NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9104 | 1nd9 | 5624 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 2 HT1 THR 2 9.646 8.349 3.164 2 2H THR 2 HT2 THR 2 10.198 7.730 1.662 3 3H THR 2 HT3 THR 2 9.844 6.660 2.957 4 HA THR 2 HA THR 2 7.551 7.303 2.876 5 HB THR 2 HB THR 2 6.998 8.567 0.639 6 HG1 THR 2 HG1 THR 2 9.589 9.571 1.189 7 1HG2 THR 2 HG21 THR 2 8.212 10.435 2.582 8 2HG2 THR 2 HG22 THR 2 6.920 9.381 3.160 9 3HG2 THR 2 HG23 THR 2 6.630 10.469 1.804 10 H ASP 3 HN ASP 3 9.553 6.925 -0.051 11 HA ASP 3 HA ASP 3 7.790 4.821 -1.016 12 1HB ASP 3 HB2 ASP 3 9.173 6.753 -2.332 13 2HB ASP 3 HB1 ASP 3 10.285 5.397 -2.490 14 H VAL 4 HN VAL 4 8.162 2.710 -0.787 15 HA VAL 4 HA VAL 4 10.879 1.749 -0.345 16 HB VAL 4 HB VAL 4 8.863 0.484 1.413 17 1HG1 VAL 4 HG11 VAL 4 11.773 0.966 1.324 18 2HG1 VAL 4 HG12 VAL 4 10.872 -0.470 1.810 19 3HG1 VAL 4 HG13 VAL 4 11.039 0.885 2.925 20 1HG2 VAL 4 HG21 VAL 4 10.023 3.188 2.088 21 2HG2 VAL 4 HG22 VAL 4 9.099 2.156 3.179 22 3HG2 VAL 4 HG23 VAL 4 8.326 2.848 1.753 23 H THR 5 HN THR 5 10.713 -0.815 -0.207 24 HA THR 5 HA THR 5 9.209 -1.542 -2.581 25 HB THR 5 HB THR 5 10.622 -3.317 -2.858 26 HG1 THR 5 HG1 THR 5 11.655 -4.379 -1.111 27 1HG2 THR 5 HG21 THR 5 12.882 -2.764 -2.313 28 2HG2 THR 5 HG22 THR 5 12.355 -1.664 -1.039 29 3HG2 THR 5 HG23 THR 5 12.022 -1.282 -2.728 30 H ILE 6 HN ILE 6 7.364 -2.512 -2.579 31 HA ILE 6 HA ILE 6 5.818 -3.024 -0.339 32 HB ILE 6 HB ILE 6 4.969 -2.811 -2.706 33 1HG1 ILE 6 HG12 ILE 6 3.780 -3.647 -0.545 34 2HG1 ILE 6 HG11 ILE 6 2.970 -3.806 -2.098 35 1HG2 ILE 6 HG21 ILE 6 5.908 -5.652 -2.823 36 2HG2 ILE 6 HG22 ILE 6 6.188 -4.339 -3.965 37 3HG2 ILE 6 HG23 ILE 6 4.587 -5.062 -3.831 38 1HD1 ILE 6 HD11 ILE 6 4.554 -6.135 -1.507 39 2HD1 ILE 6 HD12 ILE 6 2.836 -5.999 -1.855 40 3HD1 ILE 6 HD13 ILE 6 3.417 -5.786 -0.211 41 H LYS 7 HN LYS 7 5.041 -4.862 0.625 42 HA LYS 7 HA LYS 7 5.039 -7.125 1.227 43 1HB LYS 7 HB2 LYS 7 6.532 -7.520 -0.918 44 2HB LYS 7 HB1 LYS 7 7.842 -7.563 0.252 45 1HG LYS 7 HG2 LYS 7 5.401 -9.263 0.591 46 2HG LYS 7 HG1 LYS 7 6.737 -9.770 -0.444 47 1HD LYS 7 HD2 LYS 7 8.091 -10.211 1.306 48 2HD LYS 7 HD1 LYS 7 7.512 -8.826 2.234 49 1HE LYS 7 HE2 LYS 7 6.854 -10.788 3.409 50 2HE LYS 7 HE1 LYS 7 5.406 -10.112 2.666 51 1HZ LYS 7 HZ1 LYS 7 5.811 -12.617 2.482 52 2HZ LYS 7 HZ2 LYS 7 6.959 -12.219 1.305 53 3HZ LYS 7 HZ3 LYS 7 5.339 -11.787 1.085 54 H THR 8 HN THR 8 8.374 -5.803 1.314 55 HA THR 8 HA THR 8 8.825 -6.532 4.017 56 HB THR 8 HB THR 8 10.072 -4.158 2.610 57 HG1 THR 8 HG1 THR 8 10.413 -5.780 1.193 58 1HG2 THR 8 HG21 THR 8 10.687 -5.661 5.031 59 2HG2 THR 8 HG22 THR 8 11.189 -4.046 4.532 60 3HG2 THR 8 HG23 THR 8 12.058 -5.462 3.939 61 H LEU 9 HN LEU 9 7.744 -3.630 2.376 62 HA LEU 9 HA LEU 9 7.132 -2.140 4.737 63 1HB LEU 9 HB2 LEU 9 7.393 -1.505 2.072 64 2HB LEU 9 HB1 LEU 9 5.654 -1.446 2.294 65 HG LEU 9 HG LEU 9 7.740 0.187 3.737 66 1HD1 LEU 9 HD11 LEU 9 7.045 0.917 1.473 67 2HD1 LEU 9 HD12 LEU 9 6.637 2.068 2.741 68 3HD1 LEU 9 HD13 LEU 9 5.386 1.031 2.057 69 1HD2 LEU 9 HD21 LEU 9 5.885 -0.660 5.236 70 2HD2 LEU 9 HD22 LEU 9 4.776 0.283 4.238 71 3HD2 LEU 9 HD23 LEU 9 6.063 1.092 5.132 72 H ALA 10 HN ALA 10 5.319 -4.027 2.354 73 HA ALA 10 HA ALA 10 2.733 -3.735 3.167 74 1HB ALA 10 HB1 ALA 10 2.695 -6.350 2.640 75 2HB ALA 10 HB2 ALA 10 4.251 -5.928 1.955 76 3HB ALA 10 HB3 ALA 10 2.802 -5.115 1.388 77 H ALA 11 HN ALA 11 5.124 -6.022 4.413 78 HA ALA 11 HA ALA 11 3.573 -7.175 6.443 79 1HB ALA 11 HB1 ALA 11 6.565 -6.786 6.279 80 2HB ALA 11 HB2 ALA 11 5.654 -8.190 5.725 81 3HB ALA 11 HB3 ALA 11 5.744 -7.820 7.447 82 H GLU 12 HN GLU 12 5.852 -4.455 6.456 83 HA GLU 12 HA GLU 12 6.032 -3.634 8.983 84 1HB GLU 12 HB2 GLU 12 6.434 -2.404 6.589 85 2HB GLU 12 HB1 GLU 12 5.120 -1.435 7.242 86 1HG GLU 12 HG2 GLU 12 7.390 -2.012 9.047 87 2HG GLU 12 HG1 GLU 12 7.684 -0.905 7.707 88 H ARG 13 HN ARG 13 3.320 -2.243 7.042 89 HA ARG 13 HA ARG 13 1.878 -1.681 9.434 90 1HB ARG 13 HB2 ARG 13 1.160 -1.568 6.532 91 2HB ARG 13 HB1 ARG 13 -0.028 -1.250 7.786 92 1HG ARG 13 HG2 ARG 13 2.570 0.236 7.699 93 2HG ARG 13 HG1 ARG 13 1.183 0.745 6.735 94 1HD ARG 13 HD2 ARG 13 0.810 1.979 8.618 95 2HD ARG 13 HD1 ARG 13 -0.064 0.511 9.050 96 HE ARG 13 HE ARG 13 1.482 0.111 10.692 97 1HH1 ARG 13 HH11 ARG 13 2.736 2.539 8.521 98 2HH1 ARG 13 HH12 ARG 13 4.103 2.904 9.519 99 1HH2 ARG 13 HH21 ARG 13 3.280 0.590 12.006 100 2HH2 ARG 13 HH22 ARG 13 4.413 1.798 11.497 101 H GLN 14 HN GLN 14 1.563 -3.987 6.885 102 HA GLN 14 HA GLN 14 0.884 -6.187 6.918 103 1HB GLN 14 HB2 GLN 14 1.297 -5.823 9.567 104 2HB GLN 14 HB1 GLN 14 -0.444 -6.074 9.559 105 1HG GLN 14 HG2 GLN 14 -0.211 -8.256 9.263 106 2HG GLN 14 HG1 GLN 14 0.889 -8.021 7.905 107 1HE2 GLN 14 HE21 GLN 14 2.282 -9.644 8.462 108 2HE2 GLN 14 HE22 GLN 14 3.301 -9.583 9.856 109 H THR 15 HN THR 15 -1.318 -3.936 8.543 110 HA THR 15 HA THR 15 -3.491 -4.970 6.849 111 HB THR 15 HB THR 15 -4.932 -3.796 8.685 112 HG1 THR 15 HG1 THR 15 -2.525 -4.287 10.100 113 1HG2 THR 15 HG21 THR 15 -3.681 -6.147 9.916 114 2HG2 THR 15 HG22 THR 15 -4.313 -6.385 8.287 115 3HG2 THR 15 HG23 THR 15 -5.376 -5.805 9.568 116 H SER 16 HN SER 16 -1.381 -2.696 6.557 117 HA SER 16 HA SER 16 -3.350 -0.715 5.668 118 1HB SER 16 HB2 SER 16 -0.742 0.311 6.676 119 2HB SER 16 HB1 SER 16 -2.329 1.070 6.676 120 HG SER 16 HG SER 16 -2.731 0.222 8.561 121 H VAL 17 HN VAL 17 0.196 -0.355 5.426 122 HA VAL 17 HA VAL 17 0.087 0.373 2.840 123 HB VAL 17 HB VAL 17 2.008 0.931 4.003 124 1HG1 VAL 17 HG11 VAL 17 3.596 -1.296 4.341 125 2HG1 VAL 17 HG12 VAL 17 1.994 -1.880 4.786 126 3HG1 VAL 17 HG13 VAL 17 2.681 -0.479 5.605 127 1HG2 VAL 17 HG21 VAL 17 2.129 -0.152 1.486 128 2HG2 VAL 17 HG22 VAL 17 3.438 -0.987 2.322 129 3HG2 VAL 17 HG23 VAL 17 3.409 0.775 2.268 130 H GLU 18 HN GLU 18 0.773 -3.072 3.834 131 HA GLU 18 HA GLU 18 1.238 -4.041 1.287 132 1HB GLU 18 HB2 GLU 18 1.200 -5.405 3.415 133 2HB GLU 18 HB1 GLU 18 -0.552 -5.402 3.315 134 1HG GLU 18 HG2 GLU 18 -0.488 -6.614 1.237 135 2HG GLU 18 HG1 GLU 18 1.272 -6.535 1.208 136 H ARG 19 HN ARG 19 -1.902 -3.729 2.863 137 HA ARG 19 HA ARG 19 -3.518 -4.380 0.708 138 1HB ARG 19 HB2 ARG 19 -3.866 -3.021 3.285 139 2HB ARG 19 HB1 ARG 19 -5.034 -2.559 2.055 140 1HG ARG 19 HG2 ARG 19 -6.184 -4.316 2.824 141 2HG ARG 19 HG1 ARG 19 -5.084 -5.252 1.809 142 1HD ARG 19 HD2 ARG 19 -4.095 -6.195 3.576 143 2HD ARG 19 HD1 ARG 19 -3.964 -4.656 4.427 144 HE ARG 19 HE ARG 19 -5.749 -5.302 5.673 145 1HH1 ARG 19 HH11 ARG 19 -5.924 -6.966 2.610 146 2HH1 ARG 19 HH12 ARG 19 -7.339 -7.868 3.040 147 1HH2 ARG 19 HH21 ARG 19 -7.610 -6.487 6.238 148 2HH2 ARG 19 HH22 ARG 19 -8.297 -7.596 5.099 149 H LEU 20 HN LEU 20 -2.243 -1.365 1.775 150 HA LEU 20 HA LEU 20 -3.529 0.364 0.044 151 1HB LEU 20 HB2 LEU 20 -2.202 2.005 0.838 152 2HB LEU 20 HB1 LEU 20 -1.914 0.795 2.060 153 HG LEU 20 HG LEU 20 0.256 0.238 0.974 154 1HD1 LEU 20 HD11 LEU 20 0.564 0.865 -1.157 155 2HD1 LEU 20 HD12 LEU 20 0.755 2.511 -0.563 156 3HD1 LEU 20 HD13 LEU 20 -0.822 1.953 -1.110 157 1HD2 LEU 20 HD21 LEU 20 -0.339 2.231 2.671 158 2HD2 LEU 20 HD22 LEU 20 0.412 3.141 1.369 159 3HD2 LEU 20 HD23 LEU 20 1.297 1.839 2.148 160 H VAL 21 HN VAL 21 -0.466 -1.289 -0.474 161 HA VAL 21 HA VAL 21 0.202 -0.184 -2.911 162 HB VAL 21 HB VAL 21 0.844 -3.040 -2.746 163 1HG1 VAL 21 HG11 VAL 21 3.166 -2.000 -2.896 164 2HG1 VAL 21 HG12 VAL 21 2.332 -0.454 -3.052 165 3HG1 VAL 21 HG13 VAL 21 2.071 -1.718 -4.245 166 1HG2 VAL 21 HG21 VAL 21 2.547 -2.413 -0.864 167 2HG2 VAL 21 HG22 VAL 21 0.929 -2.944 -0.442 168 3HG2 VAL 21 HG23 VAL 21 1.331 -1.228 -0.427 169 H GLN 22 HN GLN 22 -1.742 -3.129 -2.303 170 HA GLN 22 HA GLN 22 -2.143 -3.778 -4.986 171 1HB GLN 22 HB2 GLN 22 -3.930 -4.230 -2.607 172 2HB GLN 22 HB1 GLN 22 -4.248 -4.918 -4.194 173 1HG GLN 22 HG2 GLN 22 -1.982 -6.000 -4.055 174 2HG GLN 22 HG1 GLN 22 -1.931 -5.483 -2.370 175 1HE2 GLN 22 HE21 GLN 22 -4.187 -7.087 -4.597 176 2HE2 GLN 22 HE22 GLN 22 -4.679 -8.315 -3.486 177 H GLN 23 HN GLN 23 -4.653 -2.247 -3.005 178 HA GLN 23 HA GLN 23 -6.335 -1.559 -5.062 179 1HB GLN 23 HB2 GLN 23 -5.748 -0.165 -2.459 180 2HB GLN 23 HB1 GLN 23 -6.998 0.403 -3.551 181 1HG GLN 23 HG2 GLN 23 -6.987 -2.442 -2.658 182 2HG GLN 23 HG1 GLN 23 -7.606 -1.181 -1.592 183 1HE2 GLN 23 HE21 GLN 23 -8.289 -3.243 -4.164 184 2HE2 GLN 23 HE22 GLN 23 -9.828 -2.595 -4.605 185 H PHE 24 HN PHE 24 -3.689 0.377 -3.726 186 HA PHE 24 HA PHE 24 -3.994 2.558 -5.344 187 1HB PHE 24 HB2 PHE 24 -1.809 1.614 -3.653 188 2HB PHE 24 HB1 PHE 24 -1.364 2.746 -4.937 189 HD1 PHE 24 HD1 PHE 24 -3.027 4.709 -5.297 190 HD2 PHE 24 HD2 PHE 24 -2.649 2.517 -1.685 191 HE1 PHE 24 HE1 PHE 24 -4.176 6.517 -4.102 192 HE2 PHE 24 HE2 PHE 24 -3.781 4.327 -0.489 193 HZ PHE 24 HZ PHE 24 -4.566 6.307 -1.688 194 H ALA 25 HN ALA 25 -2.133 -0.343 -6.115 195 HA ALA 25 HA ALA 25 -0.891 0.486 -8.422 196 1HB ALA 25 HB1 ALA 25 -1.229 -1.808 -9.291 197 2HB ALA 25 HB2 ALA 25 -2.401 -2.109 -8.007 198 3HB ALA 25 HB3 ALA 25 -0.709 -1.820 -7.607 199 H ASP 26 HN ASP 26 -4.218 -0.536 -7.851 200 HA ASP 26 HA ASP 26 -5.217 0.044 -10.450 201 1HB ASP 26 HB2 ASP 26 -6.316 -1.237 -8.419 202 2HB ASP 26 HB1 ASP 26 -6.915 0.365 -7.996 203 H ALA 27 HN ALA 27 -5.112 1.909 -7.412 204 HA ALA 27 HA ALA 27 -6.339 4.263 -8.199 205 1HB ALA 27 HB1 ALA 27 -4.694 3.454 -6.026 206 2HB ALA 27 HB2 ALA 27 -5.957 4.672 -6.090 207 3HB ALA 27 HB3 ALA 27 -4.303 5.092 -6.525 208 H GLY 28 HN GLY 28 -2.841 4.158 -7.693 209 1HA GLY 28 HA2 GLY 28 -1.874 4.776 -10.215 210 2HA GLY 28 HA1 GLY 28 -2.292 6.315 -9.470 211 H ILE 29 HN ILE 29 -0.988 3.365 -8.063 212 HA ILE 29 HA ILE 29 1.562 4.646 -7.451 213 HB ILE 29 HB ILE 29 0.293 3.115 -5.230 214 1HG1 ILE 29 HG12 ILE 29 -1.387 4.827 -5.988 215 2HG1 ILE 29 HG11 ILE 29 -0.818 5.043 -4.336 216 1HG2 ILE 29 HG21 ILE 29 2.546 4.926 -5.642 217 2HG2 ILE 29 HG22 ILE 29 2.312 3.659 -4.437 218 3HG2 ILE 29 HG23 ILE 29 1.618 5.259 -4.180 219 1HD1 ILE 29 HD11 ILE 29 -0.944 6.980 -6.264 220 2HD1 ILE 29 HD12 ILE 29 0.758 6.517 -6.283 221 3HD1 ILE 29 HD13 ILE 29 0.007 7.058 -4.781 222 H ARG 30 HN ARG 30 2.879 2.769 -6.094 223 HA ARG 30 HA ARG 30 3.168 0.712 -8.056 224 1HB ARG 30 HB2 ARG 30 4.466 0.789 -5.332 225 2HB ARG 30 HB1 ARG 30 5.058 -0.001 -6.787 226 1HG ARG 30 HG2 ARG 30 6.250 1.811 -7.232 227 2HG ARG 30 HG1 ARG 30 4.746 2.701 -7.458 228 1HD ARG 30 HD2 ARG 30 4.706 3.240 -5.072 229 2HD ARG 30 HD1 ARG 30 6.208 2.346 -4.844 230 HE ARG 30 HE ARG 30 7.334 4.184 -5.576 231 1HH1 ARG 30 HH11 ARG 30 4.059 4.377 -6.766 232 2HH1 ARG 30 HH12 ARG 30 4.275 5.943 -7.472 233 1HH2 ARG 30 HH21 ARG 30 7.618 6.245 -6.501 234 2HH2 ARG 30 HH22 ARG 30 6.294 7.004 -7.321 235 H LYS 31 HN LYS 31 2.847 -1.481 -7.827 236 HA LYS 31 HA LYS 31 0.575 -2.191 -6.193 237 1HB LYS 31 HB2 LYS 31 1.858 -4.218 -7.935 238 2HB LYS 31 HB1 LYS 31 0.156 -3.856 -7.691 239 1HG LYS 31 HG2 LYS 31 0.280 -2.997 -9.751 240 2HG LYS 31 HG1 LYS 31 0.986 -1.598 -8.939 241 1HD LYS 31 HD2 LYS 31 2.769 -1.878 -10.250 242 2HD LYS 31 HD1 LYS 31 3.127 -3.327 -9.310 243 1HE LYS 31 HE2 LYS 31 1.470 -3.195 -11.827 244 2HE LYS 31 HE1 LYS 31 3.112 -3.822 -11.694 245 1HZ LYS 31 HZ1 LYS 31 1.256 -5.042 -9.863 246 2HZ LYS 31 HZ2 LYS 31 2.379 -5.761 -10.906 247 3HZ LYS 31 HZ3 LYS 31 0.860 -5.297 -11.489 248 H SER 32 HN SER 32 0.409 -4.374 -5.286 249 HA SER 32 HA SER 32 2.624 -4.838 -3.470 250 1HB SER 32 HB2 SER 32 -0.241 -5.046 -3.329 251 2HB SER 32 HB1 SER 32 0.495 -6.571 -2.841 252 HG SER 32 HG SER 32 0.187 -4.890 -1.168 253 H ALA 33 HN ALA 33 2.767 -7.221 -2.730 254 HA ALA 33 HA ALA 33 2.997 -9.481 -3.204 255 1HB ALA 33 HB1 ALA 33 2.623 -10.427 -5.285 256 2HB ALA 33 HB2 ALA 33 3.088 -8.962 -6.151 257 3HB ALA 33 HB3 ALA 33 1.539 -9.036 -5.310 258 H ASP 34 HN ASP 34 4.930 -7.619 -2.521 259 HA ASP 34 HA ASP 34 7.205 -7.349 -2.500 260 1HB ASP 34 HB2 ASP 34 6.987 -9.937 -2.551 261 2HB ASP 34 HB1 ASP 34 7.496 -9.792 -4.231 262 H ASP 35 HN ASP 35 7.695 -5.578 -3.601 263 HA ASP 35 HA ASP 35 9.084 -5.493 -5.945 264 1HB ASP 35 HB2 ASP 35 7.133 -6.384 -7.138 265 2HB ASP 35 HB1 ASP 35 6.139 -5.062 -6.537 266 H SER 36 HN SER 36 6.545 -3.166 -6.295 267 HA SER 36 HA SER 36 8.104 -1.311 -4.613 268 1HB SER 36 HB2 SER 36 7.079 0.443 -6.294 269 2HB SER 36 HB1 SER 36 8.534 -0.454 -6.712 270 HG SER 36 HG SER 36 6.060 -1.569 -7.388 271 H VAL 37 HN VAL 37 7.052 -0.032 -3.202 272 HA VAL 37 HA VAL 37 4.116 0.086 -3.203 273 HB VAL 37 HB VAL 37 4.769 -1.710 -1.648 274 1HG1 VAL 37 HG11 VAL 37 6.095 -1.282 0.309 275 2HG1 VAL 37 HG12 VAL 37 6.214 0.426 -0.110 276 3HG1 VAL 37 HG13 VAL 37 7.004 -0.781 -1.114 277 1HG2 VAL 37 HG21 VAL 37 3.881 0.618 0.009 278 2HG2 VAL 37 HG22 VAL 37 3.438 -1.079 0.168 279 3HG2 VAL 37 HG23 VAL 37 2.827 -0.132 -1.187 280 H SER 38 HN SER 38 3.272 1.663 -1.607 281 HA SER 38 HA SER 38 5.121 3.887 -1.108 282 1HB SER 38 HB2 SER 38 2.448 3.870 -2.407 283 2HB SER 38 HB1 SER 38 2.754 5.177 -1.264 284 HG SER 38 HG SER 38 4.604 5.715 -2.476 285 H ALA 39 HN ALA 39 5.265 4.289 1.061 286 HA ALA 39 HA ALA 39 3.527 2.967 2.910 287 1HB ALA 39 HB1 ALA 39 5.145 4.693 4.368 288 2HB ALA 39 HB2 ALA 39 6.132 4.218 2.986 289 3HB ALA 39 HB3 ALA 39 5.443 2.986 4.042 290 H GLN 40 HN GLN 40 2.164 3.910 4.412 291 HA GLN 40 HA GLN 40 0.694 5.414 5.279 292 1HB GLN 40 HB2 GLN 40 2.952 7.043 4.543 293 2HB GLN 40 HB1 GLN 40 1.463 7.918 4.213 294 1HG GLN 40 HG2 GLN 40 1.229 6.688 6.762 295 2HG GLN 40 HG1 GLN 40 2.775 7.533 6.687 296 1HE2 GLN 40 HE21 GLN 40 0.683 8.279 8.376 297 2HE2 GLN 40 HE22 GLN 40 0.104 9.830 7.883 298 H GLU 41 HN GLU 41 0.996 4.606 2.191 299 HA GLU 41 HA GLU 41 -0.936 6.409 1.064 300 1HB GLU 41 HB2 GLU 41 0.838 4.377 0.063 301 2HB GLU 41 HB1 GLU 41 -0.796 4.060 -0.505 302 1HG GLU 41 HG2 GLU 41 0.687 6.661 -0.819 303 2HG GLU 41 HG1 GLU 41 0.507 5.428 -2.066 304 H LYS 42 HN LYS 42 -1.048 3.942 3.282 305 HA LYS 42 HA LYS 42 -3.003 2.200 2.870 306 1HB LYS 42 HB2 LYS 42 -3.831 2.684 5.226 307 2HB LYS 42 HB1 LYS 42 -2.117 2.337 5.045 308 1HG LYS 42 HG2 LYS 42 -1.495 4.389 5.710 309 2HG LYS 42 HG1 LYS 42 -2.838 5.180 4.882 310 1HD LYS 42 HD2 LYS 42 -4.206 5.044 6.688 311 2HD LYS 42 HD1 LYS 42 -3.532 3.503 7.217 312 1HE LYS 42 HE2 LYS 42 -2.164 4.514 8.653 313 2HE LYS 42 HE1 LYS 42 -1.567 5.607 7.405 314 1HZ LYS 42 HZ1 LYS 42 -2.531 7.031 8.919 315 2HZ LYS 42 HZ2 LYS 42 -3.810 5.982 9.276 316 3HZ LYS 42 HZ3 LYS 42 -3.789 6.820 7.808 317 H GLN 43 HN GLN 43 -3.545 5.642 2.791 318 HA GLN 43 HA GLN 43 -6.236 5.904 3.239 319 1HB GLN 43 HB2 GLN 43 -4.198 7.418 1.959 320 2HB GLN 43 HB1 GLN 43 -5.603 7.426 0.904 321 1HG GLN 43 HG2 GLN 43 -6.291 9.139 2.144 322 2HG GLN 43 HG1 GLN 43 -6.729 7.917 3.336 323 1HE2 GLN 43 HE21 GLN 43 -6.311 8.907 5.207 324 2HE2 GLN 43 HE22 GLN 43 -4.781 9.565 5.662 325 H THR 44 HN THR 44 -4.776 3.977 0.838 326 HA THR 44 HA THR 44 -6.391 4.033 -1.343 327 HB THR 44 HB THR 44 -4.416 2.391 -0.435 328 HG1 THR 44 HG1 THR 44 -4.554 1.464 -2.414 329 1HG2 THR 44 HG21 THR 44 -5.245 0.075 -0.594 330 2HG2 THR 44 HG22 THR 44 -6.895 0.684 -0.518 331 3HG2 THR 44 HG23 THR 44 -5.806 0.916 0.850 332 H LEU 45 HN LEU 45 -7.020 2.225 1.663 333 HA LEU 45 HA LEU 45 -9.340 0.935 0.978 334 1HB LEU 45 HB2 LEU 45 -8.800 2.256 3.637 335 2HB LEU 45 HB1 LEU 45 -9.909 0.931 3.342 336 HG LEU 45 HG LEU 45 -6.922 0.744 2.935 337 1HD1 LEU 45 HD11 LEU 45 -7.129 1.026 5.237 338 2HD1 LEU 45 HD12 LEU 45 -7.139 -0.725 5.028 339 3HD1 LEU 45 HD13 LEU 45 -8.651 0.139 5.307 340 1HD2 LEU 45 HD21 LEU 45 -9.217 -1.096 2.579 341 2HD2 LEU 45 HD22 LEU 45 -7.739 -1.767 3.266 342 3HD2 LEU 45 HD23 LEU 45 -7.701 -0.986 1.685 343 H ILE 46 HN ILE 46 -9.087 4.229 2.320 344 HA ILE 46 HA ILE 46 -11.879 4.737 2.206 345 HB ILE 46 HB ILE 46 -9.658 6.777 2.285 346 1HG1 ILE 46 HG12 ILE 46 -11.119 5.626 4.658 347 2HG1 ILE 46 HG11 ILE 46 -9.607 4.942 4.073 348 1HG2 ILE 46 HG21 ILE 46 -12.593 6.881 2.569 349 2HG2 ILE 46 HG22 ILE 46 -11.462 8.106 1.995 350 3HG2 ILE 46 HG23 ILE 46 -11.662 7.832 3.725 351 1HD1 ILE 46 HD11 ILE 46 -8.437 6.478 5.146 352 2HD1 ILE 46 HD12 ILE 46 -9.942 7.031 5.883 353 3HD1 ILE 46 HD13 ILE 46 -9.358 7.781 4.397 354 H ASP 47 HN ASP 47 -9.250 6.192 0.271 355 HA ASP 47 HA ASP 47 -10.765 7.594 -1.531 356 1HB ASP 47 HB2 ASP 47 -8.048 6.429 -1.561 357 2HB ASP 47 HB1 ASP 47 -8.717 6.856 -3.134 358 H HIS 48 HN HIS 48 -9.353 4.411 -2.289 359 HA HIS 48 HA HIS 48 -10.638 3.937 -4.667 360 1HB HIS 48 HB2 HIS 48 -9.792 2.002 -2.511 361 2HB HIS 48 HB1 HIS 48 -10.396 1.477 -4.078 362 HD1 HIS 48 HD1 HIS 48 -7.619 3.726 -2.752 363 HD2 HIS 48 HD2 HIS 48 -8.398 1.105 -5.882 364 HE1 HIS 48 HE1 HIS 48 -5.466 3.555 -4.059 365 HE2 HIS 48 HE2 HIS 48 -6.043 2.118 -6.030 366 H LEU 49 HN LEU 49 -11.783 3.029 -1.415 367 HA LEU 49 HA LEU 49 -14.136 1.760 -2.139 368 1HB LEU 49 HB2 LEU 49 -13.184 3.180 0.273 369 2HB LEU 49 HB1 LEU 49 -14.917 2.963 0.144 370 HG LEU 49 HG LEU 49 -14.708 0.582 0.098 371 1HD1 LEU 49 HD11 LEU 49 -12.052 -0.035 0.556 372 2HD1 LEU 49 HD12 LEU 49 -11.991 1.174 -0.725 373 3HD1 LEU 49 HD13 LEU 49 -12.946 -0.292 -0.943 374 1HD2 LEU 49 HD21 LEU 49 -13.926 0.170 2.275 375 2HD2 LEU 49 HD22 LEU 49 -14.475 1.846 2.290 376 3HD2 LEU 49 HD23 LEU 49 -12.752 1.483 2.192 377 H ASN 50 HN ASN 50 -14.066 5.095 -0.886 378 HA ASN 50 HA ASN 50 -16.621 5.744 -1.884 379 1HB ASN 50 HB2 ASN 50 -14.422 7.712 -1.238 380 2HB ASN 50 HB1 ASN 50 -16.160 7.989 -1.185 381 1HD2 ASN 50 HD21 ASN 50 -17.366 7.124 0.513 382 2HD2 ASN 50 HD22 ASN 50 -16.624 6.594 1.980 Start of MODEL 2 1 1H THR 2 HT1 THR 2 5.941 8.063 3.332 2 2H THR 2 HT2 THR 2 5.456 8.744 1.832 3 3H THR 2 HT3 THR 2 6.408 9.661 2.928 4 HA THR 2 HA THR 2 7.813 8.936 1.243 5 HB THR 2 HB THR 2 8.657 8.850 3.549 6 HG1 THR 2 HG1 THR 2 10.374 7.465 3.130 7 1HG2 THR 2 HG21 THR 2 8.901 6.513 4.551 8 2HG2 THR 2 HG22 THR 2 7.548 6.073 3.509 9 3HG2 THR 2 HG23 THR 2 7.351 7.334 4.727 10 H ASP 3 HN ASP 3 8.641 7.316 -0.125 11 HA ASP 3 HA ASP 3 6.787 5.081 -0.538 12 1HB ASP 3 HB2 ASP 3 8.696 6.545 -2.339 13 2HB ASP 3 HB1 ASP 3 8.102 4.946 -2.774 14 H VAL 4 HN VAL 4 7.407 2.994 -0.387 15 HA VAL 4 HA VAL 4 10.259 2.368 -0.158 16 HB VAL 4 HB VAL 4 8.324 1.146 1.789 17 1HG1 VAL 4 HG11 VAL 4 10.197 -0.117 1.946 18 2HG1 VAL 4 HG12 VAL 4 10.693 1.182 3.030 19 3HG1 VAL 4 HG13 VAL 4 11.247 1.171 1.355 20 1HG2 VAL 4 HG21 VAL 4 8.060 3.297 2.533 21 2HG2 VAL 4 HG22 VAL 4 9.638 3.813 1.941 22 3HG2 VAL 4 HG23 VAL 4 9.521 2.845 3.411 23 H THR 5 HN THR 5 10.564 -0.094 -0.189 24 HA THR 5 HA THR 5 9.094 -1.084 -2.427 25 HB THR 5 HB THR 5 10.455 -3.167 -2.050 26 HG1 THR 5 HG1 THR 5 10.727 -2.989 0.191 27 1HG2 THR 5 HG21 THR 5 12.138 -2.291 -3.195 28 2HG2 THR 5 HG22 THR 5 12.565 -1.190 -1.884 29 3HG2 THR 5 HG23 THR 5 11.304 -0.745 -3.035 30 H ILE 6 HN ILE 6 7.326 -2.145 -2.478 31 HA ILE 6 HA ILE 6 5.666 -2.728 -0.350 32 HB ILE 6 HB ILE 6 4.460 -2.826 -2.294 33 1HG1 ILE 6 HG12 ILE 6 4.046 -5.282 -2.949 34 2HG1 ILE 6 HG11 ILE 6 5.212 -5.690 -1.713 35 1HG2 ILE 6 HG21 ILE 6 5.491 -4.411 -4.223 36 2HG2 ILE 6 HG22 ILE 6 6.959 -3.837 -3.439 37 3HG2 ILE 6 HG23 ILE 6 5.805 -2.681 -4.090 38 1HD1 ILE 6 HD11 ILE 6 3.363 -5.849 -0.450 39 2HD1 ILE 6 HD12 ILE 6 2.443 -4.734 -1.459 40 3HD1 ILE 6 HD13 ILE 6 3.596 -4.110 -0.283 41 H LYS 7 HN LYS 7 5.092 -4.548 0.680 42 HA LYS 7 HA LYS 7 5.179 -6.767 1.374 43 1HB LYS 7 HB2 LYS 7 6.580 -7.347 -0.663 44 2HB LYS 7 HB1 LYS 7 7.999 -6.959 0.296 45 1HG LYS 7 HG2 LYS 7 8.007 -9.067 0.972 46 2HG LYS 7 HG1 LYS 7 6.540 -8.709 1.886 47 1HD LYS 7 HD2 LYS 7 6.470 -9.505 -1.012 48 2HD LYS 7 HD1 LYS 7 6.460 -10.696 0.290 49 1HE LYS 7 HE2 LYS 7 4.488 -9.299 1.221 50 2HE LYS 7 HE1 LYS 7 4.396 -8.643 -0.413 51 1HZ LYS 7 HZ1 LYS 7 2.950 -10.617 0.051 52 2HZ LYS 7 HZ2 LYS 7 4.357 -11.551 0.155 53 3HZ LYS 7 HZ3 LYS 7 3.964 -10.772 -1.295 54 H THR 8 HN THR 8 8.613 -5.720 1.630 55 HA THR 8 HA THR 8 8.884 -6.281 4.334 56 HB THR 8 HB THR 8 10.165 -3.751 3.494 57 HG1 THR 8 HG1 THR 8 10.537 -6.139 2.021 58 1HG2 THR 8 HG21 THR 8 10.770 -5.818 5.242 59 2HG2 THR 8 HG22 THR 8 11.799 -4.454 4.806 60 3HG2 THR 8 HG23 THR 8 11.934 -5.978 3.928 61 H LEU 9 HN LEU 9 7.724 -3.458 2.658 62 HA LEU 9 HA LEU 9 6.934 -1.979 4.967 63 1HB LEU 9 HB2 LEU 9 7.184 -1.484 2.209 64 2HB LEU 9 HB1 LEU 9 5.484 -1.270 2.577 65 HG LEU 9 HG LEU 9 6.661 0.849 2.739 66 1HD1 LEU 9 HD11 LEU 9 6.138 1.372 5.161 67 2HD1 LEU 9 HD12 LEU 9 5.690 -0.326 5.327 68 3HD1 LEU 9 HD13 LEU 9 4.818 0.711 4.196 69 1HD2 LEU 9 HD21 LEU 9 8.234 -0.186 5.063 70 2HD2 LEU 9 HD22 LEU 9 8.520 1.239 4.065 71 3HD2 LEU 9 HD23 LEU 9 8.845 -0.369 3.419 72 H ALA 10 HN ALA 10 5.313 -3.992 2.530 73 HA ALA 10 HA ALA 10 2.685 -3.778 3.227 74 1HB ALA 10 HB1 ALA 10 3.833 -6.484 2.693 75 2HB ALA 10 HB2 ALA 10 3.789 -5.254 1.434 76 3HB ALA 10 HB3 ALA 10 2.293 -5.809 2.172 77 H ALA 11 HN ALA 11 4.987 -6.126 4.578 78 HA ALA 11 HA ALA 11 3.312 -7.157 6.576 79 1HB ALA 11 HB1 ALA 11 5.591 -8.030 5.739 80 2HB ALA 11 HB2 ALA 11 5.210 -8.204 7.452 81 3HB ALA 11 HB3 ALA 11 6.285 -6.914 6.915 82 H GLU 12 HN GLU 12 5.731 -4.577 6.619 83 HA GLU 12 HA GLU 12 5.961 -3.706 9.095 84 1HB GLU 12 HB2 GLU 12 6.470 -2.537 6.771 85 2HB GLU 12 HB1 GLU 12 5.055 -1.588 7.207 86 1HG GLU 12 HG2 GLU 12 7.058 -0.457 7.912 87 2HG GLU 12 HG1 GLU 12 6.134 -0.976 9.322 88 H ARG 13 HN ARG 13 3.213 -2.244 7.239 89 HA ARG 13 HA ARG 13 1.928 -1.575 9.692 90 1HB ARG 13 HB2 ARG 13 1.195 -1.373 6.826 91 2HB ARG 13 HB1 ARG 13 -0.077 -1.239 8.026 92 1HG ARG 13 HG2 ARG 13 0.988 0.923 7.211 93 2HG ARG 13 HG1 ARG 13 0.827 0.706 8.954 94 1HD ARG 13 HD2 ARG 13 3.349 -0.101 7.555 95 2HD ARG 13 HD1 ARG 13 3.064 1.590 7.966 96 HE ARG 13 HE ARG 13 3.859 -0.466 9.736 97 1HH1 ARG 13 HH11 ARG 13 1.809 2.353 9.574 98 2HH1 ARG 13 HH12 ARG 13 1.909 2.676 11.273 99 1HH2 ARG 13 HH21 ARG 