1.086 -2.991 261 1HG1 VAL 33 1HG1 VAL 33 -7.021 -0.220 -0.831 262 2HG1 VAL 33 2HG1 VAL 33 -8.627 -0.770 -1.358 263 3HG1 VAL 33 3HG1 VAL 33 -7.180 -1.217 -2.299 264 1HG2 VAL 33 1HG2 VAL 33 -8.994 1.451 -4.204 265 2HG2 VAL 33 2HG2 VAL 33 -8.513 -0.265 -4.247 266 3HG2 VAL 33 3HG2 VAL 33 -9.790 0.279 -3.125 267 H PHE 34 H PHE 34 -8.360 0.996 0.613 268 HA PHE 34 HA PHE 34 -5.988 2.490 1.551 269 1HB PHE 34 1HB PHE 34 -8.574 2.342 3.134 270 2HB PHE 34 2HB PHE 34 -7.047 3.057 3.647 271 HD1 PHE 34 HD1 PHE 34 -10.209 3.731 2.210 272 HD2 PHE 34 HD2 PHE 34 -6.076 4.888 1.955 273 HE1 PHE 34 HE1 PHE 34 -10.874 5.871 1.132 274 HE2 PHE 34 HE2 PHE 34 -6.750 7.056 0.919 275 HZ PHE 34 HZ PHE 34 -9.150 7.553 0.545 276 H LEU 35 H LEU 35 -5.238 1.778 3.658 277 HA LEU 35 HA LEU 35 -6.100 -0.866 4.584 278 1HB LEU 35 1HB LEU 35 -4.245 -1.255 2.922 279 2HB LEU 35 2HB LEU 35 -3.171 -0.285 3.966 280 HG LEU 35 HG LEU 35 -3.788 -1.864 5.861 281 1HD1 LEU 35 1HD1 LEU 35 -5.936 -2.632 4.854 282 2HD1 LEU 35 2HD1 LEU 35 -5.021 -3.444 3.565 283 3HD1 LEU 35 3HD1 LEU 35 -4.869 -4.002 5.249 284 1HD2 LEU 35 1HD2 LEU 35 -2.545 -3.085 3.359 285 2HD2 LEU 35 2HD2 LEU 35 -1.693 -2.176 4.630 286 3HD2 LEU 35 3HD2 LEU 35 -2.410 -3.762 4.998 287 H GLU 36 H GLU 36 -6.233 -0.687 6.737 288 HA GLU 36 HA GLU 36 -4.969 1.736 7.944 289 1HB GLU 36 1HB GLU 36 -7.422 0.355 9.020 290 2HB GLU 36 2HB GLU 36 -6.956 2.067 9.168 291 1HG GLU 36 1HG GLU 36 -7.411 2.370 6.737 292 2HG GLU 36 2HG GLU 36 -7.880 0.684 6.617 293 H LYS 37 H LYS 37 -3.224 1.019 9.093 294 HA LYS 37 HA LYS 37 -2.914 -1.602 10.283 295 1HB LYS 37 1HB LYS 37 -1.474 1.041 10.680 296 2HB LYS 37 2HB LYS 37 -0.899 -0.530 11.283 297 1HG LYS 37 1HG LYS 37 -1.553 -0.540 8.428 298 2HG LYS 37 2HG LYS 37 -0.210 0.560 8.846 299 1HD LYS 37 1HD LYS 37 -0.433 -2.407 9.496 300 2HD LYS 37 2HD LYS 37 0.702 -1.692 8.336 301 1HE LYS 37 1HE LYS 37 0.641 -0.998 11.302 302 2HE LYS 37 2HE LYS 37 1.663 -2.270 10.609 303 1HZ LYS 37 1HZ LYS 37 1.735 0.553 9.778 304 2HZ LYS 37 2HZ LYS 37 2.785 -0.147 10.841 305 3HZ LYS 37 3HZ LYS 37 2.746 -0.665 9.282 306 H ASP 38 H ASP 38 -4.639 -2.029 11.636 307 HA ASP 38 HA ASP 38 -6.025 -1.895 13.415 308 1HB ASP 38 1HB ASP 38 -3.708 -0.372 14.625 309 2HB ASP 38 2HB ASP 38 -5.083 -1.032 15.534 310 H GLY 39 H GLY 39 -6.132 0.191 11.315 311 1HA GLY 39 1HA GLY 39 -7.986 1.896 11.530 312 2HA GLY 39 2HA GLY 39 -7.171 2.380 13.041 313 H LYS 40 H LYS 40 -4.419 2.037 11.682 314 HA LYS 40 HA LYS 40 -4.251 4.818 10.847 315 1HB LYS 40 1HB LYS 40 -2.248 2.532 10.785 316 2HB LYS 40 2HB LYS 40 -1.846 4.263 10.664 317 1HG LYS 40 1HG LYS 40 -3.109 2.830 13.040 318 2HG LYS 40 2HG LYS 40 -1.429 3.387 12.944 319 1HD LYS 40 1HD LYS 40 -3.888 5.194 12.794 320 2HD LYS 40 2HD LYS 40 -2.857 4.986 14.227 321 1HE LYS 40 1HE LYS 40 -0.911 5.850 13.007 322 2HE LYS 40 2HE LYS 40 -1.869 5.972 11.518 323 1HZ LYS 40 1HZ LYS 40 -3.263 7.576 12.639 324 2HZ LYS 40 2HZ LYS 40 -2.339 7.478 14.001 325 3HZ LYS 40 3HZ LYS 40 -1.692 8.071 12.607 326 H LYS 41 H LYS 41 -5.595 4.879 8.902 327 HA LYS 41 HA LYS 41 -4.764 2.955 6.876 328 1HB LYS 41 1HB LYS 41 -6.826 2.947 6.334 329 2HB LYS 41 2HB LYS 41 -7.198 4.161 7.555 330 1HG LYS 41 1HG LYS 41 -6.518 4.579 4.625 331 2HG LYS 41 2HG LYS 41 -8.121 4.687 5.352 332 1HD LYS 41 1HD LYS 41 -7.407 6.590 6.767 333 2HD LYS 41 2HD LYS 41 -5.784 6.525 6.043 334 1HE LYS 41 1HE LYS 41 -7.202 8.265 4.973 335 2HE LYS 41 2HE LYS 41 -6.731 7.004 3.819 336 1HZ LYS 41 1HZ LYS 41 -9.313 7.122 5.212 337 2HZ LYS 41 2HZ LYS 41 -9.040 7.577 3.648 338 3HZ LYS 41 3HZ LYS 41 -8.859 6.006 4.082 339 H VAL 42 H VAL 42 -4.405 3.218 4.840 340 HA VAL 42 HA VAL 42 -3.324 5.760 3.753 341 HB VAL 42 HB VAL 42 -1.211 4.632 3.135 342 1HG1 VAL 42 1HG2 VAL 42 -1.904 4.230 6.062 343 2HG1 VAL 42 2HG2 VAL 42 -0.257 4.319 5.386 344 3HG1 VAL 42 3HG2 VAL 42 -1.327 5.753 5.333 345 1HG2 VAL 42 1HG1 VAL 42 -2.157 2.343 2.920 346 2HG2 VAL 42 2HG1 VAL 42 -0.719 2.357 3.972 347 3HG2 VAL 42 3HG1 VAL 42 -2.351 2.266 4.688 348 H ASN 43 H ASN 43 -2.669 5.380 1.353 349 HA ASN 43 HA ASN 43 -4.823 3.996 0.043 350 1HB ASN 43 1HB ASN 43 -2.308 5.413 -0.873 351 2HB ASN 43 2HB ASN 43 -3.228 4.373 -1.981 352 1HD2 ASN 43 2HD2 ASN 43 -5.883 4.790 -1.059 353 2HD2 ASN 43 1HD2 ASN 43 -6.279 6.443 -1.472 354 H ALA 44 H ALA 44 -4.998 2.080 0.328 355 HA ALA 44 HA ALA 44 -3.280 -0.022 0.797 356 1HB ALA 44 1HB ALA 44 -5.737 0.013 -1.004 357 2HB ALA 44 2HB ALA 44 -5.052 -1.451 -0.275 358 3HB ALA 44 3HB ALA 44 -5.780 -0.191 0.758 359 H LYS 45 H LYS 45 -4.248 1.301 -2.327 360 HA LYS 45 HA LYS 45 -2.640 -0.666 -3.834 361 1HB LYS 45 1HB LYS 45 -3.597 0.511 -5.792 362 2HB LYS 45 2HB LYS 45 -4.856 -0.115 -4.702 363 1HG LYS 45 1HG LYS 45 -5.272 2.091 -3.796 364 2HG LYS 45 2HG LYS 45 -3.766 2.715 -4.509 365 1HD LYS 45 1HD LYS 45 -5.513 3.500 -5.887 366 2HD LYS 45 2HD LYS 45 -4.708 2.200 -6.796 367 1HE LYS 45 1HE LYS 45 -6.492 0.600 -5.982 368 2HE LYS 45 2HE LYS 45 -7.324 1.961 -5.210 369 1HZ LYS 45 1HZ LYS 45 -6.769 1.803 -8.087 370 2HZ LYS 45 2HZ LYS 45 -8.179 1.379 -7.355 371 3HZ LYS 45 3HZ LYS 45 -7.663 2.944 -7.288 372 H SER 46 H SER 46 -1.966 2.210 -2.252 373 HA SER 46 HA SER 46 0.004 3.010 -4.315 374 1HB SER 46 1HB SER 46 -1.586 4.757 -3.544 375 2HB SER 46 2HB SER 46 -0.963 4.560 -1.886 376 HG SER 46 HG SER 46 0.029 6.293 -3.156 377 H ILE 47 H ILE 47 1.831 4.148 -3.062 378 HA ILE 47 HA ILE 47 3.634 2.202 -2.057 379 HB ILE 47 HB ILE 47 4.235 4.362 -3.123 380 1HG1 ILE 47 1HG1 ILE 47 5.733 3.009 -1.490 381 2HG1 ILE 47 2HG1 ILE 47 6.227 4.655 -1.897 382 1HG2 ILE 47 1HG2 ILE 47 2.488 5.745 -1.986 383 2HG2 ILE 47 2HG2 ILE 47 3.360 5.572 -0.461 384 3HG2 ILE 47 3HG2 ILE 47 4.104 6.477 -1.794 385 1HD1 ILE 47 1HD1 ILE 47 5.211 5.499 0.195 386 2HD1 ILE 47 2HD1 ILE 47 4.755 3.832 0.629 387 3HD1 ILE 47 3HD1 ILE 47 6.470 4.279 0.502 388 H MET 48 H MET 48 1.715 4.722 -0.317 389 HA MET 48 HA MET 48 2.950 3.930 2.119 390 1HB MET 48 1HB MET 48 2.100 6.190 1.793 391 2HB MET 48 2HB MET 48 0.467 5.597 1.492 392 1HG MET 48 1HG MET 48 0.420 4.737 3.863 393 2HG MET 48 2HG MET 48 2.062 5.353 4.089 394 1HE MET 48 1HE MET 48 2.681 7.937 3.850 395 2HE MET 48 2HE MET 48 1.726 8.090 2.353 396 3HE MET 48 3HE MET 48 1.467 9.232 3.696 397 H GLY 49 H GLY 49 0.231 2.594 0.359 398 1HA GLY 49 1HA GLY 49 -0.611 1.056 2.677 399 2HA GLY 49 2HA GLY 49 -1.103 0.778 0.969 400 H LEU 50 H LEU 50 0.870 0.036 -0.507 401 HA LEU 50 HA LEU 50 1.794 -2.449 0.263 402 1HB LEU 50 1HB LEU 50 2.111 -0.638 -1.886 403 2HB LEU 50 2HB LEU 50 3.747 -1.023 -1.323 404 HG LEU 50 HG LEU 50 1.687 -3.094 -2.178 405 1HD1 LEU 50 1HD1 LEU 50 4.373 -2.236 -3.338 406 2HD1 LEU 50 2HD1 LEU 50 3.358 -3.566 -3.943 407 3HD1 LEU 50 3HD1 LEU 50 2.779 -1.883 -4.045 408 1HD2 LEU 50 1HD2 LEU 50 3.069 -3.863 -0.283 409 2HD2 LEU 50 2HD2 LEU 50 3.479 -4.718 -1.791 410 3HD2 LEU 50 3HD2 LEU 50 4.544 -3.426 -1.179 411 H MET 51 H MET 51 3.838 0.487 0.091 412 HA MET 51 HA MET 51 6.129 -0.986 1.064 413 1HB MET 51 1HB MET 51 6.234 0.783 -0.769 414 2HB MET 51 2HB MET 51 5.779 1.981 0.458 415 1HG MET 51 1HG MET 51 7.838 0.579 1.681 416 2HG MET 51 2HG MET 51 8.380 0.683 -0.002 417 1HE MET 51 1HE MET 51 7.214 2.480 3.169 418 2HE MET 51 2HE MET 51 7.377 4.215 2.785 419 3HE MET 51 3HE MET 51 6.105 3.238 1.998 420 H SER 52 H SER 52 3.859 1.527 2.179 421 HA SER 52 HA SER 52 5.451 1.893 4.602 422 1HB SER 52 1HB SER 52 2.693 2.998 4.032 423 2HB SER 52 2HB SER 52 3.821 3.541 5.285 424 HG SER 52 HG SER 52 5.267 4.139 3.607 425 H LEU 53 H LEU 53 1.927 1.295 4.566 426 HA LEU 53 HA LEU 53 2.163 0.203 7.250 427 1HB LEU 53 1HB LEU 53 -0.146 0.758 5.360 428 2HB LEU 53 2HB LEU 53 -0.357 0.032 6.964 429 HG LEU 53 HG LEU 53 0.702 1.998 8.023 430 1HD1 LEU 53 1HD2 LEU 53 0.715 3.072 5.167 431 2HD1 LEU 53 2HD2 LEU 53 1.011 4.064 6.626 432 3HD1 LEU 53 3HD2 LEU 53 2.146 2.766 6.181 433 1HD2 LEU 53 1HD1 LEU 53 -1.742 1.793 7.614 434 2HD2 LEU 53 2HD1 LEU 53 -1.219 3.488 7.526 435 3HD2 LEU 53 3HD1 LEU 53 -1.526 2.574 6.030 436 H ALA 54 H ALA 54 0.841 -1.038 4.200 437 HA ALA 54 HA ALA 54 0.048 -3.595 5.102 438 1HB ALA 54 1HB ALA 54 0.819 -2.571 2.349 439 2HB ALA 54 2HB ALA 54 -0.057 -4.086 2.671 440 3HB ALA 54 3HB ALA 54 -0.806 -2.523 3.066 441 H VAL 55 H VAL 55 3.221 -2.408 3.997 442 HA VAL 55 HA VAL 55 4.348 -5.016 3.792 443 HB VAL 55 HB VAL 55 5.287 -2.786 2.926 444 1HG1 VAL 55 1HG2 VAL 55 5.183 -1.574 5.102 445 2HG1 VAL 55 2HG2 VAL 55 6.365 -2.719 5.783 446 3HG1 VAL 55 3HG2 VAL 55 6.837 -1.624 4.460 447 1HG2 VAL 55 1HG1 VAL 55 7.086 -4.709 4.451 448 2HG2 VAL 55 2HG1 VAL 55 6.500 -4.908 2.782 449 3HG2 VAL 55 3HG1 VAL 55 7.626 -3.584 3.175 450 H SER 56 H SER 56 3.134 -3.515 6.583 451 HA SER 56 HA SER 56 5.171 -4.663 8.308 452 1HB SER 56 1HB SER 56 2.477 -3.502 9.121 453 2HB SER 56 2HB SER 56 3.934 -3.639 10.119 454 HG SER 56 HG SER 56 3.532 -1.969 7.846 455 H THR 57 H THR 57 4.749 -6.780 7.141 456 HA THR 57 HA THR 57 2.804 -8.577 7.441 457 HB THR 57 HB THR 57 5.653 -9.020 8.414 458 HG1 THR 57 HG1 THR 57 5.912 -9.544 6.112 459 1HG2 THR 57 1HG2 THR 57 5.266 -11.307 7.491 460 2HG2 THR 57 2HG2 THR 57 4.130 -10.906 8.805 461 3HG2 THR 57 3HG2 THR 57 3.583 -10.841 7.115 462 H GLY 58 H GLY 58 1.451 -9.211 8.972 463 1HA GLY 58 1HA GLY 58 0.936 -10.095 11.117 464 2HA GLY 58 2HA GLY 58 2.318 -9.236 11.801 465 H THR 59 H THR 59 0.974 -6.790 10.005 466 HA THR 59 HA THR 59 -0.355 -5.839 12.436 467 HB THR 59 HB THR 59 -0.246 -4.473 9.719 468 HG1 THR 59 HG1 THR 59 1.850 -5.003 10.570 469 1HG2 THR 59 1HG2 THR 59 -0.499 -2.438 11.126 470 2HG2 THR 59 2HG2 THR 59 -1.862 -3.559 11.360 471 3HG2 THR 59 3HG2 THR 59 -0.570 -3.461 12.578 472 H GLU 60 H GLU 60 -2.575 -5.487 12.699 473 HA GLU 60 HA GLU 60 -4.305 -6.871 10.742 474 1HB GLU 60 1HB GLU 60 -5.150 -5.512 13.316 475 2HB GLU 60 2HB GLU 60 -5.979 -6.806 12.408 476 1HG GLU 60 1HG GLU 60 -3.280 -7.149 13.775 477 2HG GLU 60 2HG GLU 60 -4.830 -7.623 14.494 478 H VAL 61 H VAL 61 -4.213 -5.452 9.031 479 HA VAL 61 HA VAL 61 -4.990 -2.616 9.549 480 HB VAL 61 HB VAL 61 -4.017 -2.231 7.246 481 1HG1 VAL 61 1HG1 VAL 61 -2.228 -3.532 9.353 482 2HG1 VAL 61 2HG1 VAL 61 -1.631 -2.579 7.968 483 3HG1 VAL 61 3HG1 VAL 61 -2.628 -1.803 9.214 484 1HG2 VAL 61 1HG2 VAL 61 -4.271 -4.645 6.580 485 2HG2 VAL 61 2HG2 VAL 61 -2.616 -3.988 6.326 486 3HG2 VAL 61 3HG2 VAL 61 -2.963 -5.031 7.738 487 H THR 62 H THR 62 -6.840 -1.859 8.840 488 HA THR 62 HA THR 62 -8.708 -3.613 7.611 489 HB THR 62 HB THR 62 -9.092 -0.622 7.862 490 HG1 THR 62 HG1 THR 62 -9.365 -0.888 10.085 491 1HG2 THR 62 1HG2 THR 62 -11.304 -1.354 8.793 492 2HG2 THR 62 2HG2 THR 62 -11.041 -1.989 7.165 493 3HG2 THR 62 3HG2 THR 62 -10.810 -3.047 8.579 494 H LEU 63 H LEU 63 -8.780 -4.068 5.480 495 HA LEU 63 HA LEU 63 -7.658 -2.209 3.541 496 1HB LEU 63 1HB LEU 63 -7.623 -4.806 3.611 497 2HB LEU 63 2HB LEU 63 -9.274 -4.701 2.957 498 HG LEU 63 HG LEU 63 -7.534 -4.988 1.226 499 1HD1 LEU 63 1HD1 LEU 63 -8.881 -2.253 1.156 500 2HD1 LEU 63 2HD1 LEU 63 -8.217 -3.110 -0.255 501 3HD1 LEU 63 3HD1 LEU 63 -9.595 -3.801 0.632 502 1HD2 LEU 63 1HD2 LEU 63 -5.733 -3.772 2.431 503 2HD2 LEU 63 2HD2 LEU 63 -5.932 -3.186 0.761 504 3HD2 LEU 63 3HD2 LEU 63 -6.586 -2.239 2.119 505 H ILE 64 H ILE 64 -8.723 -0.576 2.830 506 HA ILE 64 HA ILE 64 -11.706 -0.474 2.819 507 HB ILE 64 HB ILE 64 -9.691 1.790 2.478 508 1HG1 ILE 64 1HG1 ILE 64 -11.156 1.084 5.034 509 2HG1 ILE 64 2HG1 ILE 64 -9.402 0.910 4.762 510 1HG2 ILE 64 1HG2 ILE 64 -12.655 1.781 3.150 511 2HG2 ILE 64 2HG2 ILE 64 -11.626 3.232 3.047 512 3HG2 ILE 64 3HG2 ILE 64 -11.925 2.247 1.594 513 1HD1 ILE 64 1HD1 ILE 64 -9.303 3.369 4.249 514 2HD1 ILE 64 2HD1 ILE 64 -11.044 3.487 4.586 515 3HD1 ILE 64 3HD1 ILE 64 -9.916 3.059 5.896 516 H ALA 65 H ALA 65 -12.613 0.551 0.861 517 HA ALA 65 HA ALA 65 -10.786 1.174 -1.343 518 1HB ALA 65 1HB ALA 65 -12.955 -0.965 -1.603 519 2HB ALA 65 2HB ALA 65 -11.992 -0.302 -2.945 520 3HB ALA 65 3HB ALA 65 -11.199 -1.265 -1.671 521 H GLN 66 H GLN 66 -11.494 3.326 -1.241 522 HA GLN 66 HA GLN 66 -14.439 3.544 -1.277 523 1HB GLN 66 1HB GLN 66 -14.165 5.755 -0.423 524 2HB GLN 66 2HB GLN 66 -12.969 4.767 0.384 525 1HG GLN 66 1HG GLN 66 -11.255 6.018 -0.434 526 2HG GLN 66 2HG GLN 66 -11.903 5.859 -2.073 527 1HE2 GLN 66 2HE2 GLN 66 -13.138 7.525 0.929 528 2HE2 GLN 66 1HE2 GLN 66 -13.348 9.063 0.119 529 H GLY 67 H GLY 67 -14.505 2.562 -3.316 530 1HA GLY 67 1HA GLY 67 -14.230 4.541 -5.535 531 2HA GLY 67 2HA GLY 67 -13.311 3.065 -5.614 532 H GLU 68 H GLU 68 -14.519 3.054 -7.597 533 HA GLU 68 HA GLU 68 -17.215 2.290 -7.827 534 1HB GLU 68 1HB GLU 68 -14.816 1.449 -9.502 535 2HB GLU 68 2HB GLU 68 -16.514 1.480 -10.026 536 1HG GLU 68 1HG GLU 68 -14.798 3.877 -9.241 537 2HG GLU 68 2HG GLU 68 -15.369 3.476 -10.873 538 H ASP 69 H ASP 69 -14.367 0.339 -6.754 539 HA ASP 69 HA ASP 69 -16.132 -2.072 -6.884 540 1HB ASP 69 1HB ASP 69 -13.149 -1.987 -6.815 541 2HB ASP 69 2HB ASP 69 -14.194 -3.395 -6.946 542 H GLU 70 H GLU 70 -15.899 0.267 -4.824 543 HA GLU 70 HA GLU 70 -14.479 0.089 -2.704 544 1HB GLU 70 1HB GLU 70 -16.497 1.447 -3.059 545 2HB GLU 70 2HB GLU 70 -17.495 -0.004 -2.864 546 1HG GLU 70 1HG GLU 70 -16.183 -0.049 -0.495 547 2HG GLU 70 2HG GLU 70 -16.249 1.707 -0.812 548 H GLN 71 H GLN 71 -17.495 -1.656 -2.155 549 HA GLN 71 HA GLN 71 -16.673 -3.319 -0.142 550 1HB GLN 71 1HB GLN 71 -18.967 -2.774 -0.866 551 2HB GLN 71 2HB GLN 71 -18.779 -3.842 -2.271 552 1HG GLN 71 1HG GLN 71 -20.034 -4.885 -0.397 553 2HG GLN 71 2HG GLN 71 -18.561 -5.782 -0.812 554 1HE2 GLN 71 2HE2 GLN 71 -16.753 -5.734 0.605 555 2HE2 GLN 71 1HE2 GLN 71 -17.025 -5.355 2.315 556 H GLU 72 H GLU 72 -15.987 -3.783 -3.564 557 HA GLU 72 HA GLU 72 -15.551 -6.658 -3.455 558 1HB GLU 72 1HB GLU 72 -16.059 -5.612 -5.652 559 2HB GLU 72 2HB GLU 72 -14.963 -4.274 -5.265 560 1HG GLU 72 1HG GLU 72 -13.894 -5.493 -6.925 561 2HG GLU 72 2HG GLU 72 -13.013 -5.794 -5.425 562 H ALA 73 H ALA 73 -13.633 -3.722 -3.823 563 HA ALA 73 HA ALA 73 -11.058 -4.766 -3.896 564 1HB ALA 73 1HB ALA 73 -12.388 -2.128 -3.178 565 2HB ALA 73 2HB ALA 73 -10.649 -2.267 -3.584 566 3HB ALA 73 3HB ALA 73 -11.915 -2.666 -4.789 567 H LEU 74 H LEU 74 -12.744 -3.018 -1.291 568 HA LEU 74 HA LEU 74 -10.703 -3.159 0.609 569 1HB LEU 74 1HB LEU 74 -12.477 -2.481 2.185 570 2HB LEU 74 2HB LEU 74 -12.487 -1.642 0.612 571 HG LEU 74 HG LEU 74 -14.254 -3.429 -0.076 572 1HD1 LEU 74 1HD2 LEU 74 -14.660 -3.149 2.926 573 2HD1 LEU 74 2HD2 LEU 74 -15.805 -3.882 1.771 574 3HD1 LEU 74 3HD2 LEU 74 -14.222 -4.655 2.070 575 1HD2 LEU 74 1HD1 LEU 74 -14.786 -1.003 1.692 576 2HD2 LEU 74 2HD1 LEU 74 -14.513 -0.990 -0.067 577 3HD2 LEU 74 3HD1 LEU 74 -15.965 -1.766 0.592 578 H GLU 75 H GLU 75 -13.476 -5.490 0.290 579 HA GLU 75 HA GLU 75 -12.277 -7.027 2.450 580 1HB GLU 75 1HB GLU 75 -14.721 -7.513 0.724 581 2HB GLU 75 2HB GLU 75 -14.127 -8.651 1.961 582 1HG GLU 75 1HG GLU 75 -14.030 -6.702 3.581 583 2HG GLU 75 2HG GLU 75 -14.951 -5.765 2.392 584 H LYS 76 H LYS 76 -12.422 -7.488 -1.147 585 HA LYS 76 HA LYS 76 -11.349 -10.132 -0.974 586 1HB LYS 76 1HB LYS 76 -10.869 -9.949 -3.329 587 2HB LYS 76 2HB LYS 76 -12.431 -9.221 -2.912 588 1HG LYS 76 1HG LYS 76 -11.562 -7.860 -4.552 589 2HG LYS 76 2HG LYS 76 -11.468 -6.987 -3.024 590 1HD LYS 76 1HD LYS 76 -9.446 -6.543 -4.222 591 2HD LYS 76 2HD LYS 76 -9.006 -7.631 -2.908 592 1HE LYS 76 1HE LYS 76 -9.484 -8.487 -5.810 593 2HE LYS 76 2HE LYS 76 -7.903 -8.212 -5.064 594 1HZ LYS 76 1HZ LYS 76 -8.455 -9.946 -3.468 595 2HZ LYS 76 2HZ LYS 76 -9.840 -10.267 -4.303 596 3HZ LYS 76 3HZ LYS 76 -8.380 -10.492 -5.021 597 H LEU 77 H LEU 77 -9.833 -6.956 -1.298 598 HA LEU 77 HA LEU 77 -7.140 -7.799 -1.315 599 1HB LEU 77 1HB LEU 77 -8.732 -5.392 -0.887 600 2HB LEU 77 2HB LEU 77 -7.179 -5.387 -0.002 601 HG LEU 77 HG LEU 77 -7.182 -4.545 -2.537 602 1HD1 LEU 77 1HD1 LEU 77 -5.512 -4.645 -0.732 603 2HD1 LEU 77 2HD1 LEU 77 -5.279 -6.383 -1.079 604 3HD1 LEU 77 3HD1 LEU 77 -4.819 -5.162 -2.312 605 1HD2 LEU 77 1HD2 LEU 77 -6.575 -7.555 -2.602 606 2HD2 LEU 77 2HD2 LEU 77 -7.784 -6.730 -3.620 607 3HD2 LEU 77 3HD2 LEU 77 -6.046 -6.393 -3.832 608 H ALA 78 H ALA 78 -9.069 -6.623 1.596 609 HA ALA 78 HA ALA 78 -7.031 -7.194 3.440 610 1HB ALA 78 1HB ALA 78 -9.125 -6.018 4.067 611 2HB ALA 78 2HB ALA 78 -10.017 -7.556 3.907 612 3HB ALA 78 3HB ALA 78 -8.763 -7.374 5.145 613 H ALA 79 H ALA 79 -9.479 -9.394 2.060 614 HA ALA 79 HA ALA 79 -8.925 -11.698 3.665 615 1HB ALA 79 1HB ALA 79 -10.800 -11.516 2.029 616 2HB ALA 79 2HB ALA 79 -9.606 -11.487 0.702 617 3HB ALA 79 3HB ALA 79 -9.790 -12.949 1.703 618 H TYR 80 H TYR 80 -7.707 -10.680 0.516 619 HA TYR 80 HA TYR 80 -5.746 -12.548 -0.033 620 1HB TYR 80 1HB TYR 80 -6.889 -10.738 -1.388 621 2HB TYR 80 2HB TYR 80 -5.808 -9.581 -0.626 622 HD1 TYR 80 HD1 TYR 80 -3.965 -8.913 -1.752 623 HD2 TYR 80 HD2 TYR 80 -5.323 -12.972 -2.194 624 HE1 TYR 80 HE1 TYR 80 -1.800 -9.530 -2.800 625 HE2 TYR 80 HE2 TYR 80 -3.142 -13.589 -3.217 626 HH TYR 80 HH TYR 80 -0.585 -11.122 -3.643 627 H VAL 81 H VAL 81 -5.548 -9.849 2.266 628 HA VAL 81 HA VAL 81 -2.643 -9.765 2.087 629 HB VAL 81 HB VAL 81 -2.771 -7.965 3.612 630 1HG1 VAL 81 1HG2 VAL 81 -5.597 -8.168 2.490 631 2HG1 VAL 81 2HG2 VAL 81 -4.859 -6.681 3.126 632 3HG1 VAL 81 3HG2 VAL 81 -4.230 -7.445 1.633 633 1HG2 VAL 81 1HG1 VAL 81 -3.774 -9.348 5.420 634 2HG2 VAL 81 2HG1 VAL 81 -4.617 -7.776 5.274 635 3HG2 VAL 81 3HG1 VAL 81 -5.339 -9.255 4.597 636 H GLN 82 H GLN 82 -5.009 -11.472 4.091 637 HA GLN 82 HA GLN 82 -2.778 -12.268 5.887 638 1HB GLN 82 1HB GLN 82 -4.603 -12.492 7.514 639 2HB GLN 82 2HB GLN 82 -4.652 -10.876 6.774 640 1HG GLN 82 1HG GLN 82 -6.440 -11.546 5.297 641 2HG GLN 82 2HG GLN 82 -6.368 -13.175 5.931 642 1HE2 GLN 82 2HE2 GLN 82 -8.638 -11.922 6.167 643 2HE2 GLN 82 1HE2 GLN 82 -9.021 -11.434 7.825 644 H GLU 83 H GLU 83 -5.458 -13.436 3.985 645 HA GLU 83 HA GLU 83 -6.324 -15.754 4.704 646 1HB GLU 83 1HB GLU 83 -6.547 -14.264 2.719 647 2HB GLU 83 2HB GLU 83 -5.283 -15.226 1.906 648 1HG GLU 83 1HG GLU 83 -6.684 -17.226 2.044 649 2HG GLU 83 2HG GLU 83 -7.884 -16.352 3.032 650 H GLU 84 H GLU 84 -3.190 -15.815 2.867 651 HA GLU 84 HA GLU 84 -2.879 -18.604 3.909 652 1HB GLU 84 1HB GLU 84 -1.459 -18.928 1.838 653 2HB GLU 84 2HB GLU 84 -3.209 -18.803 1.598 654 1HG GLU 84 1HG GLU 84 -1.551 -16.289 1.370 655 2HG GLU 84 2HG GLU 84 -1.574 -17.464 0.031 656 H VAL 85 H VAL 85 -0.277 -17.281 2.202 657 HA VAL 85 HA VAL 85 1.256 -16.025 4.405 658 HB VAL 85 HB VAL 85 1.858 -18.366 4.882 659 1HG1 VAL 85 1HG1 VAL 85 2.407 -18.866 1.872 660 2HG1 VAL 85 2HG1 VAL 85 2.803 -19.984 3.202 661 3HG1 VAL 85 3HG1 VAL 85 1.124 -19.624 2.845 662 1HG2 VAL 85 1HG2 VAL 85 3.837 -16.787 4.751 663 2HG2 VAL 85 2HG2 VAL 85 4.284 -18.449 4.351 664 3HG2 VAL 85 3HG2 VAL 85 4.094 -17.246 3.050 Start of MODEL 21 1 1H VAL 2 1H VAL 2 -16.452 7.233 -0.445 2 2H VAL 2 2H VAL 2 -16.337 6.993 -2.105 3 3H VAL 2 3H VAL 2 -17.704 7.723 -1.454 4 HA VAL 2 HA VAL 2 -18.307 5.726 -0.316 5 HB VAL 2 HB VAL 2 -18.817 4.357 -2.328 6 1HG1 VAL 2 1HG2 VAL 2 -20.203 6.325 -1.757 7 2HG1 VAL 2 2HG2 VAL 2 -19.119 7.367 -2.716 8 3HG1 VAL 2 3HG2 VAL 2 -20.091 6.110 -3.519 9 1HG2 VAL 2 1HG1 VAL 2 -16.692 4.693 -3.554 10 2HG2 VAL 2 2HG1 VAL 2 -18.095 5.150 -4.550 11 3HG2 VAL 2 3HG1 VAL 2 -17.097 6.412 -3.788 12 H GLN 3 H GLN 3 -16.392 5.379 1.033 13 HA GLN 3 HA GLN 3 -14.447 3.408 -0.048 14 1HB GLN 3 1HB GLN 3 -13.780 5.740 0.753 15 2HB GLN 3 2HB GLN 3 -14.322 5.251 2.367 16 1HG GLN 3 1HG GLN 3 -12.654 3.410 2.332 17 2HG GLN 3 2HG GLN 3 -12.033 3.984 0.781 18 1HE2 GLN 3 2HE2 GLN 3 -11.866 6.733 0.996 19 2HE2 GLN 3 1HE2 GLN 3 -10.854 7.126 2.370 20 H GLN 4 H GLN 4 -14.610 1.322 0.682 21 HA GLN 4 HA GLN 4 -15.574 1.018 3.486 22 1HB GLN 4 1HB GLN 4 -16.897 -0.077 1.218 23 2HB GLN 4 2HB GLN 4 -15.977 -1.417 1.919 24 1HG GLN 4 1HG GLN 4 -17.881 0.416 3.437 25 2HG GLN 4 2HG GLN 4 -18.198 -1.271 2.966 26 1HE2 GLN 4 2HE2 GLN 4 -16.898 -2.968 3.947 27 2HE2 GLN 4 1HE2 GLN 4 -15.888 -2.654 5.376 28 H LYS 5 H LYS 5 -14.496 -0.740 4.679 29 HA LYS 5 HA LYS 5 -12.243 -2.053 3.359 30 1HB LYS 5 1HB LYS 5 -10.889 -1.369 5.455 31 2HB LYS 5 2HB LYS 5 -11.026 -0.234 4.108 32 1HG LYS 5 1HG LYS 5 -13.006 -0.066 6.382 33 2HG LYS 5 2HG LYS 5 -11.372 0.628 6.559 34 1HD LYS 5 1HD LYS 5 -11.654 1.960 4.520 35 2HD LYS 5 2HD LYS 5 -13.273 1.265 4.269 36 1HE LYS 5 1HE LYS 5 -14.016 2.247 6.420 37 2HE LYS 5 2HE LYS 5 -12.399 2.955 6.643 38 1HZ LYS 5 1HZ LYS 5 -14.237 3.531 4.414 39 2HZ LYS 5 2HZ LYS 5 -13.934 4.518 5.699 40 3HZ LYS 5 3HZ LYS 5 -12.730 4.188 4.623 41 H VAL 6 H VAL 6 -11.406 -3.745 4.536 42 HA VAL 6 HA VAL 6 -12.852 -4.702 6.950 43 HB VAL 6 HB VAL 6 -12.743 -7.031 5.915 44 1HG1 VAL 6 1HG1 VAL 6 -14.547 -4.940 4.635 45 2HG1 VAL 6 2HG1 VAL 6 -14.848 -6.696 4.642 46 3HG1 VAL 6 3HG1 VAL 6 -14.843 -5.784 6.171 47 1HG2 VAL 6 1HG2 VAL 6 -11.207 -6.455 4.037 48 2HG2 VAL 6 2HG2 VAL 6 -12.730 -7.184 3.470 49 3HG2 VAL 6 3HG2 VAL 6 -12.479 -5.423 3.340 50 H GLU 7 H GLU 7 -11.252 -5.080 8.499 51 HA GLU 7 HA GLU 7 -8.528 -4.958 7.437 52 1HB GLU 7 1HB GLU 7 -7.845 -4.723 9.816 53 2HB GLU 7 2HB GLU 7 -9.095 -3.550 9.354 54 1HG GLU 7 1HG GLU 7 -9.803 -4.284 11.444 55 2HG GLU 7 2HG GLU 7 -10.774 -5.292 10.353 56 H VAL 8 H VAL 8 -6.810 -6.263 7.982 57 HA VAL 8 HA VAL 8 -7.309 -9.003 8.875 58 HB VAL 8 HB VAL 8 -6.196 -9.796 6.674 59 1HG1 VAL 8 1HG1 VAL 8 -9.035 -8.715 6.741 60 2HG1 VAL 8 2HG1 VAL 8 -8.405 -9.934 5.592 61 3HG1 VAL 8 3HG1 VAL 8 -8.472 -10.302 7.329 62 1HG2 VAL 8 1HG2 VAL 8 -7.323 -7.097 5.794 63 2HG2 VAL 8 2HG2 VAL 8 -5.608 -7.567 5.771 64 3HG2 VAL 8 3HG2 VAL 8 -6.769 -8.391 4.697 65 H ARG 9 H ARG 9 -5.116 -10.231 8.699 66 HA ARG 9 HA ARG 9 -3.117 -8.370 9.813 67 1HB ARG 9 1HB ARG 9 -3.551 -10.687 10.759 68 2HB ARG 9 2HB ARG 9 -2.891 -11.331 9.217 69 1HG ARG 9 1HG ARG 9 -0.760 -10.002 9.777 70 2HG ARG 9 2HG ARG 9 -1.479 -9.817 11.401 71 1HD ARG 9 1HD ARG 9 -0.272 -11.772 11.673 72 2HD ARG 9 2HD ARG 9 -1.834 -12.444 11.196 73 HE ARG 9 HE ARG 9 0.693 -12.414 9.707 74 1HH1 ARG 9 2HH1 ARG 9 -2.799 -12.937 9.377 75 2HH1 ARG 9 1HH1 ARG 9 -2.638 -13.971 7.978 76 1HH2 ARG 9 1HH2 ARG 9 0.909 -14.034 8.161 77 2HH2 ARG 9 2HH2 ARG 9 -0.481 -14.810 7.455 78 H LEU 10 H LEU 10 -1.140 -7.908 8.867 79 HA LEU 10 HA LEU 10 -0.885 -8.291 6.032 80 1HB LEU 10 1HB LEU 10 0.962 -7.282 8.200 81 2HB LEU 10 2HB LEU 10 1.648 -7.854 6.665 82 HG LEU 10 HG LEU 10 1.306 -5.663 6.154 83 1HD1 LEU 10 1HD2 LEU 10 0.236 -7.191 4.550 84 2HD1 LEU 10 2HD2 LEU 10 -1.318 -7.016 5.405 85 3HD1 LEU 10 3HD2 LEU 10 -0.585 -5.607 4.589 86 1HD2 LEU 10 1HD1 LEU 10 -1.326 -5.802 7.681 87 2HD2 LEU 10 2HD1 LEU 10 0.182 -5.035 8.233 88 3HD2 LEU 10 3HD1 LEU 10 -0.694 -4.365 6.841 89 H LYS 11 H LYS 11 -1.294 -10.499 5.713 90 HA LYS 11 HA LYS 11 0.533 -12.499 6.767 91 1HB LYS 11 1HB LYS 11 -1.582 -13.223 6.201 92 2HB LYS 11 2HB LYS 11 -1.564 -12.408 4.615 93 1HG LYS 11 1HG LYS 11 0.543 -14.452 5.226 94 2HG LYS 11 2HG LYS 11 -1.105 -14.996 4.916 95 1HD LYS 11 1HD LYS 11 0.605 -13.242 3.106 96 2HD LYS 11 2HD LYS 11 0.128 -14.913 2.741 97 1HE LYS 11 1HE LYS 11 -2.091 -13.057 3.477 98 2HE LYS 11 2HE LYS 11 -1.190 -12.603 2.015 99 1HZ LYS 11 1HZ LYS 11 -1.555 -14.735 1.048 100 2HZ LYS 11 2HZ LYS 11 -2.501 -15.197 2.308 101 3HZ LYS 11 3HZ LYS 11 -2.959 -13.943 1.362 102 H THR 12 H THR 12 0.147 -10.564 3.780 103 HA THR 12 HA THR 12 2.635 -11.513 2.578 104 HB THR 12 HB THR 12 2.306 -9.606 1.055 105 HG1 THR 12 HG1 THR 12 0.383 -8.318 1.419 106 1HG2 THR 12 1HG2 THR 12 -0.331 -11.001 1.741 107 2HG2 THR 12 2HG2 THR 12 0.058 -10.214 0.187 108 3HG2 THR 12 3HG2 THR 12 0.949 -11.669 0.699 109 H GLY 13 H GLY 13 1.485 -8.584 4.235 110 1HA GLY 13 1HA GLY 13 2.603 -6.863 5.361 111 2HA GLY 13 2HA GLY 13 4.044 -7.903 5.541 112 H LEU 14 H LEU 14 2.304 -7.493 2.566 113 HA LEU 14 HA LEU 14 3.004 -6.810 0.469 114 1HB LEU 14 1HB LEU 14 2.857 -4.392 2.236 115 2HB LEU 14 2HB LEU 14 2.894 -4.312 0.469 116 HG LEU 14 HG LEU 14 0.592 -4.194 1.091 117 1HD1 LEU 14 1HD1 LEU 14 1.165 -7.042 0.218 118 2HD1 LEU 14 2HD1 LEU 14 -0.411 -6.219 0.112 119 3HD1 LEU 14 3HD1 LEU 14 0.968 -5.631 -0.848 120 1HD2 LEU 14 1HD2 LEU 14 0.744 -5.171 3.368 121 2HD2 LEU 14 2HD2 LEU 14 -0.605 -5.824 2.406 122 3HD2 LEU 14 3HD2 LEU 14 0.874 -6.784 2.636 123 H GLN 15 H GLN 15 5.017 -7.999 0.855 124 HA GLN 15 HA GLN 15 7.354 -6.208 1.225 125 1HB GLN 15 1HB GLN 15 7.267 -9.239 1.065 126 2HB GLN 15 2HB GLN 15 8.669 -8.238 1.519 127 1HG GLN 15 1HG GLN 15 7.309 -7.270 3.393 128 2HG GLN 15 2HG GLN 15 5.997 -8.385 2.982 129 1HE2 GLN 15 2HE2 GLN 15 5.957 -10.271 4.128 130 2HE2 GLN 15 1HE2 GLN 15 7.364 -11.007 4.875 131 H ALA 16 H ALA 16 6.581 -8.864 -1.148 132 HA ALA 16 HA ALA 16 7.891 -7.138 -3.173 133 1HB ALA 16 1HB ALA 16 9.644 -8.534 -2.182 134 2HB ALA 16 2HB ALA 16 8.704 -9.999 -2.558 135 3HB ALA 16 3HB ALA 16 9.348 -8.990 -3.876 136 H ARG 17 H ARG 17 5.819 -10.016 -2.546 137 HA ARG 17 HA ARG 17 5.149 -9.751 -5.444 138 1HB ARG 17 1HB ARG 17 6.318 -11.842 -5.267 139 2HB ARG 17 2HB ARG 17 5.239 -12.393 -3.962 140 1HG ARG 17 1HG ARG 17 4.624 -13.242 -6.308 141 2HG ARG 17 2HG ARG 17 3.327 -12.408 -5.427 142 1HD ARG 17 1HD ARG 17 3.962 -10.276 -6.613 143 2HD ARG 17 2HD ARG 17 5.080 -11.217 -7.609 144 HE ARG 17 HE ARG 17 3.127 -12.438 -8.484 145 1HH1 ARG 17 2HH1 ARG 17 2.364 -9.490 -6.634 146 2HH1 ARG 17 1HH1 ARG 17 1.068 -9.026 -7.713 147 1HH2 ARG 17 1HH2 ARG 17 1.293 -11.819 -9.795 148 2HH2 ARG 17 2HH2 ARG 17 0.423 -10.346 -9.406 149 HA PRO 18 HA PRO 18 0.957 -10.864 -3.448 150 1HB PRO 18 1HB PRO 18 0.758 -11.186 -0.774 151 2HB PRO 18 2HB PRO 18 1.186 -12.543 -1.865 152 1HG PRO 18 1HG PRO 18 3.120 -10.690 -0.418 153 2HG PRO 18 2HG PRO 18 3.069 -12.467 -0.294 154 1HD PRO 18 1HD PRO 18 4.743 -11.292 -2.017 155 2HD PRO 18 2HD PRO 18 3.776 -12.680 -2.615 156 H ALA 19 H ALA 19 3.394 -8.955 -1.682 157 HA ALA 19 HA ALA 19 1.980 -6.748 -0.872 158 1HB ALA 19 1HB ALA 19 4.492 -7.125 -0.856 159 2HB ALA 19 2HB ALA 19 4.476 -6.802 -2.609 160 3HB ALA 19 3HB ALA 19 4.036 -5.505 -1.468 161 H ALA 20 H ALA 20 3.342 -7.348 -4.081 162 HA ALA 20 HA ALA 20 2.259 -5.009 -5.384 163 1HB ALA 20 1HB ALA 20 4.321 -6.162 -6.148 164 2HB ALA 20 2HB ALA 20 3.363 -7.628 -6.489 165 3HB ALA 20 3HB ALA 20 3.079 -6.138 -7.421 166 H LEU 21 H LEU 21 1.332 -8.364 -4.898 167 HA LEU 21 HA LEU 21 -0.846 -8.566 -6.700 168 1HB LEU 21 1HB LEU 21 0.415 -10.318 -5.254 169 2HB LEU 21 2HB LEU 21 -0.712 -9.868 -3.963 170 HG LEU 21 HG LEU 21 -1.470 -11.859 -5.179 171 1HD1 LEU 21 1HD2 LEU 21 -3.161 -9.424 -5.871 172 2HD1 LEU 21 2HD2 LEU 21 -3.721 -11.114 -5.869 173 3HD1 LEU 21 3HD2 LEU 21 -3.214 -10.343 -4.348 174 1HD2 LEU 21 1HD1 LEU 21 -0.294 -11.359 -7.292 175 2HD2 LEU 21 2HD1 LEU 21 -2.007 -11.754 -7.570 176 3HD2 LEU 21 3HD1 LEU 21 -1.462 -10.059 -7.631 177 H PHE 22 H PHE 22 -0.689 -7.566 -3.269 178 HA PHE 22 HA PHE 22 -3.377 -6.944 -2.775 179 1HB PHE 22 1HB PHE 22 -1.590 -6.973 -1.052 180 2HB PHE 22 2HB PHE 22 -0.802 -5.626 -1.866 181 HD1 PHE 22 HD1 PHE 22 -0.748 -4.410 0.261 182 HD2 PHE 22 HD2 PHE 22 -4.440 -5.381 -1.726 183 HE1 PHE 22 HE1 PHE 22 -1.873 -2.540 1.443 184 HE2 PHE 22 HE2 PHE 22 -5.547 -3.479 -0.589 185 HZ PHE 22 HZ PHE 22 -4.288 -2.083 1.027 186 H VAL 23 H VAL 23 -0.764 -4.642 -3.681 187 HA VAL 23 HA VAL 23 -2.419 -2.415 -4.162 188 HB VAL 23 HB VAL 23 0.258 -3.280 -5.291 189 1HG1 VAL 23 1HG2 VAL 23 -1.098 -0.569 -5.596 190 2HG1 VAL 23 2HG2 VAL 23 0.577 -0.953 -6.044 191 3HG1 VAL 23 3HG2 VAL 23 -0.776 -1.724 -6.907 192 1HG2 VAL 23 1HG1 VAL 23 0.051 -2.790 -2.856 193 2HG2 VAL 23 2HG1 VAL 23 1.072 -1.584 -3.652 194 3HG2 VAL 23 3HG1 VAL 23 -0.606 -1.190 -3.218 195 H GLN 24 H GLN 24 -1.353 -4.956 -6.365 196 HA GLN 24 HA GLN 24 -2.329 -4.234 -8.828 197 1HB GLN 24 1HB GLN 24 -0.850 -6.131 -8.215 198 2HB GLN 24 2HB GLN 24 -2.200 -6.881 -7.353 199 1HG GLN 24 1HG GLN 24 -3.421 -6.972 -9.561 200 2HG GLN 24 2HG GLN 24 -1.856 -6.606 -10.338 201 1HE2 GLN 24 2HE2 GLN 24 -3.895 -9.083 -9.145 202 2HE2 GLN 24 1HE2 GLN 24 -2.691 -10.353 -9.056 203 H GLU 25 H GLU 25 -4.012 -6.333 -6.436 204 HA GLU 25 HA GLU 25 -6.424 -6.407 -8.010 205 1HB GLU 25 1HB GLU 25 -5.895 -7.096 -5.063 206 2HB GLU 25 2HB GLU 25 -7.325 -7.623 -5.986 207 1HG GLU 25 1HG GLU 25 -4.491 -8.227 -6.832 208 2HG GLU 25 2HG GLU 25 -5.421 -9.302 -5.761 209 H ALA 26 H ALA 26 -5.460 -4.731 -5.054 210 HA ALA 26 HA ALA 26 -7.909 -3.436 -4.434 211 1HB ALA 26 1HB ALA 26 -5.819 -3.348 -3.061 212 2HB ALA 26 2HB ALA 26 -5.072 -2.344 -4.327 213 3HB ALA 26 3HB ALA 26 -6.456 -1.716 -3.395 214 H ASN 27 H ASN 27 -5.296 -2.605 -6.644 215 HA ASN 27 HA ASN 27 -6.248 -0.187 -7.805 216 1HB ASN 27 1HB ASN 27 -4.243 -2.305 -8.147 217 2HB ASN 27 2HB ASN 27 -4.870 -1.759 -9.696 218 1HD2 ASN 27 2HD2 ASN 27 -2.644 -1.142 -7.296 219 2HD2 ASN 27 1HD2 ASN 27 -2.168 0.517 -7.663 220 H ARG 28 H ARG 28 -6.446 -3.572 -8.636 221 HA ARG 28 HA ARG 28 -7.290 -3.607 -11.230 222 1HB ARG 28 1HB ARG 28 -7.131 -5.396 -8.902 223 2HB ARG 28 2HB ARG 28 -8.356 -5.858 -10.085 224 1HG ARG 28 1HG ARG 28 -6.512 -5.419 -11.872 225 2HG ARG 28 2HG ARG 28 -5.380 -5.576 -10.502 226 1HD ARG 28 1HD ARG 28 -5.898 -7.778 -11.693 227 2HD ARG 28 2HD ARG 28 -6.315 -7.787 -9.967 228 HE ARG 28 HE ARG 28 -8.515 -6.928 -11.654 229 1HH1 ARG 28 2HH1 ARG 28 -6.853 -9.693 -10.238 230 2HH1 ARG 28 1HH1 ARG 28 -8.205 -10.785 -10.397 231 1HH2 ARG 28 1HH2 ARG 28 -10.337 -8.287 -11.763 232 2HH2 ARG 28 2HH2 ARG 28 -10.249 -9.950 -11.251 233 H PHE 29 H PHE 29 -9.272 -1.807 -9.671 234 HA PHE 29 HA PHE 29 -11.626 -3.003 -10.979 235 1HB PHE 29 1HB PHE 29 -11.349 -2.187 -8.087 236 2HB PHE 29 2HB PHE 29 -12.905 -2.032 -8.927 237 HD1 PHE 29 HD1 PHE 29 -12.822 -4.420 -10.706 238 HD2 PHE 29 HD2 PHE 29 -11.736 -3.959 -6.567 239 HE1 PHE 29 HE1 PHE 29 -13.404 -6.797 -10.295 240 HE2 PHE 29 HE2 PHE 29 -12.340 -6.337 -6.148 241 HZ PHE 29 HZ PHE 29 -13.182 -7.751 -8.005 242 H THR 30 H THR 30 -11.377 -0.210 -8.826 243 HA THR 30 HA THR 30 -11.075 1.790 -10.914 244 HB THR 30 HB THR 30 -13.366 2.798 -10.207 245 HG1 THR 30 HG1 THR 30 -13.999 0.065 -9.741 246 1HG2 THR 30 1HG2 THR 30 -14.620 1.468 -11.918 247 2HG2 THR 30 2HG2 THR 30 -13.018 2.013 -12.469 248 3HG2 THR 30 3HG2 THR 30 -13.248 0.324 -11.970 249 H SER 31 H SER 31 -12.710 1.216 -7.905 250 HA SER 31 HA SER 31 -12.660 3.098 -6.232 251 1HB SER 31 1HB SER 31 -11.376 0.493 -5.439 252 2HB SER 31 2HB SER 31 -12.571 1.451 -4.528 253 HG SER 31 HG SER 31 -13.404 -0.437 -5.689 254 H ASP 32 H ASP 32 -11.610 4.391 -5.024 255 HA ASP 32 HA ASP 32 -8.694 4.652 -5.018 256 1HB ASP 32 1HB ASP 32 -10.339 6.544 -4.939 257 2HB ASP 32 2HB ASP 32 -10.928 5.887 -3.382 258 H VAL 33 H VAL 33 -7.986 2.731 -4.142 259 HA VAL 33 HA VAL 33 -9.343 1.692 -1.749 260 HB VAL 33 HB VAL 33 -8.169 -0.374 -2.171 261 1HG1 VAL 33 1HG2 VAL 33 -9.229 0.978 -4.698 262 2HG1 VAL 33 2HG2 VAL 33 -9.085 -0.778 -4.479 263 3HG1 VAL 33 3HG2 VAL 33 -10.217 0.163 -3.474 264 1HG2 VAL 33 1HG1 VAL 33 -6.005 0.627 -2.817 265 2HG2 VAL 33 2HG1 VAL 33 -6.557 -0.565 -4.030 266 3HG2 VAL 33 3HG1 VAL 33 -6.717 1.179 -4.355 267 H PHE 34 H PHE 34 -8.101 0.699 0.032 268 HA PHE 34 HA PHE 34 -5.641 2.172 0.696 269 1HB PHE 34 1HB PHE 34 -8.095 2.365 2.487 270 2HB PHE 34 2HB PHE 34 -6.478 2.994 2.793 271 HD1 PHE 34 HD1 PHE 34 -5.792 5.105 2.011 272 HD2 PHE 34 HD2 PHE 34 -9.433 3.364 0.526 273 HE1 PHE 34 HE1 PHE 34 -6.362 7.254 0.880 274 HE2 PHE 34 HE2 PHE 34 -9.938 5.450 -0.694 275 HZ PHE 34 HZ PHE 34 -8.429 7.413 -0.502 276 H LEU 35 H LEU 35 -4.847 1.577 2.878 277 HA LEU 35 HA LEU 35 -5.757 -1.000 3.953 278 1HB LEU 35 1HB LEU 35 -3.842 -1.507 2.391 279 2HB LEU 35 2HB LEU 35 -2.826 -0.384 3.329 280 HG LEU 35 HG LEU 35 -3.218 -1.734 5.364 281 1HD1 LEU 35 1HD2 LEU 35 -5.511 -2.490 4.761 282 2HD1 LEU 35 2HD2 LEU 35 -4.820 -3.532 3.494 283 3HD1 LEU 35 3HD2 LEU 35 -4.467 -3.864 5.206 284 1HD2 LEU 35 1HD1 LEU 35 -1.334 -2.351 3.868 285 2HD2 LEU 35 2HD1 LEU 35 -2.014 -3.780 4.686 286 3HD2 LEU 35 3HD1 LEU 35 -2.413 -3.460 2.982 287 H GLU 36 H GLU 36 -5.877 -0.717 6.148 288 HA GLU 36 HA GLU 36 -4.547 1.758 7.181 289 1HB GLU 36 1HB GLU 36 -7.023 0.884 8.500 290 2HB GLU 36 2HB GLU 36 -6.518 2.503 8.039 291 1HG GLU 36 1HG GLU 36 -7.241 2.116 5.738 292 2HG GLU 36 2HG GLU 36 -7.579 0.412 6.081 293 H LYS 37 H LYS 37 -2.941 1.110 8.477 294 HA LYS 37 HA LYS 37 -2.707 -1.448 9.790 295 1HB LYS 37 1HB LYS 37 -1.304 1.223 10.094 296 2HB LYS 37 2HB LYS 37 -0.810 -0.251 10.957 297 1HG LYS 37 1HG LYS 37 -1.148 -0.627 8.065 298 2HG LYS 37 2HG LYS 37 0.198 0.455 8.528 299 1HD LYS 37 1HD LYS 37 -0.279 -2.408 9.415 300 2HD LYS 37 2HD LYS 37 1.085 -1.789 8.454 301 1HE LYS 37 1HE LYS 37 0.424 -1.008 11.341 302 2HE LYS 37 2HE LYS 37 1.655 -2.195 10.871 303 1HZ LYS 37 1HZ LYS 37 1.642 0.647 10.093 304 2HZ LYS 37 2HZ LYS 37 2.569 -0.013 11.287 305 3HZ LYS 37 3HZ LYS 37 2.808 -0.469 9.721 306 H ASP 38 H ASP 38 -4.479 -1.889 11.111 307 HA ASP 38 HA ASP 38 -5.917 -1.719 12.837 308 1HB ASP 38 1HB ASP 38 -3.655 -0.175 14.129 309 2HB ASP 38 2HB ASP 38 -5.017 -0.929 14.980 310 H GLY 39 H GLY 39 -5.961 0.358 10.727 311 1HA GLY 39 1HA GLY 39 -7.805 2.085 10.882 312 2HA GLY 39 2HA GLY 39 -7.011 2.590 12.393 313 H LYS 40 H LYS 40 -4.250 2.123 11.011 314 HA LYS 40 HA LYS 40 -3.958 4.861 10.112 315 1HB LYS 40 1HB LYS 40 -2.029 2.511 10.056 316 2HB LYS 40 2HB LYS 40 -1.600 4.236 9.942 317 1HG LYS 40 1HG LYS 40 -2.859 2.781 12.299 318 2HG LYS 40 2HG LYS 40 -1.212 3.445 12.237 319 1HD LYS 40 1HD LYS 40 -2.067 5.730 12.083 320 2HD LYS 40 2HD LYS 40 -3.728 5.133 11.899 321 1HE LYS 40 1HE LYS 40 -3.348 5.903 14.189 322 2HE LYS 40 2HE LYS 40 -3.679 4.160 14.146 323 1HZ LYS 40 1HZ LYS 40 -1.003 5.376 14.319 324 2HZ LYS 40 2HZ LYS 40 -1.834 4.721 15.581 325 3HZ LYS 40 3HZ LYS 40 -1.340 3.761 14.339 326 H LYS 41 H LYS 41 -5.580 4.628 8.368 327 HA LYS 41 HA LYS 41 -4.850 2.858 6.226 328 1HB LYS 41 1HB LYS 41 -6.933 2.977 5.682 329 2HB LYS 41 2HB LYS 41 -7.229 4.026 7.064 330 1HG LYS 41 1HG LYS 41 -6.468 4.854 4.242 331 2HG LYS 41 2HG LYS 41 -8.137 4.771 4.793 332 1HD LYS 41 1HD LYS 41 -7.785 6.509 6.455 333 2HD LYS 41 2HD LYS 41 -6.018 6.415 6.262 334 1HE LYS 41 1HE LYS 41 -7.897 7.340 4.054 335 2HE LYS 41 2HE LYS 41 -7.031 8.420 5.171 336 1HZ LYS 41 1HZ LYS 41 -4.979 7.377 4.429 337 2HZ LYS 41 2HZ LYS 41 -5.812 6.533 3.293 338 3HZ LYS 41 3HZ LYS 41 -5.765 8.180 3.211 339 H VAL 42 H VAL 42 -4.460 3.225 4.158 340 HA VAL 42 HA VAL 42 -3.561 5.831 3.087 341 HB VAL 42 HB VAL 42 -1.294 4.868 2.641 342 1HG1 VAL 42 1HG2 VAL 42 -1.748 6.090 4.808 343 2HG1 VAL 42 2HG2 VAL 42 -2.092 4.512 5.554 344 3HG1 VAL 42 3HG2 VAL 42 -0.454 4.859 4.941 345 1HG2 VAL 42 1HG1 VAL 42 -2.138 2.489 2.597 346 2HG2 VAL 42 2HG1 VAL 42 -0.691 2.690 3.628 347 3HG2 VAL 42 3HG1 VAL 42 -2.314 2.552 4.363 348 H ASN 43 H ASN 43 -3.189 5.735 0.745 349 HA ASN 43 HA ASN 43 -4.910 4.139 -0.677 350 1HB ASN 43 1HB ASN 43 -3.176 6.227 -1.198 351 2HB ASN 43 2HB ASN 43 -2.390 4.865 -2.048 352 1HD2 ASN 43 2HD2 ASN 43 -5.581 6.289 -1.362 353 2HD2 ASN 43 1HD2 ASN 43 -6.260 6.040 -2.938 354 H ALA 44 H ALA 44 -4.972 2.140 -0.468 355 HA ALA 44 HA ALA 44 -2.980 0.245 0.033 356 1HB ALA 44 1HB ALA 44 -5.557 -0.096 -1.571 357 2HB ALA 44 2HB ALA 44 -4.609 -1.423 -0.861 358 3HB ALA 44 3HB ALA 44 -5.413 -0.245 0.196 359 H LYS 45 H LYS 45 -4.205 1.530 -2.993 360 HA LYS 45 HA LYS 45 -2.608 -0.311 -4.638 361 1HB LYS 45 1HB LYS 45 -3.584 1.068 -6.502 362 2HB LYS 45 2HB LYS 45 -4.759 0.195 -5.502 363 