NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16703 | 2al3 | 6761 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 10 H SER 10 -12.039 -12.793 -6.618 2 HA SER 10 HA SER 10 -11.189 -15.475 -7.365 3 1HB SER 10 1HB SER 10 -10.910 -12.772 -8.721 4 2HB SER 10 2HB SER 10 -9.896 -14.123 -9.188 5 HG SER 10 HG SER 10 -12.366 -15.124 -9.127 6 H ALA 11 H ALA 11 -8.923 -16.037 -7.213 7 HA ALA 11 HA ALA 11 -7.163 -14.076 -5.996 8 1HB ALA 11 1HB ALA 11 -8.560 -16.058 -4.467 9 2HB ALA 11 2HB ALA 11 -6.843 -16.522 -4.534 10 3HB ALA 11 3HB ALA 11 -7.307 -14.917 -3.920 11 H VAL 12 H VAL 12 -4.952 -14.519 -6.407 12 HA VAL 12 HA VAL 12 -4.530 -16.828 -8.178 13 HB VAL 12 HB VAL 12 -4.137 -14.009 -8.595 14 1HG1 VAL 12 1HG1 VAL 12 -1.651 -15.729 -8.591 15 2HG1 VAL 12 2HG1 VAL 12 -1.802 -14.289 -9.626 16 3HG1 VAL 12 3HG1 VAL 12 -1.903 -14.128 -7.856 17 1HG2 VAL 12 1HG2 VAL 12 -5.149 -15.263 -10.304 18 2HG2 VAL 12 2HG2 VAL 12 -3.515 -14.922 -10.924 19 3HG2 VAL 12 3HG2 VAL 12 -3.894 -16.525 -10.249 20 H SER 13 H SER 13 -2.589 -18.015 -7.902 21 HA SER 13 HA SER 13 -1.042 -17.207 -5.572 22 1HB SER 13 1HB SER 13 -2.718 -19.104 -5.116 23 2HB SER 13 2HB SER 13 -1.768 -20.097 -6.204 24 HG SER 13 HG SER 13 -1.278 -20.148 -3.781 25 H VAL 14 H VAL 14 1.209 -17.478 -5.792 26 HA VAL 14 HA VAL 14 2.068 -18.692 -8.328 27 HB VAL 14 HB VAL 14 3.720 -16.589 -7.046 28 1HG1 VAL 14 1HG1 VAL 14 3.233 -17.747 -9.725 29 2HG1 VAL 14 2HG1 VAL 14 3.527 -15.992 -9.700 30 3HG1 VAL 14 3HG1 VAL 14 4.728 -17.106 -9.002 31 1HG2 VAL 14 1HG2 VAL 14 1.042 -16.024 -8.341 32 2HG2 VAL 14 2HG2 VAL 14 1.651 -15.467 -6.764 33 3HG2 VAL 14 3HG2 VAL 14 2.349 -14.818 -8.267 34 H LEU 15 H LEU 15 3.199 -20.531 -8.006 35 HA LEU 15 HA LEU 15 4.515 -20.836 -5.407 36 1HB LEU 15 1HB LEU 15 4.191 -23.108 -5.564 37 2HB LEU 15 2HB LEU 15 2.708 -22.441 -6.217 38 HG LEU 15 HG LEU 15 4.091 -22.734 -8.515 39 1HD1 LEU 15 1HD1 LEU 15 5.960 -23.767 -6.987 40 2HD1 LEU 15 2HD1 LEU 15 4.945 -25.225 -7.088 41 3HD1 LEU 15 3HD1 LEU 15 5.582 -24.480 -8.574 42 1HD2 LEU 15 1HD2 LEU 15 2.359 -24.045 -8.975 43 2HD2 LEU 15 2HD2 LEU 15 2.916 -25.290 -7.831 44 3HD2 LEU 15 3HD2 LEU 15 1.904 -23.943 -7.257 45 H ALA 16 H ALA 16 6.613 -20.231 -5.439 46 HA ALA 16 HA ALA 16 8.072 -20.322 -7.922 47 1HB ALA 16 1HB ALA 16 9.498 -18.856 -6.888 48 2HB ALA 16 2HB ALA 16 8.091 -18.617 -5.824 49 3HB ALA 16 3HB ALA 16 9.410 -19.704 -5.325 50 HA PRO 17 HA PRO 17 9.682 -24.276 -7.089 51 1HB PRO 17 1HB PRO 17 11.411 -24.451 -9.198 52 2HB PRO 17 2HB PRO 17 9.702 -24.816 -9.327 53 1HG PRO 17 1HG PRO 17 11.165 -22.430 -10.278 54 2HG PRO 17 2HG PRO 17 9.581 -23.009 -10.755 55 1HD PRO 17 1HD PRO 17 10.148 -20.817 -8.994 56 2HD PRO 17 2HD PRO 17 8.568 -21.469 -9.380 57 H ASN 18 H ASN 18 11.290 -21.387 -6.807 58 HA ASN 18 HA ASN 18 13.830 -22.520 -6.264 59 1HB ASN 18 1HB ASN 18 14.463 -20.230 -5.636 60 2HB ASN 18 2HB ASN 18 13.479 -20.152 -7.083 61 1HD2 ASN 18 2HD2 ASN 18 12.979 -18.000 -6.590 62 2HD2 ASN 18 1HD2 ASN 18 11.791 -17.571 -5.405 63 H GLY 19 H GLY 19 10.942 -22.793 -4.686 64 1HA GLY 19 1HA GLY 19 10.712 -23.785 -2.591 65 2HA GLY 19 2HA GLY 19 12.227 -23.075 -2.067 66 H ARG 20 H ARG 20 10.172 -20.910 -3.869 67 HA ARG 20 HA ARG 20 9.394 -19.702 -1.338 68 1HB ARG 20 1HB ARG 20 10.221 -18.524 -4.008 69 2HB ARG 20 2HB ARG 20 9.175 -17.591 -2.956 70 1HG ARG 20 1HG ARG 20 11.623 -18.837 -1.719 71 2HG ARG 20 2HG ARG 20 11.869 -17.467 -2.785 72 1HD ARG 20 1HD ARG 20 11.024 -15.986 -1.261 73 2HD ARG 20 2HD ARG 20 9.643 -17.004 -0.906 74 HE ARG 20 HE ARG 20 12.195 -17.971 0.206 75 1HH1 ARG 20 2HH2 ARG 20 9.293 -16.061 0.765 76 2HH1 ARG 20 1HH2 ARG 20 9.417 -16.143 2.491 77 1HH2 ARG 20 2HH1 ARG 20 12.359 -18.080 2.483 78 2HH2 ARG 20 1HH1 ARG 20 11.173 -17.299 3.475 79 H ARG 21 H ARG 21 7.218 -19.935 -0.926 80 HA ARG 21 HA ARG 21 5.493 -20.127 -3.259 81 1HB ARG 21 1HB ARG 21 5.722 -21.774 -0.947 82 2HB ARG 21 2HB ARG 21 4.224 -20.891 -0.726 83 1HG ARG 21 1HG ARG 21 3.193 -21.891 -2.545 84 2HG ARG 21 2HG ARG 21 4.677 -21.995 -3.472 85 1HD ARG 21 1HD ARG 21 4.429 -24.245 -2.960 86 2HD ARG 21 2HD ARG 21 5.349 -23.758 -1.551 87 HE ARG 21 HE ARG 21 2.477 -23.418 -1.161 88 1HH1 ARG 21 2HH2 ARG 21 5.111 -25.748 -1.044 89 2HH1 ARG 21 1HH2 ARG 21 4.308 -26.792 0.080 90 1HH2 ARG 21 2HH1 ARG 21 1.417 -24.795 0.322 91 2HH2 ARG 21 1HH1 ARG 21 2.192 -26.246 0.863 92 H HIS 22 H HIS 22 4.293 -18.294 -3.655 93 HA HIS 22 HA HIS 22 3.255 -16.859 -1.347 94 1HB HIS 22 1HB HIS 22 3.921 -14.710 -2.211 95 2HB HIS 22 2HB HIS 22 5.336 -15.719 -1.982 96 HD1 HIS 22 HD1 HIS 22 5.684 -17.241 -4.513 97 HD2 HIS 22 HD2 HIS 22 4.283 -13.287 -4.500 98 HE1 HIS 22 HE1 HIS 22 6.158 -16.307 -6.840 99 H THR 23 H THR 23 1.179 -16.031 -1.663 100 HA THR 23 HA THR 23 0.058 -16.501 -4.349 101 HB THR 23 HB THR 23 -0.749 -18.190 -2.746 102 HG1 THR 23 HG1 THR 23 -2.833 -17.710 -3.404 103 1HG2 THR 23 1HG2 THR 23 -1.786 -15.836 -1.088 104 2HG2 THR 23 2HG2 THR 23 -1.940 -17.568 -0.707 105 3HG2 THR 23 3HG2 THR 23 -0.345 -16.781 -0.640 106 H VAL 24 H VAL 24 -0.973 -14.854 -5.338 107 HA VAL 24 HA VAL 24 -1.427 -12.466 -3.685 108 HB VAL 24 HB VAL 24 -0.400 -12.718 -6.515 109 1HG1 VAL 24 1HG1 VAL 24 -2.149 -10.871 -6.093 110 2HG1 VAL 24 2HG1 VAL 24 -0.895 -10.100 -5.093 111 3HG1 VAL 24 3HG1 VAL 24 -0.595 -10.399 -6.822 112 1HG2 VAL 24 1HG2 VAL 24 1.376 -11.130 -5.332 113 2HG2 VAL 24 2HG2 VAL 24 0.799 -11.976 -3.876 114 3HG2 VAL 24 3HG2 VAL 24 1.491 -12.904 -5.229 115 H LYS 25 H LYS 25 -3.502 -11.755 -3.630 116 HA LYS 25 HA LYS 25 -5.420 -13.165 -5.259 117 1HB LYS 25 1HB LYS 25 -7.070 -11.936 -3.865 118 2HB LYS 25 2HB LYS 25 -5.941 -12.899 -2.934 119 1HG LYS 25 1HG LYS 25 -5.124 -10.063 -3.464 120 2HG LYS 25 2HG LYS 25 -6.489 -10.280 -2.386 121 1HD LYS 25 1HD LYS 25 -4.631 -12.216 -1.518 122 2HD LYS 25 2HD LYS 25 -3.635 -10.830 -1.915 123 1HE LYS 25 1HE LYS 25 -5.928 -9.810 -0.527 124 2HE LYS 25 2HE LYS 25 -5.386 -11.212 0.374 125 1HZ LYS 25 1HZ LYS 25 -4.113 -8.695 0.042 126 2HZ LYS 25 2HZ LYS 25 -3.888 -9.829 1.196 127 3HZ LYS 25 3HZ LYS 25 -3.096 -9.944 -0.228 128 H VAL 26 H VAL 26 -6.021 -12.499 -7.242 129 HA VAL 26 HA VAL 26 -5.854 -9.612 -7.765 130 HB VAL 26 HB VAL 26 -5.051 -10.024 -9.928 131 1HG1 VAL 26 1HG1 VAL 26 -3.679 -11.823 -7.915 132 2HG1 VAL 26 2HG1 VAL 26 -3.019 -11.511 -9.539 133 3HG1 VAL 26 3HG1 VAL 26 -3.244 -10.165 -8.396 134 1HG2 VAL 26 1HG2 VAL 26 -6.106 -11.741 -10.967 135 2HG2 VAL 26 2HG2 VAL 26 -4.657 -12.647 -10.468 136 3HG2 VAL 26 3HG2 VAL 26 -6.148 -12.749 -9.500 137 H THR 27 H THR 27 -7.325 -9.016 -9.723 138 HA THR 27 HA THR 27 -9.922 -10.212 -9.158 139 HB THR 27 HB THR 27 -9.758 -7.952 -11.062 140 HG1 THR 27 HG1 THR 27 -8.795 -6.558 -9.433 141 1HG2 THR 27 1HG2 THR 27 -10.805 -7.253 -8.459 142 2HG2 THR 27 2HG2 THR 27 -11.710 -7.488 -9.974 143 3HG2 THR 27 3HG2 THR 27 -11.422 -8.867 -8.886 144 HA PRO 28 HA PRO 28 -10.141 -12.393 -12.845 145 1HB PRO 28 1HB PRO 28 -12.836 -12.485 -13.284 146 2HB PRO 28 2HB PRO 28 -12.015 -13.533 -12.145 147 1HG PRO 28 1HG PRO 28 -13.711 -11.174 -11.601 148 2HG PRO 28 2HG PRO 28 -13.240 -12.463 -10.511 149 1HD PRO 28 1HD PRO 28 -12.159 -9.807 -10.597 150 2HD PRO 28 2HD PRO 28 -11.610 -11.129 -9.587 151 H SER 29 H SER 29 -11.048 -9.171 -12.692 152 HA SER 29 HA SER 29 -11.254 -9.133 -15.598 153 1HB SER 29 1HB SER 29 -12.191 -6.757 -15.144 154 2HB SER 29 2HB SER 29 -13.215 -8.125 -14.755 155 HG SER 29 HG SER 29 -11.477 -6.949 -12.777 156 H THR 30 H THR 30 -9.036 -8.806 -13.145 157 HA THR 30 HA THR 30 -7.732 -6.417 -14.173 158 HB THR 30 HB THR 30 -7.436 -8.273 -11.787 159 HG1 THR 30 HG1 THR 30 -7.689 -5.424 -12.434 160 1HG2 THR 30 1HG2 THR 30 -5.345 -7.379 -11.183 161 2HG2 THR 30 2HG2 THR 30 -5.125 -7.540 -12.942 162 3HG2 THR 30 3HG2 THR 30 -5.539 -5.959 -12.238 163 H VAL 31 H VAL 31 -5.821 -6.340 -15.308 164 HA VAL 31 HA VAL 31 -5.225 -8.719 -16.782 165 HB VAL 31 HB VAL 31 -3.451 -7.148 -17.755 166 1HG1 VAL 31 1HG1 VAL 31 -5.835 -5.685 -18.397 167 2HG1 VAL 31 2HG1 VAL 31 -4.993 -6.931 -19.350 168 3HG1 VAL 31 3HG1 VAL 31 -6.252 -7.402 -18.184 169 1HG2 VAL 31 1HG2 VAL 31 -5.053 -4.902 -16.582 170 2HG2 VAL 31 2HG2 VAL 31 -3.751 -5.629 -15.608 171 3HG2 VAL 31 3HG2 VAL 31 -3.382 -4.916 -17.197 172 H LEU 32 H LEU 32 -3.625 -10.191 -16.413 173 HA LEU 32 HA LEU 32 -2.347 -10.261 -13.953 174 1HB LEU 32 1HB LEU 32 -1.988 -11.701 -16.559 175 2HB LEU 32 2HB LEU 32 -0.863 -11.968 -15.242 176 HG LEU 32 HG LEU 32 -2.970 -13.510 -15.595 177 1HD1 LEU 32 1HD1 LEU 32 -2.364 -14.412 -13.644 178 2HD1 LEU 32 2HD1 LEU 32 -1.179 -13.086 -13.550 179 3HD1 LEU 32 3HD1 LEU 32 -2.752 -12.934 -12.731 180 1HD2 LEU 32 1HD2 LEU 32 -4.112 -11.207 -13.995 181 2HD2 LEU 32 2HD2 LEU 32 -4.678 -11.828 -15.563 182 3HD2 LEU 32 3HD2 LEU 32 -4.844 -12.826 -14.099 183 H LEU 33 H LEU 33 -1.631 -8.465 -16.857 184 HA LEU 33 HA LEU 33 1.145 -8.250 -16.555 185 1HB LEU 33 1HB LEU 33 0.997 -6.466 -18.118 186 2HB LEU 33 2HB LEU 33 -0.113 -7.734 -18.600 187 HG LEU 33 HG LEU 33 -1.826 -6.194 -17.203 188 1HD1 LEU 33 1HD1 LEU 33 -0.081 -4.545 -16.628 189 2HD1 LEU 33 2HD1 LEU 33 0.149 -4.209 -18.361 190 3HD1 LEU 33 3HD1 LEU 33 -1.408 -3.839 -17.582 191 1HD2 LEU 33 1HD2 LEU 33 -1.497 -6.927 -19.808 192 2HD2 LEU 33 2HD2 LEU 33 -2.826 -5.915 -19.192 193 3HD2 LEU 33 3HD2 LEU 33 -1.393 -5.153 -19.925 194 H GLN 34 H GLN 34 -1.620 -6.302 -15.286 195 HA GLN 34 HA GLN 34 0.039 -4.410 -14.068 196 1HB GLN 34 1HB GLN 34 -1.945 -3.484 -13.208 197 2HB GLN 34 2HB GLN 34 -2.495 -4.290 -14.664 198 1HG GLN 34 1HG GLN 34 -4.064 -5.118 -13.163 199 2HG GLN 34 2HG GLN 34 -2.842 -6.364 -13.010 200 1HE2 GLN 34 2HE2 GLN 34 -4.360 -3.599 -11.561 201 2HE2 GLN 34 1HE2 GLN 34 -3.712 -3.756 -9.962 202 H VAL 35 H VAL 35 -1.416 -7.516 -13.008 203 HA VAL 35 HA VAL 35 -0.670 -7.185 -10.286 204 HB VAL 35 HB VAL 35 -1.713 -9.170 -9.959 205 1HG1 VAL 35 1HG1 VAL 35 -3.097 -7.580 -11.478 206 2HG1 VAL 35 2HG1 VAL 35 -2.821 -8.805 -12.740 207 3HG1 VAL 35 3HG1 VAL 35 -3.665 -9.249 -11.236 208 1HG2 VAL 35 1HG2 VAL 35 -1.634 -11.113 -11.394 209 2HG2 VAL 35 2HG2 VAL 35 -0.884 -10.168 -12.704 210 3HG2 VAL 35 3HG2 VAL 35 0.017 -10.475 -11.200 211 H LEU 36 H LEU 36 0.673 -9.042 -13.098 212 HA LEU 36 HA LEU 36 2.840 -10.092 -11.679 213 1HB LEU 36 1HB LEU 36 2.066 -11.049 -13.739 214 2HB LEU 36 2HB LEU 36 2.393 -9.567 -14.617 215 HG LEU 36 HG LEU 36 4.759 -9.863 -14.434 216 1HD1 LEU 36 1HD1 LEU 36 4.227 -12.256 -12.652 217 2HD1 LEU 36 2HD1 LEU 36 5.817 -11.677 -13.205 218 3HD1 LEU 36 3HD1 LEU 36 4.833 -10.671 -12.115 219 1HD2 LEU 36 1HD2 LEU 36 3.106 -12.126 -15.411 220 2HD2 LEU 36 2HD2 LEU 36 4.257 -11.078 -16.274 221 3HD2 LEU 36 3HD2 LEU 36 4.856 -12.416 -15.264 222 H GLU 37 H GLU 37 2.370 -7.032 -13.514 223 HA GLU 37 HA GLU 37 5.053 -6.273 -13.347 224 1HB GLU 37 1HB GLU 37 2.476 -4.729 -13.822 225 2HB GLU 37 2HB GLU 37 4.039 -3.937 -13.821 226 1HG GLU 37 1HG GLU 37 3.771 -6.420 -15.499 227 2HG GLU 37 2HG GLU 37 2.940 -4.985 -16.066 228 H ASP 38 H ASP 38 2.193 -5.810 -11.233 229 HA ASP 38 HA ASP 38 3.348 -3.886 -9.597 230 1HB ASP 38 1HB ASP 38 1.009 -5.720 -9.535 231 2HB ASP 38 2HB ASP 38 1.609 -5.299 -7.943 232 H THR 39 H THR 39 2.899 -7.488 -9.232 233 HA THR 39 HA THR 39 4.343 -7.694 -6.828 234 HB THR 39 HB THR 39 2.631 -9.304 -7.992 235 HG1 THR 39 HG1 THR 39 5.238 -10.110 -6.908 236 1HG2 THR 39 1HG2 THR 39 3.352 -10.658 -9.700 237 2HG2 THR 39 2HG2 THR 39 4.661 -9.474 -9.929 238 3HG2 THR 39 3HG2 THR 39 4.931 -10.914 -8.919 239 H CYS 40 H CYS 40 5.330 -7.679 -10.253 240 HA CYS 40 HA CYS 40 7.909 -8.684 -9.771 241 1HB CYS 40 1HB CYS 40 6.598 -7.215 -12.047 242 2HB CYS 40 2HB CYS 40 8.337 -7.436 -12.044 243 HG CYS 40 HG CYS 40 7.391 -9.318 -13.509 244 H ARG 41 H ARG 41 6.359 -5.449 -9.722 245 HA ARG 41 HA ARG 41 8.724 -3.996 -9.639 246 1HB ARG 41 1HB ARG 41 7.272 -2.231 -9.663 247 2HB ARG 41 2HB ARG 41 5.990 -3.423 -9.744 248 1HG ARG 41 1HG ARG 41 5.784 -3.446 -7.288 249 2HG ARG 41 2HG ARG 41 7.171 -2.388 -7.124 250 1HD ARG 41 1HD ARG 41 5.208 -1.201 -8.942 251 2HD ARG 41 2HD ARG 41 4.448 -1.616 -7.418 252 HE ARG 41 HE ARG 41 6.476 -0.360 -6.362 253 1HH1 ARG 41 2HH2 ARG 41 5.058 0.454 -9.478 254 2HH1 ARG 41 1HH2 ARG 41 5.526 2.120 -9.400 255 1HH2 ARG 41 2HH1 ARG 41 7.094 1.837 -6.258 256 2HH2 ARG 41 1HH1 ARG 41 6.692 2.912 -7.556 257 H ARG 42 H ARG 42 6.476 -5.199 -7.056 258 HA ARG 42 HA ARG 42 8.047 -4.114 -4.994 259 1HB ARG 42 1HB ARG 42 6.574 -5.831 -3.608 260 2HB ARG 42 2HB ARG 42 5.809 -4.441 -4.351 261 1HG ARG 42 1HG ARG 42 5.881 -6.494 -6.350 262 2HG ARG 42 2HG ARG 42 5.345 -7.261 -4.869 263 1HD ARG 42 1HD ARG 42 4.132 -4.646 -5.867 264 2HD ARG 42 2HD ARG 42 3.510 -6.209 -6.359 265 HE ARG 42 HE ARG 42 3.565 -6.458 -3.623 266 1HH1 ARG 42 2HH2 ARG 42 2.265 -3.979 -5.756 267 2HH1 ARG 42 1HH2 ARG 42 1.001 -3.522 -4.663 268 1HH2 ARG 42 2HH1 ARG 42 1.898 -5.855 -2.182 269 2HH2 ARG 42 1HH1 ARG 42 0.790 -4.596 -2.617 270 H GLN 43 H GLN 43 7.805 -7.270 -6.676 271 HA GLN 43 HA GLN 43 9.714 -8.407 -4.830 272 1HB GLN 43 1HB GLN 43 9.065 -10.508 -5.637 273 2HB GLN 43 2HB GLN 43 7.580 -9.591 -5.790 274 1HG GLN 43 1HG GLN 43 8.620 -9.023 -8.220 275 2HG GLN 43 2HG GLN 43 9.462 -10.534 -7.944 276 1HE2 GLN 43 2HE2 GLN 43 8.056 -10.892 -9.937 277 2HE2 GLN 43 1HE2 GLN 43 6.508 -11.629 -9.684 278 H ASP 44 H ASP 44 10.126 -6.226 -7.079 279 HA ASP 44 HA ASP 44 11.474 -5.839 -8.786 280 1HB ASP 44 1HB ASP 44 13.922 -6.323 -8.148 281 2HB ASP 44 2HB ASP 44 12.993 -5.366 -7.012 282 H PHE 45 H PHE 45 10.308 -7.670 -10.080 283 HA PHE 45 HA PHE 45 12.303 -9.701 -10.780 284 1HB PHE 45 1HB PHE 45 9.474 -9.870 -9.839 285 2HB PHE 45 2HB PHE 45 9.728 -10.742 -11.338 286 HD1 PHE 45 HD1 PHE 45 9.516 -12.961 -10.595 287 HD2 PHE 45 HD2 PHE 45 12.188 -10.343 -8.591 288 HE1 PHE 45 HE1 PHE 45 10.451 -14.902 -9.307 289 HE2 PHE 45 HE2 PHE 45 13.123 -12.284 -7.304 290 HZ PHE 45 HZ PHE 45 12.244 -14.540 -7.677 291 H ASN 46 H ASN 46 12.030 -10.565 -13.024 292 HA ASN 46 HA ASN 46 10.714 -8.573 -14.699 293 1HB ASN 46 1HB ASN 46 13.485 -9.669 -14.748 294 2HB ASN 46 2HB ASN 46 12.696 -9.700 -16.313 295 1HD2 ASN 46 2HD2 ASN 46 13.558 -8.081 -17.396 296 2HD2 ASN 46 1HD2 ASN 46 13.618 -6.422 -16.904 297 HA PRO 47 HA PRO 47 8.807 -12.131 -16.425 298 1HB PRO 47 1HB PRO 47 7.852 -11.113 -18.774 299 2HB PRO 47 2HB PRO 47 7.043 -10.892 -17.235 300 1HG PRO 47 1HG PRO 47 8.634 -8.944 -18.789 301 2HG PRO 47 2HG PRO 47 7.486 -8.644 -17.498 302 1HD PRO 47 1HD PRO 47 10.347 -8.572 -17.302 303 2HD PRO 47 2HD PRO 47 9.202 -8.387 -15.989 304 H SER 48 H SER 48 11.067 -10.385 -18.431 305 HA SER 48 HA SER 48 11.356 -12.419 -20.300 306 1HB SER 48 1HB SER 48 12.141 -10.246 -20.891 307 2HB SER 48 2HB SER 48 13.096 -10.092 -19.430 308 HG SER 48 HG SER 48 14.405 -10.560 -21.323 309 H GLU 49 H GLU 49 12.101 -12.375 -16.995 310 HA GLU 49 HA GLU 49 14.118 -14.440 -17.419 311 1HB GLU 49 1HB GLU 49 13.997 -12.296 -15.261 312 2HB GLU 49 2HB GLU 49 15.005 -13.722 -15.111 313 1HG GLU 49 1HG GLU 49 15.466 -12.638 -17.734 314 2HG GLU 49 2HG GLU 49 15.523 -11.297 -16.608 315 H TYR 50 H TYR 50 10.970 -13.801 -16.548 316 HA TYR 50 HA TYR 50 10.857 -16.246 -14.962 317 1HB TYR 50 1HB TYR 50 9.745 -13.449 -14.312 318 2HB TYR 50 2HB TYR 50 9.170 -14.887 -13.492 319 HD1 TYR 50 HD1 TYR 50 10.970 -12.189 -12.791 320 HD2 TYR 50 HD2 TYR 50 11.584 -16.420 -12.936 321 HE1 TYR 50 HE1 TYR 50 12.852 -11.981 -11.094 322 HE2 TYR 50 HE2 TYR 50 13.464 -16.198 -11.239 323 HH TYR 50 HH TYR 50 13.947 -13.375 -9.444 324 H ASP 51 H ASP 51 9.013 -17.474 -15.344 325 HA ASP 51 HA ASP 51 7.030 -16.200 -17.055 326 1HB ASP 51 1HB ASP 51 8.622 -18.699 -17.472 327 2HB ASP 51 2HB ASP 51 6.915 -18.833 -17.843 328 H LEU 52 H LEU 52 4.831 -17.045 -16.721 329 HA LEU 52 HA LEU 52 4.599 -18.795 -14.373 330 1HB LEU 52 1HB LEU 52 2.600 -16.657 -15.037 331 2HB LEU 52 2HB LEU 52 2.832 -17.525 -13.532 332 HG LEU 52 HG LEU 52 3.674 -15.450 -13.009 333 1HD1 LEU 52 1HD1 LEU 52 6.351 -16.132 -13.947 334 2HD1 LEU 52 2HD1 LEU 52 5.709 -16.003 -12.291 335 3HD1 LEU 52 3HD1 LEU 52 5.509 -17.516 -13.208 336 1HD2 LEU 52 1HD2 LEU 52 4.422 -15.308 -15.892 337 2HD2 LEU 52 2HD2 LEU 52 3.597 -14.120 -14.855 338 3HD2 LEU 52 3HD2 LEU 52 5.360 -14.332 -14.736 339 H LYS 53 H LYS 53 3.201 -20.524 -14.543 340 HA LYS 53 HA LYS 53 1.353 -20.585 -16.767 341 1HB LYS 53 1HB LYS 53 3.499 -21.399 -17.723 342 2HB LYS 53 2HB LYS 53 3.545 -22.667 -16.514 343 1HG LYS 53 1HG LYS 53 1.034 -22.387 -18.164 344 2HG LYS 53 2HG LYS 53 2.451 -23.065 -18.941 345 1HD LYS 53 1HD LYS 53 1.531 -24.108 -16.239 346 2HD LYS 53 2HD LYS 53 0.780 -24.682 -17.715 347 1HE LYS 53 1HE LYS 53 3.802 -24.675 -17.514 348 2HE LYS 53 2HE LYS 53 2.900 -25.939 -16.701 349 1HZ LYS 53 1HZ LYS 53 3.236 -25.473 -19.515 350 2HZ LYS 53 2HZ LYS 53 3.038 -26.878 -18.707 351 3HZ LYS 53 3HZ LYS 53 1.741 -25.954 -19.068 352 H PHE 54 H PHE 54 -0.468 -21.799 -16.297 353 HA PHE 54 HA PHE 54 -0.333 -23.340 -13.805 354 1HB PHE 54 1HB PHE 54 -1.782 -21.718 -13.000 355 2HB PHE 54 2HB PHE 54 -1.850 -20.946 -14.571 356 HD1 PHE 54 HD1 PHE 54 -3.249 -23.888 -12.753 357 HD2 PHE 54 HD2 PHE 54 -3.860 -20.915 -15.719 358 HE1 PHE 54 HE1 PHE 54 -5.627 -24.646 -13.023 359 HE2 PHE 54 HE2 PHE 54 -6.237 -21.672 -15.989 360 HZ PHE 54 HZ PHE 54 -7.092 -23.529 -14.638 361 H GLN 55 H GLN 55 -0.690 -25.453 -14.282 362 HA GLN 55 HA GLN 55 -1.510 -27.253 -15.174 363 1HB GLN 55 1HB GLN 55 -3.678 -26.337 -14.349 364 2HB GLN 55 2HB GLN 55 -3.928 -25.534 -15.886 365 1HG GLN 55 1HG GLN 55 -4.149 -27.613 -17.069 366 2HG GLN 55 2HG GLN 55 -3.455 -28.535 -15.751 367 1HE2 GLN 55 2HE2 GLN 55 -6.194 -28.060 -17.301 368 2HE2 GLN 55 1HE2 GLN 55 -7.382 -28.244 -16.053 369 H ARG 56 H ARG 56 -3.581 -25.903 -17.613 370 HA ARG 56 HA ARG 56 -1.494 -26.458 -19.561 371 1HB ARG 56 1HB ARG 56 -4.517 -26.778 -19.623 372 2HB ARG 56 2HB ARG 56 -3.622 -26.658 -21.125 373 1HG ARG 56 1HG ARG 56 -2.287 -28.625 -20.582 374 2HG ARG 56 2HG ARG 56 -2.905 -28.666 -18.943 375 1HD ARG 56 1HD ARG 56 -4.505 -30.099 -19.698 376 2HD ARG 56 2HD ARG 56 -5.241 -28.726 -20.501 377 HE ARG 56 HE ARG 56 -3.313 -29.472 -22.310 378 1HH1 ARG 56 2HH2 ARG 56 -5.804 -31.287 -20.613 379 2HH1 ARG 56 1HH2 ARG 56 -5.986 -32.462 -21.873 380 1HH2 ARG 56 2HH1 ARG 56 -3.552 -31.021 -23.973 381 2HH2 ARG 56 1HH1 ARG 56 -4.696 -32.310 -23.797 382 H THR 57 H THR 57 -2.404 -23.882 -17.991 383 HA THR 57 HA THR 57 -2.725 -22.200 -20.390 384 HB THR 57 HB THR 57 -3.994 -22.061 -17.619 385 HG1 THR 57 HG1 THR 57 -4.824 -21.884 -20.431 386 1HG2 THR 57 1HG2 THR 57 -4.315 -19.929 -19.764 387 2HG2 THR 57 2HG2 THR 57 -4.742 -19.842 -18.038 388 3HG2 THR 57 3HG2 THR 57 -3.035 -19.769 -18.537 389 H VAL 58 H VAL 58 -1.169 -20.747 -20.780 390 HA VAL 58 HA VAL 58 1.017 -20.636 -18.911 391 HB VAL 58 HB VAL 58 2.186 -19.531 -20.642 392 1HG1 VAL 58 1HG1 VAL 58 0.337 -21.513 -22.009 393 2HG1 VAL 58 2HG1 VAL 58 1.991 -21.071 -22.496 394 3HG1 VAL 58 3HG1 VAL 58 1.717 -21.958 -20.977 395 1HG2 VAL 58 1HG2 VAL 58 -0.391 -19.195 -22.203 396 2HG2 VAL 58 2HG2 VAL 58 0.319 -17.920 -21.185 397 3HG2 VAL 58 3HG2 VAL 58 1.218 -18.540 -22.591 398 H LEU 59 H LEU 59 1.665 -18.857 -17.679 399 HA LEU 59 HA LEU 59 -0.289 -16.662 -17.625 400 1HB LEU 59 1HB LEU 59 1.132 -18.142 -15.442 401 2HB LEU 59 2HB LEU 59 0.660 -16.472 -15.198 402 HG LEU 59 HG LEU 59 -0.958 -18.135 -14.305 403 1HD1 LEU 59 1HD1 LEU 59 -1.999 -16.316 -16.494 404 2HD1 LEU 59 2HD1 LEU 59 -2.982 -17.044 -15.200 405 3HD1 LEU 59 3HD1 LEU 59 -1.698 -15.880 -14.794 406 1HD2 LEU 59 1HD2 LEU 59 -0.652 -19.832 -16.087 407 2HD2 LEU 59 2HD2 LEU 59 -2.359 -19.439 -15.770 408 3HD2 LEU 59 3HD2 LEU 59 -1.544 -18.775 -17.207 409 H ASP 60 H ASP 60 0.491 -14.775 -18.380 410 HA ASP 60 HA ASP 60 3.242 -14.155 -17.761 411 1HB ASP 60 1HB ASP 60 2.772 -15.183 -20.205 412 2HB ASP 60 2HB ASP 60 2.254 -13.544 -20.548 413 H LEU 61 H LEU 61 2.953 -11.867 -19.843 414 HA LEU 61 HA LEU 61 1.406 -10.125 -18.111 415 1HB LEU 61 1HB LEU 61 3.225 -9.523 -20.447 416 2HB LEU 61 2HB LEU 61 2.448 -8.329 -19.427 417 HG LEU 61 HG LEU 61 4.228 -10.394 -18.169 418 1HD1 LEU 61 1HD1 LEU 61 5.500 -7.845 -19.025 419 2HD1 LEU 61 2HD1 LEU 61 6.195 -9.471 -18.819 420 3HD1 LEU 61 3HD1 LEU 61 5.242 -9.088 -20.273 421 1HD2 LEU 61 1HD2 LEU 61 4.669 -7.934 -16.991 422 2HD2 LEU 61 2HD2 LEU 61 2.937 -7.887 -17.400 423 3HD2 LEU 61 3HD2 LEU 61 3.579 -9.208 -16.395 424 H SER 62 H SER 62 1.478 -11.406 -21.467 425 HA SER 62 HA SER 62 -0.873 -9.882 -22.094 426 1HB SER 62 1HB SER 62 -0.568 -10.643 -24.344 427 2HB SER 62 2HB SER 62 1.039 -10.311 -23.728 428 HG SER 62 HG SER 62 -0.230 -12.906 -23.947 429 H LEU 63 H LEU 63 -1.308 -11.620 -19.910 430 HA LEU 63 HA LEU 63 -3.186 -13.496 -21.133 431 1HB LEU 63 1HB LEU 63 -1.173 -14.146 -18.979 432 2HB LEU 63 2HB LEU 63 -2.574 -15.138 -19.334 433 HG LEU 63 HG LEU 63 -0.671 -16.113 -20.398 434 1HD1 LEU 63 1HD1 LEU 63 -1.778 -16.647 -22.258 435 2HD1 LEU 63 2HD1 LEU 63 -2.995 -15.457 -21.740 436 3HD1 LEU 63 3HD1 LEU 63 -1.714 -14.981 -22.881 437 1HD2 LEU 63 1HD2 LEU 63 1.049 -14.991 -21.257 438 2HD2 LEU 63 2HD2 LEU 63 -0.007 -14.030 -22.320 439 3HD2 LEU 63 3HD2 LEU 63 0.275 -13.512 -20.641 440 H GLN 64 H GLN 64 -4.954 -12.175 -20.675 441 HA GLN 64 HA GLN 64 -5.185 -11.110 -18.029 442 1HB GLN 64 1HB GLN 64 -7.132 -11.045 -20.377 443 2HB GLN 64 2HB GLN 64 -7.311 -10.131 -18.893 444 1HG GLN 64 1HG GLN 64 -6.113 -8.480 -19.895 445 2HG GLN 64 2HG GLN 64 -4.702 -9.501 -19.699 446 1HE2 GLN 64 2HE2 GLN 64 -3.753 -10.423 -21.410 447 2HE2 GLN 64 1HE2 GLN 64 -4.267 -10.261 -23.056 448 H TRP 65 H TRP 65 -6.805 -11.691 -16.472 449 HA TRP 65 HA TRP 65 -7.370 -14.432 -16.357 450 1HB TRP 65 1HB TRP 65 -7.100 -13.156 -14.358 451 2HB TRP 65 2HB TRP 65 -8.399 -12.064 -14.795 452 HD1 TRP 65 HD1 TRP 65 -10.750 -14.061 -15.449 453 HE1 TRP 65 HE1 TRP 65 -11.893 -15.608 -13.642 454 HE3 TRP 65 HE3 TRP 65 -6.859 -14.006 -12.177 455 HZ2 TRP 65 HZ2 TRP 65 -11.060 -16.612 -11.104 456 HZ3 TRP 65 HZ3 TRP 65 -7.105 -15.296 -10.058 457 HH2 TRP 65 HH2 TRP 65 -9.116 -16.568 -9.499 458 H ARG 66 H ARG 66 -9.227 -11.521 -17.384 459 HA ARG 66 HA ARG 66 -11.684 -12.688 -17.574 460 1HB ARG 66 1HB ARG 66 -12.210 -10.864 -19.189 461 2HB ARG 66 2HB ARG 66 -11.284 -10.254 -17.832 462 1HG ARG 66 1HG ARG 66 -9.270 -10.104 -19.113 463 2HG ARG 66 2HG ARG 66 -9.877 -11.170 -20.364 464 1HD ARG 66 1HD ARG 66 -10.812 -9.434 -21.503 465 2HD ARG 66 2HD ARG 66 -11.651 -8.864 -20.074 466 HE ARG 66 HE ARG 66 -8.858 -8.214 -19.853 467 1HH1 ARG 66 2HH2 ARG 66 -11.755 -7.268 -21.612 468 2HH1 ARG 66 1HH2 ARG 66 -11.220 -5.641 -21.872 469 1HH2 ARG 66 2HH1 ARG 66 -8.152 -6.068 -20.195 470 2HH2 ARG 66 1HH1 ARG 66 -9.157 -4.954 -21.060 471 H PHE 67 H PHE 67 -8.803 -13.314 -19.390 472 HA PHE 67 HA PHE 67 -10.389 -14.619 -21.490 473 1HB PHE 67 1HB PHE 67 -7.704 -13.187 -21.335 474 2HB PHE 67 2HB PHE 67 -7.893 -14.443 -22.542 475 HD1 PHE 67 HD1 PHE 67 -8.457 -11.019 -21.767 476 HD2 PHE 67 HD2 PHE 67 -9.869 -14.213 -24.178 477 HE1 PHE 67 HE1 PHE 67 -9.549 -9.370 -23.313 478 HE2 PHE 67 HE2 PHE 67 -10.961 -12.564 -25.723 479 HZ PHE 67 HZ PHE 67 -10.788 -10.162 -25.272 480 H ALA 68 H ALA 68 -7.143 -14.839 -19.851 481 HA ALA 68 HA ALA 68 -6.703 -17.498 -20.461 482 1HB ALA 68 1HB ALA 68 -4.817 -16.433 -19.679 483 2HB ALA 68 2HB ALA 68 -5.712 -15.520 -18.440 484 3HB ALA 68 3HB ALA 68 -5.325 -17.237 -18.174 485 H ASN 69 H ASN 69 -9.028 -16.047 -18.335 486 HA ASN 69 HA ASN 69 -10.316 -16.813 -16.746 487 1HB ASN 69 1HB ASN 69 -11.417 -19.046 -17.268 488 2HB ASN 69 2HB ASN 69 -11.388 -17.945 -18.631 489 1HD2 ASN 69 2HD2 ASN 69 -9.896 -18.247 -20.314 490 2HD2 ASN 69 1HD2 ASN 69 -9.162 -19.782 -20.635 491 H LEU 70 H LEU 70 -8.971 -16.950 -14.859 492 HA LEU 70 HA LEU 70 -7.509 -19.453 -14.483 493 1HB LEU 70 1HB LEU 70 -7.297 -16.695 -13.322 494 2HB LEU 70 2HB LEU 70 -6.630 -18.069 -12.463 495 HG LEU 70 HG LEU 70 -4.970 -18.440 -14.028 496 1HD1 LEU 70 1HD1 LEU 70 -4.991 -17.838 -16.334 497 2HD1 LEU 70 2HD1 LEU 70 -6.574 -18.560 -15.957 498 3HD1 LEU 70 3HD1 LEU 70 -6.416 -16.794 -16.116 499 1HD2 LEU 70 1HD2 LEU 70 -3.893 -16.582 -13.479 500 2HD2 LEU 70 2HD2 LEU 70 -4.648 -15.761 -14.866 501 3HD2 LEU 70 3HD2 LEU 70 -5.429 -15.709 -13.267 502 HA PRO 71 HA PRO 71 -10.282 -20.804 -11.467 503 1HB PRO 71 1HB PRO 71 -8.691 -22.157 -9.704 504 2HB PRO 71 2HB PRO 71 -9.206 -22.827 -11.239 505 1HG PRO 71 1HG PRO 71 -6.556 -21.761 -10.478 506 2HG PRO 71 2HG PRO 71 -6.975 -22.802 -11.824 507 1HD PRO 71 1HD PRO 71 -6.418 -19.991 -11.938 508 2HD PRO 71 2HD PRO 71 -6.950 -21.009 -13.262 509 H ASN 72 H ASN 72 -10.878 -20.932 -9.057 510 HA ASN 72 HA ASN 72 -11.220 -18.495 -8.126 511 1HB ASN 72 1HB ASN 72 -10.842 -19.741 -5.727 512 2HB ASN 72 2HB ASN 72 -12.254 -20.029 -6.726 513 1HD2 ASN 72 2HD2 ASN 72 -10.159 -21.553 -4.894 514 2HD2 ASN 72 1HD2 ASN 72 -9.974 -23.077 -5.696 515 H ASN 73 H ASN 73 -8.853 -20.492 -6.262 516 HA ASN 73 HA ASN 73 -7.412 -18.278 -5.442 517 1HB ASN 73 1HB ASN 73 -7.308 -21.191 -5.132 518 2HB ASN 73 2HB ASN 73 -5.685 -20.554 -5.316 519 1HD2 ASN 73 2HD2 ASN 73 -4.931 -20.695 -3.307 520 2HD2 ASN 73 1HD2 ASN 73 -5.581 -19.892 -1.917 521 H ALA 74 H ALA 74 -7.652 -19.585 -8.510 522 HA ALA 74 HA ALA 74 -6.175 -19.962 -10.213 523 1HB ALA 74 1HB ALA 74 -5.347 -17.673 -10.950 524 2HB ALA 74 2HB ALA 74 -7.086 -17.771 -10.582 525 3HB ALA 74 3HB ALA 74 -5.968 -17.038 -9.407 526 H LYS 75 H LYS 75 -4.654 -21.462 -9.248 527 HA LYS 75 HA LYS 75 -2.285 -20.269 -8.066 528 1HB LYS 75 1HB LYS 75 -1.666 -22.605 -7.573 529 2HB LYS 75 2HB LYS 75 -3.233 -22.171 -6.921 530 1HG LYS 75 1HG LYS 75 -4.298 -23.742 -8.176 531 2HG LYS 75 2HG LYS 75 -3.507 -23.209 -9.647 532 1HD LYS 75 1HD LYS 75 -2.196 -25.000 -7.547 533 2HD LYS 75 2HD LYS 75 -2.963 -25.594 -9.006 534 1HE LYS 75 1HE LYS 75 -1.046 -23.447 -9.610 535 2HE LYS 75 2HE LYS 75 -0.278 -24.756 -8.735 536 1HZ LYS 75 1HZ LYS 75 -1.959 -25.166 -11.107 537 2HZ LYS 75 2HZ LYS 75 -0.331 -25.052 -11.155 538 3HZ LYS 75 3HZ LYS 75 -1.040 -26.286 -10.354 539 H LEU 76 H LEU 76 -0.549 -19.718 -9.261 540 HA LEU 76 HA LEU 76 -0.277 -21.054 -11.865 541 1HB LEU 76 1HB LEU 76 0.939 -18.386 -11.387 542 2HB LEU 76 2HB LEU 76 0.317 -19.098 -12.863 543 HG LEU 76 HG LEU 76 -1.219 -17.436 -12.476 544 1HD1 LEU 76 1HD1 LEU 76 -3.137 -18.580 -12.423 545 2HD1 LEU 76 2HD1 LEU 76 -2.117 -20.016 -12.164 546 3HD1 LEU 76 3HD1 LEU 76 -2.846 -19.179 -10.772 547 1HD2 LEU 76 1HD2 LEU 76 -1.744 -17.863 -9.596 548 2HD2 LEU 76 2HD2 LEU 76 -0.135 -17.223 -10.008 549 3HD2 LEU 76 3HD2 LEU 76 -1.599 -16.358 -10.535 550 H GLU 77 H GLU 77 1.913 -21.517 -12.583 551 HA GLU 77 HA GLU 77 3.625 -21.956 -10.278 552 1HB GLU 77 1HB GLU 77 3.958 -23.183 -13.040 553 2HB GLU 77 2HB GLU 77 4.649 -23.740 -11.529 554 1HG GLU 77 1HG GLU 77 1.802 -23.617 -11.154 555 2HG GLU 77 2HG GLU 77 2.081 -24.407 -12.693 556 H MET 78 H MET 78 5.651 -21.005 -10.108 557 HA MET 78 HA MET 78 6.212 -19.007 -12.107 558 1HB MET 78 1HB MET 78 6.406 -19.097 -9.326 559 2HB MET 78 2HB MET 78 8.071 -19.383 -9.792 560 1HG MET 78 1HG MET 78 7.463 -17.300 -11.476 561 2HG MET 78 2HG MET 78 6.401 -16.923 -10.134 562 1HE MET 78 1HE MET 78 9.883 -15.665 -11.191 563 2HE MET 78 2HE MET 78 10.891 -16.908 -10.412 564 3HE MET 78 3HE MET 78 9.652 -17.382 -11.599 565 H VAL 79 H VAL 79 7.954 -19.040 -13.524 566 HA VAL 79 HA VAL 79 10.028 -21.025 -13.100 567 HB VAL 79 HB VAL 79 8.003 -21.926 -14.479 568 1HG1 VAL 79 1HG1 VAL 79 9.459 -20.263 -16.563 569 2HG1 VAL 79 2HG1 VAL 79 8.238 -21.511 -16.912 570 3HG1 VAL 79 3HG1 VAL 79 7.781 -20.047 -16.009 571 1HG2 VAL 79 1HG2 VAL 79 9.405 -23.517 -15.362 572 2HG2 VAL 79 2HG2 VAL 79 10.607 -22.322 -15.904 573 3HG2 VAL 79 3HG2 VAL 79 10.504 -22.763 -14.183 574 HA PRO 80 HA PRO 80 12.229 -17.617 -14.636 575 1HB PRO 80 1HB PRO 80 14.725 -18.728 -14.710 576 2HB PRO 80 2HB PRO 80 14.014 -18.065 -13.252 577 1HG PRO 80 1HG PRO 80 14.379 -20.898 -14.014 578 2HG PRO 80 2HG PRO 80 14.076 -20.218 -12.427 579 1HD PRO 80 1HD PRO 80 12.180 -21.558 -14.110 580 2HD PRO 80 2HD PRO 80 11.851 -20.777 -12.576 581 H VAL 81 H VAL 81 12.512 -16.655 -16.564 582 HA VAL 81 HA VAL 81 13.828 -17.654 -18.675 583 HB VAL 81 HB VAL 81 12.228 -19.599 -18.431 584 1HG1 VAL 81 1HG1 VAL 81 9.986 -19.432 -18.869 585 2HG1 VAL 81 2HG1 VAL 81 10.260 -17.825 -18.156 586 3HG1 VAL 81 3HG1 VAL 81 10.181 -18.012 -19.924 587 1HG2 VAL 81 1HG2 VAL 81 13.376 -18.417 -20.675 588 2HG2 VAL 81 2HG2 VAL 81 12.710 -20.064 -20.568 589 3HG2 VAL 81 3HG2 VAL 81 11.694 -18.730 -21.167 590 H SER 82 H SER 82 12.221 -16.917 -20.889 591 HA SER 82 HA SER 82 11.473 -14.207 -20.111 592 1HB SER 82 1HB SER 82 13.668 -14.436 -21.412 593 2HB SER 82 2HB SER 82 12.722 -15.004 -22.773 594 HG SER 82 HG SER 82 11.439 -12.851 -22.225 595 H ARG 83 H ARG 83 9.227 -14.353 -20.127 596 HA ARG 83 HA ARG 83 7.209 -14.716 -20.819 597 1HB ARG 83 1HB ARG 83 8.629 -13.993 -23.396 598 2HB ARG 83 2HB ARG 83 6.942 -14.460 -23.474 599 1HG ARG 83 1HG ARG 83 6.212 -12.555 -22.387 600 2HG ARG 83 2HG ARG 83 7.611 -12.484 -21.335 601 1HD ARG 83 1HD ARG 83 8.462 -10.849 -22.662 602 2HD ARG 83 2HD ARG 83 8.645 -12.033 -23.940 603 HE ARG 83 HE ARG 83 6.511 -10.025 -23.702 604 1HH1 ARG 83 2HH2 ARG 83 7.508 -13.042 -25.215 605 2HH1 ARG 83 1HH2 ARG 83 6.412 -12.884 -26.547 606 1HH2 ARG 83 2HH1 ARG 83 5.065 -9.817 -25.459 607 2HH2 ARG 83 1HH1 ARG 83 5.013 -11.038 -26.687 608 H SER 84 H SER 84 5.745 -16.084 -22.511 609 HA SER 84 HA SER 84 6.677 -18.743 -22.225 610 1HB SER 84 1HB SER 84 4.163 -17.396 -22.648 611 2HB SER 84 2HB SER 84 4.338 -18.608 -23.902 612 HG SER 84 HG SER 84 5.030 -19.428 -21.276 613 H ARG 85 H ARG 85 6.964 -20.310 -23.992 614 HA ARG 85 HA ARG 85 6.777 -19.712 -26.632 615 1HB ARG 85 1HB ARG 85 8.477 -18.024 -26.523 616 2HB ARG 85 2HB ARG 85 9.469 -18.966 -25.428 617 1HG ARG 85 1HG ARG 85 10.541 -19.982 -27.153 618 2HG ARG 85 2HG ARG 85 9.025 -20.481 -27.877 619 1HD ARG 85 1HD ARG 85 9.628 -19.040 -29.560 620 2HD ARG 85 2HD ARG 85 8.978 -17.808 -28.497 621 HE ARG 85 HE ARG 85 11.797 -18.457 -27.978 622 1HH1 ARG 85 2HH2 ARG 85 9.569 -16.426 -29.792 623 2HH1 ARG 85 1HH2 ARG 85 10.737 -15.180 -30.080 624 1HH2 ARG 85 2HH1 ARG 85 13.339 -16.813 -28.357 625 2HH2 ARG 85 1HH1 ARG 85 12.896 -15.402 -29.258 Start of MODEL 2 1 H SER 10 H SER 10 -12.258 -13.547 -6.210 2 HA SER 10 HA SER 10 -10.981 -15.690 -7.694 3 1HB SER 10 1HB SER 10 -10.361 -13.933 -9.317 4 2HB SER 10 2HB SER 10 -12.089 -13.940 -9.030 5 HG SER 10 HG SER 10 -10.141 -12.002 -8.322 6 H ALA 11 H ALA 11 -8.870 -16.230 -7.249 7 HA ALA 11 HA ALA 11 -7.099 -14.177 -6.216 8 1HB ALA 11 1HB ALA 11 -6.487 -16.277 -4.540 9 2HB ALA 11 2HB ALA 11 -7.471 -14.864 -4.087 10 3HB ALA 11 3HB ALA 11 -8.263 -16.369 -4.611 11 H VAL 12 H VAL 12 -4.877 -14.650 -6.631 12 HA VAL 12 HA VAL 12 -4.505 -17.018 -8.333 13 HB VAL 12 HB VAL 12 -4.177 -14.246 -8.901 14 1HG1 VAL 12 1HG1 VAL 12 -1.780 -14.489 -9.848 15 2HG1 VAL 12 2HG1 VAL 12 -1.974 -14.147 -8.112 16 3HG1 VAL 12 3HG1 VAL 12 -1.600 -15.800 -8.658 17 1HG2 VAL 12 1HG2 VAL 12 -3.615 -15.110 -11.159 18 2HG2 VAL 12 2HG2 VAL 12 -3.506 -16.752 -10.481 19 3HG2 VAL 12 3HG2 VAL 12 -5.060 -15.884 -10.464 20 H SER 13 H SER 13 -2.751 -18.338 -7.891 21 HA SER 13 HA SER 13 -1.115 -17.440 -5.648 22 1HB SER 13 1HB SER 13 -2.805 -19.373 -5.251 23 2HB SER 13 2HB SER 13 -1.756 -20.348 -6.261 24 HG SER 13 HG SER 13 -0.802 -20.729 -4.357 25 H VAL 14 H VAL 14 1.132 -17.646 -5.884 26 HA VAL 14 HA VAL 14 2.016 -18.903 -8.391 27 HB VAL 14 HB VAL 14 3.662 -16.761 -7.196 28 1HG1 VAL 14 1HG1 VAL 14 3.103 -16.308 -9.930 29 2HG1 VAL 14 2HG1 VAL 14 4.582 -16.993 -9.215 30 3HG1 VAL 14 3HG1 VAL 14 3.265 -18.070 -9.737 31 1HG2 VAL 14 1HG2 VAL 14 0.890 -16.248 -8.277 32 2HG2 VAL 14 2HG2 VAL 14 1.665 -15.596 -6.813 33 3HG2 VAL 14 3HG2 VAL 14 2.182 -15.032 -8.420 34 H LEU 15 H LEU 15 3.186 -20.708 -8.025 35 HA LEU 15 HA LEU 15 4.519 -20.915 -5.424 36 1HB LEU 15 1HB LEU 15 4.244 -23.201 -5.518 37 2HB LEU 15 2HB LEU 15 2.739 -22.576 -6.161 38 HG LEU 15 HG LEU 15 4.144 -22.904 -8.467 39 1HD1 LEU 15 1HD1 LEU 15 5.585 -24.691 -8.472 40 2HD1 LEU 15 2HD1 LEU 15 5.959 -23.963 -6.891 41 3HD1 LEU 15 3HD1 LEU 15 4.904 -25.393 -6.985 42 1HD2 LEU 15 1HD2 LEU 15 1.893 -23.995 -7.248 43 2HD2 LEU 15 2HD2 LEU 15 2.404 -24.206 -8.940 44 3HD2 LEU 15 3HD2 LEU 15 2.873 -25.407 -7.712 45 H ALA 16 H ALA 16 6.606 -20.273 -5.489 46 HA ALA 16 HA ALA 16 8.049 -20.377 -7.973 47 1HB ALA 16 1HB ALA 16 8.078 -18.673 -5.881 48 2HB ALA 16 2HB ALA 16 9.397 -19.757 -5.379 49 3HB ALA 16 3HB ALA 16 9.485 -18.913 -6.944 50 HA PRO 17 HA PRO 17 9.702 -24.318 -7.174 51 1HB PRO 17 1HB PRO 17 11.440 -24.458 -9.278 52 2HB PRO 17 2HB PRO 17 9.734 -24.835 -9.417 53 1HG PRO 17 1HG PRO 17 11.181 -22.427 -10.338 54 2HG PRO 17 2HG PRO 17 9.604 -23.014 -10.827 55 1HD PRO 17 1HD PRO 17 10.146 -20.836 -9.042 56 2HD PRO 17 2HD PRO 17 8.573 -21.497 -9.440 57 H ASN 18 H ASN 18 11.283 -21.420 -6.854 58 HA ASN 18 HA ASN 18 13.831 -22.537 -6.314 59 1HB ASN 18 1HB ASN 18 14.434 -20.245 -5.641 60 2HB ASN 18 2HB ASN 18 13.481 -20.168 -7.109 61 1HD2 ASN 18 2HD2 ASN 18 13.339 -17.916 -6.190 62 2HD2 ASN 18 1HD2 ASN 18 11.985 -17.545 -5.175 63 H GLY 19 H GLY 19 10.944 -22.862 -4.751 64 1HA GLY 19 1HA GLY 19 10.713 -23.876 -2.668 65 2HA GLY 19 2HA GLY 19 12.220 -23.161 -2.131 66 H ARG 20 H ARG 20 10.154 -20.990 -3.914 67 HA ARG 20 HA ARG 20 9.347 -19.827 -1.370 68 1HB ARG 20 1HB ARG 20 10.089 -18.551 -4.038 69 2HB ARG 20 2HB ARG 20 9.188 -17.658 -2.829 70 1HG ARG 20 1HG ARG 20 11.657 -19.078 -1.876 71 2HG ARG 20 2HG ARG 20 11.908 -17.695 -2.923 72 1HD ARG 20 1HD ARG 20 9.880 -17.018 -0.955 73 2HD ARG 20 2HD ARG 20 11.270 -17.689 -0.124 74 HE ARG 20 HE ARG 20 11.178 -15.169 -1.635 75 1HH1 ARG 20 2HH2 ARG 20 13.250 -17.664 -0.270 76 2HH1 ARG 20 1HH2 ARG 20 14.650 -16.645 -0.203 77 1HH2 ARG 20 2HH1 ARG 20 13.023 -13.824 -1.548 78 2HH2 ARG 20 1HH1 ARG 20 14.519 -14.446 -0.935 79 H ARG 21 H ARG 21 7.166 -20.068 -0.994 80 HA ARG 21 HA ARG 21 5.475 -20.228 -3.355 81 1HB ARG 21 1HB ARG 21 5.243 -21.412 -0.562 82 2HB ARG 21 2HB ARG 21 3.817 -21.244 -1.566 83 1HG ARG 21 1HG ARG 21 5.709 -22.384 -3.307 84 2HG ARG 21 2HG ARG 21 6.034 -23.176 -1.778 85 1HD ARG 21 1HD ARG 21 3.137 -22.951 -2.372 86 2HD ARG 21 2HD ARG 21 4.012 -23.884 -3.569 87 HE ARG 21 HE ARG 21 4.799 -24.668 -0.895 88 1HH1 ARG 21 2HH2 ARG 21 2.219 -25.028 -3.261 89 2HH1 ARG 21 1HH2 ARG 21 1.687 -26.554 -2.637 90 1HH2 ARG 21 2HH1 ARG 21 4.097 -26.681 -0.072 91 2HH2 ARG 21 1HH1 ARG 21 2.762 -27.500 -0.811 92 H HIS 22 H HIS 22 4.278 -18.392 -3.743 93 HA HIS 22 HA HIS 22 3.203 -16.990 -1.431 94 1HB HIS 22 1HB HIS 22 3.894 -14.836 -2.219 95 2HB HIS 22 2HB HIS 22 5.310 -15.856 -2.052 96 HD1 HIS 22 HD1 HIS 22 5.614 -17.282 -4.643 97 HD2 HIS 22 HD2 HIS 22 4.217 -13.331 -4.460 98 HE1 HIS 22 HE1 HIS 22 6.048 -16.263 -6.942 99 H THR 23 H THR 23 1.132 -16.156 -1.768 100 HA THR 23 HA THR 23 0.047 -16.608 -4.472 101 HB THR 23 HB THR 23 -0.791 -18.292 -2.878 102 HG1 THR 23 HG1 THR 23 -2.509 -17.611 -4.157 103 1HG2 THR 23 1HG2 THR 23 -1.710 -15.877 -1.230 104 2HG2 THR 23 2HG2 THR 23 -2.115 -17.578 -0.896 105 3HG2 THR 23 3HG2 THR 23 -0.433 -17.016 -0.740 106 H VAL 24 H VAL 24 -0.946 -14.950 -5.478 107 HA VAL 24 HA VAL 24 -1.417 -12.562 -3.829 108 HB VAL 24 HB VAL 24 -0.335 -12.821 -6.638 109 1HG1 VAL 24 1HG1 VAL 24 -2.084 -10.972 -6.281 110 2HG1 VAL 24 2HG1 VAL 24 -0.875 -10.203 -5.225 111 3HG1 VAL 24 3HG1 VAL 24 -0.503 -10.492 -6.942 112 1HG2 VAL 24 1HG2 VAL 24 1.541 -12.986 -5.344 113 2HG2 VAL 24 2HG2 VAL 24 1.402 -11.212 -5.391 114 3HG2 VAL 24 3HG2 VAL 24 0.812 -12.114 -3.974 115 H LYS 25 H LYS 25 -3.485 -11.824 -3.820 116 HA LYS 25 HA LYS 25 -5.372 -13.209 -5.521 117 1HB LYS 25 1HB LYS 25 -7.057 -12.064 -4.111 118 2HB LYS 25 2HB LYS 25 -5.927 -13.034 -3.189 119 1HG LYS 25 1HG LYS 25 -4.674 -11.076 -2.487 120 2HG LYS 25 2HG LYS 25 -5.512 -10.046 -3.631 121 1HD LYS 25 1HD LYS 25 -7.530 -11.305 -2.025 122 2HD LYS 25 2HD LYS 25 -6.285 -10.750 -0.924 123 1HE LYS 25 1HE LYS 25 -6.445 -8.468 -1.747 124 2HE LYS 25 2HE LYS 25 -7.438 -8.957 -3.105 125 1HZ LYS 25 1HZ LYS 25 -8.794 -9.866 -0.960 126 2HZ LYS 25 2HZ LYS 25 -8.206 -8.439 -0.427 127 3HZ LYS 25 3HZ LYS 25 -9.124 -8.491 -1.777 128 H VAL 26 H VAL 26 -6.037 -12.448 -7.451 129 HA VAL 26 HA VAL 26 -5.838 -9.546 -7.861 130 HB VAL 26 HB VAL 26 -5.067 -9.897 -10.079 131 1HG1 VAL 26 1HG1 VAL 26 -3.590 -11.443 -7.955 132 2HG1 VAL 26 2HG1 VAL 26 -2.958 -11.353 -9.617 133 3HG1 VAL 26 3HG1 VAL 26 -3.206 -9.862 -8.677 134 1HG2 VAL 26 1HG2 VAL 26 -4.510 -12.350 -10.778 135 2HG2 VAL 26 2HG2 VAL 26 -5.733 -12.788 -9.561 136 3HG2 VAL 26 3HG2 VAL 26 -6.179 -11.751 -10.937 137 H THR 27 H THR 27 -7.280 -8.877 -9.819 138 HA THR 27 HA THR 27 -9.889 -10.050 -9.313 139 HB THR 27 HB THR 27 -9.641 -7.832 -11.264 140 HG1 THR 27 HG1 THR 27 -8.777 -7.575 -8.474 141 1HG2 THR 27 1HG2 THR 27 -11.626 -7.338 -10.250 142 2HG2 THR 27 2HG2 THR 27 -11.376 -8.679 -9.106 143 3HG2 THR 27 3HG2 THR 27 -10.760 -7.054 -8.721 144 HA PRO 28 HA PRO 28 -10.094 -12.309 -12.952 145 1HB PRO 28 1HB PRO 28 -12.785 -12.366 -13.427 146 2HB PRO 28 2HB PRO 28 -11.997 -13.402 -12.254 147 1HG PRO 28 1HG PRO 28 -13.659 -11.002 -11.787 148 2HG PRO 28 2HG PRO 28 -13.226 -12.274 -10.661 149 1HD PRO 28 1HD PRO 28 -12.099 -9.640 -10.792 150 2HD PRO 28 2HD PRO 28 -11.586 -10.948 -9.745 151 H SER 29 H SER 29 -10.952 -9.070 -12.884 152 HA SER 29 HA SER 29 -11.137 -9.093 -15.791 153 1HB SER 29 1HB SER 29 -11.977 -6.659 -15.365 154 2HB SER 29 2HB SER 29 -13.060 -7.990 -15.009 155 HG SER 29 HG SER 29 -13.006 -6.433 -13.272 156 H THR 30 H THR 30 -8.951 -8.697 -13.278 157 HA THR 30 HA THR 30 -7.551 -6.419 -14.421 158 HB THR 30 HB THR 30 -7.352 -8.145 -11.928 159 HG1 THR 30 HG1 THR 30 -7.273 -5.272 -12.507 160 1HG2 THR 30 1HG2 THR 30 -5.079 -7.015 -13.299 161 2HG2 THR 30 2HG2 THR 30 -5.448 -5.965 -11.910 162 3HG2 THR 30 3HG2 THR 30 -5.130 -7.698 -11.657 163 H VAL 31 H VAL 31 -5.628 -6.463 -15.529 164 HA VAL 31 HA VAL 31 -5.064 -8.951 -16.832 165 HB VAL 31 HB VAL 31 -3.585 -6.322 -16.992 166 1HG1 VAL 31 1HG1 VAL 31 -3.561 -7.463 -19.489 167 2HG1 VAL 31 2HG1 VAL 31 -2.249 -7.586 -18.292 168 3HG1 VAL 31 3HG1 VAL 31 -3.453 -8.890 -18.431 169 1HG2 VAL 31 1HG2 VAL 31 -6.304 -6.834 -17.657 170 2HG2 VAL 31 2HG2 VAL 31 -5.337 -5.377 -17.992 171 3HG2 VAL 31 3HG2 VAL 31 -5.397 -6.699 -19.183 172 H LEU 32 H LEU 32 -3.413 -10.379 -16.427 173 HA LEU 32 HA LEU 32 -2.221 -10.381 -13.925 174 1HB LEU 32 1HB LEU 32 -1.563 -11.827 -16.488 175 2HB LEU 32 2HB LEU 32 -0.730 -12.137 -14.977 176 HG LEU 32 HG LEU 32 -3.611 -12.264 -14.612 177 1HD1 LEU 32 1HD1 LEU 32 -3.685 -14.536 -15.921 178 2HD1 LEU 32 2HD1 LEU 32 -4.022 -12.997 -16.751 179 3HD1 LEU 32 3HD1 LEU 32 -2.426 -13.767 -16.918 180 1HD2 LEU 32 1HD2 LEU 32 -2.081 -14.741 -14.330 181 2HD2 LEU 32 2HD2 LEU 32 -1.342 -13.358 -13.487 182 3HD2 LEU 32 3HD2 LEU 32 -3.022 -13.823 -13.129 183 H LEU 33 H LEU 33 -1.438 -8.614 -16.827 184 HA LEU 33 HA LEU 33 1.322 -8.341 -16.434 185 1HB LEU 33 1HB LEU 33 1.247 -6.777 -18.125 186 2HB LEU 33 2HB LEU 33 -0.096 -7.843 -18.488 187 HG LEU 33 HG LEU 33 -1.540 -6.084 -17.216 188 1HD1 LEU 33 1HD1 LEU 33 -0.330 -4.446 -16.288 189 2HD1 LEU 33 2HD1 LEU 33 1.083 -4.765 -17.323 190 3HD1 LEU 33 3HD1 LEU 33 -0.262 -3.772 -17.934 191 1HD2 LEU 33 1HD2 LEU 33 -0.566 -4.977 -19.804 192 2HD2 LEU 33 2HD2 LEU 33 -1.211 -6.636 -19.801 193 3HD2 LEU 33 3HD2 LEU 33 -2.223 -5.286 -19.233 194 H GLN 34 H GLN 34 -1.523 -6.447 -15.271 195 HA GLN 34 HA GLN 34 0.045 -4.492 -14.037 196 1HB GLN 34 1HB GLN 34 -1.986 -3.619 -13.237 197 2HB GLN 34 2HB GLN 34 -2.480 -4.466 -14.689 198 1HG GLN 34 1HG GLN 34 -4.050 -5.324 -13.208 199 2HG GLN 34 2HG GLN 34 -2.790 -6.524 -13.005 200 1HE2 GLN 34 2HE2 GLN 34 -4.463 -3.818 -11.632 201 2HE2 GLN 34 1HE2 GLN 34 -3.835 -3.913 -10.021 202 H VAL 35 H VAL 35 -1.334 -7.630 -12.968 203 HA VAL 35 HA VAL 35 -0.656 -7.241 -10.236 204 HB VAL 35 HB VAL 35 -1.650 -9.249 -9.904 205 1HG1 VAL 35 1HG1 VAL 35 -3.554 -9.450 -11.270 206 2HG1 VAL 35 2HG1 VAL 35 -3.075 -7.744 -11.429 207 3HG1 VAL 35 3HG1 VAL 35 -2.684 -8.902 -12.722 208 1HG2 VAL 35 1HG2 VAL 35 -0.756 -10.278 -12.615 209 2HG2 VAL 35 2HG2 VAL 35 0.161 -10.502 -11.106 210 3HG2 VAL 35 3HG2 VAL 35 -1.461 -11.215 -11.276 211 H LEU 36 H LEU 36 0.806 -9.068 -13.005 212 HA LEU 36 HA LEU 36 2.964 -10.065 -11.541 213 1HB LEU 36 1HB LEU 36 2.349 -11.063 -13.597 214 2HB LEU 36 2HB LEU 36 2.500 -9.553 -14.472 215 HG LEU 36 HG LEU 36 4.875 -10.876 -13.156 216 1HD1 LEU 36 1HD1 LEU 36 5.305 -12.220 -14.961 217 2HD1 LEU 36 2HD1 LEU 36 3.526 -12.288 -14.924 218 3HD1 LEU 36 3HD1 LEU 36 4.352 -11.218 -16.082 219 1HD2 LEU 36 1HD2 LEU 36 5.995 -9.595 -15.122 220 2HD2 LEU 36 2HD2 LEU 36 4.481 -8.659 -15.145 221 3HD2 LEU 36 3HD2 LEU 36 5.479 -8.703 -13.671 222 H GLU 37 H GLU 37 2.462 -6.997 -13.354 223 HA GLU 37 HA GLU 37 5.099 -6.152 -13.159 224 1HB GLU 37 1HB GLU 37 2.468 -4.669 -13.513 225 2HB GLU 37 2HB GLU 37 4.004 -3.825 -13.496 226 1HG GLU 37 1HG GLU 37 3.789 -6.231 -15.292 227 2HG GLU 37 2HG GLU 37 2.903 -4.798 -15.773 228 H ASP 38 H ASP 38 2.228 -5.708 -11.022 229 HA ASP 38 HA ASP 38 3.364 -3.881 -9.313 230 1HB ASP 38 1HB ASP 38 1.116 -5.832 -9.251 231 2HB ASP 38 2HB ASP 38 1.730 -5.405 -7.666 232 H THR 39 H THR 39 3.080 -7.510 -9.078 233 HA THR 39 HA THR 39 4.589 -7.743 -6.716 234 HB THR 39 HB THR 39 4.118 -9.777 -8.958 235 HG1 THR 39 HG1 THR 39 2.061 -9.162 -8.313 236 1HG2 THR 39 1HG2 THR 39 3.863 -10.627 -6.151 237 2HG2 THR 39 2HG2 THR 39 4.814 -11.365 -7.462 238 3HG2 THR 39 3HG2 THR 39 5.503 -10.032 -6.505 239 H CYS 40 H CYS 40 5.492 -7.558 -10.160 240 HA CYS 40 HA CYS 40 8.122 -8.465 -9.772 241 1HB CYS 40 1HB CYS 40 6.666 -7.018 -11.962 242 2HB CYS 40 2HB CYS 40 8.417 -7.073 -12.007 243 HG CYS 40 HG CYS 40 7.650 -9.880 -11.056 244 H ARG 41 H ARG 41 6.433 -5.307 -9.566 245 HA ARG 41 HA ARG 41 8.745 -3.762 -9.474 246 1HB ARG 41 1HB ARG 41 7.223 -2.058 -9.440 247 2HB ARG 41 2HB ARG 41 5.986 -3.296 -9.532 248 1HG ARG 41 1HG ARG 41 5.865 -3.399 -7.054 249 2HG ARG 41 2HG ARG 41 7.163 -2.230 -6.921 250 1HD ARG 41 1HD ARG 41 5.162 -1.104 -8.668 251 2HD ARG 41 2HD ARG 41 4.335 -1.734 -7.258 252 HE ARG 41 HE ARG 41 6.655 -0.313 -6.373 253 1HH1 ARG 41 2HH2 ARG 41 3.522 0.304 -7.853 254 2HH1 ARG 41 1HH2 ARG 41 3.386 1.903 -7.199 255 1HH2 ARG 41 2HH1 ARG 41 6.475 1.795 -5.510 256 2HH2 ARG 41 1HH1 ARG 41 5.077 2.756 -5.858 257 H ARG 42 H ARG 42 6.567 -5.126 -6.911 258 HA ARG 42 HA ARG 42 8.142 -4.053 -4.835 259 1HB ARG 42 1HB ARG 42 6.708 -5.784 -3.458 260 2HB ARG 42 2HB ARG 42 5.894 -4.427 -4.210 261 1HG ARG 42 1HG ARG 42 6.023 -6.489 -6.194 262 2HG ARG 42 2HG ARG 42 5.528 -7.269 -4.704 263 1HD ARG 42 1HD ARG 42 4.210 -4.714 -5.733 264 2HD ARG 42 2HD ARG 42 3.632 -6.312 -6.162 265 HE ARG 42 HE ARG 42 3.437 -5.024 -3.515 266 1HH1 ARG 42 2HH2 ARG 42 3.168 -8.013 -5.353 267 2HH1 ARG 42 1HH2 ARG 42 2.178 -8.801 -4.170 268 1HH2 ARG 42 2HH1 ARG 42 2.131 -6.063 -1.954 269 2HH2 ARG 42 1HH1 ARG 42 1.584 -7.684 -2.223 270 H GLN 43 H GLN 43 7.897 -7.182 -6.574 271 HA GLN 43 HA GLN 43 9.841 -8.343 -4.785 272 1HB GLN 43 1HB GLN 43 9.147 -10.408 -5.571 273 2HB GLN 43 2HB GLN 43 7.689 -9.481 -5.866 274 1HG GLN 43 1HG GLN 43 8.870 -8.973 -8.216 275 2HG GLN 43 2HG GLN 43 9.763 -10.434 -7.845 276 1HE2 GLN 43 2HE2 GLN 43 8.333 -12.259 -6.950 277 2HE2 GLN 43 1HE2 GLN 43 6.875 -12.596 -7.823 278 H ASP 44 H ASP 44 10.068 -6.163 -7.174 279 HA ASP 44 HA ASP 44 11.440 -5.699 -8.817 280 1HB ASP 44 1HB ASP 44 13.868 -5.973 -8.226 281 2HB ASP 44 2HB ASP 44 12.914 -5.293 -6.922 282 H PHE 45 H PHE 45 10.262 -7.596 -10.055 283 HA PHE 45 HA PHE 45 12.303 -9.560 -10.821 284 1HB PHE 45 1HB PHE 45 9.477 -9.782 -9.869 285 2HB PHE 45 2HB PHE 45 9.755 -10.656 -11.362 286 HD1 PHE 45 HD1 PHE 45 12.222 -10.191 -8.637 287 HD2 PHE 45 HD2 PHE 45 9.568 -12.871 -10.582 288 HE1 PHE 45 HE1 PHE 45 13.198 -12.103 -7.336 289 HE2 PHE 45 HE2 PHE 45 10.544 -14.782 -9.281 290 HZ PHE 45 HZ PHE 45 12.348 -14.376 -7.674 291 H ASN 46 H ASN 46 12.017 -10.416 -13.068 292 HA ASN 46 HA ASN 46 10.704 -8.398 -14.715 293 1HB ASN 46 1HB ASN 46 13.447 -9.203 -14.674 294 2HB ASN 46 2HB ASN 46 12.776 -9.916 -16.127 295 1HD2 ASN 46 2HD2 ASN 46 14.378 -8.372 -17.034 296 2HD2 ASN 46 1HD2 ASN 46 13.854 -6.766 -17.418 297 HA PRO 47 HA PRO 47 8.611 -11.880 -16.381 298 1HB PRO 47 1HB PRO 47 7.608 -10.811 -18.687 299 2HB PRO 47 2HB PRO 47 6.862 -10.576 -17.119 300 1HG PRO 47 1HG PRO 47 8.462 -8.670 -18.715 301 2HG PRO 47 2HG PRO 47 7.372 -8.342 -17.383 302 1HD PRO 47 1HD PRO 47 10.238 -8.367 -17.288 303 2HD PRO 47 2HD PRO 47 9.147 -8.154 -15.934 304 H SER 48 H SER 48 10.846 -10.192 -18.466 305 HA SER 48 HA SER 48 11.003 -12.238 -20.343 306 1HB SER 48 1HB SER 48 11.816 -10.109 -21.007 307 2HB SER 48 2HB SER 48 12.795 -9.922 -19.566 308 HG SER 48 HG SER 48 13.443 -12.154 -21.175 309 H GLU 49 H GLU 49 11.896 -12.192 -17.073 310 HA GLU 49 HA GLU 49 13.851 -14.298 -17.573 311 1HB GLU 49 1HB GLU 49 13.864 -12.125 -15.446 312 2HB GLU 49 2HB GLU 49 14.822 -13.583 -15.283 313 1HG GLU 49 1HG GLU 49 15.092 -12.280 -17.938 314 2HG GLU 49 2HG GLU 49 15.627 -11.272 -16.608 315 H TYR 50 H TYR 50 10.745 -13.694 -16.680 316 HA TYR 50 HA TYR 50 10.668 -16.090 -15.029 317 1HB TYR 50 1HB TYR 50 9.619 -13.269 -14.386 318 2HB TYR 50 2HB TYR 50 8.996 -14.683 -13.559 319 HD1 TYR 50 HD1 TYR 50 11.400 -16.290 -13.052 320 HD2 TYR 50 HD2 TYR 50 10.848 -12.053 -12.824 321 HE1 TYR 50 HE1 TYR 50 13.291 -16.127 -11.360 322 HE2 TYR 50 HE2 TYR 50 12.740 -11.905 -11.133 323 HH TYR 50 HH TYR 50 13.850 -14.420 -9.446 324 H ASP 51 H ASP 51 8.812 -17.318 -15.350 325 HA ASP 51 HA ASP 51 6.790 -16.061 -17.026 326 1HB ASP 51 1HB ASP 51 8.354 -18.582 -17.443 327 2HB ASP 51 2HB ASP 51 6.640 -18.691 -17.791 328 H LEU 52 H LEU 52 4.598 -16.891 -16.623 329 HA LEU 52 HA LEU 52 4.421 -18.619 -14.253 330 1HB LEU 52 1HB LEU 52 2.595 -16.313 -14.939 331 2HB LEU 52 2HB LEU 52 2.497 -17.348 -13.528 332 HG LEU 52 HG LEU 52 3.456 -15.359 -12.754 333 1HD1 LEU 52 1HD1 LEU 52 5.313 -16.124 -11.698 334 2HD1 LEU 52 2HD1 LEU 52 4.758 -17.664 -12.398 335 3HD1 LEU 52 3HD1 LEU 52 6.054 -16.740 -13.194 336 1HD2 LEU 52 1HD2 LEU 52 4.433 -13.883 -14.087 337 2HD2 LEU 52 2HD2 LEU 52 5.809 -14.982 -14.346 338 3HD2 LEU 52 3HD2 LEU 52 4.386 -15.070 -15.413 339 H LYS 53 H LYS 53 3.001 -20.337 -14.367 340 HA LYS 53 HA LYS 53 1.094 -20.403 -16.540 341 1HB LYS 53 1HB LYS 53 2.795 -21.318 -17.819 342 2HB LYS 53 2HB LYS 53 3.559 -22.107 -16.454 343 1HG LYS 53 1HG LYS 53 1.596 -23.679 -16.293 344 2HG LYS 53 2HG LYS 53 0.887 -22.912 -17.700 345 1HD LYS 53 1HD LYS 53 1.994 -24.644 -18.769 346 2HD LYS 53 2HD LYS 53 3.283 -23.457 -18.787 347 1HE LYS 53 1HE LYS 53 3.857 -24.514 -16.391 348 2HE LYS 53 2HE LYS 53 2.967 -25.888 -17.017 349 1HZ LYS 53 1HZ LYS 53 5.393 -24.674 -18.107 350 2HZ LYS 53 2HZ LYS 53 5.141 -26.227 -17.671 351 3HZ LYS 53 3HZ LYS 53 4.450 -25.639 -19.028 352 H PHE 54 H PHE 54 -0.704 -21.665 -16.046 353 HA PHE 54 HA PHE 54 -0.537 -23.057 -13.465 354 1HB PHE 54 1HB PHE 54 -2.015 -21.321 -12.925 355 2HB PHE 54 2HB PHE 54 -2.319 -20.947 -14.610 356 HD1 PHE 54 HD1 PHE 54 -4.498 -21.188 -15.290 357 HD2 PHE 54 HD2 PHE 54 -3.030 -23.777 -12.266 358 HE1 PHE 54 HE1 PHE 54 -6.755 -22.272 -15.123 359 HE2 PHE 54 HE2 PHE 54 -5.287 -24.862 -12.099 360 HZ PHE 54 HZ PHE 54 -7.123 -24.096 -13.529 361 H GLN 55 H GLN 55 -0.728 -25.222 -13.780 362 HA GLN 55 HA GLN 55 -1.331 -27.141 -14.599 363 1HB GLN 55 1HB GLN 55 -3.553 -26.485 -13.761 364 2HB GLN 55 2HB GLN 55 -3.916 -25.667 -15.267 365 1HG GLN 55 1HG GLN 55 -3.457 -27.984 -16.404 366 2HG GLN 55 2HG GLN 55 -3.588 -28.652 -14.790 367 1HE2 GLN 55 2HE2 GLN 55 -5.517 -28.947 -13.872 368 2HE2 GLN 55 1HE2 GLN 55 -7.045 -28.523 -14.568 369 H ARG 56 H ARG 56 -3.545 -25.957 -17.051 370 HA ARG 56 HA ARG 56 -1.492 -26.553 -19.023 371 1HB ARG 56 1HB ARG 56 -4.510 -26.922 -19.004 372 2HB ARG 56 2HB ARG 56 -3.654 -26.834 -20.531 373 1HG ARG 56 1HG ARG 56 -2.436 -28.821 -20.124 374 2HG ARG 56 2HG ARG 56 -2.628 -28.707 -18.386 375 1HD ARG 56 1HD ARG 56 -4.287 -30.261 -18.670 376 2HD ARG 56 2HD ARG 56 -5.267 -28.900 -19.176 377 HE ARG 56 HE ARG 56 -4.069 -29.551 -21.529 378 1HH1 ARG 56 2HH2 ARG 56 -5.622 -31.576 -19.106 379 2HH1 ARG 56 1HH2 ARG 56 -6.122 -32.779 -20.247 380 1HH2 ARG 56 2HH1 ARG 56 -4.730 -31.138 -23.035 381 2HH2 ARG 56 1HH1 ARG 56 -5.611 -32.528 -22.497 382 H THR 57 H THR 57 -2.427 -23.937 -17.523 383 HA THR 57 HA THR 57 -2.855 -22.348 -19.969 384 HB THR 57 HB THR 57 -3.962 -22.101 -17.135 385 HG1 THR 57 HG1 THR 57 -4.874 -22.217 -19.918 386 1HG2 THR 57 1HG2 THR 57 -4.669 -20.080 -19.233 387 2HG2 THR 57 2HG2 THR 57 -4.543 -19.879 -17.469 388 3HG2 THR 57 3HG2 THR 57 -3.073 -19.873 -18.473 389 H VAL 58 H VAL 58 -1.417 -20.783 -20.455 390 HA VAL 58 HA VAL 58 0.867 -20.586 -18.673 391 HB VAL 58 HB VAL 58 1.883 -19.399 -20.584 392 1HG1 VAL 58 1HG1 VAL 58 2.179 -21.332 -21.976 393 2HG1 VAL 58 2HG1 VAL 58 1.984 -21.896 -20.299 394 3HG1 VAL 58 3HG1 VAL 58 0.628 -22.023 -21.445 395 1HG2 VAL 58 1HG2 VAL 58 0.781 -19.155 -22.688 396 2HG2 VAL 58 2HG2 VAL 58 -0.628 -20.091 -22.135 397 3HG2 VAL 58 3HG2 VAL 58 -0.308 -18.478 -21.453 398 H LEU 59 H LEU 59 1.531 -18.686 -17.644 399 HA LEU 59 HA LEU 59 -0.416 -16.491 -17.804 400 1HB LEU 59 1HB LEU 59 0.959 -17.771 -15.471 401 2HB LEU 59 2HB LEU 59 0.512 -16.079 -15.393 402 HG LEU 59 HG LEU 59 -1.213 -17.354 -14.350 403 1HD1 LEU 59 1HD1 LEU 59 -2.961 -16.266 -15.265 404 2HD1 LEU 59 2HD1 LEU 59 -1.700 -15.514 -16.270 405 3HD1 LEU 59 3HD1 LEU 59 -2.638 -16.888 -16.901 406 1HD2 LEU 59 1HD2 LEU 59 -2.453 -19.141 -15.463 407 2HD2 LEU 59 2HD2 LEU 59 -1.412 -18.984 -16.898 408 3HD2 LEU 59 3HD2 LEU 59 -0.720 -19.532 -15.353 409 H ASP 60 H ASP 60 0.395 -14.697 -18.732 410 HA ASP 60 HA ASP 60 3.198 -14.137 -18.224 411 1HB ASP 60 1HB ASP 60 2.516 -15.164 -20.611 412 2HB ASP 60 2HB ASP 60 2.018 -13.515 -20.935 413 H LEU 61 H LEU 61 3.015 -11.807 -20.159 414 HA LEU 61 HA LEU 61 1.525 -10.039 -18.404 415 1HB LEU 61 1HB LEU 61 3.278 -9.283 -20.733 416 2HB LEU 61 2HB LEU 61 2.759 -8.276 -19.396 417 HG LEU 61 HG LEU 61 4.448 -10.707 -18.864 418 1HD1 LEU 61 1HD1 LEU 61 6.058 -8.317 -19.069 419 2HD1 LEU 61 2HD1 LEU 61 6.277 -9.909 -19.834 420 3HD1 LEU 61 3HD1 LEU 61 5.263 -8.676 -20.621 421 1HD2 LEU 61 1HD2 LEU 61 4.322 -8.018 -17.475 422 2HD2 LEU 61 2HD2 LEU 61 3.373 -9.448 -17.002 423 3HD2 LEU 61 3HD2 LEU 61 5.150 -9.492 -16.917 424 H SER 62 H SER 62 1.643 -11.153 -21.827 425 HA SER 62 HA SER 62 -0.610 -9.497 -22.448 426 1HB SER 62 1HB SER 62 -0.388 -10.655 -24.719 427 2HB SER 62 2HB SER 62 0.991 -9.702 -24.208 428 HG SER 62 HG SER 62 0.817 -12.426 -24.703 429 H LEU 63 H LEU 63 -1.170 -11.310 -20.331 430 HA LEU 63 HA LEU 63 -3.237 -12.899 -21.617 431 1HB LEU 63 1HB LEU 63 -1.255 -14.065 -19.656 432 2HB LEU 63 2HB LEU 63 -2.691 -14.867 -20.262 433 HG LEU 63 HG LEU 63 -0.422 -13.941 -22.041 434 1HD1 LEU 63 1HD1 LEU 63 0.312 -16.289 -22.090 435 2HD1 LEU 63 2HD1 LEU 63 0.448 -15.574 -20.466 436 3HD1 LEU 63 3HD1 LEU 63 -0.892 -16.684 -20.840 437 1HD2 LEU 63 1HD2 LEU 63 -3.043 -15.171 -22.510 438 2HD2 LEU 63 2HD2 LEU 63 -1.960 -14.301 -23.623 439 3HD2 LEU 63 3HD2 LEU 63 -1.694 -16.030 -23.291 440 H GLN 64 H GLN 64 -5.060 -12.060 -20.759 441 HA GLN 64 HA GLN 64 -4.904 -11.049 -18.057 442 1HB GLN 64 1HB GLN 64 -7.253 -10.872 -19.987 443 2HB GLN 64 2HB GLN 64 -6.994 -9.911 -18.545 444 1HG GLN 64 1HG GLN 64 -6.116 -8.387 -20.019 445 2HG GLN 64 2HG GLN 64 -4.667 -9.360 -19.866 446 1HE2 GLN 64 2HE2 GLN 64 -5.424 -7.760 -22.086 447 2HE2 GLN 64 1HE2 GLN 64 -5.611 -8.779 -23.474 448 H TRP 65 H TRP 65 -6.652 -11.591 -16.473 449 HA TRP 65 HA TRP 65 -6.985 -14.364 -16.271 450 1HB TRP 65 1HB TRP 65 -6.876 -13.085 -14.293 451 2HB TRP 65 2HB TRP 65 -8.162 -12.011 -14.807 452 HD1 TRP 65 HD1 TRP 65 -10.524 -13.934 -15.453 453 HE1 TRP 65 HE1 TRP 65 -11.713 -15.482 -13.677 454 HE3 TRP 65 HE3 TRP 65 -6.651 -14.022 -12.160 455 HZ2 TRP 65 HZ2 TRP 65 -10.918 -16.546 -11.151 456 HZ3 TRP 65 HZ3 TRP 65 -6.939 -15.339 -10.063 457 HH2 TRP 65 HH2 TRP 65 -8.982 -16.573 -9.535 458 H ARG 66 H ARG 66 -9.032 -11.667 -17.481 459 HA ARG 66 HA ARG 66 -11.398 -13.009 -17.647 460 1HB ARG 66 1HB ARG 66 -11.997 -11.338 -19.405 461 2HB ARG 66 2HB ARG 66 -11.171 -10.580 -18.059 462 1HG ARG 66 1HG ARG 66 -9.079 -10.462 -19.284 463 2HG ARG 66 2HG ARG 66 -9.682 -11.515 -20.549 464 1HD ARG 66 1HD ARG 66 -10.996 -9.838 -21.524 465 2HD ARG 66 2HD ARG 66 -11.226 -8.983 -20.012 466 HE ARG 66 HE ARG 66 -8.486 -8.777 -20.505 467 1HH1 ARG 66 2HH2 ARG 66 -11.412 -7.919 -22.261 468 2HH1 ARG 66 1HH2 ARG 66 -10.676 -6.590 -23.093 469 1HH2 ARG 66 2HH1 ARG 66 -7.515 -7.023 -21.602 470 2HH2 ARG 66 1HH1 ARG 66 -8.444 -6.077 -22.715 471 H PHE 67 H PHE 67 -8.465 -13.260 -19.610 472 HA PHE 67 HA PHE 67 -9.894 -14.837 -21.610 473 1HB PHE 67 1HB PHE 67 -7.213 -13.403 -21.334 474 2HB PHE 67 2HB PHE 67 -7.365 -14.666 -22.538 475 HD1 PHE 67 HD1 PHE 67 -8.101 -11.242 -21.715 476 HD2 PHE 67 HD2 PHE 67 -9.081 -14.411 -24.362 477 HE1 PHE 67 HE1 PHE 67 -9.102 -9.592 -23.319 478 HE2 PHE 67 HE2 PHE 67 -10.082 -12.760 -25.967 479 HZ PHE 67 HZ PHE 67 -10.080 -10.371 -25.426 480 H ALA 68 H ALA 68 -6.860 -14.950 -19.601 481 HA ALA 68 HA ALA 68 -6.291 -17.619 -20.142 482 1HB ALA 68 1HB ALA 68 -4.734 -17.424 -18.313 483 2HB ALA 68 2HB ALA 68 -4.783 -15.848 -19.138 484 3HB ALA 68 3HB ALA 68 -5.651 -16.074 -17.601 485 H ASN 69 H ASN 69 -8.789 -16.134 -18.217 486 HA ASN 69 HA ASN 69 -10.170 -16.889 -16.697 487 1HB ASN 69 1HB ASN 69 -11.327 -19.041 -17.336 488 2HB ASN 69 2HB ASN 69 -11.125 -17.958 -18.699 489 1HD2 ASN 69 2HD2 ASN 69 -9.416 -18.322 -20.194 490 2HD2 ASN 69 1HD2 ASN 69 -8.771 -19.907 -20.458 491 H LEU 70 H LEU 70 -8.933 -17.098 -14.742 492 HA LEU 70 HA LEU 70 -7.658 -19.703 -14.317 493 1HB LEU 70 1HB LEU 70 -7.252 -17.211 -12.678 494 2HB LEU 70 2HB LEU 70 -6.269 -18.661 -12.715 495 HG LEU 70 HG LEU 70 -6.570 -16.954 -15.179 496 1HD1 LEU 70 1HD1 LEU 70 -5.895 -15.505 -13.252 497 2HD1 LEU 70 2HD1 LEU 70 -4.448 -16.525 -13.064 498 3HD1 LEU 70 3HD1 LEU 70 -4.698 -15.603 -14.566 499 1HD2 LEU 70 1HD2 LEU 70 -4.128 -17.870 -15.392 500 2HD2 LEU 70 2HD2 LEU 70 -4.692 -19.086 -14.221 501 3HD2 LEU 70 3HD2 LEU 70 -5.518 -18.909 -15.788 502 HA PRO 71 HA PRO 71 -10.600 -20.671 -11.313 503 1HB PRO 71 1HB PRO 71 -9.192 -22.224 -9.559 504 2HB PRO 71 2HB PRO 71 -9.801 -22.819 -11.090 505 1HG PRO 71 1HG PRO 71 -7.028 -22.115 -10.346 506 2HG PRO 71 2HG PRO 71 -7.590 -23.092 -11.688 507 1HD PRO 71 1HD PRO 71 -6.665 -20.379 -11.809 508 2HD PRO 71 2HD PRO 71 -7.335 -21.318 -13.128 509 H ASN 72 H ASN 72 -11.190 -20.721 -8.897 510 HA ASN 72 HA ASN 72 -11.275 -18.305 -7.942 511 1HB ASN 72 1HB ASN 72 -10.845 -19.549 -5.553 512 2HB ASN 72 2HB ASN 72 -12.322 -19.763 -6.472 513 1HD2 ASN 72 2HD2 ASN 72 -10.124 -21.366 -4.776 514 2HD2 ASN 72 1HD2 ASN 72 -10.106 -22.914 -5.552 515 H ASN 73 H ASN 73 -9.003 -20.348 -6.049 516 HA ASN 73 HA ASN 73 -7.354 -18.213 -5.452 517 1HB ASN 73 1HB ASN 73 -7.581 -20.988 -4.761 518 2HB ASN 73 2HB ASN 73 -5.928 -20.762 -5.298 519 1HD2 ASN 73 2HD2 ASN 73 -4.500 -19.938 -3.955 520 2HD2 ASN 73 1HD2 ASN 73 -4.826 -19.149 -2.448 521 H ALA 74 H ALA 74 -7.802 -19.731 -8.399 522 HA ALA 74 HA ALA 74 -6.387 -20.391 -10.083 523 1HB ALA 74 1HB ALA 74 -6.350 -17.434 -9.564 524 2HB ALA 74 2HB ALA 74 -5.314 -18.075 -10.861 525 3HB ALA 74 3HB ALA 74 -7.072 -18.345 -10.911 526 H LYS 75 H LYS 75 -4.858 -21.856 -9.180 527 HA LYS 75 HA LYS 75 -2.475 -20.729 -7.991 528 1HB LYS 75 1HB LYS 75 -1.887 -23.015 -7.495 529 2HB LYS 75 2HB LYS 75 -3.553 -22.732 -7.033 530 1HG LYS 75 1HG LYS 75 -3.667 -23.580 -9.746 531 2HG LYS 75 2HG LYS 75 -2.481 -24.624 -8.988 532 1HD LYS 75 1HD LYS 75 -4.194 -25.829 -8.120 533 2HD LYS 75 2HD LYS 75 -4.566 -24.462 -7.089 534 1HE LYS 75 1HE LYS 75 -6.276 -23.675 -8.502 535 2HE LYS 75 2HE LYS 75 -5.583 -24.412 -9.933 536 1HZ LYS 75 1HZ LYS 75 -6.960 -25.792 -7.740 537 2HZ LYS 75 2HZ LYS 75 -7.450 -25.664 -9.292 538 3HZ LYS 75 3HZ LYS 75 -6.150 -26.579 -8.920 539 H LEU 76 H LEU 76 -0.698 -20.161 -9.120 540 HA LEU 76 HA LEU 76 -0.373 -21.403 -11.762 541 1HB LEU 76 1HB LEU 76 0.667 -18.664 -11.271 542 2HB LEU 76 2HB LEU 76 0.110 -19.413 -12.754 543 HG LEU 76 HG LEU 76 -1.961 -18.938 -10.677 544 1HD1 LEU 76 1HD1 LEU 76 -1.383 -16.813 -10.305 545 2HD1 LEU 76 2HD1 LEU 76 -0.218 -16.796 -11.651 546 3HD1 LEU 76 3HD1 LEU 76 -1.945 -16.504 -11.965 547 1HD2 LEU 76 1HD2 LEU 76 -3.206 -19.449 -12.440 548 2HD2 LEU 76 2HD2 LEU 76 -2.711 -17.909 -13.183 549 3HD2 LEU 76 3HD2 LEU 76 -1.791 -19.396 -13.519 550 H GLU 77 H GLU 77 1.867 -21.681 -12.467 551 HA GLU 77 HA GLU 77 3.578 -22.008 -10.139 552 1HB GLU 77 1HB GLU 77 4.753 -23.718 -11.405 553 2HB GLU 77 2HB GLU 77 3.034 -24.045 -11.500 554 1HG GLU 77 1HG GLU 77 3.066 -23.872 -13.761 555 2HG GLU 77 2HG GLU 77 3.763 -22.266 -13.674 556 H MET 78 H MET 78 5.758 -21.227 -10.153 557 HA MET 78 HA MET 78 6.125 -19.103 -12.094 558 1HB MET 78 1HB MET 78 6.400 -19.193 -9.323 559 2HB MET 78 2HB MET 78 8.059 -19.438 -9.831 560 1HG MET 78 1HG MET 78 7.396 -17.369 -11.489 561 2HG MET 78 2HG MET 78 6.309 -17.023 -10.158 562 1HE MET 78 1HE MET 78 9.660 -17.388 -11.551 563 2HE MET 78 2HE MET 78 9.609 -15.633 -11.257 564 3HE MET 78 3HE MET 78 10.788 -16.647 -10.390 565 H VAL 79 H VAL 79 7.838 -19.061 -13.552 566 HA VAL 79 HA VAL 79 9.974 -20.995 -13.207 567 HB VAL 79 HB VAL 79 7.954 -21.944 -14.542 568 1HG1 VAL 79 1HG1 VAL 79 7.578 -20.062 -16.022 569 2HG1 VAL 79 2HG1 VAL 79 9.250 -20.156 -16.626 570 3HG1 VAL 79 3HG1 VAL 79 8.101 -21.468 -16.980 571 1HG2 VAL 79 1HG2 VAL 79 9.404 -23.381 -15.719 572 2HG2 VAL 79 2HG2 VAL 79 10.642 -22.118 -15.917 573 3HG2 VAL 79 3HG2 VAL 79 10.352 -22.837 -14.314 574 HA PRO 80 HA PRO 80 12.060 -17.521 -14.751 575 1HB PRO 80 1HB PRO 80 14.568 -18.585 -14.959 576 2HB PRO 80 2HB PRO 80 13.908 -17.976 -13.454 577 1HG PRO 80 1HG PRO 80 14.288 -20.779 -14.310 578 2HG PRO 80 2HG PRO 80 14.040 -20.149 -12.694 579 1HD PRO 80 1HD PRO 80 12.098 -21.476 -14.336 580 2HD PRO 80 2HD PRO 80 11.820 -20.743 -12.769 581 H VAL 81 H VAL 81 12.249 -16.501 -16.660 582 HA VAL 81 HA VAL 81 13.496 -17.363 -18.849 583 HB VAL 81 HB VAL 81 12.050 -19.421 -18.597 584 1HG1 VAL 81 1HG1 VAL 81 9.792 -19.393 -18.844 585 2HG1 VAL 81 2HG1 VAL 81 9.977 -17.727 -18.245 586 3HG1 VAL 81 3HG1 VAL 81 9.821 -18.033 -19.991 587 1HG2 VAL 81 1HG2 VAL 81 12.626 -19.740 -20.726 588 2HG2 VAL 81 2HG2 VAL 81 11.296 -18.690 -21.269 589 3HG2 VAL 81 3HG2 VAL 81 12.891 -17.989 -20.905 590 H SER 82 H SER 82 11.380 -16.817 -20.871 591 HA SER 82 HA SER 82 10.661 -14.121 -20.037 592 1HB SER 82 1HB SER 82 11.495 -13.146 -22.009 593 2HB SER 82 2HB SER 82 12.736 -14.314 -21.602 594 HG SER 82 HG SER 82 11.572 -15.827 -23.099 595 H ARG 83 H ARG 83 9.075 -13.184 -21.926 596 HA ARG 83 HA ARG 83 6.758 -14.467 -21.726 597 1HB ARG 83 1HB ARG 83 7.826 -12.755 -24.015 598 2HB ARG 83 2HB ARG 83 6.154 -13.278 -23.963 599 1HG ARG 83 1HG ARG 83 5.701 -11.503 -22.628 600 2HG ARG 83 2HG ARG 83 6.650 -12.266 -21.368 601 1HD ARG 83 1HD ARG 83 7.653 -10.117 -21.642 602 2HD ARG 83 2HD ARG 83 8.734 -11.208 -22.486 603 HE ARG 83 HE ARG 83 6.663 -10.144 -24.242 604 1HH1 ARG 83 2HH2 ARG 83 9.796 -9.456 -22.797 605 2HH1 ARG 83 1HH2 ARG 83 10.264 -8.337 -24.034 606 1HH2 ARG 83 2HH1 ARG 83 7.279 -8.668 -25.874 607 2HH2 ARG 83 1HH1 ARG 83 8.823 -7.886 -25.796 608 H SER 84 H SER 84 8.993 -14.689 -24.597 609 HA SER 84 HA SER 84 8.365 -17.442 -24.874 610 1HB SER 84 1HB SER 84 6.786 -15.536 -26.340 611 2HB SER 84 2HB SER 84 7.830 -16.347 -27.491 612 HG SER 84 HG SER 84 6.260 -17.785 -25.534 613 H ARG 85 H ARG 85 9.864 -18.511 -26.361 614 HA ARG 85 HA ARG 85 12.317 -17.183 -26.484 615 1HB ARG 85 1HB ARG 85 11.293 -19.802 -27.667 616 2HB ARG 85 2HB ARG 85 12.946 -19.274 -27.908 617 1HG ARG 85 1HG ARG 85 13.407 -19.311 -25.528 618 2HG ARG 85 2HG ARG 85 11.709 -19.480 -25.130 619 1HD ARG 85 1HD ARG 85 11.685 -21.749 -25.575 620 2HD ARG 85 2HD ARG 85 12.787 -21.607 -26.930 621 HE ARG 85 HE ARG 85 14.627 -21.850 -25.466 622 1HH1 ARG 85 2HH2 ARG 85 11.648 -21.456 -23.635 623 2HH1 ARG 85 1HH2 ARG 85 12.366 -21.904 -22.124 624 1HH2 ARG 85 2HH1 ARG 85 15.575 -22.442 -23.473 625 2HH2 ARG 85 1HH1 ARG 85 14.616 -22.469 -22.031 Start of MODEL 3 1 H SER 10 H SER 10 -11.970 -12.706 -6.632 2 HA SER 10 HA SER 10 -11.166 -15.427 -7.264 3 1HB SER 10 1HB SER 10 -10.818 -12.775 -8.706 4 2HB SER 10 2HB SER 10 -9.867 -14.180 -9.148 5 HG SER 10 HG SER 10 -12.760 -14.010 -9.137 6 H ALA 11 H ALA 11 -8.884 -16.010 -7.182 7 HA ALA 11 HA ALA 11 -7.088 -14.065 -5.994 8 1HB ALA 11 1HB ALA 11 -8.343 -16.319 -4.546 9 2HB ALA 11 2HB ALA 11 -6.569 -16.259 -4.419 10 3HB ALA 11 3HB ALA 11 -7.545 -14.858 -3.918 11 H VAL 12 H VAL 12 -4.904 -14.496 -6.488 12 HA VAL 12 HA VAL 12 -4.519 -16.840 -8.220 13 HB VAL 12 HB VAL 12 -4.181 -14.038 -8.723 14 1HG1 VAL 12 1HG1 VAL 12 -1.640 -15.693 -8.849 15 2HG1 VAL 12 2HG1 VAL 12 -1.872 -14.145 -9.696 16 3HG1 VAL 12 3HG1 VAL 12 -1.918 -14.202 -7.918 17 1HG2 VAL 12 1HG2 VAL 12 -3.718 -14.873 -11.030 18 2HG2 VAL 12 2HG2 VAL 12 -3.697 -16.532 -10.385 19 3HG2 VAL 12 3HG2 VAL 12 -5.188 -15.564 -10.303 20 H SER 13 H SER 13 -2.738 -18.139 -7.815 21 HA SER 13 HA SER 13 -1.062 -17.229 -5.607 22 1HB SER 13 1HB SER 13 -2.679 -19.047 -4.950 23 2HB SER 13 2HB SER 13 -1.958 -20.093 -6.158 24 HG SER 13 HG SER 13 0.133 -19.278 -4.804 25 H VAL 14 H VAL 14 1.177 -17.492 -5.886 26 HA VAL 14 HA VAL 14 1.974 -18.813 -8.389 27 HB VAL 14 HB VAL 14 3.682 -16.676 -7.269 28 1HG1 VAL 14 1HG1 VAL 14 3.085 -17.954 -9.843 29 2HG1 VAL 14 2HG1 VAL 14 3.236 -16.184 -9.952 30 3HG1 VAL 14 3HG1 VAL 14 4.569 -17.151 -9.277 31 1HG2 VAL 14 1HG2 VAL 14 1.706 -15.471 -6.887 32 2HG2 VAL 14 2HG2 VAL 14 2.216 -14.950 -8.511 33 3HG2 VAL 14 3HG2 VAL 14 0.905 -16.141 -8.329 34 H LEU 15 H LEU 15 3.119 -20.633 -8.017 35 HA LEU 15 HA LEU 15 4.489 -20.831 -5.437 36 1HB LEU 15 1HB LEU 15 4.203 -23.118 -5.525 37 2HB LEU 15 2HB LEU 15 2.692 -22.481 -6.145 38 HG LEU 15 HG LEU 15 4.032 -22.821 -8.477 39 1HD1 LEU 15 1HD1 LEU 15 5.913 -23.844 -6.958 40 2HD1 LEU 15 2HD1 LEU 15 4.877 -25.290 -7.005 41 3HD1 LEU 15 3HD1 LEU 15 5.497 -24.590 -8.520 42 1HD2 LEU 15 1HD2 LEU 15 1.993 -24.252 -6.968 43 2HD2 LEU 15 2HD2 LEU 15 2.078 -23.863 -8.703 44 3HD2 LEU 15 3HD2 LEU 15 2.888 -25.319 -8.076 45 H ALA 16 H ALA 16 6.580 -20.204 -5.522 46 HA ALA 16 HA ALA 16 8.002 -20.343 -8.020 47 1HB ALA 16 1HB ALA 16 9.360 -19.678 -5.440 48 2HB ALA 16 2HB ALA 16 9.457 -18.872 -7.024 49 3HB ALA 16 3HB ALA 16 8.050 -18.596 -5.970 50 HA PRO 17 HA PRO 17 9.645 -24.276 -7.158 51 1HB PRO 17 1HB PRO 17 11.348 -24.470 -9.287 52 2HB PRO 17 2HB PRO 17 9.639 -24.844 -9.390 53 1HG PRO 17 1HG PRO 17 11.079 -22.463 -10.388 54 2HG PRO 17 2HG PRO 17 9.492 -23.055 -10.838 55 1HD PRO 17 1HD PRO 17 10.071 -20.839 -9.112 56 2HD PRO 17 2HD PRO 17 8.489 -21.504 -9.470 57 H ASN 18 H ASN 18 11.243 -21.378 -6.933 58 HA ASN 18 HA ASN 18 13.794 -22.494 -6.406 59 1HB ASN 18 1HB ASN 18 14.418 -20.188 -5.800 60 2HB ASN 18 2HB ASN 18 13.444 -20.144 -7.255 61 1HD2 ASN 18 2HD2 ASN 18 12.358 -18.319 -7.177 62 2HD2 ASN 18 1HD2 ASN 18 11.359 -17.759 -5.879 63 H GLY 19 H GLY 19 10.940 -22.790 -4.793 64 1HA GLY 19 1HA GLY 19 10.732 -23.739 -2.682 65 2HA GLY 19 2HA GLY 19 12.253 -23.023 -2.187 66 H ARG 20 H ARG 20 10.172 -20.879 -3.986 67 HA ARG 20 HA ARG 20 9.422 -19.647 -1.458 68 1HB ARG 20 1HB ARG 20 10.211 -18.487 -4.150 69 2HB ARG 20 2HB ARG 20 9.198 -17.544 -3.076 70 1HG ARG 20 1HG ARG 20 11.648 -18.804 -1.871 71 2HG ARG 20 2HG ARG 20 11.908 -17.466 -2.973 72 1HD ARG 20 1HD ARG 20 11.037 -15.919 -1.510 73 2HD ARG 20 2HD ARG 20 9.731 -16.976 -1.009 74 HE ARG 20 HE ARG 20 12.351 -17.852 -0.035 75 1HH1 ARG 20 2HH2 ARG 20 9.586 -15.777 0.616 76 2HH1 ARG 20 1HH2 ARG 20 9.876 -15.709 2.322 77 1HH2 ARG 20 2HH1 ARG 20 12.735 -17.763 2.215 78 2HH2 ARG 20 1HH1 ARG 20 11.680 -16.847 3.238 79 H ARG 21 H ARG 21 7.250 -19.871 -1.025 80 HA ARG 21 HA ARG 21 5.504 -20.084 -3.341 81 1HB ARG 21 1HB ARG 21 5.666 -21.529 -0.789 82 2HB ARG 21 2HB ARG 21 4.064 -20.855 -1.014 83 1HG ARG 21 1HG ARG 21 5.057 -22.043 -3.506 84 2HG ARG 21 2HG ARG 21 5.096 -23.210 -2.199 85 1HD ARG 21 1HD ARG 21 2.607 -21.838 -1.929 86 2HD ARG 21 2HD ARG 21 2.788 -22.157 -3.642 87 HE ARG 21 HE ARG 21 3.450 -24.476 -1.987 88 1HH1 ARG 21 2HH2 ARG 21 0.830 -22.720 -3.548 89 2HH1 ARG 21 1HH2 ARG 21 -0.218 -24.097 -3.625 90 1HH2 ARG 21 2HH1 ARG 21 2.068 -26.293 -2.088 91 2HH2 ARG 21 1HH1 ARG 21 0.491 -26.143 -2.788 92 H HIS 22 H HIS 22 4.308 -18.252 -3.748 93 HA HIS 22 HA HIS 22 3.288 -16.791 -1.448 94 1HB HIS 22 1HB HIS 22 3.987 -14.665 -2.271 95 2HB HIS 22 2HB HIS 22 5.400 -15.696 -2.167 96 HD1 HIS 22 HD1 HIS 22 5.680 -17.095 -4.731 97 HD2 HIS 22 HD2 HIS 22 4.104 -13.211 -4.564 98 HE1 HIS 22 HE1 HIS 22 5.983 -16.099 -7.061 99 H THR 23 H THR 23 1.212 -15.963 -1.760 100 HA THR 23 HA THR 23 0.074 -16.454 -4.434 101 HB THR 23 HB THR 23 -0.831 -18.129 -2.961 102 HG1 THR 23 HG1 THR 23 -2.322 -16.507 -4.133 103 1HG2 THR 23 1HG2 THR 23 -1.776 -17.605 -0.746 104 2HG2 THR 23 2HG2 THR 23 -0.082 -17.062 -0.780 105 3HG2 THR 23 3HG2 THR 23 -1.399 -15.879 -0.961 106 H VAL 24 H VAL 24 -0.955 -14.812 -5.433 107 HA VAL 24 HA VAL 24 -1.395 -12.409 -3.798 108 HB VAL 24 HB VAL 24 -0.409 -12.675 -6.643 109 1HG1 VAL 24 1HG1 VAL 24 -0.860 -10.069 -5.175 110 2HG1 VAL 24 2HG1 VAL 24 -0.540 -10.334 -6.906 111 3HG1 VAL 24 3HG1 VAL 24 -2.109 -10.805 -6.209 112 1HG2 VAL 24 1HG2 VAL 24 1.515 -12.887 -5.428 113 2HG2 VAL 24 2HG2 VAL 24 1.405 -11.111 -5.455 114 3HG2 VAL 24 3HG2 VAL 24 0.859 -12.014 -4.022 115 H LYS 25 H LYS 25 -3.486 -11.776 -3.680 116 HA LYS 25 HA LYS 25 -5.420 -13.183 -5.260 117 1HB LYS 25 1HB LYS 25 -7.039 -11.830 -3.918 118 2HB LYS 25 2HB LYS 25 -5.944 -12.810 -2.965 119 1HG LYS 25 1HG LYS 25 -4.982 -10.044 -3.573 120 2HG LYS 25 2HG LYS 25 -6.383 -10.136 -2.525 121 1HD LYS 25 1HD LYS 25 -4.516 -12.151 -1.650 122 2HD LYS 25 2HD LYS 25 -3.616 -10.664 -1.875 123 1HE LYS 25 1HE LYS 25 -6.265 -10.620 -0.391 124 2HE LYS 25 2HE LYS 25 -4.805 -11.122 0.439 125 1HZ LYS 25 1HZ LYS 25 -3.841 -8.984 -0.478 126 2HZ LYS 25 2HZ LYS 25 -5.380 -8.529 -0.777 127 3HZ LYS 25 3HZ LYS 25 -4.907 -8.856 0.752 128 H VAL 26 H VAL 26 -5.807 -12.645 -7.338 129 HA VAL 26 HA VAL 26 -5.642 -9.787 -8.005 130 HB VAL 26 HB VAL 26 -4.986 -10.401 -10.187 131 1HG1 VAL 26 1HG1 VAL 26 -3.540 -11.450 -7.881 132 2HG1 VAL 26 2HG1 VAL 26 -3.158 -12.343 -9.373 133 3HG1 VAL 26 3HG1 VAL 26 -2.935 -10.578 -9.311 134 1HG2 VAL 26 1HG2 VAL 26 -6.166 -12.183 -10.977 135 2HG2 VAL 26 2HG2 VAL 26 -4.671 -13.045 -10.541 136 3HG2 VAL 26 3HG2 VAL 26 -6.069 -13.075 -9.439 137 H THR 27 H THR 27 -7.149 -9.228 -9.946 138 HA THR 27 HA THR 27 -9.778 -10.321 -9.264 139 HB THR 27 HB THR 27 -9.477 -7.972 -11.093 140 HG1 THR 27 HG1 THR 27 -8.270 -8.359 -8.509 141 1HG2 THR 27 1HG2 THR 27 -10.814 -7.224 -8.748 142 2HG2 THR 27 2HG2 THR 27 -11.603 -7.796 -10.238 143 3HG2 THR 27 3HG2 THR 27 -11.248 -8.941 -8.923 144 HA PRO 28 HA PRO 28 -10.169 -12.379 -13.007 145 1HB PRO 28 1HB PRO 28 -12.879 -12.387 -13.363 146 2HB PRO 28 2HB PRO 28 -12.051 -13.492 -12.284 147 1HG PRO 28 1HG PRO 28 -13.665 -11.108 -11.614 148 2HG PRO 28 2HG PRO 28 -13.195 -12.442 -10.579 149 1HD PRO 28 1HD PRO 28 -12.047 -9.813 -10.618 150 2HD PRO 28 2HD PRO 28 -11.503 -11.181 -9.667 151 H SER 29 H SER 29 -10.999 -9.141 -12.726 152 HA SER 29 HA SER 29 -11.263 -9.009 -15.626 153 1HB SER 29 1HB SER 29 -12.164 -6.633 -15.068 154 2HB SER 29 2HB SER 29 -13.202 -8.007 -14.741 155 HG SER 29 HG SER 29 -13.261 -6.735 -12.889 156 H THR 30 H THR 30 -9.062 -8.679 -13.106 157 HA THR 30 HA THR 30 -7.728 -6.319 -14.159 158 HB THR 30 HB THR 30 -7.450 -8.151 -11.746 159 HG1 THR 30 HG1 THR 30 -8.860 -6.120 -12.076 160 1HG2 THR 30 1HG2 THR 30 -5.566 -5.841 -12.418 161 2HG2 THR 30 2HG2 THR 30 -5.452 -6.979 -11.053 162 3HG2 THR 30 3HG2 THR 30 -5.120 -7.539 -12.710 163 H VAL 31 H VAL 31 -5.798 -6.268 -15.263 164 HA VAL 31 HA VAL 31 -5.190 -8.671 -16.692 165 HB VAL 31 HB VAL 31 -3.420 -7.149 -17.694 166 1HG1 VAL 31 1HG1 VAL 31 -4.995 -6.921 -19.254 167 2HG1 VAL 31 2HG1 VAL 31 -6.258 -7.255 -18.045 168 3HG1 VAL 31 3HG1 VAL 31 -5.718 -5.582 -18.330 169 1HG2 VAL 31 1HG2 VAL 31 -3.698 -5.613 -15.518 170 2HG2 VAL 31 2HG2 VAL 31 -3.196 -4.958 -17.095 171 3HG2 VAL 31 3HG2 VAL 31 -4.890 -4.810 -16.567 172 H LEU 32 H LEU 32 -3.657 -10.173 -16.219 173 HA LEU 32 HA LEU 32 -2.392 -10.176 -13.754 174 1HB LEU 32 1HB LEU 32 -1.792 -11.692 -16.295 175 2HB LEU 32 2HB LEU 32 -1.048 -12.037 -14.746 176 HG LEU 32 HG LEU 32 -4.030 -11.996 -14.845 177 1HD1 LEU 32 1HD1 LEU 32 -3.527 -14.613 -15.464 178 2HD1 LEU 32 2HD1 LEU 32 -4.112 -13.378 -16.604 179 3HD1 LEU 32 3HD1 LEU 32 -2.375 -13.758 -16.517 180 1HD2 LEU 32 1HD2 LEU 32 -2.276 -12.549 -12.883 181 2HD2 LEU 32 2HD2 LEU 32 -3.900 -13.272 -12.983 182 3HD2 LEU 32 3HD2 LEU 32 -2.483 -14.180 -13.564 183 H LEU 33 H LEU 33 -1.616 -8.508 -16.718 184 HA LEU 33 HA LEU 33 1.165 -8.339 -16.381 185 1HB LEU 33 1HB LEU 33 1.070 -6.611 -18.026 186 2HB LEU 33 2HB LEU 33 -0.010 -7.915 -18.481 187 HG LEU 33 HG LEU 33 -1.756 -6.288 -17.181 188 1HD1 LEU 33 1HD1 LEU 33 -0.017 -4.583 -16.778 189 2HD1 LEU 33 2HD1 LEU 33 0.198 -4.411 -18.537 190 3HD1 LEU 33 3HD1 LEU 33 -1.355 -3.978 -17.784 191 1HD2 LEU 33 1HD2 LEU 33 -2.756 -6.078 -19.204 192 2HD2 LEU 33 2HD2 LEU 33 -1.255 -5.592 -20.028 193 3HD2 LEU 33 3HD2 LEU 33 -1.547 -7.306 -19.647 194 H GLN 34 H GLN 34 -1.588 -6.286 -15.267 195 HA GLN 34 HA GLN 34 0.078 -4.354 -14.124 196 1HB GLN 34 1HB GLN 34 -1.908 -3.362 -13.336 197 2HB GLN 34 2HB GLN 34 -2.440 -4.223 -14.766 198 1HG GLN 34 1HG GLN 34 -4.048 -4.990 -13.286 199 2HG GLN 34 2HG GLN 34 -2.828 -6.217 -13.004 200 1HE2 GLN 34 2HE2 GLN 34 -4.584 -3.564 -11.735 201 2HE2 GLN 34 1HE2 GLN 34 -3.937 -3.546 -10.128 202 H VAL 35 H VAL 35 -1.433 -7.382 -12.925 203 HA VAL 35 HA VAL 35 -0.727 -6.916 -10.213 204 HB VAL 35 HB VAL 35 -1.807 -8.862 -9.801 205 1HG1 VAL 35 1HG1 VAL 35 -2.841 -8.642 -12.626 206 2HG1 VAL 35 2HG1 VAL 35 -3.727 -9.006 -11.125 207 3HG1 VAL 35 3HG1 VAL 35 -3.142 -7.354 -11.435 208 1HG2 VAL 35 1HG2 VAL 35 -0.059 -10.251 -10.927 209 2HG2 VAL 35 2HG2 VAL 35 -1.711 -10.889 -11.107 210 3HG2 VAL 35 3HG2 VAL 35 -0.934 -10.034 -12.462 211 H LEU 36 H LEU 36 0.640 -8.928 -12.903 212 HA LEU 36 HA LEU 36 2.759 -9.955 -11.413 213 1HB LEU 36 1HB LEU 36 2.002 -10.923 -13.490 214 2HB LEU 36 2HB LEU 36 2.437 -9.476 -14.377 215 HG LEU 36 HG LEU 36 4.780 -9.873 -14.059 216 1HD1 LEU 36 1HD1 LEU 36 3.977 -12.155 -12.235 217 2HD1 LEU 36 2HD1 LEU 36 5.632 -11.833 -12.807 218 3HD1 LEU 36 3HD1 LEU 36 4.800 -10.646 -11.773 219 1HD2 LEU 36 1HD2 LEU 36 3.035 -11.803 -15.315 220 2HD2 LEU 36 2HD2 LEU 36 4.613 -11.175 -15.848 221 3HD2 LEU 36 3HD2 LEU 36 4.537 -12.579 -14.756 222 H GLU 37 H GLU 37 2.352 -6.904 -13.261 223 HA GLU 37 HA GLU 37 5.032 -6.170 -13.136 224 1HB GLU 37 1HB GLU 37 2.451 -4.611 -13.504 225 2HB GLU 37 2HB GLU 37 4.005 -3.801 -13.482 226 1HG GLU 37 1HG GLU 37 3.758 -6.215 -15.258 227 2HG GLU 37 2HG GLU 37 2.895 -4.774 -15.758 228 H ASP 38 H ASP 38 2.208 -5.538 -10.977 229 HA ASP 38 HA ASP 38 3.447 -3.737 -9.319 230 1HB ASP 38 1HB ASP 38 1.113 -5.572 -9.202 231 2HB ASP 38 2HB ASP 38 1.774 -5.183 -7.626 232 H THR 39 H THR 39 3.016 -7.345 -9.000 233 HA THR 39 HA THR 39 4.543 -7.596 -6.655 234 HB THR 39 HB THR 39 3.950 -9.633 -8.865 235 HG1 THR 39 HG1 THR 39 2.082 -9.946 -7.305 236 1HG2 THR 39 1HG2 THR 39 4.559 -11.265 -7.364 237 2HG2 THR 39 2HG2 THR 39 5.458 -9.971 -6.536 238 3HG2 THR 39 3HG2 THR 39 3.814 -10.396 -6.001 239 H CYS 40 H CYS 40 5.420 -7.507 -10.110 240 HA CYS 40 HA CYS 40 8.019 -8.501 -9.729 241 1HB CYS 40 1HB CYS 40 6.618 -7.009 -11.932 242 2HB CYS 40 2HB CYS 40 8.360 -7.191 -11.990 243 HG CYS 40 HG CYS 40 8.442 -9.430 -12.749 244 H ARG 41 H ARG 41 6.450 -5.279 -9.566 245 HA ARG 41 HA ARG 41 8.825 -3.826 -9.511 246 1HB ARG 41 1HB ARG 41 7.377 -2.058 -9.512 247 2HB ARG 41 2HB ARG 41 6.090 -3.246 -9.588 248 1HG ARG 41 1HG ARG 41 5.893 -3.278 -7.139 249 2HG ARG 41 2HG ARG 41 7.301 -2.249 -6.968 250 1HD ARG 41 1HD ARG 41 6.022 -0.485 -8.361 251 2HD ARG 41 2HD ARG 41 4.601 -1.493 -8.172 252 HE ARG 41 HE ARG 41 5.775 -1.088 -5.591 253 1HH1 ARG 41 2HH2 ARG 41 4.041 0.694 -8.080 254 2HH1 ARG 41 1HH2 ARG 41 3.351 1.829 -6.966 255 1HH2 ARG 41 2HH1 ARG 41 4.866 0.407 -4.122 256 2HH2 ARG 41 1HH1 ARG 41 3.824 1.664 -4.700 257 H ARG 42 H ARG 42 6.590 -5.043 -6.923 258 HA ARG 42 HA ARG 42 8.202 -3.991 -4.868 259 1HB ARG 42 1HB ARG 42 6.701 -5.619 -3.450 260 2HB ARG 42 2HB ARG 42 5.931 -4.268 -4.257 261 1HG ARG 42 1HG ARG 42 5.984 -6.362 -6.184 262 2HG ARG 42 2HG ARG 42 5.528 -7.132 -4.677 263 1HD ARG 42 1HD ARG 42 4.181 -4.628 -5.802 264 2HD ARG 42 2HD ARG 42 3.556 -6.254 -5.993 265 HE ARG 42 HE ARG 42 4.093 -5.413 -3.208 266 1HH1 ARG 42 2HH2 ARG 42 1.719 -5.792 -5.778 267 2HH1 ARG 42 1HH2 ARG 42 0.362 -5.765 -4.703 268 1HH2 ARG 42 2HH1 ARG 42 2.303 -5.378 -1.789 269 2HH2 ARG 42 1HH1 ARG 42 0.696 -5.528 -2.418 270 H GLN 43 H GLN 43 7.841 -7.143 -6.543 271 HA GLN 43 HA GLN 43 9.711 -8.357 -4.718 272 1HB GLN 43 1HB GLN 43 8.965 -10.399 -5.521 273 2HB GLN 43 2HB GLN 43 7.548 -9.421 -5.847 274 1HG GLN 43 1HG GLN 43 8.830 -8.959 -8.169 275 2HG GLN 43 2HG GLN 43 9.614 -10.476 -7.776 276 1HE2 GLN 43 2HE2 GLN 43 7.949 -12.135 -6.804 277 2HE2 GLN 43 1HE2 GLN 43 6.530 -12.399 -7.761 278 H ASP 44 H ASP 44 10.037 -6.223 -7.169 279 HA ASP 44 HA ASP 44 11.484 -5.802 -8.749 280 1HB ASP 44 1HB ASP 44 13.918 -6.346 -8.097 281 2HB ASP 44 2HB ASP 44 12.999 -5.380 -6.961 282 H PHE 45 H PHE 45 10.246 -7.656 -10.005 283 HA PHE 45 HA PHE 45 12.226 -9.688 -10.750 284 1HB PHE 45 1HB PHE 45 9.385 -9.820 -9.822 285 2HB PHE 45 2HB PHE 45 9.656 -10.714 -11.305 286 HD1 PHE 45 HD1 PHE 45 9.449 -12.928 -10.562 287 HD2 PHE 45 HD2 PHE 45 12.049 -10.284 -8.500 288 HE1 PHE 45 HE1 PHE 45 10.356 -14.855 -9.234 289 HE2 PHE 45 HE2 PHE 45 12.956 -12.211 -7.172 290 HZ PHE 45 HZ PHE 45 12.099 -14.474 -7.555 291 H ASN 46 H ASN 46 11.932 -10.534 -12.997 292 HA ASN 46 HA ASN 46 10.656 -8.501 -14.654 293 1HB ASN 46 1HB ASN 46 13.406 -9.458 -14.622 294 2HB ASN 46 2HB ASN 46 12.681 -9.898 -16.155 295 1HD2 ASN 46 2HD2 ASN 46 14.698 -8.169 -16.200 296 2HD2 ASN 46 1HD2 ASN 46 14.182 -6.555 -16.559 297 HA PRO 47 HA PRO 47 8.601 -11.985 -16.360 298 1HB PRO 47 1HB PRO 47 7.626 -10.913 -18.677 299 2HB PRO 47 2HB PRO 47 6.858 -10.686 -17.118 300 1HG PRO 47 1HG PRO 47 8.472 -8.769 -18.686 301 2HG PRO 47 2HG PRO 47 7.362 -8.449 -17.368 302 1HD PRO 47 1HD PRO 47 10.227 -8.464 -17.234 303 2HD PRO 47 2HD PRO 47 9.116 -8.259 -15.895 304 H SER 48 H SER 48 10.883 -10.290 -18.380 305 HA SER 48 HA SER 48 11.068 -12.330 -20.270 306 1HB SER 48 1HB SER 48 11.844 -10.093 -20.795 307 2HB SER 48 2HB SER 48 12.971 -10.098 -19.453 308 HG SER 48 HG SER 48 13.101 -11.825 -21.778 309 H GLU 49 H GLU 49 11.903 -12.289 -16.988 310 HA GLU 49 HA GLU 49 13.889 -14.373 -17.461 311 1HB GLU 49 1HB GLU 49 13.827 -12.235 -15.296 312 2HB GLU 49 2HB GLU 49 14.822 -13.671 -15.163 313 1HG GLU 49 1HG GLU 49 15.182 -12.487 -17.800 314 2HG GLU 49 2HG GLU 49 15.421 -11.258 -16.574 315 H TYR 50 H TYR 50 10.757 -13.811 -16.631 316 HA TYR 50 HA TYR 50 10.667 -16.224 -15.010 317 1HB TYR 50 1HB TYR 50 9.592 -13.420 -14.342 318 2HB TYR 50 2HB TYR 50 8.966 -14.849 -13.545 319 HD1 TYR 50 HD1 TYR 50 10.759 -12.227 -12.710 320 HD2 TYR 50 HD2 TYR 50 11.403 -16.442 -13.061 321 HE1 TYR 50 HE1 TYR 50 12.625 -12.092 -10.989 322 HE2 TYR 50 HE2 TYR 50 13.268 -16.293 -11.338 323 HH TYR 50 HH TYR 50 13.953 -14.884 -9.549 324 H ASP 51 H ASP 51 8.827 -17.459 -15.386 325 HA ASP 51 HA ASP 51 6.818 -16.185 -17.064 326 1HB ASP 51 1HB ASP 51 8.411 -18.682 -17.516 327 2HB ASP 51 2HB ASP 51 6.704 -18.796 -17.894 328 H LEU 52 H LEU 52 4.630 -17.058 -16.719 329 HA LEU 52 HA LEU 52 4.439 -18.827 -14.381 330 1HB LEU 52 1HB LEU 52 2.413 -16.705 -15.015 331 2HB LEU 52 2HB LEU 52 2.661 -17.584 -13.519 332 HG LEU 52 HG LEU 52 4.550 -15.502 -14.655 333 1HD1 LEU 52 1HD1 LEU 52 2.217 -15.330 -12.824 334 2HD1 LEU 52 2HD1 LEU 52 3.667 -14.401 -12.373 335 3HD1 LEU 52 3HD1 LEU 52 2.892 -14.130 -13.953 336 1HD2 LEU 52 1HD2 LEU 52 5.972 -15.840 -12.910 337 2HD2 LEU 52 2HD2 LEU 52 4.688 -16.418 -11.821 338 3HD2 LEU 52 3HD2 LEU 52 5.340 -17.495 -13.079 339 H LYS 53 H LYS 53 3.123 -20.602 -14.584 340 HA LYS 53 HA LYS 53 1.219 -20.662 -16.764 341 1HB LYS 53 1HB LYS 53 3.265 -21.402 -17.864 342 2HB LYS 53 2HB LYS 53 3.553 -22.593 -16.612 343 1HG LYS 53 1HG LYS 53 0.895 -22.653 -18.042 344 2HG LYS 53 2HG LYS 53 2.306 -23.238 -18.902 345 1HD LYS 53 1HD LYS 53 1.716 -24.201 -16.081 346 2HD LYS 53 2HD LYS 53 0.907 -24.930 -17.454 347 1HE LYS 53 1HE LYS 53 3.943 -24.664 -17.294 348 2HE LYS 53 2HE LYS 53 3.088 -26.067 -16.686 349 1HZ LYS 53 1HZ LYS 53 3.764 -26.442 -18.917 350 2HZ LYS 53 2HZ LYS 53 2.136 -26.326 -18.908 351 3HZ LYS 53 3HZ LYS 53 3.040 -25.080 -19.453 352 H PHE 54 H PHE 54 -0.546 -21.972 -16.304 353 HA PHE 54 HA PHE 54 -0.335 -23.480 -13.794 354 1HB PHE 54 1HB PHE 54 -1.726 -21.628 -13.238 355 2HB PHE 54 2HB PHE 54 -2.284 -21.433 -14.888 356 HD1 PHE 54 HD1 PHE 54 -4.459 -22.027 -15.370 357 HD2 PHE 54 HD2 PHE 54 -2.523 -23.897 -12.089 358 HE1 PHE 54 HE1 PHE 54 -6.591 -23.216 -14.790 359 HE2 PHE 54 HE2 PHE 54 -4.656 -25.086 -11.509 360 HZ PHE 54 HZ PHE 54 -6.665 -24.732 -12.866 361 H GLN 55 H GLN 55 -0.520 -25.625 -14.226 362 HA GLN 55 HA GLN 55 -1.171 -27.502 -15.099 363 1HB GLN 55 1HB GLN 55 -3.682 -25.860 -15.515 364 2HB GLN 55 2HB GLN 55 -3.612 -27.509 -16.103 365 1HG GLN 55 1HG GLN 55 -2.637 -27.908 -13.587 366 2HG GLN 55 2HG GLN 55 -3.626 -26.495 -13.278 367 1HE2 GLN 55 2HE2 GLN 55 -3.544 -29.843 -14.079 368 2HE2 GLN 55 1HE2 GLN 55 -5.243 -30.177 -14.020 369 H ARG 56 H ARG 56 -3.322 -26.307 -17.569 370 HA ARG 56 HA ARG 56 -1.196 -26.771 -19.500 371 1HB ARG 56 1HB ARG 56 -4.192 -27.274 -19.560 372 2HB ARG 56 2HB ARG 56 -3.318 -27.091 -21.067 373 1HG ARG 56 1HG ARG 56 -2.261 -28.996 -18.961 374 2HG ARG 56 2HG ARG 56 -3.602 -29.494 -19.974 375 1HD ARG 56 1HD ARG 56 -1.940 -30.179 -21.408 376 2HD ARG 56 2HD ARG 56 -1.930 -28.497 -21.900 377 HE ARG 56 HE ARG 56 0.120 -28.186 -20.782 378 1HH1 ARG 56 2HH2 ARG 56 -1.285 -31.278 -19.864 379 2HH1 ARG 56 1HH2 ARG 56 0.140 -31.828 -19.047 380 1HH2 ARG 56 2HH1 ARG 56 2.000 -28.910 -19.705 381 2HH2 ARG 56 1HH1 ARG 56 2.021 -30.472 -18.956 382 H THR 57 H THR 57 -2.253 -24.231 -17.966 383 HA THR 57 HA THR 57 -2.649 -22.596 -20.386 384 HB THR 57 HB THR 57 -3.961 -22.515 -17.635 385 HG1 THR 57 HG1 THR 57 -4.815 -23.686 -19.593 386 1HG2 THR 57 1HG2 THR 57 -5.094 -20.419 -18.944 387 2HG2 THR 57 2HG2 THR 57 -3.724 -20.200 -17.828 388 3HG2 THR 57 3HG2 THR 57 -3.439 -20.278 -19.584 389 H VAL 58 H VAL 58 -1.026 -21.254 -20.826 390 HA VAL 58 HA VAL 58 1.014 -20.882 -18.829 391 HB VAL 58 HB VAL 58 2.165 -19.692 -20.657 392 1HG1 VAL 58 1HG1 VAL 58 2.349 -21.679 -22.201 393 2HG1 VAL 58 2HG1 VAL 58 2.562 -22.046 -20.472 394 3HG1 VAL 58 3HG1 VAL 58 1.024 -22.432 -21.281 395 1HG2 VAL 58 1HG2 VAL 58 1.252 -19.384 -22.803 396 2HG2 VAL 58 2HG2 VAL 58 -0.117 -20.475 -22.478 397 3HG2 VAL 58 3HG2 VAL 58 -0.045 -18.879 -21.693 398 H LEU 59 H LEU 59 1.543 -18.956 -17.768 399 HA LEU 59 HA LEU 59 -0.414 -16.796 -18.142 400 1HB LEU 59 1HB LEU 59 0.692 -18.057 -15.661 401 2HB LEU 59 2HB LEU 59 0.227 -16.367 -15.641 402 HG LEU 59 HG LEU 59 -1.905 -17.869 -16.833 403 1HD1 LEU 59 1HD1 LEU 59 -0.695 -19.717 -15.478 404 2HD1 LEU 59 2HD1 LEU 59 -1.357 -18.878 -14.054 405 3HD1 LEU 59 3HD1 LEU 59 -2.455 -19.520 -15.299 406 1HD2 LEU 59 1HD2 LEU 59 -2.200 -16.836 -14.074 407 2HD2 LEU 59 2HD2 LEU 59 -1.654 -15.663 -15.296 408 3HD2 LEU 59 3HD2 LEU 59 -3.182 -16.545 -15.530 409 H ASP 60 H ASP 60 0.427 -14.876 -18.764 410 HA ASP 60 HA ASP 60 3.183 -14.363 -18.043 411 1HB ASP 60 1HB ASP 60 2.717 -15.288 -20.522 412 2HB ASP 60 2HB ASP 60 2.244 -13.627 -20.818 413 H LEU 61 H LEU 61 3.059 -11.979 -19.995 414 HA LEU 61 HA LEU 61 1.512 -10.256 -18.244 415 1HB LEU 61 1HB LEU 61 3.520 -9.692 -20.427 416 2HB LEU 61 2HB LEU 61 2.672 -8.452 -19.524 417 HG LEU 61 HG LEU 61 4.538 -10.520 -18.327 418 1HD1 LEU 61 1HD1 LEU 61 6.199 -9.218 -19.010 419 2HD1 LEU 61 2HD1 LEU 61 5.062 -8.009 -19.654 420 3HD1 LEU 61 3HD1 LEU 61 5.567 -7.936 -17.949 421 1HD2 LEU 61 1HD2 LEU 61 3.058 -8.192 -17.080 422 2HD2 LEU 61 2HD2 LEU 61 2.896 -9.923 -16.696 423 3HD2 LEU 61 3HD2 LEU 61 4.401 -9.060 -16.298 424 H SER 62 H SER 62 1.679 -11.374 -21.655 425 HA SER 62 HA SER 62 -0.544 -9.702 -22.332 426 1HB SER 62 1HB SER 62 -0.242 -10.546 -24.590 427 2HB SER 62 2HB SER 62 1.335 -10.160 -23.931 428 HG SER 62 HG SER 62 1.881 -12.281 -23.828 429 H LEU 63 H LEU 63 -1.115 -11.521 -20.193 430 HA LEU 63 HA LEU 63 -3.207 -13.079 -21.483 431 1HB LEU 63 1HB LEU 63 -1.284 -14.267 -19.479 432 2HB LEU 63 2HB LEU 63 -2.698 -15.054 -20.151 433 HG LEU 63 HG LEU 63 -0.365 -14.119 -21.838 434 1HD1 LEU 63 1HD1 LEU 63 0.840 -15.768 -20.959 435 2HD1 LEU 63 2HD1 LEU 63 -0.553 -16.403 -20.051 436 3HD1 LEU 63 3HD1 LEU 63 -0.289 -16.901 -21.739 437 1HD2 LEU 63 1HD2 LEU 63 -1.608 -16.241 -23.101 438 2HD2 LEU 63 2HD2 LEU 63 -2.965 -15.323 -22.406 439 3HD2 LEU 63 3HD2 LEU 63 -1.808 -14.516 -23.491 440 H GLN 64 H GLN 64 -4.990 -12.109 -20.664 441 HA GLN 64 HA GLN 64 -4.847 -11.165 -17.937 442 1HB GLN 64 1HB GLN 64 -6.939 -10.773 -20.121 443 2HB GLN 64 2HB GLN 64 -7.071 -10.096 -18.510 444 1HG GLN 64 1HG GLN 64 -6.130 -8.391 -19.975 445 2HG GLN 64 2HG GLN 64 -4.879 -8.902 -18.859 446 1HE2 GLN 64 2HE2 GLN 64 -2.999 -8.967 -19.805 447 2HE2 GLN 64 1HE2 GLN 64 -2.633 -9.573 -21.385 448 H TRP 65 H TRP 65 -6.690 -11.628 -16.422 449 HA TRP 65 HA TRP 65 -7.158 -14.386 -16.266 450 1HB TRP 65 1HB TRP 65 -7.041 -12.996 -14.303 451 2HB TRP 65 2HB TRP 65 -8.414 -12.043 -14.831 452 HD1 TRP 65 HD1 TRP 65 -10.543 -14.269 -15.506 453 HE1 TRP 65 HE1 TRP 65 -11.618 -15.855 -13.692 454 HE3 TRP 65 HE3 TRP 65 -6.819 -13.747 -12.084 455 HZ2 TRP 65 HZ2 TRP 65 -10.808 -16.694 -11.087 456 HZ3 TRP 65 HZ3 TRP 65 -7.039 -14.984 -9.931 457 HH2 TRP 65 HH2 TRP 65 -8.948 -16.418 -9.407 458 H ARG 66 H ARG 66 -9.117 -11.567 -17.391 459 HA ARG 66 HA ARG 66 -11.484 -12.876 -17.720 460 1HB ARG 66 1HB ARG 66 -12.026 -11.073 -19.363 461 2HB ARG 66 2HB ARG 66 -11.233 -10.424 -17.941 462 1HG ARG 66 1HG ARG 66 -9.029 -10.506 -19.187 463 2HG ARG 66 2HG ARG 66 -9.892 -11.039 -20.617 464 1HD ARG 66 1HD ARG 66 -10.539 -8.439 -19.147 465 2HD ARG 66 2HD ARG 66 -9.431 -8.525 -20.501 466 HE ARG 66 HE ARG 66 -11.703 -9.780 -21.471 467 1HH1 ARG 66 2HH2 ARG 66 -11.091 -6.655 -19.975 468 2HH1 ARG 66 1HH2 ARG 66 -12.385 -5.860 -20.808 469 1HH2 ARG 66 2HH1 ARG 66 -13.409 -8.732 -22.571 470 2HH2 ARG 66 1HH1 ARG 66 -13.712 -7.049 -22.295 471 H PHE 67 H PHE 67 -8.484 -13.352 -19.362 472 HA PHE 67 HA PHE 67 -9.864 -14.631 -21.615 473 1HB PHE 67 1HB PHE 67 -7.137 -13.333 -21.134 474 2HB PHE 67 2HB PHE 67 -7.319 -14.476 -22.450 475 HD1 PHE 67 HD1 PHE 67 -6.904 -11.246 -22.108 476 HD2 PHE 67 HD2 PHE 67 -9.965 -13.826 -23.516 477 HE1 PHE 67 HE1 PHE 67 -7.774 -9.410 -23.582 478 HE2 PHE 67 HE2 PHE 67 -10.835 -11.990 -24.989 479 HZ PHE 67 HZ PHE 67 -9.729 -9.804 -25.004 480 H ALA 68 H ALA 68 -6.811 -14.961 -19.653 481 HA ALA 68 HA ALA 68 -6.448 -17.655 -20.269 482 1HB ALA 68 1HB ALA 68 -5.201 -15.597 -18.721 483 2HB ALA 68 2HB ALA 68 -5.375 -17.031 -17.680 484 3HB ALA 68 3HB ALA 68 -4.519 -17.158 -19.235 485 H ASN 69 H ASN 69 -8.764 -16.052 -18.244 486 HA ASN 69 HA ASN 69 -10.135 -16.725 -16.682 487 1HB ASN 69 1HB ASN 69 -11.332 -18.911 -17.208 488 2HB ASN 69 2HB ASN 69 -11.216 -17.824 -18.578 489 1HD2 ASN 69 2HD2 ASN 69 -10.519 -20.889 -17.327 490 2HD2 ASN 69 1HD2 ASN 69 -9.567 -21.530 -18.624 491 H LEU 70 H LEU 70 -8.901 -16.920 -14.736 492 HA LEU 70 HA LEU 70 -7.607 -19.507 -14.280 493 1HB LEU 70 1HB LEU 70 -7.265 -16.946 -12.723 494 2HB LEU 70 2HB LEU 70 -6.302 -18.405 -12.602 495 HG LEU 70 HG LEU 70 -6.439 -16.945 -15.224 496 1HD1 LEU 70 1HD1 LEU 70 -5.291 -15.156 -14.566 497 2HD1 LEU 70 2HD1 LEU 70 -5.702 -15.618 -12.897 498 3HD1 LEU 70 3HD1 LEU 70 -4.156 -16.139 -13.610 499 1HD2 LEU 70 1HD2 LEU 70 -5.187 -19.255 -14.409 500 2HD2 LEU 70 2HD2 LEU 70 -4.750 -18.276 -15.830 501 3HD2 LEU 70 3HD2 LEU 70 -3.889 -18.043 -14.289 502 HA PRO 71 HA PRO 71 -10.552 -20.523 -11.297 503 1HB PRO 71 1HB PRO 71 -9.130 -22.056 -9.538 504 2HB PRO 71 2HB PRO 71 -9.722 -22.659 -11.073 505 1HG PRO 71 1HG PRO 71 -6.964 -21.913 -10.314 506 2HG PRO 71 2HG PRO 71 -7.504 -22.897 -11.660 507 1HD PRO 71 1HD PRO 71 -6.620 -20.170 -11.773 508 2HD PRO 71 2HD PRO 71 -7.270 -21.118 -13.097 509 H ASN 72 H ASN 72 -11.156 -20.582 -8.887 510 HA ASN 72 HA ASN 72 -11.251 -18.149 -7.940 511 1HB ASN 72 1HB ASN 72 -10.898 -19.411 -5.546 512 2HB ASN 72 2HB ASN 72 -12.357 -19.591 -6.499 513 1HD2 ASN 72 2HD2 ASN 72 -10.265 -21.254 -4.750 514 2HD2 ASN 72 1HD2 ASN 72 -10.248 -22.796 -5.540 515 H ASN 73 H ASN 73 -9.028 -20.271 -6.058 516 HA ASN 73 HA ASN 73 -7.381 -18.170 -5.351 517 1HB ASN 73 1HB ASN 73 -7.669 -20.900 -4.682 518 2HB ASN 73 2HB ASN 73 -6.046 -20.809 -5.337 519 1HD2 ASN 73 2HD2 ASN 73 -4.594 -19.177 -4.487 520 2HD2 ASN 73 1HD2 ASN 73 -4.697 -18.701 -2.825 521 H ALA 74 H ALA 74 -7.791 -19.562 -8.365 522 HA ALA 74 HA ALA 74 -6.330 -20.179 -10.038 523 1HB ALA 74 1HB ALA 74 -7.065 -18.130 -10.823 524 2HB ALA 74 2HB ALA 74 -6.366 -17.232 -9.455 525 3HB ALA 74 3HB ALA 74 -5.313 -17.826 -10.761 526 H LYS 75 H LYS 75 -4.755 -21.619 -9.214 527 HA LYS 75 HA LYS 75 -2.390 -20.409 -8.024 528 1HB LYS 75 1HB LYS 75 -1.774 -22.687 -7.433 529 2HB LYS 75 2HB LYS 75 -3.400 -22.326 -6.888 530 1HG LYS 75 1HG LYS 75 -3.718 -23.345 -9.521 531 2HG LYS 75 2HG LYS 75 -2.501 -24.368 -8.783 532 1HD LYS 75 1HD LYS 75 -3.960 -25.200 -7.173 533 2HD LYS 75 2HD LYS 75 -4.896 -23.720 -7.092 534 1HE LYS 75 1HE LYS 75 -6.115 -24.238 -9.091 535 2HE LYS 75 2HE LYS 75 -4.954 -25.453 -9.591 536 1HZ LYS 75 1HZ LYS 75 -6.156 -26.927 -8.516 537 2HZ LYS 75 2HZ LYS 75 -5.893 -26.171 -7.092 538 3HZ LYS 75 3HZ LYS 75 -7.199 -25.785 -7.993 539 H LEU 76 H LEU 76 -0.656 -19.880 -9.234 540 HA LEU 76 HA LEU 76 -0.399 -21.255 -11.818 541 1HB LEU 76 1HB LEU 76 0.792 -18.566 -11.410 542 2HB LEU 76 2HB LEU 76 0.161 -19.315 -12.863 543 HG LEU 76 HG LEU 76 -1.400 -17.678 -12.508 544 1HD1 LEU 76 1HD1 LEU 76 -2.244 -20.274 -11.987 545 2HD1 LEU 76 2HD1 LEU 76 -3.010 -19.301 -10.708 546 3HD1 LEU 76 3HD1 LEU 76 -3.268 -18.884 -12.419 547 1HD2 LEU 76 1HD2 LEU 76 -2.081 -17.813 -9.714 548 2HD2 LEU 76 2HD2 LEU 76 -0.324 -17.598 -9.905 549 3HD2 LEU 76 3HD2 LEU 76 -1.449 -16.447 -10.664 550 H GLU 77 H GLU 77 1.802 -21.683 -12.550 551 HA GLU 77 HA GLU 77 3.531 -22.067 -10.247 552 1HB GLU 77 1HB GLU 77 3.860 -23.333 -12.993 553 2HB GLU 77 2HB GLU 77 4.577 -23.853 -11.481 554 1HG GLU 77 1HG GLU 77 1.805 -23.831 -10.949 555 2HG GLU 77 2HG GLU 77 1.917 -24.454 -12.583 556 H MET 78 H MET 78 5.540 -21.079 -10.101 557 HA MET 78 HA MET 78 6.054 -19.089 -12.114 558 1HB MET 78 1HB MET 78 6.307 -19.178 -9.343 559 2HB MET 78 2HB MET 78 7.962 -19.473 -9.835 560 1HG MET 78 1HG MET 78 7.424 -17.395 -11.496 561 2HG MET 78 2HG MET 78 6.270 -17.015 -10.233 562 1HE MET 78 1HE MET 78 9.565 -17.308 -11.530 563 2HE MET 78 2HE MET 78 9.772 -15.620 -11.005 564 3HE MET 78 3HE MET 78 10.748 -16.910 -10.262 565 H VAL 79 H VAL 79 7.796 -19.074 -13.543 566 HA VAL 79 HA VAL 79 9.868 -21.076 -13.191 567 HB VAL 79 HB VAL 79 9.507 -22.230 -15.138 568 1HG1 VAL 79 1HG1 VAL 79 7.720 -22.754 -13.546 569 2HG1 VAL 79 2HG1 VAL 79 6.700 -21.477 -14.252 570 3HG1 VAL 79 3HG1 VAL 79 7.140 -22.903 -15.223 571 1HG2 VAL 79 1HG2 VAL 79 9.400 -20.378 -16.684 572 2HG2 VAL 79 2HG2 VAL 79 8.016 -21.455 -16.987 573 3HG2 VAL 79 3HG2 VAL 79 7.779 -19.928 -16.103 574 HA PRO 80 HA PRO 80 12.076 -17.653 -14.677 575 1HB PRO 80 1HB PRO 80 14.554 -18.789 -14.862 576 2HB PRO 80 2HB PRO 80 13.892 -18.173 -13.361 577 1HG PRO 80 1HG PRO 80 14.200 -20.980 -14.237 578 2HG PRO 80 2HG PRO 80 13.950 -20.356 -12.618 579 1HD PRO 80 1HD PRO 80 11.991 -21.610 -14.297 580 2HD PRO 80 2HD PRO 80 11.715 -20.883 -12.726 581 H VAL 81 H VAL 81 12.316 -16.623 -16.575 582 HA VAL 81 HA VAL 81 13.569 -17.478 -18.754 583 HB VAL 81 HB VAL 81 12.109 -19.530 -18.538 584 1HG1 VAL 81 1HG1 VAL 81 10.043 -17.745 -18.277 585 2HG1 VAL 81 2HG1 VAL 81 9.894 -18.229 -19.983 586 3HG1 VAL 81 3HG1 VAL 81 9.864 -19.464 -18.702 587 1HG2 VAL 81 1HG2 VAL 81 11.395 -18.764 -21.214 588 2HG2 VAL 81 2HG2 VAL 81 12.995 -18.091 -20.820 589 3HG2 VAL 81 3HG2 VAL 81 12.702 -19.839 -20.664 590 H SER 82 H SER 82 11.474 -16.908 -20.797 591 HA SER 82 HA SER 82 10.765 -14.213 -19.956 592 1HB SER 82 1HB SER 82 11.619 -13.233 -21.921 593 2HB SER 82 2HB SER 82 12.855 -14.400 -21.494 594 HG SER 82 HG SER 82 11.887 -15.896 -23.036 595 H ARG 83 H ARG 83 9.198 -13.252 -21.841 596 HA ARG 83 HA ARG 83 6.862 -14.440 -21.674 597 1HB ARG 83 1HB ARG 83 7.922 -13.063 -24.194 598 2HB ARG 83 2HB ARG 83 6.225 -13.284 -23.817 599 1HG ARG 83 1HG ARG 83 6.243 -11.389 -22.576 600 2HG ARG 83 2HG ARG 83 7.438 -12.091 -21.504 601 1HD ARG 83 1HD ARG 83 9.187 -11.417 -23.342 602 2HD ARG 83 2HD ARG 83 7.914 -10.400 -23.987 603 HE ARG 83 HE ARG 83 8.346 -10.058 -21.103 604 1HH1 ARG 83 2HH2 ARG 83 9.293 -8.997 -24.321 605 2HH1 ARG 83 1HH2 ARG 83 9.889 -7.464 -23.779 606 1HH2 ARG 83 2HH1 ARG 83 9.132 -8.036 -20.387 607 2HH2 ARG 83 1HH1 ARG 83 9.797 -6.913 -21.526 608 H SER 84 H SER 84 5.810 -16.265 -22.466 609 HA SER 84 HA SER 84 5.459 -18.127 -23.523 610 1HB SER 84 1HB SER 84 6.058 -16.331 -25.549 611 2HB SER 84 2HB SER 84 7.173 -17.638 -25.895 612 HG SER 84 HG SER 84 5.205 -19.089 -25.652 613 H ARG 85 H ARG 85 6.507 -20.235 -24.250 614 HA ARG 85 HA ARG 85 8.657 -20.794 -22.639 615 1HB ARG 85 1HB ARG 85 6.939 -22.200 -24.504 616 2HB ARG 85 2HB ARG 85 8.592 -22.694 -24.811 617 1HG ARG 85 1HG ARG 85 8.883 -23.196 -22.366 618 2HG ARG 85 2HG ARG 85 7.217 -22.732 -22.081 619 1HD ARG 85 1HD ARG 85 6.910 -24.558 -24.140 620 2HD ARG 85 2HD ARG 85 8.304 -25.221 -23.311 621 HE ARG 85 HE ARG 85 6.612 -24.697 -21.217 622 1HH1 ARG 85 2HH2 ARG 85 6.133 -26.367 -24.277 623 2HH1 ARG 85 1HH2 ARG 85 4.911 -27.425 -23.655 624 1HH2 ARG 85 2HH1 ARG 85 5.000 -26.093 -20.395 625 2HH2 ARG 85 1HH1 ARG 85 4.263 -27.268 -21.432 Start of MODEL 4 1 H SER 10 H SER 10 -11.980 -12.566 -6.918 2 HA SER 10 HA SER 10 -11.236 -15.334 -7.193 3 1HB SER 10 1HB SER 10 -10.913 -12.831 -8.807 4 2HB SER 10 2HB SER 10 -9.654 -14.037 -8.989 5 HG SER 10 HG SER 10 -12.032 -14.021 -10.184 6 H ALA 11 H ALA 11 -8.910 -15.988 -7.165 7 HA ALA 11 HA ALA 11 -7.116 -14.138 -5.832 8 1HB ALA 11 1HB ALA 11 -6.583 -15.992 -4.140 9 2HB ALA 11 2HB ALA 11 -8.116 -15.118 -3.903 10 3HB ALA 11 3HB ALA 11 -8.120 -16.740 -4.635 11 H VAL 12 H VAL 12 -4.937 -14.567 -6.307 12 HA VAL 12 HA VAL 12 -4.532 -16.862 -8.100 13 HB VAL 12 HB VAL 12 -4.123 -14.036 -8.484 14 1HG1 VAL 12 1HG1 VAL 12 -1.800 -14.395 -9.585 15 2HG1 VAL 12 2HG1 VAL 12 -1.884 -14.138 -7.826 16 3HG1 VAL 12 3HG1 VAL 12 -1.663 -15.780 -8.476 17 1HG2 VAL 12 1HG2 VAL 12 -5.190 -15.310 -10.171 18 2HG2 VAL 12 2HG2 VAL 12 -3.596 -14.881 -10.835 19 3HG2 VAL 12 3HG2 VAL 12 -3.883 -16.518 -10.200 20 H SER 13 H SER 13 -2.619 -18.077 -7.826 21 HA SER 13 HA SER 13 -1.041 -17.286 -5.509 22 1HB SER 13 1HB SER 13 -2.625 -19.107 -4.883 23 2HB SER 13 2HB SER 13 -1.989 -20.109 -6.172 24 HG SER 13 HG SER 13 -0.055 -19.070 -4.390 25 H VAL 14 H VAL 14 1.202 -17.532 -5.764 26 HA VAL 14 HA VAL 14 2.040 -18.765 -8.298 27 HB VAL 14 HB VAL 14 3.710 -16.654 -7.061 28 1HG1 VAL 14 1HG1 VAL 14 4.680 -16.977 -9.049 29 2HG1 VAL 14 2HG1 VAL 14 3.295 -17.921 -9.648 30 3HG1 VAL 14 3HG1 VAL 14 3.286 -16.146 -9.780 31 1HG2 VAL 14 1HG2 VAL 14 0.987 -16.100 -8.256 32 2HG2 VAL 14 2HG2 VAL 14 1.674 -15.509 -6.724 33 3HG2 VAL 14 3HG2 VAL 14 2.295 -14.894 -8.274 34 H LEU 15 H LEU 15 3.182 -20.596 -7.974 35 HA LEU 15 HA LEU 15 4.530 -20.872 -5.387 36 1HB LEU 15 1HB LEU 15 4.213 -23.148 -5.517 37 2HB LEU 15 2HB LEU 15 2.717 -22.489 -6.150 38 HG LEU 15 HG LEU 15 4.069 -22.801 -8.469 39 1HD1 LEU 15 1HD1 LEU 15 4.916 -25.306 -7.078 40 2HD1 LEU 15 2HD1 LEU 15 5.578 -24.516 -8.528 41 3HD1 LEU 15 3HD1 LEU 15 5.933 -23.854 -6.914 42 1HD2 LEU 15 1HD2 LEU 15 2.349 -24.141 -8.910 43 2HD2 LEU 15 2HD2 LEU 15 2.876 -25.340 -7.704 44 3HD2 LEU 15 3HD2 LEU 15 1.876 -23.955 -7.204 45 H ALA 16 H ALA 16 6.628 -20.266 -5.453 46 HA ALA 16 HA ALA 16 8.053 -20.374 -7.954 47 1HB ALA 16 1HB ALA 16 9.615 -19.012 -6.887 48 2HB ALA 16 2HB ALA 16 8.121 -18.584 -6.019 49 3HB ALA 16 3HB ALA 16 9.286 -19.711 -5.284 50 HA PRO 17 HA PRO 17 9.672 -24.324 -7.125 51 1HB PRO 17 1HB PRO 17 11.370 -24.512 -9.258 52 2HB PRO 17 2HB PRO 17 9.659 -24.876 -9.360 53 1HG PRO 17 1HG PRO 17 11.109 -22.495 -10.344 54 2HG PRO 17 2HG PRO 17 9.518 -23.075 -10.795 55 1HD PRO 17 1HD PRO 17 10.112 -20.875 -9.054 56 2HD PRO 17 2HD PRO 17 8.526 -21.529 -9.413 57 H ASN 18 H ASN 18 11.286 -21.436 -6.883 58 HA ASN 18 HA ASN 18 13.833 -22.569 -6.369 59 1HB ASN 18 1HB ASN 18 14.375 -20.223 -5.574 60 2HB ASN 18 2HB ASN 18 13.690 -20.262 -7.187 61 1HD2 ASN 18 2HD2 ASN 18 13.457 -17.939 -6.292 62 2HD2 ASN 18 1HD2 ASN 18 11.916 -17.534 -5.612 63 H GLY 19 H GLY 19 10.954 -22.791 -4.744 64 1HA GLY 19 1HA GLY 19 10.757 -23.781 -2.639 65 2HA GLY 19 2HA GLY 19 12.279 -23.068 -2.143 66 H ARG 20 H ARG 20 10.199 -20.919 -3.936 67 HA ARG 20 HA ARG 20 9.455 -19.688 -1.405 68 1HB ARG 20 1HB ARG 20 10.309 -18.550 -4.075 69 2HB ARG 20 2HB ARG 20 9.204 -17.607 -3.095 70 1HG ARG 20 1HG ARG 20 11.797 -18.744 -1.968 71 2HG ARG 20 2HG ARG 20 11.731 -17.176 -2.747 72 1HD ARG 20 1HD ARG 20 11.179 -16.349 -0.693 73 2HD ARG 20 2HD ARG 20 9.586 -17.021 -0.978 74 HE ARG 20 HE ARG 20 10.083 -18.830 0.473 75 1HH1 ARG 20 2HH2 ARG 20 12.939 -16.850 -0.078 76 2HH1 ARG 20 1HH2 ARG 20 13.847 -17.577 1.205 77 1HH2 ARG 20 2HH1 ARG 20 11.280 -19.789 2.166 78 2HH2 ARG 20 1HH1 ARG 20 12.897 -19.260 2.491 79 H ARG 21 H ARG 21 7.284 -19.909 -0.965 80 HA ARG 21 HA ARG 21 5.531 -20.126 -3.275 81 1HB ARG 21 1HB ARG 21 5.781 -21.736 -0.939 82 2HB ARG 21 2HB ARG 21 4.286 -20.849 -0.721 83 1HG ARG 21 1HG ARG 21 3.235 -22.182 -2.222 84 2HG ARG 21 2HG ARG 21 4.386 -21.737 -3.466 85 1HD ARG 21 1HD ARG 21 5.433 -23.752 -3.325 86 2HD ARG 21 2HD ARG 21 5.635 -23.595 -1.591 87 HE ARG 21 HE ARG 21 3.676 -25.217 -2.901 88 1HH1 ARG 21 2HH2 ARG 21 3.952 -23.006 -0.177 89 2HH1 ARG 21 1HH2 ARG 21 2.675 -23.754 0.723 90 1HH2 ARG 21 2HH1 ARG 21 1.991 -26.203 -1.714 91 2HH2 ARG 21 1HH1 ARG 21 1.552 -25.584 -0.157 92 H HIS 22 H HIS 22 4.338 -18.292 -3.685 93 HA HIS 22 HA HIS 22 3.324 -16.824 -1.388 94 1HB HIS 22 1HB HIS 22 3.981 -14.685 -2.311 95 2HB HIS 22 2HB HIS 22 5.392 -15.686 -2.031 96 HD1 HIS 22 HD1 HIS 22 5.757 -17.289 -4.519 97 HD2 HIS 22 HD2 HIS 22 4.398 -13.321 -4.626 98 HE1 HIS 22 HE1 HIS 22 6.271 -16.420 -6.862 99 H THR 23 H THR 23 1.249 -15.991 -1.700 100 HA THR 23 HA THR 23 0.106 -16.489 -4.371 101 HB THR 23 HB THR 23 -0.678 -18.152 -2.712 102 HG1 THR 23 HG1 THR 23 -2.842 -17.669 -3.233 103 1HG2 THR 23 1HG2 THR 23 -0.317 -16.519 -0.690 104 2HG2 THR 23 2HG2 THR 23 -1.894 -15.833 -1.151 105 3HG2 THR 23 3HG2 THR 23 -1.773 -17.543 -0.670 106 H VAL 24 H VAL 24 -0.945 -14.856 -5.368 107 HA VAL 24 HA VAL 24 -1.361 -12.441 -3.744 108 HB VAL 24 HB VAL 24 -0.350 -12.758 -6.571 109 1HG1 VAL 24 1HG1 VAL 24 -2.111 -10.946 -6.319 110 2HG1 VAL 24 2HG1 VAL 24 -0.986 -10.126 -5.210 111 3HG1 VAL 24 3HG1 VAL 24 -0.519 -10.408 -6.905 112 1HG2 VAL 24 1HG2 VAL 24 1.407 -11.114 -5.469 113 2HG2 VAL 24 2HG2 VAL 24 0.825 -11.863 -3.962 114 3HG2 VAL 24 3HG2 VAL 24 1.528 -12.876 -5.246 115 H LYS 25 H LYS 25 -3.418 -11.657 -3.715 116 HA LYS 25 HA LYS 25 -5.379 -13.109 -5.261 117 1HB LYS 25 1HB LYS 25 -7.000 -11.873 -3.877 118 2HB LYS 25 2HB LYS 25 -5.821 -12.741 -2.914 119 1HG LYS 25 1HG LYS 25 -4.840 -10.055 -3.528 120 2HG LYS 25 2HG LYS 25 -6.430 -9.965 -2.798 121 1HD LYS 25 1HD LYS 25 -4.766 -11.944 -1.416 122 2HD LYS 25 2HD LYS 25 -3.965 -10.386 -1.463 123 1HE LYS 25 1HE LYS 25 -5.593 -9.343 -0.163 124 2HE LYS 25 2HE LYS 25 -6.885 -10.366 -0.757 125 1HZ LYS 25 1HZ LYS 25 -5.095 -11.984 0.588 126 2HZ LYS 25 2HZ LYS 25 -5.366 -10.688 1.545 127 3HZ LYS 25 3HZ LYS 25 -6.620 -11.598 1.027 128 H VAL 26 H VAL 26 -5.951 -12.506 -7.272 129 HA VAL 26 HA VAL 26 -5.752 -9.639 -7.889 130 HB VAL 26 HB VAL 26 -5.074 -10.180 -10.090 131 1HG1 VAL 26 1HG1 VAL 26 -3.493 -10.635 -7.925 132 2HG1 VAL 26 2HG1 VAL 26 -3.364 -12.202 -8.761 133 3HG1 VAL 26 3HG1 VAL 26 -2.925 -10.701 -9.611 134 1HG2 VAL 26 1HG2 VAL 26 -4.689 -12.988 -10.126 135 2HG2 VAL 26 2HG2 VAL 26 -6.352 -12.704 -9.556 136 3HG2 VAL 26 3HG2 VAL 26 -5.814 -12.020 -11.109 137 H THR 27 H THR 27 -7.256 -9.068 -9.829 138 HA THR 27 HA THR 27 -9.868 -10.193 -9.172 139 HB THR 27 HB THR 27 -9.732 -7.954 -11.093 140 HG1 THR 27 HG1 THR 27 -8.739 -6.558 -9.415 141 1HG2 THR 27 1HG2 THR 27 -11.629 -7.462 -9.922 142 2HG2 THR 27 2HG2 THR 27 -11.289 -8.801 -8.800 143 3HG2 THR 27 3HG2 THR 27 -10.640 -7.177 -8.470 144 HA PRO 28 HA PRO 28 -10.220 -12.390 -12.838 145 1HB PRO 28 1HB PRO 28 -12.927 -12.432 -13.210 146 2HB PRO 28 2HB PRO 28 -12.098 -13.490 -12.086 147 1HG PRO 28 1HG PRO 28 -13.734 -11.095 -11.515 148 2HG PRO 28 2HG PRO 28 -13.261 -12.386 -10.428 149 1HD PRO 28 1HD PRO 28 -12.132 -9.753 -10.558 150 2HD PRO 28 2HD PRO 28 -11.584 -11.080 -9.553 151 H SER 29 H SER 29 -11.073 -9.151 -12.683 152 HA SER 29 HA SER 29 -11.317 -9.128 -15.587 153 1HB SER 29 1HB SER 29 -12.219 -6.719 -15.090 154 2HB SER 29 2HB SER 29 -13.266 -8.094 -14.796 155 HG SER 29 HG SER 29 -13.095 -7.841 -12.625 156 H THR 30 H THR 30 -9.106 -8.745 -13.113 157 HA THR 30 HA THR 30 -7.798 -6.385 -14.202 158 HB THR 30 HB THR 30 -7.526 -8.165 -11.757 159 HG1 THR 30 HG1 THR 30 -7.533 -5.283 -12.310 160 1HG2 THR 30 1HG2 THR 30 -5.587 -6.556 -11.151 161 2HG2 THR 30 2HG2 THR 30 -5.187 -7.858 -12.297 162 3HG2 THR 30 3HG2 THR 30 -5.476 -6.205 -12.892 163 H VAL 31 H VAL 31 -5.878 -6.338 -15.321 164 HA VAL 31 HA VAL 31 -5.266 -8.758 -16.721 165 HB VAL 31 HB VAL 31 -3.542 -7.267 -17.792 166 1HG1 VAL 31 1HG1 VAL 31 -5.218 -7.099 -19.258 167 2HG1 VAL 31 2HG1 VAL 31 -6.434 -7.185 -17.961 168 3HG1 VAL 31 3HG1 VAL 31 -5.731 -5.615 -18.419 169 1HG2 VAL 31 1HG2 VAL 31 -4.924 -5.002 -16.339 170 2HG2 VAL 31 2HG2 VAL 31 -3.419 -5.738 -15.739 171 3HG2 VAL 31 3HG2 VAL 31 -3.451 -4.953 -17.336 172 H LEU 32 H LEU 32 -3.724 -10.247 -16.235 173 HA LEU 32 HA LEU 32 -2.440 -10.205 -13.780 174 1HB LEU 32 1HB LEU 32 -1.950 -11.770 -16.309 175 2HB LEU 32 2HB LEU 32 -1.051 -12.051 -14.832 176 HG LEU 32 HG LEU 32 -4.069 -12.216 -14.976 177 1HD1 LEU 32 1HD1 LEU 32 -2.826 -14.793 -14.749 178 2HD1 LEU 32 2HD1 LEU 32 -3.969 -14.193 -15.974 179 3HD1 LEU 32 3HD1 LEU 32 -2.219 -13.966 -16.203 180 1HD2 LEU 32 1HD2 LEU 32 -3.904 -12.333 -12.765 181 2HD2 LEU 32 2HD2 LEU 32 -3.065 -13.889 -12.971 182 3HD2 LEU 32 3HD2 LEU 32 -2.127 -12.382 -12.836 183 H LEU 33 H LEU 33 -1.697 -8.578 -16.772 184 HA LEU 33 HA LEU 33 1.084 -8.400 -16.486 185 1HB LEU 33 1HB LEU 33 0.968 -6.704 -18.142 186 2HB LEU 33 2HB LEU 33 -0.177 -7.966 -18.552 187 HG LEU 33 HG LEU 33 -1.865 -6.340 -17.264 188 1HD1 LEU 33 1HD1 LEU 33 -1.004 -4.368 -16.723 189 2HD1 LEU 33 2HD1 LEU 33 0.527 -4.748 -17.547 190 3HD1 LEU 33 3HD1 LEU 33 -0.819 -4.025 -18.459 191 1HD2 LEU 33 1HD2 LEU 33 -2.795 -6.011 -19.290 192 2HD2 LEU 33 2HD2 LEU 33 -1.288 -5.391 -20.007 193 3HD2 LEU 33 3HD2 LEU 33 -1.530 -7.145 -19.822 194 H GLN 34 H GLN 34 -1.640 -6.332 -15.320 195 HA GLN 34 HA GLN 34 0.061 -4.416 -14.200 196 1HB GLN 34 1HB GLN 34 -1.939 -3.491 -13.214 197 2HB GLN 34 2HB GLN 34 -2.373 -4.092 -14.803 198 1HG GLN 34 1HG GLN 34 -3.953 -5.417 -13.868 199 2HG GLN 34 2HG GLN 34 -2.706 -6.289 -12.999 200 1HE2 GLN 34 2HE2 GLN 34 -2.056 -5.576 -10.921 201 2HE2 GLN 34 1HE2 GLN 34 -3.119 -4.667 -9.899 202 H VAL 35 H VAL 35 -1.428 -7.449 -13.002 203 HA VAL 35 HA VAL 35 -0.706 -6.992 -10.291 204 HB VAL 35 HB VAL 35 -1.749 -8.967 -9.877 205 1HG1 VAL 35 1HG1 VAL 35 -3.130 -7.411 -11.437 206 2HG1 VAL 35 2HG1 VAL 35 -2.882 -8.683 -12.657 207 3HG1 VAL 35 3HG1 VAL 35 -3.715 -9.064 -11.130 208 1HG2 VAL 35 1HG2 VAL 35 -1.713 -10.953 -11.264 209 2HG2 VAL 35 2HG2 VAL 35 -0.942 -10.056 -12.595 210 3HG2 VAL 35 3HG2 VAL 35 -0.053 -10.338 -11.079 211 H LEU 36 H LEU 36 0.667 -8.922 -13.031 212 HA LEU 36 HA LEU 36 2.802 -9.961 -11.548 213 1HB LEU 36 1HB LEU 36 2.088 -10.996 -13.571 214 2HB LEU 36 2HB LEU 36 2.352 -9.532 -14.497 215 HG LEU 36 HG LEU 36 4.746 -9.733 -14.279 216 1HD1 LEU 36 1HD1 LEU 36 4.851 -10.579 -11.987 217 2HD1 LEU 36 2HD1 LEU 36 4.237 -12.158 -12.534 218 3HD1 LEU 36 3HD1 LEU 36 5.824 -11.579 -13.093 219 1HD2 LEU 36 1HD2 LEU 36 4.712 -11.066 -16.047 220 2HD2 LEU 36 2HD2 LEU 36 4.532 -12.488 -14.991 221 3HD2 LEU 36 3HD2 LEU 36 3.089 -11.636 -15.592 222 H GLU 37 H GLU 37 2.318 -6.905 -13.354 223 HA GLU 37 HA GLU 37 5.001 -6.152 -13.296 224 1HB GLU 37 1HB GLU 37 2.400 -4.617 -13.613 225 2HB GLU 37 2HB GLU 37 3.946 -3.792 -13.622 226 1HG GLU 37 1HG GLU 37 3.691 -6.208 -15.393 227 2HG GLU 37 2HG GLU 37 2.798 -4.779 -15.875 228 H ASP 38 H ASP 38 2.217 -5.569 -11.077 229 HA ASP 38 HA ASP 38 3.497 -3.759 -9.440 230 1HB ASP 38 1HB ASP 38 1.147 -5.588 -9.271 231 2HB ASP 38 2HB ASP 38 1.819 -5.130 -7.718 232 H THR 39 H THR 39 3.008 -7.361 -9.129 233 HA THR 39 HA THR 39 4.513 -7.668 -6.789 234 HB THR 39 HB THR 39 4.156 -9.746 -8.994 235 HG1 THR 39 HG1 THR 39 2.327 -8.645 -6.976 236 1HG2 THR 39 1HG2 THR 39 3.880 -11.283 -7.145 237 2HG2 THR 39 2HG2 THR 39 5.312 -10.305 -6.743 238 3HG2 THR 39 3HG2 THR 39 3.747 -9.950 -5.973 239 H CYS 40 H CYS 40 5.455 -7.552 -10.235 240 HA CYS 40 HA CYS 40 8.060 -8.507 -9.795 241 1HB CYS 40 1HB CYS 40 6.681 -7.051 -12.036 242 2HB CYS 40 2HB CYS 40 8.427 -7.203 -12.057 243 HG CYS 40 HG CYS 40 6.617 -9.800 -11.226 244 H ARG 41 H ARG 41 6.441 -5.307 -9.686 245 HA ARG 41 HA ARG 41 8.795 -3.819 -9.590 246 1HB ARG 41 1HB ARG 41 7.320 -2.074 -9.639 247 2HB ARG 41 2HB ARG 41 6.052 -3.280 -9.728 248 1HG ARG 41 1HG ARG 41 5.793 -3.286 -7.290 249 2HG ARG 41 2HG ARG 41 7.199 -2.259 -7.089 250 1HD ARG 41 1HD ARG 41 5.627 -0.770 -8.854 251 2HD ARG 41 2HD ARG 41 4.423 -1.523 -7.828 252 HE ARG 41 HE ARG 41 6.678 -0.348 -6.352 253 1HH1 ARG 41 2HH2 ARG 41 3.480 0.217 -7.708 254 2HH1 ARG 41 1HH2 ARG 41 3.136 1.560 -6.668 255 1HH2 ARG 41 2HH1 ARG 41 6.225 1.422 -4.980 256 2HH2 ARG 41 1HH1 ARG 41 4.709 2.249 -5.106 257 H ARG 42 H ARG 42 6.519 -5.048 -7.043 258 HA ARG 42 HA ARG 42 8.073 -3.961 -4.960 259 1HB ARG 42 1HB ARG 42 6.562 -5.587 -3.559 260 2HB ARG 42 2HB ARG 42 5.787 -4.265 -4.409 261 1HG ARG 42 1HG ARG 42 5.916 -6.379 -6.302 262 2HG ARG 42 2HG ARG 42 5.463 -7.148 -4.794 263 1HD ARG 42 1HD ARG 42 4.058 -4.716 -6.005 264 2HD ARG 42 2HD ARG 42 3.470 -6.364 -6.101 265 HE ARG 42 HE ARG 42 4.001 -5.380 -3.367 266 1HH1 ARG 42 2HH2 ARG 42 1.619 -5.867 -5.911 267 2HH1 ARG 42 1HH2 ARG 42 0.265 -5.790 -4.834 268 1HH2 ARG 42 2HH1 ARG 42 2.215 -5.279 -1.946 269 2HH2 ARG 42 1HH1 ARG 42 0.606 -5.454 -2.563 270 H GLN 43 H GLN 43 7.789 -7.130 -6.620 271 HA GLN 43 HA GLN 43 9.634 -8.307 -4.746 272 1HB GLN 43 1HB GLN 43 8.937 -10.366 -5.555 273 2HB GLN 43 2HB GLN 43 7.511 -9.409 -5.906 274 1HG GLN 43 1HG GLN 43 8.835 -8.936 -8.208 275 2HG GLN 43 2HG GLN 43 9.612 -10.453 -7.799 276 1HE2 GLN 43 2HE2 GLN 43 7.840 -12.036 -6.749 277 2HE2 GLN 43 1HE2 GLN 43 6.469 -12.327 -7.768 278 H ASP 44 H ASP 44 9.980 -6.190 -7.214 279 HA ASP 44 HA ASP 44 11.455 -5.764 -8.767 280 1HB ASP 44 1HB ASP 44 13.879 -6.243 -8.058 281 2HB ASP 44 2HB ASP 44 12.915 -5.306 -6.934 282 H PHE 45 H PHE 45 10.268 -7.660 -10.017 283 HA PHE 45 HA PHE 45 12.296 -9.669 -10.695 284 1HB PHE 45 1HB PHE 45 9.436 -9.828 -9.834 285 2HB PHE 45 2HB PHE 45 9.752 -10.733 -11.301 286 HD1 PHE 45 HD1 PHE 45 9.561 -12.943 -10.546 287 HD2 PHE 45 HD2 PHE 45 12.070 -10.244 -8.442 288 HE1 PHE 45 HE1 PHE 45 10.460 -14.846 -9.178 289 HE2 PHE 45 HE2 PHE 45 12.969 -12.147 -7.074 290 HZ PHE 45 HZ PHE 45 12.154 -14.425 -7.458 291 H ASN 46 H ASN 46 12.072 -10.543 -12.939 292 HA ASN 46 HA ASN 46 10.814 -8.544 -14.650 293 1HB ASN 46 1HB ASN 46 13.526 -9.024 -14.492 294 2HB ASN 46 2HB ASN 46 13.087 -10.167 -15.745 295 1HD2 ASN 46 2HD2 ASN 46 13.615 -9.332 -17.615 296 2HD2 ASN 46 1HD2 ASN 46 13.250 -7.740 -18.192 297 HA PRO 47 HA PRO 47 8.831 -12.070 -16.358 298 1HB PRO 47 1HB PRO 47 7.891 -11.032 -18.705 299 2HB PRO 47 2HB PRO 47 7.089 -10.799 -17.164 300 1HG PRO 47 1HG PRO 47 8.711 -8.878 -18.718 301 2HG PRO 47 2HG PRO 47 7.571 -8.559 -17.426 302 1HD PRO 47 1HD PRO 47 10.433 -8.538 -17.235 303 2HD PRO 47 2HD PRO 47 9.294 -8.334 -15.919 304 H SER 48 H SER 48 11.118 -10.362 -18.367 305 HA SER 48 HA SER 48 11.369 -12.412 -20.231 306 1HB SER 48 1HB SER 48 12.130 -10.118 -20.672 307 2HB SER 48 2HB SER 48 13.314 -10.221 -19.384 308 HG SER 48 HG SER 48 14.466 -11.823 -20.570 309 H GLU 49 H GLU 49 12.134 -12.351 -16.931 310 HA GLU 49 HA GLU 49 14.140 -14.426 -17.352 311 1HB GLU 49 1HB GLU 49 14.020 -12.310 -15.163 312 2HB GLU 49 2HB GLU 49 15.067 -13.713 -15.079 313 1HG GLU 49 1HG GLU 49 15.286 -12.323 -17.672 314 2HG GLU 49 2HG GLU 49 15.666 -11.267 -16.327 315 H TYR 50 H TYR 50 10.991 -13.840 -16.551 316 HA TYR 50 HA TYR 50 10.876 -16.260 -14.937 317 1HB TYR 50 1HB TYR 50 9.814 -13.448 -14.281 318 2HB TYR 50 2HB TYR 50 9.155 -14.871 -13.500 319 HD1 TYR 50 HD1 TYR 50 11.611 -16.484 -13.027 320 HD2 TYR 50 HD2 TYR 50 10.917 -12.287 -12.572 321 HE1 TYR 50 HE1 TYR 50 13.446 -16.364 -11.271 322 HE2 TYR 50 HE2 TYR 50 12.754 -12.181 -10.818 323 HH TYR 50 HH TYR 50 13.755 -14.314 -9.129 324 H ASP 51 H ASP 51 9.034 -17.488 -15.329 325 HA ASP 51 HA ASP 51 7.051 -16.210 -17.035 326 1HB ASP 51 1HB ASP 51 8.637 -18.718 -17.458 327 2HB ASP 51 2HB ASP 51 6.933 -18.824 -17.855 328 H LEU 52 H LEU 52 4.854 -17.067 -16.711 329 HA LEU 52 HA LEU 52 4.625 -18.827 -14.370 330 1HB LEU 52 1HB LEU 52 2.832 -16.506 -15.092 331 2HB LEU 52 2HB LEU 52 2.633 -17.585 -13.726 332 HG LEU 52 HG LEU 52 5.098 -16.725 -13.155 333 1HD1 LEU 52 1HD1 LEU 52 4.681 -14.078 -13.717 334 2HD1 LEU 52 2HD1 LEU 52 5.771 -15.165 -14.612 335 3HD1 LEU 52 3HD1 LEU 52 4.122 -14.867 -15.212 336 1HD2 LEU 52 1HD2 LEU 52 4.113 -15.149 -11.609 337 2HD2 LEU 52 2HD2 LEU 52 2.609 -15.101 -12.561 338 3HD2 LEU 52 3HD2 LEU 52 3.085 -16.598 -11.723 339 H LYS 53 H LYS 53 3.210 -20.550 -14.536 340 HA LYS 53 HA LYS 53 1.383 -20.617 -16.775 341 1HB LYS 53 1HB LYS 53 3.543 -21.433 -17.708 342 2HB LYS 53 2HB LYS 53 3.565 -22.706 -16.504 343 1HG LYS 53 1HG LYS 53 1.064 -22.418 -18.156 344 2HG LYS 53 2HG LYS 53 2.484 -23.059 -18.958 345 1HD LYS 53 1HD LYS 53 1.632 -24.181 -16.270 346 2HD LYS 53 2HD LYS 53 0.823 -24.710 -17.732 347 1HE LYS 53 1HE LYS 53 3.860 -24.754 -17.480 348 2HE LYS 53 2HE LYS 53 2.872 -26.096 -16.938 349 1HZ LYS 53 1HZ LYS 53 3.597 -26.374 -19.204 350 2HZ LYS 53 2HZ LYS 53 1.969 -26.261 -19.150 351 3HZ LYS 53 3HZ LYS 53 2.859 -24.991 -19.661 352 H PHE 54 H PHE 54 -0.382 -22.004 -16.407 353 HA PHE 54 HA PHE 54 -0.281 -23.493 -13.889 354 1HB PHE 54 1HB PHE 54 -1.586 -21.679 -13.157 355 2HB PHE 54 2HB PHE 54 -1.978 -21.189 -14.793 356 HD1 PHE 54 HD1 PHE 54 -2.773 -23.859 -12.315 357 HD2 PHE 54 HD2 PHE 54 -4.127 -21.528 -15.592 358 HE1 PHE 54 HE1 PHE 54 -5.073 -24.831 -12.056 359 HE2 PHE 54 HE2 PHE 54 -6.427 -22.500 -15.334 360 HZ PHE 54 HZ PHE 54 -6.872 -24.140 -13.569 361 H GLN 55 H GLN 55 -0.635 -25.600 -14.397 362 HA GLN 55 HA GLN 55 -1.432 -27.388 -15.335 363 1HB GLN 55 1HB GLN 55 -3.590 -26.658 -14.444 364 2HB GLN 55 2HB GLN 55 -3.867 -25.623 -15.830 365 1HG GLN 55 1HG GLN 55 -4.965 -27.389 -16.755 366 2HG GLN 55 2HG GLN 55 -3.383 -28.088 -17.035 367 1HE2 GLN 55 2HE2 GLN 55 -4.759 -30.050 -16.901 368 2HE2 GLN 55 1HE2 GLN 55 -4.973 -30.809 -15.359 369 H ARG 56 H ARG 56 -3.564 -25.969 -17.691 370 HA ARG 56 HA ARG 56 -1.521 -26.476 -19.699 371 1HB ARG 56 1HB ARG 56 -4.542 -26.799 -19.689 372 2HB ARG 56 2HB ARG 56 -3.703 -26.601 -21.214 373 1HG ARG 56 1HG ARG 56 -2.253 -28.544 -19.634 374 2HG ARG 56 2HG ARG 56 -3.949 -28.984 -19.620 375 1HD ARG 56 1HD ARG 56 -3.920 -29.602 -21.820 376 2HD ARG 56 2HD ARG 56 -3.073 -28.147 -22.306 377 HE ARG 56 HE ARG 56 -1.014 -29.279 -22.107 378 1HH1 ARG 56 2HH2 ARG 56 -3.595 -31.214 -20.702 379 2HH1 ARG 56 1HH2 ARG 56 -2.616 -32.634 -20.540 380 1HH2 ARG 56 2HH1 ARG 56 0.278 -31.152 -21.894 381 2HH2 ARG 56 1HH1 ARG 56 -0.398 -32.598 -21.223 382 H THR 57 H THR 57 -2.385 -23.942 -18.036 383 HA THR 57 HA THR 57 -2.747 -22.189 -20.377 384 HB THR 57 HB THR 57 -3.961 -22.130 -17.579 385 HG1 THR 57 HG1 THR 57 -4.956 -21.692 -20.302 386 1HG2 THR 57 1HG2 THR 57 -3.778 -19.895 -19.665 387 2HG2 THR 57 2HG2 THR 57 -4.979 -19.922 -18.352 388 3HG2 THR 57 3HG2 THR 57 -3.244 -19.815 -17.969 389 H VAL 58 H VAL 58 -1.167 -20.766 -20.769 390 HA VAL 58 HA VAL 58 1.023 -20.685 -18.895 391 HB VAL 58 HB VAL 58 2.223 -19.629 -20.635 392 1HG1 VAL 58 1HG1 VAL 58 1.989 -21.189 -22.484 393 2HG1 VAL 58 2HG1 VAL 58 1.747 -22.046 -20.943 394 3HG1 VAL 58 3HG1 VAL 58 0.345 -21.619 -21.954 395 1HG2 VAL 58 1HG2 VAL 58 1.270 -18.681 -22.628 396 2HG2 VAL 58 2HG2 VAL 58 -0.355 -19.263 -22.193 397 3HG2 VAL 58 3HG2 VAL 58 0.420 -17.984 -21.227 398 H LEU 59 H LEU 59 1.693 -18.895 -17.689 399 HA LEU 59 HA LEU 59 -0.242 -16.685 -17.662 400 1HB LEU 59 1HB LEU 59 1.216 -18.126 -15.480 401 2HB LEU 59 2HB LEU 59 0.768 -16.446 -15.259 402 HG LEU 59 HG LEU 59 -0.908 -17.839 -14.259 403 1HD1 LEU 59 1HD1 LEU 59 -1.484 -15.777 -15.828 404 2HD1 LEU 59 2HD1 LEU 59 -2.348 -17.035 -16.745 405 3HD1 LEU 59 3HD1 LEU 59 -2.751 -16.745 -15.036 406 1HD2 LEU 59 1HD2 LEU 59 -2.258 -19.437 -15.619 407 2HD2 LEU 59 2HD2 LEU 59 -1.091 -19.223 -16.946 408 3HD2 LEU 59 3HD2 LEU 59 -0.560 -19.920 -15.397 409 H ASP 60 H ASP 60 0.528 -14.835 -18.512 410 HA ASP 60 HA ASP 60 3.291 -14.199 -17.955 411 1HB ASP 60 1HB ASP 60 2.772 -15.280 -20.360 412 2HB ASP 60 2HB ASP 60 2.230 -13.655 -20.730 413 H LEU 61 H LEU 61 2.991 -11.943 -20.047 414 HA LEU 61 HA LEU 61 1.459 -10.173 -18.330 415 1HB LEU 61 1HB LEU 61 3.251 -9.589 -20.692 416 2HB LEU 61 2HB LEU 61 2.509 -8.395 -19.645 417 HG LEU 61 HG LEU 61 4.370 -10.499 -18.542 418 1HD1 LEU 61 1HD1 LEU 61 5.521 -9.331 -20.398 419 2HD1 LEU 61 2HD1 LEU 61 5.208 -7.780 -19.584 420 3HD1 LEU 61 3HD1 LEU 61 6.244 -8.999 -18.806 421 1HD2 LEU 61 1HD2 LEU 61 3.445 -9.522 -16.711 422 2HD2 LEU 61 2HD2 LEU 61 4.759 -8.357 -17.002 423 3HD2 LEU 61 3HD2 LEU 61 3.106 -7.991 -17.552 424 H SER 62 H SER 62 1.477 -11.559 -21.636 425 HA SER 62 HA SER 62 -0.841 -10.000 -22.305 426 1HB SER 62 1HB SER 62 -0.569 -10.846 -24.528 427 2HB SER 62 2HB SER 62 1.050 -10.531 -23.934 428 HG SER 62 HG SER 62 1.143 -12.860 -23.341 429 H LEU 63 H LEU 63 -1.254 -11.688 -20.052 430 HA LEU 63 HA LEU 63 -3.219 -13.528 -21.188 431 1HB LEU 63 1HB LEU 63 -1.159 -14.208 -19.089 432 2HB LEU 63 2HB LEU 63 -2.598 -15.164 -19.387 433 HG LEU 63 HG LEU 63 -0.783 -16.220 -20.504 434 1HD1 LEU 63 1HD1 LEU 63 -1.936 -16.694 -22.354 435 2HD1 LEU 63 2HD1 LEU 63 -3.096 -15.461 -21.802 436 3HD1 LEU 63 3HD1 LEU 63 -1.819 -15.025 -22.964 437 1HD2 LEU 63 1HD2 LEU 63 0.230 -13.617 -20.819 438 2HD2 LEU 63 2HD2 LEU 63 0.990 -15.152 -21.302 439 3HD2 LEU 63 3HD2 LEU 63 -0.012 -14.250 -22.464 440 H GLN 64 H GLN 64 -5.053 -12.430 -20.637 441 HA GLN 64 HA GLN 64 -5.136 -11.244 -18.004 442 1HB GLN 64 1HB GLN 64 -7.037 -11.083 -20.382 443 2HB GLN 64 2HB GLN 64 -7.334 -10.287 -18.849 444 1HG GLN 64 1HG GLN 64 -6.297 -8.623 -20.218 445 2HG GLN 64 2HG GLN 64 -5.039 -9.154 -19.119 446 1HE2 GLN 64 2HE2 GLN 64 -3.178 -9.205 -20.108 447 2HE2 GLN 64 1HE2 GLN 64 -2.841 -9.830 -21.688 448 H TRP 65 H TRP 65 -6.821 -11.744 -16.452 449 HA TRP 65 HA TRP 65 -7.408 -14.477 -16.283 450 1HB TRP 65 1HB TRP 65 -7.158 -13.129 -14.317 451 2HB TRP 65 2HB TRP 65 -8.473 -12.074 -14.797 452 HD1 TRP 65 HD1 TRP 65 -10.785 -14.121 -15.413 453 HE1 TRP 65 HE1 TRP 65 -11.915 -15.644 -13.578 454 HE3 TRP 65 HE3 TRP 65 -6.915 -13.931 -12.120 455 HZ2 TRP 65 HZ2 TRP 65 -11.082 -16.577 -11.013 456 HZ3 TRP 65 HZ3 TRP 65 -7.154 -15.176 -9.974 457 HH2 TRP 65 HH2 TRP 65 -9.148 -16.466 -9.398 458 H ARG 66 H ARG 66 -9.278 -11.569 -17.330 459 HA ARG 66 HA ARG 66 -11.710 -12.788 -17.577 460 1HB ARG 66 1HB ARG 66 -12.291 -10.922 -19.077 461 2HB ARG 66 2HB ARG 66 -11.284 -10.323 -17.774 462 1HG ARG 66 1HG ARG 66 -9.274 -10.468 -19.260 463 2HG ARG 66 2HG ARG 66 -10.280 -11.068 -20.563 464 1HD ARG 66 1HD ARG 66 -11.213 -8.991 -20.994 465 2HD ARG 66 2HD ARG 66 -11.215 -8.519 -19.307 466 HE ARG 66 HE ARG 66 -8.533 -8.551 -19.856 467 1HH1 ARG 66 2HH2 ARG 66 -11.258 -7.110 -21.552 468 2HH1 ARG 66 1HH2 ARG 66 -10.324 -5.810 -22.213 469 1HH2 ARG 66 2HH1 ARG 66 -7.299 -6.836 -20.727 470 2HH2 ARG 66 1HH1 ARG 66 -8.057 -5.653 -21.741 471 H PHE 67 H PHE 67 -8.792 -13.338 -19.340 472 HA PHE 67 HA PHE 67 -10.304 -14.545 -21.548 473 1HB PHE 67 1HB PHE 67 -7.548 -13.277 -21.186 474 2HB PHE 67 2HB PHE 67 -7.784 -14.425 -22.489 475 HD1 PHE 67 HD1 PHE 67 -10.571 -13.705 -23.305 476 HD2 PHE 67 HD2 PHE 67 -7.241 -11.263 -22.331 477 HE1 PHE 67 HE1 PHE 67 -11.491 -11.873 -24.754 478 HE2 PHE 67 HE2 PHE 67 -8.160 -9.431 -23.779 479 HZ PHE 67 HZ PHE 67 -10.274 -9.758 -24.973 480 H ALA 68 H ALA 68 -7.126 -14.958 -19.815 481 HA ALA 68 HA ALA 68 -6.859 -17.646 -20.462 482 1HB ALA 68 1HB ALA 68 -5.187 -15.885 -19.492 483 2HB ALA 68 2HB ALA 68 -5.790 -16.433 -17.909 484 3HB ALA 68 3HB ALA 68 -5.013 -17.591 -19.015 485 H ASN 69 H ASN 69 -9.110 -16.072 -18.393 486 HA ASN 69 HA ASN 69 -10.403 -16.735 -16.755 487 1HB ASN 69 1HB ASN 69 -11.631 -18.901 -17.230 488 2HB ASN 69 2HB ASN 69 -11.527 -17.851 -18.629 489 1HD2 ASN 69 2HD2 ASN 69 -9.971 -18.277 -20.257 490 2HD2 ASN 69 1HD2 ASN 69 -9.356 -19.872 -20.530 491 H LEU 70 H LEU 70 -8.960 -16.877 -14.919 492 HA LEU 70 HA LEU 70 -7.641 -19.442 -14.493 493 1HB LEU 70 1HB LEU 70 -7.350 -16.710 -13.261 494 2HB LEU 70 2HB LEU 70 -6.623 -18.136 -12.548 495 HG LEU 70 HG LEU 70 -6.088 -17.288 -15.402 496 1HD1 LEU 70 1HD1 LEU 70 -5.421 -15.745 -13.239 497 2HD1 LEU 70 2HD1 LEU 70 -3.972 -16.759 -13.434 498 3HD1 LEU 70 3HD1 LEU 70 -4.557 -15.773 -14.795 499 1HD2 LEU 70 1HD2 LEU 70 -5.513 -19.559 -15.094 500 2HD2 LEU 70 2HD2 LEU 70 -3.988 -18.647 -14.986 501 3HD2 LEU 70 3HD2 LEU 70 -4.776 -19.241 -13.505 502 HA PRO 71 HA PRO 71 -10.440 -20.648 -11.439 503 1HB PRO 71 1HB PRO 71 -8.887 -22.013 -9.652 504 2HB PRO 71 2HB PRO 71 -9.425 -22.698 -11.173 505 1HG PRO 71 1HG PRO 71 -6.742 -21.697 -10.437 506 2HG PRO 71 2HG PRO 71 -7.195 -22.752 -11.761 507 1HD PRO 71 1HD PRO 71 -6.554 -19.962 -11.932 508 2HD PRO 71 2HD PRO 71 -7.119 -20.989 -13.234 509 H ASN 72 H ASN 72 -11.035 -20.710 -9.027 510 HA ASN 72 HA ASN 72 -11.230 -18.202 -8.165 511 1HB ASN 72 1HB ASN 72 -11.100 -19.435 -5.744 512 2HB ASN 72 2HB ASN 72 -12.471 -19.633 -6.817 513 1HD2 ASN 72 2HD2 ASN 72 -10.645 -21.283 -4.833 514 2HD2 ASN 72 1HD2 ASN 72 -10.525 -22.832 -5.599 515 H ASN 73 H ASN 73 -9.006 -20.523 -6.453 516 HA ASN 73 HA ASN 73 -7.456 -18.460 -5.407 517 1HB ASN 73 1HB ASN 73 -7.545 -21.391 -5.326 518 2HB ASN 73 2HB ASN 73 -5.884 -20.846 -5.443 519 1HD2 ASN 73 2HD2 ASN 73 -5.618 -21.696 -3.323 520 2HD2 ASN 73 1HD2 ASN 73 -6.083 -20.788 -1.922 521 H ALA 74 H ALA 74 -7.747 -19.513 -8.568 522 HA ALA 74 HA ALA 74 -6.244 -19.894 -10.264 523 1HB ALA 74 1HB ALA 74 -5.376 -17.607 -10.910 524 2HB ALA 74 2HB ALA 74 -7.111 -17.655 -10.514 525 3HB ALA 74 3HB ALA 74 -5.946 -17.014 -9.331 526 H LYS 75 H LYS 75 -4.764 -21.469 -9.377 527 HA LYS 75 HA LYS 75 -2.391 -20.393 -8.093 528 1HB LYS 75 1HB LYS 75 -2.986 -23.295 -8.691 529 2HB LYS 75 2HB LYS 75 -1.882 -22.634 -7.501 530 1HG LYS 75 1HG LYS 75 -4.419 -21.473 -6.916 531 2HG LYS 75 2HG LYS 75 -4.744 -23.161 -7.257 532 1HD LYS 75 1HD LYS 75 -2.892 -22.001 -5.142 533 2HD LYS 75 2HD LYS 75 -4.268 -23.061 -4.908 534 1HE LYS 75 1HE LYS 75 -2.461 -24.418 -6.686 535 2HE LYS 75 2HE LYS 75 -1.496 -23.776 -5.371 536 1HZ LYS 75 1HZ LYS 75 -2.215 -25.616 -4.364 537 2HZ LYS 75 2HZ LYS 75 -3.562 -24.750 -4.047 538 3HZ LYS 75 3HZ LYS 75 -3.538 -25.791 -5.305 539 H LEU 76 H LEU 76 -0.585 -19.871 -9.200 540 HA LEU 76 HA LEU 76 -0.280 -21.094 -11.855 541 1HB LEU 76 1HB LEU 76 0.868 -18.410 -11.316 542 2HB LEU 76 2HB LEU 76 0.281 -19.110 -12.811 543 HG LEU 76 HG LEU 76 -1.264 -17.443 -12.380 544 1HD1 LEU 76 1HD1 LEU 76 -2.124 -20.086 -12.196 545 2HD1 LEU 76 2HD1 LEU 76 -2.996 -19.240 -10.895 546 3HD1 LEU 76 3HD1 LEU 76 -3.116 -18.657 -12.572 547 1HD2 LEU 76 1HD2 LEU 76 -1.749 -18.157 -9.514 548 2HD2 LEU 76 2HD2 LEU 76 -0.298 -17.221 -9.943 549 3HD2 LEU 76 3HD2 LEU 76 -1.913 -16.595 -10.350 550 H GLU 77 H GLU 77 1.895 -21.587 -12.512 551 HA GLU 77 HA GLU 77 3.602 -21.941 -10.189 552 1HB GLU 77 1HB GLU 77 4.038 -23.250 -12.889 553 2HB GLU 77 2HB GLU 77 4.591 -23.790 -11.316 554 1HG GLU 77 1HG GLU 77 1.770 -23.637 -11.071 555 2HG GLU 77 2HG GLU 77 2.041 -24.318 -12.663 556 H MET 78 H MET 78 5.662 -21.029 -10.072 557 HA MET 78 HA MET 78 6.192 -19.051 -12.100 558 1HB MET 78 1HB MET 78 6.481 -19.179 -9.300 559 2HB MET 78 2HB MET 78 8.130 -19.361 -9.864 560 1HG MET 78 1HG MET 78 7.425 -17.298 -11.461 561 2HG MET 78 2HG MET 78 6.262 -17.015 -10.181 562 1HE MET 78 1HE MET 78 9.575 -17.298 -11.457 563 2HE MET 78 2HE MET 78 9.979 -15.651 -10.915 564 3HE MET 78 3HE MET 78 10.748 -17.057 -10.140 565 H VAL 79 H VAL 79 7.963 -19.061 -13.502 566 HA VAL 79 HA VAL 79 9.991 -21.101 -13.120 567 HB VAL 79 HB VAL 79 9.618 -22.271 -15.044 568 1HG1 VAL 79 1HG1 VAL 79 6.798 -21.398 -14.332 569 2HG1 VAL 79 2HG1 VAL 79 7.267 -22.898 -15.166 570 3HG1 VAL 79 3HG1 VAL 79 7.741 -22.637 -13.471 571 1HG2 VAL 79 1HG2 VAL 79 9.610 -20.304 -16.541 572 2HG2 VAL 79 2HG2 VAL 79 8.370 -21.499 -16.993 573 3HG2 VAL 79 3HG2 VAL 79 7.903 -20.013 -16.132 574 HA PRO 80 HA PRO 80 12.286 -17.730 -14.590 575 1HB PRO 80 1HB PRO 80 14.740 -18.920 -14.762 576 2HB PRO 80 2HB PRO 80 14.082 -18.293 -13.264 577 1HG PRO 80 1HG PRO 80 14.334 -21.104 -14.143 578 2HG PRO 80 2HG PRO 80 14.087 -20.478 -12.525 579 1HD PRO 80 1HD PRO 80 12.111 -21.685 -14.219 580 2HD PRO 80 2HD PRO 80 11.841 -20.955 -12.649 581 H VAL 81 H VAL 81 12.564 -16.701 -16.484 582 HA VAL 81 HA VAL 81 13.812 -17.563 -18.656 583 HB VAL 81 HB VAL 81 12.334 -19.606 -18.450 584 1HG1 VAL 81 1HG1 VAL 81 10.145 -18.303 -19.926 585 2HG1 VAL 81 2HG1 VAL 81 10.092 -19.516 -18.625 586 3HG1 VAL 81 3HG1 VAL 81 10.280 -17.791 -18.227 587 1HG2 VAL 81 1HG2 VAL 81 13.236 -18.159 -20.732 588 2HG2 VAL 81 2HG2 VAL 81 12.975 -19.912 -20.562 589 3HG2 VAL 81 3HG2 VAL 81 11.653 -18.866 -21.133 590 H SER 82 H SER 82 11.712 -16.985 -20.705 591 HA SER 82 HA SER 82 11.055 -14.271 -19.875 592 1HB SER 82 1HB SER 82 11.727 -13.403 -22.043 593 2HB SER 82 2HB SER 82 13.075 -14.294 -21.364 594 HG SER 82 HG SER 82 11.890 -14.678 -23.744 595 H ARG 83 H ARG 83 9.501 -13.316 -21.811 596 HA ARG 83 HA ARG 83 7.122 -14.342 -21.563 597 1HB ARG 83 1HB ARG 83 8.467 -12.763 -23.658 598 2HB ARG 83 2HB ARG 83 7.119 -13.673 -24.312 599 1HG ARG 83 1HG ARG 83 5.808 -11.975 -23.542 600 2HG ARG 83 2HG ARG 83 6.028 -12.689 -21.957 601 1HD ARG 83 1HD ARG 83 6.715 -10.477 -21.562 602 2HD ARG 83 2HD ARG 83 8.250 -11.257 -21.885 603 HE ARG 83 HE ARG 83 7.102 -10.317 -24.356 604 1HH1 ARG 83 2HH2 ARG 83 8.698 -9.152 -21.445 605 2HH1 ARG 83 1HH2 ARG 83 9.345 -7.739 -22.211 606 1HH2 ARG 83 2HH1 ARG 83 7.956 -8.453 -25.367 607 2HH2 ARG 83 1HH1 ARG 83 8.920 -7.339 -24.457 608 H SER 84 H SER 84 9.271 -15.237 -24.372 609 HA SER 84 HA SER 84 9.455 -17.053 -25.548 610 1HB SER 84 1HB SER 84 9.137 -18.038 -23.000 611 2HB SER 84 2HB SER 84 7.813 -18.843 -23.819 612 HG SER 84 HG SER 84 9.474 -19.471 -25.491 613 H ARG 85 H ARG 85 8.046 -16.032 -27.158 614 HA ARG 85 HA ARG 85 5.432 -15.891 -27.260 615 1HB ARG 85 1HB ARG 85 7.210 -16.915 -29.533 616 2HB ARG 85 2HB ARG 85 5.603 -16.252 -29.757 617 1HG ARG 85 1HG ARG 85 7.164 -14.411 -28.139 618 2HG ARG 85 2HG ARG 85 8.080 -14.824 -29.575 619 1HD ARG 85 1HD ARG 85 6.673 -12.879 -30.068 620 2HD ARG 85 2HD ARG 85 6.091 -14.245 -30.999 621 HE ARG 85 HE ARG 85 4.607 -14.384 -28.656 622 1HH1 ARG 85 2HH2 ARG 85 5.173 -11.878 -31.060 623 2HH1 ARG 85 1HH2 ARG 85 3.632 -11.125 -30.824 624 1HH2 ARG 85 2HH1 ARG 85 2.572 -13.391 -28.345 625 2HH2 ARG 85 1HH1 ARG 85 2.142 -11.991 -29.270 Start of MODEL 5 1 H SER 10 H SER 10 -12.001 -12.832 -6.961 2 HA SER 10 HA SER 10 -11.221 -15.579 -7.416 3 1HB SER 10 1HB SER 10 -10.954 -12.995 -8.900 4 2HB SER 10 2HB SER 10 -9.630 -14.126 -9.095 5 HG SER 10 HG SER 10 -12.060 -14.181 -10.283 6 H ALA 11 H ALA 11 -8.861 -16.148 -7.392 7 HA ALA 11 HA ALA 11 -7.171 -14.326 -5.893 8 1HB ALA 11 1HB ALA 11 -8.423 -16.789 -4.802 9 2HB ALA 11 2HB ALA 11 -6.670 -16.638 -4.528 10 3HB ALA 11 3HB ALA 11 -7.774 -15.363 -3.957 11 H VAL 12 H VAL 12 -4.975 -14.617 -6.369 12 HA VAL 12 HA VAL 12 -4.432 -16.781 -8.284 13 HB VAL 12 HB VAL 12 -4.141 -13.915 -8.485 14 1HG1 VAL 12 1HG1 VAL 12 -1.895 -14.019 -7.805 15 2HG1 VAL 12 2HG1 VAL 12 -1.620 -15.573 -8.627 16 3HG1 VAL 12 3HG1 VAL 12 -1.814 -14.084 -9.582 17 1HG2 VAL 12 1HG2 VAL 12 -3.606 -16.171 -10.448 18 2HG2 VAL 12 2HG2 VAL 12 -5.167 -15.357 -10.185 19 3HG2 VAL 12 3HG2 VAL 12 -3.792 -14.449 -10.858 20 H SER 13 H SER 13 -2.734 -18.126 -7.817 21 HA SER 13 HA SER 13 -1.095 -17.298 -5.549 22 1HB SER 13 1HB SER 13 -2.744 -19.161 -5.049 23 2HB SER 13 2HB SER 13 -1.923 -20.150 -6.241 24 