13 3.993 -0.042 11.968 100 2HH2 ARG 13 HH22 ARG 13 3.149 1.317 12.632 101 H GLN 14 HN GLN 14 1.300 -3.921 7.235 102 HA GLN 14 HA GLN 14 0.476 -6.070 7.393 103 1HB GLN 14 HB2 GLN 14 1.028 -5.598 10.029 104 2HB GLN 14 HB1 GLN 14 -0.714 -5.836 10.074 105 1HG GLN 14 HG2 GLN 14 0.695 -7.823 8.470 106 2HG GLN 14 HG1 GLN 14 1.172 -7.810 10.167 107 1HE2 GLN 14 HE21 GLN 14 -0.697 -7.753 11.725 108 2HE2 GLN 14 HE22 GLN 14 -2.050 -8.762 11.357 109 H THR 15 HN THR 15 -1.279 -3.270 8.459 110 HA THR 15 HA THR 15 -3.675 -4.323 7.137 111 HB THR 15 HB THR 15 -5.057 -3.152 8.860 112 HG1 THR 15 HG1 THR 15 -3.224 -1.823 9.578 113 1HG2 THR 15 HG21 THR 15 -5.221 -4.989 10.106 114 2HG2 THR 15 HG22 THR 15 -3.523 -4.940 10.577 115 3HG2 THR 15 HG23 THR 15 -3.988 -5.650 9.032 116 H SER 16 HN SER 16 -1.337 -2.171 6.833 117 HA SER 16 HA SER 16 -3.145 -0.133 5.739 118 1HB SER 16 HB2 SER 16 -1.128 0.227 7.770 119 2HB SER 16 HB1 SER 16 -0.748 1.202 6.352 120 HG SER 16 HG SER 16 -3.059 1.251 7.968 121 H VAL 17 HN VAL 17 0.410 -0.063 5.557 122 HA VAL 17 HA VAL 17 0.450 0.492 2.920 123 HB VAL 17 HB VAL 17 2.429 0.942 3.887 124 1HG1 VAL 17 HG11 VAL 17 2.291 -1.778 5.146 125 2HG1 VAL 17 HG12 VAL 17 2.337 -0.193 5.917 126 3HG1 VAL 17 HG13 VAL 17 3.778 -0.830 5.134 127 1HG2 VAL 17 HG21 VAL 17 2.568 -0.588 1.718 128 2HG2 VAL 17 HG22 VAL 17 3.456 -1.634 2.825 129 3HG2 VAL 17 HG23 VAL 17 4.009 0.016 2.536 130 H GLU 18 HN GLU 18 0.799 -2.930 4.157 131 HA GLU 18 HA GLU 18 1.162 -4.100 1.677 132 1HB GLU 18 HB2 GLU 18 1.112 -5.430 3.730 133 2HB GLU 18 HB1 GLU 18 -0.600 -5.091 3.936 134 1HG GLU 18 HG2 GLU 18 -1.210 -6.708 2.528 135 2HG GLU 18 HG1 GLU 18 0.047 -6.299 1.362 136 H ARG 19 HN ARG 19 -1.890 -3.236 3.224 137 HA ARG 19 HA ARG 19 -3.616 -3.894 1.134 138 1HB ARG 19 HB2 ARG 19 -3.785 -2.075 3.490 139 2HB ARG 19 HB1 ARG 19 -5.036 -1.986 2.257 140 1HG ARG 19 HG2 ARG 19 -4.348 -4.662 3.334 141 2HG ARG 19 HG1 ARG 19 -5.253 -3.556 4.370 142 1HD ARG 19 HD2 ARG 19 -6.769 -3.237 2.299 143 2HD ARG 19 HD1 ARG 19 -6.029 -4.732 1.727 144 HE ARG 19 HE ARG 19 -6.857 -5.316 4.257 145 1HH1 ARG 19 HH11 ARG 19 -8.423 -4.078 1.394 146 2HH1 ARG 19 HH12 ARG 19 -9.960 -4.775 1.783 147 1HH2 ARG 19 HH21 ARG 19 -8.878 -6.234 4.768 148 2HH2 ARG 19 HH22 ARG 19 -10.218 -5.998 3.698 149 H LEU 20 HN LEU 20 -2.006 -0.962 1.979 150 HA LEU 20 HA LEU 20 -3.023 0.808 0.135 151 1HB LEU 20 HB2 LEU 20 -1.368 2.238 0.747 152 2HB LEU 20 HB1 LEU 20 -1.204 1.080 2.044 153 HG LEU 20 HG LEU 20 0.728 0.044 0.836 154 1HD1 LEU 20 HD11 LEU 20 1.466 2.164 -0.871 155 2HD1 LEU 20 HD12 LEU 20 -0.194 1.762 -1.288 156 3HD1 LEU 20 HD13 LEU 20 1.050 0.514 -1.329 157 1HD2 LEU 20 HD21 LEU 20 0.632 2.390 2.310 158 2HD2 LEU 20 HD22 LEU 20 1.701 2.749 0.953 159 3HD2 LEU 20 HD23 LEU 20 2.038 1.381 1.998 160 H VAL 21 HN VAL 21 -0.318 -1.369 -0.253 161 HA VAL 21 HA VAL 21 0.522 -0.690 -2.764 162 HB VAL 21 HB VAL 21 0.479 -3.549 -1.876 163 1HG1 VAL 21 HG11 VAL 21 2.707 -3.524 -2.881 164 2HG1 VAL 21 HG12 VAL 21 2.504 -1.829 -3.255 165 3HG1 VAL 21 HG13 VAL 21 1.466 -3.016 -4.019 166 1HG2 VAL 21 HG21 VAL 21 1.621 -1.277 -0.427 167 2HG2 VAL 21 HG22 VAL 21 2.782 -2.552 -0.782 168 3HG2 VAL 21 HG23 VAL 21 1.313 -2.926 0.113 169 H GLN 22 HN GLN 22 -1.873 -3.216 -1.935 170 HA GLN 22 HA GLN 22 -2.323 -3.957 -4.602 171 1HB GLN 22 HB2 GLN 22 -4.400 -4.115 -2.436 172 2HB GLN 22 HB1 GLN 22 -4.235 -5.155 -3.844 173 1HG GLN 22 HG2 GLN 22 -1.909 -5.710 -2.785 174 2HG GLN 22 HG1 GLN 22 -2.679 -5.134 -1.307 175 1HE2 GLN 22 HE21 GLN 22 -1.871 -7.839 -2.698 176 2HE2 GLN 22 HE22 GLN 22 -3.202 -8.863 -2.291 177 H GLN 23 HN GLN 23 -4.689 -2.172 -2.662 178 HA GLN 23 HA GLN 23 -6.298 -1.416 -4.752 179 1HB GLN 23 HB2 GLN 23 -5.819 -0.469 -2.025 180 2HB GLN 23 HB1 GLN 23 -6.458 0.769 -3.096 181 1HG GLN 23 HG2 GLN 23 -8.382 -0.136 -2.257 182 2HG GLN 23 HG1 GLN 23 -8.183 -1.069 -3.739 183 1HE2 GLN 23 HE21 GLN 23 -8.969 -1.317 -0.600 184 2HE2 GLN 23 HE22 GLN 23 -8.518 -2.956 -0.296 185 H PHE 24 HN PHE 24 -3.544 0.417 -3.449 186 HA PHE 24 HA PHE 24 -3.809 2.571 -5.134 187 1HB PHE 24 HB2 PHE 24 -1.623 1.647 -3.401 188 2HB PHE 24 HB1 PHE 24 -1.224 2.826 -4.651 189 HD1 PHE 24 HD1 PHE 24 -3.232 4.602 -4.968 190 HD2 PHE 24 HD2 PHE 24 -2.190 2.613 -1.366 191 HE1 PHE 24 HE1 PHE 24 -4.409 6.332 -3.695 192 HE2 PHE 24 HE2 PHE 24 -3.347 4.357 -0.082 193 HZ PHE 24 HZ PHE 24 -4.489 6.189 -1.254 194 H ALA 25 HN ALA 25 -1.914 -0.352 -5.735 195 HA ALA 25 HA ALA 25 -0.610 0.395 -8.038 196 1HB ALA 25 HB1 ALA 25 -2.049 -2.184 -8.230 197 2HB ALA 25 HB2 ALA 25 -1.012 -1.990 -6.818 198 3HB ALA 25 HB3 ALA 25 -0.336 -1.827 -8.437 199 H ASP 26 HN ASP 26 -3.955 -0.655 -7.571 200 HA ASP 26 HA ASP 26 -4.805 -0.196 -10.251 201 1HB ASP 26 HB2 ASP 26 -5.952 -1.463 -8.200 202 2HB ASP 26 HB1 ASP 26 -6.723 0.106 -7.983 203 H ALA 27 HN ALA 27 -5.014 1.731 -7.258 204 HA ALA 27 HA ALA 27 -6.372 3.962 -7.994 205 1HB ALA 27 HB1 ALA 27 -5.788 4.439 -5.941 206 2HB ALA 27 HB2 ALA 27 -4.261 5.038 -6.587 207 3HB ALA 27 HB3 ALA 27 -4.390 3.379 -6.027 208 H GLY 28 HN GLY 28 -2.855 4.030 -7.931 209 1HA GLY 28 HA2 GLY 28 -2.198 4.747 -10.526 210 2HA GLY 28 HA1 GLY 28 -2.575 6.254 -9.689 211 H ILE 29 HN ILE 29 -1.221 3.339 -8.411 212 HA ILE 29 HA ILE 29 1.383 4.557 -7.913 213 HB ILE 29 HB ILE 29 0.135 2.899 -5.760 214 1HG1 ILE 29 HG12 ILE 29 -0.418 5.788 -6.390 215 2HG1 ILE 29 HG11 ILE 29 -1.550 4.528 -5.920 216 1HG2 ILE 29 HG21 ILE 29 2.102 3.313 -4.807 217 2HG2 ILE 29 HG22 ILE 29 1.727 5.035 -4.801 218 3HG2 ILE 29 HG23 ILE 29 2.574 4.325 -6.171 219 1HD1 ILE 29 HD11 ILE 29 0.413 5.969 -4.163 220 2HD1 ILE 29 HD12 ILE 29 -0.525 4.569 -3.652 221 3HD1 ILE 29 HD13 ILE 29 -1.347 6.058 -4.115 222 H ARG 30 HN ARG 30 2.709 2.498 -6.721 223 HA ARG 30 HA ARG 30 2.784 0.672 -8.942 224 1HB ARG 30 HB2 ARG 30 4.437 0.587 -6.435 225 2HB ARG 30 HB1 ARG 30 4.800 -0.178 -7.973 226 1HG ARG 30 HG2 ARG 30 5.897 1.627 -8.626 227 2HG ARG 30 HG1 ARG 30 4.432 2.594 -8.444 228 1HD ARG 30 HD2 ARG 30 4.956 2.956 -6.087 229 2HD ARG 30 HD1 ARG 30 6.405 1.965 -6.250 230 HE ARG 30 HE ARG 30 6.067 4.698 -7.078 231 1HH1 ARG 30 HH11 ARG 30 7.883 1.760 -7.574 232 2HH1 ARG 30 HH12 ARG 30 9.268 2.578 -8.217 233 1HH2 ARG 30 HH21 ARG 30 7.887 5.774 -7.924 234 2HH2 ARG 30 HH22 ARG 30 9.271 4.855 -8.416 235 H LYS 31 HN LYS 31 3.210 -1.670 -8.435 236 HA LYS 31 HA LYS 31 0.846 -2.720 -7.162 237 1HB LYS 31 HB2 LYS 31 2.948 -3.955 -8.917 238 2HB LYS 31 HB1 LYS 31 1.642 -4.887 -8.200 239 1HG LYS 31 HG2 LYS 31 1.091 -4.298 -10.468 240 2HG LYS 31 HG1 LYS 31 0.010 -3.461 -9.354 241 1HD LYS 31 HD2 LYS 31 1.160 -1.404 -9.648 242 2HD LYS 31 HD1 LYS 31 2.497 -2.196 -10.484 243 1HE LYS 31 HE2 LYS 31 1.320 -2.420 -12.440 244 2HE LYS 31 HE1 LYS 31 -0.242 -2.433 -11.624 245 1HZ LYS 31 HZ1 LYS 31 -0.126 -0.097 -11.300 246 2HZ LYS 31 HZ2 LYS 31 0.231 -0.387 -12.927 247 3HZ LYS 31 HZ3 LYS 31 1.475 -0.024 -11.841 248 H SER 32 HN SER 32 0.897 -4.800 -6.074 249 HA SER 32 HA SER 32 2.878 -4.761 -3.939 250 1HB SER 32 HB2 SER 32 1.270 -5.794 -2.550 251 2HB SER 32 HB1 SER 32 0.372 -4.604 -3.491 252 HG SER 32 HG SER 32 -0.240 -6.316 -4.895 253 H ALA 33 HN ALA 33 3.099 -6.977 -2.841 254 HA ALA 33 HA ALA 33 3.590 -9.235 -2.919 255 1HB ALA 33 HB1 ALA 33 3.281 -10.553 -4.768 256 2HB ALA 33 HB2 ALA 33 3.798 -9.295 -5.891 257 3HB ALA 33 HB3 ALA 33 2.199 -9.214 -5.150 258 H ASP 34 HN ASP 34 5.419 -7.476 -2.278 259 HA ASP 34 HA ASP 34 7.667 -7.057 -2.222 260 1HB ASP 34 HB2 ASP 34 7.370 -9.824 -2.897 261 2HB ASP 34 HB1 ASP 34 8.760 -9.180 -3.763 262 H ASP 35 HN ASP 35 8.041 -5.277 -3.368 263 HA ASP 35 HA ASP 35 9.480 -5.275 -5.748 264 1HB ASP 35 HB2 ASP 35 7.022 -5.990 -6.491 265 2HB ASP 35 HB1 ASP 35 6.747 -4.254 -6.419 266 H SER 36 HN SER 36 7.902 -2.713 -6.674 267 HA SER 36 HA SER 36 8.756 -1.063 -4.383 268 1HB SER 36 HB2 SER 36 9.207 0.740 -6.186 269 2HB SER 36 HB1 SER 36 10.370 -0.577 -6.037 270 HG SER 36 HG SER 36 8.453 -0.105 -8.034 271 H VAL 37 HN VAL 37 7.169 -0.067 -3.473 272 HA VAL 37 HA VAL 37 4.993 1.130 -4.970 273 HB VAL 37 HB VAL 37 4.620 -1.308 -3.856 274 1HG1 VAL 37 HG11 VAL 37 3.293 0.499 -1.876 275 2HG1 VAL 37 HG12 VAL 37 4.926 -0.102 -1.587 276 3HG1 VAL 37 HG13 VAL 37 3.593 -1.232 -1.781 277 1HG2 VAL 37 HG21 VAL 37 2.144 0.084 -3.686 278 2HG2 VAL 37 HG22 VAL 37 2.727 -0.979 -4.965 279 3HG2 VAL 37 HG23 VAL 37 3.064 0.750 -5.034 280 H SER 38 HN SER 38 3.401 2.217 -3.229 281 HA SER 38 HA SER 38 5.071 4.089 -1.830 282 1HB SER 38 HB2 SER 38 2.941 4.635 -3.173 283 2HB SER 38 HB1 SER 38 2.062 4.052 -1.760 284 HG SER 38 HG SER 38 3.183 5.632 -0.526 285 H ALA 39 HN ALA 39 4.688 4.633 0.468 286 HA ALA 39 HA ALA 39 3.738 2.374 2.071 287 1HB ALA 39 HB1 ALA 39 6.232 2.658 2.066 288 2HB ALA 39 HB2 ALA 39 5.482 2.760 3.659 289 3HB ALA 39 HB3 ALA 39 5.991 4.230 2.828 290 H GLN 40 HN GLN 40 2.552 2.887 3.911 291 HA GLN 40 HA GLN 40 1.154 4.100 5.235 292 1HB GLN 40 HB2 GLN 40 2.785 6.517 4.426 293 2HB GLN 40 HB1 GLN 40 1.726 6.381 5.823 294 1HG GLN 40 HG2 GLN 40 4.128 4.623 5.461 295 2HG GLN 40 HG1 GLN 40 4.222 6.206 6.232 296 1HE2 GLN 40 HE21 GLN 40 4.984 4.085 7.669 297 2HE2 GLN 40 HE22 GLN 40 3.820 3.710 8.890 298 H GLU 41 HN GLU 41 1.197 4.139 2.068 299 HA GLU 41 HA GLU 41 -0.371 6.265 1.235 300 1HB GLU 41 HB2 GLU 41 0.495 3.763 0.171 301 2HB GLU 41 HB1 GLU 41 -1.213 3.958 -0.160 302 1HG GLU 41 HG2 GLU 41 0.989 5.868 -0.887 303 2HG GLU 41 HG1 GLU 41 0.097 4.820 -1.985 304 H LYS 42 HN LYS 42 -1.020 3.530 3.207 305 HA LYS 42 HA LYS 42 -3.123 2.485 3.673 306 1HB LYS 42 HB2 LYS 42 -3.961 3.892 5.631 307 2HB LYS 42 HB1 LYS 42 -2.300 3.319 5.681 308 1HG LYS 42 HG2 LYS 42 -1.516 5.384 5.824 309 2HG LYS 42 HG1 LYS 42 -2.441 5.900 4.416 310 1HD LYS 42 HD2 LYS 42 -4.172 5.538 6.695 311 2HD LYS 42 HD1 LYS 42 -2.849 6.638 7.085 312 1HE LYS 42 HE2 LYS 42 -3.765 8.270 5.882 313 2HE LYS 42 HE1 LYS 42 -3.921 7.220 4.475 314 1HZ LYS 42 HZ1 LYS 42 -6.028 8.209 5.526 315 2HZ LYS 42 HZ2 LYS 42 -5.834 7.015 6.708 316 3HZ LYS 42 HZ3 LYS 42 -6.038 6.575 5.088 317 H GLN 43 HN GLN 43 -3.678 5.950 3.002 318 HA GLN 43 HA GLN 43 -6.357 6.177 3.056 319 1HB GLN 43 HB2 GLN 43 -4.636 7.895 2.308 320 2HB GLN 43 HB1 GLN 43 -4.780 7.198 0.700 321 1HG GLN 43 HG2 GLN 43 -6.408 8.668 0.368 322 2HG GLN 43 HG1 GLN 43 -7.395 7.644 1.412 323 1HE2 GLN 43 HE21 GLN 43 -5.520 10.562 1.192 324 2HE2 GLN 43 HE22 GLN 43 -6.083 11.276 2.662 325 H THR 44 HN THR 44 -4.626 4.068 0.938 326 HA THR 44 HA THR 44 -6.226 3.808 -1.259 327 HB THR 44 HB THR 44 -4.124 2.414 -0.173 328 HG1 THR 44 HG1 THR 44 -4.089 1.421 -2.122 329 1HG2 THR 44 HG21 THR 44 -4.742 0.034 -0.270 330 2HG2 THR 44 HG22 THR 44 -6.442 0.497 -0.315 331 3HG2 THR 44 HG23 THR 44 -5.462 0.876 1.101 332 H LEU 45 HN LEU 45 -6.679 2.199 1.880 333 HA LEU 45 HA LEU 45 -8.899 0.676 1.319 334 1HB LEU 45 HB2 LEU 45 -8.452 2.161 3.903 335 2HB LEU 45 HB1 LEU 45 -9.372 0.685 3.680 336 HG LEU 45 HG LEU 45 -6.561 0.491 2.834 337 1HD1 LEU 45 HD11 LEU 45 -7.257 0.904 5.737 338 2HD1 LEU 45 HD12 LEU 45 -6.239 1.945 4.742 339 3HD1 LEU 45 HD13 LEU 45 -5.712 0.307 5.132 340 1HD2 LEU 45 HD21 LEU 45 -6.767 -1.672 3.564 341 2HD2 LEU 45 HD22 LEU 45 -8.446 -1.303 3.168 342 3HD2 LEU 45 HD23 LEU 45 -7.902 -1.250 4.846 343 H ILE 46 HN ILE 46 -8.922 3.999 2.628 344 HA ILE 46 HA ILE 46 -11.745 4.257 2.487 345 HB ILE 46 HB ILE 46 -9.755 6.518 2.569 346 1HG1 ILE 46 HG12 ILE 46 -10.549 6.147 5.153 347 2HG1 ILE 46 HG11 ILE 46 -10.471 4.484 4.581 348 1HG2 ILE 46 HG21 ILE 46 -12.409 6.513 3.924 349 2HG2 ILE 46 HG22 ILE 46 -12.332 6.796 2.184 350 3HG2 ILE 46 HG23 ILE 46 -11.468 7.863 3.291 351 1HD1 ILE 46 HD11 ILE 46 -8.164 6.184 3.912 352 2HD1 ILE 46 HD12 ILE 46 -8.228 4.501 4.435 353 3HD1 ILE 46 HD13 ILE 46 -8.386 5.800 5.618 354 H ASP 47 HN ASP 47 -9.197 5.823 0.524 355 HA ASP 47 HA ASP 47 -10.782 7.173 -1.260 356 1HB ASP 47 HB2 ASP 47 -8.089 6.699 -1.017 357 2HB ASP 47 HB1 ASP 47 -8.467 5.915 -2.548 358 H HIS 48 HN HIS 48 -9.257 4.070 -2.115 359 HA HIS 48 HA HIS 48 -10.664 3.551 -4.413 360 1HB HIS 48 HB2 HIS 48 -9.609 1.595 -2.365 361 2HB HIS 48 HB1 HIS 48 -10.182 1.131 -3.963 362 HD1 HIS 48 HD1 HIS 48 -7.522 3.359 -2.419 363 HD2 HIS 48 HD2 HIS 48 -8.243 1.175 -5.876 364 HE1 HIS 48 HE1 HIS 48 -5.402 3.503 -3.776 365 HE2 HIS 48 HE2 HIS 48 -5.867 2.137 -5.824 366 H LEU 49 HN LEU 49 -11.530 2.507 -1.120 367 HA LEU 49 HA LEU 49 -13.809 1.061 -1.680 368 1HB LEU 49 HB2 LEU 49 -12.958 2.715 0.648 369 2HB LEU 49 HB1 LEU 49 -14.610 2.132 0.603 370 HG LEU 49 HG LEU 49 -12.164 0.369 0.450 371 1HD1 LEU 49 HD11 LEU 49 -13.381 -0.289 2.760 372 2HD1 LEU 49 HD12 LEU 49 -13.721 1.441 2.707 373 3HD1 LEU 49 HD13 LEU 49 -12.055 0.868 2.644 374 1HD2 LEU 49 HD21 LEU 49 -13.867 -1.415 0.930 375 2HD2 LEU 49 HD22 LEU 49 -13.968 -0.689 -0.673 376 3HD2 LEU 49 HD23 LEU 49 -15.113 -0.217 0.582 377 H ASN 50 HN ASN 50 -13.975 4.424 -0.509 378 HA ASN 50 HA ASN 50 -16.623 4.783 -1.480 379 1HB ASN 50 HB2 ASN 50 -14.547 6.618 -0.317 380 2HB ASN 50 HB1 ASN 50 -16.039 7.268 -0.990 381 1HD2 ASN 50 HD21 ASN 50 -18.042 6.019 -0.196 382 2HD2 ASN 50 HD22 ASN 50 -18.106 5.733 1.506 Start of MODEL 3 1 1H THR 2 HT1 THR 2 9.364 7.008 2.495 2 2H THR 2 HT2 THR 2 9.186 8.618 3.063 3 3H THR 2 HT3 THR 2 9.785 8.325 1.481 4 HA THR 2 HA THR 2 7.074 7.951 2.532 5 HB THR 2 HB THR 2 7.741 10.165 1.685 6 HG1 THR 2 HG1 THR 2 6.083 10.328 0.113 7 1HG2 THR 2 HG21 THR 2 8.872 8.607 -0.498 8 2HG2 THR 2 HG22 THR 2 9.236 10.247 0.041 9 3HG2 THR 2 HG23 THR 2 7.867 9.954 -1.033 10 H ASP 3 HN ASP 3 9.450 6.767 0.288 11 HA ASP 3 HA ASP 3 7.439 4.906 -0.793 12 1HB ASP 3 HB2 ASP 3 9.523 6.512 -2.207 13 2HB ASP 3 HB1 ASP 3 9.126 4.914 -2.832 14 H VAL 4 HN VAL 4 7.921 2.793 -0.660 15 HA VAL 4 HA VAL 4 10.696 1.958 -0.313 16 HB VAL 4 HB VAL 4 8.747 0.661 1.522 17 1HG1 VAL 4 HG11 VAL 4 10.748 -0.353 1.804 18 2HG1 VAL 4 HG12 VAL 4 11.002 0.983 2.926 19 3HG1 VAL 4 HG13 VAL 4 11.663 1.065 1.292 20 1HG2 VAL 4 HG21 VAL 4 8.230 2.951 2.000 21 2HG2 VAL 4 HG22 VAL 4 9.941 3.382 2.036 22 3HG2 VAL 4 HG23 VAL 4 9.265 2.344 3.293 23 H THR 5 HN THR 5 10.663 -0.606 -0.186 24 HA THR 5 HA THR 5 9.153 -1.400 -2.525 25 HB THR 5 HB THR 5 10.640 -3.103 -2.815 26 HG1 THR 5 HG1 THR 5 10.256 -4.298 -0.995 27 1HG2 THR 5 HG21 THR 5 12.310 -1.454 -0.938 28 2HG2 THR 5 HG22 THR 5 11.969 -1.018 -2.613 29 3HG2 THR 5 HG23 THR 5 12.870 -2.489 -2.251 30 H ILE 6 HN ILE 6 7.365 -2.427 -2.535 31 HA ILE 6 HA ILE 6 5.846 -3.002 -0.290 32 HB ILE 6 HB ILE 6 4.953 -2.708 -2.621 33 1HG1 ILE 6 HG12 ILE 6 3.037 -4.110 -2.223 34 2HG1 ILE 6 HG11 ILE 6 3.973 -5.184 -1.200 35 1HG2 ILE 6 HG21 ILE 6 4.667 -4.859 -3.908 36 2HG2 ILE 6 HG22 ILE 6 5.946 -5.523 -2.896 37 3HG2 ILE 6 HG23 ILE 6 6.271 -4.135 -3.933 38 1HD1 ILE 6 HD11 ILE 6 3.339 -4.001 0.556 39 2HD1 ILE 6 HD12 ILE 6 2.502 -2.858 -0.480 40 3HD1 ILE 6 HD13 ILE 6 4.193 -2.605 -0.090 41 H LYS 7 HN LYS 7 5.010 -4.909 0.514 42 HA LYS 7 HA LYS 7 4.989 -7.182 1.026 43 1HB LYS 7 HB2 LYS 7 6.575 -7.455 -1.092 44 2HB LYS 7 HB1 LYS 7 7.811 -7.635 0.142 45 1HG LYS 7 HG2 LYS 7 5.291 -9.257 0.189 46 2HG LYS 7 HG1 LYS 7 6.694 -9.746 -0.762 47 1HD LYS 7 HD2 LYS 7 6.994 -9.058 2.136 48 2HD LYS 7 HD1 LYS 7 6.410 -10.652 1.654 49 1HE LYS 7 HE2 LYS 7 8.424 -10.963 0.288 50 2HE LYS 7 HE1 LYS 7 9.009 -9.381 0.799 51 1HZ LYS 7 HZ1 LYS 7 8.554 -11.748 2.531 52 2HZ LYS 7 HZ2 LYS 7 8.967 -10.213 3.107 53 3HZ LYS 7 HZ3 LYS 7 10.045 -11.063 2.120 54 H THR 8 HN THR 8 8.417 -6.129 1.278 55 HA THR 8 HA THR 8 8.698 -6.911 3.966 56 HB THR 8 HB THR 8 10.126 -4.463 3.008 57 HG1 THR 8 HG1 THR 8 10.379 -7.025 1.848 58 1HG2 THR 8 HG21 THR 8 11.569 -5.030 4.577 59 2HG2 THR 8 HG22 THR 8 11.847 -6.583 3.786 60 3HG2 THR 8 HG23 THR 8 10.566 -6.421 4.987 61 H LEU 9 HN LEU 9 7.697 -3.969 2.376 62 HA LEU 9 HA LEU 9 7.086 -2.486 4.737 63 1HB LEU 9 HB2 LEU 9 7.430 -1.799 2.132 64 2HB LEU 9 HB1 LEU 9 5.679 -1.821 2.225 65 HG LEU 9 HG LEU 9 5.785 -0.225 4.120 66 1HD1 LEU 9 HD11 LEU 9 7.695 0.493 5.064 67 2HD1 LEU 9 HD12 LEU 9 8.572 0.502 3.535 68 3HD1 LEU 9 HD13 LEU 9 8.352 -1.010 4.414 69 1HD2 LEU 9 HD21 LEU 9 6.845 1.675 2.652 70 2HD2 LEU 9 HD22 LEU 9 5.338 0.897 2.173 71 3HD2 LEU 9 HD23 LEU 9 6.856 0.416 1.419 72 H ALA 10 HN ALA 10 5.249 -4.339 2.334 73 HA ALA 10 HA ALA 10 2.669 -3.985 3.151 74 1HB ALA 10 HB1 ALA 10 2.367 -5.494 1.560 75 2HB ALA 10 HB2 ALA 10 2.931 -6.753 2.657 76 3HB ALA 10 HB3 ALA 10 4.067 -5.911 1.621 77 H ALA 11 HN ALA 11 4.994 -6.344 4.390 78 HA ALA 11 HA ALA 11 3.388 -7.438 6.419 79 1HB ALA 11 HB1 ALA 11 6.362 -7.196 6.695 80 2HB ALA 11 HB2 ALA 11 5.666 -8.252 5.465 81 3HB ALA 11 HB3 ALA 11 5.302 -8.523 7.169 82 H GLU 12 HN GLU 12 5.803 -4.842 6.414 83 HA GLU 12 HA GLU 12 6.030 -4.034 8.945 84 1HB GLU 12 HB2 GLU 12 6.547 -2.844 6.570 85 2HB GLU 12 HB1 GLU 12 5.254 -1.808 7.158 86 1HG GLU 12 HG2 GLU 12 6.584 -1.601 9.301 87 2HG GLU 12 HG1 GLU 12 7.916 -2.356 8.428 88 H ARG 13 HN ARG 13 3.422 -2.463 6.997 89 HA ARG 13 HA ARG 13 2.001 -1.855 9.388 90 1HB ARG 13 HB2 ARG 13 1.294 -1.646 6.484 91 2HB ARG 13 HB1 ARG 13 0.148 -1.241 7.752 92 1HG ARG 13 HG2 ARG 13 2.839 0.053 7.364 93 2HG ARG 13 HG1 ARG 13 1.293 0.739 6.868 94 1HD ARG 13 HD2 ARG 13 1.353 -0.090 9.667 95 2HD ARG 13 HD1 ARG 13 2.541 1.153 9.282 96 HE ARG 13 HE ARG 13 -0.099 1.711 8.286 97 1HH1 ARG 13 HH11 ARG 13 2.062 2.003 11.010 98 2HH1 ARG 13 HH12 ARG 13 1.219 3.351 11.694 99 1HH2 ARG 13 HH21 ARG 13 -1.210 3.483 9.187 100 2HH2 ARG 13 HH22 ARG 13 -0.639 4.191 10.660 101 H GLN 14 HN GLN 14 1.570 -4.083 6.789 102 HA GLN 14 HA GLN 14 0.722 -6.219 6.743 103 1HB GLN 14 HB2 GLN 14 1.317 -6.092 9.325 104 2HB GLN 14 HB1 GLN 14 -0.433 -6.017 9.489 105 1HG GLN 14 HG2 GLN 14 -0.312 -8.096 7.864 106 2HG GLN 14 HG1 GLN 14 1.298 -8.241 8.568 107 1HE2 GLN 14 HE21 GLN 14 -2.082 -7.756 9.519 108 2HE2 GLN 14 HE22 GLN 14 -2.002 -8.732 10.941 109 H THR 15 HN THR 15 -1.306 -4.000 8.626 110 HA THR 15 HA THR 15 -3.609 -4.829 7.005 111 HB THR 15 HB THR 15 -3.866 -5.092 9.441 112 HG1 THR 15 HG1 THR 15 -5.643 -4.395 8.017 113 1HG2 THR 15 HG21 THR 15 -2.403 -3.147 10.069 114 2HG2 THR 15 HG22 THR 15 -3.920 -3.292 10.957 115 3HG2 THR 15 HG23 THR 15 -3.766 -2.102 9.664 116 H SER 16 HN SER 16 -1.329 -2.664 6.658 117 HA SER 16 HA SER 16 -3.203 -0.604 5.739 118 1HB SER 16 HB2 SER 16 -0.519 0.290 6.670 119 2HB SER 16 HB1 SER 16 -2.059 1.140 6.686 120 HG SER 16 HG SER 16 -2.393 0.426 8.625 121 H VAL 17 HN VAL 17 0.344 -0.393 5.397 122 HA VAL 17 HA VAL 17 0.196 0.252 2.804 123 HB VAL 17 HB VAL 17 2.157 0.749 3.927 124 1HG1 VAL 17 HG11 VAL 17 2.127 -2.100 4.636 125 2HG1 VAL 17 HG12 VAL 17 2.777 -0.716 5.513 126 3HG1 VAL 17 HG13 VAL 17 3.721 -1.466 4.229 127 1HG2 VAL 17 HG21 VAL 17 3.541 -1.139 2.218 128 2HG2 VAL 17 HG22 VAL 17 3.409 0.615 2.093 129 3HG2 VAL 17 HG23 VAL 17 2.156 -0.414 1.403 130 H GLU 18 HN GLU 18 0.747 -3.213 3.827 131 HA GLU 18 HA GLU 18 1.091 -4.200 1.265 132 1HB GLU 18 HB2 GLU 18 1.072 -5.547 3.418 133 2HB GLU 18 HB1 GLU 18 -0.682 -5.526 3.328 134 1HG GLU 18 HG2 GLU 18 0.286 -6.409 0.822 135 2HG GLU 18 HG1 GLU 18 1.148 -7.299 2.075 136 H ARG 19 HN ARG 19 -1.962 -3.593 2.916 137 HA ARG 19 HA ARG 19 -3.664 -4.255 0.804 138 1HB ARG 19 HB2 ARG 19 -4.255 -2.150 2.861 139 2HB ARG 19 HB1 ARG 19 -5.399 -3.193 2.028 140 1HG ARG 19 HG2 ARG 19 -3.909 -5.054 3.253 141 2HG ARG 19 HG1 ARG 19 -3.721 -3.720 4.394 142 1HD ARG 19 HD2 ARG 19 -5.987 -3.639 4.871 143 2HD ARG 19 HD1 ARG 19 -6.435 -4.442 3.366 144 HE ARG 19 HE ARG 19 -4.913 -6.138 5.087 145 1HH1 ARG 19 HH11 ARG 19 -8.116 -4.884 4.493 146 2HH1 ARG 19 HH12 ARG 19 -8.915 -6.223 5.244 147 1HH2 ARG 19 HH21 ARG 19 -5.963 -7.899 6.077 148 2HH2 ARG 19 HH22 ARG 19 -7.694 -7.935 6.145 149 H LEU 20 HN LEU 20 -2.214 -1.299 1.804 150 HA LEU 20 HA LEU 20 -3.450 0.467 0.066 151 1HB LEU 20 HB2 LEU 20 -2.055 2.066 0.834 152 2HB LEU 20 HB1 LEU 20 -1.845 0.864 2.082 153 HG LEU 20 HG LEU 20 0.308 0.176 1.012 154 1HD1 LEU 20 HD11 LEU 20 -0.657 1.906 -1.089 155 2HD1 LEU 20 HD12 LEU 20 0.734 0.825 -1.087 156 3HD1 LEU 20 HD13 LEU 20 0.897 2.474 -0.494 157 1HD2 LEU 20 HD21 LEU 20 0.530 3.081 1.467 158 2HD2 LEU 20 HD22 LEU 20 1.445 1.753 2.162 159 3HD2 LEU 20 HD23 LEU 20 -0.175 2.118 2.755 160 H VAL 21 HN VAL 21 -0.414 -1.272 -0.446 161 HA VAL 21 HA VAL 21 0.247 -0.192 -2.883 162 HB VAL 21 HB VAL 21 1.801 -1.567 -1.690 163 1HG1 VAL 21 HG11 VAL 21 0.581 -3.186 -0.594 164 2HG1 VAL 21 HG12 VAL 21 1.462 -4.097 -1.808 165 3HG1 VAL 21 HG13 VAL 21 -0.229 -3.717 -2.061 166 1HG2 VAL 21 HG21 VAL 21 2.677 -2.864 -3.516 167 2HG2 VAL 21 HG22 VAL 21 1.990 -1.363 -4.132 168 3HG2 VAL 21 HG23 VAL 21 1.095 -2.871 -4.293 169 H GLN 22 HN GLN 22 -1.785 -3.076 -2.233 170 HA GLN 22 HA GLN 22 -2.181 -3.769 -4.892 171 1HB GLN 22 HB2 GLN 22 -4.329 -3.990 -2.800 172 2HB GLN 22 HB1 GLN 22 -4.079 -5.029 -4.197 173 1HG GLN 22 HG2 GLN 22 -1.835 -5.620 -3.116 174 2HG GLN 22 HG1 GLN 22 -2.505 -4.895 -1.655 175 1HE2 GLN 22 HE21 GLN 22 -2.743 -6.670 -0.420 176 2HE2 GLN 22 HE22 GLN 22 -3.762 -8.008 -0.816 177 H GLN 23 HN GLN 23 -4.654 -2.049 -3.012 178 HA GLN 23 HA GLN 23 -6.210 -1.310 -5.166 179 1HB GLN 23 HB2 GLN 23 -5.899 -0.444 -2.410 180 2HB GLN 23 HB1 GLN 23 -6.384 0.880 -3.459 181 1HG GLN 23 HG2 GLN 23 -8.304 -0.240 -2.463 182 2HG GLN 23 HG1 GLN 23 -8.301 -0.388 -4.220 183 1HE2 GLN 23 HE21 GLN 23 -8.655 -2.019 -1.350 184 2HE2 GLN 23 HE22 GLN 23 -8.456 -3.635 -1.927 185 H PHE 24 HN PHE 24 -3.545 0.524 -3.729 186 HA PHE 24 HA PHE 24 -3.694 2.714 -5.350 187 1HB PHE 24 HB2 PHE 24 -1.601 1.654 -3.596 188 2HB PHE 24 HB1 PHE 24 -1.097 2.833 -4.811 189 HD1 PHE 24 HD1 PHE 24 -2.836 4.798 -5.151 190 HD2 PHE 24 HD2 PHE 24 -2.375 2.529 -1.594 191 HE1 PHE 24 HE1 PHE 24 -3.995 6.558 -3.898 192 HE2 PHE 24 HE2 PHE 24 -3.517 4.291 -0.339 193 HZ PHE 24 HZ PHE 24 -4.354 6.287 -1.487 194 H ALA 25 HN ALA 25 -1.868 -0.229 -6.061 195 HA ALA 25 HA ALA 25 -0.522 0.574 -8.322 196 1HB ALA 25 HB1 ALA 25 -0.271 -1.643 -8.769 197 2HB ALA 25 HB2 ALA 25 -1.998 -1.967 -8.632 198 3HB ALA 25 HB3 ALA 25 -1.005 -1.851 -7.180 199 H ASP 26 HN ASP 26 -3.875 -0.424 -7.860 200 HA ASP 26 HA ASP 26 -4.768 0.145 -10.504 201 1HB ASP 26 HB2 ASP 26 -5.902 -0.929 -8.188 202 2HB ASP 26 HB1 ASP 26 -6.793 0.568 -8.449 203 H ALA 27 HN ALA 27 -4.824 2.001 -7.455 204 HA ALA 27 HA ALA 27 -6.082 4.325 -8.179 205 1HB ALA 27 HB1 ALA 27 -3.939 5.196 -6.643 206 2HB ALA 27 HB2 ALA 27 -4.301 3.562 -6.110 207 3HB ALA 27 HB3 ALA 27 -5.565 4.779 -6.108 208 H GLY 28 HN GLY 28 -2.570 4.233 -7.925 209 1HA GLY 28 HA2 GLY 28 -1.705 4.888 -10.457 210 2HA GLY 28 HA1 GLY 28 -2.122 6.427 -9.702 211 H ILE 29 HN ILE 29 -0.790 3.476 -8.382 212 HA ILE 29 HA ILE 29 1.730 4.768 -7.665 213 HB ILE 29 HB ILE 29 0.436 3.063 -5.595 214 1HG1 ILE 29 HG12 ILE 29 -1.278 4.753 -6.289 215 2HG1 ILE 29 HG11 ILE 29 -0.742 4.927 -4.626 216 1HG2 ILE 29 HG21 ILE 29 2.387 3.618 -4.664 217 2HG2 ILE 29 HG22 ILE 29 1.671 5.208 -4.397 218 3HG2 ILE 29 HG23 ILE 29 2.668 4.918 -5.822 219 1HD1 ILE 29 HD11 ILE 29 0.878 6.531 -6.365 220 2HD1 ILE 29 HD12 ILE 29 -0.111 7.014 -4.988 221 3HD1 ILE 29 HD13 ILE 29 -0.833 6.892 -6.592 222 H ARG 30 HN ARG 30 3.042 2.821 -6.361 223 HA ARG 30 HA ARG 30 3.450 0.934 -8.473 224 1HB ARG 30 HB2 ARG 30 4.684 1.112 -5.721 225 2HB ARG 30 HB1 ARG 30 5.233 0.041 -7.003 226 1HG ARG 30 HG2 ARG 30 6.620 1.678 -7.593 227 2HG ARG 30 HG1 ARG 30 5.198 2.512 -8.219 228 1HD ARG 30 HD2 ARG 30 4.894 3.571 -6.005 229 2HD ARG 30 HD1 ARG 30 6.385 2.802 -5.462 230 HE ARG 30 HE ARG 30 7.232 4.122 -7.618 231 1HH1 ARG 30 HH11 ARG 30 5.220 5.161 -4.959 232 2HH1 ARG 30 HH12 ARG 30 5.736 6.811 -5.052 233 1HH2 ARG 30 HH21 ARG 30 7.907 6.292 -7.740 234 2HH2 ARG 30 HH22 ARG 30 7.259 7.454 -6.631 235 H LYS 31 HN LYS 31 3.347 -1.315 -8.330 236 HA LYS 31 HA LYS 31 0.972 -2.261 -7.022 237 1HB LYS 31 HB2 LYS 31 2.005 -2.748 -9.437 238 2HB LYS 31 HB1 LYS 31 2.664 -4.131 -8.573 239 1HG LYS 31 HG2 LYS 31 0.704 -5.175 -8.563 240 2HG LYS 31 HG1 LYS 31 -0.147 -3.737 -7.997 241 1HD LYS 31 HD2 LYS 31 -1.050 -4.321 -10.130 242 2HD LYS 31 HD1 LYS 31 -0.069 -2.871 -10.344 243 1HE LYS 31 HE2 LYS 31 0.697 -4.095 -12.106 244 2HE LYS 31 HE1 LYS 31 1.810 -4.661 -10.862 245 1HZ LYS 31 HZ1 LYS 31 -0.702 -6.116 -11.166 246 2HZ LYS 31 HZ2 LYS 31 0.843 -6.692 -10.792 247 3HZ LYS 31 HZ3 LYS 31 0.449 -6.310 -12.391 248 H SER 32 HN SER 32 0.800 -4.342 -6.053 249 HA SER 32 HA SER 32 2.758 -4.671 -3.947 250 1HB SER 32 HB2 SER 32 1.062 -5.681 -2.721 251 2HB SER 32 HB1 SER 32 0.172 -4.540 -3.728 252 HG SER 32 HG SER 32 -0.447 -6.199 -5.052 253 H ALA 33 HN ALA 33 2.901 -6.943 -3.053 254 HA ALA 33 HA ALA 33 3.358 -9.183 -3.242 255 1HB ALA 33 HB1 ALA 33 1.903 -9.109 -5.369 256 2HB ALA 33 HB2 ALA 33 3.086 -10.406 -5.202 257 3HB ALA 33 HB3 ALA 33 3.438 -9.020 -6.233 258 H ASP 34 HN ASP 34 5.267 -7.513 -2.554 259 HA ASP 34 HA ASP 34 7.540 -7.190 -2.544 260 1HB ASP 34 HB2 ASP 34 7.234 -9.835 -2.823 261 2HB ASP 34 HB1 ASP 34 8.030 -9.500 -4.358 262 H ASP 35 HN ASP 35 7.764 -5.332 -3.641 263 HA ASP 35 HA ASP 35 9.218 -5.188 -5.987 264 1HB ASP 35 HB2 ASP 35 7.207 -6.140 -7.103 265 2HB ASP 35 HB1 ASP 35 6.270 -4.754 -6.558 266 H SER 36 HN SER 36 6.696 -2.896 -6.379 267 HA SER 36 HA SER 36 8.118 -1.083 -4.543 268 1HB SER 36 HB2 SER 36 7.055 -0.510 -7.312 269 2HB SER 36 HB1 SER 36 7.479 0.766 -6.170 270 HG SER 36 HG SER 36 9.243 -1.291 -7.012 271 H VAL 37 HN VAL 37 6.970 0.179 -3.229 272 HA VAL 37 HA VAL 37 4.049 0.351 -3.462 273 HB VAL 37 HB VAL 37 4.547 -1.533 -1.951 274 1HG1 VAL 37 HG11 VAL 37 5.649 -1.157 0.186 275 2HG1 VAL 37 HG12 VAL 37 5.937 0.524 -0.258 276 3HG1 VAL 37 HG13 VAL 37 6.725 -0.769 -1.156 277 1HG2 VAL 37 HG21 VAL 37 3.029 -0.982 -0.273 278 2HG2 VAL 37 HG22 VAL 37 2.606 0.110 -1.588 279 3HG2 VAL 37 HG23 VAL 37 3.557 0.698 -0.224 280 H SER 38 HN SER 38 3.154 1.856 -1.749 281 HA SER 38 HA SER 38 5.004 4.068 -1.218 282 1HB SER 38 HB2 SER 38 3.018 4.382 -2.907 283 2HB SER 38 HB1 SER 38 2.038 4.475 -1.444 284 HG SER 38 HG SER 38 4.352 6.055 -1.831 285 H ALA 39 HN ALA 39 5.277 4.385 0.978 286 HA ALA 39 HA ALA 39 3.730 2.899 2.862 287 1HB ALA 39 HB1 ALA 39 6.289 3.608 2.863 288 2HB ALA 39 HB2 ALA 39 5.392 3.314 4.353 289 3HB ALA 39 HB3 ALA 39 5.644 4.965 3.786 290 H GLN 40 HN GLN 40 2.372 3.660 4.438 291 HA GLN 40 HA GLN 40 0.843 5.002 5.448 292 1HB GLN 40 HB2 GLN 40 3.017 6.827 4.781 293 2HB GLN 40 HB1 GLN 40 1.455 7.633 4.773 294 1HG GLN 40 HG2 GLN 40 1.590 5.988 7.082 295 2HG GLN 40 HG1 GLN 40 3.077 6.929 6.983 296 1HE2 GLN 40 HE21 GLN 40 1.108 7.219 8.976 297 2HE2 GLN 40 HE22 GLN 40 0.431 8.802 8.835 298 H GLU 41 HN GLU 41 1.073 4.492 2.324 299 HA GLU 41 HA GLU 41 -0.832 6.403 1.360 300 1HB GLU 41 HB2 GLU 41 0.819 4.332 0.210 301 2HB GLU 41 HB1 GLU 41 -0.837 4.187 -0.365 302 1HG GLU 41 HG2 GLU 41 -0.476 6.834 -0.639 303 2HG GLU 41 HG1 GLU 41 1.177 6.269 -0.872 304 H LYS 42 HN LYS 42 -0.973 3.756 3.392 305 HA LYS 42 HA LYS 42 -2.962 2.106 3.034 306 1HB LYS 42 HB2 LYS 42 -3.690 2.362 5.329 307 2HB LYS 42 HB1 LYS 42 -1.945 2.563 5.231 308 1HG LYS 42 HG2 LYS 42 -2.113 4.913 5.494 309 2HG LYS 42 HG1 LYS 42 -3.863 4.876 5.277 310 1HD LYS 42 HD2 LYS 42 -3.716 3.247 7.360 311 2HD LYS 42 HD1 LYS 42 -2.219 4.139 7.641 312 1HE LYS 42 HE2 LYS 42 -3.645 6.246 7.340 313 2HE LYS 42 HE1 LYS 42 -5.034 5.178 7.538 314 1HZ LYS 42 HZ1 LYS 42 -2.951 4.921 9.543 315 2HZ LYS 42 HZ2 LYS 42 -4.633 4.920 9.722 316 3HZ LYS 42 HZ3 LYS 42 -3.801 6.384 9.562 317 H GLN 43 HN GLN 43 -3.517 5.572 3.041 318 HA GLN 43 HA GLN 43 -6.203 5.844 3.363 319 1HB GLN 43 HB2 GLN 43 -4.553 7.176 1.208 320 2HB GLN 43 HB1 GLN 43 -6.096 7.751 1.826 321 1HG GLN 43 HG2 GLN 43 -3.503 7.553 3.337 322 2HG GLN 43 HG1 GLN 43 -4.318 9.024 2.806 323 1HE2 GLN 43 HE21 GLN 43 -3.613 7.476 5.462 324 2HE2 GLN 43 HE22 GLN 43 -5.027 7.748 6.418 325 H THR 44 HN THR 44 -4.660 3.993 0.906 326 HA THR 44 HA THR 44 -6.291 4.085 -1.264 327 HB THR 44 HB THR 44 -4.293 2.419 -0.358 328 HG1 THR 44 HG1 THR 44 -4.384 1.584 -2.420 329 1HG2 THR 44 HG21 THR 44 -5.088 0.125 -0.739 330 2HG2 THR 44 HG22 THR 44 -6.746 0.716 -0.748 331 3HG2 THR 44 HG23 THR 44 -5.772 0.847 0.716 332 H LEU 45 HN LEU 45 -6.862 2.162 1.688 333 HA LEU 45 HA LEU 45 -9.159 0.849 0.967 334 1HB LEU 45 HB2 LEU 45 -8.608 2.095 3.660 335 2HB LEU 45 HB1 LEU 45 -9.744 0.799 3.340 336 HG LEU 45 HG LEU 45 -6.804 0.502 2.775 337 1HD1 LEU 45 HD11 LEU 45 -6.315 -0.027 4.911 338 2HD1 LEU 45 HD12 LEU 45 -7.915 -0.698 5.226 339 3HD1 LEU 45 HD13 LEU 45 -7.668 1.048 5.261 340 1HD2 LEU 45 HD21 LEU 45 -7.688 -1.937 3.393 341 2HD2 LEU 45 HD22 LEU 45 -7.767 -1.281 1.757 342 3HD2 LEU 45 HD23 LEU 45 -9.194 -1.245 2.792 343 H ILE 46 HN ILE 46 -8.958 4.110 2.395 344 HA ILE 46 HA ILE 46 -11.757 4.575 2.305 345 HB ILE 46 HB ILE 46 -9.581 6.662 2.400 346 1HG1 ILE 46 HG12 ILE 46 -10.937 5.700 4.869 347 2HG1 ILE 46 HG11 ILE 46 -9.706 4.653 4.168 348 1HG2 ILE 46 HG21 ILE 46 -11.165 8.181 2.891 349 2HG2 ILE 46 HG22 ILE 46 -12.113 7.040 3.845 350 3HG2 ILE 46 HG23 ILE 46 -12.241 7.038 2.086 351 1HD1 ILE 46 HD11 ILE 46 -8.441 5.881 5.607 352 2HD1 ILE 46 HD12 ILE 46 -9.435 7.326 5.427 353 3HD1 ILE 46 HD13 ILE 46 -8.302 6.872 4.154 354 H ASP 47 HN ASP 47 -9.125 5.954 0.313 355 HA ASP 47 HA ASP 47 -10.695 7.411 -1.438 356 1HB ASP 47 HB2 ASP 47 -8.002 6.117 -1.742 357 2HB ASP 47 HB1 ASP 47 -8.734 7.009 -3.073 358 H HIS 48 HN HIS 48 -9.166 4.332 -2.354 359 HA HIS 48 HA HIS 48 -10.524 3.861 -4.686 360 1HB HIS 48 HB2 HIS 48 -9.507 1.881 -2.644 361 2HB HIS 48 HB1 HIS 48 -10.084 1.417 -4.239 362 HD1 HIS 48 HD1 HIS 48 -7.400 3.640 -2.714 363 HD2 HIS 48 HD2 HIS 48 -8.124 1.381 -6.123 364 HE1 HIS 48 HE1 HIS 48 -5.249 3.678 -4.029 365 HE2 HIS 48 HE2 HIS 48 -5.738 2.321 -6.080 366 H LEU 49 HN LEU 49 -11.468 2.723 -1.437 367 HA LEU 49 HA LEU 49 -13.761 1.334 -2.195 368 1HB LEU 49 HB2 LEU 49 -12.751 1.227 0.045 369 2HB LEU 49 HB1 LEU 49 -13.310 2.858 0.369 370 HG LEU 49 HG LEU 49 -15.414 0.954 -0.431 371 1HD1 LEU 49 HD11 LEU 49 -13.666 -0.218 1.157 372 2HD1 LEU 49 HD12 LEU 49 -15.402 -0.419 1.391 373 3HD1 LEU 49 HD13 LEU 49 -14.506 0.725 2.389 374 1HD2 LEU 49 HD21 LEU 49 -16.277 2.973 0.229 375 2HD2 LEU 49 HD22 LEU 49 -15.036 3.227 1.457 376 3HD2 LEU 49 HD23 LEU 49 -16.345 2.081 1.749 377 H ASN 50 HN ASN 50 -13.860 4.519 -0.595 378 HA ASN 50 HA ASN 50 -16.505 5.071 -1.378 379 1HB ASN 50 HB2 ASN 50 -14.269 6.634 -0.187 380 2HB ASN 50 HB1 ASN 50 -15.600 7.540 -0.900 381 1HD2 ASN 50 HD21 ASN 50 -17.480 7.699 0.172 382 2HD2 ASN 50 HD22 ASN 50 -17.801 6.960 1.700 Start of MODEL 4 1 1H THR 2 HT1 THR 2 9.706 8.314 1.377 2 2H THR 2 HT2 THR 2 8.811 9.757 1.630 3 3H THR 2 HT3 THR 2 8.708 8.934 0.128 4 HA THR 2 HA THR 2 7.932 7.687 2.665 5 HB THR 2 HB THR 2 6.642 9.724 2.463 6 HG1 THR 2 HG1 THR 2 5.366 8.061 3.114 7 1HG2 THR 2 HG21 THR 2 6.250 10.662 0.504 8 2HG2 THR 2 HG22 THR 2 5.092 9.376 0.166 9 3HG2 THR 2 HG23 THR 2 6.770 9.207 -0.348 10 H ASP 3 HN ASP 3 9.276 6.858 0.078 11 HA ASP 3 HA ASP 3 7.275 4.849 -0.722 12 1HB ASP 3 HB2 ASP 3 8.286 4.839 -2.965 13 2HB ASP 3 HB1 ASP 3 7.665 6.433 -2.549 14 H VAL 4 HN VAL 4 7.878 2.758 -0.671 15 HA VAL 4 HA VAL 4 10.709 2.073 -0.470 16 HB VAL 4 HB VAL 4 8.940 0.656 1.454 17 1HG1 VAL 4 HG11 VAL 4 11.016 -0.217 1.638 18 2HG1 VAL 4 HG12 VAL 4 11.234 1.135 2.749 19 3HG1 VAL 4 HG13 VAL 4 11.806 1.259 1.085 20 1HG2 VAL 4 HG21 VAL 4 9.200 2.310 3.190 21 2HG2 VAL 4 HG22 VAL 4 8.385 3.047 1.810 22 3HG2 VAL 4 HG23 VAL 4 10.096 3.367 2.099 23 H THR 5 HN THR 5 10.820 -0.490 -0.347 24 HA THR 5 HA THR 5 9.289 -1.365 -2.631 25 HB THR 5 HB THR 5 10.822 -3.015 -2.925 26 HG1 THR 5 HG1 THR 5 11.092 -3.147 -0.107 27 1HG2 THR 5 HG21 THR 5 12.864 -2.116 -2.794 28 2HG2 THR 5 HG22 THR 5 12.738 -1.815 -1.060 29 3HG2 THR 5 HG23 THR 5 11.997 -0.698 -2.205 30 H ILE 6 HN ILE 6 7.526 -2.443 -2.616 31 HA ILE 6 HA ILE 6 6.021 -3.013 -0.357 32 HB ILE 6 HB ILE 6 5.196 -2.803 -2.750 33 1HG1 ILE 6 HG12 ILE 6 4.105 -3.838 -0.482 34 2HG1 ILE 6 HG11 ILE 6 3.228 -3.525 -1.960 35 1HG2 ILE 6 HG21 ILE 6 6.188 -5.610 -2.827 36 2HG2 ILE 6 HG22 ILE 6 6.345 -4.327 -4.024 37 3HG2 ILE 6 HG23 ILE 6 4.792 -5.122 -3.782 38 1HD1 ILE 6 HD11 ILE 6 4.384 -6.157 -1.103 39 2HD1 ILE 6 HD12 ILE 6 3.576 -5.859 -2.640 40 3HD1 ILE 6 HD13 ILE 6 2.678 -5.710 -1.130 41 H LYS 7 HN LYS 7 5.317 -4.869 0.581 42 HA LYS 7 HA LYS 7 5.344 -7.167 1.082 43 1HB LYS 7 HB2 LYS 7 6.989 -7.479 -0.939 44 2HB LYS 7 HB1 LYS 7 8.236 -7.421 0.296 45 1HG LYS 7 HG2 LYS 7 5.919 -9.280 0.593 46 2HG LYS 7 HG1 LYS 7 7.268 -9.701 -0.464 47 1HD LYS 7 HD2 LYS 7 8.788 -9.766 1.302 48 2HD LYS 7 HD1 LYS 7 7.748 -8.809 2.357 49 1HE LYS 7 HE2 LYS 7 6.562 -10.603 3.033 50 2HE LYS 7 HE1 LYS 7 6.602 -11.357 1.440 51 1HZ LYS 7 HZ1 LYS 7 7.994 -12.771 2.461 52 2HZ LYS 7 HZ2 LYS 7 8.402 -11.682 3.688 53 3HZ LYS 7 HZ3 LYS 7 9.157 -11.575 2.178 54 H THR 8 HN THR 8 8.707 -5.972 1.506 55 HA THR 8 HA THR 8 8.828 -6.656 4.240 56 HB THR 8 HB THR 8 10.324 -4.299 3.109 57 HG1 THR 8 HG1 THR 8 10.733 -7.029 2.498 58 1HG2 THR 8 HG21 THR 8 12.214 -5.460 4.350 59 2HG2 THR 8 HG22 THR 8 10.956 -6.437 5.106 60 3HG2 THR 8 HG23 THR 8 10.960 -4.686 5.319 61 H LEU 9 HN LEU 9 7.980 -3.751 2.494 62 HA LEU 9 HA LEU 9 7.266 -2.167 4.759 63 1HB LEU 9 HB2 LEU 9 7.857 -1.444 2.308 64 2HB LEU 9 HB1 LEU 9 6.151 -1.725 2.016 65 HG LEU 9 HG LEU 9 5.591 -0.081 3.771 66 1HD1 LEU 9 HD11 LEU 9 8.580 0.225 3.913 67 2HD1 LEU 9 HD12 LEU 9 7.471 -0.204 5.215 68 3HD1 LEU 9 HD13 LEU 9 7.448 1.424 4.536 69 1HD2 LEU 9 HD21 LEU 9 6.904 1.872 2.448 70 2HD2 LEU 9 HD22 LEU 9 5.458 1.067 1.840 71 3HD2 LEU 9 HD23 LEU 9 7.052 0.544 1.298 72 H ALA 10 HN ALA 10 5.572 -4.092 2.343 73 HA ALA 10 HA ALA 10 2.942 -3.700 2.891 74 1HB ALA 10 HB1 ALA 10 2.929 -6.368 2.525 75 2HB ALA 10 HB2 ALA 10 4.524 -5.959 1.927 76 3HB ALA 10 HB3 ALA 10 3.108 -5.196 1.220 77 H ALA 11 HN ALA 11 5.112 -5.999 4.505 78 HA ALA 11 HA ALA 11 3.230 -6.850 6.455 79 1HB ALA 11 HB1 ALA 11 5.377 -8.036 5.717 80 2HB ALA 11 HB2 ALA 11 5.000 -8.044 7.440 81 3HB ALA 11 HB3 ALA 11 6.215 -6.933 6.808 82 H GLU 12 HN GLU 12 5.927 -4.570 6.463 83 HA GLU 12 HA GLU 12 6.274 -3.621 8.871 84 1HB GLU 12 HB2 GLU 12 6.914 -2.581 6.585 85 2HB GLU 12 HB1 GLU 12 5.495 -1.571 6.830 86 1HG GLU 12 HG2 GLU 12 7.539 -1.785 8.988 87 2HG GLU 12 HG1 GLU 12 7.847 -0.758 7.590 88 H ARG 13 HN ARG 13 3.547 -2.093 7.040 89 HA ARG 13 HA ARG 13 2.460 -1.104 9.471 90 1HB ARG 13 HB2 ARG 13 1.173 -1.314 6.766 91 2HB ARG 13 HB1 ARG 13 0.526 -0.411 8.126 92 1HG ARG 13 HG2 ARG 13 3.267 0.321 7.470 93 2HG ARG 13 HG1 ARG 13 2.128 0.602 6.153 94 1HD ARG 13 HD2 ARG 13 2.458 2.522 7.758 95 2HD ARG 13 HD1 ARG 13 0.791 2.026 7.475 96 HE ARG 13 HE ARG 13 1.614 0.627 9.697 97 1HH1 ARG 13 HH11 ARG 13 1.325 3.989 8.804 98 2HH1 ARG 13 HH12 ARG 13 1.022 4.521 10.423 99 1HH2 ARG 13 HH21 ARG 13 1.214 1.325 11.826 100 2HH2 ARG 13 HH22 ARG 13 0.959 3.010 12.140 101 H GLN 14 HN GLN 14 1.531 -3.652 7.315 102 HA GLN 14 HA GLN 14 0.541 -5.690 7.741 103 1HB GLN 14 HB2 GLN 14 1.529 -5.394 10.109 104 2HB GLN 14 HB1 GLN 14 -0.072 -4.824 10.560 105 1HG GLN 14 HG2 GLN 14 -0.458 -6.973 11.025 106 2HG GLN 14 HG1 GLN 14 -0.691 -7.127 9.285 107 1HE2 GLN 14 HE21 GLN 14 -0.117 -9.381 9.786 108 2HE2 GLN 14 HE22 GLN 14 1.555 -9.816 9.802 109 H THR 15 HN THR 15 -1.304 -5.807 6.669 110 HA THR 15 HA THR 15 -3.481 -5.510 6.069 111 HB THR 15 HB THR 15 -4.058 -4.356 8.786 112 HG1 THR 15 HG1 THR 15 -3.268 -6.101 9.615 113 1HG2 THR 15 HG21 THR 15 -6.029 -6.025 8.448 114 2HG2 THR 15 HG22 THR 15 -5.599 -5.873 6.744 115 3HG2 THR 15 HG23 THR 15 -6.052 -4.442 7.670 116 H SER 16 HN SER 16 -1.361 -3.297 6.161 117 HA SER 16 HA SER 16 -3.213 -1.105 5.573 118 1HB SER 16 HB2 SER 16 -1.004 -1.153 7.503 119 2HB SER 16 HB1 SER 16 -0.965 0.229 6.406 120 HG SER 16 HG SER 16 -2.816 0.950 7.215 121 H VAL 17 HN VAL 17 0.267 -0.595 5.327 122 HA VAL 17 HA VAL 17 0.129 0.207 2.749 123 HB VAL 17 HB VAL 17 1.958 0.873 3.988 124 1HG1 VAL 17 HG11 VAL 17 3.410 -0.491 5.134 125 2HG1 VAL 17 HG12 VAL 17 3.312 -1.785 3.939 126 3HG1 VAL 17 HG13 VAL 17 2.012 -1.568 5.108 127 1HG2 VAL 17 HG21 VAL 17 3.557 0.804 2.343 128 2HG2 VAL 17 HG22 VAL 17 2.154 0.249 1.430 129 3HG2 VAL 17 HG23 VAL 17 3.335 -0.916 2.026 130 H GLU 18 HN GLU 18 0.964 -3.204 3.675 131 HA GLU 18 HA GLU 18 1.463 -4.121 1.105 132 1HB GLU 18 HB2 GLU 18 1.400 -5.506 3.252 133 2HB GLU 18 HB1 GLU 18 -0.342 -5.568 3.057 134 1HG GLU 18 HG2 GLU 18 -0.172 -6.802 1.047 135 2HG GLU 18 HG1 GLU 18 1.567 -6.524 0.945 136 H ARG 19 HN ARG 19 -1.635 -3.721 2.742 137 HA ARG 19 HA ARG 19 -3.320 -4.393 0.634 138 1HB ARG 19 HB2 ARG 19 -3.699 -2.581 2.995 139 2HB ARG 19 HB1 ARG 19 -4.975 -2.834 1.817 140 1HG ARG 19 HG2 ARG 19 -3.824 -5.322 2.795 141 2HG ARG 19 HG1 ARG 19 -4.531 -4.332 4.072 142 1HD ARG 19 HD2 ARG 19 -6.381 -4.202 2.010 143 2HD ARG 19 HD1 ARG 19 -5.825 -5.874 1.983 144 HE ARG 19 HE ARG 19 -7.459 -4.634 3.976 145 1HH1 ARG 19 HH11 ARG 19 -5.111 -7.155 3.417 146 2HH1 ARG 19 HH12 ARG 19 -5.647 -8.121 4.750 147 1HH2 ARG 19 HH21 ARG 19 -8.165 -5.904 5.728 148 2HH2 ARG 19 HH22 ARG 19 -7.382 -7.412 6.062 149 H LEU 20 HN LEU 20 -1.930 -1.379 1.583 150 HA LEU 20 HA LEU 20 -3.147 0.363 -0.202 151 1HB LEU 20 HB2 LEU 20 -0.260 0.550 0.612 152 2HB LEU 20 HB1 LEU 20 -1.310 1.859 0.108 153 HG LEU 20 HG LEU 20 -1.596 0.256 2.617 154 1HD1 LEU 20 HD11 LEU 20 -0.860 2.244 3.768 155 2HD1 LEU 20 HD12 LEU 20 -0.728 3.097 2.235 156 3HD1 LEU 20 HD13 LEU 20 0.355 1.766 2.584 157 1HD2 LEU 20 HD21 LEU 20 -3.059 2.783 1.988 158 2HD2 LEU 20 HD22 LEU 20 -3.437 1.546 3.187 159 3HD2 LEU 20 HD23 LEU 20 -3.688 1.220 1.475 160 H VAL 21 HN VAL 21 -0.088 -1.363 -0.655 161 HA VAL 21 HA VAL 21 0.547 -0.411 -3.110 162 HB VAL 21 HB VAL 21 1.939 -1.908 -1.681 163 1HG1 VAL 21 HG11 VAL 21 1.688 -4.381 -2.616 164 2HG1 VAL 21 HG12 VAL 21 -0.002 -3.909 -2.580 165 3HG1 VAL 21 HG13 VAL 21 0.969 -3.826 -1.117 166 1HG2 VAL 21 HG21 VAL 21 3.037 -1.466 -3.586 167 2HG2 VAL 21 HG22 VAL 21 1.698 -1.989 -4.606 168 3HG2 VAL 21 HG23 VAL 21 2.762 -3.182 -3.863 169 H GLN 22 HN GLN 22 -1.613 -3.190 -2.432 170 HA GLN 22 HA GLN 22 -2.027 -3.773 -5.157 171 1HB GLN 22 HB2 GLN 22 -2.652 -5.215 -3.161 172 2HB GLN 22 HB1 GLN 22 -4.085 -4.208 -3.012 173 1HG GLN 22 HG2 GLN 22 -4.044 -4.965 -5.682 174 2HG GLN 22 HG1 GLN 22 -3.551 -6.410 -4.799 175 1HE2 GLN 22 HE21 GLN 22 -5.516 -7.387 -5.451 176 2HE2 GLN 22 HE22 GLN 22 -7.000 -7.017 -4.646 177 H GLN 23 HN GLN 23 -4.495 -2.257 -3.091 178 HA GLN 23 HA GLN 23 -6.142 -1.422 -5.126 179 1HB GLN 23 HB2 GLN 23 -5.614 0.210 -2.644 180 2HB GLN 23 HB1 GLN 23 -7.094 0.150 -3.587 181 1HG GLN 23 HG2 GLN 23 -6.718 -2.473 -2.871 182 2HG GLN 23 HG1 GLN 23 -6.164 -1.587 -1.451 183 1HE2 GLN 23 HE21 GLN 23 -7.759 -1.745 -0.031 184 2HE2 GLN 23 HE22 GLN 23 -9.413 -1.349 -0.327 185 H PHE 24 HN PHE 24 -3.580 0.500 -3.583 186 HA PHE 24 HA PHE 24 -3.780 2.733 -5.133 187 1HB PHE 24 HB2 PHE 24 -1.664 1.644 -3.432 188 2HB PHE 24 HB1 PHE 24 -1.154 2.828 -4.629 189 HD1 PHE 24 HD1 PHE 24 -2.279 2.547 -1.392 190 HD2 PHE 24 HD2 PHE 24 -2.970 4.768 -4.940 191 HE1 PHE 24 HE1 PHE 24 -3.400 4.296 -0.085 192 HE2 PHE 24 HE2 PHE 24 -4.088 6.522 -3.646 193 HZ PHE 24 HZ PHE 24 -4.334 6.260 -1.227 194 H ALA 25 HN ALA 25 -1.902 -0.144 -5.961 195 HA ALA 25 HA ALA 25 -0.539 0.742 -8.173 196 1HB ALA 25 HB1 ALA 25 -1.079 -1.732 -7.131 197 2HB ALA 25 HB2 ALA 25 -0.254 -1.453 -8.664 198 3HB ALA 25 HB3 ALA 25 -1.987 -1.782 -8.643 199 H ASP 26 HN ASP 26 -3.900 -0.291 -7.831 200 HA ASP 26 HA ASP 26 -4.726 0.377 -10.472 201 1HB ASP 26 HB2 ASP 26 -5.956 -0.582 -8.047 202 2HB ASP 26 HB1 ASP 26 -6.922 0.729 -8.720 203 H ALA 27 HN ALA 27 -4.871 2.107 -7.359 204 HA ALA 27 HA ALA 27 -6.111 4.457 -8.041 205 1HB ALA 27 HB1 ALA 27 -5.718 4.702 -5.901 206 2HB ALA 27 HB2 ALA 27 -4.137 5.331 -6.362 207 3HB ALA 27 HB3 ALA 27 -4.325 3.633 -5.956 208 H GLY 28 HN GLY 28 -2.612 4.374 -7.620 209 1HA GLY 28 HA2 GLY 28 -1.697 5.173 -10.117 210 2HA GLY 28 HA1 GLY 28 -2.082 6.651 -9.237 211 H ILE 29 HN ILE 29 -0.861 3.588 -8.091 212 HA ILE 29 HA ILE 29 1.707 4.745 -7.320 213 HB ILE 29 HB ILE 29 0.356 2.971 -5.342 214 1HG1 ILE 29 HG12 ILE 29 -1.291 4.762 -5.867 215 2HG1 ILE 29 HG11 ILE 29 -0.676 4.862 -4.219 216 1HG2 ILE 29 HG21 ILE 29 2.693 4.682 -5.490 217 2HG2 ILE 29 HG22 ILE 29 2.321 3.369 -4.373 218 3HG2 ILE 29 HG23 ILE 29 1.722 4.995 -4.051 219 1HD1 ILE 29 HD11 ILE 29 -0.804 6.913 -6.049 220 2HD1 ILE 29 HD12 ILE 29 0.895 6.440 -6.069 221 3HD1 ILE 29 HD13 ILE 29 0.126 6.902 -4.550 222 H ARG 30 HN ARG 30 2.943 2.679 -6.140 223 HA ARG 30 HA ARG 30 3.327 0.916 -8.354 224 1HB ARG 30 HB2 ARG 30 4.516 0.787 -5.579 225 2HB ARG 30 HB1 ARG 30 5.107 -0.061 -7.001 226 1HG ARG 30 HG2 ARG 30 6.372 1.672 -7.533 227 2HG ARG 30 HG1 ARG 30 4.947 2.708 -7.620 228 1HD ARG 30 HD2 ARG 30 5.138 2.820 -5.055 229 2HD ARG 30 HD1 ARG 30 6.775 2.208 -5.295 230 HE ARG 30 HE ARG 30 5.848 4.860 -5.784 231 1HH1 ARG 30 HH11 ARG 30 8.138 2.453 -6.852 232 2HH1 ARG 30 HH12 ARG 30 9.253 3.616 -7.488 233 1HH2 ARG 30 HH21 ARG 30 7.312 6.390 -6.617 234 2HH2 ARG 30 HH22 ARG 30 8.784 5.852 -7.354 235 H LYS 31 HN LYS 31 3.228 -1.355 -8.307 236 HA LYS 31 HA LYS 31 0.815 -2.345 -7.089 237 1HB LYS 31 HB2 LYS 31 1.960 -2.726 -9.511 238 2HB LYS 31 HB1 LYS 31 2.443 -4.202 -8.687 239 1HG LYS 31 HG2 LYS 31 0.420 -5.071 -8.923 240 2HG LYS 31 HG1 LYS 31 -0.336 -3.650 -8.200 241 1HD LYS 31 HD2 LYS 31 -1.266 -3.654 -10.314 242 2HD LYS 31 HD1 LYS 31 0.110 -2.571 -10.531 243 1HE LYS 31 HE2 LYS 31 0.387 -3.931 -12.347 244 2HE LYS 31 HE1 LYS 31 1.343 -4.812 -11.158 245 1HZ LYS 31 HZ1 LYS 31 -0.529 -5.954 -12.633 246 2HZ LYS 31 HZ2 LYS 31 -1.483 -5.493 -11.315 247 3HZ LYS 31 HZ3 LYS 31 -0.140 -6.493 -11.077 248 H SER 32 HN SER 32 0.649 -4.538 -6.295 249 HA SER 32 HA SER 32 2.516 -4.958 -4.127 250 1HB SER 32 HB2 SER 32 0.795 -6.060 -3.058 251 2HB SER 32 HB1 SER 32 -0.113 -4.975 -4.110 252 HG SER 32 HG SER 32 -0.701 -6.624 -5.341 253 H ALA 33 HN ALA 33 2.718 -7.260 -3.381 254 HA ALA 33 HA ALA 33 3.261 -9.467 -3.679 255 1HB ALA 33 HB1 ALA 33 3.213 -10.562 -5.734 256 2HB ALA 33 HB2 ALA 33 3.572 -9.089 -6.636 257 3HB ALA 33 HB3 ALA 33 1.982 -9.310 -5.906 258 H ASP 34 HN ASP 34 5.038 -7.577 -2.833 259 HA ASP 34 HA ASP 34 7.288 -7.184 -2.635 260 1HB ASP 34 HB2 ASP 34 7.172 -9.794 -2.727 261 2HB ASP 34 HB1 ASP 34 7.871 -9.592 -4.331 262 H ASP 35 HN ASP 35 7.917 -5.432 -3.680 263 HA ASP 35 HA ASP 35 9.439 -5.284 -5.913 264 1HB ASP 35 HB2 ASP 35 7.664 -6.238 -7.289 265 2HB ASP 35 HB1 ASP 35 6.532 -5.009 -6.738 266 H SER 36 HN SER 36 6.772 -3.088 -6.390 267 HA SER 36 HA SER 36 8.176 -1.152 -4.665 268 1HB SER 36 HB2 SER 36 6.916 -0.676 -7.374 269 2HB SER 36 HB1 SER 36 7.443 0.618 -6.298 270 HG SER 36 HG SER 36 8.938 -1.154 -7.817 271 H VAL 37 HN VAL 37 7.021 0.058 -3.304 272 HA VAL 37 HA VAL 37 4.093 0.155 -3.450 273 HB VAL 37 HB VAL 37 4.728 -1.722 -1.939 274 1HG1 VAL 37 HG11 VAL 37 5.755 -1.238 0.216 275 2HG1 VAL 37 HG12 VAL 37 5.944 0.449 -0.257 276 3HG1 VAL 37 HG13 VAL 37 6.830 -0.809 -1.111 277 1HG2 VAL 37 HG21 VAL 37 3.128 -1.282 -0.331 278 2HG2 VAL 37 HG22 VAL 37 2.681 -0.176 -1.630 279 3HG2 VAL 37 HG23 VAL 37 3.565 0.421 -0.225 280 H SER 38 HN SER 38 3.220 1.626 -1.680 281 HA SER 38 HA SER 38 5.059 3.838 -1.117 282 1HB SER 38 HB2 SER 38 3.467 4.506 -2.880 283 2HB SER 38 HB1 SER 38 2.122 4.052 -1.836 284 HG SER 38 HG SER 38 2.958 5.648 -0.334 285 H ALA 39 HN ALA 39 5.254 4.140 1.047 286 HA ALA 39 HA ALA 39 3.561 2.713 2.870 287 1HB ALA 39 HB1 ALA 39 6.154 4.085 2.993 