1HG LYS 45 1HG LYS 45 -5.436 2.207 -4.366 364 2HG LYS 45 2HG LYS 45 -4.036 3.108 -4.987 365 1HD LYS 45 1HD LYS 45 -5.925 3.732 -6.296 366 2HD LYS 45 2HD LYS 45 -4.854 2.736 -7.308 367 1HE LYS 45 1HE LYS 45 -6.298 0.720 -6.569 368 2HE LYS 45 2HE LYS 45 -7.517 1.918 -6.075 369 1HZ LYS 45 1HZ LYS 45 -6.352 1.689 -8.761 370 2HZ LYS 45 2HZ LYS 45 -7.837 1.134 -8.307 371 3HZ LYS 45 3HZ LYS 45 -7.533 2.749 -8.288 372 H SER 46 H SER 46 -2.007 2.600 -2.999 373 HA SER 46 HA SER 46 0.124 3.367 -4.902 374 1HB SER 46 1HB SER 46 -1.122 4.894 -2.583 375 2HB SER 46 2HB SER 46 0.187 5.493 -3.621 376 HG SER 46 HG SER 46 -2.464 4.838 -4.441 377 H ILE 47 H ILE 47 2.032 4.372 -3.749 378 HA ILE 47 HA ILE 47 3.584 2.494 -2.515 379 HB ILE 47 HB ILE 47 4.336 4.605 -3.577 380 1HG1 ILE 47 1HG1 ILE 47 5.634 3.070 -1.905 381 2HG1 ILE 47 2HG1 ILE 47 6.348 4.613 -2.368 382 1HG2 ILE 47 1HG2 ILE 47 2.718 6.141 -2.420 383 2HG2 ILE 47 2HG2 ILE 47 3.550 5.841 -0.895 384 3HG2 ILE 47 3HG2 ILE 47 4.398 6.698 -2.196 385 1HD1 ILE 47 1HD1 ILE 47 4.761 4.122 0.178 386 2HD1 ILE 47 2HD1 ILE 47 6.529 4.266 0.050 387 3HD1 ILE 47 3HD1 ILE 47 5.496 5.668 -0.315 388 H MET 48 H MET 48 1.888 5.174 -0.747 389 HA MET 48 HA MET 48 2.984 4.212 1.702 390 1HB MET 48 1HB MET 48 2.339 6.542 1.444 391 2HB MET 48 2HB MET 48 0.673 6.091 1.061 392 1HG MET 48 1HG MET 48 0.467 5.133 3.376 393 2HG MET 48 2HG MET 48 2.138 5.619 3.700 394 1HE MET 48 1HE MET 48 2.248 8.386 2.209 395 2HE MET 48 2HE MET 48 1.897 9.516 3.542 396 3HE MET 48 3HE MET 48 2.962 8.115 3.819 397 H GLY 49 H GLY 49 0.193 3.224 -0.147 398 1HA GLY 49 1HA GLY 49 -1.136 1.919 2.059 399 2HA GLY 49 2HA GLY 49 -1.420 1.639 0.311 400 H LEU 50 H LEU 50 0.862 0.685 -0.745 401 HA LEU 50 HA LEU 50 1.195 -1.872 0.439 402 1HB LEU 50 1HB LEU 50 1.622 -0.539 -1.954 403 2HB LEU 50 2HB LEU 50 3.267 -0.933 -1.400 404 HG LEU 50 HG LEU 50 2.031 -2.757 -2.824 405 1HD1 LEU 50 1HD2 LEU 50 3.249 -3.317 -0.108 406 2HD1 LEU 50 2HD2 LEU 50 3.123 -4.486 -1.455 407 3HD1 LEU 50 3HD2 LEU 50 4.148 -3.024 -1.619 408 1HD2 LEU 50 1HD1 LEU 50 -0.086 -2.675 -1.479 409 2HD2 LEU 50 2HD1 LEU 50 0.663 -4.290 -1.473 410 3HD2 LEU 50 3HD1 LEU 50 0.828 -3.223 -0.053 411 H MET 51 H MET 51 3.579 0.682 -0.216 412 HA MET 51 HA MET 51 5.726 -0.829 0.916 413 1HB MET 51 1HB MET 51 5.961 0.818 -1.016 414 2HB MET 51 2HB MET 51 5.620 2.124 0.133 415 1HG MET 51 1HG MET 51 7.582 0.567 1.394 416 2HG MET 51 2HG MET 51 8.086 0.618 -0.302 417 1HE MET 51 1HE MET 51 7.135 2.559 2.876 418 2HE MET 51 2HE MET 51 7.442 4.264 2.445 419 3HE MET 51 3HE MET 51 6.077 3.384 1.702 420 H SER 52 H SER 52 3.612 1.841 1.905 421 HA SER 52 HA SER 52 5.263 2.271 4.300 422 1HB SER 52 1HB SER 52 2.559 3.475 3.656 423 2HB SER 52 2HB SER 52 3.676 4.003 4.931 424 HG SER 52 HG SER 52 5.206 4.470 3.273 425 H LEU 53 H LEU 53 1.723 1.643 4.147 426 HA LEU 53 HA LEU 53 1.798 0.707 6.902 427 1HB LEU 53 1HB LEU 53 -0.354 0.968 4.848 428 2HB LEU 53 2HB LEU 53 -0.627 0.310 6.479 429 HG LEU 53 HG LEU 53 -1.103 2.640 6.610 430 1HD1 LEU 53 1HD1 LEU 53 1.644 2.087 7.776 431 2HD1 LEU 53 2HD1 LEU 53 0.575 3.429 8.250 432 3HD1 LEU 53 3HD1 LEU 53 0.071 1.751 8.546 433 1HD2 LEU 53 1HD2 LEU 53 0.172 3.326 4.579 434 2HD2 LEU 53 2HD2 LEU 53 0.491 4.392 5.979 435 3HD2 LEU 53 3HD2 LEU 53 1.683 3.153 5.506 436 H ALA 54 H ALA 54 0.736 -0.706 3.841 437 HA ALA 54 HA ALA 54 0.021 -3.257 4.517 438 1HB ALA 54 1HB ALA 54 -0.191 -2.011 2.293 439 2HB ALA 54 2HB ALA 54 1.491 -2.460 1.976 440 3HB ALA 54 3HB ALA 54 0.254 -3.722 2.156 441 H VAL 55 H VAL 55 3.295 -2.098 3.779 442 HA VAL 55 HA VAL 55 4.488 -4.629 3.875 443 HB VAL 55 HB VAL 55 5.429 -2.374 3.046 444 1HG1 VAL 55 1HG1 VAL 55 5.171 -1.148 5.195 445 2HG1 VAL 55 2HG1 VAL 55 6.331 -2.263 5.960 446 3HG1 VAL 55 3HG1 VAL 55 6.866 -1.173 4.655 447 1HG2 VAL 55 1HG2 VAL 55 6.672 -4.491 2.995 448 2HG2 VAL 55 2HG2 VAL 55 7.755 -3.133 3.401 449 3HG2 VAL 55 3HG2 VAL 55 7.188 -4.241 4.680 450 H SER 56 H SER 56 3.008 -3.228 6.551 451 HA SER 56 HA SER 56 4.982 -4.295 8.415 452 1HB SER 56 1HB SER 56 2.186 -3.304 9.052 453 2HB SER 56 2HB SER 56 3.581 -3.372 10.134 454 HG SER 56 HG SER 56 3.240 -1.709 7.834 455 H THR 57 H THR 57 4.699 -6.486 7.160 456 HA THR 57 HA THR 57 2.702 -8.261 7.372 457 HB THR 57 HB THR 57 5.357 -9.171 8.388 458 HG1 THR 57 HG1 THR 57 6.096 -8.897 6.132 459 1HG2 THR 57 1HG2 THR 57 3.598 -9.954 6.020 460 2HG2 THR 57 2HG2 THR 57 4.949 -10.907 6.679 461 3HG2 THR 57 3HG2 THR 57 3.460 -10.671 7.633 462 H GLY 58 H GLY 58 1.447 -9.133 8.905 463 1HA GLY 58 1HA GLY 58 1.006 -10.092 11.022 464 2HA GLY 58 2HA GLY 58 2.372 -9.189 11.705 465 H THR 59 H THR 59 0.962 -6.747 10.027 466 HA THR 59 HA THR 59 -0.437 -5.890 12.471 467 HB THR 59 HB THR 59 -0.149 -4.385 9.845 468 HG1 THR 59 HG1 THR 59 1.886 -4.979 10.710 469 1HG2 THR 59 1HG2 THR 59 -0.570 -3.455 12.715 470 2HG2 THR 59 2HG2 THR 59 -0.450 -2.410 11.283 471 3HG2 THR 59 3HG2 THR 59 -1.827 -3.524 11.461 472 H GLU 60 H GLU 60 -2.705 -5.614 12.677 473 HA GLU 60 HA GLU 60 -4.290 -6.762 10.505 474 1HB GLU 60 1HB GLU 60 -5.271 -5.415 13.040 475 2HB GLU 60 2HB GLU 60 -6.122 -6.609 12.008 476 1HG GLU 60 1HG GLU 60 -3.499 -7.229 13.416 477 2HG GLU 60 2HG GLU 60 -5.074 -7.549 14.154 478 H VAL 61 H VAL 61 -4.039 -5.430 8.811 479 HA VAL 61 HA VAL 61 -4.745 -2.554 9.155 480 HB VAL 61 HB VAL 61 -3.650 -2.256 6.912 481 1HG1 VAL 61 1HG1 VAL 61 -1.990 -3.650 9.064 482 2HG1 VAL 61 2HG1 VAL 61 -1.321 -2.690 7.719 483 3HG1 VAL 61 3HG1 VAL 61 -2.322 -1.904 8.961 484 1HG2 VAL 61 1HG2 VAL 61 -3.959 -4.613 6.156 485 2HG2 VAL 61 2HG2 VAL 61 -2.252 -4.075 6.074 486 3HG2 VAL 61 3HG2 VAL 61 -2.789 -5.126 7.412 487 H THR 62 H THR 62 -6.473 -1.729 8.156 488 HA THR 62 HA THR 62 -8.396 -3.695 7.190 489 HB THR 62 HB THR 62 -8.789 -0.691 7.405 490 HG1 THR 62 HG1 THR 62 -8.008 -1.437 9.399 491 1HG2 THR 62 1HG2 THR 62 -10.667 -3.075 7.763 492 2HG2 THR 62 2HG2 THR 62 -11.117 -1.357 7.869 493 3HG2 THR 62 3HG2 THR 62 -10.597 -2.039 6.316 494 H LEU 63 H LEU 63 -8.749 -4.204 5.120 495 HA LEU 63 HA LEU 63 -7.415 -2.698 3.014 496 1HB LEU 63 1HB LEU 63 -8.001 -5.355 3.446 497 2HB LEU 63 2HB LEU 63 -9.304 -4.869 2.336 498 HG LEU 63 HG LEU 63 -7.450 -5.609 1.020 499 1HD1 LEU 63 1HD2 LEU 63 -8.590 -3.509 0.255 500 2HD1 LEU 63 2HD2 LEU 63 -7.333 -2.559 1.085 501 3HD1 LEU 63 3HD2 LEU 63 -6.898 -3.609 -0.284 502 1HD2 LEU 63 1HD1 LEU 63 -5.782 -5.460 2.825 503 2HD2 LEU 63 2HD1 LEU 63 -5.173 -4.709 1.330 504 3HD2 LEU 63 3HD1 LEU 63 -5.764 -3.689 2.661 505 H ILE 64 H ILE 64 -8.345 -1.074 2.064 506 HA ILE 64 HA ILE 64 -11.295 -0.692 2.103 507 HB ILE 64 HB ILE 64 -8.991 1.266 1.697 508 1HG1 ILE 64 1HG1 ILE 64 -10.742 0.851 4.138 509 2HG1 ILE 64 2HG1 ILE 64 -8.983 0.569 4.038 510 1HG2 ILE 64 1HG2 ILE 64 -11.068 1.941 0.584 511 2HG2 ILE 64 2HG2 ILE 64 -11.965 1.722 2.104 512 3HG2 ILE 64 3HG2 ILE 64 -10.724 2.994 1.980 513 1HD1 ILE 64 1HD1 ILE 64 -10.423 3.222 3.545 514 2HD1 ILE 64 2HD1 ILE 64 -9.523 2.821 5.022 515 3HD1 ILE 64 3HD1 ILE 64 -8.667 2.989 3.467 516 H ALA 65 H ALA 65 -12.299 0.107 0.249 517 HA ALA 65 HA ALA 65 -10.771 0.909 -2.060 518 1HB ALA 65 1HB ALA 65 -12.907 -1.267 -2.320 519 2HB ALA 65 2HB ALA 65 -12.148 -0.404 -3.661 520 3HB ALA 65 3HB ALA 65 -11.175 -1.511 -2.665 521 H GLN 66 H GLN 66 -11.652 2.617 -2.821 522 HA GLN 66 HA GLN 66 -14.465 3.194 -2.056 523 1HB GLN 66 1HB GLN 66 -12.711 4.129 -0.503 524 2HB GLN 66 2HB GLN 66 -11.919 4.873 -1.911 525 1HG GLN 66 1HG GLN 66 -14.445 5.769 -2.237 526 2HG GLN 66 2HG GLN 66 -14.354 5.678 -0.455 527 1HE2 GLN 66 2HE2 GLN 66 -12.504 6.669 -3.329 528 2HE2 GLN 66 1HE2 GLN 66 -11.593 7.985 -2.574 529 H GLY 67 H GLY 67 -14.838 2.455 -4.251 530 1HA GLY 67 1HA GLY 67 -14.999 4.672 -6.074 531 2HA GLY 67 2HA GLY 67 -13.820 3.443 -6.596 532 H GLU 68 H GLU 68 -15.190 2.906 -8.391 533 HA GLU 68 HA GLU 68 -17.902 2.213 -8.286 534 1HB GLU 68 1HB GLU 68 -15.758 1.055 -10.086 535 2HB GLU 68 2HB GLU 68 -17.505 1.123 -10.422 536 1HG GLU 68 1HG GLU 68 -15.617 3.505 -10.116 537 2HG GLU 68 2HG GLU 68 -16.318 2.911 -11.634 538 H ASP 69 H ASP 69 -14.996 0.184 -7.485 539 HA ASP 69 HA ASP 69 -16.933 -2.025 -6.911 540 1HB ASP 69 1HB ASP 69 -13.977 -2.328 -7.380 541 2HB ASP 69 2HB ASP 69 -15.202 -3.589 -7.296 542 H GLU 70 H GLU 70 -16.876 0.017 -5.079 543 HA GLU 70 HA GLU 70 -14.774 0.280 -3.337 544 1HB GLU 70 1HB GLU 70 -16.931 1.545 -3.344 545 2HB GLU 70 2HB GLU 70 -17.748 0.091 -2.741 546 1HG GLU 70 1HG GLU 70 -15.741 0.367 -0.890 547 2HG GLU 70 2HG GLU 70 -16.095 2.061 -1.290 548 H GLN 71 H GLN 71 -17.543 -1.578 -2.135 549 HA GLN 71 HA GLN 71 -16.236 -3.240 -0.390 550 1HB GLN 71 1HB GLN 71 -18.768 -3.396 -1.967 551 2HB GLN 71 2HB GLN 71 -18.179 -4.910 -1.247 552 1HG GLN 71 1HG GLN 71 -18.585 -2.315 0.278 553 2HG GLN 71 2HG GLN 71 -19.665 -3.727 0.324 554 1HE2 GLN 71 2HE2 GLN 71 -17.148 -5.593 0.135 555 2HE2 GLN 71 1HE2 GLN 71 -16.553 -5.536 1.777 556 H GLU 72 H GLU 72 -16.774 -3.896 -3.844 557 HA GLU 72 HA GLU 72 -15.956 -6.593 -3.894 558 1HB GLU 72 1HB GLU 72 -17.188 -5.542 -5.716 559 2HB GLU 72 2HB GLU 72 -15.931 -4.297 -5.899 560 1HG GLU 72 1HG GLU 72 -15.670 -5.844 -7.688 561 2HG GLU 72 2HG GLU 72 -14.324 -6.083 -6.570 562 H ALA 73 H ALA 73 -14.138 -3.535 -4.347 563 HA ALA 73 HA ALA 73 -11.648 -4.798 -5.011 564 1HB ALA 73 1HB ALA 73 -12.577 -2.079 -4.045 565 2HB ALA 73 2HB ALA 73 -10.935 -2.359 -4.701 566 3HB ALA 73 3HB ALA 73 -12.403 -2.572 -5.713 567 H LEU 74 H LEU 74 -12.863 -3.101 -2.085 568 HA LEU 74 HA LEU 74 -10.571 -3.508 -0.503 569 1HB LEU 74 1HB LEU 74 -12.087 -2.940 1.389 570 2HB LEU 74 2HB LEU 74 -12.244 -1.884 -0.034 571 HG LEU 74 HG LEU 74 -14.130 -3.658 -0.681 572 1HD1 LEU 74 1HD2 LEU 74 -14.202 -3.405 2.351 573 2HD1 LEU 74 2HD2 LEU 74 -15.475 -4.107 1.318 574 3HD1 LEU 74 3HD2 LEU 74 -13.885 -4.906 1.427 575 1HD2 LEU 74 1HD1 LEU 74 -14.425 -1.214 1.105 576 2HD2 LEU 74 2HD1 LEU 74 -14.321 -1.229 -0.666 577 3HD2 LEU 74 3HD1 LEU 74 -15.724 -1.953 0.135 578 H GLU 75 H GLU 75 -13.479 -5.588 -0.773 579 HA GLU 75 HA GLU 75 -12.678 -7.419 1.227 580 1HB GLU 75 1HB GLU 75 -14.391 -8.899 0.280 581 2HB GLU 75 2HB GLU 75 -14.963 -7.231 0.456 582 1HG GLU 75 1HG GLU 75 -14.321 -6.895 -1.995 583 2HG GLU 75 2HG GLU 75 -14.216 -8.667 -2.107 584 H LYS 76 H LYS 76 -11.994 -7.501 -2.335 585 HA LYS 76 HA LYS 76 -10.872 -10.098 -2.427 586 1HB LYS 76 1HB LYS 76 -9.778 -7.608 -3.807 587 2HB LYS 76 2HB LYS 76 -9.508 -9.292 -4.268 588 1HG LYS 76 1HG LYS 76 -12.036 -9.430 -4.682 589 2HG LYS 76 2HG LYS 76 -12.033 -7.653 -4.550 590 1HD LYS 76 1HD LYS 76 -10.379 -9.401 -6.459 591 2HD LYS 76 2HD LYS 76 -11.709 -8.316 -6.919 592 1HE LYS 76 1HE LYS 76 -10.340 -6.375 -6.117 593 2HE LYS 76 2HE LYS 76 -9.011 -7.495 -5.747 594 1HZ LYS 76 1HZ LYS 76 -10.195 -7.063 -8.399 595 2HZ LYS 76 2HZ LYS 76 -8.802 -6.383 -7.849 596 3HZ LYS 76 3HZ LYS 76 -8.889 -8.023 -8.054 597 H LEU 77 H LEU 77 -9.400 -6.946 -1.797 598 HA LEU 77 HA LEU 77 -6.765 -7.989 -1.437 599 1HB LEU 77 1HB LEU 77 -8.026 -5.332 -0.773 600 2HB LEU 77 2HB LEU 77 -6.300 -5.701 -0.513 601 HG LEU 77 HG LEU 77 -6.442 -4.698 -2.717 602 1HD1 LEU 77 1HD2 LEU 77 -5.029 -6.778 -2.429 603 2HD1 LEU 77 2HD2 LEU 77 -6.419 -7.718 -3.048 604 3HD1 LEU 77 3HD2 LEU 77 -5.623 -6.521 -4.096 605 1HD2 LEU 77 1HD1 LEU 77 -8.876 -5.163 -3.127 606 2HD2 LEU 77 2HD1 LEU 77 -7.842 -5.663 -4.499 607 3HD2 LEU 77 3HD1 LEU 77 -8.467 -6.876 -3.357 608 H ALA 78 H ALA 78 -9.168 -6.904 1.090 609 HA ALA 78 HA ALA 78 -7.342 -7.602 3.192 610 1HB ALA 78 1HB ALA 78 -9.306 -6.172 3.599 611 2HB ALA 78 2HB ALA 78 -10.378 -7.562 3.303 612 3HB ALA 78 3HB ALA 78 -9.258 -7.562 4.685 613 H ALA 79 H ALA 79 -9.675 -9.526 1.300 614 HA ALA 79 HA ALA 79 -9.611 -11.923 2.839 615 1HB ALA 79 1HB ALA 79 -11.086 -11.448 0.840 616 2HB ALA 79 2HB ALA 79 -9.621 -11.530 -0.184 617 3HB ALA 79 3HB ALA 79 -10.181 -12.981 0.679 618 H TYR 80 H TYR 80 -7.697 -10.789 0.066 619 HA TYR 80 HA TYR 80 -5.943 -12.977 -0.121 620 1HB TYR 80 1HB TYR 80 -6.503 -11.312 -1.833 621 2HB TYR 80 2HB TYR 80 -5.637 -10.070 -0.925 622 HD1 TYR 80 HD1 TYR 80 -4.941 -13.537 -2.223 623 HD2 TYR 80 HD2 TYR 80 -3.438 -9.577 -1.457 624 HE1 TYR 80 HE1 TYR 80 -2.707 -14.234 -3.033 625 HE2 TYR 80 HE2 TYR 80 -1.189 -10.272 -2.263 626 HH TYR 80 HH TYR 80 -0.567 -13.576 -3.494 627 H VAL 81 H VAL 81 -5.059 -9.713 0.982 628 HA VAL 81 HA VAL 81 -2.438 -9.960 1.539 629 HB VAL 81 HB VAL 81 -2.735 -8.131 3.159 630 1HG1 VAL 81 1HG2 VAL 81 -2.874 -7.726 0.718 631 2HG1 VAL 81 2HG2 VAL 81 -4.634 -8.012 0.786 632 3HG1 VAL 81 3HG2 VAL 81 -3.929 -6.610 1.629 633 1HG2 VAL 81 1HG1 VAL 81 -4.702 -9.080 4.333 634 2HG2 VAL 81 2HG1 VAL 81 -5.043 -7.428 3.771 635 3HG2 VAL 81 3HG1 VAL 81 -5.696 -8.830 2.881 636 H GLN 82 H GLN 82 -4.908 -11.205 3.678 637 HA GLN 82 HA GLN 82 -3.086 -11.575 5.956 638 1HB GLN 82 1HB GLN 82 -5.257 -11.898 7.080 639 2HB GLN 82 2HB GLN 82 -5.401 -10.536 5.934 640 1HG GLN 82 1HG GLN 82 -6.493 -12.050 4.292 641 2HG GLN 82 2HG GLN 82 -5.947 -13.407 5.257 642 1HE2 GLN 82 2HE2 GLN 82 -8.501 -11.451 4.613 643 2HE2 GLN 82 1HE2 GLN 82 -9.606 -12.021 5.882 644 H GLU 83 H GLU 83 -4.442 -13.442 3.391 645 HA GLU 83 HA GLU 83 -5.573 -15.625 4.540 646 1HB GLU 83 1HB GLU 83 -5.737 -14.736 2.284 647 2HB GLU 83 2HB GLU 83 -4.156 -15.428 1.871 648 1HG GLU 83 1HG GLU 83 -5.050 -17.703 2.357 649 2HG GLU 83 2HG GLU 83 -6.637 -16.988 2.702 650 H GLU 84 H GLU 84 -2.049 -15.521 3.848 651 HA GLU 84 HA GLU 84 -1.923 -18.230 5.102 652 1HB GLU 84 1HB GLU 84 -0.301 -18.839 3.274 653 2HB GLU 84 2HB GLU 84 -1.924 -18.460 2.688 654 1HG GLU 84 1HG GLU 84 -1.041 -16.028 2.299 655 2HG GLU 84 2HG GLU 84 0.571 -16.753 2.444 656 H VAL 85 H VAL 85 1.015 -17.448 3.834 657 HA VAL 85 HA VAL 85 1.941 -15.374 5.715 658 HB VAL 85 HB VAL 85 3.277 -18.137 5.309 659 1HG1 VAL 85 1HG1 VAL 85 4.664 -15.649 6.533 660 2HG1 VAL 85 2HG1 VAL 85 5.315 -17.307 6.530 661 3HG1 VAL 85 3HG1 VAL 85 5.109 -16.456 5.010 662 1HG2 VAL 85 1HG2 VAL 85 1.781 -18.031 7.353 663 2HG2 VAL 85 2HG2 VAL 85 3.478 -18.272 7.781 664 3HG2 VAL 85 3HG2 VAL 85 2.733 -16.666 7.982 Start of MODEL 22 1 1H VAL 2 1H VAL 2 -16.646 6.565 -1.079 2 2H VAL 2 2H VAL 2 -16.447 6.324 -2.731 3 3H VAL 2 3H VAL 2 -17.778 7.180 -2.160 4 HA VAL 2 HA VAL 2 -18.629 5.252 -1.082 5 HB VAL 2 HB VAL 2 -19.098 3.920 -3.154 6 1HG1 VAL 2 1HG2 VAL 2 -20.396 5.922 -2.537 7 2HG1 VAL 2 2HG2 VAL 2 -19.245 6.948 -3.425 8 3HG1 VAL 2 3HG2 VAL 2 -20.254 5.774 -4.305 9 1HG2 VAL 2 1HG1 VAL 2 -16.905 4.191 -4.272 10 2HG2 VAL 2 2HG1 VAL 2 -18.243 4.731 -5.312 11 3HG2 VAL 2 3HG1 VAL 2 -17.227 5.930 -4.479 12 H GLN 3 H GLN 3 -17.306 4.260 0.489 13 HA GLN 3 HA GLN 3 -15.726 2.063 -0.637 14 1HB GLN 3 1HB GLN 3 -13.708 2.560 0.459 15 2HB GLN 3 2HB GLN 3 -14.236 4.020 -0.391 16 1HG GLN 3 1HG GLN 3 -14.327 3.506 2.604 17 2HG GLN 3 2HG GLN 3 -13.229 4.564 1.679 18 1HE2 GLN 3 2HE2 GLN 3 -16.678 4.178 2.650 19 2HE2 GLN 3 1HE2 GLN 3 -17.044 5.887 2.447 20 H GLN 4 H GLN 4 -14.931 0.561 0.831 21 HA GLN 4 HA GLN 4 -15.956 0.419 3.551 22 1HB GLN 4 1HB GLN 4 -17.770 -0.678 2.199 23 2HB GLN 4 2HB GLN 4 -16.542 -1.665 1.399 24 1HG GLN 4 1HG GLN 4 -15.915 -2.553 3.708 25 2HG GLN 4 2HG GLN 4 -17.430 -1.827 4.291 26 1HE2 GLN 4 2HE2 GLN 4 -19.297 -2.349 2.404 27 2HE2 GLN 4 1HE2 GLN 4 -19.348 -4.059 1.987 28 H LYS 5 H LYS 5 -14.676 -1.447 4.618 29 HA LYS 5 HA LYS 5 -12.416 -2.450 3.030 30 1HB LYS 5 1HB LYS 5 -10.975 -1.854 5.080 31 2HB LYS 5 2HB LYS 5 -11.400 -0.580 3.931 32 1HG LYS 5 1HG LYS 5 -11.620 0.307 6.145 33 2HG LYS 5 2HG LYS 5 -13.241 0.170 5.429 34 1HD LYS 5 1HD LYS 5 -13.628 -1.920 6.703 35 2HD LYS 5 2HD LYS 5 -11.980 -1.850 7.341 36 1HE LYS 5 1HE LYS 5 -14.075 0.319 7.777 37 2HE LYS 5 2HE LYS 5 -13.670 -0.944 8.956 38 1HZ LYS 5 1HZ LYS 5 -11.766 1.032 7.892 39 2HZ LYS 5 2HZ LYS 5 -12.504 1.120 9.363 40 3HZ LYS 5 3HZ LYS 5 -11.448 -0.099 9.038 41 H VAL 6 H VAL 6 -11.474 -4.263 3.889 42 HA VAL 6 HA VAL 6 -13.023 -5.594 6.078 43 HB VAL 6 HB VAL 6 -11.441 -6.861 3.803 44 1HG1 VAL 6 1HG1 VAL 6 -11.460 -8.204 5.880 45 2HG1 VAL 6 2HG1 VAL 6 -13.236 -8.098 5.930 46 3HG1 VAL 6 3HG1 VAL 6 -12.434 -8.974 4.606 47 1HG2 VAL 6 1HG2 VAL 6 -13.537 -5.818 3.009 48 2HG2 VAL 6 2HG2 VAL 6 -13.646 -7.595 2.946 49 3HG2 VAL 6 3HG2 VAL 6 -14.449 -6.697 4.258 50 H GLU 7 H GLU 7 -11.696 -5.958 7.954 51 HA GLU 7 HA GLU 7 -8.958 -5.064 7.437 52 1HB GLU 7 1HB GLU 7 -10.142 -4.253 9.450 53 2HB GLU 7 2HB GLU 7 -10.108 -5.890 10.152 54 1HG GLU 7 1HG GLU 7 -7.706 -5.826 10.287 55 2HG GLU 7 2HG GLU 7 -7.615 -4.448 9.169 56 H VAL 8 H VAL 8 -7.106 -6.111 7.974 57 HA VAL 8 HA VAL 8 -7.273 -9.081 7.999 58 HB VAL 8 HB VAL 8 -6.658 -9.233 5.842 59 1HG1 VAL 8 1HG2 VAL 8 -8.150 -7.293 5.523 60 2HG1 VAL 8 2HG2 VAL 8 -6.757 -6.201 5.704 61 3HG1 VAL 8 3HG2 VAL 8 -6.836 -7.331 4.326 62 1HG2 VAL 8 1HG1 VAL 8 -4.516 -7.143 6.363 63 2HG2 VAL 8 2HG1 VAL 8 -4.315 -8.910 6.454 64 3HG2 VAL 8 3HG1 VAL 8 -4.649 -8.135 4.891 65 H ARG 9 H ARG 9 -5.465 -10.079 9.024 66 HA ARG 9 HA ARG 9 -3.379 -8.167 9.955 67 1HB ARG 9 1HB ARG 9 -3.602 -9.992 11.512 68 2HB ARG 9 2HB ARG 9 -3.558 -11.187 10.166 69 1HG ARG 9 1HG ARG 9 -1.233 -9.804 9.760 70 2HG ARG 9 2HG ARG 9 -1.326 -9.827 11.534 71 1HD ARG 9 1HD ARG 9 -0.180 -11.853 10.577 72 2HD ARG 9 2HD ARG 9 -1.679 -12.296 11.426 73 HE ARG 9 HE ARG 9 -2.277 -11.857 8.666 74 1HH1 ARG 9 1HH2 ARG 9 -0.472 -14.054 10.739 75 2HH1 ARG 9 2HH2 ARG 9 -0.759 -15.472 9.766 76 1HH2 ARG 9 2HH1 ARG 9 -2.752 -13.793 7.361 77 2HH2 ARG 9 1HH1 ARG 9 -2.015 -15.287 7.802 78 H LEU 10 H LEU 10 -2.161 -7.445 8.529 79 HA LEU 10 HA LEU 10 -1.848 -8.005 5.860 80 1HB LEU 10 1HB LEU 10 -1.377 -5.984 7.216 81 2HB LEU 10 2HB LEU 10 0.057 -6.768 7.888 82 HG LEU 10 HG LEU 10 1.195 -6.670 5.769 83 1HD1 LEU 