HG SER 13 HG SER 13 -1.277 -20.295 -3.841 25 H VAL 14 H VAL 14 1.148 -17.524 -5.796 26 HA VAL 14 HA VAL 14 2.009 -18.743 -8.329 27 HB VAL 14 HB VAL 14 3.677 -16.642 -7.088 28 1HG1 VAL 14 1HG1 VAL 14 4.515 -17.409 -9.115 29 2HG1 VAL 14 2HG1 VAL 14 2.900 -17.547 -9.852 30 3HG1 VAL 14 3HG1 VAL 14 3.632 -15.943 -9.606 31 1HG2 VAL 14 1HG2 VAL 14 1.602 -15.542 -6.703 32 2HG2 VAL 14 2HG2 VAL 14 2.271 -14.843 -8.198 33 3HG2 VAL 14 3HG2 VAL 14 0.959 -16.043 -8.286 34 H LEU 15 H LEU 15 3.153 -20.572 -8.003 35 HA LEU 15 HA LEU 15 4.469 -20.865 -5.403 36 1HB LEU 15 1HB LEU 15 4.192 -23.144 -5.583 37 2HB LEU 15 2HB LEU 15 2.699 -22.496 -6.233 38 HG LEU 15 HG LEU 15 4.079 -22.742 -8.534 39 1HD1 LEU 15 1HD1 LEU 15 5.969 -23.753 -6.988 40 2HD1 LEU 15 2HD1 LEU 15 5.002 -25.236 -7.171 41 3HD1 LEU 15 3HD1 LEU 15 5.643 -24.408 -8.610 42 1HD2 LEU 15 1HD2 LEU 15 2.979 -25.335 -7.858 43 2HD2 LEU 15 2HD2 LEU 15 1.931 -24.018 -7.280 44 3HD2 LEU 15 3HD2 LEU 15 2.387 -24.103 -8.998 45 H ALA 16 H ALA 16 6.556 -20.222 -5.413 46 HA ALA 16 HA ALA 16 8.037 -20.267 -7.884 47 1HB ALA 16 1HB ALA 16 8.007 -18.624 -5.697 48 2HB ALA 16 2HB ALA 16 9.410 -19.655 -5.326 49 3HB ALA 16 3HB ALA 16 9.360 -18.734 -6.848 50 HA PRO 17 HA PRO 17 9.716 -24.196 -7.073 51 1HB PRO 17 1HB PRO 17 11.479 -24.313 -9.158 52 2HB PRO 17 2HB PRO 17 9.779 -24.708 -9.317 53 1HG PRO 17 1HG PRO 17 11.210 -22.284 -10.217 54 2HG PRO 17 2HG PRO 17 9.645 -22.887 -10.725 55 1HD PRO 17 1HD PRO 17 10.144 -20.706 -8.930 56 2HD PRO 17 2HD PRO 17 8.583 -21.383 -9.348 57 H ASN 18 H ASN 18 11.268 -21.281 -6.740 58 HA ASN 18 HA ASN 18 13.818 -22.378 -6.164 59 1HB ASN 18 1HB ASN 18 14.040 -19.942 -5.088 60 2HB ASN 18 2HB ASN 18 13.992 -20.131 -6.829 61 1HD2 ASN 18 2HD2 ASN 18 13.056 -18.088 -4.714 62 2HD2 ASN 18 1HD2 ASN 18 11.459 -17.645 -5.216 63 H GLY 19 H GLY 19 10.958 -22.817 -4.647 64 1HA GLY 19 1HA GLY 19 10.684 -23.778 -2.562 65 2HA GLY 19 2HA GLY 19 12.188 -23.067 -2.011 66 H ARG 20 H ARG 20 10.139 -20.891 -3.808 67 HA ARG 20 HA ARG 20 9.328 -19.720 -1.270 68 1HB ARG 20 1HB ARG 20 10.436 -18.574 -3.787 69 2HB ARG 20 2HB ARG 20 9.068 -17.684 -3.149 70 1HG ARG 20 1HG ARG 20 11.202 -18.507 -1.191 71 2HG ARG 20 2HG ARG 20 11.606 -17.230 -2.322 72 1HD ARG 20 1HD ARG 20 9.387 -16.092 -1.612 73 2HD ARG 20 2HD ARG 20 9.317 -17.259 -0.306 74 HE ARG 20 HE ARG 20 11.130 -14.976 -0.505 75 1HH1 ARG 20 2HH2 ARG 20 10.697 -18.167 0.914 76 2HH1 ARG 20 1HH2 ARG 20 11.778 -17.867 2.233 77 1HH2 ARG 20 2HH1 ARG 20 12.556 -14.580 1.235 78 2HH2 ARG 20 1HH1 ARG 20 12.843 -15.813 2.417 79 H ARG 21 H ARG 21 7.150 -19.968 -0.882 80 HA ARG 21 HA ARG 21 5.448 -20.147 -3.234 81 1HB ARG 21 1HB ARG 21 5.647 -21.767 -0.869 82 2HB ARG 21 2HB ARG 21 4.101 -20.946 -0.781 83 1HG ARG 21 1HG ARG 21 4.387 -21.803 -3.494 84 2HG ARG 21 2HG ARG 21 4.898 -23.154 -2.503 85 1HD ARG 21 1HD ARG 21 2.333 -21.666 -1.841 86 2HD ARG 21 2HD ARG 21 2.341 -22.893 -3.091 87 HE ARG 21 HE ARG 21 3.612 -24.117 -0.929 88 1HH1 ARG 21 2HH2 ARG 21 0.490 -22.577 -1.443 89 2HH1 ARG 21 1HH2 ARG 21 -0.326 -23.546 -0.261 90 1HH2 ARG 21 2HH1 ARG 21 2.536 -25.395 0.630 91 2HH2 ARG 21 1HH1 ARG 21 0.846 -25.160 0.925 92 H HIS 22 H HIS 22 4.246 -18.315 -3.625 93 HA HIS 22 HA HIS 22 3.171 -16.910 -1.316 94 1HB HIS 22 1HB HIS 22 3.849 -14.753 -2.122 95 2HB HIS 22 2HB HIS 22 5.268 -15.765 -1.931 96 HD1 HIS 22 HD1 HIS 22 5.506 -17.247 -4.537 97 HD2 HIS 22 HD2 HIS 22 4.285 -13.239 -4.343 98 HE1 HIS 22 HE1 HIS 22 5.985 -16.242 -6.832 99 H THR 23 H THR 23 1.095 -16.090 -1.651 100 HA THR 23 HA THR 23 0.014 -16.531 -4.357 101 HB THR 23 HB THR 23 -0.790 -18.245 -2.764 102 HG1 THR 23 HG1 THR 23 -2.999 -17.713 -3.194 103 1HG2 THR 23 1HG2 THR 23 -1.940 -17.700 -0.729 104 2HG2 THR 23 2HG2 THR 23 -0.477 -16.687 -0.685 105 3HG2 THR 23 3HG2 THR 23 -2.039 -15.975 -1.156 106 H VAL 24 H VAL 24 -1.043 -14.886 -5.332 107 HA VAL 24 HA VAL 24 -1.510 -12.516 -3.656 108 HB VAL 24 HB VAL 24 -0.484 -12.737 -6.489 109 1HG1 VAL 24 1HG1 VAL 24 -0.944 -10.119 -5.070 110 2HG1 VAL 24 2HG1 VAL 24 -0.737 -10.442 -6.808 111 3HG1 VAL 24 3HG1 VAL 24 -2.253 -10.894 -5.993 112 1HG2 VAL 24 1HG2 VAL 24 0.713 -12.012 -3.845 113 2HG2 VAL 24 2HG2 VAL 24 1.409 -12.921 -5.208 114 3HG2 VAL 24 3HG2 VAL 24 1.282 -11.147 -5.293 115 H LYS 25 H LYS 25 -3.601 -11.876 -3.555 116 HA LYS 25 HA LYS 25 -5.505 -13.262 -5.212 117 1HB LYS 25 1HB LYS 25 -7.169 -12.175 -3.786 118 2HB LYS 25 2HB LYS 25 -5.943 -12.988 -2.834 119 1HG LYS 25 1HG LYS 25 -5.062 -10.273 -3.349 120 2HG LYS 25 2HG LYS 25 -6.705 -10.220 -2.742 121 1HD LYS 25 1HD LYS 25 -5.577 -12.101 -1.054 122 2HD LYS 25 2HD LYS 25 -4.201 -11.059 -1.362 123 1HE LYS 25 1HE LYS 25 -5.152 -9.932 0.443 124 2HE LYS 25 2HE LYS 25 -5.952 -9.102 -0.877 125 1HZ LYS 25 1HZ LYS 25 -7.866 -10.349 -0.558 126 2HZ LYS 25 2HZ LYS 25 -7.126 -11.483 0.355 127 3HZ LYS 25 3HZ LYS 25 -7.386 -9.990 0.961 128 H VAL 26 H VAL 26 -5.945 -12.589 -7.237 129 HA VAL 26 HA VAL 26 -5.874 -9.686 -7.697 130 HB VAL 26 HB VAL 26 -5.081 -10.078 -9.882 131 1HG1 VAL 26 1HG1 VAL 26 -3.673 -11.452 -7.654 132 2HG1 VAL 26 2HG1 VAL 26 -3.088 -11.803 -9.298 133 3HG1 VAL 26 3HG1 VAL 26 -3.136 -10.124 -8.710 134 1HG2 VAL 26 1HG2 VAL 26 -5.640 -13.013 -9.370 135 2HG2 VAL 26 2HG2 VAL 26 -6.383 -11.952 -10.591 136 3HG2 VAL 26 3HG2 VAL 26 -4.672 -12.419 -10.741 137 H THR 27 H THR 27 -7.334 -9.080 -9.660 138 HA THR 27 HA THR 27 -9.924 -10.307 -9.133 139 HB THR 27 HB THR 27 -9.809 -8.041 -11.015 140 HG1 THR 27 HG1 THR 27 -8.587 -8.000 -8.346 141 1HG2 THR 27 1HG2 THR 27 -10.752 -7.424 -8.319 142 2HG2 THR 27 2HG2 THR 27 -11.686 -7.491 -9.833 143 3HG2 THR 27 3HG2 THR 27 -11.447 -8.968 -8.869 144 HA PRO 28 HA PRO 28 -10.092 -12.454 -12.842 145 1HB PRO 28 1HB PRO 28 -12.782 -12.562 -13.309 146 2HB PRO 28 2HB PRO 28 -11.964 -13.615 -12.172 147 1HG PRO 28 1HG PRO 28 -13.683 -11.274 -11.623 148 2HG PRO 28 2HG PRO 28 -13.213 -12.569 -10.540 149 1HD PRO 28 1HD PRO 28 -12.152 -9.905 -10.591 150 2HD PRO 28 2HD PRO 28 -11.603 -11.232 -9.588 151 H SER 29 H SER 29 -11.025 -9.241 -12.669 152 HA SER 29 HA SER 29 -11.207 -9.177 -15.576 153 1HB SER 29 1HB SER 29 -12.125 -6.779 -15.057 154 2HB SER 29 2HB SER 29 -13.170 -8.161 -14.799 155 HG SER 29 HG SER 29 -13.387 -7.197 -12.866 156 H THR 30 H THR 30 -9.019 -8.842 -13.086 157 HA THR 30 HA THR 30 -7.717 -6.443 -14.084 158 HB THR 30 HB THR 30 -7.461 -8.315 -11.714 159 HG1 THR 30 HG1 THR 30 -8.773 -6.256 -11.907 160 1HG2 THR 30 1HG2 THR 30 -5.104 -7.849 -12.672 161 2HG2 THR 30 2HG2 THR 30 -5.443 -6.123 -12.396 162 3HG2 THR 30 3HG2 THR 30 -5.395 -7.252 -11.020 163 H VAL 31 H VAL 31 -5.794 -6.338 -15.199 164 HA VAL 31 HA VAL 31 -5.182 -8.685 -16.716 165 HB VAL 31 HB VAL 31 -3.453 -7.138 -17.706 166 1HG1 VAL 31 1HG1 VAL 31 -5.053 -6.722 -19.201 167 2HG1 VAL 31 2HG1 VAL 31 -6.271 -7.218 -18.002 168 3HG1 VAL 31 3HG1 VAL 31 -5.788 -5.510 -18.126 169 1HG2 VAL 31 1HG2 VAL 31 -4.857 -4.921 -16.218 170 2HG2 VAL 31 2HG2 VAL 31 -3.411 -5.710 -15.544 171 3HG2 VAL 31 3HG2 VAL 31 -3.321 -4.878 -17.116 172 H LEU 32 H LEU 32 -3.649 -10.201 -16.296 173 HA LEU 32 HA LEU 32 -2.361 -10.278 -13.845 174 1HB LEU 32 1HB LEU 32 -1.860 -11.721 -16.446 175 2HB LEU 32 2HB LEU 32 -0.985 -12.081 -14.970 176 HG LEU 32 HG LEU 32 -3.948 -12.097 -14.756 177 1HD1 LEU 32 1HD1 LEU 32 -2.524 -13.697 -16.761 178 2HD1 LEU 32 2HD1 LEU 32 -3.504 -14.661 -15.631 179 3HD1 LEU 32 3HD1 LEU 32 -4.261 -13.357 -16.577 180 1HD2 LEU 32 1HD2 LEU 32 -1.928 -12.802 -13.098 181 2HD2 LEU 32 2HD2 LEU 32 -3.577 -13.466 -13.007 182 3HD2 LEU 32 3HD2 LEU 32 -2.296 -14.375 -13.845 183 H LEU 33 H LEU 33 -1.614 -8.518 -16.763 184 HA LEU 33 HA LEU 33 1.169 -8.355 -16.448 185 1HB LEU 33 1HB LEU 33 1.079 -6.641 -18.069 186 2HB LEU 33 2HB LEU 33 -0.102 -7.859 -18.509 187 HG LEU 33 HG LEU 33 -1.720 -6.196 -17.146 188 1HD1 LEU 33 1HD1 LEU 33 -0.081 -4.126 -18.518 189 2HD1 LEU 33 2HD1 LEU 33 -1.126 -4.007 -17.082 190 3HD1 LEU 33 3HD1 LEU 33 0.499 -4.719 -16.943 191 1HD2 LEU 33 1HD2 LEU 33 -1.402 -6.982 -19.756 192 2HD2 LEU 33 2HD2 LEU 33 -2.715 -5.954 -19.134 193 3HD2 LEU 33 3HD2 LEU 33 -1.277 -5.210 -19.875 194 H GLN 34 H GLN 34 -1.580 -6.369 -15.218 195 HA GLN 34 HA GLN 34 0.087 -4.455 -14.044 196 1HB GLN 34 1HB GLN 34 -1.909 -3.556 -13.097 197 2HB GLN 34 2HB GLN 34 -2.397 -4.241 -14.635 198 1HG GLN 34 1HG GLN 34 -3.933 -5.493 -13.535 199 2HG GLN 34 2HG GLN 34 -2.619 -6.385 -12.794 200 1HE2 GLN 34 2HE2 GLN 34 -1.882 -5.851 -10.744 201 2HE2 GLN 34 1HE2 GLN 34 -2.797 -4.890 -9.632 202 H VAL 35 H VAL 35 -1.317 -7.562 -12.948 203 HA VAL 35 HA VAL 35 -0.605 -7.179 -10.223 204 HB VAL 35 HB VAL 35 -1.583 -9.204 -9.878 205 1HG1 VAL 35 1HG1 VAL 35 -3.543 -9.365 -11.189 206 2HG1 VAL 35 2HG1 VAL 35 -3.068 -7.651 -11.267 207 3HG1 VAL 35 3HG1 VAL 35 -2.727 -8.732 -12.639 208 1HG2 VAL 35 1HG2 VAL 35 -0.801 -10.161 -12.651 209 2HG2 VAL 35 2HG2 VAL 35 0.143 -10.465 -11.172 210 3HG2 VAL 35 3HG2 VAL 35 -1.500 -11.131 -11.332 211 H LEU 36 H LEU 36 0.795 -9.044 -13.001 212 HA LEU 36 HA LEU 36 2.963 -10.053 -11.565 213 1HB LEU 36 1HB LEU 36 2.236 -11.004 -13.646 214 2HB LEU 36 2HB LEU 36 2.552 -9.509 -14.505 215 HG LEU 36 HG LEU 36 4.917 -9.770 -14.296 216 1HD1 LEU 36 1HD1 LEU 36 5.962 -11.642 -13.080 217 2HD1 LEU 36 2HD1 LEU 36 5.054 -10.552 -12.005 218 3HD1 LEU 36 3HD1 LEU 36 4.360 -12.124 -12.471 219 1HD2 LEU 36 1HD2 LEU 36 5.186 -12.187 -15.233 220 2HD2 LEU 36 2HD2 LEU 36 3.407 -12.209 -15.184 221 3HD2 LEU 36 3HD2 LEU 36 4.256 -10.978 -16.151 222 H GLU 37 H GLU 37 2.438 -6.965 -13.321 223 HA GLU 37 HA GLU 37 5.099 -6.154 -13.188 224 1HB GLU 37 1HB GLU 37 2.479 -4.643 -13.501 225 2HB GLU 37 2HB GLU 37 4.026 -3.819 -13.513 226 1HG GLU 37 1HG GLU 37 3.694 -6.223 -15.306 227 2HG GLU 37 2HG GLU 37 2.897 -4.735 -15.776 228 H ASP 38 H ASP 38 2.254 -5.642 -11.025 229 HA ASP 38 HA ASP 38 3.437 -3.841 -9.328 230 1HB ASP 38 1HB ASP 38 1.124 -5.664 -9.316 231 2HB ASP 38 2HB ASP 38 1.796 -5.473 -7.709 232 H THR 39 H THR 39 3.115 -7.466 -9.083 233 HA THR 39 HA THR 39 4.658 -7.708 -6.741 234 HB THR 39 HB THR 39 4.711 -10.161 -7.577 235 HG1 THR 39 HG1 THR 39 4.103 -10.336 -9.700 236 1HG2 THR 39 1HG2 THR 39 2.672 -8.883 -6.347 237 2HG2 THR 39 2HG2 THR 39 1.895 -9.128 -7.930 238 3HG2 THR 39 3HG2 THR 39 2.470 -10.529 -6.994 239 H CYS 40 H CYS 40 5.504 -7.576 -10.205 240 HA CYS 40 HA CYS 40 8.131 -8.506 -9.848 241 1HB CYS 40 1HB CYS 40 6.670 -7.049 -12.034 242 2HB CYS 40 2HB CYS 40 8.417 -7.172 -12.106 243 HG CYS 40 HG CYS 40 6.382 -9.126 -13.141 244 H ARG 41 H ARG 41 6.481 -5.326 -9.659 245 HA ARG 41 HA ARG 41 8.819 -3.812 -9.618 246 1HB ARG 41 1HB ARG 41 7.326 -2.081 -9.595 247 2HB ARG 41 2HB ARG 41 6.071 -3.301 -9.673 248 1HG ARG 41 1HG ARG 41 5.907 -3.362 -7.213 249 2HG ARG 41 2HG ARG 41 7.269 -2.270 -7.059 250 1HD ARG 41 1HD ARG 41 5.675 -0.762 -8.692 251 2HD ARG 41 2HD ARG 41 4.438 -1.675 -7.852 252 HE ARG 41 HE ARG 41 4.965 -0.545 -5.859 253 1HH1 ARG 41 2HH2 ARG 41 7.485 0.028 -8.247 254 2HH1 ARG 41 1HH2 ARG 41 8.273 1.253 -7.310 255 1HH2 ARG 41 2HH1 ARG 41 6.004 1.072 -4.621 256 2HH2 ARG 41 1HH1 ARG 41 7.425 1.851 -5.233 257 H ARG 42 H ARG 42 6.638 -5.097 -7.016 258 HA ARG 42 HA ARG 42 8.242 -4.013 -4.970 259 1HB ARG 42 1HB ARG 42 6.794 -5.686 -3.548 260 2HB ARG 42 2HB ARG 42 5.986 -4.347 -4.338 261 1HG ARG 42 1HG ARG 42 6.063 -6.421 -6.283 262 2HG ARG 42 2HG ARG 42 5.649 -7.218 -4.778 263 1HD ARG 42 1HD ARG 42 4.227 -4.710 -5.789 264 2HD ARG 42 2HD ARG 42 3.657 -6.335 -6.114 265 HE ARG 42 HE ARG 42 4.111 -6.023 -3.287 266 1HH1 ARG 42 2HH2 ARG 42 1.874 -5.069 -5.831 267 2HH1 ARG 42 1HH2 ARG 42 0.528 -4.891 -4.756 268 1HH2 ARG 42 2HH1 ARG 42 2.335 -5.787 -1.868 269 2HH2 ARG 42 1HH1 ARG 42 0.791 -5.302 -2.487 270 H GLN 43 H GLN 43 7.942 -7.168 -6.653 271 HA GLN 43 HA GLN 43 9.868 -8.335 -4.853 272 1HB GLN 43 1HB GLN 43 9.147 -10.395 -5.626 273 2HB GLN 43 2HB GLN 43 7.707 -9.450 -5.948 274 1HG GLN 43 1HG GLN 43 8.897 -8.983 -8.290 275 2HG GLN 43 2HG GLN 43 9.805 -10.429 -7.896 276 1HE2 GLN 43 2HE2 GLN 43 8.503 -12.324 -7.156 277 2HE2 GLN 43 1HE2 GLN 43 7.016 -12.667 -7.976 278 H ASP 44 H ASP 44 10.113 -6.192 -7.293 279 HA ASP 44 HA ASP 44 11.511 -5.750 -8.916 280 1HB ASP 44 1HB ASP 44 13.975 -6.252 -8.296 281 2HB ASP 44 2HB ASP 44 13.055 -5.261 -7.181 282 H PHE 45 H PHE 45 10.309 -7.641 -10.144 283 HA PHE 45 HA PHE 45 12.328 -9.632 -10.897 284 1HB PHE 45 1HB PHE 45 9.502 -9.822 -9.936 285 2HB PHE 45 2HB PHE 45 9.772 -10.714 -11.420 286 HD1 PHE 45 HD1 PHE 45 9.612 -12.928 -10.661 287 HD2 PHE 45 HD2 PHE 45 12.203 -10.229 -8.659 288 HE1 PHE 45 HE1 PHE 45 10.577 -14.833 -9.342 289 HE2 PHE 45 HE2 PHE 45 13.168 -12.134 -7.339 290 HZ PHE 45 HZ PHE 45 12.343 -14.413 -7.697 291 H ASN 46 H ASN 46 12.029 -10.500 -13.136 292 HA ASN 46 HA ASN 46 10.703 -8.500 -14.793 293 1HB ASN 46 1HB ASN 46 13.459 -9.536 -14.829 294 2HB ASN 46 2HB ASN 46 12.677 -9.799 -16.374 295 1HD2 ASN 46 2HD2 ASN 46 14.830 -8.093 -16.020 296 2HD2 ASN 46 1HD2 ASN 46 14.351 -6.455 -16.315 297 HA PRO 47 HA PRO 47 8.673 -12.015 -16.464 298 1HB PRO 47 1HB PRO 47 7.701 -10.986 -18.801 299 2HB PRO 47 2HB PRO 47 6.928 -10.735 -17.249 300 1HG PRO 47 1HG PRO 47 8.539 -8.839 -18.844 301 2HG PRO 47 2HG PRO 47 7.424 -8.501 -17.535 302 1HD PRO 47 1HD PRO 47 10.289 -8.503 -17.392 303 2HD PRO 47 2HD PRO 47 9.173 -8.280 -16.059 304 H SER 48 H SER 48 10.955 -10.346 -18.505 305 HA SER 48 HA SER 48 11.153 -12.412 -20.363 306 1HB SER 48 1HB SER 48 11.967 -10.293 -21.047 307 2HB SER 48 2HB SER 48 12.906 -10.069 -19.584 308 HG SER 48 HG SER 48 13.638 -12.330 -21.097 309 H GLU 49 H GLU 49 11.976 -12.322 -17.077 310 HA GLU 49 HA GLU 49 13.960 -14.417 -17.512 311 1HB GLU 49 1HB GLU 49 13.897 -12.258 -15.366 312 2HB GLU 49 2HB GLU 49 14.910 -13.682 -15.243 313 1HG GLU 49 1HG GLU 49 15.276 -12.570 -17.882 314 2HG GLU 49 2HG GLU 49 15.405 -11.257 -16.728 315 H TYR 50 H TYR 50 10.829 -13.818 -16.681 316 HA TYR 50 HA TYR 50 10.721 -16.219 -15.047 317 1HB TYR 50 1HB TYR 50 9.693 -13.399 -14.367 318 2HB TYR 50 2HB TYR 50 9.067 -14.820 -13.555 319 HD1 TYR 50 HD1 TYR 50 11.481 -16.439 -13.090 320 HD2 TYR 50 HD2 TYR 50 10.918 -12.209 -12.780 321 HE1 TYR 50 HE1 TYR 50 13.377 -16.303 -11.402 322 HE2 TYR 50 HE2 TYR 50 12.816 -12.087 -11.093 323 HH TYR 50 HH TYR 50 14.963 -14.652 -10.610 324 H ASP 51 H ASP 51 8.852 -17.421 -15.390 325 HA ASP 51 HA ASP 51 6.848 -16.117 -17.052 326 1HB ASP 51 1HB ASP 51 8.376 -18.659 -17.497 327 2HB ASP 51 2HB ASP 51 6.664 -18.724 -17.866 328 H LEU 52 H LEU 52 4.646 -16.943 -16.677 329 HA LEU 52 HA LEU 52 4.445 -18.685 -14.320 330 1HB LEU 52 1HB LEU 52 2.493 -16.492 -14.975 331 2HB LEU 52 2HB LEU 52 2.653 -17.407 -13.488 332 HG LEU 52 HG LEU 52 3.479 -15.221 -13.069 333 1HD1 LEU 52 1HD1 LEU 52 6.086 -15.786 -12.887 334 2HD1 LEU 52 2HD1 LEU 52 4.863 -16.506 -11.813 335 3HD1 LEU 52 3HD1 LEU 52 5.472 -17.425 -13.210 336 1HD2 LEU 52 1HD2 LEU 52 4.256 -15.261 -15.783 337 2HD2 LEU 52 2HD2 LEU 52 4.355 -13.910 -14.628 338 3HD2 LEU 52 3HD2 LEU 52 5.740 -15.010 -14.832 339 H LYS 53 H LYS 53 3.091 -20.435 -14.490 340 HA LYS 53 HA LYS 53 1.175 -20.482 -16.662 341 1HB LYS 53 1HB LYS 53 3.241 -21.294 -17.715 342 2HB LYS 53 2HB LYS 53 3.423 -22.509 -16.467 343 1HG LYS 53 1HG LYS 53 0.811 -22.399 -17.979 344 2HG LYS 53 2HG LYS 53 2.210 -23.070 -18.793 345 1HD LYS 53 1HD LYS 53 1.527 -24.005 -15.992 346 2HD LYS 53 2HD LYS 53 0.627 -24.642 -17.354 347 1HE LYS 53 1HE LYS 53 3.678 -24.678 -17.200 348 2HE LYS 53 2HE LYS 53 2.673 -26.013 -16.672 349 1HZ LYS 53 1HZ LYS 53 3.230 -25.106 -19.339 350 2HZ LYS 53 2HZ LYS 53 2.922 -26.614 -18.793 351 3HZ LYS 53 3HZ LYS 53 1.689 -25.582 -19.078 352 H PHE 54 H PHE 54 -0.583 -21.861 -16.242 353 HA PHE 54 HA PHE 54 -0.418 -23.304 -13.696 354 1HB PHE 54 1HB PHE 54 -1.884 -21.651 -12.968 355 2HB PHE 54 2HB PHE 54 -2.080 -21.025 -14.593 356 HD1 PHE 54 HD1 PHE 54 -3.101 -24.064 -12.664 357 HD2 PHE 54 HD2 PHE 54 -4.217 -21.048 -15.432 358 HE1 PHE 54 HE1 PHE 54 -5.429 -25.000 -12.745 359 HE2 PHE 54 HE2 PHE 54 -6.545 -21.984 -15.513 360 HZ PHE 54 HZ PHE 54 -7.123 -23.949 -14.169 361 H GLN 55 H GLN 55 -0.685 -25.441 -14.127 362 HA GLN 55 HA GLN 55 -1.376 -27.291 -15.030 363 1HB GLN 55 1HB GLN 55 -3.553 -26.609 -14.095 364 2HB GLN 55 2HB GLN 55 -3.928 -25.702 -15.547 365 1HG GLN 55 1HG GLN 55 -4.324 -27.619 -16.823 366 2HG GLN 55 2HG GLN 55 -3.207 -28.603 -15.898 367 1HE2 GLN 55 2HE2 GLN 55 -5.517 -29.718 -16.465 368 2HE2 GLN 55 1HE2 GLN 55 -6.582 -29.812 -15.102 369 H ARG 56 H ARG 56 -3.629 -25.968 -17.354 370 HA ARG 56 HA ARG 56 -1.631 -26.465 -19.409 371 1HB ARG 56 1HB ARG 56 -4.652 -26.820 -19.340 372 2HB ARG 56 2HB ARG 56 -3.818 -26.687 -20.875 373 1HG ARG 56 1HG ARG 56 -2.845 -28.765 -20.687 374 2HG ARG 56 2HG ARG 56 -2.557 -28.593 -18.966 375 1HD ARG 56 1HD ARG 56 -4.439 -29.767 -18.463 376 2HD ARG 56 2HD ARG 56 -5.428 -28.714 -19.455 377 HE ARG 56 HE ARG 56 -4.241 -31.285 -20.266 378 1HH1 ARG 56 2HH2 ARG 56 -5.756 -28.295 -21.338 379 2HH1 ARG 56 1HH2 ARG 56 -6.251 -28.944 -22.866 380 1HH2 ARG 56 2HH1 ARG 56 -4.894 -32.142 -22.282 381 2HH2 ARG 56 1HH1 ARG 56 -5.757 -31.147 -23.406 382 H THR 57 H THR 57 -2.504 -23.925 -17.760 383 HA THR 57 HA THR 57 -2.968 -22.216 -20.116 384 HB THR 57 HB THR 57 -4.077 -22.096 -17.271 385 HG1 THR 57 HG1 THR 57 -6.015 -21.866 -18.807 386 1HG2 THR 57 1HG2 THR 57 -3.300 -19.842 -18.807 387 2HG2 THR 57 2HG2 THR 57 -5.035 -20.049 -19.147 388 3HG2 THR 57 3HG2 THR 57 -4.474 -19.851 -17.470 389 H VAL 58 H VAL 58 -1.360 -20.870 -20.608 390 HA VAL 58 HA VAL 58 0.833 -20.659 -18.751 391 HB VAL 58 HB VAL 58 1.886 -19.418 -20.614 392 1HG1 VAL 58 1HG1 VAL 58 2.022 -21.902 -20.396 393 2HG1 VAL 58 2HG1 VAL 58 0.640 -22.037 -21.510 394 3HG1 VAL 58 3HG1 VAL 58 2.170 -21.323 -22.073 395 1HG2 VAL 58 1HG2 VAL 58 -0.567 -20.092 -22.255 396 2HG2 VAL 58 2HG2 VAL 58 -0.331 -18.505 -21.484 397 3HG2 VAL 58 3HG2 VAL 58 0.827 -19.081 -22.708 398 H LEU 59 H LEU 59 1.503 -18.796 -17.657 399 HA LEU 59 HA LEU 59 -0.433 -16.587 -17.764 400 1HB LEU 59 1HB LEU 59 0.968 -17.918 -15.474 401 2HB LEU 59 2HB LEU 59 0.507 -16.232 -15.353 402 HG LEU 59 HG LEU 59 -1.205 -17.528 -14.328 403 1HD1 LEU 59 1HD1 LEU 59 -2.559 -17.010 -16.935 404 2HD1 LEU 59 2HD1 LEU 59 -3.029 -16.552 -15.280 405 3HD1 LEU 59 3HD1 LEU 59 -1.749 -15.647 -16.124 406 1HD2 LEU 59 1HD2 LEU 59 -2.451 -19.301 -15.519 407 2HD2 LEU 59 2HD2 LEU 59 -1.310 -19.162 -16.878 408 3HD2 LEU 59 3HD2 LEU 59 -0.732 -19.700 -15.283 409 H ASP 60 H ASP 60 0.373 -14.779 -18.670 410 HA ASP 60 HA ASP 60 3.169 -14.211 -18.148 411 1HB ASP 60 1HB ASP 60 2.518 -15.229 -20.546 412 2HB ASP 60 2HB ASP 60 2.006 -13.584 -20.866 413 H LEU 61 H LEU 61 2.999 -11.868 -20.058 414 HA LEU 61 HA LEU 61 1.470 -10.125 -18.312 415 1HB LEU 61 1HB LEU 61 3.452 -9.562 -20.521 416 2HB LEU 61 2HB LEU 61 2.641 -8.332 -19.571 417 HG LEU 61 HG LEU 61 4.390 -10.469 -18.334 418 1HD1 LEU 61 1HD1 LEU 61 6.212 -9.457 -19.085 419 2HD1 LEU 61 2HD1 LEU 61 5.213 -8.292 -19.987 420 3HD1 LEU 61 3HD1 LEU 61 5.693 -7.941 -18.310 421 1HD2 LEU 61 1HD2 LEU 61 4.530 -8.741 -16.492 422 2HD2 LEU 61 2HD2 LEU 61 3.210 -7.879 -17.317 423 3HD2 LEU 61 3HD2 LEU 61 2.949 -9.530 -16.707 424 H SER 62 H SER 62 1.654 -11.199 -21.745 425 HA SER 62 HA SER 62 -0.591 -9.548 -22.395 426 1HB SER 62 1HB SER 62 -0.318 -10.506 -24.670 427 2HB SER 62 2HB SER 62 1.191 -9.863 -24.053 428 HG SER 62 HG SER 62 0.561 -12.452 -24.794 429 H LEU 63 H LEU 63 -1.175 -11.374 -20.286 430 HA LEU 63 HA LEU 63 -3.253 -12.927 -21.591 431 1HB LEU 63 1HB LEU 63 -1.323 -14.177 -19.632 432 2HB LEU 63 2HB LEU 63 -2.723 -14.945 -20.355 433 HG LEU 63 HG LEU 63 -0.393 -13.915 -21.987 434 1HD1 LEU 63 1HD1 LEU 63 0.341 -16.305 -22.096 435 2HD1 LEU 63 2HD1 LEU 63 0.542 -15.539 -20.501 436 3HD1 LEU 63 3HD1 LEU 63 -0.809 -16.662 -20.785 437 1HD2 LEU 63 1HD2 LEU 63 -2.967 -15.096 -22.617 438 2HD2 LEU 63 2HD2 LEU 63 -1.762 -14.338 -23.686 439 3HD2 LEU 63 3HD2 LEU 63 -1.624 -16.064 -23.273 440 H GLN 64 H GLN 64 -5.043 -12.035 -20.712 441 HA GLN 64 HA GLN 64 -4.861 -11.133 -17.973 442 1HB GLN 64 1HB GLN 64 -7.097 -10.782 -20.018 443 2HB GLN 64 2HB GLN 64 -7.031 -10.016 -18.444 444 1HG GLN 64 1HG GLN 64 -6.104 -8.308 -19.710 445 2HG GLN 64 2HG GLN 64 -4.635 -9.180 -19.317 446 1HE2 GLN 64 2HE2 GLN 64 -5.675 -7.515 -21.655 447 2HE2 GLN 64 1HE2 GLN 64 -5.281 -8.433 -23.070 448 H TRP 65 H TRP 65 -6.659 -11.662 -16.426 449 HA TRP 65 HA TRP 65 -7.065 -14.431 -16.308 450 1HB TRP 65 1HB TRP 65 -6.948 -13.186 -14.298 451 2HB TRP 65 2HB TRP 65 -8.229 -12.098 -14.797 452 HD1 TRP 65 HD1 TRP 65 -10.552 -14.076 -15.550 453 HE1 TRP 65 HE1 TRP 65 -11.770 -15.639 -13.807 454 HE3 TRP 65 HE3 TRP 65 -6.790 -14.074 -12.129 455 HZ2 TRP 65 HZ2 TRP 65 -11.040 -16.676 -11.251 456 HZ3 TRP 65 HZ3 TRP 65 -7.123 -15.387 -10.036 457 HH2 TRP 65 HH2 TRP 65 -9.159 -16.658 -9.571 458 H ARG 66 H ARG 66 -9.094 -11.637 -17.362 459 HA ARG 66 HA ARG 66 -11.445 -12.988 -17.656 460 1HB ARG 66 1HB ARG 66 -12.075 -11.168 -19.226 461 2HB ARG 66 2HB ARG 66 -11.211 -10.519 -17.847 462 1HG ARG 66 1HG ARG 66 -9.138 -10.345 -19.130 463 2HG ARG 66 2HG ARG 66 -9.831 -11.229 -20.474 464 1HD ARG 66 1HD ARG 66 -11.115 -8.646 -19.515 465 2HD ARG 66 2HD ARG 66 -9.736 -8.601 -20.596 466 HE ARG 66 HE ARG 66 -11.050 -9.603 -22.323 467 1HH1 ARG 66 2HH2 ARG 66 -12.857 -9.294 -19.320 468 2HH1 ARG 66 1HH2 ARG 66 -14.394 -9.577 -20.066 469 1HH2 ARG 66 2HH1 ARG 66 -13.078 -9.975 -23.309 470 2HH2 ARG 66 1HH1 ARG 66 -14.521 -9.966 -22.351 471 H PHE 67 H PHE 67 -8.471 -13.377 -19.368 472 HA PHE 67 HA PHE 67 -9.873 -14.654 -21.608 473 1HB PHE 67 1HB PHE 67 -7.176 -13.284 -21.168 474 2HB PHE 67 2HB PHE 67 -7.338 -14.432 -22.483 475 HD1 PHE 67 HD1 PHE 67 -7.154 -11.138 -21.996 476 HD2 PHE 67 HD2 PHE 67 -9.888 -13.922 -23.663 477 HE1 PHE 67 HE1 PHE 67 -8.103 -9.331 -23.457 478 HE2 PHE 67 HE2 PHE 67 -10.838 -12.116 -25.124 479 HZ PHE 67 HZ PHE 67 -9.934 -9.842 -25.003 480 H ALA 68 H ALA 68 -6.768 -14.941 -19.723 481 HA ALA 68 HA ALA 68 -6.301 -17.588 -20.391 482 1HB ALA 68 1HB ALA 68 -5.530 -15.968 -17.931 483 2HB ALA 68 2HB ALA 68 -4.815 -17.536 -18.375 484 3HB ALA 68 3HB ALA 68 -4.601 -16.126 -19.440 485 H ASN 69 H ASN 69 -8.743 -16.173 -18.374 486 HA ASN 69 HA ASN 69 -10.122 -16.969 -16.877 487 1HB ASN 69 1HB ASN 69 -11.235 -19.151 -17.538 488 2HB ASN 69 2HB ASN 69 -11.091 -18.020 -18.869 489 1HD2 ASN 69 2HD2 ASN 69 -9.429 -18.295 -20.422 490 2HD2 ASN 69 1HD2 ASN 69 -8.736 -19.849 -20.744 491 H LEU 70 H LEU 70 -8.846 -17.178 -14.940 492 HA LEU 70 HA LEU 70 -7.549 -19.776 -14.548 493 1HB LEU 70 1HB LEU 70 -7.161 -17.368 -12.802 494 2HB LEU 70 2HB LEU 70 -6.115 -18.756 -13.022 495 HG LEU 70 HG LEU 70 -6.622 -16.942 -15.357 496 1HD1 LEU 70 1HD1 LEU 70 -5.266 -15.245 -14.675 497 2HD1 LEU 70 2HD1 LEU 70 -5.953 -15.708 -13.099 498 3HD1 LEU 70 3HD1 LEU 70 -4.333 -16.278 -13.565 499 1HD2 LEU 70 1HD2 LEU 70 -4.022 -18.240 -14.578 500 2HD2 LEU 70 2HD2 LEU 70 -5.311 -19.177 -15.370 501 3HD2 LEU 70 3HD2 LEU 70 -4.614 -17.758 -16.186 502 HA PRO 71 HA PRO 71 -10.415 -20.823 -11.498 503 1HB PRO 71 1HB PRO 71 -8.938 -22.214 -9.667 504 2HB PRO 71 2HB PRO 71 -9.482 -22.904 -11.183 505 1HG PRO 71 1HG PRO 71 -6.773 -21.993 -10.428 506 2HG PRO 71 2HG PRO 71 -7.248 -23.053 -11.740 507 1HD PRO 71 1HD PRO 71 -6.500 -20.292 -11.949 508 2HD PRO 71 2HD PRO 71 -7.086 -21.320 -13.242 509 H ASN 72 H ASN 72 -11.044 -20.819 -9.094 510 HA ASN 72 HA ASN 72 -11.184 -18.307 -8.269 511 1HB ASN 72 1HB ASN 72 -11.047 -19.498 -5.823 512 2HB ASN 72 2HB ASN 72 -12.433 -19.687 -6.879 513 1HD2 ASN 72 2HD2 ASN 72 -12.657 -21.552 -8.151 514 2HD2 ASN 72 1HD2 ASN 72 -11.864 -23.041 -7.757 515 H ASN 73 H ASN 73 -9.077 -20.530 -6.331 516 HA ASN 73 HA ASN 73 -7.474 -18.494 -5.405 517 1HB ASN 73 1HB ASN 73 -7.779 -20.939 -4.534 518 2HB ASN 73 2HB ASN 73 -6.571 -21.395 -5.718 519 1HD2 ASN 73 2HD2 ASN 73 -6.343 -21.670 -2.920 520 2HD2 ASN 73 1HD2 ASN 73 -5.026 -20.696 -2.357 521 H ALA 74 H ALA 74 -7.749 -19.646 -8.541 522 HA ALA 74 HA ALA 74 -6.223 -20.087 -10.207 523 1HB ALA 74 1HB ALA 74 -7.012 -17.474 -9.740 524 2HB ALA 74 2HB ALA 74 -5.249 -17.320 -9.928 525 3HB ALA 74 3HB ALA 74 -6.220 -18.064 -11.221 526 H LYS 75 H LYS 75 -4.681 -21.589 -9.395 527 HA LYS 75 HA LYS 75 -2.354 -20.440 -8.072 528 1HB LYS 75 1HB LYS 75 -1.761 -22.731 -7.549 529 2HB LYS 75 2HB LYS 75 -3.416 -22.414 -7.069 530 1HG LYS 75 1HG LYS 75 -4.126 -24.135 -8.358 531 2HG LYS 75 2HG LYS 75 -3.517 -23.322 -9.786 532 1HD LYS 75 1HD LYS 75 -1.173 -24.265 -9.063 533 2HD LYS 75 2HD LYS 75 -2.086 -25.341 -8.023 534 1HE LYS 75 1HE LYS 75 -2.764 -25.080 -10.977 535 2HE LYS 75 2HE LYS 75 -1.493 -26.159 -10.439 536 1HZ LYS 75 1HZ LYS 75 -3.847 -27.047 -10.610 537 2HZ LYS 75 2HZ LYS 75 -2.992 -27.434 -9.273 538 3HZ LYS 75 3HZ LYS 75 -4.136 -26.270 -9.203 539 H LEU 76 H LEU 76 -0.687 -19.736 -9.282 540 HA LEU 76 HA LEU 76 -0.325 -21.027 -11.895 541 1HB LEU 76 1HB LEU 76 0.859 -18.366 -11.325 542 2HB LEU 76 2HB LEU 76 0.246 -19.035 -12.824 543 HG LEU 76 HG LEU 76 -1.305 -17.400 -12.392 544 1HD1 LEU 76 1HD1 LEU 76 -2.993 -19.095 -10.759 545 2HD1 LEU 76 2HD1 LEU 76 -3.157 -18.622 -12.468 546 3HD1 LEU 76 3HD1 LEU 76 -2.168 -20.034 -12.026 547 1HD2 LEU 76 1HD2 LEU 76 -1.624 -16.352 -10.437 548 2HD2 LEU 76 2HD2 LEU 76 -1.884 -17.871 -9.546 549 3HD2 LEU 76 3HD2 LEU 76 -0.229 -17.308 -9.883 550 H GLU 77 H GLU 77 1.856 -21.502 -12.578 551 HA GLU 77 HA GLU 77 3.558 -21.939 -10.265 552 1HB GLU 77 1HB GLU 77 4.374 -23.838 -11.318 553 2HB GLU 77 2HB GLU 77 2.762 -23.786 -12.003 554 1HG GLU 77 1HG GLU 77 3.763 -22.413 -13.944 555 2HG GLU 77 2HG GLU 77 5.344 -22.806 -13.297 556 H MET 78 H MET 78 5.587 -20.992 -10.090 557 HA MET 78 HA MET 78 6.147 -18.980 -12.073 558 1HB MET 78 1HB MET 78 6.364 -19.120 -9.286 559 2HB MET 78 2HB MET 78 8.027 -19.361 -9.784 560 1HG MET 78 1HG MET 78 7.354 -17.263 -11.418 561 2HG MET 78 2HG MET 78 6.295 -16.933 -10.062 562 1HE MET 78 1HE MET 78 9.829 -15.632 -11.099 563 2HE MET 78 2HE MET 78 10.783 -16.939 -10.359 564 3HE MET 78 3HE MET 78 9.526 -17.324 -11.559 565 H VAL 79 H VAL 79 7.749 -19.121 -13.607 566 HA VAL 79 HA VAL 79 9.867 -21.080 -13.176 567 HB VAL 79 HB VAL 79 9.554 -22.157 -15.226 568 1HG1 VAL 79 1HG1 VAL 79 7.681 -22.362 -13.273 569 2HG1 VAL 79 2HG1 VAL 79 6.649 -21.953 -14.664 570 3HG1 VAL 79 3HG1 VAL 79 7.711 -23.379 -14.733 571 1HG2 VAL 79 1HG2 VAL 79 7.621 -19.928 -15.907 572 2HG2 VAL 79 2HG2 VAL 79 9.134 -20.372 -16.733 573 3HG2 VAL 79 3HG2 VAL 79 7.717 -21.443 -16.836 574 HA PRO 80 HA PRO 80 12.115 -17.704 -14.704 575 1HB PRO 80 1HB PRO 80 14.573 -18.879 -14.919 576 2HB PRO 80 2HB PRO 80 13.939 -18.252 -13.410 577 1HG PRO 80 1HG PRO 80 14.193 -21.064 -14.289 578 2HG PRO 80 2HG PRO 80 13.972 -20.436 -12.668 579 1HD PRO 80 1HD PRO 80 11.973 -21.660 -14.322 580 2HD PRO 80 2HD PRO 80 11.728 -20.928 -12.749 581 H VAL 81 H VAL 81 12.349 -16.678 -16.606 582 HA VAL 81 HA VAL 81 13.562 -17.545 -18.799 583 HB VAL 81 HB VAL 81 12.098 -19.588 -18.570 584 1HG1 VAL 81 1HG1 VAL 81 9.844 -19.526 -18.742 585 2HG1 VAL 81 2HG1 VAL 81 10.043 -17.833 -18.228 586 3HG1 VAL 81 3HG1 VAL 81 9.866 -18.224 -19.956 587 1HG2 VAL 81 1HG2 VAL 81 12.895 -18.105 -20.883 588 2HG2 VAL 81 2HG2 VAL 81 12.710 -19.865 -20.694 589 3HG2 VAL 81 3HG2 VAL 81 11.328 -18.876 -21.224 590 H SER 82 H SER 82 11.334 -16.993 -20.769 591 HA SER 82 HA SER 82 10.729 -14.269 -19.945 592 1HB SER 82 1HB SER 82 11.376 -13.386 -22.096 593 2HB SER 82 2HB SER 82 12.720 -14.341 -21.502 594 HG SER 82 HG SER 82 11.041 -15.966 -22.930 595 H ARG 83 H ARG 83 9.060 -13.299 -21.698 596 HA ARG 83 HA ARG 83 6.756 -14.639 -21.439 597 1HB ARG 83 1HB ARG 83 7.656 -12.730 -23.647 598 2HB ARG 83 2HB ARG 83 5.994 -13.265 -23.499 599 1HG ARG 83 1HG ARG 83 5.598 -11.985 -21.621 600 2HG ARG 83 2HG ARG 83 7.201 -12.257 -20.965 601 1HD ARG 83 1HD ARG 83 7.323 -9.982 -21.532 602 2HD ARG 83 2HD ARG 83 8.012 -10.722 -22.963 603 HE ARG 83 HE ARG 83 5.103 -10.400 -23.118 604 1HH1 ARG 83 2HH2 ARG 83 8.210 -8.848 -23.681 605 2HH1 ARG 83 1HH2 ARG 83 7.586 -7.732 -24.849 606 1HH2 ARG 83 2HH1 ARG 83 4.278 -8.928 -24.660 607 2HH2 ARG 83 1HH1 ARG 83 5.334 -7.779 -25.410 608 H SER 84 H SER 84 6.060 -16.611 -22.200 609 HA SER 84 HA SER 84 7.458 -17.759 -24.420 610 1HB SER 84 1HB SER 84 6.057 -19.781 -23.881 611 2HB SER 84 2HB SER 84 7.013 -19.206 -22.529 612 HG SER 84 HG SER 84 4.480 -18.020 -22.659 613 H ARG 85 H ARG 85 6.718 -17.768 -26.522 614 HA ARG 85 HA ARG 85 3.883 -17.544 -26.938 615 1HB ARG 85 1HB ARG 85 5.864 -15.394 -27.565 616 2HB ARG 85 2HB ARG 85 4.763 -15.775 -28.874 617 1HG ARG 85 1HG ARG 85 3.660 -15.380 -26.080 618 2HG ARG 85 2HG ARG 85 4.089 -13.976 -27.037 619 1HD ARG 85 1HD ARG 85 2.656 -15.428 -28.894 620 2HD ARG 85 2HD ARG 85 1.850 -15.916 -27.417 621 HE ARG 85 HE ARG 85 0.979 -13.751 -27.195 622 1HH1 ARG 85 2HH2 ARG 85 3.623 -13.707 -29.517 623 2HH1 ARG 85 1HH2 ARG 85 3.334 -12.072 -30.008 624 1HH2 ARG 85 2HH1 ARG 85 0.597 -11.593 -27.843 625 2HH2 ARG 85 1HH1 ARG 85 1.601 -10.861 -29.050 Start of MODEL 6 1 H SER 10 H SER 10 -11.869 -12.417 -6.918 2 HA SER 10 HA SER 10 -11.503 -15.289 -7.054 3 1HB SER 10 1HB SER 10 -10.680 -12.958 -8.789 4 2HB SER 10 2HB SER 10 -9.753 -14.442 -8.878 5 HG SER 10 HG SER 10 -12.026 -15.477 -9.123 6 H ALA 11 H ALA 11 -9.061 -15.991 -7.179 7 HA ALA 11 HA ALA 11 -7.330 -14.294 -5.585 8 1HB ALA 11 1HB ALA 11 -8.729 -16.697 -4.583 9 2HB ALA 11 2HB ALA 11 -6.966 -16.726 -4.337 10 3HB ALA 11 3HB ALA 11 -7.933 -15.380 -3.688 11 H VAL 12 H VAL 12 -5.146 -14.631 -6.061 12 HA VAL 12 HA VAL 12 -4.646 -16.759 -8.027 13 HB VAL 12 HB VAL 12 -3.147 -14.155 -7.904 14 1HG1 VAL 12 1HG1 VAL 12 -2.954 -14.751 -10.416 15 2HG1 VAL 12 2HG1 VAL 12 -2.003 -15.696 -9.245 16 3HG1 VAL 12 3HG1 VAL 12 -3.504 -16.371 -9.922 17 1HG2 VAL 12 1HG2 VAL 12 -4.943 -13.013 -8.576 18 2HG2 VAL 12 2HG2 VAL 12 -4.955 -14.000 -10.058 19 3HG2 VAL 12 3HG2 VAL 12 -5.924 -14.497 -8.649 20 H SER 13 H SER 13 -2.722 -17.959 -7.796 21 HA SER 13 HA SER 13 -1.153 -17.283 -5.444 22 1HB SER 13 1HB SER 13 -2.720 -19.055 -4.765 23 2HB SER 13 2HB SER 13 -2.260 -20.039 -6.141 24 HG SER 13 HG SER 13 -1.032 -19.792 -3.680 25 H VAL 14 H VAL 14 1.073 -17.515 -5.756 26 HA VAL 14 HA VAL 14 1.868 -18.782 -8.287 27 HB VAL 14 HB VAL 14 3.535 -16.639 -7.088 28 1HG1 VAL 14 1HG1 VAL 14 3.762 -16.051 -9.533 29 2HG1 VAL 14 2HG1 VAL 14 4.333 -17.678 -9.089 30 3HG1 VAL 14 3HG1 VAL 14 2.760 -17.476 -9.897 31 1HG2 VAL 14 1HG2 VAL 14 0.871 -16.102 -8.434 32 2HG2 VAL 14 2HG2 VAL 14 1.402 -15.579 -6.817 33 3HG2 VAL 14 3HG2 VAL 14 2.163 -14.889 -8.271 34 H LEU 15 H LEU 15 3.011 -20.611 -7.955 35 HA LEU 15 HA LEU 15 4.391 -20.860 -5.384 36 1HB LEU 15 1HB LEU 15 4.077 -23.136 -5.494 37 2HB LEU 15 2HB LEU 15 2.578 -22.491 -6.131 38 HG LEU 15 HG LEU 15 3.954 -22.817 -8.445 39 1HD1 LEU 15 1HD1 LEU 15 5.811 -23.855 -6.921 40 2HD1 LEU 15 2HD1 LEU 15 4.765 -25.294 -6.962 41 3HD1 LEU 15 3HD1 LEU 15 5.398 -24.611 -8.479 42 1HD2 LEU 15 1HD2 LEU 15 2.285 -24.227 -8.923 43 2HD2 LEU 15 2HD2 LEU 15 2.683 -25.316 -7.572 44 3HD2 LEU 15 3HD2 LEU 15 1.702 -23.860 -7.282 45 H ALA 16 H ALA 16 6.484 -20.244 -5.469 46 HA ALA 16 HA ALA 16 7.891 -20.373 -7.982 47 1HB ALA 16 1HB ALA 16 9.261 -19.681 -5.417 48 2HB ALA 16 2HB ALA 16 9.338 -18.882 -7.006 49 3HB ALA 16 3HB ALA 16 7.938 -18.612 -5.940 50 HA PRO 17 HA PRO 17 9.553 -24.292 -7.094 51 1HB PRO 17 1HB PRO 17 11.237 -24.502 -9.236 52 2HB PRO 17 2HB PRO 17 9.529 -24.884 -9.319 53 1HG PRO 17 1HG PRO 17 10.950 -22.508 -10.356 54 2HG PRO 17 2HG PRO 17 9.361 -23.111 -10.785 55 1HD PRO 17 1HD PRO 17 9.946 -20.874 -9.088 56 2HD PRO 17 2HD PRO 17 8.365 -21.549 -9.424 57 H ASN 18 H ASN 18 11.139 -21.385 -6.911 58 HA ASN 18 HA ASN 18 13.701 -22.482 -6.399 59 1HB ASN 18 1HB ASN 18 14.325 -20.173 -5.836 60 2HB ASN 18 2HB ASN 18 13.306 -20.135 -7.261 61 1HD2 ASN 18 2HD2 ASN 18 13.284 -17.850 -6.304 62 2HD2 ASN 18 1HD2 ASN 18 11.952 -17.452 -5.271 63 H GLY 19 H GLY 19 10.875 -22.807 -4.759 64 1HA GLY 19 1HA GLY 19 10.685 -23.732 -2.639 65 2HA GLY 19 2HA GLY 19 12.211 -23.013 -2.165 66 H ARG 20 H ARG 20 10.108 -20.879 -3.949 67 HA ARG 20 HA ARG 20 9.383 -19.638 -1.418 68 1HB ARG 20 1HB ARG 20 9.993 -18.423 -4.152 69 2HB ARG 20 2HB ARG 20 9.217 -17.500 -2.880 70 1HG ARG 20 1HG ARG 20 11.202 -18.179 -1.365 71 2HG ARG 20 2HG ARG 20 11.989 -18.766 -2.816 72 1HD ARG 20 1HD ARG 20 12.665 -16.658 -3.314 73 2HD ARG 20 2HD ARG 20 10.995 -16.138 -3.419 74 HE ARG 20 HE ARG 20 12.788 -15.835 -1.093 75 1HH1 ARG 20 2HH2 ARG 20 9.490 -15.663 -2.308 76 2HH1 ARG 20 1HH2 ARG 20 8.933 -14.648 -1.020 77 1HH2 ARG 20 2HH1 ARG 20 12.053 -14.496 0.607 78 2HH2 ARG 20 1HH1 ARG 20 10.400 -13.980 0.649 79 H ARG 21 H ARG 21 7.214 -19.863 -0.969 80 HA ARG 21 HA ARG 21 5.451 -20.073 -3.273 81 1HB ARG 21 1HB ARG 21 5.721 -21.736 -1.007 82 2HB ARG 21 2HB ARG 21 4.274 -20.807 -0.666 83 1HG ARG 21 1HG ARG 21 3.081 -22.032 -2.154 84 2HG ARG 21 2HG ARG 21 4.192 -21.614 -3.443 85 1HD ARG 21 1HD ARG 21 4.604 -23.887 -1.438 86 2HD ARG 21 2HD ARG 21 4.059 -24.088 -3.092 87 HE ARG 21 HE ARG 21 6.586 -22.616 -2.877 88 1HH1 ARG 21 2HH2 ARG 21 5.112 -25.803 -3.108 89 2HH1 ARG 21 1HH2 ARG 21 6.537 -26.557 -3.742 90 1HH2 ARG 21 2HH1 ARG 21 8.466 -23.610 -3.713 91 2HH2 ARG 21 1HH1 ARG 21 8.457 -25.301 -4.088 92 H HIS 22 H HIS 22 4.248 -18.243 -3.668 93 HA HIS 22 HA HIS 22 3.269 -16.771 -1.355 94 1HB HIS 22 1HB HIS 22 3.935 -14.651 -2.220 95 2HB HIS 22 2HB HIS 22 5.355 -15.674 -2.142 96 HD1 HIS 22 HD1 HIS 22 5.732 -17.030 -4.653 97 HD2 HIS 22 HD2 HIS 22 3.826 -13.294 -4.575 98 HE1 HIS 22 HE1 HIS 22 5.926 -16.079 -7.013 99 H THR 23 H THR 23 1.182 -15.954 -1.618 100 HA THR 23 HA THR 23 -0.027 -16.479 -4.255 101 HB THR 23 HB THR 23 -0.775 -18.140 -2.593 102 HG1 THR 23 HG1 THR 23 -2.678 -15.919 -2.806 103 1HG2 THR 23 1HG2 THR 23 -1.829 -17.522 -0.509 104 2HG2 THR 23 2HG2 THR 23 -0.303 -16.607 -0.550 105 3HG2 THR 23 3HG2 THR 23 -1.837 -15.797 -0.946 106 H VAL 24 H VAL 24 -1.145 -14.869 -5.226 107 HA VAL 24 HA VAL 24 -1.511 -12.439 -3.614 108 HB VAL 24 HB VAL 24 -0.628 -12.774 -6.482 109 1HG1 VAL 24 1HG1 VAL 24 -2.382 -10.943 -6.079 110 2HG1 VAL 24 2HG1 VAL 24 -1.125 -10.117 -5.127 111 3HG1 VAL 24 3HG1 VAL 24 -0.855 -10.458 -6.853 112 1HG2 VAL 24 1HG2 VAL 24 0.681 -11.936 -3.930 113 2HG2 VAL 24 2HG2 VAL 24 1.329 -12.870 -5.300 114 3HG2 VAL 24 3HG2 VAL 24 1.165 -11.102 -5.426 115 H LYS 25 H LYS 25 -3.551 -11.578 -3.585 116 HA LYS 25 HA LYS 25 -5.545 -13.041 -5.129 117 1HB LYS 25 1HB LYS 25 -7.155 -12.039 -3.565 118 2HB LYS 25 2HB LYS 25 -5.908 -12.949 -2.736 119 1HG LYS 25 1HG LYS 25 -5.043 -10.184 -3.081 120 2HG LYS 25 2HG LYS 25 -6.624 -10.218 -2.327 121 1HD LYS 25 1HD LYS 25 -5.440 -12.186 -0.874 122 2HD LYS 25 2HD LYS 25 -4.005 -11.274 -1.300 123 1HE LYS 25 1HE LYS 25 -4.748 -9.318 -0.180 124 2HE LYS 25 2HE LYS 25 -6.430 -9.806 -0.227 125 1HZ LYS 25 1HZ LYS 25 -5.971 -10.404 1.862 126 2HZ LYS 25 2HZ LYS 25 -5.394 -11.773 1.184 127 3HZ LYS 25 3HZ LYS 25 -4.366 -10.581 1.616 128 H VAL 26 H VAL 26 -6.038 -12.241 -7.096 129 HA VAL 26 HA VAL 26 -6.180 -9.315 -7.315 130 HB VAL 26 HB VAL 26 -5.044 -9.304 -9.292 131 1HG1 VAL 26 1HG1 VAL 26 -3.080 -10.923 -9.112 132 2HG1 VAL 26 2HG1 VAL 26 -3.387 -9.884 -7.700 133 3HG1 VAL 26 3HG1 VAL 26 -3.893 -11.590 -7.676 134 1HG2 VAL 26 1HG2 VAL 26 -4.646 -11.782 -10.385 135 2HG2 VAL 26 2HG2 VAL 26 -6.271 -11.961 -9.681 136 3HG2 VAL 26 3HG2 VAL 26 -5.946 -10.660 -10.852 137 H THR 27 H THR 27 -7.588 -8.694 -9.312 138 HA THR 27 HA THR 27 -10.072 -10.141 -9.006 139 HB THR 27 HB THR 27 -10.004 -7.945 -10.962 140 HG1 THR 27 HG1 THR 27 -9.126 -7.505 -8.201 141 1HG2 THR 27 1HG2 THR 27 -11.120 -7.222 -8.385 142 2HG2 THR 27 2HG2 THR 27 -11.987 -7.540 -9.906 143 3HG2 THR 27 3HG2 THR 27 -11.639 -8.877 -8.784 144 HA PRO 28 HA PRO 28 -9.839 -12.424 -12.629 145 1HB PRO 28 1HB PRO 28 -12.480 -12.762 -13.245 146 2HB PRO 28 2HB PRO 28 -11.652 -13.708 -12.024 147 1HG PRO 28 1HG PRO 28 -13.577 -11.494 -11.663 148 2HG PRO 28 2HG PRO 28 -13.074 -12.710 -10.507 149 1HD PRO 28 1HD PRO 28 -12.222 -9.973 -10.599 150 2HD PRO 28 2HD PRO 28 -11.633 -11.218 -9.516 151 H SER 29 H SER 29 -11.076 -9.299 -12.635 152 HA SER 29 HA SER 29 -11.196 -9.343 -15.535 153 1HB SER 29 1HB SER 29 -12.222 -7.055 -15.260 154 2HB SER 29 2HB SER 29 -13.145 -8.342 -14.511 155 HG SER 29 HG SER 29 -12.362 -6.133 -13.328 156 H THR 30 H THR 30 -8.958 -8.903 -13.097 157 HA THR 30 HA THR 30 -7.652 -6.577 -14.260 158 HB THR 30 HB THR 30 -7.308 -8.319 -11.788 159 HG1 THR 30 HG1 THR 30 -7.596 -6.097 -10.932 160 1HG2 THR 30 1HG2 THR 30 -5.549 -6.001 -11.844 161 2HG2 THR 30 2HG2 THR 30 -5.125 -7.701 -11.530 162 3HG2 THR 30 3HG2 THR 30 -5.140 -7.081 -13.199 163 H VAL 31 H VAL 31 -5.747 -6.567 -15.405 164 HA VAL 31 HA VAL 31 -5.159 -9.026 -16.747 165 HB VAL 31 HB VAL 31 -3.705 -6.384 -16.901 166 1HG1 VAL 31 1HG1 VAL 31 -3.668 -8.916 -18.431 167 2HG1 VAL 31 2HG1 VAL 31 -3.733 -7.435 -19.416 168 3HG1 VAL 31 3HG1 VAL 31 -2.415 -7.665 -18.242 169 1HG2 VAL 31 1HG2 VAL 31 -5.616 -5.464 -17.617 170 2HG2 VAL 31 2HG2 VAL 31 -5.470 -6.503 -19.055 171 3HG2 VAL 31 3HG2 VAL 31 -6.444 -7.039 -17.665 172 H LEU 32 H LEU 32 -3.485 -10.436 -16.383 173 HA LEU 32 HA LEU 32 -2.241 -10.439 -13.904 174 1HB LEU 32 1HB LEU 32 -1.672 -11.873 -16.491 175 2HB LEU 32 2HB LEU 32 -0.736 -12.158 -15.037 176 HG LEU 32 HG LEU 32 -3.641 -12.351 -14.614 177 1HD1 LEU 32 1HD1 LEU 32 -3.772 -13.238 -16.800 178 2HD1 LEU 32 2HD1 LEU 32 -2.271 -14.172 -16.598 179 3HD1 LEU 32 3HD1 LEU 32 -3.736 -14.639 -15.702 180 1HD2 LEU 32 1HD2 LEU 32 -2.328 -13.071 -12.834 181 2HD2 LEU 32 2HD2 LEU 32 -2.810 -14.590 -13.627 182 3HD2 LEU 32 3HD2 LEU 32 -1.180 -13.927 -13.892 183 H LEU 33 H LEU 33 -1.539 -8.655 -16.817 184 HA LEU 33 HA LEU 33 1.224 -8.353 -16.491 185 1HB LEU 33 1HB LEU 33 1.086 -6.751 -18.151 186 2HB LEU 33 2HB LEU 33 -0.228 -7.854 -18.507 187 HG LEU 33 HG LEU 33 -1.690 -6.144 -17.164 188 1HD1 LEU 33 1HD1 LEU 33 -0.584 -3.787 -17.890 189 2HD1 LEU 33 2HD1 LEU 33 -0.418 -4.512 -16.272 190 3HD1 LEU 33 3HD1 LEU 33 0.880 -4.710 -17.474 191 1HD2 LEU 33 1HD2 LEU 33 -2.533 -5.613 -19.163 192 2HD2 LEU 33 2HD2 LEU 33 -1.011 -4.872 -19.713 193 3HD2 LEU 33 3HD2 LEU 33 -1.240 -6.633 -19.837 194 H GLN 34 H GLN 34 -1.606 -6.497 -15.234 195 HA GLN 34 HA GLN 34 -0.017 -4.544 -14.019 196 1HB GLN 34 1HB GLN 34 -2.034 -3.688 -13.162 197 2HB GLN 34 2HB GLN 34 -2.554 -4.517 -14.615 198 1HG GLN 34 1HG GLN 34 -4.092 -5.393 -13.109 199 2HG GLN 34 2HG GLN 34 -2.829 -6.598 -12.960 200 1HE2 GLN 34 2HE2 GLN 34 -4.438 -3.891 -11.502 201 2HE2 GLN 34 1HE2 GLN 34 -3.778 -4.027 -9.906 202 H VAL 35 H VAL 35 -1.407 -7.676 -12.926 203 HA VAL 35 HA VAL 35 -0.627 -7.309 -10.218 204 HB VAL 35 HB VAL 35 -1.647 -9.300 -9.855 205 1HG1 VAL 35 1HG1 VAL 35 -2.808 -8.976 -12.617 206 2HG1 VAL 35 2HG1 VAL 35 -3.621 -9.400 -11.092 207 3HG1 VAL 35 3HG1 VAL 35 -3.065 -7.732 -11.370 208 1HG2 VAL 35 1HG2 VAL 35 0.041 -10.640 -11.062 209 2HG2 VAL 35 2HG2 VAL 35 -1.612 -11.242 -11.334 210 3HG2 VAL 35 3HG2 VAL 35 -0.792 -10.292 -12.596 211 H LEU 36 H LEU 36 0.708 -9.120 -13.057 212 HA LEU 36 HA LEU 36 2.869 -10.228 -11.704 213 1HB LEU 36 1HB LEU 36 1.965 -10.868 -13.938 214 2HB LEU 36 2HB LEU 36 2.703 -9.429 -14.612 215 HG LEU 36 HG LEU 36 4.354 -11.482 -13.144 216 1HD1 LEU 36 1HD1 LEU 36 4.849 -12.560 -15.288 217 2HD1 LEU 36 2HD1 LEU 36 3.126 -12.701 -14.863 218 3HD1 LEU 36 3HD1 LEU 36 3.647 -11.522 -16.091 219 1HD2 LEU 36 1HD2 LEU 36 5.300 -9.223 -13.613 220 2HD2 LEU 36 2HD2 LEU 36 6.195 -10.561 -14.374 221 3HD2 LEU 36 3HD2 LEU 36 5.104 -9.550 -15.352 222 H GLU 37 H GLU 37 2.498 -7.086 -13.448 223 HA GLU 37 HA GLU 37 5.159 -6.343 -13.110 224 1HB GLU 37 1HB GLU 37 2.642 -4.677 -13.538 225 2HB GLU 37 2HB GLU 37 4.263 -4.014 -13.601 226 1HG GLU 37 1HG GLU 37 3.806 -6.459 -15.266 227 2HG GLU 37 2HG GLU 37 2.946 -5.022 -15.783 228 H ASP 38 H ASP 38 2.216 -5.953 -11.098 229 HA ASP 38 HA ASP 38 3.193 -4.080 -9.350 230 1HB ASP 38 1HB ASP 38 1.053 -6.132 -9.386 231 2HB ASP 38 2HB ASP 38 1.615 -5.758 -7.769 232 H THR 39 H THR 39 3.128 -7.720 -9.124 233 HA THR 39 HA THR 39 4.636 -7.825 -6.733 234 HB THR 39 HB THR 39 3.081 -9.611 -7.484 235 HG1 THR 39 HG1 THR 39 4.643 -11.267 -6.992 236 1HG2 THR 39 1HG2 THR 39 4.149 -11.192 -9.294 237 2HG2 THR 39 2HG2 THR 39 3.265 -9.756 -9.864 238 3HG2 THR 39 3HG2 THR 39 5.044 -9.742 -9.810 239 H CYS 40 H CYS 40 5.493 -7.717 -10.190 240 HA CYS 40 HA CYS 40 8.151 -8.541 -9.816 241 1HB CYS 40 1HB CYS 40 6.639 -7.167 -12.018 242 2HB CYS 40 2HB CYS 40 8.389 -7.204 -12.084 243 HG CYS 40 HG CYS 40 8.591 -9.392 -12.946 244 H ARG 41 H ARG 41 6.383 -5.424 -9.656 245 HA ARG 41 HA ARG 41 8.654 -3.817 -9.628 246 1HB ARG 41 1HB ARG 41 7.092 -2.147 -9.594 247 2HB ARG 41 2HB ARG 41 5.889 -3.419 -9.669 248 1HG ARG 41 1HG ARG 41 5.747 -3.493 -7.204 249 2HG ARG 41 2HG ARG 41 7.049 -2.329 -7.062 250 1HD ARG 41 1HD ARG 41 4.830 -1.397 -8.801 251 2HD ARG 41 2HD ARG 41 4.333 -1.705 -7.149 252 HE ARG 41 HE ARG 41 6.672 -0.271 -6.820 253 1HH1 ARG 41 2HH2 ARG 41 3.728 0.294 -8.662 254 2HH1 ARG 41 1HH2 ARG 41 3.838 2.019 -8.553 255 1HH2 ARG 41 2HH1 ARG 41 6.818 2.005 -6.675 256 2HH2 ARG 41 1HH1 ARG 41 5.608 2.999 -7.415 257 H ARG 42 H ARG 42 6.546 -5.178 -7.004 258 HA ARG 42 HA ARG 42 8.124 -4.024 -4.976 259 1HB ARG 42 1HB ARG 42 6.750 -5.744 -3.535 260 2HB ARG 42 2HB ARG 42 5.888 -4.437 -4.322 261 1HG ARG 42 1HG ARG 42 6.023 -6.513 -6.262 262 2HG ARG 42 2HG ARG 42 5.652 -7.321 -4.751 263 1HD ARG 42 1HD ARG 42 4.132 -4.855 -5.718 264 2HD ARG 42 2HD ARG 42 3.627 -6.489 -6.100 265 HE ARG 42 HE ARG 42 4.081 -6.014 -3.232 266 1HH1 ARG 42 2HH2 ARG 42 1.741 -5.955 -5.859 267 2HH1 ARG 42 1HH2 ARG 42 0.368 -6.071 -4.809 268 1HH2 ARG 42 2HH1 ARG 42 2.271 -6.168 -1.847 269 2HH2 ARG 42 1HH1 ARG 42 0.672 -6.194 -2.512 270 H GLN 43 H GLN 43 7.927 -7.196 -6.642 271 HA GLN 43 HA GLN 43 9.910 -8.281 -4.852 272 1HB GLN 43 1HB GLN 43 9.262 -10.371 -5.612 273 2HB GLN 43 2HB GLN 43 7.784 -9.482 -5.922 274 1HG GLN 43 1HG GLN 43 8.952 -8.978 -8.277 275 2HG GLN 43 2HG GLN 43 9.889 -10.407 -7.885 276 1HE2 GLN 43 2HE2 GLN 43 8.536 -12.275 -6.998 277 2HE2 GLN 43 1HE2 GLN 43 7.083 -12.663 -7.856 278 H ASP 44 H ASP 44 10.048 -6.148 -7.315 279 HA ASP 44 HA ASP 44 11.419 -5.662 -8.947 280 1HB ASP 44 1HB ASP 44 13.822 -5.777 -8.359 281 2HB ASP 44 2HB ASP 44 12.863 -5.260 -6.986 282 H PHE 45 H PHE 45 10.278 -7.601 -10.158 283 HA PHE 45 HA PHE 45 12.362 -9.522 -10.915 284 1HB PHE 45 1HB PHE 45 9.553 -9.807 -9.932 285 2HB PHE 45 2HB PHE 45 9.840 -10.693 -11.417 286 HD1 PHE 45 HD1 PHE 45 12.259 -10.116 -8.659 287 HD2 PHE 45 HD2 PHE 45 9.780 -12.912 -10.671 288 HE1 PHE 45 HE1 PHE 45 13.299 -11.984 -7.344 289 HE2 PHE 45 HE2 PHE 45 10.820 -14.780 -9.356 290 HZ PHE 45 HZ PHE 45 12.568 -14.294 -7.708 291 H ASN 46 H ASN 46 12.084 -10.409 -13.148 292 HA ASN 46 HA ASN 46 10.697 -8.451 -14.807 293 1HB ASN 46 1HB ASN 46 13.469 -9.390 -14.837 294 2HB ASN 46 2HB ASN 46 12.700 -9.787 -16.361 295 1HD2 ASN 46 2HD2 ASN 46 13.849 -7.304 -14.265 296 2HD2 ASN 46 1HD2 ASN 46 13.623 -5.943 -15.312 297 HA PRO 47 HA PRO 47 8.696 -12.005 -16.430 298 1HB PRO 47 1HB PRO 47 7.690 -11.007 -18.767 299 2HB PRO 47 2HB PRO 47 6.928 -10.753 -17.210 300 1HG PRO 47 1HG PRO 47 8.502 -8.850 -18.835 301 2HG PRO 47 2HG PRO 47 7.395 -8.515 -17.519 302 1HD PRO 47 1HD PRO 47 10.260 -8.481 -17.402 303 2HD PRO 47 2HD PRO 47 9.154 -8.260 -16.061 304 H SER 48 H SER 48 10.945 -10.327 -18.499 305 HA SER 48 HA SER 48 11.149 -12.392 -20.352 306 1HB SER 48 1HB SER 48 11.922 -9.975 -20.610 307 2HB SER 48 2HB SER 48 13.304 -10.369 -19.608 308 HG SER 48 HG SER 48 13.790 -12.104 -21.216 309 H GLU 49 H GLU 49 11.981 -12.304 -17.069 310 HA GLU 49 HA GLU 49 13.976 -14.386 -17.512 311 1HB GLU 49 1HB GLU 49 13.885 -12.299 -15.291 312 2HB GLU 49 2HB GLU 49 14.975 -13.670 -15.295 313 1HG GLU 49 1HG GLU 49 15.593 -12.764 -17.740 314 2HG GLU 49 2HG GLU 49 14.955 -11.257 -17.113 315 H TYR 50 H TYR 50 10.840 -13.780 -16.646 316 HA TYR 50 HA TYR 50 10.740 -16.209 -15.049 317 1HB TYR 50 1HB TYR 50 9.745 -13.389 -14.328 318 2HB TYR 50 2HB TYR 50 9.078 -14.810 -13.548 319 HD1 TYR 50 HD1 TYR 50 11.275 -16.513 -12.897 320 HD2 TYR 50 HD2 TYR 50 11.153 -12.236 -12.898 321 HE1 TYR 50 HE1 TYR 50 13.157 -16.452 -11.189 322 HE2 TYR 50 HE2 TYR 50 13.035 -12.190 -11.190 323 HH TYR 50 HH TYR 50 15.039 -14.517 -10.655 324 H ASP 51 H ASP 51 8.869 -17.406 -15.398 325 HA ASP 51 HA ASP 51 6.857 -16.082 -17.033 326 1HB ASP 51 1HB ASP 51 8.384 -18.616 -17.518 327 2HB ASP 51 2HB ASP 51 6.670 -18.680 -17.877 328 H LEU 52 H LEU 52 4.657 -16.906 -16.652 329 HA LEU 52 HA LEU 52 4.468 -18.686 -14.322 330 1HB LEU 52 1HB LEU 52 2.636 -16.372 -14.955 331 2HB LEU 52 2HB LEU 52 2.572 -17.420 -13.552 332 HG LEU 52 HG LEU 52 5.036 -16.513 -13.167 333 1HD1 LEU 52 1HD1 LEU 52 3.973 -14.773 -15.274 334 2HD1 LEU 52 2HD1 LEU 52 4.574 -13.892 -13.849 335 3HD1 LEU 52 3HD1 LEU 52 5.645 -15.020 -14.714 336 1HD2 LEU 52 1HD2 LEU 52 2.569 -14.874 -12.523 337 2HD2 LEU 52 2HD2 LEU 52 3.137 -16.299 -11.619 338 3HD2 LEU 52 3HD2 LEU 52 4.132 -14.824 -11.672 339 H LYS 53 H LYS 53 3.104 -20.427 -14.513 340 HA LYS 53 HA LYS 53 1.151 -20.423 -16.647 341 1HB LYS 53 1HB LYS 53 2.821 -21.265 -18.005 342 2HB LYS 53 2HB LYS 53 3.648 -22.078 -16.692 343 1HG LYS 53 1HG LYS 53 1.935 -23.808 -16.574 344 2HG LYS 53 2HG LYS 53 0.884 -22.927 -17.664 345 1HD LYS 53 1HD LYS 53 1.808 -24.283 -19.266 346 2HD LYS 53 2HD LYS 53 3.115 -23.116 -19.239 347 1HE LYS 53 1HE LYS 53 3.848 -24.749 -17.137 348 2HE LYS 53 2HE LYS 53 3.041 -25.905 -18.178 349 1HZ LYS 53 1HZ LYS 53 5.528 -25.287 -18.512 350 2HZ LYS 53 2HZ LYS 53 4.574 -25.623 -19.794 351 3HZ LYS 53 3HZ LYS 53 4.913 -24.072 -19.413 352 H PHE 54 H PHE 54 -0.583 -21.837 -16.234 353 HA PHE 54 HA PHE 54 -0.347 -23.348 -13.732 354 1HB PHE 54 1HB PHE 54 -1.960 -21.922 -12.887 355 2HB PHE 54 2HB PHE 54 -1.918 -21.005 -14.380 356 HD1 PHE 54 HD1 PHE 54 -3.935 -20.724 -15.441 357 HD2 PHE 54 HD2 PHE 54 -3.315 -24.265 -13.186 358 HE1 PHE 54 HE1 PHE 54 -6.276 -21.466 -15.962 359 HE2 PHE 54 HE2 PHE 54 -5.655 -25.007 -13.707 360 HZ PHE 54 HZ PHE 54 -7.108 -23.599 -15.089 361 H GLN 55 H GLN 55 -0.590 -25.478 -14.207 362 HA GLN 55 HA GLN 55 -1.307 -27.321 -15.100 363 1HB GLN 55 1HB GLN 55 -3.503 -26.667 -14.236 364 2HB GLN 55 2HB GLN 55 -3.821 -25.689 -15.654 365 1HG GLN 55 1HG GLN 55 -3.202 -28.171 -16.772 366 2HG GLN 55 2HG GLN 55 -4.043 -28.623 -15.303 367 1HE2 GLN 55 2HE2 GLN 55 -6.058 -29.070 -15.737 368 2HE2 GLN 55 1HE2 GLN 55 -7.143 -28.167 -16.742 369 H ARG 56 H ARG 56 -3.478 -26.006 -17.495 370 HA ARG 56 HA ARG 56 -1.414 -26.497 -19.484 371 1HB ARG 56 1HB ARG 56 -4.447 -26.804 -19.564 372 2HB ARG 56 2HB ARG 56 -3.495 -26.780 -21.036 373 1HG ARG 56 1HG ARG 56 -2.088 -28.677 -20.058 374 2HG ARG 56 2HG ARG 56 -3.226 -28.761 -18.728 375 1HD ARG 56 1HD ARG 56 -4.672 -28.755 -21.267 376 2HD ARG 56 2HD ARG 56 -3.454 -30.015 -21.280 377 HE ARG 56 HE ARG 56 -4.584 -31.132 -19.526 378 1HH1 ARG 56 2HH2 ARG 56 -5.998 -27.957 -20.079 379 2HH1 ARG 56 1HH2 ARG 56 -7.394 -28.267 -19.101 380 1HH2 ARG 56 2HH1 ARG 56 -6.426 -31.542 -18.236 381 2HH2 ARG 56 1HH1 ARG 56 -7.639 -30.320 -18.046 382 H THR 57 H THR 57 -2.346 -23.958 -17.866 383 HA THR 57 HA THR 57 -2.769 -22.255 -20.235 384 HB THR 57 HB THR 57 -3.878 -22.103 -17.390 385 HG1 THR 57 HG1 THR 57 -4.894 -23.363 -19.217 386 1HG2 THR 57 1HG2 THR 57 -3.670 -19.804 -17.709 387 2HG2 THR 57 2HG2 THR 57 -3.489 -19.968 -19.472 388 3HG2 THR 57 3HG2 THR 57 -5.104 -20.068 -18.731 389 H VAL 58 H VAL 58 -1.256 -20.769 -20.676 390 HA VAL 58 HA VAL 58 0.956 -20.590 -18.808 391 HB VAL 58 HB VAL 58 2.066 -19.428 -20.666 392 1HG1 VAL 58 1HG1 VAL 58 2.144 -21.902 -20.454 393 2HG1 VAL 58 2HG1 VAL 58 0.743 -22.016 -21.547 394 3HG1 VAL 58 3HG1 VAL 58 2.282 -21.347 -22.140 395 1HG2 VAL 58 1HG2 VAL 58 1.053 -19.086 -22.792 396 2HG2 VAL 58 2HG2 VAL 58 -0.397 -20.010 -22.332 397 3HG2 VAL 58 3HG2 VAL 58 -0.078 -18.426 -21.586 398 H LEU 59 H LEU 59 1.599 -18.700 -17.746 399 HA LEU 59 HA LEU 59 -0.335 -16.497 -17.947 400 1HB LEU 59 1HB LEU 59 1.044 -17.737 -15.586 401 2HB LEU 59 2HB LEU 59 0.503 -16.071 -15.531 402 HG LEU 59 HG LEU 59 -1.713 -17.508 -16.485 403 1HD1 LEU 59 1HD1 LEU 59 -0.017 -19.283 -15.007 404 2HD1 LEU 59 2HD1 LEU 59 -1.494 -18.967 -14.066 405 3HD1 LEU 59 3HD1 LEU 59 -1.615 -19.589 -15.729 406 1HD2 LEU 59 1HD2 LEU 59 -2.114 -15.672 -15.129 407 2HD2 LEU 59 2HD2 LEU 59 -2.530 -17.039 -14.068 408 3HD2 LEU 59 3HD2 LEU 59 -0.966 -16.209 -13.879 409 H ASP 60 H ASP 60 0.478 -14.667 -18.804 410 HA ASP 60 HA ASP 60 3.277 -14.122 -18.278 411 1HB ASP 60 1HB ASP 60 2.625 -15.130 -20.681 412 2HB ASP 60 2HB ASP 60 2.129 -13.480 -20.999 413 H LEU 61 H LEU 61 3.091 -11.784 -20.221 414 HA LEU 61 HA LEU 61 1.603 -10.023 -18.457 415 1HB LEU 61 1HB LEU 61 3.509 -9.445 -20.729 416 2HB LEU 61 2HB LEU 61 2.764 -8.240 -19.698 417 HG LEU 61 HG LEU 61 4.450 -10.435 -18.509 418 1HD1 LEU 61 1HD1 LEU 61 5.966 -8.013 -18.812 419 2HD1 LEU 61 2HD1 LEU 61 6.347 -9.664 -19.357 420 3HD1 LEU 61 3HD1 LEU 61 5.408 -8.575 -20.406 421 1HD2 LEU 61 1HD2 LEU 61 3.380 -7.784 -17.628 422 2HD2 LEU 61 2HD2 LEU 61 3.441 -9.341 -16.768 423 3HD2 LEU 61 3HD2 LEU 61 4.918 -8.364 -16.946 424 H SER 62 H SER 62 1.716 -11.122 -21.885 425 HA SER 62 HA SER 62 -0.545 -9.474 -22.494 426 1HB SER 62 1HB SER 62 -0.301 -10.389 -24.776 427 2HB SER 62 2HB SER 62 1.232 -9.793 -24.173 428 HG SER 62 HG SER 62 1.815 -12.004 -23.629 429 H LEU 63 H LEU 63 -1.111 -11.279 -20.382 430 HA LEU 63 HA LEU 63 -3.180 -12.865 -21.661 431 1HB LEU 63 1HB LEU 63 -1.189 -14.064 -19.730 432 2HB LEU 63 2HB LEU 63 -2.621 -14.856 -20.359 433 HG LEU 63 HG LEU 63 -0.361 -13.881 -22.121 434 1HD1 LEU 63 1HD1 LEU 63 0.463 -16.172 -22.181 435 2HD1 LEU 63 2HD1 LEU 63 0.494 -15.534 -20.520 436 3HD1 LEU 63 3HD1 LEU 63 -0.784 -16.670 -21.012 437 1HD2 LEU 63 1HD2 LEU 63 -2.969 -15.103 -22.604 438 2HD2 LEU 63 2HD2 LEU 63 -1.861 -14.273 -23.723 439 3HD2 LEU 63 3HD2 LEU 63 -1.631 -16.001 -23.360 440 H GLN 64 H GLN 64 -4.993 -12.047 -20.765 441 HA GLN 64 HA GLN 64 -4.800 -11.056 -18.059 442 1HB GLN 64 1HB GLN 64 -7.192 -10.889 -19.935 443 2HB GLN 64 2HB GLN 64 -6.897 -9.923 -18.503 444 1HG GLN 64 1HG GLN 64 -5.923 -8.388 -19.865 445 2HG GLN 64 2HG GLN 64 -4.584 -9.505 -20.033 446 1HE2 GLN 64 2HE2 GLN 64 -7.522 -8.269 -21.432 447 2HE2 GLN 64 1HE2 GLN 64 -7.323 -8.894 -23.036 448 H TRP 65 H TRP 65 -6.545 -11.608 -16.461 449 HA TRP 65 HA TRP 65 -6.836 -14.386 -16.250 450 1HB TRP 65 1HB TRP 65 -6.744 -13.143 -14.266 451 2HB TRP 65 2HB TRP 65 -7.998 -12.033 -14.783 452 HD1 TRP 65 HD1 TRP 65 -10.406 -13.888 -15.452 453 HE1 TRP 65 HE1 TRP 65 -11.647 -15.412 -13.691 454 HE3 TRP 65 HE3 TRP 65 -6.557 -14.096 -12.135 455 HZ2 TRP 65 HZ2 TRP 65 -10.897 -16.509 -11.165 456 HZ3 TRP 65 HZ3 TRP 65 -6.894 -15.414 -10.047 457 HH2 TRP 65 HH2 TRP 65 -8.973 -16.595 -9.538 458 H ARG 66 H ARG 66 -9.053 -11.706 -17.254 459 HA ARG 66 HA ARG 66 -11.307 -13.237 -17.517 460 1HB ARG 66 1HB ARG 66 -11.973 -11.417 -19.238 461 2HB ARG 66 2HB ARG 66 -11.551 -10.858 -17.631 462 1HG ARG 66 1HG ARG 66 -9.409 -10.073 -18.325 463 2HG ARG 66 2HG ARG 66 -9.415 -11.050 -19.779 464 1HD ARG 66 1HD ARG 66 -10.480 -9.428 -20.975 465 2HD ARG 66 2HD ARG 66 -11.720 -9.238 -19.752 466 HE ARG 66 HE ARG 66 -9.318 -8.053 -18.760 467 1HH1 ARG 66 2HH2 ARG 66 -11.729 -7.525 -21.269 468 2HH1 ARG 66 1HH2 ARG 66 -11.503 -5.808 -21.303 469 1HH2 ARG 66 2HH1 ARG 66 -9.021 -5.787 -18.804 470 2HH2 ARG 66 1HH1 ARG 66 -9.953 -4.813 -19.891 471 H PHE 67 H PHE 67 -8.361 -13.367 -19.286 472 HA PHE 67 HA PHE 67 -9.688 -14.499 -21.635 473 1HB PHE 67 1HB PHE 67 -6.946 -13.344 -20.929 474 2HB PHE 67 2HB PHE 67 -7.104 -14.361 -22.347 475 HD1 PHE 67 HD1 PHE 67 -9.934 -12.269 -21.449 476 HD2 PHE 67 HD2 PHE 67 -6.352 -12.451 -23.716 477 HE1 PHE 67 HE1 PHE 67 -10.682 -10.283 -22.790 478 HE2 PHE 67 HE2 PHE 67 -7.099 -10.466 -25.057 479 HZ PHE 67 HZ PHE 67 -9.255 -9.405 -24.578 480 H ALA 68 H ALA 68 -6.705 -15.109 -19.634 481 HA ALA 68 HA ALA 68 -6.528 -17.796 -20.452 482 1HB ALA 68 1HB ALA 68 -5.298 -16.100 -18.269 483 2HB ALA 68 2HB ALA 68 -4.971 -17.847 -18.363 484 3HB ALA 68 3HB ALA 68 -4.533 -16.785 -19.723 485 H ASN 69 H ASN 69 -8.721 -16.178 -18.384 486 HA ASN 69 HA ASN 69 -10.058 -16.805 -16.770 487 1HB ASN 69 1HB ASN 69 -11.256 -19.036 -17.237 488 2HB ASN 69 2HB ASN 69 -11.248 -17.899 -18.571 489 1HD2 ASN 69 2HD2 ASN 69 -10.322 -20.972 -17.431 490 2HD2 ASN 69 1HD2 ASN 69 -9.476 -21.552 -18.827 491 H LEU 70 H LEU 70 -8.718 -16.977 -14.878 492 HA LEU 70 HA LEU 70 -7.396 -19.537 -14.429 493 1HB LEU 70 1HB LEU 70 -7.212 -17.132 -12.645 494 2HB LEU 70 2HB LEU 70 -6.077 -18.453 -12.842 495 HG LEU 70 HG LEU 70 -6.644 -16.500 -15.075 496 1HD1 LEU 70 1HD1 LEU 70 -5.576 -15.759 -12.616 497 2HD1 LEU 70 2HD1 LEU 70 -4.153 -16.008 -13.656 498 3HD1 LEU 70 3HD1 LEU 70 -5.434 -14.876 -14.155 499 1HD2 LEU 70 1HD2 LEU 70 -5.539 -18.662 -15.616 500 2HD2 LEU 70 2HD2 LEU 70 -4.534 -17.234 -15.964 501 3HD2 LEU 70 3HD2 LEU 70 -4.212 -18.217 -14.515 502 HA PRO 71 HA PRO 71 -10.300 -20.801 -11.500 503 1HB PRO 71 1HB PRO 71 -8.806 -22.174 -9.670 504 2HB PRO 71 2HB PRO 71 -9.279 -22.845 -11.218 505 1HG PRO 71 1HG PRO 71 -6.636 -21.832 -10.367 506 2HG PRO 71 2HG PRO 71 -7.028 -22.875 -11.720 507 1HD PRO 71 1HD PRO 71 -6.404 -20.078 -11.834 508 2HD PRO 71 2HD PRO 71 -6.910 -21.094 -13.169 509 H ASN 72 H ASN 72 -10.986 -20.897 -9.112 510 HA ASN 72 HA ASN 72 -11.306 -18.445 -8.213 511 1HB ASN 72 1HB ASN 72 -11.053 -19.675 -5.793 512 2HB ASN 72 2HB ASN 72 -12.427 -19.948 -6.846 513 1HD2 ASN 72 2HD2 ASN 72 -10.430 -21.488 -4.917 514 2HD2 ASN 72 1HD2 ASN 72 -10.243 -23.024 -5.694 515 H ASN 73 H ASN 73 -9.018 -20.514 -6.314 516 HA ASN 73 HA ASN 73 -7.573 -18.332 -5.408 517 1HB ASN 73 1HB ASN 73 -7.620 -21.182 -5.013 518 2HB ASN 73 2HB ASN 73 -5.961 -20.761 -5.386 519 1HD2 ASN 73 2HD2 ASN 73 -6.150 -21.684 -3.026 520 2HD2 ASN 73 1HD2 ASN 73 -6.160 -20.493 -1.768 521 H ALA 74 H ALA 74 -7.749 -19.585 -8.504 522 HA ALA 74 HA ALA 74 -6.233 -19.951 -10.174 523 1HB ALA 74 1HB ALA 74 -6.034 -17.047 -9.305 524 2HB ALA 74 2HB ALA 74 -5.337 -17.650 -10.827 525 3HB ALA 74 3HB ALA 74 -7.092 -17.750 -10.551 526 H LYS 75 H LYS 75 -4.714 -21.478 -9.346 527 HA LYS 75 HA LYS 75 -2.350 -20.320 -8.079 528 1HB LYS 75 1HB LYS 75 -3.120 -23.235 -8.389 529 2HB LYS 75 2HB LYS 75 -1.813 -22.589 -7.417 530 1HG LYS 75 1HG LYS 75 -3.213 -22.021 -5.706 531 2HG LYS 75 2HG LYS 75 -4.385 -21.295 -6.788 532 1HD LYS 75 1HD LYS 75 -4.154 -24.304 -6.773 533 2HD LYS 75 2HD LYS 75 -4.937 -23.537 -5.406 534 1HE LYS 75 1HE LYS 75 -6.835 -23.301 -6.622 535 2HE LYS 75 2HE LYS 75 -5.985 -22.270 -7.755 536 1HZ LYS 75 1HZ LYS 75 -6.393 -25.153 -7.892 537 2HZ LYS 75 2HZ LYS 75 -6.682 -24.020 -9.032 538 3HZ LYS 75 3HZ LYS 75 -5.148 -24.471 -8.699 539 H LEU 76 H LEU 76 -0.653 -19.785 -9.332 540 HA LEU 76 HA LEU 76 -0.372 -21.262 -11.857 541 1HB LEU 76 1HB LEU 76 0.872 -18.593 -11.562 542 2HB LEU 76 2HB LEU 76 0.159 -19.365 -12.965 543 HG LEU 76 HG LEU 76 -1.329 -17.661 -12.599 544 1HD1 LEU 76 1HD1 LEU 76 -2.258 -20.189 -12.065 545 2HD1 LEU 76 2HD1 LEU 76 -2.873 -19.255 -10.680 546 3HD1 LEU 76 3HD1 LEU 76 -3.265 -18.748 -12.341 547 1HD2 LEU 76 1HD2 LEU 76 -1.990 -17.605 -9.842 548 2HD2 LEU 76 2HD2 LEU 76 -0.214 -17.651 -9.962 549 3HD2 LEU 76 3HD2 LEU 76 -1.131 -16.378 -10.803 550 H GLU 77 H GLU 77 1.843 -21.701 -12.568 551 HA GLU 77 HA GLU 77 3.541 -22.057 -10.238 552 1HB GLU 77 1HB GLU 77 4.339 -23.996 -11.208 553 2HB GLU 77 2HB GLU 77 2.758 -23.947 -11.963 554 1HG GLU 77 1HG GLU 77 3.768 -22.748 -13.938 555 2HG GLU 77 2HG GLU 77 5.346 -22.878 -13.188 556 H MET 78 H MET 78 5.518 -21.027 -10.061 557 HA MET 78 HA MET 78 6.068 -19.069 -12.082 558 1HB MET 78 1HB MET 78 6.407 -19.292 -9.274 559 2HB MET 78 2HB MET 78 8.043 -19.369 -9.896 560 1HG MET 78 1HG MET 78 7.216 -17.287 -11.385 561 2HG MET 78 2HG MET 78 6.041 -17.116 -10.097 562 1HE MET 78 1HE MET 78 10.547 -17.001 -9.942 563 2HE MET 78 2HE MET 78 9.439 -17.390 -11.280 564 3HE MET 78 3HE MET 78 9.744 -15.692 -10.842 565 H VAL 79 H VAL 79 7.793 -19.073 -13.527 566 HA VAL 79 HA VAL 79 9.865 -21.074 -13.179 567 HB VAL 79 HB VAL 79 9.481 -22.251 -15.101 568 1HG1 VAL 79 1HG1 VAL 79 7.686 -22.752 -13.529 569 2HG1 VAL 79 2HG1 VAL 79 6.691 -21.444 -14.213 570 3HG1 VAL 79 3HG1 VAL 79 7.089 -22.870 -15.202 571 1HG2 VAL 79 1HG2 VAL 79 8.078 -21.496 -16.990 572 2HG2 VAL 79 2HG2 VAL 79 7.736 -19.983 -16.118 573 3HG2 VAL 79 3HG2 VAL 79 9.397 -20.356 -16.636 574 HA PRO 80 HA PRO 80 12.065 -17.662 -14.701 575 1HB PRO 80 1HB PRO 80 14.541 -18.802 -14.899 576 2HB PRO 80 2HB PRO 80 13.891 -18.177 -13.397 577 1HG PRO 80 1HG PRO 80 14.190 -20.989 -14.259 578 2HG PRO 80 2HG PRO 80 13.952 -20.356 -12.642 579 1HD PRO 80 1HD PRO 80 11.979 -21.617 -14.298 580 2HD PRO 80 2HD PRO 80 11.716 -20.881 -12.730 581 H VAL 81 H VAL 81 12.290 -16.643 -16.607 582 HA VAL 81 HA VAL 81 13.525 -17.518 -18.791 583 HB VAL 81 HB VAL 81 12.068 -19.562 -18.564 584 1HG1 VAL 81 1HG1 VAL 81 9.828 -19.473 -18.604 585 2HG1 VAL 81 2HG1 VAL 81 10.007 -17.727 -18.309 586 3HG1 VAL 81 3HG1 VAL 81 9.812 -18.333 -19.972 587 1HG2 VAL 81 1HG2 VAL 81 12.666 -19.841 -20.692 588 2HG2 VAL 81 2HG2 VAL 81 11.286 -18.846 -21.216 589 3HG2 VAL 81 3HG2 VAL 81 12.857 -18.081 -20.878 590 H SER 82 H SER 82 11.271 -16.985 -20.757 591 HA SER 82 HA SER 82 10.662 -14.259 -19.949 592 1HB SER 82 1HB SER 82 11.354 -13.357 -22.064 593 2HB SER 82 2HB SER 82 12.679 -14.351 -21.494 594 HG SER 82 HG SER 82 11.966 -14.607 -23.822 595 H ARG 83 H ARG 83 9.032 -13.305 -21.774 596 HA ARG 83 HA ARG 83 6.728 -14.680 -21.532 597 1HB ARG 83 1HB ARG 83 5.969 -13.276 -23.572 598 2HB ARG 83 2HB ARG 83 6.615 -12.385 -22.208 599 1HG ARG 83 1HG ARG 83 8.909 -12.959 -23.704 600 2HG ARG 83 2HG ARG 83 7.703 -12.678 -24.944 601 1HD ARG 83 1HD ARG 83 7.257 -10.456 -24.190 602 2HD ARG 83 2HD ARG 83 7.960 -10.749 -22.612 603 HE ARG 83 HE ARG 83 10.102 -10.344 -23.496 604 1HH1 ARG 83 2HH2 ARG 83 7.787 -10.731 -26.118 605 2HH1 ARG 83 1HH2 ARG 83 8.895 -10.209 -27.343 606 1HH2 ARG 83 2HH1 ARG 83 11.563 -9.656 -25.112 607 2HH2 ARG 83 1HH1 ARG 83 11.057 -9.593 -26.767 608 H SER 84 H SER 84 9.183 -14.829 -24.168 609 HA SER 84 HA SER 84 8.500 -17.439 -24.810 610 1HB SER 84 1HB SER 84 6.558 -15.957 -25.845 611 2HB SER 84 2HB SER 84 7.744 -15.592 -27.082 612 HG SER 84 HG SER 84 7.708 -18.303 -26.564 613 H ARG 85 H ARG 85 9.673 -18.066 -27.023 614 HA ARG 85 HA ARG 85 12.212 -16.732 -26.873 615 1HB ARG 85 1HB ARG 85 11.239 -19.293 -28.214 616 2HB ARG 85 2HB ARG 85 12.847 -18.665 -28.513 617 1HG ARG 85 1HG ARG 85 13.614 -19.245 -26.421 618 2HG ARG 85 2HG ARG 85 12.115 -18.798 -25.631 619 1HD ARG 85 1HD ARG 85 12.350 -21.208 -25.430 620 2HD ARG 85 2HD ARG 85 11.049 -20.904 -26.564 621 HE ARG 85 HE ARG 85 13.255 -21.073 -28.215 622 1HH1 ARG 85 2HH2 ARG 85 11.958 -23.168 -25.703 623 2HH1 ARG 85 1HH2 ARG 85 12.566 -24.621 -26.423 624 1HH2 ARG 85 2HH1 ARG 85 14.057 -22.990 -29.166 625 2HH2 ARG 85 1HH1 ARG 85 13.768 -24.519 -28.406 Start of MODEL 7 1 H SER 10 H SER 10 -11.851 -12.644 -6.706 2 HA SER 10 HA SER 10 -11.132 -15.413 -7.273 3 1HB SER 10 1HB SER 10 -10.630 -12.894 -8.921 4 2HB SER 10 2HB SER 10 -10.015 -14.483 -9.334 5 HG SER 10 HG SER 10 -11.944 -15.070 -10.079 6 H ALA 11 H ALA 11 -8.846 -15.975 -7.210 7 HA ALA 11 HA ALA 11 -7.036 -13.932 -6.219 8 1HB ALA 11 1HB ALA 11 -6.392 -15.893 -4.477 9 2HB ALA 11 2HB ALA 11 -7.555 -14.603 -4.088 10 3HB ALA 11 3HB ALA 11 -8.140 -16.199 -4.617 11 H VAL 12 H VAL 12 -4.851 -14.392 -6.716 12 HA VAL 12 HA VAL 12 -4.498 -16.828 -8.324 13 HB VAL 12 HB VAL 12 -4.311 -14.136 -9.094 14 1HG1 VAL 12 1HG1 VAL 12 -1.591 -15.401 -8.696 15 2HG1 VAL 12 2HG1 VAL 12 -1.883 -14.128 -9.905 16 3HG1 VAL 12 3HG1 VAL 12 -2.158 -13.795 -8.178 17 1HG2 VAL 12 1HG2 VAL 12 -4.939 -15.678 -10.714 18 2HG2 VAL 12 2HG2 VAL 12 -3.275 -15.276 -11.203 19 3HG2 VAL 12 3HG2 VAL 12 -3.603 -16.790 -10.326 20 H SER 13 H SER 13 -2.843 -18.174 -7.738 21 HA SER 13 HA SER 13 -1.047 -17.105 -5.702 22 1HB SER 13 1HB SER 13 -2.745 -18.840 -4.907 23 2HB SER 13 2HB SER 13 -1.956 -20.003 -5.953 24 HG SER 13 HG SER 13 -0.539 -20.316 -4.392 25 H VAL 14 H VAL 14 1.155 -17.338 -6.103 26 HA VAL 14 HA VAL 14 1.858 -19.007 -8.419 27 HB VAL 14 HB VAL 14 3.674 -16.807 -7.797 28 1HG1 VAL 14 1HG1 VAL 14 3.012 -18.422 -9.971 29 2HG1 VAL 14 2HG1 VAL 14 2.408 -16.810 -10.425 30 3HG1 VAL 14 3HG1 VAL 14 4.118 -17.028 -9.980 31 1HG2 VAL 14 1HG2 VAL 14 1.728 -15.570 -7.155 32 2HG2 VAL 14 2HG2 VAL 14 2.164 -15.055 -8.802 33 3HG2 VAL 14 3HG2 VAL 14 0.805 -16.177 -8.551 34 H LEU 15 H LEU 15 3.041 -20.746 -7.836 35 HA LEU 15 HA LEU 15 4.591 -20.513 -5.356 36 1HB LEU 15 1HB LEU 15 4.242 -22.752 -4.961 37 