288 2HB ALA 39 HB2 ALA 39 5.614 2.602 3.777 289 3HB ALA 39 HB3 ALA 39 5.192 4.168 4.469 290 H GLN 40 HN GLN 40 2.350 3.608 4.550 291 HA GLN 40 HA GLN 40 0.862 5.041 5.484 292 1HB GLN 40 HB2 GLN 40 3.018 6.911 4.576 293 2HB GLN 40 HB1 GLN 40 1.499 7.581 5.159 294 1HG GLN 40 HG2 GLN 40 1.784 6.570 7.295 295 2HG GLN 40 HG1 GLN 40 3.170 5.638 6.730 296 1HE2 GLN 40 HE21 GLN 40 4.980 6.382 7.545 297 2HE2 GLN 40 HE22 GLN 40 5.384 8.043 7.797 298 H GLU 41 HN GLU 41 0.922 4.319 2.491 299 HA GLU 41 HA GLU 41 -0.495 6.386 1.187 300 1HB GLU 41 HB2 GLU 41 0.353 3.695 0.590 301 2HB GLU 41 HB1 GLU 41 -1.322 3.908 0.111 302 1HG GLU 41 HG2 GLU 41 0.998 5.622 -0.747 303 2HG GLU 41 HG1 GLU 41 0.194 4.394 -1.722 304 H LYS 42 HN LYS 42 -1.221 4.120 3.636 305 HA LYS 42 HA LYS 42 -3.370 3.162 4.187 306 1HB LYS 42 HB2 LYS 42 -2.530 5.722 5.300 307 2HB LYS 42 HB1 LYS 42 -4.245 5.404 5.526 308 1HG LYS 42 HG2 LYS 42 -2.683 3.063 6.140 309 2HG LYS 42 HG1 LYS 42 -2.127 4.457 7.068 310 1HD LYS 42 HD2 LYS 42 -4.866 4.656 7.242 311 2HD LYS 42 HD1 LYS 42 -4.595 2.914 7.294 312 1HE LYS 42 HE2 LYS 42 -3.724 3.006 9.352 313 2HE LYS 42 HE1 LYS 42 -2.730 4.408 8.959 314 1HZ LYS 42 HZ1 LYS 42 -5.636 4.659 9.437 315 2HZ LYS 42 HZ2 LYS 42 -4.454 5.866 9.487 316 3HZ LYS 42 HZ3 LYS 42 -4.524 4.701 10.711 317 H GLN 43 HN GLN 43 -3.860 6.473 2.976 318 HA GLN 43 HA GLN 43 -6.513 6.715 2.773 319 1HB GLN 43 HB2 GLN 43 -4.265 7.638 1.108 320 2HB GLN 43 HB1 GLN 43 -5.845 7.713 0.337 321 1HG GLN 43 HG2 GLN 43 -5.715 9.782 1.303 322 2HG GLN 43 HG1 GLN 43 -6.564 8.873 2.553 323 1HE2 GLN 43 HE21 GLN 43 -5.374 8.161 4.388 324 2HE2 GLN 43 HE22 GLN 43 -3.944 8.994 4.885 325 H THR 44 HN THR 44 -4.678 4.349 0.955 326 HA THR 44 HA THR 44 -6.257 3.909 -1.238 327 HB THR 44 HB THR 44 -4.233 2.489 0.062 328 HG1 THR 44 HG1 THR 44 -4.155 1.397 -1.898 329 1HG2 THR 44 HG21 THR 44 -4.952 0.147 -0.112 330 2HG2 THR 44 HG22 THR 44 -6.612 0.686 -0.346 331 3HG2 THR 44 HG23 THR 44 -5.786 1.011 1.178 332 H LEU 45 HN LEU 45 -6.793 2.549 2.011 333 HA LEU 45 HA LEU 45 -9.040 1.036 1.478 334 1HB LEU 45 HB2 LEU 45 -8.310 2.589 3.954 335 2HB LEU 45 HB1 LEU 45 -9.645 1.454 3.884 336 HG LEU 45 HG LEU 45 -6.717 0.813 3.527 337 1HD1 LEU 45 HD11 LEU 45 -8.537 -0.337 5.598 338 2HD1 LEU 45 HD12 LEU 45 -7.795 1.243 5.849 339 3HD1 LEU 45 HD13 LEU 45 -6.781 -0.179 5.610 340 1HD2 LEU 45 HD21 LEU 45 -9.173 -0.704 2.877 341 2HD2 LEU 45 HD22 LEU 45 -7.879 -1.585 3.690 342 3HD2 LEU 45 HD23 LEU 45 -7.566 -0.778 2.153 343 H ILE 46 HN ILE 46 -9.026 4.399 2.683 344 HA ILE 46 HA ILE 46 -11.832 4.700 2.414 345 HB ILE 46 HB ILE 46 -10.257 6.010 3.933 346 1HG1 ILE 46 HG12 ILE 46 -11.712 8.176 3.461 347 2HG1 ILE 46 HG11 ILE 46 -12.575 7.074 2.391 348 1HG2 ILE 46 HG21 ILE 46 -8.693 6.747 2.191 349 2HG2 ILE 46 HG22 ILE 46 -9.365 8.093 3.110 350 3HG2 ILE 46 HG23 ILE 46 -9.969 7.744 1.492 351 1HD1 ILE 46 HD11 ILE 46 -12.379 7.086 5.350 352 2HD1 ILE 46 HD12 ILE 46 -12.571 5.539 4.525 353 3HD1 ILE 46 HD13 ILE 46 -13.773 6.811 4.306 354 H ASP 47 HN ASP 47 -9.139 5.950 0.446 355 HA ASP 47 HA ASP 47 -10.654 7.378 -1.398 356 1HB ASP 47 HB2 ASP 47 -8.018 7.023 -1.039 357 2HB ASP 47 HB1 ASP 47 -8.255 5.977 -2.436 358 H HIS 48 HN HIS 48 -9.128 4.257 -2.173 359 HA HIS 48 HA HIS 48 -10.497 3.707 -4.487 360 1HB HIS 48 HB2 HIS 48 -9.442 1.800 -2.398 361 2HB HIS 48 HB1 HIS 48 -10.025 1.285 -3.975 362 HD1 HIS 48 HD1 HIS 48 -7.343 3.533 -2.504 363 HD2 HIS 48 HD2 HIS 48 -8.114 1.290 -5.912 364 HE1 HIS 48 HE1 HIS 48 -5.214 3.602 -3.859 365 HE2 HIS 48 HE2 HIS 48 -5.748 2.298 -5.938 366 H LEU 49 HN LEU 49 -11.398 2.629 -1.207 367 HA LEU 49 HA LEU 49 -13.671 1.192 -1.875 368 1HB LEU 49 HB2 LEU 49 -12.631 1.258 0.367 369 2HB LEU 49 HB1 LEU 49 -13.275 2.872 0.600 370 HG LEU 49 HG LEU 49 -15.305 0.871 -0.106 371 1HD1 LEU 49 HD11 LEU 49 -13.481 0.460 2.196 372 2HD1 LEU 49 HD12 LEU 49 -14.356 -0.716 1.216 373 3HD1 LEU 49 HD13 LEU 49 -15.205 0.203 2.458 374 1HD2 LEU 49 HD21 LEU 49 -15.389 3.357 0.844 375 2HD2 LEU 49 HD22 LEU 49 -15.371 2.486 2.377 376 3HD2 LEU 49 HD23 LEU 49 -16.641 2.165 1.196 377 H ASN 50 HN ASN 50 -13.833 4.459 -0.455 378 HA ASN 50 HA ASN 50 -16.488 4.916 -1.244 379 1HB ASN 50 HB2 ASN 50 -14.905 6.157 0.479 380 2HB ASN 50 HB1 ASN 50 -14.619 7.219 -0.896 381 1HD2 ASN 50 HD21 ASN 50 -16.551 6.638 1.733 382 2HD2 ASN 50 HD22 ASN 50 -17.905 7.620 1.301 Start of MODEL 5 1 1H THR 2 HT1 THR 2 4.599 8.022 1.271 2 2H THR 2 HT2 THR 2 5.266 9.237 0.256 3 3H THR 2 HT3 THR 2 5.158 9.493 1.950 4 HA THR 2 HA THR 2 7.385 8.931 1.082 5 HB THR 2 HB THR 2 6.507 6.830 3.010 6 HG1 THR 2 HG1 THR 2 6.362 9.609 3.553 7 1HG2 THR 2 HG21 THR 2 8.790 7.017 3.079 8 2HG2 THR 2 HG22 THR 2 8.307 8.120 4.367 9 3HG2 THR 2 HG23 THR 2 8.765 8.756 2.787 10 H ASP 3 HN ASP 3 8.592 7.612 -0.140 11 HA ASP 3 HA ASP 3 7.287 5.299 -1.353 12 1HB ASP 3 HB2 ASP 3 9.550 7.083 -2.095 13 2HB ASP 3 HB1 ASP 3 9.604 5.423 -2.678 14 H VAL 4 HN VAL 4 7.717 3.281 -0.751 15 HA VAL 4 HA VAL 4 10.334 2.624 0.371 16 HB VAL 4 HB VAL 4 7.962 1.461 1.763 17 1HG1 VAL 4 HG11 VAL 4 9.801 0.477 2.639 18 2HG1 VAL 4 HG12 VAL 4 9.801 1.918 3.657 19 3HG1 VAL 4 HG13 VAL 4 10.853 1.836 2.244 20 1HG2 VAL 4 HG21 VAL 4 9.120 4.148 2.501 21 2HG2 VAL 4 HG22 VAL 4 7.863 3.267 3.369 22 3HG2 VAL 4 HG23 VAL 4 7.542 3.898 1.754 23 H THR 5 HN THR 5 10.341 0.083 0.747 24 HA THR 5 HA THR 5 9.385 -1.010 -1.774 25 HB THR 5 HB THR 5 11.002 -2.628 -1.605 26 HG1 THR 5 HG1 THR 5 10.430 -3.682 0.223 27 1HG2 THR 5 HG21 THR 5 12.178 -0.477 -1.471 28 2HG2 THR 5 HG22 THR 5 13.053 -1.784 -0.673 29 3HG2 THR 5 HG23 THR 5 12.166 -0.601 0.288 30 H ILE 6 HN ILE 6 7.674 -2.150 -1.980 31 HA ILE 6 HA ILE 6 5.912 -2.704 0.154 32 HB ILE 6 HB ILE 6 5.243 -2.309 -2.202 33 1HG1 ILE 6 HG12 ILE 6 3.362 -3.896 -2.162 34 2HG1 ILE 6 HG11 ILE 6 4.193 -4.838 -0.933 35 1HG2 ILE 6 HG21 ILE 6 6.811 -3.674 -3.375 36 2HG2 ILE 6 HG22 ILE 6 5.183 -4.254 -3.723 37 3HG2 ILE 6 HG23 ILE 6 6.202 -5.123 -2.578 38 1HD1 ILE 6 HD11 ILE 6 4.014 -3.025 0.637 39 2HD1 ILE 6 HD12 ILE 6 2.422 -3.385 -0.030 40 3HD1 ILE 6 HD13 ILE 6 3.319 -1.979 -0.601 41 H LYS 7 HN LYS 7 5.071 -4.657 0.799 42 HA LYS 7 HA LYS 7 5.009 -6.944 1.220 43 1HB LYS 7 HB2 LYS 7 6.504 -7.455 -0.692 44 2HB LYS 7 HB1 LYS 7 7.892 -7.083 0.320 45 1HG LYS 7 HG2 LYS 7 7.895 -9.285 0.716 46 2HG LYS 7 HG1 LYS 7 6.608 -8.899 1.860 47 1HD LYS 7 HD2 LYS 7 5.936 -9.451 -1.000 48 2HD LYS 7 HD1 LYS 7 6.265 -10.793 0.098 49 1HE LYS 7 HE2 LYS 7 4.548 -9.771 1.649 50 2HE LYS 7 HE1 LYS 7 4.116 -8.698 0.319 51 1HZ LYS 7 HZ1 LYS 7 4.067 -11.659 0.135 52 2HZ LYS 7 HZ2 LYS 7 3.478 -10.557 -1.004 53 3HZ LYS 7 HZ3 LYS 7 2.711 -10.713 0.495 54 H THR 8 HN THR 8 8.442 -6.160 1.910 55 HA THR 8 HA THR 8 8.332 -6.955 4.591 56 HB THR 8 HB THR 8 10.344 -5.605 4.934 57 HG1 THR 8 HG1 THR 8 9.890 -3.713 3.924 58 1HG2 THR 8 HG21 THR 8 10.642 -7.657 3.617 59 2HG2 THR 8 HG22 THR 8 11.796 -6.394 3.187 60 3HG2 THR 8 HG23 THR 8 10.412 -6.719 2.141 61 H LEU 9 HN LEU 9 7.779 -3.907 2.989 62 HA LEU 9 HA LEU 9 6.942 -2.449 5.298 63 1HB LEU 9 HB2 LEU 9 7.727 -1.708 2.815 64 2HB LEU 9 HB1 LEU 9 5.987 -1.607 2.626 65 HG LEU 9 HG LEU 9 6.986 0.553 3.237 66 1HD1 LEU 9 HD11 LEU 9 4.705 0.179 3.877 67 2HD1 LEU 9 HD12 LEU 9 5.524 1.040 5.180 68 3HD1 LEU 9 HD13 LEU 9 5.209 -0.690 5.327 69 1HD2 LEU 9 HD21 LEU 9 8.140 0.938 5.228 70 2HD2 LEU 9 HD22 LEU 9 8.813 -0.579 4.633 71 3HD2 LEU 9 HD23 LEU 9 7.622 -0.593 5.934 72 H ALA 10 HN ALA 10 5.365 -4.120 2.593 73 HA ALA 10 HA ALA 10 2.726 -3.592 3.002 74 1HB ALA 10 HB1 ALA 10 3.490 -5.027 1.200 75 2HB ALA 10 HB2 ALA 10 2.215 -5.815 2.118 76 3HB ALA 10 HB3 ALA 10 3.891 -6.287 2.363 77 H ALA 11 HN ALA 11 4.649 -6.107 4.580 78 HA ALA 11 HA ALA 11 2.634 -7.019 6.340 79 1HB ALA 11 HB1 ALA 11 4.892 -7.703 7.636 80 2HB ALA 11 HB2 ALA 11 5.543 -7.420 6.022 81 3HB ALA 11 HB3 ALA 11 4.252 -8.599 6.257 82 H GLU 12 HN GLU 12 5.373 -4.788 6.749 83 HA GLU 12 HA GLU 12 5.431 -4.119 9.306 84 1HB GLU 12 HB2 GLU 12 5.443 -2.283 6.936 85 2HB GLU 12 HB1 GLU 12 5.608 -1.644 8.562 86 1HG GLU 12 HG2 GLU 12 7.377 -3.881 7.734 87 2HG GLU 12 HG1 GLU 12 7.704 -2.265 7.111 88 H ARG 13 HN ARG 13 2.960 -2.551 7.154 89 HA ARG 13 HA ARG 13 1.628 -1.449 9.405 90 1HB ARG 13 HB2 ARG 13 1.078 -1.653 6.512 91 2HB ARG 13 HB1 ARG 13 -0.302 -1.390 7.563 92 1HG ARG 13 HG2 ARG 13 0.794 0.678 6.592 93 2HG ARG 13 HG1 ARG 13 0.530 0.668 8.335 94 1HD ARG 13 HD2 ARG 13 3.121 -0.408 7.462 95 2HD ARG 13 HD1 ARG 13 2.877 1.303 7.123 96 HE ARG 13 HE ARG 13 3.238 0.077 9.698 97 1HH1 ARG 13 HH11 ARG 13 1.948 2.838 7.997 98 2HH1 ARG 13 HH12 ARG 13 2.038 3.886 9.373 99 1HH2 ARG 13 HH21 ARG 13 3.359 1.455 11.509 100 2HH2 ARG 13 HH22 ARG 13 2.838 3.101 11.367 101 H GLN 14 HN GLN 14 0.998 -4.157 7.353 102 HA GLN 14 HA GLN 14 0.128 -6.237 7.858 103 1HB GLN 14 HB2 GLN 14 0.708 -5.612 10.306 104 2HB GLN 14 HB1 GLN 14 -0.999 -5.210 10.446 105 1HG GLN 14 HG2 GLN 14 -1.152 -7.354 11.101 106 2HG GLN 14 HG1 GLN 14 -1.214 -7.647 9.364 107 1HE2 GLN 14 HE21 GLN 14 0.773 -7.760 12.224 108 2HE2 GLN 14 HE22 GLN 14 1.997 -8.793 11.576 109 H THR 15 HN THR 15 -1.673 -3.296 8.411 110 HA THR 15 HA THR 15 -3.934 -4.482 6.988 111 HB THR 15 HB THR 15 -5.481 -3.246 8.560 112 HG1 THR 15 HG1 THR 15 -3.108 -3.090 10.101 113 1HG2 THR 15 HG21 THR 15 -3.821 -5.505 9.632 114 2HG2 THR 15 HG22 THR 15 -5.404 -5.585 8.854 115 3HG2 THR 15 HG23 THR 15 -5.243 -4.867 10.458 116 H SER 16 HN SER 16 -1.665 -2.421 6.587 117 HA SER 16 HA SER 16 -3.429 -0.354 5.482 118 1HB SER 16 HB2 SER 16 -1.370 0.006 7.471 119 2HB SER 16 HB1 SER 16 -1.000 0.940 6.021 120 HG SER 16 HG SER 16 -3.012 1.262 7.868 121 H VAL 17 HN VAL 17 0.130 -0.412 5.246 122 HA VAL 17 HA VAL 17 0.071 0.080 2.582 123 HB VAL 17 HB VAL 17 2.034 0.631 3.608 124 1HG1 VAL 17 HG11 VAL 17 1.924 -2.104 4.757 125 2HG1 VAL 17 HG12 VAL 17 2.315 -0.562 5.519 126 3HG1 VAL 17 HG13 VAL 17 3.507 -1.372 4.510 127 1HG2 VAL 17 HG21 VAL 17 2.118 -0.853 1.332 128 2HG2 VAL 17 HG22 VAL 17 3.271 -1.717 2.347 129 3HG2 VAL 17 HG23 VAL 17 3.496 0.002 2.022 130 H GLU 18 HN GLU 18 0.539 -3.287 3.936 131 HA GLU 18 HA GLU 18 0.871 -4.537 1.475 132 1HB GLU 18 HB2 GLU 18 0.901 -5.809 3.567 133 2HB GLU 18 HB1 GLU 18 -0.809 -5.489 3.813 134 1HG GLU 18 HG2 GLU 18 -0.612 -6.670 1.285 135 2HG GLU 18 HG1 GLU 18 0.464 -7.591 2.335 136 H ARG 19 HN ARG 19 -2.154 -3.835 3.136 137 HA ARG 19 HA ARG 19 -3.957 -4.515 1.172 138 1HB ARG 19 HB2 ARG 19 -4.249 -3.633 3.646 139 2HB ARG 19 HB1 ARG 19 -4.459 -2.095 2.827 140 1HG ARG 19 HG2 ARG 19 -6.617 -2.683 2.759 141 2HG ARG 19 HG1 ARG 19 -6.126 -3.685 1.392 142 1HD ARG 19 HD2 ARG 19 -7.422 -5.026 2.906 143 2HD ARG 19 HD1 ARG 19 -5.744 -5.561 2.969 144 HE ARG 19 HE ARG 19 -5.886 -3.790 4.999 145 1HH1 ARG 19 HH11 ARG 19 -7.838 -6.548 4.122 146 2HH1 ARG 19 HH12 ARG 19 -8.277 -6.913 5.756 147 1HH2 ARG 19 HH21 ARG 19 -6.463 -4.271 7.149 148 2HH2 ARG 19 HH22 ARG 19 -7.498 -5.622 7.475 149 H LEU 20 HN LEU 20 -2.268 -1.544 1.750 150 HA LEU 20 HA LEU 20 -3.411 0.001 -0.228 151 1HB LEU 20 HB2 LEU 20 -1.902 1.602 0.262 152 2HB LEU 20 HB1 LEU 20 -1.726 0.603 1.681 153 HG LEU 20 HG LEU 20 0.365 -0.345 0.751 154 1HD1 LEU 20 HD11 LEU 20 -0.560 1.032 -1.645 155 2HD1 LEU 20 HD12 LEU 20 0.678 -0.211 -1.470 156 3HD1 LEU 20 HD13 LEU 20 1.086 1.480 -1.214 157 1HD2 LEU 20 HD21 LEU 20 0.697 2.589 0.571 158 2HD2 LEU 20 HD22 LEU 20 1.618 1.396 1.477 159 3HD2 LEU 20 HD23 LEU 20 0.039 1.921 2.059 160 H VAL 21 HN VAL 21 -0.504 -2.087 -0.575 161 HA VAL 21 HA VAL 21 0.087 -1.401 -3.156 162 HB VAL 21 HB VAL 21 1.545 -2.911 -1.927 163 1HG1 VAL 21 HG11 VAL 21 0.548 -4.552 -0.778 164 2HG1 VAL 21 HG12 VAL 21 0.678 -5.455 -2.284 165 3HG1 VAL 21 HG13 VAL 21 -0.823 -4.634 -1.879 166 1HG2 VAL 21 HG21 VAL 21 1.209 -2.848 -4.550 167 2HG2 VAL 21 HG22 VAL 21 0.784 -4.539 -4.284 168 3HG2 VAL 21 HG23 VAL 21 2.360 -3.936 -3.780 169 H GLN 22 HN GLN 22 -2.329 -3.848 -2.126 170 HA GLN 22 HA GLN 22 -2.951 -4.534 -4.802 171 1HB GLN 22 HB2 GLN 22 -5.229 -5.262 -3.750 172 2HB GLN 22 HB1 GLN 22 -3.755 -6.145 -3.395 173 1HG GLN 22 HG2 GLN 22 -3.564 -4.738 -1.308 174 2HG GLN 22 HG1 GLN 22 -5.199 -4.179 -1.648 175 1HE2 GLN 22 HE21 GLN 22 -6.630 -6.217 -2.320 176 2HE2 GLN 22 HE22 GLN 22 -6.597 -7.485 -1.147 177 H GLN 23 HN GLN 23 -5.176 -2.678 -2.722 178 HA GLN 23 HA GLN 23 -6.859 -1.850 -4.740 179 1HB GLN 23 HB2 GLN 23 -6.091 -0.721 -2.095 180 2HB GLN 23 HB1 GLN 23 -7.016 0.306 -3.175 181 1HG GLN 23 HG2 GLN 23 -7.808 -2.365 -2.051 182 2HG GLN 23 HG1 GLN 23 -8.543 -0.795 -1.731 183 1HE2 GLN 23 HE21 GLN 23 -9.915 -3.107 -2.616 184 2HE2 GLN 23 HE22 GLN 23 -10.573 -2.765 -4.177 185 H PHE 24 HN PHE 24 -3.993 -0.237 -3.552 186 HA PHE 24 HA PHE 24 -4.004 2.003 -5.110 187 1HB PHE 24 HB2 PHE 24 -1.803 0.548 -3.726 188 2HB PHE 24 HB1 PHE 24 -1.484 1.993 -4.685 189 HD1 PHE 24 HD1 PHE 24 -1.608 4.032 -3.593 190 HD2 PHE 24 HD2 PHE 24 -3.985 0.788 -2.225 191 HE1 PHE 24 HE1 PHE 24 -2.609 5.473 -1.889 192 HE2 PHE 24 HE2 PHE 24 -4.962 2.213 -0.515 193 HZ PHE 24 HZ PHE 24 -4.329 4.570 -0.363 194 H ALA 25 HN ALA 25 -2.606 -1.139 -5.938 195 HA ALA 25 HA ALA 25 -1.315 -0.475 -8.279 196 1HB ALA 25 HB1 ALA 25 -1.851 -2.709 -9.094 197 2HB ALA 25 HB2 ALA 25 -3.179 -2.847 -7.941 198 3HB ALA 25 HB3 ALA 25 -1.513 -2.807 -7.365 199 H ASP 26 HN ASP 26 -4.725 -1.047 -7.582 200 HA ASP 26 HA ASP 26 -5.732 -0.321 -10.145 201 1HB ASP 26 HB2 ASP 26 -6.897 -1.407 -7.993 202 2HB ASP 26 HB1 ASP 26 -7.329 0.273 -7.693 203 H ALA 27 HN ALA 27 -5.258 1.496 -7.110 204 HA ALA 27 HA ALA 27 -6.196 3.987 -7.610 205 1HB ALA 27 HB1 ALA 27 -5.117 3.471 -5.537 206 2HB ALA 27 HB2 ALA 27 -4.382 4.903 -6.244 207 3HB ALA 27 HB3 ALA 27 -3.551 3.354 -6.333 208 H GLY 28 HN GLY 28 -2.710 3.495 -8.043 209 1HA GLY 28 HA2 GLY 28 -2.216 3.960 -10.646 210 2HA GLY 28 HA1 GLY 28 -2.621 5.569 -10.071 211 H ILE 29 HN ILE 29 -1.141 3.705 -7.663 212 HA ILE 29 HA ILE 29 1.394 5.106 -8.047 213 HB ILE 29 HB ILE 29 1.822 4.694 -5.696 214 1HG1 ILE 29 HG12 ILE 29 -0.928 3.711 -5.205 215 2HG1 ILE 29 HG11 ILE 29 0.227 2.558 -5.858 216 1HG2 ILE 29 HG21 ILE 29 -0.720 6.030 -6.493 217 2HG2 ILE 29 HG22 ILE 29 0.800 6.742 -5.951 218 3HG2 ILE 29 HG23 ILE 29 -0.267 5.952 -4.791 219 1HD1 ILE 29 HD11 ILE 29 1.603 2.696 -3.982 220 2HD1 ILE 29 HD12 ILE 29 -0.035 2.674 -3.330 221 3HD1 ILE 29 HD13 ILE 29 0.854 4.194 -3.432 222 H ARG 30 HN ARG 30 3.260 3.694 -6.832 223 HA ARG 30 HA ARG 30 3.613 1.470 -8.569 224 1HB ARG 30 HB2 ARG 30 5.179 2.249 -6.101 225 2HB ARG 30 HB1 ARG 30 5.695 1.082 -7.311 226 1HG ARG 30 HG2 ARG 30 5.359 3.107 -8.945 227 2HG ARG 30 HG1 ARG 30 5.568 4.047 -7.467 228 1HD ARG 30 HD2 ARG 30 7.762 3.632 -7.392 229 2HD ARG 30 HD1 ARG 30 7.532 1.917 -7.732 230 HE ARG 30 HE ARG 30 8.166 2.355 -9.868 231 1HH1 ARG 30 HH11 ARG 30 6.835 5.288 -8.525 232 2HH1 ARG 30 HH12 ARG 30 7.147 6.228 -9.945 233 1HH2 ARG 30 HH21 ARG 30 8.579 3.590 -11.737 234 2HH2 ARG 30 HH22 ARG 30 8.136 5.265 -11.768 235 H LYS 31 HN LYS 31 2.949 -0.502 -8.342 236 HA LYS 31 HA LYS 31 2.238 -1.593 -5.714 237 1HB LYS 31 HB2 LYS 31 0.369 -2.754 -6.721 238 2HB LYS 31 HB1 LYS 31 0.231 -1.037 -7.073 239 1HG LYS 31 HG2 LYS 31 -0.133 -1.719 -9.175 240 2HG LYS 31 HG1 LYS 31 1.618 -1.904 -9.238 241 1HD LYS 31 HD2 LYS 31 1.301 -4.269 -8.450 242 2HD LYS 31 HD1 LYS 31 -0.433 -4.039 -8.679 243 1HE LYS 31 HE2 LYS 31 1.745 -4.009 -10.747 244 2HE LYS 31 HE1 LYS 31 0.342 -5.072 -10.651 245 1HZ LYS 31 HZ1 LYS 31 0.508 -2.289 -11.564 246 2HZ LYS 31 HZ2 LYS 31 -0.935 -2.823 -10.862 247 3HZ LYS 31 HZ3 LYS 31 -0.330 -3.596 -12.239 248 H SER 32 HN SER 32 3.386 -3.371 -5.244 249 HA SER 32 HA SER 32 4.055 -5.257 -7.329 250 1HB SER 32 HB2 SER 32 6.294 -4.386 -5.541 251 2HB SER 32 HB1 SER 32 6.364 -5.169 -7.121 252 HG SER 32 HG SER 32 6.376 -2.543 -6.522 253 H ALA 33 HN ALA 33 5.413 -7.086 -6.264 254 HA ALA 33 HA ALA 33 4.238 -7.738 -3.638 255 1HB ALA 33 HB1 ALA 33 4.917 -10.161 -4.790 256 2HB ALA 33 HB2 ALA 33 4.259 -9.245 -6.145 257 3HB ALA 33 HB3 ALA 33 3.288 -9.491 -4.694 258 H ASP 34 HN ASP 34 6.043 -6.911 -2.505 259 HA ASP 34 HA ASP 34 8.149 -7.042 -1.587 260 1HB ASP 34 HB2 ASP 34 7.770 -9.564 -1.753 261 2HB ASP 34 HB1 ASP 34 8.658 -9.500 -3.272 262 H ASP 35 HN ASP 35 8.101 -5.137 -3.089 263 HA ASP 35 HA ASP 35 10.553 -4.999 -4.509 264 1HB ASP 35 HB2 ASP 35 9.161 -6.199 -6.198 265 2HB ASP 35 HB1 ASP 35 8.087 -4.810 -6.242 266 H SER 36 HN SER 36 8.293 -2.909 -6.077 267 HA SER 36 HA SER 36 8.797 -0.910 -3.971 268 1HB SER 36 HB2 SER 36 8.814 -0.026 -6.827 269 2HB SER 36 HB1 SER 36 9.653 0.652 -5.432 270 HG SER 36 HG SER 36 10.284 -1.742 -6.818 271 H VAL 37 HN VAL 37 7.141 0.017 -3.229 272 HA VAL 37 HA VAL 37 4.854 0.877 -4.777 273 HB VAL 37 HB VAL 37 4.745 -0.883 -2.329 274 1HG1 VAL 37 HG11 VAL 37 2.537 0.728 -3.578 275 2HG1 VAL 37 HG12 VAL 37 3.047 0.682 -1.894 276 3HG1 VAL 37 HG13 VAL 37 2.229 -0.706 -2.606 277 1HG2 VAL 37 HG21 VAL 37 3.140 -2.108 -3.985 278 2HG2 VAL 37 HG22 VAL 37 4.886 -2.323 -4.085 279 3HG2 VAL 37 HG23 VAL 37 4.070 -1.227 -5.195 280 H SER 38 HN SER 38 3.391 2.266 -3.109 281 HA SER 38 HA SER 38 5.282 3.931 -1.624 282 1HB SER 38 HB2 SER 38 3.715 4.933 -3.370 283 2HB SER 38 HB1 SER 38 2.400 4.589 -2.246 284 HG SER 38 HG SER 38 3.697 5.845 -0.689 285 H ALA 39 HN ALA 39 5.318 3.755 0.585 286 HA ALA 39 HA ALA 39 3.327 2.153 1.918 287 1HB ALA 39 HB1 ALA 39 5.853 3.444 2.940 288 2HB ALA 39 HB2 ALA 39 5.650 1.759 2.458 289 3HB ALA 39 HB3 ALA 39 4.807 2.378 3.878 290 H GLN 40 HN GLN 40 2.197 2.858 3.809 291 HA GLN 40 HA GLN 40 0.997 4.314 5.089 292 1HB GLN 40 HB2 GLN 40 3.389 5.630 4.793 293 2HB GLN 40 HB1 GLN 40 2.248 6.798 4.145 294 1HG GLN 40 HG2 GLN 40 0.932 6.575 6.247 295 2HG GLN 40 HG1 GLN 40 2.229 5.565 6.887 296 1HE2 GLN 40 HE21 GLN 40 1.138 8.736 6.295 297 2HE2 GLN 40 HE22 GLN 40 2.526 9.576 6.890 298 H GLU 41 HN GLU 41 0.964 4.035 1.898 299 HA GLU 41 HA GLU 41 -0.609 6.254 1.105 300 1HB GLU 41 HB2 GLU 41 0.708 4.199 -0.209 301 2HB GLU 41 HB1 GLU 41 -0.993 3.882 -0.520 302 1HG GLU 41 HG2 GLU 41 -0.435 5.237 -2.284 303 2HG GLU 41 HG1 GLU 41 -1.071 6.406 -1.127 304 H LYS 42 HN LYS 42 -1.234 3.393 2.846 305 HA LYS 42 HA LYS 42 -3.658 2.441 2.350 306 1HB LYS 42 HB2 LYS 42 -4.094 2.252 4.742 307 2HB LYS 42 HB1 LYS 42 -2.403 1.923 4.387 308 1HG LYS 42 HG2 LYS 42 -2.012 3.312 6.095 309 2HG LYS 42 HG1 LYS 42 -2.308 4.578 4.902 310 1HD LYS 42 HD2 LYS 42 -4.192 5.228 5.914 311 2HD LYS 42 HD1 LYS 42 -4.766 3.568 6.083 312 1HE LYS 42 HE2 LYS 42 -2.764 3.629 7.920 313 2HE LYS 42 HE1 LYS 42 -3.352 5.289 7.999 314 1HZ LYS 42 HZ1 LYS 42 -4.789 4.364 9.448 315 2HZ LYS 42 HZ2 LYS 42 -4.666 2.816 8.782 316 3HZ LYS 42 HZ3 LYS 42 -5.651 3.976 8.045 317 H GLN 43 HN GLN 43 -3.148 5.744 3.525 318 HA GLN 43 HA GLN 43 -5.669 6.541 4.234 319 1HB GLN 43 HB2 GLN 43 -3.606 8.056 2.628 320 2HB GLN 43 HB1 GLN 43 -5.055 8.800 3.290 321 1HG GLN 43 HG2 GLN 43 -4.343 8.450 5.507 322 2HG GLN 43 HG1 GLN 43 -3.060 7.351 5.001 323 1HE2 GLN 43 HE21 GLN 43 -3.935 10.576 5.628 324 2HE2 GLN 43 HE22 GLN 43 -2.439 11.318 5.186 325 H THR 44 HN THR 44 -4.359 6.293 0.960 326 HA THR 44 HA THR 44 -6.713 7.167 -0.325 327 HB THR 44 HB THR 44 -5.077 5.482 -2.011 328 HG1 THR 44 HG1 THR 44 -3.798 7.648 -0.701 329 1HG2 THR 44 HG21 THR 44 -4.918 8.357 -2.386 330 2HG2 THR 44 HG22 THR 44 -6.570 7.744 -2.314 331 3HG2 THR 44 HG23 THR 44 -5.437 7.090 -3.497 332 H LEU 45 HN LEU 45 -5.497 3.940 0.575 333 HA LEU 45 HA LEU 45 -7.161 2.293 -0.829 334 1HB LEU 45 HB2 LEU 45 -5.510 1.917 1.288 335 2HB LEU 45 HB1 LEU 45 -7.068 1.700 2.066 336 HG LEU 45 HG LEU 45 -6.275 0.193 -0.413 337 1HD1 LEU 45 HD11 LEU 45 -4.690 -0.224 1.452 338 2HD1 LEU 45 HD12 LEU 45 -5.615 -1.640 0.952 339 3HD1 LEU 45 HD13 LEU 45 -6.055 -0.775 2.424 340 1HD2 LEU 45 HD21 LEU 45 -8.423 -0.178 1.666 341 2HD2 LEU 45 HD22 LEU 45 -8.030 -1.364 0.420 342 3HD2 LEU 45 HD23 LEU 45 -8.639 0.227 -0.037 343 H ILE 46 HN ILE 46 -7.937 4.001 2.191 344 HA ILE 46 HA ILE 46 -10.597 3.240 2.481 345 HB ILE 46 HB ILE 46 -9.507 6.030 2.937 346 1HG1 ILE 46 HG12 ILE 46 -9.781 4.190 5.226 347 2HG1 ILE 46 HG11 ILE 46 -8.508 3.768 4.085 348 1HG2 ILE 46 HG21 ILE 46 -11.902 5.997 3.012 349 2HG2 ILE 46 HG22 ILE 46 -11.293 6.127 4.663 350 3HG2 ILE 46 HG23 ILE 46 -11.896 4.581 4.063 351 1HD1 ILE 46 HD11 ILE 46 -7.700 6.152 4.321 352 2HD1 ILE 46 HD12 ILE 46 -7.498 5.106 5.727 353 3HD1 ILE 46 HD13 ILE 46 -8.808 6.287 5.686 354 H ASP 47 HN ASP 47 -9.088 5.781 0.591 355 HA ASP 47 HA ASP 47 -11.204 7.015 -0.580 356 1HB ASP 47 HB2 ASP 47 -8.580 7.322 -0.831 357 2HB ASP 47 HB1 ASP 47 -8.892 6.474 -2.342 358 H HIS 48 HN HIS 48 -9.520 4.119 -1.775 359 HA HIS 48 HA HIS 48 -10.868 3.669 -4.132 360 1HB HIS 48 HB2 HIS 48 -9.900 1.678 -2.070 361 2HB HIS 48 HB1 HIS 48 -10.531 1.199 -3.635 362 HD1 HIS 48 HD1 HIS 48 -7.677 3.259 -2.198 363 HD2 HIS 48 HD2 HIS 48 -8.628 1.033 -5.578 364 HE1 HIS 48 HE1 HIS 48 -5.525 3.022 -3.499 365 HE2 HIS 48 HE2 HIS 48 -6.201 1.883 -5.629 366 H LEU 49 HN LEU 49 -11.777 2.604 -0.873 367 HA LEU 49 HA LEU 49 -14.096 1.238 -1.432 368 1HB LEU 49 HB2 LEU 49 -12.785 2.075 0.845 369 2HB LEU 49 HB1 LEU 49 -14.327 2.901 0.955 370 HG LEU 49 HG LEU 49 -15.498 0.748 0.764 371 1HD1 LEU 49 HD11 LEU 49 -13.846 -1.264 1.218 372 2HD1 LEU 49 HD12 LEU 49 -12.729 -0.230 0.328 373 3HD1 LEU 49 HD13 LEU 49 -14.243 -0.741 -0.419 374 1HD2 LEU 49 HD21 LEU 49 -15.151 1.465 2.976 375 2HD2 LEU 49 HD22 LEU 49 -13.435 1.061 2.926 376 3HD2 LEU 49 HD23 LEU 49 -14.642 -0.224 2.952 377 H ASN 50 HN ASN 50 -14.132 4.566 -0.162 378 HA ASN 50 HA ASN 50 -16.786 5.041 -1.057 379 1HB ASN 50 HB2 ASN 50 -14.709 6.516 0.393 380 2HB ASN 50 HB1 ASN 50 -15.715 7.543 -0.624 381 1HD2 ASN 50 HD21 ASN 50 -16.649 8.537 1.153 382 2HD2 ASN 50 HD22 ASN 50 -17.815 7.738 2.148 Start of MODEL 6 1 1H THR 2 HT1 THR 2 9.929 8.270 1.832 2 2H THR 2 HT2 THR 2 8.873 9.489 2.419 3 3H THR 2 HT3 THR 2 8.726 8.929 0.804 4 HA THR 2 HA THR 2 8.406 7.168 3.126 5 HB THR 2 HB THR 2 6.824 8.998 3.364 6 HG1 THR 2 HG1 THR 2 5.094 7.745 3.561 7 1HG2 THR 2 HG21 THR 2 6.470 10.076 1.391 8 2HG2 THR 2 HG22 THR 2 5.019 9.075 1.461 9 3HG2 THR 2 HG23 THR 2 6.384 8.582 0.459 10 H ASP 3 HN ASP 3 9.782 6.569 0.761 11 HA ASP 3 HA ASP 3 7.852 4.821 -0.619 12 1HB ASP 3 HB2 ASP 3 8.859 6.693 -2.006 13 2HB ASP 3 HB1 ASP 3 10.410 5.879 -1.825 14 H VAL 4 HN VAL 4 8.205 2.703 -0.462 15 HA VAL 4 HA VAL 4 10.915 1.704 -0.061 16 HB VAL 4 HB VAL 4 8.910 0.366 1.643 17 1HG1 VAL 4 HG11 VAL 4 11.069 0.737 3.181 18 2HG1 VAL 4 HG12 VAL 4 11.811 0.895 1.590 19 3HG1 VAL 4 HG13 VAL 4 10.930 -0.574 2.009 20 1HG2 VAL 4 HG21 VAL 4 9.024 1.953 3.451 21 2HG2 VAL 4 HG22 VAL 4 8.386 2.762 2.021 22 3HG2 VAL 4 HG23 VAL 4 10.063 3.018 2.503 23 H THR 5 HN THR 5 10.719 -0.866 -0.026 24 HA THR 5 HA THR 5 9.234 -1.483 -2.441 25 HB THR 5 HB THR 5 10.614 -3.292 -2.737 26 HG1 THR 5 HG1 THR 5 10.486 -4.629 -1.113 27 1HG2 THR 5 HG21 THR 5 12.677 -2.467 -2.684 28 2HG2 THR 5 HG22 THR 5 12.652 -2.264 -0.931 29 3HG2 THR 5 HG23 THR 5 11.937 -1.033 -1.973 30 H ILE 6 HN ILE 6 7.351 -2.420 -2.495 31 HA ILE 6 HA ILE 6 5.764 -2.964 -0.301 32 HB ILE 6 HB ILE 6 4.873 -2.733 -2.620 33 1HG1 ILE 6 HG12 ILE 6 3.722 -3.791 -0.528 34 2HG1 ILE 6 HG11 ILE 6 2.942 -3.915 -2.094 35 1HG2 ILE 6 HG21 ILE 6 4.672 -4.855 -3.942 36 2HG2 ILE 6 HG22 ILE 6 5.923 -5.531 -2.900 37 3HG2 ILE 6 HG23 ILE 6 6.275 -4.126 -3.905 38 1HD1 ILE 6 HD11 ILE 6 4.686 -6.154 -1.608 39 2HD1 ILE 6 HD12 ILE 6 2.973 -6.117 -2.010 40 3HD1 ILE 6 HD13 ILE 6 3.483 -5.969 -0.337 41 H LYS 7 HN LYS 7 4.989 -4.771 0.630 42 HA LYS 7 HA LYS 7 4.917 -7.020 1.246 43 1HB LYS 7 HB2 LYS 7 6.555 -7.382 -0.876 44 2HB LYS 7 HB1 LYS 7 7.702 -7.658 0.427 45 1HG LYS 7 HG2 LYS 7 5.135 -9.139 -0.093 46 2HG LYS 7 HG1 LYS 7 6.780 -9.756 -0.255 47 1HD LYS 7 HD2 LYS 7 7.103 -9.843 2.051 48 2HD LYS 7 HD1 LYS 7 5.788 -8.712 2.375 49 1HE LYS 7 HE2 LYS 7 5.038 -11.224 1.023 50 2HE LYS 7 HE1 LYS 7 5.584 -11.378 2.692 51 1HZ LYS 7 HZ1 LYS 7 3.077 -10.869 2.049 52 2HZ LYS 7 HZ2 LYS 7 3.642 -9.277 2.133 53 3HZ LYS 7 HZ3 LYS 7 3.780 -10.294 3.477 54 H THR 8 HN THR 8 8.293 -5.788 1.396 55 HA THR 8 HA THR 8 8.683 -6.530 4.097 56 HB THR 8 HB THR 8 9.921 -4.132 2.713 57 HG1 THR 8 HG1 THR 8 10.703 -6.853 2.607 58 1HG2 THR 8 HG21 THR 8 11.256 -3.954 4.457 59 2HG2 THR 8 HG22 THR 8 11.732 -5.645 4.307 60 3HG2 THR 8 HG23 THR 8 10.325 -5.210 5.274 61 H LEU 9 HN LEU 9 7.594 -3.640 2.463 62 HA LEU 9 HA LEU 9 6.871 -2.176 4.808 63 1HB LEU 9 HB2 LEU 9 7.147 -1.594 2.089 64 2HB LEU 9 HB1 LEU 9 5.428 -1.431 2.393 65 HG LEU 9 HG LEU 9 7.661 0.063 3.768 66 1HD1 LEU 9 HD11 LEU 9 7.195 0.983 1.622 67 2HD1 LEU 9 HD12 LEU 9 6.437 2.026 2.822 68 3HD1 LEU 9 HD13 LEU 9 5.457 0.892 1.894 69 1HD2 LEU 9 HD21 LEU 9 6.107 1.066 5.198 70 2HD2 LEU 9 HD22 LEU 9 5.695 -0.648 5.244 71 3HD2 LEU 9 HD23 LEU 9 4.730 0.465 4.275 72 H ALA 10 HN ALA 10 5.197 -4.096 2.354 73 HA ALA 10 HA ALA 10 2.574 -3.855 3.047 74 1HB ALA 10 HB1 ALA 10 3.525 -6.611 2.546 75 2HB ALA 10 HB2 ALA 10 3.826 -5.393 1.316 76 3HB ALA 10 HB3 ALA 10 2.186 -5.727 1.822 77 H ALA 11 HN ALA 11 4.935 -6.108 4.430 78 HA ALA 11 HA ALA 11 3.255 -7.227 6.394 79 1HB ALA 11 HB1 ALA 11 5.609 -7.977 5.549 80 2HB ALA 11 HB2 ALA 11 5.148 -8.275 7.226 81 3HB ALA 11 HB3 ALA 11 6.200 -6.917 6.828 82 H GLU 12 HN GLU 12 5.605 -4.584 6.459 83 HA GLU 12 HA GLU 12 5.778 -3.714 8.950 84 1HB GLU 12 HB2 GLU 12 6.386 -2.541 6.687 85 2HB GLU 12 HB1 GLU 12 4.891 -1.658 6.965 86 1HG GLU 12 HG2 GLU 12 6.042 -1.367 9.369 87 2HG GLU 12 HG1 GLU 12 7.480 -1.499 8.359 88 H ARG 13 HN ARG 13 3.046 -2.338 7.013 89 HA ARG 13 HA ARG 13 1.682 -1.640 9.411 90 1HB ARG 13 HB2 ARG 13 1.010 -1.554 6.519 91 2HB ARG 13 HB1 ARG 13 -0.284 -1.387 7.694 92 1HG ARG 13 HG2 ARG 13 2.172 0.350 7.556 93 2HG ARG 13 HG1 ARG 13 0.577 0.786 6.949 94 1HD ARG 13 HD2 ARG 13 -0.103 1.411 8.972 95 2HD ARG 13 HD1 ARG 13 0.427 -0.111 9.685 96 HE ARG 13 HE ARG 13 2.738 1.252 9.390 97 1HH1 ARG 13 HH11 ARG 13 -0.332 2.078 10.834 98 2HH1 ARG 13 HH12 ARG 13 0.364 3.153 11.999 99 1HH2 ARG 13 HH21 ARG 13 3.654 2.669 10.922 100 2HH2 ARG 13 HH22 ARG 13 2.626 3.489 12.049 101 H GLN 14 HN GLN 14 1.190 -4.066 7.000 102 HA GLN 14 HA GLN 14 0.440 -6.240 7.199 103 1HB GLN 14 HB2 GLN 14 1.051 -5.985 9.694 104 2HB GLN 14 HB1 GLN 14 -0.659 -5.652 9.937 105 1HG GLN 14 HG2 GLN 14 -0.313 -7.951 10.382 106 2HG GLN 14 HG1 GLN 14 -1.156 -7.839 8.838 107 1HE2 GLN 14 HE21 GLN 14 0.164 -10.124 9.541 108 2HE2 GLN 14 HE22 GLN 14 1.559 -10.327 8.541 109 H THR 15 HN THR 15 -1.494 -3.513 8.219 110 HA THR 15 HA THR 15 -3.760 -4.651 6.745 111 HB THR 15 HB THR 15 -4.170 -2.995 9.222 112 HG1 THR 15 HG1 THR 15 -3.945 -4.689 10.459 113 1HG2 THR 15 HG21 THR 15 -6.338 -3.883 9.272 114 2HG2 THR 15 HG22 THR 15 -5.946 -5.123 8.081 115 3HG2 THR 15 HG23 THR 15 -6.049 -3.431 7.592 116 H SER 16 HN SER 16 -1.534 -2.409 6.533 117 HA SER 16 HA SER 16 -3.407 -0.419 5.462 118 1HB SER 16 HB2 SER 16 -1.395 -0.023 7.523 119 2HB SER 16 HB1 SER 16 -1.162 1.064 6.156 120 HG SER 16 HG SER 16 -2.950 1.240 8.099 121 H VAL 17 HN VAL 17 0.147 -0.191 5.397 122 HA VAL 17 HA VAL 17 0.226 0.493 2.798 123 HB VAL 17 HB VAL 17 2.097 0.983 4.043 124 1HG1 VAL 17 HG11 VAL 17 3.630 -1.128 4.629 125 2HG1 VAL 17 HG12 VAL 17 2.047 -1.892 4.760 126 3HG1 VAL 17 HG13 VAL 17 2.430 -0.479 5.743 127 1HG2 VAL 17 HG21 VAL 17 3.608 0.698 2.419 128 2HG2 VAL 17 HG22 VAL 17 2.300 -0.119 1.566 129 3HG2 VAL 17 HG23 VAL 17 3.487 -1.061 2.467 130 H GLU 18 HN GLU 18 0.651 -2.960 3.866 131 HA GLU 18 HA GLU 18 1.186 -4.014 1.363 132 1HB GLU 18 HB2 GLU 18 1.050 -5.424 3.367 133 2HB GLU 18 HB1 GLU 18 -0.674 -5.119 3.488 134 1HG GLU 18 HG2 GLU 18 -0.337 -6.140 0.932 135 2HG GLU 18 HG1 GLU 18 0.748 -7.097 1.939 136 H ARG 19 HN ARG 19 -2.022 -3.664 2.791 137 HA ARG 19 HA ARG 19 -3.587 -4.222 0.618 138 1HB ARG 19 HB2 ARG 19 -4.076 -3.471 3.175 139 2HB ARG 19 HB1 ARG 19 -4.572 -2.027 2.302 140 1HG ARG 19 HG2 ARG 19 -6.522 -3.281 2.488 141 2HG ARG 19 HG1 ARG 19 -5.960 -3.606 0.847 142 1HD ARG 19 HD2 ARG 19 -5.784 -5.782 1.270 143 2HD ARG 19 HD1 ARG 19 -4.802 -5.479 2.703 144 HE ARG 19 HE ARG 19 -7.626 -6.042 2.612 145 1HH1 ARG 19 HH11 ARG 19 -5.030 -4.651 4.488 146 2HH1 ARG 19 HH12 ARG 19 -5.851 -4.848 5.999 147 1HH2 ARG 19 HH21 ARG 19 -8.705 -6.300 4.599 148 2HH2 ARG 19 HH22 ARG 19 -7.936 -5.784 6.063 149 H LEU 20 HN LEU 20 -2.250 -1.179 1.605 150 HA LEU 20 HA LEU 20 -3.460 0.431 -0.296 151 1HB LEU 20 HB2 LEU 20 -2.137 2.137 0.420 152 2HB LEU 20 HB1 LEU 20 -2.030 1.052 1.783 153 HG LEU 20 HG LEU 20 0.209 0.293 0.920 154 1HD1 LEU 20 HD11 LEU 20 -0.592 1.925 -1.320 155 2HD1 LEU 20 HD12 LEU 20 0.802 0.857 -1.159 156 3HD1 LEU 20 HD13 LEU 20 0.908 2.533 -0.625 157 1HD2 LEU 20 HD21 LEU 20 -0.353 2.209 2.593 158 2HD2 LEU 20 HD22 LEU 20 0.276 3.240 1.318 159 3HD2 LEU 20 HD23 LEU 20 1.295 1.985 2.011 160 H VAL 21 HN VAL 21 -0.337 -1.240 -0.515 161 HA VAL 21 HA VAL 21 0.479 -0.290 -2.951 162 HB VAL 21 HB VAL 21 0.855 -3.200 -2.537 163 1HG1 VAL 21 HG11 VAL 21 2.978 -1.140 -2.931 164 2HG1 VAL 21 HG12 VAL 21 1.925 -1.583 -4.272 165 3HG1 VAL 21 HG13 VAL 21 2.922 -2.807 -3.495 166 1HG2 VAL 21 HG21 VAL 21 2.784 -2.274 -0.910 167 2HG2 VAL 21 HG22 VAL 21 1.241 -2.892 -0.330 168 3HG2 VAL 21 HG23 VAL 21 1.489 -1.155 -0.512 169 H GLN 22 HN GLN 22 -1.683 -3.093 -2.401 170 HA GLN 22 HA GLN 22 -1.963 -3.722 -5.125 171 1HB GLN 22 HB2 GLN 22 -4.058 -4.151 -3.009 172 2HB GLN 22 HB1 GLN 22 -3.878 -5.048 -4.509 173 1HG GLN 22 HG2 GLN 22 -2.164 -6.305 -3.720 174 2HG GLN 22 HG1 GLN 22 -1.581 -5.037 -2.644 175 1HE2 GLN 22 HE21 GLN 22 -1.839 -7.700 -1.874 176 2HE2 GLN 22 HE22 GLN 22 -3.069 -7.810 -0.666 177 H GLN 23 HN GLN 23 -4.573 -2.255 -3.225 178 HA GLN 23 HA GLN 23 -6.173 -1.515 -5.342 179 1HB GLN 23 HB2 GLN 23 -5.969 -0.891 -2.549 180 2HB GLN 23 HB1 GLN 23 -6.345 0.578 -3.434 181 1HG GLN 23 HG2 GLN 23 -8.398 -0.403 -2.778 182 2HG GLN 23 HG1 GLN 23 -8.232 -0.655 -4.515 183 1HE2 GLN 23 HE21 GLN 23 -8.785 -2.106 -1.530 184 2HE2 GLN 23 HE22 GLN 23 -8.679 -3.757 -2.028 185 H PHE 24 HN PHE 24 -3.614 0.293 -3.829 186 HA PHE 24 HA PHE 24 -3.715 2.642 -5.209 187 1HB PHE 24 HB2 PHE 24 -1.432 1.256 -3.854 188 2HB PHE 24 HB1 PHE 24 -1.259 2.844 -4.606 189 HD1 PHE 24 HD1 PHE 24 -1.231 4.448 -2.883 190 HD2 PHE 24 HD2 PHE 24 -4.088 1.309 -2.796 191 HE1 PHE 24 HE1 PHE 24 -2.426 5.550 -1.039 192 HE2 PHE 24 HE2 PHE 24 -5.242 2.380 -0.975 193 HZ PHE 24 HZ PHE 24 -4.471 4.522 -0.120 194 H ALA 25 HN ALA 25 -2.046 -0.321 -6.142 195 HA ALA 25 HA ALA 25 -0.667 0.536 -8.363 196 1HB ALA 25 HB1 ALA 25 -2.370 -1.951 -8.063 197 2HB ALA 25 HB2 ALA 25 -0.648 -1.806 -7.724 198 3HB ALA 25 HB3 ALA 25 -1.233 -1.676 -9.381 199 H ASP 26 HN ASP 26 -4.065 -0.276 -7.902 200 HA ASP 26 HA ASP 26 -4.964 0.545 -10.485 201 1HB ASP 26 HB2 ASP 26 -6.132 -0.666 -8.273 202 2HB ASP 26 HB1 ASP 26 -6.910 0.912 -8.332 203 H ALA 27 HN ALA 27 -4.875 2.154 -7.297 204 HA ALA 27 HA ALA 27 -5.996 4.600 -7.753 205 1HB ALA 27 HB1 ALA 27 -5.106 3.957 -5.601 206 2HB ALA 27 HB2 ALA 27 -4.505 5.534 -6.087 207 3HB ALA 27 HB3 ALA 27 -3.465 4.119 -6.212 208 H GLY 28 HN GLY 28 -2.508 4.211 -7.812 209 1HA GLY 28 HA2 GLY 28 -1.634 4.969 -10.245 210 2HA GLY 28 HA1 GLY 28 -2.075 6.513 -9.508 211 H ILE 29 HN ILE 29 -0.822 3.610 -8.063 212 HA ILE 29 HA ILE 29 1.678 4.900 -7.274 213 HB ILE 29 HB ILE 29 0.321 3.166 -5.274 214 1HG1 ILE 29 HG12 ILE 29 -1.447 4.745 -5.996 215 2HG1 ILE 29 HG11 ILE 29 -0.923 5.054 -4.348 216 1HG2 ILE 29 HG21 ILE 29 1.406 5.319 -3.988 217 2HG2 ILE 29 HG22 ILE 29 2.468 5.144 -5.385 218 3HG2 ILE 29 HG23 ILE 29 2.231 3.788 -4.284 219 1HD1 ILE 29 HD11 ILE 29 -1.054 6.856 -6.494 220 2HD1 ILE 29 HD12 ILE 29 0.654 6.621 -6.122 221 3HD1 ILE 29 HD13 ILE 29 -0.460 7.147 -4.859 222 H ARG 30 HN ARG 30 2.937 2.956 -5.937 223 HA ARG 30 HA ARG 30 3.512 1.099 -8.024 224 1HB ARG 30 HB2 ARG 30 4.500 0.929 -5.182 225 2HB ARG 30 HB1 ARG 30 5.279 0.318 -6.634 226 1HG ARG 30 HG2 ARG 30 4.790 3.248 -6.264 227 2HG ARG 30 HG1 ARG 30 6.192 2.455 -5.547 228 1HD ARG 30 HD2 ARG 30 6.631 1.543 -7.904 229 2HD ARG 30 HD1 ARG 30 5.486 2.769 -8.445 230 HE ARG 30 HE ARG 30 7.616 3.764 -6.771 231 1HH1 ARG 30 HH11 ARG 30 6.590 3.087 -10.038 232 2HH1 ARG 30 HH12 ARG 30 7.692 4.219 -10.750 233 1HH2 ARG 30 HH21 ARG 30 9.060 5.253 -7.703 234 2HH2 ARG 30 HH22 ARG 30 9.093 5.449 -9.424 235 H LYS 31 HN LYS 31 3.330 -1.107 -8.017 236 HA LYS 31 HA LYS 31 0.925 -2.159 -6.875 237 1HB LYS 31 HB2 LYS 31 2.562 -2.657 -9.132 238 2HB LYS 31 HB1 LYS 31 2.465 -4.157 -8.225 239 1HG LYS 31 HG2 LYS 31 -0.098 -3.628 -8.212 240 2HG LYS 31 HG1 LYS 31 0.324 -2.632 -9.608 241 1HD LYS 31 HD2 LYS 31 0.975 -4.445 -10.876 242 2HD LYS 31 HD1 LYS 31 1.309 -5.446 -9.461 243 1HE LYS 31 HE2 LYS 31 -1.485 -4.626 -9.672 244 2HE LYS 31 HE1 LYS 31 -0.934 -5.588 -11.041 245 1HZ LYS 31 HZ1 LYS 31 -0.217 -7.306 -9.536 246 2HZ LYS 31 HZ2 LYS 31 -1.843 -6.950 -9.240 247 3HZ LYS 31 HZ3 LYS 31 -0.648 -6.374 -8.192 248 H SER 32 HN SER 32 0.721 -4.207 -5.891 249 HA SER 32 HA SER 32 2.702 -4.672 -3.815 250 1HB SER 32 HB2 SER 32 0.987 -5.396 -2.517 251 2HB SER 32 HB1 SER 32 0.005 -4.524 -3.692 252 HG SER 32 HG SER 32 0.495 -7.295 -3.503 253 H ALA 33 HN ALA 33 2.743 -7.056 -3.075 254 HA ALA 33 HA ALA 33 3.077 -9.301 -3.484 255 1HB ALA 33 HB1 ALA 33 3.283 -8.816 -6.436 256 2HB ALA 33 HB2 ALA 33 1.711 -8.950 -5.647 257 3HB ALA 33 HB3 ALA 33 2.850 -10.295 -5.578 258 H ASP 34 HN ASP 34 4.965 -7.530 -2.671 259 HA ASP 34 HA ASP 34 7.232 -7.234 -2.535 260 1HB ASP 34 HB2 ASP 34 7.039 -9.816 -2.658 261 2HB ASP 34 HB1 ASP 34 7.609 -9.631 -4.314 262 H ASP 35 HN ASP 35 7.726 -5.415 -3.576 263 HA ASP 35 HA ASP 35 9.221 -5.279 -5.866 264 1HB ASP 35 HB2 ASP 35 7.292 -6.143 -7.131 265 2HB ASP 35 HB1 ASP 35 6.304 -4.808 -6.552 266 H SER 36 HN SER 36 6.712 -2.929 -6.264 267 HA SER 36 HA SER 36 8.222 -1.130 -4.480 268 1HB SER 36 HB2 SER 36 7.252 0.682 -6.134 269 2HB SER 36 HB1 SER 36 8.711 -0.220 -6.547 270 HG SER 36 HG SER 36 7.394 -1.623 -7.784 271 H VAL 37 HN VAL 37 7.156 0.124 -3.069 272 HA VAL 37 HA VAL 37 4.219 0.270 -3.134 273 HB VAL 37 HB VAL 37 4.791 -1.559 -1.602 274 1HG1 VAL 37 HG11 VAL 37 7.056 -0.737 -1.046 275 2HG1 VAL 37 HG12 VAL 37 6.125 -1.214 0.370 276 3HG1 VAL 37 HG13 VAL 37 6.320 0.492 -0.026 277 1HG2 VAL 37 HG21 VAL 37 3.986 0.783 0.084 278 2HG2 VAL 37 HG22 VAL 37 3.502 -0.903 0.243 279 3HG2 VAL 37 HG23 VAL 37 2.904 0.060 -1.107 280 H SER 38 HN SER 38 3.354 1.866 -1.570 281 HA SER 38 HA SER 38 5.253 4.025 -0.980 282 1HB SER 38 HB2 SER 38 3.866 4.772 -2.824 283 2HB SER 38 HB1 SER 38 2.404 4.254 -1.985 284 HG SER 38 HG SER 38 3.450 6.614 -1.899 285 H ALA 39 HN ALA 39 5.337 4.398 1.188 286 HA ALA 39 HA ALA 39 3.420 3.170 2.948 287 1HB ALA 39 HB1 ALA 39 5.142 4.708 4.500 288 2HB ALA 39 HB2 ALA 39 6.132 4.161 3.146 289 3HB ALA 39 HB3 ALA 39 5.286 2.985 4.152 290 H GLN 40 HN GLN 40 2.243 4.310 4.585 291 HA GLN 40 HA GLN 40 0.923 5.982 5.395 292 1HB GLN 40 HB2 GLN 40 3.313 7.333 4.532 293 2HB GLN 40 HB1 GLN 40 1.916 8.336 4.169 294 1HG GLN 40 HG2 GLN 40 1.451 8.717 6.343 295 2HG GLN 40 HG1 GLN 40 2.000 7.122 6.857 296 1HE2 GLN 40 HE21 GLN 40 2.944 10.386 6.123 297 2HE2 GLN 40 HE22 GLN 40 4.518 10.307 6.832 298 H GLU 41 HN GLU 41 0.841 4.754 2.574 299 HA GLU 41 HA GLU 41 -0.839 6.735 1.263 300 1HB GLU 41 HB2 GLU 41 0.875 4.588 0.346 301 2HB GLU 41 HB1 GLU 41 -0.715 4.507 -0.390 302 1HG GLU 41 HG2 GLU 41 1.265 6.761 -0.494 303 2HG GLU 41 HG1 GLU 41 0.672 5.773 -1.828 304 H LYS 42 HN LYS 42 -1.021 3.845 3.108 305 HA LYS 42 HA LYS 42 -3.232 2.503 2.386 306 1HB LYS 42 HB2 LYS 42 -3.758 2.179 4.777 307 2HB LYS 42 HB1 LYS 42 -2.043 2.000 4.432 308 1HG LYS 42 HG2 LYS 42 -2.989 4.677 5.272 309 2HG LYS 42 HG1 LYS 42 -2.945 3.403 6.491 310 1HD LYS 42 HD2 LYS 42 -0.524 3.259 5.032 311 2HD LYS 42 HD1 LYS 42 -0.793 4.956 5.437 312 1HE LYS 42 HE2 LYS 42 -0.928 2.692 7.422 313 2HE LYS 42 HE1 LYS 42 0.502 3.686 7.148 314 1HZ LYS 42 HZ1 LYS 42 -0.390 5.423 8.240 315 2HZ LYS 42 HZ2 LYS 42 -1.335 4.235 8.985 316 3HZ LYS 42 HZ3 LYS 42 -1.961 5.126 7.691 317 H GLN 43 HN GLN 43 -3.250 5.802 3.609 318 HA GLN 43 HA GLN 43 -5.860 6.206 4.321 319 1HB GLN 43 HB2 GLN 43 -3.884 7.870 4.192 320 2HB GLN 43 HB1 GLN 43 -4.452 8.192 2.559 321 1HG GLN 43 HG2 GLN 43 -6.751 8.551 3.754 322 2HG GLN 43 HG1 GLN 43 -5.734 8.814 5.171 323 1HE2 GLN 43 HE21 GLN 43 -3.703 10.228 4.474 324 2HE2 GLN 43 HE22 GLN 43 -4.132 11.704 3.686 325 H THR 44 HN THR 44 -4.558 6.408 1.009 326 HA THR 44 HA THR 44 -6.977 6.942 -0.254 327 HB THR 44 HB THR 44 -5.147 5.345 -1.881 328 HG1 THR 44 HG1 THR 44 -3.543 7.001 -1.838 329 1HG2 THR 44 HG21 THR 44 -6.551 6.600 -3.168 330 2HG2 THR 44 HG22 THR 44 -5.136 7.650 -3.090 331 3HG2 THR 44 HG23 THR 44 -6.527 7.968 -2.055 332 H LEU 45 HN LEU 45 -5.549 3.802 0.643 333 HA LEU 45 HA LEU 45 -7.083 2.052 -0.780 334 1HB LEU 45 HB2 LEU 45 -5.347 1.434 0.903 335 2HB LEU 45 HB1 LEU 45 -6.495 1.801 2.176 336 HG LEU 45 HG LEU 45 -6.204 -0.644 1.617 337 1HD1 LEU 45 HD11 LEU 45 -8.369 -1.125 2.205 338 2HD1 LEU 45 HD12 LEU 45 -9.047 0.125 1.160 339 3HD1 LEU 45 HD13 LEU 45 -8.259 0.571 2.675 340 1HD2 LEU 45 HD21 LEU 45 -6.461 0.163 -0.970 341 2HD2 LEU 45 HD22 LEU 45 -8.081 -0.441 -0.623 342 3HD2 LEU 45 HD23 LEU 45 -6.682 -1.492 -0.402 343 H ILE 46 HN ILE 46 -8.009 3.655 2.260 344 HA ILE 46 HA ILE 46 -10.598 2.664 2.511 345 HB ILE 46 HB ILE 46 -9.732 5.525 3.018 346 1HG1 ILE 46 HG12 ILE 46 -9.692 3.133 4.873 347 2HG1 ILE 46 HG11 ILE 46 -8.278 3.933 4.195 348 1HG2 ILE 46 HG21 ILE 46 -12.075 3.902 3.978 349 2HG2 ILE 46 HG22 ILE 46 -12.096 5.410 3.066 350 3HG2 ILE 46 HG23 ILE 46 -11.562 5.404 4.747 351 1HD1 ILE 46 HD11 ILE 46 -10.269 5.194 6.064 352 2HD1 ILE 46 HD12 ILE 46 -8.816 5.957 5.418 353 3HD1 ILE 46 HD13 ILE 46 -8.677 4.580 6.511 354 H ASP 47 HN ASP 47 -9.296 5.357 0.666 355 HA ASP 47 HA ASP 47 -11.511 6.400 -0.514 356 1HB ASP 47 HB2 ASP 47 -8.911 6.944 -0.719 357 2HB ASP 47 HB1 ASP 47 -9.146 6.125 -2.261 358 H HIS 48 HN HIS 48 -9.497 3.768 -1.812 359 HA HIS 48 HA HIS 48 -10.821 3.233 -4.164 360 1HB HIS 48 HB2 HIS 48 -9.523 1.313 -2.217 361 2HB HIS 48 HB1 HIS 48 -10.091 0.830 -3.808 362 HD1 HIS 48 HD1 HIS 48 -7.557 3.196 -2.248 363 HD2 HIS 48 HD2 HIS 48 -8.221 1.111 -5.786 364 HE1 HIS 48 HE1 HIS 48 -5.438 3.434 -3.601 365 HE2 HIS 48 HE2 HIS 48 -5.955 2.320 -5.791 366 H LEU 49 HN LEU 49 -11.490 1.903 -0.944 367 HA LEU 49 HA LEU 49 -13.632 0.271 -1.581 368 1HB LEU 49 HB2 LEU 49 -12.324 0.984 0.717 369 2HB LEU 49 HB1 LEU 49 -13.911 1.684 0.971 370 HG LEU 49 HG LEU 49 -14.360 -0.937 0.036 371 1HD1 LEU 49 HD11 LEU 49 -13.173 -2.249 1.778 372 2HD1 LEU 49 HD12 LEU 49 -12.214 -0.816 2.145 373 3HD1 LEU 49 HD13 LEU 49 -12.106 -1.564 0.552 374 1HD2 LEU 49 HD21 LEU 49 -14.606 0.415 2.709 375 2HD2 LEU 49 HD22 LEU 49 -15.149 -1.239 2.429 376 3HD2 LEU 49 HD23 LEU 49 -15.870 0.090 1.522 377 H ASN 50 HN ASN 50 -14.008 3.428 0.024 378 HA ASN 50 HA ASN 50 -16.732 3.691 -0.565 379 1HB ASN 50 HB2 ASN 50 -15.061 5.028 1.045 380 2HB ASN 50 HB1 ASN 50 -15.102 6.164 -0.300 381 1HD2 ASN 50 HD21 ASN 50 -17.300 6.764 -1.069 382 2HD2 ASN 50 HD22 ASN 50 -18.531 6.981 0.124 Start of MODEL 7 1 1H THR 2 HT1 THR 2 8.348 9.057 2.854 2 2H THR 2 HT2 THR 2 8.860 8.047 1.564 3 3H THR 2 HT3 THR 2 8.696 7.404 3.147 4 HA THR 2 HA THR 2 6.415 7.547 3.105 5 HB THR 2 HB THR 2 5.333 8.609 1.022 6 HG1 THR 2 HG1 THR 2 6.567 9.988 -0.140 7 1HG2 THR 2 HG21 THR 2 6.744 10.753 2.492 8 2HG2 THR 2 HG22 THR 2 5.716 9.659 3.419 9 3HG2 THR 2 HG23 THR 2 5.037 10.587 2.081 10 H ASP 3 HN ASP 3 7.838 7.441 -0.168 11 HA ASP 3 HA ASP 3 6.442 4.970 -0.738 12 1HB ASP 3 HB2 ASP 3 7.524 5.178 -2.973 13 2HB ASP 3 HB1 ASP 3 6.596 6.604 -2.516 14 H VAL 4 HN VAL 4 7.252 2.981 -0.533 15 HA VAL 4 HA VAL 4 10.138 2.577 -0.571 16 HB VAL 4 HB VAL 4 8.703 1.134 1.595 17 1HG1 VAL 4 HG11 VAL 4 11.063 1.856 2.617 18 2HG1 VAL 4 HG12 VAL 4 11.458 1.960 0.902 19 3HG1 VAL 4 HG13 VAL 4 10.865 0.444 1.580 20 1HG2 VAL 4 HG21 VAL 4 7.906 3.242 2.210 21 2HG2 VAL 4 HG22 VAL 4 9.378 4.055 1.680 22 3HG2 VAL 4 HG23 VAL 4 9.392 3.073 3.143 23 H THR 5 HN THR 5 10.521 0.052 -0.321 24 HA THR 5 HA THR 5 9.101 -1.087 -2.512 25 HB THR 5 HB THR 5 11.314 -1.772 -2.431 26 HG1 THR 5 HG1 THR 5 11.231 -3.990 -2.090 27 1HG2 THR 5 HG21 THR 5 10.935 -2.226 0.503 28 2HG2 THR 5 HG22 THR 5 12.106 -1.192 -0.316 29 3HG2 THR 5 HG23 THR 5 12.276 -2.945 -0.389 30 H ILE 6 HN ILE 6 7.411 -2.177 -2.589 31 HA ILE 6 HA ILE 6 5.686 -2.771 -0.483 32 HB ILE 6 HB ILE 6 4.395 -2.905 -2.333 33 1HG1 ILE 6 HG12 ILE 6 4.377 -5.259 -3.432 34 2HG1 ILE 6 HG11 ILE 6 5.517 -5.680 -2.172 35 1HG2 ILE 6 HG21 ILE 6 6.020 -2.227 -3.900 36 2HG2 ILE 6 HG22 ILE 6 5.265 -3.667 -4.574 37 3HG2 ILE 6 HG23 ILE 6 6.848 -3.772 -3.816 38 1HD1 ILE 6 HD11 ILE 6 3.270 -4.335 -1.030 39 2HD1 ILE 6 HD12 ILE 6 3.872 -5.961 -0.726 40 3HD1 ILE 6 HD13 ILE 6 2.731 -5.674 -2.035 41 H LYS 7 HN LYS 7 5.006 -4.704 0.336 42 HA LYS 7 HA LYS 7 5.086 -6.936 0.940 43 1HB LYS 7 HB2 LYS 7 6.459 -7.467 -1.077 44 2HB LYS 7 HB1 LYS 7 7.903 -7.064 -0.161 45 1HG LYS 7 HG2 LYS 7 6.153 -9.005 1.151 46 2HG LYS 7 HG1 LYS 7 6.826 -9.550 -0.388 47 1HD LYS 7 HD2 LYS 7 8.958 -9.585 0.402 48 2HD LYS 7 HD1 LYS 7 8.688 -8.229 1.499 49 1HE LYS 7 HE2 LYS 7 7.141 -10.601 2.198 50 2HE LYS 7 HE1 LYS 7 8.884 -10.878 2.218 51 1HZ LYS 7 HZ1 LYS 7 7.604 -8.590 3.603 52 2HZ LYS 7 HZ2 LYS 7 9.185 -9.162 3.787 53 3HZ LYS 7 HZ3 LYS 7 7.885 -10.081 4.355 54 H THR 8 HN THR 8 8.538 -6.039 1.344 55 HA THR 8 HA THR 8 8.713 -6.826 3.996 56 HB THR 8 HB THR 8 10.144 -4.331 3.158 57 HG1 THR 8 HG1 THR 8 10.649 -5.279 1.352 58 1HG2 THR 8 HG21 THR 8 11.392 -4.894 4.891 59 2HG2 THR 8 HG22 THR 8 11.942 -6.293 3.968 60 3HG2 THR 8 HG23 THR 8 10.563 -6.442 5.057 61 H LEU 9 HN LEU 9 7.985 -3.665 2.650 62 HA LEU 9 HA LEU 9 7.186 -2.491 5.121 63 1HB LEU 9 HB2 LEU 9 7.380 -1.656 2.314 64 2HB LEU 9 HB1 LEU 9 6.061 -0.911 3.203 65 HG LEU 9 HG LEU 9 8.085 -0.607 4.981 66 1HD1 LEU 9 HD11 LEU 9 9.994 0.299 3.590 67 2HD1 LEU 9 HD12 LEU 9 9.299 -0.592 2.236 68 3HD1 LEU 9 HD13 LEU 9 9.840 -1.456 3.674 69 1HD2 LEU 9 HD21 LEU 9 7.172 1.189 2.753 70 2HD2 LEU 9 HD22 LEU 9 8.283 1.719 4.016 71 3HD2 LEU 9 HD23 LEU 9 6.659 1.183 4.439 72 H ALA 10 HN ALA 10 5.501 -3.840 2.297 73 HA ALA 10 HA ALA 10 2.892 -3.301 2.834 74 1HB ALA 10 HB1 ALA 10 4.166 -5.737 1.715 75 2HB ALA 10 HB2 ALA 10 3.249 -4.485 0.889 76 3HB ALA 10 HB3 ALA 10 2.427 -5.651 1.918 77 H ALA 11 HN ALA 11 4.563 -6.247 3.937 78 HA ALA 11 HA ALA 11 2.561 -7.090 5.720 79 1HB ALA 11 HB1 ALA 11 4.748 -8.272 4.783 80 2HB ALA 11 HB2 ALA 11 3.986 -8.781 6.291 81 3HB ALA 11 HB3 ALA 11 5.400 -7.726 6.329 82 H GLU 12 HN GLU 12 5.546 -5.270 6.210 83 HA GLU 12 HA GLU 12 5.928 -4.856 8.755 84 1HB GLU 12 HB2 GLU 12 6.766 -3.496 6.699 85 2HB GLU 12 HB1 GLU 12 5.524 -2.347 7.178 86 1HG GLU 12 HG2 GLU 12 7.001 -3.079 9.490 87 2HG GLU 12 HG1 GLU 12 8.140 -2.665 8.209 88 H ARG 13 HN ARG 13 3.336 -2.874 7.162 89 HA ARG 13 HA ARG 13 2.425 -1.914 9.658 90 1HB ARG 13 HB2 ARG 13 1.591 -1.717 6.873 91 2HB ARG 13 HB1 ARG 13 0.272 -1.649 8.019 92 1HG ARG 13 HG2 ARG 13 1.202 0.570 7.360 93 2HG ARG 13 HG1 ARG 13 1.175 0.264 9.095 94 1HD ARG 13 HD2 ARG 13 3.622 -0.610 8.627 95 2HD ARG 13 HD1 ARG 13 3.487 0.450 7.227 96 HE ARG 13 HE ARG 13 2.697 1.773 9.618 97 1HH1 ARG 13 HH11 ARG 13 5.493 0.745 7.800 98 2HH1 ARG 13 HH12 ARG 13 6.525 1.973 8.454 99 1HH2 ARG 13 HH21 ARG 13 4.052 3.388 10.479 100 2HH2 ARG 13 HH22 ARG 13 5.707 3.473 9.975 