10 1HD2 LEU 10 -1.439 -5.614 4.636 84 2HD1 LEU 10 2HD2 LEU 10 0.112 -5.759 3.764 85 3HD1 LEU 10 3HD2 LEU 10 -0.748 -7.223 4.306 86 1HD2 LEU 10 1HD1 LEU 10 1.048 -4.669 7.217 87 2HD2 LEU 10 2HD1 LEU 10 1.157 -4.222 5.500 88 3HD2 LEU 10 3HD1 LEU 10 -0.413 -4.138 6.341 89 H LYS 11 H LYS 11 -1.616 -10.524 6.120 90 HA LYS 11 HA LYS 11 0.874 -11.589 7.034 91 1HB LYS 11 1HB LYS 11 -0.826 -13.145 6.955 92 2HB LYS 11 2HB LYS 11 -1.458 -12.590 5.396 93 1HG LYS 11 1HG LYS 11 1.236 -13.957 5.539 94 2HG LYS 11 2HG LYS 11 -0.308 -14.859 5.449 95 1HD LYS 11 1HD LYS 11 0.697 -12.837 3.405 96 2HD LYS 11 2HD LYS 11 0.395 -14.577 3.175 97 1HE LYS 11 1HE LYS 11 -1.999 -14.205 3.800 98 2HE LYS 11 2HE LYS 11 -1.650 -12.454 3.887 99 1HZ LYS 11 1HZ LYS 11 -1.335 -14.090 1.485 100 2HZ LYS 11 2HZ LYS 11 -2.606 -13.090 1.800 101 3HZ LYS 11 3HZ LYS 11 -1.102 -12.455 1.616 102 H THR 12 H THR 12 -0.305 -10.584 3.858 103 HA THR 12 HA THR 12 1.898 -11.339 2.266 104 HB THR 12 HB THR 12 0.466 -8.666 1.998 105 HG1 THR 12 HG1 THR 12 -1.053 -10.437 2.261 106 1HG2 THR 12 1HG2 THR 12 1.539 -10.629 -0.035 107 2HG2 THR 12 2HG2 THR 12 0.818 -9.042 -0.381 108 3HG2 THR 12 3HG2 THR 12 2.377 -9.156 0.485 109 H GLY 13 H GLY 13 1.335 -8.499 4.357 110 1HA GLY 13 1HA GLY 13 2.589 -6.689 4.952 111 2HA GLY 13 2HA GLY 13 3.925 -7.842 5.129 112 H LEU 14 H LEU 14 2.223 -7.117 2.218 113 HA LEU 14 HA LEU 14 2.996 -6.576 0.080 114 1HB LEU 14 1HB LEU 14 3.183 -4.319 1.971 115 2HB LEU 14 2HB LEU 14 3.518 -4.028 0.258 116 HG LEU 14 HG LEU 14 1.148 -3.547 0.797 117 1HD1 LEU 14 1HD2 LEU 14 1.749 -4.337 -1.466 118 2HD1 LEU 14 2HD2 LEU 14 1.424 -6.006 -0.945 119 3HD1 LEU 14 3HD2 LEU 14 0.103 -4.817 -0.992 120 1HD2 LEU 14 1HD1 LEU 14 0.839 -5.252 2.591 121 2HD2 LEU 14 2HD1 LEU 14 -0.425 -5.338 1.336 122 3HD2 LEU 14 3HD1 LEU 14 0.899 -6.526 1.349 123 H GLN 15 H GLN 15 4.856 -8.119 0.286 124 HA GLN 15 HA GLN 15 7.347 -6.630 0.892 125 1HB GLN 15 1HB GLN 15 6.942 -9.621 0.607 126 2HB GLN 15 2HB GLN 15 8.420 -8.798 1.179 127 1HG GLN 15 1HG GLN 15 7.058 -7.668 2.955 128 2HG GLN 15 2HG GLN 15 5.642 -8.581 2.420 129 1HE2 GLN 15 2HE2 GLN 15 5.175 -10.134 3.834 130 2HE2 GLN 15 1HE2 GLN 15 6.346 -11.156 4.673 131 H ALA 16 H ALA 16 6.587 -9.097 -1.677 132 HA ALA 16 HA ALA 16 7.928 -7.235 -3.544 133 1HB ALA 16 1HB ALA 16 9.766 -8.483 -2.510 134 2HB ALA 16 2HB ALA 16 8.996 -10.018 -2.986 135 3HB ALA 16 3HB ALA 16 9.591 -8.897 -4.233 136 H ARG 17 H ARG 17 5.749 -9.963 -3.041 137 HA ARG 17 HA ARG 17 5.467 -9.944 -6.010 138 1HB ARG 17 1HB ARG 17 5.016 -12.521 -4.526 139 2HB ARG 17 2HB ARG 17 5.398 -12.233 -6.231 140 1HG ARG 17 1HG ARG 17 7.422 -13.062 -5.404 141 2HG ARG 17 2HG ARG 17 7.671 -11.303 -5.267 142 1HD ARG 17 1HD ARG 17 6.848 -11.456 -2.874 143 2HD ARG 17 2HD ARG 17 6.729 -13.211 -3.066 144 HE ARG 17 HE ARG 17 9.258 -13.011 -3.678 145 1HH1 ARG 17 2HH1 ARG 17 7.488 -11.085 -1.291 146 2HH1 ARG 17 1HH1 ARG 17 8.871 -10.859 -0.248 147 1HH2 ARG 17 1HH2 ARG 17 11.068 -12.746 -2.295 148 2HH2 ARG 17 2HH2 ARG 17 10.929 -11.828 -0.819 149 HA PRO 18 HA PRO 18 1.130 -11.366 -4.533 150 1HB PRO 18 1HB PRO 18 0.615 -11.651 -1.884 151 2HB PRO 18 2HB PRO 18 1.332 -12.989 -2.849 152 1HG PRO 18 1HG PRO 18 2.846 -10.847 -1.294 153 2HG PRO 18 2HG PRO 18 2.976 -12.589 -1.036 154 1HD PRO 18 1HD PRO 18 4.731 -11.401 -2.649 155 2HD PRO 18 2HD PRO 18 3.928 -12.874 -3.290 156 H ALA 19 H ALA 19 2.925 -9.313 -2.146 157 HA ALA 19 HA ALA 19 1.026 -7.392 -1.597 158 1HB ALA 19 1HB ALA 19 3.399 -7.606 -0.818 159 2HB ALA 19 2HB ALA 19 3.909 -7.023 -2.432 160 3HB ALA 19 3HB ALA 19 2.968 -5.947 -1.353 161 H ALA 20 H ALA 20 3.198 -7.585 -4.428 162 HA ALA 20 HA ALA 20 2.449 -5.032 -5.579 163 1HB ALA 20 1HB ALA 20 3.690 -7.530 -6.813 164 2HB ALA 20 2HB ALA 20 3.617 -5.923 -7.576 165 3HB ALA 20 3HB ALA 20 4.590 -6.165 -6.105 166 H LEU 21 H LEU 21 1.568 -8.425 -5.999 167 HA LEU 21 HA LEU 21 -0.372 -8.095 -8.067 168 1HB LEU 21 1HB LEU 21 0.646 -10.228 -7.327 169 2HB LEU 21 2HB LEU 21 -0.326 -10.174 -5.845 170 HG LEU 21 HG LEU 21 -1.545 -10.092 -8.636 171 1HD1 LEU 21 1HD1 LEU 21 -0.999 -12.486 -6.832 172 2HD1 LEU 21 2HD1 LEU 21 -1.931 -12.521 -8.349 173 3HD1 LEU 21 3HD1 LEU 21 -0.192 -12.139 -8.382 174 1HD2 LEU 21 1HD2 LEU 21 -2.636 -10.884 -5.895 175 2HD2 LEU 21 2HD2 LEU 21 -3.023 -9.381 -6.773 176 3HD2 LEU 21 3HD2 LEU 21 -3.540 -10.952 -7.428 177 H PHE 22 H PHE 22 -0.570 -7.755 -4.557 178 HA PHE 22 HA PHE 22 -3.383 -7.531 -4.168 179 1HB PHE 22 1HB PHE 22 -1.871 -7.982 -2.328 180 2HB PHE 22 2HB PHE 22 -0.887 -6.575 -2.753 181 HD1 PHE 22 HD1 PHE 22 -4.263 -5.480 -2.896 182 HD2 PHE 22 HD2 PHE 22 -1.078 -6.464 -0.165 183 HE1 PHE 22 HE1 PHE 22 -5.049 -3.724 -1.348 184 HE2 PHE 22 HE2 PHE 22 -1.936 -4.768 1.436 185 HZ PHE 22 HZ PHE 22 -3.894 -3.361 0.826 186 H VAL 23 H VAL 23 -0.797 -5.032 -4.293 187 HA VAL 23 HA VAL 23 -2.432 -2.747 -4.452 188 HB VAL 23 HB VAL 23 0.302 -3.516 -5.468 189 1HG1 VAL 23 1HG2 VAL 23 -1.030 -0.832 -5.994 190 2HG1 VAL 23 2HG2 VAL 23 0.686 -1.212 -6.252 191 3HG1 VAL 23 3HG2 VAL 23 -0.560 -2.026 -7.226 192 1HG2 VAL 23 1HG1 VAL 23 -0.054 -2.937 -3.090 193 2HG2 VAL 23 2HG1 VAL 23 0.949 -1.713 -3.897 194 3HG2 VAL 23 3HG1 VAL 23 -0.765 -1.374 -3.570 195 H GLN 24 H GLN 24 -1.222 -4.845 -7.101 196 HA GLN 24 HA GLN 24 -2.462 -3.536 -9.235 197 1HB GLN 24 1HB GLN 24 -0.669 -5.102 -9.402 198 2HB GLN 24 2HB GLN 24 -1.658 -6.420 -8.744 199 1HG GLN 24 1HG GLN 24 -2.544 -4.944 -11.210 200 2HG GLN 24 2HG GLN 24 -1.281 -6.184 -11.343 201 1HE2 GLN 24 2HE2 GLN 24 -2.727 -7.620 -8.892 202 2HE2 GLN 24 1HE2 GLN 24 -3.935 -8.530 -9.778 203 H GLU 25 H GLU 25 -3.830 -6.129 -7.126 204 HA GLU 25 HA GLU 25 -6.254 -6.387 -8.672 205 1HB GLU 25 1HB GLU 25 -5.642 -7.013 -5.737 206 2HB GLU 25 2HB GLU 25 -7.039 -7.648 -6.641 207 1HG GLU 25 1HG GLU 25 -4.201 -8.141 -7.517 208 2HG GLU 25 2HG GLU 25 -5.019 -9.186 -6.335 209 H ALA 26 H ALA 26 -5.518 -4.795 -5.589 210 HA ALA 26 HA ALA 26 -8.071 -3.618 -5.094 211 1HB ALA 26 1HB ALA 26 -6.150 -3.620 -3.504 212 2HB ALA 26 2HB ALA 26 -5.283 -2.513 -4.600 213 3HB ALA 26 3HB ALA 26 -6.766 -1.970 -3.780 214 H ASN 27 H ASN 27 -5.260 -2.582 -6.966 215 HA ASN 27 HA ASN 27 -6.101 -0.104 -7.994 216 1HB ASN 27 1HB ASN 27 -4.150 -2.238 -8.444 217 2HB ASN 27 2HB ASN 27 -4.755 -1.657 -9.986 218 1HD2 ASN 27 2HD2 ASN 27 -2.436 -1.215 -7.715 219 2HD2 ASN 27 1HD2 ASN 27 -1.900 0.426 -8.093 220 H ARG 28 H ARG 28 -6.444 -3.413 -9.092 221 HA ARG 28 HA ARG 28 -7.317 -2.945 -11.713 222 1HB ARG 28 1HB ARG 28 -6.570 -5.051 -9.974 223 2HB ARG 28 2HB ARG 28 -8.008 -5.572 -10.857 224 1HG ARG 28 1HG ARG 28 -5.591 -4.197 -12.129 225 2HG ARG 28 2HG ARG 28 -5.672 -5.955 -11.948 226 1HD ARG 28 1HD ARG 28 -6.373 -5.224 -14.234 227 2HD ARG 28 2HD ARG 28 -7.663 -6.059 -13.358 228 HE ARG 28 HE ARG 28 -8.913 -4.143 -13.265 229 1HH1 ARG 28 1HH2 ARG 28 -5.644 -3.310 -14.279 230 2HH1 ARG 28 2HH2 ARG 28 -5.989 -1.620 -14.538 231 1HH2 ARG 28 2HH1 ARG 28 -9.407 -1.949 -13.604 232 2HH2 ARG 28 1HH1 ARG 28 -8.185 -0.829 -14.133 233 H PHE 29 H PHE 29 -9.162 -1.618 -9.731 234 HA PHE 29 HA PHE 29 -11.591 -2.646 -11.060 235 1HB PHE 29 1HB PHE 29 -11.209 -1.924 -8.140 236 2HB PHE 29 2HB PHE 29 -12.795 -1.886 -8.942 237 HD1 PHE 29 HD1 PHE 29 -12.625 -4.209 -10.753 238 HD2 PHE 29 HD2 PHE 29 -11.247 -3.783 -6.699 239 HE1 PHE 29 HE1 PHE 29 -12.882 -6.652 -10.417 240 HE2 PHE 29 HE2 PHE 29 -11.614 -6.223 -6.328 241 HZ PHE 29 HZ PHE 29 -12.416 -7.654 -8.188 242 H THR 30 H THR 30 -11.381 0.021 -8.774 243 HA THR 30 HA THR 30 -10.972 2.111 -10.750 244 HB THR 30 HB THR 30 -13.284 3.108 -10.186 245 HG1 THR 30 HG1 THR 30 -13.949 0.378 -9.733 246 1HG2 THR 30 1HG2 THR 30 -14.442 1.802 -11.961 247 2HG2 THR 30 2HG2 THR 30 -12.788 2.271 -12.413 248 3HG2 THR 30 3HG2 THR 30 -13.118 0.605 -11.904 249 H SER 31 H SER 31 -12.654 1.369 -7.773 250 HA SER 31 HA SER 31 -12.617 3.231 -6.026 251 1HB SER 31 1HB SER 31 -11.307 0.623 -5.299 252 2HB SER 31 2HB SER 31 -12.562 1.517 -4.407 253 HG SER 31 HG SER 31 -13.278 -0.395 -5.636 254 H ASP 32 H ASP 32 -11.455 4.526 -4.765 255 HA ASP 32 HA ASP 32 -8.510 4.502 -4.923 256 1HB ASP 32 1HB ASP 32 -9.800 6.622 -4.816 257 2HB ASP 32 2HB ASP 32 -10.489 6.076 -3.260 258 H VAL 33 H VAL 33 -8.319 2.387 -4.199 259 HA VAL 33 HA VAL 33 -9.500 1.472 -1.749 260 HB VAL 33 HB VAL 33 -8.285 -0.568 -2.144 261 1HG1 VAL 33 1HG2 VAL 33 -9.068 0.869 -4.729 262 2HG1 VAL 33 2HG2 VAL 33 -8.887 -0.894 -4.582 263 3HG1 VAL 33 3HG2 VAL 33 -10.160 -0.036 -3.674 264 1HG2 VAL 33 1HG1 VAL 33 -6.613 1.151 -4.026 265 2HG2 VAL 33 2HG1 VAL 33 -6.086 0.480 -2.469 266 3HG2 VAL 33 3HG1 VAL 33 -6.437 -0.614 -3.831 267 H PHE 34 H PHE 34 -8.219 0.520 0.066 268 HA PHE 34 HA PHE 34 -5.854 2.130 0.729 269 1HB PHE 34 1HB PHE 34 -8.347 2.178 2.483 270 2HB PHE 34 2HB PHE 34 -6.806 2.985 2.808 271 HD1 PHE 34 HD1 PHE 34 -6.023 4.652 0.856 272 HD2 PHE 34 HD2 PHE 34 -10.085 3.446 1.616 273 HE1 PHE 34 HE1 PHE 34 -6.850 6.768 -0.177 274 HE2 PHE 34 HE2 PHE 34 -10.901 5.511 0.505 275 HZ PHE 34 HZ PHE 34 -9.287 7.228 -0.265 276 H LEU 35 H LEU 35 -5.092 1.646 2.991 277 HA LEU 35 HA LEU 35 -5.924 -0.944 4.097 278 1HB LEU 35 1HB LEU 35 -4.129 -1.373 2.329 279 2HB LEU 35 2HB LEU 35 -3.008 -0.449 3.359 280 HG LEU 35 HG LEU 35 -3.472 -2.035 5.226 281 1HD1 LEU 35 1HD2 LEU 35 -5.170 -3.463 3.128 282 2HD1 LEU 35 2HD2 LEU 35 -4.799 -4.079 4.756 283 3HD1 LEU 35 3HD2 LEU 35 -5.791 -2.615 4.563 284 1HD2 LEU 35 1HD1 LEU 35 -1.615 -2.495 3.653 285 2HD2 LEU 35 2HD1 LEU 35 -2.356 -4.009 4.228 286 3HD2 LEU 35 3HD1 LEU 35 -2.731 -3.397 2.599 287 H GLU 36 H GLU 36 -6.213 -0.449 6.131 288 HA GLU 36 HA GLU 36 -4.956 1.970 7.319 289 1HB GLU 36 1HB GLU 36 -7.348 0.406 8.300 290 2HB GLU 36 2HB GLU 36 -6.965 2.119 8.584 291 1HG GLU 36 1HG GLU 36 -7.423 2.619 6.249 292 2HG GLU 36 2HG GLU 36 -7.653 0.896 5.901 293 H LYS 37 H LYS 37 -2.969 0.932 8.316 294 HA LYS 37 HA LYS 37 -2.899 -1.547 9.688 295 1HB LYS 37 1HB LYS 37 -1.358 1.058 9.681 296 2HB LYS 37 2HB LYS 37 -0.880 -0.309 10.686 297 1HG LYS 37 1HG LYS 37 -0.580 -1.737 8.734 298 2HG LYS 37 2HG LYS 37 -1.199 -0.467 7.655 299 1HD LYS 37 1HD LYS 37 1.339 -0.603 7.739 300 2HD LYS 37 2HD LYS 37 0.685 0.986 8.224 301 1HE LYS 37 1HE LYS 37 0.818 0.315 10.608 302 2HE LYS 37 2HE LYS 37 1.510 -1.252 10.129 303 1HZ LYS 37 1HZ LYS 37 2.729 1.360 9.551 304 2HZ LYS 37 2HZ LYS 37 3.177 0.347 10.773 305 3HZ LYS 37 3HZ LYS 37 3.354 -0.134 9.207 306 H ASP 38 H ASP 38 -4.728 -1.672 11.094 307 HA ASP 38 HA ASP 38 -6.030 -1.242 12.901 308 1HB ASP 38 1HB ASP 38 -3.405 -0.230 14.021 309 2HB ASP 38 2HB ASP 38 -4.849 -0.601 14.984 310 H GLY 39 H GLY 39 -5.824 0.761 10.779 311 1HA GLY 39 1HA GLY 39 -7.235 2.855 11.028 312 2HA GLY 39 2HA GLY 39 -6.202 3.197 12.437 313 H LYS 40 H LYS 40 -3.701 2.210 10.953 314 HA LYS 40 HA LYS 40 -3.012 4.791 9.838 315 1HB LYS 40 1HB LYS 40 -1.436 2.229 9.620 316 2HB LYS 40 2HB LYS 40 -0.818 3.886 9.624 317 1HG LYS 40 1HG LYS 40 -1.872 2.261 11.974 318 2HG LYS 40 2HG LYS 40 -0.216 2.804 11.672 319 1HD LYS 40 1HD LYS 40 -0.861 4.360 13.238 320 2HD LYS 40 2HD LYS 40 -1.292 5.230 11.750 321 1HE LYS 40 1HE LYS 40 -3.127 5.297 13.441 322 2HE LYS 40 2HE LYS 40 -3.619 4.413 11.980 323 1HZ LYS 40 1HZ LYS 40 -3.094 2.366 13.139 324 2HZ LYS 40 2HZ LYS 40 -2.709 3.206 14.502 325 3HZ LYS 40 3HZ LYS 40 -4.256 3.208 13.931 326 H LYS 41 H LYS 41 -4.781 4.650 8.202 327 HA LYS 41 HA LYS 41 -4.459 2.710 6.053 328 1HB LYS 41 1HB LYS 41 -6.604 3.310 6.911 329 2HB LYS 41 2HB LYS 41 -6.326 5.001 6.527 330 1HG LYS 41 1HG LYS 41 -6.446 2.839 4.441 331 2HG LYS 41 2HG LYS 41 -7.872 3.764 4.955 332 1HD LYS 41 1HD LYS 41 -5.377 4.828 3.586 333 2HD LYS 41 2HD LYS 41 -7.044 4.852 2.938 334 1HE LYS 41 1HE LYS 41 -7.735 6.481 4.485 335 2HE LYS 41 2HE LYS 41 -6.492 5.918 5.632 336 1HZ LYS 41 1HZ LYS 41 -4.836 6.975 4.328 337 2HZ LYS 41 2HZ LYS 41 -5.931 7.452 3.179 338 3HZ LYS 41 3HZ LYS 41 -5.983 8.098 4.697 339 H VAL 42 H VAL 42 -3.800 2.947 4.085 340 HA VAL 42 HA VAL 42 -3.265 5.597 2.868 341 HB VAL 42 HB VAL 42 -1.195 4.414 1.811 342 1HG1 VAL 42 1HG1 VAL 42 -1.165 5.145 4.760 343 2HG1 VAL 42 2HG1 VAL 42 0.261 5.056 3.698 344 3HG1 VAL 42 3HG1 VAL 42 -1.003 6.273 3.395 345 1HG2 VAL 42 1HG2 VAL 42 -1.663 2.672 4.265 346 2HG2 VAL 42 2HG2 VAL 42 -1.788 2.145 2.573 347 3HG2 VAL 42 3HG2 VAL 42 -0.203 2.624 3.243 348 H ASN 43 H ASN 43 -2.880 5.391 0.514 349 HA ASN 43 HA ASN 43 -5.064 3.925 -0.675 350 1HB ASN 43 1HB ASN 43 -4.349 6.007 -1.683 351 2HB ASN 43 2HB ASN 43 -2.683 5.403 -1.830 352 1HD2 ASN 43 2HD2 ASN 43 -5.861 3.826 -2.664 353 2HD2 ASN 43 1HD2 ASN 43 -5.424 3.615 -4.349 354 H ALA 44 H ALA 44 -5.104 1.997 -0.606 355 HA ALA 44 HA ALA 44 -3.039 0.075 -0.489 356 1HB ALA 44 1HB ALA 44 -5.959 -0.165 -1.253 357 2HB ALA 44 2HB ALA 44 -4.910 -1.538 -0.837 358 3HB ALA 44 3HB ALA 44 -5.282 -0.290 0.393 359 H LYS 45 H LYS 45 -2.078 1.210 -2.544 360 HA LYS 45 HA LYS 45 -1.771 -0.591 -4.650 361 1HB LYS 45 1HB LYS 45 -3.009 0.436 -6.491 362 2HB LYS 45 2HB LYS 45 -4.110 -0.156 -5.231 363 1HG LYS 45 1HG LYS 45 -4.404 2.111 -4.375 364 2HG LYS 45 2HG LYS 45 -3.215 2.748 -5.527 365 1HD LYS 45 1HD LYS 45 -5.509 3.126 -6.390 366 2HD LYS 45 2HD LYS 45 -4.618 2.002 -7.434 367 1HE LYS 45 1HE LYS 45 -5.689 0.086 -6.397 368 2HE LYS 45 2HE LYS 45 -6.510 1.113 -5.211 369 1HZ LYS 45 1HZ LYS 45 -6.943 1.344 -8.107 370 2HZ LYS 45 2HZ LYS 45 -7.868 0.425 -7.094 371 3HZ LYS 45 3HZ LYS 45 -7.814 2.055 -6.895 372 H SER 46 H SER 46 -1.703 2.686 -3.337 373 HA SER 46 HA SER 46 0.272 3.522 -5.340 374 1HB SER 46 1HB SER 46 -1.397 5.071 -4.245 375 2HB SER 46 2HB SER 46 -0.483 4.873 -2.728 376 HG SER 46 HG SER 46 0.177 6.714 -4.054 377 H ILE 47 H ILE 47 2.387 4.025 -4.811 378 HA ILE 47 HA ILE 47 4.081 2.198 -3.786 379 HB ILE 47 HB ILE 47 4.832 4.034 -5.050 380 1HG1 ILE 47 1HG1 ILE 47 6.401 3.018 -3.254 381 2HG1 ILE 47 2HG1 ILE 47 6.879 4.527 -4.066 382 1HG2 ILE 47 1HG2 ILE 47 3.260 5.747 -4.241 383 2HG2 ILE 47 2HG2 ILE 47 4.206 5.887 -2.738 384 3HG2 ILE 47 3HG2 ILE 47 4.939 6.342 -4.294 385 1HD1 ILE 47 1HD1 ILE 47 6.036 5.855 -2.172 386 2HD1 ILE 47 2HD1 ILE 47 5.581 4.364 -1.321 387 3HD1 ILE 47 3HD1 ILE 47 7.292 4.707 -1.657 388 H MET 48 H MET 48 3.132 5.036 -1.780 389 HA MET 48 HA MET 48 4.379 3.913 0.546 390 1HB MET 48 1HB MET 48 3.717 5.804 1.669 391 2HB MET 48 2HB MET 48 3.845 6.387 -0.001 392 1HG MET 48 1HG MET 48 1.304 5.454 1.363 393 2HG MET 48 2HG MET 48 1.791 7.153 1.250 394 1HE MET 48 1HE MET 48 -0.993 6.000 0.514 395 2HE MET 48 2HE MET 48 -1.267 5.513 -1.181 396 3HE MET 48 3HE MET 48 -0.324 4.462 -0.092 397 H GLY 49 H GLY 49 1.285 3.364 -0.916 398 1HA GLY 49 1HA GLY 49 -0.126 2.524 1.481 399 2HA GLY 49 2HA GLY 49 -0.612 2.255 -0.215 400 H LEU 50 H LEU 50 1.424 0.884 -1.351 401 HA LEU 50 HA LEU 50 1.200 -1.746 -0.247 402 1HB LEU 50 1HB LEU 50 1.374 -0.909 -2.687 403 2HB LEU 50 2HB LEU 50 3.102 -0.684 -2.369 404 HG LEU 50 HG LEU 50 1.546 -3.296 -2.288 405 1HD1 LEU 50 1HD1 LEU 50 2.039 -2.366 -4.530 406 2HD1 LEU 50 2HD1 LEU 50 3.758 -2.229 -4.092 407 3HD1 LEU 50 3HD1 LEU 50 2.996 -3.835 -4.221 408 1HD2 LEU 50 1HD2 LEU 50 3.337 -3.278 -0.590 409 2HD2 LEU 50 2HD2 LEU 50 3.713 -4.387 -1.930 410 3HD2 LEU 50 3HD2 LEU 50 4.513 -2.793 -1.836 411 H MET 51 H MET 51 4.067 0.265 -1.025 412 HA MET 51 HA MET 51 5.875 -1.489 0.314 413 1HB MET 51 1HB MET 51 6.459 -0.201 -1.670 414 2HB MET 51 2HB MET 51 6.141 1.327 -0.830 415 1HG MET 51 1HG MET 51 8.154 -0.583 0.335 416 2HG MET 51 2HG MET 51 8.596 0.371 -1.085 417 1HE MET 51 1HE MET 51 7.119 3.038 -0.744 418 2HE MET 51 2HE MET 51 8.342 4.027 0.097 419 3HE MET 51 3HE MET 51 8.836 2.919 -1.207 420 H SER 52 H SER 52 4.378 1.688 1.266 421 HA SER 52 HA SER 52 6.173 1.696 3.549 422 1HB SER 52 1HB SER 52 3.816 3.517 2.990 423 2HB SER 52 2HB SER 52 5.180 3.822 4.099 424 HG SER 52 HG SER 52 6.441 3.353 1.998 425 H LEU 53 H LEU 53 2.548 1.878 3.530 426 HA LEU 53 HA LEU 53 2.639 0.912 6.275 427 1HB LEU 53 1HB LEU 53 0.381 1.630 4.388 428 2HB LEU 53 2HB LEU 53 0.134 1.077 6.058 429 HG LEU 53 HG LEU 53 1.575 2.921 6.898 430 1HD1 LEU 53 1HD2 LEU 53 1.417 3.915 4.014 431 2HD1 LEU 53 2HD2 LEU 53 2.018 4.854 5.404 432 3HD1 LEU 53 3HD2 LEU 53 2.898 3.406 4.857 433 1HD2 LEU 53 1HD1 LEU 53 -0.884 3.061 6.763 434 2HD2 LEU 53 2HD1 LEU 53 -0.128 4.662 6.481 435 3HD2 LEU 53 3HD1 LEU 53 -0.739 3.702 5.107 436 H ALA 54 H ALA 54 1.235 -0.396 3.244 437 HA ALA 54 HA ALA 54 0.254 -2.793 4.318 438 1HB ALA 54 1HB ALA 54 -0.362 -1.799 2.131 439 2HB ALA 54 2HB ALA 54 1.251 -2.206 1.515 440 3HB ALA 54 3HB ALA 54 0.129 -3.504 1.978 441 H VAL 55 H VAL 55 3.590 -1.931 3.675 442 HA VAL 55 HA VAL 55 4.526 -4.623 3.471 443 HB VAL 55 HB VAL 55 5.713 -2.430 2.834 444 1HG1 VAL 55 1HG1 VAL 55 6.462 -2.593 5.788 445 2HG1 VAL 55 2HG1 VAL 55 7.202 -1.513 4.580 446 3HG1 VAL 55 3HG1 VAL 55 5.496 -1.303 5.029 447 1HG2 VAL 55 1HG2 VAL 55 7.172 -4.585 4.406 448 2HG2 VAL 55 2HG2 VAL 55 6.732 -4.651 2.682 449 3HG2 VAL 55 3HG2 VAL 55 7.924 -3.454 3.250 450 H SER 56 H SER 56 3.050 -3.099 6.130 451 HA SER 56 HA SER 56 4.796 -4.270 8.104 452 1HB SER 56 1HB SER 56 2.003 -3.122 8.475 453 2HB SER 56 2HB SER 56 3.241 -3.327 9.724 454 HG SER 56 HG SER 56 3.315 -1.614 7.441 455 H THR 57 H THR 57 4.556 -6.457 6.899 456 HA THR 57 HA THR 57 2.574 -8.232 7.109 457 HB THR 57 HB THR 57 5.303 -8.895 8.217 458 HG1 THR 57 HG1 THR 57 5.876 -9.011 5.919 459 1HG2 THR 57 1HG2 THR 57 3.354 -10.280 6.312 460 2HG2 THR 57 2HG2 THR 57 4.901 -10.956 6.881 461 3HG2 THR 57 3HG2 THR 57 3.577 -10.666 8.033 462 H GLY 58 H GLY 58 1.168 -8.804 8.617 463 1HA GLY 58 1HA GLY 58 0.640 -9.876 10.708 464 2HA GLY 58 2HA GLY 58 2.061 -9.101 11.434 465 H THR 59 H THR 59 0.728 -6.565 9.747 466 HA THR 