2HB LEU 15 2HB LEU 15 2.702 -22.209 -5.596 38 HG LEU 15 HG LEU 15 3.175 -24.339 -6.548 39 1HD1 LEU 15 1HD1 LEU 15 3.754 -22.214 -8.631 40 2HD1 LEU 15 2HD1 LEU 15 3.168 -23.866 -8.943 41 3HD1 LEU 15 3HD1 LEU 15 2.143 -22.711 -8.058 42 1HD2 LEU 15 1HD2 LEU 15 5.553 -23.800 -8.100 43 2HD2 LEU 15 2HD2 LEU 15 5.864 -23.571 -6.362 44 3HD2 LEU 15 3HD2 LEU 15 5.213 -25.118 -6.953 45 H ALA 16 H ALA 16 6.761 -20.372 -5.521 46 HA ALA 16 HA ALA 16 7.936 -20.801 -8.136 47 1HB ALA 16 1HB ALA 16 9.667 -20.044 -5.862 48 2HB ALA 16 2HB ALA 16 9.467 -19.273 -7.454 49 3HB ALA 16 3HB ALA 16 8.308 -18.931 -6.148 50 HA PRO 17 HA PRO 17 9.383 -24.738 -7.021 51 1HB PRO 17 1HB PRO 17 11.050 -25.195 -9.138 52 2HB PRO 17 2HB PRO 17 9.318 -25.452 -9.209 53 1HG PRO 17 1HG PRO 17 10.915 -23.252 -10.371 54 2HG PRO 17 2HG PRO 17 9.286 -23.759 -10.774 55 1HD PRO 17 1HD PRO 17 10.034 -21.479 -9.203 56 2HD PRO 17 2HD PRO 17 8.407 -22.052 -9.510 57 H ASN 18 H ASN 18 11.192 -21.953 -7.013 58 HA ASN 18 HA ASN 18 13.655 -23.219 -6.405 59 1HB ASN 18 1HB ASN 18 14.468 -20.935 -6.004 60 2HB ASN 18 2HB ASN 18 13.459 -20.915 -7.437 61 1HD2 ASN 18 2HD2 ASN 18 12.355 -19.121 -7.520 62 2HD2 ASN 18 1HD2 ASN 18 11.501 -18.349 -6.226 63 H GLY 19 H GLY 19 10.785 -23.122 -4.771 64 1HA GLY 19 1HA GLY 19 10.527 -23.901 -2.589 65 2HA GLY 19 2HA GLY 19 12.099 -23.258 -2.154 66 H ARG 20 H ARG 20 10.166 -21.127 -4.125 67 HA ARG 20 HA ARG 20 9.569 -19.611 -1.715 68 1HB ARG 20 1HB ARG 20 10.439 -18.842 -4.492 69 2HB ARG 20 2HB ARG 20 9.330 -17.747 -3.691 70 1HG ARG 20 1HG ARG 20 11.135 -18.248 -1.655 71 2HG ARG 20 2HG ARG 20 12.178 -18.355 -3.059 72 1HD ARG 20 1HD ARG 20 12.082 -16.103 -3.442 73 2HD ARG 20 2HD ARG 20 10.342 -16.055 -3.240 74 HE ARG 20 HE ARG 20 11.446 -16.453 -0.660 75 1HH1 ARG 20 2HH2 ARG 20 11.473 -13.983 -3.167 76 2HH1 ARG 20 1HH2 ARG 20 11.697 -12.675 -2.054 77 1HH2 ARG 20 2HH1 ARG 20 11.740 -14.727 0.809 78 2HH2 ARG 20 1HH1 ARG 20 11.850 -13.101 0.223 79 H ARG 21 H ARG 21 7.413 -19.661 -1.166 80 HA ARG 21 HA ARG 21 5.545 -20.010 -3.368 81 1HB ARG 21 1HB ARG 21 5.812 -21.362 -0.859 82 2HB ARG 21 2HB ARG 21 4.350 -20.404 -0.732 83 1HG ARG 21 1HG ARG 21 3.231 -21.851 -2.071 84 2HG ARG 21 2HG ARG 21 4.402 -21.626 -3.355 85 1HD ARG 21 1HD ARG 21 5.916 -23.267 -1.942 86 2HD ARG 21 2HD ARG 21 4.422 -23.696 -1.132 87 HE ARG 21 HE ARG 21 5.199 -24.465 -3.813 88 1HH1 ARG 21 2HH2 ARG 21 2.395 -23.655 -1.847 89 2HH1 ARG 21 1HH2 ARG 21 1.291 -24.573 -2.816 90 1HH2 ARG 21 2HH1 ARG 21 3.742 -25.677 -5.091 91 2HH2 ARG 21 1HH1 ARG 21 2.062 -25.731 -4.674 92 H HIS 22 H HIS 22 4.309 -18.227 -3.879 93 HA HIS 22 HA HIS 22 3.590 -16.429 -1.708 94 1HB HIS 22 1HB HIS 22 4.190 -14.459 -3.009 95 2HB HIS 22 2HB HIS 22 5.595 -15.451 -2.673 96 HD1 HIS 22 HD1 HIS 22 5.698 -17.447 -4.905 97 HD2 HIS 22 HD2 HIS 22 4.507 -13.474 -5.526 98 HE1 HIS 22 HE1 HIS 22 6.069 -16.969 -7.384 99 H THR 23 H THR 23 1.489 -15.687 -1.857 100 HA THR 23 HA THR 23 0.079 -16.365 -4.355 101 HB THR 23 HB THR 23 -0.544 -17.911 -2.537 102 HG1 THR 23 HG1 THR 23 -2.453 -15.695 -2.746 103 1HG2 THR 23 1HG2 THR 23 0.086 -16.229 -0.647 104 2HG2 THR 23 2HG2 THR 23 -1.494 -15.473 -0.966 105 3HG2 THR 23 3HG2 THR 23 -1.411 -17.165 -0.419 106 H VAL 24 H VAL 24 -0.890 -14.745 -5.410 107 HA VAL 24 HA VAL 24 -1.299 -12.269 -3.878 108 HB VAL 24 HB VAL 24 -0.466 -12.596 -6.768 109 1HG1 VAL 24 1HG1 VAL 24 -0.621 -10.015 -5.196 110 2HG1 VAL 24 2HG1 VAL 24 -0.424 -10.238 -6.951 111 3HG1 VAL 24 3HG1 VAL 24 -1.978 -10.623 -6.173 112 1HG2 VAL 24 1HG2 VAL 24 1.048 -12.180 -4.244 113 2HG2 VAL 24 2HG2 VAL 24 1.544 -12.948 -5.770 114 3HG2 VAL 24 3HG2 VAL 24 1.530 -11.174 -5.631 115 H LYS 25 H LYS 25 -3.389 -11.635 -3.746 116 HA LYS 25 HA LYS 25 -5.329 -13.085 -5.314 117 1HB LYS 25 1HB LYS 25 -6.962 -11.914 -3.878 118 2HB LYS 25 2HB LYS 25 -5.759 -12.797 -2.959 119 1HG LYS 25 1HG LYS 25 -4.895 -10.036 -3.526 120 2HG LYS 25 2HG LYS 25 -6.419 -10.077 -2.662 121 1HD LYS 25 1HD LYS 25 -4.779 -12.042 -1.407 122 2HD LYS 25 2HD LYS 25 -3.734 -10.661 -1.675 123 1HE LYS 25 1HE LYS 25 -4.647 -9.839 0.253 124 2HE LYS 25 2HE LYS 25 -6.016 -9.407 -0.752 125 1HZ LYS 25 1HZ LYS 25 -6.993 -11.543 -0.226 126 2HZ LYS 25 2HZ LYS 25 -5.721 -11.934 0.719 127 3HZ LYS 25 3HZ LYS 25 -6.698 -10.693 1.137 128 H VAL 26 H VAL 26 -5.847 -12.454 -7.333 129 HA VAL 26 HA VAL 26 -5.817 -9.560 -7.849 130 HB VAL 26 HB VAL 26 -5.001 -9.946 -10.009 131 1HG1 VAL 26 1HG1 VAL 26 -2.855 -10.688 -9.592 132 2HG1 VAL 26 2HG1 VAL 26 -3.436 -10.391 -7.936 133 3HG1 VAL 26 3HG1 VAL 26 -3.402 -12.049 -8.583 134 1HG2 VAL 26 1HG2 VAL 26 -6.018 -12.704 -9.586 135 2HG2 VAL 26 2HG2 VAL 26 -6.012 -11.690 -11.049 136 3HG2 VAL 26 3HG2 VAL 26 -4.535 -12.554 -10.560 137 H THR 27 H THR 27 -7.311 -9.019 -9.807 138 HA THR 27 HA THR 27 -9.864 -10.310 -9.238 139 HB THR 27 HB THR 27 -10.218 -8.162 -11.029 140 HG1 THR 27 HG1 THR 27 -8.283 -7.515 -8.942 141 1HG2 THR 27 1HG2 THR 27 -11.627 -7.804 -9.245 142 2HG2 THR 27 2HG2 THR 27 -10.547 -8.662 -8.120 143 3HG2 THR 27 3HG2 THR 27 -10.246 -6.952 -8.513 144 HA PRO 28 HA PRO 28 -10.012 -12.467 -12.942 145 1HB PRO 28 1HB PRO 28 -12.703 -12.651 -13.379 146 2HB PRO 28 2HB PRO 28 -11.843 -13.679 -12.250 147 1HG PRO 28 1HG PRO 28 -13.621 -11.386 -11.685 148 2HG PRO 28 2HG PRO 28 -13.103 -12.666 -10.606 149 1HD PRO 28 1HD PRO 28 -12.118 -9.972 -10.672 150 2HD PRO 28 2HD PRO 28 -11.521 -11.283 -9.673 151 H SER 29 H SER 29 -11.030 -9.280 -12.762 152 HA SER 29 HA SER 29 -11.258 -9.226 -15.666 153 1HB SER 29 1HB SER 29 -12.578 -7.245 -15.459 154 2HB SER 29 2HB SER 29 -13.181 -8.340 -14.231 155 HG SER 29 HG SER 29 -11.413 -6.082 -13.865 156 H THR 30 H THR 30 -9.040 -8.828 -13.205 157 HA THR 30 HA THR 30 -7.795 -6.421 -14.265 158 HB THR 30 HB THR 30 -7.432 -8.247 -11.860 159 HG1 THR 30 HG1 THR 30 -7.731 -5.386 -12.458 160 1HG2 THR 30 1HG2 THR 30 -5.224 -7.697 -11.675 161 2HG2 THR 30 2HG2 THR 30 -5.295 -6.825 -13.226 162 3HG2 THR 30 3HG2 THR 30 -5.680 -5.977 -11.709 163 H VAL 31 H VAL 31 -5.882 -6.312 -15.394 164 HA VAL 31 HA VAL 31 -5.228 -8.692 -16.842 165 HB VAL 31 HB VAL 31 -3.507 -7.113 -17.853 166 1HG1 VAL 31 1HG1 VAL 31 -5.864 -5.627 -18.471 167 2HG1 VAL 31 2HG1 VAL 31 -5.097 -6.935 -19.404 168 3HG1 VAL 31 3HG1 VAL 31 -6.340 -7.318 -18.189 169 1HG2 VAL 31 1HG2 VAL 31 -5.071 -4.862 -16.636 170 2HG2 VAL 31 2HG2 VAL 31 -3.742 -5.592 -15.702 171 3HG2 VAL 31 3HG2 VAL 31 -3.420 -4.878 -17.301 172 H LEU 32 H LEU 32 -3.617 -10.137 -16.431 173 HA LEU 32 HA LEU 32 -2.338 -10.145 -13.974 174 1HB LEU 32 1HB LEU 32 -1.931 -11.611 -16.560 175 2HB LEU 32 2HB LEU 32 -0.824 -11.847 -15.222 176 HG LEU 32 HG LEU 32 -2.865 -13.446 -15.569 177 1HD1 LEU 32 1HD1 LEU 32 -2.312 -14.247 -13.561 178 2HD1 LEU 32 2HD1 LEU 32 -1.196 -12.865 -13.452 179 3HD1 LEU 32 3HD1 LEU 32 -2.817 -12.759 -12.725 180 1HD2 LEU 32 1HD2 LEU 32 -4.143 -11.042 -14.270 181 2HD2 LEU 32 2HD2 LEU 32 -4.687 -11.977 -15.683 182 3HD2 LEU 32 3HD2 LEU 32 -4.784 -12.688 -14.054 183 H LEU 33 H LEU 33 -1.653 -8.370 -16.895 184 HA LEU 33 HA LEU 33 1.121 -8.100 -16.587 185 1HB LEU 33 1HB LEU 33 0.952 -6.363 -18.190 186 2HB LEU 33 2HB LEU 33 -0.154 -7.645 -18.644 187 HG LEU 33 HG LEU 33 -1.896 -6.117 -17.315 188 1HD1 LEU 33 1HD1 LEU 33 -0.105 -4.486 -16.683 189 2HD1 LEU 33 2HD1 LEU 33 0.034 -4.055 -18.405 190 3HD1 LEU 33 3HD1 LEU 33 -1.494 -3.772 -17.537 191 1HD2 LEU 33 1HD2 LEU 33 -2.257 -4.919 -19.602 192 2HD2 LEU 33 2HD2 LEU 33 -0.958 -5.998 -20.165 193 3HD2 LEU 33 3HD2 LEU 33 -2.453 -6.685 -19.483 194 H GLN 34 H GLN 34 -1.690 -6.188 -15.366 195 HA GLN 34 HA GLN 34 -0.078 -4.241 -14.173 196 1HB GLN 34 1HB GLN 34 -2.086 -3.344 -13.334 197 2HB GLN 34 2HB GLN 34 -2.608 -4.179 -14.784 198 1HG GLN 34 1HG GLN 34 -4.170 -5.027 -13.291 199 2HG GLN 34 2HG GLN 34 -2.920 -6.239 -13.100 200 1HE2 GLN 34 2HE2 GLN 34 -4.617 -3.591 -11.688 201 2HE2 GLN 34 1HE2 GLN 34 -3.953 -3.669 -10.090 202 H VAL 35 H VAL 35 -1.477 -7.356 -13.063 203 HA VAL 35 HA VAL 35 -0.746 -6.960 -10.346 204 HB VAL 35 HB VAL 35 -1.756 -8.956 -9.984 205 1HG1 VAL 35 1HG1 VAL 35 -2.875 -8.682 -12.767 206 2HG1 VAL 35 2HG1 VAL 35 -3.709 -9.072 -11.244 207 3HG1 VAL 35 3HG1 VAL 35 -3.152 -7.410 -11.553 208 1HG2 VAL 35 1HG2 VAL 35 -0.871 -9.975 -12.704 209 2HG2 VAL 35 2HG2 VAL 35 -0.022 -10.277 -11.169 210 3HG2 VAL 35 3HG2 VAL 35 -1.665 -10.916 -11.418 211 H LEU 36 H LEU 36 0.637 -8.835 -13.125 212 HA LEU 36 HA LEU 36 2.813 -9.836 -11.687 213 1HB LEU 36 1HB LEU 36 2.009 -10.777 -13.776 214 2HB LEU 36 2HB LEU 36 2.449 -9.318 -14.640 215 HG LEU 36 HG LEU 36 4.773 -9.737 -14.400 216 1HD1 LEU 36 1HD1 LEU 36 4.886 -10.399 -12.091 217 2HD1 LEU 36 2HD1 LEU 36 4.030 -11.921 -12.436 218 3HD1 LEU 36 3HD1 LEU 36 5.664 -11.652 -13.087 219 1HD2 LEU 36 1HD2 LEU 36 4.854 -12.274 -15.152 220 2HD2 LEU 36 2HD2 LEU 36 3.091 -12.054 -15.250 221 3HD2 LEU 36 3HD2 LEU 36 4.173 -11.007 -16.200 222 H GLU 37 H GLU 37 2.329 -6.816 -13.593 223 HA GLU 37 HA GLU 37 4.969 -5.997 -13.474 224 1HB GLU 37 1HB GLU 37 2.345 -4.494 -13.779 225 2HB GLU 37 2HB GLU 37 3.885 -3.658 -13.807 226 1HG GLU 37 1HG GLU 37 3.600 -6.083 -15.570 227 2HG GLU 37 2HG GLU 37 2.736 -4.636 -16.049 228 H ASP 38 H ASP 38 2.169 -5.439 -11.265 229 HA ASP 38 HA ASP 38 3.472 -3.640 -9.615 230 1HB ASP 38 1HB ASP 38 1.051 -5.368 -9.509 231 2HB ASP 38 2HB ASP 38 1.712 -4.978 -7.934 232 H THR 39 H THR 39 2.846 -7.221 -9.305 233 HA THR 39 HA THR 39 4.263 -7.603 -6.937 234 HB THR 39 HB THR 39 3.784 -9.519 -9.281 235 HG1 THR 39 HG1 THR 39 2.298 -8.833 -6.842 236 1HG2 THR 39 1HG2 THR 39 3.974 -10.040 -6.269 237 2HG2 THR 39 2HG2 THR 39 3.750 -11.257 -7.548 238 3HG2 THR 39 3HG2 THR 39 5.294 -10.381 -7.414 239 H CYS 40 H CYS 40 5.368 -7.394 -10.325 240 HA CYS 40 HA CYS 40 7.933 -8.413 -9.803 241 1HB CYS 40 1HB CYS 40 6.677 -6.858 -12.047 242 2HB CYS 40 2HB CYS 40 8.421 -7.018 -11.993 243 HG CYS 40 HG CYS 40 8.571 -9.217 -12.846 244 H ARG 41 H ARG 41 6.366 -5.190 -9.640 245 HA ARG 41 HA ARG 41 8.729 -3.745 -9.389 246 1HB ARG 41 1HB ARG 41 7.284 -1.972 -9.391 247 2HB ARG 41 2HB ARG 41 6.010 -3.155 -9.610 248 1HG ARG 41 1HG ARG 41 5.700 -3.325 -7.156 249 2HG ARG 41 2HG ARG 41 7.036 -2.223 -6.888 250 1HD ARG 41 1HD ARG 41 5.690 -0.536 -8.375 251 2HD ARG 41 2HD ARG 41 4.326 -1.608 -8.128 252 HE ARG 41 HE ARG 41 4.944 -1.297 -5.584 253 1HH1 ARG 41 2HH2 ARG 41 5.234 1.161 -8.086 254 2HH1 ARG 41 1HH2 ARG 41 5.011 2.484 -6.991 255 1HH2 ARG 41 2HH1 ARG 41 4.649 0.449 -4.139 256 2HH2 ARG 41 1HH1 ARG 41 4.675 2.077 -4.731 257 H ARG 42 H ARG 42 6.361 -5.069 -6.980 258 HA ARG 42 HA ARG 42 7.843 -4.087 -4.797 259 1HB ARG 42 1HB ARG 42 6.282 -5.835 -3.558 260 2HB ARG 42 2HB ARG 42 5.570 -4.405 -4.277 261 1HG ARG 42 1HG ARG 42 5.746 -6.442 -6.322 262 2HG ARG 42 2HG ARG 42 5.028 -7.165 -4.896 263 1HD ARG 42 1HD ARG 42 4.077 -4.532 -6.125 264 2HD ARG 42 2HD ARG 42 3.352 -6.088 -6.477 265 HE ARG 42 HE ARG 42 3.242 -6.070 -3.750 266 1HH1 ARG 42 2HH2 ARG 42 2.357 -3.629 -6.125 267 2HH1 ARG 42 1HH2 ARG 42 1.118 -2.931 -5.136 268 1HH2 ARG 42 2HH1 ARG 42 1.608 -5.150 -2.444 269 2HH2 ARG 42 1HH1 ARG 42 0.689 -3.802 -3.028 270 H GLN 43 H GLN 43 7.614 -7.174 -6.610 271 HA GLN 43 HA GLN 43 9.449 -8.400 -4.744 272 1HB GLN 43 1HB GLN 43 8.699 -10.442 -5.524 273 2HB GLN 43 2HB GLN 43 7.290 -9.470 -5.898 274 1HG GLN 43 1HG GLN 43 8.303 -9.074 -8.223 275 2HG GLN 43 2HG GLN 43 9.527 -10.261 -7.817 276 1HE2 GLN 43 2HE2 GLN 43 7.391 -10.233 -9.851 277 2HE2 GLN 43 1HE2 GLN 43 6.465 -11.679 -9.626 278 H ASP 44 H ASP 44 9.891 -6.195 -7.013 279 HA ASP 44 HA ASP 44 11.289 -5.802 -8.672 280 1HB ASP 44 1HB ASP 44 13.715 -6.243 -7.980 281 2HB ASP 44 2HB ASP 44 12.747 -5.343 -6.829 282 H PHE 45 H PHE 45 10.113 -7.695 -9.925 283 HA PHE 45 HA PHE 45 12.136 -9.715 -10.587 284 1HB PHE 45 1HB PHE 45 9.262 -9.847 -9.768 285 2HB PHE 45 2HB PHE 45 9.591 -10.753 -11.231 286 HD1 PHE 45 HD1 PHE 45 12.024 -10.329 -8.488 287 HD2 PHE 45 HD2 PHE 45 9.215 -12.922 -10.330 288 HE1 PHE 45 HE1 PHE 45 12.884 -12.242 -7.109 289 HE2 PHE 45 HE2 PHE 45 10.075 -14.835 -8.952 290 HZ PHE 45 HZ PHE 45 11.900 -14.472 -7.357 291 H ASN 46 H ASN 46 11.933 -10.585 -12.836 292 HA ASN 46 HA ASN 46 10.710 -8.577 -14.562 293 1HB ASN 46 1HB ASN 46 13.460 -9.661 -14.473 294 2HB ASN 46 2HB ASN 46 12.744 -9.843 -16.062 295 1HD2 ASN 46 2HD2 ASN 46 13.094 -7.487 -13.422 296 2HD2 ASN 46 1HD2 ASN 46 13.299 -6.077 -14.407 297 HA PRO 47 HA PRO 47 8.752 -12.113 -16.283 298 1HB PRO 47 1HB PRO 47 7.775 -11.051 -18.604 299 2HB PRO 47 2HB PRO 47 6.984 -10.856 -17.053 300 1HG PRO 47 1HG PRO 47 8.563 -8.885 -18.589 301 2HG PRO 47 2HG PRO 47 7.430 -8.605 -17.282 302 1HD PRO 47 1HD PRO 47 10.293 -8.543 -17.115 303 2HD PRO 47 2HD PRO 47 9.161 -8.378 -15.787 304 H SER 48 H SER 48 11.000 -10.339 -18.278 305 HA SER 48 HA SER 48 11.264 -12.352 -20.180 306 1HB SER 48 1HB SER 48 12.003 -10.102 -20.677 307 2HB SER 48 2HB SER 48 13.095 -10.084 -19.306 308 HG SER 48 HG SER 48 14.341 -11.788 -20.363 309 H GLU 49 H GLU 49 12.056 -12.334 -16.885 310 HA GLU 49 HA GLU 49 14.085 -14.377 -17.358 311 1HB GLU 49 1HB GLU 49 13.980 -12.197 -15.248 312 2HB GLU 49 2HB GLU 49 14.910 -13.658 -14.982 313 1HG GLU 49 1HG GLU 49 15.400 -12.504 -17.653 314 2HG GLU 49 2HG GLU 49 15.773 -11.371 -16.369 315 H TYR 50 H TYR 50 10.936 -13.834 -16.508 316 HA TYR 50 HA TYR 50 10.858 -16.293 -14.957 317 1HB TYR 50 1HB TYR 50 9.788 -13.510 -14.191 318 2HB TYR 50 2HB TYR 50 9.184 -14.966 -13.425 319 HD1 TYR 50 HD1 TYR 50 11.563 -16.575 -12.941 320 HD2 TYR 50 HD2 TYR 50 11.052 -12.338 -12.632 321 HE1 TYR 50 HE1 TYR 50 13.456 -16.463 -11.248 322 HE2 TYR 50 HE2 TYR 50 12.947 -12.240 -10.940 323 HH TYR 50 HH TYR 50 14.985 -13.650 -10.439 324 H ASP 51 H ASP 51 9.007 -17.509 -15.344 325 HA ASP 51 HA ASP 51 6.988 -16.180 -16.967 326 1HB ASP 51 1HB ASP 51 8.550 -18.688 -17.490 327 2HB ASP 51 2HB ASP 51 6.841 -18.758 -17.871 328 H LEU 52 H LEU 52 4.797 -17.037 -16.615 329 HA LEU 52 HA LEU 52 4.617 -18.873 -14.328 330 1HB LEU 52 1HB LEU 52 2.676 -16.641 -14.896 331 2HB LEU 52 2HB LEU 52 2.788 -17.645 -13.464 332 HG LEU 52 HG LEU 52 4.854 -15.604 -14.332 333 1HD1 LEU 52 1HD1 LEU 52 3.996 -14.493 -12.143 334 2HD1 LEU 52 2HD1 LEU 52 3.071 -14.296 -13.651 335 3HD1 LEU 52 3HD1 LEU 52 2.536 -15.471 -12.426 336 1HD2 LEU 52 1HD2 LEU 52 5.938 -17.365 -13.120 337 2HD2 LEU 52 2HD2 LEU 52 5.777 -15.959 -12.041 338 3HD2 LEU 52 3HD2 LEU 52 4.679 -17.348 -11.863 339 H LYS 53 H LYS 53 3.182 -20.578 -14.512 340 HA LYS 53 HA LYS 53 1.309 -20.562 -16.717 341 1HB LYS 53 1HB LYS 53 3.212 -21.388 -17.891 342 2HB LYS 53 2HB LYS 53 3.659 -22.459 -16.578 343 1HG LYS 53 1HG LYS 53 1.626 -23.814 -16.925 344 2HG LYS 53 2HG LYS 53 1.044 -22.692 -18.138 345 1HD LYS 53 1HD LYS 53 2.018 -24.443 -19.413 346 2HD LYS 53 2HD LYS 53 3.239 -23.187 -19.432 347 1HE LYS 53 1HE LYS 53 3.988 -24.517 -17.156 348 2HE LYS 53 2HE LYS 53 3.266 -25.843 -18.046 349 1HZ LYS 53 1HZ LYS 53 5.124 -25.919 -19.197 350 2HZ LYS 53 2HZ LYS 53 4.796 -24.458 -19.848 351 3HZ LYS 53 3HZ LYS 53 5.714 -24.565 -18.502 352 H PHE 54 H PHE 54 -0.466 -21.937 -16.353 353 HA PHE 54 HA PHE 54 -0.341 -23.473 -13.862 354 1HB PHE 54 1HB PHE 54 -1.628 -21.637 -13.128 355 2HB PHE 54 2HB PHE 54 -2.085 -21.189 -14.759 356 HD1 PHE 54 HD1 PHE 54 -2.725 -23.869 -12.242 357 HD2 PHE 54 HD2 PHE 54 -4.267 -21.542 -15.438 358 HE1 PHE 54 HE1 PHE 54 -4.994 -24.882 -11.886 359 HE2 PHE 54 HE2 PHE 54 -6.535 -22.555 -15.082 360 HZ PHE 54 HZ PHE 54 -6.872 -24.214 -13.310 361 H GLN 55 H GLN 55 -0.690 -25.576 -14.389 362 HA GLN 55 HA GLN 55 -1.473 -27.356 -15.353 363 1HB GLN 55 1HB GLN 55 -3.903 -25.558 -15.622 364 2HB GLN 55 2HB GLN 55 -3.939 -27.208 -16.211 365 1HG GLN 55 1HG GLN 55 -2.901 -26.760 -13.419 366 2HG GLN 55 2HG GLN 55 -4.624 -26.571 -13.676 367 1HE2 GLN 55 2HE2 GLN 55 -3.004 -28.593 -12.232 368 2HE2 GLN 55 1HE2 GLN 55 -3.489 -30.140 -12.842 369 H ARG 56 H ARG 56 -3.642 -25.886 -17.654 370 HA ARG 56 HA ARG 56 -1.634 -26.372 -19.701 371 1HB ARG 56 1HB ARG 56 -4.684 -26.532 -19.769 372 2HB ARG 56 2HB ARG 56 -3.716 -26.570 -21.229 373 1HG ARG 56 1HG ARG 56 -2.520 -28.453 -19.441 374 2HG ARG 56 2HG ARG 56 -4.249 -28.718 -19.336 375 1HD ARG 56 1HD ARG 56 -4.194 -28.625 -21.972 376 2HD ARG 56 2HD ARG 56 -2.469 -28.880 -21.793 377 HE ARG 56 HE ARG 56 -3.491 -30.858 -20.190 378 1HH1 ARG 56 2HH2 ARG 56 -4.218 -29.884 -23.493 379 2HH1 ARG 56 1HH2 ARG 56 -4.682 -31.476 -23.995 380 1HH2 ARG 56 2HH1 ARG 56 -4.103 -32.957 -20.853 381 2HH2 ARG 56 1HH1 ARG 56 -4.616 -33.235 -22.483 382 H THR 57 H THR 57 -2.451 -23.863 -17.976 383 HA THR 57 HA THR 57 -2.838 -22.062 -20.277 384 HB THR 57 HB THR 57 -3.888 -21.888 -17.405 385 HG1 THR 57 HG1 THR 57 -4.994 -22.074 -20.119 386 1HG2 THR 57 1HG2 THR 57 -4.784 -19.758 -17.912 387 2HG2 THR 57 2HG2 THR 57 -3.182 -19.654 -18.679 388 3HG2 THR 57 3HG2 THR 57 -4.620 -20.004 -19.667 389 H VAL 58 H VAL 58 -1.374 -20.473 -20.598 390 HA VAL 58 HA VAL 58 0.914 -20.513 -18.814 391 HB VAL 58 HB VAL 58 2.015 -19.269 -20.563 392 1HG1 VAL 58 1HG1 VAL 58 1.996 -20.925 -22.314 393 2HG1 VAL 58 2HG1 VAL 58 1.774 -21.754 -20.755 394 3HG1 VAL 58 3HG1 VAL 58 0.380 -21.490 -21.829 395 1HG2 VAL 58 1HG2 VAL 58 0.934 -18.525 -22.580 396 2HG2 VAL 58 2HG2 VAL 58 -0.607 -19.269 -22.091 397 3HG2 VAL 58 3HG2 VAL 58 0.030 -17.870 -21.193 398 H LEU 59 H LEU 59 1.615 -18.761 -17.572 399 HA LEU 59 HA LEU 59 -0.305 -16.540 -17.445 400 1HB LEU 59 1HB LEU 59 1.147 -18.067 -15.315 401 2HB LEU 59 2HB LEU 59 0.699 -16.396 -15.039 402 HG LEU 59 HG LEU 59 -0.897 -18.146 -14.165 403 1HD1 LEU 59 1HD1 LEU 59 -2.915 -16.866 -15.437 404 2HD1 LEU 59 2HD1 LEU 59 -1.976 -16.172 -14.094 405 3HD1 LEU 59 3HD1 LEU 59 -1.564 -15.758 -15.776 406 1HD2 LEU 59 1HD2 LEU 59 -0.731 -19.636 -16.164 407 2HD2 LEU 59 2HD2 LEU 59 -2.397 -19.271 -15.654 408 3HD2 LEU 59 3HD2 LEU 59 -1.699 -18.447 -17.069 409 H ASP 60 H ASP 60 0.477 -14.633 -18.147 410 HA ASP 60 HA ASP 60 3.226 -14.028 -17.560 411 1HB ASP 60 1HB ASP 60 2.815 -15.116 -19.982 412 2HB ASP 60 2HB ASP 60 2.276 -13.496 -20.379 413 H LEU 61 H LEU 61 3.020 -11.771 -19.652 414 HA LEU 61 HA LEU 61 1.401 -10.008 -18.012 415 1HB LEU 61 1HB LEU 61 3.107 -9.210 -20.353 416 2HB LEU 61 2HB LEU 61 2.586 -8.239 -18.991 417 HG LEU 61 HG LEU 61 4.299 -10.595 -18.370 418 1HD1 LEU 61 1HD1 LEU 61 5.853 -10.080 -19.888 419 2HD1 LEU 61 2HD1 LEU 61 5.105 -8.508 -20.261 420 3HD1 LEU 61 3HD1 LEU 61 6.197 -8.665 -18.864 421 1HD2 LEU 61 1HD2 LEU 61 3.344 -8.899 -16.714 422 2HD2 LEU 61 2HD2 LEU 61 5.081 -9.268 -16.599 423 3HD2 LEU 61 3HD2 LEU 61 4.541 -7.758 -17.371 424 H SER 62 H SER 62 1.645 -11.270 -21.376 425 HA SER 62 HA SER 62 -0.692 -9.773 -22.099 426 1HB SER 62 1HB SER 62 -0.349 -10.919 -24.334 427 2HB SER 62 2HB SER 62 1.008 -9.950 -23.795 428 HG SER 62 HG SER 62 1.225 -12.545 -22.858 429 H LEU 63 H LEU 63 -1.198 -11.534 -19.940 430 HA LEU 63 HA LEU 63 -3.041 -13.385 -21.244 431 1HB LEU 63 1HB LEU 63 -1.014 -14.096 -19.128 432 2HB LEU 63 2HB LEU 63 -2.450 -15.056 -19.426 433 HG LEU 63 HG LEU 63 -0.701 -16.119 -20.591 434 1HD1 LEU 63 1HD1 LEU 63 -2.945 -15.257 -21.896 435 2HD1 LEU 63 2HD1 LEU 63 -1.652 -14.727 -22.999 436 3HD1 LEU 63 3HD1 LEU 63 -1.775 -16.440 -22.529 437 1HD2 LEU 63 1HD2 LEU 63 0.297 -14.273 -22.478 438 2HD2 LEU 63 2HD2 LEU 63 0.334 -13.455 -20.898 439 3HD2 LEU 63 3HD2 LEU 63 1.154 -15.021 -21.109 440 H GLN 64 H GLN 64 -4.856 -12.171 -20.761 441 HA GLN 64 HA GLN 64 -5.110 -11.084 -18.131 442 1HB GLN 64 1HB GLN 64 -7.011 -11.139 -20.515 443 2HB GLN 64 2HB GLN 64 -7.354 -10.305 -19.013 444 1HG GLN 64 1HG GLN 64 -6.216 -8.509 -19.795 445 2HG GLN 64 2HG GLN 64 -4.743 -9.457 -19.740 446 1HE2 GLN 64 2HE2 GLN 64 -3.657 -9.397 -21.539 447 2HE2 GLN 64 1HE2 GLN 64 -4.284 -9.372 -23.154 448 H TRP 65 H TRP 65 -6.738 -11.680 -16.565 449 HA TRP 65 HA TRP 65 -7.135 -14.443 -16.343 450 1HB TRP 65 1HB TRP 65 -6.967 -12.990 -14.419 451 2HB TRP 65 2HB TRP 65 -8.409 -12.117 -14.896 452 HD1 TRP 65 HD1 TRP 65 -10.472 -14.434 -15.405 453 HE1 TRP 65 HE1 TRP 65 -11.371 -16.037 -13.511 454 HE3 TRP 65 HE3 TRP 65 -6.578 -13.711 -12.217 455 HZ2 TRP 65 HZ2 TRP 65 -10.374 -16.805 -10.950 456 HZ3 TRP 65 HZ3 TRP 65 -6.618 -14.926 -10.040 457 HH2 TRP 65 HH2 TRP 65 -8.431 -16.429 -9.387 458 H ARG 66 H ARG 66 -9.180 -11.694 -17.472 459 HA ARG 66 HA ARG 66 -11.543 -13.042 -17.659 460 1HB ARG 66 1HB ARG 66 -12.221 -11.282 -19.236 461 2HB ARG 66 2HB ARG 66 -11.220 -10.568 -17.987 462 1HG ARG 66 1HG ARG 66 -9.248 -10.624 -19.475 463 2HG ARG 66 2HG ARG 66 -10.163 -11.467 -20.709 464 1HD ARG 66 1HD ARG 66 -10.597 -9.385 -21.550 465 2HD ARG 66 2HD ARG 66 -11.780 -9.262 -20.264 466 HE ARG 66 HE ARG 66 -9.081 -8.515 -19.408 467 1HH1 ARG 66 2HH2 ARG 66 -12.048 -7.358 -20.905 468 2HH1 ARG 66 1HH2 ARG 66 -11.763 -5.701 -20.490 469 1HH2 ARG 66 2HH1 ARG 66 -8.704 -6.328 -18.860 470 2HH2 ARG 66 1HH1 ARG 66 -9.848 -5.111 -19.319 471 H PHE 67 H PHE 67 -8.604 -13.534 -19.407 472 HA PHE 67 HA PHE 67 -10.057 -14.921 -21.546 473 1HB PHE 67 1HB PHE 67 -7.351 -13.531 -21.249 474 2HB PHE 67 2HB PHE 67 -7.554 -14.736 -22.504 475 HD1 PHE 67 HD1 PHE 67 -10.366 -14.150 -23.334 476 HD2 PHE 67 HD2 PHE 67 -7.126 -11.550 -22.467 477 HE1 PHE 67 HE1 PHE 67 -11.358 -12.409 -24.846 478 HE2 PHE 67 HE2 PHE 67 -8.118 -9.809 -23.979 479 HZ PHE 67 HZ PHE 67 -10.222 -10.260 -25.150 480 H ALA 68 H ALA 68 -7.035 -15.088 -19.526 481 HA ALA 68 HA ALA 68 -6.542 -17.786 -20.128 482 1HB ALA 68 1HB ALA 68 -4.632 -16.908 -19.281 483 2HB ALA 68 2HB ALA 68 -5.506 -15.670 -18.347 484 3HB ALA 68 3HB ALA 68 -5.328 -17.316 -17.694 485 H ASN 69 H ASN 69 -8.911 -16.218 -18.142 486 HA ASN 69 HA ASN 69 -10.213 -16.896 -16.514 487 1HB ASN 69 1HB ASN 69 -11.416 -19.076 -17.027 488 2HB ASN 69 2HB ASN 69 -11.324 -17.991 -18.400 489 1HD2 ASN 69 2HD2 ASN 69 -10.618 -21.057 -17.166 490 2HD2 ASN 69 1HD2 ASN 69 -9.684 -21.697 -18.477 491 H LEU 70 H LEU 70 -8.816 -17.061 -14.650 492 HA LEU 70 HA LEU 70 -7.521 -19.646 -14.231 493 1HB LEU 70 1HB LEU 70 -7.196 -17.026 -12.762 494 2HB LEU 70 2HB LEU 70 -6.283 -18.492 -12.468 495 HG LEU 70 HG LEU 70 -6.265 -17.081 -15.142 496 1HD1 LEU 70 1HD1 LEU 70 -3.864 -16.692 -13.554 497 2HD1 LEU 70 2HD1 LEU 70 -4.865 -15.508 -14.429 498 3HD1 LEU 70 3HD1 LEU 70 -5.297 -15.987 -12.770 499 1HD2 LEU 70 1HD2 LEU 70 -4.288 -18.352 -15.590 500 2HD2 LEU 70 2HD2 LEU 70 -4.245 -18.981 -13.926 501 3HD2 LEU 70 3HD2 LEU 70 -5.550 -19.475 -15.031 502 HA PRO 71 HA PRO 71 -10.353 -20.761 -11.172 503 1HB PRO 71 1HB PRO 71 -8.839 -22.203 -9.413 504 2HB PRO 71 2HB PRO 71 -9.420 -22.852 -10.933 505 1HG PRO 71 1HG PRO 71 -6.691 -21.969 -10.218 506 2HG PRO 71 2HG PRO 71 -7.201 -22.994 -11.545 507 1HD PRO 71 1HD PRO 71 -6.447 -20.231 -11.701 508 2HD PRO 71 2HD PRO 71 -7.067 -21.223 -13.005 509 H ASN 72 H ASN 72 -10.923 -20.819 -8.753 510 HA ASN 72 HA ASN 72 -11.160 -18.409 -7.820 511 1HB ASN 72 1HB ASN 72 -10.611 -19.592 -5.423 512 2HB ASN 72 2HB ASN 72 -12.082 -19.917 -6.317 513 1HD2 ASN 72 2HD2 ASN 72 -9.826 -21.367 -4.606 514 2HD2 ASN 72 1HD2 ASN 72 -9.688 -22.912 -5.377 515 H ASN 73 H ASN 73 -8.731 -20.257 -5.924 516 HA ASN 73 HA ASN 73 -7.225 -17.999 -5.390 517 1HB ASN 73 1HB ASN 73 -7.087 -20.909 -4.859 518 2HB ASN 73 2HB ASN 73 -5.494 -20.199 -5.028 519 1HD2 ASN 73 2HD2 ASN 73 -5.161 -18.098 -3.853 520 2HD2 ASN 73 1HD2 ASN 73 -5.784 -17.964 -2.242 521 H ALA 74 H ALA 74 -7.597 -19.616 -8.294 522 HA ALA 74 HA ALA 74 -6.206 -20.177 -10.011 523 1HB ALA 74 1HB ALA 74 -5.229 -17.926 -10.879 524 2HB ALA 74 2HB ALA 74 -6.992 -18.058 -10.671 525 3HB ALA 74 3HB ALA 74 -6.012 -17.210 -9.451 526 H LYS 75 H LYS 75 -4.632 -21.644 -9.266 527 HA LYS 75 HA LYS 75 -2.248 -20.521 -8.048 528 1HB LYS 75 1HB LYS 75 -2.693 -23.437 -8.649 529 2HB LYS 75 2HB LYS 75 -1.717 -22.704 -7.392 530 1HG LYS 75 1HG LYS 75 -4.243 -21.688 -6.818 531 2HG LYS 75 2HG LYS 75 -4.629 -23.287 -7.423 532 1HD LYS 75 1HD LYS 75 -4.083 -24.110 -5.381 533 2HD LYS 75 2HD LYS 75 -2.411 -23.719 -5.733 534 1HE LYS 75 1HE LYS 75 -2.409 -22.068 -4.174 535 2HE LYS 75 2HE LYS 75 -3.786 -21.291 -4.928 536 1HZ LYS 75 1HZ LYS 75 -3.989 -23.580 -3.097 537 2HZ LYS 75 2HZ LYS 75 -4.213 -22.023 -2.660 538 3HZ LYS 75 3HZ LYS 75 -5.235 -22.728 -3.721 539 H LEU 76 H LEU 76 -0.446 -20.010 -9.174 540 HA LEU 76 HA LEU 76 -0.243 -21.137 -11.880 541 1HB LEU 76 1HB LEU 76 1.015 -18.526 -11.200 542 2HB LEU 76 2HB LEU 76 0.430 -19.129 -12.738 543 HG LEU 76 HG LEU 76 -1.123 -17.508 -12.303 544 1HD1 LEU 76 1HD1 LEU 76 -2.796 -19.269 -10.683 545 2HD1 LEU 76 2HD1 LEU 76 -3.028 -18.665 -12.341 546 3HD1 LEU 76 3HD1 LEU 76 -2.029 -20.110 -12.051 547 1HD2 LEU 76 1HD2 LEU 76 -1.712 -18.014 -9.459 548 2HD2 LEU 76 2HD2 LEU 76 -0.063 -17.435 -9.795 549 3HD2 LEU 76 3HD2 LEU 76 -1.466 -16.484 -10.336 550 H GLU 77 H GLU 77 1.923 -21.619 -12.641 551 HA GLU 77 HA GLU 77 3.643 -22.241 -10.385 552 1HB GLU 77 1HB GLU 77 4.094 -24.194 -11.440 553 2HB GLU 77 2HB GLU 77 2.769 -23.804 -12.518 554 1HG GLU 77 1HG GLU 77 4.379 -22.594 -14.027 555 2HG GLU 77 2HG GLU 77 5.696 -23.043 -12.961 556 H MET 78 H MET 78 5.630 -21.262 -10.131 557 HA MET 78 HA MET 78 6.241 -19.187 -12.015 558 1HB MET 78 1HB MET 78 6.522 -19.558 -9.232 559 2HB MET 78 2HB MET 78 8.169 -19.705 -9.812 560 1HG MET 78 1HG MET 78 7.488 -17.507 -11.224 561 2HG MET 78 2HG MET 78 6.318 -17.326 -9.932 562 1HE MET 78 1HE MET 78 9.730 -17.441 -11.169 563 2HE MET 78 2HE MET 78 9.658 -15.730 -10.685 564 3HE MET 78 3HE MET 78 10.793 -16.837 -9.875 565 H VAL 79 H VAL 79 7.935 -19.176 -13.483 566 HA VAL 79 HA VAL 79 9.990 -21.208 -13.224 567 HB VAL 79 HB VAL 79 9.596 -22.289 -15.211 568 1HG1 VAL 79 1HG1 VAL 79 6.821 -21.571 -14.205 569 2HG1 VAL 79 2HG1 VAL 79 7.211 -22.941 -15.272 570 3HG1 VAL 79 3HG1 VAL 79 7.854 -22.894 -13.613 571 1HG2 VAL 79 1HG2 VAL 79 9.437 -20.313 -16.641 572 2HG2 VAL 79 2HG2 VAL 79 8.137 -21.468 -17.023 573 3HG2 VAL 79 3HG2 VAL 79 7.780 -20.010 -16.067 574 HA PRO 80 HA PRO 80 12.197 -17.747 -14.626 575 1HB PRO 80 1HB PRO 80 14.676 -18.881 -14.823 576 2HB PRO 80 2HB PRO 80 14.009 -18.291 -13.314 577 1HG PRO 80 1HG PRO 80 14.319 -21.082 -14.237 578 2HG PRO 80 2HG PRO 80 14.064 -20.486 -12.609 579 1HD PRO 80 1HD PRO 80 12.109 -21.710 -14.314 580 2HD PRO 80 2HD PRO 80 11.828 -21.010 -12.732 581 H VAL 81 H VAL 81 12.447 -16.684 -16.505 582 HA VAL 81 HA VAL 81 13.704 -17.501 -18.694 583 HB VAL 81 HB VAL 81 12.251 -19.559 -18.521 584 1HG1 VAL 81 1HG1 VAL 81 10.004 -19.502 -18.701 585 2HG1 VAL 81 2HG1 VAL 81 10.179 -17.800 -18.212 586 3HG1 VAL 81 3HG1 VAL 81 10.032 -18.221 -19.936 587 1HG2 VAL 81 1HG2 VAL 81 13.104 -18.052 -20.786 588 2HG2 VAL 81 2HG2 VAL 81 12.877 -19.812 -20.645 589 3HG2 VAL 81 3HG2 VAL 81 11.528 -18.780 -21.180 590 H SER 82 H SER 82 11.567 -16.914 -20.716 591 HA SER 82 HA SER 82 10.877 -14.226 -19.838 592 1HB SER 82 1HB SER 82 11.624 -13.256 -21.900 593 2HB SER 82 2HB SER 82 12.939 -14.266 -21.333 594 HG SER 82 HG SER 82 10.995 -14.938 -23.373 595 H ARG 83 H ARG 83 9.306 -13.242 -21.719 596 HA ARG 83 HA ARG 83 7.022 -14.724 -21.587 597 1HB ARG 83 1HB ARG 83 6.155 -13.136 -23.352 598 2HB ARG 83 2HB ARG 83 6.979 -12.318 -22.040 599 1HG ARG 83 1HG ARG 83 9.067 -12.849 -23.818 600 2HG ARG 83 2HG ARG 83 7.728 -12.517 -24.899 601 1HD ARG 83 1HD ARG 83 7.612 -10.558 -22.794 602 2HD ARG 83 2HD ARG 83 9.280 -10.642 -23.324 603 HE ARG 83 HE ARG 83 7.008 -9.656 -24.876 604 1HH1 ARG 83 2HH2 ARG 83 10.234 -11.047 -25.093 605 2HH1 ARG 83 1HH2 ARG 83 10.543 -10.404 -26.671 606 1HH2 ARG 83 2HH1 ARG 83 7.416 -8.808 -26.958 607 2HH2 ARG 83 1HH1 ARG 83 8.930 -9.122 -27.739 608 H SER 84 H SER 84 6.052 -16.298 -22.904 609 HA SER 84 HA SER 84 7.752 -17.293 -25.023 610 1HB SER 84 1HB SER 84 7.064 -18.956 -23.398 611 2HB SER 84 2HB SER 84 5.382 -18.480 -23.525 612 HG SER 84 HG SER 84 6.354 -20.461 -24.802 613 H ARG 85 H ARG 85 7.322 -15.940 -26.811 614 HA ARG 85 HA ARG 85 4.662 -15.207 -27.410 615 1HB ARG 85 1HB ARG 85 5.671 -14.164 -29.434 616 2HB ARG 85 2HB ARG 85 6.585 -13.752 -27.997 617 1HG ARG 85 1HG ARG 85 8.449 -14.589 -28.975 618 2HG ARG 85 2HG ARG 85 7.724 -16.185 -28.939 619 1HD ARG 85 1HD ARG 85 7.341 -16.169 -31.189 620 2HD ARG 85 2HD ARG 85 6.609 -14.578 -31.131 621 HE ARG 85 HE ARG 85 9.485 -14.407 -30.791 622 1HH1 ARG 85 2HH2 ARG 85 6.970 -14.828 -33.216 623 2HH1 ARG 85 1HH2 ARG 85 7.930 -14.189 -34.508 624 1HH2 ARG 85 2HH1 ARG 85 10.753 -13.564 -32.496 625 2HH2 ARG 85 1HH1 ARG 85 10.097 -13.466 -34.096 Start of MODEL 8 1 H SER 10 H SER 10 -12.058 -12.947 -6.473 2 HA SER 10 HA SER 10 -11.138 -15.476 -7.597 3 1HB SER 10 1HB SER 10 -11.028 -12.632 -8.658 4 2HB SER 10 2HB SER 10 -9.965 -13.874 -9.289 5 HG SER 10 HG SER 10 -12.862 -13.959 -9.257 6 H ALA 11 H ALA 11 -8.975 -16.084 -7.255 7 HA ALA 11 HA ALA 11 -7.180 -14.119 -6.088 8 1HB ALA 11 1HB ALA 11 -6.913 -16.556 -4.589 9 2HB ALA 11 2HB ALA 11 -7.324 -14.928 -3.999 10 3HB ALA 11 3HB ALA 11 -8.614 -16.036 -4.524 11 H VAL 12 H VAL 12 -4.986 -14.573 -6.526 12 HA VAL 12 HA VAL 12 -4.583 -16.941 -8.222 13 HB VAL 12 HB VAL 12 -4.219 -14.148 -8.757 14 1HG1 VAL 12 1HG1 VAL 12 -1.868 -14.402 -9.743 15 2HG1 VAL 12 2HG1 VAL 12 -1.990 -14.193 -7.980 16 3HG1 VAL 12 3HG1 VAL 12 -1.692 -15.808 -8.666 17 1HG2 VAL 12 1HG2 VAL 12 -3.738 -16.678 -10.362 18 2HG2 VAL 12 2HG2 VAL 12 -5.201 -15.664 -10.348 19 3HG2 VAL 12 3HG2 VAL 12 -3.688 -15.034 -11.042 20 H SER 13 H SER 13 -2.669 -18.141 -7.900 21 HA SER 13 HA SER 13 -1.112 -17.263 -5.598 22 1HB SER 13 1HB SER 13 -2.626 -19.093 -4.915 23 2HB SER 13 2HB SER 13 -2.046 -20.097 -6.230 24 HG SER 13 HG SER 13 -0.321 -20.644 -5.078 25 H VAL 14 H VAL 14 1.146 -17.520 -5.795 26 HA VAL 14 HA VAL 14 2.033 -18.722 -8.328 27 HB VAL 14 HB VAL 14 3.648 -16.601 -7.022 28 1HG1 VAL 14 1HG1 VAL 14 2.982 -17.415 -9.863 29 2HG1 VAL 14 2HG1 VAL 14 3.904 -15.945 -9.467 30 3HG1 VAL 14 3HG1 VAL 14 4.540 -17.544 -9.012 31 1HG2 VAL 14 1HG2 VAL 14 2.256 -14.875 -8.336 32 2HG2 VAL 14 2HG2 VAL 14 0.963 -16.097 -8.312 33 3HG2 VAL 14 3HG2 VAL 14 1.610 -15.457 -6.783 34 H LEU 15 H LEU 15 3.177 -20.552 -8.003 35 HA LEU 15 HA LEU 15 4.487 -20.846 -5.399 36 1HB LEU 15 1HB LEU 15 4.167 -23.118 -5.543 37 2HB LEU 15 2HB LEU 15 2.685 -22.460 -6.207 38 HG LEU 15 HG LEU 15 4.076 -22.764 -8.498 39 1HD1 LEU 15 1HD1 LEU 15 4.934 -25.252 -7.077 40 2HD1 LEU 15 2HD1 LEU 15 5.594 -24.477 -8.538 41 3HD1 LEU 15 3HD1 LEU 15 5.936 -23.788 -6.933 42 1HD2 LEU 15 1HD2 LEU 15 2.369 -24.109 -8.962 43 2HD2 LEU 15 2HD2 LEU 15 2.906 -25.319 -7.772 44 3HD2 LEU 15 3HD2 LEU 15 1.883 -23.957 -7.256 45 H ALA 16 H ALA 16 6.584 -20.234 -5.434 46 HA ALA 16 HA ALA 16 8.042 -20.346 -7.921 47 1HB ALA 16 1HB ALA 16 9.421 -19.678 -5.373 48 2HB ALA 16 2HB ALA 16 9.408 -18.814 -6.929 49 3HB ALA 16 3HB ALA 16 8.045 -18.633 -5.800 50 HA PRO 17 HA PRO 17 9.692 -24.267 -7.020 51 1HB PRO 17 1HB PRO 17 11.440 -24.454 -9.112 52 2HB PRO 17 2HB PRO 17 9.736 -24.837 -9.251 53 1HG PRO 17 1HG PRO 17 11.183 -22.450 -10.221 54 2HG PRO 17 2HG PRO 17 9.610 -23.051 -10.704 55 1HD PRO 17 1HD PRO 17 10.140 -20.830 -8.968 56 2HD PRO 17 2HD PRO 17 8.570 -21.503 -9.358 57 H ASN 18 H ASN 18 11.268 -21.360 -6.763 58 HA ASN 18 HA ASN 18 13.815 -22.461 -6.182 59 1HB ASN 18 1HB ASN 18 14.446 -20.172 -5.647 60 2HB ASN 18 2HB ASN 18 13.379 -20.091 -7.035 61 1HD2 ASN 18 2HD2 ASN 18 11.985 -18.520 -6.940 62 2HD2 ASN 18 1HD2 ASN 18 11.190 -17.893 -5.535 63 H GLY 19 H GLY 19 10.939 -22.798 -4.632 64 1HA GLY 19 1HA GLY 19 10.686 -23.738 -2.525 65 2HA GLY 19 2HA GLY 19 12.195 -23.019 -1.999 66 H ARG 20 H ARG 20 10.143 -20.878 -3.835 67 HA ARG 20 HA ARG 20 9.343 -19.650 -1.320 68 1HB ARG 20 1HB ARG 20 10.383 -18.546 -3.905 69 2HB ARG 20 2HB ARG 20 9.094 -17.621 -3.162 70 1HG ARG 20 1HG ARG 20 11.569 -18.518 -1.622 71 2HG ARG 20 2HG ARG 20 11.489 -16.986 -2.468 72 1HD ARG 20 1HD ARG 20 9.945 -16.072 -0.973 73 2HD ARG 20 2HD ARG 20 9.211 -17.621 -0.608 74 HE ARG 20 HE ARG 20 10.808 -17.975 1.083 75 1HH1 ARG 20 2HH2 ARG 20 11.792 -15.265 -0.934 76 2HH1 ARG 20 1HH2 ARG 20 13.077 -14.780 0.121 77 1HH2 ARG 20 2HH1 ARG 20 12.504 -17.336 2.476 78 2HH2 ARG 20 1HH1 ARG 20 13.485 -15.966 2.074 79 H ARG 21 H ARG 21 7.165 -19.882 -0.925 80 HA ARG 21 HA ARG 21 5.460 -20.100 -3.271 81 1HB ARG 21 1HB ARG 21 5.632 -21.627 -0.813 82 2HB ARG 21 2HB ARG 21 4.059 -20.856 -0.864 83 1HG ARG 21 1HG ARG 21 3.409 -22.546 -2.239 84 2HG ARG 21 2HG ARG 21 4.369 -21.777 -3.487 85 1HD ARG 21 1HD ARG 21 6.091 -23.318 -3.314 86 2HD ARG 21 2HD ARG 21 5.908 -23.494 -1.580 87 HE ARG 21 HE ARG 21 3.602 -24.659 -2.498 88 1HH1 ARG 21 2HH2 ARG 21 6.976 -25.076 -3.405 89 2HH1 ARG 21 1HH2 ARG 21 6.778 -26.731 -3.877 90 1HH2 ARG 21 2HH1 ARG 21 3.339 -26.842 -3.121 91 2HH2 ARG 21 1HH1 ARG 21 4.695 -27.742 -3.714 92 H HIS 22 H HIS 22 4.262 -18.272 -3.696 93 HA HIS 22 HA HIS 22 3.197 -16.819 -1.412 94 1HB HIS 22 1HB HIS 22 3.829 -14.663 -2.402 95 2HB HIS 22 2HB HIS 22 5.222 -15.621 -1.944 96 HD1 HIS 22 HD1 HIS 22 5.851 -17.332 -4.298 97 HD2 HIS 22 HD2 HIS 22 4.425 -13.412 -4.742 98 HE1 HIS 22 HE1 HIS 22 6.563 -16.571 -6.628 99 H THR 23 H THR 23 1.123 -16.004 -1.757 100 HA THR 23 HA THR 23 0.035 -16.489 -4.454 101 HB THR 23 HB THR 23 -0.762 -18.173 -2.817 102 HG1 THR 23 HG1 THR 23 -2.690 -15.996 -3.195 103 1HG2 THR 23 1HG2 THR 23 -2.131 -15.943 -1.280 104 2HG2 THR 23 2HG2 THR 23 -1.817 -17.620 -0.772 105 3HG2 THR 23 3HG2 THR 23 -0.486 -16.438 -0.812 106 H VAL 24 H VAL 24 -1.006 -14.854 -5.457 107 HA VAL 24 HA VAL 24 -1.479 -12.459 -3.819 108 HB VAL 24 HB VAL 24 -0.415 -12.733 -6.632 109 1HG1 VAL 24 1HG1 VAL 24 -1.191 -10.169 -5.202 110 2HG1 VAL 24 2HG1 VAL 24 -0.507 -10.321 -6.838 111 3HG1 VAL 24 3HG1 VAL 24 -2.140 -10.942 -6.495 112 1HG2 VAL 24 1HG2 VAL 24 1.473 -12.830 -5.356 113 2HG2 VAL 24 2HG2 VAL 24 1.285 -11.061 -5.407 114 3HG2 VAL 24 3HG2 VAL 24 0.728 -11.974 -3.984 115 H LYS 25 H LYS 25 -3.542 -11.690 -3.829 116 HA LYS 25 HA LYS 25 -5.460 -13.149 -5.417 117 1HB LYS 25 1HB LYS 25 -7.109 -11.841 -4.080 118 2HB LYS 25 2HB LYS 25 -6.013 -12.812 -3.117 119 1HG LYS 25 1HG LYS 25 -4.806 -10.942 -2.341 120 2HG LYS 25 2HG LYS 25 -5.246 -9.951 -3.718 121 1HD LYS 25 1HD LYS 25 -7.730 -10.325 -2.714 122 2HD LYS 25 2HD LYS 25 -6.829 -10.561 -1.230 123 1HE LYS 25 1HE LYS 25 -5.989 -8.358 -1.219 124 2HE LYS 25 2HE LYS 25 -6.149 -8.173 -2.954 125 1HZ LYS 25 1HZ LYS 25 -8.087 -7.733 -0.910 126 2HZ LYS 25 2HZ LYS 25 -7.997 -7.100 -2.413 127 3HZ LYS 25 3HZ LYS 25 -8.674 -8.568 -2.185 128 H VAL 26 H VAL 26 -5.951 -12.559 -7.454 129 HA VAL 26 HA VAL 26 -5.697 -9.701 -8.092 130 HB VAL 26 HB VAL 26 -5.059 -10.289 -10.276 131 1HG1 VAL 26 1HG1 VAL 26 -3.150 -12.001 -9.845 132 2HG1 VAL 26 2HG1 VAL 26 -3.140 -10.457 -8.960 133 3HG1 VAL 26 3HG1 VAL 26 -3.699 -11.942 -8.153 134 1HG2 VAL 26 1HG2 VAL 26 -5.717 -13.182 -9.624 135 2HG2 VAL 26 2HG2 VAL 26 -6.687 -12.096 -10.648 136 3HG2 VAL 26 3HG2 VAL 26 -5.051 -12.575 -11.159 137 H THR 27 H THR 27 -7.212 -9.078 -10.007 138 HA THR 27 HA THR 27 -9.864 -10.058 -9.277 139 HB THR 27 HB THR 27 -9.699 -7.854 -11.217 140 HG1 THR 27 HG1 THR 27 -8.373 -7.717 -8.600 141 1HG2 THR 27 1HG2 THR 27 -10.365 -7.242 -8.391 142 2HG2 THR 27 2HG2 THR 27 -11.337 -6.981 -9.859 143 3HG2 THR 27 3HG2 THR 27 -11.332 -8.575 -9.066 144 HA PRO 28 HA PRO 28 -10.410 -12.264 -12.915 145 1HB PRO 28 1HB PRO 28 -13.123 -12.170 -13.227 146 2HB PRO 28 2HB PRO 28 -12.324 -13.260 -12.111 147 1HG PRO 28 1HG PRO 28 -13.822 -10.780 -11.526 148 2HG PRO 28 2HG PRO 28 -13.392 -12.085 -10.438 149 1HD PRO 28 1HD PRO 28 -12.133 -9.514 -10.617 150 2HD PRO 28 2HD PRO 28 -11.631 -10.859 -9.613 151 H SER 29 H SER 29 -11.079 -8.984 -12.770 152 HA SER 29 HA SER 29 -11.375 -8.973 -15.671 153 1HB SER 29 1HB SER 29 -12.469 -6.805 -15.455 154 2HB SER 29 2HB SER 29 -13.262 -7.947 -14.389 155 HG SER 29 HG SER 29 -11.201 -6.746 -13.038 156 H THR 30 H THR 30 -9.155 -8.596 -13.173 157 HA THR 30 HA THR 30 -7.749 -6.337 -14.351 158 HB THR 30 HB THR 30 -7.496 -8.047 -11.843 159 HG1 THR 30 HG1 THR 30 -7.620 -5.183 -12.470 160 1HG2 THR 30 1HG2 THR 30 -5.168 -7.497 -12.790 161 2HG2 THR 30 2HG2 THR 30 -5.621 -5.779 -12.678 162 3HG2 THR 30 3HG2 THR 30 -5.522 -6.771 -11.204 163 H VAL 31 H VAL 31 -5.817 -6.412 -15.449 164 HA VAL 31 HA VAL 31 -5.282 -8.914 -16.732 165 HB VAL 31 HB VAL 31 -3.756 -6.312 -16.893 166 1HG1 VAL 31 1HG1 VAL 31 -2.448 -7.509 -18.257 167 2HG1 VAL 31 2HG1 VAL 31 -3.570 -8.890 -18.241 168 3HG1 VAL 31 3HG1 VAL 31 -3.819 -7.554 -19.391 169 1HG2 VAL 31 1HG2 VAL 31 -5.442 -5.337 -17.982 170 2HG2 VAL 31 2HG2 VAL 31 -5.612 -6.733 -19.073 171 3HG2 VAL 31 3HG2 VAL 31 -6.474 -6.710 -17.516 172 H LEU 32 H LEU 32 -3.379 -10.183 -16.574 173 HA LEU 32 HA LEU 32 -2.283 -10.271 -13.971 174 1HB LEU 32 1HB LEU 32 -1.814 -11.740 -16.544 175 2HB LEU 32 2HB LEU 32 -0.736 -11.973 -15.182 176 HG LEU 32 HG LEU 32 -2.817 -13.545 -15.601 177 1HD1 LEU 32 1HD1 LEU 32 -1.095 -13.075 -13.495 178 2HD1 LEU 32 2HD1 LEU 32 -2.702 -12.976 -12.736 179 3HD1 LEU 32 3HD1 LEU 32 -2.234 -14.435 -13.641 180 1HD2 LEU 32 1HD2 LEU 32 -4.035 -11.294 -13.976 181 2HD2 LEU 32 2HD2 LEU 32 -4.508 -11.804 -15.614 182 3HD2 LEU 32 3HD2 LEU 32 -4.762 -12.898 -14.234 183 H LEU 33 H LEU 33 -1.520 -8.504 -16.880 184 HA LEU 33 HA LEU 33 1.236 -8.239 -16.553 185 1HB LEU 33 1HB LEU 33 1.113 -6.588 -18.170 186 2HB LEU 33 2HB LEU 33 -0.216 -7.667 -18.545 187 HG LEU 33 HG LEU 33 -1.631 -5.957 -17.124 188 1HD1 LEU 33 1HD1 LEU 33 -0.680 -3.600 -17.692 189 2HD1 LEU 33 2HD1 LEU 33 -0.092 -4.468 -16.253 190 3HD1 LEU 33 3HD1 LEU 33 0.888 -4.441 -17.739 191 1HD2 LEU 33 1HD2 LEU 33 -0.996 -4.716 -19.710 192 2HD2 LEU 33 2HD2 LEU 33 -1.314 -6.465 -19.796 193 3HD2 LEU 33 3HD2 LEU 33 -2.529 -5.373 -19.089 194 H GLN 34 H GLN 34 -1.552 -6.396 -15.199 195 HA GLN 34 HA GLN 34 0.070 -4.478 -13.969 196 1HB GLN 34 1HB GLN 34 -1.951 -3.737 -12.884 197 2HB GLN 34 2HB GLN 34 -2.397 -4.254 -14.498 198 1HG GLN 34 1HG GLN 34 -3.904 -5.677 -13.586 199 2HG GLN 34 2HG GLN 34 -2.579 -6.596 -12.899 200 1HE2 GLN 34 2HE2 GLN 34 -1.863 -6.174 -10.792 201 2HE2 GLN 34 1HE2 GLN 34 -2.860 -5.389 -9.613 202 H VAL 35 H VAL 35 -1.274 -7.649 -12.949 203 HA VAL 35 HA VAL 35 -0.464 -7.355 -10.240 204 HB VAL 35 HB VAL 35 -1.435 -9.387 -9.926 205 1HG1 VAL 35 1HG1 VAL 35 -3.449 -9.447 -11.100 206 2HG1 VAL 35 2HG1 VAL 35 -2.917 -7.762 -11.315 207 3HG1 VAL 35 3HG1 VAL 35 -2.692 -8.941 -12.629 208 1HG2 VAL 35 1HG2 VAL 35 0.265 -10.587 -11.334 209 2HG2 VAL 35 2HG2 VAL 35 -1.374 -11.278 -11.405 210 3HG2 VAL 35 3HG2 VAL 35 -0.770 -10.278 -12.749 211 H LEU 36 H LEU 36 0.850 -9.071 -13.147 212 HA LEU 36 HA LEU 36 3.044 -10.189 -11.857 213 1HB LEU 36 1HB LEU 36 2.030 -10.644 -14.166 214 2HB LEU 36 2HB LEU 36 3.000 -9.298 -14.731 215 HG LEU 36 HG LEU 36 4.239 -11.634 -13.274 216 1HD1 LEU 36 1HD1 LEU 36 4.803 -12.549 -15.538 217 2HD1 LEU 36 2HD1 LEU 36 3.083 -12.663 -15.091 218 3HD1 LEU 36 3HD1 LEU 36 3.625 -11.406 -16.229 219 1HD2 LEU 36 1HD2 LEU 36 5.577 -9.978 -15.384 220 2HD2 LEU 36 2HD2 LEU 36 5.385 -9.323 -13.740 221 3HD2 LEU 36 3HD2 LEU 36 6.275 -10.843 -13.994 222 H GLU 37 H GLU 37 2.621 -7.011 -13.526 223 HA GLU 37 HA GLU 37 5.284 -6.256 -13.159 224 1HB GLU 37 1HB GLU 37 2.778 -4.573 -13.596 225 2HB GLU 37 2HB GLU 37 4.412 -3.948 -13.694 226 1HG GLU 37 1HG GLU 37 3.859 -6.402 -15.321 227 2HG GLU 37 2HG GLU 37 3.039 -4.944 -15.843 228 H ASP 38 H ASP 38 2.293 -5.865 -11.211 229 HA ASP 38 HA ASP 38 3.246 -4.004 -9.435 230 1HB ASP 38 1HB ASP 38 1.063 -5.984 -9.570 231 2HB ASP 38 2HB ASP 38 1.610 -5.730 -7.924 232 H THR 39 H THR 39 3.132 -7.644 -9.218 233 HA THR 39 HA THR 39 4.579 -7.773 -6.792 234 HB THR 39 HB THR 39 2.996 -9.520 -7.680 235 HG1 THR 39 HG1 THR 39 5.818 -10.310 -7.497 236 1HG2 THR 39 1HG2 THR 39 5.157 -9.679 -9.802 237 2HG2 THR 39 2HG2 THR 39 4.332 -11.172 -9.293 238 3HG2 THR 39 3HG2 THR 39 3.393 -9.830 -9.990 239 H CYS 40 H CYS 40 5.526 -7.663 -10.225 240 HA CYS 40 HA CYS 40 8.162 -8.520 -9.793 241 1HB CYS 40 1HB CYS 40 6.724 -7.102 -12.017 242 2HB CYS 40 2HB CYS 40 8.476 -7.165 -12.040 243 HG CYS 40 HG CYS 40 7.919 -9.947 -11.119 244 H ARG 41 H ARG 41 6.431 -5.384 -9.637 245 HA ARG 41 HA ARG 41 8.718 -3.804 -9.542 246 1HB ARG 41 1HB ARG 41 7.121 -2.184 -9.650 247 2HB ARG 41 2HB ARG 41 5.895 -3.426 -9.492 248 1HG ARG 41 1HG ARG 41 5.478 -1.889 -7.700 249 2HG ARG 41 2HG ARG 41 6.222 -3.287 -6.950 250 1HD ARG 41 1HD ARG 41 8.411 -1.657 -7.694 251 2HD ARG 41 2HD ARG 41 7.210 -0.522 -7.112 252 HE ARG 41 HE ARG 41 8.707 -2.393 -5.501 253 1HH1 ARG 41 2HH2 ARG 41 5.538 -0.884 -5.761 254 2HH1 ARG 41 1HH2 ARG 41 5.192 -1.022 -4.069 255 1HH2 ARG 41 2HH1 ARG 41 8.251 -2.575 -3.269 256 2HH2 ARG 41 1HH1 ARG 41 6.746 -1.991 -2.642 257 H ARG 42 H ARG 42 6.552 -5.186 -6.979 258 HA ARG 42 HA ARG 42 8.096 -4.070 -4.904 259 1HB ARG 42 1HB ARG 42 6.688 -5.827 -3.525 260 2HB ARG 42 2HB ARG 42 5.858 -4.480 -4.278 261 1HG ARG 42 1HG ARG 42 6.014 -6.529 -6.268 262 2HG ARG 42 2HG ARG 42 5.540 -7.329 -4.782 263 1HD ARG 42 1HD ARG 42 4.170 -4.784 -5.760 264 2HD ARG 42 2HD ARG 42 3.630 -6.379 -6.245 265 HE ARG 42 HE ARG 42 3.719 -6.644 -3.522 266 1HH1 ARG 42 2HH2 ARG 42 2.316 -4.168 -5.592 267 2HH1 ARG 42 1HH2 ARG 42 1.058 -3.764 -4.472 268 1HH2 ARG 42 2HH1 ARG 42 2.059 -6.112 -2.044 269 2HH2 ARG 42 1HH1 ARG 42 0.911 -4.877 -2.441 270 H GLN 43 H GLN 43 7.917 -7.216 -6.621 271 HA GLN 43 HA GLN 43 9.885 -8.318 -4.819 272 1HB GLN 43 1HB GLN 43 9.196 -10.400 -5.538 273 2HB GLN 43 2HB GLN 43 7.739 -9.498 -5.905 274 1HG GLN 43 1HG GLN 43 8.681 -9.109 -8.256 275 2HG GLN 43 2HG GLN 43 9.975 -10.220 -7.852 276 1HE2 GLN 43 2HE2 GLN 43 6.985 -9.918 -9.212 277 2HE2 GLN 43 1HE2 GLN 43 6.426 -11.557 -9.156 278 H ASP 44 H ASP 44 10.092 -6.152 -7.197 279 HA ASP 44 HA ASP 44 11.436 -5.696 -8.872 280 1HB ASP 44 1HB ASP 44 13.899 -6.021 -8.280 281 2HB ASP 44 2HB ASP 44 12.942 -5.182 -7.075 282 H PHE 45 H PHE 45 10.291 -7.627 -10.085 283 HA PHE 45 HA PHE 45 12.364 -9.568 -10.826 284 1HB PHE 45 1HB PHE 45 9.545 -9.824 -9.863 285 2HB PHE 45 2HB PHE 45 9.832 -10.713 -11.346 286 HD1 PHE 45 HD1 PHE 45 9.692 -12.922 -10.546 287 HD2 PHE 45 HD2 PHE 45 12.291 -10.171 -8.626 288 HE1 PHE 45 HE1 PHE 45 10.704 -14.800 -9.223 289 HE2 PHE 45 HE2 PHE 45 13.303 -12.049 -7.304 290 HZ PHE 45 HZ PHE 45 12.497 -14.341 -7.618 291 H ASN 46 H ASN 46 12.090 -10.458 -13.060 292 HA ASN 46 HA ASN 46 10.714 -8.504 -14.732 293 1HB ASN 46 1HB ASN 46 13.452 -9.768 -14.948 294 2HB ASN 46 2HB ASN 46 12.596 -9.446 -16.443 295 1HD2 ASN 46 2HD2 ASN 46 13.013 -7.587 -17.333 296 2HD2 ASN 46 1HD2 ASN 46 13.451 -6.109 -16.542 297 HA PRO 47 HA PRO 47 8.790 -12.087 -16.385 298 1HB PRO 47 1HB PRO 47 7.790 -11.098 -18.728 299 2HB PRO 47 2HB PRO 47 7.008 -10.863 -17.177 300 1HG PRO 47 1HG PRO 47 8.564 -8.927 -18.780 301 2HG PRO 47 2HG PRO 47 7.439 -8.617 -17.473 302 1HD PRO 47 1HD PRO 47 10.302 -8.532 -17.329 303 2HD PRO 47 2HD PRO 47 9.179 -8.337 -15.998 304 H SER 48 H SER 48 11.032 -10.362 -18.422 305 HA SER 48 HA SER 48 11.289 -12.408 -20.288 306 1HB SER 48 1HB SER 48 12.045 -9.962 -20.473 307 2HB SER 48 2HB SER 48 13.439 -10.397 -19.505 308 HG SER 48 HG SER 48 13.084 -10.716 -22.175 309 H GLU 49 H GLU 49 12.075 -12.344 -16.993 310 HA GLU 49 HA GLU 49 14.092 -14.406 -17.428 311 1HB GLU 49 1HB GLU 49 13.984 -12.231 -15.305 312 2HB GLU 49 2HB GLU 49 14.962 -13.671 -15.100 313 1HG GLU 49 1HG GLU 49 15.366 -12.487 -17.759 314 2HG GLU 49 2HG GLU 49 15.687 -11.319 -16.492 315 H TYR 50 H TYR 50 10.945 -13.820 -16.582 316 HA TYR 50 HA TYR 50 10.848 -16.258 -14.997 317 1HB TYR 50 1HB TYR 50 9.803 -13.454 -14.280 318 2HB TYR 50 2HB TYR 50 9.173 -14.889 -13.497 319 HD1 TYR 50 HD1 TYR 50 11.070 -12.276 -12.727 320 HD2 TYR 50 HD2 TYR 50 11.527 -16.523 -12.973 321 HE1 TYR 50 HE1 TYR 50 12.954 -12.180 -11.022 322 HE2 TYR 50 HE2 TYR 50 13.410 -16.412 -11.268 323 HH TYR 50 HH TYR 50 14.479 -15.157 -9.851 324 H ASP 51 H ASP 51 8.993 -17.470 -15.372 325 HA ASP 51 HA ASP 51 6.983 -16.155 -17.017 326 1HB ASP 51 1HB ASP 51 8.543 -18.666 -17.509 327 2HB ASP 51 2HB ASP 51 6.832 -18.752 -17.879 328 H LEU 52 H LEU 52 4.788 -16.997 -16.656 329 HA LEU 52 HA LEU 52 4.596 -18.805 -14.348 330 1HB LEU 52 1HB LEU 52 2.688 -16.551 -14.946 331 2HB LEU 52 2HB LEU 52 2.755 -17.559 -13.513 332 HG LEU 52 HG LEU 52 5.183 -16.522 -13.283 333 1HD1 LEU 52 1HD1 LEU 52 5.646 -15.061 -14.910 334 2HD1 LEU 52 2HD1 LEU 52 3.939 -14.905 -15.390 335 3HD1 LEU 52 3HD1 LEU 52 4.571 -13.950 -14.027 336 1HD2 LEU 52 1HD2 LEU 52 3.419 -16.330 -11.620 337 2HD2 LEU 52 2HD2 LEU 52 4.244 -14.768 -11.840 338 3HD2 LEU 52 3HD2 LEU 52 2.641 -15.037 -12.564 339 H LYS 53 H LYS 53 3.219 -20.539 -14.553 340 HA LYS 53 HA LYS 53 1.292 -20.524 -16.709 341 1HB LYS 53 1HB LYS 53 3.247 -21.279 -17.902 342 2HB LYS 53 2HB LYS 53 3.636 -22.442 -16.651 343 1HG LYS 53 1HG LYS 53 1.311 -23.492 -17.103 344 2HG LYS 53 2HG LYS 53 1.241 -22.483 -18.534 345 1HD LYS 53 1HD LYS 53 2.309 -24.213 -19.574 346 2HD LYS 53 2HD LYS 53 3.756 -23.587 -18.809 347 1HE LYS 53 1HE LYS 53 2.538 -25.155 -16.797 348 2HE LYS 53 2HE LYS 53 2.298 -26.082 -18.264 349 1HZ LYS 53 1HZ LYS 53 4.457 -26.503 -18.396 350 2HZ LYS 53 2HZ LYS 53 4.913 -24.974 -18.045 351 3HZ LYS 53 3HZ LYS 53 4.559 -26.018 -16.840 352 H PHE 54 H PHE 54 -0.444 -21.943 -16.324 353 HA PHE 54 HA PHE 54 -0.229 -23.476 -13.833 354 1HB PHE 54 1HB PHE 54 -1.634 -21.740 -13.101 355 2HB PHE 54 2HB PHE 54 -2.051 -21.271 -14.737 356 HD1 PHE 54 HD1 PHE 54 -4.256 -21.522 -15.334 357 HD2 PHE 54 HD2 PHE 54 -2.623 -24.186 -12.462 358 HE1 PHE 54 HE1 PHE 54 -6.499 -22.618 -15.076 359 HE2 PHE 54 HE2 PHE 54 -4.867 -25.282 -12.204 360 HZ PHE 54 HZ PHE 54 -6.778 -24.485 -13.514 361 H GLN 55 H GLN 55 -0.468 -25.601 -14.331 362 HA GLN 55 HA GLN 55 -1.164 -27.434 -15.262 363 1HB GLN 55 1HB GLN 55 -3.675 -25.762 -15.615 364 2HB GLN 55 2HB GLN 55 -3.619 -27.434 -16.136 365 1HG GLN 55 1HG GLN 55 -2.616 -26.869 -13.363 366 2HG GLN 55 2HG GLN 55 -4.340 -26.685 -13.618 367 1HE2 GLN 55 2HE2 GLN 55 -2.486 -28.696 -12.251 368 2HE2 GLN 55 1HE2 GLN 55 -3.056 -30.249 -12.764 369 H ARG 56 H ARG 56 -3.366 -26.083 -17.613 370 HA ARG 56 HA ARG 56 -1.319 -26.532 -19.630 371 1HB ARG 56 1HB ARG 56 -4.347 -26.872 -19.661 372 2HB ARG 56 2HB ARG 56 -3.444 -26.762 -21.159 373 1HG ARG 56 1HG ARG 56 -2.182 -28.752 -20.677 374 2HG ARG 56 2HG ARG 56 -2.649 -28.740 -18.988 375 1HD ARG 56 1HD ARG 56 -5.129 -28.856 -20.169 376 2HD ARG 56 2HD ARG 56 -4.178 -29.703 -21.372 377 HE ARG 56 HE ARG 56 -4.854 -30.668 -18.716 378 1HH1 ARG 56 2HH2 ARG 56 -2.397 -30.835 -21.230 379 2HH1 ARG 56 1HH2 ARG 56 -1.812 -32.388 -20.733 380 1HH2 ARG 56 2HH1 ARG 56 -4.082 -32.716 -18.060 381 2HH2 ARG 56 1HH1 ARG 56 -2.777 -33.465 -18.918 382 H THR 57 H THR 57 -2.245 -24.026 -17.955 383 HA THR 57 HA THR 57 -2.695 -22.279 -20.287 384 HB THR 57 HB THR 57 -3.744 -22.137 -17.416 385 HG1 THR 57 HG1 THR 57 -5.293 -21.801 -19.789 386 1HG2 THR 57 1HG2 THR 57 -3.268 -19.829 -18.058 387 2HG2 THR 57 2HG2 THR 57 -3.865 -20.116 -19.711 388 3HG2 THR 57 3HG2 THR 57 -5.004 -20.105 -18.343 389 H VAL 58 H VAL 58 -1.331 -20.590 -20.619 390 HA VAL 58 HA VAL 58 0.999 -20.550 -18.884 391 HB VAL 58 HB VAL 58 2.082 -19.415 -20.650 392 1HG1 VAL 58 1HG1 VAL 58 1.866 -20.956 -22.493 393 2HG1 VAL 58 2HG1 VAL 58 1.632 -21.855 -20.975 394 3HG1 VAL 58 3HG1 VAL 58 0.227 -21.418 -21.977 395 1HG2 VAL 58 1HG2 VAL 58 -0.571 -19.113 -22.091 396 2HG2 VAL 58 2HG2 VAL 58 0.192 -17.828 -21.125 397 3HG2 VAL 58 3HG2 VAL 58 1.011 -18.457 -22.575 398 H LEU 59 H LEU 59 1.656 -18.760 -17.671 399 HA LEU 59 HA LEU 59 -0.320 -16.587 -17.566 400 1HB LEU 59 1HB LEU 59 1.123 -18.068 -15.393 401 2HB LEU 59 2HB LEU 59 0.605 -16.413 -15.140 402 HG LEU 59 HG LEU 59 -0.947 -18.218 -14.296 403 1HD1 LEU 59 1HD1 LEU 59 -1.499 -15.735 -15.536 404 2HD1 LEU 59 2HD1 LEU 59 -2.794 -16.857 -16.018 405 3HD1 LEU 59 3HD1 LEU 59 -2.447 -16.587 -14.293 406 1HD2 LEU 59 1HD2 LEU 59 -0.616 -19.629 -16.410 407 2HD2 LEU 59 2HD2 LEU 59 -2.260 -19.512 -15.739 408 3HD2 LEU 59 3HD2 LEU 59 -1.811 -18.548 -17.167 409 H ASP 60 H ASP 60 0.460 -14.696 -18.312 410 HA ASP 60 HA ASP 60 3.202 -14.067 -17.674 411 1HB ASP 60 1HB ASP 60 2.773 -15.105 -20.118 412 2HB ASP 60 2HB ASP 60 2.237 -13.475 -20.474 413 H LEU 61 H LEU 61 2.909 -11.792 -19.781 414 HA LEU 61 HA LEU 61 1.353 -10.046 -18.062 415 1HB LEU 61 1HB LEU 61 3.063 -9.347 -20.448 416 2HB LEU 61 2HB LEU 61 2.423 -8.249 -19.241 417 HG LEU 61 HG LEU 61 4.140 -10.428 -18.192 418 1HD1 LEU 61 1HD1 LEU 61 6.218 -9.540 -18.917 419 2HD1 LEU 61 2HD1 LEU 61 5.221 -9.769 -20.374 420 3HD1 LEU 61 3HD1 LEU 61 5.434 -8.140 -19.688 421 1HD2 LEU 61 1HD2 LEU 61 4.150 -9.061 -16.448 422 2HD2 LEU 61 2HD2 LEU 61 4.942 -7.798 -17.420 423 3HD2 LEU 61 3HD2 LEU 61 3.165 -7.891 -17.359 424 H SER 62 H SER 62 1.424 -11.368 -21.400 425 HA SER 62 HA SER 62 -0.917 -9.846 -22.059 426 1HB SER 62 1HB SER 62 -0.698 -11.067 -24.272 427 2HB SER 62 2HB SER 62 0.694 -10.099 -23.828 428 HG SER 62 HG SER 62 0.717 -12.658 -24.489 429 H LEU 63 H LEU 63 -1.329 -11.556 -19.826 430 HA LEU 63 HA LEU 63 -3.224 -13.451 -21.005 431 1HB LEU 63 1HB LEU 63 -1.236 -14.011 -18.805 432 2HB LEU 63 2HB LEU 63 -2.641 -15.011 -19.117 433 HG LEU 63 HG LEU 63 -0.757 -16.057 -20.131 434 1HD1 LEU 63 1HD1 LEU 63 -1.979 -14.814 -22.560 435 2HD1 LEU 63 2HD1 LEU 63 -1.635 -16.521 -22.191 436 3HD1 LEU 63 3HD1 LEU 63 -3.027 -15.711 -21.435 437 1HD2 LEU 63 1HD2 LEU 63 -0.037 -14.038 -22.111 438 2HD2 LEU 63 2HD2 LEU 63 0.260 -13.501 -20.440 439 3HD2 LEU 63 3HD2 LEU 63 0.992 -15.011 -21.033 440 H GLN 64 H GLN 64 -5.078 -12.299 -20.593 441 HA GLN 64 HA GLN 64 -5.326 -11.063 -18.005 442 1HB GLN 64 1HB GLN 64 -7.230 -11.093 -20.389 443 2HB GLN 64 2HB GLN 64 -7.446 -10.132 -18.940 444 1HG GLN 64 1HG GLN 64 -6.291 -8.511 -20.056 445 2HG GLN 64 2HG GLN 64 -4.863 -9.442 -19.650 446 1HE2 GLN 64 2HE2 GLN 64 -6.061 -7.807 -22.039 447 2HE2 GLN 64 1HE2 GLN 64 -5.619 -8.734 -23.434 448 H TRP 65 H TRP 65 -6.956 -11.609 -16.451 449 HA TRP 65 HA TRP 65 -7.511 -14.348 -16.259 450 1HB TRP 65 1HB TRP 65 -7.264 -12.939 -14.315 451 2HB TRP 65 2HB TRP 65 -8.640 -11.962 -14.788 452 HD1 TRP 65 HD1 TRP 65 -10.873 -14.092 -15.318 453 HE1 TRP 65 HE1 TRP 65 -11.885 -15.663 -13.455 454 HE3 TRP 65 HE3 TRP 65 -6.914 -13.756 -12.144 455 HZ2 TRP 65 HZ2 TRP 65 -10.937 -16.569 -10.920 456 HZ3 TRP 65 HZ3 TRP 65 -7.038 -15.015 -9.996 457 HH2 TRP 65 HH2 TRP 65 -8.961 -16.385 -9.364 458 H ARG 66 H ARG 66 -9.349 -11.486 -17.434 459 HA ARG 66 HA ARG 66 -11.797 -12.722 -17.627 460 1HB ARG 66 1HB ARG 66 -12.389 -10.881 -19.153 461 2HB ARG 66 2HB ARG 66 -11.391 -10.256 -17.855 462 1HG ARG 66 1HG ARG 66 -9.400 -10.273 -19.291 463 2HG ARG 66 2HG ARG 66 -10.272 -11.098 -20.567 464 1HD ARG 66 1HD ARG 66 -10.420 -8.890 -21.321 465 2HD ARG 66 2HD ARG 66 -11.916 -9.009 -20.416 466 HE ARG 66 HE ARG 66 -9.688 -8.144 -18.743 467 1HH1 ARG 66 2HH2 ARG 66 -12.119 -7.044 -21.038 468 2HH1 ARG 66 1HH2 ARG 66 -12.116 -5.413 -20.454 469 1HH2 ARG 66 2HH1 ARG 66 -9.684 -5.993 -17.972 470 2HH2 ARG 66 1HH1 ARG 66 -10.722 -4.811 -18.699 471 H PHE 67 H PHE 67 -8.882 -13.371 -19.303 472 HA PHE 67 HA PHE 67 -10.372 -14.589 -21.521 473 1HB PHE 67 1HB PHE 67 -7.616 -13.309 -21.182 474 2HB PHE 67 2HB PHE 67 -7.870 -14.459 -22.479 475 HD1 PHE 67 HD1 PHE 67 -10.672 -13.724 -23.254 476 HD2 PHE 67 HD2 PHE 67 -7.303 -11.306 -22.351 477 HE1 PHE 67 HE1 PHE 67 -11.600 -11.892 -24.697 478 HE2 PHE 67 HE2 PHE 67 -8.231 -9.474 -23.794 479 HZ PHE 67 HZ PHE 67 -10.368 -9.789 -24.951 480 H ALA 68 H ALA 68 -7.219 -14.932 -19.730 481 HA ALA 68 HA ALA 68 -6.918 -17.636 -20.338 482 1HB ALA 68 1HB ALA 68 -5.869 -16.102 -17.926 483 2HB ALA 68 2HB ALA 68 -5.175 -17.577 -18.643 484 3HB ALA 68 3HB ALA 68 -5.144 -16.046 -19.551 485 H ASN 69 H ASN 69 -9.133 -16.006 -18.242 486 HA ASN 69 HA ASN 69 -10.409 -16.647 -16.583 487 1HB ASN 69 1HB ASN 69 -11.648 -18.833 -17.027 488 2HB ASN 69 2HB ASN 69 -11.612 -17.743 -18.399 489 1HD2 ASN 69 2HD2 ASN 69 -10.884 -20.820 -17.218 490 2HD2 ASN 69 1HD2 ASN 69 -10.008 -21.459 -18.568 491 H LEU 70 H LEU 70 -8.820 -16.780 -14.835 492 HA LEU 70 HA LEU 70 -7.508 -19.328 -14.422 493 1HB LEU 70 1HB LEU 70 -7.383 -16.744 -12.861 494 2HB LEU 70 2HB LEU 70 -6.393 -18.162 -12.576 495 HG LEU 70 HG LEU 70 -4.892 -17.072 -13.839 496 1HD1 LEU 70 1HD1 LEU 70 -6.718 -18.007 -16.069 497 2HD1 LEU 70 2HD1 LEU 70 -5.002 -17.567 -16.242 498 3HD1 LEU 70 3HD1 LEU 70 -5.465 -18.970 -15.250 499 1HD2 LEU 70 1HD2 LEU 70 -5.926 -15.456 -15.769 500 2HD2 LEU 70 2HD2 LEU 70 -7.214 -15.397 -14.542 501 3HD2 LEU 70 3HD2 LEU 70 -5.549 -14.942 -14.107 502 HA PRO 71 HA PRO 71 -10.321 -20.759 -11.481 503 1HB PRO 71 1HB PRO 71 -8.750 -22.220 -9.788 504 2HB PRO 71 2HB PRO 71 -9.284 -22.811 -11.349 505 1HG PRO 71 1HG PRO 71 -6.610 -21.831 -10.554 506 2HG PRO 71 2HG PRO 71 -7.055 -22.803 -11.943 507 1HD PRO 71 1HD PRO 71 -6.444 -20.001 -11.935 508 2HD PRO 71 2HD PRO 71 -7.000 -20.948 -13.300 509 H ASN 72 H ASN 72 -10.910 -20.983 -9.077 510 HA ASN 72 HA ASN 72 -11.254 -18.625 -8.020 511 1HB ASN 72 1HB ASN 72 -10.745 -19.932 -5.684 512 2HB ASN 72 2HB ASN 72 -12.177 -20.250 -6.643 513 1HD2 ASN 72 2HD2 ASN 72 -12.193 -22.016 -8.110 514 2HD2 ASN 72 1HD2 ASN 72 -11.194 -23.408 -7.860 515 H ASN 73 H ASN 73 -8.814 -20.539 -6.197 516 HA ASN 73 HA ASN 73 -7.388 -18.282 -5.468 517 1HB ASN 73 1HB ASN 73 -7.471 -20.885 -4.617 518 2HB ASN 73 2HB ASN 73 -5.972 -20.939 -5.524 519 1HD2 ASN 73 2HD2 ASN 73 -4.174 -20.225 -4.630 520 2HD2 ASN 73 1HD2 ASN 73 -4.039 -19.317 -3.161 521 H ALA 74 H ALA 74 -7.649 -19.701 -8.486 522 HA ALA 74 HA ALA 74 -6.198 -20.112 -10.198 523 1HB ALA 74 1HB ALA 74 -5.299 -17.789 -10.918 524 2HB ALA 74 2HB ALA 74 -7.058 -17.976 -10.722 525 3HB ALA 74 3HB ALA 74 -6.101 -17.179 -9.451 526 H LYS 75 H LYS 75 -4.651 -21.589 -9.277 527 HA LYS 75 HA LYS 75 -2.284 -20.393 -8.098 528 1HB LYS 75 1HB LYS 75 -1.641 -22.744 -7.666 529 2HB LYS 75 2HB LYS 75 -3.189 -22.313 -6.966 530 1HG LYS 75 1HG LYS 75 -3.491 -23.325 -9.714 531 2HG LYS 75 2HG LYS 75 -2.673 -24.487 -8.688 532 1HD LYS 75 1HD LYS 75 -5.370 -23.169 -8.127 533 2HD LYS 75 2HD LYS 75 -5.109 -24.841 -8.579 534 1HE LYS 75 1HE LYS 75 -3.448 -24.247 -6.279 535 2HE LYS 75 2HE LYS 75 -5.078 -23.696 -5.942 536 1HZ LYS 75 1HZ LYS 75 -5.269 -25.856 -5.397 537 2HZ LYS 75 2HZ LYS 75 -5.631 -26.017 -6.981 538 3HZ LYS 75 3HZ LYS 75 -4.132 -26.379 -6.445 539 H LEU 76 H LEU 76 -0.501 -19.883 -9.249 540 HA LEU 76 HA LEU 76 -0.256 -21.140 -11.894 541 1HB LEU 76 1HB LEU 76 0.953 -18.478 -11.337 542 2HB LEU 76 2HB LEU 76 0.379 -19.164 -12.844 543 HG LEU 76 HG LEU 76 -1.187 -17.530 -12.471 544 1HD1 LEU 76 1HD1 LEU 76 -2.889 -19.236 -10.846 545 2HD1 LEU 76 2HD1 LEU 76 -3.052 -18.738 -12.547 546 3HD1 LEU 76 3HD1 LEU 76 -2.056 -20.152 -12.125 547 1HD2 LEU 76 1HD2 LEU 76 -0.158 -17.285 -10.009 548 2HD2 LEU 76 2HD2 LEU 76 -1.679 -16.508 -10.510 549 3HD2 LEU 76 3HD2 LEU 76 -1.718 -18.031 -9.590 550 H GLU 77 H GLU 77 1.929 -21.604 -12.623 551 HA GLU 77 HA GLU 77 3.642 -22.097 -10.330 552 1HB GLU 77 1HB GLU 77 4.331 -24.024 -11.365 553 2HB GLU 77 2HB GLU 77 2.807 -23.852 -12.214 554 1HG GLU 77 1HG GLU 77 3.993 -22.599 -14.047 555 2HG GLU 77 2HG GLU 77 5.512 -22.832 -13.205 556 H MET 78 H MET 78 5.638 -21.110 -10.120 557 HA MET 78 HA MET 78 6.217 -19.094 -12.088 558 1HB MET 78 1HB MET 78 6.455 -19.308 -9.288 559 2HB MET 78 2HB MET 78 8.115 -19.466 -9.828 560 1HG MET 78 1HG MET 78 7.437 -17.357 -11.371 561 2HG MET 78 2HG MET 78 6.240 -17.120 -10.113 562 1HE MET 78 1HE MET 78 9.832 -15.658 -10.795 563 2HE MET 78 2HE MET 78 10.737 -16.945 -9.962 564 3HE MET 78 3HE MET 78 9.624 -17.355 -11.289 565 H VAL 79 H VAL 79 7.941 -19.116 -13.523 566 HA VAL 79 HA VAL 79 10.024 -21.099 -13.133 567 HB VAL 79 HB VAL 79 8.013 -22.016 -14.495 568 1HG1 VAL 79 1HG1 VAL 79 7.727 -20.080 -15.967 569 2HG1 VAL 79 2HG1 VAL 79 9.375 -20.303 -16.603 570 3HG1 VAL 79 3HG1 VAL 79 8.128 -21.536 -16.909 571 1HG2 VAL 79 1HG2 VAL 79 9.444 -23.493 -15.617 572 2HG2 VAL 79 2HG2 VAL 79 10.686 -22.245 -15.878 573 3HG2 VAL 79 3HG2 VAL 79 10.425 -22.915 -14.249 574 HA PRO 80 HA PRO 80 12.228 -17.695 -14.663 575 1HB PRO 80 1HB PRO 80 14.703 -18.834 -14.867 576 2HB PRO 80 2HB PRO 80 14.055 -18.213 -13.362 577 1HG PRO 80 1HG PRO 80 14.353 -21.023 -14.232 578 2HG PRO 80 2HG PRO 80 14.117 -20.394 -12.614 579 1HD PRO 80 1HD PRO 80 12.142 -21.651 -14.271 580 2HD PRO 80 2HD PRO 80 11.880 -20.919 -12.700 581 H VAL 81 H VAL 81 12.449 -16.670 -16.566 582 HA VAL 81 HA VAL 81 13.682 -17.542 -18.754 583 HB VAL 81 HB VAL 81 12.194 -19.578 -18.511 584 1HG1 VAL 81 1HG1 VAL 81 9.949 -19.482 -18.688 585 2HG1 VAL 81 2HG1 VAL 81 10.154 -17.766 -18.261 586 3HG1 VAL 81 3HG1 VAL 81 10.001 -18.247 -19.968 587 1HG2 VAL 81 1HG2 VAL 81 12.811 -19.903 -20.627 588 2HG2 VAL 81 2HG2 VAL 81 11.490 -18.852 -21.192 589 3HG2 VAL 81 3HG2 VAL 81 13.083 -18.154 -20.813 590 H SER 82 H SER 82 11.578 -16.956 -20.781 591 HA SER 82 HA SER 82 10.905 -14.250 -19.939 592 1HB SER 82 1HB SER 82 11.616 -13.343 -22.061 593 2HB SER 82 2HB SER 82 12.947 -14.288 -21.425 594 HG SER 82 HG SER 82 12.886 -15.199 -23.374 595 H ARG 83 H ARG 83 9.381 -13.300 -21.923 596 HA ARG 83 HA ARG 83 7.017 -14.514 -21.687 597 1HB ARG 83 1HB ARG 83 8.121 -12.897 -24.032 598 2HB ARG 83 2HB ARG 83 6.429 -13.334 -23.913 599 1HG ARG 83 1HG ARG 83 6.059 -11.580 -22.530 600 2HG ARG 83 2HG ARG 83 7.182 -12.252 -21.363 601 1HD ARG 83 1HD ARG 83 9.033 -11.028 -22.245 602 2HD ARG 83 2HD ARG 83 8.229 -10.727 -23.773 603 HE ARG 83 HE ARG 83 6.780 -9.566 -21.522 604 1HH1 ARG 83 2HH2 ARG 83 9.443 -9.051 -23.765 605 2HH1 ARG 83 1HH2 ARG 83 9.399 -7.326 -23.620 606 1HH2 ARG 83 2HH1 ARG 83 6.722 -7.289 -21.331 607 2HH2 ARG 83 1HH1 ARG 83 7.841 -6.317 -22.227 608 H SER 84 H SER 84 5.710 -15.961 -23.015 609 HA SER 84 HA SER 84 7.183 -18.080 -24.074 610 1HB SER 84 1HB SER 84 4.913 -18.270 -23.024 611 2HB SER 84 2HB SER 84 4.217 -17.438 -24.401 612 HG SER 84 HG SER 84 5.497 -19.325 -25.604 613 H ARG 85 H ARG 85 8.086 -18.290 -26.089 614 HA ARG 85 HA ARG 85 8.652 -17.810 -28.126 615 1HB ARG 85 1HB ARG 85 5.615 -17.628 -28.432 616 2HB ARG 85 2HB ARG 85 6.706 -17.641 -29.803 617 1HG ARG 85 1HG ARG 85 7.507 -19.814 -28.120 618 2HG ARG 85 2HG ARG 85 5.758 -19.882 -28.212 619 1HD ARG 85 1HD ARG 85 6.284 -19.428 -30.841 620 2HD ARG 85 2HD ARG 85 7.791 -20.209 -30.404 621 HE ARG 85 HE ARG 85 5.634 -21.743 -29.315 622 1HH1 ARG 85 2HH2 ARG 85 7.060 -20.927 -32.427 623 2HH1 ARG 85 1HH2 ARG 85 6.545 -22.394 -33.191 624 1HH2 ARG 85 2HH1 ARG 85 4.955 -23.678 -30.323 625 2HH2 ARG 85 1HH1 ARG 85 5.340 -23.969 -31.986 Start of MODEL 9 1 H SER 10 H SER 10 -12.269 -13.381 -6.405 2 HA SER 10 HA SER 10 -11.001 -15.618 -7.716 3 1HB SER 10 1HB SER 10 -10.491 -14.122 -9.487 4 2HB SER 10 2HB SER 10 -12.086 -13.633 -8.951 5 HG SER 10 HG SER 10 -9.554 -12.362 -8.400 6 H ALA 11 H ALA 11 -8.907 -16.228 -7.263 7 HA ALA 11 HA ALA 11 -7.072 -14.231 -6.231 8 1HB ALA 11 1HB ALA 11 -8.111 -16.609 -4.689 9 2HB ALA 11 2HB ALA 11 -6.447 -16.034 -4.427 10 3HB ALA 11 3HB ALA 11 -7.822 -14.942 -4.134 11 H VAL 12 H VAL 12 -4.906 -14.709 -6.743 12 HA VAL 12 HA VAL 12 -4.568 -17.172 -8.313 13 HB VAL 12 HB VAL 12 -2.689 -15.096 -8.985 14 1HG1 VAL 12 1HG1 VAL 12 -3.495 -17.186 -10.270 15 2HG1 VAL 12 2HG1 VAL 12 -4.878 -16.179 -10.761 16 3HG1 VAL 12 3HG1 VAL 12 -3.222 -15.688 -11.191 17 1HG2 VAL 12 1HG2 VAL 12 -4.262 -13.430 -8.373 18 2HG2 VAL 12 2HG2 VAL 12 -4.401 -13.603 -10.140 19 3HG2 VAL 12 3HG2 VAL 12 -5.620 -14.342 -9.075 20 H SER 13 H SER 13 -2.915 -18.515 -7.712 21 HA SER 13 HA SER 13 -1.141 -17.435 -5.662 22 1HB SER 13 1HB SER 13 -2.812 -19.207 -4.906 23 2HB SER 13 2HB SER 13 -2.005 -20.343 -5.970 24 HG SER 13 HG SER 13 -1.225 -20.437 -3.747 25 H VAL 14 H VAL 14 1.058 -17.574 -6.077 26 HA VAL 14 HA VAL 14 1.829 -19.235 -8.377 27 HB VAL 14 HB VAL 14 3.576 -16.981 -7.784 28 1HG1 VAL 14 1HG1 VAL 14 3.867 -16.974 -10.041 29 2HG1 VAL 14 2HG1 VAL 14 3.171 -18.605 -9.893 30 3HG1 VAL 14 3HG1 VAL 14 2.140 -17.238 -10.379 31 1HG2 VAL 14 1HG2 VAL 14 1.645 -15.762 -7.119 32 2HG2 VAL 14 2HG2 VAL 14 1.979 -15.286 -8.801 33 3HG2 VAL 14 3HG2 VAL 14 0.670 -16.438 -8.445 34 H LEU 15 H LEU 15 3.066 -20.928 -7.773 35 HA LEU 15 HA LEU 15 4.609 -20.614 -5.297 36 1HB LEU 15 1HB LEU 15 4.320 -22.850 -4.861 37 2HB LEU 15 2HB LEU 15 2.767 -22.371 -5.518 38 HG LEU 15 HG LEU 15 3.265 -24.478 -6.456 39 1HD1 LEU 15 1HD1 LEU 15 3.855 -22.281 -8.451 40 2HD1 LEU 15 2HD1 LEU 15 3.570 -23.980 -8.901 41 3HD1 LEU 15 3HD1 LEU 15 2.289 -23.047 -8.089 42 1HD2 LEU 15 1HD2 LEU 15 5.392 -25.149 -6.351 43 2HD2 LEU 15 2HD2 LEU 15 5.581 -24.372 -7.941 44 3HD2 LEU 15 3HD2 LEU 15 6.021 -23.488 -6.460 45 H ALA 16 H ALA 16 6.781 -20.456 -5.449 46 HA ALA 16 HA ALA 16 7.964 -20.839 -8.065 47 1HB ALA 16 1HB ALA 16 8.384 -18.819 -6.614 48 2HB ALA 16 2HB ALA 16 9.223 -19.887 -5.464 49 3HB ALA 16 3HB ALA 16 9.860 -19.679 -7.113 50 HA PRO 17 HA PRO 17 9.473 -24.769 -7.011 51 1HB PRO 17 1HB PRO 17 11.172 -25.157 -9.116 52 2HB PRO 17 2HB PRO 17 9.445 -25.441 -9.213 53 1HG PRO 17 1HG PRO 17 11.019 -23.193 -10.313 54 2HG PRO 17 2HG PRO 17 9.404 -23.718 -10.745 55 1HD PRO 17 1HD PRO 17 10.097 -21.457 -9.122 56 2HD PRO 17 2HD PRO 17 8.483 -22.050 -9.459 57 H ASN 18 H ASN 18 11.233 -21.955 -6.921 58 HA ASN 18 HA ASN 18 13.712 -23.190 -6.314 59 1HB ASN 18 1HB ASN 18 14.346 -20.813 -5.623 60 2HB ASN 18 2HB ASN 18 13.750 -20.948 -7.265 61 1HD2 ASN 18 2HD2 ASN 18 13.655 -18.539 -6.356 62 2HD2 ASN 18 1HD2 ASN 18 12.074 -18.020 -5.873 63 H GLY 19 H GLY 19 10.800 -23.101 -4.707 64 1HA GLY 19 1HA GLY 19 10.547 -23.967 -2.544 65 2HA GLY 19 2HA GLY 19 12.095 -23.290 -2.077 66 H ARG 20 H ARG 20 10.134 -21.177 -4.038 67 HA ARG 20 HA ARG 20 9.460 -19.722 -1.611 68 1HB ARG 20 1HB ARG 20 10.515 -18.908 -4.269 69 2HB ARG 20 2HB ARG 20 9.187 -17.906 -3.716 70 1HG ARG 20 1HG ARG 20 10.887 -18.310 -1.447 71 2HG ARG 20 2HG ARG 20 11.945 -17.943 -2.795 72 1HD ARG 20 1HD ARG 20 10.948 -15.821 -3.178 73 2HD ARG 20 2HD ARG 20 9.464 -16.255 -2.352 74 HE ARG 20 HE ARG 20 11.402 -16.440 -0.365 75 1HH1 ARG 20 2HH2 ARG 20 10.379 -13.916 -2.593 76 2HH1 ARG 20 1HH2 ARG 20 10.815 -12.622 -1.528 77 1HH2 ARG 20 2HH1 ARG 20 11.977 -14.733 1.041 78 2HH2 ARG 20 1HH1 ARG 20 11.730 -13.089 0.554 79 H ARG 21 H ARG 21 7.296 -19.840 -1.103 80 HA ARG 21 HA ARG 21 5.477 -20.188 -3.345 81 1HB ARG 21 1HB ARG 21 5.749 -21.701 -1.002 82 2HB ARG 21 2HB ARG 21 4.387 -20.664 -0.626 83 1HG ARG 21 1HG ARG 21 3.031 -21.928 -1.927 84 2HG ARG 21 2HG ARG 21 4.031 -21.597 -3.327 85 1HD ARG 21 1HD ARG 21 5.519 -23.492 -2.771 86 2HD ARG 21 2HD ARG 21 4.647 -23.781 -1.279 87 HE ARG 21 HE ARG 21 2.680 -23.895 -3.259 88 1HH1 ARG 21 2HH2 ARG 21 5.703 -25.583 -2.632 89 2HH1 ARG 21 1HH2 ARG 21 5.192 -27.048 -3.401 90 1HH2 ARG 21 2HH1 ARG 21 2.006 -25.828 -4.274 91 2HH2 ARG 21 1HH1 ARG 21 3.075 -27.189 -4.341 92 H HIS 22 H HIS 22 4.261 -18.394 -3.855 93 HA HIS 22 HA HIS 22 3.410 -16.688 -1.658 94 1HB HIS 22 1HB HIS 22 4.074 -14.667 -2.772 95 2HB HIS 22 2HB HIS 22 5.478 -15.697 -2.569 96 HD1 HIS 22 HD1 HIS 22 5.451 -17.492 -4.989 97 HD2 HIS 22 HD2 HIS 22 4.381 -13.441 -5.184 98 HE1 HIS 22 HE1 HIS 22 5.771 -16.784 -7.419 99 H THR 23 H THR 23 1.331 -15.862 -1.921 100 HA THR 23 HA THR 23 0.026 -16.573 -4.467 101 HB THR 23 HB THR 23 -0.722 -18.080 -2.684 102 HG1 THR 23 HG1 THR 23 -2.438 -17.261 -3.993 103 1HG2 THR 23 1HG2 THR 23 -0.080 -16.539 -0.737 104 2HG2 THR 23 2HG2 THR 23 -1.518 -15.567 -1.130 105 3HG2 THR 23 3HG2 THR 23 -1.703 -17.257 -0.604 106 H VAL 24 H VAL 24 -0.966 -14.990 -5.573 107 HA VAL 24 HA VAL 24 -1.335 -12.456 -4.128 108 HB VAL 24 HB VAL 24 -0.448 -12.944 -6.978 109 1HG1 VAL 24 1HG1 VAL 24 -1.231 -10.399 -5.537 110 2HG1 VAL 24 2HG1 VAL 24 -0.200 -10.405 -6.989 111 3HG1 VAL 24 3HG1 VAL 24 -1.860 -11.043 -7.072 112 1HG2 VAL 24 1HG2 VAL 24 0.959 -12.334 -4.450 113 2HG2 VAL 24 2HG2 VAL 24 1.555 -13.094 -5.946 114 3HG2 VAL 24 3HG2 VAL 24 1.427 -11.321 -5.837 115 H LYS 25 H LYS 25 -3.415 -11.787 -4.015 116 HA LYS 25 HA LYS 25 -5.350 -13.210 -5.648 117 1HB LYS 25 1HB LYS 25 -7.000 -12.166 -4.118 118 2HB LYS 25 2HB LYS 25 -5.810 -13.153 -3.293 119 1HG LYS 25 1HG LYS 25 -4.832 -10.412 -3.524 120 2HG LYS 25 2HG LYS 25 -6.428 -10.414 -2.802 121 1HD LYS 25 1HD LYS 25 -5.194 -12.541 -1.490 122 2HD LYS 25 2HD LYS 25 -3.862 -11.423 -1.706 123 1HE LYS 25 1HE LYS 25 -5.055 -9.640 -0.557 124 2HE LYS 25 2HE LYS 25 -6.556 -10.545 -0.574 125 1HZ LYS 25 1HZ LYS 25 -5.395 -12.224 0.796 126 2HZ LYS 25 2HZ LYS 25 -4.126 -11.205 0.932 127 3HZ LYS 25 3HZ LYS 25 -5.582 -10.781 1.537 128 H VAL 26 H VAL 26 -5.848 -12.409 -7.612 129 HA VAL 26 HA VAL 26 -5.852 -9.480 -7.867 130 HB VAL 26 HB VAL 26 -4.921 -9.626 -9.957 131 1HG1 VAL 26 1HG1 VAL 26 -3.665 -11.124 -7.906 132 2HG1 VAL 26 2HG1 VAL 26 -3.405 -12.015 -9.425 133 3HG1 VAL 26 3HG1 VAL 26 -2.906 -10.311 -9.296 134 1HG2 VAL 26 1HG2 VAL 26 -6.320 -11.065 -11.151 135 2HG2 VAL 26 2HG2 VAL 26 -4.755 -11.912 -11.177 136 3HG2 VAL 26 3HG2 VAL 26 -6.028 -12.430 -10.046 137 H THR 27 H THR 27 -7.358 -8.776 -9.764 138 HA THR 27 HA THR 27 -9.924 -10.010 -9.231 139 HB THR 27 HB THR 27 -9.926 -7.837 -11.177 140 HG1 THR 27 HG1 THR 27 -8.558 -7.450 -8.613 141 1HG2 THR 27 1HG2 THR 27 -11.352 -8.592 -8.854 142 2HG2 THR 27 2HG2 THR 27 -10.505 -7.097 -8.387 143 3HG2 THR 27 3HG2 THR 27 -11.596 -7.101 -9.794 144 HA PRO 28 HA PRO 28 -10.181 -12.273 -12.865 145 1HB PRO 28 1HB PRO 28 -12.880 -12.362 -13.285 146 2HB PRO 28 2HB PRO 28 -12.056 -13.387 -12.128 147 1HG PRO 28 1HG PRO 28 -13.736 -11.007 -11.628 148 2HG PRO 28 2HG PRO 28 -13.265 -12.272 -10.511 149 1HD PRO 28 1HD PRO 28 -12.172 -9.625 -10.667 150 2HD PRO 28 2HD PRO 28 -11.623 -10.926 -9.629 151 H SER 29 H SER 29 -11.069 -9.044 -12.783 152 HA SER 29 HA SER 29 -11.293 -9.073 -15.688 153 1HB SER 29 1HB SER 29 -12.203 -6.669 -15.265 154 2HB SER 29 2HB SER 29 -13.242 -8.028 -14.883 155 HG SER 29 HG SER 29 -13.042 -7.659 -12.737 156 H THR 30 H THR 30 -9.067 -8.685 -13.244 157 HA THR 30 HA THR 30 -7.754 -6.335 -14.349 158 HB THR 30 HB THR 30 -7.511 -8.091 -11.892 159 HG1 THR 30 HG1 THR 30 -7.484 -5.236 -12.583 160 1HG2 THR 30 1HG2 THR 30 -5.530 -6.225 -11.532 161 2HG2 THR 30 2HG2 THR 30 -5.203 -7.898 -12.046 162 3HG2 THR 30 3HG2 THR 30 -5.299 -6.597 -13.257 163 H VAL 31 H VAL 31 -5.838 -6.303 -15.480 164 HA VAL 31 HA VAL 31 -5.256 -8.728 -16.884 165 HB VAL 31 HB VAL 31 -3.475 -7.208 -17.905 166 1HG1 VAL 31 1HG1 VAL 31 -6.401 -7.149 -18.163 167 2HG1 VAL 31 2HG1 VAL 31 -5.601 -5.687 -18.788 168 3HG1 VAL 31 3HG1 VAL 31 -5.140 -7.289 -19.412 169 1HG2 VAL 31 1HG2 VAL 31 -5.002 -4.875 -16.843 170 2HG2 VAL 31 2HG2 VAL 31 -3.801 -5.630 -15.767 171 3HG2 VAL 31 3HG2 VAL 31 -3.302 -4.999 -17.355 172 H LEU 32 H LEU 32 -3.673 -10.204 -16.466 173 HA LEU 32 HA LEU 32 -2.391 -10.193 -13.999 174 1HB LEU 32 1HB LEU 32 -1.965 -11.746 -16.542 175 2HB LEU 32 2HB LEU 32 -0.998 -12.025 -15.108 176 HG LEU 32 HG LEU 32 -3.967 -12.089 -14.798 177 1HD1 LEU 32 1HD1 LEU 32 -3.651 -14.655 -15.394 178 2HD1 LEU 32 2HD1 LEU 32 -4.085 -13.446 -16.626 179 3HD1 LEU 32 3HD1 LEU 32 -2.399 -13.996 -16.474 180 1HD2 LEU 32 1HD2 LEU 32 -2.831 -12.426 -12.790 181 2HD2 LEU 32 2HD2 LEU 32 -3.244 -14.073 -13.324 182 3HD2 LEU 32 3HD2 LEU 32 -1.591 -13.454 -13.548 183 H LEU 33 H LEU 33 -1.662 -8.550 -16.987 184 HA LEU 33 HA LEU 33 1.119 -8.384 -16.730 185 1HB LEU 33 1HB LEU 33 0.984 -6.643 -18.348 186 2HB LEU 33 2HB LEU 33 -0.145 -7.913 -18.775 187 HG LEU 33 HG LEU 33 -1.821 -6.300 -17.411 188 1HD1 LEU 33 1HD1 LEU 33 -1.371 -3.959 -17.955 189 2HD1 LEU 33 2HD1 LEU 33 -0.103 -4.636 -16.906 190 3HD1 LEU 33 3HD1 LEU 33 0.206 -4.413 -18.644 191 1HD2 LEU 33 1HD2 LEU 33 -2.792 -5.809 -19.443 192 2HD2 LEU 33 2HD2 LEU 33 -1.229 -5.580 -20.263 193 3HD2 LEU 33 3HD2 LEU 33 -1.790 -7.220 -19.856 194 H GLN 34 H GLN 34 -1.575 -6.313 -15.501 195 HA GLN 34 HA GLN 34 0.152 -4.427 -14.374 196 1HB GLN 34 1HB GLN 34 -1.796 -3.418 -13.515 197 2HB GLN 34 2HB GLN 34 -2.380 -4.247 -14.944 198 1HG GLN 34 1HG GLN 34 -3.960 -5.001 -13.422 199 2HG GLN 34 2HG GLN 34 -2.762 -6.264 -13.217 200 1HE2 GLN 34 2HE2 GLN 34 -4.336 -3.524 -11.843 201 2HE2 GLN 34 1HE2 GLN 34 -3.657 -3.594 -10.251 202 H VAL 35 H VAL 35 -1.393 -7.439 -13.170 203 HA VAL 35 HA VAL 35 -0.585 -7.028 -10.478 204 HB VAL 35 HB VAL 35 -1.700 -8.953 -10.052 205 1HG1 VAL 35 1HG1 VAL 35 -3.674 -9.008 -11.294 206 2HG1 VAL 35 2HG1 VAL 35 -3.043 -7.378 -11.627 207 3HG1 VAL 35 3HG1 VAL 35 -2.839 -8.674 -12.830 208 1HG2 VAL 35 1HG2 VAL 35 -0.922 -10.091 -12.758 209 2HG2 VAL 35 2HG2 VAL 35 -0.053 -10.390 -11.234 210 3HG2 VAL 35 3HG2 VAL 35 -1.731 -10.953 -11.427 211 H LEU 36 H LEU 36 0.648 -9.004 -13.253 212 HA LEU 36 HA LEU 36 2.766 -10.155 -11.869 213 1HB LEU 36 1HB LEU 36 1.846 -10.877 -14.049 214 2HB LEU 36 2HB LEU 36 2.566 -9.470 -14.805 215 HG LEU 36 HG LEU 36 4.228 -11.505 -13.314 216 1HD1 LEU 36 1HD1 LEU 36 3.030 -12.753 -14.997 217 2HD1 LEU 36 2HD1 LEU 36 3.441 -11.546 -16.239 218 3HD1 LEU 36 3HD1 LEU 36 4.722 -12.542 -15.508 219 1HD2 LEU 36 1HD2 LEU 36 5.519 -10.248 -15.549 220 2HD2 LEU 36 2HD2 LEU 36 4.800 -9.003 -14.499 221 3HD2 LEU 36 3HD2 LEU 36 5.939 -10.190 -13.820 222 H GLU 37 H GLU 37 2.509 -7.057 -13.703 223 HA GLU 37 HA GLU 37 5.212 -6.430 -13.407 224 1HB GLU 37 1HB GLU 37 2.786 -4.650 -13.901 225 2HB GLU 37 2HB GLU 37 4.444 -4.099 -14.025 226 1HG GLU 37 1HG GLU 37 3.771 -6.591 -15.551 227 2HG GLU 37 2HG GLU 37 3.037 -5.111 -16.135 228 H ASP 38 H ASP 38 2.282 -5.808 -11.431 229 HA ASP 38 HA ASP 38 3.349 -3.911 -9.762 230 1HB ASP 38 1HB ASP 38 1.106 -5.857 -9.713 231 2HB ASP 38 2HB ASP 38 1.676 -5.418 -8.115 232 H THR 39 H THR 39 3.089 -7.529 -9.376 233 HA THR 39 HA THR 39 4.499 -7.663 -6.956 234 HB THR 39 HB THR 39 2.995 -9.441 -7.809 235 HG1 THR 39 HG1 THR 39 4.613 -11.153 -7.414 236 1HG2 THR 39 1HG2 THR 39 5.163 -9.746 -9.951 237 2HG2 THR 39 2HG2 THR 39 3.922 -10.976 -9.610 238 3HG2 THR 39 3HG2 THR 39 3.444 -9.377 -10.230 239 H CYS 40 H CYS 40 5.574 -7.536 -10.352 240 HA CYS 40 HA CYS 40 8.203 -8.364 -9.811 241 1HB CYS 40 1HB CYS 40 6.822 -7.007 -12.104 242 2HB CYS 40 2HB CYS 40 8.574 -7.005 -12.058 243 HG CYS 40 HG CYS 40 6.609 -9.640 -11.636 244 H ARG 41 H ARG 41 6.429 -5.246 -9.764 245 HA ARG 41 HA ARG 41 8.700 -3.646 -9.580 246 1HB ARG 41 1HB ARG 41 7.126 -2.005 -9.741 247 2HB ARG 41 2HB ARG 41 5.909 -3.266 -9.757 248 1HG ARG 41 1HG ARG 41 5.311 -1.755 -7.972 249 2HG ARG 41 2HG ARG 41 5.914 -3.213 -7.211 250 1HD ARG 41 1HD ARG 41 7.389 -1.912 -6.071 251 2HD ARG 41 2HD ARG 41 8.230 -1.644 -7.585 252 HE ARG 41 HE ARG 41 6.237 0.215 -7.758 253 1HH1 ARG 41 2HH2 ARG 41 8.460 -0.575 -5.147 254 2HH1 ARG 41 1HH2 ARG 41 8.475 1.033 -4.503 255 1HH2 ARG 41 2HH1 ARG 41 6.258 2.336 -6.909 256 2HH2 ARG 41 1HH1 ARG 41 7.214 2.700 -5.511 257 H ARG 42 H ARG 42 6.404 -5.005 -7.119 258 HA ARG 42 HA ARG 42 7.821 -3.844 -4.979 259 1HB ARG 42 1HB ARG 42 6.351 -5.591 -3.654 260 2HB ARG 42 2HB ARG 42 5.554 -4.264 -4.474 261 1HG ARG 42 1HG ARG 42 5.850 -6.361 -6.408 262 2HG ARG 42 2HG ARG 42 5.268 -7.115 -4.938 263 1HD ARG 42 1HD ARG 42 3.989 -4.627 -6.168 264 2HD ARG 42 2HD ARG 42 3.438 -6.258 -6.497 265 HE ARG 42 HE ARG 42 2.976 -4.732 -4.061 266 1HH1 ARG 42 2HH2 ARG 42 3.326 -7.994 -5.333 267 2HH1 ARG 42 1HH2 ARG 42 2.407 -8.727 -4.060 268 1HH2 ARG 42 2HH1 ARG 42 1.764 -5.698 -2.381 269 2HH2 ARG 42 1HH1 ARG 42 1.513 -7.412 -2.370 270 H GLN 43 H GLN 43 7.766 -7.015 -6.655 271 HA GLN 43 HA GLN 43 9.640 -8.070 -4.728 272 1HB GLN 43 1HB GLN 43 9.021 -10.174 -5.458 273 2HB GLN 43 2HB GLN 43 7.567 -9.295 -5.887 274 1HG GLN 43 1HG GLN 43 8.815 -8.868 -8.186 275 2HG GLN 43 2HG GLN 43 9.817 -10.220 -7.697 276 1HE2 GLN 43 2HE2 GLN 43 8.598 -12.166 -6.878 277 2HE2 GLN 43 1HE2 GLN 43 7.193 -12.664 -7.760 278 H ASP 44 H ASP 44 9.951 -5.949 -7.140 279 HA ASP 44 HA ASP 44 11.382 -5.506 -8.742 280 1HB ASP 44 1HB ASP 44 13.823 -5.857 -8.014 281 2HB ASP 44 2HB ASP 44 12.811 -4.940 -6.917 282 H PHE 45 H PHE 45 10.312 -7.453 -9.991 283 HA PHE 45 HA PHE 45 12.426 -9.396 -10.596 284 1HB PHE 45 1HB PHE 45 9.565 -9.654 -9.772 285 2HB PHE 45 2HB PHE 45 9.926 -10.555 -11.231 286 HD1 PHE 45 HD1 PHE 45 12.225 -9.976 -8.379 287 HD2 PHE 45 HD2 PHE 45 9.778 -12.762 -10.442 288 HE1 PHE 45 HE1 PHE 45 13.178 -11.839 -6.992 289 HE2 PHE 45 HE2 PHE 45 10.730 -14.625 -9.056 290 HZ PHE 45 HZ PHE 45 12.419 -14.142 -7.348 291 H ASN 46 H ASN 46 12.273 -10.315 -12.829 292 HA ASN 46 HA ASN 46 11.035 -8.351 -14.594 293 1HB ASN 46 1HB ASN 46 13.757 -9.456 -14.477 294 2HB ASN 46 2HB ASN 46 13.038 -9.769 -16.044 295 1HD2 ASN 46 2HD2 ASN 46 15.220 -8.084 -15.609 296 2HD2 ASN 46 1HD2 ASN 46 14.793 -6.455 -16.015 297 HA PRO 47 HA PRO 47 8.946 -11.871 -16.191 298 1HB PRO 47 1HB PRO 47 7.934 -10.823 -18.503 299 2HB PRO 47 2HB PRO 47 7.187 -10.586 -16.936 300 1HG PRO 47 1HG PRO 47 8.770 -8.675 -18.542 301 2HG PRO 47 2HG PRO 47 7.677 -8.349 -17.211 302 1HD PRO 47 1HD PRO 47 10.544 -8.350 -17.118 303 2HD PRO 47 2HD PRO 47 9.452 -8.139 -15.764 304 H SER 48 H SER 48 11.216 -10.191 -18.230 305 HA SER 48 HA SER 48 11.374 -12.204 -20.140 306 1HB SER 48 1HB SER 48 12.205 -9.954 -20.585 307 2HB SER 48 2HB SER 48 13.361 -10.063 -19.273 308 HG SER 48 HG SER 48 14.069 -10.504 -21.629 309 H GLU 49 H GLU 49 12.201 -12.241 -16.853 310 HA GLU 49 HA GLU 49 14.126 -14.374 -17.357 311 1HB GLU 49 1HB GLU 49 14.136 -12.252 -15.177 312 2HB GLU 49 2HB GLU 49 15.073 -13.726 -15.043 313 1HG GLU 49 1HG GLU 49 16.296 -13.198 -17.118 314 2HG GLU 49 2HG GLU 49 15.282 -11.798 -17.403 315 H TYR 50 H TYR 50 11.021 -13.651 -16.427 316 HA TYR 50 HA TYR 50 10.869 -16.096 -14.836 317 1HB TYR 50 1HB TYR 50 9.855 -13.260 -14.212 318 2HB TYR 50 2HB TYR 50 9.162 -14.661 -13.420 319 HD1 TYR 50 HD1 TYR 50 11.115 -12.081 -12.656 320 HD2 TYR 50 HD2 TYR 50 11.442 -16.345 -12.773 321 HE1 TYR 50 HE1 TYR 50 12.945 -11.996 -10.893 322 HE2 TYR 50 HE2 TYR 50 13.270 -16.246 -11.009 323 HH TYR 50 HH TYR 50 13.933 -14.690 -9.191 324 H ASP 51 H ASP 51 9.009 -17.302 -15.211 325 HA ASP 51 HA ASP 51 7.047 -16.018 -16.937 326 1HB ASP 51 1HB ASP 51 8.499 -18.646 -17.263 327 2HB ASP 51 2HB ASP 51 6.837 -18.554 -17.810 328 H LEU 52 H LEU 52 4.835 -16.828 -16.599 329 HA LEU 52 HA LEU 52 4.575 -18.552 -14.234 330 1HB LEU 52 1HB LEU 52 2.844 -16.193 -14.986 331 2HB LEU 52 2HB LEU 52 2.594 -17.262 -13.620 332 HG LEU 52 HG LEU 52 4.941 -16.517 -12.839 333 1HD1 LEU 52 1HD1 LEU 52 4.890 -15.160 -15.288 334 2HD1 LEU 52 2HD1 LEU 52 4.679 -13.901 -14.048 335 3HD1 LEU 52 3HD1 LEU 52 6.084 -14.992 -13.978 336 1HD2 LEU 52 1HD2 LEU 52 2.498 -14.739 -12.807 337 2HD2 LEU 52 2HD2 LEU 52 3.054 -15.889 -11.568 338 3HD2 LEU 52 3HD2 LEU 52 3.964 -14.388 -11.861 339 H LYS 53 H LYS 53 3.153 -20.263 -14.391 340 HA LYS 53 HA LYS 53 1.332 -20.320 -16.645 341 1HB LYS 53 1HB LYS 53 3.276 -21.242 -17.689 342 2HB LYS 53 2HB LYS 53 3.621 -22.270 -16.313 343 1HG LYS 53 1HG LYS 53 1.570 -23.576 -16.704 344 2HG LYS 53 2HG LYS 53 1.070 -22.482 -17.979 345 1HD LYS 53 1HD LYS 53 2.062 -24.093 -19.306 346 2HD LYS 53 2HD LYS 53 3.489 -23.127 -18.985 347 1HE LYS 53 1HE LYS 53 3.902 -24.640 -16.935 348 2HE LYS 53 2HE LYS 53 2.636 -25.682 -17.553 349 1HZ LYS 53 1HZ LYS 53 3.879 -25.970 -19.553 350 2HZ LYS 53 2HZ LYS 53 5.022 -24.904 -19.081 351 3HZ LYS 53 3HZ LYS 53 4.850 -26.321 -18.288 352 H PHE 54 H PHE 54 -0.514 -21.546 -16.226 353 HA PHE 54 HA PHE 54 -0.497 -22.968 -13.661 354 1HB PHE 54 1HB PHE 54 -1.918 -21.261 -12.984 355 2HB PHE 54 2HB PHE 54 -1.976 -20.599 -14.606 356 HD1 PHE 54 HD1 PHE 54 -3.407 -23.365 -12.558 357 HD2 PHE 54 HD2 PHE 54 -3.961 -20.687 -15.804 358 HE1 PHE 54 HE1 PHE 54 -5.785 -24.137 -12.789 359 HE2 PHE 54 HE2 PHE 54 -6.338 -21.460 -16.035 360 HZ PHE 54 HZ PHE 54 -7.222 -23.175 -14.525 361 H GLN 55 H GLN 55 -0.873 -25.093 -14.066 362 HA GLN 55 HA GLN 55 -1.677 -26.916 -14.927 363 1HB GLN 55 1HB GLN 55 -4.025 -25.070 -15.464 364 2HB GLN 55 2HB GLN 55 -4.085 -26.755 -15.942 365 1HG GLN 55 1HG GLN 55 -3.089 -26.758 -13.272 366 2HG GLN 55 2HG GLN 55 -4.395 -25.590 -13.282 367 1HE2 GLN 55 2HE2 GLN 55 -5.148 -27.381 -11.787 368 2HE2 GLN 55 1HE2 GLN 55 -6.144 -28.622 -12.473 369 H ARG 56 H ARG 56 -3.671 -25.590 -17.454 370 HA ARG 56 HA ARG 56 -1.559 -26.262 -19.337 371 1HB ARG 56 1HB ARG 56 -4.600 -26.417 -19.534 372 2HB ARG 56 2HB ARG 56 -3.586 -26.512 -20.960 373 1HG ARG 56 1HG ARG 56 -2.399 -28.315 -19.127 374 2HG ARG 56 2HG ARG 56 -4.123 -28.559 -18.926 375 1HD ARG 56 1HD ARG 56 -4.327 -29.564 -20.969 376 2HD ARG 56 2HD ARG 56 -3.390 -28.318 -21.770 377 HE ARG 56 HE ARG 56 -2.375 -30.856 -20.696 378 1HH1 ARG 56 2HH2 ARG 56 -1.528 -27.604 -21.738 379 2HH1 ARG 56 1HH2 ARG 56 0.128 -27.998 -22.055 380 1HH2 ARG 56 2HH1 ARG 56 -0.189 -31.378 -21.114 381 2HH2 ARG 56 1HH1 ARG 56 0.895 -30.160 -21.697 382 H THR 57 H THR 57 -2.439 -23.615 -17.859 383 HA THR 57 HA THR 57 -2.664 -21.993 -20.310 384 HB THR 57 HB THR 57 -3.902 -21.662 -17.533 385 HG1 THR 57 HG1 THR 57 -5.767 -21.489 -19.158 386 1HG2 THR 57 1HG2 THR 57 -4.712 -19.504 -18.193 387 2HG2 THR 57 2HG2 THR 57 -2.984 -19.461 -18.617 388 3HG2 THR 57 3HG2 THR 57 -4.203 -19.742 -19.882 389 H VAL 58 H VAL 58 -1.159 -20.452 -20.675 390 HA VAL 58 HA VAL 58 1.045 -20.397 -18.792 391 HB VAL 58 HB VAL 58 2.252 -19.319 -20.560 392 1HG1 VAL 58 1HG1 VAL 58 0.562 -21.512 -21.803 393 2HG1 VAL 58 2HG1 VAL 58 2.227 -21.051 -22.232 394 3HG1 VAL 58 3HG1 VAL 58 1.889 -21.799 -20.652 395 1HG2 VAL 58 1HG2 VAL 58 0.328 -17.874 -21.319 396 2HG2 VAL 58 2HG2 VAL 58 1.300 -18.585 -22.629 397 3HG2 VAL 58 3HG2 VAL 58 -0.286 -19.281 -22.219 398 H LEU 59 H LEU 59 1.723 -18.576 -17.638 399 HA LEU 59 HA LEU 59 -0.184 -16.342 -17.713 400 1HB LEU 59 1HB LEU 59 1.236 -17.713 -15.456 401 2HB LEU 59 2HB LEU 59 0.769 -16.030 -15.305 402 HG LEU 59 HG LEU 59 -0.834 -17.711 -14.335 403 1HD1 LEU 59 1HD1 LEU 59 -1.416 -15.349 -14.968 404 2HD1 LEU 59 2HD1 LEU 59 -2.070 -15.989 -16.495 405 3HD1 LEU 59 3HD1 LEU 59 -2.784 -16.487 -14.943 406 1HD2 LEU 59 1HD2 LEU 59 -0.599 -19.374 -16.180 407 2HD2 LEU 59 2HD2 LEU 59 -2.284 -18.981 -15.762 408 3HD2 LEU 59 3HD2 LEU 59 -1.544 -18.284 -17.223 409 H ASP 60 H ASP 60 0.623 -14.520 -18.589 410 HA ASP 60 HA ASP 60 3.366 -13.875 -17.986 411 1HB ASP 60 1HB ASP 60 2.951 -15.102 -20.344 412 2HB ASP 60 2HB ASP 60 2.443 -13.499 -20.836 413 H LEU 61 H LEU 61 3.418 -11.647 -19.931 414 HA LEU 61 HA LEU 61 1.556 -9.886 -18.569 415 1HB LEU 61 1HB LEU 61 3.760 -9.193 -20.509 416 2HB LEU 61 2HB LEU 61 2.896 -8.100 -19.447 417 HG LEU 61 HG LEU 61 4.529 -10.378 -18.334 418 1HD1 LEU 61 1HD1 LEU 61 6.459 -9.457 -18.915 419 2HD1 LEU 61 2HD1 LEU 61 5.578 -8.253 -19.886 420 3HD1 LEU 61 3HD1 LEU 61 5.973 -7.907 -18.185 421 1HD2 LEU 61 1HD2 LEU 61 3.392 -7.807 -17.253 422 2HD2 LEU 61 2HD2 LEU 61 3.188 -9.471 -16.657 423 3HD2 LEU 61 3HD2 LEU 61 4.746 -8.636 -16.448 424 H SER 62 H SER 62 1.091 -11.995 -20.918 425 HA SER 62 HA SER 62 -0.546 -10.112 -22.416 426 1HB SER 62 1HB SER 62 -0.093 -11.703 -24.435 427 2HB SER 62 2HB SER 62 1.132 -10.526 -24.008 428 HG SER 62 HG SER 62 1.101 -13.333 -23.294 429 H LEU 63 H LEU 63 -1.249 -11.741 -20.112 430 HA LEU 63 HA LEU 63 -3.287 -13.379 -21.386 431 1HB LEU 63 1HB LEU 63 -1.176 -14.379 -19.507 432 2HB LEU 63 2HB LEU 63 -2.776 -15.095 -19.489 433 HG LEU 63 HG LEU 63 -1.516 -16.483 -20.886 434 1HD1 LEU 63 1HD1 LEU 63 -3.745 -15.639 -21.812 435 2HD1 LEU 63 2HD1 LEU 63 -2.772 -14.660 -22.936 436 3HD1 LEU 63 3HD1 LEU 63 -2.630 -16.434 -22.949 437 1HD2 LEU 63 1HD2 LEU 63 0.036 -14.157 -21.366 438 2HD2 LEU 63 2HD2 LEU 63 0.388 -15.842 -21.820 439 3HD2 LEU 63 3HD2 LEU 63 -0.492 -14.781 -22.947 440 H GLN 64 H GLN 64 -5.130 -12.426 -20.710 441 HA GLN 64 HA GLN 64 -5.103 -11.207 -18.091 442 1HB GLN 64 1HB GLN 64 -7.221 -11.113 -20.284 443 2HB GLN 64 2HB GLN 64 -7.242 -10.166 -18.810 444 1HG GLN 64 1HG GLN 64 -6.278 -8.636 -20.292 445 2HG GLN 64 2HG GLN 64 -4.842 -9.363 -19.597 446 1HE2 GLN 64 2HE2 GLN 64 -6.799 -8.947 -22.391 447 2HE2 GLN 64 1HE2 GLN 64 -5.813 -9.784 -23.543 448 H TRP 65 H TRP 65 -6.727 -11.691 -16.465 449 HA TRP 65 HA TRP 65 -7.280 -14.427 -16.231 450 1HB TRP 65 1HB TRP 65 -6.970 -13.079 -14.288 451 2HB TRP 65 2HB TRP 65 -8.276 -12.000 -14.739 452 HD1 TRP 65 HD1 TRP 65 -10.740 -13.776 -15.128 453 HE1 TRP 65 HE1 TRP 65 -11.813 -15.336 -13.290 454 HE3 TRP 65 HE3 TRP 65 -6.553 -14.172 -12.271 455 HZ2 TRP 65 HZ2 TRP 65 -10.812 -16.533 -10.900 456 HZ3 TRP 65 HZ3 TRP 65 -6.685 -15.555 -10.201 457 HH2 TRP 65 HH2 TRP 65 -8.721 -16.713 -9.501 458 H ARG 66 H ARG 66 -9.172 -11.564 -17.328 459 HA ARG 66 HA ARG 66 -11.626 -12.759 -17.419 460 1HB ARG 66 1HB ARG 66 -12.264 -10.948 -18.920 461 2HB ARG 66 2HB ARG 66 -11.099 -10.301 -17.782 462 1HG ARG 66 1HG ARG 66 -9.277 -10.576 -19.449 463 2HG ARG 66 2HG ARG 66 -10.398 -11.305 -20.582 464 1HD ARG 66 1HD ARG 66 -11.081 -8.580 -19.470 465 2HD ARG 66 2HD ARG 66 -9.817 -8.682 -20.679 466 HE ARG 66 HE ARG 66 -11.841 -10.198 -21.792 467 1HH1 ARG 66 2HH2 ARG 66 -11.707 -6.939 -20.471 468 2HH1 ARG 66 1HH2 ARG 66 -12.963 -6.333 -21.499 469 1HH2 ARG 66 2HH1 ARG 66 -13.498 -9.399 -23.148 470 2HH2 ARG 66 1HH1 ARG 66 -13.989 -7.742 -23.032 471 H PHE 67 H PHE 67 -8.782 -13.427 -19.267 472 HA PHE 67 HA PHE 67 -10.392 -14.747 -21.336 473 1HB PHE 67 1HB PHE 67 -7.616 -13.477 -21.175 474 2HB PHE 67 2HB PHE 67 -7.930 -14.679 -22.410 475 HD1 PHE 67 HD1 PHE 67 -10.631 -14.062 -23.298 476 HD2 PHE 67 HD2 PHE 67 -7.479 -11.427 -22.233 477 HE1 PHE 67 HE1 PHE 67 -11.615 -12.288 -24.775 478 HE2 PHE 67 HE2 PHE 67 -8.463 -9.653 -23.711 479 HZ PHE 67 HZ PHE 67 -10.519 -10.104 -24.965 480 H ALA 68 H ALA 68 -7.329 -15.034 -19.397 481 HA ALA 68 HA ALA 68 -6.942 -17.745 -20.024 482 1HB ALA 68 1HB ALA 68 -5.310 -15.953 -19.095 483 2HB ALA 68 2HB ALA 68 -5.978 -16.377 -17.501 484 3HB ALA 68 3HB ALA 68 -5.161 -17.618 -18.482 485 H ASN 69 H ASN 69 -9.144 -16.073 -17.892 486 HA ASN 69 HA ASN 69 -10.432 -16.724 -16.246 487 1HB ASN 69 1HB ASN 69 -11.776 -18.823 -16.765 488 2HB ASN 69 2HB ASN 69 -11.682 -17.699 -18.106 489 1HD2 ASN 69 2HD2 ASN 69 -11.135 -20.842 -17.025 490 2HD2 ASN 69 1HD2 ASN 69 -10.280 -21.486 -18.387 491 H LEU 70 H LEU 70 -8.863 -16.998 -14.504 492 HA LEU 70 HA LEU 70 -7.696 -19.642 -14.197 493 1HB LEU 70 1HB LEU 70 -7.311 -17.146 -12.541 494 2HB LEU 70 2HB LEU 70 -6.377 -18.625 -12.441 495 HG LEU 70 HG LEU 70 -4.921 -17.554 -13.759 496 1HD1 LEU 70 1HD1 LEU 70 -6.023 -19.265 -15.260 497 2HD1 LEU 70 2HD1 LEU 70 -6.915 -17.916 -16.002 498 3HD1 LEU 70 3HD1 LEU 70 -5.138 -17.958 -16.082 499 1HD2 LEU 70 1HD2 LEU 70 -7.200 -15.686 -14.277 500 2HD2 LEU 70 2HD2 LEU 70 -5.587 -15.368 -13.596 501 3HD2 LEU 70 3HD2 LEU 70 -5.777 -15.634 -15.346 502 HA PRO 71 HA PRO 71 -10.499 -20.881 -11.161 503 1HB PRO 71 1HB PRO 71 -8.982 -22.441 -9.507 504 2HB PRO 71 2HB PRO 71 -9.596 -22.997 -11.051 505 1HG PRO 71 1HG PRO 71 -6.843 -22.195 -10.332 506 2HG PRO 71 2HG PRO 71 -7.389 -23.137 -11.705 507 1HD PRO 71 1HD PRO 71 -6.594 -20.381 -11.722 508 2HD PRO 71 2HD PRO 71 -7.249 -21.291 -13.069 509 H ASN 72 H ASN 72 -11.034 -21.064 -8.740 510 HA ASN 72 HA ASN 72 -11.250 -18.730 -7.659 511 1HB ASN 72 1HB ASN 72 -10.596 -20.019 -5.348 512 2HB ASN 72 2HB ASN 72 -12.089 -20.336 -6.208 513 1HD2 ASN 72 2HD2 ASN 72 -12.228 -22.123 -7.631 514 2HD2 ASN 72 1HD2 ASN 72 -11.218 -23.517 -7.443 515 H ASN 73 H ASN 73 -8.756 -20.585 -5.882 516 HA ASN 73 HA ASN 73 -7.253 -18.319 -5.362 517 1HB ASN 73 1HB ASN 73 -7.337 -20.943 -4.429 518 2HB ASN 73 2HB ASN 73 -5.802 -20.926 -5.275 519 1HD2 ASN 73 2HD2 ASN 73 -4.149 -20.460 -4.063 520 2HD2 ASN 73 1HD2 ASN 73 -4.103 -19.389 -2.702 521 H ALA 74 H ALA 74 -7.673 -19.928 -8.264 522 HA ALA 74 HA ALA 74 -6.332 -20.459 -10.021 523 1HB ALA 74 1HB ALA 74 -5.308 -18.196 -10.843 524 2HB ALA 74 2HB ALA 74 -7.073 -18.327 -10.655 525 3HB ALA 74 3HB ALA 74 -6.104 -17.509 -9.406 526 H LYS 75 H LYS 75 -4.823 -21.979 -9.122 527 HA LYS 75 HA LYS 75 -2.414 -20.968 -7.932 528 1HB LYS 75 1HB LYS 75 -2.987 -23.808 -8.799 529 2HB LYS 75 2HB LYS 75 -1.847 -23.256 -7.589 530 1HG LYS 75 1HG LYS 75 -3.447 -23.284 -5.982 531 2HG LYS 75 2HG LYS 75 -4.479 -22.228 -6.925 532 1HD LYS 75 1HD LYS 75 -4.276 -25.171 -7.636 533 2HD LYS 75 2HD LYS 75 -5.312 -24.661 -6.317 534 1HE LYS 75 1HE LYS 75 -6.371 -22.976 -7.961 535 2HE LYS 75 2HE LYS 75 -5.489 -23.793 -9.236 536 1HZ LYS 75 1HZ LYS 75 -6.993 -25.381 -9.224 537 2HZ LYS 75 2HZ LYS 75 -6.799 -25.675 -7.630 538 3HZ LYS 75 3HZ LYS 75 -7.875 -24.552 -8.128 539 H LEU 76 H LEU 76 -0.586 -20.372 -8.973 540 HA LEU 76 HA LEU 76 -0.311 -21.286 -11.751 541 1HB LEU 76 1HB LEU 76 0.833 -18.672 -10.923 542 2HB LEU 76 2HB LEU 76 0.256 -19.209 -12.488 543 HG LEU 76 HG LEU 76 -1.858 -18.983 -10.445 544 1HD1 LEU 76 1HD1 LEU 76 -1.319 -16.309 -11.403 545 2HD1 LEU 76 2HD1 LEU 76 -1.574 -16.897 -9.742 546 3HD1 LEU 76 3HD1 LEU 76 0.055 -16.933 -10.459 547 1HD2 LEU 76 1HD2 LEU 76 -2.141 -17.414 -12.879 548 2HD2 LEU 76 2HD2 LEU 76 -1.681 -19.100 -13.217 549 3HD2 LEU 76 3HD2 LEU 76 -3.135 -18.750 -12.252 550 H GLU 77 H GLU 77 1.912 -21.569 -12.496 551 HA GLU 77 HA GLU 77 3.628 -22.199 -10.229 552 1HB GLU 77 1HB GLU 77 4.380 -24.054 -11.368 553 2HB GLU 77 2HB GLU 77 2.808 -23.915 -12.130 554 1HG GLU 77 1HG GLU 77 3.921 -22.457 -13.928 555 2HG GLU 77 2HG GLU 77 5.466 -22.882 -13.218 556 H MET 78 H MET 78 5.699 -21.310 -10.071 557 HA MET 78 HA MET 78 6.196 -19.166 -11.943 558 1HB MET 78 1HB MET 78 6.451 -19.452 -9.159 559 2HB MET 78 2HB MET 78 8.110 -19.610 -9.701 560 1HG MET 78 1HG MET 78 7.399 -17.453 -11.198 561 2HG MET 78 2HG MET 78 6.271 -17.236 -9.875 562 1HE MET 78 1HE MET 78 10.709 -16.588 -9.994 563 2HE MET 78 2HE MET 78 9.639 -17.285 -11.234 564 3HE MET 78 3HE MET 78 9.466 -15.576 -10.767 565 H VAL 79 H VAL 79 7.891 -19.133 -13.406 566 HA VAL 79 HA VAL 79 10.012 -21.090 -13.097 567 HB VAL 79 HB VAL 79 8.023 -22.041 -14.432 568 1HG1 VAL 79 1HG1 VAL 79 7.744 -19.922 -15.789 569 2HG1 VAL 79 2HG1 VAL 79 9.238 -20.367 -16.649 570 3HG1 VAL 79 3HG1 VAL 79 7.813 -21.431 -16.730 571 1HG2 VAL 79 1HG2 VAL 79 9.467 -23.418 -15.642 572 2HG2 VAL 79 2HG2 VAL 79 10.620 -22.100 -15.962 573 3HG2 VAL 79 3HG2 VAL 79 10.505 -22.805 -14.332 574 HA PRO 80 HA PRO 80 12.105 -17.579 -14.554 575 1HB PRO 80 1HB PRO 80 14.625 -18.625 -14.692 576 2HB PRO 80 2HB PRO 80 13.918 -18.021 -13.207 577 1HG PRO 80 1HG PRO 80 14.343 -20.821 -14.052 578 2HG PRO 80 2HG PRO 80 14.044 -20.194 -12.443 579 1HD PRO 80 1HD PRO 80 12.159 -21.533 -14.139 580 2HD PRO 80 2HD PRO 80 11.832 -20.803 -12.580 581 H VAL 81 H VAL 81 12.343 -16.556 -16.458 582 HA VAL 81 HA VAL 81 13.651 -17.476 -18.613 583 HB VAL 81 HB VAL 81 11.455 -18.225 -19.945 584 1HG1 VAL 81 1HG1 VAL 81 12.905 -19.881 -20.304 585 2HG1 VAL 81 2HG1 VAL 81 13.754 -19.530 -18.779 586 3HG1 VAL 81 3HG1 VAL 81 12.359 -20.636 -18.787 587 1HG2 VAL 81 1HG2 VAL 81 9.772 -19.087 -18.737 588 2HG2 VAL 81 2HG2 VAL 81 10.881 -19.916 -17.620 589 3HG2 VAL 81 3HG2 VAL 81 10.471 -18.204 -17.359 590 H SER 82 H SER 82 11.864 -16.739 -20.757 591 HA SER 82 HA SER 82 11.284 -14.003 -19.924 592 1HB SER 82 1HB SER 82 13.226 -14.087 -21.431 593 2HB SER 82 2HB SER 82 12.324 -15.033 -22.599 594 HG SER 82 HG SER 82 12.529 -12.437 -22.625 595 H ARG 83 H ARG 83 9.569 -12.917 -21.387 596 HA ARG 83 HA ARG 83 7.221 -14.040 -21.186 597 1HB ARG 83 1HB ARG 83 8.130 -12.434 -23.629 598 2HB ARG 83 2HB ARG 83 6.462 -12.637 -23.132 599 1HG ARG 83 1HG ARG 83 6.636 -11.010 -21.552 600 2HG ARG 83 2HG ARG 83 8.093 -11.715 -20.882 601 1HD ARG 83 1HD ARG 83 9.482 -10.611 -22.590 602 2HD ARG 83 2HD ARG 83 8.059 -10.029 -23.431 603 HE ARG 83 HE ARG 83 9.223 -8.910 -20.986 604 1HH1 ARG 83 2HH2 ARG 83 6.303 -9.159 -22.934 605 2HH1 ARG 83 1HH2 ARG 83 5.602 -7.708 -22.299 606 1HH2 ARG 83 2HH1 ARG 83 8.299 -6.996 -20.147 607 2HH2 ARG 83 1HH1 ARG 83 6.745 -6.470 -20.703 608 H SER 84 H SER 84 6.520 -16.086 -21.732 609 HA SER 84 HA SER 84 7.723 -17.698 -23.562 610 1HB SER 84 1HB SER 84 5.543 -19.012 -23.488 611 2HB SER 84 2HB SER 84 6.252 -18.653 -21.926 612 HG SER 84 HG SER 84 4.491 -16.667 -22.832 613 H ARG 85 H ARG 85 8.088 -16.961 -25.662 614 HA ARG 85 HA ARG 85 6.079 -15.508 -27.017 615 1HB ARG 85 1HB ARG 85 8.892 -16.131 -27.368 616 2HB ARG 85 2HB ARG 85 8.055 -16.513 -28.860 617 1HG ARG 85 1HG ARG 85 7.098 -14.250 -28.971 618 2HG ARG 85 2HG ARG 85 7.739 -13.856 -27.388 619 1HD ARG 85 1HD ARG 85 9.575 -14.707 -29.665 620 2HD ARG 85 2HD ARG 85 9.072 -13.039 -29.479 621 HE ARG 85 HE ARG 85 10.163 -14.257 -27.030 622 1HH1 ARG 85 2HH2 ARG 85 10.874 -12.412 -29.941 623 2HH1 ARG 85 1HH2 ARG 85 12.340 -11.739 -29.310 624 1HH2 ARG 85 2HH1 ARG 85 12.096 -13.369 -26.197 625 2HH2 ARG 85 1HH1 ARG 85 13.040 -12.287 -27.166 Start of MODEL 10 1 H SER 10 H SER 10 -11.771 -12.608 -6.402 2 HA SER 10 HA SER 10 -11.029 -15.209 -7.487 3 1HB SER 10 1HB SER 10 -10.512 -12.377 -8.461 4 2HB SER 10 2HB SER 10 -9.585 -13.735 -9.066 5 HG SER 10 HG SER 10 -11.677 -14.743 -9.663 6 H ALA 11 H ALA 11 -8.789 -15.887 -7.315 7 HA ALA 11 HA ALA 11 -7.029 -14.199 -5.741 8 1HB ALA 11 1HB ALA 11 -6.651 -16.543 -4.421 9 2HB ALA 11 2HB ALA 11 -7.748 -15.263 -3.852 10 3HB ALA 11 3HB ALA 11 -8.396 -16.654 -4.753 11 H VAL 12 H VAL 12 -4.852 -14.568 -6.222 12 HA VAL 12 HA VAL 12 -4.387 -16.715 -8.175 13 HB VAL 12 HB VAL 12 -3.973 -13.860 -8.318 14 1HG1 VAL 12 1HG1 VAL 12 -1.516 -15.556 -8.874 15 2HG1 VAL 12 2HG1 VAL 12 -1.695 -13.807 -9.157 16 3HG1 VAL 12 3HG1 VAL 12 -1.702 -14.446 -7.495 17 1HG2 VAL 12 1HG2 VAL 12 -5.055 -15.179 -10.059 18 2HG2 VAL 12 2HG2 VAL 12 -3.601 -14.382 -10.706 19 3HG2 VAL 12 3HG2 VAL 12 -3.563 -16.116 -10.309 20 H SER 13 H SER 13 -2.567 -18.014 -7.876 21 HA SER 13 HA SER 13 -0.991 -17.350 -5.517 22 1HB SER 13 1HB SER 13 -2.286 -19.119 -4.686 23 2HB SER 13 2HB SER 13 -2.385 -19.923 -6.240 24 HG SER 13 HG SER 13 0.221 -19.682 -5.165 25 H VAL 14 H VAL 14 1.242 -17.542 -5.792 26 HA VAL 14 HA VAL 14 2.104 -18.736 -8.336 27 HB VAL 14 HB VAL 14 3.730 -16.613 -7.053 28 1HG1 VAL 14 1HG1 VAL 14 4.520 -17.637 -9.092 29 2HG1 VAL 14 2HG1 VAL 14 2.973 -17.308 -9.910 30 3HG1 VAL 14 3HG1 VAL 14 4.039 -15.960 -9.446 31 1HG2 VAL 14 1HG2 VAL 14 1.023 -16.107 -8.300 32 2HG2 VAL 14 2HG2 VAL 14 1.684 -15.484 -6.769 33 3HG2 VAL 14 3HG2 VAL 14 2.313 -14.880 -8.321 34 H LEU 15 H LEU 15 3.258 -20.562 -8.026 35 HA LEU 15 HA LEU 15 4.590 -20.859 -5.434 36 1HB LEU 15 1HB LEU 15 4.298 -23.135 -5.600 37 2HB LEU 15 2HB LEU 15 2.804 -22.487 -6.249 38 HG LEU 15 HG LEU 15 4.205 -22.750 -8.548 39 1HD1 LEU 15 1HD1 LEU 15 5.729 -24.452 -8.601 40 2HD1 LEU 15 2HD1 LEU 15 6.047 -23.809 -6.972 41 3HD1 LEU 15 3HD1 LEU 15 5.045 -25.266 -7.174 42 1HD2 LEU 15 1HD2 LEU 15 2.440 -24.011 -9.004 43 2HD2 LEU 15 2HD2 LEU 15 3.048 -25.314 -7.954 44 3HD2 LEU 15 3HD2 LEU 15 2.034 -24.021 -7.271 45 H ALA 16 H ALA 16 6.679 -20.222 -5.470 46 HA ALA 16 HA ALA 16 8.131 -20.277 -7.958 47 1HB ALA 16 1HB ALA 16 9.565 -18.819 -6.908 48 2HB ALA 16 2HB ALA 16 8.134 -18.570 -5.879 49 3HB ALA 16 3HB ALA 16 9.441 -19.653 -5.341 50 HA PRO 17 HA PRO 17 9.809 -24.209 -7.160 51 1HB PRO 17 1HB PRO 17 11.551 -24.333 -9.262 52 2HB PRO 17 2HB PRO 17 9.849 -24.723 -9.404 53 1HG PRO 17 1HG PRO 17 11.278 -22.303 -10.320 54 2HG PRO 17 2HG PRO 17 9.707 -22.901 -10.812 55 1HD PRO 17 1HD PRO 17 10.229 -20.721 -9.023 56 2HD PRO 17 2HD PRO 17 8.662 -21.394 -9.425 57 H ASN 18 H ASN 18 11.367 -21.299 -6.834 58 HA ASN 18 HA ASN 18 13.923 -22.397 -6.291 59 1HB ASN 18 1HB ASN 18 14.515 -20.105 -5.633 60 2HB ASN 18 2HB ASN 18 13.534 -20.024 -7.083 61 1HD2 ASN 18 2HD2 ASN 18 13.619 -17.783 -5.835 62 2HD2 ASN 18 1HD2 ASN 18 12.206 -17.425 -4.900 63 H GLY 19 H GLY 19 11.056 -22.796 -4.740 64 1HA GLY 19 1HA GLY 19 10.813 -23.792 -2.659 65 2HA GLY 19 2HA GLY 19 12.322 -23.082 -2.120 66 H ARG 20 H ARG 20 10.255 -20.899 -3.886 67 HA ARG 20 HA ARG 20 9.449 -19.753 -1.334 68 1HB ARG 20 1HB ARG 20 10.054 -18.394 -4.007 69 2HB ARG 20 2HB ARG 20 9.371 -17.550 -2.631 70 1HG ARG 20 1HG ARG 20 11.460 -18.614 -1.340 71 2HG ARG 20 2HG ARG 20 12.137 -18.726 -2.953 72 1HD ARG 20 1HD ARG 20 12.379 -16.441 -3.162 73 2HD ARG 20 2HD ARG 20 10.874 -16.097 -2.333 74 HE ARG 20 HE ARG 20 13.521 -16.308 -1.116 75 1HH1 ARG 20 2HH2 ARG 20 10.067 -16.601 -0.509 76 2HH1 ARG 20 1HH2 ARG 20 10.210 -16.300 1.190 77 1HH2 ARG 20 2HH1 ARG 20 13.710 -15.911 1.126 78 2HH2 ARG 20 1HH1 ARG 20 12.297 -15.905 2.127 79 H ARG 21 H ARG 21 7.267 -19.997 -0.966 80 HA ARG 21 HA ARG 21 5.581 -20.126 -3.332 81 1HB ARG 21 1HB ARG 21 5.569 -21.534 -0.696 82 2HB ARG 21 2HB ARG 21 3.987 -21.036 -1.260 83 1HG ARG 21 1HG ARG 21 4.146 -23.116 -2.299 84 2HG ARG 21 2HG ARG 21 4.793 -22.095 -3.568 85 1HD ARG 21 1HD ARG 21 6.710 -23.308 -3.511 86 2HD ARG 21 2HD ARG 21 7.017 -22.693 -1.899 87 HE ARG 21 HE ARG 21 5.125 -24.932 -1.941 88 1HH1 ARG 21 2HH2 ARG 21 8.523 -24.028 -1.808 89 2HH1 ARG 21 1HH2 ARG 21 9.022 -25.516 -1.075 90 1HH2 ARG 21 2HH1 ARG 21 5.783 -26.895 -0.974 91 2HH2 ARG 21 1HH1 ARG 21 7.453 -27.158 -0.597 92 H HIS 22 H HIS 22 4.387 -18.284 -3.701 93 HA HIS 22 HA HIS 22 3.313 -16.906 -1.374 94 1HB HIS 22 1HB HIS 22 4.052 -14.768 -2.051 95 2HB HIS 22 2HB HIS 22 5.462 -15.809 -2.071 96 HD1 HIS 22 HD1 HIS 22 5.763 -16.971 -4.704 97 HD2 HIS 22 HD2 HIS 22 3.988 -13.196 -4.268 98 HE1 HIS 22 HE1 HIS 22 5.964 -15.820 -6.972 99 H THR 23 H THR 23 1.240 -16.078 -1.699 100 HA THR 23 HA THR 23 0.158 -16.479 -4.412 101 HB THR 23 HB THR 23 -1.880 -17.296 -3.355 102 HG1 THR 23 HG1 THR 23 -1.850 -17.230 -0.924 103 1HG2 THR 23 1HG2 THR 23 0.651 -18.396 -2.050 104 2HG2 THR 23 2HG2 THR 23 -0.958 -19.054 -1.667 105 3HG2 THR 23 3HG2 THR 23 -0.333 -19.142 -3.332 106 H VAL 24 H VAL 24 -0.841 -14.801 -5.376 107 HA VAL 24 HA VAL 24 -1.343 -12.465 -3.662 108 HB VAL 24 HB VAL 24 -0.220 -12.645 -6.459 109 1HG1 VAL 24 1HG1 VAL 24 -0.881 -10.071 -5.011 110 2HG1 VAL 24 2HG1 VAL 24 -0.413 -10.301 -6.713 111 3HG1 VAL 24 3HG1 VAL 24 -2.010 -10.847 -6.147 112 1HG2 VAL 24 1HG2 VAL 24 1.657 -12.743 -5.188 113 2HG2 VAL 24 2HG2 VAL 24 1.421 -10.981 -5.098 114 3HG2 VAL 24 3HG2 VAL 24 0.866 -12.023 -3.765 115 H LYS 25 H LYS 25 -3.347 -11.497 -3.839 116 HA LYS 25 HA LYS 25 -5.323 -13.010 -5.271 117 1HB LYS 25 1HB LYS 25 -6.919 -11.647 -4.109 118 2HB LYS 25 2HB LYS 25 -5.681 -12.144 -2.972 119 1HG LYS 25 1HG LYS 25 -5.113 -9.574 -4.374 120 2HG LYS 25 2HG LYS 25 -6.521 -9.537 -3.333 121 1HD LYS 25 1HD LYS 25 -5.271 -9.694 -1.416 122 2HD LYS 25 2HD LYS 25 -4.197 -10.900 -2.096 123 1HE LYS 25 1HE LYS 25 -3.226 -8.921 -3.528 124 2HE LYS 25 2HE LYS 25 -4.043 -7.878 -2.382 125 1HZ LYS 25 1HZ LYS 25 -2.722 -8.606 -0.683 126 2HZ LYS 25 2HZ LYS 25 -2.339 -10.025 -1.395 127 3HZ LYS 25 3HZ LYS 25 -1.659 -8.637 -1.923 128 H VAL 26 H VAL 26 -6.483 -12.390 -7.096 129 HA VAL 26 HA VAL 26 -5.771 -9.805 -8.261 130 HB VAL 26 HB VAL 26 -5.369 -10.799 -10.413 131 1HG1 VAL 26 1HG1 VAL 26 -3.362 -10.570 -9.226 132 2HG1 VAL 26 2HG1 VAL 26 -3.757 -11.900 -8.110 133 3HG1 VAL 26 3HG1 VAL 26 -3.322 -12.254 -9.799 134 1HG2 VAL 26 1HG2 VAL 26 -5.285 -13.220 -10.769 135 2HG2 VAL 26 2HG2 VAL 26 -5.787 -13.499 -9.083 136 3HG2 VAL 26 3HG2 VAL 26 -6.905 -12.717 -10.227 137 H THR 27 H THR 27 -7.304 -9.357 -10.211 138 HA THR 27 HA THR 27 -9.983 -10.220 -9.368 139 HB THR 27 HB THR 27 -9.587 -7.922 -11.248 140 HG1 THR 27 HG1 THR 27 -7.854 -7.450 -9.859 141 1HG2 THR 27 1HG2 THR 27 -11.728 -7.747 -10.380 142 2HG2 THR 27 2HG2 THR 27 -11.323 -8.712 -8.940 143 3HG2 THR 27 3HG2 THR 27 -10.885 -6.988 -9.008 144 HA PRO 28 HA PRO 28 -10.587 -12.323 -13.057 145 1HB PRO 28 1HB PRO 28 -13.302 -12.192 -13.339 146 2HB PRO 28 2HB PRO 28 -12.504 -13.320 -12.261 147 1HG PRO 28 1HG PRO 28 -13.970 -10.840 -11.595 148 2HG PRO 28 2HG PRO 28 -13.543 -12.178 -10.547 149 1HD PRO 28 1HD PRO 28 -12.258 -9.617 -10.670 150 2HD PRO 28 2HD PRO 28 -11.761 -10.994 -9.707 151 H SER 29 H SER 29 -11.216 -9.041 -12.819 152 HA SER 29 HA SER 29 -11.514 -8.952 -15.719 153 1HB SER 29 1HB SER 29 -12.342 -6.530 -15.177 154 2HB SER 29 2HB SER 29 -13.428 -7.876 -14.892 155 HG SER 29 HG SER 29 -12.126 -6.174 -13.042 156 H THR 30 H THR 30 -9.325 -8.611 -13.182 157 HA THR 30 HA THR 30 -7.923 -6.319 -14.300 158 HB THR 30 HB THR 30 -7.696 -8.069 -11.817 159 HG1 THR 30 HG1 THR 30 -7.789 -5.682 -11.071 160 1HG2 THR 30 1HG2 THR 30 -5.681 -6.987 -11.163 161 2HG2 THR 30 2HG2 THR 30 -5.368 -7.378 -12.871 162 3HG2 THR 30 3HG2 THR 30 -5.848 -5.727 -12.410 163 H VAL 31 H VAL 31 -5.973 -6.359 -15.370 164 HA VAL 31 HA VAL 31 -5.401 -8.832 -16.692 165 HB VAL 31 HB VAL 31 -3.546 -7.366 -17.682 166 1HG1 VAL 31 1HG1 VAL 31 -6.346 -7.555 -18.191 167 2HG1 VAL 31 2HG1 VAL 31 -5.846 -5.876 -18.508 168 3HG1 VAL 31 3HG1 VAL 31 -5.028 -7.220 -19.340 169 1HG2 VAL 31 1HG2 VAL 31 -5.110 -4.998 -16.747 170 2HG2 VAL 31 2HG2 VAL 31 -3.937 -5.718 -15.619 171 3HG2 VAL 31 3HG2 VAL 31 -3.397 -5.132 -17.210 172 H LEU 32 H LEU 32 -3.569 -10.151 -16.465 173 HA LEU 32 HA LEU 32 -2.459 -10.195 -13.863 174 1HB LEU 32 1HB LEU 32 -1.949 -11.747 -16.393 175 2HB LEU 32 2HB LEU 32 -1.024 -12.017 -14.929 176 HG LEU 32 HG LEU 32 -4.034 -12.165 -14.900 177 1HD1 LEU 32 1HD1 LEU 32 -3.962 -13.867 -16.342 178 2HD1 LEU 32 2HD1 LEU 32 -2.189 -13.988 -16.252 179 3HD1 LEU 32 3HD1 LEU 32 -3.198 -14.791 -15.026 180 1HD2 LEU 32 1HD2 LEU 32 -2.704 -14.048 -13.205 181 2HD2 LEU 32 2HD2 LEU 32 -1.994 -12.436 -12.949 182 3HD2 LEU 32 3HD2 LEU 32 -3.748 -12.675 -12.763 183 H LEU 33 H LEU 33 -1.665 -8.554 -16.837 184 HA LEU 33 HA LEU 33 1.105 -8.364 -16.517 185 1HB LEU 33 1HB LEU 33 0.969 -6.559 -18.099 186 2HB LEU 33 2HB LEU 33 -0.058 -7.890 -18.593 187 HG LEU 33 HG LEU 33 -1.891 -6.403 -17.287 188 1HD1 LEU 33 1HD1 LEU 33 -1.290 -4.000 -18.299 189 2HD1 LEU 33 2HD1 LEU 33 -0.866 -4.488 -16.640 190 3HD1 LEU 33 3HD1 LEU 33 0.357 -4.567 -17.932 191 1HD2 LEU 33 1HD2 LEU 33 -0.998 -6.576 -20.115 192 2HD2 LEU 33 2HD2 LEU 33 -2.564 -6.978 -19.372 193 3HD2 LEU 33 3HD2 LEU 33 -2.148 -5.280 -19.708 194 H GLN 34 H GLN 34 -1.641 -6.423 -15.232 195 HA GLN 34 HA GLN 34 0.006 -4.457 -14.119 196 1HB GLN 34 1HB GLN 34 -1.974 -3.576 -13.188 197 2HB GLN 34 2HB GLN 34 -2.543 -4.404 -14.624 198 1HG GLN 34 1HG GLN 34 -4.042 -5.294 -13.101 199 2HG GLN 34 2HG GLN 34 -2.761 -6.476 -12.922 200 1HE2 GLN 34 2HE2 GLN 34 -4.525 -3.896 -11.492 201 2HE2 GLN 34 1HE2 GLN 34 -3.817 -3.924 -9.911 202 H VAL 35 H VAL 35 -1.363 -7.556 -12.910 203 HA VAL 35 HA VAL 35 -0.486 -7.138 -10.240 204 HB VAL 35 HB VAL 35 -1.472 -9.141 -9.802 205 1HG1 VAL 35 1HG1 VAL 35 -2.802 -8.820 -12.485 206 2HG1 VAL 35 2HG1 VAL 35 -3.520 -9.209 -10.903 207 3HG1 VAL 35 3HG1 VAL 35 -2.960 -7.554 -11.243 208 1HG2 VAL 35 1HG2 VAL 35 0.185 -10.408 -11.235 209 2HG2 VAL 35 2HG2 VAL 35 -1.451 -11.106 -11.156 210 3HG2 VAL 35 3HG2 VAL 35 -0.942 -10.191 -12.596 211 H LEU 36 H LEU 36 0.768 -8.929 -13.118 212 HA LEU 36 HA LEU 36 2.964 -10.052 -11.813 213 1HB LEU 36 1HB LEU 36 1.939 -10.654 -14.045 214 2HB LEU 36 2HB LEU 36 2.789 -9.280 -14.723 215 HG LEU 36 HG LEU 36 4.226 -11.498 -13.256 216 1HD1 LEU 36 1HD1 LEU 36 3.001 -12.536 -15.077 217 2HD1 LEU 36 2HD1 LEU 36 3.626 -11.325 -16.222 218 3HD1 LEU 36 3HD1 LEU 36 4.740 -12.483 -15.454 219 1HD2 LEU 36 1HD2 LEU 36 6.187 -10.689 -14.439 220 2HD2 LEU 36 2HD2 LEU 36 5.205 -9.465 -15.280 221 3HD2 LEU 36 3HD2 LEU 36 5.430 -9.367 -13.517 222 H GLU 37 H GLU 37 2.551 -6.942 -13.610 223 HA GLU 37 HA GLU 37 5.214 -6.193 -13.369 224 1HB GLU 37 1HB GLU 37 2.693 -4.510 -13.697 225 2HB GLU 37 2HB GLU 37 4.318 -3.876 -13.865 226 1HG GLU 37 1HG GLU 37 3.723 -6.342 -15.456 227 2HG GLU 37 2HG GLU 37 2.861 -4.898 -15.949 228 H ASP 38 H ASP 38 2.329 -5.686 -11.278 229 HA ASP 38 HA ASP 38 3.495 -3.859 -9.568 230 1HB ASP 38 1HB ASP 38 1.161 -5.700 -9.557 231 2HB ASP 38 2HB ASP 38 1.761 -5.321 -7.955 232 H THR 39 H THR 39 3.052 -7.471 -9.308 233 HA THR 39 HA THR 39 4.450 -7.779 -6.906 234 HB THR 39 HB THR 39 4.058 -9.739 -9.229 235 HG1 THR 39 HG1 THR 39 2.127 -10.171 -7.729 236 1HG2 THR 39 1HG2 THR 39 4.244 -11.473 -7.607 237 2HG2 THR 39 2HG2 THR 39 5.554 -10.361 -7.140 238 3HG2 THR 39 3HG2 THR 39 4.013 -10.346 -6.249 239 H CYS 40 H CYS 40 5.560 -7.532 -10.286 240 HA CYS 40 HA CYS 40 8.151 -8.480 -9.765 241 1HB CYS 40 1HB CYS 40 6.841 -6.966 -12.000 242 2HB CYS 40 2HB CYS 40 8.591 -7.028 -11.941 243 HG CYS 40 HG CYS 40 6.657 -9.672 -11.509 244 H ARG 41 H ARG 41 6.491 -5.307 -9.575 245 HA ARG 41 HA ARG 41 8.813 -3.797 -9.305 246 1HB ARG 41 1HB ARG 41 7.290 -2.105 -9.395 247 2HB ARG 41 2HB ARG 41 6.028 -3.320 -9.447 248 1HG ARG 41 1HG ARG 41 5.412 -2.005 -7.582 249 2HG ARG 41 2HG ARG 41 6.222 -3.372 -6.843 250 1HD ARG 41 1HD ARG 41 8.379 -1.988 -6.855 251 2HD ARG 41 2HD ARG 41 7.425 -0.616 -7.381 252 HE ARG 41 HE ARG 41 7.450 -1.804 -4.702 253 1HH1 ARG 41 2HH2 ARG 41 5.619 0.177 -6.961 254 2HH1 ARG 41 1HH2 ARG 41 4.700 0.966 -5.722 255 1HH2 ARG 41 2HH1 ARG 41 6.237 -0.764 -3.067 256 2HH2 ARG 41 1HH1 ARG 41 5.054 0.427 -3.493 257 H ARG 42 H ARG 42 6.472 -5.207 -6.918 258 HA ARG 42 HA ARG 42 7.921 -4.203 -4.720 259 1HB ARG 42 1HB ARG 42 6.396 -5.976 -3.490 260 2HB ARG 42 2HB ARG 42 5.645 -4.576 -4.230 261 1HG ARG 42 1HG ARG 42 5.889 -6.603 -6.266 262 2HG ARG 42 2HG ARG 42 5.223 -7.370 -4.838 263 1HD ARG 42 1HD ARG 42 4.126 -4.765 -5.996 264 2HD ARG 42 2HD ARG 42 3.497 -6.343 -6.423 265 HE ARG 42 HE ARG 42 3.380 -6.442 -3.692 266 1HH1 ARG 42 2HH2 ARG 42 2.324 -3.998 -5.993 267 2HH1 ARG 42 1HH2 ARG 42 1.030 -3.430 -4.992 268 1HH2 ARG 42 2HH1 ARG 42 1.673 -5.693 -2.370 269 2HH2 ARG 42 1HH1 ARG 42 0.657 -4.401 -2.916 270 H GLN 43 H GLN 43 7.766 -7.283 -6.556 271 HA GLN 43 HA GLN 43 9.642 -8.467 -4.697 272 1HB GLN 43 1HB GLN 43 8.914 -10.526 -5.445 273 2HB GLN 43 2HB GLN 43 7.486 -9.585 -5.824 274 1HG GLN 43 1HG GLN 43 8.547 -9.184 -8.155 275 2HG GLN 43 2HG GLN 43 9.710 -10.425 -7.730 276 1HE2 GLN 43 2HE2 GLN 43 7.312 -10.098 -9.635 277 2HE2 GLN 43 1HE2 GLN 43 6.416 -11.571 -9.465 278 H ASP 44 H ASP 44 10.025 -6.257 -6.956 279 HA ASP 44 HA ASP 44 11.386 -5.845 -8.644 280 1HB ASP 44 1HB ASP 44 13.809 -6.161 -7.995 281 2HB ASP 44 2HB ASP 44 12.832 -5.403 -6.753 282 H PHE 45 H PHE 45 10.244 -7.727 -9.915 283 HA PHE 45 HA PHE 45 12.280 -9.731 -10.586 284 1HB PHE 45 1HB PHE 45 9.421 -9.897 -9.737 285 2HB PHE 45 2HB PHE 45 9.728 -10.776 -11.221 286 HD1 PHE 45 HD1 PHE 45 12.152 -10.375 -8.456 287 HD2 PHE 45 HD2 PHE 45 9.431 -12.978 -10.413 288 HE1 PHE 45 HE1 PHE 45 13.045 -12.308 -7.127 289 HE2 PHE 45 HE2 PHE 45 10.324 -14.911 -9.084 290 HZ PHE 45 HZ PHE 45 12.121 -14.553 -7.457 291 H ASN 46 H ASN 46 12.071 -10.597 -12.836 292 HA ASN 46 HA ASN 46 10.845 -8.581 -14.549 293 1HB ASN 46 1HB ASN 46 13.554 -9.876 -14.591 294 2HB ASN 46 2HB ASN 46 12.783 -9.700 -16.155 295 1HD2 ASN 46 2HD2 ASN 46 12.864 -7.825 -17.164 296 2HD2 ASN 46 1HD2 ASN 46 13.383 -6.313 -16.498 297 HA PRO 47 HA PRO 47 8.824 -12.084 -16.263 298 1HB PRO 47 1HB PRO 47 7.855 -11.009 -18.581 299 2HB PRO 47 2HB PRO 47 7.073 -10.798 -17.027 300 1HG PRO 47 1HG PRO 47 8.679 -8.856 -18.573 301 2HG PRO 47 2HG PRO 47 7.556 -8.555 -17.261 302 1HD PRO 47 1HD PRO 47 10.420 -8.541 -17.106 303 2HD PRO 47 2HD PRO 47 9.298 -8.355 -15.773 304 H SER 48 H SER 48 11.103 -10.354 -18.257 305 HA SER 48 HA SER 48 11.322 -12.358 -20.170 306 1HB SER 48 1HB SER 48 12.121 -9.942 -20.335 307 2HB SER 48 2HB SER 48 13.482 -10.382 -19.323 308 HG SER 48 HG SER 48 13.050 -10.873 -22.032 309 H GLU 49 H GLU 49 12.108 -12.388 -16.874 310 HA GLU 49 HA GLU 49 14.077 -14.485 -17.359 311 1HB GLU 49 1HB GLU 49 14.013 -12.425 -15.114 312 2HB GLU 49 2HB GLU 49 15.047 -13.840 -15.090 313 1HG GLU 49 1HG GLU 49 15.605 -12.838 -17.602 314 2HG GLU 49 2HG GLU 49 15.269 -11.357 -16.728 315 H TYR 50 H TYR 50 10.948 -13.835 -16.481 316 HA TYR 50 HA TYR 50 10.815 -16.287 -14.908 317 1HB TYR 50 1HB TYR 50 9.758 -13.475 -14.243 318 2HB TYR 50 2HB TYR 50 9.105 -14.901 -13.462 319 HD1 TYR 50 HD1 TYR 50 10.837 -12.322 -12.508 320 HD2 TYR 50 HD2 TYR 50 11.594 -16.501 -13.030 321 HE1 TYR 50 HE1 TYR 50 12.680 -12.214 -10.760 322 HE2 TYR 50 HE2 TYR 50 13.434 -16.378 -11.280 323 HH TYR 50 HH TYR 50 14.791 -13.550 -10.287 324 H ASP 51 H ASP 51 8.964 -17.502 -15.304 325 HA ASP 51 HA ASP 51 6.996 -16.207 -17.015 326 1HB ASP 51 1HB ASP 51 8.562 -18.727 -17.432 327 2HB ASP 51 2HB ASP 51 6.858 -18.821 -17.833 328 H LEU 52 H LEU 52 4.790 -17.042 -16.695 329 HA LEU 52 HA LEU 52 4.539 -18.803 -14.357 330 1HB LEU 52 1HB LEU 52 2.714 -16.506 -15.068 331 2HB LEU 52 2HB LEU 52 2.611 -17.543 -13.659 332 HG LEU 52 HG LEU 52 5.015 -16.635 -13.136 333 1HD1 LEU 52 1HD1 LEU 52 4.511 -15.245 -15.516 334 2HD1 LEU 52 2HD1 LEU 52 4.336 -14.041 -14.217 335 3HD1 LEU 52 3HD1 LEU 52 5.841 -14.980 -14.363 336 1HD2 LEU 52 1HD2 LEU 52 3.433 -16.157 -11.540 337 2HD2 LEU 52 2HD2 LEU 52 3.834 -14.523 -12.119 338 3HD2 LEU 52 3HD2 LEU 52 2.355 -15.331 -12.691 339 H LYS 53 H LYS 53 3.188 -20.552 -14.572 340 HA LYS 53 HA LYS 53 1.318 -20.581 -16.782 341 1HB LYS 53 1HB LYS 53 3.439 -21.369 -17.782 342 2HB LYS 53 2HB LYS 53 3.544 -22.632 -16.572 343 1HG LYS 53 1HG LYS 53 0.975 -22.439 -18.128 344 2HG LYS 53 2HG LYS 53 2.384 -23.027 -18.988 345 1HD LYS 53 1HD LYS 53 1.596 -24.171 -16.279 346 2HD LYS 53 2HD LYS 53 0.884 -24.774 -17.763 347 1HE LYS 53 1HE LYS 53 3.851 -24.546 -17.853 348 2HE LYS 53 2HE LYS 53 3.261 -25.685 -16.659 349 1HZ LYS 53 1HZ LYS 53 2.332 -25.690 -19.442 350 2HZ LYS 53 2HZ LYS 53 3.593 -26.589 -18.923 351 3HZ LYS 53 3HZ LYS 53 2.100 -26.850 -18.316 352 H PHE 54 H PHE 54 -0.454 -21.935 -16.392 353 HA PHE 54 HA PHE 54 -0.316 -23.459 -13.893 354 1HB PHE 54 1HB PHE 54 -1.611 -21.589 -13.221 355 2HB PHE 54 2HB PHE 54 -2.131 -21.243 -14.859 356 HD1 PHE 54 HD1 PHE 54 -2.557 -23.954 -12.317 357 HD2 PHE 54 HD2 PHE 54 -4.359 -21.561 -15.322 358 HE1 PHE 54 HE1 PHE 54 -4.776 -25.026 -11.840 359 HE2 PHE 54 HE2 PHE 54 -6.578 -22.633 -14.845 360 HZ PHE 54 HZ PHE 54 -6.760 -24.353 -13.109 361 H GLN 55 H GLN 55 -0.629 -25.573 -14.397 362 HA GLN 55 HA GLN 55 -1.390 -27.378 -15.333 363 1HB GLN 55 1HB GLN 55 -3.826 -25.600 -15.658 364 2HB GLN 55 2HB GLN 55 -3.844 -27.248 -16.254 365 1HG GLN 55 1HG GLN 55 -2.981 -26.628 -13.404 366 2HG GLN 55 2HG GLN 55 -4.676 -26.800 -13.813 367 1HE2 GLN 55 2HE2 GLN 55 -2.964 -28.422 -12.101 368 2HE2 GLN 55 1HE2 GLN 55 -3.021 -30.047 -12.698 369 H ARG 56 H ARG 56 -3.534 -25.992 -17.702 370 HA ARG 56 HA ARG 56 -1.476 -26.475 -19.700 371 1HB ARG 56 1HB ARG 56 -4.517 -26.726 -19.807 372 2HB ARG 56 2HB ARG 56 -3.538 -26.739 -21.260 373 1HG ARG 56 1HG ARG 56 -2.381 -28.569 -19.318 374 2HG ARG 56 2HG ARG 56 -4.087 -28.928 -19.498 375 1HD ARG 56 1HD ARG 56 -2.559 -28.427 -22.036 376 2HD ARG 56 2HD ARG 56 -2.179 -29.908 -21.181 377 HE ARG 56 HE ARG 56 -5.050 -29.535 -21.398 378 1HH1 ARG 56 2HH2 ARG 56 -2.210 -30.576 -23.196 379 2HH1 ARG 56 1HH2 ARG 56 -3.108 -31.596 -24.271 380 1HH2 ARG 56 2HH1 ARG 56 -6.234 -30.880 -22.816 381 2HH2 ARG 56 1HH1 ARG 56 -5.412 -31.769 -24.054 382 H THR 57 H THR 57 -2.383 -23.951 -18.045 383 HA THR 57 HA THR 57 -2.761 -22.208 -20.391 384 HB THR 57 HB THR 57 -3.963 -22.128 -17.585 385 HG1 THR 57 HG1 THR 57 -5.628 -22.813 -18.868 386 1HG2 THR 57 1HG2 THR 57 -3.129 -19.856 -19.116 387 2HG2 THR 57 2HG2 THR 57 -4.881 -20.025 -19.381 388 3HG2 THR 57 3HG2 THR 57 -4.242 -19.865 -17.727 389 H VAL 58 H VAL 58 -1.147 -20.841 -20.807 390 HA VAL 58 HA VAL 58 1.003 -20.687 -18.895 391 HB VAL 58 HB VAL 58 2.235 -19.694 -20.642 392 1HG1 VAL 58 1HG1 VAL 58 1.742 -22.108 -20.914 393 2HG1 VAL 58 2HG1 VAL 58 0.353 -21.691 -21.945 394 3HG1 VAL 58 3HG1 VAL 58 2.004 -21.284 -22.470 395 1HG2 VAL 58 1HG2 VAL 58 0.441 -18.047 -21.288 396 2HG2 VAL 58 2HG2 VAL 58 1.334 -18.757 -22.654 397 3HG2 VAL 58 3HG2 VAL 58 -0.303 -19.336 -22.264 398 H LEU 59 H LEU 59 1.649 -18.858 -17.733 399 HA LEU 59 HA LEU 59 -0.279 -16.642 -17.823 400 1HB LEU 59 1HB LEU 59 1.077 -18.036 -15.544 401 2HB LEU 59 2HB LEU 59 0.621 -16.351 -15.387 402 HG LEU 59 HG LEU 59 -1.163 -17.520 -14.447 403 1HD1 LEU 59 1HD1 LEU 59 -2.939 -16.691 -15.588 404 2HD1 LEU 59 2HD1 LEU 59 -1.645 -15.889 -16.511 405 3HD1 LEU 59 3HD1 LEU 59 -2.404 -17.369 -17.145 406 1HD2 LEU 59 1HD2 LEU 59 -2.315 -19.421 -15.718 407 2HD2 LEU 59 2HD2 LEU 59 -0.848 -19.472 -16.724 408 3HD2 LEU 59 3HD2 LEU 59 -0.736 -19.762 -14.972 409 H ASP 60 H ASP 60 0.543 -14.811 -18.665 410 HA ASP 60 HA ASP 60 3.313 -14.230 -18.049 411 1HB ASP 60 1HB ASP 60 2.793 -15.265 -20.468 412 2HB ASP 60 2HB ASP 60 2.269 -13.631 -20.822 413 H LEU 61 H LEU 61 2.994 -11.964 -20.180 414 HA LEU 61 HA LEU 61 1.576 -10.154 -18.408 415 1HB LEU 61 1HB LEU 61 3.360 -9.709 -20.802 416 2HB LEU 61 2HB LEU 61 2.565 -8.422 -19.918 417 HG LEU 61 HG LEU 61 4.347 -10.357 -18.461 418 1HD1 LEU 61 1HD1 LEU 61 5.690 -7.896 -19.297 419 2HD1 LEU 61 2HD1 LEU 61 6.265 -9.581 -19.295 420 3HD1 LEU 61 3HD1 LEU 61 5.288 -8.976 -20.654 421 1HD2 LEU 61 1HD2 LEU 61 3.960 -9.021 -16.735 422 2HD2 LEU 61 2HD2 LEU 61 4.540 -7.608 -17.649 423 3HD2 LEU 61 3HD2 LEU 61 2.828 -8.087 -17.742 424 H SER 62 H SER 62 1.416 -11.558 -21.702 425 HA SER 62 HA SER 62 -0.914 -9.968 -22.260 426 1HB SER 62 1HB SER 62 -0.818 -11.033 -24.493 427 2HB SER 62 2HB SER 62 0.728 -10.334 -24.055 428 HG SER 62 HG SER 62 0.977 -12.757 -23.135 429 H LEU 63 H LEU 63 -1.257 -11.649 -20.004 430 HA LEU 63 HA LEU 63 -3.215 -13.542 -21.083 431 1HB LEU 63 1HB LEU 63 -1.157 -14.071 -18.941 432 2HB LEU 63 2HB LEU 63 -2.585 -15.061 -19.171 433 HG LEU 63 HG LEU 63 -0.740 -16.149 -20.225 434 1HD1 LEU 63 1HD1 LEU 63 -1.881 -15.148 -22.736 435 2HD1 LEU 63 2HD1 LEU 63 -1.887 -16.785 -22.036 436 3HD1 LEU 63 3HD1 LEU 63 -3.099 -15.590 -21.515 437 1HD2 LEU 63 1HD2 LEU 63 -0.116 -14.207 -22.310 438 2HD2 LEU 63 2HD2 LEU 63 0.257 -13.604 -20.677 439 3HD2 LEU 63 3HD2 LEU 63 0.963 -15.137 -21.243 440 H GLN 64 H GLN 64 -5.069 -12.424 -20.623 441 HA GLN 64 HA GLN 64 -5.220 -11.139 -18.040 442 1HB GLN 64 1HB GLN 64 -7.156 -11.105 -20.398 443 2HB GLN 64 2HB GLN 64 -7.336 -10.155 -18.937 444 1HG GLN 64 1HG GLN 64 -6.254 -8.593 -20.277 445 2HG GLN 64 2HG GLN 64 -4.859 -9.342 -19.527 446 1HE2 GLN 64 2HE2 GLN 64 -6.732 -8.942 -22.406 447 2HE2 GLN 64 1HE2 GLN 64 -5.661 -9.714 -23.527 448 H TRP 65 H TRP 65 -6.858 -11.638 -16.471 449 HA TRP 65 HA TRP 65 -7.469 -14.362 -16.264 450 1HB TRP 65 1HB TRP 65 -7.184 -12.962 -14.325 451 2HB TRP 65 2HB TRP 65 -8.531 -11.944 -14.798 452 HD1 TRP 65 HD1 TRP 65 -10.829 -14.008 -15.317 453 HE1 TRP 65 HE1 TRP 65 -11.884 -15.540 -13.446 454 HE3 TRP 65 HE3 TRP 65 -6.857 -13.779 -12.151 455 HZ2 TRP 65 HZ2 TRP 65 -10.961 -16.464 -10.909 456 HZ3 TRP 65 HZ3 TRP 65 -7.015 -15.025 -9.997 457 HH2 TRP 65 HH2 TRP 65 -8.977 -16.334 -9.357 458 H ARG 66 H ARG 66 -9.268 -11.466 -17.422 459 HA ARG 66 HA ARG 66 -11.740 -12.633 -17.594 460 1HB ARG 66 1HB ARG 66 -12.220 -10.838 -19.293 461 2HB ARG 66 2HB ARG 66 -11.407 -10.215 -17.871 462 1HG ARG 66 1HG ARG 66 -9.203 -10.744 -19.318 463 2HG ARG 66 2HG ARG 66 -10.323 -10.609 -20.660 464 1HD ARG 66 1HD ARG 66 -10.112 -8.472 -18.490 465 2HD ARG 66 2HD ARG 66 -9.131 -8.435 -19.941 466 HE ARG 66 HE ARG 66 -11.775 -8.777 -20.838 467 1HH1 ARG 66 2HH2 ARG 66 -9.991 -6.374 -18.988 468 2HH1 ARG 66 1HH2 ARG 66 -10.991 -5.055 -19.495 469 1HH2 ARG 66 2HH1 ARG 66 -13.095 -7.036 -21.508 470 2HH2 ARG 66 1HH1 ARG 66 -12.768 -5.434 -20.939 471 H PHE 67 H PHE 67 -8.848 -13.341 -19.328 472 HA PHE 67 HA PHE 67 -10.402 -14.605 -21.475 473 1HB PHE 67 1HB PHE 67 -7.616 -13.365 -21.225 474 2HB PHE 67 2HB PHE 67 -7.930 -14.526 -22.500 475 HD1 PHE 67 HD1 PHE 67 -10.707 -13.768 -23.257 476 HD2 PHE 67 HD2 PHE 67 -7.328 -11.358 -22.375 477 HE1 PHE 67 HE1 PHE 67 -11.638 -11.935 -24.698 478 HE2 PHE 67 HE2 PHE 67 -8.258 -9.525 -23.816 479 HZ PHE 67 HZ PHE 67 -10.402 -9.836 -24.960 480 H ALA 68 H ALA 68 -7.151 -14.964 -19.874 481 HA ALA 68 HA ALA 68 -6.858 -17.644 -20.396 482 1HB ALA 68 1HB ALA 68 -5.384 -15.688 -19.205 483 2HB ALA 68 2HB ALA 68 -5.840 -16.654 -17.781 484 3HB ALA 68 3HB ALA 68 -4.971 -17.417 -19.134 485 H ASN 69 H ASN 69 -9.061 -16.025 -18.225 486 HA ASN 69 HA ASN 69 -10.369 -16.714 -16.615 487 1HB ASN 69 1HB ASN 69 -11.649 -18.857 -17.155 488 2HB ASN 69 2HB ASN 69 -11.595 -17.704 -18.473 489 1HD2 ASN 69 2HD2 ASN 69 -10.894 -20.843 -17.427 490 2HD2 ASN 69 1HD2 ASN 69 -10.040 -21.434 -18.813 491 H LEU 70 H LEU 70 -8.961 -16.997 -14.782 492 HA LEU 70 HA LEU 70 -7.759 -19.646 -14.478 493 1HB LEU 70 1HB LEU 70 -7.243 -17.213 -12.782 494 2HB LEU 70 2HB LEU 70 -6.280 -18.671 -12.916 495 HG LEU 70 HG LEU 70 -4.994 -17.339 -14.207 496 1HD1 LEU 70 1HD1 LEU 70 -6.929 -17.673 -16.466 497 2HD1 LEU 70 2HD1 LEU 70 -5.167 -17.925 -16.416 498 3HD1 LEU 70 3HD1 LEU 70 -6.258 -19.121 -15.677 499 1HD2 LEU 70 1HD2 LEU 70 -6.039 -15.266 -13.843 500 2HD2 LEU 70 2HD2 LEU 70 -5.947 -15.435 -15.612 501 3HD2 LEU 70 3HD2 LEU 70 -7.486 -15.732 -14.769 502 HA PRO 71 HA PRO 71 -10.465 -20.681 -11.278 503 1HB PRO 71 1HB PRO 71 -8.907 -22.017 -9.473 504 2HB PRO 71 2HB PRO 71 -9.490 -22.742 -10.958 505 1HG PRO 71 1HG PRO 71 -6.772 -21.777 -10.308 506 2HG PRO 71 2HG PRO 71 -7.274 -22.868 -11.585 507 1HD PRO 71 1HD PRO 71 -6.575 -20.100 -11.867 508 2HD PRO 71 2HD PRO 71 -7.187 -21.160 -13.122 509 H ASN 72 H ASN 72 -11.015 -20.644 -8.855 510 HA ASN 72 HA ASN 72 -11.124 -18.096 -8.083 511 1HB ASN 72 1HB ASN 72 -11.006 -19.256 -5.623 512 2HB ASN 72 2HB ASN 72 -12.398 -19.431 -6.673 513 1HD2 ASN 72 2HD2 ASN 72 -12.604 -21.298 -7.988 514 2HD2 ASN 72 1HD2 ASN 72 -11.862 -22.801 -7.550 515 H ASN 73 H ASN 73 -8.999 -20.403 -6.244 516 HA ASN 73 HA ASN 73 -7.367 -18.388 -5.285 517 1HB ASN 73 1HB ASN 73 -7.566 -21.286 -5.113 518 2HB ASN 73 2HB ASN 73 -5.885 -20.861 -5.367 519 1HD2 ASN 73 2HD2 ASN 73 -6.634 -22.025 -3.053 520 2HD2 ASN 73 1HD2 ASN 73 -6.545 -20.921 -1.721 521 H ALA 74 H ALA 74 -7.707 -19.497 -8.431 522 HA ALA 74 HA ALA 74 -6.202 -19.947 -10.120 523 1HB ALA 74 1HB ALA 74 -6.240 -17.922 -11.122 524 2HB ALA 74 2HB ALA 74 -6.963 -17.322 -9.610 525 3HB ALA 74 3HB ALA 74 -5.207 -17.192 -9.869 526 H LYS 75 H LYS 75 -4.668 -21.460 -9.279 527 HA LYS 75 HA LYS 75 -2.302 -20.298 -8.036 528 1HB LYS 75 1HB LYS 75 -1.732 -22.558 -7.419 529 2HB LYS 75 2HB LYS 75 -3.392 -22.235 -6.961 530 1HG LYS 75 1HG LYS 75 -4.031 -24.056 -8.148 531 2HG LYS 75 2HG LYS 75 -3.551 -23.226 -9.616 532 1HD LYS 75 1HD LYS 75 -1.104 -24.040 -8.908 533 2HD LYS 75 2HD LYS 75 -1.990 -25.228 -7.973 534 1HE LYS 75 1HE LYS 75 -3.252 -25.193 -10.525 535 2HE LYS 75 2HE LYS 75 -1.533 -25.129 -10.859 536 1HZ LYS 75 1HZ LYS 75 -2.676 -27.056 -8.970 537 2HZ LYS 75 2HZ LYS 75 -2.519 -27.381 -10.562 538 3HZ LYS 75 3HZ LYS 75 -1.194 -27.085 -9.655 539 H LEU 76 H LEU 76 -0.568 -19.758 -9.239 540 HA LEU 76 HA LEU 76 -0.291 -21.130 -11.823 541 1HB LEU 76 1HB LEU 76 0.879 -18.431 -11.412 542 2HB LEU 76 2HB LEU 76 0.263 -19.188 -12.868 543 HG LEU 76 HG LEU 76 -1.308 -17.557 -12.524 544 1HD1 LEU 76 1HD1 LEU 76 -2.147 -20.149 -12.058 545 2HD1 LEU 76 2HD1 LEU 76 -2.901 -19.228 -10.734 546 3HD1 LEU 76 3HD1 LEU 76 -3.187 -18.752 -12.426 547 1HD2 LEU 76 1HD2 LEU 76 -1.968 -17.748 -9.708 548 2HD2 LEU 76 2HD2 LEU 76 -0.235 -17.422 -9.948 549 3HD2 LEU 76 3HD2 LEU 76 -1.453 -16.342 -10.670 550 H GLU 77 H GLU 77 1.897 -21.592 -12.526 551 HA GLU 77 HA GLU 77 3.630 -21.915 -10.216 552 1HB GLU 77 1HB GLU 77 4.093 -23.253 -12.890 553 2HB GLU 77 2HB GLU 77 4.578 -23.794 -11.295 554 1HG GLU 77 1HG GLU 77 1.791 -23.646 -11.074 555 2HG GLU 77 2HG GLU 77 2.018 -24.204 -12.719 556 H MET 78 H MET 78 5.638 -20.924 -10.103 557 HA MET 78 HA MET 78 6.163 -19.024 -12.205 558 1HB MET 78 1HB MET 78 6.391 -19.007 -9.404 559 2HB MET 78 2HB MET 78 8.057 -19.206 -9.912 560 1HG MET 78 1HG MET 78 6.175 -17.001 -10.887 561 2HG MET 78 2HG MET 78 7.432 -16.794 -9.685 562 1HE MET 78 1HE MET 78 9.600 -16.986 -9.845 563 2HE MET 78 2HE MET 78 10.638 -17.323 -11.252 564 3HE MET 78 3HE MET 78 10.036 -15.672 -10.964 565 H VAL 79 H VAL 79 7.977 -19.041 -13.559 566 HA VAL 79 HA VAL 79 10.026 -21.034 -13.058 567 HB VAL 79 HB VAL 79 9.750 -22.235 -15.002 568 1HG1 VAL 79 1HG1 VAL 79 7.503 -23.077 -15.015 569 2HG1 VAL 79 2HG1 VAL 79 7.895 -22.611 -13.343 570 3HG1 VAL 79 3HG1 VAL 79 6.867 -21.557 -14.344 571 1HG2 VAL 79 1HG2 VAL 79 8.354 -21.555 -16.916 572 2HG2 VAL 79 2HG2 VAL 79 7.920 -20.055 -16.063 573 3HG2 VAL 79 3HG2 VAL 79 9.607 -20.346 -16.550 574 HA PRO 80 HA PRO 80 12.329 -17.706 -14.603 575 1HB PRO 80 1HB PRO 80 14.781 -18.900 -14.778 576 2HB PRO 80 2HB PRO 80 14.132 -18.259 -13.282 577 1HG PRO 80 1HG PRO 80 14.376 -21.077 -14.138 578 2HG PRO 80 2HG PRO 80 14.139 -20.437 -12.524 579 1HD PRO 80 1HD PRO 80 12.153 -21.658 -14.196 580 2HD PRO 80 2HD PRO 80 11.892 -20.913 -12.631 581 H VAL 81 H VAL 81 12.597 -16.694 -16.508 582 HA VAL 81 HA VAL 81 13.828 -17.616 -18.680 583 HB VAL 81 HB VAL 81 12.263 -19.596 -18.442 584 1HG1 VAL 81 1HG1 VAL 81 10.185 -17.921 -19.825 585 2HG1 VAL 81 2HG1 VAL 81 10.007 -19.457 -18.943 586 3HG1 VAL 81 3HG1 VAL 81 10.265 -17.941 -18.046 587 1HG2 VAL 81 1HG2 VAL 81 11.656 -18.731 -21.147 588 2HG2 VAL 81 2HG2 VAL 81 13.326 -18.310 -20.695 589 3HG2 VAL 81 3HG2 VAL 81 12.771 -19.997 -20.580 590 H SER 82 H SER 82 12.044 -16.887 -20.812 591 HA SER 82 HA SER 82 11.224 -14.231 -19.943 592 1HB SER 82 1HB SER 82 12.565 -13.173 -21.447 593 2HB SER 82 2HB SER 82 13.484 -14.665 -21.449 594 HG SER 82 HG SER 82 12.794 -13.806 -23.606 595 H ARG 83 H ARG 83 8.996 -14.414 -20.093 596 HA ARG 83 HA ARG 83 7.027 -14.708 -20.928 597 1HB ARG 83 1HB ARG 83 8.625 -14.272 -23.463 598 2HB ARG 83 2HB ARG 83 6.939 -14.728 -23.611 599 1HG ARG 83 1HG ARG 83 6.560 -12.473 -23.442 600 2HG ARG 83 2HG ARG 83 6.716 -12.759 -21.720 601 1HD ARG 83 1HD ARG 83 8.774 -11.724 -21.593 602 2HD ARG 83 2HD ARG 83 9.311 -12.362 -23.134 603 HE ARG 83 HE ARG 83 7.188 -10.345 -23.365 604 1HH1 ARG 83 2HH2 ARG 83 10.659 -10.900 -23.214 605 2HH1 ARG 83 1HH2 ARG 83 11.061 -9.406 -23.991 606 1HH2 ARG 83 2HH1 ARG 83 7.717 -8.373 -24.391 607 2HH2 ARG 83 1HH1 ARG 83 9.377 -7.958 -24.665 608 H SER 84 H SER 84 5.543 -16.387 -21.683 609 HA SER 84 HA SER 84 6.849 -18.935 -21.813 610 1HB SER 84 1HB SER 84 4.239 -17.903 -21.014 611 2HB SER 84 2HB SER 84 4.040 -19.262 -22.103 612 HG SER 84 HG SER 84 5.431 -19.182 -19.578 613 H ARG 85 H ARG 85 7.807 -18.968 -23.924 614 HA ARG 85 HA ARG 85 6.314 -20.031 -25.902 615 1HB ARG 85 1HB ARG 85 5.999 -17.130 -25.811 616 2HB ARG 85 2HB ARG 85 6.791 -17.582 -27.308 617 1HG ARG 85 1HG ARG 85 4.902 -18.551 -28.151 618 2HG ARG 85 2HG ARG 85 4.555 -19.391 -26.653 619 1HD ARG 85 1HD ARG 85 2.842 -17.922 -26.352 620 2HD ARG 85 2HD ARG 85 4.054 -16.705 -26.002 621 HE ARG 85 HE ARG 85 2.562 -17.025 -28.525 622 1HH1 ARG 85 2HH2 ARG 85 5.307 -15.524 -26.913 623 2HH1 ARG 85 1HH2 ARG 85 5.467 -14.259 -28.085 624 1HH2 ARG 85 2HH1 ARG 85 2.773 -15.356 -30.072 625 2HH2 ARG 85 1HH1 ARG 85 4.016 -14.163 -29.894 Start of MODEL 11 1 H SER 10 H SER 10 -11.821 -12.505 -6.742 2 HA SER 10 HA SER 10 -11.476 -15.392 -6.941 3 1HB SER 10 1HB SER 10 -11.094 -13.156 -8.839 4 2HB SER 10 2HB SER 10 -9.720 -14.241 -8.780 5 HG SER 10 HG SER 10 -11.723 -14.686 -10.267 6 H ALA 11 H ALA 11 -9.041 -16.056 -7.078 7 HA ALA 11 HA ALA 11 -7.293 -14.249 -5.628 8 1HB ALA 11 1HB ALA 11 -8.751 -16.362 -4.342 9 2HB ALA 11 2HB ALA 11 -7.031 -16.817 -4.392 10 3HB ALA 11 3HB ALA 11 -7.523 -15.278 -3.647 11 H VAL 12 H VAL 12 -5.098 -14.626 -6.090 12 HA VAL 12 HA VAL 12 -4.634 -16.814 -7.997 13 HB VAL 12 HB VAL 12 -3.187 -14.171 -7.962 14 1HG1 VAL 12 1HG1 VAL 12 -2.748 -14.834 -10.363 15 2HG1 VAL 12 2HG1 VAL 12 -1.975 -15.863 -9.134 16 3HG1 VAL 12 3HG1 VAL 12 -3.441 -16.426 -9.972 17 1HG2 VAL 12 1HG2 VAL 12 -5.909 -14.523 -8.612 18 2HG2 VAL 12 2HG2 VAL 12 -4.880 -13.112 -8.956 19 3HG2 VAL 12 3HG2 VAL 12 -5.045 -14.410 -10.163 20 H SER 13 H SER 13 -2.662 -17.971 -7.793 21 HA SER 13 HA SER 13 -1.100 -17.253 -5.449 22 1HB SER 13 1HB SER 13 -2.595 -19.039 -4.715 23 2HB SER 13 2HB SER 13 -2.208 -20.011 -6.121 24 HG SER 13 HG SER 13 -0.835 -19.749 -3.720 25 H VAL 14 H VAL 14 1.133 -17.467 -5.754 26 HA VAL 14 HA VAL 14 1.940 -18.716 -8.291 27 HB VAL 14 HB VAL 14 3.594 -16.566 -7.091 28 1HG1 VAL 14 1HG1 VAL 14 4.236 -17.741 -9.166 29 2HG1 VAL 14 2HG1 VAL 14 2.738 -17.174 -9.941 30 3HG1 VAL 14 3HG1 VAL 14 3.977 -16.001 -9.437 31 1HG2 VAL 14 1HG2 VAL 14 2.198 -14.811 -8.232 32 2HG2 VAL 14 2HG2 VAL 14 0.914 -16.031 -8.408 33 3HG2 VAL 14 3HG2 VAL 14 1.450 -15.531 -6.786 34 H LEU 15 H LEU 15 3.109 -20.530 -7.970 35 HA LEU 15 HA LEU 15 4.490 -20.776 -5.399 36 1HB LEU 15 1HB LEU 15 4.197 -23.052 -5.514 37 2HB LEU 15 2HB LEU 15 2.695 -22.423 -6.163 38 HG LEU 15 HG LEU 15 4.086 -22.730 -8.467 39 1HD1 LEU 15 1HD1 LEU 15 4.923 -25.211 -7.015 40 2HD1 LEU 15 2HD1 LEU 15 5.581 -24.469 -8.493 41 3HD1 LEU 15 3HD1 LEU 15 5.940 -23.754 -6.903 42 1HD2 LEU 15 1HD2 LEU 15 2.387 -24.090 -8.932 43 2HD2 LEU 15 2HD2 LEU 15 2.884 -25.267 -7.693 44 3HD2 LEU 15 3HD2 LEU 15 1.872 -23.874 -7.242 45 H ALA 16 H ALA 16 6.576 -20.134 -5.482 46 HA ALA 16 HA ALA 16 7.984 -20.244 -7.998 47 1HB ALA 16 1HB ALA 16 9.439 -19.536 -5.515 48 2HB ALA 16 2HB ALA 16 9.310 -18.656 -7.057 49 3HB ALA 16 3HB ALA 16 8.006 -18.535 -5.851 50 HA PRO 17 HA PRO 17 9.715 -24.131 -7.099 51 1HB PRO 17 1HB PRO 17 11.428 -24.305 -9.222 52 2HB PRO 17 2HB PRO 17 9.727 -24.716 -9.326 53 1HG PRO 17 1HG PRO 17 11.119 -22.313 -10.340 54 2HG PRO 17 2HG PRO 17 9.547 -22.942 -10.789 55 1HD PRO 17 1HD PRO 17 10.073 -20.701 -9.079 56 2HD PRO 17 2HD PRO 17 8.507 -21.402 -9.436 57 H ASN 18 H ASN 18 11.255 -21.196 -6.903 58 HA ASN 18 HA ASN 18 13.824 -22.261 -6.349 59 1HB ASN 18 1HB ASN 18 14.069 -19.790 -5.374 60 2HB ASN 18 2HB ASN 18 13.958 -20.036 -7.105 61 1HD2 ASN 18 2HD2 ASN 18 13.069 -17.961 -4.970 62 2HD2 ASN 18 