101 H GLN 14 HN GLN 14 1.231 -4.346 7.510 102 HA GLN 14 HA GLN 14 0.135 -6.327 7.936 103 1HB GLN 14 HB2 GLN 14 1.227 -6.124 10.282 104 2HB GLN 14 HB1 GLN 14 -0.334 -5.498 10.792 105 1HG GLN 14 HG2 GLN 14 -1.420 -7.517 10.360 106 2HG GLN 14 HG1 GLN 14 -0.097 -8.117 9.360 107 1HE2 GLN 14 HE21 GLN 14 -1.567 -8.625 12.160 108 2HE2 GLN 14 HE22 GLN 14 -0.251 -9.188 13.127 109 H THR 15 HN THR 15 -1.489 -5.658 6.601 110 HA THR 15 HA THR 15 -3.733 -5.440 6.153 111 HB THR 15 HB THR 15 -4.247 -4.285 8.881 112 HG1 THR 15 HG1 THR 15 -4.209 -7.050 8.269 113 1HG2 THR 15 HG21 THR 15 -6.344 -4.358 8.197 114 2HG2 THR 15 HG22 THR 15 -6.218 -6.117 8.136 115 3HG2 THR 15 HG23 THR 15 -5.878 -5.157 6.695 116 H SER 16 HN SER 16 -1.468 -3.164 6.877 117 HA SER 16 HA SER 16 -3.249 -0.955 6.129 118 1HB SER 16 HB2 SER 16 -1.503 -1.035 8.239 119 2HB SER 16 HB1 SER 16 -0.568 -0.178 7.019 120 HG SER 16 HG SER 16 -2.721 0.653 8.450 121 H VAL 17 HN VAL 17 0.284 -0.725 5.688 122 HA VAL 17 HA VAL 17 -0.022 0.234 3.166 123 HB VAL 17 HB VAL 17 1.930 0.855 3.975 124 1HG1 VAL 17 HG11 VAL 17 3.657 -1.014 4.726 125 2HG1 VAL 17 HG12 VAL 17 2.177 -1.933 4.996 126 3HG1 VAL 17 HG13 VAL 17 2.424 -0.395 5.821 127 1HG2 VAL 17 HG21 VAL 17 2.678 -1.464 2.182 128 2HG2 VAL 17 HG22 VAL 17 3.739 -0.120 2.605 129 3HG2 VAL 17 HG23 VAL 17 2.269 0.174 1.675 130 H GLU 18 HN GLU 18 0.733 -3.225 3.899 131 HA GLU 18 HA GLU 18 1.000 -4.105 1.280 132 1HB GLU 18 HB2 GLU 18 1.132 -5.552 3.338 133 2HB GLU 18 HB1 GLU 18 -0.619 -5.528 3.415 134 1HG GLU 18 HG2 GLU 18 -0.830 -7.071 1.821 135 2HG GLU 18 HG1 GLU 18 0.423 -6.341 0.816 136 H ARG 19 HN ARG 19 -2.030 -3.703 3.105 137 HA ARG 19 HA ARG 19 -3.847 -4.441 1.179 138 1HB ARG 19 HB2 ARG 19 -3.957 -2.426 3.385 139 2HB ARG 19 HB1 ARG 19 -5.305 -2.562 2.265 140 1HG ARG 19 HG2 ARG 19 -4.218 -4.899 3.808 141 2HG ARG 19 HG1 ARG 19 -5.511 -3.858 4.408 142 1HD ARG 19 HD2 ARG 19 -6.654 -4.367 2.148 143 2HD ARG 19 HD1 ARG 19 -5.517 -5.711 2.054 144 HE ARG 19 HE ARG 19 -6.718 -6.802 3.671 145 1HH1 ARG 19 HH11 ARG 19 -7.699 -3.454 3.594 146 2HH1 ARG 19 HH12 ARG 19 -9.032 -3.690 4.674 147 1HH2 ARG 19 HH21 ARG 19 -8.470 -7.113 5.094 148 2HH2 ARG 19 HH22 ARG 19 -9.470 -5.767 5.527 149 H LEU 20 HN LEU 20 -2.300 -1.427 1.696 150 HA LEU 20 HA LEU 20 -3.535 0.069 -0.336 151 1HB LEU 20 HB2 LEU 20 -0.754 0.786 0.263 152 2HB LEU 20 HB1 LEU 20 -2.195 1.779 0.235 153 HG LEU 20 HG LEU 20 -1.393 -0.058 2.468 154 1HD1 LEU 20 HD11 LEU 20 0.097 1.817 2.315 155 2HD1 LEU 20 HD12 LEU 20 -1.003 2.071 3.672 156 3HD1 LEU 20 HD13 LEU 20 -1.262 2.919 2.149 157 1HD2 LEU 20 HD21 LEU 20 -3.704 1.843 2.141 158 2HD2 LEU 20 HD22 LEU 20 -3.195 1.180 3.693 159 3HD2 LEU 20 HD23 LEU 20 -3.773 0.104 2.421 160 H VAL 21 HN VAL 21 -0.481 -1.703 -0.350 161 HA VAL 21 HA VAL 21 0.447 -0.942 -2.763 162 HB VAL 21 HB VAL 21 1.711 -3.027 -2.851 163 1HG1 VAL 21 HG11 VAL 21 2.983 -2.577 -1.027 164 2HG1 VAL 21 HG12 VAL 21 1.598 -2.495 0.058 165 3HG1 VAL 21 HG13 VAL 21 1.963 -1.143 -1.012 166 1HG2 VAL 21 HG21 VAL 21 -0.457 -4.298 -1.873 167 2HG2 VAL 21 HG22 VAL 21 0.529 -4.163 -0.427 168 3HG2 VAL 21 HG23 VAL 21 1.164 -4.961 -1.847 169 H GLN 22 HN GLN 22 -1.953 -3.527 -2.225 170 HA GLN 22 HA GLN 22 -2.140 -4.116 -5.002 171 1HB GLN 22 HB2 GLN 22 -3.659 -4.854 -2.574 172 2HB GLN 22 HB1 GLN 22 -4.513 -4.996 -4.106 173 1HG GLN 22 HG2 GLN 22 -3.053 -6.615 -4.913 174 2HG GLN 22 HG1 GLN 22 -1.804 -6.210 -3.735 175 1HE2 GLN 22 HE21 GLN 22 -4.665 -8.014 -4.367 176 2HE2 GLN 22 HE22 GLN 22 -4.699 -8.898 -2.883 177 H GLN 23 HN GLN 23 -4.597 -2.527 -2.963 178 HA GLN 23 HA GLN 23 -6.253 -1.707 -5.001 179 1HB GLN 23 HB2 GLN 23 -5.699 -0.771 -2.257 180 2HB GLN 23 HB1 GLN 23 -6.487 0.397 -3.305 181 1HG GLN 23 HG2 GLN 23 -8.389 -0.572 -2.700 182 2HG GLN 23 HG1 GLN 23 -7.922 -1.888 -3.775 183 1HE2 GLN 23 HE21 GLN 23 -8.681 -1.007 -0.622 184 2HE2 GLN 23 HE22 GLN 23 -8.229 -2.474 0.170 185 H PHE 24 HN PHE 24 -3.654 0.233 -3.555 186 HA PHE 24 HA PHE 24 -3.846 2.421 -5.158 187 1HB PHE 24 HB2 PHE 24 -1.741 1.354 -3.425 188 2HB PHE 24 HB1 PHE 24 -1.209 2.508 -4.650 189 HD1 PHE 24 HD1 PHE 24 -2.390 2.277 -1.419 190 HD2 PHE 24 HD2 PHE 24 -2.963 4.490 -4.991 191 HE1 PHE 24 HE1 PHE 24 -3.466 4.075 -0.139 192 HE2 PHE 24 HE2 PHE 24 -4.040 6.291 -3.722 193 HZ PHE 24 HZ PHE 24 -4.318 6.058 -1.299 194 H ALA 25 HN ALA 25 -1.946 -0.497 -5.877 195 HA ALA 25 HA ALA 25 -0.623 0.375 -8.131 196 1HB ALA 25 HB1 ALA 25 -2.087 -2.225 -8.331 197 2HB ALA 25 HB2 ALA 25 -0.870 -2.046 -7.067 198 3HB ALA 25 HB3 ALA 25 -0.421 -1.840 -8.760 199 H ASP 26 HN ASP 26 -3.971 -0.707 -7.754 200 HA ASP 26 HA ASP 26 -4.796 -0.115 -10.414 201 1HB ASP 26 HB2 ASP 26 -5.980 -1.469 -8.459 202 2HB ASP 26 HB1 ASP 26 -6.711 0.098 -8.126 203 H ALA 27 HN ALA 27 -5.009 1.689 -7.341 204 HA ALA 27 HA ALA 27 -6.339 3.964 -7.909 205 1HB ALA 27 HB1 ALA 27 -5.558 3.995 -5.799 206 2HB ALA 27 HB2 ALA 27 -4.464 5.151 -6.545 207 3HB ALA 27 HB3 ALA 27 -3.938 3.498 -6.270 208 H GLY 28 HN GLY 28 -2.841 4.016 -8.042 209 1HA GLY 28 HA2 GLY 28 -2.174 4.755 -10.581 210 2HA GLY 28 HA1 GLY 28 -2.686 6.267 -9.829 211 H ILE 29 HN ILE 29 -1.239 3.570 -8.255 212 HA ILE 29 HA ILE 29 1.216 5.040 -7.609 213 HB ILE 29 HB ILE 29 -0.642 3.429 -5.868 214 1HG1 ILE 29 HG12 ILE 29 -0.413 5.413 -4.381 215 2HG1 ILE 29 HG11 ILE 29 0.601 6.165 -5.607 216 1HG2 ILE 29 HG21 ILE 29 2.220 4.101 -5.233 217 2HG2 ILE 29 HG22 ILE 29 1.490 2.496 -5.320 218 3HG2 ILE 29 HG23 ILE 29 1.026 3.607 -4.035 219 1HD1 ILE 29 HD11 ILE 29 -1.150 6.751 -6.861 220 2HD1 ILE 29 HD12 ILE 29 -2.073 6.507 -5.378 221 3HD1 ILE 29 HD13 ILE 29 -1.989 5.225 -6.588 222 H ARG 30 HN ARG 30 2.813 3.112 -6.594 223 HA ARG 30 HA ARG 30 3.167 1.405 -8.868 224 1HB ARG 30 HB2 ARG 30 4.705 1.419 -6.267 225 2HB ARG 30 HB1 ARG 30 5.205 0.670 -7.777 226 1HG ARG 30 HG2 ARG 30 5.884 2.615 -8.679 227 2HG ARG 30 HG1 ARG 30 4.592 3.545 -7.917 228 1HD ARG 30 HD2 ARG 30 5.783 3.865 -5.977 229 2HD ARG 30 HD1 ARG 30 6.759 2.414 -6.211 230 HE ARG 30 HE ARG 30 7.584 3.967 -8.232 231 1HH1 ARG 30 HH11 ARG 30 7.167 4.631 -4.831 232 2HH1 ARG 30 HH12 ARG 30 8.424 5.820 -4.782 233 1HH2 ARG 30 HH21 ARG 30 9.236 5.532 -8.169 234 2HH2 ARG 30 HH22 ARG 30 9.599 6.332 -6.676 235 H LYS 31 HN LYS 31 3.418 -0.923 -8.689 236 HA LYS 31 HA LYS 31 1.132 -2.027 -7.373 237 1HB LYS 31 HB2 LYS 31 2.112 -2.468 -9.764 238 2HB LYS 31 HB1 LYS 31 3.016 -3.721 -8.926 239 1HG LYS 31 HG2 LYS 31 1.241 -5.053 -8.802 240 2HG LYS 31 HG1 LYS 31 0.205 -3.750 -8.219 241 1HD LYS 31 HD2 LYS 31 -0.827 -3.999 -10.204 242 2HD LYS 31 HD1 LYS 31 0.520 -3.038 -10.817 243 1HE LYS 31 HE2 LYS 31 1.621 -4.894 -11.672 244 2HE LYS 31 HE1 LYS 31 0.753 -6.014 -10.623 245 1HZ LYS 31 HZ1 LYS 31 -0.816 -4.494 -12.562 246 2HZ LYS 31 HZ2 LYS 31 -1.024 -6.079 -12.007 247 3HZ LYS 31 HZ3 LYS 31 0.162 -5.738 -13.163 248 H SER 32 HN SER 32 1.069 -4.102 -6.459 249 HA SER 32 HA SER 32 2.935 -4.383 -4.262 250 1HB SER 32 HB2 SER 32 1.221 -5.869 -3.341 251 2HB SER 32 HB1 SER 32 0.514 -4.339 -3.858 252 HG SER 32 HG SER 32 0.465 -6.799 -5.266 253 H ALA 33 HN ALA 33 3.143 -6.717 -3.464 254 HA ALA 33 HA ALA 33 3.619 -8.957 -3.778 255 1HB ALA 33 HB1 ALA 33 4.136 -8.608 -6.697 256 2HB ALA 33 HB2 ALA 33 2.475 -8.666 -6.107 257 3HB ALA 33 HB3 ALA 33 3.562 -10.024 -5.815 258 H ASP 34 HN ASP 34 5.386 -7.318 -2.703 259 HA ASP 34 HA ASP 34 7.624 -6.863 -2.439 260 1HB ASP 34 HB2 ASP 34 7.646 -9.332 -2.239 261 2HB ASP 34 HB1 ASP 34 7.938 -9.454 -3.972 262 H ASP 35 HN ASP 35 7.980 -5.046 -3.582 263 HA ASP 35 HA ASP 35 9.787 -4.997 -5.688 264 1HB ASP 35 HB2 ASP 35 7.816 -5.978 -6.964 265 2HB ASP 35 HB1 ASP 35 7.000 -4.437 -6.737 266 H SER 36 HN SER 36 7.570 -2.651 -6.667 267 HA SER 36 HA SER 36 8.509 -0.833 -4.547 268 1HB SER 36 HB2 SER 36 8.363 -0.333 -7.525 269 2HB SER 36 HB1 SER 36 8.449 0.984 -6.356 270 HG SER 36 HG SER 36 10.440 0.259 -5.699 271 H VAL 37 HN VAL 37 7.003 0.130 -3.460 272 HA VAL 37 HA VAL 37 4.432 0.832 -4.624 273 HB VAL 37 HB VAL 37 4.505 -1.497 -3.399 274 1HG1 VAL 37 HG11 VAL 37 3.565 0.043 -1.058 275 2HG1 VAL 37 HG12 VAL 37 5.309 -0.065 -1.292 276 3HG1 VAL 37 HG13 VAL 37 4.351 -1.529 -1.131 277 1HG2 VAL 37 HG21 VAL 37 2.280 -1.402 -3.622 278 2HG2 VAL 37 HG22 VAL 37 2.570 0.219 -4.245 279 3HG2 VAL 37 HG23 VAL 37 2.141 -0.009 -2.551 280 H SER 38 HN SER 38 3.033 1.897 -2.731 281 HA SER 38 HA SER 38 4.825 3.828 -1.436 282 1HB SER 38 HB2 SER 38 3.128 4.692 -3.099 283 2HB SER 38 HB1 SER 38 1.869 4.163 -1.982 284 HG SER 38 HG SER 38 3.208 6.433 -1.946 285 H ALA 39 HN ALA 39 4.987 3.683 0.751 286 HA ALA 39 HA ALA 39 3.187 1.957 2.211 287 1HB ALA 39 HB1 ALA 39 5.117 1.435 3.195 288 2HB ALA 39 HB2 ALA 39 5.018 2.994 4.015 289 3HB ALA 39 HB3 ALA 39 5.928 2.844 2.512 290 H GLN 40 HN GLN 40 2.326 2.676 4.307 291 HA GLN 40 HA GLN 40 0.908 4.049 5.439 292 1HB GLN 40 HB2 GLN 40 3.429 5.292 5.344 293 2HB GLN 40 HB1 GLN 40 2.270 6.565 4.987 294 1HG GLN 40 HG2 GLN 40 1.028 5.556 7.077 295 2HG GLN 40 HG1 GLN 40 2.647 4.978 7.468 296 1HE2 GLN 40 HE21 GLN 40 3.743 6.276 8.736 297 2HE2 GLN 40 HE22 GLN 40 3.599 7.996 8.815 298 H GLU 41 HN GLU 41 0.778 3.800 2.425 299 HA GLU 41 HA GLU 41 -0.223 6.194 1.358 300 1HB GLU 41 HB2 GLU 41 0.135 3.519 0.498 301 2HB GLU 41 HB1 GLU 41 -1.551 3.921 0.224 302 1HG GLU 41 HG2 GLU 41 0.833 5.447 -0.796 303 2HG GLU 41 HG1 GLU 41 -0.211 4.386 -1.741 304 H LYS 42 HN LYS 42 -1.401 3.909 3.597 305 HA LYS 42 HA LYS 42 -3.537 3.454 4.421 306 1HB LYS 42 HB2 LYS 42 -2.404 5.942 5.201 307 2HB LYS 42 HB1 LYS 42 -4.152 6.130 5.159 308 1HG LYS 42 HG2 LYS 42 -4.478 4.767 6.922 309 2HG LYS 42 HG1 LYS 42 -3.161 3.685 6.465 310 1HD LYS 42 HD2 LYS 42 -1.530 5.108 7.411 311 2HD LYS 42 HD1 LYS 42 -2.675 6.443 7.561 312 1HE LYS 42 HE2 LYS 42 -3.900 5.260 9.268 313 2HE LYS 42 HE1 LYS 42 -2.887 3.832 9.055 314 1HZ LYS 42 HZ1 LYS 42 -0.972 5.345 9.687 315 2HZ LYS 42 HZ2 LYS 42 -2.040 4.914 10.927 316 3HZ LYS 42 HZ3 LYS 42 -2.142 6.447 10.219 317 H GLN 43 HN GLN 43 -3.920 6.597 2.774 318 HA GLN 43 HA GLN 43 -6.570 6.793 2.444 319 1HB GLN 43 HB2 GLN 43 -4.279 7.539 0.713 320 2HB GLN 43 HB1 GLN 43 -5.888 7.658 0.013 321 1HG GLN 43 HG2 GLN 43 -6.381 9.489 1.176 322 2HG GLN 43 HG1 GLN 43 -5.724 8.826 2.671 323 1HE2 GLN 43 HE21 GLN 43 -3.130 8.452 2.137 324 2HE2 GLN 43 HE22 GLN 43 -2.354 9.947 1.754 325 H THR 44 HN THR 44 -4.698 4.249 1.032 326 HA THR 44 HA THR 44 -6.035 3.580 -1.243 327 HB THR 44 HB THR 44 -4.128 2.378 0.276 328 HG1 THR 44 HG1 THR 44 -5.654 1.431 -1.894 329 1HG2 THR 44 HG21 THR 44 -6.518 0.546 0.433 330 2HG2 THR 44 HG22 THR 44 -5.670 1.280 1.792 331 3HG2 THR 44 HG23 THR 44 -4.851 0.096 0.782 332 H LEU 45 HN LEU 45 -6.974 2.653 2.066 333 HA LEU 45 HA LEU 45 -9.256 1.190 1.354 334 1HB LEU 45 HB2 LEU 45 -8.690 2.696 3.906 335 2HB LEU 45 HB1 LEU 45 -9.939 1.482 3.702 336 HG LEU 45 HG LEU 45 -6.958 1.033 3.565 337 1HD1 LEU 45 HD11 LEU 45 -7.849 -0.628 5.457 338 2HD1 LEU 45 HD12 LEU 45 -9.037 0.663 5.632 339 3HD1 LEU 45 HD13 LEU 45 -7.317 1.018 5.797 340 1HD2 LEU 45 HD21 LEU 45 -8.130 -0.360 1.932 341 2HD2 LEU 45 HD22 LEU 45 -9.211 -0.938 3.199 342 3HD2 LEU 45 HD23 LEU 45 -7.492 -1.325 3.262 343 H ILE 46 HN ILE 46 -9.060 4.535 2.599 344 HA ILE 46 HA ILE 46 -11.806 5.068 2.289 345 HB ILE 46 HB ILE 46 -10.137 6.342 3.707 346 1HG1 ILE 46 HG12 ILE 46 -11.542 8.499 2.369 347 2HG1 ILE 46 HG11 ILE 46 -12.570 7.083 2.562 348 1HG2 ILE 46 HG21 ILE 46 -9.654 7.874 1.164 349 2HG2 ILE 46 HG22 ILE 46 -8.499 6.771 1.914 350 3HG2 ILE 46 HG23 ILE 46 -8.999 8.233 2.762 351 1HD1 ILE 46 HD11 ILE 46 -12.795 7.425 4.746 352 2HD1 ILE 46 HD12 ILE 46 -12.136 9.031 4.437 353 3HD1 ILE 46 HD13 ILE 46 -11.072 7.728 4.967 354 H ASP 47 HN ASP 47 -9.059 5.966 0.216 355 HA ASP 47 HA ASP 47 -10.512 7.368 -1.712 356 1HB ASP 47 HB2 ASP 47 -7.887 6.889 -1.321 357 2HB ASP 47 HB1 ASP 47 -8.190 5.804 -2.675 358 H HIS 48 HN HIS 48 -9.131 4.129 -2.249 359 HA HIS 48 HA HIS 48 -10.511 3.485 -4.529 360 1HB HIS 48 HB2 HIS 48 -9.591 1.660 -2.304 361 2HB HIS 48 HB1 HIS 48 -10.142 1.092 -3.876 362 HD1 HIS 48 HD1 HIS 48 -7.411 3.274 -2.400 363 HD2 HIS 48 HD2 HIS 48 -8.183 0.975 -5.773 364 HE1 HIS 48 HE1 HIS 48 -5.262 3.264 -3.727 365 HE2 HIS 48 HE2 HIS 48 -5.831 2.019 -5.826 366 H LEU 49 HN LEU 49 -11.510 2.732 -1.190 367 HA LEU 49 HA LEU 49 -13.854 1.367 -1.766 368 1HB LEU 49 HB2 LEU 49 -12.862 1.565 0.480 369 2HB LEU 49 HB1 LEU 49 -13.365 3.243 0.546 370 HG LEU 49 HG LEU 49 -15.705 1.814 -0.019 371 1HD1 LEU 49 HD11 LEU 49 -15.771 -0.097 1.162 372 2HD1 LEU 49 HD12 LEU 49 -14.722 0.528 2.434 373 3HD1 LEU 49 HD13 LEU 49 -14.022 -0.073 0.931 374 1HD2 LEU 49 HD21 LEU 49 -14.555 3.354 2.223 375 2HD2 LEU 49 HD22 LEU 49 -15.943 2.332 2.600 376 3HD2 LEU 49 HD23 LEU 49 -16.074 3.572 1.353 377 H ASN 50 HN ASN 50 -13.792 4.770 -0.697 378 HA ASN 50 HA ASN 50 -16.409 5.351 -1.486 379 1HB ASN 50 HB2 ASN 50 -13.998 7.086 -0.994 380 2HB ASN 50 HB1 ASN 50 -15.546 7.777 -1.471 381 1HD2 ASN 50 HD21 ASN 50 -15.201 8.847 0.651 382 2HD2 ASN 50 HD22 ASN 50 -15.803 8.046 2.059 Start of MODEL 8 1 1H THR 2 HT1 THR 2 6.236 9.070 2.845 2 2H THR 2 HT2 THR 2 6.472 7.389 3.100 3 3H THR 2 HT3 THR 2 5.226 7.934 2.052 4 HA THR 2 HA THR 2 6.870 8.876 0.591 5 HB THR 2 HB THR 2 8.580 9.267 2.305 6 HG1 THR 2 HG1 THR 2 9.212 8.976 0.089 7 1HG2 THR 2 HG21 THR 2 8.684 6.279 2.442 8 2HG2 THR 2 HG22 THR 2 8.537 7.448 3.755 9 3HG2 THR 2 HG23 THR 2 10.064 7.281 2.890 10 H ASP 3 HN ASP 3 8.368 7.380 -0.819 11 HA ASP 3 HA ASP 3 6.871 4.902 -1.175 12 1HB ASP 3 HB2 ASP 3 8.741 6.474 -2.934 13 2HB ASP 3 HB1 ASP 3 8.267 4.827 -3.342 14 H VAL 4 HN VAL 4 7.629 2.996 -0.567 15 HA VAL 4 HA VAL 4 10.515 2.540 -0.458 16 HB VAL 4 HB VAL 4 9.693 3.235 1.832 17 1HG1 VAL 4 HG11 VAL 4 8.362 1.749 3.135 18 2HG1 VAL 4 HG12 VAL 4 8.360 0.535 1.856 19 3HG1 VAL 4 HG13 VAL 4 7.496 2.056 1.630 20 1HG2 VAL 4 HG21 VAL 4 11.232 1.908 2.848 21 2HG2 VAL 4 HG22 VAL 4 11.633 1.544 1.170 22 3HG2 VAL 4 HG23 VAL 4 10.624 0.434 2.097 23 H THR 5 HN THR 5 10.909 0.093 -0.006 24 HA THR 5 HA THR 5 9.363 -1.339 -1.933 25 HB THR 5 HB THR 5 10.863 -3.160 -1.562 26 HG1 THR 5 HG1 THR 5 11.662 -1.859 0.825 27 1HG2 THR 5 HG21 THR 5 13.141 -1.874 -1.195 28 2HG2 THR 5 HG22 THR 5 12.106 -0.477 -1.493 29 3HG2 THR 5 HG23 THR 5 12.227 -1.758 -2.698 30 H ILE 6 HN ILE 6 7.566 -2.444 -1.627 31 HA ILE 6 HA ILE 6 6.615 -2.815 1.091 32 HB ILE 6 HB ILE 6 4.466 -3.486 0.054 33 1HG1 ILE 6 HG12 ILE 6 4.152 -2.957 -2.351 34 2HG1 ILE 6 HG11 ILE 6 5.888 -2.724 -2.506 35 1HG2 ILE 6 HG21 ILE 6 5.600 -0.808 -0.717 36 2HG2 ILE 6 HG22 ILE 6 4.821 -1.231 0.807 37 3HG2 ILE 6 HG23 ILE 6 3.883 -1.212 -0.687 38 1HD1 ILE 6 HD11 ILE 6 4.714 -5.301 -1.534 39 2HD1 ILE 6 HD12 ILE 6 6.320 -4.995 -2.191 40 3HD1 ILE 6 HD13 ILE 6 4.914 -4.943 -3.246 41 H LYS 7 HN LYS 7 5.029 -4.754 1.152 42 HA LYS 7 HA LYS 7 4.632 -7.053 0.999 43 1HB LYS 7 HB2 LYS 7 6.641 -7.022 -0.783 44 2HB LYS 7 HB1 LYS 7 7.465 -7.803 0.556 45 1HG LYS 7 HG2 LYS 7 4.817 -8.735 -0.517 46 2HG LYS 7 HG1 LYS 7 6.365 -9.338 -1.103 47 1HD LYS 7 HD2 LYS 7 6.675 -10.631 0.706 48 2HD LYS 7 HD1 LYS 7 6.114 -9.375 1.810 49 1HE LYS 7 HE2 LYS 7 4.235 -10.961 0.080 50 2HE LYS 7 HE1 LYS 7 4.729 -11.507 1.682 51 1HZ LYS 7 HZ1 LYS 7 2.612 -9.939 1.205 52 2HZ LYS 7 HZ2 LYS 7 3.785 -8.775 1.565 53 3HZ LYS 7 HZ3 LYS 7 3.435 -9.995 2.683 54 H THR 8 HN THR 8 8.059 -6.793 2.046 55 HA THR 8 HA THR 8 7.511 -7.985 4.581 56 HB THR 8 HB THR 8 9.757 -7.206 5.218 57 HG1 THR 8 HG1 THR 8 9.738 -5.783 2.766 58 1HG2 THR 8 HG21 THR 8 9.883 -9.159 3.900 59 2HG2 THR 8 HG22 THR 8 11.116 -8.054 3.289 60 3HG2 THR 8 HG23 THR 8 9.600 -8.256 2.412 61 H LEU 9 HN LEU 9 7.754 -4.813 3.233 62 HA LEU 9 HA LEU 9 7.174 -3.285 5.567 63 1HB LEU 9 HB2 LEU 9 8.167 -2.701 3.097 64 2HB LEU 9 HB1 LEU 9 6.510 -2.151 2.927 65 HG LEU 9 HG LEU 9 7.851 -0.287 3.600 66 1HD1 LEU 9 HD11 LEU 9 6.607 0.487 5.397 67 2HD1 LEU 9 HD12 LEU 9 6.519 -1.105 6.150 68 3HD1 LEU 9 HD13 LEU 9 5.571 -0.761 4.703 69 1HD2 LEU 9 HD21 LEU 9 8.717 -1.899 5.994 70 2HD2 LEU 9 HD22 LEU 9 9.226 -0.265 5.569 71 3HD2 LEU 9 HD23 LEU 9 9.706 -1.628 4.559 72 H ALA 10 HN ALA 10 5.408 -4.527 2.792 73 HA ALA 10 HA ALA 10 2.942 -3.433 2.974 74 1HB ALA 10 HB1 ALA 10 3.182 -4.931 1.230 75 2HB ALA 10 HB2 ALA 10 2.088 -5.783 2.316 76 3HB ALA 10 HB3 ALA 10 3.789 -6.199 2.286 77 H ALA 11 HN ALA 11 4.094 -6.287 4.736 78 HA ALA 11 HA ALA 11 1.772 -6.602 6.341 79 1HB ALA 11 HB1 ALA 11 4.556 -7.688 6.406 80 2HB ALA 11 HB2 ALA 11 3.021 -8.542 6.248 81 3HB ALA 11 HB3 ALA 11 3.513 -7.896 7.813 82 H GLU 12 HN GLU 12 4.957 -5.177 6.869 83 HA GLU 12 HA GLU 12 5.170 -4.415 9.359 84 1HB GLU 12 HB2 GLU 12 6.464 -3.585 7.287 85 2HB GLU 12 HB1 GLU 12 5.365 -2.213 7.336 86 1HG GLU 12 HG2 GLU 12 6.168 -1.497 9.412 87 2HG GLU 12 HG1 GLU 12 6.952 -3.042 9.738 88 H ARG 13 HN ARG 13 3.121 -2.332 7.184 89 HA ARG 13 HA ARG 13 2.193 -0.837 9.388 90 1HB ARG 13 HB2 ARG 13 2.030 -0.485 6.733 91 2HB ARG 13 HB1 ARG 13 0.396 -1.029 7.070 92 1HG ARG 13 HG2 ARG 13 0.661 1.433 7.086 93 2HG ARG 13 HG1 ARG 13 0.055 0.780 8.610 94 1HD ARG 13 HD2 ARG 13 1.795 1.605 9.730 95 2HD ARG 13 HD1 ARG 13 2.935 0.870 8.607 96 HE ARG 13 HE ARG 13 3.064 2.868 7.447 97 1HH1 ARG 13 HH11 ARG 13 0.578 3.062 9.895 98 2HH1 ARG 13 HH12 ARG 13 0.434 4.784 9.784 99 1HH2 ARG 13 HH21 ARG 13 2.867 5.128 7.301 100 2HH2 ARG 13 HH22 ARG 13 1.726 5.955 8.310 101 H GLN 14 HN GLN 14 0.781 -3.463 7.638 102 HA GLN 14 HA GLN 14 -0.598 -5.165 8.351 103 1HB GLN 14 HB2 GLN 14 0.329 -4.267 10.761 104 2HB GLN 14 HB1 GLN 14 -1.394 -3.947 10.916 105 1HG GLN 14 HG2 GLN 14 -1.950 -6.207 10.684 106 2HG GLN 14 HG1 GLN 14 -0.364 -6.620 10.034 107 1HE2 GLN 14 HE21 GLN 14 -2.047 -7.451 12.450 108 2HE2 GLN 14 HE22 GLN 14 -0.925 -7.392 13.762 109 H THR 15 HN THR 15 -2.305 -4.984 7.066 110 HA THR 15 HA THR 15 -4.384 -4.430 6.323 111 HB THR 15 HB THR 15 -4.807 -2.900 8.888 112 HG1 THR 15 HG1 THR 15 -5.222 -5.675 8.494 113 1HG2 THR 15 HG21 THR 15 -7.074 -4.333 8.322 114 2HG2 THR 15 HG22 THR 15 -6.526 -3.802 6.732 115 3HG2 THR 15 HG23 THR 15 -6.823 -2.617 8.005 116 H SER 16 HN SER 16 -1.905 -2.536 6.388 117 HA SER 16 HA SER 16 -3.368 -0.198 5.384 118 1HB SER 16 HB2 SER 16 -1.279 -0.323 7.428 119 2HB SER 16 HB1 SER 16 -0.928 0.836 6.146 120 HG SER 16 HG SER 16 -2.387 1.340 8.143 121 H VAL 17 HN VAL 17 0.165 -0.406 5.271 122 HA VAL 17 HA VAL 17 0.232 0.136 2.614 123 HB VAL 17 HB VAL 17 2.142 0.591 3.850 124 1HG1 VAL 17 HG11 VAL 17 3.089 -2.165 4.234 125 2HG1 VAL 17 HG12 VAL 17 1.687 -1.723 5.204 126 3HG1 VAL 17 HG13 VAL 17 3.172 -0.777 5.310 127 1HG2 VAL 17 HG21 VAL 17 3.690 0.097 2.272 128 2HG2 VAL 17 HG22 VAL 17 2.272 -0.486 1.402 129 3HG2 VAL 17 HG23 VAL 17 3.306 -1.623 2.264 130 H GLU 18 HN GLU 18 0.482 -3.229 3.981 131 HA GLU 18 HA GLU 18 0.905 -4.532 1.562 132 1HB GLU 18 HB2 GLU 18 0.730 -5.713 3.739 133 2HB GLU 18 HB1 GLU 18 -0.999 -5.408 3.753 134 1HG GLU 18 HG2 GLU 18 -0.965 -6.659 1.478 135 2HG GLU 18 HG1 GLU 18 0.582 -7.279 2.055 136 H ARG 19 HN ARG 19 -2.232 -3.888 3.049 137 HA ARG 19 HA ARG 19 -3.874 -4.517 0.942 138 1HB ARG 19 HB2 ARG 19 -4.229 -2.434 3.081 139 2HB ARG 19 HB1 ARG 19 -5.504 -2.917 1.971 140 1HG ARG 19 HG2 ARG 19 -4.186 -5.101 3.443 141 2HG ARG 19 HG1 ARG 19 -5.161 -3.987 4.405 142 1HD ARG 19 HD2 ARG 19 -7.113 -4.593 3.378 143 2HD ARG 19 HD1 ARG 19 -6.312 -5.022 1.867 144 HE ARG 19 HE ARG 19 -6.806 -6.739 4.124 145 1HH1 ARG 19 HH11 ARG 19 -4.841 -6.224 1.286 146 2HH1 ARG 19 HH12 ARG 19 -4.413 -7.894 1.127 147 1HH2 ARG 19 HH21 ARG 19 -6.244 -8.934 3.916 148 2HH2 ARG 19 HH22 ARG 19 -5.211 -9.434 2.619 149 H LEU 20 HN LEU 20 -2.337 -1.506 1.729 150 HA LEU 20 HA LEU 20 -3.401 0.097 -0.235 151 1HB LEU 20 HB2 LEU 20 -1.893 1.665 0.354 152 2HB LEU 20 HB1 LEU 20 -1.710 0.598 1.723 153 HG LEU 20 HG LEU 20 0.383 -0.289 0.778 154 1HD1 LEU 20 HD11 LEU 20 1.095 1.536 -1.182 155 2HD1 LEU 20 HD12 LEU 20 -0.559 1.115 -1.606 156 3HD1 LEU 20 HD13 LEU 20 0.661 -0.149 -1.450 157 1HD2 LEU 20 HD21 LEU 20 0.764 2.623 0.589 158 2HD2 LEU 20 HD22 LEU 20 1.602 1.426 1.565 159 3HD2 LEU 20 HD23 LEU 20 0.016 2.017 2.060 160 H VAL 21 HN VAL 21 -0.584 -2.034 -0.500 161 HA VAL 21 HA VAL 21 0.230 -1.431 -3.035 162 HB VAL 21 HB VAL 21 0.039 -4.243 -1.957 163 1HG1 VAL 21 HG11 VAL 21 2.448 -3.850 -3.308 164 2HG1 VAL 21 HG12 VAL 21 1.219 -3.075 -4.307 165 3HG1 VAL 21 HG13 VAL 21 1.049 -4.772 -3.858 166 1HG2 VAL 21 HG21 VAL 21 1.654 -1.959 -1.065 167 2HG2 VAL 21 HG22 VAL 21 2.561 -3.442 -1.356 168 3HG2 VAL 21 HG23 VAL 21 1.215 -3.442 -0.220 169 H GLN 22 HN GLN 22 -2.307 -3.777 -2.127 170 HA GLN 22 HA GLN 22 -2.875 -4.517 -4.792 171 1HB GLN 22 HB2 GLN 22 -3.937 -5.086 -2.200 172 2HB GLN 22 HB1 GLN 22 -5.264 -4.791 -3.315 173 1HG GLN 22 HG2 GLN 22 -4.870 -6.667 -4.498 174 2HG GLN 22 HG1 GLN 22 -3.122 -6.561 -4.294 175 1HE2 GLN 22 HE21 GLN 22 -2.154 -7.647 -2.661 176 2HE2 GLN 22 HE22 GLN 22 -2.988 -8.694 -1.567 177 H GLN 23 HN GLN 23 -5.112 -2.624 -2.799 178 HA GLN 23 HA GLN 23 -6.760 -1.780 -4.821 179 1HB GLN 23 HB2 GLN 23 -6.243 -1.040 -2.091 180 2HB GLN 23 HB1 GLN 23 -6.551 0.402 -3.042 181 1HG GLN 23 HG2 GLN 23 -8.629 -0.290 -2.183 182 2HG GLN 23 HG1 GLN 23 -8.629 -0.727 -3.891 183 1HE2 GLN 23 HE21 GLN 23 -9.122 -1.806 -0.756 184 2HE2 GLN 23 HE22 GLN 23 -9.199 -3.503 -1.076 185 H PHE 24 HN PHE 24 -3.865 -0.183 -3.623 186 HA PHE 24 HA PHE 24 -3.903 2.056 -5.184 187 1HB PHE 24 HB2 PHE 24 -1.652 0.613 -3.860 188 2HB PHE 24 HB1 PHE 24 -1.367 2.060 -4.839 189 HD1 PHE 24 HD1 PHE 24 -3.866 0.889 -2.351 190 HD2 PHE 24 HD2 PHE 24 -1.382 4.064 -3.694 191 HE1 PHE 24 HE1 PHE 24 -4.795 2.319 -0.632 192 HE2 PHE 24 HE2 PHE 24 -2.316 5.511 -1.943 193 HZ PHE 24 HZ PHE 24 -4.073 4.641 -0.428 194 H ALA 25 HN ALA 25 -2.567 -1.108 -6.004 