59 HA THR 59 -0.475 -5.660 12.272 467 HB THR 59 HB THR 59 -0.290 -4.076 9.673 468 HG1 THR 59 HG1 THR 59 1.772 -4.884 10.321 469 1HG2 THR 59 1HG2 THR 59 -0.297 -3.239 12.603 470 2HG2 THR 59 2HG2 THR 59 -0.257 -2.149 11.198 471 3HG2 THR 59 3HG2 THR 59 -1.698 -3.146 11.512 472 H GLU 60 H GLU 60 -2.679 -5.417 12.642 473 HA GLU 60 HA GLU 60 -4.443 -6.580 10.621 474 1HB GLU 60 1HB GLU 60 -5.195 -5.225 13.240 475 2HB GLU 60 2HB GLU 60 -6.191 -6.319 12.245 476 1HG GLU 60 1HG GLU 60 -4.582 -8.153 12.608 477 2HG GLU 60 2HG GLU 60 -3.581 -7.086 13.615 478 H VAL 61 H VAL 61 -4.274 -5.284 8.895 479 HA VAL 61 HA VAL 61 -4.995 -2.418 9.236 480 HB VAL 61 HB VAL 61 -3.754 -2.034 7.167 481 1HG1 VAL 61 1HG1 VAL 61 -2.276 -3.997 8.986 482 2HG1 VAL 61 2HG1 VAL 61 -1.507 -2.820 7.891 483 3HG1 VAL 61 3HG1 VAL 61 -2.432 -2.257 9.302 484 1HG2 VAL 61 1HG2 VAL 61 -3.264 -5.035 7.244 485 2HG2 VAL 61 2HG2 VAL 61 -4.295 -4.194 6.046 486 3HG2 VAL 61 3HG2 VAL 61 -2.530 -3.882 6.099 487 H THR 62 H THR 62 -6.782 -1.588 8.292 488 HA THR 62 HA THR 62 -8.666 -3.493 7.156 489 HB THR 62 HB THR 62 -9.640 -0.814 7.058 490 HG1 THR 62 HG1 THR 62 -8.483 -1.460 9.585 491 1HG2 THR 62 1HG2 THR 62 -10.016 -3.024 9.124 492 2HG2 THR 62 2HG2 THR 62 -11.164 -1.713 8.768 493 3HG2 THR 62 3HG2 THR 62 -10.843 -2.967 7.544 494 H LEU 63 H LEU 63 -8.758 -3.984 5.049 495 HA LEU 63 HA LEU 63 -7.523 -2.111 3.139 496 1HB LEU 63 1HB LEU 63 -6.997 -4.575 3.277 497 2HB LEU 63 2HB LEU 63 -8.618 -4.895 2.613 498 HG LEU 63 HG LEU 63 -6.643 -2.997 1.280 499 1HD1 LEU 63 1HD2 LEU 63 -6.960 -6.009 1.007 500 2HD1 LEU 63 2HD2 LEU 63 -6.017 -4.993 -0.109 501 3HD1 LEU 63 3HD2 LEU 63 -5.527 -5.137 1.593 502 1HD2 LEU 63 1HD1 LEU 63 -9.015 -4.649 0.286 503 2HD2 LEU 63 2HD1 LEU 63 -8.996 -2.886 0.525 504 3HD2 LEU 63 3HD1 LEU 63 -7.980 -3.621 -0.736 505 H ILE 64 H ILE 64 -8.696 -0.658 2.294 506 HA ILE 64 HA ILE 64 -11.656 -0.897 2.032 507 HB ILE 64 HB ILE 64 -9.799 1.519 1.863 508 1HG1 ILE 64 1HG1 ILE 64 -11.583 0.742 4.191 509 2HG1 ILE 64 2HG1 ILE 64 -9.814 0.507 4.143 510 1HG2 ILE 64 1HG2 ILE 64 -12.820 1.365 2.189 511 2HG2 ILE 64 2HG2 ILE 64 -11.849 2.859 2.218 512 3HG2 ILE 64 3HG2 ILE 64 -11.949 1.890 0.729 513 1HD1 ILE 64 1HD1 ILE 64 -9.503 2.933 3.686 514 2HD1 ILE 64 2HD1 ILE 64 -11.264 3.169 3.836 515 3HD1 ILE 64 3HD1 ILE 64 -10.295 2.636 5.254 516 H ALA 65 H ALA 65 -12.561 0.134 0.117 517 HA ALA 65 HA ALA 65 -10.776 0.864 -2.111 518 1HB ALA 65 1HB ALA 65 -13.026 -1.187 -2.332 519 2HB ALA 65 2HB ALA 65 -12.108 -0.508 -3.696 520 3HB ALA 65 3HB ALA 65 -11.290 -1.546 -2.499 521 H GLN 66 H GLN 66 -11.412 3.010 -2.154 522 HA GLN 66 HA GLN 66 -14.338 3.357 -1.940 523 1HB GLN 66 1HB GLN 66 -13.905 5.565 -1.112 524 2HB GLN 66 2HB GLN 66 -12.720 4.534 -0.348 525 1HG GLN 66 1HG GLN 66 -10.954 5.406 -1.636 526 2HG GLN 66 2HG GLN 66 -12.067 6.054 -2.868 527 1HE2 GLN 66 2HE2 GLN 66 -10.232 7.899 -1.898 528 2HE2 GLN 66 1HE2 GLN 66 -11.044 8.997 -0.806 529 H GLY 67 H GLY 67 -14.658 2.489 -3.999 530 1HA GLY 67 1HA GLY 67 -14.825 4.600 -5.974 531 2HA GLY 67 2HA GLY 67 -13.699 3.308 -6.445 532 H GLU 68 H GLU 68 -15.152 2.953 -8.213 533 HA GLU 68 HA GLU 68 -17.888 2.254 -8.021 534 1HB GLU 68 1HB GLU 68 -15.716 1.520 -10.004 535 2HB GLU 68 2HB GLU 68 -17.461 1.335 -10.317 536 1HG GLU 68 1HG GLU 68 -17.806 3.669 -10.385 537 2HG GLU 68 2HG GLU 68 -16.385 3.992 -9.370 538 H ASP 69 H ASP 69 -14.911 0.314 -7.437 539 HA ASP 69 HA ASP 69 -16.702 -2.058 -7.039 540 1HB ASP 69 1HB ASP 69 -13.741 -2.129 -7.493 541 2HB ASP 69 2HB ASP 69 -14.882 -3.468 -7.482 542 H GLU 70 H GLU 70 -16.617 0.109 -5.097 543 HA GLU 70 HA GLU 70 -14.558 -0.056 -3.326 544 1HB GLU 70 1HB GLU 70 -16.195 0.642 -1.635 545 2HB GLU 70 2HB GLU 70 -16.269 1.581 -3.128 546 1HG GLU 70 1HG GLU 70 -18.305 0.489 -3.836 547 2HG GLU 70 2HG GLU 70 -18.237 -0.627 -2.444 548 H GLN 71 H GLN 71 -17.605 -1.835 -2.869 549 HA GLN 71 HA GLN 71 -16.844 -3.552 -0.827 550 1HB GLN 71 1HB GLN 71 -19.153 -3.290 -1.598 551 2HB GLN 71 2HB GLN 71 -18.731 -3.994 -3.175 552 1HG GLN 71 1HG GLN 71 -19.866 -5.649 -1.786 553 2HG GLN 71 2HG GLN 71 -18.185 -6.151 -2.065 554 1HE2 GLN 71 2HE2 GLN 71 -16.597 -5.750 -0.290 555 2HE2 GLN 71 1HE2 GLN 71 -17.207 -5.607 1.365 556 H GLU 72 H GLU 72 -16.624 -4.065 -4.321 557 HA GLU 72 HA GLU 72 -15.796 -6.775 -4.349 558 1HB GLU 72 1HB GLU 72 -16.774 -5.653 -6.264 559 2HB GLU 72 2HB GLU 72 -15.559 -4.353 -6.166 560 1HG GLU 72 1HG GLU 72 -14.911 -5.653 -7.965 561 2HG GLU 72 2HG GLU 72 -13.798 -6.082 -6.657 562 H ALA 73 H ALA 73 -13.975 -3.700 -4.660 563 HA ALA 73 HA ALA 73 -11.414 -4.893 -5.002 564 1HB ALA 73 1HB ALA 73 -12.170 -2.666 -5.759 565 2HB ALA 73 2HB ALA 73 -12.429 -2.170 -4.099 566 3HB ALA 73 3HB ALA 73 -10.760 -2.469 -4.676 567 H LEU 74 H LEU 74 -12.948 -3.229 -2.226 568 HA LEU 74 HA LEU 74 -10.887 -3.602 -0.368 569 1HB LEU 74 1HB LEU 74 -12.585 -2.970 1.263 570 2HB LEU 74 2HB LEU 74 -12.810 -2.083 -0.270 571 HG LEU 74 HG LEU 74 -14.421 -4.002 -0.898 572 1HD1 LEU 74 1HD1 LEU 74 -14.000 -5.429 1.049 573 2HD1 LEU 74 2HD1 LEU 74 -14.569 -4.131 2.138 574 3HD1 LEU 74 3HD1 LEU 74 -15.691 -4.897 0.978 575 1HD2 LEU 74 1HD2 LEU 74 -15.023 -1.684 -0.642 576 2HD2 LEU 74 2HD2 LEU 74 -16.290 -2.740 0.005 577 3HD2 LEU 74 3HD2 LEU 74 -15.188 -1.877 1.122 578 H GLU 75 H GLU 75 -13.718 -5.775 -1.031 579 HA GLU 75 HA GLU 75 -12.958 -7.528 1.095 580 1HB GLU 75 1HB GLU 75 -14.638 -9.061 0.151 581 2HB GLU 75 2HB GLU 75 -15.269 -7.409 0.330 582 1HG GLU 75 1HG GLU 75 -14.899 -6.986 -2.054 583 2HG GLU 75 2HG GLU 75 -14.153 -8.568 -2.249 584 H LYS 76 H LYS 76 -12.346 -7.725 -2.501 585 HA LYS 76 HA LYS 76 -11.254 -10.359 -2.216 586 1HB LYS 76 1HB LYS 76 -10.483 -10.132 -4.451 587 2HB LYS 76 2HB LYS 76 -12.084 -9.367 -4.317 588 1HG LYS 76 1HG LYS 76 -11.271 -7.220 -4.610 589 2HG LYS 76 2HG LYS 76 -9.614 -7.697 -4.132 590 1HD LYS 76 1HD LYS 76 -9.551 -9.211 -6.180 591 2HD LYS 76 2HD LYS 76 -11.048 -8.428 -6.711 592 1HE LYS 76 1HE LYS 76 -9.839 -6.205 -6.609 593 2HE LYS 76 2HE LYS 76 -8.345 -7.069 -6.212 594 1HZ LYS 76 1HZ LYS 76 -9.934 -7.428 -8.656 595 2HZ LYS 76 2HZ LYS 76 -8.561 -6.534 -8.512 596 3HZ LYS 76 3HZ LYS 76 -8.500 -8.176 -8.309 597 H LEU 77 H LEU 77 -9.864 -7.119 -2.221 598 HA LEU 77 HA LEU 77 -7.155 -8.050 -1.924 599 1HB LEU 77 1HB LEU 77 -8.434 -5.367 -1.396 600 2HB LEU 77 2HB LEU 77 -6.712 -5.719 -1.106 601 HG LEU 77 HG LEU 77 -6.863 -4.799 -3.354 602 1HD1 LEU 77 1HD2 LEU 77 -5.385 -6.826 -3.036 603 2HD1 LEU 77 2HD2 LEU 77 -6.789 -7.834 -3.514 604 3HD1 LEU 77 3HD2 LEU 77 -6.083 -6.699 -4.686 605 1HD2 LEU 77 1HD1 LEU 77 -9.280 -5.390 -3.733 606 2HD2 LEU 77 2HD1 LEU 77 -8.226 -5.938 -5.080 607 3HD2 LEU 77 3HD1 LEU 77 -8.780 -7.090 -3.841 608 H ALA 78 H ALA 78 -9.392 -6.700 0.648 609 HA ALA 78 HA ALA 78 -7.482 -7.210 2.693 610 1HB ALA 78 1HB ALA 78 -9.379 -5.686 3.046 611 2HB ALA 78 2HB ALA 78 -10.503 -7.069 2.958 612 3HB ALA 78 3HB ALA 78 -9.314 -6.950 4.273 613 H ALA 79 H ALA 79 -9.808 -9.395 1.092 614 HA ALA 79 HA ALA 79 -9.485 -11.536 2.995 615 1HB ALA 79 1HB ALA 79 -11.183 -11.437 1.114 616 2HB ALA 79 2HB ALA 79 -9.828 -11.626 -0.034 617 3HB ALA 79 3HB ALA 79 -10.214 -12.936 1.112 618 H TYR 80 H TYR 80 -7.966 -10.756 -0.136 619 HA TYR 80 HA TYR 80 -6.138 -12.818 -0.419 620 1HB TYR 80 1HB TYR 80 -6.812 -11.196 -2.086 621 2HB TYR 80 2HB TYR 80 -6.079 -9.886 -1.160 622 HD1 TYR 80 HD1 TYR 80 -4.283 -8.985 -2.254 623 HD2 TYR 80 HD2 TYR 80 -4.767 -13.265 -2.219 624 HE1 TYR 80 HE1 TYR 80 -2.149 -9.241 -3.510 625 HE2 TYR 80 HE2 TYR 80 -2.627 -13.518 -3.453 626 HH TYR 80 HH TYR 80 -0.699 -10.650 -4.384 627 H VAL 81 H VAL 81 -5.409 -9.600 0.837 628 HA VAL 81 HA VAL 81 -2.753 -9.641 1.421 629 HB VAL 81 HB VAL 81 -3.365 -7.997 3.219 630 1HG1 VAL 81 1HG2 VAL 81 -3.384 -7.346 0.824 631 2HG1 VAL 81 2HG2 VAL 81 -5.086 -7.873 0.723 632 3HG1 VAL 81 3HG2 VAL 81 -4.651 -6.490 1.759 633 1HG2 VAL 81 1HG1 VAL 81 -6.185 -9.013 2.571 634 2HG2 VAL 81 2HG1 VAL 81 -5.314 -9.287 4.083 635 3HG2 VAL 81 3HG1 VAL 81 -5.811 -7.643 3.648 636 H GLN 82 H GLN 82 -5.263 -11.114 3.462 637 HA GLN 82 HA GLN 82 -3.186 -11.662 5.538 638 1HB GLN 82 1HB GLN 82 -5.159 -11.656 7.070 639 2HB GLN 82 2HB GLN 82 -5.044 -10.154 6.143 640 1HG GLN 82 1HG GLN 82 -6.821 -10.979 4.645 641 2HG GLN 82 2HG GLN 82 -6.758 -12.546 5.400 642 1HE2 GLN 82 2HE2 GLN 82 -8.540 -9.983 5.308 643 2HE2 GLN 82 1HE2 GLN 82 -9.128 -9.722 6.962 644 H GLU 83 H GLU 83 -5.704 -13.002 3.547 645 HA GLU 83 HA GLU 83 -6.523 -15.270 4.691 646 1HB GLU 83 1HB GLU 83 -6.728 -13.957 2.348 647 2HB GLU 83 2HB GLU 83 -6.000 -15.507 1.793 648 1HG GLU 83 1HG GLU 83 -8.416 -15.771 1.778 649 2HG GLU 83 2HG GLU 83 -7.844 -16.639 3.219 650 H GLU 84 H GLU 84 -3.537 -15.275 2.554 651 HA GLU 84 HA GLU 84 -3.144 -17.995 3.696 652 1HB GLU 84 1HB GLU 84 -1.884 -18.464 1.571 653 2HB GLU 84 2HB GLU 84 -3.589 -18.047 1.325 654 1HG GLU 84 1HG GLU 84 -2.900 -15.662 0.905 655 2HG GLU 84 2HG GLU 84 -1.206 -16.194 0.929 656 H VAL 85 H VAL 85 -0.387 -17.455 2.133 657 HA VAL 85 HA VAL 85 1.001 -15.653 4.024 658 HB VAL 85 HB VAL 85 2.625 -17.220 4.767 659 1HG1 VAL 85 1HG1 VAL 85 0.053 -18.941 4.954 660 2HG1 VAL 85 2HG1 VAL 85 1.545 -19.194 5.894 661 3HG1 VAL 85 3HG1 VAL 85 0.599 -17.738 6.146 662 1HG2 VAL 85 1HG2 VAL 85 3.018 -18.447 2.584 663 2HG2 VAL 85 2HG2 VAL 85 2.968 -19.547 3.966 664 3HG2 VAL 85 3HG2 VAL 85 1.565 -19.433 2.873 Start of MODEL 23 1 1H VAL 2 1H VAL 2 -15.880 7.559 0.086 2 2H VAL 2 2H VAL 2 -15.900 7.288 -1.574 3 3H VAL 2 3H VAL 2 -17.245 7.954 -0.814 4 HA VAL 2 HA VAL 2 -17.661 6.000 0.376 5 HB VAL 2 HB VAL 2 -18.636 6.341 -1.813 6 1HG1 VAL 2 1HG2 VAL 2 -16.259 4.785 -2.887 7 2HG1 VAL 2 2HG2 VAL 2 -17.703 5.246 -3.818 8 3HG1 VAL 2 3HG2 VAL 2 -16.619 6.503 -3.180 9 1HG2 VAL 2 1HG1 VAL 2 -19.160 4.303 -0.537 10 2HG2 VAL 2 2HG1 VAL 2 -19.231 4.023 -2.296 11 3HG2 VAL 2 3HG1 VAL 2 -17.829 3.448 -1.356 12 H GLN 3 H GLN 3 -15.609 5.780 1.662 13 HA GLN 3 HA GLN 3 -13.970 3.516 0.614 14 1HB GLN 3 1HB GLN 3 -13.480 5.589 2.765 15 2HB GLN 3 2HB GLN 3 -12.605 4.019 2.785 16 1HG GLN 3 1HG GLN 3 -11.305 4.647 0.978 17 2HG GLN 3 2HG GLN 3 -12.830 4.844 0.166 18 1HE2 GLN 3 2HE2 GLN 3 -10.079 6.525 0.596 19 2HE2 GLN 3 1HE2 GLN 3 -10.685 8.153 0.759 20 H GLN 4 H GLN 4 -14.127 1.621 1.247 21 HA GLN 4 HA GLN 4 -15.356 1.135 3.927 22 1HB GLN 4 1HB GLN 4 -16.416 0.252 1.447 23 2HB GLN 4 2HB GLN 4 -15.668 -1.173 2.212 24 1HG GLN 4 1HG GLN 4 -17.682 0.721 3.504 25 2HG GLN 4 2HG GLN 4 -18.039 -0.909 2.901 26 1HE2 GLN 4 2HE2 GLN 4 -17.885 -2.583 4.342 27 2HE2 GLN 4 1HE2 GLN 4 -17.013 -2.489 5.871 28 H LYS 5 H LYS 5 -14.368 -0.660 5.049 29 HA LYS 5 HA LYS 5 -11.966 -1.869 3.820 30 1HB LYS 5 1HB LYS 5 -10.698 -1.291 5.949 31 2HB LYS 5 2HB LYS 5 -10.930 0.018 4.786 32 1HG LYS 5 1HG LYS 5 -12.979 -0.355 6.956 33 2HG LYS 5 2HG LYS 5 -11.436 0.439 7.364 34 1HD LYS 5 1HD LYS 5 -11.766 2.192 5.810 35 2HD LYS 5 2HD LYS 5 -13.020 1.283 4.934 36 1HE LYS 5 1HE LYS 5 -14.523 1.433 6.892 37 2HE LYS 5 2HE LYS 5 -13.283 2.351 7.772 38 1HZ LYS 5 1HZ LYS 5 -13.435 4.029 6.061 39 2HZ LYS 5 2HZ LYS 5 -14.631 3.191 5.287 40 3HZ LYS 5 3HZ LYS 5 -14.889 3.792 6.800 41 H VAL 6 H VAL 6 -11.262 -3.728 4.790 42 HA VAL 6 HA VAL 6 -12.857 -4.818 7.042 43 HB VAL 6 HB VAL 6 -12.862 -7.037 5.770 44 1HG1 VAL 6 1HG1 VAL 6 -14.425 -4.655 4.699 45 2HG1 VAL 6 2HG1 VAL 6 -14.872 -6.361 4.440 46 3HG1 VAL 6 3HG1 VAL 6 -14.880 -5.672 6.083 47 1HG2 VAL 6 1HG2 VAL 6 -11.197 -6.308 4.029 48 2HG2 VAL 6 2HG2 VAL 6 -12.719 -6.897 3.321 49 3HG2 VAL 6 3HG2 VAL 6 -12.394 -5.152 3.423 50 H GLU 7 H GLU 7 -11.597 -6.286 8.370 51 HA GLU 7 HA GLU 7 -8.787 -5.593 8.007 52 1HB GLU 7 1HB GLU 7 -10.234 -6.815 10.386 53 2HB GLU 7 2HB GLU 7 -8.502 -6.427 10.332 54 1HG GLU 7 1HG GLU 7 -9.033 -4.059 9.798 55 2HG GLU 7 2HG GLU 7 -10.762 -4.431 9.981 56 H VAL 8 H VAL 8 -7.084 -6.794 8.167 57 HA VAL 8 HA VAL 8 -7.239 -9.726 7.845 58 HB VAL 8 HB VAL 8 -6.701 -9.588 5.639 59 1HG1 VAL 8 1HG2 VAL 8 -8.055 -7.488 5.674 60 2HG1 VAL 8 2HG2 VAL 8 -6.538 -6.570 5.870 61 3HG1 VAL 8 3HG2 VAL 8 -6.807 -7.543 4.397 62 1HG2 VAL 8 1HG1 VAL 8 -4.480 -7.661 6.452 63 2HG2 VAL 8 2HG1 VAL 8 -4.329 -9.427 6.290 64 3HG2 VAL 8 3HG1 VAL 8 -4.634 -8.422 4.856 65 H ARG 9 H ARG 9 -5.294 -10.733 8.681 66 HA ARG 9 HA ARG 9 -3.432 -8.794 9.971 67 1HB ARG 9 1HB ARG 9 -3.698 -10.879 11.173 68 2HB ARG 9 2HB ARG 9 -3.345 -11.840 9.716 69 1HG ARG 9 1HG ARG 9 -1.325 -9.858 10.810 70 2HG ARG 9 2HG ARG 9 -1.452 -11.478 11.467 71 1HD ARG 9 1HD ARG 9 -0.590 -10.663 8.710 72 2HD ARG 9 2HD ARG 9 0.151 -11.827 9.814 73 HE ARG 9 HE ARG 9 -2.355 -12.235 8.219 74 1HH1 ARG 9 1HH2 ARG 9 0.659 -13.505 9.562 75 2HH1 ARG 9 2HH2 ARG 9 0.434 -15.100 8.897 76 1HH2 ARG 9 2HH1 ARG 9 -2.699 -14.367 7.419 77 2HH2 ARG 9 1HH1 ARG 9 -1.445 -15.556 7.551 78 H LEU 10 H LEU 10 -1.767 -7.933 8.884 79 HA LEU 10 HA LEU 10 -1.550 -8.276 6.084 80 1HB LEU 10 1HB LEU 10 -0.737 -6.361 7.770 81 2HB LEU 10 2HB LEU 10 0.791 -7.259 7.658 82 HG LEU 10 HG LEU 10 1.113 -5.876 5.863 83 1HD1 LEU 10 1HD1 LEU 10 0.837 -8.108 4.795 84 2HD1 LEU 10 2HD1 LEU 10 -0.891 -7.749 4.531 85 3HD1 LEU 10 3HD1 LEU 10 0.354 -6.773 3.721 86 1HD2 LEU 10 1HD2 LEU 10 -0.931 -4.583 6.401 87 2HD2 LEU 10 2HD2 LEU 10 -0.764 -4.789 4.644 88 3HD2 LEU 10 3HD2 LEU 10 -1.931 -5.787 5.550 89 H LYS 11 H LYS 11 -1.453 -10.538 5.946 90 HA LYS 11 HA LYS 11 0.748 -12.157 6.715 91 1HB LYS 11 1HB LYS 11 -1.559 -12.893 6.404 92 2HB LYS 11 2HB LYS 11 -1.543 -12.361 4.720 93 1HG LYS 11 1HG LYS 11 0.368 -14.468 5.747 94 2HG LYS 11 2HG LYS 11 -1.302 -14.872 5.316 95 1HD LYS 11 1HD LYS 11 0.834 -13.621 3.575 96 2HD LYS 11 2HD LYS 11 0.001 -15.165 3.279 97 1HE LYS 11 1HE LYS 11 -1.607 -12.598 3.463 98 2HE LYS 11 2HE LYS 11 -0.662 -12.942 1.988 99 1HZ LYS 11 1HZ LYS 11 -2.613 -14.796 3.042 100 2HZ LYS 11 2HZ LYS 11 -2.875 -13.720 1.828 101 3HZ LYS 11 3HZ LYS 11 -1.765 -14.894 1.627 102 H THR 12 H THR 12 0.400 -9.922 4.150 103 HA THR 12 HA THR 12 2.588 -11.069 2.487 104 HB THR 12 HB THR 12 1.591 -9.134 1.012 105 HG1 THR 12 HG1 THR 12 -0.704 -9.799 2.579 106 1HG2 THR 12 1HG2 THR 12 -0.027 -11.651 1.591 107 2HG2 THR 12 2HG2 THR 12 -0.080 -10.681 0.099 108 3HG2 THR 12 3HG2 THR 12 1.399 -11.576 0.528 109 H GLY 13 H GLY 13 2.241 -8.965 5.040 110 1HA GLY 13 1HA GLY 13 2.887 -6.746 5.529 111 2HA GLY 13 2HA GLY 13 4.369 -7.675 5.594 112 H LEU 14 H LEU 14 2.338 -6.580 3.028 113 HA LEU 14 HA LEU 14 2.789 -5.699 0.989 114 1HB LEU 14 1HB LEU 14 3.120 -3.625 3.064 115 2HB LEU 14 2HB LEU 14 3.301 -3.180 1.357 116 HG LEU 14 HG LEU 14 0.948 -2.935 1.922 117 1HD1 LEU 14 1HD1 LEU 14 1.316 -5.520 0.382 118 2HD1 LEU 14 2HD1 LEU 14 -0.160 -4.528 0.409 119 3HD1 LEU 14 3HD1 LEU 14 1.330 -3.881 -0.309 120 1HD2 LEU 14 1HD2 LEU 14 0.877 -4.479 3.887 121 2HD2 LEU 14 2HD2 LEU 14 -0.443 -4.784 2.733 122 3HD2 LEU 14 3HD2 LEU 14 0.969 -5.859 2.769 123 H GLN 15 H GLN 15 4.646 -7.289 1.115 124 HA GLN 15 HA GLN 15 7.134 -5.837 0.411 125 1HB GLN 15 1HB GLN 15 6.559 -8.697 1.168 126 2HB GLN 15 2HB GLN 15 8.146 -8.195 0.535 127 1HG GLN 15 1HG GLN 15 8.567 -6.744 2.339 128 2HG GLN 15 2HG GLN 15 6.834 -6.602 2.729 129 1HE2 GLN 15 2HE2 GLN 15 6.311 -7.494 4.547 130 2HE2 GLN 15 1HE2 GLN 15 6.817 -9.100 5.094 131 H ALA 16 H ALA 16 8.407 -7.705 -1.041 132 HA ALA 16 HA ALA 16 7.890 -6.762 -3.649 133 1HB ALA 16 1HB ALA 16 10.113 -7.301 -2.725 134 2HB ALA 16 2HB ALA 16 9.669 -9.027 -2.708 135 3HB ALA 16 3HB ALA 16 9.796 -8.156 -4.253 136 H ARG 17 H ARG 17 5.707 -7.407 -3.895 137 HA ARG 17 HA ARG 17 4.608 -8.433 -5.743 138 1HB ARG 17 1HB ARG 17 6.406 -10.716 -5.154 139 2HB ARG 17 2HB ARG 17 4.801 -11.032 -5.858 140 1HG ARG 17 1HG ARG 17 7.004 -9.309 -7.008 141 2HG ARG 17 2HG ARG 17 6.205 -10.718 -7.725 142 1HD ARG 17 1HD ARG 17 5.187 -7.886 -7.394 143 2HD ARG 17 2HD ARG 17 5.270 -8.877 -8.860 144 HE ARG 17 HE ARG 17 3.425 -9.792 -6.729 145 1HH1 ARG 17 1HH2 ARG 17 3.796 -7.972 -9.740 146 2HH1 ARG 17 2HH2 ARG 17 2.087 -7.965 -10.087 147 1HH2 ARG 17 2HH1 ARG 17 1.215 -9.780 -7.186 148 2HH2 ARG 17 1HH1 ARG 17 0.607 -9.090 -8.679 149 HA PRO 18 HA PRO 18 1.983 -10.781 -2.691 150 1HB PRO 18 1HB PRO 18 2.354 -10.537 0.000 151 2HB PRO 18 2HB PRO 18 3.383 -11.693 -0.914 152 1HG PRO 18 1HG PRO 18 3.998 -8.791 -0.271 153 2HG PRO 18 2HG PRO 18 5.022 -10.153 0.188 154 1HD PRO 18 1HD PRO 18 5.530 -8.841 -2.103 155 2HD PRO 18 2HD PRO 18 5.573 -10.630 -2.121 156 H ALA 19 H ALA 19 3.562 -7.840 -1.520 157 HA ALA 19 HA ALA 19 1.221 -6.359 -0.751 158 1HB ALA 19 1HB ALA 19 3.985 -5.668 -1.810 159 2HB ALA 19 2HB ALA 19 2.883 -4.520 -0.969 160 3HB ALA 19 3HB ALA 19 3.559 -5.947 -0.110 161 H ALA 20 H ALA 20 3.290 -6.695 -3.562 162 HA ALA 20 HA ALA 20 2.146 -4.804 -5.350 163 1HB ALA 20 1HB ALA 20 4.259 -6.079 -5.774 164 2HB ALA 20 2HB ALA 20 3.286 -7.561 -5.983 165 3HB ALA 20 3HB ALA 20 3.108 -6.212 -7.125 166 H LEU 21 H LEU 21 1.471 -8.255 -4.798 167 HA LEU 21 HA LEU 21 -0.733 -8.634 -6.461 168 1HB LEU 21 1HB LEU 21 0.647 -10.269 -4.976 169 2HB LEU 21 2HB LEU 21 -0.530 -9.877 -3.705 170 HG LEU 21 HG LEU 21 -1.158 -10.974 -6.484 171 1HD1 LEU 21 1HD1 LEU 21 -0.066 -12.612 -4.988 172 2HD1 LEU 21 2HD1 LEU 21 -1.279 -12.274 -3.731 173 3HD1 LEU 21 3HD1 LEU 21 -1.773 -13.030 -5.261 174 1HD2 LEU 21 1HD2 LEU 21 -2.960 -9.525 -5.557 175 2HD2 LEU 21 2HD2 LEU 21 -3.454 -11.232 -5.649 176 3HD2 LEU 21 3HD2 LEU 21 -2.983 -10.527 -4.085 177 H PHE 22 H PHE 22 -0.749 -7.811 -2.993 178 HA PHE 22 HA PHE 22 -3.422 -7.331 -2.395 179 1HB PHE 22 1HB PHE 22 -1.407 -7.349 -0.943 180 2HB PHE 22 2HB PHE 22 -0.898 -5.809 -1.639 181 HD1 PHE 22 HD1 PHE 22 -1.502 -6.847 1.314 182 HD2 PHE 22 HD2 PHE 22 -3.482 -4.245 -1.501 183 HE1 PHE 22 HE1 PHE 22 -2.520 -5.585 3.187 184 HE2 