1HD2 ASN 18 11.461 -17.527 -5.445 63 H GLY 19 H GLY 19 11.015 -22.683 -4.753 64 1HA GLY 19 1HA GLY 19 10.786 -23.559 -2.629 65 2HA GLY 19 2HA GLY 19 12.303 -22.830 -2.140 66 H ARG 20 H ARG 20 10.204 -20.718 -3.957 67 HA ARG 20 HA ARG 20 9.470 -19.453 -1.441 68 1HB ARG 20 1HB ARG 20 10.653 -18.423 -3.909 69 2HB ARG 20 2HB ARG 20 9.140 -17.598 -3.593 70 1HG ARG 20 1HG ARG 20 10.145 -17.501 -1.086 71 2HG ARG 20 2HG ARG 20 11.665 -17.636 -1.949 72 1HD ARG 20 1HD ARG 20 10.891 -15.685 -3.427 73 2HD ARG 20 2HD ARG 20 9.528 -15.490 -2.342 74 HE ARG 20 HE ARG 20 12.078 -15.563 -0.920 75 1HH1 ARG 20 2HH2 ARG 20 9.850 -13.488 -2.685 76 2HH1 ARG 20 1HH2 ARG 20 10.403 -12.033 -1.925 77 1HH2 ARG 20 2HH1 ARG 20 12.808 -13.643 0.082 78 2HH2 ARG 20 1HH1 ARG 20 12.097 -12.122 -0.341 79 H ARG 21 H ARG 21 7.311 -19.701 -0.961 80 HA ARG 21 HA ARG 21 5.522 -19.979 -3.238 81 1HB ARG 21 1HB ARG 21 5.843 -21.575 -0.912 82 2HB ARG 21 2HB ARG 21 4.355 -20.691 -0.634 83 1HG ARG 21 1HG ARG 21 3.232 -21.949 -2.156 84 2HG ARG 21 2HG ARG 21 4.433 -21.634 -3.393 85 1HD ARG 21 1HD ARG 21 4.745 -23.923 -3.189 86 2HD ARG 21 2HD ARG 21 5.871 -23.401 -1.952 87 HE ARG 21 HE ARG 21 3.309 -23.636 -0.729 88 1HH1 ARG 21 2HH2 ARG 21 5.751 -25.699 -2.199 89 2HH1 ARG 21 1HH2 ARG 21 5.329 -27.088 -1.255 90 1HH2 ARG 21 2HH1 ARG 21 2.751 -25.468 0.517 91 2HH2 ARG 21 1HH1 ARG 21 3.611 -26.956 0.300 92 H HIS 22 H HIS 22 4.290 -18.172 -3.648 93 HA HIS 22 HA HIS 22 3.295 -16.690 -1.350 94 1HB HIS 22 1HB HIS 22 3.904 -14.554 -2.302 95 2HB HIS 22 2HB HIS 22 5.337 -15.533 -2.058 96 HD1 HIS 22 HD1 HIS 22 6.041 -16.951 -4.416 97 HD2 HIS 22 HD2 HIS 22 3.845 -13.394 -4.767 98 HE1 HIS 22 HE1 HIS 22 6.369 -16.142 -6.813 99 H THR 23 H THR 23 1.198 -15.911 -1.627 100 HA THR 23 HA THR 23 0.015 -16.449 -4.273 101 HB THR 23 HB THR 23 -0.689 -18.118 -2.572 102 HG1 THR 23 HG1 THR 23 -3.043 -17.301 -2.626 103 1HG2 THR 23 1HG2 THR 23 -0.375 -16.413 -0.591 104 2HG2 THR 23 2HG2 THR 23 -1.991 -15.824 -1.049 105 3HG2 THR 23 3HG2 THR 23 -1.773 -17.513 -0.530 106 H VAL 24 H VAL 24 -1.129 -14.858 -5.246 107 HA VAL 24 HA VAL 24 -1.535 -12.433 -3.634 108 HB VAL 24 HB VAL 24 -0.664 -12.741 -6.510 109 1HG1 VAL 24 1HG1 VAL 24 -2.373 -10.936 -6.219 110 2HG1 VAL 24 2HG1 VAL 24 -1.285 -10.156 -5.045 111 3HG1 VAL 24 3HG1 VAL 24 -0.778 -10.344 -6.741 112 1HG2 VAL 24 1HG2 VAL 24 0.673 -11.908 -3.964 113 2HG2 VAL 24 2HG2 VAL 24 1.295 -12.880 -5.319 114 3HG2 VAL 24 3HG2 VAL 24 1.160 -11.113 -5.480 115 H LYS 25 H LYS 25 -3.582 -11.579 -3.631 116 HA LYS 25 HA LYS 25 -5.551 -13.074 -5.182 117 1HB LYS 25 1HB LYS 25 -7.179 -12.029 -3.613 118 2HB LYS 25 2HB LYS 25 -5.990 -13.052 -2.832 119 1HG LYS 25 1HG LYS 25 -5.228 -10.170 -3.095 120 2HG LYS 25 2HG LYS 25 -6.575 -10.496 -2.022 121 1HD LYS 25 1HD LYS 25 -4.102 -12.216 -1.781 122 2HD LYS 25 2HD LYS 25 -4.046 -10.587 -1.140 123 1HE LYS 25 1HE LYS 25 -5.744 -11.008 0.459 124 2HE LYS 25 2HE LYS 25 -6.397 -12.364 -0.438 125 1HZ LYS 25 1HZ LYS 25 -3.701 -12.437 0.703 126 2HZ LYS 25 2HZ LYS 25 -5.015 -12.891 1.561 127 3HZ LYS 25 3HZ LYS 25 -4.613 -13.693 0.196 128 H VAL 26 H VAL 26 -5.909 -12.255 -7.180 129 HA VAL 26 HA VAL 26 -6.100 -9.327 -7.364 130 HB VAL 26 HB VAL 26 -4.967 -9.324 -9.328 131 1HG1 VAL 26 1HG1 VAL 26 -3.066 -10.974 -9.244 132 2HG1 VAL 26 2HG1 VAL 26 -3.356 -10.091 -7.726 133 3HG1 VAL 26 3HG1 VAL 26 -3.903 -11.777 -7.894 134 1HG2 VAL 26 1HG2 VAL 26 -6.036 -10.573 -10.887 135 2HG2 VAL 26 2HG2 VAL 26 -4.716 -11.723 -10.565 136 3HG2 VAL 26 3HG2 VAL 26 -6.297 -11.939 -9.775 137 H THR 27 H THR 27 -7.539 -8.675 -9.327 138 HA THR 27 HA THR 27 -10.046 -10.061 -8.965 139 HB THR 27 HB THR 27 -10.561 -8.063 -10.734 140 HG1 THR 27 HG1 THR 27 -8.402 -6.958 -9.198 141 1HG2 THR 27 1HG2 THR 27 -10.402 -6.441 -8.651 142 2HG2 THR 27 2HG2 THR 27 -11.563 -7.789 -8.593 143 3HG2 THR 27 3HG2 THR 27 -10.001 -7.921 -7.748 144 HA PRO 28 HA PRO 28 -9.953 -12.392 -12.564 145 1HB PRO 28 1HB PRO 28 -12.613 -12.645 -13.138 146 2HB PRO 28 2HB PRO 28 -11.801 -13.603 -11.916 147 1HG PRO 28 1HG PRO 28 -13.643 -11.319 -11.559 148 2HG PRO 28 2HG PRO 28 -13.166 -12.537 -10.393 149 1HD PRO 28 1HD PRO 28 -12.221 -9.833 -10.533 150 2HD PRO 28 2HD PRO 28 -11.660 -11.084 -9.442 151 H SER 29 H SER 29 -11.029 -9.219 -12.592 152 HA SER 29 HA SER 29 -11.137 -9.304 -15.499 153 1HB SER 29 1HB SER 29 -12.323 -7.163 -15.374 154 2HB SER 29 2HB SER 29 -13.123 -8.340 -14.352 155 HG SER 29 HG SER 29 -12.787 -6.175 -13.373 156 H THR 30 H THR 30 -8.924 -8.918 -13.089 157 HA THR 30 HA THR 30 -7.653 -6.515 -14.130 158 HB THR 30 HB THR 30 -7.529 -8.244 -11.688 159 HG1 THR 30 HG1 THR 30 -7.398 -6.060 -10.869 160 1HG2 THR 30 1HG2 THR 30 -5.217 -8.465 -11.878 161 2HG2 THR 30 2HG2 THR 30 -5.092 -7.142 -13.062 162 3HG2 THR 30 3HG2 THR 30 -5.260 -6.773 -11.329 163 H VAL 31 H VAL 31 -5.754 -6.422 -15.282 164 HA VAL 31 HA VAL 31 -5.148 -8.797 -16.759 165 HB VAL 31 HB VAL 31 -3.434 -7.241 -17.793 166 1HG1 VAL 31 1HG1 VAL 31 -5.680 -5.663 -18.411 167 2HG1 VAL 31 2HG1 VAL 31 -5.101 -7.110 -19.272 168 3HG1 VAL 31 3HG1 VAL 31 -6.324 -7.268 -17.989 169 1HG2 VAL 31 1HG2 VAL 31 -4.913 -5.024 -16.379 170 2HG2 VAL 31 2HG2 VAL 31 -3.445 -5.746 -15.678 171 3HG2 VAL 31 3HG2 VAL 31 -3.376 -4.961 -17.274 172 H LEU 32 H LEU 32 -3.515 -10.244 -16.419 173 HA LEU 32 HA LEU 32 -2.226 -10.318 -13.967 174 1HB LEU 32 1HB LEU 32 -1.848 -11.718 -16.592 175 2HB LEU 32 2HB LEU 32 -0.712 -11.979 -15.283 176 HG LEU 32 HG LEU 32 -2.825 -13.538 -15.663 177 1HD1 LEU 32 1HD1 LEU 32 -2.499 -13.055 -12.786 178 2HD1 LEU 32 2HD1 LEU 32 -2.171 -14.510 -13.758 179 3HD1 LEU 32 3HD1 LEU 32 -0.964 -13.204 -13.675 180 1HD2 LEU 32 1HD2 LEU 32 -4.696 -12.954 -14.207 181 2HD2 LEU 32 2HD2 LEU 32 -3.932 -11.391 -13.832 182 3HD2 LEU 32 3HD2 LEU 32 -4.477 -11.740 -15.490 183 H LEU 33 H LEU 33 -1.552 -8.474 -16.850 184 HA LEU 33 HA LEU 33 1.222 -8.207 -16.542 185 1HB LEU 33 1HB LEU 33 1.010 -6.350 -18.056 186 2HB LEU 33 2HB LEU 33 0.043 -7.706 -18.600 187 HG LEU 33 HG LEU 33 -1.810 -6.282 -17.173 188 1HD1 LEU 33 1HD1 LEU 33 -0.110 -4.471 -16.830 189 2HD1 LEU 33 2HD1 LEU 33 -0.133 -4.198 -18.589 190 3HD1 LEU 33 3HD1 LEU 33 -1.612 -3.949 -17.630 191 1HD2 LEU 33 1HD2 LEU 33 -2.068 -7.276 -19.413 192 2HD2 LEU 33 2HD2 LEU 33 -2.720 -5.622 -19.323 193 3HD2 LEU 33 3HD2 LEU 33 -1.151 -5.919 -20.109 194 H GLN 34 H GLN 34 -1.589 -6.348 -15.251 195 HA GLN 34 HA GLN 34 0.018 -4.414 -14.028 196 1HB GLN 34 1HB GLN 34 -2.003 -3.604 -13.058 197 2HB GLN 34 2HB GLN 34 -2.476 -4.270 -14.609 198 1HG GLN 34 1HG GLN 34 -4.011 -5.501 -13.468 199 2HG GLN 34 2HG GLN 34 -2.670 -6.488 -12.923 200 1HE2 GLN 34 2HE2 GLN 34 -4.798 -3.819 -12.166 201 2HE2 GLN 34 1HE2 GLN 34 -4.545 -3.779 -10.452 202 H VAL 35 H VAL 35 -1.324 -7.576 -12.991 203 HA VAL 35 HA VAL 35 -0.582 -7.242 -10.268 204 HB VAL 35 HB VAL 35 -1.541 -9.276 -9.953 205 1HG1 VAL 35 1HG1 VAL 35 -2.717 -8.878 -12.702 206 2HG1 VAL 35 2HG1 VAL 35 -3.516 -9.392 -11.197 207 3HG1 VAL 35 3HG1 VAL 35 -3.008 -7.698 -11.402 208 1HG2 VAL 35 1HG2 VAL 35 -1.445 -11.180 -11.449 209 2HG2 VAL 35 2HG2 VAL 35 -0.725 -10.181 -12.734 210 3HG2 VAL 35 3HG2 VAL 35 0.192 -10.511 -11.245 211 H LEU 36 H LEU 36 0.822 -8.979 -13.121 212 HA LEU 36 HA LEU 36 3.011 -10.022 -11.739 213 1HB LEU 36 1HB LEU 36 2.202 -10.832 -13.895 214 2HB LEU 36 2HB LEU 36 2.678 -9.330 -14.662 215 HG LEU 36 HG LEU 36 4.979 -9.801 -14.448 216 1HD1 LEU 36 1HD1 LEU 36 4.971 -10.536 -12.112 217 2HD1 LEU 36 2HD1 LEU 36 4.281 -12.102 -12.602 218 3HD1 LEU 36 3HD1 LEU 36 5.912 -11.640 -13.143 219 1HD2 LEU 36 1HD2 LEU 36 3.217 -11.879 -15.519 220 2HD2 LEU 36 2HD2 LEU 36 4.646 -11.097 -16.235 221 3HD2 LEU 36 3HD2 LEU 36 4.848 -12.470 -15.120 222 H GLU 37 H GLU 37 2.476 -6.898 -13.448 223 HA GLU 37 HA GLU 37 5.133 -6.071 -13.203 224 1HB GLU 37 1HB GLU 37 2.533 -4.541 -13.620 225 2HB GLU 37 2HB GLU 37 4.101 -3.759 -13.636 226 1HG GLU 37 1HG GLU 37 3.797 -6.203 -15.359 227 2HG GLU 37 2HG GLU 37 2.936 -4.766 -15.875 228 H ASP 38 H ASP 38 2.221 -5.762 -11.128 229 HA ASP 38 HA ASP 38 3.286 -3.878 -9.394 230 1HB ASP 38 1HB ASP 38 1.024 -5.814 -9.425 231 2HB ASP 38 2HB ASP 38 1.582 -5.400 -7.816 232 H THR 39 H THR 39 2.965 -7.506 -9.176 233 HA THR 39 HA THR 39 4.410 -7.738 -6.766 234 HB THR 39 HB THR 39 2.747 -9.388 -7.755 235 HG1 THR 39 HG1 THR 39 4.268 -10.084 -6.137 236 1HG2 THR 39 1HG2 THR 39 4.690 -10.925 -9.241 237 2HG2 THR 39 2HG2 THR 39 3.126 -10.298 -9.814 238 3HG2 THR 39 3HG2 THR 39 4.595 -9.306 -9.975 239 H CYS 40 H CYS 40 5.379 -7.602 -10.191 240 HA CYS 40 HA CYS 40 7.977 -8.575 -9.758 241 1HB CYS 40 1HB CYS 40 6.617 -7.061 -11.971 242 2HB CYS 40 2HB CYS 40 8.363 -7.217 -11.986 243 HG CYS 40 HG CYS 40 6.518 -9.076 -13.275 244 H ARG 41 H ARG 41 6.372 -5.372 -9.577 245 HA ARG 41 HA ARG 41 8.712 -3.881 -9.454 246 1HB ARG 41 1HB ARG 41 7.230 -2.141 -9.399 247 2HB ARG 41 2HB ARG 41 5.969 -3.352 -9.525 248 1HG ARG 41 1HG ARG 41 5.770 -3.477 -7.073 249 2HG ARG 41 2HG ARG 41 7.141 -2.406 -6.868 250 1HD ARG 41 1HD ARG 41 5.540 -0.870 -8.512 251 2HD ARG 41 2HD ARG 41 4.324 -1.755 -7.612 252 HE ARG 41 HE ARG 41 6.183 0.252 -6.541 253 1HH1 ARG 41 2HH2 ARG 41 4.035 -2.423 -5.759 254 2HH1 ARG 41 1HH2 ARG 41 3.817 -1.934 -4.111 255 1HH2 ARG 41 2HH1 ARG 41 5.897 0.897 -4.367 256 2HH2 ARG 41 1HH1 ARG 41 4.884 -0.033 -3.314 257 H ARG 42 H ARG 42 6.501 -5.220 -6.905 258 HA ARG 42 HA ARG 42 8.089 -4.194 -4.818 259 1HB ARG 42 1HB ARG 42 6.621 -5.922 -3.464 260 2HB ARG 42 2HB ARG 42 5.840 -4.533 -4.191 261 1HG ARG 42 1HG ARG 42 5.918 -6.556 -6.215 262 2HG ARG 42 2HG ARG 42 5.413 -7.358 -4.741 263 1HD ARG 42 1HD ARG 42 4.143 -4.733 -5.621 264 2HD ARG 42 2HD ARG 42 3.564 -6.271 -6.229 265 HE ARG 42 HE ARG 42 3.505 -5.407 -3.366 266 1HH1 ARG 42 2HH2 ARG 42 2.509 -7.644 -5.893 267 2HH1 ARG 42 1HH2 ARG 42 1.303 -8.412 -4.916 268 1HH2 ARG 42 2HH1 ARG 42 1.914 -6.420 -2.076 269 2HH2 ARG 42 1HH1 ARG 42 0.962 -7.711 -2.730 270 H GLN 43 H GLN 43 7.796 -7.304 -6.583 271 HA GLN 43 HA GLN 43 9.741 -8.492 -4.807 272 1HB GLN 43 1HB GLN 43 9.013 -10.560 -5.578 273 2HB GLN 43 2HB GLN 43 7.553 -9.615 -5.794 274 1HG GLN 43 1HG GLN 43 8.539 -9.111 -8.200 275 2HG GLN 43 2HG GLN 43 9.549 -10.510 -7.895 276 1HE2 GLN 43 2HE2 GLN 43 7.728 -10.435 -9.949 277 2HE2 GLN 43 1HE2 GLN 43 6.440 -11.560 -9.668 278 H ASP 44 H ASP 44 10.107 -6.271 -7.027 279 HA ASP 44 HA ASP 44 11.395 -5.883 -8.787 280 1HB ASP 44 1HB ASP 44 13.866 -6.340 -8.193 281 2HB ASP 44 2HB ASP 44 12.948 -5.371 -7.058 282 H PHE 45 H PHE 45 10.234 -7.737 -10.049 283 HA PHE 45 HA PHE 45 12.238 -9.757 -10.761 284 1HB PHE 45 1HB PHE 45 9.419 -9.931 -9.796 285 2HB PHE 45 2HB PHE 45 9.657 -10.802 -11.298 286 HD1 PHE 45 HD1 PHE 45 9.429 -13.016 -10.526 287 HD2 PHE 45 HD2 PHE 45 12.174 -10.409 -8.608 288 HE1 PHE 45 HE1 PHE 45 10.381 -14.957 -9.250 289 HE2 PHE 45 HE2 PHE 45 13.125 -12.350 -7.332 290 HZ PHE 45 HZ PHE 45 12.217 -14.600 -7.668 291 H ASN 46 H ASN 46 11.955 -10.632 -12.999 292 HA ASN 46 HA ASN 46 10.632 -8.646 -14.676 293 1HB ASN 46 1HB ASN 46 13.376 -9.167 -14.576 294 2HB ASN 46 2HB ASN 46 12.866 -10.187 -15.906 295 1HD2 ASN 46 2HD2 ASN 46 13.507 -9.151 -17.656 296 2HD2 ASN 46 1HD2 ASN 46 13.104 -7.526 -18.100 297 HA PRO 47 HA PRO 47 8.682 -12.210 -16.341 298 1HB PRO 47 1HB PRO 47 7.652 -11.183 -18.654 299 2HB PRO 47 2HB PRO 47 6.889 -10.976 -17.091 300 1HG PRO 47 1HG PRO 47 8.422 -9.010 -18.679 301 2HG PRO 47 2HG PRO 47 7.312 -8.724 -17.353 302 1HD PRO 47 1HD PRO 47 10.177 -8.637 -17.242 303 2HD PRO 47 2HD PRO 47 9.070 -8.466 -15.894 304 H SER 48 H SER 48 10.895 -10.446 -18.377 305 HA SER 48 HA SER 48 11.132 -12.455 -20.283 306 1HB SER 48 1HB SER 48 11.908 -10.276 -20.864 307 2HB SER 48 2HB SER 48 12.897 -10.143 -19.424 308 HG SER 48 HG SER 48 14.474 -11.383 -20.315 309 H GLU 49 H GLU 49 11.957 -12.455 -16.995 310 HA GLU 49 HA GLU 49 13.961 -14.516 -17.494 311 1HB GLU 49 1HB GLU 49 13.899 -12.353 -15.363 312 2HB GLU 49 2HB GLU 49 14.839 -13.815 -15.143 313 1HG GLU 49 1HG GLU 49 15.218 -12.513 -17.794 314 2HG GLU 49 2HG GLU 49 15.739 -11.537 -16.435 315 H TYR 50 H TYR 50 10.832 -13.896 -16.553 316 HA TYR 50 HA TYR 50 10.745 -16.371 -15.019 317 1HB TYR 50 1HB TYR 50 9.740 -13.568 -14.246 318 2HB TYR 50 2HB TYR 50 9.089 -15.006 -13.484 319 HD1 TYR 50 HD1 TYR 50 10.810 -12.509 -12.426 320 HD2 TYR 50 HD2 TYR 50 11.644 -16.622 -13.259 321 HE1 TYR 50 HE1 TYR 50 12.706 -12.475 -10.732 322 HE2 TYR 50 HE2 TYR 50 13.538 -16.574 -11.563 323 HH TYR 50 HH TYR 50 13.899 -14.058 -9.337 324 H ASP 51 H ASP 51 8.875 -17.568 -15.376 325 HA ASP 51 HA ASP 51 6.852 -16.223 -16.981 326 1HB ASP 51 1HB ASP 51 8.394 -18.733 -17.520 327 2HB ASP 51 2HB ASP 51 6.675 -18.821 -17.851 328 H LEU 52 H LEU 52 4.656 -17.051 -16.597 329 HA LEU 52 HA LEU 52 4.480 -18.875 -14.301 330 1HB LEU 52 1HB LEU 52 2.547 -16.634 -14.843 331 2HB LEU 52 2HB LEU 52 2.699 -17.618 -13.401 332 HG LEU 52 HG LEU 52 5.140 -16.519 -13.366 333 1HD1 LEU 52 1HD1 LEU 52 3.486 -14.310 -14.604 334 2HD1 LEU 52 2HD1 LEU 52 5.208 -14.278 -14.156 335 3HD1 LEU 52 3HD1 LEU 52 4.660 -15.292 -15.512 336 1HD2 LEU 52 1HD2 LEU 52 4.030 -16.202 -11.419 337 2HD2 LEU 52 2HD2 LEU 52 3.860 -14.552 -12.066 338 3HD2 LEU 52 3HD2 LEU 52 2.520 -15.713 -12.223 339 H LYS 53 H LYS 53 3.116 -20.610 -14.518 340 HA LYS 53 HA LYS 53 1.138 -20.561 -16.626 341 1HB LYS 53 1HB LYS 53 2.932 -21.311 -17.961 342 2HB LYS 53 2HB LYS 53 3.572 -22.342 -16.698 343 1HG LYS 53 1HG LYS 53 1.287 -23.612 -16.845 344 2HG LYS 53 2HG LYS 53 1.059 -22.760 -18.359 345 1HD LYS 53 1HD LYS 53 2.124 -24.669 -19.152 346 2HD LYS 53 2HD LYS 53 3.524 -23.649 -18.881 347 1HE LYS 53 1HE LYS 53 3.597 -24.678 -16.486 348 2HE LYS 53 2HE LYS 53 2.466 -25.873 -17.089 349 1HZ LYS 53 1HZ LYS 53 5.086 -25.299 -18.292 350 2HZ LYS 53 2HZ LYS 53 4.756 -26.570 -17.321 351 3HZ LYS 53 3HZ LYS 53 4.041 -26.453 -18.785 352 H PHE 54 H PHE 54 -0.592 -21.971 -16.212 353 HA PHE 54 HA PHE 54 -0.312 -23.549 -13.756 354 1HB PHE 54 1HB PHE 54 -1.906 -22.129 -12.866 355 2HB PHE 54 2HB PHE 54 -1.926 -21.211 -14.359 356 HD1 PHE 54 HD1 PHE 54 -3.415 -24.177 -12.700 357 HD2 PHE 54 HD2 PHE 54 -3.789 -21.288 -15.786 358 HE1 PHE 54 HE1 PHE 54 -5.756 -24.962 -13.151 359 HE2 PHE 54 HE2 PHE 54 -6.130 -22.073 -16.237 360 HZ PHE 54 HZ PHE 54 -7.085 -23.901 -14.915 361 H GLN 55 H GLN 55 -0.544 -25.670 -14.275 362 HA GLN 55 HA GLN 55 -1.333 -27.503 -15.132 363 1HB GLN 55 1HB GLN 55 -3.737 -25.766 -15.823 364 2HB GLN 55 2HB GLN 55 -3.703 -27.493 -16.120 365 1HG GLN 55 1HG GLN 55 -2.983 -26.466 -13.364 366 2HG GLN 55 2HG GLN 55 -4.671 -26.530 -13.831 367 1HE2 GLN 55 2HE2 GLN 55 -5.467 -28.184 -12.745 368 2HE2 GLN 55 1HE2 GLN 55 -4.886 -29.816 -12.777 369 H ARG 56 H ARG 56 -3.314 -26.264 -17.692 370 HA ARG 56 HA ARG 56 -1.110 -26.766 -19.522 371 1HB ARG 56 1HB ARG 56 -4.119 -27.168 -19.766 372 2HB ARG 56 2HB ARG 56 -3.108 -27.103 -21.196 373 1HG ARG 56 1HG ARG 56 -1.940 -29.081 -20.634 374 2HG ARG 56 2HG ARG 56 -2.314 -28.942 -18.927 375 1HD ARG 56 1HD ARG 56 -4.453 -29.462 -21.044 376 2HD ARG 56 2HD ARG 56 -3.609 -30.755 -20.214 377 HE ARG 56 HE ARG 56 -5.642 -28.971 -19.067 378 1HH1 ARG 56 2HH2 ARG 56 -3.011 -31.202 -18.369 379 2HH1 ARG 56 1HH2 ARG 56 -3.561 -31.548 -16.764 380 1HH2 ARG 56 2HH1 ARG 56 -6.367 -29.428 -16.949 381 2HH2 ARG 56 1HH1 ARG 56 -5.483 -30.533 -15.951 382 H THR 57 H THR 57 -2.196 -24.204 -18.044 383 HA THR 57 HA THR 57 -2.474 -22.573 -20.484 384 HB THR 57 HB THR 57 -3.852 -22.445 -17.767 385 HG1 THR 57 HG1 THR 57 -4.693 -23.615 -19.723 386 1HG2 THR 57 1HG2 THR 57 -4.210 -20.192 -17.957 387 2HG2 THR 57 2HG2 THR 57 -2.902 -20.166 -19.164 388 3HG2 THR 57 3HG2 THR 57 -4.593 -20.351 -19.688 389 H VAL 58 H VAL 58 -0.938 -21.095 -20.852 390 HA VAL 58 HA VAL 58 1.115 -20.820 -18.830 391 HB VAL 58 HB VAL 58 2.391 -19.782 -20.574 392 1HG1 VAL 58 1HG1 VAL 58 2.216 -22.253 -20.571 393 2HG1 VAL 58 2HG1 VAL 58 0.866 -22.143 -21.726 394 3HG1 VAL 58 3HG1 VAL 58 2.491 -21.592 -22.201 395 1HG2 VAL 58 1HG2 VAL 58 -0.034 -19.945 -22.389 396 2HG2 VAL 58 2HG2 VAL 58 0.468 -18.466 -21.535 397 3HG2 VAL 58 3HG2 VAL 58 1.547 -19.207 -22.741 398 H LEU 59 H LEU 59 1.635 -18.912 -17.737 399 HA LEU 59 HA LEU 59 -0.319 -16.747 -18.103 400 1HB LEU 59 1HB LEU 59 0.831 -18.004 -15.639 401 2HB LEU 59 2HB LEU 59 0.351 -16.319 -15.611 402 HG LEU 59 HG LEU 59 -1.826 -17.683 -16.764 403 1HD1 LEU 59 1HD1 LEU 59 -1.559 -19.810 -16.088 404 2HD1 LEU 59 2HD1 LEU 59 -0.382 -19.377 -14.825 405 3HD1 LEU 59 3HD1 LEU 59 -2.125 -19.185 -14.521 406 1HD2 LEU 59 1HD2 LEU 59 -1.215 -16.175 -14.292 407 2HD2 LEU 59 2HD2 LEU 59 -2.518 -15.962 -15.485 408 3HD2 LEU 59 3HD2 LEU 59 -2.655 -17.220 -14.233 409 H ASP 60 H ASP 60 0.513 -14.850 -18.790 410 HA ASP 60 HA ASP 60 3.283 -14.326 -18.105 411 1HB ASP 60 1HB ASP 60 2.744 -15.212 -20.581 412 2HB ASP 60 2HB ASP 60 2.250 -13.550 -20.837 413 H LEU 61 H LEU 61 3.056 -11.921 -20.050 414 HA LEU 61 HA LEU 61 1.606 -10.215 -18.202 415 1HB LEU 61 1HB LEU 61 3.470 -9.615 -20.502 416 2HB LEU 61 2HB LEU 61 2.688 -8.396 -19.515 417 HG LEU 61 HG LEU 61 4.564 -10.506 -18.417 418 1HD1 LEU 61 1HD1 LEU 61 5.734 -7.926 -18.293 419 2HD1 LEU 61 2HD1 LEU 61 6.281 -9.351 -19.208 420 3HD1 LEU 61 3HD1 LEU 61 5.177 -8.177 -19.965 421 1HD2 LEU 61 1HD2 LEU 61 3.303 -8.036 -17.207 422 2HD2 LEU 61 2HD2 LEU 61 3.121 -9.731 -16.694 423 3HD2 LEU 61 3HD2 LEU 61 4.680 -8.899 -16.481 424 H SER 62 H SER 62 1.565 -11.339 -21.611 425 HA SER 62 HA SER 62 -0.709 -9.670 -22.138 426 1HB SER 62 1HB SER 62 -0.566 -10.651 -24.430 427 2HB SER 62 2HB SER 62 0.949 -9.940 -23.910 428 HG SER 62 HG SER 62 0.509 -12.719 -23.397 429 H LEU 63 H LEU 63 -1.165 -11.500 -20.009 430 HA LEU 63 HA LEU 63 -3.145 -13.248 -21.277 431 1HB LEU 63 1HB LEU 63 -1.056 -13.967 -19.246 432 2HB LEU 63 2HB LEU 63 -2.582 -14.827 -19.297 433 HG LEU 63 HG LEU 63 -1.207 -16.172 -20.574 434 1HD1 LEU 63 1HD1 LEU 63 -3.325 -15.191 -21.793 435 2HD1 LEU 63 2HD1 LEU 63 -2.103 -14.492 -22.883 436 3HD1 LEU 63 3HD1 LEU 63 -2.182 -16.255 -22.647 437 1HD2 LEU 63 1HD2 LEU 63 0.181 -13.649 -21.225 438 2HD2 LEU 63 2HD2 LEU 63 0.826 -15.280 -20.923 439 3HD2 LEU 63 3HD2 LEU 63 0.163 -14.868 -22.523 440 H GLN 64 H GLN 64 -5.033 -12.248 -20.770 441 HA GLN 64 HA GLN 64 -5.218 -10.985 -18.185 442 1HB GLN 64 1HB GLN 64 -7.146 -11.045 -20.547 443 2HB GLN 64 2HB GLN 64 -7.417 -10.138 -19.073 444 1HG GLN 64 1HG GLN 64 -6.392 -8.458 -20.275 445 2HG GLN 64 2HG GLN 64 -4.938 -9.208 -19.647 446 1HE2 GLN 64 2HE2 GLN 64 -7.206 -9.222 -22.363 447 2HE2 GLN 64 1HE2 GLN 64 -6.084 -9.683 -23.599 448 H TRP 65 H TRP 65 -6.696 -11.606 -16.544 449 HA TRP 65 HA TRP 65 -7.231 -14.336 -16.354 450 1HB TRP 65 1HB TRP 65 -6.938 -13.041 -14.387 451 2HB TRP 65 2HB TRP 65 -8.227 -11.937 -14.824 452 HD1 TRP 65 HD1 TRP 65 -10.670 -13.793 -15.326 453 HE1 TRP 65 HE1 TRP 65 -11.787 -15.322 -13.488 454 HE3 TRP 65 HE3 TRP 65 -6.604 -14.002 -12.280 455 HZ2 TRP 65 HZ2 TRP 65 -10.865 -16.422 -11.021 456 HZ3 TRP 65 HZ3 TRP 65 -6.796 -15.325 -10.176 457 HH2 TRP 65 HH2 TRP 65 -8.834 -16.510 -9.529 458 H ARG 66 H ARG 66 -9.192 -11.489 -17.379 459 HA ARG 66 HA ARG 66 -11.592 -12.862 -17.533 460 1HB ARG 66 1HB ARG 66 -12.368 -10.934 -18.864 461 2HB ARG 66 2HB ARG 66 -11.372 -10.367 -17.539 462 1HG ARG 66 1HG ARG 66 -9.392 -10.289 -19.112 463 2HG ARG 66 2HG ARG 66 -10.453 -10.754 -20.427 464 1HD ARG 66 1HD ARG 66 -11.041 -8.313 -18.700 465 2HD ARG 66 2HD ARG 66 -9.987 -8.212 -20.096 466 HE ARG 66 HE ARG 66 -12.292 -9.509 -21.027 467 1HH1 ARG 66 2HH2 ARG 66 -11.560 -6.415 -19.521 468 2HH1 ARG 66 1HH2 ARG 66 -12.876 -5.587 -20.285 469 1HH2 ARG 66 2HH1 ARG 66 -14.028 -8.418 -22.036 470 2HH2 ARG 66 1HH1 ARG 66 -14.289 -6.734 -21.726 471 H PHE 67 H PHE 67 -8.738 -13.292 -19.303 472 HA PHE 67 HA PHE 67 -10.225 -14.250 -21.646 473 1HB PHE 67 1HB PHE 67 -7.452 -13.078 -21.125 474 2HB PHE 67 2HB PHE 67 -7.686 -14.101 -22.528 475 HD1 PHE 67 HD1 PHE 67 -10.661 -12.331 -21.781 476 HD2 PHE 67 HD2 PHE 67 -6.864 -11.897 -23.625 477 HE1 PHE 67 HE1 PHE 67 -11.515 -10.358 -23.076 478 HE2 PHE 67 HE2 PHE 67 -7.718 -9.924 -24.920 479 HZ PHE 67 HZ PHE 67 -10.034 -9.178 -24.631 480 H ALA 68 H ALA 68 -7.174 -14.879 -19.757 481 HA ALA 68 HA ALA 68 -7.031 -17.561 -20.658 482 1HB ALA 68 1HB ALA 68 -4.978 -17.445 -19.718 483 2HB ALA 68 2HB ALA 68 -5.339 -15.722 -19.455 484 3HB ALA 68 3HB ALA 68 -5.631 -16.901 -18.154 485 H ASN 69 H ASN 69 -9.120 -15.979 -18.494 486 HA ASN 69 HA ASN 69 -10.347 -16.604 -16.794 487 1HB ASN 69 1HB ASN 69 -11.499 -18.888 -17.155 488 2HB ASN 69 2HB ASN 69 -11.622 -17.755 -18.486 489 1HD2 ASN 69 2HD2 ASN 69 -10.465 -18.067 -20.368 490 2HD2 ASN 69 1HD2 ASN 69 -9.716 -19.570 -20.789 491 H LEU 70 H LEU 70 -8.793 -16.682 -15.035 492 HA LEU 70 HA LEU 70 -7.340 -19.147 -14.619 493 1HB LEU 70 1HB LEU 70 -7.349 -16.421 -13.370 494 2HB LEU 70 2HB LEU 70 -6.609 -17.771 -12.533 495 HG LEU 70 HG LEU 70 -4.819 -17.840 -13.911 496 1HD1 LEU 70 1HD1 LEU 70 -5.977 -18.621 -15.863 497 2HD1 LEU 70 2HD1 LEU 70 -6.619 -16.995 -16.195 498 3HD1 LEU 70 3HD1 LEU 70 -4.873 -17.310 -16.344 499 1HD2 LEU 70 1HD2 LEU 70 -3.983 -15.754 -14.071 500 2HD2 LEU 70 2HD2 LEU 70 -5.364 -15.152 -15.020 501 3HD2 LEU 70 3HD2 LEU 70 -5.498 -15.305 -13.251 502 HA PRO 71 HA PRO 71 -10.079 -20.796 -11.722 503 1HB PRO 71 1HB PRO 71 -8.434 -22.122 -9.990 504 2HB PRO 71 2HB PRO 71 -8.883 -22.756 -11.561 505 1HG PRO 71 1HG PRO 71 -6.316 -21.563 -10.708 506 2HG PRO 71 2HG PRO 71 -6.649 -22.570 -12.104 507 1HD PRO 71 1HD PRO 71 -6.267 -19.727 -12.090 508 2HD PRO 71 2HD PRO 71 -6.714 -20.718 -13.465 509 H ASN 72 H ASN 72 -10.703 -21.063 -9.331 510 HA ASN 72 HA ASN 72 -11.187 -18.676 -8.311 511 1HB ASN 72 1HB ASN 72 -10.844 -20.013 -5.961 512 2HB ASN 72 2HB ASN 72 -12.202 -20.321 -7.025 513 1HD2 ASN 72 2HD2 ASN 72 -10.068 -21.814 -5.191 514 2HD2 ASN 72 1HD2 ASN 72 -9.796 -23.296 -6.044 515 H ASN 73 H ASN 73 -8.811 -20.663 -6.452 516 HA ASN 73 HA ASN 73 -7.484 -18.451 -5.475 517 1HB ASN 73 1HB ASN 73 -7.440 -21.239 -5.060 518 2HB ASN 73 2HB ASN 73 -5.822 -20.898 -5.640 519 1HD2 ASN 73 2HD2 ASN 73 -5.502 -21.708 -3.356 520 2HD2 ASN 73 1HD2 ASN 73 -5.398 -20.524 -2.095 521 H ALA 74 H ALA 74 -7.581 -19.578 -8.622 522 HA ALA 74 HA ALA 74 -6.069 -19.758 -10.314 523 1HB ALA 74 1HB ALA 74 -6.038 -16.921 -9.250 524 2HB ALA 74 2HB ALA 74 -5.196 -17.363 -10.755 525 3HB ALA 74 3HB ALA 74 -6.957 -17.587 -10.621 526 H LYS 75 H LYS 75 -4.623 -21.327 -9.183 527 HA LYS 75 HA LYS 75 -2.220 -20.117 -8.076 528 1HB LYS 75 1HB LYS 75 -1.689 -22.326 -7.281 529 2HB LYS 75 2HB LYS 75 -3.347 -21.952 -6.858 530 1HG LYS 75 1HG LYS 75 -4.003 -23.848 -7.910 531 2HG LYS 75 2HG LYS 75 -3.500 -23.142 -9.433 532 1HD LYS 75 1HD LYS 75 -1.065 -23.949 -8.392 533 2HD LYS 75 2HD LYS 75 -2.132 -25.182 -7.749 534 1HE LYS 75 1HE LYS 75 -2.736 -25.978 -9.880 535 2HE LYS 75 2HE LYS 75 -2.410 -24.446 -10.665 536 1HZ LYS 75 1HZ LYS 75 -0.378 -25.133 -11.086 537 2HZ LYS 75 2HZ LYS 75 -0.059 -25.417 -9.510 538 3HZ LYS 75 3HZ LYS 75 -0.714 -26.593 -10.435 539 H LEU 76 H LEU 76 -0.548 -19.627 -9.380 540 HA LEU 76 HA LEU 76 -0.297 -21.214 -11.840 541 1HB LEU 76 1HB LEU 76 0.871 -18.480 -11.556 542 2HB LEU 76 2HB LEU 76 0.389 -19.348 -13.000 543 HG LEU 76 HG LEU 76 -1.309 -17.859 -12.954 544 1HD1 LEU 76 1HD1 LEU 76 -2.797 -19.288 -10.851 545 2HD1 LEU 76 2HD1 LEU 76 -3.194 -19.011 -12.564 546 3HD1 LEU 76 3HD1 LEU 76 -2.090 -20.331 -12.108 547 1HD2 LEU 76 1HD2 LEU 76 -0.227 -17.101 -10.556 548 2HD2 LEU 76 2HD2 LEU 76 -1.649 -16.358 -11.328 549 3HD2 LEU 76 3HD2 LEU 76 -1.866 -17.608 -10.079 550 H GLU 77 H GLU 77 1.905 -21.702 -12.557 551 HA GLU 77 HA GLU 77 3.628 -21.978 -10.235 552 1HB GLU 77 1HB GLU 77 4.285 -23.997 -11.077 553 2HB GLU 77 2HB GLU 77 2.804 -23.881 -12.006 554 1HG GLU 77 1HG GLU 77 4.044 -22.859 -13.903 555 2HG GLU 77 2HG GLU 77 5.529 -22.893 -12.973 556 H MET 78 H MET 78 5.565 -20.888 -10.096 557 HA MET 78 HA MET 78 6.128 -19.060 -12.229 558 1HB MET 78 1HB MET 78 6.390 -19.042 -9.434 559 2HB MET 78 2HB MET 78 8.047 -19.270 -9.956 560 1HG MET 78 1HG MET 78 6.190 -17.030 -10.897 561 2HG MET 78 2HG MET 78 7.487 -16.851 -9.732 562 1HE MET 78 1HE MET 78 10.045 -15.739 -11.105 563 2HE MET 78 2HE MET 78 9.637 -17.035 -9.956 564 3HE MET 78 3HE MET 78 10.635 -17.395 -11.384 565 H VAL 79 H VAL 79 7.897 -19.115 -13.631 566 HA VAL 79 HA VAL 79 9.946 -21.117 -13.153 567 HB VAL 79 HB VAL 79 9.662 -22.256 -15.170 568 1HG1 VAL 79 1HG1 VAL 79 7.937 -22.689 -13.315 569 2HG1 VAL 79 2HG1 VAL 79 6.780 -21.833 -14.362 570 3HG1 VAL 79 3HG1 VAL 79 7.572 -23.318 -14.941 571 1HG2 VAL 79 1HG2 VAL 79 8.008 -21.609 -16.908 572 2HG2 VAL 79 2HG2 VAL 79 7.645 -20.134 -15.979 573 3HG2 VAL 79 3HG2 VAL 79 9.271 -20.380 -16.661 574 HA PRO 80 HA PRO 80 12.267 -17.840 -14.770 575 1HB PRO 80 1HB PRO 80 14.678 -19.088 -15.085 576 2HB PRO 80 2HB PRO 80 14.116 -18.462 -13.547 577 1HG PRO 80 1HG PRO 80 14.250 -21.268 -14.469 578 2HG PRO 80 2HG PRO 80 14.104 -20.656 -12.833 579 1HD PRO 80 1HD PRO 80 12.013 -21.794 -14.432 580 2HD PRO 80 2HD PRO 80 11.844 -21.076 -12.842 581 H VAL 81 H VAL 81 12.471 -16.796 -16.666 582 HA VAL 81 HA VAL 81 13.579 -17.673 -18.910 583 HB VAL 81 HB VAL 81 12.037 -19.665 -18.641 584 1HG1 VAL 81 1HG1 VAL 81 10.064 -17.843 -18.246 585 2HG1 VAL 81 2HG1 VAL 81 9.848 -18.180 -19.980 586 3HG1 VAL 81 3HG1 VAL 81 9.783 -19.511 -18.800 587 1HG2 VAL 81 1HG2 VAL 81 12.945 -18.288 -20.931 588 2HG2 VAL 81 2HG2 VAL 81 12.493 -20.004 -20.797 589 3HG2 VAL 81 3HG2 VAL 81 11.279 -18.800 -21.291 590 H SER 82 H SER 82 11.591 -16.944 -20.913 591 HA SER 82 HA SER 82 10.970 -14.250 -19.987 592 1HB SER 82 1HB SER 82 12.963 -14.283 -21.503 593 2HB SER 82 2HB SER 82 11.994 -15.044 -22.749 594 HG SER 82 HG SER 82 12.203 -12.388 -22.121 595 H ARG 83 H ARG 83 9.559 -13.291 -22.184 596 HA ARG 83 HA ARG 83 7.102 -14.376 -21.827 597 1HB ARG 83 1HB ARG 83 8.341 -12.679 -24.011 598 2HB ARG 83 2HB ARG 83 6.699 -13.251 -24.225 599 1HG ARG 83 1HG ARG 83 5.919 -11.646 -22.828 600 2HG ARG 83 2HG ARG 83 6.931 -12.246 -21.529 601 1HD ARG 83 1HD ARG 83 7.745 -10.055 -21.770 602 2HD ARG 83 2HD ARG 83 8.874 -10.947 -22.769 603 HE ARG 83 HE ARG 83 8.030 -9.846 -24.647 604 1HH1 ARG 83 2HH2 ARG 83 5.665 -9.634 -22.050 605 2HH1 ARG 83 1HH2 ARG 83 4.608 -8.577 -22.926 606 1HH2 ARG 83 2HH1 ARG 83 6.636 -8.451 -25.803 607 2HH2 ARG 83 1HH1 ARG 83 5.165 -7.900 -25.075 608 H SER 84 H SER 84 9.401 -14.886 -24.601 609 HA SER 84 HA SER 84 8.229 -17.500 -24.942 610 1HB SER 84 1HB SER 84 8.134 -15.276 -26.968 611 2HB SER 84 2HB SER 84 8.424 -16.899 -27.560 612 HG SER 84 HG SER 84 6.198 -16.658 -27.560 613 H ARG 85 H ARG 85 9.777 -19.039 -25.574 614 HA ARG 85 HA ARG 85 11.726 -19.896 -25.932 615 1HB ARG 85 1HB ARG 85 11.518 -17.756 -27.876 616 2HB ARG 85 2HB ARG 85 13.191 -17.863 -27.364 617 1HG ARG 85 1HG ARG 85 11.785 -20.454 -27.963 618 2HG ARG 85 2HG ARG 85 12.161 -19.424 -29.330 619 1HD ARG 85 1HD ARG 85 14.409 -19.710 -27.405 620 2HD ARG 85 2HD ARG 85 13.926 -21.221 -28.150 621 HE ARG 85 HE ARG 85 14.034 -19.552 -30.320 622 1HH1 ARG 85 2HH2 ARG 85 16.304 -20.151 -27.699 623 2HH1 ARG 85 1HH2 ARG 85 17.702 -19.797 -28.658 624 1HH2 ARG 85 2HH1 ARG 85 15.878 -19.085 -31.586 625 2HH2 ARG 85 1HH1 ARG 85 17.458 -19.187 -30.884 Start of MODEL 12 1 H SER 10 H SER 10 -11.937 -12.793 -6.751 2 HA SER 10 HA SER 10 -11.186 -15.592 -7.085 3 1HB SER 10 1HB SER 10 -11.276 -13.268 -8.985 4 2HB SER 10 2HB SER 10 -9.968 -14.415 -9.197 5 HG SER 10 HG SER 10 -12.808 -14.904 -9.315 6 H ALA 11 H ALA 11 -8.868 -16.083 -7.104 7 HA ALA 11 HA ALA 11 -7.094 -13.917 -6.334 8 1HB ALA 11 1HB ALA 11 -8.295 -15.238 -4.316 9 2HB ALA 11 2HB ALA 11 -6.961 -16.372 -4.634 10 3HB ALA 11 3HB ALA 11 -6.609 -14.677 -4.223 11 H VAL 12 H VAL 12 -4.874 -14.397 -6.782 12 HA VAL 12 HA VAL 12 -4.534 -16.875 -8.327 13 HB VAL 12 HB VAL 12 -4.370 -14.221 -9.188 14 1HG1 VAL 12 1HG1 VAL 12 -2.226 -13.852 -8.198 15 2HG1 VAL 12 2HG1 VAL 12 -1.611 -15.415 -8.787 16 3HG1 VAL 12 3HG1 VAL 12 -1.959 -14.105 -9.940 17 1HG2 VAL 12 1HG2 VAL 12 -3.293 -15.391 -11.247 18 2HG2 VAL 12 2HG2 VAL 12 -3.552 -16.891 -10.323 19 3HG2 VAL 12 3HG2 VAL 12 -4.937 -15.857 -10.749 20 H SER 13 H SER 13 -2.873 -18.207 -7.723 21 HA SER 13 HA SER 13 -1.076 -17.096 -5.710 22 1HB SER 13 1HB SER 13 -2.752 -18.825 -4.879 23 2HB SER 13 2HB SER 13 -1.981 -19.999 -5.926 24 HG SER 13 HG SER 13 0.065 -19.494 -4.767 25 H VAL 14 H VAL 14 1.120 -17.287 -6.135 26 HA VAL 14 HA VAL 14 1.840 -19.004 -8.410 27 HB VAL 14 HB VAL 14 3.619 -16.756 -7.855 28 1HG1 VAL 14 1HG1 VAL 14 2.596 -18.317 -10.100 29 2HG1 VAL 14 2HG1 VAL 14 2.656 -16.575 -10.462 30 3HG1 VAL 14 3HG1 VAL 14 4.127 -17.425 -9.930 31 1HG2 VAL 14 1HG2 VAL 14 2.075 -15.058 -8.895 32 2HG2 VAL 14 2HG2 VAL 14 0.737 -16.198 -8.617 33 3HG2 VAL 14 3HG2 VAL 14 1.649 -15.542 -7.236 34 H LEU 15 H LEU 15 3.057 -20.706 -7.791 35 HA LEU 15 HA LEU 15 4.607 -20.390 -5.322 36 1HB LEU 15 1HB LEU 15 4.310 -22.628 -4.888 37 2HB LEU 15 2HB LEU 15 2.759 -22.136 -5.537 38 HG LEU 15 HG LEU 15 3.312 -24.280 -6.436 39 1HD1 LEU 15 1HD1 LEU 15 3.252 -23.852 -8.842 40 2HD1 LEU 15 2HD1 LEU 15 2.183 -22.736 -7.960 41 3HD1 LEU 15 3HD1 LEU 15 3.759 -22.168 -8.564 42 1HD2 LEU 15 1HD2 LEU 15 5.612 -23.744 -8.061 43 2HD2 LEU 15 2HD2 LEU 15 5.979 -23.333 -6.368 44 3HD2 LEU 15 3HD2 LEU 15 5.392 -24.962 -6.782 45 H ALA 16 H ALA 16 6.783 -20.260 -5.460 46 HA ALA 16 HA ALA 16 7.973 -20.626 -8.073 47 1HB ALA 16 1HB ALA 16 9.570 -19.906 -5.645 48 2HB ALA 16 2HB ALA 16 9.635 -19.239 -7.294 49 3HB ALA 16 3HB ALA 16 8.332 -18.747 -6.186 50 HA PRO 17 HA PRO 17 9.412 -24.599 -7.080 51 1HB PRO 17 1HB PRO 17 11.103 -24.983 -9.192 52 2HB PRO 17 2HB PRO 17 9.372 -25.236 -9.292 53 1HG PRO 17 1HG PRO 17 10.982 -22.998 -10.359 54 2HG PRO 17 2HG PRO 17 9.358 -23.489 -10.798 55 1HD PRO 17 1HD PRO 17 10.090 -21.266 -9.140 56 2HD PRO 17 2HD PRO 17 8.466 -21.826 -9.485 57 H ASN 18 H ASN 18 11.213 -21.817 -6.939 58 HA ASN 18 HA ASN 18 13.676 -23.096 -6.363 59 1HB ASN 18 1HB ASN 18 14.430 -20.799 -5.757 60 2HB ASN 18 2HB ASN 18 13.574 -20.781 -7.286 61 1HD2 ASN 18 2HD2 ASN 18 13.216 -18.551 -6.937 62 2HD2 ASN 18 1HD2 ASN 18 11.942 -17.981 -5.910 63 H GLY 19 H GLY 19 10.790 -23.091 -4.754 64 1HA GLY 19 1HA GLY 19 10.520 -23.976 -2.613 65 2HA GLY 19 2HA GLY 19 12.080 -23.339 -2.133 66 H ARG 20 H ARG 20 10.155 -21.132 -4.024 67 HA ARG 20 HA ARG 20 9.438 -19.783 -1.545 68 1HB ARG 20 1HB ARG 20 10.231 -18.660 -4.273 69 2HB ARG 20 2HB ARG 20 9.497 -17.665 -3.032 70 1HG ARG 20 1HG ARG 20 11.486 -18.865 -1.566 71 2HG ARG 20 2HG ARG 20 12.244 -18.841 -3.145 72 1HD ARG 20 1HD ARG 20 11.758 -16.374 -3.320 73 2HD ARG 20 2HD ARG 20 11.055 -16.413 -1.715 74 HE ARG 20 HE ARG 20 13.901 -16.479 -2.371 75 1HH1 ARG 20 2HH2 ARG 20 11.504 -17.352 0.053 76 2HH1 ARG 20 1HH2 ARG 20 12.641 -17.359 1.360 77 1HH2 ARG 20 2HH1 ARG 20 15.402 -16.489 -0.647 78 2HH2 ARG 20 1HH1 ARG 20 14.873 -16.865 0.959 79 H ARG 21 H ARG 21 7.242 -19.842 -1.186 80 HA ARG 21 HA ARG 21 5.565 -19.971 -3.558 81 1HB ARG 21 1HB ARG 21 4.965 -20.831 -0.682 82 2HB ARG 21 2HB ARG 21 3.828 -20.951 -2.011 83 1HG ARG 21 1HG ARG 21 5.456 -22.441 -3.232 84 2HG ARG 21 2HG ARG 21 6.536 -22.360 -1.854 85 1HD ARG 21 1HD ARG 21 5.402 -24.299 -1.279 86 2HD ARG 21 2HD ARG 21 4.321 -23.143 -0.526 87 HE ARG 21 HE ARG 21 3.671 -23.684 -3.335 88 1HH1 ARG 21 2HH2 ARG 21 3.179 -24.713 -0.006 89 2HH1 ARG 21 1HH2 ARG 21 1.685 -25.523 -0.342 90 1HH2 ARG 21 2HH1 ARG 21 1.700 -24.751 -3.779 91 2HH2 ARG 21 1HH1 ARG 21 0.838 -25.544 -2.503 92 H HIS 22 H HIS 22 4.214 -18.232 -3.972 93 HA HIS 22 HA HIS 22 3.491 -16.532 -1.724 94 1HB HIS 22 1HB HIS 22 4.059 -14.504 -2.946 95 2HB HIS 22 2HB HIS 22 5.478 -15.495 -2.667 96 HD1 HIS 22 HD1 HIS 22 5.616 -17.381 -4.974 97 HD2 HIS 22 HD2 HIS 22 4.301 -13.423 -5.429 98 HE1 HIS 22 HE1 HIS 22 5.944 -16.796 -7.436 99 H THR 23 H THR 23 1.394 -15.741 -1.853 100 HA THR 23 HA THR 23 -0.039 -16.392 -4.345 101 HB THR 23 HB THR 23 -0.638 -17.944 -2.511 102 HG1 THR 23 HG1 THR 23 -2.864 -17.445 -2.758 103 1HG2 THR 23 1HG2 THR 23 -1.466 -17.215 -0.395 104 2HG2 THR 23 2HG2 THR 23 -0.051 -16.167 -0.656 105 3HG2 THR 23 3HG2 THR 23 -1.690 -15.543 -0.963 106 H VAL 24 H VAL 24 -0.963 -14.744 -5.392 107 HA VAL 24 HA VAL 24 -1.383 -12.289 -3.829 108 HB VAL 24 HB VAL 24 -0.532 -12.561 -6.720 109 1HG1 VAL 24 1HG1 VAL 24 -1.983 -10.585 -6.181 110 2HG1 VAL 24 2HG1 VAL 24 -0.740 -10.054 -5.023 111 3HG1 VAL 24 3HG1 VAL 24 -0.352 -10.164 -6.757 112 1HG2 VAL 24 1HG2 VAL 24 1.472 -12.980 -5.742 113 2HG2 VAL 24 2HG2 VAL 24 1.489 -11.214 -5.527 114 3HG2 VAL 24 3HG2 VAL 24 0.987 -12.269 -4.184 115 H LYS 25 H LYS 25 -3.472 -11.648 -3.718 116 HA LYS 25 HA LYS 25 -5.395 -13.065 -5.334 117 1HB LYS 25 1HB LYS 25 -7.040 -11.860 -3.908 118 2HB LYS 25 2HB LYS 25 -5.896 -12.833 -3.005 119 1HG LYS 25 1HG LYS 25 -4.867 -11.000 -2.049 120 2HG LYS 25 2HG LYS 25 -5.040 -10.013 -3.487 121 1HD LYS 25 1HD LYS 25 -7.542 -10.755 -1.969 122 2HD LYS 25 2HD LYS 25 -6.489 -9.539 -1.274 123 1HE LYS 25 1HE LYS 25 -7.180 -7.968 -2.767 124 2HE LYS 25 2HE LYS 25 -6.855 -9.025 -4.127 125 1HZ LYS 25 1HZ LYS 25 -9.295 -8.929 -2.506 126 2HZ LYS 25 2HZ LYS 25 -9.141 -8.617 -4.101 127 3HZ LYS 25 3HZ LYS 25 -8.985 -10.146 -3.550 128 H VAL 26 H VAL 26 -5.905 -12.400 -7.344 129 HA VAL 26 HA VAL 26 -5.817 -9.501 -7.826 130 HB VAL 26 HB VAL 26 -5.052 -9.900 -10.014 131 1HG1 VAL 26 1HG1 VAL 26 -3.240 -9.987 -8.460 132 2HG1 VAL 26 2HG1 VAL 26 -3.596 -11.679 -8.037 133 3HG1 VAL 26 3HG1 VAL 26 -2.964 -11.280 -9.652 134 1HG2 VAL 26 1HG2 VAL 26 -5.872 -12.749 -9.506 135 2HG2 VAL 26 2HG2 VAL 26 -6.243 -11.688 -10.886 136 3HG2 VAL 26 3HG2 VAL 26 -4.616 -12.389 -10.714 137 H THR 27 H THR 27 -7.309 -8.899 -9.766 138 HA THR 27 HA THR 27 -9.896 -10.102 -9.181 139 HB THR 27 HB THR 27 -10.151 -7.965 -11.023 140 HG1 THR 27 HG1 THR 27 -8.222 -7.422 -8.891 141 1HG2 THR 27 1HG2 THR 27 -10.442 -8.338 -8.052 142 2HG2 THR 27 2HG2 THR 27 -10.322 -6.661 -8.636 143 3HG2 THR 27 3HG2 THR 27 -11.623 -7.720 -9.233 144 HA PRO 28 HA PRO 28 -10.144 -12.317 -12.845 145 1HB PRO 28 1HB PRO 28 -12.844 -12.419 -13.257 146 2HB PRO 28 2HB PRO 28 -12.009 -13.456 -12.117 147 1HG PRO 28 1HG PRO 28 -13.705 -11.095 -11.578 148 2HG PRO 28 2HG PRO 28 -13.221 -12.373 -10.480 149 1HD PRO 28 1HD PRO 28 -12.147 -9.716 -10.601 150 2HD PRO 28 2HD PRO 28 -11.585 -11.028 -9.585 151 H SER 29 H SER 29 -11.056 -9.096 -12.712 152 HA SER 29 HA SER 29 -11.326 -9.083 -15.612 153 1HB SER 29 1HB SER 29 -12.529 -7.019 -15.410 154 2HB SER 29 2HB SER 29 -13.182 -8.084 -14.181 155 HG SER 29 HG SER 29 -11.190 -6.022 -13.754 156 H THR 30 H THR 30 -9.079 -8.667 -13.141 157 HA THR 30 HA THR 30 -7.724 -6.389 -14.343 158 HB THR 30 HB THR 30 -7.403 -8.090 -11.834 159 HG1 THR 30 HG1 THR 30 -7.629 -5.777 -11.059 160 1HG2 THR 30 1HG2 THR 30 -5.107 -7.450 -12.853 161 2HG2 THR 30 2HG2 THR 30 -5.609 -5.755 -12.649 162 3HG2 THR 30 3HG2 THR 30 -5.441 -6.811 -11.226 163 H VAL 31 H VAL 31 -5.806 -6.437 -15.465 164 HA VAL 31 HA VAL 31 -5.245 -8.936 -16.743 165 HB VAL 31 HB VAL 31 -3.710 -6.348 -16.949 166 1HG1 VAL 31 1HG1 VAL 31 -3.966 -7.568 -19.455 167 2HG1 VAL 31 2HG1 VAL 31 -2.521 -7.545 -18.415 168 3HG1 VAL 31 3HG1 VAL 31 -3.660 -8.910 -18.326 169 1HG2 VAL 31 1HG2 VAL 31 -5.519 -5.320 -17.750 170 2HG2 VAL 31 2HG2 VAL 31 -5.578 -6.515 -19.068 171 3HG2 VAL 31 3HG2 VAL 31 -6.489 -6.801 -17.566 172 H LEU 32 H LEU 32 -3.540 -10.331 -16.389 173 HA LEU 32 HA LEU 32 -2.335 -10.298 -13.873 174 1HB LEU 32 1HB LEU 32 -1.656 -11.810 -16.398 175 2HB LEU 32 2HB LEU 32 -0.927 -12.123 -14.836 176 HG LEU 32 HG LEU 32 -3.905 -12.170 -14.962 177 1HD1 LEU 32 1HD1 LEU 32 -3.230 -14.783 -15.601 178 2HD1 LEU 32 2HD1 LEU 32 -4.005 -13.591 -16.672 179 3HD1 LEU 32 3HD1 LEU 32 -2.238 -13.803 -16.707 180 1HD2 LEU 32 1HD2 LEU 32 -2.764 -14.435 -13.680 181 2HD2 LEU 32 2HD2 LEU 32 -1.834 -13.002 -13.177 182 3HD2 LEU 32 3HD2 LEU 32 -3.599 -13.043 -12.949 183 H LEU 33 H LEU 33 -1.591 -8.621 -16.839 184 HA LEU 33 HA LEU 33 1.177 -8.366 -16.515 185 1HB LEU 33 1HB LEU 33 1.078 -6.834 -18.234 186 2HB LEU 33 2HB LEU 33 -0.280 -7.897 -18.545 187 HG LEU 33 HG LEU 33 -1.716 -6.129 -17.332 188 1HD1 LEU 33 1HD1 LEU 33 0.886 -4.888 -17.160 189 2HD1 LEU 33 2HD1 LEU 33 -0.246 -3.852 -18.062 190 3HD1 LEU 33 3HD1 LEU 33 -0.659 -4.404 -16.420 191 1HD2 LEU 33 1HD2 LEU 33 -0.772 -4.856 -19.811 192 2HD2 LEU 33 2HD2 LEU 33 -1.149 -6.589 -19.964 193 3HD2 LEU 33 3HD2 LEU 33 -2.385 -5.458 -19.362 194 H GLN 34 H GLN 34 -1.615 -6.401 -15.338 195 HA GLN 34 HA GLN 34 0.013 -4.450 -14.175 196 1HB GLN 34 1HB GLN 34 -2.013 -3.591 -13.216 197 2HB GLN 34 2HB GLN 34 -2.448 -4.239 -14.785 198 1HG GLN 34 1HG GLN 34 -3.993 -5.549 -13.771 199 2HG GLN 34 2HG GLN 34 -2.692 -6.430 -12.995 200 1HE2 GLN 34 2HE2 GLN 34 -2.087 -5.975 -10.902 201 2HE2 GLN 34 1HE2 GLN 34 -3.046 -5.030 -9.812 202 H VAL 35 H VAL 35 -1.370 -7.554 -13.035 203 HA VAL 35 HA VAL 35 -0.672 -7.119 -10.314 204 HB VAL 35 HB VAL 35 -1.633 -9.147 -9.939 205 1HG1 VAL 35 1HG1 VAL 35 -3.079 -7.598 -11.445 206 2HG1 VAL 35 2HG1 VAL 35 -2.799 -8.828 -12.700 207 3HG1 VAL 35 3HG1 VAL 35 -3.605 -9.277 -11.178 208 1HG2 VAL 35 1HG2 VAL 35 0.089 -10.438 -11.173 209 2HG2 VAL 35 2HG2 VAL 35 -1.552 -11.088 -11.399 210 3HG2 VAL 35 3HG2 VAL 35 -0.791 -10.125 -12.688 211 H LEU 36 H LEU 36 0.758 -9.017 -13.053 212 HA LEU 36 HA LEU 36 2.932 -9.971 -11.583 213 1HB LEU 36 1HB LEU 36 2.179 -10.965 -13.655 214 2HB LEU 36 2HB LEU 36 2.564 -9.505 -14.543 215 HG LEU 36 HG LEU 36 4.912 -9.834 -14.271 216 1HD1 LEU 36 1HD1 LEU 36 4.969 -10.548 -11.954 217 2HD1 LEU 36 2HD1 LEU 36 4.241 -12.113 -12.390 218 3HD1 LEU 36 3HD1 LEU 36 5.870 -11.697 -12.973 219 1HD2 LEU 36 1HD2 LEU 36 5.121 -12.295 -15.118 220 2HD2 LEU 36 2HD2 LEU 36 3.342 -12.243 -15.129 221 3HD2 LEU 36 3HD2 LEU 36 4.272 -11.079 -16.103 222 H GLU 37 H GLU 37 2.373 -6.943 -13.427 223 HA GLU 37 HA GLU 37 5.029 -6.102 -13.314 224 1HB GLU 37 1HB GLU 37 2.393 -4.642 -13.706 225 2HB GLU 37 2HB GLU 37 3.923 -3.787 -13.717 226 1HG GLU 37 1HG GLU 37 3.772 -6.246 -15.430 227 2HG GLU 37 2HG GLU 37 2.804 -4.881 -15.953 228 H ASP 38 H ASP 38 2.171 -5.575 -11.176 229 HA ASP 38 HA ASP 38 3.367 -3.708 -9.532 230 1HB ASP 38 1HB ASP 38 1.072 -5.633 -9.339 231 2HB ASP 38 2HB ASP 38 1.662 -4.984 -7.822 232 H THR 39 H THR 39 2.918 -7.310 -9.174 233 HA THR 39 HA THR 39 4.381 -7.541 -6.790 234 HB THR 39 HB THR 39 3.800 -9.561 -9.021 235 HG1 THR 39 HG1 THR 39 2.501 -8.862 -6.483 236 1HG2 THR 39 1HG2 THR 39 3.704 -10.522 -6.262 237 2HG2 THR 39 2HG2 THR 39 4.636 -11.172 -7.632 238 3HG2 THR 39 3HG2 THR 39 5.319 -9.871 -6.627 239 H CYS 40 H CYS 40 5.366 -7.461 -10.215 240 HA CYS 40 HA CYS 40 7.956 -8.443 -9.749 241 1HB CYS 40 1HB CYS 40 6.614 -6.972 -12.001 242 2HB CYS 40 2HB CYS 40 8.359 -7.133 -12.004 243 HG CYS 40 HG CYS 40 6.459 -9.023 -13.223 244 H ARG 41 H ARG 41 6.368 -5.227 -9.649 245 HA ARG 41 HA ARG 41 8.734 -3.763 -9.525 246 1HB ARG 41 1HB ARG 41 7.277 -2.002 -9.576 247 2HB ARG 41 2HB ARG 41 6.000 -3.196 -9.689 248 1HG ARG 41 1HG ARG 41 5.692 -3.209 -7.264 249 2HG ARG 41 2HG ARG 41 7.122 -2.225 -7.023 250 1HD ARG 41 1HD ARG 41 5.988 -0.286 -7.437 251 2HD ARG 41 2HD ARG 41 5.238 -0.936 -8.882 252 HE ARG 41 HE ARG 41 4.200 -1.310 -6.096 253 1HH1 ARG 41 2HH2 ARG 41 3.705 -1.359 -9.579 254 2HH1 ARG 41 1HH2 ARG 41 1.991 -1.581 -9.461 255 1HH2 ARG 41 2HH1 ARG 41 1.939 -1.602 -5.939 256 2HH2 ARG 41 1HH1 ARG 41 0.980 -1.720 -7.377 257 H ARG 42 H ARG 42 6.425 -4.979 -7.002 258 HA ARG 42 HA ARG 42 7.969 -3.914 -4.902 259 1HB ARG 42 1HB ARG 42 6.433 -5.561 -3.533 260 2HB ARG 42 2HB ARG 42 5.691 -4.196 -4.344 261 1HG ARG 42 1HG ARG 42 5.818 -6.319 -6.268 262 2HG ARG 42 2HG ARG 42 5.235 -7.031 -4.777 263 1HD ARG 42 1HD ARG 42 4.063 -4.476 -5.974 264 2HD ARG 42 2HD ARG 42 3.421 -6.072 -6.307 265 HE ARG 42 HE ARG 42 2.743 -6.276 -3.994 266 1HH1 ARG 42 2HH2 ARG 42 4.170 -3.152 -4.763 267 2HH1 ARG 42 1HH2 ARG 42 3.534 -2.372 -3.353 268 1HH2 ARG 42 2HH1 ARG 42 1.904 -5.246 -2.135 269 2HH2 ARG 42 1HH1 ARG 42 2.236 -3.571 -1.848 270 H GLN 43 H GLN 43 7.674 -7.074 -6.575 271 HA GLN 43 HA GLN 43 9.492 -8.273 -4.690 272 1HB GLN 43 1HB GLN 43 8.780 -10.321 -5.507 273 2HB GLN 43 2HB GLN 43 7.370 -9.350 -5.883 274 1HG GLN 43 1HG GLN 43 8.735 -8.893 -8.162 275 2HG GLN 43 2HG GLN 43 9.494 -10.414 -7.739 276 1HE2 GLN 43 2HE2 GLN 43 7.748 -12.029 -6.777 277 2HE2 GLN 43 1HE2 GLN 43 6.373 -12.295 -7.797 278 H ASP 44 H ASP 44 9.860 -6.163 -7.174 279 HA ASP 44 HA ASP 44 11.357 -5.741 -8.705 280 1HB ASP 44 1HB ASP 44 13.773 -6.242 -7.974 281 2HB ASP 44 2HB ASP 44 12.807 -5.289 -6.866 282 H PHE 45 H PHE 45 10.176 -7.620 -9.977 283 HA PHE 45 HA PHE 45 12.199 -9.636 -10.643 284 1HB PHE 45 1HB PHE 45 9.339 -9.799 -9.781 285 2HB PHE 45 2HB PHE 45 9.656 -10.704 -11.248 286 HD1 PHE 45 HD1 PHE 45 11.931 -10.204 -8.350 287 HD2 PHE 45 HD2 PHE 45 9.512 -12.922 -10.532 288 HE1 PHE 45 HE1 PHE 45 12.834 -12.105 -6.982 289 HE2 PHE 45 HE2 PHE 45 10.415 -14.824 -9.164 290 HZ PHE 45 HZ PHE 45 12.065 -14.392 -7.406 291 H ASN 46 H ASN 46 11.975 -10.512 -12.887 292 HA ASN 46 HA ASN 46 10.702 -8.523 -14.598 293 1HB ASN 46 1HB ASN 46 13.468 -9.549 -14.536 294 2HB ASN 46 2HB ASN 46 12.740 -9.784 -16.113 295 1HD2 ASN 46 2HD2 ASN 46 13.058 -7.359 -13.531 296 2HD2 ASN 46 1HD2 ASN 46 13.222 -5.969 -14.551 297 HA PRO 47 HA PRO 47 8.771 -12.075 -16.310 298 1HB PRO 47 1HB PRO 47 7.813 -11.046 -18.653 299 2HB PRO 47 2HB PRO 47 7.009 -10.829 -17.112 300 1HG PRO 47 1HG PRO 47 8.600 -8.879 -18.662 301 2HG PRO 47 2HG PRO 47 7.457 -8.581 -17.368 302 1HD PRO 47 1HD PRO 47 10.318 -8.517 -17.179 303 2HD PRO 47 2HD PRO 47 9.177 -8.333 -15.862 304 H SER 48 H SER 48 11.039 -10.330 -18.306 305 HA SER 48 HA SER 48 11.317 -12.364 -20.183 306 1HB SER 48 1HB SER 48 12.055 -10.065 -20.617 307 2HB SER 48 2HB SER 48 13.226 -10.151 -19.316 308 HG SER 48 HG SER 48 14.617 -11.122 -20.622 309 H GLU 49 H GLU 49 12.075 -12.315 -16.881 310 HA GLU 49 HA GLU 49 14.102 -14.369 -17.311 311 1HB GLU 49 1HB GLU 49 13.974 -12.197 -15.188 312 2HB GLU 49 2HB GLU 49 14.942 -13.640 -14.965 313 1HG GLU 49 1HG GLU 49 15.730 -12.914 -17.498 314 2HG GLU 49 2HG GLU 49 15.366 -11.338 -16.824 315 H TYR 50 H TYR 50 10.948 -13.783 -16.472 316 HA TYR 50 HA TYR 50 10.850 -16.226 -14.889 317 1HB TYR 50 1HB TYR 50 9.788 -13.422 -14.206 318 2HB TYR 50 2HB TYR 50 9.121 -14.850 -13.441 319 HD1 TYR 50 HD1 TYR 50 11.570 -16.478 -12.978 320 HD2 TYR 50 HD2 TYR 50 10.892 -12.283 -12.483 321 HE1 TYR 50 HE1 TYR 50 13.400 -16.383 -11.216 322 HE2 TYR 50 HE2 TYR 50 12.724 -12.202 -10.722 323 HH TYR 50 HH TYR 50 13.708 -14.075 -9.063 324 H ASP 51 H ASP 51 9.012 -17.460 -15.280 325 HA ASP 51 HA ASP 51 7.018 -16.180 -16.972 326 1HB ASP 51 1HB ASP 51 8.604 -18.687 -17.407 327 2HB ASP 51 2HB ASP 51 6.902 -18.784 -17.812 328 H LEU 52 H LEU 52 4.825 -17.043 -16.644 329 HA LEU 52 HA LEU 52 4.609 -18.820 -14.314 330 1HB LEU 52 1HB LEU 52 2.611 -16.673 -14.957 331 2HB LEU 52 2HB LEU 52 2.819 -17.575 -13.469 332 HG LEU 52 HG LEU 52 3.624 -15.454 -12.954 333 1HD1 LEU 52 1HD1 LEU 52 5.614 -15.999 -12.088 334 2HD1 LEU 52 2HD1 LEU 52 5.353 -17.579 -12.867 335 3HD1 LEU 52 3HD1 LEU 52 6.330 -16.334 -13.683 336 1HD2 LEU 52 1HD2 LEU 52 4.127 -15.262 -15.754 337 2HD2 LEU 52 2HD2 LEU 52 4.104 -13.971 -14.528 338 3HD2 LEU 52 3HD2 LEU 52 5.620 -14.832 -14.885 339 H LYS 53 H LYS 53 3.271 -20.580 -14.525 340 HA LYS 53 HA LYS 53 1.405 -20.623 -16.742 341 1HB LYS 53 1HB LYS 53 3.565 -21.414 -17.692 342 2HB LYS 53 2HB LYS 53 3.603 -22.699 -16.501 343 1HG LYS 53 1HG LYS 53 1.097 -22.407 -18.150 344 2HG LYS 53 2HG LYS 53 2.519 -23.047 -18.949 345 1HD LYS 53 1HD LYS 53 1.461 -24.157 -16.311 346 2HD LYS 53 2HD LYS 53 0.973 -24.786 -17.871 347 1HE LYS 53 1HE LYS 53 3.924 -24.540 -17.217 348 2HE LYS 53 2HE LYS 53 3.009 -25.892 -16.581 349 1HZ LYS 53 1HZ LYS 53 3.504 -25.208 -19.376 350 2HZ LYS 53 2HZ LYS 53 3.775 -26.622 -18.606 351 3HZ LYS 53 3HZ LYS 53 2.249 -26.172 -18.972 352 H PHE 54 H PHE 54 -0.355 -22.012 -16.374 353 HA PHE 54 HA PHE 54 -0.231 -23.536 -13.878 354 1HB PHE 54 1HB PHE 54 -1.636 -21.887 -13.037 355 2HB PHE 54 2HB PHE 54 -1.800 -21.145 -14.616 356 HD1 PHE 54 HD1 PHE 54 -3.790 -21.368 -15.839 357 HD2 PHE 54 HD2 PHE 54 -3.108 -23.904 -12.506 358 HE1 PHE 54 HE1 PHE 54 -6.158 -22.189 -15.979 359 HE2 PHE 54 HE2 PHE 54 -5.476 -24.725 -12.646 360 HZ PHE 54 HZ PHE 54 -6.972 -23.857 -14.381 361 H GLN 55 H GLN 55 -0.588 -25.636 -14.412 362 HA GLN 55 HA GLN 55 -1.404 -27.412 -15.354 363 1HB GLN 55 1HB GLN 55 -3.797 -25.577 -15.710 364 2HB GLN 55 2HB GLN 55 -3.846 -27.241 -16.257 365 1HG GLN 55 1HG GLN 55 -2.749 -27.115 -13.553 366 2HG GLN 55 2HG GLN 55 -4.287 -26.277 -13.613 367 1HE2 GLN 55 2HE2 GLN 55 -2.620 -29.293 -13.913 368 2HE2 GLN 55 1HE2 GLN 55 -3.993 -30.347 -13.987 369 H ARG 56 H ARG 56 -3.514 -25.997 -17.722 370 HA ARG 56 HA ARG 56 -1.451 -26.482 -19.714 371 1HB ARG 56 1HB ARG 56 -4.497 -26.677 -19.873 372 2HB ARG 56 2HB ARG 56 -3.470 -26.768 -21.290 373 1HG ARG 56 1HG ARG 56 -3.247 -28.627 -18.875 374 2HG ARG 56 2HG ARG 56 -4.091 -29.028 -20.358 375 1HD ARG 56 1HD ARG 56 -1.501 -28.100 -21.149 376 2HD ARG 56 2HD ARG 56 -1.238 -29.174 -19.789 377 HE ARG 56 HE ARG 56 -2.036 -30.991 -21.067 378 1HH1 ARG 56 2HH2 ARG 56 -2.669 -27.960 -22.740 379 2HH1 ARG 56 1HH2 ARG 56 -3.117 -28.727 -24.227 380 1HH2 ARG 56 2HH1 ARG 56 -2.627 -32.003 -23.029 381 2HH2 ARG 56 1HH1 ARG 56 -3.093 -31.041 -24.393 382 H THR 57 H THR 57 -2.348 -23.960 -18.052 383 HA THR 57 HA THR 57 -2.708 -22.204 -20.393 384 HB THR 57 HB THR 57 -4.004 -22.257 -17.648 385 HG1 THR 57 HG1 THR 57 -4.709 -21.679 -20.440 386 1HG2 THR 57 1HG2 THR 57 -3.166 -19.848 -19.220 387 2HG2 THR 57 2HG2 THR 57 -4.881 -19.895 -18.746 388 3HG2 THR 57 3HG2 THR 57 -3.611 -19.976 -17.502 389 H VAL 58 H VAL 58 -1.151 -20.749 -20.766 390 HA VAL 58 HA VAL 58 1.032 -20.660 -18.878 391 HB VAL 58 HB VAL 58 2.239 -19.603 -20.609 392 1HG1 VAL 58 1HG1 VAL 58 1.767 -22.018 -20.932 393 2HG1 VAL 58 2HG1 VAL 58 0.370 -21.588 -21.949 394 3HG1 VAL 58 3HG1 VAL 58 2.017 -21.154 -22.468 395 1HG2 VAL 58 1HG2 VAL 58 -0.319 -19.238 -22.198 396 2HG2 VAL 58 2HG2 VAL 58 0.420 -17.963 -21.200 397 3HG2 VAL 58 3HG2 VAL 58 1.307 -18.630 -22.592 398 H LEU 59 H LEU 59 1.680 -18.863 -17.670 399 HA LEU 59 HA LEU 59 -0.262 -16.658 -17.673 400 1HB LEU 59 1HB LEU 59 1.147 -18.097 -15.453 401 2HB LEU 59 2HB LEU 59 0.666 -16.424 -15.245 402 HG LEU 59 HG LEU 59 -1.014 -17.852 -14.296 403 1HD1 LEU 59 1HD1 LEU 59 -2.766 -16.657 -15.035 404 2HD1 LEU 59 2HD1 LEU 59 -1.542 -15.818 -16.018 405 3HD1 LEU 59 3HD1 LEU 59 -2.512 -17.128 -16.733 406 1HD2 LEU 59 1HD2 LEU 59 -2.265 -19.505 -15.599 407 2HD2 LEU 59 2HD2 LEU 59 -1.227 -19.185 -17.010 408 3HD2 LEU 59 3HD2 LEU 59 -0.530 -19.899 -15.536 409 H ASP 60 H ASP 60 0.528 -14.789 -18.459 410 HA ASP 60 HA ASP 60 3.283 -14.174 -17.844 411 1HB ASP 60 1HB ASP 60 2.815 -15.228 -20.270 412 2HB ASP 60 2HB ASP 60 2.282 -13.599 -20.636 413 H LEU 61 H LEU 61 3.036 -11.895 -19.917 414 HA LEU 61 HA LEU 61 1.471 -10.138 -18.217 415 1HB LEU 61 1HB LEU 61 3.326 -9.540 -20.526 416 2HB LEU 61 2HB LEU 61 2.557 -8.350 -19.494 417 HG LEU 61 HG LEU 61 4.242 -10.433 -18.174 418 1HD1 LEU 61 1HD1 LEU 61 5.275 -9.059 -20.365 419 2HD1 LEU 61 2HD1 LEU 61 5.849 -8.141 -18.952 420 3HD1 LEU 61 3HD1 LEU 61 6.195 -9.882 -19.082 421 1HD2 LEU 61 1HD2 LEU 61 4.702 -7.715 -17.353 422 2HD2 LEU 61 2HD2 LEU 61 2.953 -8.041 -17.419 423 3HD2 LEU 61 3HD2 LEU 61 4.015 -9.077 -16.435 424 H SER 62 H SER 62 1.581 -11.454 -21.554 425 HA SER 62 HA SER 62 -0.710 -9.884 -22.265 426 1HB SER 62 1HB SER 62 -0.456 -10.919 -24.481 427 2HB SER 62 2HB SER 62 1.087 -10.307 -23.918 428 HG SER 62 HG SER 62 1.724 -12.443 -23.341 429 H LEU 63 H LEU 63 -1.181 -11.589 -20.022 430 HA LEU 63 HA LEU 63 -3.141 -13.404 -21.214 431 1HB LEU 63 1HB LEU 63 -1.145 -14.076 -19.053 432 2HB LEU 63 2HB LEU 63 -2.596 -15.014 -19.350 433 HG LEU 63 HG LEU 63 -0.799 -16.134 -20.421 434 1HD1 LEU 63 1HD1 LEU 63 -1.757 -14.932 -22.916 435 2HD1 LEU 63 2HD1 LEU 63 -1.907 -16.597 -22.304 436 3HD1 LEU 63 3HD1 LEU 63 -3.060 -15.348 -21.777 437 1HD2 LEU 63 1HD2 LEU 63 0.287 -13.557 -20.761 438 2HD2 LEU 63 2HD2 LEU 63 1.024 -15.123 -21.176 439 3HD2 LEU 63 3HD2 LEU 63 0.082 -14.232 -22.395 440 H GLN 64 H GLN 64 -5.033 -12.419 -20.704 441 HA GLN 64 HA GLN 64 -5.186 -11.099 -18.139 442 1HB GLN 64 1HB GLN 64 -7.194 -11.167 -20.435 443 2HB GLN 64 2HB GLN 64 -7.309 -10.155 -19.009 444 1HG GLN 64 1HG GLN 64 -6.257 -8.618 -20.362 445 2HG GLN 64 2HG GLN 64 -4.813 -9.443 -19.810 446 1HE2 GLN 64 2HE2 GLN 64 -5.978 -8.123 -22.401 447 2HE2 GLN 64 1HE2 GLN 64 -5.453 -9.178 -23.671 448 H TRP 65 H TRP 65 -6.759 -11.638 -16.527 449 HA TRP 65 HA TRP 65 -7.301 -14.376 -16.293 450 1HB TRP 65 1HB TRP 65 -6.990 -12.939 -14.374 451 2HB TRP 65 2HB TRP 65 -8.395 -11.985 -14.804 452 HD1 TRP 65 HD1 TRP 65 -10.622 -14.142 -15.226 453 HE1 TRP 65 HE1 TRP 65 -11.541 -15.710 -13.314 454 HE3 TRP 65 HE3 TRP 65 -6.544 -13.740 -12.216 455 HZ2 TRP 65 HZ2 TRP 65 -10.484 -16.587 -10.812 456 HZ3 TRP 65 HZ3 TRP 65 -6.568 -14.984 -10.056 457 HH2 TRP 65 HH2 TRP 65 -8.449 -16.370 -9.338 458 H ARG 66 H ARG 66 -9.207 -11.520 -17.387 459 HA ARG 66 HA ARG 66 -11.655 -12.721 -17.485 460 1HB ARG 66 1HB ARG 66 -12.228 -10.959 -19.162 461 2HB ARG 66 2HB ARG 66 -11.308 -10.295 -17.827 462 1HG ARG 66 1HG ARG 66 -9.197 -10.690 -19.291 463 2HG ARG 66 2HG ARG 66 -10.303 -10.963 -20.623 464 1HD ARG 66 1HD ARG 66 -10.724 -8.478 -18.969 465 2HD ARG 66 2HD ARG 66 -9.337 -8.505 -20.040 466 HE ARG 66 HE ARG 66 -11.767 -9.407 -21.376 467 1HH1 ARG 66 2HH2 ARG 66 -9.947 -6.557 -20.405 468 2HH1 ARG 66 1HH2 ARG 66 -10.637 -5.542 -21.628 469 1HH2 ARG 66 2HH1 ARG 66 -12.678 -8.070 -22.990 470 2HH2 ARG 66 1HH1 ARG 66 -12.201 -6.409 -23.108 471 H PHE 67 H PHE 67 -8.809 -13.432 -19.294 472 HA PHE 67 HA PHE 67 -10.411 -14.750 -21.371 473 1HB PHE 67 1HB PHE 67 -7.596 -13.547 -21.215 474 2HB PHE 67 2HB PHE 67 -8.002 -14.679 -22.490 475 HD1 PHE 67 HD1 PHE 67 -10.800 -13.819 -23.083 476 HD2 PHE 67 HD2 PHE 67 -7.290 -11.543 -22.371 477 HE1 PHE 67 HE1 PHE 67 -11.742 -11.939 -24.452 478 HE2 PHE 67 HE2 PHE 67 -8.232 -9.662 -23.741 479 HZ PHE 67 HZ PHE 67 -10.447 -9.882 -24.765 480 H ALA 68 H ALA 68 -7.258 -15.037 -19.571 481 HA ALA 68 HA ALA 68 -6.912 -17.745 -20.131 482 1HB ALA 68 1HB ALA 68 -5.032 -16.501 -19.412 483 2HB ALA 68 2HB ALA 68 -5.890 -15.858 -17.991 484 3HB ALA 68 3HB ALA 68 -5.403 -17.569 -18.037 485 H ASN 69 H ASN 69 -9.210 -16.120 -18.132 486 HA ASN 69 HA ASN 69 -10.478 -16.749 -16.452 487 1HB ASN 69 1HB ASN 69 -11.648 -19.036 -16.946 488 2HB ASN 69 2HB ASN 69 -11.792 -17.779 -18.159 489 1HD2 ASN 69 2HD2 ASN 69 -11.259 -18.232 -20.159 490 2HD2 ASN 69 1HD2 ASN 69 -10.311 -19.573 -20.709 491 H LEU 70 H LEU 70 -8.752 -16.922 -14.784 492 HA LEU 70 HA LEU 70 -7.602 -19.543 -14.368 493 1HB LEU 70 1HB LEU 70 -7.261 -16.989 -12.792 494 2HB LEU 70 2HB LEU 70 -6.307 -18.450 -12.634 495 HG LEU 70 HG LEU 70 -6.427 -17.029 -15.280 496 1HD1 LEU 70 1HD1 LEU 70 -4.268 -16.309 -13.339 497 2HD1 LEU 70 2HD1 LEU 70 -4.911 -15.403 -14.730 498 3HD1 LEU 70 3HD1 LEU 70 -5.845 -15.492 -13.218 499 1HD2 LEU 70 1HD2 LEU 70 -5.399 -19.243 -15.195 500 2HD2 LEU 70 2HD2 LEU 70 -4.191 -17.986 -15.553 501 3HD2 LEU 70 3HD2 LEU 70 -4.287 -18.690 -13.921 502 HA PRO 71 HA PRO 71 -10.357 -20.750 -11.275 503 1HB PRO 71 1HB PRO 71 -8.794 -22.174 -9.544 504 2HB PRO 71 2HB PRO 71 -9.375 -22.822 -11.064 505 1HG PRO 71 1HG PRO 71 -6.660 -21.884 -10.367 506 2HG PRO 71 2HG PRO 71 -7.159 -22.907 -11.699 507 1HD PRO 71 1HD PRO 71 -6.470 -20.127 -11.836 508 2HD PRO 71 2HD PRO 71 -7.080 -21.121 -13.144 509 H ASN 72 H ASN 72 -10.901 -20.844 -8.850 510 HA ASN 72 HA ASN 72 -11.149 -18.422 -7.906 511 1HB ASN 72 1HB ASN 72 -10.657 -19.640 -5.518 512 2HB ASN 72 2HB ASN 72 -12.114 -19.944 -6.443 513 1HD2 ASN 72 2HD2 ASN 72 -12.225 -21.774 -7.822 514 2HD2 ASN 72 1HD2 ASN 72 -11.276 -23.192 -7.524 515 H ASN 73 H ASN 73 -8.747 -20.355 -6.047 516 HA ASN 73 HA ASN 73 -7.234 -18.131 -5.413 517 1HB ASN 73 1HB ASN 73 -7.271 -20.941 -4.796 518 2HB ASN 73 2HB ASN 73 -5.635 -20.567 -5.299 519 1HD2 ASN 73 2HD2 ASN 73 -7.551 -20.830 -2.715 520 2HD2 ASN 73 1HD2 ASN 73 -6.829 -19.710 -1.609 521 H ALA 74 H ALA 74 -7.602 -19.616 -8.387 522 HA ALA 74 HA ALA 74 -6.184 -20.129 -10.107 523 1HB ALA 74 1HB ALA 74 -6.096 -17.176 -9.468 524 2HB ALA 74 2HB ALA 74 -5.243 -17.819 -10.892 525 3HB ALA 74 3HB ALA 74 -7.004 -18.026 -10.742 526 H LYS 75 H LYS 75 -4.629 -21.588 -9.191 527 HA LYS 75 HA LYS 75 -2.242 -20.398 -8.059 528 1HB LYS 75 1HB LYS 75 -1.644 -22.614 -7.421 529 2HB LYS 75 2HB LYS 75 -3.344 -22.406 -7.054 530 1HG LYS 75 1HG LYS 75 -3.811 -24.225 -8.320 531 2HG LYS 75 2HG LYS 75 -3.266 -23.352 -9.738 532 1HD LYS 75 1HD LYS 75 -0.844 -24.081 -8.660 533 2HD LYS 75 2HD LYS 75 -1.838 -25.417 -8.114 534 1HE LYS 75 1HE LYS 75 -2.427 -26.054 -10.346 535 2HE LYS 75 2HE LYS 75 -1.944 -24.507 -11.012 536 1HZ LYS 75 1HZ LYS 75 0.316 -25.034 -10.571 537 2HZ LYS 75 2HZ LYS 75 -0.074 -26.407 -9.777 538 3HZ LYS 75 3HZ LYS 75 -0.336 -26.290 -11.385 539 H LEU 76 H LEU 76 -0.393 -20.002 -9.171 540 HA LEU 76 HA LEU 76 -0.202 -21.219 -11.838 541 1HB LEU 76 1HB LEU 76 1.034 -18.567 -11.318 542 2HB LEU 76 2HB LEU 76 0.408 -19.250 -12.805 543 HG LEU 76 HG LEU 76 -1.092 -17.552 -12.356 544 1HD1 LEU 76 1HD1 LEU 76 -2.991 -18.707 -12.481 545 2HD1 LEU 76 2HD1 LEU 76 -2.016 -20.162 -12.164 546 3HD1 LEU 76 3HD1 LEU 76 -2.822 -19.320 -10.818 547 1HD2 LEU 76 1HD2 LEU 76 -0.072 -17.458 -9.875 548 2HD2 LEU 76 2HD2 LEU 76 -1.563 -16.612 -10.352 549 3HD2 LEU 76 3HD2 LEU 76 -1.659 -18.176 -9.509 550 H GLU 77 H GLU 77 2.001 -21.638 -12.591 551 HA GLU 77 HA GLU 77 3.717 -22.149 -10.301 552 1HB GLU 77 1HB GLU 77 4.193 -24.139 -11.265 553 2HB GLU 77 2HB GLU 77 2.888 -23.809 -12.387 554 1HG GLU 77 1HG GLU 77 4.517 -22.639 -13.908 555 2HG GLU 77 2HG GLU 77 5.814 -23.030 -12.797 556 H MET 78 H MET 78 5.704 -21.147 -10.097 557 HA MET 78 HA MET 78 6.272 -19.131 -12.064 558 1HB MET 78 1HB MET 78 6.486 -19.274 -9.296 559 2HB MET 78 2HB MET 78 8.143 -19.594 -9.767 560 1HG MET 78 1HG MET 78 6.477 -17.164 -10.580 561 2HG MET 78 2HG MET 78 7.814 -17.168 -9.448 562 1HE MET 78 1HE MET 78 10.881 -17.210 -11.153 563 2HE MET 78 2HE MET 78 10.023 -15.658 -10.998 564 3HE MET 78 3HE MET 78 9.835 -16.908 -9.745 565 H VAL 79 H VAL 79 8.011 -19.119 -13.490 566 HA VAL 79 HA VAL 79 10.073 -21.133 -13.150 567 HB VAL 79 HB VAL 79 9.740 -22.227 -15.157 568 1HG1 VAL 79 1HG1 VAL 79 7.983 -22.737 -13.435 569 2HG1 VAL 79 2HG1 VAL 79 6.887 -21.639 -14.307 570 3HG1 VAL 79 3HG1 VAL 79 7.503 -23.103 -15.110 571 1HG2 VAL 79 1HG2 VAL 79 7.839 -20.012 -15.997 572 2HG2 VAL 79 2HG2 VAL 79 9.492 -20.278 -16.602 573 3HG2 VAL 79 3HG2 VAL 79 8.215 -21.468 -16.950 574 HA PRO 80 HA PRO 80 12.302 -17.706 -14.593 575 1HB PRO 80 1HB PRO 80 14.775 -18.853 -14.787 576 2HB PRO 80 2HB PRO 80 14.113 -18.251 -13.280 577 1HG PRO 80 1HG PRO 80 14.409 -21.049 -14.188 578 2HG PRO 80 2HG PRO 80 14.158 -20.443 -12.563 579 1HD PRO 80 1HD PRO 80 12.196 -21.667 -14.260 580 2HD PRO 80 2HD PRO 80 11.920 -20.957 -12.682 581 H VAL 81 H VAL 81 12.553 -16.655 -16.479 582 HA VAL 81 HA VAL 81 13.806 -17.477 -18.664 583 HB VAL 81 HB VAL 81 12.358 -19.543 -18.471 584 1HG1 VAL 81 1HG1 VAL 81 10.156 -18.143 -19.892 585 2HG1 VAL 81 2HG1 VAL 81 10.106 -19.511 -18.754 586 3HG1 VAL 81 3HG1 VAL 81 10.277 -17.848 -18.141 587 1HG2 VAL 81 1HG2 VAL 81 13.255 -18.081 -20.733 588 2HG2 VAL 81 2HG2 VAL 81 12.967 -19.833 -20.595 589 3HG2 VAL 81 3HG2 VAL 81 11.661 -18.757 -21.147 590 H SER 82 H SER 82 11.733 -16.896 -20.715 591 HA SER 82 HA SER 82 11.050 -14.196 -19.855 592 1HB SER 82 1HB SER 82 11.550 -13.433 -22.192 593 2HB SER 82 2HB SER 82 12.967 -14.011 -21.338 594 HG SER 82 HG SER 82 13.240 -15.286 -23.035 595 H ARG 83 H ARG 83 9.433 -13.240 -21.724 596 HA ARG 83 HA ARG 83 7.095 -14.502 -21.426 597 1HB ARG 83 1HB ARG 83 8.173 -12.601 -23.511 598 2HB ARG 83 2HB ARG 83 6.593 -13.303 -23.797 599 1HG ARG 83 1HG ARG 83 5.795 -11.608 -22.496 600 2HG ARG 83 2HG ARG 83 6.373 -12.555 -21.140 601 1HD ARG 83 1HD ARG 83 7.322 -10.372 -20.836 602 2HD ARG 83 2HD ARG 83 8.641 -11.369 -21.415 603 HE ARG 83 HE ARG 83 7.168 -9.321 -23.006 604 1HH1 ARG 83 2HH2 ARG 83 9.779 -11.671 -22.782 605 2HH1 ARG 83 1HH2 ARG 83 10.605 -11.076 -24.184 606 1HH2 ARG 83 2HH1 ARG 83 8.259 -8.537 -24.855 607 2HH2 ARG 83 1HH1 ARG 83 9.735 -9.281 -25.370 608 H SER 84 H SER 84 9.170 -14.639 -24.424 609 HA SER 84 HA SER 84 8.064 -17.294 -24.868 610 1HB SER 84 1HB SER 84 8.449 -15.086 -26.933 611 2HB SER 84 2HB SER 84 8.162 -16.761 -27.363 612 HG SER 84 HG SER 84 6.133 -15.857 -27.351 613 H ARG 85 H ARG 85 9.594 -18.852 -25.487 614 HA ARG 85 HA ARG 85 12.217 -18.355 -24.929 615 1HB ARG 85 1HB ARG 85 10.789 -20.530 -26.496 616 2HB ARG 85 2HB ARG 85 12.539 -20.549 -26.396 617 1HG ARG 85 1HG ARG 85 12.132 -20.247 -23.793 618 2HG ARG 85 2HG ARG 85 10.517 -20.823 -24.154 619 1HD ARG 85 1HD ARG 85 11.734 -22.780 -25.427 620 2HD ARG 85 2HD ARG 85 13.158 -22.279 -24.537 621 HE ARG 85 HE ARG 85 10.806 -22.619 -22.827 622 1HH1 ARG 85 2HH2 ARG 85 13.524 -24.267 -24.336 623 2HH1 ARG 85 1HH2 ARG 85 13.539 -25.565 -23.189 624 1HH2 ARG 85 2HH1 ARG 85 10.825 -24.331 -21.313 625 2HH2 ARG 85 1HH1 ARG 85 11.993 -25.601 -21.458 Start of MODEL 13 1 H SER 10 H SER 10 -12.278 -13.308 -6.717 2 HA SER 10 HA SER 10 -11.082 -15.785 -7.619 3 1HB SER 10 1HB SER 10 -11.217 -12.990 -8.818 4 2HB SER 10 2HB SER 10 -10.236 -14.264 -9.516 5 HG SER 10 HG SER 10 -12.954 -14.895 -8.951 6 H ALA 11 H ALA 11 -8.939 -16.282 -7.206 7 HA ALA 11 HA ALA 11 -7.151 -14.106 -6.461 8 1HB ALA 11 1HB ALA 11 -8.141 -16.294 -4.680 9 2HB ALA 11 2HB ALA 11 -6.406 -15.905 -4.598 10 3HB ALA 11 3HB ALA 11 -7.617 -14.641 -4.278 11 H VAL 12 H VAL 12 -4.908 -14.627 -6.818 12 HA VAL 12 HA VAL 12 -4.564 -17.089 -8.387 13 HB VAL 12 HB VAL 12 -4.254 -14.379 -9.143 14 1HG1 VAL 12 1HG1 VAL 12 -1.623 -15.847 -8.829 15 2HG1 VAL 12 2HG1 VAL 12 -1.853 -14.502 -9.972 16 3HG1 VAL 12 3HG1 VAL 12 -2.067 -14.233 -8.225 17 1HG2 VAL 12 1HG2 VAL 12 -3.416 -15.500 -11.294 18 2HG2 VAL 12 2HG2 VAL 12 -3.646 -17.044 -10.438 19 3HG2 VAL 12 3HG2 VAL 12 -5.033 -15.961 -10.709 20 H SER 13 H SER 13 -2.774 -18.372 -7.922 21 HA SER 13 HA SER 13 -1.100 -17.355 -5.761 22 1HB SER 13 1HB SER 13 -2.793 -19.118 -5.040 23 2HB SER 13 2HB SER 13 -1.984 -20.253 -6.103 24 HG SER 13 HG SER 13 -0.206 -18.916 -4.414 25 H VAL 14 H VAL 14 1.103 -17.496 -6.150 26 HA VAL 14 HA VAL 14 1.901 -19.157 -8.440 27 HB VAL 14 HB VAL 14 3.613 -16.874 -7.786 28 1HG1 VAL 14 1HG1 VAL 14 2.490 -16.958 -10.466 29 2HG1 VAL 14 2HG1 VAL 14 4.177 -17.149 -9.931 30 3HG1 VAL 14 3HG1 VAL 14 3.089 -18.557 -9.963 31 1HG2 VAL 14 1HG2 VAL 14 0.738 -16.415 -8.620 32 2HG2 VAL 14 2HG2 VAL 14 1.628 -15.680 -7.265 33 3HG2 VAL 14 3HG2 VAL 14 2.037 -15.241 -8.941 34 H LEU 15 H LEU 15 3.129 -20.852 -7.822 35 HA LEU 15 HA LEU 15 4.642 -20.540 -5.327 36 1HB LEU 15 1HB LEU 15 4.204 -22.686 -4.801 37 2HB LEU 15 2HB LEU 15 2.761 -22.327 -5.728 38 HG LEU 15 HG LEU 15 3.604 -24.513 -6.316 39 1HD1 LEU 15 1HD1 LEU 15 3.059 -24.283 -8.470 40 2HD1 LEU 15 2HD1 LEU 15 2.916 -22.545 -8.113 41 3HD1 LEU 15 3HD1 LEU 15 4.426 -23.191 -8.799 42 1HD2 LEU 15 1HD2 LEU 15 5.761 -25.015 -6.393 43 2HD2 LEU 15 2HD2 LEU 15 6.019 -23.863 -7.725 44 3HD2 LEU 15 3HD2 LEU 15 6.148 -23.314 -6.037 45 H ALA 16 H ALA 16 6.802 -20.311 -5.497 46 HA ALA 16 HA ALA 16 8.012 -20.732 -8.085 47 1HB ALA 16 1HB ALA 16 9.612 -19.279 -7.336 48 2HB ALA 16 2HB ALA 16 8.343 -18.848 -6.165 49 3HB ALA 16 3HB ALA 16 9.636 -19.979 -5.700 50 HA PRO 17 HA PRO 17 9.473 -24.681 -7.025 51 1HB PRO 17 1HB PRO 17 11.144 -25.097 -9.147 52 2HB PRO 17 2HB PRO 17 9.414 -25.364 -9.224 53 1HG PRO 17 1HG PRO 17 10.998 -23.137 -10.352 54 2HG PRO 17 2HG PRO 17 9.373 -23.648 -10.764 55 1HD PRO 17 1HD PRO 17 10.106 -21.386 -9.160 56 2HD PRO 17 2HD PRO 17 8.483 -21.964 -9.476 57 H ASN 18 H ASN 18 11.259 -21.885 -6.964 58 HA ASN 18 HA ASN 18 13.735 -23.137 -6.385 59 1HB ASN 18 1HB ASN 18 14.496 -20.834 -5.869 60 2HB ASN 18 2HB ASN 18 13.577 -20.833 -7.361 61 1HD2 ASN 18 2HD2 ASN 18 13.194 -18.616 -7.061 62 2HD2 ASN 18 1HD2 ASN 18 11.978 -18.027 -5.976 63 H GLY 19 H GLY 19 10.852 -23.064 -4.745 64 1HA GLY 19 1HA GLY 19 10.621 -23.923 -2.579 65 2HA GLY 19 2HA GLY 19 12.175 -23.249 -2.130 66 H ARG 20 H ARG 20 10.205 -21.123 -4.064 67 HA ARG 20 HA ARG 20 9.511 -19.702 -1.620 68 1HB ARG 20 1HB ARG 20 10.345 -18.743 -4.381 69 2HB ARG 20 2HB ARG 20 9.403 -17.688 -3.345 70 1HG ARG 20 1HG ARG 20 11.829 -19.034 -2.158 71 2HG ARG 20 2HG ARG 20 12.091 -17.704 -3.269 72 1HD ARG 20 1HD ARG 20 11.695 -16.267 -1.555 73 2HD ARG 20 2HD ARG 20 10.025 -16.799 -1.548 74 HE ARG 20 HE