195 HA ALA 25 HA ALA 25 -1.350 -0.500 -8.396 196 1HB ALA 25 HB1 ALA 25 -1.961 -2.731 -9.169 197 2HB ALA 25 HB2 ALA 25 -3.243 -2.827 -7.965 198 3HB ALA 25 HB3 ALA 25 -1.559 -2.815 -7.454 199 H ASP 26 HN ASP 26 -4.750 -1.005 -7.615 200 HA ASP 26 HA ASP 26 -5.771 -0.275 -10.183 201 1HB ASP 26 HB2 ASP 26 -7.299 0.127 -7.619 202 2HB ASP 26 HB1 ASP 26 -7.908 -0.338 -9.204 203 H ALA 27 HN ALA 27 -5.345 1.488 -7.111 204 HA ALA 27 HA ALA 27 -6.340 3.967 -7.551 205 1HB ALA 27 HB1 ALA 27 -4.478 4.892 -6.222 206 2HB ALA 27 HB2 ALA 27 -3.691 3.321 -6.310 207 3HB ALA 27 HB3 ALA 27 -5.243 3.482 -5.503 208 H GLY 28 HN GLY 28 -2.883 3.439 -8.066 209 1HA GLY 28 HA2 GLY 28 -2.252 3.976 -10.566 210 2HA GLY 28 HA1 GLY 28 -2.819 5.568 -10.074 211 H ILE 29 HN ILE 29 -1.140 3.288 -8.033 212 HA ILE 29 HA ILE 29 1.246 5.009 -7.967 213 HB ILE 29 HB ILE 29 0.166 3.524 -5.566 214 1HG1 ILE 29 HG12 ILE 29 -0.417 5.959 -4.833 215 2HG1 ILE 29 HG11 ILE 29 -0.422 6.293 -6.562 216 1HG2 ILE 29 HG21 ILE 29 2.448 5.331 -6.094 217 2HG2 ILE 29 HG22 ILE 29 2.310 3.973 -4.976 218 3HG2 ILE 29 HG23 ILE 29 1.607 5.534 -4.556 219 1HD1 ILE 29 HD11 ILE 29 -2.306 5.078 -6.929 220 2HD1 ILE 29 HD12 ILE 29 -2.609 5.620 -5.279 221 3HD1 ILE 29 HD13 ILE 29 -2.003 3.990 -5.576 222 H ARG 30 HN ARG 30 3.087 3.586 -6.711 223 HA ARG 30 HA ARG 30 3.553 1.402 -8.458 224 1HB ARG 30 HB2 ARG 30 4.972 2.596 -6.120 225 2HB ARG 30 HB1 ARG 30 5.435 0.982 -6.638 226 1HG ARG 30 HG2 ARG 30 6.894 2.500 -7.711 227 2HG ARG 30 HG1 ARG 30 5.769 1.914 -8.938 228 1HD ARG 30 HD2 ARG 30 4.387 4.003 -8.384 229 2HD ARG 30 HD1 ARG 30 5.842 4.588 -7.578 230 HE ARG 30 HE ARG 30 6.633 3.803 -10.099 231 1HH1 ARG 30 HH11 ARG 30 4.406 6.123 -8.746 232 2HH1 ARG 30 HH12 ARG 30 4.563 7.232 -10.068 233 1HH2 ARG 30 HH21 ARG 30 6.842 5.259 -11.838 234 2HH2 ARG 30 HH22 ARG 30 5.946 6.741 -11.823 235 H LYS 31 HN LYS 31 2.931 -0.590 -8.296 236 HA LYS 31 HA LYS 31 2.033 -1.711 -5.742 237 1HB LYS 31 HB2 LYS 31 0.317 -2.950 -6.967 238 2HB LYS 31 HB1 LYS 31 0.119 -1.215 -7.177 239 1HG LYS 31 HG2 LYS 31 1.675 -2.740 -9.208 240 2HG LYS 31 HG1 LYS 31 -0.079 -2.858 -9.211 241 1HD LYS 31 HD2 LYS 31 -0.246 -0.882 -10.214 242 2HD LYS 31 HD1 LYS 31 0.682 -0.116 -8.925 243 1HE LYS 31 HE2 LYS 31 2.717 -1.192 -10.187 244 2HE LYS 31 HE1 LYS 31 1.598 -1.195 -11.550 245 1HZ LYS 31 HZ1 LYS 31 1.788 1.290 -10.052 246 2HZ LYS 31 HZ2 LYS 31 1.662 1.037 -11.720 247 3HZ LYS 31 HZ3 LYS 31 3.158 0.863 -10.949 248 H SER 32 HN SER 32 3.114 -3.491 -5.163 249 HA SER 32 HA SER 32 4.037 -5.352 -7.175 250 1HB SER 32 HB2 SER 32 5.802 -3.562 -5.661 251 2HB SER 32 HB1 SER 32 6.264 -5.262 -5.586 252 HG SER 32 HG SER 32 6.627 -3.547 -7.579 253 H ALA 33 HN ALA 33 5.288 -7.159 -5.992 254 HA ALA 33 HA ALA 33 4.009 -7.850 -3.436 255 1HB ALA 33 HB1 ALA 33 3.954 -10.235 -4.266 256 2HB ALA 33 HB2 ALA 33 4.305 -9.613 -5.878 257 3HB ALA 33 HB3 ALA 33 2.809 -9.157 -5.063 258 H ASP 34 HN ASP 34 5.975 -7.103 -2.475 259 HA ASP 34 HA ASP 34 8.074 -7.553 -1.571 260 1HB ASP 34 HB2 ASP 34 7.422 -10.076 -2.567 261 2HB ASP 34 HB1 ASP 34 8.932 -9.688 -3.383 262 H ASP 35 HN ASP 35 8.022 -5.485 -2.879 263 HA ASP 35 HA ASP 35 10.412 -5.271 -4.367 264 1HB ASP 35 HB2 ASP 35 8.761 -6.430 -6.004 265 2HB ASP 35 HB1 ASP 35 8.051 -4.832 -6.163 266 H SER 36 HN SER 36 8.436 -3.087 -5.993 267 HA SER 36 HA SER 36 8.744 -1.178 -3.770 268 1HB SER 36 HB2 SER 36 9.047 0.494 -5.831 269 2HB SER 36 HB1 SER 36 10.400 -0.390 -5.125 270 HG SER 36 HG SER 36 9.680 -0.445 -7.603 271 H VAL 37 HN VAL 37 7.099 -0.192 -3.144 272 HA VAL 37 HA VAL 37 4.907 0.733 -4.792 273 HB VAL 37 HB VAL 37 4.738 -1.138 -2.457 274 1HG1 VAL 37 HG11 VAL 37 3.184 0.520 -1.801 275 2HG1 VAL 37 HG12 VAL 37 2.249 -0.798 -2.502 276 3HG1 VAL 37 HG13 VAL 37 2.545 0.663 -3.435 277 1HG2 VAL 37 HG21 VAL 37 4.047 -1.219 -5.300 278 2HG2 VAL 37 HG22 VAL 37 2.914 -1.998 -4.199 279 3HG2 VAL 37 HG23 VAL 37 4.603 -2.498 -4.225 280 H SER 38 HN SER 38 3.435 2.170 -3.151 281 HA SER 38 HA SER 38 5.341 3.790 -1.642 282 1HB SER 38 HB2 SER 38 3.581 5.508 -1.634 283 2HB SER 38 HB1 SER 38 3.906 4.953 -3.276 284 HG SER 38 HG SER 38 2.061 3.566 -3.039 285 H ALA 39 HN ALA 39 5.415 3.629 0.559 286 HA ALA 39 HA ALA 39 3.428 2.049 1.937 287 1HB ALA 39 HB1 ALA 39 5.038 2.590 3.913 288 2HB ALA 39 HB2 ALA 39 6.134 3.110 2.633 289 3HB ALA 39 HB3 ALA 39 5.539 1.451 2.663 290 H GLN 40 HN GLN 40 2.355 2.808 3.856 291 HA GLN 40 HA GLN 40 1.198 4.313 5.120 292 1HB GLN 40 HB2 GLN 40 3.455 5.480 5.282 293 2HB GLN 40 HB1 GLN 40 2.923 6.496 3.950 294 1HG GLN 40 HG2 GLN 40 1.031 6.329 6.176 295 2HG GLN 40 HG1 GLN 40 2.581 7.066 6.579 296 1HE2 GLN 40 HE21 GLN 40 3.328 8.753 5.004 297 2HE2 GLN 40 HE22 GLN 40 2.135 9.845 4.396 298 H GLU 41 HN GLU 41 1.190 4.040 1.903 299 HA GLU 41 HA GLU 41 -0.381 6.261 1.135 300 1HB GLU 41 HB2 GLU 41 0.903 4.181 -0.193 301 2HB GLU 41 HB1 GLU 41 -0.807 3.940 -0.527 302 1HG GLU 41 HG2 GLU 41 -0.056 5.295 -2.265 303 2HG GLU 41 HG1 GLU 41 -0.845 6.414 -1.153 304 H LYS 42 HN LYS 42 -1.021 3.497 2.974 305 HA LYS 42 HA LYS 42 -3.466 2.548 2.475 306 1HB LYS 42 HB2 LYS 42 -2.363 1.953 4.508 307 2HB LYS 42 HB1 LYS 42 -2.453 3.599 5.114 308 1HG LYS 42 HG2 LYS 42 -5.076 2.525 4.509 309 2HG LYS 42 HG1 LYS 42 -4.201 1.532 5.675 310 1HD LYS 42 HD2 LYS 42 -3.675 3.835 6.797 311 2HD LYS 42 HD1 LYS 42 -5.087 4.376 5.888 312 1HE LYS 42 HE2 LYS 42 -5.977 2.038 6.986 313 2HE LYS 42 HE1 LYS 42 -4.909 2.650 8.247 314 1HZ LYS 42 HZ1 LYS 42 -6.271 4.368 8.691 315 2HZ LYS 42 HZ2 LYS 42 -7.452 3.370 8.006 316 3HZ LYS 42 HZ3 LYS 42 -6.731 4.586 7.078 317 H GLN 43 HN GLN 43 -2.863 5.871 3.510 318 HA GLN 43 HA GLN 43 -5.335 6.793 4.211 319 1HB GLN 43 HB2 GLN 43 -3.205 8.115 2.532 320 2HB GLN 43 HB1 GLN 43 -4.648 8.966 3.067 321 1HG GLN 43 HG2 GLN 43 -3.237 7.583 5.215 322 2HG GLN 43 HG1 GLN 43 -2.283 8.835 4.420 323 1HE2 GLN 43 HE21 GLN 43 -2.701 10.920 4.846 324 2HE2 GLN 43 HE22 GLN 43 -3.968 11.478 5.878 325 H THR 44 HN THR 44 -4.108 6.351 0.918 326 HA THR 44 HA THR 44 -6.532 7.176 -0.311 327 HB THR 44 HB THR 44 -4.859 5.479 -1.989 328 HG1 THR 44 HG1 THR 44 -3.258 6.389 -0.571 329 1HG2 THR 44 HG21 THR 44 -5.091 7.158 -3.557 330 2HG2 THR 44 HG22 THR 44 -5.347 8.400 -2.330 331 3HG2 THR 44 HG23 THR 44 -6.610 7.214 -2.661 332 H LEU 45 HN LEU 45 -5.156 4.047 0.629 333 HA LEU 45 HA LEU 45 -6.797 2.254 -0.618 334 1HB LEU 45 HB2 LEU 45 -4.985 1.921 1.231 335 2HB LEU 45 HB1 LEU 45 -6.333 2.036 2.341 336 HG LEU 45 HG LEU 45 -5.788 -0.091 0.291 337 1HD1 LEU 45 HD11 LEU 45 -5.886 0.136 3.240 338 2HD1 LEU 45 HD12 LEU 45 -4.823 -0.817 2.207 339 3HD1 LEU 45 HD13 LEU 45 -6.469 -1.366 2.523 340 1HD2 LEU 45 HD21 LEU 45 -7.991 -1.047 0.861 341 2HD2 LEU 45 HD22 LEU 45 -8.121 0.490 0.005 342 3HD2 LEU 45 HD23 LEU 45 -8.379 0.426 1.749 343 H ILE 46 HN ILE 46 -7.505 4.052 2.372 344 HA ILE 46 HA ILE 46 -10.110 3.165 2.797 345 HB ILE 46 HB ILE 46 -8.522 5.028 4.025 346 1HG1 ILE 46 HG12 ILE 46 -11.507 4.971 4.425 347 2HG1 ILE 46 HG11 ILE 46 -10.474 3.619 4.876 348 1HG2 ILE 46 HG21 ILE 46 -9.664 7.178 4.007 349 2HG2 ILE 46 HG22 ILE 46 -10.777 6.590 2.772 350 3HG2 ILE 46 HG23 ILE 46 -9.063 6.773 2.400 351 1HD1 ILE 46 HD11 ILE 46 -10.494 4.686 6.859 352 2HD1 ILE 46 HD12 ILE 46 -10.799 6.264 6.134 353 3HD1 ILE 46 HD13 ILE 46 -9.171 5.588 6.121 354 H ASP 47 HN ASP 47 -8.809 5.730 0.789 355 HA ASP 47 HA ASP 47 -11.031 6.863 -0.276 356 1HB ASP 47 HB2 ASP 47 -8.441 7.251 -0.697 357 2HB ASP 47 HB1 ASP 47 -8.813 6.352 -2.165 358 H HIS 48 HN HIS 48 -9.325 4.001 -1.513 359 HA HIS 48 HA HIS 48 -10.808 3.450 -3.766 360 1HB HIS 48 HB2 HIS 48 -9.625 1.545 -1.736 361 2HB HIS 48 HB1 HIS 48 -10.334 1.006 -3.248 362 HD1 HIS 48 HD1 HIS 48 -7.469 3.162 -2.007 363 HD2 HIS 48 HD2 HIS 48 -8.589 0.966 -5.353 364 HE1 HIS 48 HE1 HIS 48 -5.418 3.039 -3.472 365 HE2 HIS 48 HE2 HIS 48 -6.210 1.911 -5.569 366 H LEU 49 HN LEU 49 -11.459 2.419 -0.434 367 HA LEU 49 HA LEU 49 -13.755 0.956 -0.825 368 1HB LEU 49 HB2 LEU 49 -12.370 1.480 1.325 369 2HB LEU 49 HB1 LEU 49 -13.529 2.779 1.533 370 HG LEU 49 HG LEU 49 -15.356 1.050 1.429 371 1HD1 LEU 49 HD11 LEU 49 -14.951 -1.158 1.241 372 2HD1 LEU 49 HD12 LEU 49 -13.434 -1.068 2.135 373 3HD1 LEU 49 HD13 LEU 49 -13.483 -0.605 0.434 374 1HD2 LEU 49 HD21 LEU 49 -15.113 0.407 3.718 375 2HD2 LEU 49 HD22 LEU 49 -14.434 2.024 3.534 376 3HD2 LEU 49 HD23 LEU 49 -13.364 0.627 3.649 377 H ASN 50 HN ASN 50 -13.758 4.337 0.310 378 HA ASN 50 HA ASN 50 -16.489 4.762 -0.167 379 1HB ASN 50 HB2 ASN 50 -14.133 6.521 0.341 380 2HB ASN 50 HB1 ASN 50 -15.614 7.269 -0.251 381 1HD2 ASN 50 HD21 ASN 50 -15.059 8.225 2.016 382 2HD2 ASN 50 HD22 ASN 50 -15.920 7.501 3.328 Start of MODEL 9 1 1H THR 2 HT1 THR 2 7.079 9.856 2.320 2 2H THR 2 HT2 THR 2 6.011 8.866 1.410 3 3H THR 2 HT3 THR 2 7.413 9.526 0.672 4 HA THR 2 HA THR 2 8.827 8.179 1.863 5 HB THR 2 HB THR 2 7.780 6.620 3.623 6 HG1 THR 2 HG1 THR 2 5.591 7.224 2.942 7 1HG2 THR 2 HG21 THR 2 7.809 9.571 4.209 8 2HG2 THR 2 HG22 THR 2 9.194 8.482 4.288 9 3HG2 THR 2 HG23 THR 2 7.844 8.274 5.403 10 H ASP 3 HN ASP 3 9.326 6.709 0.385 11 HA ASP 3 HA ASP 3 7.255 4.782 -0.439 12 1HB ASP 3 HB2 ASP 3 8.306 4.734 -2.675 13 2HB ASP 3 HB1 ASP 3 7.694 6.334 -2.267 14 H VAL 4 HN VAL 4 7.795 2.665 -0.435 15 HA VAL 4 HA VAL 4 10.594 1.885 -0.169 16 HB VAL 4 HB VAL 4 8.730 0.485 1.672 17 1HG1 VAL 4 HG11 VAL 4 10.989 0.894 3.053 18 2HG1 VAL 4 HG12 VAL 4 11.618 1.031 1.410 19 3HG1 VAL 4 HG13 VAL 4 10.778 -0.435 1.912 20 1HG2 VAL 4 HG21 VAL 4 9.042 2.117 3.461 21 2HG2 VAL 4 HG22 VAL 4 8.171 2.832 2.104 22 3HG2 VAL 4 HG23 VAL 4 9.880 3.194 2.345 23 H THR 5 HN THR 5 10.608 -0.682 -0.082 24 HA THR 5 HA THR 5 9.093 -1.475 -2.415 25 HB THR 5 HB THR 5 10.557 -3.236 -2.662 26 HG1 THR 5 HG1 THR 5 10.279 -4.332 -0.773 27 1HG2 THR 5 HG21 THR 5 12.573 -1.948 -0.991 28 2HG2 THR 5 HG22 THR 5 11.758 -0.863 -2.118 29 3HG2 THR 5 HG23 THR 5 12.579 -2.305 -2.718 30 H ILE 6 HN ILE 6 7.272 -2.527 -2.405 31 HA ILE 6 HA ILE 6 5.765 -3.107 -0.152 32 HB ILE 6 HB ILE 6 4.807 -2.975 -2.445 33 1HG1 ILE 6 HG12 ILE 6 3.692 -4.039 -0.389 34 2HG1 ILE 6 HG11 ILE 6 2.994 -4.388 -1.963 35 1HG2 ILE 6 HG21 ILE 6 6.026 -5.697 -2.729 36 2HG2 ILE 6 HG22 ILE 6 6.307 -4.272 -3.727 37 3HG2 ILE 6 HG23 ILE 6 4.744 -5.084 -3.771 38 1HD1 ILE 6 HD11 ILE 6 3.896 -6.189 0.016 39 2HD1 ILE 6 HD12 ILE 6 4.918 -6.385 -1.402 40 3HD1 ILE 6 HD13 ILE 6 3.170 -6.544 -1.546 41 H LYS 7 HN LYS 7 5.239 -4.878 0.945 42 HA LYS 7 HA LYS 7 5.330 -7.205 1.450 43 1HB LYS 7 HB2 LYS 7 6.874 -7.645 -0.523 44 2HB LYS 7 HB1 LYS 7 8.214 -7.192 0.520 45 1HG LYS 7 HG2 LYS 7 6.290 -9.371 1.263 46 2HG LYS 7 HG1 LYS 7 7.708 -9.670 0.256 47 1HD LYS 7 HD2 LYS 7 8.855 -9.945 2.150 48 2HD LYS 7 HD1 LYS 7 8.692 -8.205 2.399 49 1HE LYS 7 HE2 LYS 7 6.468 -8.720 3.506 50 2HE LYS 7 HE1 LYS 7 6.962 -10.412 3.488 51 1HZ LYS 7 HZ1 LYS 7 7.937 -8.211 5.120 52 2HZ LYS 7 HZ2 LYS 7 9.107 -9.308 4.581 53 3HZ LYS 7 HZ3 LYS 7 7.791 -9.855 5.493 54 H THR 8 HN THR 8 8.636 -5.860 1.877 55 HA THR 8 HA THR 8 8.763 -6.462 4.624 56 HB THR 8 HB THR 8 10.629 -4.886 4.728 57 HG1 THR 8 HG1 THR 8 10.085 -3.137 3.611 58 1HG2 THR 8 HG21 THR 8 10.748 -6.160 2.012 59 2HG2 THR 8 HG22 THR 8 10.994 -7.043 3.519 60 3HG2 THR 8 HG23 THR 8 12.091 -5.736 3.074 61 H LEU 9 HN LEU 9 7.815 -3.616 2.823 62 HA LEU 9 HA LEU 9 6.985 -2.055 5.064 63 1HB LEU 9 HB2 LEU 9 7.568 -1.380 2.556 64 2HB LEU 9 HB1 LEU 9 5.844 -1.623 2.343 65 HG LEU 9 HG LEU 9 5.425 0.029 4.155 66 1HD1 LEU 9 HD11 LEU 9 7.393 1.543 4.677 67 2HD1 LEU 9 HD12 LEU 9 8.419 0.249 4.057 68 3HD1 LEU 9 HD13 LEU 9 7.382 -0.039 5.455 69 1HD2 LEU 9 HD21 LEU 9 5.163 0.984 2.078 70 2HD2 LEU 9 HD22 LEU 9 6.850 0.737 1.632 71 3HD2 LEU 9 HD23 LEU 9 6.419 2.008 2.771 72 H ALA 10 HN ALA 10 5.421 -4.053 2.620 73 HA ALA 10 HA ALA 10 2.765 -3.773 3.129 74 1HB ALA 10 HB1 ALA 10 3.114 -5.218 1.427 75 2HB ALA 10 HB2 ALA 10 2.791 -6.388 2.707 76 3HB ALA 10 HB3 ALA 10 4.442 -6.021 2.251 77 H ALA 11 HN ALA 11 5.003 -5.995 4.756 78 HA ALA 11 HA ALA 11 3.141 -6.987 6.644 79 1HB ALA 11 HB1 ALA 11 6.117 -7.038 6.386 80 2HB ALA 11 HB2 ALA 11 4.969 -8.376 6.404 81 3HB ALA 11 HB3 ALA 11 5.368 -7.536 7.903 82 H GLU 12 HN GLU 12 5.674 -4.519 6.799 83 HA GLU 12 HA GLU 12 5.811 -3.643 9.280 84 1HB GLU 12 HB2 GLU 12 6.204 -2.464 6.790 85 2HB GLU 12 HB1 GLU 12 5.166 -1.334 7.647 86 1HG GLU 12 HG2 GLU 12 6.829 -1.524 9.566 87 2HG GLU 12 HG1 GLU 12 7.900 -2.302 8.402 88 H ARG 13 HN ARG 13 3.198 -2.212 7.235 89 HA ARG 13 HA ARG 13 1.824 -1.284 9.536 90 1HB ARG 13 HB2 ARG 13 1.444 -1.187 6.652 91 2HB ARG 13 HB1 ARG 13 -0.053 -1.289 7.552 92 1HG ARG 13 HG2 ARG 13 0.443 1.013 7.170 93 2HG ARG 13 HG1 ARG 13 0.674 0.673 8.887 94 1HD ARG 13 HD2 ARG 13 3.137 0.290 8.265 95 2HD ARG 13 HD1 ARG 13 2.742 1.112 6.757 96 HE ARG 13 HE ARG 13 1.821 2.774 8.728 97 1HH1 ARG 13 HH11 ARG 13 4.905 1.355 7.920 98 2HH1 ARG 13 HH12 ARG 13 5.822 2.672 8.573 99 1HH2 ARG 13 HH21 ARG 13 3.028 4.505 9.590 100 2HH2 ARG 13 HH22 ARG 13 4.757 4.458 9.521 101 H GLN 14 HN GLN 14 1.250 -3.851 7.281 102 HA GLN 14 HA GLN 14 0.271 -5.909 7.527 103 1HB GLN 14 HB2 GLN 14 0.845 -5.198 10.213 104 2HB GLN 14 HB1 GLN 14 -0.812 -5.785 10.186 105 1HG GLN 14 HG2 GLN 14 1.261 -7.365 8.765 106 2HG GLN 14 HG1 GLN 14 1.236 -7.404 10.528 107 1HE2 GLN 14 HE21 GLN 14 0.809 -9.682 9.105 108 2HE2 GLN 14 HE22 GLN 14 -0.841 -10.175 9.256 109 H THR 15 HN THR 15 -1.414 -5.710 6.211 110 HA THR 15 HA THR 15 -3.622 -5.635 5.623 111 HB THR 15 HB THR 15 -4.345 -4.463 8.298 112 HG1 THR 15 HG1 THR 15 -3.481 -6.197 9.118 113 1HG2 THR 15 HG21 THR 15 -6.139 -6.453 7.553 114 2HG2 THR 15 HG22 THR 15 -5.810 -5.545 6.077 115 3HG2 THR 15 HG23 THR 15 -6.396 -4.709 7.515 116 H SER 16 HN SER 16 -1.583 -3.188 6.249 117 HA SER 16 HA SER 16 -3.504 -1.167 5.331 118 1HB SER 16 HB2 SER 16 -1.923 -1.050 7.618 119 2HB SER 16 HB1 SER 16 -1.094 -0.009 6.463 120 HG SER 16 HG SER 16 -2.561 1.400 6.953 121 H VAL 17 HN VAL 17 0.012 -0.577 5.321 122 HA VAL 17 HA VAL 17 -0.015 0.328 2.771 123 HB VAL 17 HB VAL 17 1.756 0.964 4.089 124 1HG1 VAL 17 HG11 VAL 17 3.439 -1.366 4.125 125 2HG1 VAL 17 HG12 VAL 17 1.877 -1.772 4.832 126 3HG1 VAL 17 HG13 VAL 17 2.817 -0.428 5.481 127 1HG2 VAL 17 HG21 VAL 17 3.439 -0.617 2.289 128 2HG2 VAL 17 HG22 VAL 17 3.200 1.127 2.390 129 3HG2 VAL 17 HG23 VAL 17 2.059 0.132 1.485 130 H GLU 18 HN GLU 18 0.819 -3.106 3.597 131 HA GLU 18 HA GLU 18 1.419 -3.964 1.030 132 1HB GLU 18 HB2 GLU 18 1.268 -5.373 3.168 133 2HB GLU 18 HB1 GLU 18 -0.455 -5.463 2.867 134 1HG GLU 18 HG2 GLU 18 -0.112 -6.617 0.804 135 2HG GLU 18 HG1 GLU 18 1.631 -6.394 0.913 136 H ARG 19 HN ARG 19 -1.738 -3.793 2.581 137 HA ARG 19 HA ARG 19 -3.395 -4.443 0.487 138 1HB ARG 19 HB2 ARG 19 -3.912 -3.870 2.987 139 2HB ARG 19 HB1 ARG 19 -4.171 -2.250 2.355 140 1HG ARG 19 HG2 ARG 19 -5.871 -3.122 0.826 141 2HG ARG 19 HG1 ARG 19 -5.618 -4.741 1.480 142 1HD ARG 19 HD2 ARG 19 -6.101 -3.525 3.765 143 2HD ARG 19 HD1 ARG 19 -6.920 -2.366 2.720 144 HE ARG 19 HE ARG 19 -8.606 -3.875 2.470 145 1HH1 ARG 19 HH11 ARG 19 -5.747 -5.595 3.498 146 2HH1 ARG 19 HH12 ARG 19 -6.565 -7.113 3.653 147 1HH2 ARG 19 HH21 ARG 19 -9.684 -5.869 2.676 148 2HH2 ARG 19 HH22 ARG 19 -8.801 -7.270 3.186 149 H LEU 20 HN LEU 20 -2.085 -1.380 1.390 150 HA LEU 20 HA LEU 20 -3.352 0.253 -0.477 151 1HB LEU 20 HB2 LEU 20 -0.508 0.756 0.277 152 2HB LEU 20 HB1 LEU 20 -1.801 1.909 -0.007 153 HG LEU 20 HG LEU 20 -1.508 0.109 2.359 154 1HD1 LEU 20 HD11 LEU 20 -1.226 2.229 3.585 155 2HD1 LEU 20 HD12 LEU 20 -1.249 3.077 2.044 156 3HD1 LEU 20 HD13 LEU 20 0.051 1.955 2.401 157 1HD2 LEU 20 HD21 LEU 20 -3.862 0.492 1.636 158 2HD2 LEU 20 HD22 LEU 20 -3.587 2.215 1.895 159 3HD2 LEU 20 HD23 LEU 20 -3.481 1.092 3.251 160 H VAL 21 HN VAL 21 -0.253 -1.419 -0.746 161 HA VAL 21 HA VAL 21 0.520 -0.457 -3.173 162 HB VAL 21 HB VAL 21 0.962 -3.346 -2.998 163 1HG1 VAL 21 HG11 VAL 21 3.189 -2.743 -3.495 164 2HG1 VAL 21 HG12 VAL 21 2.922 -1.092 -2.955 165 3HG1 VAL 21 HG13 VAL 21 2.158 -1.662 -4.427 166 1HG2 VAL 21 HG21 VAL 21 1.230 -3.436 -0.768 167 2HG2 VAL 21 HG22 VAL 21 1.322 -1.684 -0.611 168 3HG2 VAL 21 HG23 VAL 21 2.737 -2.593 -1.092 169 H GLN 22 HN GLN 22 -1.681 -3.228 -2.638 170 HA GLN 22 HA GLN 22 -2.026 -3.706 -5.408 171 1HB GLN 22 HB2 GLN 22 -2.719 -5.090 -3.242 172 2HB GLN 22 HB1 GLN 22 -4.271 -4.336 -3.582 173 1HG GLN 22 HG2 GLN 22 -4.665 -5.962 -5.023 174 2HG GLN 22 HG1 GLN 22 -3.386 -5.298 -6.039 175 1HE2 GLN 22 HE21 GLN 22 -1.439 -6.324 -6.159 176 2HE2 GLN 22 HE22 GLN 22 -1.128 -7.867 -5.446 177 H GLN 23 HN GLN 23 -4.581 -2.394 -3.311 178 HA GLN 23 HA GLN 23 -6.251 -1.541 -5.327 179 1HB GLN 23 HB2 GLN 23 -5.790 -0.093 -2.709 180 2HB GLN 23 HB1 GLN 23 -7.229 -0.008 -3.709 181 1HG GLN 23 HG2 GLN 23 -6.238 -2.508 -2.371 182 2HG GLN 23 HG1 GLN 23 -7.490 -1.450 -1.730 183 1HE2 GLN 23 HE21 GLN 23 -9.309 -2.566 -1.887 184 2HE2 GLN 23 HE22 GLN 23 -9.902 -3.328 -3.319 185 H PHE 24 HN PHE 24 -3.680 0.259 -3.760 186 HA PHE 24 HA PHE 24 -3.871 2.647 -5.077 187 1HB PHE 24 HB2 PHE 24 -1.575 1.279 -3.751 188 2HB PHE 24 HB1 PHE 24 -1.363 2.834 -4.558 189 HD1 PHE 24 HD1 PHE 24 -3.929 1.242 -2.390 190 HD2 PHE 24 HD2 PHE 24 -1.565 4.671 -3.218 191 HE1 PHE 24 HE1 PHE 24 -5.074 2.446 -0.610 192 HE2 PHE 24 HE2 PHE 24 -2.702 5.883 -1.417 193 HZ PHE 24 HZ PHE 24 -4.508 4.782 -0.148 194 H ALA 25 HN ALA 25 -2.129 -0.241 -6.145 195 HA ALA 25 HA ALA 25 -0.792 0.752 -8.330 196 1HB ALA 25 HB1 ALA 25 -0.471 -1.446 -8.667 197 2HB ALA 25 HB2 ALA 25 -2.140 -1.598 -9.216 198 3HB ALA 25 HB3 ALA 25 -1.749 -1.818 -7.510 199 H ASP 26 HN ASP 26 -4.177 -0.152 -7.912 200 HA ASP 26 HA ASP 26 -5.093 0.748 -10.456 201 1HB ASP 26 HB2 ASP 26 -6.292 -0.676 -8.573 202 2HB ASP 26 HB1 ASP 26 -6.839 0.906 -8.025 203 H ALA 27 HN ALA 27 -4.985 2.285 -7.234 204 HA ALA 27 HA ALA 27 -6.093 4.756 -7.640 205 1HB ALA 27 HB1 ALA 27 -5.375 4.281 -5.489 206 2HB ALA 27 HB2 ALA 27 -4.366 5.619 -6.020 207 3HB ALA 27 HB3 ALA 27 -3.724 3.983 -6.009 208 H GLY 28 HN GLY 28 -2.605 4.339 -7.644 209 1HA GLY 28 HA2 GLY 28 -1.727 5.171 -10.072 210 2HA GLY 28 HA1 GLY 28 -2.110 6.684 -9.248 211 H ILE 29 HN ILE 29 -0.904 3.672 -7.965 212 HA ILE 29 HA ILE 29 1.682 4.827 -7.256 213 HB ILE 29 HB ILE 29 0.062 3.313 -5.216 214 1HG1 ILE 29 HG12 ILE 29 -0.177 5.670 -4.168 215 2HG1 ILE 29 HG11 ILE 29 0.152 6.266 -5.791 216 1HG2 ILE 29 HG21 ILE 29 2.111 3.260 -4.297 217 2HG2 ILE 29 HG22 ILE 29 1.767 4.936 -3.867 218 3HG2 ILE 29 HG23 ILE 29 2.707 4.573 -5.314 219 1HD1 ILE 29 HD11 ILE 29 -1.938 5.909 -6.413 220 2HD1 ILE 29 HD12 ILE 29 -2.308 5.552 -4.728 221 3HD1 ILE 29 HD13 ILE 29 -1.890 4.244 -5.833 222 H ARG 30 HN ARG 30 2.915 2.796 -6.005 223 HA ARG 30 HA ARG 30 3.169 0.887 -8.108 224 1HB ARG 30 HB2 ARG 30 4.444 0.932 -5.368 225 2HB ARG 30 HB1 ARG 30 4.937 -0.090 -6.712 226 1HG ARG 30 HG2 ARG 30 4.908 2.899 -6.926 227 2HG ARG 30 HG1 ARG 30 6.294 2.019 -6.282 228 1HD ARG 30 HD2 ARG 30 5.578 0.705 -8.655 229 2HD ARG 30 HD1 ARG 30 5.497 2.429 -9.015 230 HE ARG 30 HE ARG 30 7.889 1.747 -7.627 231 1HH1 ARG 30 HH11 ARG 30 6.371 1.706 -10.767 232 2HH1 ARG 30 HH12 ARG 30 7.870 1.751 -11.633 233 1HH2 ARG 30 HH21 ARG 30 9.863 1.807 -8.762 234 2HH2 ARG 30 HH22 ARG 30 9.853 1.808 -10.493 235 H LYS 31 HN LYS 31 2.927 -1.335 -7.993 236 HA LYS 31 HA LYS 31 0.570 -2.189 -6.562 237 1HB LYS 31 HB2 LYS 31 1.361 -2.629 -9.065 238 2HB LYS 31 HB1 LYS 31 2.053 -4.062 -8.319 239 1HG LYS 31 HG2 LYS 31 0.059 -5.039 -8.055 240 2HG LYS 31 HG1 LYS 31 -0.721 -3.537 -7.553 241 1HD LYS 31 HD2 LYS 31 -1.774 -3.954 -9.562 242 2HD LYS 31 HD1 LYS 31 -0.457 -2.894 -10.070 243 1HE LYS 31 HE2 LYS 31 0.839 -4.757 -10.826 244 2HE LYS 31 HE1 LYS 31 -0.303 -5.901 -10.125 245 1HZ LYS 31 HZ1 LYS 31 -1.977 -5.123 -11.696 246 2HZ LYS 31 HZ2 LYS 31 -0.614 -5.715 -12.504 247 3HZ LYS 31 HZ3 LYS 31 -0.861 -4.047 -12.377 248 H SER 32 HN SER 32 0.391 -4.341 -5.645 249 HA SER 32 HA SER 32 2.542 -4.806 -3.755 250 1HB SER 32 HB2 SER 32 -0.220 -4.833 -3.549 251 2HB SER 32 HB1 SER 32 0.213 -6.541 -3.496 252 HG SER 32 HG SER 32 0.390 -5.886 -1.431 253 H ALA 33 HN ALA 33 2.705 -7.149 -3.009 254 HA ALA 33 HA ALA 33 2.967 -9.421 -3.439 255 1HB ALA 33 HB1 ALA 33 2.790 -10.392 -5.560 256 2HB ALA 33 HB2 ALA 33 3.160 -8.879 -6.386 257 3HB ALA 33 HB3 ALA 33 1.603 -9.088 -5.585 258 H ASP 34 HN ASP 34 4.851 -7.631 -2.618 259 HA ASP 34 HA ASP 34 7.114 -7.343 -2.458 260 1HB ASP 34 HB2 ASP 34 6.766 -10.021 -2.937 261 2HB ASP 34 HB1 ASP 34 7.863 -9.565 -4.238 262 H ASP 35 HN ASP 35 7.779 -5.572 -3.471 263 HA ASP 35 HA ASP 35 9.263 -5.374 -5.701 264 1HB ASP 35 HB2 ASP 35 6.437 -5.697 -6.494 265 2HB ASP 35 HB1 ASP 35 7.263 -4.346 -7.262 266 H SER 36 HN SER 36 6.624 -3.141 -6.187 267 HA SER 36 HA SER 36 8.040 -1.252 -4.422 268 1HB SER 36 HB2 SER 36 6.743 -0.648 -7.091 269 2HB SER 36 HB1 SER 36 7.469 0.549 -6.018 270 HG SER 36 HG SER 36 8.718 -1.517 -7.475 271 H VAL 37 HN VAL 37 6.924 -0.033 -3.066 272 HA VAL 37 HA VAL 37 4.001 0.128 -3.187 273 HB VAL 37 HB VAL 37 4.555 -1.730 -1.649 274 1HG1 VAL 37 HG11 VAL 37 5.762 -1.349 0.399 275 2HG1 VAL 37 HG12 VAL 37 5.937 0.360 0.011 276 3HG1 VAL 37 HG13 VAL 37 6.762 -0.852 -0.962 277 1HG2 VAL 37 HG21 VAL 37 3.584 0.595 -0.019 278 2HG2 VAL 37 HG22 VAL 37 3.148 -1.104 0.135 279 3HG2 VAL 37 HG23 VAL 37 2.592 -0.176 -1.257 280 H SER 38 HN SER 38 3.117 1.689 -1.584 281 HA SER 38 HA SER 38 5.005 3.846 -0.958 282 1HB SER 38 HB2 SER 38 2.274 4.002 -2.207 283 2HB SER 38 HB1 SER 38 2.908 5.355 -1.272 284 HG SER 38 HG SER 38 4.714 5.370 -2.692 285 H ALA 39 HN ALA 39 5.058 4.237 1.202 286 HA ALA 39 HA ALA 39 3.075 3.052 2.938 287 1HB ALA 39 HB1 ALA 39 5.819 4.072 3.231 288 2HB ALA 39 HB2 ALA 39 5.026 2.701 4.006 289 3HB ALA 39 HB3 ALA 39 4.765 