PHE 22 HE2 PHE 22 -4.499 -2.990 0.373 185 HZ PHE 22 HZ PHE 22 -4.042 -3.671 2.725 186 H VAL 23 H VAL 23 -1.121 -4.724 -3.111 187 HA VAL 23 HA VAL 23 -2.837 -2.599 -3.546 188 HB VAL 23 HB VAL 23 -0.126 -3.374 -4.660 189 1HG1 VAL 23 1HG2 VAL 23 -1.520 -0.684 -4.874 190 2HG1 VAL 23 2HG2 VAL 23 0.186 -0.997 -5.265 191 3HG1 VAL 23 3HG2 VAL 23 -1.103 -1.779 -6.210 192 1HG2 VAL 23 1HG1 VAL 23 -0.226 -2.968 -2.171 193 2HG2 VAL 23 2HG1 VAL 23 0.784 -1.786 -3.010 194 3HG2 VAL 23 3HG1 VAL 23 -0.836 -1.340 -2.484 195 H GLN 24 H GLN 24 -1.772 -5.100 -5.877 196 HA GLN 24 HA GLN 24 -2.779 -3.936 -8.267 197 1HB GLN 24 1HB GLN 24 -0.868 -5.377 -8.221 198 2HB GLN 24 2HB GLN 24 -1.723 -6.534 -7.199 199 1HG GLN 24 1HG GLN 24 -3.306 -6.689 -9.372 200 2HG GLN 24 2HG GLN 24 -1.738 -6.257 -10.106 201 1HE2 GLN 24 2HE2 GLN 24 -2.835 -8.247 -7.287 202 2HE2 GLN 24 1HE2 GLN 24 -2.011 -9.715 -7.807 203 H GLU 25 H GLU 25 -4.075 -6.360 -5.961 204 HA GLU 25 HA GLU 25 -6.290 -7.015 -7.773 205 1HB GLU 25 1HB GLU 25 -7.090 -8.268 -5.626 206 2HB GLU 25 2HB GLU 25 -5.666 -8.876 -6.488 207 1HG GLU 25 1HG GLU 25 -4.162 -7.821 -4.933 208 2HG GLU 25 2HG GLU 25 -5.488 -7.027 -4.087 209 H ALA 26 H ALA 26 -5.727 -4.956 -4.903 210 HA ALA 26 HA ALA 26 -8.448 -4.065 -4.680 211 1HB ALA 26 1HB ALA 26 -5.825 -2.581 -4.302 212 2HB ALA 26 2HB ALA 26 -7.406 -2.038 -3.684 213 3HB ALA 26 3HB ALA 26 -6.664 -3.533 -3.045 214 H ASN 27 H ASN 27 -5.601 -2.786 -6.321 215 HA ASN 27 HA ASN 27 -6.348 -0.683 -7.857 216 1HB ASN 27 1HB ASN 27 -4.368 -2.793 -7.773 217 2HB ASN 27 2HB ASN 27 -4.864 -2.596 -9.449 218 1HD2 ASN 27 2HD2 ASN 27 -3.284 -1.136 -6.711 219 2HD2 ASN 27 1HD2 ASN 27 -2.547 0.226 -7.570 220 H ARG 28 H ARG 28 -6.519 -4.107 -8.705 221 HA ARG 28 HA ARG 28 -7.186 -3.742 -11.428 222 1HB ARG 28 1HB ARG 28 -7.365 -6.143 -11.517 223 2HB ARG 28 2HB ARG 28 -6.061 -5.693 -10.368 224 1HG ARG 28 1HG ARG 28 -7.128 -7.083 -8.986 225 2HG ARG 28 2HG ARG 28 -8.084 -5.609 -8.705 226 1HD ARG 28 1HD ARG 28 -9.652 -7.447 -9.096 227 2HD ARG 28 2HD ARG 28 -9.707 -6.330 -10.468 228 HE ARG 28 HE ARG 28 -8.411 -9.014 -10.430 229 1HH1 ARG 28 2HH1 ARG 28 -9.512 -6.160 -12.270 230 2HH1 ARG 28 1HH1 ARG 28 -9.425 -6.978 -13.800 231 1HH2 ARG 28 1HH2 ARG 28 -8.296 -10.048 -12.457 232 2HH2 ARG 28 2HH2 ARG 28 -8.705 -9.194 -13.918 233 H PHE 29 H PHE 29 -9.191 -3.274 -8.730 234 HA PHE 29 HA PHE 29 -11.647 -3.905 -10.232 235 1HB PHE 29 1HB PHE 29 -10.901 -2.935 -7.477 236 2HB PHE 29 2HB PHE 29 -12.547 -2.679 -8.083 237 HD1 PHE 29 HD1 PHE 29 -13.028 -5.132 -9.675 238 HD2 PHE 29 HD2 PHE 29 -10.979 -4.660 -5.929 239 HE1 PHE 29 HE1 PHE 29 -13.806 -7.383 -8.977 240 HE2 PHE 29 HE2 PHE 29 -11.966 -6.824 -5.128 241 HZ PHE 29 HZ PHE 29 -13.290 -8.224 -6.702 242 H THR 30 H THR 30 -11.133 -0.963 -8.377 243 HA THR 30 HA THR 30 -10.737 0.825 -10.594 244 HB THR 30 HB THR 30 -12.932 2.074 -10.114 245 HG1 THR 30 HG1 THR 30 -13.783 -0.513 -9.304 246 1HG2 THR 30 1HG2 THR 30 -14.264 0.710 -11.710 247 2HG2 THR 30 2HG2 THR 30 -12.587 0.960 -12.245 248 3HG2 THR 30 3HG2 THR 30 -13.059 -0.601 -11.546 249 H SER 31 H SER 31 -12.443 0.564 -7.570 250 HA SER 31 HA SER 31 -12.232 2.632 -6.089 251 1HB SER 31 1HB SER 31 -11.245 0.000 -5.030 252 2HB SER 31 2HB SER 31 -12.290 1.186 -4.215 253 HG SER 31 HG SER 31 -13.501 -0.583 -5.057 254 H ASP 32 H ASP 32 -11.109 3.967 -5.082 255 HA ASP 32 HA ASP 32 -8.180 3.922 -5.230 256 1HB ASP 32 1HB ASP 32 -9.499 6.061 -5.352 257 2HB ASP 32 2HB ASP 32 -9.994 5.797 -3.659 258 H VAL 33 H VAL 33 -7.202 2.525 -3.987 259 HA VAL 33 HA VAL 33 -8.665 1.484 -1.676 260 HB VAL 33 HB VAL 33 -6.503 0.502 -3.517 261 1HG1 VAL 33 1HG1 VAL 33 -7.462 -0.806 -0.955 262 2HG1 VAL 33 2HG1 VAL 33 -6.558 -1.641 -2.251 263 3HG1 VAL 33 3HG1 VAL 33 -5.810 -0.278 -1.377 264 1HG2 VAL 33 1HG2 VAL 33 -8.843 0.679 -4.208 265 2HG2 VAL 33 2HG2 VAL 33 -8.403 -1.030 -4.083 266 3HG2 VAL 33 3HG2 VAL 33 -9.380 -0.249 -2.804 267 H PHE 34 H PHE 34 -7.855 0.991 0.306 268 HA PHE 34 HA PHE 34 -5.445 2.425 1.162 269 1HB PHE 34 1HB PHE 34 -8.075 2.921 2.595 270 2HB PHE 34 2HB PHE 34 -6.465 3.526 2.966 271 HD1 PHE 34 HD1 PHE 34 -5.812 5.638 2.272 272 HD2 PHE 34 HD2 PHE 34 -8.896 3.570 0.080 273 HE1 PHE 34 HE1 PHE 34 -6.137 7.636 0.835 274 HE2 PHE 34 HE2 PHE 34 -9.097 5.491 -1.451 275 HZ PHE 34 HZ PHE 34 -7.765 7.551 -1.062 276 H LEU 35 H LEU 35 -5.223 1.995 3.664 277 HA LEU 35 HA LEU 35 -6.331 -0.548 4.605 278 1HB LEU 35 1HB LEU 35 -4.446 -1.235 3.134 279 2HB LEU 35 2HB LEU 35 -3.344 -0.208 4.088 280 HG LEU 35 HG LEU 35 -3.945 -1.584 6.114 281 1HD1 LEU 35 1HD1 LEU 35 -5.365 -3.244 3.977 282 2HD1 LEU 35 2HD1 LEU 35 -5.065 -3.786 5.646 283 3HD1 LEU 35 3HD1 LEU 35 -6.136 -2.401 5.341 284 1HD2 LEU 35 1HD2 LEU 35 -2.866 -3.043 3.663 285 2HD2 LEU 35 2HD2 LEU 35 -1.925 -2.024 4.776 286 3HD2 LEU 35 3HD2 LEU 35 -2.624 -3.559 5.351 287 H GLU 36 H GLU 36 -6.752 -0.149 6.634 288 HA GLU 36 HA GLU 36 -5.292 2.010 8.100 289 1HB GLU 36 1HB GLU 36 -7.827 0.767 9.079 290 2HB GLU 36 2HB GLU 36 -7.265 2.449 9.228 291 1HG GLU 36 1HG GLU 36 -7.802 2.900 6.923 292 2HG GLU 36 2HG GLU 36 -8.081 1.182 6.592 293 H LYS 37 H LYS 37 -3.537 0.684 8.920 294 HA LYS 37 HA LYS 37 -3.817 -2.069 9.762 295 1HB LYS 37 1HB LYS 37 -1.730 -0.087 10.658 296 2HB LYS 37 2HB LYS 37 -1.560 -1.849 10.498 297 1HG LYS 37 1HG LYS 37 -1.828 -1.595 8.009 298 2HG LYS 37 2HG LYS 37 -1.867 0.173 8.224 299 1HD LYS 37 1HD LYS 37 0.434 -0.583 7.710 300 2HD LYS 37 2HD LYS 37 0.346 0.073 9.355 301 1HE LYS 37 1HE LYS 37 1.648 -1.936 9.364 302 2HE LYS 37 2HE LYS 37 0.132 -2.279 10.219 303 1HZ LYS 37 1HZ LYS 37 -0.682 -3.274 8.165 304 2HZ LYS 37 2HZ LYS 37 0.776 -3.018 7.435 305 3HZ LYS 37 3HZ LYS 37 0.671 -4.034 8.722 306 H ASP 38 H ASP 38 -5.328 -2.441 11.411 307 HA ASP 38 HA ASP 38 -6.443 -2.170 13.369 308 1HB ASP 38 1HB ASP 38 -3.661 -1.285 14.205 309 2HB ASP 38 2HB ASP 38 -5.010 -1.465 15.339 310 H GLY 39 H GLY 39 -6.302 0.116 11.398 311 1HA GLY 39 1HA GLY 39 -7.793 2.084 11.869 312 2HA GLY 39 2HA GLY 39 -6.825 2.314 13.339 313 H LYS 40 H LYS 40 -4.273 1.543 11.725 314 HA LYS 40 HA LYS 40 -3.632 4.299 11.058 315 1HB LYS 40 1HB LYS 40 -2.062 1.733 10.758 316 2HB LYS 40 2HB LYS 40 -1.385 3.382 10.740 317 1HG LYS 40 1HG LYS 40 -2.098 3.668 13.121 318 2HG LYS 40 2HG LYS 40 -2.820 2.037 13.074 319 1HD LYS 40 1HD LYS 40 0.132 2.704 12.704 320 2HD LYS 40 2HD LYS 40 -0.608 1.835 14.071 321 1HE LYS 40 1HE LYS 40 -1.507 0.153 12.427 322 2HE LYS 40 2HE LYS 40 -0.627 0.990 11.140 323 1HZ LYS 40 1HZ LYS 40 0.618 -0.223 13.522 324 2HZ LYS 40 2HZ LYS 40 0.614 -0.888 12.015 325 3HZ LYS 40 3HZ LYS 40 1.423 0.521 12.293 326 H LYS 41 H LYS 41 -5.252 4.432 9.365 327 HA LYS 41 HA LYS 41 -4.974 2.865 6.955 328 1HB LYS 41 1HB LYS 41 -7.134 3.718 7.785 329 2HB LYS 41 2HB LYS 41 -6.526 5.361 7.584 330 1HG LYS 41 1HG LYS 41 -6.208 4.771 5.066 331 2HG LYS 41 2HG LYS 41 -7.185 3.335 5.410 332 1HD LYS 41 1HD LYS 41 -9.082 4.646 5.978 333 2HD LYS 41 2HD LYS 41 -8.100 6.102 6.277 334 1HE LYS 41 1HE LYS 41 -7.726 6.533 4.013 335 2HE LYS 41 2HE LYS 41 -8.070 4.870 3.526 336 1HZ LYS 41 1HZ LYS 41 -10.379 5.276 4.130 337 2HZ LYS 41 2HZ LYS 41 -10.033 6.850 4.471 338 3HZ LYS 41 3HZ LYS 41 -9.861 6.282 2.932 339 H VAL 42 H VAL 42 -4.250 3.274 5.065 340 HA VAL 42 HA VAL 42 -3.333 5.884 4.072 341 HB VAL 42 HB VAL 42 -1.106 4.747 3.431 342 1HG1 VAL 42 1HG1 VAL 42 -1.685 5.138 6.387 343 2HG1 VAL 42 2HG1 VAL 42 -0.060 5.042 5.663 344 3HG1 VAL 42 3HG1 VAL 42 -1.146 6.385 5.236 345 1HG2 VAL 42 1HG2 VAL 42 -2.112 2.763 5.522 346 2HG2 VAL 42 2HG2 VAL 42 -1.876 2.436 3.789 347 3HG2 VAL 42 3HG2 VAL 42 -0.470 2.777 4.831 348 H ASN 43 H ASN 43 -2.386 5.566 1.774 349 HA ASN 43 HA ASN 43 -4.582 4.274 0.360 350 1HB ASN 43 1HB ASN 43 -3.479 6.469 -0.343 351 2HB ASN 43 2HB ASN 43 -2.057 5.497 -0.797 352 1HD2 ASN 43 2HD2 ASN 43 -5.470 6.191 -1.475 353 2HD2 ASN 43 1HD2 ASN 43 -5.513 5.434 -3.050 354 H ALA 44 H ALA 44 -4.585 2.266 0.274 355 HA ALA 44 HA ALA 44 -2.572 0.441 0.972 356 1HB ALA 44 1HB ALA 44 -5.020 0.070 -0.791 357 2HB ALA 44 2HB ALA 44 -4.105 -1.253 -0.027 358 3HB ALA 44 3HB ALA 44 -4.988 -0.075 0.978 359 H LYS 45 H LYS 45 -3.563 1.645 -2.213 360 HA LYS 45 HA LYS 45 -1.799 -0.275 -3.591 361 1HB LYS 45 1HB LYS 45 -2.552 1.022 -5.636 362 2HB LYS 45 2HB LYS 45 -3.830 0.150 -4.764 363 1HG LYS 45 1HG LYS 45 -4.693 2.138 -3.793 364 2HG LYS 45 2HG LYS 45 -3.238 3.065 -4.155 365 1HD LYS 45 1HD LYS 45 -5.211 3.542 -5.704 366 2HD LYS 45 2HD LYS 45 -3.689 3.105 -6.497 367 1HE LYS 45 1HE LYS 45 -5.519 1.919 -7.586 368 2HE LYS 45 2HE LYS 45 -4.438 0.779 -6.766 369 1HZ LYS 45 1HZ LYS 45 -6.021 0.796 -4.921 370 2HZ LYS 45 2HZ LYS 45 -7.081 1.682 -5.834 371 3HZ LYS 45 3HZ LYS 45 -6.642 0.178 -6.314 372 H SER 46 H SER 46 -1.492 2.900 -2.251 373 HA SER 46 HA SER 46 0.707 3.465 -4.191 374 1HB SER 46 1HB SER 46 -0.694 5.260 -2.179 375 2HB SER 46 2HB SER 46 0.641 5.756 -3.235 376 HG SER 46 HG SER 46 -1.956 4.849 -3.974 377 H ILE 47 H ILE 47 2.726 3.863 -3.584 378 HA ILE 47 HA ILE 47 4.438 2.992 -1.981 379 HB ILE 47 HB ILE 47 4.965 4.886 -3.306 380 1HG1 ILE 47 1HG1 ILE 47 6.407 4.440 -1.196 381 2HG1 ILE 47 2HG1 ILE 47 6.610 5.971 -2.068 382 1HG2 ILE 47 1HG2 ILE 47 2.901 6.176 -2.914 383 2HG2 ILE 47 2HG2 ILE 47 3.508 6.633 -1.306 384 3HG2 ILE 47 3HG2 ILE 47 4.363 7.183 -2.764 385 1HD1 ILE 47 1HD1 ILE 47 5.132 7.127 -0.461 386 2HD1 ILE 47 2HD1 ILE 47 4.919 5.621 0.441 387 3HD1 ILE 47 3HD1 ILE 47 6.516 6.383 0.376 388 H MET 48 H MET 48 2.655 5.729 -0.386 389 HA MET 48 HA MET 48 3.854 4.898 2.107 390 1HB MET 48 1HB MET 48 1.893 7.055 1.288 391 2HB MET 48 2HB MET 48 2.237 6.728 3.010 392 1HG MET 48 1HG MET 48 4.601 7.005 2.680 393 2HG MET 48 2HG MET 48 4.377 7.203 0.937 394 1HE MET 48 1HE MET 48 1.939 8.870 0.630 395 2HE MET 48 2HE MET 48 2.519 10.556 0.617 396 3HE MET 48 3HE MET 48 3.429 9.291 -0.251 397 H GLY 49 H GLY 49 0.781 4.177 0.567 398 1HA GLY 49 1HA GLY 49 -0.400 3.224 3.062 399 2HA GLY 49 2HA GLY 49 -1.066 3.020 1.413 400 H LEU 50 H LEU 50 0.965 1.805 0.049 401 HA LEU 50 HA LEU 50 0.957 -0.885 0.975 402 1HB LEU 50 1HB LEU 50 0.878 -0.537 -1.323 403 2HB LEU 50 2HB LEU 50 2.092 0.751 -1.277 404 HG LEU 50 HG LEU 50 3.902 -0.785 -1.000 405 1HD1 LEU 50 1HD2 LEU 50 2.708 -2.355 0.497 406 2HD1 LEU 50 2HD2 LEU 50 1.807 -2.981 -0.903 407 3HD1 LEU 50 3HD2 LEU 50 3.579 -3.192 -0.812 408 1HD2 LEU 50 1HD1 LEU 50 1.916 -1.788 -3.079 409 2HD2 LEU 50 2HD1 LEU 50 3.084 -0.463 -3.293 410 3HD2 LEU 50 3HD1 LEU 50 3.661 -2.139 -3.077 411 H MET 51 H MET 51 3.781 1.270 0.342 412 HA MET 51 HA MET 51 5.556 -0.678 1.541 413 1HB MET 51 1HB MET 51 6.284 0.510 -0.402 414 2HB MET 51 2HB MET 51 5.862 2.087 0.298 415 1HG MET 51 1HG MET 51 7.909 0.366 1.686 416 2HG MET 51 2HG MET 51 8.362 1.248 0.219 417 1HE MET 51 1HE MET 51 6.486 3.798 0.517 418 2HE MET 51 2HE MET 51 7.652 4.958 1.205 419 3HE MET 51 3HE MET 51 8.159 3.842 -0.091 420 H SER 52 H SER 52 4.161 2.496 2.480 421 HA SER 52 HA SER 52 5.975 2.574 4.752 422 1HB SER 52 1HB SER 52 3.491 4.253 4.280 423 2HB SER 52 2HB SER 52 4.855 4.633 5.360 424 HG SER 52 HG SER 52 6.055 4.243 3.166 425 H LEU 53 H LEU 53 2.366 2.428 4.677 426 HA LEU 53 HA LEU 53 2.399 1.511 7.452 427 1HB LEU 53 1HB LEU 53 0.271 2.095 5.462 428 2HB LEU 53 2HB LEU 53 -0.092 1.359 7.043 429 HG LEU 53 HG LEU 53 -0.272 3.750 7.310 430 1HD1 LEU 53 1HD1 LEU 53 0.666 2.424 9.161 431 2HD1 LEU 53 2HD1 LEU 53 2.307 2.719 8.536 432 3HD1 LEU 53 3HD1 LEU 53 1.325 4.076 9.134 433 1HD2 LEU 53 1HD2 LEU 53 1.215 4.460 5.445 434 2HD2 LEU 53 2HD2 LEU 53 1.625 5.276 6.976 435 3HD2 LEU 53 3HD2 LEU 53 2.619 3.919 6.392 436 H ALA 54 H ALA 54 0.811 0.194 4.584 437 HA ALA 54 HA ALA 54 -0.094 -2.215 5.356 438 1HB ALA 54 1HB ALA 54 -0.443 -1.097 3.141 439 2HB ALA 54 2HB ALA 54 1.192 -1.562 2.670 440 3HB ALA 54 3HB ALA 54 -0.028 -2.812 2.958 441 H VAL 55 H VAL 55 3.212 -1.635 4.227 442 HA VAL 55 HA VAL 55 4.298 -4.159 4.219 443 HB VAL 55 HB VAL 55 5.424 -1.978 3.693 444 1HG1 VAL 55 1HG2 VAL 55 4.774 -0.820 5.816 445 2HG1 VAL 55 2HG2 VAL 55 5.864 -1.901 6.714 446 3HG1 VAL 55 3HG2 VAL 55 6.524 -0.760 5.514 447 1HG2 VAL 55 1HG1 VAL 55 6.689 -4.095 3.847 448 2HG2 VAL 55 2HG1 VAL 55 7.667 -2.725 4.434 449 3HG2 VAL 55 3HG1 VAL 55 6.898 -3.842 5.594 450 H SER 56 H SER 56 3.132 -2.643 7.173 451 HA SER 56 HA SER 56 4.842 -4.265 8.837 452 1HB SER 56 1HB SER 56 2.199 -3.185 9.795 453 2HB SER 56 2HB SER 56 3.705 -3.372 10.691 454 HG SER 56 HG SER 56 3.283 -1.458 8.591 455 H THR 57 H THR 57 4.556 -6.308 7.759 456 HA THR 57 HA THR 57 2.515 -8.026 7.669 457 HB THR 57 HB THR 57 5.113 -8.707 9.086 458 HG1 THR 57 HG1 THR 57 5.548 -9.055 6.636 459 1HG2 THR 57 1HG2 THR 57 4.865 -10.781 7.712 460 2HG2 THR 57 2HG2 THR 57 3.514 -10.560 8.858 461 3HG2 THR 57 3HG2 THR 57 3.310 -10.178 7.125 462 H GLY 58 H GLY 58 1.171 -9.121 8.950 463 1HA GLY 58 1HA GLY 58 0.308 -10.082 10.903 464 2HA GLY 58 2HA GLY 58 1.689 -9.441 11.801 465 H THR 59 H THR 59 0.228 -6.785 10.165 466 HA THR 59 HA THR 59 -0.963 -6.028 12.753 467 HB THR 59 HB THR 59 -0.896 -4.495 10.106 468 HG1 THR 59 HG1 THR 59 1.207 -4.954 10.852 469 1HG2 THR 59 1HG2 THR 59 -1.153 -2.502 11.557 470 2HG2 THR 59 2HG2 THR 59 -2.511 -3.632 11.785 471 3HG2 THR 59 3HG2 THR 59 -1.206 -3.553 12.987 472 H GLU 60 H GLU 60 -3.353 -5.574 12.903 473 HA GLU 60 HA GLU 60 -4.729 -7.227 10.864 474 1HB GLU 60 1HB GLU 60 -6.588 -7.453 12.270 475 2HB GLU 60 2HB GLU 60 -5.160 -7.825 13.244 476 1HG GLU 60 1HG GLU 60 -5.209 -5.538 14.222 477 2HG GLU 60 2HG GLU 60 -6.679 -5.199 13.283 478 H VAL 61 H VAL 61 -4.522 -6.004 9.319 479 HA VAL 61 HA VAL 61 -4.966 -3.137 9.292 480 HB VAL 61 HB VAL 61 -4.643 -4.093 6.676 481 1HG1 VAL 61 1HG2 VAL 61 -4.018 -2.112 7.836 482 2HG1 VAL 61 2HG2 VAL 61 -2.898 -3.050 8.874 483 3HG1 VAL 61 3HG2 VAL 61 -2.560 -2.896 7.106 484 1HG2 VAL 61 1HG1 VAL 61 -2.769 -5.419 8.737 485 2HG2 VAL 61 2HG1 VAL 61 -3.778 -6.301 7.585 486 3HG2 VAL 61 3HG1 VAL 61 -2.406 -5.312 6.999 487 H THR 62 H THR 62 -6.544 -2.018 8.476 488 HA THR 62 HA THR 62 -8.761 -3.649 7.614 489 HB THR 62 HB THR 62 -9.064 -0.653 8.060 490 HG1 THR 62 HG1 THR 62 -7.927 -1.432 9.874 491 1HG2 THR 62 1HG2 THR 62 -11.264 -1.462 8.956 492 2HG2 THR 62 2HG2 THR 62 -11.009 -1.962 7.268 493 3HG2 THR 62 3HG2 THR 62 -10.763 -3.130 8.591 494 H LEU 63 H LEU 63 -8.431 -4.163 5.556 495 HA LEU 63 HA LEU 63 -7.244 -2.345 3.658 496 1HB LEU 63 1HB LEU 63 -6.988 -4.831 3.699 497 2HB LEU 63 2HB LEU 63 -8.659 -4.989 3.119 498 HG LEU 63 HG LEU 63 -6.622 -3.228 1.701 499 1HD1 LEU 63 1HD2 LEU 63 -7.075 -6.222 1.381 500 2HD1 LEU 63 2HD2 LEU 63 -6.140 -5.201 0.260 501 3HD1 LEU 63 3HD2 LEU 63 -5.578 -5.429 1.930 502 1HD2 LEU 63 1HD1 LEU 63 -9.087 -4.787 0.812 503 2HD2 LEU 63 2HD1 LEU 63 -9.022 -3.030 1.088 504 3HD2 LEU 63 3HD1 LEU 63 -8.083 -3.757 -0.239 505 H ILE 64 H ILE 64 -8.150 -0.823 2.676 506 HA ILE 64 HA ILE 64 -11.088 -0.496 2.591 507 HB ILE 64 HB ILE 64 -8.804 1.510 2.303 508 1HG1 ILE 64 1HG1 ILE 64 -10.801 1.096 4.556 509 2HG1 ILE 64 2HG1 ILE 64 -9.040 0.819 4.634 510 1HG2 ILE 64 1HG2 ILE 64 -11.816 1.927 2.366 511 2HG2 ILE 64 2HG2 ILE 64 -10.588 3.219 2.397 512 3HG2 ILE 64 3HG2 ILE 64 -10.744 2.170 0.968 513 1HD1 ILE 64 1HD1 ILE 64 -8.693 3.234 4.014 514 2HD1 ILE 64 2HD1 ILE 64 -10.454 3.469 4.046 515 3HD1 ILE 64 3HD1 ILE 64 -9.589 3.054 5.543 516 H ALA 65 H ALA 65 -12.055 0.226 0.729 517 HA ALA 65 HA ALA 65 -10.504 0.818 -1.650 518 1HB ALA 65 1HB ALA 65 -11.067 -1.659 -1.933 519 2HB ALA 65 2HB ALA 65 -12.778 -1.255 -1.661 520 3HB ALA 65 3HB ALA 65 -11.934 -0.630 -3.095 521 H GLN 66 H GLN 66 -11.282 2.422 -2.619 522 HA GLN 66 HA GLN 66 -14.046 3.289 -1.970 523 1HB GLN 66 1HB GLN 66 -12.250 4.347 -0.640 524 2HB GLN 66 2HB GLN 66 -11.445 4.951 -2.070 525 1HG GLN 66 1HG GLN 66 -14.252 5.525 -2.236 526 2HG GLN 66 2HG GLN 66 -13.687 5.965 -0.616 527 1HE2 GLN 66 2HE2 GLN 66 -11.996 6.190 -3.804 528 2HE2 GLN 66 1HE2 GLN 66 -11.604 7.899 -3.648 529 H GLY 67 H GLY 67 -14.319 2.027 -4.032 530 1HA GLY 67 1HA GLY 67 -14.413 4.010 -6.188 531 2HA GLY 67 2HA GLY 67 -13.378 2.587 -6.469 532 H GLU 68 H GLU 68 -14.842 2.101 -8.249 533 HA GLU 68 HA GLU 68 -17.631 1.675 -7.939 534 1HB GLU 68 1HB GLU 68 -15.602 0.571 -9.917 535 2HB GLU 68 2HB GLU 68 -17.373 0.466 -10.100 536 1HG GLU 68 1HG GLU 68 -17.517 2.932 -9.989 537 2HG GLU 68 2HG GLU 68 -15.748 3.031 -9.846 538 H ASP 69 H ASP 69 -14.865 -0.381 -6.904 539 HA ASP 69 HA ASP 69 -16.915 -2.548 -6.722 540 1HB ASP 69 1HB ASP 69 -13.938 -3.017 -6.766 541 2HB ASP 69 2HB ASP 69 -15.252 -4.190 -6.887 542 H GLU 70 H GLU 70 -16.087 -0.110 -4.996 543 HA GLU 70 HA GLU 70 -14.313 -0.232 -3.157 544 1HB GLU 70 1HB GLU 70 -16.154 1.405 -3.370 545 2HB GLU 70 2HB GLU 70 -17.271 0.227 -2.675 546 1HG GLU 70 1HG GLU 70 -15.216 0.472 -0.760 547 2HG GLU 70 2HG GLU 70 -15.576 2.123 -1.293 548 H GLN 71 H GLN 71 -17.334 -1.395 -1.699 549 HA GLN 71 HA GLN 71 -16.305 -2.879 0.311 550 1HB GLN 71 1HB GLN 71 -18.670 -2.321 -0.089 551 2HB GLN 71 2HB GLN 71 -18.754 -3.569 -1.345 552 1HG GLN 71 1HG GLN 71 -19.686 -4.361 0.800 553 2HG GLN 71 2HG GLN 71 -18.251 -5.309 0.364 554 1HE2 GLN 71 2HE2 GLN 71 -16.207 -4.789 1.385 555 2HE2 GLN 71 1HE2 GLN 71 -16.223 -4.104 3.018 556 H GLU 72 H GLU 72 -16.617 -4.062 -3.025 557 HA GLU 72 HA GLU 72 -16.067 -6.837 -2.413 558 1HB GLU 72 1HB GLU 72 -17.273 -6.702 -4.367 559 2HB GLU 72 2HB GLU 72 -16.755 -5.033 -4.653 560 1HG GLU 72 1HG GLU 72 -14.702 -5.702 -5.662 561 2HG GLU 72 2HG GLU 72 -15.069 -7.426 -5.389 562 H ALA 73 H ALA 73 -14.305 -3.999 -3.555 563 HA ALA 73 HA ALA 73 -11.839 -5.157 -4.359 564 1HB ALA 73 1HB ALA 73 -12.744 -2.465 -3.254 565 2HB ALA 73 2HB ALA 73 -11.189 -2.716 -4.096 566 3HB ALA 73 3HB