ARG 20 10.474 -18.199 0.308 75 1HH1 ARG 20 2HH2 ARG 20 13.460 -16.846 -0.970 76 2HH1 ARG 20 1HH2 ARG 20 14.414 -17.335 0.392 77 1HH2 ARG 20 2HH1 ARG 20 11.731 -18.844 2.104 78 2HH2 ARG 20 1HH1 ARG 20 13.423 -18.479 2.151 79 H ARG 21 H ARG 21 7.330 -19.792 -1.187 80 HA ARG 21 HA ARG 21 5.581 -20.061 -3.495 81 1HB ARG 21 1HB ARG 21 5.592 -21.238 -0.761 82 2HB ARG 21 2HB ARG 21 4.018 -20.655 -1.264 83 1HG ARG 21 1HG ARG 21 3.789 -22.259 -2.904 84 2HG ARG 21 2HG ARG 21 5.482 -22.198 -3.352 85 1HD ARG 21 1HD ARG 21 5.707 -24.185 -2.258 86 2HD ARG 21 2HD ARG 21 5.586 -23.267 -0.771 87 HE ARG 21 HE ARG 21 2.977 -23.937 -1.925 88 1HH1 ARG 21 2HH2 ARG 21 5.572 -25.049 0.175 89 2HH1 ARG 21 1HH2 ARG 21 4.563 -26.151 1.052 90 1HH2 ARG 21 2HH1 ARG 21 1.645 -25.390 -0.769 91 2HH2 ARG 21 1HH1 ARG 21 2.315 -26.346 0.512 92 H HIS 22 H HIS 22 4.253 -18.329 -3.967 93 HA HIS 22 HA HIS 22 3.498 -16.579 -1.769 94 1HB HIS 22 1HB HIS 22 4.047 -14.577 -3.049 95 2HB HIS 22 2HB HIS 22 5.474 -15.538 -2.720 96 HD1 HIS 22 HD1 HIS 22 5.619 -17.513 -4.975 97 HD2 HIS 22 HD2 HIS 22 4.359 -13.554 -5.552 98 HE1 HIS 22 HE1 HIS 22 5.987 -16.999 -7.447 99 H THR 23 H THR 23 1.392 -15.823 -1.926 100 HA THR 23 HA THR 23 -0.019 -16.547 -4.411 101 HB THR 23 HB THR 23 -0.617 -18.070 -2.561 102 HG1 THR 23 HG1 THR 23 -2.887 -17.485 -2.658 103 1HG2 THR 23 1HG2 THR 23 -1.596 -15.603 -1.051 104 2HG2 THR 23 2HG2 THR 23 -1.525 -17.284 -0.468 105 3HG2 THR 23 3HG2 THR 23 -0.023 -16.358 -0.698 106 H VAL 24 H VAL 24 -0.955 -14.934 -5.499 107 HA VAL 24 HA VAL 24 -1.417 -12.452 -3.992 108 HB VAL 24 HB VAL 24 -0.518 -12.799 -6.859 109 1HG1 VAL 24 1HG1 VAL 24 -2.016 -10.866 -6.565 110 2HG1 VAL 24 2HG1 VAL 24 -0.978 -10.262 -5.252 111 3HG1 VAL 24 3HG1 VAL 24 -0.347 -10.356 -6.914 112 1HG2 VAL 24 1HG2 VAL 24 1.408 -11.305 -5.648 113 2HG2 VAL 24 2HG2 VAL 24 0.928 -12.377 -4.310 114 3HG2 VAL 24 3HG2 VAL 24 1.488 -13.071 -5.851 115 H LYS 25 H LYS 25 -3.516 -11.840 -3.901 116 HA LYS 25 HA LYS 25 -5.413 -13.316 -5.494 117 1HB LYS 25 1HB LYS 25 -7.072 -12.033 -4.108 118 2HB LYS 25 2HB LYS 25 -5.980 -13.064 -3.206 119 1HG LYS 25 1HG LYS 25 -4.660 -11.213 -2.450 120 2HG LYS 25 2HG LYS 25 -5.309 -10.136 -3.670 121 1HD LYS 25 1HD LYS 25 -7.569 -10.286 -2.571 122 2HD LYS 25 2HD LYS 25 -6.882 -11.315 -1.330 123 1HE LYS 25 1HE LYS 25 -5.324 -9.503 -0.650 124 2HE LYS 25 2HE LYS 25 -5.928 -8.475 -1.935 125 1HZ LYS 25 1HZ LYS 25 -6.983 -8.817 0.595 126 2HZ LYS 25 2HZ LYS 25 -7.549 -7.863 -0.604 127 3HZ LYS 25 3HZ LYS 25 -8.091 -9.396 -0.455 128 H VAL 26 H VAL 26 -5.686 -12.713 -7.580 129 HA VAL 26 HA VAL 26 -5.625 -9.832 -8.137 130 HB VAL 26 HB VAL 26 -4.990 -10.370 -10.342 131 1HG1 VAL 26 1HG1 VAL 26 -3.540 -12.013 -8.263 132 2HG1 VAL 26 2HG1 VAL 26 -2.988 -11.950 -9.954 133 3HG1 VAL 26 3HG1 VAL 26 -3.074 -10.456 -8.990 134 1HG2 VAL 26 1HG2 VAL 26 -6.199 -12.124 -11.166 135 2HG2 VAL 26 2HG2 VAL 26 -4.682 -12.986 -10.816 136 3HG2 VAL 26 3HG2 VAL 26 -6.044 -13.081 -9.674 137 H THR 27 H THR 27 -7.169 -9.188 -10.001 138 HA THR 27 HA THR 27 -9.785 -10.280 -9.309 139 HB THR 27 HB THR 27 -9.470 -7.956 -11.173 140 HG1 THR 27 HG1 THR 27 -8.821 -7.903 -8.315 141 1HG2 THR 27 1HG2 THR 27 -11.242 -8.877 -8.974 142 2HG2 THR 27 2HG2 THR 27 -10.807 -7.154 -8.858 143 3HG2 THR 27 3HG2 THR 27 -11.602 -7.775 -10.324 144 HA PRO 28 HA PRO 28 -10.263 -12.386 -13.015 145 1HB PRO 28 1HB PRO 28 -12.979 -12.379 -13.316 146 2HB PRO 28 2HB PRO 28 -12.138 -13.476 -12.240 147 1HG PRO 28 1HG PRO 28 -13.721 -11.071 -11.569 148 2HG PRO 28 2HG PRO 28 -13.240 -12.395 -10.526 149 1HD PRO 28 1HD PRO 28 -12.074 -9.776 -10.623 150 2HD PRO 28 2HD PRO 28 -11.520 -11.135 -9.665 151 H SER 29 H SER 29 -11.054 -9.139 -12.761 152 HA SER 29 HA SER 29 -11.345 -9.044 -15.661 153 1HB SER 29 1HB SER 29 -12.247 -6.644 -15.078 154 2HB SER 29 2HB SER 29 -13.292 -8.033 -14.855 155 HG SER 29 HG SER 29 -12.171 -6.306 -12.949 156 H THR 30 H THR 30 -9.145 -8.673 -13.156 157 HA THR 30 HA THR 30 -7.847 -6.297 -14.218 158 HB THR 30 HB THR 30 -7.563 -8.107 -11.796 159 HG1 THR 30 HG1 THR 30 -8.970 -6.142 -11.979 160 1HG2 THR 30 1HG2 THR 30 -5.549 -6.070 -12.868 161 2HG2 THR 30 2HG2 THR 30 -5.642 -6.519 -11.148 162 3HG2 THR 30 3HG2 THR 30 -5.224 -7.747 -12.366 163 H VAL 31 H VAL 31 -5.922 -6.221 -15.328 164 HA VAL 31 HA VAL 31 -5.287 -8.619 -16.756 165 HB VAL 31 HB VAL 31 -3.571 -7.099 -17.802 166 1HG1 VAL 31 1HG1 VAL 31 -6.336 -7.280 -18.165 167 2HG1 VAL 31 2HG1 VAL 31 -5.995 -5.533 -18.197 168 3HG1 VAL 31 3HG1 VAL 31 -5.147 -6.626 -19.317 169 1HG2 VAL 31 1HG2 VAL 31 -4.982 -4.884 -16.294 170 2HG2 VAL 31 2HG2 VAL 31 -3.439 -5.590 -15.755 171 3HG2 VAL 31 3HG2 VAL 31 -3.541 -4.773 -17.333 172 H LEU 32 H LEU 32 -3.714 -10.090 -16.305 173 HA LEU 32 HA LEU 32 -2.450 -10.083 -13.838 174 1HB LEU 32 1HB LEU 32 -1.996 -11.593 -16.400 175 2HB LEU 32 2HB LEU 32 -0.989 -11.858 -14.990 176 HG LEU 32 HG LEU 32 -3.896 -11.987 -14.467 177 1HD1 LEU 32 1HD1 LEU 32 -4.317 -13.148 -16.366 178 2HD1 LEU 32 2HD1 LEU 32 -2.623 -13.658 -16.569 179 3HD1 LEU 32 3HD1 LEU 32 -3.669 -14.492 -15.394 180 1HD2 LEU 32 1HD2 LEU 32 -2.036 -14.207 -13.808 181 2HD2 LEU 32 2HD2 LEU 32 -1.710 -12.630 -13.049 182 3HD2 LEU 32 3HD2 LEU 32 -3.290 -13.418 -12.821 183 H LEU 33 H LEU 33 -1.710 -8.381 -16.791 184 HA LEU 33 HA LEU 33 1.063 -8.165 -16.492 185 1HB LEU 33 1HB LEU 33 0.896 -6.350 -18.056 186 2HB LEU 33 2HB LEU 33 -0.123 -7.685 -18.554 187 HG LEU 33 HG LEU 33 -1.934 -6.191 -17.180 188 1HD1 LEU 33 1HD1 LEU 33 -0.333 -4.408 -16.705 189 2HD1 LEU 33 2HD1 LEU 33 -0.032 -4.200 -18.447 190 3HD1 LEU 33 3HD1 LEU 33 -1.638 -3.836 -17.772 191 1HD2 LEU 33 1HD2 LEU 33 -1.167 -5.939 -20.101 192 2HD2 LEU 33 2HD2 LEU 33 -2.290 -7.119 -19.383 193 3HD2 LEU 33 3HD2 LEU 33 -2.702 -5.387 -19.390 194 H GLN 34 H GLN 34 -1.687 -6.174 -15.258 195 HA GLN 34 HA GLN 34 -0.013 -4.271 -14.078 196 1HB GLN 34 1HB GLN 34 -2.033 -3.430 -13.030 197 2HB GLN 34 2HB GLN 34 -2.436 -3.931 -14.660 198 1HG GLN 34 1HG GLN 34 -3.961 -5.414 -13.878 199 2HG GLN 34 2HG GLN 34 -2.741 -6.217 -12.910 200 1HE2 GLN 34 2HE2 GLN 34 -2.098 -5.073 -10.874 201 2HE2 GLN 34 1HE2 GLN 34 -3.347 -4.352 -9.915 202 H VAL 35 H VAL 35 -1.459 -7.360 -12.974 203 HA VAL 35 HA VAL 35 -0.732 -6.981 -10.252 204 HB VAL 35 HB VAL 35 -1.767 -8.965 -9.898 205 1HG1 VAL 35 1HG1 VAL 35 -3.705 -9.109 -11.220 206 2HG1 VAL 35 2HG1 VAL 35 -3.177 -7.419 -11.402 207 3HG1 VAL 35 3HG1 VAL 35 -2.850 -8.597 -12.695 208 1HG2 VAL 35 1HG2 VAL 35 -0.923 -10.002 -12.624 209 2HG2 VAL 35 2HG2 VAL 35 -0.028 -10.282 -11.112 210 3HG2 VAL 35 3HG2 VAL 35 -1.675 -10.930 -11.304 211 H LEU 36 H LEU 36 0.634 -8.872 -13.029 212 HA LEU 36 HA LEU 36 2.802 -9.883 -11.577 213 1HB LEU 36 1HB LEU 36 2.034 -10.896 -13.612 214 2HB LEU 36 2HB LEU 36 2.357 -9.437 -14.528 215 HG LEU 36 HG LEU 36 4.729 -9.716 -14.313 216 1HD1 LEU 36 1HD1 LEU 36 4.165 -12.079 -12.500 217 2HD1 LEU 36 2HD1 LEU 36 5.765 -11.547 -13.070 218 3HD1 LEU 36 3HD1 LEU 36 4.809 -10.498 -11.996 219 1HD2 LEU 36 1HD2 LEU 36 5.073 -11.657 -15.617 220 2HD2 LEU 36 2HD2 LEU 36 3.648 -12.470 -14.927 221 3HD2 LEU 36 3HD2 LEU 36 3.438 -11.077 -16.015 222 H GLU 37 H GLU 37 2.256 -6.832 -13.373 223 HA GLU 37 HA GLU 37 4.931 -6.045 -13.349 224 1HB GLU 37 1HB GLU 37 2.300 -4.564 -13.652 225 2HB GLU 37 2HB GLU 37 3.820 -3.693 -13.636 226 1HG GLU 37 1HG GLU 37 3.635 -6.092 -15.444 227 2HG GLU 37 2HG GLU 37 2.731 -4.667 -15.915 228 H ASP 38 H ASP 38 2.183 -5.556 -11.073 229 HA ASP 38 HA ASP 38 3.464 -3.715 -9.454 230 1HB ASP 38 1HB ASP 38 1.110 -5.521 -9.299 231 2HB ASP 38 2HB ASP 38 1.808 -5.153 -7.735 232 H THR 39 H THR 39 2.996 -7.320 -9.146 233 HA THR 39 HA THR 39 4.513 -7.640 -6.825 234 HB THR 39 HB THR 39 4.009 -9.595 -9.131 235 HG1 THR 39 HG1 THR 39 2.011 -9.866 -8.000 236 1HG2 THR 39 1HG2 THR 39 4.654 -11.269 -7.696 237 2HG2 THR 39 2HG2 THR 39 5.469 -9.988 -6.767 238 3HG2 THR 39 3HG2 THR 39 3.825 -10.503 -6.319 239 H CYS 40 H CYS 40 5.463 -7.417 -10.259 240 HA CYS 40 HA CYS 40 8.077 -8.357 -9.846 241 1HB CYS 40 1HB CYS 40 6.693 -6.831 -12.038 242 2HB CYS 40 2HB CYS 40 8.439 -6.984 -12.062 243 HG CYS 40 HG CYS 40 6.508 -9.566 -11.402 244 H ARG 41 H ARG 41 6.422 -5.182 -9.629 245 HA ARG 41 HA ARG 41 8.754 -3.667 -9.484 246 1HB ARG 41 1HB ARG 41 7.256 -1.941 -9.454 247 2HB ARG 41 2HB ARG 41 6.005 -3.161 -9.590 248 1HG ARG 41 1HG ARG 41 5.782 -3.282 -7.140 249 2HG ARG 41 2HG ARG 41 7.143 -2.199 -6.924 250 1HD ARG 41 1HD ARG 41 5.791 -0.470 -8.318 251 2HD ARG 41 2HD ARG 41 4.414 -1.534 -8.109 252 HE ARG 41 HE ARG 41 5.795 -0.894 -5.598 253 1HH1 ARG 41 2HH2 ARG 41 3.285 0.095 -7.858 254 2HH1 ARG 41 1HH2 ARG 41 2.418 1.028 -6.684 255 1HH2 ARG 41 2HH1 ARG 41 4.650 0.336 -4.049 256 2HH2 ARG 41 1HH1 ARG 41 3.199 1.166 -4.504 257 H ARG 42 H ARG 42 6.516 -5.033 -6.974 258 HA ARG 42 HA ARG 42 8.060 -3.998 -4.859 259 1HB ARG 42 1HB ARG 42 6.590 -5.752 -3.536 260 2HB ARG 42 2HB ARG 42 5.808 -4.363 -4.264 261 1HG ARG 42 1HG ARG 42 5.960 -6.415 -6.280 262 2HG ARG 42 2HG ARG 42 5.366 -7.169 -4.813 263 1HD ARG 42 1HD ARG 42 4.205 -4.591 -5.975 264 2HD ARG 42 2HD ARG 42 3.551 -6.183 -6.305 265 HE ARG 42 HE ARG 42 3.331 -4.687 -3.787 266 1HH1 ARG 42 2HH2 ARG 42 3.121 -7.853 -5.307 267 2HH1 ARG 42 1HH2 ARG 42 2.116 -8.524 -4.067 268 1HH2 ARG 42 2HH1 ARG 42 2.005 -5.571 -2.149 269 2HH2 ARG 42 1HH1 ARG 42 1.477 -7.217 -2.258 270 H GLN 43 H GLN 43 7.829 -7.105 -6.638 271 HA GLN 43 HA GLN 43 9.780 -8.262 -4.842 272 1HB GLN 43 1HB GLN 43 9.039 -10.336 -5.547 273 2HB GLN 43 2HB GLN 43 7.587 -9.403 -5.849 274 1HG GLN 43 1HG GLN 43 8.574 -8.994 -8.237 275 2HG GLN 43 2HG GLN 43 9.687 -10.294 -7.861 276 1HE2 GLN 43 2HE2 GLN 43 7.585 -10.139 -9.864 277 2HE2 GLN 43 1HE2 GLN 43 6.499 -11.459 -9.587 278 H ASP 44 H ASP 44 10.112 -6.066 -7.092 279 HA ASP 44 HA ASP 44 11.388 -5.686 -8.862 280 1HB ASP 44 1HB ASP 44 13.881 -6.198 -8.256 281 2HB ASP 44 2HB ASP 44 12.978 -5.104 -7.227 282 H PHE 45 H PHE 45 10.231 -7.581 -10.080 283 HA PHE 45 HA PHE 45 12.252 -9.595 -10.768 284 1HB PHE 45 1HB PHE 45 9.419 -9.755 -9.835 285 2HB PHE 45 2HB PHE 45 9.685 -10.657 -11.314 286 HD1 PHE 45 HD1 PHE 45 9.389 -12.838 -10.430 287 HD2 PHE 45 HD2 PHE 45 12.216 -10.215 -8.659 288 HE1 PHE 45 HE1 PHE 45 10.326 -14.747 -9.098 289 HE2 PHE 45 HE2 PHE 45 13.153 -12.124 -7.327 290 HZ PHE 45 HZ PHE 45 12.197 -14.368 -7.562 291 H ASN 46 H ASN 46 11.986 -10.499 -12.997 292 HA ASN 46 HA ASN 46 10.694 -8.522 -14.709 293 1HB ASN 46 1HB ASN 46 13.453 -9.505 -14.657 294 2HB ASN 46 2HB ASN 46 12.718 -9.888 -16.201 295 1HD2 ASN 46 2HD2 ASN 46 13.095 -7.263 -13.842 296 2HD2 ASN 46 1HD2 ASN 46 13.184 -5.954 -14.973 297 HA PRO 47 HA PRO 47 8.681 -12.087 -16.304 298 1HB PRO 47 1HB PRO 47 7.607 -11.056 -18.595 299 2HB PRO 47 2HB PRO 47 6.877 -10.846 -17.015 300 1HG PRO 47 1HG PRO 47 8.384 -8.886 -18.636 301 2HG PRO 47 2HG PRO 47 7.304 -8.595 -17.287 302 1HD PRO 47 1HD PRO 47 10.171 -8.520 -17.236 303 2HD PRO 47 2HD PRO 47 9.093 -8.345 -15.865 304 H SER 48 H SER 48 10.853 -10.331 -18.390 305 HA SER 48 HA SER 48 11.044 -12.341 -20.299 306 1HB SER 48 1HB SER 48 12.656 -10.994 -21.275 307 2HB SER 48 2HB SER 48 11.883 -9.814 -20.236 308 HG SER 48 HG SER 48 13.583 -9.869 -18.808 309 H GLU 49 H GLU 49 11.939 -12.344 -17.029 310 HA GLU 49 HA GLU 49 13.921 -14.415 -17.571 311 1HB GLU 49 1HB GLU 49 13.904 -12.321 -15.359 312 2HB GLU 49 2HB GLU 49 14.930 -13.741 -15.312 313 1HG GLU 49 1HG GLU 49 15.323 -12.681 -17.905 314 2HG GLU 49 2HG GLU 49 15.250 -11.270 -16.868 315 H TYR 50 H TYR 50 10.817 -13.775 -16.558 316 HA TYR 50 HA TYR 50 10.750 -16.250 -15.022 317 1HB TYR 50 1HB TYR 50 9.760 -13.447 -14.230 318 2HB TYR 50 2HB TYR 50 9.148 -14.887 -13.441 319 HD1 TYR 50 HD1 TYR 50 11.505 -16.547 -13.027 320 HD2 TYR 50 HD2 TYR 50 11.098 -12.299 -12.716 321 HE1 TYR 50 HE1 TYR 50 13.453 -16.472 -11.394 322 HE2 TYR 50 HE2 TYR 50 13.047 -12.239 -11.084 323 HH TYR 50 HH TYR 50 15.016 -13.614 -10.584 324 H ASP 51 H ASP 51 8.866 -17.437 -15.337 325 HA ASP 51 HA ASP 51 6.816 -16.081 -16.898 326 1HB ASP 51 1HB ASP 51 8.321 -18.612 -17.461 327 2HB ASP 51 2HB ASP 51 6.597 -18.669 -17.771 328 H LEU 52 H LEU 52 4.624 -16.894 -16.463 329 HA LEU 52 HA LEU 52 4.488 -18.716 -14.162 330 1HB LEU 52 1HB LEU 52 2.562 -16.458 -14.663 331 2HB LEU 52 2HB LEU 52 2.733 -17.447 -13.226 332 HG LEU 52 HG LEU 52 5.079 -16.420 -12.994 333 1HD1 LEU 52 1HD1 LEU 52 4.772 -13.937 -14.070 334 2HD1 LEU 52 2HD1 LEU 52 5.727 -15.251 -14.797 335 3HD1 LEU 52 3HD1 LEU 52 4.058 -14.959 -15.341 336 1HD2 LEU 52 1HD2 LEU 52 2.496 -15.546 -12.165 337 2HD2 LEU 52 2HD2 LEU 52 4.061 -15.357 -11.339 338 3HD2 LEU 52 3HD2 LEU 52 3.498 -14.109 -12.477 339 H LYS 53 H LYS 53 3.083 -20.429 -14.332 340 HA LYS 53 HA LYS 53 1.079 -20.370 -16.416 341 1HB LYS 53 1HB LYS 53 2.950 -21.149 -17.701 342 2HB LYS 53 2HB LYS 53 3.414 -22.296 -16.460 343 1HG LYS 53 1HG LYS 53 0.903 -23.187 -16.828 344 2HG LYS 53 2HG LYS 53 1.098 -22.419 -18.391 345 1HD LYS 53 1HD LYS 53 2.819 -24.632 -17.192 346 2HD LYS 53 2HD LYS 53 1.806 -24.730 -18.618 347 1HE LYS 53 1HE LYS 53 3.741 -22.535 -18.858 348 2HE LYS 53 2HE LYS 53 4.554 -24.053 -18.535 349 1HZ LYS 53 1HZ LYS 53 3.581 -23.245 -20.923 350 2HZ LYS 53 2HZ LYS 53 4.061 -24.761 -20.552 351 3HZ LYS 53 3HZ LYS 53 2.484 -24.353 -20.438 352 H PHE 54 H PHE 54 -0.715 -21.592 -15.873 353 HA PHE 54 HA PHE 54 -0.448 -23.082 -13.356 354 1HB PHE 54 1HB PHE 54 -2.010 -21.430 -12.799 355 2HB PHE 54 2HB PHE 54 -2.326 -21.049 -14.480 356 HD1 PHE 54 HD1 PHE 54 -2.928 -23.907 -12.140 357 HD2 PHE 54 HD2 PHE 54 -4.474 -21.413 -15.206 358 HE1 PHE 54 HE1 PHE 54 -5.134 -25.096 -11.995 359 HE2 PHE 54 HE2 PHE 54 -6.680 -22.602 -15.061 360 HZ PHE 54 HZ PHE 54 -6.983 -24.430 -13.457 361 H GLN 55 H GLN 55 -0.532 -25.252 -13.684 362 HA GLN 55 HA GLN 55 -1.046 -27.193 -14.510 363 1HB GLN 55 1HB GLN 55 -3.669 -25.733 -14.923 364 2HB GLN 55 2HB GLN 55 -3.502 -27.398 -15.442 365 1HG GLN 55 1HG GLN 55 -2.482 -26.864 -12.694 366 2HG GLN 55 2HG GLN 55 -4.205 -26.610 -12.886 367 1HE2 GLN 55 2HE2 GLN 55 -1.614 -28.870 -12.793 368 2HE2 GLN 55 1HE2 GLN 55 -2.528 -30.337 -12.902 369 H ARG 56 H ARG 56 -3.306 -26.073 -16.959 370 HA ARG 56 HA ARG 56 -1.233 -26.590 -18.933 371 1HB ARG 56 1HB ARG 56 -4.256 -26.987 -18.984 372 2HB ARG 56 2HB ARG 56 -3.318 -26.983 -20.464 373 1HG ARG 56 1HG ARG 56 -2.096 -28.701 -18.406 374 2HG ARG 56 2HG ARG 56 -3.743 -29.185 -18.759 375 1HD ARG 56 1HD ARG 56 -2.891 -30.276 -20.570 376 2HD ARG 56 2HD ARG 56 -2.711 -28.697 -21.309 377 HE ARG 56 HE ARG 56 -0.420 -28.915 -19.780 378 1HH1 ARG 56 2HH2 ARG 56 -1.920 -30.985 -22.198 379 2HH1 ARG 56 1HH2 ARG 56 -0.419 -31.663 -22.734 380 1HH2 ARG 56 2HH1 ARG 56 1.561 -29.809 -20.486 381 2HH2 ARG 56 1HH1 ARG 56 1.575 -30.990 -21.753 382 H THR 57 H THR 57 -2.227 -24.013 -17.417 383 HA THR 57 HA THR 57 -2.725 -22.421 -19.847 384 HB THR 57 HB THR 57 -3.771 -22.184 -16.987 385 HG1 THR 57 HG1 THR 57 -5.612 -22.776 -18.109 386 1HG2 THR 57 1HG2 THR 57 -4.639 -20.245 -19.094 387 2HG2 THR 57 2HG2 THR 57 -4.430 -19.993 -17.344 388 3HG2 THR 57 3HG2 THR 57 -3.015 -19.959 -18.424 389 H VAL 58 H VAL 58 -1.365 -20.776 -20.327 390 HA VAL 58 HA VAL 58 0.958 -20.551 -18.593 391 HB VAL 58 HB VAL 58 1.961 -19.406 -20.485 392 1HG1 VAL 58 1HG1 VAL 58 1.981 -21.266 -22.084 393 2HG1 VAL 58 2HG1 VAL 58 2.034 -21.863 -20.408 394 3HG1 VAL 58 3HG1 VAL 58 0.515 -21.940 -21.333 395 1HG2 VAL 58 1HG2 VAL 58 -0.146 -18.275 -21.255 396 2HG2 VAL 58 2HG2 VAL 58 0.821 -19.002 -22.560 397 3HG2 VAL 58 3HG2 VAL 58 -0.648 -19.822 -21.977 398 H LEU 59 H LEU 59 1.590 -18.644 -17.556 399 HA LEU 59 HA LEU 59 -0.390 -16.477 -17.695 400 1HB LEU 59 1HB LEU 59 0.942 -17.777 -15.346 401 2HB LEU 59 2HB LEU 59 0.450 -16.098 -15.256 402 HG LEU 59 HG LEU 59 -1.201 -17.673 -14.295 403 1HD1 LEU 59 1HD1 LEU 59 -1.661 -15.478 -15.987 404 2HD1 LEU 59 2HD1 LEU 59 -2.878 -16.699 -16.431 405 3HD1 LEU 59 3HD1 LEU 59 -2.746 -16.146 -14.744 406 1HD2 LEU 59 1HD2 LEU 59 -1.941 -18.576 -17.060 407 2HD2 LEU 59 2HD2 LEU 59 -0.671 -19.427 -16.149 408 3HD2 LEU 59 3HD2 LEU 59 -2.317 -19.309 -15.482 409 H ASP 60 H ASP 60 0.426 -14.635 -18.522 410 HA ASP 60 HA ASP 60 3.198 -14.054 -17.917 411 1HB ASP 60 1HB ASP 60 2.659 -15.103 -20.332 412 2HB ASP 60 2HB ASP 60 2.157 -13.464 -20.691 413 H LEU 61 H LEU 61 3.076 -11.739 -19.877 414 HA LEU 61 HA LEU 61 1.469 -9.985 -18.212 415 1HB LEU 61 1HB LEU 61 3.355 -9.252 -20.448 416 2HB LEU 61 2HB LEU 61 2.707 -8.202 -19.203 417 HG LEU 61 HG LEU 61 4.431 -10.561 -18.470 418 1HD1 LEU 61 1HD1 LEU 61 5.868 -8.023 -18.611 419 2HD1 LEU 61 2HD1 LEU 61 6.337 -9.645 -19.175 420 3HD1 LEU 61 3HD1 LEU 61 5.326 -8.602 -20.204 421 1HD2 LEU 61 1HD2 LEU 61 4.183 -7.883 -17.096 422 2HD2 LEU 61 2HD2 LEU 61 3.078 -9.240 -16.768 423 3HD2 LEU 61 3HD2 LEU 61 4.821 -9.414 -16.449 424 H SER 62 H SER 62 1.748 -11.170 -21.594 425 HA SER 62 HA SER 62 -0.471 -9.530 -22.365 426 1HB SER 62 1HB SER 62 -0.140 -10.640 -24.600 427 2HB SER 62 2HB SER 62 1.295 -9.837 -23.995 428 HG SER 62 HG SER 62 1.153 -12.337 -24.808 429 H LEU 63 H LEU 63 -1.106 -11.307 -20.223 430 HA LEU 63 HA LEU 63 -3.144 -12.899 -21.547 431 1HB LEU 63 1HB LEU 63 -1.265 -14.086 -19.501 432 2HB LEU 63 2HB LEU 63 -2.645 -14.879 -20.234 433 HG LEU 63 HG LEU 63 -0.283 -13.892 -21.845 434 1HD1 LEU 63 1HD1 LEU 63 0.387 -16.345 -21.868 435 2HD1 LEU 63 2HD1 LEU 63 0.696 -15.442 -20.365 436 3HD1 LEU 63 3HD1 LEU 63 -0.694 -16.548 -20.468 437 1HD2 LEU 63 1HD2 LEU 63 -2.834 -15.117 -22.489 438 2HD2 LEU 63 2HD2 LEU 63 -1.616 -14.378 -23.555 439 3HD2 LEU 63 3HD2 LEU 63 -1.468 -16.089 -23.086 440 H GLN 64 H GLN 64 -4.952 -11.961 -20.751 441 HA GLN 64 HA GLN 64 -4.859 -10.957 -18.052 442 1HB GLN 64 1HB GLN 64 -7.056 -10.778 -20.161 443 2HB GLN 64 2HB GLN 64 -7.065 -9.945 -18.619 444 1HG GLN 64 1HG GLN 64 -6.156 -8.257 -19.919 445 2HG GLN 64 2HG GLN 64 -4.670 -9.066 -19.465 446 1HE2 GLN 64 2HE2 GLN 64 -6.294 -7.762 -21.958 447 2HE2 GLN 64 1HE2 GLN 64 -5.638 -8.632 -23.304 448 H TRP 65 H TRP 65 -6.583 -11.496 -16.468 449 HA TRP 65 HA TRP 65 -6.950 -14.263 -16.261 450 1HB TRP 65 1HB TRP 65 -6.819 -12.921 -14.301 451 2HB TRP 65 2HB TRP 65 -8.161 -11.914 -14.807 452 HD1 TRP 65 HD1 TRP 65 -10.442 -13.950 -15.392 453 HE1 TRP 65 HE1 TRP 65 -11.530 -15.530 -13.579 454 HE3 TRP 65 HE3 TRP 65 -6.516 -13.822 -12.162 455 HZ2 TRP 65 HZ2 TRP 65 -10.646 -16.526 -11.055 456 HZ3 TRP 65 HZ3 TRP 65 -6.710 -15.126 -10.047 457 HH2 TRP 65 HH2 TRP 65 -8.685 -16.445 -9.471 458 H ARG 66 H ARG 66 -9.046 -11.532 -17.356 459 HA ARG 66 HA ARG 66 -11.377 -12.926 -17.576 460 1HB ARG 66 1HB ARG 66 -12.055 -11.167 -19.199 461 2HB ARG 66 2HB ARG 66 -11.190 -10.463 -17.847 462 1HG ARG 66 1HG ARG 66 -9.598 -9.629 -19.230 463 2HG ARG 66 2HG ARG 66 -9.262 -11.224 -19.874 464 1HD ARG 66 1HD ARG 66 -9.964 -9.934 -21.765 465 2HD ARG 66 2HD ARG 66 -11.349 -10.929 -21.364 466 HE ARG 66 HE ARG 66 -11.191 -8.181 -20.211 467 1HH1 ARG 66 2HH2 ARG 66 -12.738 -10.464 -22.396 468 2HH1 ARG 66 1HH2 ARG 66 -14.126 -9.463 -22.665 469 1HH2 ARG 66 2HH1 ARG 66 -13.022 -6.860 -20.564 470 2HH2 ARG 66 1HH1 ARG 66 -14.288 -7.399 -21.616 471 H PHE 67 H PHE 67 -8.425 -13.260 -19.370 472 HA PHE 67 HA PHE 67 -9.828 -14.589 -21.569 473 1HB PHE 67 1HB PHE 67 -7.067 -13.360 -21.086 474 2HB PHE 67 2HB PHE 67 -7.297 -14.470 -22.422 475 HD1 PHE 67 HD1 PHE 67 -9.969 -13.704 -23.399 476 HD2 PHE 67 HD2 PHE 67 -6.749 -11.281 -22.069 477 HE1 PHE 67 HE1 PHE 67 -10.801 -11.815 -24.826 478 HE2 PHE 67 HE2 PHE 67 -7.581 -9.392 -23.496 479 HZ PHE 67 HZ PHE 67 -9.597 -9.681 -24.858 480 H ALA 68 H ALA 68 -6.720 -14.984 -19.711 481 HA ALA 68 HA ALA 68 -6.418 -17.672 -20.302 482 1HB ALA 68 1HB ALA 68 -4.825 -17.649 -18.418 483 2HB ALA 68 2HB ALA 68 -4.650 -16.188 -19.420 484 3HB ALA 68 3HB ALA 68 -5.501 -16.100 -17.859 485 H ASN 69 H ASN 69 -8.697 -16.051 -18.237 486 HA ASN 69 HA ASN 69 -10.070 -16.725 -16.676 487 1HB ASN 69 1HB ASN 69 -11.349 -18.837 -17.246 488 2HB ASN 69 2HB ASN 69 -11.171 -17.755 -18.613 489 1HD2 ASN 69 2HD2 ASN 69 -9.572 -18.184 -20.202 490 2HD2 ASN 69 1HD2 ASN 69 -9.001 -19.791 -20.501 491 H LEU 70 H LEU 70 -8.756 -16.978 -14.774 492 HA LEU 70 HA LEU 70 -7.520 -19.598 -14.389 493 1HB LEU 70 1HB LEU 70 -7.182 -17.057 -12.794 494 2HB LEU 70 2HB LEU 70 -6.266 -18.539 -12.612 495 HG LEU 70 HG LEU 70 -4.749 -17.507 -13.896 496 1HD1 LEU 70 1HD1 LEU 70 -6.617 -17.921 -16.232 497 2HD1 LEU 70 2HD1 LEU 70 -4.841 -18.033 -16.187 498 3HD1 LEU 70 3HD1 LEU 70 -5.831 -19.272 -15.380 499 1HD2 LEU 70 1HD2 LEU 70 -5.272 -15.319 -13.966 500 2HD2 LEU 70 2HD2 LEU 70 -5.708 -15.683 -15.653 501 3HD2 LEU 70 3HD2 LEU 70 -6.971 -15.624 -14.400 502 HA PRO 71 HA PRO 71 -10.463 -20.726 -11.443 503 1HB PRO 71 1HB PRO 71 -9.034 -22.273 -9.702 504 2HB PRO 71 2HB PRO 71 -9.601 -22.853 -11.255 505 1HG PRO 71 1HG PRO 71 -6.863 -22.080 -10.452 506 2HG PRO 71 2HG PRO 71 -7.374 -23.043 -11.824 507 1HD PRO 71 1HD PRO 71 -6.532 -20.301 -11.869 508 2HD PRO 71 2HD PRO 71 -7.153 -21.229 -13.220 509 H ASN 72 H ASN 72 -11.089 -20.849 -9.039 510 HA ASN 72 HA ASN 72 -11.276 -18.466 -8.028 511 1HB ASN 72 1HB ASN 72 -10.817 -19.739 -5.662 512 2HB ASN 72 2HB ASN 72 -12.272 -20.003 -6.602 513 1HD2 ASN 72 2HD2 ASN 72 -12.620 -22.071 -5.982 514 2HD2 ASN 72 1HD2 ASN 72 -11.617 -23.415 -6.414 515 H ASN 73 H ASN 73 -8.940 -20.445 -6.148 516 HA ASN 73 HA ASN 73 -7.381 -18.247 -5.516 517 1HB ASN 73 1HB ASN 73 -7.484 -21.071 -4.889 518 2HB ASN 73 2HB ASN 73 -5.826 -20.686 -5.303 519 1HD2 ASN 73 2HD2 ASN 73 -4.573 -19.650 -3.905 520 2HD2 ASN 73 1HD2 ASN 73 -5.070 -18.980 -2.386 521 H ALA 74 H ALA 74 -7.735 -19.780 -8.469 522 HA ALA 74 HA ALA 74 -6.313 -20.351 -10.161 523 1HB ALA 74 1HB ALA 74 -7.029 -18.218 -10.825 524 2HB ALA 74 2HB ALA 74 -6.104 -17.400 -9.543 525 3HB ALA 74 3HB ALA 74 -5.258 -18.093 -10.947 526 H LYS 75 H LYS 75 -4.848 -21.870 -9.182 527 HA LYS 75 HA LYS 75 -2.455 -20.809 -7.969 528 1HB LYS 75 1HB LYS 75 -1.942 -23.073 -7.429 529 2HB LYS 75 2HB LYS 75 -3.647 -22.829 -7.106 530 1HG LYS 75 1HG LYS 75 -4.056 -24.633 -8.423 531 2HG LYS 75 2HG LYS 75 -3.612 -23.638 -9.796 532 1HD LYS 75 1HD LYS 75 -1.132 -24.307 -9.164 533 2HD LYS 75 2HD LYS 75 -1.887 -25.600 -8.253 534 1HE LYS 75 1HE LYS 75 -3.249 -25.816 -10.638 535 2HE LYS 75 2HE LYS 75 -1.704 -25.218 -11.211 536 1HZ LYS 75 1HZ LYS 75 -0.843 -27.045 -9.583 537 2HZ LYS 75 2HZ LYS 75 -2.307 -27.710 -9.870 538 3HZ LYS 75 3HZ LYS 75 -1.286 -27.417 -11.110 539 H LEU 76 H LEU 76 -0.666 -20.236 -9.073 540 HA LEU 76 HA LEU 76 -0.309 -21.465 -11.718 541 1HB LEU 76 1HB LEU 76 0.729 -18.730 -11.179 542 2HB LEU 76 2HB LEU 76 0.225 -19.470 -12.685 543 HG LEU 76 HG LEU 76 -1.864 -18.920 -10.612 544 1HD1 LEU 76 1HD1 LEU 76 -1.683 -16.708 -10.615 545 2HD1 LEU 76 2HD1 LEU 76 -0.109 -16.892 -11.426 546 3HD1 LEU 76 3HD1 LEU 76 -1.586 -16.660 -12.392 547 1HD2 LEU 76 1HD2 LEU 76 -2.848 -18.169 -13.050 548 2HD2 LEU 76 2HD2 LEU 76 -1.715 -19.467 -13.498 549 3HD2 LEU 76 3HD2 LEU 76 -3.016 -19.787 -12.327 550 H GLU 77 H GLU 77 1.943 -21.745 -12.393 551 HA GLU 77 HA GLU 77 3.628 -22.056 -10.039 552 1HB GLU 77 1HB GLU 77 3.957 -23.426 -12.740 553 2HB GLU 77 2HB GLU 77 4.783 -23.826 -11.248 554 1HG GLU 77 1HG GLU 77 2.179 -24.031 -10.410 555 2HG GLU 77 2HG GLU 77 1.985 -24.459 -12.099 556 H MET 78 H MET 78 5.767 -21.229 -10.024 557 HA MET 78 HA MET 78 6.173 -19.172 -12.010 558 1HB MET 78 1HB MET 78 6.561 -19.327 -9.242 559 2HB MET 78 2HB MET 78 8.192 -19.558 -9.842 560 1HG MET 78 1HG MET 78 7.454 -17.456 -11.417 561 2HG MET 78 2HG MET 78 6.419 -17.141 -10.038 562 1HE MET 78 1HE MET 78 10.838 -16.611 -10.495 563 2HE MET 78 2HE MET 78 9.633 -17.248 -11.641 564 3HE MET 78 3HE MET 78 9.575 -15.539 -11.146 565 H VAL 79 H VAL 79 7.860 -19.143 -13.505 566 HA VAL 79 HA VAL 79 9.934 -21.158 -13.262 567 HB VAL 79 HB VAL 79 7.849 -22.011 -14.558 568 1HG1 VAL 79 1HG1 VAL 79 9.151 -20.250 -16.663 569 2HG1 VAL 79 2HG1 VAL 79 7.902 -21.480 -16.974 570 3HG1 VAL 79 3HG1 VAL 79 7.520 -20.056 -15.978 571 1HG2 VAL 79 1HG2 VAL 79 10.350 -22.314 -16.175 572 2HG2 VAL 79 2HG2 VAL 79 10.374 -22.831 -14.471 573 3HG2 VAL 79 3HG2 VAL 79 9.200 -23.546 -15.602 574 HA PRO 80 HA PRO 80 12.092 -17.719 -14.785 575 1HB PRO 80 1HB PRO 80 14.563 -18.854 -15.058 576 2HB PRO 80 2HB PRO 80 13.949 -18.249 -13.532 577 1HG PRO 80 1HG PRO 80 14.228 -21.049 -14.437 578 2HG PRO 80 2HG PRO 80 14.030 -20.437 -12.807 579 1HD PRO 80 1HD PRO 80 12.017 -21.679 -14.430 580 2HD PRO 80 2HD PRO 80 11.792 -20.962 -12.847 581 H VAL 81 H VAL 81 12.267 -16.676 -16.683 582 HA VAL 81 HA VAL 81 13.448 -17.549 -18.909 583 HB VAL 81 HB VAL 81 11.926 -19.555 -18.656 584 1HG1 VAL 81 1HG1 VAL 81 9.930 -17.766 -18.263 585 2HG1 VAL 81 2HG1 VAL 81 9.728 -18.084 -20.003 586 3HG1 VAL 81 3HG1 VAL 81 9.670 -19.429 -18.839 587 1HG2 VAL 81 1HG2 VAL 81 11.163 -18.735 -21.307 588 2HG2 VAL 81 2HG2 VAL 81 12.803 -18.141 -20.952 589 3HG2 VAL 81 3HG2 VAL 81 12.434 -19.875 -20.803 590 H SER 82 H SER 82 11.368 -16.877 -20.901 591 HA SER 82 HA SER 82 10.721 -14.185 -20.000 592 1HB SER 82 1HB SER 82 11.577 -13.186 -21.960 593 2HB SER 82 2HB SER 82 12.801 -14.367 -21.539 594 HG SER 82 HG SER 82 11.273 -15.793 -23.059 595 H ARG 83 H ARG 83 9.360 -13.240 -22.231 596 HA ARG 83 HA ARG 83 6.935 -14.480 -21.979 597 1HB ARG 83 1HB ARG 83 8.138 -12.445 -23.831 598 2HB ARG 83 2HB ARG 83 6.651 -13.191 -24.380 599 1HG ARG 83 1HG ARG 83 5.416 -12.418 -22.482 600 2HG ARG 83 2HG ARG 83 6.867 -12.087 -21.558 601 1HD ARG 83 1HD ARG 83 6.361 -9.920 -22.232 602 2HD ARG 83 2HD ARG 83 7.375 -10.395 -23.580 603 HE ARG 83 HE ARG 83 4.435 -10.083 -23.615 604 1HH1 ARG 83 2HH2 ARG 83 7.306 -11.217 -25.306 605 2HH1 ARG 83 1HH2 ARG 83 6.544 -11.222 -26.861 606 1HH2 ARG 83 2HH1 ARG 83 3.430 -10.089 -25.667 607 2HH2 ARG 83 1HH1 ARG 83 4.324 -10.576 -27.068 608 H SER 84 H SER 84 6.719 -16.670 -22.492 609 HA SER 84 HA SER 84 8.123 -17.980 -24.426 610 1HB SER 84 1HB SER 84 6.083 -18.584 -22.570 611 2HB SER 84 2HB SER 84 5.414 -19.060 -24.118 612 HG SER 84 HG SER 84 6.549 -20.849 -23.411 613 H ARG 85 H ARG 85 7.907 -18.273 -26.653 614 HA ARG 85 HA ARG 85 5.802 -16.690 -27.858 615 1HB ARG 85 1HB ARG 85 8.545 -16.855 -28.388 616 2HB ARG 85 2HB ARG 85 7.860 -17.856 -29.653 617 1HG ARG 85 1HG ARG 85 6.231 -15.478 -29.411 618 2HG ARG 85 2HG ARG 85 7.909 -14.981 -29.490 619 1HD ARG 85 1HD ARG 85 6.822 -17.043 -31.443 620 2HD ARG 85 2HD ARG 85 6.587 -15.331 -31.737 621 HE ARG 85 HE ARG 85 9.298 -15.508 -31.189 622 1HH1 ARG 85 2HH2 ARG 85 7.156 -17.134 -33.457 623 2HH1 ARG 85 1HH2 ARG 85 8.393 -17.386 -34.643 624 1HH2 ARG 85 2HH1 ARG 85 10.931 -15.840 -32.752 625 2HH2 ARG 85 1HH1 ARG 85 10.555 -16.645 -34.239 Start of MODEL 14 1 H SER 10 H SER 10 -11.948 -12.598 -6.598 2 HA SER 10 HA SER 10 -11.182 -15.349 -7.139 3 1HB SER 10 1HB SER 10 -11.050 -12.780 -8.671 4 2HB SER 10 2HB SER 10 -9.716 -13.890 -8.917 5 HG SER 10 HG SER 10 -12.501 -14.250 -9.495 6 H ALA 11 H ALA 11 -8.866 -15.925 -7.092 7 HA ALA 11 HA ALA 11 -7.106 -14.005 -5.812 8 1HB ALA 11 1HB ALA 11 -7.905 -14.931 -3.820 9 2HB ALA 11 2HB ALA 11 -8.141 -16.541 -4.543 10 3HB ALA 11 3HB ALA 11 -6.499 -15.964 -4.172 11 H VAL 12 H VAL 12 -4.880 -14.476 -6.186 12 HA VAL 12 HA VAL 12 -4.472 -16.697 -8.069 13 HB VAL 12 HB VAL 12 -3.957 -13.853 -8.283 14 1HG1 VAL 12 1HG1 VAL 12 -1.711 -14.288 -7.579 15 2HG1 VAL 12 2HG1 VAL 12 -1.600 -15.732 -8.613 16 3HG1 VAL 12 3HG1 VAL 12 -1.686 -14.114 -9.350 17 1HG2 VAL 12 1HG2 VAL 12 -3.890 -14.322 -10.619 18 2HG2 VAL 12 2HG2 VAL 12 -3.511 -16.038 -10.335 19 3HG2 VAL 12 3HG2 VAL 12 -5.120 -15.401 -9.918 20 H SER 13 H SER 13 -2.453 -17.842 -7.901 21 HA SER 13 HA SER 13 -0.936 -17.203 -5.512 22 1HB SER 13 1HB SER 13 -2.444 -18.942 -4.761 23 2HB SER 13 2HB SER 13 -2.160 -19.904 -6.198 24 HG SER 13 HG SER 13 -0.880 -20.118 -3.895 25 H VAL 14 H VAL 14 1.293 -17.463 -5.796 26 HA VAL 14 HA VAL 14 2.099 -18.731 -8.324 27 HB VAL 14 HB VAL 14 3.839 -16.659 -7.143 28 1HG1 VAL 14 1HG1 VAL 14 3.003 -16.397 -9.939 29 2HG1 VAL 14 2HG1 VAL 14 4.631 -16.566 -9.239 30 3HG1 VAL 14 3HG1 VAL 14 3.642 -18.013 -9.554 31 1HG2 VAL 14 1HG2 VAL 14 1.170 -15.923 -8.392 32 2HG2 VAL 14 2HG2 VAL 14 1.680 -15.613 -6.715 33 3HG2 VAL 14 3HG2 VAL 14 2.503 -14.790 -8.062 34 H LEU 15 H LEU 15 3.212 -20.578 -7.987 35 HA LEU 15 HA LEU 15 4.541 -20.871 -5.396 36 1HB LEU 15 1HB LEU 15 4.236 -23.149 -5.567 37 2HB LEU 15 2HB LEU 15 2.747 -22.483 -6.208 38 HG LEU 15 HG LEU 15 4.123 -22.754 -8.516 39 1HD1 LEU 15 1HD1 LEU 15 5.654 -24.443 -8.586 40 2HD1 LEU 15 2HD1 LEU 15 5.975 -23.824 -6.948 41 3HD1 LEU 15 3HD1 LEU 15 4.973 -25.279 -7.169 42 1HD2 LEU 15 1HD2 LEU 15 2.049 -24.192 -7.109 43 2HD2 LEU 15 2HD2 LEU 15 2.233 -23.868 -8.849 44 3HD2 LEU 15 3HD2 LEU 15 3.006 -25.298 -8.125 45 H ALA 16 H ALA 16 6.636 -20.255 -5.417 46 HA ALA 16 HA ALA 16 8.108 -20.316 -7.889 47 1HB ALA 16 1HB ALA 16 9.408 -19.747 -5.254 48 2HB ALA 16 2HB ALA 16 9.559 -18.896 -6.810 49 3HB ALA 16 3HB ALA 16 8.125 -18.635 -5.789 50 HA PRO 17 HA PRO 17 9.718 -24.283 -7.133 51 1HB PRO 17 1HB PRO 17 11.477 -24.405 -9.221 52 2HB PRO 17 2HB PRO 17 9.770 -24.766 -9.384 53 1HG PRO 17 1HG PRO 17 11.246 -22.356 -10.252 54 2HG PRO 17 2HG PRO 17 9.669 -22.923 -10.767 55 1HD PRO 17 1HD PRO 17 10.211 -20.777 -8.942 56 2HD PRO 17 2HD PRO 17 8.636 -21.419 -9.368 57 H ASN 18 H ASN 18 11.328 -21.402 -6.767 58 HA ASN 18 HA ASN 18 13.854 -22.561 -6.202 59 1HB ASN 18 1HB ASN 18 14.515 -20.296 -5.588 60 2HB ASN 18 2HB ASN 18 13.478 -20.165 -6.994 61 1HD2 ASN 18 2HD2 ASN 18 12.106 -18.576 -6.891 62 2HD2 ASN 18 1HD2 ASN 18 11.292 -17.970 -5.487 63 H GLY 19 H GLY 19 10.962 -22.895 -4.684 64 1HA GLY 19 1HA GLY 19 10.680 -23.889 -2.605 65 2HA GLY 19 2HA GLY 19 12.192 -23.200 -2.047 66 H ARG 20 H ARG 20 10.183 -20.990 -3.846 67 HA ARG 20 HA ARG 20 9.396 -19.802 -1.308 68 1HB ARG 20 1HB ARG 20 10.410 -18.671 -3.892 69 2HB ARG 20 2HB ARG 20 9.131 -17.751 -3.125 70 1HG ARG 20 1HG ARG 20 11.623 -18.670 -1.624 71 2HG ARG 20 2HG ARG 20 11.531 -17.126 -2.447 72 1HD ARG 20 1HD ARG 20 10.368 -16.204 -0.724 73 2HD ARG 20 2HD ARG 20 9.155 -17.467 -0.800 74 HE ARG 20 HE ARG 20 11.653 -18.338 0.465 75 1HH1 ARG 20 2HH2 ARG 20 8.532 -16.803 0.998 76 2HH1 ARG 20 1HH2 ARG 20 8.486 -17.191 2.686 77 1HH2 ARG 20 2HH1 ARG 20 11.593 -18.850 2.691 78 2HH2 ARG 20 1HH1 ARG 20 10.239 -18.363 3.655 79 H ARG 21 H ARG 21 7.222 -20.035 -0.890 80 HA ARG 21 HA ARG 21 5.488 -20.218 -3.217 81 1HB ARG 21 1HB ARG 21 5.418 -21.460 -0.463 82 2HB ARG 21 2HB ARG 21 3.884 -21.144 -1.250 83 1HG ARG 21 1HG ARG 21 5.885 -22.418 -3.035 84 2HG ARG 21 2HG ARG 21 5.461 -23.403 -1.649 85 1HD ARG 21 1HD ARG 21 2.980 -22.898 -2.248 86 2HD ARG 21 2HD ARG 21 3.585 -22.281 -3.772 87 HE ARG 21 HE ARG 21 4.803 -24.748 -3.611 88 1HH1 ARG 21 2HH2 ARG 21 1.461 -23.697 -3.287 89 2HH1 ARG 21 1HH2 ARG 21 0.801 -25.189 -3.869 90 1HH2 ARG 21 2HH1 ARG 21 3.934 -26.717 -4.379 91 2HH2 ARG 21 1HH1 ARG 21 2.217 -26.919 -4.494 92 H HIS 22 H HIS 22 4.286 -18.385 -3.603 93 HA HIS 22 HA HIS 22 3.267 -16.951 -1.285 94 1HB HIS 22 1HB HIS 22 3.879 -14.790 -2.263 95 2HB HIS 22 2HB HIS 22 5.286 -15.757 -1.867 96 HD1 HIS 22 HD1 HIS 22 5.991 -17.361 -4.199 97 HD2 HIS 22 HD2 HIS 22 4.235 -13.580 -4.670 98 HE1 HIS 22 HE1 HIS 22 6.580 -16.588 -6.559 99 H THR 23 H THR 23 1.187 -16.123 -1.580 100 HA THR 23 HA THR 23 0.033 -16.604 -4.249 101 HB THR 23 HB THR 23 -1.931 -17.462 -3.158 102 HG1 THR 23 HG1 THR 23 -2.384 -16.360 -1.294 103 1HG2 THR 23 1HG2 THR 23 -1.131 -19.356 -2.069 104 2HG2 THR 23 2HG2 THR 23 0.422 -18.785 -2.724 105 3HG2 THR 23 3HG2 THR 23 -0.024 -18.415 -1.041 106 H VAL 24 H VAL 24 -0.960 -14.946 -5.245 107 HA VAL 24 HA VAL 24 -1.435 -12.563 -3.590 108 HB VAL 24 HB VAL 24 0.071 -11.551 -4.851 109 1HG1 VAL 24 1HG1 VAL 24 1.186 -13.609 -5.388 110 2HG1 VAL 24 2HG1 VAL 24 -0.004 -13.987 -6.657 111 3HG1 VAL 24 3HG1 VAL 24 1.119 -12.622 -6.868 112 1HG2 VAL 24 1HG2 VAL 24 -1.618 -12.105 -7.301 113 2HG2 VAL 24 2HG2 VAL 24 -2.101 -10.945 -6.041 114 3HG2 VAL 24 3HG2 VAL 24 -0.596 -10.689 -6.956 115 H LYS 25 H LYS 25 -3.450 -11.631 -3.735 116 HA LYS 25 HA LYS 25 -5.449 -13.168 -5.087 117 1HB LYS 25 1HB LYS 25 -7.011 -11.623 -4.022 118 2HB LYS 25 2HB LYS 25 -5.855 -12.249 -2.865 119 1HG LYS 25 1HG LYS 25 -4.769 -9.837 -4.065 120 2HG LYS 25 2HG LYS 25 -6.395 -9.507 -3.503 121 1HD LYS 25 1HD LYS 25 -5.863 -9.902 -1.264 122 2HD LYS 25 2HD LYS 25 -4.607 -11.062 -1.650 123 1HE LYS 25 1HE LYS 25 -3.345 -8.976 -2.684 124 2HE LYS 25 2HE LYS 25 -4.459 -8.032 -1.714 125 1HZ LYS 25 1HZ LYS 25 -3.612 -9.879 0.018 126 2HZ LYS 25 2HZ LYS 25 -2.265 -9.647 -0.875 127 3HZ LYS 25 3HZ LYS 25 -2.974 -8.382 -0.124 128 H VAL 26 H VAL 26 -6.290 -12.843 -7.085 129 HA VAL 26 HA VAL 26 -5.640 -10.277 -8.364 130 HB VAL 26 HB VAL 26 -5.372 -13.100 -9.305 131 1HG1 VAL 26 1HG1 VAL 26 -5.436 -12.425 -11.644 132 2HG1 VAL 26 2HG1 VAL 26 -6.996 -12.068 -10.865 133 3HG1 VAL 26 3HG1 VAL 26 -5.836 -10.754 -11.179 134 1HG2 VAL 26 1HG2 VAL 26 -3.735 -10.561 -9.572 135 2HG2 VAL 26 2HG2 VAL 26 -3.348 -12.021 -8.630 136 3HG2 VAL 26 3HG2 VAL 26 -3.340 -12.081 -10.409 137 H THR 27 H THR 27 -7.196 -9.846 -10.282 138 HA THR 27 HA THR 27 -9.897 -10.630 -9.406 139 HB THR 27 HB THR 27 -9.767 -8.256 -11.100 140 HG1 THR 27 HG1 THR 27 -8.193 -8.415 -8.625 141 1HG2 THR 27 1HG2 THR 27 -11.204 -9.127 -8.851 142 2HG2 THR 27 2HG2 THR 27 -10.153 -7.849 -8.195 143 3HG2 THR 27 3HG2 THR 27 -11.263 -7.486 -9.538 144 HA PRO 28 HA PRO 28 -10.562 -12.428 -13.242 145 1HB PRO 28 1HB PRO 28 -13.275 -12.217 -13.500 146 2HB PRO 28 2HB PRO 28 -12.498 -13.441 -12.515 147 1HG PRO 28 1HG PRO 28 -13.907 -10.989 -11.654 148 2HG PRO 28 2HG PRO 28 -13.506 -12.412 -10.714 149 1HD PRO 28 1HD PRO 28 -12.165 -9.877 -10.646 150 2HD PRO 28 2HD PRO 28 -11.695 -11.335 -9.794 151 H SER 29 H SER 29 -11.123 -9.161 -12.751 152 HA SER 29 HA SER 29 -11.408 -8.846 -15.637 153 1HB SER 29 1HB SER 29 -12.215 -6.460 -14.905 154 2HB SER 29 2HB SER 29 -13.319 -7.814 -14.761 155 HG SER 29 HG SER 29 -13.022 -7.886 -12.543 156 H THR 30 H THR 30 -9.204 -8.786 -13.124 157 HA THR 30 HA THR 30 -7.795 -6.389 -13.982 158 HB THR 30 HB THR 30 -7.423 -8.463 -11.765 159 HG1 THR 30 HG1 THR 30 -9.082 -6.580 -11.887 160 1HG2 THR 30 1HG2 THR 30 -5.764 -6.664 -10.903 161 2HG2 THR 30 2HG2 THR 30 -5.169 -7.710 -12.215 162 3HG2 THR 30 3HG2 THR 30 -5.723 -6.057 -12.575 163 H VAL 31 H VAL 31 -5.886 -6.313 -15.107 164 HA VAL 31 HA VAL 31 -5.342 -8.633 -16.694 165 HB VAL 31 HB VAL 31 -3.580 -7.106 -17.651 166 1HG1 VAL 31 1HG1 VAL 31 -5.817 -5.383 -18.063 167 2HG1 VAL 31 2HG1 VAL 31 -5.201 -6.677 -19.118 168 3HG1 VAL 31 3HG1 VAL 31 -6.430 -7.044 -17.884 169 1HG2 VAL 31 1HG2 VAL 31 -4.910 -4.874 -16.125 170 2HG2 VAL 31 2HG2 VAL 31 -3.517 -5.740 -15.433 171 3HG2 VAL 31 3HG2 VAL 31 -3.352 -4.885 -16.986 172 H LEU 32 H LEU 32 -3.835 -10.191 -16.331 173 HA LEU 32 HA LEU 32 -2.548 -10.370 -13.883 174 1HB LEU 32 1HB LEU 32 -2.101 -11.748 -16.527 175 2HB LEU 32 2HB LEU 32 -1.206 -12.164 -15.078 176 HG LEU 32 HG LEU 32 -4.192 -12.151 -14.915 177 1HD1 LEU 32 1HD1 LEU 32 -3.685 -14.747 -15.638 178 2HD1 LEU 32 2HD1 LEU 32 -4.398 -13.499 -16.688 179 3HD1 LEU 32 3HD1 LEU 32 -2.652 -13.833 -16.763 180 1HD2 LEU 32 1HD2 LEU 32 -2.159 -14.078 -13.770 181 2HD2 LEU 32 2HD2 LEU 32 -2.681 -12.583 -12.957 182 3HD2 LEU 32 3HD2 LEU 32 -3.862 -13.870 -13.298 183 H LEU 33 H LEU 33 -1.767 -8.541 -16.748 184 HA LEU 33 HA LEU 33 1.022 -8.450 -16.428 185 1HB LEU 33 1HB LEU 33 0.945 -6.617 -17.964 186 2HB LEU 33 2HB LEU 33 -0.142 -7.886 -18.492 187 HG LEU 33 HG LEU 33 -1.870 -6.316 -17.086 188 1HD1 LEU 33 1HD1 LEU 33 -0.018 -4.347 -18.445 189 2HD1 LEU 33 2HD1 LEU 33 -1.465 -4.004 -17.466 190 3HD1 LEU 33 3HD1 LEU 33 -0.005 -4.670 -16.695 191 1HD2 LEU 33 1HD2 LEU 33 -2.253 -7.215 -19.312 192 2HD2 LEU 33 2HD2 LEU 33 -2.630 -5.476 -19.269 193 3HD2 LEU 33 3HD2 LEU 33 -1.112 -6.039 -20.008 194 H GLN 34 H GLN 34 -1.684 -6.421 -15.167 195 HA GLN 34 HA GLN 34 0.025 -4.583 -13.935 196 1HB GLN 34 1HB GLN 34 -1.955 -3.659 -12.971 197 2HB GLN 34 2HB GLN 34 -2.442 -4.277 -14.536 198 1HG GLN 34 1HG GLN 34 -4.026 -5.521 -13.497 199 2HG GLN 34 2HG GLN 34 -2.748 -6.476 -12.774 200 1HE2 GLN 34 2HE2 GLN 34 -2.111 -6.136 -10.683 201 2HE2 GLN 34 1HE2 GLN 34 -2.979 -5.152 -9.553 202 H VAL 35 H VAL 35 -1.496 -7.664 -12.910 203 HA VAL 35 HA VAL 35 -0.770 -7.364 -10.177 204 HB VAL 35 HB VAL 35 -1.838 -9.346 -9.872 205 1HG1 VAL 35 1HG1 VAL 35 -3.805 -9.351 -11.129 206 2HG1 VAL 35 2HG1 VAL 35 -3.201 -7.690 -11.339 207 3HG1 VAL 35 3HG1 VAL 35 -2.967 -8.892 -12.631 208 1HG2 VAL 35 1HG2 VAL 35 -0.146 -10.652 -11.172 209 2HG2 VAL 35 2HG2 VAL 35 -1.811 -11.260 -11.338 210 3HG2 VAL 35 3HG2 VAL 35 -1.077 -10.305 -12.649 211 H LEU 36 H LEU 36 0.560 -9.214 -12.998 212 HA LEU 36 HA LEU 36 2.687 -10.336 -11.577 213 1HB LEU 36 1HB LEU 36 1.888 -11.208 -13.682 214 2HB LEU 36 2HB LEU 36 2.330 -9.729 -14.513 215 HG LEU 36 HG LEU 36 4.363 -11.487 -13.126 216 1HD1 LEU 36 1HD1 LEU 36 4.756 -12.704 -15.072 217 2HD1 LEU 36 2HD1 LEU 36 2.980 -12.631 -14.979 218 3HD1 LEU 36 3HD1 LEU 36 3.857 -11.556 -16.093 219 1HD2 LEU 36 1HD2 LEU 36 5.372 -9.433 -13.458 220 2HD2 LEU 36 2HD2 LEU 36 5.819 -10.316 -14.938 221 3HD2 LEU 36 3HD2 LEU 36 4.496 -9.125 -14.977 222 H GLU 37 H GLU 37 2.326 -7.244 -13.391 223 HA GLU 37 HA GLU 37 5.014 -6.544 -13.170 224 1HB GLU 37 1HB GLU 37 2.484 -4.913 -13.612 225 2HB GLU 37 2HB GLU 37 4.076 -4.182 -13.617 226 1HG GLU 37 1HG GLU 37 3.677 -6.629 -15.327 227 2HG GLU 37 2HG GLU 37 2.924 -5.142 -15.866 228 H ASP 38 H ASP 38 2.147 -6.045 -11.071 229 HA ASP 38 HA ASP 38 3.222 -4.155 -9.401 230 1HB ASP 38 1HB ASP 38 1.016 -6.114 -9.355 231 2HB ASP 38 2HB ASP 38 1.659 -5.820 -7.752 232 H THR 39 H THR 39 3.086 -7.787 -9.086 233 HA THR 39 HA THR 39 4.610 -7.916 -6.730 234 HB THR 39 HB THR 39 3.031 -9.663 -7.788 235 HG1 THR 39 HG1 THR 39 5.819 -10.263 -7.085 236 1HG2 THR 39 1HG2 THR 39 5.530 -9.992 -9.507 237 2HG2 THR 39 2HG2 THR 39 4.451 -11.366 -9.167 238 3HG2 THR 39 3HG2 THR 39 3.832 -9.943 -10.038 239 H CYS 40 H CYS 40 5.508 -7.728 -10.174 240 HA CYS 40 HA CYS 40 8.175 -8.511 -9.782 241 1HB CYS 40 1HB CYS 40 6.651 -7.148 -11.977 242 2HB CYS 40 2HB CYS 40 8.402 -7.105 -12.022 243 HG CYS 40 HG CYS 40 8.518 -9.181 -13.162 244 H ARG 41 H ARG 41 6.348 -5.431 -9.585 245 HA ARG 41 HA ARG 41 8.578 -3.776 -9.511 246 1HB ARG 41 1HB ARG 41 6.978 -2.145 -9.436 247 2HB ARG 41 2HB ARG 41 5.805 -3.443 -9.537 248 1HG ARG 41 1HG ARG 41 5.643 -3.567 -7.086 249 2HG ARG 41 2HG ARG 41 6.951 -2.416 -6.899 250 1HD ARG 41 1HD ARG 41 4.722 -1.434 -8.610 251 2HD ARG 41 2HD ARG 41 4.255 -1.758 -6.953 252 HE ARG 41 HE ARG 41 6.100 0.334 -7.877 253 1HH1 ARG 41 2HH2 ARG 41 5.014 -1.572 -5.125 254 2HH1 ARG 41 1HH2 ARG 41 5.577 -0.431 -3.950 255 1HH2 ARG 41 2HH1 ARG 41 6.843 1.840 -6.327 256 2HH2 ARG 41 1HH1 ARG 41 6.624 1.523 -4.638 257 H ARG 42 H ARG 42 6.514 -5.254 -6.918 258 HA ARG 42 HA ARG 42 8.062 -4.106 -4.864 259 1HB ARG 42 1HB ARG 42 6.743 -5.944 -3.484 260 2HB ARG 42 2HB ARG 42 5.865 -4.594 -4.176 261 1HG ARG 42 1HG ARG 42 6.049 -6.637 -6.203 262 2HG ARG 42 2HG ARG 42 5.537 -7.414 -4.717 263 1HD ARG 42 1HD ARG 42 4.223 -4.867 -5.767 264 2HD ARG 42 2HD ARG 42 3.659 -6.466 -6.208 265 HE ARG 42 HE ARG 42 3.875 -6.381 -3.367 266 1HH1 ARG 42 2HH2 ARG 42 1.954 -4.937 -5.937 267 2HH1 ARG 42 1HH2 ARG 42 0.558 -4.706 -4.938 268 1HH2 ARG 42 2HH1 ARG 42 2.033 -6.078 -2.049 269 2HH2 ARG 42 1HH1 ARG 42 0.603 -5.360 -2.712 270 H GLN 43 H GLN 43 7.954 -7.240 -6.608 271 HA GLN 43 HA GLN 43 10.020 -8.270 -4.866 272 1HB GLN 43 1HB GLN 43 9.379 -10.385 -5.542 273 2HB GLN 43 2HB GLN 43 7.870 -9.538 -5.822 274 1HG GLN 43 1HG GLN 43 8.715 -9.109 -8.230 275 2HG GLN 43 2HG GLN 43 9.998 -10.251 -7.885 276 1HE2 GLN 43 2HE2 GLN 43 7.734 -10.329 -9.771 277 2HE2 GLN 43 1HE2 GLN 43 6.868 -11.796 -9.457 278 H ASP 44 H ASP 44 10.126 -6.085 -7.177 279 HA ASP 44 HA ASP 44 11.349 -5.624 -8.955 280 1HB ASP 44 1HB ASP 44 13.868 -5.945 -8.444 281 2HB ASP 44 2HB ASP 44 12.934 -4.992 -7.308 282 H PHE 45 H PHE 45 10.246 -7.580 -10.135 283 HA PHE 45 HA PHE 45 12.343 -9.487 -10.895 284 1HB PHE 45 1HB PHE 45 9.540 -9.781 -9.897 285 2HB PHE 45 2HB PHE 45 9.821 -10.671 -11.380 286 HD1 PHE 45 HD1 PHE 45 12.386 -10.101 -8.784 287 HD2 PHE 45 HD2 PHE 45 9.645 -12.860 -10.481 288 HE1 PHE 45 HE1 PHE 45 13.442 -11.959 -7.468 289 HE2 PHE 45 HE2 PHE 45 10.700 -14.719 -9.164 290 HZ PHE 45 HZ PHE 45 12.586 -14.246 -7.674 291 H ASN 46 H ASN 46 12.061 -10.393 -13.121 292 HA ASN 46 HA ASN 46 10.656 -8.456 -14.789 293 1HB ASN 46 1HB ASN 46 13.335 -9.861 -15.155 294 2HB ASN 46 2HB ASN 46 12.460 -9.261 -16.549 295 1HD2 ASN 46 2HD2 ASN 46 11.744 -6.987 -16.481 296 2HD2 ASN 46 1HD2 ASN 46 12.782 -5.800 -15.765 297 HA PRO 47 HA PRO 47 8.679 -12.044 -16.371 298 1HB PRO 47 1HB PRO 47 7.628 -11.062 -18.694 299 2HB PRO 47 2HB PRO 47 6.883 -10.818 -17.127 300 1HG PRO 47 1HG PRO 47 8.406 -8.894 -18.775 301 2HG PRO 47 2HG PRO 47 7.313 -8.574 -17.443 302 1HD PRO 47 1HD PRO 47 10.179 -8.498 -17.366 303 2HD PRO 47 2HD PRO 47 9.088 -8.293 -16.010 304 H SER 48 H SER 48 10.838 -10.325 -18.512 305 HA SER 48 HA SER 48 11.056 -12.377 -20.360 306 1HB SER 48 1HB SER 48 11.847 -10.245 -21.031 307 2HB SER 48 2HB SER 48 12.804 -10.032 -19.579 308 HG SER 48 HG SER 48 14.133 -10.539 -21.431 309 H GLU 49 H GLU 49 11.926 -12.314 -17.085 310 HA GLU 49 HA GLU 49 13.914 -14.394 -17.569 311 1HB GLU 49 1HB GLU 49 13.870 -12.315 -15.339 312 2HB GLU 49 2HB GLU 49 14.960 -13.687 -15.373 313 1HG GLU 49 1HG GLU 49 15.791 -12.884 -17.643 314 2HG GLU 49 2HG GLU 49 14.802 -11.451 -17.447 315 H TYR 50 H TYR 50 10.794 -13.813 -16.678 316 HA TYR 50 HA TYR 50 10.726 -16.227 -15.058 317 1HB TYR 50 1HB TYR 50 9.723 -13.408 -14.351 318 2HB TYR 50 2HB TYR 50 9.059 -14.824 -13.561 319 HD1 TYR 50 HD1 TYR 50 11.473 -16.493 -13.144 320 HD2 TYR 50 HD2 TYR 50 10.920 -12.275 -12.693 321 HE1 TYR 50 HE1 TYR 50 13.359 -16.421 -11.441 322 HE2 TYR 50 HE2 TYR 50 12.808 -12.217 -10.991 323 HH TYR 50 HH TYR 50 14.029 -13.514 -9.617 324 H ASP 51 H ASP 51 8.861 -17.442 -15.381 325 HA ASP 51 HA ASP 51 6.827 -16.147 -17.013 326 1HB ASP 51 1HB ASP 51 8.372 -18.670 -17.489 327 2HB ASP 51 2HB ASP 51 6.655 -18.759 -17.826 328 H LEU 52 H LEU 52 4.635 -16.985 -16.609 329 HA LEU 52 HA LEU 52 4.476 -18.741 -14.259 330 1HB LEU 52 1HB LEU 52 2.510 -16.549 -14.870 331 2HB LEU 52 2HB LEU 52 2.691 -17.475 -13.393 332 HG LEU 52 HG LEU 52 4.754 -15.512 -14.427 333 1HD1 LEU 52 1HD1 LEU 52 2.300 -14.771 -13.569 334 2HD1 LEU 52 2HD1 LEU 52 3.172 -14.841 -12.019 335 3HD1 LEU 52 3HD1 LEU 52 3.775 -13.803 -13.333 336 1HD2 LEU 52 1HD2 LEU 52 4.866 -15.976 -11.604 337 2HD2 LEU 52 2HD2 LEU 52 4.903 -17.540 -12.452 338 3HD2 LEU 52 3HD2 LEU 52 6.102 -16.284 -12.847 339 H LYS 53 H LYS 53 3.127 -20.495 -14.421 340 HA LYS 53 HA LYS 53 1.183 -20.535 -16.570 341 1HB LYS 53 1HB LYS 53 2.881 -21.425 -17.869 342 2HB LYS 53 2HB LYS 53 3.663 -22.219 -16.517 343 1HG LYS 53 1HG LYS 53 1.933 -23.926 -16.402 344 2HG LYS 53 2HG LYS 53 0.904 -23.049 -17.518 345 1HD LYS 53 1HD LYS 53 1.852 -24.612 -18.968 346 2HD LYS 53 2HD LYS 53 2.968 -23.278 -19.175 347 1HE LYS 53 1HE LYS 53 4.069 -24.580 -16.984 348 2HE LYS 53 2HE LYS 53 3.405 -25.925 -17.890 349 1HZ LYS 53 1HZ LYS 53 4.592 -24.361 -19.760 350 2HZ LYS 53 2HZ LYS 53 5.632 -24.305 -18.502 351 3HZ LYS 53 3HZ LYS 53 5.197 -25.745 -19.139 352 H PHE 54 H PHE 54 -0.568 -21.920 -16.139 353 HA PHE 54 HA PHE 54 -0.382 -23.351 -13.586 354 1HB PHE 54 1HB PHE 54 -1.834 -21.660 -12.894 355 2HB PHE 54 2HB PHE 54 -2.110 -21.125 -14.539 356 HD1 PHE 54 HD1 PHE 54 -2.919 -24.195 -12.557 357 HD2 PHE 54 HD2 PHE 54 -4.319 -21.148 -15.156 358 HE1 PHE 54 HE1 PHE 54 -5.217 -25.202 -12.499 359 HE2 PHE 54 HE2 PHE 54 -6.618 -22.155 -15.098 360 HZ PHE 54 HZ PHE 54 -7.039 -24.170 -13.771 361 H GLN 55 H GLN 55 -0.630 -25.494 -13.995 362 HA GLN 55 HA GLN 55 -1.333 -27.361 -14.851 363 1HB GLN 55 1HB GLN 55 -3.534 -26.663 -14.010 364 2HB GLN 55 2HB GLN 55 -3.849 -25.756 -15.477 365 1HG GLN 55 1HG GLN 55 -3.241 -28.253 -16.511 366 2HG GLN 55 2HG GLN 55 -4.005 -28.690 -14.995 367 1HE2 GLN 55 2HE2 GLN 55 -6.100 -28.910 -15.016 368 2HE2 GLN 55 1HE2 GLN 55 -7.227 -28.171 -16.106 369 H ARG 56 H ARG 56 -3.499 -26.118 -17.287 370 HA ARG 56 HA ARG 56 -1.427 -26.656 -19.255 371 1HB ARG 56 1HB ARG 56 -4.458 -26.982 -19.328 372 2HB ARG 56 2HB ARG 56 -3.511 -26.978 -20.803 373 1HG ARG 56 1HG ARG 56 -2.477 -28.767 -18.646 374 2HG ARG 56 2HG ARG 56 -4.033 -29.229 -19.306 375 1HD ARG 56 1HD ARG 56 -2.391 -30.340 -20.670 376 2HD ARG 56 2HD ARG 56 -2.997 -29.016 -21.645 377 HE ARG 56 HE ARG 56 -0.905 -27.945 -21.486 378 1HH1 ARG 56 2HH2 ARG 56 -1.060 -30.616 -19.201 379 2HH1 ARG 56 1HH2 ARG 56 0.627 -30.551 -18.814 380 1HH2 ARG 56 2HH1 ARG 56 1.321 -27.858 -20.976 381 2HH2 ARG 56 1HH1 ARG 56 1.991 -28.972 -19.831 382 H THR 57 H THR 57 -2.372 -24.076 -17.710 383 HA THR 57 HA THR 57 -2.786 -22.439 -20.126 384 HB THR 57 HB THR 57 -3.893 -22.169 -17.286 385 HG1 THR 57 HG1 THR 57 -5.765 -22.722 -18.424 386 1HG2 THR 57 1HG2 THR 57 -3.923 -19.907 -17.704 387 2HG2 THR 57 2HG2 THR 57 -3.450 -20.137 -19.404 388 3HG2 THR 57 3HG2 THR 57 -5.157 -20.294 -18.927 389 H VAL 58 H VAL 58 -1.325 -20.890 -20.568 390 HA VAL 58 HA VAL 58 0.914 -20.702 -18.735 391 HB VAL 58 HB VAL 58 1.968 -19.487 -20.595 392 1HG1 VAL 58 1HG1 VAL 58 2.163 -21.931 -20.447 393 2HG1 VAL 58 2HG1 VAL 58 0.682 -22.114 -21.417 394 3HG1 VAL 58 3HG1 VAL 58 2.136 -21.387 -22.142 395 1HG2 VAL 58 1HG2 VAL 58 -0.246 -18.541 -21.450 396 2HG2 VAL 58 2HG2 VAL 58 0.916 -19.098 -22.678 397 3HG2 VAL 58 3HG2 VAL 58 -0.485 -20.111 -22.253 398 H LEU 59 H LEU 59 1.546 -18.823 -17.649 399 HA LEU 59 HA LEU 59 -0.415 -16.639 -17.791 400 1HB LEU 59 1HB LEU 59 0.955 -17.947 -15.468 401 2HB LEU 59 2HB LEU 59 0.470 -16.266 -15.364 402 HG LEU 59 HG LEU 59 -1.245 -17.582 -14.368 403 1HD1 LEU 59 1HD1 LEU 59 -2.534 -17.072 -17.014 404 2HD1 LEU 59 2HD1 LEU 59 -3.074 -16.651 -15.371 405 3HD1 LEU 59 3HD1 LEU 59 -1.785 -15.705 -16.154 406 1HD2 LEU 59 1HD2 LEU 59 -2.410 -19.403 -15.489 407 2HD2 LEU 59 2HD2 LEU 59 -1.378 -19.203 -16.926 408 3HD2 LEU 59 3HD2 LEU 59 -0.665 -19.740 -15.386 409 H ASP 60 H ASP 60 0.381 -14.791 -18.624 410 HA ASP 60 HA ASP 60 3.163 -14.207 -18.068 411 1HB ASP 60 1HB ASP 60 2.570 -15.237 -20.481 412 2HB ASP 60 2HB ASP 60 2.065 -13.592 -20.814 413 H LEU 61 H LEU 61 3.021 -11.869 -19.980 414 HA LEU 61 HA LEU 61 1.423 -10.141 -18.280 415 1HB LEU 61 1HB LEU 61 3.176 -9.229 -20.535 416 2HB LEU 61 2HB LEU 61 2.714 -8.378 -19.074 417 HG LEU 61 HG LEU 61 4.449 -10.842 -18.953 418 1HD1 LEU 61 1HD1 LEU 61 6.311 -9.794 -19.624 419 2HD1 LEU 61 2HD1 LEU 61 5.198 -8.667 -20.435 420 3HD1 LEU 61 3HD1 LEU 61 5.860 -8.265 -18.832 421 1HD2 LEU 61 1HD2 LEU 61 4.463 -8.464 -17.099 422 2HD2 LEU 61 2HD2 LEU 61 3.299 -9.797 -16.910 423 3HD2 LEU 61 3HD2 LEU 61 5.046 -10.121 -16.811 424 H SER 62 H SER 62 1.700 -11.245 -21.694 425 HA SER 62 HA SER 62 -0.514 -9.596 -22.434 426 1HB SER 62 1HB SER 62 -0.201 -10.635 -24.678 427 2HB SER 62 2HB SER 62 1.286 -9.956 -24.049 428 HG SER 62 HG SER 62 1.240 -12.265 -25.020 429 H LEU 63 H LEU 63 -1.169 -11.368 -20.297 430 HA LEU 63 HA LEU 63 -3.236 -12.924 -21.615 431 1HB LEU 63 1HB LEU 63 -1.341 -14.149 -19.607 432 2HB LEU 63 2HB LEU 63 -2.756 -14.916 -20.299 433 HG LEU 63 HG LEU 63 -0.380 -13.996 -21.936 434 1HD1 LEU 63 1HD1 LEU 63 0.359 -16.313 -21.984 435 2HD1 LEU 63 2HD1 LEU 63 0.311 -15.706 -20.312 436 3HD1 LEU 63 3HD1 LEU 63 -0.976 -16.783 -20.905 437 1HD2 LEU 63 1HD2 LEU 63 -1.690 -14.395 -23.681 438 2HD2 LEU 63 2HD2 LEU 63 -1.770 -16.104 -23.188 439 3HD2 LEU 63 3HD2 LEU 63 -3.006 -14.955 -22.621 440 H GLN 64 H GLN 64 -5.030 -11.984 -20.794 441 HA GLN 64 HA GLN 64 -4.896 -11.035 -18.068 442 1HB GLN 64 1HB GLN 64 -6.986 -10.659 -20.257 443 2HB GLN 64 2HB GLN 64 -7.129 -9.984 -18.646 444 1HG GLN 64 1HG GLN 64 -6.193 -8.247 -20.035 445 2HG GLN 64 2HG GLN 64 -4.892 -8.818 -19.009 446 1HE2 GLN 64 2HE2 GLN 64 -3.543 -7.847 -20.650 447 2HE2 GLN 64 1HE2 GLN 64 -3.103 -8.745 -22.065 448 H TRP 65 H TRP 65 -6.714 -11.520 -16.542 449 HA TRP 65 HA TRP 65 -7.175 -14.278 -16.396 450 1HB TRP 65 1HB TRP 65 -7.049 -12.921 -14.422 451 2HB TRP 65 2HB TRP 65 -8.403 -11.936 -14.939 452 HD1 TRP 65 HD1 TRP 65 -10.588 -14.095 -15.622 453 HE1 TRP 65 HE1 TRP 65 -11.688 -15.682 -13.823 454 HE3 TRP 65 HE3 TRP 65 -6.825 -13.721 -12.223 455 HZ2 TRP 65 HZ2 TRP 65 -10.879 -16.582 -11.239 456 HZ3 TRP 65 HZ3 TRP 65 -7.059 -14.985 -10.088 457 HH2 TRP 65 HH2 TRP 65 -8.999 -16.379 -9.571 458 H ARG 66 H ARG 66 -9.164 -11.458 -17.472 459 HA ARG 66 HA ARG 66 -11.521 -12.785 -17.800 460 1HB ARG 66 1HB ARG 66 -12.114 -10.957 -19.376 461 2HB ARG 66 2HB ARG 66 -11.261 -10.318 -17.984 462 1HG ARG 66 1HG ARG 66 -9.513 -9.588 -19.254 463 2HG ARG 66 2HG ARG 66 -9.396 -11.108 -20.118 464 1HD ARG 66 1HD ARG 66 -10.152 -9.897 -21.912 465 2HD ARG 66 2HD ARG 66 -11.732 -10.118 -21.188 466 HE ARG 66 HE ARG 66 -10.262 -7.798 -20.143 467 1HH1 ARG 66 2HH2 ARG 66 -12.498 -8.952 -22.602 468 2HH1 ARG 66 1HH2 ARG 66 -13.157 -7.382 -22.921 469 1HH2 ARG 66 2HH1 ARG 66 -11.131 -5.727 -20.563 470 2HH2 ARG 66 1HH1 ARG 66 -12.375 -5.536 -21.754 471 H PHE 67 H PHE 67 -8.533 -13.223 -19.464 472 HA PHE 67 HA PHE 67 -9.920 -14.471 -21.730 473 1HB PHE 67 1HB PHE 67 -7.217 -13.131 -21.250 474 2HB PHE 67 2HB PHE 67 -7.365 -14.284 -22.562 475 HD1 PHE 67 HD1 PHE 67 -10.003 -13.711 -23.664 476 HD2 PHE 67 HD2 PHE 67 -7.045 -11.036 -22.214 477 HE1 PHE 67 HE1 PHE 67 -10.909 -11.903 -25.151 478 HE2 PHE 67 HE2 PHE 67 -7.951 -9.228 -23.701 479 HZ PHE 67 HZ PHE 67 -9.872 -9.683 -25.151 480 H ALA 68 H ALA 68 -6.829 -14.804 -19.828 481 HA ALA 68 HA ALA 68 -6.476 -17.495 -20.478 482 1HB ALA 68 1HB ALA 68 -5.023 -17.341 -18.294 483 2HB ALA 68 2HB ALA 68 -4.571 -16.374 -19.719 484 3HB ALA 68 3HB ALA 68 -5.435 -15.611 -18.362 485 H ASN 69 H ASN 69 -8.770 -15.925 -18.424 486 HA ASN 69 HA ASN 69 -10.092 -16.605 -16.821 487 1HB ASN 69 1HB ASN 69 -11.273 -18.806 -17.313 488 2HB ASN 69 2HB ASN 69 -11.198 -17.725 -18.690 489 1HD2 ASN 69 2HD2 ASN 69 -9.623 -18.073 -20.324 490 2HD2 ASN 69 1HD2 ASN 69 -8.975 -19.649 -20.635 491 H LEU 70 H LEU 70 -8.726 -16.750 -14.939 492 HA LEU 70 HA LEU 70 -7.371 -19.298 -14.502 493 1HB LEU 70 1HB LEU 70 -7.177 -16.700 -12.972 494 2HB LEU 70 2HB LEU 70 -6.196 -18.131 -12.722 495 HG LEU 70 HG LEU 70 -4.707 -17.097 -14.031 496 1HD1 LEU 70 1HD1 LEU 70 -4.782 -17.651 -16.329 497 2HD1 LEU 70 2HD1 LEU 70 -5.683 -18.931 -15.481 498 3HD1 LEU 70 3HD1 LEU 70 -6.562 -17.652 -16.352 499 1HD2 LEU 70 1HD2 LEU 70 -7.006 -15.326 -14.707 500 2HD2 LEU 70 2HD2 LEU 70 -5.388 -14.928 -14.079 501 3HD2 LEU 70 3HD2 LEU 70 -5.602 -15.321 -15.802 502 HA PRO 71 HA PRO 71 -10.239 -20.543 -11.528 503 1HB PRO 71 1HB PRO 71 -8.720 -21.962 -9.754 504 2HB PRO 71 2HB PRO 71 -9.247 -22.608 -11.295 505 1HG PRO 71 1HG PRO 71 -6.564 -21.650 -10.506 506 2HG PRO 71 2HG PRO 71 -7.011 -22.671 -11.858 507 1HD PRO 71 1HD PRO 71 -6.341 -19.884 -11.961 508 2HD PRO 71 2HD PRO 71 -6.900 -20.877 -13.292 509 H ASN 72 H ASN 72 -10.864 -20.650 -9.125 510 HA ASN 72 HA ASN 72 -11.119 -18.206 -8.191 511 1HB ASN 72 1HB ASN 72 -10.817 -19.459 -5.791 512 2HB ASN 72 2HB ASN 72 -12.221 -19.713 -6.810 513 1HD2 ASN 72 2HD2 ASN 72 -10.143 -21.271 -4.959 514 2HD2 ASN 72 1HD2 ASN 72 -10.005 -22.808 -5.745 515 H ASN 73 H ASN 73 -8.859 -20.276 -6.282 516 HA ASN 73 HA ASN 73 -7.341 -18.130 -5.449 517 1HB ASN 73 1HB ASN 73 -7.517 -20.860 -4.852 518 2HB ASN 73 2HB ASN 73 -5.913 -20.739 -5.548 519 1HD2 ASN 73 2HD2 ASN 73 -5.437 -21.407 -3.283 520 2HD2 ASN 73 1HD2 ASN 73 -5.157 -20.172 -2.101 521 H ALA 74 H ALA 74 -7.601 -19.399 -8.533 522 HA ALA 74 HA ALA 74 -6.103 -19.826 -10.215 523 1HB ALA 74 1HB ALA 74 -6.810 -17.747 -10.904 524 2HB ALA 74 2HB ALA 74 -6.249 -16.943 -9.418 525 3HB ALA 74 3HB ALA 74 -5.081 -17.387 -10.685 526 H LYS 75 H LYS 75 -4.596 -21.327 -9.240 527 HA LYS 75 HA LYS 75 -2.223 -20.127 -8.062 528 1HB LYS 75 1HB LYS 75 -1.649 -22.388 -7.403 529 2HB LYS 75 2HB LYS 75 -3.291 -22.018 -6.914 530 1HG LYS 75 1HG LYS 75 -4.039 -23.815 -8.070 531 2HG LYS 75 2HG LYS 75 -3.466 -23.095 -9.561 532 1HD LYS 75 1HD LYS 75 -1.113 -24.061 -8.372 533 2HD LYS 75 2HD LYS 75 -2.296 -25.290 -7.971 534 1HE LYS 75 1HE LYS 75 -2.959 -24.966 -10.574 535 2HE LYS 75 2HE LYS 75 -1.295 -24.426 -10.677 536 1HZ LYS 75 1HZ LYS 75 -0.691 -26.510 -9.528 537 2HZ LYS 75 2HZ LYS 75 -2.238 -27.015 -9.667 538 3HZ LYS 75 3HZ LYS 75 -1.345 -26.742 -11.007 539 H LEU 76 H LEU 76 -0.526 -19.575 -9.308 540 HA LEU 76 HA LEU 76 -0.260 -21.000 -11.863 541 1HB LEU 76 1HB LEU 76 1.035 -18.364 -11.451 542 2HB LEU 76 2HB LEU 76 0.357 -19.078 -12.900 543 HG LEU 76 HG LEU 76 -1.080 -17.317 -12.475 544 1HD1 LEU 76 1HD1 LEU 76 -3.077 -18.344 -12.406 545 2HD1 LEU 76 2HD1 LEU 76 -2.100 -19.831 -12.337 546 3HD1 LEU 76 3HD1 LEU 76 -2.747 -19.120 -10.838 547 1HD2 LEU 76 1HD2 LEU 76 -1.658 -17.813 -9.617 548 2HD2 LEU 76 2HD2 LEU 76 -0.017 -17.232 -9.988 549 3HD2 LEU 76 3HD2 LEU 76 -1.434 -16.286 -10.504 550 H GLU 77 H GLU 77 1.932 -21.498 -12.583 551 HA GLU 77 HA GLU 77 3.624 -21.965 -10.269 552 1HB GLU 77 1HB GLU 77 4.400 -23.884 -11.317 553 2HB GLU 77 2HB GLU 77 2.789 -23.799 -12.003 554 1HG GLU 77 1HG GLU 77 3.777 -22.502 -13.968 555 2HG GLU 77 2HG GLU 77 5.369 -22.811 -13.304 556 H MET 78 H MET 78 5.604 -20.962 -10.052 557 HA MET 78 HA MET 78 6.221 -18.987 -12.034 558 1HB MET 78 1HB MET 78 6.466 -19.168 -9.257 559 2HB MET 78 2HB MET 78 8.116 -19.461 -9.770 560 1HG MET 78 1HG MET 78 7.608 -17.329 -11.356 561 2HG MET 78 2HG MET 78 6.434 -16.982 -10.102 562 1HE MET 78 1HE MET 78 10.921 -16.826 -10.027 563 2HE MET 78 2HE MET 78 9.794 -17.313 -11.316 564 3HE MET 78 3HE MET 78 9.908 -15.604 -10.832 565 H VAL 79 H VAL 79 7.909 -19.041 -13.507 566 HA VAL 79 HA VAL 79 9.967 -21.058 -13.162 567 HB VAL 79 HB VAL 79 9.580 -22.209 -15.119 568 1HG1 VAL 79 1HG1 VAL 79 7.845 -22.675 -13.390 569 2HG1 VAL 79 2HG1 VAL 79 6.760 -21.532 -14.218 570 3HG1 VAL 79 3HG1 VAL 79 7.298 -23.011 -15.049 571 1HG2 VAL 79 1HG2 VAL 79 7.989 -21.464 -16.897 572 2HG2 VAL 79 2HG2 VAL 79 7.764 -19.942 -16.001 573 3HG2 VAL 79 3HG2 VAL 79 9.365 -20.360 -16.657 574 HA PRO 80 HA PRO 80 12.195 -17.695 -14.747 575 1HB PRO 80 1HB PRO 80 14.640 -18.882 -15.031 576 2HB PRO 80 2HB PRO 80 14.050 -18.257 -13.504 577 1HG PRO 80 1HG PRO 80 14.266 -21.067 -14.397 578 2HG PRO 80 2HG PRO 80 14.090 -20.443 -12.769 579 1HD PRO 80 1HD PRO 80 12.043 -21.651 -14.373 580 2HD PRO 80 2HD PRO 80 11.842 -20.923 -12.791 581 H VAL 81 H VAL 81 12.385 -16.665 -16.651 582 HA VAL 81 HA VAL 81 13.535 -17.524 -18.878 583 HB VAL 81 HB VAL 81 12.068 -19.567 -18.606 584 1HG1 VAL 81 1HG1 VAL 81 9.832 -18.137 -19.947 585 2HG1 VAL 81 2HG1 VAL 81 9.805 -19.508 -18.811 586 3HG1 VAL 81 3HG1 VAL 81 10.025 -17.850 -18.201 587 1HG2 VAL 81 1HG2 VAL 81 11.271 -18.812 -21.258 588 2HG2 VAL 81 2HG2 VAL 81 12.880 -18.129 -20.922 589 3HG2 VAL 81 3HG2 VAL 81 12.602 -19.878 -20.747 590 H SER 82 H SER 82 11.344 -16.945 -20.829 591 HA SER 82 HA SER 82 10.721 -14.233 -19.967 592 1HB SER 82 1HB SER 82 11.407 -13.306 -22.046 593 2HB SER 82 2HB SER 82 12.699 -14.403 -21.602 594 HG SER 82 HG SER 82 11.166 -14.425 -23.845 595 H ARG 83 H ARG 83 9.053 -13.265 -21.763 596 HA ARG 83 HA ARG 83 6.737 -14.583 -21.442 597 1HB ARG 83 1HB ARG 83 7.683 -12.631 -23.572 598 2HB ARG 83 2HB ARG 83 6.048 -13.259 -23.630 599 1HG ARG 83 1HG ARG 83 5.412 -11.747 -22.068 600 2HG ARG 83 2HG ARG 83 6.512 -12.476 -20.915 601 1HD ARG 83 1HD ARG 83 7.818 -10.622 -20.995 602 2HD ARG 83 2HD ARG 83 8.131 -10.917 -22.694 603 HE ARG 83 HE ARG 83 5.636 -9.752 -22.755 604 1HH1 ARG 83 2HH2 ARG 83 8.671 -8.828 -21.231 605 2HH1 ARG 83 1HH2 ARG 83 8.348 -7.129 -21.325 606 1HH2 ARG 83 2HH1 ARG 83 5.210 -7.510 -22.879 607 2HH2 ARG 83 1HH1 ARG 83 6.367 -6.374 -22.269 608 H SER 84 H SER 84 5.543 -16.177 -22.570 609 HA SER 84 HA SER 84 7.109 -17.661 -24.483 610 1HB SER 84 1HB SER 84 5.344 -18.372 -22.403 611 2HB SER 84 2HB SER 84 4.451 -18.744 -23.863 612 HG SER 84 HG SER 84 5.651 -20.581 -23.425 613 H ARG 85 H ARG 85 6.894 -16.095 -26.263 614 HA ARG 85 HA ARG 85 4.671 -14.966 -27.181 615 1HB ARG 85 1HB ARG 85 6.634 -14.432 -28.375 616 2HB ARG 85 2HB ARG 85 7.105 -16.110 -28.561 617 1HG ARG 85 1HG ARG 85 5.847 -16.398 -30.470 618 2HG ARG 85 2HG ARG 85 4.525 -15.412 -29.877 619 1HD ARG 85 1HD ARG 85 6.992 -13.847 -30.377 620 2HD ARG 85 2HD ARG 85 6.385 -14.641 -31.817 621 HE ARG 85 HE ARG 85 4.300 -13.276 -30.267 622 1HH1 ARG 85 2HH2 ARG 85 6.721 -12.926 -32.796 623 2HH1 ARG 85 1HH2 ARG 85 5.945 -11.560 -33.526 624 1HH2 ARG 85 2HH1 ARG 85 3.276 -11.474 -31.230 625 2HH2 ARG 85 1HH1 ARG 85 3.973 -10.729 -32.629 Start of MODEL 15 1 H SER 10 H SER 10 -12.070 -12.972 -6.295 2 HA SER 10 HA SER 10 -11.195 -15.519 -7.411 3 1HB SER 10 1HB SER 10 -10.776 -12.660 -8.383 4 2HB SER 10 2HB SER 10 -9.962 -14.043 -9.088 5 HG SER 10 HG SER 10 -11.822 -14.756 -9.995 6 H ALA 11 H ALA 11 -9.002 -16.162 -7.149 7 HA ALA 11 HA ALA 11 -7.218 -14.328 -5.775 8 1HB ALA 11 1HB ALA 11 -8.193 -15.323 -3.860 9 2HB ALA 11 2HB ALA 11 -8.274 -16.927 -4.626 10 3HB ALA 11 3HB ALA 11 -6.701 -16.255 -4.132 11 H VAL 12 H VAL 12 -5.051 -14.712 -6.286 12 HA VAL 12 HA VAL 12 -4.610 -17.010 -8.066 13 HB VAL 12 HB VAL 12 -2.791 -14.772 -8.426 14 1HG1 VAL 12 1HG1 VAL 12 -4.692 -15.861 -10.493 15 2HG1 VAL 12 2HG1 VAL 12 -3.017 -15.291 -10.683 16 3HG1 VAL 12 3HG1 VAL 12 -3.340 -16.855 -9.898 17 1HG2 VAL 12 1HG2 VAL 12 -4.547 -13.286 -7.878 18 2HG2 VAL 12 2HG2 VAL 12 -4.542 -13.372 -9.656 19 3HG2 VAL 12 3HG2 VAL 12 -5.761 -14.275 -8.725 20 H SER 13 H SER 13 -2.663 -18.174 -7.799 21 HA SER 13 HA SER 13 -1.086 -17.324 -5.503 22 1HB SER 13 1HB SER 13 -2.622 -19.177 -4.847 23 2HB SER 13 2HB SER 13 -1.971 -20.177 -6.130 24 HG SER 13 HG SER 13 -1.059 -20.443 -3.868 25 H VAL 14 H VAL 14 1.166 -17.561 -5.755 26 HA VAL 14 HA VAL 14 2.006 -18.767 -8.301 27 HB VAL 14 HB VAL 14 3.659 -16.647 -7.058 28 1HG1 VAL 14 1HG1 VAL 14 3.240 -16.106 -9.759 29 2HG1 VAL 14 2HG1 VAL 14 4.621 -16.978 -9.052 30 3HG1 VAL 14 3HG1 VAL 14 3.217 -17.883 -9.665 31 1HG2 VAL 14 1HG2 VAL 14 0.908 -16.129 -8.192 32 2HG2 VAL 14 2HG2 VAL 14 1.648 -15.493 -6.703 33 3HG2 VAL 14 3HG2 VAL 14 2.200 -14.909 -8.291 34 H LEU 15 H LEU 15 3.170 -20.587 -7.995 35 HA LEU 15 HA LEU 15 4.521 -20.874 -5.412 36 1HB LEU 15 1HB LEU 15 4.240 -23.152 -5.576 37 2HB LEU 15 2HB LEU 15 2.739 -22.511 -6.214 38 HG LEU 15 HG LEU 15 4.106 -22.767 -8.526 39 1HD1 LEU 15 1HD1 LEU 15 5.682 -24.407 -8.597 40 2HD1 LEU 15 2HD1 LEU 15 5.980 -23.804 -6.949 41 3HD1 LEU 15 3HD1 LEU 15 5.012 -25.277 -7.196 42 1HD2 LEU 15 1HD2 LEU 15 2.388 -24.101 -8.967 43 2HD2 LEU 15 2HD2 LEU 15 2.999 -25.352 -7.857 44 3HD2 LEU 15 3HD2 LEU 15 1.964 -24.042 -7.239 45 H ALA 16 H ALA 16 6.607 -20.230 -5.458 46 HA ALA 16 HA ALA 16 8.046 -20.289 -7.956 47 1HB ALA 16 1HB ALA 16 8.045 -18.558 -5.900 48 2HB ALA 16 2HB ALA 16 9.357 -19.627 -5.348 49 3HB ALA 16 3HB ALA 16 9.477 -18.813 -6.926 50 HA PRO 17 HA PRO 17 9.753 -24.202 -7.125 51 1HB PRO 17 1HB PRO 17 11.474 -24.341 -9.243 52 2HB PRO 17 2HB PRO 17 9.773 -24.745 -9.362 53 1HG PRO 17 1HG PRO 17 11.176 -22.328 -10.325 54 2HG PRO 17 2HG PRO 17 9.604 -22.944 -10.793 55 1HD PRO 17 1HD PRO 17 10.130 -20.736 -9.038 56 2HD PRO 17 2HD PRO 17 8.563 -21.425 -9.415 57 H ASN 18 H ASN 18 11.297 -21.277 -6.859 58 HA ASN 18 HA ASN 18 13.864 -22.354 -6.323 59 1HB ASN 18 1HB ASN 18 14.483 -20.067 -5.796 60 2HB ASN 18 2HB ASN 18 13.369 -19.975 -7.146 61 1HD2 ASN 18 2HD2 ASN 18 11.896 -18.483 -6.991 62 2HD2 ASN 18 1HD2 ASN 18 11.168 -17.860 -5.547 63 H GLY 19 H GLY 19 11.016 -22.742 -4.738 64 1HA GLY 19 1HA GLY 19 10.802 -23.703 -2.637 65 2HA GLY 19 2HA GLY 19 12.309 -22.970 -2.125 66 H ARG 20 H ARG 20 10.207 -20.838 -3.913 67 HA ARG 20 HA ARG 20 9.421 -19.646 -1.376 68 1HB ARG 20 1HB ARG 20 10.529 -18.519 -3.893 69 2HB ARG 20 2HB ARG 20 9.130 -17.642 -3.305 70 1HG ARG 20 1HG ARG 20 11.143 -18.363 -1.217 71 2HG ARG 20 2HG ARG 20 11.699 -17.217 -2.420 72 1HD ARG 20 1HD ARG 20 9.592 -15.842 -1.977 73 2HD ARG 20 2HD ARG 20 9.217 -16.935 -0.660 74 HE ARG 20 HE ARG 20 11.928 -15.802 -0.535 75 1HH1 ARG 20 2HH2 ARG 20 8.560 -15.400 0.402 76 2HH1 ARG 20 1HH2 ARG 20 8.923 -14.354 1.735 77 1HH2 ARG 20 2HH1 ARG 20 12.407 -14.424 1.223 78 2HH2 ARG 20 1HH1 ARG 20 11.126 -13.795 2.205 79 H ARG 21 H ARG 21 7.249 -19.902 -0.965 80 HA ARG 21 HA ARG 21 5.525 -20.116 -3.297 81 1HB ARG 21 1HB ARG 21 5.260 -21.197 -0.454 82 2HB ARG 21 2HB ARG 21 3.899 -21.168 -1.559 83 1HG ARG 21 1HG ARG 21 5.758 -22.329 -3.187 84 2HG ARG 21 2HG ARG 21 6.375 -22.859 -1.634 85 1HD ARG 21 1HD ARG 21 3.415 -23.146 -2.215 86 2HD ARG 21 2HD ARG 21 4.535 -24.301 -2.909 87 HE ARG 21 HE ARG 