4.333 4.621 290 H GLN 40 HN GLN 40 1.969 4.253 4.589 291 HA GLN 40 HA GLN 40 0.821 6.028 5.458 292 1HB GLN 40 HB2 GLN 40 2.331 7.894 3.635 293 2HB GLN 40 HB1 GLN 40 1.558 8.261 5.172 294 1HG GLN 40 HG2 GLN 40 3.315 6.519 6.078 295 2HG GLN 40 HG1 GLN 40 4.185 6.995 4.620 296 1HE2 GLN 40 HE21 GLN 40 4.465 9.354 4.308 297 2HE2 GLN 40 HE22 GLN 40 4.766 10.323 5.706 298 H GLU 41 HN GLU 41 0.617 4.699 2.628 299 HA GLU 41 HA GLU 41 -1.062 6.525 1.201 300 1HB GLU 41 HB2 GLU 41 0.077 3.852 0.771 301 2HB GLU 41 HB1 GLU 41 -1.516 4.078 0.071 302 1HG GLU 41 HG2 GLU 41 0.593 4.590 -1.339 303 2HG GLU 41 HG1 GLU 41 -0.782 5.684 -1.414 304 H LYS 42 HN LYS 42 -1.428 4.174 3.700 305 HA LYS 42 HA LYS 42 -3.803 3.022 3.622 306 1HB LYS 42 HB2 LYS 42 -4.209 3.698 6.016 307 2HB LYS 42 HB1 LYS 42 -2.632 3.001 5.672 308 1HG LYS 42 HG2 LYS 42 -1.549 4.859 6.272 309 2HG LYS 42 HG1 LYS 42 -2.698 5.911 5.444 310 1HD LYS 42 HD2 LYS 42 -3.533 4.540 7.958 311 2HD LYS 42 HD1 LYS 42 -2.481 5.954 8.060 312 1HE LYS 42 HE2 LYS 42 -4.136 7.365 7.523 313 2HE LYS 42 HE1 LYS 42 -4.747 6.309 6.250 314 1HZ LYS 42 HZ1 LYS 42 -6.059 6.795 8.507 315 2HZ LYS 42 HZ2 LYS 42 -5.204 5.412 8.975 316 3HZ LYS 42 HZ3 LYS 42 -6.229 5.358 7.630 317 H GLN 43 HN GLN 43 -3.518 6.538 3.793 318 HA GLN 43 HA GLN 43 -6.151 7.213 4.350 319 1HB GLN 43 HB2 GLN 43 -3.798 8.544 3.421 320 2HB GLN 43 HB1 GLN 43 -5.164 9.087 2.456 321 1HG GLN 43 HG2 GLN 43 -5.810 10.419 4.092 322 2HG GLN 43 HG1 GLN 43 -5.970 9.039 5.176 323 1HE2 GLN 43 HE21 GLN 43 -3.285 10.839 3.699 324 2HE2 GLN 43 HE22 GLN 43 -2.405 11.063 5.168 325 H THR 44 HN THR 44 -4.664 6.902 1.103 326 HA THR 44 HA THR 44 -7.059 7.301 -0.278 327 HB THR 44 HB THR 44 -5.215 5.710 -1.816 328 HG1 THR 44 HG1 THR 44 -4.187 8.061 -0.608 329 1HG2 THR 44 HG21 THR 44 -5.976 8.609 -1.996 330 2HG2 THR 44 HG22 THR 44 -6.812 7.273 -2.788 331 3HG2 THR 44 HG23 THR 44 -5.152 7.664 -3.235 332 H LEU 45 HN LEU 45 -5.557 4.252 0.832 333 HA LEU 45 HA LEU 45 -7.004 2.401 -0.558 334 1HB LEU 45 HB2 LEU 45 -5.319 2.072 1.353 335 2HB LEU 45 HB1 LEU 45 -6.699 2.166 2.424 336 HG LEU 45 HG LEU 45 -6.045 -0.156 1.935 337 1HD1 LEU 45 HD11 LEU 45 -8.697 0.445 0.652 338 2HD1 LEU 45 HD12 LEU 45 -8.426 0.552 2.391 339 3HD1 LEU 45 HD13 LEU 45 -8.224 -0.990 1.560 340 1HD2 LEU 45 HD21 LEU 45 -6.092 -1.089 -0.203 341 2HD2 LEU 45 HD22 LEU 45 -5.299 0.468 -0.439 342 3HD2 LEU 45 HD23 LEU 45 -6.994 0.269 -0.878 343 H ILE 46 HN ILE 46 -8.061 4.108 2.378 344 HA ILE 46 HA ILE 46 -10.632 3.067 2.598 345 HB ILE 46 HB ILE 46 -9.858 5.967 3.013 346 1HG1 ILE 46 HG12 ILE 46 -8.359 4.555 4.294 347 2HG1 ILE 46 HG11 ILE 46 -9.512 5.312 5.387 348 1HG2 ILE 46 HG21 ILE 46 -12.270 4.376 3.582 349 2HG2 ILE 46 HG22 ILE 46 -12.091 6.104 3.281 350 3HG2 ILE 46 HG23 ILE 46 -11.729 5.445 4.876 351 1HD1 ILE 46 HD11 ILE 46 -9.012 2.515 4.867 352 2HD1 ILE 46 HD12 ILE 46 -10.719 2.925 4.706 353 3HD1 ILE 46 HD13 ILE 46 -9.864 3.284 6.206 354 H ASP 47 HN ASP 47 -9.342 5.714 0.684 355 HA ASP 47 HA ASP 47 -11.543 6.671 -0.587 356 1HB ASP 47 HB2 ASP 47 -8.964 7.272 -0.747 357 2HB ASP 47 HB1 ASP 47 -9.117 6.368 -2.249 358 H HIS 48 HN HIS 48 -9.470 4.008 -1.712 359 HA HIS 48 HA HIS 48 -10.718 3.372 -4.082 360 1HB HIS 48 HB2 HIS 48 -9.438 1.577 -2.015 361 2HB HIS 48 HB1 HIS 48 -10.024 0.967 -3.554 362 HD1 HIS 48 HD1 HIS 48 -7.395 3.281 -2.131 363 HD2 HIS 48 HD2 HIS 48 -8.266 1.261 -5.660 364 HE1 HIS 48 HE1 HIS 48 -5.321 3.453 -3.558 365 HE2 HIS 48 HE2 HIS 48 -5.958 2.392 -5.737 366 H LEU 49 HN LEU 49 -11.485 2.178 -0.831 367 HA LEU 49 HA LEU 49 -13.622 0.535 -1.500 368 1HB LEU 49 HB2 LEU 49 -12.423 1.540 0.874 369 2HB LEU 49 HB1 LEU 49 -14.157 1.749 1.018 370 HG LEU 49 HG LEU 49 -13.437 -0.371 1.989 371 1HD1 LEU 49 HD11 LEU 49 -14.906 -1.016 -0.545 372 2HD1 LEU 49 HD12 LEU 49 -15.648 -0.072 0.747 373 3HD1 LEU 49 HD13 LEU 49 -15.104 -1.720 1.060 374 1HD2 LEU 49 HD21 LEU 49 -11.567 -0.491 0.085 375 2HD2 LEU 49 HD22 LEU 49 -12.783 -1.539 -0.646 376 3HD2 LEU 49 HD23 LEU 49 -12.144 -1.914 0.954 377 H ASN 50 HN ASN 50 -13.986 3.707 0.077 378 HA ASN 50 HA ASN 50 -16.700 3.967 -0.697 379 1HB ASN 50 HB2 ASN 50 -14.713 5.581 0.753 380 2HB ASN 50 HB1 ASN 50 -15.929 6.525 -0.104 381 1HD2 ASN 50 HD21 ASN 50 -15.356 5.851 2.802 382 2HD2 ASN 50 HD22 ASN 50 -16.893 5.362 3.421 Start of MODEL 10 1 1H THR 2 HT1 THR 2 9.235 8.906 1.286 2 2H THR 2 HT2 THR 2 8.111 10.078 1.841 3 3H THR 2 HT3 THR 2 7.855 9.282 0.342 4 HA THR 2 HA THR 2 8.025 7.824 2.877 5 HB THR 2 HB THR 2 6.294 9.521 3.123 6 HG1 THR 2 HG1 THR 2 5.100 7.034 2.479 7 1HG2 THR 2 HG21 THR 2 5.938 9.785 0.608 8 2HG2 THR 2 HG22 THR 2 4.528 9.891 1.662 9 3HG2 THR 2 HG23 THR 2 4.843 8.410 0.757 10 H ASP 3 HN ASP 3 8.986 7.291 0.156 11 HA ASP 3 HA ASP 3 7.113 5.225 -0.752 12 1HB ASP 3 HB2 ASP 3 9.091 6.937 -2.067 13 2HB ASP 3 HB1 ASP 3 9.194 5.251 -2.567 14 H VAL 4 HN VAL 4 7.537 3.108 -0.541 15 HA VAL 4 HA VAL 4 10.260 2.223 0.032 16 HB VAL 4 HB VAL 4 8.149 1.000 1.727 17 1HG1 VAL 4 HG11 VAL 4 10.116 -0.032 2.179 18 2HG1 VAL 4 HG12 VAL 4 10.278 1.312 3.310 19 3HG1 VAL 4 HG13 VAL 4 11.082 1.378 1.741 20 1HG2 VAL 4 HG21 VAL 4 7.554 3.189 2.268 21 2HG2 VAL 4 HG22 VAL 4 9.211 3.775 2.129 22 3HG2 VAL 4 HG23 VAL 4 8.743 2.773 3.502 23 H THR 5 HN THR 5 10.177 -0.331 0.217 24 HA THR 5 HA THR 5 8.847 -1.162 -2.221 25 HB THR 5 HB THR 5 10.128 -3.244 -1.966 26 HG1 THR 5 HG1 THR 5 11.162 -2.105 0.411 27 1HG2 THR 5 HG21 THR 5 11.205 -1.019 -2.781 28 2HG2 THR 5 HG22 THR 5 12.207 -2.437 -2.473 29 3HG2 THR 5 HG23 THR 5 12.117 -1.144 -1.277 30 H ILE 6 HN ILE 6 7.065 -2.116 -2.357 31 HA ILE 6 HA ILE 6 5.342 -2.697 -0.245 32 HB ILE 6 HB ILE 6 4.053 -2.532 -2.095 33 1HG1 ILE 6 HG12 ILE 6 3.552 -4.802 -3.172 34 2HG1 ILE 6 HG11 ILE 6 4.767 -5.464 -2.096 35 1HG2 ILE 6 HG21 ILE 6 6.360 -3.669 -3.609 36 2HG2 ILE 6 HG22 ILE 6 5.660 -2.061 -3.720 37 3HG2 ILE 6 HG23 ILE 6 4.788 -3.450 -4.365 38 1HD1 ILE 6 HD11 ILE 6 3.223 -4.104 -0.341 39 2HD1 ILE 6 HD12 ILE 6 3.024 -5.809 -0.739 40 3HD1 ILE 6 HD13 ILE 6 2.028 -4.594 -1.538 41 H LYS 7 HN LYS 7 4.669 -4.559 0.640 42 HA LYS 7 HA LYS 7 4.646 -6.845 1.131 43 1HB LYS 7 HB2 LYS 7 6.111 -7.159 -1.030 44 2HB LYS 7 HB1 LYS 7 7.444 -7.224 0.111 45 1HG LYS 7 HG2 LYS 7 5.021 -9.005 0.234 46 2HG LYS 7 HG1 LYS 7 6.545 -9.443 -0.540 47 1HD LYS 7 HD2 LYS 7 7.550 -8.766 1.791 48 2HD LYS 7 HD1 LYS 7 5.910 -9.099 2.351 49 1HE LYS 7 HE2 LYS 7 7.703 -10.998 0.844 50 2HE LYS 7 HE1 LYS 7 7.316 -11.076 2.562 51 1HZ LYS 7 HZ1 LYS 7 5.022 -11.031 0.800 52 2HZ LYS 7 HZ2 LYS 7 5.329 -11.996 2.154 53 3HZ LYS 7 HZ3 LYS 7 5.993 -12.409 0.654 54 H THR 8 HN THR 8 8.074 -5.770 1.298 55 HA THR 8 HA THR 8 8.459 -6.573 3.964 56 HB THR 8 HB THR 8 9.994 -4.249 3.670 57 HG1 THR 8 HG1 THR 8 10.026 -5.595 1.187 58 1HG2 THR 8 HG21 THR 8 10.861 -6.956 2.702 59 2HG2 THR 8 HG22 THR 8 10.755 -6.518 4.407 60 3HG2 THR 8 HG23 THR 8 11.864 -5.654 3.342 61 H LEU 9 HN LEU 9 7.308 -3.664 2.446 62 HA LEU 9 HA LEU 9 6.690 -2.213 4.827 63 1HB LEU 9 HB2 LEU 9 6.713 -1.704 2.034 64 2HB LEU 9 HB1 LEU 9 5.079 -1.404 2.596 65 HG LEU 9 HG LEU 9 6.478 0.623 2.611 66 1HD1 LEU 9 HD11 LEU 9 4.640 0.594 4.117 67 2HD1 LEU 9 HD12 LEU 9 6.020 1.254 4.995 68 3HD1 LEU 9 HD13 LEU 9 5.517 -0.415 5.266 69 1HD2 LEU 9 HD21 LEU 9 8.011 -0.568 4.894 70 2HD2 LEU 9 HD22 LEU 9 8.377 0.869 3.942 71 3HD2 LEU 9 HD23 LEU 9 8.572 -0.732 3.230 72 H ALA 10 HN ALA 10 4.938 -4.175 2.471 73 HA ALA 10 HA ALA 10 2.348 -3.978 3.297 74 1HB ALA 10 HB1 ALA 10 1.946 -6.072 2.304 75 2HB ALA 10 HB2 ALA 10 3.572 -6.640 2.660 76 3HB ALA 10 HB3 ALA 10 3.317 -5.407 1.427 77 H ALA 11 HN ALA 11 4.841 -6.144 4.564 78 HA ALA 11 HA ALA 11 3.294 -7.264 6.647 79 1HB ALA 11 HB1 ALA 11 5.433 -8.206 5.692 80 2HB ALA 11 HB2 ALA 11 5.326 -8.199 7.453 81 3HB ALA 11 HB3 ALA 11 6.294 -6.981 6.623 82 H GLU 12 HN GLU 12 5.694 -4.635 6.554 83 HA GLU 12 HA GLU 12 5.963 -3.859 9.102 84 1HB GLU 12 HB2 GLU 12 5.504 -2.123 6.687 85 2HB GLU 12 HB1 GLU 12 5.860 -1.438 8.264 86 1HG GLU 12 HG2 GLU 12 7.664 -3.550 7.226 87 2HG GLU 12 HG1 GLU 12 7.749 -1.949 6.494 88 H ARG 13 HN ARG 13 3.320 -2.295 7.178 89 HA ARG 13 HA ARG 13 1.971 -1.598 9.586 90 1HB ARG 13 HB2 ARG 13 1.276 -1.451 6.691 91 2HB ARG 13 HB1 ARG 13 0.043 -1.160 7.905 92 1HG ARG 13 HG2 ARG 13 2.649 0.332 7.849 93 2HG ARG 13 HG1 ARG 13 1.208 0.881 6.993 94 1HD ARG 13 HD2 ARG 13 0.069 1.355 8.934 95 2HD ARG 13 HD1 ARG 13 0.996 0.194 9.884 96 HE ARG 13 HE ARG 13 2.814 2.101 9.170 97 1HH1 ARG 13 HH11 ARG 13 -0.254 2.130 10.833 98 2HH1 ARG 13 HH12 ARG 13 0.146 3.507 11.804 99 1HH2 ARG 13 HH21 ARG 13 3.341 3.910 10.446 100 2HH2 ARG 13 HH22 ARG 13 2.187 4.517 11.585 101 H GLN 14 HN GLN 14 1.430 -3.924 7.091 102 HA GLN 14 HA GLN 14 0.578 -6.057 7.166 103 1HB GLN 14 HB2 GLN 14 1.086 -5.622 9.839 104 2HB GLN 14 HB1 GLN 14 -0.640 -5.955 9.829 105 1HG GLN 14 HG2 GLN 14 0.366 -7.912 8.192 106 2HG GLN 14 HG1 GLN 14 1.616 -7.744 9.424 107 1HE2 GLN 14 HE21 GLN 14 1.348 -8.848 11.226 108 2HE2 GLN 14 HE22 GLN 14 -0.142 -9.510 11.801 109 H THR 15 HN THR 15 -1.339 -3.573 8.803 110 HA THR 15 HA THR 15 -3.684 -4.499 7.288 111 HB THR 15 HB THR 15 -4.076 -4.799 9.641 112 HG1 THR 15 HG1 THR 15 -5.367 -2.399 8.871 113 1HG2 THR 15 HG21 THR 15 -2.615 -3.460 10.823 114 2HG2 THR 15 HG22 THR 15 -4.169 -2.669 11.084 115 3HG2 THR 15 HG23 THR 15 -3.034 -2.014 9.904 116 H SER 16 HN SER 16 -1.391 -2.255 7.072 117 HA SER 16 HA SER 16 -3.285 -0.202 6.155 118 1HB SER 16 HB2 SER 16 -1.284 0.094 8.124 119 2HB SER 16 HB1 SER 16 -0.719 0.970 6.702 120 HG SER 16 HG SER 16 -3.006 1.386 8.265 121 H VAL 17 HN VAL 17 0.252 -0.170 5.673 122 HA VAL 17 HA VAL 17 -0.011 0.502 3.055 123 HB VAL 17 HB VAL 17 2.002 1.044 4.030 124 1HG1 VAL 17 HG11 VAL 17 3.600 -1.088 4.475 125 2HG1 VAL 17 HG12 VAL 17 2.033 -1.783 4.889 126 3HG1 VAL 17 HG13 VAL 17 2.604 -0.337 5.720 127 1HG2 VAL 17 HG21 VAL 17 2.050 0.339 1.610 128 2HG2 VAL 17 HG22 VAL 17 2.755 -1.186 2.147 129 3HG2 VAL 17 HG23 VAL 17 3.608 0.331 2.437 130 H GLU 18 HN GLU 18 0.552 -2.913 4.185 131 HA GLU 18 HA GLU 18 0.864 -4.058 1.696 132 1HB GLU 18 HB2 GLU 18 0.851 -5.405 3.737 133 2HB GLU 18 HB1 GLU 18 -0.849 -5.058 3.987 134 1HG GLU 18 HG2 GLU 18 -1.508 -6.411 2.193 135 2HG GLU 18 HG1 GLU 18 0.127 -6.481 1.538 136 H ARG 19 HN ARG 19 -2.208 -3.417 3.326 137 HA ARG 19 HA ARG 19 -3.947 -4.072 1.285 138 1HB ARG 19 HB2 ARG 19 -4.103 -2.770 3.823 139 2HB ARG 19 HB1 ARG 19 -5.063 -1.873 2.658 140 1HG ARG 19 HG2 ARG 19 -6.410 -3.521 3.822 141 2HG ARG 19 HG1 ARG 19 -6.301 -3.895 2.100 142 1HD ARG 19 HD2 ARG 19 -4.394 -5.452 2.706 143 2HD ARG 19 HD1 ARG 19 -4.870 -5.227 4.388 144 HE ARG 19 HE ARG 19 -7.071 -6.011 2.754 145 1HH1 ARG 19 HH11 ARG 19 -4.256 -7.227 4.422 146 2HH1 ARG 19 HH12 ARG 19 -4.905 -8.820 4.616 147 1HH2 ARG 19 HH21 ARG 19 -7.927 -8.108 3.010 148 2HH2 ARG 19 HH22 ARG 19 -6.989 -9.322 3.814 149 H LEU 20 HN LEU 20 -2.445 -1.031 2.043 150 HA LEU 20 HA LEU 20 -3.656 0.532 0.115 151 1HB LEU 20 HB2 LEU 20 -2.187 2.193 0.630 152 2HB LEU 20 HB1 LEU 20 -2.075 1.200 2.059 153 HG LEU 20 HG LEU 20 0.094 0.287 1.240 154 1HD1 LEU 20 HD11 LEU 20 0.846 2.207 -0.653 155 2HD1 LEU 20 HD12 LEU 20 -0.711 1.614 -1.204 156 3HD1 LEU 20 HD13 LEU 20 0.614 0.487 -0.928 157 1HD2 LEU 20 HD21 LEU 20 1.358 2.365 1.578 158 2HD2 LEU 20 HD22 LEU 20 0.059 2.165 2.751 159 3HD2 LEU 20 HD23 LEU 20 -0.136 3.277 1.406 160 H VAL 21 HN VAL 21 -0.689 -1.339 -0.164 161 HA VAL 21 HA VAL 21 0.116 -0.604 -2.650 162 HB VAL 21 HB VAL 21 0.233 -3.503 -1.929 163 1HG1 VAL 21 HG11 VAL 21 2.117 -3.508 -3.189 164 2HG1 VAL 21 HG12 VAL 21 2.556 -1.873 -2.737 165 3HG1 VAL 21 HG13 VAL 21 1.305 -2.143 -3.943 166 1HG2 VAL 21 HG21 VAL 21 1.180 -1.276 -0.271 167 2HG2 VAL 21 HG22 VAL 21 2.421 -2.462 -0.663 168 3HG2 VAL 21 HG23 VAL 21 0.938 -2.972 0.142 169 H GLN 22 HN GLN 22 -2.245 -3.189 -1.899 170 HA GLN 22 HA GLN 22 -2.646 -3.848 -4.617 171 1HB GLN 22 HB2 GLN 22 -3.383 -5.037 -2.348 172 2HB GLN 22 HB1 GLN 22 -4.903 -4.248 -2.746 173 1HG GLN 22 HG2 GLN 22 -4.269 -5.365 -5.128 174 2HG GLN 22 HG1 GLN 22 -3.574 -6.536 -4.008 175 1HE2 GLN 22 HE21 GLN 22 -5.054 -7.203 -2.207 176 2HE2 GLN 22 HE22 GLN 22 -6.712 -7.474 -2.612 177 H GLN 23 HN GLN 23 -5.059 -2.201 -2.588 178 HA GLN 23 HA GLN 23 -6.740 -1.462 -4.641 179 1HB GLN 23 HB2 GLN 23 -6.092 0.223 -2.214 180 2HB GLN 23 HB1 GLN 23 -7.556 0.314 -3.183 181 1HG GLN 23 HG2 GLN 23 -6.695 -1.804 -1.259 182 2HG GLN 23 HG1 GLN 23 -8.201 -0.892 -1.315 183 1HE2 GLN 23 HE21 GLN 23 -7.112 -3.857 -1.609 184 2HE2 GLN 23 HE22 GLN 23 -8.164 -4.492 -2.822 185 H PHE 24 HN PHE 24 -3.969 0.279 -3.378 186 HA PHE 24 HA PHE 24 -4.009 2.526 -4.916 187 1HB PHE 24 HB2 PHE 24 -1.881 1.115 -3.454 188 2HB PHE 24 HB1 PHE 24 -1.371 2.271 -4.684 189 HD1 PHE 24 HD1 PHE 24 -2.561 1.919 -1.370 190 HD2 PHE 24 HD2 PHE 24 -2.540 4.536 -4.707 191 HE1 PHE 24 HE1 PHE 24 -3.304 3.733 0.070 192 HE2 PHE 24 HE2 PHE 24 -3.271 6.379 -3.264 193 HZ PHE 24 HZ PHE 24 -3.714 5.956 -0.874 194 H ALA 25 HN ALA 25 -2.630 -0.614 -5.774 195 HA ALA 25 HA ALA 25 -1.398 0.042 -8.134 196 1HB ALA 25 HB1 ALA 25 -3.251 -2.303 -8.167 197 2HB ALA 25 HB2 ALA 25 -1.906 -2.314 -7.026 198 3HB ALA 25 HB3 ALA 25 -1.593 -2.181 -8.757 199 H ASP 26 HN ASP 26 -4.802 -0.494 -7.406 200 HA ASP 26 HA ASP 26 -5.825 0.209 -9.969 201 1HB ASP 26 HB2 ASP 26 -6.906 -0.609 -7.516 202 2HB ASP 26 HB1 ASP 26 -7.572 0.999 -7.782 203 H ALA 27 HN ALA 27 -5.322 2.099 -6.978 204 HA ALA 27 HA ALA 27 -6.218 4.604 -7.662 205 1HB ALA 27 HB1 ALA 27 -3.744 4.894 -6.277 206 2HB ALA 27 HB2 ALA 27 -4.648 3.525 -5.648 207 3HB ALA 27 HB3 ALA 27 -5.394 5.114 -5.703 208 H GLY 28 HN GLY 28 -2.767 3.990 -7.602 209 1HA GLY 28 HA2 GLY 28 -1.972 4.501 -10.202 210 2HA GLY 28 HA1 GLY 28 -2.093 6.074 -9.421 211 H ILE 29 HN ILE 29 -1.421 3.753 -7.175 212 HA ILE 29 HA ILE 29 1.401 4.448 -6.997 213 HB ILE 29 HB ILE 29 -0.745 3.870 -5.072 214 1HG1 ILE 29 HG12 ILE 29 0.703 5.330 -3.648 215 2HG1 ILE 29 HG11 ILE 29 1.859 5.382 -4.974 216 1HG2 ILE 29 HG21 ILE 29 0.503 2.845 -3.352 217 2HG2 ILE 29 HG22 ILE 29 1.997 2.943 -4.278 218 3HG2 ILE 29 HG23 ILE 29 0.716 1.839 -4.783 219 1HD1 ILE 29 HD11 ILE 29 0.587 6.786 -6.203 220 2HD1 ILE 29 HD12 ILE 29 -0.011 7.234 -4.604 221 3HD1 ILE 29 HD13 ILE 29 -0.931 6.111 -5.608 222 H ARG 30 HN ARG 30 2.619 2.295 -5.846 223 HA ARG 30 HA ARG 30 2.519 0.440 -8.037 224 1HB ARG 30 HB2 ARG 30 4.482 1.220 -6.344 225 2HB ARG 30 HB1 ARG 30 4.069 -0.348 -5.661 226 1HG ARG 30 HG2 ARG 30 5.816 -0.722 -7.205 227 2HG ARG 30 HG1 ARG 30 4.338 -1.297 -7.978 228 1HD ARG 30 HD2 ARG 30 5.632 -0.048 -9.582 229 2HD ARG 30 HD1 ARG 30 4.174 0.855 -9.180 230 HE ARG 30 HE ARG 30 5.473 2.441 -8.068 231 1HH1 ARG 30 HH11 ARG 30 7.455 -0.162 -9.299 232 2HH1 ARG 30 HH12 ARG 30 8.935 0.714 -9.111 233 1HH2 ARG 30 HH21 ARG 30 7.422 3.585 -7.820 234 2HH2 ARG 30 HH22 ARG 30 8.918 2.838 -8.270 235 H LYS 31 HN LYS 31 2.383 -1.873 -7.793 236 HA LYS 31 HA LYS 31 0.027 -2.589 -6.280 237 1HB LYS 31 HB2 LYS 31 -0.034 -4.582 -7.635 238 2HB LYS 31 HB1 LYS 31 0.246 -3.182 -8.661 239 1HG LYS 31 HG2 LYS 31 2.773 -3.862 -8.282 240 2HG LYS 31 HG1 LYS 31 2.045 -5.444 -7.999 241 1HD LYS 31 HD2 LYS 31 2.148 -5.676 -10.228 242 2HD LYS 31 HD1 LYS 31 0.741 -4.611 -10.254 243 1HE LYS 31 HE2 LYS 31 1.894 -3.004 -11.272 244 2HE LYS 31 HE1 LYS 31 3.178 -3.082 -10.066 245 1HZ LYS 31 HZ1 LYS 31 3.608 -3.664 -12.578 246 2HZ LYS 31 HZ2 LYS 31 3.074 -5.192 -12.088 247 3HZ LYS 31 HZ3 LYS 31 4.412 -4.483 -11.335 248 H SER 32 HN SER 32 -0.155 -4.738 -5.319 249 HA SER 32 HA SER 32 1.908 -5.096 -3.345 250 1HB SER 32 HB2 SER 32 -0.683 -5.095 -3.020 251 2HB SER 32 HB1 SER 32 -0.545 -6.792 -3.477 252 HG SER 32 HG SER 32 -0.224 -5.878 -1.113 253 H ALA 33 HN ALA 33 2.588 -7.207 -2.647 254 HA ALA 33 HA ALA 33 3.121 -9.457 -2.969 255 1HB ALA 33 HB1 ALA 33 1.489 -9.403 -4.994 256 2HB ALA 33 HB2 ALA 33 2.759 -10.624 -4.930 257 3HB ALA 33 HB3 ALA 33 2.959 -9.195 -5.944 258 H ASP 34 HN ASP 34 4.821 -7.385 -2.505 259 HA ASP 34 HA ASP 34 7.053 -6.895 -2.580 260 1HB ASP 34 HB2 ASP 34 6.996 -9.561 -3.043 261 2HB ASP 34 HB1 ASP 34 7.756 -9.005 -4.531 262 H ASP 35 HN ASP 35 7.555 -5.097 -3.566 263 HA ASP 35 HA ASP 35 8.492 -4.889 -6.192 264 1HB ASP 35 HB2 ASP 35 5.838 -5.198 -6.404 265 2HB ASP 35 HB1 ASP 35 5.871 -3.462 -6.117 266 H SER 36 HN SER 36 7.228 -2.067 -6.476 267 HA SER 36 HA SER 36 8.532 -0.870 -4.122 268 1HB SER 36 HB2 SER 36 9.984 -0.770 -6.217 269 2HB SER 36 HB1 SER 36 8.777 0.323 -6.893 270 HG SER 36 HG SER 36 9.997 0.795 -4.388 271 H VAL 37 HN VAL 37 6.630 -0.435 -3.148 272 HA VAL 37 HA VAL 37 4.719 1.338 -4.478 273 HB VAL 37 HB VAL 37 4.213 -0.986 -3.317 274 1HG1 VAL 37 HG11 VAL 37 5.054 -0.159 -1.111 275 2HG1 VAL 37 HG12 VAL 37 3.412 -0.806 -1.083 276 3HG1 VAL 37 HG13 VAL 37 3.672 0.938 -1.068 277 1HG2 VAL 37 HG21 VAL 37 2.045 0.811 -2.664 278 2HG2 VAL 37 HG22 VAL 37 2.146 -0.422 -3.915 279 3HG2 VAL 37 HG23 VAL 37 2.753 1.194 -4.232 280 H SER 38 HN SER 38 3.407 2.658 -2.777 281 HA SER 38 HA SER 38 5.377 4.174 -1.246 282 1HB SER 38 HB2 SER 38 2.791 4.912 -2.559 283 2HB SER 38 HB1 SER 38 3.402 5.891 -1.227 284 HG SER 38 HG SER 38 4.331 6.803 -2.945 285 H ALA 39 HN ALA 39 5.324 4.035 0.960 286 HA ALA 39 HA ALA 39 3.179 2.622 2.266 287 1HB ALA 39 HB1 ALA 39 5.575 3.893 3.570 288 2HB ALA 39 HB2 ALA 39 5.628 2.309 2.800 289 3HB ALA 39 HB3 ALA 39 4.570 2.580 4.184 290 H GLN 40 HN GLN 40 2.045 3.481 4.116 291 HA GLN 40 HA GLN 40 0.917 5.078 5.301 292 1HB GLN 40 HB2 GLN 40 3.359 6.360 4.724 293 2HB GLN 40 HB1 GLN 40 2.103 7.506 4.274 294 1HG GLN 40 HG2 GLN 40 1.114 6.923 6.606 295 2HG GLN 40 HG1 GLN 40 2.747 6.355 6.947 296 1HE2 GLN 40 HE21 GLN 40 4.476 7.983 6.201 297 2HE2 GLN 40 HE22 GLN 40 4.192 9.626 6.656 298 H GLU 41 HN GLU 41 1.005 4.637 2.091 299 HA GLU 41 HA GLU 41 -0.645 6.770 1.208 300 1HB GLU 41 HB2 GLU 41 0.395 4.254 0.017 301 2HB GLU 41 HB1 GLU 41 -1.011 4.997 -0.729 302 1HG GLU 41 HG2 GLU 41 1.608 6.386 -0.234 303 2HG GLU 41 HG1 GLU 41 1.115 5.669 -1.766 304 H LYS 42 HN LYS 42 -1.187 3.869 2.938 305 HA LYS 42 HA LYS 42 -3.551 2.829 2.296 306 1HB LYS 42 HB2 LYS 42 -2.388 2.307 4.378 307 2HB LYS 42 HB1 LYS 42 -2.874 3.855 5.056 308 1HG LYS 42 HG2 LYS 42 -5.075 2.168 4.083 309 2HG LYS 42 HG1 LYS 42 -4.182 1.531 5.465 310 1HD LYS 42 HD2 LYS 42 -4.514 4.142 6.178 311 2HD LYS 42 HD1 LYS 42 -6.004 3.822 5.288 312 1HE LYS 42 HE2 LYS 42 -6.712 2.222 6.783 313 2HE LYS 42 HE1 LYS 42 -5.076 1.849 7.322 314 1HZ LYS 42 HZ1 LYS 42 -6.676 4.251 8.009 315 2HZ LYS 42 HZ2 LYS 42 -5.044 4.060 8.407 316 3HZ LYS 42 HZ3 LYS 42 -6.199 3.009 9.055 317 H GLN 43 HN GLN 43 -3.195 6.125 3.502 318 HA GLN 43 HA GLN 43 -5.791 6.815 4.090 319 1HB GLN 43 HB2 GLN 43 -3.444 8.174 3.900 320 2HB GLN 43 HB1 GLN 43 -4.321 8.841 2.531 321 1HG GLN 43 HG2 GLN 43 -5.253 10.248 3.966 322 2HG GLN 43 HG1 GLN 43 -6.178 8.875 4.572 323 1HE2 GLN 43 HE21 GLN 43 -4.188 11.349 5.431 324 2HE2 GLN 43 HE22 GLN 43 -3.622 10.750 6.950 325 H THR 44 HN THR 44 -4.241 7.064 0.869 326 HA THR 44 HA THR 44 -6.675 7.796 -0.390 327 HB THR 44 HB THR 44 -4.868 6.759 -2.329 328 HG1 THR 44 HG1 THR 44 -3.692 8.595 -0.517 329 1HG2 THR 44 HG21 THR 44 -5.580 9.578 -1.589 330 2HG2 THR 44 HG22 THR 44 -6.395 8.563 -2.780 331 3HG2 THR 44 HG23 THR 44 -4.733 9.084 -3.056 332 H LEU 45 HN LEU 45 -4.942 4.741 0.018 333 HA LEU 45 HA LEU 45 -6.304 3.091 -1.701 334 1HB LEU 45 HB2 LEU 45 -5.087 1.559 -0.626 335 2HB LEU 45 HB1 LEU 45 -4.688 2.744 0.597 336 HG LEU 45 HG LEU 45 -6.755 2.060 1.839 337 1HD1 LEU 45 HD11 LEU 45 -6.904 -0.524 0.492 338 2HD1 LEU 45 HD12 LEU 45 -7.456 0.822 -0.505 339 3HD1 LEU 45 HD13 LEU 45 -8.194 0.532 1.070 340 1HD2 LEU 45 HD21 LEU 45 -5.131 -0.392 1.508 341 2HD2 LEU 45 HD22 LEU 45 -5.624 0.450 2.975 342 3HD2 LEU 45 HD23 LEU 45 -4.299 1.081 1.998 343 H ILE 46 HN ILE 46 -7.257 4.111 1.538 344 HA ILE 46 HA ILE 46 -9.786 2.915 1.626 345 HB ILE 46 HB ILE 46 -8.962 5.587 2.796 346 1HG1 ILE 46 HG12 ILE 46 -8.948 2.826 4.038 347 2HG1 ILE 46 HG11 ILE 46 -7.521 3.728 3.537 348 1HG2 ILE 46 HG21 ILE 46 -10.797 4.917 4.479 349 2HG2 ILE 46 HG22 ILE 46 -11.351 3.827 3.208 350 3HG2 ILE 46 HG23 ILE 46 -11.284 5.564 2.912 351 1HD1 ILE 46 HD11 ILE 46 -7.962 5.416 5.204 352 2HD1 ILE 46 HD12 ILE 46 -7.909 3.822 5.955 353 3HD1 ILE 46 HD13 ILE 46 -9.461 4.606 5.662 354 H ASP 47 HN ASP 47 -8.639 6.002 0.403 355 HA ASP 47 HA ASP 47 -10.909 7.245 -0.352 356 1HB ASP 47 HB2 ASP 47 -8.461 8.002 -0.555 357 2HB ASP 47 HB1 ASP 47 -8.561 7.338 -2.182 358 H HIS 48 HN HIS 48 -8.974 5.503 -2.821 359 HA HIS 48 HA HIS 48 -11.130 5.463 -4.637 360 1HB HIS 48 HB2 HIS 48 -9.741 3.779 -5.924 361 2HB HIS 48 HB1 HIS 48 -9.021 5.355 -5.646 362 HD1 HIS 48 HD1 HIS 48 -6.887 5.447 -4.250 363 HD2 HIS 48 HD2 HIS 48 -8.439 1.615 -4.647 364 HE1 HIS 48 HE1 HIS 48 -5.052 3.864 -3.556 365 HE2 HIS 48 HE2 HIS 48 -6.164 1.648 -3.448 366 H LEU 49 HN LEU 49 -9.827 2.861 -2.581 367 HA LEU 49 HA LEU 49 -11.380 0.773 -3.441 368 1HB LEU 49 HB2 LEU 49 -9.695 0.379 -1.810 369 2HB LEU 49 HB1 LEU 49 -10.450 1.473 -0.667 370 HG LEU 49 HG LEU 49 -12.054 -0.875 -1.515 371 1HD1 LEU 49 HD11 LEU 49 -9.551 -1.061 0.128 372 2HD1 LEU 49 HD12 LEU 49 -10.065 -2.069 -1.224 373 3HD1 LEU 49 HD13 LEU 49 -10.886 -2.195 0.331 374 1HD2 LEU 49 HD21 LEU 49 -12.245 -0.746 1.143 375 2HD2 LEU 49 HD22 LEU 49 -13.211 0.262 0.066 376 3HD2 LEU 49 HD23 LEU 49 -11.756 0.917 0.820 377 H ASN 50 HN ASN 50 -12.251 2.605 -0.504 378 HA ASN 50 HA ASN 50 -14.897 1.704 -0.413 379 1HB ASN 50 HB2 ASN 50 -13.304 3.189 1.236 380 2HB ASN 50 HB1 ASN 50 -14.440 4.408 0.665 381 1HD2 ASN 50 HD21 ASN 50 -16.440 4.456 1.487 382 2HD2 ASN 50 HD22 ASN 50 -17.069 3.312 2.619
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