ALA 73 -12.742 -2.922 -4.964 567 H LEU 74 H LEU 74 -12.813 -3.310 -1.501 568 HA LEU 74 HA LEU 74 -10.443 -3.830 -0.009 569 1HB LEU 74 1HB LEU 74 -11.696 -2.784 1.851 570 2HB LEU 74 2HB LEU 74 -11.760 -1.877 0.325 571 HG LEU 74 HG LEU 74 -14.011 -3.527 0.192 572 1HD1 LEU 74 1HD1 LEU 74 -13.635 -2.281 2.945 573 2HD1 LEU 74 2HD1 LEU 74 -15.161 -2.945 2.313 574 3HD1 LEU 74 3HD1 LEU 74 -13.758 -4.019 2.579 575 1HD2 LEU 74 1HD2 LEU 74 -13.692 -0.594 1.012 576 2HD2 LEU 74 2HD2 LEU 74 -13.776 -1.231 -0.642 577 3HD2 LEU 74 3HD2 LEU 74 -15.186 -1.359 0.417 578 H GLU 75 H GLU 75 -13.706 -5.434 0.126 579 HA GLU 75 HA GLU 75 -12.941 -7.160 2.250 580 1HB GLU 75 1HB GLU 75 -15.122 -7.114 0.197 581 2HB GLU 75 2HB GLU 75 -14.798 -8.637 1.070 582 1HG GLU 75 1HG GLU 75 -14.870 -7.376 3.222 583 2HG GLU 75 2HG GLU 75 -15.352 -5.921 2.322 584 H LYS 76 H LYS 76 -12.851 -7.805 -1.349 585 HA LYS 76 HA LYS 76 -11.882 -10.449 -0.979 586 1HB LYS 76 1HB LYS 76 -11.368 -10.476 -3.251 587 2HB LYS 76 2HB LYS 76 -12.777 -9.395 -3.129 588 1HG LYS 76 1HG LYS 76 -11.449 -7.467 -3.550 589 2HG LYS 76 2HG LYS 76 -9.958 -8.311 -3.082 590 1HD LYS 76 1HD LYS 76 -10.204 -9.871 -4.998 591 2HD LYS 76 2HD LYS 76 -11.552 -8.890 -5.614 592 1HE LYS 76 1HE LYS 76 -10.086 -6.957 -5.861 593 2HE LYS 76 2HE LYS 76 -8.762 -7.794 -5.028 594 1HZ LYS 76 1HZ LYS 76 -9.973 -8.659 -7.561 595 2HZ LYS 76 2HZ LYS 76 -8.584 -7.776 -7.423 596 3HZ LYS 76 3HZ LYS 76 -8.645 -9.315 -6.828 597 H LEU 77 H LEU 77 -10.191 -7.351 -1.462 598 HA LEU 77 HA LEU 77 -7.541 -8.227 -1.430 599 1HB LEU 77 1HB LEU 77 -9.152 -5.806 -1.033 600 2HB LEU 77 2HB LEU 77 -7.627 -5.787 -0.102 601 HG LEU 77 HG LEU 77 -7.602 -4.952 -2.620 602 1HD1 LEU 77 1HD1 LEU 77 -5.806 -5.161 -0.938 603 2HD1 LEU 77 2HD1 LEU 77 -5.702 -6.911 -1.302 604 3HD1 LEU 77 3HD1 LEU 77 -5.270 -5.710 -2.556 605 1HD2 LEU 77 1HD2 LEU 77 -7.033 -7.959 -2.757 606 2HD2 LEU 77 2HD2 LEU 77 -8.422 -7.182 -3.572 607 3HD2 LEU 77 3HD2 LEU 77 -6.741 -6.799 -4.051 608 H ALA 78 H ALA 78 -9.416 -6.987 1.420 609 HA ALA 78 HA ALA 78 -7.475 -7.651 3.338 610 1HB ALA 78 1HB ALA 78 -9.457 -6.241 3.800 611 2HB ALA 78 2HB ALA 78 -10.496 -7.682 3.637 612 3HB ALA 78 3HB ALA 78 -9.314 -7.573 4.964 613 H ALA 79 H ALA 79 -9.992 -9.735 1.838 614 HA ALA 79 HA ALA 79 -9.712 -11.932 3.651 615 1HB ALA 79 1HB ALA 79 -11.547 -11.644 1.971 616 2HB ALA 79 2HB ALA 79 -10.346 -11.876 0.673 617 3HB ALA 79 3HB ALA 79 -10.712 -13.211 1.793 618 H TYR 80 H TYR 80 -8.177 -11.106 0.500 619 HA TYR 80 HA TYR 80 -6.638 -13.530 0.461 620 1HB TYR 80 1HB TYR 80 -7.455 -12.355 -1.507 621 2HB TYR 80 2HB TYR 80 -6.453 -10.951 -1.121 622 HD1 TYR 80 HD1 TYR 80 -4.325 -10.736 -1.968 623 HD2 TYR 80 HD2 TYR 80 -5.995 -14.668 -1.511 624 HE1 TYR 80 HE1 TYR 80 -2.044 -11.735 -2.164 625 HE2 TYR 80 HE2 TYR 80 -3.732 -15.660 -1.682 626 HH TYR 80 HH TYR 80 -1.483 -15.191 -1.511 627 H VAL 81 H VAL 81 -5.792 -10.163 1.282 628 HA VAL 81 HA VAL 81 -2.987 -10.352 1.111 629 HB VAL 81 HB VAL 81 -3.118 -8.298 2.560 630 1HG1 VAL 81 1HG2 VAL 81 -3.576 -8.254 0.095 631 2HG1 VAL 81 2HG2 VAL 81 -5.298 -8.532 0.448 632 3HG1 VAL 81 3HG2 VAL 81 -4.516 -7.019 0.983 633 1HG2 VAL 81 1HG1 VAL 81 -4.982 -9.193 4.004 634 2HG2 VAL 81 2HG1 VAL 81 -5.368 -7.584 3.350 635 3HG2 VAL 81 3HG1 VAL 81 -6.087 -9.047 2.631 636 H GLN 82 H GLN 82 -5.170 -11.466 3.557 637 HA GLN 82 HA GLN 82 -2.967 -11.960 5.461 638 1HB GLN 82 1HB GLN 82 -4.734 -11.884 7.034 639 2HB GLN 82 2HB GLN 82 -4.956 -10.512 5.956 640 1HG GLN 82 1HG GLN 82 -6.791 -11.739 4.791 641 2HG GLN 82 2HG GLN 82 -6.429 -13.168 5.740 642 1HE2 GLN 82 2HE2 GLN 82 -8.537 -10.747 5.530 643 2HE2 GLN 82 1HE2 GLN 82 -8.989 -10.438 7.201 644 H GLU 83 H GLU 83 -4.827 -13.692 3.141 645 HA GLU 83 HA GLU 83 -5.778 -15.705 4.983 646 1HB GLU 83 1HB GLU 83 -6.984 -16.593 3.038 647 2HB GLU 83 2HB GLU 83 -7.173 -14.830 3.306 648 1HG GLU 83 1HG GLU 83 -7.003 -15.172 0.967 649 2HG GLU 83 2HG GLU 83 -5.517 -14.383 1.523 650 H GLU 84 H GLU 84 -2.800 -15.736 4.617 651 HA GLU 84 HA GLU 84 -2.563 -18.538 4.764 652 1HB GLU 84 1HB GLU 84 -1.225 -19.032 2.780 653 2HB GLU 84 2HB GLU 84 -2.837 -18.450 2.346 654 1HG GLU 84 1HG GLU 84 -1.839 -16.163 1.943 655 2HG GLU 84 2HG GLU 84 -0.239 -16.889 2.165 656 H VAL 85 H VAL 85 0.311 -17.661 3.432 657 HA VAL 85 HA VAL 85 1.321 -15.771 5.448 658 HB VAL 85 HB VAL 85 1.612 -17.891 6.715 659 1HG1 VAL 85 1HG1 VAL 85 3.091 -19.124 4.285 660 2HG1 VAL 85 2HG1 VAL 85 3.003 -19.831 5.918 661 3HG1 VAL 85 3HG1 VAL 85 1.541 -19.678 4.961 662 1HG2 VAL 85 1HG2 VAL 85 3.570 -16.285 6.808 663 2HG2 VAL 85 2HG2 VAL 85 4.075 -17.964 7.029 664 3HG2 VAL 85 3HG2 VAL 85 4.350 -17.154 5.465 Start of MODEL 24 1 1H VAL 2 1H VAL 2 -16.271 6.322 -2.524 2 2H VAL 2 2H VAL 2 -16.912 5.052 -3.421 3 3H VAL 2 3H VAL 2 -17.862 6.392 -3.061 4 HA VAL 2 HA VAL 2 -17.811 5.907 -0.764 5 HB VAL 2 HB VAL 2 -19.130 3.836 -0.777 6 1HG1 VAL 2 1HG2 VAL 2 -20.141 5.979 -1.477 7 2HG1 VAL 2 2HG2 VAL 2 -19.660 5.657 -3.160 8 3HG1 VAL 2 3HG2 VAL 2 -20.857 4.610 -2.360 9 1HG2 VAL 2 1HG1 VAL 2 -18.273 3.626 -3.694 10 2HG2 VAL 2 2HG1 VAL 2 -17.807 2.523 -2.383 11 3HG2 VAL 2 3HG1 VAL 2 -19.509 2.622 -2.895 12 H GLN 3 H GLN 3 -16.825 5.004 0.989 13 HA GLN 3 HA GLN 3 -14.570 3.163 0.367 14 1HB GLN 3 1HB GLN 3 -13.911 5.558 0.764 15 2HB GLN 3 2HB GLN 3 -14.669 5.454 2.367 16 1HG GLN 3 1HG GLN 3 -13.128 3.532 2.892 17 2HG GLN 3 2HG GLN 3 -12.253 3.851 1.387 18 1HE2 GLN 3 2HE2 GLN 3 -12.931 6.915 1.892 19 2HE2 GLN 3 1HE2 GLN 3 -11.664 7.332 3.026 20 H GLN 4 H GLN 4 -14.444 1.405 1.578 21 HA GLN 4 HA GLN 4 -15.446 1.346 4.341 22 1HB GLN 4 1HB GLN 4 -16.527 -0.401 2.105 23 2HB GLN 4 2HB GLN 4 -16.466 -0.981 3.779 24 1HG GLN 4 1HG GLN 4 -17.862 1.576 2.906 25 2HG GLN 4 2HG GLN 4 -18.658 0.021 3.238 26 1HE2 GLN 4 2HE2 GLN 4 -16.956 2.770 4.662 27 2HE2 GLN 4 1HE2 GLN 4 -17.385 2.396 6.333 28 H LYS 5 H LYS 5 -14.569 -0.814 5.388 29 HA LYS 5 HA LYS 5 -12.442 -2.075 3.877 30 1HB LYS 5 1HB LYS 5 -10.735 -1.458 5.590 31 2HB LYS 5 2HB LYS 5 -11.200 -0.152 4.493 32 1HG LYS 5 1HG LYS 5 -12.551 -0.406 7.191 33 2HG LYS 5 2HG LYS 5 -10.943 0.332 7.039 34 1HD LYS 5 1HD LYS 5 -11.915 1.813 5.193 35 2HD LYS 5 2HD LYS 5 -13.517 1.290 5.763 36 1HE LYS 5 1HE LYS 5 -11.324 2.639 7.411 37 2HE LYS 5 2HE LYS 5 -12.821 3.406 6.847 38 1HZ LYS 5 1HZ LYS 5 -14.041 1.826 8.185 39 2HZ LYS 5 2HZ LYS 5 -12.635 1.152 8.725 40 3HZ LYS 5 3HZ LYS 5 -13.000 2.711 9.110 41 H VAL 6 H VAL 6 -11.575 -3.873 4.919 42 HA VAL 6 HA VAL 6 -12.905 -4.705 7.450 43 HB VAL 6 HB VAL 6 -12.893 -7.067 6.442 44 1HG1 VAL 6 1HG1 VAL 6 -14.722 -4.914 5.306 45 2HG1 VAL 6 2HG1 VAL 6 -15.082 -6.656 5.353 46 3HG1 VAL 6 3HG1 VAL 6 -14.920 -5.738 6.871 47 1HG2 VAL 6 1HG2 VAL 6 -11.505 -6.549 4.438 48 2HG2 VAL 6 2HG2 VAL 6 -13.109 -7.176 3.982 49 3HG2 VAL 6 3HG2 VAL 6 -12.767 -5.433 3.867 50 H GLU 7 H GLU 7 -11.436 -5.424 8.971 51 HA GLU 7 HA GLU 7 -8.642 -5.338 8.052 52 1HB GLU 7 1HB GLU 7 -9.287 -3.985 9.981 53 2HB GLU 7 2HB GLU 7 -9.867 -5.414 10.861 54 1HG GLU 7 1HG GLU 7 -7.640 -6.250 11.125 55 2HG GLU 7 2HG GLU 7 -7.001 -5.137 9.900 56 H VAL 8 H VAL 8 -7.081 -6.723 8.532 57 HA VAL 8 HA VAL 8 -7.665 -9.480 9.381 58 HB VAL 8 HB VAL 8 -6.561 -10.277 7.197 59 1HG1 VAL 8 1HG1 VAL 8 -9.296 -8.962 7.134 60 2HG1 VAL 8 2HG1 VAL 8 -8.695 -10.204 5.988 61 3HG1 VAL 8 3HG1 VAL 8 -8.901 -10.608 7.707 62 1HG2 VAL 8 1HG2 VAL 8 -7.404 -7.466 6.361 63 2HG2 VAL 8 2HG2 VAL 8 -5.737 -8.089 6.402 64 3HG2 VAL 8 3HG2 VAL 8 -6.906 -8.766 5.240 65 H ARG 9 H ARG 9 -5.423 -10.773 9.125 66 HA ARG 9 HA ARG 9 -3.428 -8.810 10.098 67 1HB ARG 9 1HB ARG 9 -3.498 -10.796 11.451 68 2HB ARG 9 2HB ARG 9 -3.226 -11.856 10.035 69 1HG ARG 9 1HG ARG 9 -1.310 -9.610 10.536 70 2HG ARG 9 2HG ARG 9 -1.183 -10.990 11.603 71 1HD ARG 9 1HD ARG 9 -1.199 -11.159 8.526 72 2HD ARG 9 2HD ARG 9 0.267 -11.115 9.510 73 HE ARG 9 HE ARG 9 -0.120 -13.284 10.252 74 1HH1 ARG 9 2HH1 ARG 9 -2.806 -12.228 8.174 75 2HH1 ARG 9 1HH1 ARG 9 -3.170 -13.848 7.634 76 1HH2 ARG 9 1HH2 ARG 9 -0.486 -15.352 9.366 77 2HH2 ARG 9 2HH2 ARG 9 -1.649 -15.589 8.095 78 H LEU 10 H LEU 10 -1.987 -8.001 8.916 79 HA LEU 10 HA LEU 10 -1.790 -8.209 6.142 80 1HB LEU 10 1HB LEU 10 -1.323 -6.316 7.675 81 2HB LEU 10 2HB LEU 10 0.096 -7.168 8.302 82 HG LEU 10 HG LEU 10 1.234 -6.957 6.182 83 1HD1 LEU 10 1HD2 LEU 10 -1.345 -5.627 5.215 84 2HD1 LEU 10 2HD2 LEU 10 0.186 -5.735 4.308 85 3HD1 LEU 10 3HD2 LEU 10 -0.734 -7.213 4.679 86 1HD2 LEU 10 1HD1 LEU 10 1.145 -5.141 7.898 87 2HD2 LEU 10 2HD1 LEU 10 1.386 -4.509 6.255 88 3HD2 LEU 10 3HD1 LEU 10 -0.221 -4.401 7.024 89 H LYS 11 H LYS 11 -1.606 -10.637 6.153 90 HA LYS 11 HA LYS 11 0.704 -12.098 6.935 91 1HB LYS 11 1HB LYS 11 -1.496 -12.990 6.742 92 2HB LYS 11 2HB LYS 11 -1.604 -12.514 5.043 93 1HG LYS 11 1HG LYS 11 0.653 -14.314 5.858 94 2HG LYS 11 2HG LYS 11 -0.987 -14.980 5.823 95 1HD LYS 11 1HD LYS 11 0.641 -13.847 3.536 96 2HD LYS 11 2HD LYS 11 -0.318 -15.351 3.603 97 1HE LYS 11 1HE LYS 11 -2.195 -13.397 4.136 98 2HE LYS 11 2HE LYS 11 -1.103 -12.534 3.072 99 1HZ LYS 11 1HZ LYS 11 -1.380 -14.206 1.398 100 2HZ LYS 11 2HZ LYS 11 -2.473 -15.010 2.336 101 3HZ LYS 11 3HZ LYS 11 -2.795 -13.501 1.798 102 H THR 12 H THR 12 0.005 -10.177 4.160 103 HA THR 12 HA THR 12 2.208 -11.324 2.568 104 HB THR 12 HB THR 12 1.284 -9.378 1.007 105 HG1 THR 12 HG1 THR 12 -0.971 -10.005 2.659 106 1HG2 THR 12 1HG2 THR 12 -0.273 -11.924 1.693 107 2HG2 THR 12 2HG2 THR 12 -0.370 -11.035 0.153 108 3HG2 THR 12 3HG2 THR 12 1.143 -11.841 0.625 109 H GLY 13 H GLY 13 1.802 -8.898 4.900 110 1HA GLY 13 1HA GLY 13 2.717 -6.827 5.336 111 2HA GLY 13 2HA GLY 13 4.132 -7.888 5.427 112 H LEU 14 H LEU 14 2.307 -6.828 2.661 113 HA LEU 14 HA LEU 14 2.985 -6.099 0.614 114 1HB LEU 14 1HB LEU 14 3.479 -3.997 2.653 115 2HB LEU 14 2HB LEU 14 3.940 -3.641 0.982 116 HG LEU 14 HG LEU 14 1.544 -3.023 1.695 117 1HD1 LEU 14 1HD1 LEU 14 2.306 -3.162 -0.671 118 2HD1 LEU 14 2HD1 LEU 14 1.797 -4.867 -0.703 119 3HD1 LEU 14 3HD1 LEU 14 0.594 -3.577 -0.456 120 1HD2 LEU 14 1HD2 LEU 14 0.998 -5.159 2.851 121 2HD2 LEU 14 2HD2 LEU 14 -0.144 -4.815 1.528 122 3HD2 LEU 14 3HD2 LEU 14 1.145 -6.022 1.301 123 H GLN 15 H GLN 15 4.759 -7.962 1.398 124 HA GLN 15 HA GLN 15 7.471 -6.974 1.118 125 1HB GLN 15 1HB GLN 15 6.284 -9.752 1.305 126 2HB GLN 15 2HB GLN 15 8.040 -9.390 1.406 127 1HG GLN 15 1HG GLN 15 6.180 -7.646 2.931 128 2HG GLN 15 2HG GLN 15 6.386 -9.300 3.576 129 1HE2 GLN 15 2HE2 GLN 15 7.955 -9.498 5.013 130 2HE2 GLN 15 1HE2 GLN 15 9.426 -8.506 5.131 131 H ALA 16 H ALA 16 6.541 -6.012 -0.942 132 HA ALA 16 HA ALA 16 6.817 -5.712 -3.210 133 1HB ALA 16 1HB ALA 16 9.142 -6.308 -2.728 134 2HB ALA 16 2HB ALA 16 8.753 -8.033 -2.930 135 3HB ALA 16 3HB ALA 16 8.648 -6.928 -4.322 136 H ARG 17 H ARG 17 7.056 -9.286 -3.009 137 HA ARG 17 HA ARG 17 5.468 -9.599 -5.410 138 1HB ARG 17 1HB ARG 17 6.331 -11.637 -3.341 139 2HB ARG 17 2HB ARG 17 5.626 -12.012 -4.926 140 1HG ARG 17 1HG ARG 17 8.226 -10.473 -4.490 141 2HG ARG 17 2HG ARG 17 8.101 -12.198 -4.879 142 1HD ARG 17 1HD ARG 17 8.538 -11.148 -6.937 143 2HD ARG 17 2HD ARG 17 6.812 -11.517 -6.985 144 HE ARG 17 HE ARG 17 8.084 -8.847 -6.540 145 1HH1 ARG 17 2HH1 ARG 17 5.212 -10.757 -7.332 146 2HH1 ARG 17 1HH1 ARG 17 4.284 -9.389 -7.873 147 1HH2 ARG 17 1HH2 ARG 17 6.880 -7.054 -7.253 148 2HH2 ARG 17 2HH2 ARG 17 5.253 -7.249 -7.836 149 HA PRO 18 HA PRO 18 2.032 -11.288 -2.494 150 1HB PRO 18 1HB PRO 18 2.222 -10.663 0.201 151 2HB PRO 18 2HB PRO 18 2.897 -12.159 -0.515 152 1HG PRO 18 1HG PRO 18 4.357 -9.580 0.080 153 2HG PRO 18 2HG PRO 18 4.847 -11.252 0.481 154 1HD PRO 18 1HD PRO 18 5.827 -10.010 -1.724 155 2HD PRO 18 2HD PRO 18 5.384 -11.738 -1.777 156 H ALA 19 H ALA 19 3.657 -8.365 -1.392 157 HA ALA 19 HA ALA 19 1.470 -6.653 -0.909 158 1HB ALA 19 1HB ALA 19 3.877 -6.245 -0.473 159 2HB ALA 19 2HB ALA 19 4.144 -6.092 -2.229 160 3HB ALA 19 3HB ALA 19 3.097 -4.911 -1.377 161 H ALA 20 H ALA 20 3.309 -7.400 -3.897 162 HA ALA 20 HA ALA 20 2.139 -5.546 -5.651 163 1HB ALA 20 1HB ALA 20 4.136 -6.935 -6.149 164 2HB ALA 20 2HB ALA 20 3.108 -8.387 -6.176 165 3HB ALA 20 3HB ALA 20 2.882 -7.118 -7.407 166 H LEU 21 H LEU 21 1.224 -8.909 -4.843 167 HA LEU 21 HA LEU 21 -1.098 -9.034 -6.473 168 1HB LEU 21 1HB LEU 21 0.125 -10.872 -5.199 169 2HB LEU 21 2HB LEU 21 -0.788 -10.370 -3.764 170 HG LEU 21 HG LEU 21 -1.801 -12.290 -5.024 171 1HD1 LEU 21 1HD2 LEU 21 -3.237 -10.823 -3.660 172 2HD1 LEU 21 2HD2 LEU 21 -3.473 -9.748 -5.059 173 3HD1 LEU 21 3HD2 LEU 21 -4.100 -11.411 -5.098 174 1HD2 LEU 21 1HD1 LEU 21 -1.095 -11.554 -7.284 175 2HD2 LEU 21 2HD1 LEU 21 -2.848 -11.853 -7.209 176 3HD2 LEU 21 3HD1 LEU 21 -2.228 -10.184 -7.186 177 H PHE 22 H PHE 22 -0.694 -7.991 -3.079 178 HA PHE 22 HA PHE 22 -3.397 -7.429 -2.428 179 1HB PHE 22 1HB PHE 22 -1.757 -7.521 -0.688 180 2HB PHE 22 2HB PHE 22 -0.713 -6.373 -1.544 181 HD1 PHE 22 HD1 PHE 22 -4.337 -6.215 -0.515 182 HD2 PHE 22 HD2 PHE 22 -0.435 -4.409 -0.464 183 HE1 PHE 22 HE1 PHE 22 -5.293 -4.175 0.534 184 HE2 PHE 22 HE2 PHE 22 -1.395 -2.351 0.538 185 HZ PHE 22 HZ PHE 22 -3.814 -2.263 1.109 186 H VAL 23 H VAL 23 -0.893 -4.987 -3.168 187 HA VAL 23 HA VAL 23 -2.563 -2.786 -3.561 188 HB VAL 23 HB VAL 23 0.145 -3.573 -4.679 189 1HG1 VAL 23 1HG2 VAL 23 -0.883 -1.964 -6.249 190 2HG1 VAL 23 2HG2 VAL 23 -1.232 -0.866 -4.893 191 3HG1 VAL 23 3HG2 VAL 23 0.451 -1.222 -5.336 192 1HG2 VAL 23 1HG1 VAL 23 -0.787 -1.588 -2.546 193 2HG2 VAL 23 2HG1 VAL 23 -0.021 -3.164 -2.238 194 3HG2 VAL 23 3HG1 VAL 23 0.898 -1.862 -3.029 195 H GLN 24 H GLN 24 -1.409 -5.200 -5.967 196 HA GLN 24 HA GLN 24 -2.485 -4.230 -8.302 197 1HB GLN 24 1HB GLN 24 -1.092 -6.212 -8.174 198 2HB GLN 24 2HB GLN 24 -2.304 -7.044 -7.179 199 1HG GLN 24 1HG GLN 24 -3.635 -6.158 -9.517 200 2HG GLN 24 2HG GLN 24 -2.127 -6.913 -10.061 201 1HE2 GLN 24 2HE2 GLN 24 -3.528 -8.139 -6.999 202 2HE2 GLN 24 1HE2 GLN 24 -4.159 -9.593 -7.728 203 H GLU 25 H GLU 25 -4.180 -6.486 -6.023 204 HA GLU 25 HA GLU 25 -6.556 -6.232 -7.672 205 1HB GLU 25 1HB GLU 25 -7.584 -7.738 -5.937 206 2HB GLU 25 2HB GLU 25 -6.125 -8.407 -6.695 207 1HG GLU 25 1HG GLU 25 -4.767 -7.808 -4.775 208 2HG GLU 25 2HG GLU 25 -6.123 -6.926 -4.040 209 H ALA 26 H ALA 26 -5.438 -4.792 -4.652 210 HA ALA 26 HA ALA 26 -7.895 -3.577 -3.864 211 1HB ALA 26 1HB ALA 26 -5.768 -3.584 -2.550 212 2HB ALA 26 2HB ALA 26 -5.044 -2.510 -3.776 213 3HB ALA 26 3HB ALA 26 -6.401 -1.933 -2.775 214 H ASN 27 H ASN 27 -5.378 -2.734 -6.180 215 HA ASN 27 HA ASN 27 -6.381 -0.216 -7.161 216 1HB ASN 27 1HB ASN 27 -4.364 -2.328 -7.782 217 2HB ASN 27 2HB ASN 27 -4.963 -1.438 -9.177 218 1HD2 ASN 27 2HD2 ASN 27 -2.932 -1.311 -6.403 219 2HD2 ASN 27 1HD2 ASN 27 -2.302 0.327 -6.571 220 H ARG 28 H ARG 28 -6.615 -3.591 -8.052 221 HA ARG 28 HA ARG 28 -7.573 -3.591 -10.606 222 1HB ARG 28 1HB ARG 28 -7.639 -5.425 -8.248 223 2HB ARG 28 2HB ARG 28 -8.582 -5.846 -9.677 224 1HG ARG 28 1HG ARG 28 -6.570 -5.557 -11.112 225 2HG ARG 28 2HG ARG 28 -5.609 -5.219 -9.659 226 1HD ARG 28 1HD ARG 28 -5.458 -7.620 -10.442 227 2HD ARG 28 2HD ARG 28 -6.050 -7.451 -8.776 228 HE ARG 28 HE ARG 28 -8.358 -7.487 -10.250 229 1HH1 ARG 28 2HH1 ARG 28 -5.494 -9.572 -10.213 230 2HH1 ARG 28 1HH1 ARG 28 -6.385 -11.033 -10.528 231 1HH2 ARG 28 1HH2 ARG 28 -9.526 -9.392 -10.715 232 2HH2 ARG 28 2HH2 ARG 28 -8.714 -10.928 -10.845 233 H PHE 29 H PHE 29 -9.436 -1.742 -8.921 234 HA PHE 29 HA PHE 29 -11.857 -2.840 -10.204 235 1HB PHE 29 1HB PHE 29 -11.471 -2.086 -7.316 236 2HB PHE 29 2HB PHE 29 -13.049 -1.837 -8.108 237 HD1 PHE 29 HD1 PHE 29 -12.992 -4.251 -9.950 238 HD2 PHE 29 HD2 PHE 29 -12.079 -3.800 -5.767 239 HE1 PHE 29 HE1 PHE 29 -13.759 -6.573 -9.536 240 HE2 PHE 29 HE2 PHE 29 -12.857 -6.127 -5.351 241 HZ PHE 29 HZ PHE 29 -13.732 -7.497 -7.226 242 H THR 30 H THR 30 -11.461 -0.066 -8.044 243 HA THR 30 HA THR 30 -11.136 1.918 -10.128 244 HB THR 30 HB THR 30 -13.337 3.056 -9.445 245 HG1 THR 30 HG1 THR 30 -14.136 0.399 -8.831 246 1HG2 THR 30 1HG2 THR 30 -14.717 1.749 -11.061 247 2HG2 THR 30 2HG2 THR 30 -13.087 2.121 -11.671 248 3HG2 THR 30 3HG2 THR 30 -13.449 0.492 -11.072 249 H SER 31 H SER 31 -12.657 1.354 -7.035 250 HA SER 31 HA SER 31 -12.404 3.288 -5.372 251 1HB SER 31 1HB SER 31 -11.282 0.582 -4.655 252 2HB SER 31 2HB SER 31 -12.363 1.615 -3.683 253 HG SER 31 HG SER 31 -13.367 -0.213 -4.804 254 H ASP 32 H ASP 32 -11.060 4.496 -4.199 255 HA ASP 32 HA ASP 32 -8.135 4.125 -4.582 256 1HB ASP 32 1HB ASP 32 -8.937 6.412 -4.860 257 2HB ASP 32 2HB ASP 32 -9.811 6.302 -3.308 258 H VAL 33 H VAL 33 -8.320 2.188 -3.631 259 HA VAL 33 HA VAL 33 -9.412 1.595 -1.090 260 HB VAL 33 HB VAL 33 -8.291 -0.549 -1.378 261 1HG1 VAL 33 1HG2 VAL 33 -9.226 0.748 -3.975 262 2HG1 VAL 33 2HG2 VAL 33 -9.132 -1.008 -3.702 263 3HG1 VAL 33 3HG2 VAL 33 -10.270 -0.007 -2.752 264 1HG2 VAL 33 1HG1 VAL 33 -6.077 0.349 -2.040 265 2HG2 VAL 33 2HG1 VAL 33 -6.658 -0.857 -3.223 266 3HG2 VAL 33 3HG1 VAL 33 -6.755 0.877 -3.602 267 H PHE 34 H PHE 34 -8.279 0.738 0.769 268 HA PHE 34 HA PHE 34 -5.769 2.160 1.357 269 1HB PHE 34 1HB PHE 34 -8.250 2.399 3.102 270 2HB PHE 34 2HB PHE 34 -6.626 3.002 3.465 271 HD1 PHE 34 HD1 PHE 34 -5.612 4.391 1.326 272 HD2 PHE 34 HD2 PHE 34 -9.751 4.099 2.448 273 HE1 PHE 34 HE1 PHE 34 -6.130 6.401 -0.065 274 HE2 PHE 34 HE2 PHE 34 -10.280 6.029 0.962 275 HZ PHE 34 HZ PHE 34 -8.454 7.242 -0.191 276 H LEU 35 H LEU 35 -4.953 1.527 3.540 277 HA LEU 35 HA LEU 35 -5.871 -1.075 4.554 278 1HB LEU 35 1HB LEU 35 -4.149 -1.600 2.856 279 2HB LEU 35 2HB LEU 35 -2.983 -0.540 3.685 280 HG LEU 35 HG LEU 35 -4.420 -2.728 5.206 281 1HD1 LEU 35 1HD2 LEU 35 -1.943 -3.081 3.476 282 2HD1 LEU 35 2HD2 LEU 35 -2.603 -4.288 4.611 283 3HD1 LEU 35 3HD2 LEU 35 -3.541 -3.800 3.180 284 1HD2 LEU 35 1HD1 LEU 35 -3.041 -1.043 6.400 285 2HD2 LEU 35 2HD1 LEU 35 -2.316 -2.665 6.514 286 3HD2 LEU 35 3HD1 LEU 35 -1.647 -1.464 5.376 287 H GLU 36 H GLU 36 -5.930 -0.861 6.742 288 HA GLU 36 HA GLU 36 -4.442 1.496 7.837 289 1HB GLU 36 1HB GLU 36 -6.947 0.877 9.180 290 2HB GLU 36 2HB GLU 36 -6.347 2.423 8.581 291 1HG GLU 36 1HG GLU 36 -7.211 1.995 6.383 292 2HG GLU 36 2HG GLU 36 -7.523 0.302 6.760 293 H LYS 37 H LYS 37 -2.919 0.679 9.178 294 HA LYS 37 HA LYS 37 -2.991 -1.926 10.419 295 1HB LYS 37 1HB LYS 37 -1.334 0.552 11.022 296 2HB LYS 37 2HB LYS 37 -1.022 -1.084 11.646 297 1HG LYS 37 1HG LYS 37 -0.863 -1.916 9.290 298 2HG LYS 37 2HG LYS 37 -1.019 -0.244 8.718 299 1HD LYS 37 1HD LYS 37 1.329 -1.008 8.797 300 2HD LYS 37 2HD LYS 37 1.080 0.365 9.896 301 1HE LYS 37 1HE LYS 37 0.892 -2.516 10.865 302 2HE LYS 37 2HE LYS 37 2.451 -1.695 10.680 303 1HZ LYS 37 1HZ LYS 37 1.699 -0.003 12.173 304 2HZ LYS 37 2HZ LYS 37 0.250 -0.758 12.386 305 3HZ LYS 37 3HZ LYS 37 1.639 -1.484 12.890 306 H ASP 38 H ASP 38 -4.734 -2.299 11.711 307 HA ASP 38 HA ASP 38 -6.320 -2.017 13.315 308 1HB ASP 38 1HB ASP 38 -4.032 -0.663 14.771 309 2HB ASP 38 2HB ASP 38 -5.483 -1.353 15.523 310 H GLY 39 H GLY 39 -6.129 0.061 11.246 311 1HA GLY 39 1HA GLY 39 -7.788 1.946 11.318 312 2HA GLY 39 2HA GLY 39 -7.069 2.361 12.892 313 H LYS 40 H LYS 40 -4.243 1.730 11.677 314 HA LYS 40 HA LYS 40 -3.710 4.451 10.862 315 1HB LYS 40 1HB LYS 40 -1.922 2.028 10.581 316 2HB LYS 40 2HB LYS 40 -1.426 3.722 10.697 317 1HG LYS 40 1HG LYS 40 -2.517 1.920 12.889 318 2HG LYS 40 2HG LYS 40 -0.899 2.617 12.748 319 1HD LYS 40 1HD LYS 40 -1.833 4.019 14.331 320 2HD LYS 40 2HD LYS 40 -2.179 4.935 12.849 321 1HE LYS 40 1HE LYS 40 -4.182 4.760 14.335 322 2HE LYS 40 2HE LYS 40 -4.442 3.927 12.787 323 1HZ LYS 40 1HZ LYS 40 -3.872 1.865 13.882 324 2HZ LYS 40 2HZ LYS 40 -3.696 2.642 15.325 325 3HZ LYS 40 3HZ LYS 40 -5.173 2.563 14.595 326 H LYS 41 H LYS 41 -5.279 4.425 9.049 327 HA LYS 41 HA LYS 41 -4.670 2.634 6.878 328 1HB LYS 41 1HB LYS 41 -6.749 2.847 6.503 329 2HB LYS 41 2HB LYS 41 -6.914 4.046 7.768 330 1HG LYS 41 1HG LYS 41 -6.259 4.535 4.810 331 2HG LYS 41 2HG LYS 41 -7.881 4.652 5.499 332 1HD LYS 41 1HD LYS 41 -7.199 6.527 6.917 333 2HD LYS 41 2HD LYS 41 -5.501 6.353 6.398 334 1HE LYS 41 1HE LYS 41 -7.836 6.928 4.522 335 2HE LYS 41 2HE LYS 41 -6.726 8.165 5.157 336 1HZ LYS 41 1HZ LYS 41 -4.929 6.974 4.106 337 2HZ LYS 41 2HZ LYS 41 -5.982 5.863 3.493 338 3HZ LYS 41 3HZ LYS 41 -6.064 7.428 2.998 339 H VAL 42 H VAL 42 -4.274 3.034 4.826 340 HA VAL 42 HA VAL 42 -3.323 5.626 3.789 341 HB VAL 42 HB VAL 42 -1.327 4.630 4.851 342 1HG1 VAL 42 1HG2 VAL 42 -2.035 2.214 3.135 343 2HG1 VAL 42 2HG2 VAL 42 -0.543 2.376 4.105 344 3HG1 VAL 42 3HG2 VAL 42 -2.135 2.299 4.906 345 1HG2 VAL 42 1HG1 VAL 42 -1.037 5.808 2.742 346 2HG2 VAL 42 2HG1 VAL 42 0.141 4.485 2.945 347 3HG2 VAL 42 3HG1 VAL 42 -1.260 4.266 1.865 348 H ASN 43 H ASN 43 -2.698 5.334 1.476 349 HA ASN 43 HA ASN 43 -4.843 4.012 0.037 350 1HB ASN 43 1HB ASN 43 -2.177 5.113 -0.945 351 2HB ASN 43 2HB ASN 43 -3.585 4.752 -1.953 352 1HD2 ASN 43 2HD2 ASN 43 -5.301 6.316 -2.103 353 2HD2 ASN 43 1HD2 ASN 43 -5.143 7.877 -1.325 354 H ALA 44 H ALA 44 -4.956 2.010 0.235 355 HA ALA 44 HA ALA 44 -2.985 0.095 0.790 356 1HB ALA 44 1HB ALA 44 -5.588 -0.148 -0.797 357 2HB ALA 44 2HB ALA 44 -4.670 -1.540 -0.190 358 3HB ALA 44 3HB ALA 44 -5.411 -0.395 0.953 359 H LYS 45 H LYS 45 -4.308 1.242 -2.188 360 HA LYS 45 HA LYS 45 -2.896 -0.497 -4.014 361 1HB LYS 45 1HB LYS 45 -4.029 0.979 -5.662 362 2HB LYS 45 2HB LYS 45 -5.131 0.482 -4.356 363 1HG LYS 45 1HG LYS 45 -4.254 2.691 -3.178 364 2HG LYS 45 2HG LYS 45 -3.836 3.169 -4.825 365 1HD LYS 45 1HD LYS 45 -6.536 2.524 -3.609 366 2HD LYS 45 2HD LYS 45 -6.055 4.004 -4.455 367 1HE LYS 45 1HE LYS 45 -6.404 1.235 -5.715 368 2HE LYS 45 2HE LYS 45 -7.568 2.560 -5.844 369 1HZ LYS 45 1HZ LYS 45 -5.823 3.836 -6.949 370 2HZ LYS 45 2HZ LYS 45 -4.821 2.524 -6.900 371 3HZ LYS 45 3HZ LYS 45 -6.211 2.459 -7.767 372 H SER 46 H SER 46 -1.887 2.281 -2.245 373 HA SER 46 HA SER 46 -0.016 3.134 -4.359 374 1HB SER 46 1HB SER 46 -0.956 4.598 -1.872 375 2HB SER 46 2HB SER 46 0.067 5.262 -3.168 376 HG SER 46 HG SER 46 -2.061 5.867 -3.586 377 H ILE 47 H ILE 47 2.009 4.009 -3.563 378 HA ILE 47 HA ILE 47 3.751 2.342 -2.353 379 HB ILE 47 HB ILE 47 4.360 4.432 -3.509 380 1HG1 ILE 47 1HG1 ILE 47 5.744 3.059 -1.706 381 2HG1 ILE 47 2HG1 ILE 47 6.416 4.536 -2.387 382 1HG2 ILE 47 1HG2 ILE 47 2.681 5.925 -2.368 383 2HG2 ILE 47 2HG2 ILE 47 3.602 5.768 -0.870 384 3HG2 ILE 47 3HG2 ILE 47 4.330 6.602 -2.256 385 1HD1 ILE 47 1HD1 ILE 47 5.595 5.834 -0.451 386 2HD1 ILE 47 2HD1 ILE 47 4.970 4.331 0.272 387 3HD1 ILE 47 3HD1 ILE 47 6.720 4.539 0.022 388 H MET 48 H MET 48 2.112 5.009 -0.510 389 HA MET 48 HA MET 48 3.426 4.213 1.901 390 1HB MET 48 1HB MET 48 2.670 6.473 1.519 391 2HB MET 48 2HB MET 48 0.991 5.943 1.358 392 1HG MET 48 1HG MET 48 1.140 5.076 3.734 393 2HG MET 48 2HG MET 48 2.795 5.697 3.817 394 1HE MET 48 1HE MET 48 2.411 8.408 2.167 395 2HE MET 48 2HE MET 48 2.181 9.563 3.504 396 3HE MET 48 3HE MET 48 3.397 8.268 3.645 397 H GLY 49 H GLY 49 0.747 2.766 0.203 398 1HA GLY 49 1HA GLY 49 -0.254 1.539 2.664 399 2HA GLY 49 2HA GLY 49 -0.780 1.164 0.994 400 H LEU 50 H LEU 50 1.407 0.498 -0.401 401 HA LEU 50 HA LEU 50 2.333 -2.023 0.290 402 1HB LEU 50 1HB LEU 50 2.733 -0.162 -1.744 403 2HB LEU 50 2HB LEU 50 4.299 -0.207 -0.932 404 HG LEU 50 HG LEU 50 4.667 -1.757 -2.560 405 1HD1 LEU 50 1HD2 LEU 50 5.199 -2.688 -0.317 406 2HD1 LEU 50 2HD2 LEU 50 3.567 -3.376 -0.231 407 3HD1 LEU 50 3HD2 LEU 50 4.707 -3.973 -1.448 408 1HD2 LEU 50 1HD1 LEU 50 2.396 -1.909 -3.449 409 2HD2 LEU 50 2HD1 LEU 50 3.112 -3.523 -3.244 410 3HD2 LEU 50 3HD1 LEU 50 1.911 -2.927 -2.075 411 H MET 51 H MET 51 4.428 0.758 0.196 412 HA MET 51 HA MET 51 6.629 -0.307 1.537 413 1HB MET 51 1HB MET 51 7.211 1.435 0.083 414 2HB MET 51 2HB MET 51 5.647 2.210 0.299 415 1HG MET 51 1HG MET 51 6.982 3.781 1.182 416 2HG MET 51 2HG MET 51 6.471 2.917 2.623 417 1HE MET 51 1HE MET 51 8.160 0.746 3.432 418 2HE MET 51 2HE MET 51 8.633 0.312 1.770 419 3HE MET 51 3HE MET 51 9.884 0.682 2.983 420 H SER 52 H SER 52 4.038 1.965 2.522 421 HA SER 52 HA SER 52 5.368 2.243 5.114 422 1HB SER 52 1HB SER 52 2.757 3.517 4.305 423 2HB SER 52 2HB SER 52 3.842 4.008 5.623 424 HG SER 52 HG SER 52 5.442 4.404 3.964 425 H LEU 53 H LEU 53 1.823 1.778 4.711 426 HA LEU 53 HA LEU 53 1.759 0.721 7.413 427 1HB LEU 53 1HB LEU 53 -0.366 1.136 5.327 428 2HB LEU 53 2HB LEU 53 -0.654 0.390 6.912 429 HG LEU 53 HG LEU 53 -1.125 2.664 7.208 430 1HD1 LEU 53 1HD1 LEU 53 0.180 1.644 9.011 431 2HD1 LEU 53 2HD1 LEU 53 1.691 2.167 8.224 432 3HD1 LEU 53 3HD1 LEU 53 0.551 3.378 8.861 433 1HD2 LEU 53 1HD2 LEU 53 0.035 3.502 5.165 434 2HD2 LEU 53 2HD2 LEU 53 0.397 4.496 6.602 435 3HD2 LEU 53 3HD2 LEU 53 1.591 3.317 6.004 436 H ALA 54 H ALA 54 0.765 -0.634 4.296 437 HA ALA 54 HA ALA 54 0.023 -3.218 5.194 438 1HB ALA 54 1HB ALA 54 -0.861 -2.124 3.173 439 2HB ALA 54 2HB ALA 54 0.759 -2.172 2.443 440 3HB ALA 54 3HB ALA 54 -0.109 -3.686 2.779 441 H VAL 55 H VAL 55 3.229 -1.899 4.534 442 HA VAL 55 HA VAL 55 4.407 -4.460 4.015 443 HB VAL 55 HB VAL 55 5.382 -2.160 3.535 444 1HG1 VAL 55 1HG1 VAL 55 4.989 -1.201 5.805 445 2HG1 VAL 55 2HG1 VAL 55 6.150 -2.371 6.482 446 3HG1 VAL 55 3HG1 VAL 55 6.700 -1.123 5.334 447 1HG2 VAL 55 1HG2 VAL 55 6.659 -4.256 3.325 448 2HG2 VAL 55 2HG2 VAL 55 7.695 -2.938 3.930 449 3HG2 VAL 55 3HG2 VAL 55 7.078 -4.180 5.051 450 H SER 56 H SER 56 2.944 -3.283 6.885 451 HA SER 56 HA SER 56 4.843 -4.544 8.656 452 1HB SER 56 1HB SER 56 2.004 -3.644 9.243 453 2HB SER 56 2HB SER 56 3.309 -3.877 10.417 454 HG SER 56 HG SER 56 3.143 -1.929 8.333 455 H THR 57 H THR 57 4.714 -6.626 7.302 456 HA THR 57 HA THR 57 2.831 -8.528 7.288 457 HB THR 57 HB THR 57 5.594 -9.072 8.410 458 HG1 THR 57 HG1 THR 57 5.886 -9.239 5.928 459 1HG2 THR 57 1HG2 THR 57 3.835 -10.577 6.429 460 2HG2 THR 57 2HG2 THR 57 5.389 -11.114 7.077 461 3HG2 THR 57 3HG2 THR 57 3.982 -10.977 8.167 462 H GLY 58 H GLY 58 1.450 -9.351 8.682 463 1HA GLY 58 1HA GLY 58 0.895 -10.627 10.638 464 2HA GLY 58 2HA GLY 58 2.342 -9.994 11.433 465 H THR 59 H THR 59 0.897 -7.234 10.073 466 HA THR 59 HA THR 59 -0.300 -6.846 12.730 467 HB THR 59 HB THR 59 -0.010 -4.717 10.550 468 HG1 THR 59 HG1 THR 59 2.026 -5.704 10.965 469 1HG2 THR 59 1HG2 THR 59 0.112 -3.178 12.479 470 2HG2 THR 59 2HG2 THR 59 -1.379 -4.147 12.537 471 3HG2 THR 59 3HG2 THR 59 -0.005 -4.558 13.592 472 H GLU 60 H GLU 60 -2.506 -6.495 13.078 473 HA GLU 60 HA GLU 60 -4.241 -7.239 10.880 474 1HB GLU 60 1HB GLU 60 -5.093 -5.888 13.456 475 2HB GLU 60 2HB GLU 60 -6.021 -7.003 12.404 476 1HG GLU 60 1HG GLU 60 -3.505 -7.905 13.833 477 2HG GLU 60 2HG GLU 60 -5.106 -7.983 14.587 478 H VAL 61 H VAL 61 -4.665 -5.916 9.251 479 HA VAL 61 HA VAL 61 -4.943 -3.010 9.800 480 HB VAL 61 HB VAL 61 -3.881 -2.626 7.552 481 1HG1 VAL 61 1HG1 VAL 61 -2.223 -4.228 9.550 482 2HG1 VAL 61 2HG1 VAL 61 -1.563 -3.155 8.292 483 3HG1 VAL 61 3HG1 VAL 61 -2.526 -2.477 9.627 484 1HG2 VAL 61 1HG2 VAL 61 -4.294 -4.906 6.627 485 2HG2 VAL 61 2HG2 VAL 61 -2.559 -4.466 6.583 486 3HG2 VAL 61 3HG2 VAL 61 -3.168 -5.568 7.845 487 H THR 62 H THR 62 -6.655 -2.052 8.818 488 HA THR 62 HA THR 62 -8.670 -3.900 7.742 489 HB THR 62 HB THR 62 -8.882 -0.911 8.279 490 HG1 THR 62 HG1 THR 62 -8.317 -2.230 10.176 491 1HG2 THR 62 1HG2 THR 62 -11.297 -1.469 8.491 492 2HG2 THR 62 2HG2 THR 62 -10.693 -1.903 6.879 493 3HG2 THR 62 3HG2 THR 62 -10.939 -3.167 8.110 494 H LEU 63 H LEU 63 -8.805 -4.289 5.586 495 HA LEU 63 HA LEU 63 -7.508 -2.437 3.743 496 1HB LEU 63 1HB LEU 63 -8.536 -5.272 3.675 497 2HB LEU 63 2HB LEU 63 -8.277 -4.354 2.179 498 HG LEU 63 HG LEU 63 -6.229 -4.753 4.409 499 1HD1 LEU 63 1HD2 LEU 63 -6.272 -5.667 1.502 500 2HD1 LEU 63 2HD2 LEU 63 -4.946 -5.928 2.658 501 3HD1 LEU 63 3HD2 LEU 63 -6.520 -6.717 2.916 502 1HD2 LEU 63 1HD1 LEU 63 -6.088 -3.210 1.782 503 2HD2 LEU 63 2HD1 LEU 63 -6.085 -2.502 3.410 504 3HD2 LEU 63 3HD1 LEU 63 -4.714 -3.502 2.874 505 H ILE 64 H ILE 64 -8.463 -0.924 2.951 506 HA ILE 64 HA ILE 64 -11.410 -0.626 2.874 507 HB ILE 64 HB ILE 64 -9.149 1.361 2.366 508 1HG1 ILE 64 1HG1 ILE 64 -10.711 0.925 4.925 509 2HG1 ILE 64 2HG1 ILE 64 -8.948 0.772 4.695 510 1HG2 ILE 64 1HG2 ILE 64 -12.114 1.753 2.874 511 2HG2 ILE 64 2HG2 ILE 64 -10.915 3.063 2.717 512 3HG2 ILE 64 3HG2 ILE 64 -11.258 1.994 1.335 513 1HD1 ILE 64 1HD1 ILE 64 -8.897 3.197 4.005 514 2HD1 ILE 64 2HD1 ILE 64 -10.637 3.290 4.312 515 3HD1 ILE 64 3HD1 ILE 64 -9.518 2.992 5.666 516 H ALA 65 H ALA 65 -12.361 0.233 0.999 517 HA ALA 65 HA ALA 65 -10.746 0.792 -1.350 518 1HB ALA 65 1HB ALA 65 -13.075 -1.172 -1.410 519 2HB ALA 65 2HB ALA 65 -12.253 -0.506 -2.842 520 3HB ALA 65 3HB ALA 65 -11.374 -1.590 -1.733 521 H GLN 66 H GLN 66 -11.389 2.516 -2.216 522 HA GLN 66 HA GLN 66 -14.019 3.557 -1.356 523 1HB GLN 66 1HB GLN 66 -12.187 4.214 0.123 524 2HB GLN 66 2HB GLN 66 -11.179 4.723 -1.229 525 1HG GLN 66 1HG GLN 66 -13.787 6.112 -0.977 526 2HG GLN 66 2HG GLN 66 -12.630 6.339 0.356 527 1HE2 GLN 66 2HE2 GLN 66 -10.183 6.030 -1.268 528 2HE2 GLN 66 1HE2 GLN 66 -10.041 7.581 -2.068 529 H GLY 67 H GLY 67 -14.599 2.775 -3.456 530 1HA GLY 67 1HA GLY 67 -14.436 4.874 -5.457 531 2HA GLY 67 2HA GLY 67 -13.578 3.386 -5.921 532 H GLU 68 H GLU 68 -14.968 2.654 -7.535 533 HA GLU 68 HA GLU 68 -17.848 2.623 -7.130 534 1HB GLU 68 1HB GLU 68 -16.203 1.137 -9.200 535 2HB GLU 68 2HB GLU 68 -17.914 1.613 -9.298 536 1HG GLU 68 1HG GLU 68 -15.488 3.456 -9.280 537 2HG GLU 68 2HG GLU 68 -16.544 3.124 -10.672 538 H ASP 69 H ASP 69 -15.064 0.482 -6.518 539 HA ASP 69 HA ASP 69 -16.977 -1.730 -5.889 540 1HB ASP 69 1HB ASP 69 -14.043 -2.003 -6.503 541 2HB ASP 69 2HB ASP 69 -15.249 -3.283 -6.375 542 H GLU 70 H GLU 70 -16.827 0.283 -4.017 543 HA GLU 70 HA GLU 70 -14.626 0.338 -2.309 544 1HB GLU 70 1HB GLU 70 -16.479 1.890 -2.158 545 2HB GLU 70 2HB GLU 70 -17.637 0.550 -1.974 546 1HG GLU 70 1HG GLU 70 -16.111 0.061 0.183 547 2HG GLU 70 2HG GLU 70 -15.908 1.825 0.070 548 H GLN 71 H GLN 71 -17.617 -1.276 -1.262 549 HA GLN 71 HA GLN 71 -16.496 -3.096 0.476 550 1HB GLN 71 1HB GLN 71 -19.026 -2.954 -1.127 551 2HB GLN 71 2HB GLN 71 -18.622 -4.500 -0.343 552 1HG GLN 71 1HG GLN 71 -18.713 -1.813 1.076 553 2HG GLN 71 2HG GLN 71 -19.948 -3.086 1.180 554 1HE2 GLN 71 2HE2 GLN 71 -17.667 -5.204 1.001 555 2HE2 GLN 71 1HE2 GLN 71 -17.084 -5.237 2.655 556 H GLU 72 H GLU 72 -16.909 -3.517 -3.019 557 HA GLU 72 HA GLU 72 -16.374 -6.314 -3.019 558 1HB GLU 72 1HB GLU 72 -17.577 -5.266 -4.852 559 2HB GLU 72 2HB GLU 72 -16.279 -4.074 -5.090 560 1HG GLU 72 1HG GLU 72 -16.158 -5.673 -6.861 561 2HG GLU 72 2HG GLU 72 -14.762 -5.888 -5.803 562 H ALA 73 H ALA 73 -14.334 -3.395 -3.560 563 HA ALA 73 HA ALA 73 -11.948 -4.863 -4.189 564 1HB ALA 73 1HB ALA 73 -12.569 -2.061 -3.201 565 2HB ALA 73 2HB ALA 73 -10.974 -2.537 -3.857 566 3HB ALA 73 3HB ALA 73 -12.449 -2.542 -4.878 567 H LEU 74 H LEU 74 -13.055 -3.079 -1.281 568 HA LEU 74 HA LEU 74 -10.874 -3.655 0.373 569 1HB LEU 74 1HB LEU 74 -12.360 -2.984 2.206 570 2HB LEU 74 2HB LEU 74 -12.527 -1.952 0.766 571 HG LEU 74 HG LEU 74 -14.473 -3.612 0.145 572 1HD1 LEU 74 1HD2 LEU 74 -14.386 -3.679 3.191 573 2HD1 LEU 74 2HD2 LEU 74 -15.725 -4.257 2.167 574 3HD1 LEU 74 3HD2 LEU 74 -14.146 -5.080 2.106 575 1HD2 LEU 74 1HD1 LEU 74 -14.634 -1.185 0.470 576 2HD2 LEU 74 2HD1 LEU 74 -16.023 -2.017 1.197 577 3HD2 LEU 74 3HD1 LEU 74 -14.704 -1.412 2.232 578 H GLU 75 H GLU 75 -13.887 -5.623 -0.058 579 HA GLU 75 HA GLU 75 -13.151 -7.580 1.859 580 1HB GLU 75 1HB GLU 75 -14.828 -7.847 -0.662 581 2HB GLU 75 2HB GLU 75 -14.703 -9.058 0.638 582 1HG GLU 75 1HG GLU 75 -15.715 -6.212 0.941 583 2HG GLU 75 2HG GLU 75 -16.708 -7.683 0.959 584 H LYS 76 H LYS 76 -12.312 -7.360 -1.667 585 HA LYS 76 HA LYS 76 -11.193 -9.995 -1.854 586 1HB LYS 76 1HB LYS 76 -10.237 -7.444 -3.223 587 2HB LYS 76 2HB LYS 76 -9.905 -9.112 -3.716 588 1HG LYS 76 1HG LYS 76 -12.439 -9.362 -4.053 589 2HG LYS 76 2HG LYS 76 -12.516 -7.592 -3.880 590 1HD LYS 76 1HD LYS 76 -10.925 -9.248 -5.912 591 2HD LYS 76 2HD LYS 76 -12.230 -8.097 -6.263 592 1HE LYS 76 1HE LYS 76 -10.777 -6.249 -5.391 593 2HE LYS 76 2HE LYS 76 -9.473 -7.427 -5.128 594 1HZ LYS 76 1HZ LYS 76 -10.713 -6.738 -7.701 595 2HZ LYS 76 2HZ LYS 76 -9.241 -6.238 -7.161 596 3HZ LYS 76 3HZ LYS 76 -9.496 -7.839 -7.493 597 H LEU 77 H LEU 77 -9.857 -6.781 -1.206 598 HA LEU 77 HA LEU 77 -7.180 -7.595 -0.876 599 1HB LEU 77 1HB LEU 77 -8.719 -5.156 0.024 600 2HB LEU 77 2HB LEU 77 -6.988 -5.395 0.390 601 HG LEU 77 HG LEU 77 -7.104 -4.191 -1.736 602 1HD1 LEU 77 1HD2 LEU 77 -5.440 -6.054 -1.434 603 2HD1 LEU 77 2HD2 LEU 77 -6.637 -7.166 -2.152 604 3HD1 LEU 77 3HD2 LEU 77 -5.947 -5.859 -3.143 605 1HD2 LEU 77 1HD1 LEU 77 -8.725 -6.584 -2.696 606 2HD2 LEU 77 2HD1 LEU 77 -9.384 -4.950 -2.475 607 3HD2 LEU 77 3HD1 LEU 77 -8.139 -5.257 -3.727 608 H ALA 78 H ALA 78 -9.575 -6.941 1.791 609 HA ALA 78 HA ALA 78 -7.679 -7.785 3.771 610 1HB ALA 78 1HB ALA 78 -9.636 -6.438 4.353 611 2HB ALA 78 2HB ALA 78 -10.712 -7.787 3.906 612 3HB ALA 78 3HB ALA 78 -9.593 -7.942 5.283 613 H ALA 79 H ALA 79 -9.932 -9.638 1.685 614 HA ALA 79 HA ALA 79 -9.814 -12.105 3.131 615 1HB ALA 79 1HB ALA 79 -11.360 -11.525 1.210 616 2HB ALA 79 2HB ALA 79 -9.933 -11.553 0.138 617 3HB ALA 79 3HB ALA 79 -10.461 -13.047 0.949 618 H TYR 80 H TYR 80 -7.956 -10.684 0.458 619 HA TYR 80 HA TYR 80 -6.217 -12.899 0.079 620 1HB TYR 80 1HB TYR 80 -6.825 -11.325 -1.638 621 2HB TYR 80 2HB TYR 80 -6.176 -9.984 -0.705 622 HD1 TYR 80 HD1 TYR 80 -4.224 -9.075 -1.312 623 HD2 TYR 80 HD2 TYR 80 -4.719 -13.334 -1.612 624 HE1 TYR 80 HE1 TYR 80 -1.759 -9.362 -1.421 625 HE2 TYR 80 HE2 TYR 80 -2.258 -13.616 -1.716 626 HH TYR 80 HH TYR 80 -0.092 -10.756 -1.984 627 H VAL 81 H VAL 81 -5.451 -9.635 1.383 628 HA VAL 81 HA VAL 81 -2.748 -9.976 1.754 629 HB VAL 81 HB VAL 81 -2.903 -8.173 3.423 630 1HG1 VAL 81 1HG2 VAL 81 -3.111 -7.775 0.981 631 2HG1 VAL 81 2HG2 VAL 81 -4.879 -7.947 1.122 632 3HG1 VAL 81 3HG2 VAL 81 -4.050 -6.591 1.927 633 1HG2 VAL 81 1HG1 VAL 81 -4.881 -9.044 4.656 634 2HG2 VAL 81 2HG1 VAL 81 -5.151 -7.367 4.124 635 3HG2 VAL 81 3HG1 VAL 81 -5.903 -8.720 3.240 636 H GLN 82 H GLN 82 -5.228 -11.154 3.904 637 HA GLN 82 HA GLN 82 -3.348 -11.848 6.051 638 1HB GLN 82 1HB GLN 82 -5.544 -12.187 7.252 639 2HB GLN 82 2HB GLN 82 -5.669 -10.704 6.281 640 1HG GLN 82 1HG GLN 82 -6.893 -11.963 4.552 641 2HG GLN 82 2HG GLN 82 -6.295 -13.454 5.266 642 1HE2 GLN 82 2HE2 GLN 82 -8.916 -11.687 4.948 643 2HE2 GLN 82 1HE2 GLN 82 -9.919 -12.377 6.245 644 H GLU 83 H GLU 83 -4.596 -13.313 3.279 645 HA GLU 83 HA GLU 83 -6.038 -15.534 4.106 646 1HB GLU 83 1HB GLU 83 -6.134 -14.197 2.058 647 2HB GLU 83 2HB GLU 83 -4.639 -14.976 1.478 648 1HG GLU 83 1HG GLU 83 -5.793 -17.175 1.560 649 2HG GLU 83 2HG GLU 83 -7.281 -16.360 2.092 650 H GLU 84 H GLU 84 -2.716 -15.440 4.558 651 HA GLU 84 HA GLU 84 -2.660 -18.263 4.992 652 1HB GLU 84 1HB GLU 84 -0.998 -18.858 3.189 653 2HB GLU 84 2HB GLU 84 -2.626 -18.438 2.628 654 1HG GLU 84 1HG GLU 84 -1.343 -15.959 2.577 655 2HG GLU 84 2HG GLU 84 -0.097 -17.098 2.000 656 H VAL 85 H VAL 85 0.296 -17.426 3.797 657 HA VAL 85 HA VAL 85 1.413 -15.650 5.809 658 HB VAL 85 HB VAL 85 1.532 -17.631 7.238 659 1HG1 VAL 85 1HG1 VAL 85 2.677 -19.319 4.903 660 2HG1 VAL 85 2HG1 VAL 85 2.556 -19.840 6.603 661 3HG1 VAL 85 3HG1 VAL 85 1.093 -19.544 5.682 662 1HG2 VAL 85 1HG2 VAL 85 3.724 -16.366 7.103 663 2HG2 VAL 85 2HG2 VAL 85 3.964 -18.075 7.481 664 3HG2 VAL 85 3HG2 VAL 85 4.290 -17.477 5.833
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