21 5.323 -24.260 -0.277 88 1HH1 ARG 21 2HH2 ARG 21 2.180 -24.649 -1.810 89 2HH1 ARG 21 1HH2 ARG 21 1.539 -25.634 -0.537 90 1HH2 ARG 21 2HH1 ARG 21 4.478 -25.559 1.402 91 2HH2 ARG 21 1HH1 ARG 21 2.855 -26.155 1.302 92 H HIS 22 H HIS 22 4.314 -18.293 -3.700 93 HA HIS 22 HA HIS 22 3.248 -16.867 -1.400 94 1HB HIS 22 1HB HIS 22 3.893 -14.708 -2.281 95 2HB HIS 22 2HB HIS 22 5.312 -15.696 -1.998 96 HD1 HIS 22 HD1 HIS 22 5.770 -17.241 -4.490 97 HD2 HIS 22 HD2 HIS 22 4.280 -13.320 -4.585 98 HE1 HIS 22 HE1 HIS 22 6.291 -16.334 -6.818 99 H THR 23 H THR 23 1.168 -16.056 -1.732 100 HA THR 23 HA THR 23 0.072 -16.534 -4.426 101 HB THR 23 HB THR 23 -0.701 -18.224 -2.773 102 HG1 THR 23 HG1 THR 23 -3.034 -17.464 -2.953 103 1HG2 THR 23 1HG2 THR 23 -0.480 -16.405 -0.804 104 2HG2 THR 23 2HG2 THR 23 -2.160 -16.043 -1.269 105 3HG2 THR 23 3HG2 THR 23 -1.720 -17.680 -0.725 106 H VAL 24 H VAL 24 -1.033 -14.918 -5.407 107 HA VAL 24 HA VAL 24 -1.462 -12.515 -3.768 108 HB VAL 24 HB VAL 24 -0.477 -12.810 -6.607 109 1HG1 VAL 24 1HG1 VAL 24 -0.995 -10.661 -7.122 110 2HG1 VAL 24 2HG1 VAL 24 -2.288 -10.920 -5.926 111 3HG1 VAL 24 3HG1 VAL 24 -0.786 -10.092 -5.448 112 1HG2 VAL 24 1HG2 VAL 24 1.262 -11.136 -5.503 113 2HG2 VAL 24 2HG2 VAL 24 0.715 -11.928 -4.005 114 3HG2 VAL 24 3HG2 VAL 24 1.423 -12.899 -5.318 115 H LYS 25 H LYS 25 -3.509 -11.677 -3.777 116 HA LYS 25 HA LYS 25 -5.451 -13.129 -5.392 117 1HB LYS 25 1HB LYS 25 -7.107 -12.199 -3.872 118 2HB LYS 25 2HB LYS 25 -5.833 -13.005 -2.979 119 1HG LYS 25 1HG LYS 25 -5.558 -11.094 -1.789 120 2HG LYS 25 2HG LYS 25 -4.905 -10.353 -3.236 121 1HD LYS 25 1HD LYS 25 -6.849 -9.091 -2.189 122 2HD LYS 25 2HD LYS 25 -7.061 -9.475 -3.886 123 1HE LYS 25 1HE LYS 25 -8.882 -10.777 -3.463 124 2HE LYS 25 2HE LYS 25 -8.050 -11.661 -2.199 125 1HZ LYS 25 1HZ LYS 25 -8.963 -8.940 -1.689 126 2HZ LYS 25 2HZ LYS 25 -10.022 -10.180 -1.600 127 3HZ LYS 25 3HZ LYS 25 -8.710 -10.154 -0.626 128 H VAL 26 H VAL 26 -6.134 -12.313 -7.292 129 HA VAL 26 HA VAL 26 -6.130 -9.390 -7.553 130 HB VAL 26 HB VAL 26 -5.058 -9.440 -9.570 131 1HG1 VAL 26 1HG1 VAL 26 -3.937 -11.415 -7.663 132 2HG1 VAL 26 2HG1 VAL 26 -3.278 -11.471 -9.315 133 3HG1 VAL 26 3HG1 VAL 26 -3.203 -9.959 -8.378 134 1HG2 VAL 26 1HG2 VAL 26 -6.163 -12.216 -9.827 135 2HG2 VAL 26 2HG2 VAL 26 -6.243 -10.845 -10.959 136 3HG2 VAL 26 3HG2 VAL 26 -4.730 -11.766 -10.782 137 H THR 27 H THR 27 -7.568 -8.736 -9.517 138 HA THR 27 HA THR 27 -10.089 -10.106 -9.139 139 HB THR 27 HB THR 27 -9.945 -7.882 -11.086 140 HG1 THR 27 HG1 THR 27 -9.074 -6.414 -9.503 141 1HG2 THR 27 1HG2 THR 27 -11.675 -8.834 -8.990 142 2HG2 THR 27 2HG2 THR 27 -11.135 -7.202 -8.530 143 3HG2 THR 27 3HG2 THR 27 -11.955 -7.462 -10.088 144 HA PRO 28 HA PRO 28 -10.027 -12.373 -12.780 145 1HB PRO 28 1HB PRO 28 -12.691 -12.610 -13.339 146 2HB PRO 28 2HB PRO 28 -11.873 -13.591 -12.140 147 1HG PRO 28 1HG PRO 28 -13.707 -11.310 -11.728 148 2HG PRO 28 2HG PRO 28 -13.224 -12.550 -10.588 149 1HD PRO 28 1HD PRO 28 -12.273 -9.846 -10.687 150 2HD PRO 28 2HD PRO 28 -11.707 -11.118 -9.622 151 H SER 29 H SER 29 -11.097 -9.198 -12.743 152 HA SER 29 HA SER 29 -11.234 -9.229 -15.649 153 1HB SER 29 1HB SER 29 -12.241 -6.906 -15.332 154 2HB SER 29 2HB SER 29 -13.211 -8.238 -14.735 155 HG SER 29 HG SER 29 -13.096 -6.482 -13.197 156 H THR 30 H THR 30 -9.030 -8.830 -13.194 157 HA THR 30 HA THR 30 -7.733 -6.458 -14.269 158 HB THR 30 HB THR 30 -7.411 -8.277 -11.853 159 HG1 THR 30 HG1 THR 30 -8.836 -6.264 -12.153 160 1HG2 THR 30 1HG2 THR 30 -5.098 -7.641 -12.879 161 2HG2 THR 30 2HG2 THR 30 -5.549 -5.955 -12.528 162 3HG2 THR 30 3HG2 THR 30 -5.398 -7.130 -11.200 163 H VAL 31 H VAL 31 -5.817 -6.394 -15.398 164 HA VAL 31 HA VAL 31 -5.210 -8.795 -16.831 165 HB VAL 31 HB VAL 31 -3.455 -7.255 -17.847 166 1HG1 VAL 31 1HG1 VAL 31 -6.397 -7.132 -18.046 167 2HG1 VAL 31 2HG1 VAL 31 -5.549 -5.718 -18.716 168 3HG1 VAL 31 3HG1 VAL 31 -5.166 -7.351 -19.313 169 1HG2 VAL 31 1HG2 VAL 31 -3.648 -5.717 -15.716 170 2HG2 VAL 31 2HG2 VAL 31 -3.345 -5.010 -17.321 171 3HG2 VAL 31 3HG2 VAL 31 -4.985 -4.977 -16.629 172 H LEU 32 H LEU 32 -3.625 -10.268 -16.413 173 HA LEU 32 HA LEU 32 -2.349 -10.287 -13.953 174 1HB LEU 32 1HB LEU 32 -1.739 -11.748 -16.524 175 2HB LEU 32 2HB LEU 32 -0.969 -12.100 -14.989 176 HG LEU 32 HG LEU 32 -3.945 -12.119 -15.012 177 1HD1 LEU 32 1HD1 LEU 32 -4.110 -13.453 -16.792 178 2HD1 LEU 32 2HD1 LEU 32 -2.354 -13.735 -16.858 179 3HD1 LEU 32 3HD1 LEU 32 -3.371 -14.709 -15.770 180 1HD2 LEU 32 1HD2 LEU 32 -3.590 -13.097 -13.057 181 2HD2 LEU 32 2HD2 LEU 32 -2.746 -14.440 -13.865 182 3HD2 LEU 32 3HD2 LEU 32 -1.833 -13.009 -13.327 183 H LEU 33 H LEU 33 -1.625 -8.551 -16.890 184 HA LEU 33 HA LEU 33 1.150 -8.336 -16.600 185 1HB LEU 33 1HB LEU 33 0.998 -6.564 -18.178 186 2HB LEU 33 2HB LEU 33 -0.113 -7.836 -18.644 187 HG LEU 33 HG LEU 33 -1.829 -6.293 -17.268 188 1HD1 LEU 33 1HD1 LEU 33 0.056 -4.252 -18.465 189 2HD1 LEU 33 2HD1 LEU 33 -1.420 -3.963 -17.512 190 3HD1 LEU 33 3HD1 LEU 33 0.018 -4.668 -16.734 191 1HD2 LEU 33 1HD2 LEU 33 -2.799 -5.886 -19.275 192 2HD2 LEU 33 2HD2 LEU 33 -1.287 -5.318 -20.023 193 3HD2 LEU 33 3HD2 LEU 33 -1.580 -7.062 -19.823 194 H GLN 34 H GLN 34 -1.604 -6.392 -15.311 195 HA GLN 34 HA GLN 34 0.060 -4.476 -14.136 196 1HB GLN 34 1HB GLN 34 -1.937 -3.623 -13.127 197 2HB GLN 34 2HB GLN 34 -2.420 -4.251 -14.690 198 1HG GLN 34 1HG GLN 34 -3.949 -5.552 -13.638 199 2HG GLN 34 2HG GLN 34 -2.629 -6.467 -12.937 200 1HE2 GLN 34 2HE2 GLN 34 -1.896 -6.022 -10.868 201 2HE2 GLN 34 1HE2 GLN 34 -2.811 -5.109 -9.715 202 H VAL 35 H VAL 35 -1.332 -7.594 -13.041 203 HA VAL 35 HA VAL 35 -0.561 -7.234 -10.328 204 HB VAL 35 HB VAL 35 -1.543 -9.256 -9.977 205 1HG1 VAL 35 1HG1 VAL 35 -3.008 -7.659 -11.401 206 2HG1 VAL 35 2HG1 VAL 35 -2.763 -8.846 -12.705 207 3HG1 VAL 35 3HG1 VAL 35 -3.542 -9.343 -11.184 208 1HG2 VAL 35 1HG2 VAL 35 -0.812 -10.196 -12.770 209 2HG2 VAL 35 2HG2 VAL 35 0.148 -10.521 -11.306 210 3HG2 VAL 35 3HG2 VAL 35 -1.502 -11.172 -11.451 211 H LEU 36 H LEU 36 0.791 -9.028 -13.171 212 HA LEU 36 HA LEU 36 2.964 -10.110 -11.804 213 1HB LEU 36 1HB LEU 36 1.992 -10.702 -14.079 214 2HB LEU 36 2HB LEU 36 2.901 -9.347 -14.719 215 HG LEU 36 HG LEU 36 4.238 -11.573 -13.175 216 1HD1 LEU 36 1HD1 LEU 36 3.765 -11.463 -16.167 217 2HD1 LEU 36 2HD1 LEU 36 4.781 -12.645 -15.308 218 3HD1 LEU 36 3HD1 LEU 36 3.024 -12.608 -15.024 219 1HD2 LEU 36 1HD2 LEU 36 5.337 -9.283 -13.647 220 2HD2 LEU 36 2HD2 LEU 36 6.251 -10.765 -14.015 221 3HD2 LEU 36 3HD2 LEU 36 5.460 -9.859 -15.327 222 H GLU 37 H GLU 37 2.566 -7.008 -13.618 223 HA GLU 37 HA GLU 37 5.215 -6.232 -13.308 224 1HB GLU 37 1HB GLU 37 2.687 -4.574 -13.707 225 2HB GLU 37 2HB GLU 37 4.310 -3.926 -13.834 226 1HG GLU 37 1HG GLU 37 3.807 -6.401 -15.432 227 2HG GLU 37 2HG GLU 37 2.904 -4.990 -15.946 228 H ASP 38 H ASP 38 2.290 -5.828 -11.268 229 HA ASP 38 HA ASP 38 3.340 -3.946 -9.546 230 1HB ASP 38 1HB ASP 38 1.137 -5.972 -9.492 231 2HB ASP 38 2HB ASP 38 1.667 -5.398 -7.923 232 H THR 39 H THR 39 3.083 -7.576 -9.290 233 HA THR 39 HA THR 39 4.516 -7.774 -6.877 234 HB THR 39 HB THR 39 4.723 -10.234 -7.833 235 HG1 THR 39 HG1 THR 39 4.299 -9.137 -10.046 236 1HG2 THR 39 1HG2 THR 39 2.753 -10.583 -6.729 237 2HG2 THR 39 2HG2 THR 39 2.547 -8.818 -6.637 238 3HG2 THR 39 3HG2 THR 39 1.854 -9.724 -8.003 239 H CYS 40 H CYS 40 5.530 -7.603 -10.289 240 HA CYS 40 HA CYS 40 8.150 -8.492 -9.821 241 1HB CYS 40 1HB CYS 40 6.771 -7.019 -12.048 242 2HB CYS 40 2HB CYS 40 8.521 -7.105 -12.038 243 HG CYS 40 HG CYS 40 6.538 -9.702 -11.525 244 H ARG 41 H ARG 41 6.442 -5.343 -9.647 245 HA ARG 41 HA ARG 41 8.746 -3.790 -9.473 246 1HB ARG 41 1HB ARG 41 7.217 -2.092 -9.481 247 2HB ARG 41 2HB ARG 41 5.988 -3.332 -9.618 248 1HG ARG 41 1HG ARG 41 5.600 -3.369 -7.243 249 2HG ARG 41 2HG ARG 41 7.079 -2.492 -6.904 250 1HD ARG 41 1HD ARG 41 5.424 -0.816 -6.689 251 2HD ARG 41 2HD ARG 41 6.023 -0.552 -8.314 252 HE ARG 41 HE ARG 41 3.959 -2.344 -8.715 253 1HH1 ARG 41 2HH2 ARG 41 4.187 0.744 -7.043 254 2HH1 ARG 41 1HH2 ARG 41 2.533 1.167 -7.332 255 1HH2 ARG 41 2HH1 ARG 41 1.777 -1.786 -9.097 256 2HH2 ARG 41 1HH1 ARG 41 1.152 -0.282 -8.508 257 H ARG 42 H ARG 42 6.488 -5.173 -6.990 258 HA ARG 42 HA ARG 42 7.988 -4.108 -4.858 259 1HB ARG 42 1HB ARG 42 6.516 -5.851 -3.538 260 2HB ARG 42 2HB ARG 42 5.722 -4.494 -4.312 261 1HG ARG 42 1HG ARG 42 5.929 -6.550 -6.297 262 2HG ARG 42 2HG ARG 42 5.384 -7.335 -4.828 263 1HD ARG 42 1HD ARG 42 4.096 -4.787 -5.912 264 2HD ARG 42 2HD ARG 42 3.533 -6.390 -6.339 265 HE ARG 42 HE ARG 42 3.747 -5.714 -3.445 266 1HH1 ARG 42 2HH2 ARG 42 1.723 -6.345 -6.254 267 2HH1 ARG 42 1HH2 ARG 42 0.280 -6.570 -5.323 268 1HH2 ARG 42 2HH1 ARG 42 1.843 -6.011 -2.216 269 2HH2 ARG 42 1HH1 ARG 42 0.349 -6.378 -3.011 270 H GLN 43 H GLN 43 7.814 -7.229 -6.620 271 HA GLN 43 HA GLN 43 9.724 -8.375 -4.781 272 1HB GLN 43 1HB GLN 43 9.013 -10.441 -5.520 273 2HB GLN 43 2HB GLN 43 7.580 -9.515 -5.920 274 1HG GLN 43 1HG GLN 43 8.628 -9.125 -8.244 275 2HG GLN 43 2HG GLN 43 9.842 -10.311 -7.804 276 1HE2 GLN 43 2HE2 GLN 43 6.960 -9.847 -9.307 277 2HE2 GLN 43 1HE2 GLN 43 6.294 -11.446 -9.267 278 H ASP 44 H ASP 44 10.016 -6.195 -7.131 279 HA ASP 44 HA ASP 44 11.390 -5.760 -8.791 280 1HB ASP 44 1HB ASP 44 13.777 -5.899 -8.147 281 2HB ASP 44 2HB ASP 44 12.794 -5.363 -6.799 282 H PHE 45 H PHE 45 10.269 -7.673 -10.039 283 HA PHE 45 HA PHE 45 12.337 -9.640 -10.716 284 1HB PHE 45 1HB PHE 45 9.492 -9.863 -9.830 285 2HB PHE 45 2HB PHE 45 9.805 -10.752 -11.308 286 HD1 PHE 45 HD1 PHE 45 9.611 -12.960 -10.513 287 HD2 PHE 45 HD2 PHE 45 12.206 -10.250 -8.530 288 HE1 PHE 45 HE1 PHE 45 10.564 -14.855 -9.170 289 HE2 PHE 45 HE2 PHE 45 13.159 -12.145 -7.188 290 HZ PHE 45 HZ PHE 45 12.327 -14.425 -7.524 291 H ASN 46 H ASN 46 12.118 -10.530 -12.956 292 HA ASN 46 HA ASN 46 10.831 -8.551 -14.669 293 1HB ASN 46 1HB ASN 46 13.578 -9.675 -14.656 294 2HB ASN 46 2HB ASN 46 12.812 -9.797 -16.228 295 1HD2 ASN 46 2HD2 ASN 46 14.193 -7.747 -13.851 296 2HD2 ASN 46 1HD2 ASN 46 14.079 -6.235 -14.689 297 HA PRO 47 HA PRO 47 8.836 -12.092 -16.334 298 1HB PRO 47 1HB PRO 47 7.859 -11.063 -18.670 299 2HB PRO 47 2HB PRO 47 7.077 -10.830 -17.119 300 1HG PRO 47 1HG PRO 47 8.670 -8.906 -18.700 301 2HG PRO 47 2HG PRO 47 7.547 -8.588 -17.393 302 1HD PRO 47 1HD PRO 47 10.411 -8.555 -17.241 303 2HD PRO 47 2HD PRO 47 9.289 -8.352 -15.911 304 H SER 48 H SER 48 11.117 -10.389 -18.345 305 HA SER 48 HA SER 48 11.341 -12.429 -20.225 306 1HB SER 48 1HB SER 48 12.111 -10.152 -20.686 307 2HB SER 48 2HB SER 48 13.277 -10.232 -19.381 308 HG SER 48 HG SER 48 13.794 -12.351 -20.947 309 H GLU 49 H GLU 49 12.132 -12.383 -16.931 310 HA GLU 49 HA GLU 49 14.124 -14.468 -17.375 311 1HB GLU 49 1HB GLU 49 14.041 -12.317 -15.223 312 2HB GLU 49 2HB GLU 49 15.030 -13.756 -15.068 313 1HG GLU 49 1HG GLU 49 15.366 -12.483 -17.704 314 2HG GLU 49 2HG GLU 49 15.739 -11.376 -16.397 315 H TYR 50 H TYR 50 10.985 -13.878 -16.557 316 HA TYR 50 HA TYR 50 10.864 -16.305 -14.961 317 1HB TYR 50 1HB TYR 50 9.845 -13.492 -14.244 318 2HB TYR 50 2HB TYR 50 9.194 -14.921 -13.467 319 HD1 TYR 50 HD1 TYR 50 11.605 -16.568 -13.022 320 HD2 TYR 50 HD2 TYR 50 11.040 -12.348 -12.596 321 HE1 TYR 50 HE1 TYR 50 13.481 -16.482 -11.307 322 HE2 TYR 50 HE2 TYR 50 12.917 -12.277 -10.883 323 HH TYR 50 HH TYR 50 14.447 -15.252 -9.761 324 H ASP 51 H ASP 51 8.999 -17.501 -15.338 325 HA ASP 51 HA ASP 51 7.005 -16.170 -16.991 326 1HB ASP 51 1HB ASP 51 8.539 -18.701 -17.471 327 2HB ASP 51 2HB ASP 51 6.829 -18.764 -17.850 328 H LEU 52 H LEU 52 4.802 -16.989 -16.633 329 HA LEU 52 HA LEU 52 4.585 -18.790 -14.323 330 1HB LEU 52 1HB LEU 52 2.739 -16.485 -14.939 331 2HB LEU 52 2HB LEU 52 2.718 -17.524 -13.527 332 HG LEU 52 HG LEU 52 5.147 -16.591 -13.144 333 1HD1 LEU 52 1HD1 LEU 52 3.939 -14.552 -15.018 334 2HD1 LEU 52 2HD1 LEU 52 5.240 -14.162 -13.868 335 3HD1 LEU 52 3HD1 LEU 52 5.510 -15.379 -15.138 336 1HD2 LEU 52 1HD2 LEU 52 2.876 -14.683 -12.608 337 2HD2 LEU 52 2HD2 LEU 52 2.988 -16.261 -11.792 338 3HD2 LEU 52 3HD2 LEU 52 4.290 -15.063 -11.596 339 H LYS 53 H LYS 53 3.140 -20.483 -14.500 340 HA LYS 53 HA LYS 53 1.260 -20.460 -16.697 341 1HB LYS 53 1HB LYS 53 3.373 -21.301 -17.700 342 2HB LYS 53 2HB LYS 53 3.408 -22.593 -16.517 343 1HG LYS 53 1HG LYS 53 0.801 -22.745 -17.550 344 2HG LYS 53 2HG LYS 53 1.763 -22.330 -18.955 345 1HD LYS 53 1HD LYS 53 2.188 -24.703 -17.084 346 2HD LYS 53 2HD LYS 53 1.675 -24.766 -18.759 347 1HE LYS 53 1HE LYS 53 4.253 -23.329 -18.277 348 2HE LYS 53 2HE LYS 53 4.286 -25.048 -17.937 349 1HZ LYS 53 1HZ LYS 53 3.210 -23.972 -20.443 350 2HZ LYS 53 2HZ LYS 53 4.780 -24.385 -20.266 351 3HZ LYS 53 3HZ LYS 53 3.615 -25.519 -20.114 352 H PHE 54 H PHE 54 -0.584 -21.629 -16.217 353 HA PHE 54 HA PHE 54 -0.455 -23.174 -13.723 354 1HB PHE 54 1HB PHE 54 -1.953 -21.577 -12.966 355 2HB PHE 54 2HB PHE 54 -1.975 -20.808 -14.540 356 HD1 PHE 54 HD1 PHE 54 -3.984 -20.714 -15.666 357 HD2 PHE 54 HD2 PHE 54 -3.380 -23.828 -12.847 358 HE1 PHE 54 HE1 PHE 54 -6.348 -21.485 -16.010 359 HE2 PHE 54 HE2 PHE 54 -5.744 -24.599 -13.191 360 HZ PHE 54 HZ PHE 54 -7.200 -23.418 -14.768 361 H GLN 55 H GLN 55 -0.777 -25.300 -14.167 362 HA GLN 55 HA GLN 55 -1.535 -27.128 -15.061 363 1HB GLN 55 1HB GLN 55 -3.714 -26.403 -14.222 364 2HB GLN 55 2HB GLN 55 -3.986 -25.412 -15.642 365 1HG GLN 55 1HG GLN 55 -4.937 -27.190 -16.673 366 2HG GLN 55 2HG GLN 55 -3.392 -28.017 -16.633 367 1HE2 GLN 55 2HE2 GLN 55 -6.570 -28.021 -15.604 368 2HE2 GLN 55 1HE2 GLN 55 -6.499 -29.232 -14.368 369 H ARG 56 H ARG 56 -3.646 -25.780 -17.487 370 HA ARG 56 HA ARG 56 -1.579 -26.347 -19.453 371 1HB ARG 56 1HB ARG 56 -4.615 -26.597 -19.533 372 2HB ARG 56 2HB ARG 56 -3.678 -26.569 -21.013 373 1HG ARG 56 1HG ARG 56 -2.745 -28.453 -18.865 374 2HG ARG 56 2HG ARG 56 -4.245 -28.864 -19.672 375 1HD ARG 56 1HD ARG 56 -2.794 -29.876 -21.164 376 2HD ARG 56 2HD ARG 56 -2.784 -28.274 -21.874 377 HE ARG 56 HE ARG 56 -0.745 -28.964 -19.798 378 1HH1 ARG 56 2HH2 ARG 56 -1.537 -28.060 -23.105 379 2HH1 ARG 56 1HH2 ARG 56 0.104 -27.715 -23.539 380 1HH2 ARG 56 2HH1 ARG 56 1.420 -28.509 -20.369 381 2HH2 ARG 56 1HH1 ARG 56 1.797 -27.972 -21.972 382 H THR 57 H THR 57 -2.459 -23.766 -17.872 383 HA THR 57 HA THR 57 -2.789 -22.078 -20.266 384 HB THR 57 HB THR 57 -3.985 -21.868 -17.459 385 HG1 THR 57 HG1 THR 57 -4.990 -21.794 -20.217 386 1HG2 THR 57 1HG2 THR 57 -3.380 -19.578 -18.055 387 2HG2 THR 57 2HG2 THR 57 -3.882 -19.834 -19.743 388 3HG2 THR 57 3HG2 THR 57 -5.103 -19.782 -18.449 389 H VAL 58 H VAL 58 -1.187 -20.694 -20.691 390 HA VAL 58 HA VAL 58 0.987 -20.565 -18.806 391 HB VAL 58 HB VAL 58 2.218 -19.635 -20.557 392 1HG1 VAL 58 1HG1 VAL 58 1.459 -22.015 -20.896 393 2HG1 VAL 58 2HG1 VAL 58 0.211 -21.391 -22.002 394 3HG1 VAL 58 3HG1 VAL 58 1.934 -21.159 -22.382 395 1HG2 VAL 58 1HG2 VAL 58 1.326 -18.576 -22.528 396 2HG2 VAL 58 2HG2 VAL 58 -0.336 -19.027 -22.079 397 3HG2 VAL 58 3HG2 VAL 58 0.559 -17.838 -21.101 398 H LEU 59 H LEU 59 1.662 -18.752 -17.637 399 HA LEU 59 HA LEU 59 -0.260 -16.529 -17.670 400 1HB LEU 59 1HB LEU 59 1.202 -17.886 -15.424 401 2HB LEU 59 2HB LEU 59 0.639 -16.234 -15.264 402 HG LEU 59 HG LEU 59 -0.847 -18.110 -14.355 403 1HD1 LEU 59 1HD1 LEU 59 -1.536 -15.670 -15.800 404 2HD1 LEU 59 2HD1 LEU 59 -2.871 -16.847 -15.758 405 3HD1 LEU 59 3HD1 LEU 59 -2.127 -16.290 -14.240 406 1HD2 LEU 59 1HD2 LEU 59 -1.699 -18.389 -17.243 407 2HD2 LEU 59 2HD2 LEU 59 -0.591 -19.523 -16.434 408 3HD2 LEU 59 3HD2 LEU 59 -2.253 -19.320 -15.830 409 H ASP 60 H ASP 60 0.539 -14.693 -18.523 410 HA ASP 60 HA ASP 60 3.306 -14.087 -17.949 411 1HB ASP 60 1HB ASP 60 2.796 -15.182 -20.347 412 2HB ASP 60 2HB ASP 60 2.266 -13.557 -20.736 413 H LEU 61 H LEU 61 3.064 -11.839 -20.046 414 HA LEU 61 HA LEU 61 1.526 -10.042 -18.362 415 1HB LEU 61 1HB LEU 61 3.363 -9.480 -20.694 416 2HB LEU 61 2HB LEU 61 2.630 -8.282 -19.646 417 HG LEU 61 HG LEU 61 4.262 -10.371 -18.301 418 1HD1 LEU 61 1HD1 LEU 61 5.844 -8.139 -19.460 419 2HD1 LEU 61 2HD1 LEU 61 6.313 -9.815 -19.084 420 3HD1 LEU 61 3HD1 LEU 61 5.383 -9.460 -20.560 421 1HD2 LEU 61 1HD2 LEU 61 4.752 -8.678 -16.770 422 2HD2 LEU 61 2HD2 LEU 61 4.385 -7.382 -17.935 423 3HD2 LEU 61 3HD2 LEU 61 3.066 -8.357 -17.242 424 H SER 62 H SER 62 1.600 -11.418 -21.674 425 HA SER 62 HA SER 62 -0.691 -9.838 -22.382 426 1HB SER 62 1HB SER 62 -0.463 -11.026 -24.591 427 2HB SER 62 2HB SER 62 0.979 -10.156 -24.107 428 HG SER 62 HG SER 62 0.836 -12.713 -24.792 429 H LEU 63 H LEU 63 -1.153 -11.541 -20.144 430 HA LEU 63 HA LEU 63 -3.101 -13.371 -21.333 431 1HB LEU 63 1HB LEU 63 -0.956 -14.019 -19.343 432 2HB LEU 63 2HB LEU 63 -2.485 -14.873 -19.291 433 HG LEU 63 HG LEU 63 -1.197 -16.284 -20.574 434 1HD1 LEU 63 1HD1 LEU 63 -2.244 -16.420 -22.603 435 2HD1 LEU 63 2HD1 LEU 63 -3.322 -15.272 -21.774 436 3HD1 LEU 63 3HD1 LEU 63 -2.102 -14.675 -22.925 437 1HD2 LEU 63 1HD2 LEU 63 0.798 -14.934 -20.712 438 2HD2 LEU 63 2HD2 LEU 63 0.391 -15.554 -22.330 439 3HD2 LEU 63 3HD2 LEU 63 0.036 -13.861 -21.911 440 H GLN 64 H GLN 64 -5.004 -12.417 -20.811 441 HA GLN 64 HA GLN 64 -5.157 -11.088 -18.250 442 1HB GLN 64 1HB GLN 64 -7.120 -11.176 -20.584 443 2HB GLN 64 2HB GLN 64 -7.346 -10.229 -19.127 444 1HG GLN 64 1HG GLN 64 -6.326 -8.594 -20.394 445 2HG GLN 64 2HG GLN 64 -4.869 -9.349 -19.779 446 1HE2 GLN 64 2HE2 GLN 64 -7.240 -9.579 -22.414 447 2HE2 GLN 64 1HE2 GLN 64 -6.136 -10.024 -23.672 448 H TRP 65 H TRP 65 -6.635 -11.681 -16.596 449 HA TRP 65 HA TRP 65 -7.190 -14.419 -16.401 450 1HB TRP 65 1HB TRP 65 -6.808 -13.134 -14.437 451 2HB TRP 65 2HB TRP 65 -8.102 -12.017 -14.822 452 HD1 TRP 65 HD1 TRP 65 -10.556 -13.901 -15.286 453 HE1 TRP 65 HE1 TRP 65 -11.630 -15.416 -13.410 454 HE3 TRP 65 HE3 TRP 65 -6.438 -14.043 -12.306 455 HZ2 TRP 65 HZ2 TRP 65 -10.659 -16.479 -10.947 456 HZ3 TRP 65 HZ3 TRP 65 -6.585 -15.341 -10.184 457 HH2 TRP 65 HH2 TRP 65 -8.602 -16.533 -9.488 458 H ARG 66 H ARG 66 -9.101 -11.530 -17.383 459 HA ARG 66 HA ARG 66 -11.567 -12.696 -17.399 460 1HB ARG 66 1HB ARG 66 -12.235 -10.870 -18.869 461 2HB ARG 66 2HB ARG 66 -11.022 -10.243 -17.772 462 1HG ARG 66 1HG ARG 66 -9.270 -10.488 -19.492 463 2HG ARG 66 2HG ARG 66 -10.399 -11.269 -20.580 464 1HD ARG 66 1HD ARG 66 -10.697 -9.153 -21.419 465 2HD ARG 66 2HD ARG 66 -11.779 -8.953 -20.055 466 HE ARG 66 HE ARG 66 -8.965 -8.370 -19.437 467 1HH1 ARG 66 2HH2 ARG 66 -12.027 -7.054 -20.566 468 2HH1 ARG 66 1HH2 ARG 66 -11.628 -5.423 -20.142 469 1HH2 ARG 66 2HH1 ARG 66 -8.438 -6.218 -18.878 470 2HH2 ARG 66 1HH1 ARG 66 -9.573 -4.944 -19.176 471 H PHE 67 H PHE 67 -8.800 -13.234 -19.470 472 HA PHE 67 HA PHE 67 -10.502 -14.588 -21.435 473 1HB PHE 67 1HB PHE 67 -7.764 -13.252 -21.380 474 2HB PHE 67 2HB PHE 67 -8.033 -14.514 -22.566 475 HD1 PHE 67 HD1 PHE 67 -9.775 -14.212 -24.315 476 HD2 PHE 67 HD2 PHE 67 -8.728 -11.085 -21.644 477 HE1 PHE 67 HE1 PHE 67 -10.857 -12.542 -25.846 478 HE2 PHE 67 HE2 PHE 67 -9.810 -9.415 -23.175 479 HZ PHE 67 HZ PHE 67 -10.861 -10.164 -25.257 480 H ALA 68 H ALA 68 -7.319 -14.900 -19.698 481 HA ALA 68 HA ALA 68 -6.946 -17.585 -20.362 482 1HB ALA 68 1HB ALA 68 -5.139 -17.485 -18.840 483 2HB ALA 68 2HB ALA 68 -5.307 -15.812 -19.426 484 3HB ALA 68 3HB ALA 68 -5.944 -16.263 -17.827 485 H ASN 69 H ASN 69 -9.196 -16.032 -18.233 486 HA ASN 69 HA ASN 69 -10.468 -16.733 -16.597 487 1HB ASN 69 1HB ASN 69 -11.675 -18.926 -17.100 488 2HB ASN 69 2HB ASN 69 -11.657 -17.796 -18.439 489 1HD2 ASN 69 2HD2 ASN 69 -10.270 -18.121 -20.196 490 2HD2 ASN 69 1HD2 ASN 69 -9.598 -19.672 -20.575 491 H LEU 70 H LEU 70 -8.862 -16.887 -14.860 492 HA LEU 70 HA LEU 70 -7.546 -19.444 -14.503 493 1HB LEU 70 1HB LEU 70 -7.325 -16.724 -13.263 494 2HB LEU 70 2HB LEU 70 -6.673 -18.122 -12.430 495 HG LEU 70 HG LEU 70 -5.058 -18.526 -14.083 496 1HD1 LEU 70 1HD1 LEU 70 -5.019 -17.544 -16.297 497 2HD1 LEU 70 2HD1 LEU 70 -6.574 -18.366 -16.026 498 3HD1 LEU 70 3HD1 LEU 70 -6.478 -16.591 -15.934 499 1HD2 LEU 70 1HD2 LEU 70 -4.522 -15.812 -14.602 500 2HD2 LEU 70 2HD2 LEU 70 -5.341 -15.862 -13.022 501 3HD2 LEU 70 3HD2 LEU 70 -3.870 -16.828 -13.294 502 HA PRO 71 HA PRO 71 -10.292 -20.901 -11.511 503 1HB PRO 71 1HB PRO 71 -8.687 -22.263 -9.768 504 2HB PRO 71 2HB PRO 71 -9.184 -22.910 -11.319 505 1HG PRO 71 1HG PRO 71 -6.556 -21.817 -10.524 506 2HG PRO 71 2HG PRO 71 -6.952 -22.837 -11.892 507 1HD PRO 71 1HD PRO 71 -6.440 -20.015 -11.947 508 2HD PRO 71 2HD PRO 71 -6.949 -21.015 -13.293 509 H ASN 72 H ASN 72 -10.898 -21.086 -9.108 510 HA ASN 72 HA ASN 72 -11.254 -18.653 -8.138 511 1HB ASN 72 1HB ASN 72 -10.965 -19.953 -5.763 512 2HB ASN 72 2HB ASN 72 -12.342 -20.221 -6.814 513 1HD2 ASN 72 2HD2 ASN 72 -10.309 -21.781 -4.942 514 2HD2 ASN 72 1HD2 ASN 72 -10.099 -23.290 -5.765 515 H ASN 73 H ASN 73 -8.919 -20.761 -6.340 516 HA ASN 73 HA ASN 73 -7.484 -18.590 -5.386 517 1HB ASN 73 1HB ASN 73 -7.194 -21.578 -5.400 518 2HB ASN 73 2HB ASN 73 -5.710 -20.685 -5.127 519 1HD2 ASN 73 2HD2 ASN 73 -7.348 -22.390 -3.365 520 2HD2 ASN 73 1HD2 ASN 73 -7.720 -21.449 -1.959 521 H ALA 74 H ALA 74 -7.686 -19.757 -8.512 522 HA ALA 74 HA ALA 74 -6.172 -20.083 -10.199 523 1HB ALA 74 1HB ALA 74 -5.326 -17.745 -10.815 524 2HB ALA 74 2HB ALA 74 -7.080 -17.905 -10.553 525 3HB ALA 74 3HB ALA 74 -6.052 -17.189 -9.288 526 H LYS 75 H LYS 75 -4.627 -21.592 -9.345 527 HA LYS 75 HA LYS 75 -2.295 -20.418 -8.059 528 1HB LYS 75 1HB LYS 75 -1.674 -22.713 -7.551 529 2HB LYS 75 2HB LYS 75 -3.315 -22.391 -7.028 530 1HG LYS 75 1HG LYS 75 -4.079 -24.096 -8.308 531 2HG LYS 75 2HG LYS 75 -3.462 -23.312 -9.749 532 1HD LYS 75 1HD LYS 75 -1.191 -24.317 -9.283 533 2HD LYS 75 2HD LYS 75 -1.872 -25.157 -7.904 534 1HE LYS 75 1HE LYS 75 -3.263 -26.538 -9.270 535 2HE LYS 75 2HE LYS 75 -3.130 -25.469 -10.651 536 1HZ LYS 75 1HZ LYS 75 -1.738 -27.356 -10.950 537 2HZ LYS 75 2HZ LYS 75 -0.775 -26.052 -10.756 538 3HZ LYS 75 3HZ LYS 75 -0.969 -27.113 -9.530 539 H LEU 76 H LEU 76 -0.586 -19.771 -9.242 540 HA LEU 76 HA LEU 76 -0.279 -21.014 -11.886 541 1HB LEU 76 1HB LEU 76 0.997 -18.408 -11.291 542 2HB LEU 76 2HB LEU 76 0.312 -19.021 -12.783 543 HG LEU 76 HG LEU 76 -1.131 -17.302 -12.233 544 1HD1 LEU 76 1HD1 LEU 76 -2.974 -18.894 -10.757 545 2HD1 LEU 76 2HD1 LEU 76 -2.962 -18.520 -12.497 546 3HD1 LEU 76 3HD1 LEU 76 -2.106 -19.958 -11.890 547 1HD2 LEU 76 1HD2 LEU 76 -1.748 -17.925 -9.431 548 2HD2 LEU 76 2HD2 LEU 76 -0.056 -17.450 -9.716 549 3HD2 LEU 76 3HD2 LEU 76 -1.380 -16.370 -10.215 550 H GLU 77 H GLU 77 1.905 -21.485 -12.606 551 HA GLU 77 HA GLU 77 3.613 -22.009 -10.311 552 1HB GLU 77 1HB GLU 77 3.674 -23.262 -13.092 553 2HB GLU 77 2HB GLU 77 4.678 -23.736 -11.736 554 1HG GLU 77 1HG GLU 77 1.917 -23.732 -10.863 555 2HG GLU 77 2HG GLU 77 2.016 -24.624 -12.368 556 H MET 78 H MET 78 5.543 -20.934 -10.092 557 HA MET 78 HA MET 78 6.173 -19.026 -12.134 558 1HB MET 78 1HB MET 78 6.346 -19.059 -9.365 559 2HB MET 78 2HB MET 78 8.005 -19.428 -9.791 560 1HG MET 78 1HG MET 78 6.401 -17.004 -10.739 561 2HG MET 78 2HG MET 78 7.710 -16.984 -9.574 562 1HE MET 78 1HE MET 78 10.055 -15.682 -11.030 563 2HE MET 78 2HE MET 78 9.796 -16.960 -9.818 564 3HE MET 78 3HE MET 78 10.832 -17.271 -11.231 565 H VAL 79 H VAL 79 7.940 -19.070 -13.529 566 HA VAL 79 HA VAL 79 9.972 -21.097 -13.095 567 HB VAL 79 HB VAL 79 7.963 -21.976 -14.485 568 1HG1 VAL 79 1HG1 VAL 79 9.377 -20.239 -16.535 569 2HG1 VAL 79 2HG1 VAL 79 8.208 -21.523 -16.926 570 3HG1 VAL 79 3HG1 VAL 79 7.688 -20.102 -15.989 571 1HG2 VAL 79 1HG2 VAL 79 10.429 -22.850 -14.215 572 2HG2 VAL 79 2HG2 VAL 79 9.364 -23.530 -15.468 573 3HG2 VAL 79 3HG2 VAL 79 10.588 -22.314 -15.905 574 HA PRO 80 HA PRO 80 12.289 -17.768 -14.618 575 1HB PRO 80 1HB PRO 80 14.726 -18.985 -14.839 576 2HB PRO 80 2HB PRO 80 14.102 -18.358 -13.326 577 1HG PRO 80 1HG PRO 80 14.306 -21.167 -14.224 578 2HG PRO 80 2HG PRO 80 14.095 -20.547 -12.599 579 1HD PRO 80 1HD PRO 80 12.076 -21.723 -14.263 580 2HD PRO 80 2HD PRO 80 11.842 -20.998 -12.685 581 H VAL 81 H VAL 81 12.545 -16.733 -16.512 582 HA VAL 81 HA VAL 81 13.744 -17.599 -18.709 583 HB VAL 81 HB VAL 81 12.240 -19.624 -18.481 584 1HG1 VAL 81 1HG1 VAL 81 10.066 -18.191 -19.904 585 2HG1 VAL 81 2HG1 VAL 81 9.989 -19.526 -18.730 586 3HG1 VAL 81 3HG1 VAL 81 10.212 -17.853 -18.163 587 1HG2 VAL 81 1HG2 VAL 81 11.545 -18.840 -21.159 588 2HG2 VAL 81 2HG2 VAL 81 13.162 -18.209 -20.762 589 3HG2 VAL 81 3HG2 VAL 81 12.823 -19.949 -20.608 590 H SER 82 H SER 82 11.655 -16.975 -20.734 591 HA SER 82 HA SER 82 10.999 -14.273 -19.867 592 1HB SER 82 1HB SER 82 11.785 -13.321 -21.905 593 2HB SER 82 2HB SER 82 13.058 -14.410 -21.392 594 HG SER 82 HG SER 82 11.453 -15.926 -22.877 595 H ARG 83 H ARG 83 9.468 -13.287 -21.813 596 HA ARG 83 HA ARG 83 7.106 -14.519 -21.600 597 1HB ARG 83 1HB ARG 83 8.156 -12.854 -23.942 598 2HB ARG 83 2HB ARG 83 6.461 -13.237 -23.717 599 1HG ARG 83 1HG ARG 83 6.321 -11.373 -22.426 600 2HG ARG 83 2HG ARG 83 7.215 -12.255 -21.203 601 1HD ARG 83 1HD ARG 83 8.979 -10.848 -21.446 602 2HD ARG 83 2HD ARG 83 9.128 -11.295 -23.134 603 HE ARG 83 HE ARG 83 6.955 -9.397 -22.668 604 1HH1 ARG 83 2HH2 ARG 83 10.418 -9.704 -23.212 605 2HH1 ARG 83 1HH2 ARG 83 10.591 -8.099 -23.838 606 1HH2 ARG 83 2HH1 ARG 83 7.183 -7.279 -23.493 607 2HH2 ARG 83 1HH1 ARG 83 8.739 -6.710 -23.999 608 H SER 84 H SER 84 9.504 -14.872 -24.304 609 HA SER 84 HA SER 84 8.576 -17.532 -24.729 610 1HB SER 84 1HB SER 84 7.055 -15.913 -26.105 611 2HB SER 84 2HB SER 84 8.458 -15.669 -27.125 612 HG SER 84 HG SER 84 6.814 -17.958 -26.822 613 H ARG 85 H ARG 85 10.846 -17.790 -23.995 614 HA ARG 85 HA ARG 85 12.999 -17.932 -24.236 615 1HB ARG 85 1HB ARG 85 11.954 -18.581 -27.005 616 2HB ARG 85 2HB ARG 85 13.688 -18.538 -26.755 617 1HG ARG 85 1HG ARG 85 13.614 -20.607 -25.837 618 2HG ARG 85 2HG ARG 85 12.582 -20.007 -24.554 619 1HD ARG 85 1HD ARG 85 11.484 -20.791 -27.291 620 2HD ARG 85 2HD ARG 85 11.636 -21.943 -25.980 621 HE ARG 85 HE ARG 85 9.685 -19.763 -26.175 622 1HH1 ARG 85 2HH2 ARG 85 11.342 -21.967 -23.988 623 2HH1 ARG 85 1HH2 ARG 85 10.126 -21.864 -22.759 624 1HH2 ARG 85 2HH1 ARG 85 8.081 -19.627 -24.554 625 2HH2 ARG 85 1HH1 ARG 85 8.258 -20.524 -23.083 Start of MODEL 16 1 H SER 10 H SER 10 -11.982 -12.734 -6.417 2 HA SER 10 HA SER 10 -11.268 -15.453 -7.185 3 1HB SER 10 1HB SER 10 -10.664 -12.785 -8.531 4 2HB SER 10 2HB SER 10 -9.967 -14.308 -9.047 5 HG SER 10 HG SER 10 -11.765 -14.731 -10.114 6 H ALA 11 H ALA 11 -8.976 -16.055 -7.099 7 HA ALA 11 HA ALA 11 -7.219 -14.187 -5.733 8 1HB ALA 11 1HB ALA 11 -7.928 -15.167 -3.767 9 2HB ALA 11 2HB ALA 11 -8.363 -16.700 -4.559 10 3HB ALA 11 3HB ALA 11 -6.655 -16.323 -4.228 11 H VAL 12 H VAL 12 -4.997 -14.622 -6.130 12 HA VAL 12 HA VAL 12 -4.558 -16.796 -8.060 13 HB VAL 12 HB VAL 12 -4.171 -13.953 -8.289 14 1HG1 VAL 12 1HG1 VAL 12 -1.878 -13.902 -9.124 15 2HG1 VAL 12 2HG1 VAL 12 -1.906 -14.424 -7.422 16 3HG1 VAL 12 3HG1 VAL 12 -1.670 -15.622 -8.717 17 1HG2 VAL 12 1HG2 VAL 12 -3.517 -14.733 -10.670 18 2HG2 VAL 12 2HG2 VAL 12 -3.945 -16.362 -10.093 19 3HG2 VAL 12 3HG2 VAL 12 -5.167 -15.067 -10.091 20 H SER 13 H SER 13 -2.661 -18.030 -7.810 21 HA SER 13 HA SER 13 -1.095 -17.340 -5.454 22 1HB SER 13 1HB SER 13 -2.716 -19.174 -4.922 23 2HB SER 13 2HB SER 13 -2.039 -20.140 -6.218 24 HG SER 13 HG SER 13 -1.001 -20.820 -4.349 25 H VAL 14 H VAL 14 1.141 -17.551 -5.731 26 HA VAL 14 HA VAL 14 1.985 -18.744 -8.282 27 HB VAL 14 HB VAL 14 3.641 -16.639 -7.016 28 1HG1 VAL 14 1HG1 VAL 14 4.616 -17.008 -9.002 29 2HG1 VAL 14 2HG1 VAL 14 3.180 -17.838 -9.650 30 3HG1 VAL 14 3HG1 VAL 14 3.280 -16.062 -9.701 31 1HG2 VAL 14 1HG2 VAL 14 2.227 -14.865 -8.187 32 2HG2 VAL 14 2HG2 VAL 14 0.926 -16.079 -8.232 33 3HG2 VAL 14 3HG2 VAL 14 1.577 -15.530 -6.669 34 H LEU 15 H LEU 15 3.135 -20.574 -7.982 35 HA LEU 15 HA LEU 15 4.471 -20.889 -5.396 36 1HB LEU 15 1HB LEU 15 4.183 -23.163 -5.583 37 2HB LEU 15 2HB LEU 15 2.690 -22.512 -6.229 38 HG LEU 15 HG LEU 15 4.081 -22.751 -8.530 39 1HD1 LEU 15 1HD1 LEU 15 5.906 -23.848 -6.893 40 2HD1 LEU 15 2HD1 LEU 15 4.948 -25.299 -7.276 41 3HD1 LEU 15 3HD1 LEU 15 5.684 -24.347 -8.587 42 1HD2 LEU 15 1HD2 LEU 15 2.427 -24.157 -9.037 43 2HD2 LEU 15 2HD2 LEU 15 2.919 -25.327 -7.789 44 3HD2 LEU 15 3HD2 LEU 15 1.883 -23.946 -7.356 45 H ALA 16 H ALA 16 6.559 -20.245 -5.423 46 HA ALA 16 HA ALA 16 8.016 -20.288 -7.911 47 1HB ALA 16 1HB ALA 16 9.144 -19.608 -5.190 48 2HB ALA 16 2HB ALA 16 9.575 -18.943 -6.783 49 3HB ALA 16 3HB ALA 16 8.034 -18.490 -6.017 50 HA PRO 17 HA PRO 17 9.726 -24.202 -7.103 51 1HB PRO 17 1HB PRO 17 11.497 -24.305 -9.181 52 2HB PRO 17 2HB PRO 17 9.800 -24.709 -9.347 53 1HG PRO 17 1HG PRO 17 11.221 -22.274 -10.237 54 2HG PRO 17 2HG PRO 17 9.661 -22.884 -10.752 55 1HD PRO 17 1HD PRO 17 10.142 -20.705 -8.949 56 2HD PRO 17 2HD PRO 17 8.586 -21.390 -9.374 57 H ASN 18 H ASN 18 11.247 -21.283 -6.732 58 HA ASN 18 HA ASN 18 13.811 -22.348 -6.175 59 1HB ASN 18 1HB ASN 18 14.052 -19.953 -5.084 60 2HB ASN 18 2HB ASN 18 13.875 -20.070 -6.823 61 1HD2 ASN 18 2HD2 ASN 18 13.065 -17.964 -6.878 62 2HD2 ASN 18 1HD2 ASN 18 11.436 -17.578 -6.433 63 H GLY 19 H GLY 19 10.964 -22.881 -4.669 64 1HA GLY 19 1HA GLY 19 10.699 -23.890 -2.607 65 2HA GLY 19 2HA GLY 19 12.199 -23.182 -2.043 66 H ARG 20 H ARG 20 10.130 -20.972 -3.772 67 HA ARG 20 HA ARG 20 9.278 -19.905 -1.200 68 1HB ARG 20 1HB ARG 20 10.360 -18.010 -1.866 69 2HB ARG 20 2HB ARG 20 10.656 -18.673 -3.461 70 1HG ARG 20 1HG ARG 20 8.694 -17.755 -4.369 71 2HG ARG 20 2HG ARG 20 7.863 -17.722 -2.826 72 1HD ARG 20 1HD ARG 20 8.428 -15.531 -2.629 73 2HD ARG 20 2HD ARG 20 10.104 -16.017 -2.470 74 HE ARG 20 HE ARG 20 9.741 -16.076 -5.198 75 1HH1 ARG 20 2HH2 ARG 20 9.064 -13.641 -2.750 76 2HH1 ARG 20 1HH2 ARG 20 9.287 -12.307 -3.832 77 1HH2 ARG 20 2HH1 ARG 20 10.036 -14.317 -6.626 78 2HH2 ARG 20 1HH1 ARG 20 9.844 -12.694 -6.052 79 H ARG 21 H ARG 21 7.088 -20.158 -0.897 80 HA ARG 21 HA ARG 21 5.463 -20.203 -3.308 81 1HB ARG 21 1HB ARG 21 5.433 -21.748 -0.774 82 2HB ARG 21 2HB ARG 21 3.848 -21.153 -1.227 83 1HG ARG 21 1HG ARG 21 3.925 -23.203 -2.370 84 2HG ARG 21 2HG ARG 21 4.430 -22.084 -3.621 85 1HD ARG 21 1HD ARG 21 6.444 -23.119 -3.805 86 2HD ARG 21 2HD ARG 21 6.770 -22.881 -2.100 87 HE ARG 21 HE ARG 21 5.635 -25.300 -3.352 88 1HH1 ARG 21 2HH2 ARG 21 6.254 -23.556 -0.359 89 2HH1 ARG 21 1HH2 ARG 21 6.124 -24.966 0.639 90 1HH2 ARG 21 2HH1 ARG 21 5.464 -27.160 -2.036 91 2HH2 ARG 21 1HH1 ARG 21 5.672 -27.030 -0.321 92 H HIS 22 H HIS 22 4.274 -18.352 -3.648 93 HA HIS 22 HA HIS 22 3.152 -17.042 -1.304 94 1HB HIS 22 1HB HIS 22 3.880 -14.871 -1.953 95 2HB HIS 22 2HB HIS 22 5.292 -15.906 -1.880 96 HD1 HIS 22 HD1 HIS 22 5.423 -17.191 -4.603 97 HD2 HIS 22 HD2 HIS 22 4.288 -13.190 -4.055 98 HE1 HIS 22 HE1 HIS 22 5.854 -16.015 -6.826 99 H THR 23 H THR 23 1.084 -16.209 -1.645 100 HA THR 23 HA THR 23 0.057 -16.528 -4.390 101 HB THR 23 HB THR 23 -0.808 -18.308 -2.933 102 HG1 THR 23 HG1 THR 23 -3.115 -17.413 -2.929 103 1HG2 THR 23 1HG2 THR 23 -1.978 -17.861 -0.862 104 2HG2 THR 23 2HG2 THR 23 -0.433 -16.985 -0.736 105 3HG2 THR 23 3HG2 THR 23 -1.926 -16.103 -1.138 106 H VAL 24 H VAL 24 -1.021 -14.856 -5.305 107 HA VAL 24 HA VAL 24 -1.480 -12.545 -3.546 108 HB VAL 24 HB VAL 24 -0.439 -12.679 -6.378 109 1HG1 VAL 24 1HG1 VAL 24 -0.639 -10.334 -6.587 110 2HG1 VAL 24 2HG1 VAL 24 -2.214 -10.881 -5.965 111 3HG1 VAL 24 3HG1 VAL 24 -1.036 -10.129 -4.864 112 1HG2 VAL 24 1HG2 VAL 24 1.452 -12.855 -5.104 113 2HG2 VAL 24 2HG2 VAL 24 1.284 -11.083 -5.105 114 3HG2 VAL 24 3HG2 VAL 24 0.724 -12.029 -3.705 115 H LYS 25 H LYS 25 -3.517 -11.674 -3.576 116 HA LYS 25 HA LYS 25 -5.473 -13.102 -5.151 117 1HB LYS 25 1HB LYS 25 -7.098 -11.849 -3.789 118 2HB LYS 25 2HB LYS 25 -5.943 -12.730 -2.810 119 1HG LYS 25 1HG LYS 25 -4.976 -10.023 -3.438 120 2HG LYS 25 2HG LYS 25 -6.536 -9.976 -2.641 121 1HD LYS 25 1HD LYS 25 -5.720 -10.870 -0.662 122 2HD LYS 25 2HD LYS 25 -4.534 -11.874 -1.473 123 1HE LYS 25 1HE LYS 25 -3.254 -9.708 -2.033 124 2HE LYS 25 2HE LYS 25 -4.352 -8.873 -0.952 125 1HZ LYS 25 1HZ LYS 25 -2.119 -10.358 -0.282 126 2HZ LYS 25 2HZ LYS 25 -3.140 -9.575 0.724 127 3HZ LYS 25 3HZ LYS 25 -3.409 -11.140 0.343 128 H VAL 26 H VAL 26 -6.075 -12.477 -7.148 129 HA VAL 26 HA VAL 26 -5.841 -9.611 -7.754 130 HB VAL 26 HB VAL 26 -5.001 -10.080 -9.877 131 1HG1 VAL 26 1HG1 VAL 26 -3.676 -11.106 -7.590 132 2HG1 VAL 26 2HG1 VAL 26 -3.381 -12.256 -8.917 133 3HG1 VAL 26 3HG1 VAL 26 -2.957 -10.538 -9.116 134 1HG2 VAL 26 1HG2 VAL 26 -6.225 -12.754 -9.459 135 2HG2 VAL 26 2HG2 VAL 26 -6.127 -11.749 -10.925 136 3HG2 VAL 26 3HG2 VAL 26 -4.723 -12.716 -10.414 137 H THR 27 H THR 27 -7.291 -9.045 -9.736 138 HA THR 27 HA THR 27 -9.907 -10.202 -9.165 139 HB THR 27 HB THR 27 -9.799 -7.981 -11.081 140 HG1 THR 27 HG1 THR 27 -8.774 -6.551 -9.440 141 1HG2 THR 27 1HG2 THR 27 -10.621 -7.195 -8.419 142 2HG2 THR 27 2HG2 THR 27 -11.646 -7.438 -9.854 143 3HG2 THR 27 3HG2 THR 27 -11.306 -8.802 -8.762 144 HA PRO 28 HA PRO 28 -10.121 -12.408 -12.837 145 1HB PRO 28 1HB PRO 28 -12.815 -12.484 -13.290 146 2HB PRO 28 2HB PRO 28 -12.006 -13.531 -12.140 147 1HG PRO 28 1HG PRO 28 -13.688 -11.156 -11.620 148 2HG PRO 28 2HG PRO 28 -13.232 -12.440 -10.519 149 1HD PRO 28 1HD PRO 28 -12.133 -9.793 -10.617 150 2HD PRO 28 2HD PRO 28 -11.598 -11.112 -9.596 151 H SER 29 H SER 29 -11.010 -9.179 -12.711 152 HA SER 29 HA SER 29 -11.220 -9.158 -15.615 153 1HB SER 29 1HB SER 29 -12.103 -6.761 -15.175 154 2HB SER 29 2HB SER 29 -13.152 -8.102 -14.760 155 HG SER 29 HG SER 29 -13.035 -6.483 -13.062 156 H THR 30 H THR 30 -9.003 -8.805 -13.136 157 HA THR 30 HA THR 30 -7.641 -6.485 -14.245 158 HB THR 30 HB THR 30 -7.348 -8.274 -11.797 159 HG1 THR 30 HG1 THR 30 -7.492 -5.943 -10.976 160 1HG2 THR 30 1HG2 THR 30 -5.242 -7.461 -11.303 161 2HG2 THR 30 2HG2 THR 30 -5.099 -7.283 -13.069 162 3HG2 THR 30 3HG2 THR 30 -5.573 -5.889 -12.069 163 H VAL 31 H VAL 31 -5.726 -6.491 -15.369 164 HA VAL 31 HA VAL 31 -5.155 -8.949 -16.725 165 HB VAL 31 HB VAL 31 -3.656 -6.332 -16.855 166 1HG1 VAL 31 1HG1 VAL 31 -2.404 -7.633 -18.215 167 2HG1 VAL 31 2HG1 VAL 31 -3.691 -8.846 -18.417 168 3HG1 VAL 31 3HG1 VAL 31 -3.718 -7.351 -19.381 169 1HG2 VAL 31 1HG2 VAL 31 -5.520 -5.345 -17.589 170 2HG2 VAL 31 2HG2 VAL 31 -5.455 -6.424 -19.003 171 3HG2 VAL 31 3HG2 VAL 31 -6.416 -6.883 -17.576 172 H LEU 32 H LEU 32 -3.520 -10.390 -16.331 173 HA LEU 32 HA LEU 32 -2.289 -10.406 -13.849 174 1HB LEU 32 1HB LEU 32 -1.702 -11.849 -16.429 175 2HB LEU 32 2HB LEU 32 -0.812 -12.157 -14.951 176 HG LEU 32 HG LEU 32 -2.576 -13.811 -15.326 177 1HD1 LEU 32 1HD1 LEU 32 -3.542 -13.802 -13.116 178 2HD1 LEU 32 2HD1 LEU 32 -1.863 -13.217 -13.028 179 3HD1 LEU 32 3HD1 LEU 32 -3.214 -12.062 -12.936 180 1HD2 LEU 32 1HD2 LEU 32 -4.134 -12.313 -16.550 181 2HD2 LEU 32 2HD2 LEU 32 -4.921 -13.266 -15.268 182 3HD2 LEU 32 3HD2 LEU 32 -4.559 -11.543 -15.002 183 H LEU 33 H LEU 33 -1.540 -8.635 -16.758 184 HA LEU 33 HA LEU 33 1.226 -8.374 -16.400 185 1HB LEU 33 1HB LEU 33 1.138 -6.815 -18.092 186 2HB LEU 33 2HB LEU 33 -0.220 -7.869 -18.434 187 HG LEU 33 HG LEU 33 -1.663 -6.124 -17.200 188 1HD1 LEU 33 1HD1 LEU 33 -0.688 -4.348 -16.305 189 2HD1 LEU 33 2HD1 LEU 33 0.902 -4.931 -16.853 190 3HD1 LEU 33 3HD1 LEU 33 -0.069 -3.872 -17.905 191 1HD2 LEU 33 1HD2 LEU 33 -0.431 -5.187 -19.795 192 2HD2 LEU 33 2HD2 LEU 33 -1.537 -6.577 -19.692 193 3HD2 LEU 33 3HD2 LEU 33 -2.096 -4.957 -19.208 194 H GLN 34 H GLN 34 -1.590 -6.429 -15.238 195 HA GLN 34 HA GLN 34 0.004 -4.499 -14.009 196 1HB GLN 34 1HB GLN 34 -2.016 -3.614 -13.173 197 2HB GLN 34 2HB GLN 34 -2.513 -4.425 -14.645 198 1HG GLN 34 1HG GLN 34 -4.093 -5.338 -13.226 199 2HG GLN 34 2HG GLN 34 -2.819 -6.511 -12.960 200 1HE2 GLN 34 2HE2 GLN 34 -4.803 -4.110 -11.611 201 2HE2 GLN 34 1HE2 GLN 34 -4.158 -4.068 -10.004 202 H VAL 35 H VAL 35 -1.403 -7.619 -12.921 203 HA VAL 35 HA VAL 35 -0.699 -7.230 -10.196 204 HB VAL 35 HB VAL 35 -1.716 -9.223 -9.849 205 1HG1 VAL 35 1HG1 VAL 35 -2.775 -8.909 -12.659 206 2HG1 VAL 35 2HG1 VAL 35 -3.639 -9.383 -11.177 207 3HG1 VAL 35 3HG1 VAL 35 -3.115 -7.697 -11.401 208 1HG2 VAL 35 1HG2 VAL 35 -1.572 -11.195 -11.233 209 2HG2 VAL 35 2HG2 VAL 35 -0.833 -10.266 -12.560 210 3HG2 VAL 35 3HG2 VAL 35 0.062 -10.515 -11.042 211 H LEU 36 H LEU 36 0.712 -9.104 -12.962 212 HA LEU 36 HA LEU 36 2.876 -10.102 -11.505 213 1HB LEU 36 1HB LEU 36 2.149 -11.085 -13.570 214 2HB LEU 36 2HB LEU 36 2.468 -9.604 -14.453 215 HG LEU 36 HG LEU 36 4.832 -9.863 -14.238 216 1HD1 LEU 36 1HD1 LEU 36 5.029 -10.594 -11.960 217 2HD1 LEU 36 2HD1 LEU 36 4.237 -12.144 -12.335 218 3HD1 LEU 36 3HD1 LEU 36 5.845 -11.779 -13.008 219 1HD2 LEU 36 1HD2 LEU 36 4.966 -12.443 -15.016 220 2HD2 LEU 36 2HD2 LEU 36 3.222 -12.148 -15.220 221 3HD2 LEU 36 3HD2 LEU 36 4.404 -11.118 -16.063 222 H GLU 37 H GLU 37 2.340 -7.034 -13.286 223 HA GLU 37 HA GLU 37 5.002 -6.220 -13.184 224 1HB GLU 37 1HB GLU 37 2.370 -4.740 -13.513 225 2HB GLU 37 2HB GLU 37 3.898 -3.881 -13.495 226 1HG GLU 37 1HG GLU 37 3.679 -6.283 -15.301 227 2HG GLU 37 2HG GLU 37 2.814 -4.835 -15.777 228 H ASP 38 H ASP 38 2.189 -5.757 -10.979 229 HA ASP 38 HA ASP 38 3.373 -3.917 -9.313 230 1HB ASP 38 1HB ASP 38 1.114 -5.846 -9.193 231 2HB ASP 38 2HB ASP 38 1.773 -5.440 -7.622 232 H THR 39 H THR 39 3.080 -7.543 -9.044 233 HA THR 39 HA THR 39 4.644 -7.767 -6.718 234 HB THR 39 HB THR 39 3.934 -9.727 -8.964 235 HG1 THR 39 HG1 THR 39 2.159 -8.778 -7.725 236 1HG2 THR 39 1HG2 THR 39 5.087 -11.330 -7.817 237 2HG2 THR 39 2HG2 THR 39 5.720 -10.074 -6.726 238 3HG2 THR 39 3HG2 THR 39 4.198 -10.908 -6.334 239 H CYS 40 H CYS 40 5.470 -7.628 -10.187 240 HA CYS 40 HA CYS 40 8.111 -8.522 -9.840 241 1HB CYS 40 1HB CYS 40 6.623 -7.089 -12.024 242 2HB CYS 40 2HB CYS 40 8.370 -7.197 -12.105 243 HG CYS 40 HG CYS 40 6.717 -9.859 -11.198 244 H ARG 41 H ARG 41 6.419 -5.365 -9.651 245 HA ARG 41 HA ARG 41 8.734 -3.818 -9.630 246 1HB ARG 41 1HB ARG 41 7.187 -2.145 -9.675 247 2HB ARG 41 2HB ARG 41 5.943 -3.376 -9.591 248 1HG ARG 41 1HG ARG 41 5.462 -1.949 -7.750 249 2HG ARG 41 2HG ARG 41 6.268 -3.324 -7.020 250 1HD ARG 41 1HD ARG 41 8.474 -1.889 -7.402 251 2HD ARG 41 2HD ARG 41 7.361 -0.540 -7.521 252 HE ARG 41 HE ARG 41 6.992 -2.301 -5.171 253 1HH1 ARG 41 2HH2 ARG 41 8.373 0.669 -6.458 254 2HH1 ARG 41 1HH2 ARG 41 8.556 1.408 -4.902 255 1HH2 ARG 41 2HH1 ARG 41 7.234 -1.326 -3.119 256 2HH2 ARG 41 1HH1 ARG 41 7.904 0.266 -2.990 257 H ARG 42 H ARG 42 6.594 -5.134 -7.011 258 HA ARG 42 HA ARG 42 8.193 -4.019 -4.978 259 1HB ARG 42 1HB ARG 42 6.783 -5.717 -3.544 260 2HB ARG 42 2HB ARG 42 5.950 -4.387 -4.325 261 1HG ARG 42 1HG ARG 42 6.039 -6.456 -6.275 262 2HG ARG 42 2HG ARG 42 5.652 -7.263 -4.769 263 1HD ARG 42 1HD ARG 42 4.179 -4.795 -5.812 264 2HD ARG 42 2HD ARG 42 3.619 -6.440 -6.040 265 HE ARG 42 HE ARG 42 4.173 -5.684 -3.239 266 1HH1 ARG 42 2HH2 ARG 42 1.762 -5.991 -5.784 267 2HH1 ARG 42 1HH2 ARG 42 0.423 -6.030 -4.686 268 1HH2 ARG 42 2HH1 ARG 42 2.407 -5.735 -1.790 269 2HH2 ARG 42 1HH1 ARG 42 0.792 -5.883 -2.399 270 H GLN 43 H GLN 43 7.937 -7.178 -6.658 271 HA GLN 43 HA GLN 43 9.892 -8.312 -4.868 272 1HB GLN 43 1HB GLN 43 9.200 -10.384 -5.632 273 2HB GLN 43 2HB GLN 43 7.743 -9.463 -5.951 274 1HG GLN 43 1HG GLN 43 8.998 -8.983 -8.293 275 2HG GLN 43 2HG GLN 43 9.810 -10.483 -7.892 276 1HE2 GLN 43 2HE2 GLN 43 8.230 -12.195 -6.952 277 2HE2 GLN 43 1HE2 GLN 43 6.790 -12.478 -7.872 278 H ASP 44 H ASP 44 10.070 -6.179 -7.334 279 HA ASP 44 HA ASP 44 11.456 -5.713 -8.958 280 1HB ASP 44 1HB ASP 44 13.942 -6.228 -8.344 281 2HB ASP 44 2HB ASP 44 13.027 -5.173 -7.286 282 H PHE 45 H PHE 45 10.284 -7.615 -10.186 283 HA PHE 45 HA PHE 45 12.329 -9.577 -10.945 284 1HB PHE 45 1HB PHE 45 9.512 -9.813 -9.967 285 2HB PHE 45 2HB PHE 45 9.789 -10.704 -11.451 286 HD1 PHE 45 HD1 PHE 45 9.700 -12.924 -10.715 287 HD2 PHE 45 HD2 PHE 45 12.197 -10.166 -8.674 288 HE1 PHE 45 HE1 PHE 45 10.703 -14.809 -9.397 289 HE2 PHE 45 HE2 PHE 45 13.200 -12.051 -7.355 290 HZ PHE 45 HZ PHE 45 12.442 -14.350 -7.732 291 H ASN 46 H ASN 46 12.030 -10.454 -13.181 292 HA ASN 46 HA ASN 46 10.665 -8.474 -14.832 293 1HB ASN 46 1HB ASN 46 13.395 -9.727 -15.031 294 2HB ASN 46 2HB ASN 46 12.536 -9.514 -16.544 295 1HD2 ASN 46 2HD2 ASN 46 12.030 -7.478 -17.299 296 2HD2 ASN 46 1HD2 ASN 46 12.751 -6.026 -16.687 297 HA PRO 47 HA PRO 47 8.661 -12.018 -16.476 298 1HB PRO 47 1HB PRO 47 7.649 -11.000 -18.802 299 2HB PRO 47 2HB PRO 47 6.890 -10.761 -17.241 300 1HG PRO 47 1HG PRO 47 8.458 -8.842 -18.853 301 2HG PRO 47 2HG PRO 47 7.354 -8.520 -17.531 302 1HD PRO 47 1HD PRO 47 10.220 -8.483 -17.421 303 2HD PRO 47 2HD PRO 47 9.116 -8.276 -16.076 304 H SER 48 H SER 48 10.903 -10.319 -18.536 305 HA SER 48 HA SER 48 11.105 -12.372 -20.405 306 1HB SER 48 1HB SER 48 11.907 -10.259 -21.097 307 2HB SER 48 2HB SER 48 12.827 -10.011 -19.627 308 HG SER 48 HG SER 48 13.635 -12.272 -21.075 309 H GLU 49 H GLU 49 11.950 -12.299 -17.125 310 HA GLU 49 HA GLU 49 13.945 -14.378 -17.588 311 1HB GLU 49 1HB GLU 49 13.878 -12.287 -15.370 312 2HB GLU 49 2HB GLU 49 14.962 -13.664 -15.376 313 1HG GLU 49 1HG GLU 49 15.620 -12.798 -17.797 314 2HG GLU 49 2HG GLU 49 14.914 -11.287 -17.258 315 H TYR 50 H TYR 50 10.817 -13.779 -16.703 316 HA TYR 50 HA TYR 50 10.739 -16.197 -15.085 317 1HB TYR 50 1HB TYR 50 9.679 -13.389 -14.404 318 2HB TYR 50 2HB TYR 50 9.080 -14.818 -13.585 319 HD1 TYR 50 HD1 TYR 50 10.987 -12.162 -12.931 320 HD2 TYR 50 HD2 TYR 50 11.429 -16.416 -13.029 321 HE1 TYR 50 HE1 TYR 50 12.894 -12.009 -11.256 322 HE2 TYR 50 HE2 TYR 50 13.335 -16.249 -11.354 323 HH TYR 50 HH TYR 50 14.554 -13.102 -10.318 324 H ASP 51 H ASP 51 8.883 -17.420 -15.424 325 HA ASP 51 HA ASP 51 6.858 -16.136 -17.076 326 1HB ASP 51 1HB ASP 51 8.412 -18.661 -17.530 327 2HB ASP 51 2HB ASP 51 6.700 -18.742 -17.897 328 H LEU 52 H LEU 52 4.667 -16.983 -16.689 329 HA LEU 52 HA LEU 52 4.496 -18.739 -14.340 330 1HB LEU 52 1HB LEU 52 2.484 -16.597 -14.949 331 2HB LEU 52 2HB LEU 52 2.747 -17.473 -13.455 332 HG LEU 52 HG LEU 52 4.734 -15.499 -14.604 333 1HD1 LEU 52 1HD1 LEU 52 2.308 -14.705 -13.847 334 2HD1 LEU 52 2HD1 LEU 52 3.065 -14.797 -12.238 335 3HD1 LEU 52 3HD1 LEU 52 3.775 -13.758 -13.497 336 1HD2 LEU 52 1HD2 LEU 52 5.403 -17.366 -12.916 337 2HD2 LEU 52 2HD2 LEU 52 5.944 -15.692 -12.645 338 3HD2 LEU 52 3HD2 LEU 52 4.564 -16.342 -11.727 339 H LYS 53 H LYS 53 3.138 -20.491 -14.503 340 HA LYS 53 HA LYS 53 1.200 -20.541 -16.648 341 1HB LYS 53 1HB LYS 53 3.108 -21.316 -17.865 342 2HB LYS 53 2HB LYS 53 3.594 -22.390 -16.568 343 1HG LYS 53 1HG LYS 53 1.314 -23.574 -16.878 344 2HG LYS 53 2HG LYS 53 1.134 -22.641 -18.350 345 1HD LYS 53 1HD LYS 53 2.109 -24.681 -19.085 346 2HD LYS 53 2HD LYS 53 3.457 -23.563 -19.044 347 1HE LYS 53 1HE LYS 53 3.935 -24.416 -16.655 348 2HE LYS 53 2HE LYS 53 2.755 -25.676 -16.958 349 1HZ LYS 53 1HZ LYS 53 4.365 -25.710 -19.139 350 2HZ LYS 53 2HZ LYS 53 5.405 -25.466 -17.904 351 3HZ LYS 53 3HZ LYS 53 4.414 -26.763 -17.891 352 H PHE 54 H PHE 54 -0.521 -21.970 -16.225 353 HA PHE 54 HA PHE 54 -0.289 -23.419 -13.686 354 1HB PHE 54 1HB PHE 54 -1.712 -21.639 -13.066 355 2HB PHE 54 2HB PHE 54 -2.198 -21.330 -14.721 356 HD1 PHE 54 HD1 PHE 54 -2.564 -24.074 -12.204 357 HD2 PHE 54 HD2 PHE 54 -4.408 -21.716 -15.212 358 HE1 PHE 54 HE1 PHE 54 -4.746 -25.241 -11.782 359 HE2 PHE 54 HE2 PHE 54 -6.589 -22.884 -14.791 360 HZ PHE 54 HZ PHE 54 -6.732 -24.633 -13.080 361 H GLN 55 H GLN 55 -0.475 -25.567 -14.106 362 HA GLN 55 HA GLN 55 -1.115 -27.448 -14.980 363 1HB GLN 55 1HB GLN 55 -3.658 -25.839 -15.339 364 2HB GLN 55 2HB GLN 55 -3.578 -27.498 -15.899 365 1HG GLN 55 1HG GLN 55 -2.483 -27.210 -13.178 366 2HG GLN 55 2HG GLN 55 -4.140 -26.648 -13.274 367 1HE2 GLN 55 2HE2 GLN 55 -5.133 -28.264 -12.230 368 2HE2 GLN 55 1HE2 GLN 55 -5.204 -29.911 -12.762 369 H ARG 56 H ARG 56 -3.339 -26.218 -17.381 370 HA ARG 56 HA ARG 56 -1.278 -26.699 -19.376 371 1HB ARG 56 1HB ARG 56 -4.300 -27.090 -19.404 372 2HB ARG 56 2HB ARG 56 -3.395 -27.012 -20.902 373 1HG ARG 56 1HG ARG 56 -1.975 -28.913 -20.182 374 2HG ARG 56 2HG ARG 56 -2.782 -28.959 -18.628 375 1HD ARG 56 1HD ARG 56 -4.985 -29.345 -19.911 376 2HD ARG 56 2HD ARG 56 -4.015 -29.560 -21.355 377 HE ARG 56 HE ARG 56 -3.326 -31.657 -20.564 378 1HH1 ARG 56 2HH2 ARG 56 -4.754 -29.827 -17.920 379 2HH1 ARG 56 1HH2 ARG 56 -4.748 -31.165 -16.820 380 1HH2 ARG 56 2HH1 ARG 56 -3.317 -33.424 -19.114 381 2HH2 ARG 56 1HH1 ARG 56 -3.925 -33.225 -17.504 382 H THR 57 H THR 57 -2.255 -24.155 -17.787 383 HA THR 57 HA THR 57 -2.722 -22.493 -20.177 384 HB THR 57 HB THR 57 -3.818 -22.337 -17.329 385 HG1 THR 57 HG1 THR 57 -5.773 -22.438 -18.646 386 1HG2 THR 57 1HG2 THR 57 -4.789 -20.339 -19.267 387 2HG2 THR 57 2HG2 THR 57 -4.287 -20.107 -17.576 388 3HG2 THR 57 3HG2 THR 57 -3.070 -20.096 -18.875 389 H VAL 58 H VAL 58 -1.320 -20.878 -20.603 390 HA VAL 58 HA VAL 58 0.963 -20.700 -18.821 391 HB VAL 58 HB VAL 58 1.960 -19.434 -20.675 392 1HG1 VAL 58 1HG1 VAL 58 2.217 -21.284 -22.199 393 2HG1 VAL 58 2HG1 VAL 58 2.078 -21.932 -20.547 394 3HG1 VAL 58 3HG1 VAL 58 0.685 -22.010 -21.653 395 1HG2 VAL 58 1HG2 VAL 58 -0.280 -18.490 -21.458 396 2HG2 VAL 58 2HG2 VAL 58 0.857 -19.008 -22.725 397 3HG2 VAL 58 3HG2 VAL 58 -0.525 -20.043 -22.292 398 H LEU 59 H LEU 59 1.587 -18.833 -17.710 399 HA LEU 59 HA LEU 59 -0.410 -16.677 -17.769 400 1HB LEU 59 1HB LEU 59 1.054 -17.965 -15.483 401 2HB LEU 59 2HB LEU 59 0.440 -16.328 -15.355 402 HG LEU 59 HG LEU 59 -1.196 -17.700 -14.375 403 1HD1 LEU 59 1HD1 LEU 59 -3.135 -17.188 -15.570 404 2HD1 LEU 59 2HD1 LEU 59 -1.953 -15.980 -16.130 405 3HD1 LEU 59 3HD1 LEU 59 -2.334 -17.390 -17.147 406 1HD2 LEU 59 1HD2 LEU 59 -0.709 -19.548 -16.695 407 2HD2 LEU 59 2HD2 LEU 59 -0.679 -19.885 -14.948 408 3HD2 LEU 59 3HD2 LEU 59 -2.232 -19.622 -15.777 409 H ASP 60 H ASP 60 0.349 -14.804 -18.581 410 HA ASP 60 HA ASP 60 3.122 -14.179 -18.036 411 1HB ASP 60 1HB ASP 60 2.550 -15.200 -20.455 412 2HB ASP 60 2HB ASP 60 2.004 -13.566 -20.775 413 H LEU 61 H LEU 61 2.967 -11.817 -19.889 414 HA LEU 61 HA LEU 61 1.306 -10.146 -18.192 415 1HB LEU 61 1HB LEU 61 3.338 -9.448 -20.317 416 2HB LEU 61 2HB LEU 61 2.496 -8.299 -19.297 417 HG LEU 61 HG LEU 61 4.321 -10.470 -18.234 418 1HD1 LEU 61 1HD1 LEU 61 5.501 -7.933 -17.875 419 2HD1 LEU 61 2HD1 LEU 61 6.063 -9.274 -18.903 420 3HD1 LEU 61 3HD1 LEU 61 4.995 -8.020 -19.579 421 1HD2 LEU 61 1HD2 LEU 61 3.122 -8.020 -16.914 422 2HD2 LEU 61 2HD2 LEU 61 2.681 -9.717 -16.609 423 3HD2 LEU 61 3HD2 LEU 61 4.302 -9.126 -16.172 424 H SER 62 H SER 62 1.640 -11.239 -21.597 425 HA SER 62 HA SER 62 -0.557 -9.584 -22.379 426 1HB SER 62 1HB SER 62 -0.194 -10.565 -24.617 427 2HB SER 62 2HB SER 62 1.313 -9.985 -23.937 428 HG SER 62 HG SER 62 1.939 -12.118 -23.441 429 H LEU 63 H LEU 63 -1.230 -11.373 -20.249 430 HA LEU 63 HA LEU 63 -3.291 -12.911 -21.595 431 1HB LEU 63 1HB LEU 63 -1.416 -14.162 -19.583 432 2HB LEU 63 2HB LEU 63 -2.826 -14.918 -20.298 433 HG LEU 63 HG LEU 63 -0.444 -13.978 -21.914 434 1HD1 LEU 63 1HD1 LEU 63 0.302 -16.304 -21.970 435 2HD1 LEU 63 2HD1 LEU 63 0.284 -15.671 -20.306 436 3HD1 LEU 63 3HD1 LEU 63 -1.010 -16.762 -20.857 437 1HD2 LEU 63 1HD2 LEU 63 -1.764 -16.084 -23.203 438 2HD2 LEU 63 2HD2 LEU 63 -3.057 -15.023 -22.594 439 3HD2 LEU 63 3HD2 LEU 63 -1.783 -14.360 -23.645 440 H GLN 64 H GLN 64 -5.107 -12.030 -20.767 441 HA GLN 64 HA GLN 64 -4.985 -11.043 -18.057 442 1HB GLN 64 1HB GLN 64 -7.182 -10.803 -20.160 443 2HB GLN 64 2HB GLN 64 -7.185 -10.002 -18.602 444 1HG GLN 64 1HG GLN 64 -5.820 -8.346 -19.353 445 2HG GLN 64 2HG GLN 64 -4.657 -9.498 -19.979 446 1HE2 GLN 64 2HE2 GLN 64 -4.709 -10.141 -22.091 447 2HE2 GLN 64 1HE2 GLN 64 -5.676 -9.385 -23.313 448 H TRP 65 H TRP 65 -6.690 -11.599 -16.468 449 HA TRP 65 HA TRP 65 -7.104 -14.366 -16.328 450 1HB TRP 65 1HB TRP 65 -6.922 -13.148 -14.320 451 2HB TRP 65 2HB TRP 65 -8.174 -12.013 -14.783 452 HD1 TRP 65 HD1 TRP 65 -10.575 -13.927 -15.495 453 HE1 TRP 65 HE1 TRP 65 -11.809 -15.440 -13.719 454 HE3 TRP 65 HE3 TRP 65 -6.757 -14.013 -12.138 455 HZ2 TRP 65 HZ2 TRP 65 -11.066 -16.480 -11.167 456 HZ3 TRP 65 HZ3 TRP 65 -7.093 -15.300 -10.030 457 HH2 TRP 65 HH2 TRP 65 -9.157 -16.506 -9.520 458 H ARG 66 H ARG 66 -9.112 -11.571 -17.392 459 HA ARG 66 HA ARG 66 -11.506 -12.860 -17.565 460 1HB ARG 66 1HB ARG 66 -12.110 -11.101 -19.233 461 2HB ARG 66 2HB ARG 66 -11.237 -10.419 -17.875 462 1HG ARG 66 1HG ARG 66 -9.210 -10.196 -19.131 463 2HG ARG 66 2HG ARG 66 -9.753 -11.304 -20.375 464 1HD ARG 66 1HD ARG 66 -11.098 -8.616 -19.827 465 2HD ARG 66 2HD ARG 66 -9.833 -8.832 -21.021 466 HE ARG 66 HE ARG 66 -12.057 -10.724 -21.317 467 1HH1 ARG 66 2HH2 ARG 66 -10.826 -7.544 -22.187 468 2HH1 ARG 66 1HH2 ARG 66 -11.800 -7.416 -23.613 469 1HH2 ARG 66 2HH1 ARG 66 -13.343 -10.556 -23.199 470 2HH2 ARG 66 1HH1 ARG 66 -13.242 -9.141 -24.193 471 H PHE 67 H PHE 67 -8.621 -13.080 -19.600 472 HA PHE 67 HA PHE 67 -10.125 -14.556 -21.625 473 1HB PHE 67 1HB PHE 67 -7.444 -13.124 -21.379 474 2HB PHE 67 2HB PHE 67 -7.611 -14.359 -22.611 475 HD1 PHE 67 HD1 PHE 67 -8.323 -10.959 -21.707 476 HD2 PHE 67 HD2 PHE 67 -9.402 -14.080 -24.372 477 HE1 PHE 67 HE1 PHE 67 -9.373 -9.279 -23.248 478 HE2 PHE 67 HE2 PHE 67 -10.452 -12.400 -25.914 479 HZ PHE 67 HZ PHE 67 -10.425 -10.020 -25.333 480 H ALA 68 H ALA 68 -6.936 -14.768 -19.877 481 HA ALA 68 HA ALA 68 -6.466 -17.425 -20.493 482 1HB ALA 68 1HB ALA 68 -4.614 -16.315 -19.666 483 2HB ALA 68 2HB ALA 68 -5.547 -15.470 -18.407 484 3HB ALA 68 3HB ALA 68 -5.125 -17.188 -18.202 485 H ASN 69 H ASN 69 -8.856 -15.990 -18.432 486 HA ASN 69 HA ASN 69 -10.183 -16.764 -16.879 487 1HB ASN 69 1HB ASN 69 -11.247 -19.012 -17.430 488 2HB ASN 69 2HB ASN 69 -11.201 -17.902 -18.785 489 1HD2 ASN 69 2HD2 ASN 69 -9.686 -18.182 -20.445 490 2HD2 ASN 69 1HD2 ASN 69 -8.921 -19.705 -20.756 491 H LEU 70 H LEU 70 -8.921 -16.903 -14.943 492 HA LEU 70 HA LEU 70 -7.460 -19.404 -14.524 493 1HB LEU 70 1HB LEU 70 -7.249 -16.637 -13.384 494 2HB LEU 70 2HB LEU 70 -6.610 -18.009 -12.500 495 HG LEU 70 HG LEU 70 -4.916 -18.397 -14.017 496 1HD1 LEU 70 1HD1 LEU 70 -6.416 -18.603 -15.983 497 2HD1 LEU 70 2HD1 LEU 70 -6.386 -16.831 -16.154 498 3HD1 LEU 70 3HD1 LEU 70 -4.885 -17.769 -16.344 499 1HD2 LEU 70 1HD2 LEU 70 -4.422 -15.829 -14.906 500 2HD2 LEU 70 2HD2 LEU 70 -5.453 -15.575 -13.477 501 3HD2 LEU 70 3HD2 LEU 70 -3.945 -16.510 -13.332 502 HA PRO 71 HA PRO 71 -10.310 -20.703 -11.558 503 1HB PRO 71 1HB PRO 71 -8.770 -22.066 -9.758 504 2HB PRO 71 2HB PRO 71 -9.264 -22.738 -11.299 505 1HG PRO 71 1HG PRO 71 -6.616 -21.701 -10.494 506 2HG PRO 71 2HG PRO 71 -7.022 -22.745 -11.841 507 1HD PRO 71 1HD PRO 71 -6.428 -19.941 -11.961 508 2HD PRO 71 2HD PRO 71 -6.948 -20.960 -13.288 509 H ASN 72 H ASN 72 -10.953 -20.810 -9.159 510 HA ASN 72 HA ASN 72 -11.260 -18.349 -8.254 511 1HB ASN 72 1HB ASN 72 -11.010 -19.596 -5.843 512 2HB ASN 72 2HB ASN 72 -12.390 -19.851 -6.892 513 1HD2 ASN 72 2HD2 ASN 72 -12.852 -21.905 -6.375 514 2HD2 ASN 72 1HD2 ASN 72 -11.829 -23.270 -6.675 515 H ASN 73 H ASN 73 -8.975 -20.461 -6.394 516 HA ASN 73 HA ASN 73 -7.509 -18.300 -5.469 517 1HB ASN 73 1HB ASN 73 -6.781 -21.269 -5.669 518 2HB ASN 73 2HB ASN 73 -5.852 -20.104 -4.749 519 1HD2 ASN 73 2HD2 ASN 73 -6.845 -22.253 -3.489 520 2HD2 ASN 73 1HD2 ASN 73 -8.145 -21.838 -2.423 521 H ALA 74 H ALA 74 -7.717 -19.509 -8.580 522 HA ALA 74 HA ALA 74 -6.221 -19.860 -10.268 523 1HB ALA 74 1HB ALA 74 -5.913 -16.974 -9.359 524 2HB ALA 74 2HB ALA 74 -5.331 -17.584 -10.927 525 3HB ALA 74 3HB ALA 74 -7.069 -17.621 -10.548 526 H LYS 75 H LYS 75 -4.739 -21.433 -9.415 527 HA LYS 75 HA LYS 75 -2.372 -20.368 -8.106 528 1HB LYS 75 1HB LYS 75 -3.057 -23.259 -8.691 529 2HB LYS 75 2HB LYS 75 -1.852 -22.650 -7.574 530 1HG LYS 75 1HG LYS 75 -3.398 -22.457 -5.926 531 2HG LYS 75 2HG LYS 75 -4.401 -21.428 -6.930 532 1HD LYS 75 1HD LYS 75 -4.382 -24.438 -7.347 533 2HD LYS 75 2HD LYS 75 -5.373 -23.723 -6.091 534 1HE LYS 75 1HE LYS 75 -6.145 -22.099 -8.087 535 2HE LYS 75 2HE LYS 75 -5.604 -23.431 -9.089 536 1HZ LYS 75 1HZ LYS 75 -7.166 -24.324 -6.907 537 2HZ LYS 75 2HZ LYS 75 -7.987 -23.256 -7.829 538 3HZ LYS 75 3HZ LYS 75 -7.362 -24.605 -8.503 539 H LEU 76 H LEU 76 -0.628 -19.759 -9.259 540 HA LEU 76 HA LEU 76 -0.309 -21.002 -11.903 541 1HB LEU 76 1HB LEU 76 0.863 -18.334 -11.292 542 2HB LEU 76 2HB LEU 76 0.330 -19.010 -12.819 543 HG LEU 76 HG LEU 76 -1.246 -17.373 -12.442 544 1HD1 LEU 76 1HD1 LEU 76 -2.102 -20.044 -12.126 545 2HD1 LEU 76 2HD1 LEU 76 -3.057 -19.064 -10.987 546 3HD1 LEU 76 3HD1 LEU 76 -3.037 -18.649 -12.717 547 1HD2 LEU 76 1HD2 LEU 76 -0.329 -17.048 -10.028 548 2HD2 LEU 76 2HD2 LEU 76 -1.986 -16.531 -10.421 549 3HD2 LEU 76 3HD2 LEU 76 -1.714 -18.063 -9.557 550 H GLU 77 H GLU 77 1.865 -21.505 -12.576 551 HA GLU 77 HA GLU 77 3.560 -21.949 -10.260 552 1HB GLU 77 1HB GLU 77 4.287 -23.888 -11.263 553 2HB GLU 77 2HB GLU 77 2.740 -23.760 -12.075 554 1HG GLU 77 1HG GLU 77 3.890 -22.495 -13.953 555 2HG GLU 77 2HG GLU 77 5.424 -22.784 -13.158 556 H MET 78 H MET 78 5.588 -21.006 -10.076 557 HA MET 78 HA MET 78 6.163 -18.990 -12.041 558 1HB MET 78 1HB MET 78 6.445 -19.217 -9.255 559 2HB MET 78 2HB MET 78 8.093 -19.431 -9.813 560 1HG MET 78 1HG MET 78 7.406 -17.292 -11.354 561 2HG MET 78 2HG MET 78 6.318 -17.014 -10.008 562 1HE MET 78 1HE MET 78 9.739 -15.649 -11.038 563 2HE MET 78 2HE MET 78 10.821 -16.787 -10.199 564 3HE MET 78 3HE MET 78 9.657 -17.389 -11.404 565 H VAL 79 H VAL 79 7.850 -19.026 -13.517 566 HA VAL 79 HA VAL 79 9.915 -21.039 -13.191 567 HB VAL 79 HB VAL 79 7.827 -21.874 -14.536 568 1HG1 VAL 79 1HG1 VAL 79 7.610 -19.999 -16.051 569 2HG1 VAL 79 2HG1 VAL 79 9.290 -20.202 -16.605 570 3HG1 VAL 79 3HG1 VAL 79 8.073 -21.446 -16.979 571 1HG2 VAL 79 1HG2 VAL 79 10.524 -22.254 -15.847 572 2HG2 VAL 79 2HG2 VAL 79 10.156 -22.921 -14.238 573 3HG2 VAL 79 3HG2 VAL 79 9.200 -23.427 -15.651 574 HA PRO 80 HA PRO 80 12.106 -17.626 -14.730 575 1HB PRO 80 1HB PRO 80 14.585 -18.763 -14.907 576 2HB PRO 80 2HB PRO 80 13.929 -18.122 -13.414 577 1HG PRO 80 1HG PRO 80 14.237 -20.943 -14.243 578 2HG PRO 80 2HG PRO 80 13.993 -20.292 -12.635 579 1HD PRO 80 1HD PRO 80 12.028 -21.577 -14.282 580 2HD PRO 80 2HD PRO 80 11.758 -20.823 -12.724 581 H VAL 81 H VAL 81 12.338 -16.629 -16.647 582 HA VAL 81 HA VAL 81 13.580 -17.539 -18.817 583 HB VAL 81 HB VAL 81 12.081 -19.561 -18.556 584 1HG1 VAL 81 1HG1 VAL 81 9.886 -18.308 -20.043 585 2HG1 VAL 81 2HG1 VAL 81 9.843 -19.430 -18.662 586 3HG1 VAL 81 3HG1 VAL 81 10.053 -17.685 -18.384 587 1HG2 VAL 81 1HG2 VAL 81 12.664 -19.927 -20.676 588 2HG2 VAL 81 2HG2 VAL 81 11.387 -18.827 -21.249 589 3HG2 VAL 81 3HG2 VAL 81 13.003 -18.190 -20.862 590 H SER 82 H SER 82 11.529 -16.954 -20.876 591 HA SER 82 HA SER 82 10.852 -14.238 -20.068 592 1HB SER 82 1HB SER 82 11.792 -13.289 -21.976 593 2HB SER 82 2HB SER 82 12.937 -14.576 -21.654 594 HG SER 82 HG SER 82 12.249 -15.709 -23.392 595 H ARG 83 H ARG 83 9.161 -13.258 -21.671 596 HA ARG 83 HA ARG 83 6.899 -14.628 -21.592 597 1HB ARG 83 1HB ARG 83 6.059 -13.145 -23.405 598 2HB ARG 83 2HB ARG 83 7.073 -12.250 -22.291 599 1HG ARG 83 1HG ARG 83 8.885 -13.252 -24.211 600 2HG ARG 83 2HG ARG 83 7.481 -12.792 -25.153 601 1HD ARG 83 1HD ARG 83 7.686 -10.621 -23.461 602 2HD ARG 83 2HD ARG 83 9.372 -11.073 -23.607 603 HE ARG 83 HE ARG 83 8.281 -11.123 -26.226 604 1HH1 ARG 83 2HH2 ARG 83 8.913 -8.769 -23.688 605 2HH1 ARG 83 1HH2 ARG 83 9.121 -7.448 -24.789 606 1HH2 ARG 83 2HH1 ARG 83 8.556 -9.381 -27.679 607 2HH2 ARG 83 1HH1 ARG 83 8.917 -7.798 -27.074 608 H SER 84 H SER 84 5.684 -16.060 -22.968 609 HA SER 84 HA SER 84 7.310 -17.792 -24.485 610 1HB SER 84 1HB SER 84 5.167 -19.007 -24.907 611 2HB SER 84 2HB SER 84 5.427 -18.670 -23.207 612 HG SER 84 HG SER 84 3.434 -17.726 -24.937 613 H ARG 85 H ARG 85 6.492 -18.507 -26.798 614 HA ARG 85 HA ARG 85 5.110 -16.658 -28.332 615 1HB ARG 85 1HB ARG 85 7.808 -15.892 -27.872 616 2HB ARG 85 2HB ARG 85 7.809 -16.568 -29.489 617 1HG ARG 85 1HG ARG 85 5.666 -14.579 -28.668 618 2HG ARG 85 2HG ARG 85 7.249 -14.014 -29.165 619 1HD ARG 85 1HD ARG 85 6.431 -14.112 -31.296 620 2HD ARG 85 2HD ARG 85 6.661 -15.845 -31.171 621 HE ARG 85 HE ARG 85 4.342 -16.120 -31.035 622 1HH1 ARG 85 2HH2 ARG 85 5.144 -12.770 -30.318 623 2HH1 ARG 85 1HH2 ARG 85 3.493 -12.249 -30.281 624 1HH2 ARG 85 2HH1 ARG 85 2.163 -15.433 -30.986 625 2HH2 ARG 85 1HH1 ARG 85 1.785 -13.774 -30.664 Start of MODEL 17 1 H SER 10 H SER 10 -11.883 -12.316 -6.858 2 HA SER 10 HA SER 10 -11.476 -15.173 -6.963 3 1HB SER 10 1HB SER 10 -10.829 -12.837 -8.709 4 2HB SER 10 2HB SER 10 -9.652 -14.135 -8.723 5 HG SER 10 HG SER 10 -11.837 -15.489 -8.946 6 H ALA 11 H ALA 11 -9.042 -15.889 -7.080 7 HA ALA 11 HA ALA 11 -7.303 -14.214 -5.471 8 1HB ALA 11 1HB ALA 11 -7.719 -15.327 -3.564 9 2HB ALA 11 2HB ALA 11 -8.815 -16.449 -4.405 10 3HB ALA 11 3HB ALA 11 -7.070 -16.793 -4.336 11 H VAL 12 H VAL 12 -5.121 -14.563 -5.944 12 HA VAL 12 HA VAL 12 -4.631 -16.683 -7.922 13 HB VAL 12 HB VAL 12 -3.251 -14.002 -7.743 14 1HG1 VAL 12 1HG1 VAL 12 -3.292 -16.107 -9.933 15 2HG1 VAL 12 2HG1 VAL 12 -2.427 -14.552 -9.984 16 3HG1 VAL 12 3HG1 VAL 12 -1.948 -15.799 -8.807 17 1HG2 VAL 12 1HG2 VAL 12 -4.880 -13.017 -8.913 18 2HG2 VAL 12 2HG2 VAL 12 -4.947 -14.361 -10.077 19 3HG2 VAL 12 3HG2 VAL 12 -5.889 -14.443 -8.569 20 H SER 13 H SER 13 -2.731 -17.912 -7.684 21 HA SER 13 HA SER 13 -1.115 -17.239 -5.369 22 1HB SER 13 1HB SER 13 -2.912 -18.996 -4.816 23 2HB SER 13 2HB SER 13 -2.078 -20.077 -5.915 24 HG SER 13 HG SER 13 -0.171 -19.908 -4.600 25 H VAL 14 H VAL 14 1.063 -17.385 -5.843 26 HA VAL 14 HA VAL 14 1.768 -18.945 -8.233 27 HB VAL 14 HB VAL 14 3.490 -16.685 -7.429 28 1HG1 VAL 14 1HG1 VAL 14 3.655 -16.373 -9.839 29 2HG1 VAL 14 2HG1 VAL 14 3.901 -18.087 -9.427 30 3HG1 VAL 14 3HG1 VAL 14 2.346 -17.549 -10.106 31 1HG2 VAL 14 1HG2 VAL 14 0.665 -16.270 -8.433 32 2HG2 VAL 14 2HG2 VAL 14 1.465 -15.523 -7.029 33 3HG2 VAL 14 3HG2 VAL 14 1.957 -15.071 -8.679 34 H LEU 15 H LEU 15 2.961 -20.702 -7.733 35 HA LEU 15 HA LEU 15 4.545 -20.560 -5.267 36 1HB LEU 15 1HB LEU 15 4.179 -22.804 -4.921 37 2HB LEU 15 2HB LEU 15 2.632 -22.229 -5.510 38 HG LEU 15 HG LEU 15 3.063 -24.339 -6.524 39 1HD1 LEU 15 1HD1 LEU 15 3.579 -22.127 -8.531 40 2HD1 LEU 15 2HD1 LEU 15 3.066 -23.785 -8.927 41 3HD1 LEU 15 3HD1 LEU 15 1.994 -22.724 -7.983 42 1HD2 LEU 15 1HD2 LEU 15 5.781 -23.524 -6.449 43 2HD2 LEU 15 2HD2 LEU 15 5.107 -25.111 -6.893 44 3HD2 LEU 15 3HD2 LEU 15 5.372 -23.875 -8.146 45 H ALA 16 H ALA 16 6.703 -20.378 -5.500 46 HA ALA 16 HA ALA 16 7.817 -20.789 -8.141 47 1HB ALA 16 1HB ALA 16 9.729 -19.623 -7.268 48 2HB ALA 16 2HB ALA 16 8.284 -18.776 -6.663 49 3HB ALA 16 3HB ALA 16 9.190 -19.869 -5.590 50 HA PRO 17 HA PRO 17 9.285 -24.740 -7.102 51 1HB PRO 17 1HB PRO 17 10.893 -25.179 -9.268 52 2HB PRO 17 2HB PRO 17 9.159 -25.434 -9.294 53 1HG PRO 17 1HG PRO 17 10.725 -23.225 -10.479 54 2HG PRO 17 2HG PRO 17 9.086 -23.726 -10.842 55 1HD PRO 17 1HD PRO 17 9.880 -21.461 -9.272 56 2HD PRO 17 2HD PRO 17 8.244 -22.030 -9.539 57 H ASN 18 H ASN 18 11.095 -21.956 -7.114 58 HA ASN 18 HA ASN 18 13.574 -23.228 -6.590 59 1HB ASN 18 1HB ASN 18 14.267 -20.849 -5.941 60 2HB ASN 18 2HB ASN 18 13.630 -21.003 -7.566 61 1HD2 ASN 18 2HD2 ASN 18 13.575 -18.580 -6.744 62 2HD2 ASN 18 1HD2 ASN 18 12.020 -18.029 -6.216 63 H GLY 19 H GLY 19 10.729 -23.068 -4.871 64 1HA GLY 19 1HA GLY 19 10.543 -23.901 -2.690 65 2HA GLY 19 2HA GLY 19 12.123 -23.255 -2.293 66 H ARG 20 H ARG 20 10.126 -21.121 -4.199 67 HA ARG 20 HA ARG 20 9.574 -19.631 -1.761 68 1HB ARG 20 1HB ARG 20 10.523 -18.849 -4.481 69 2HB ARG 20 2HB ARG 20 9.291 -17.793 -3.819 70 1HG ARG 20 1HG ARG 20 11.751 -18.605 -2.214 71 2HG ARG 20 2HG ARG 20 11.755 -17.209 -3.275 72 1HD ARG 20 1HD ARG 20 9.831 -16.233 -2.014 73 2HD ARG 20 2HD ARG 20 9.793 -17.638 -0.968 74 HE ARG 20 HE ARG 20 12.426 -16.371 -1.047 75 1HH1 ARG 20 2HH2 ARG 20 9.252 -16.282 0.469 76 2HH1 ARG 20 1HH2 ARG 20 9.817 -15.491 1.902 77 1HH2 ARG 20 2HH1 ARG 20 13.173 -15.327 0.843 78 2HH2 ARG 20 1HH1 ARG 20 12.063 -14.944 2.117 79 H ARG 21 H ARG 21 7.423 -19.691 -1.189 80 HA ARG 21 HA ARG 21 5.531 -20.003 -3.376 81 1HB ARG 21 1HB ARG 21 5.755 -21.201 -0.691 82 2HB ARG 21 2HB ARG 21 4.170 -20.499 -0.945 83 1HG ARG 21 1HG ARG 21 3.566 -22.153 -2.385 84 2HG ARG 21 2HG ARG 21 5.028 -21.959 -3.332 85 1HD ARG 21 1HD ARG 21 5.881 -23.166 -0.902 86 2HD ARG 21 2HD ARG 21 4.393 -23.992 -1.323 87 HE ARG 21 HE ARG 21 6.921 -24.067 -2.816 88 1HH1 ARG 21 2HH2 ARG 21 3.448 -24.612 -2.965 89 2HH1 ARG 21 1HH2 ARG 21 3.547 -25.697 -4.312 90 1HH2 ARG 21 2HH1 ARG 21 7.052 -25.498 -4.593 91 2HH2 ARG 21 1HH1 ARG 21 5.611 -26.204 -5.244 92 H HIS 22 H HIS 22 4.194 -18.266 -3.805 93 HA HIS 22 HA HIS 22 3.584 -16.466 -1.602 94 1HB HIS 22 1HB HIS 22 4.030 -14.500 -3.033 95 2HB HIS 22 2HB HIS 22 5.473 -15.407 -2.627 96 HD1 HIS 22 HD1 HIS 22 5.707 -17.519 -4.729 97 HD2 HIS 22 HD2 HIS 22 4.308 -13.663 -5.606 98 HE1 HIS 22 HE1 HIS 22 6.076 -17.177 -7.230 99 H THR 23 H THR 23 1.482 -15.677 -1.658 100 HA THR 23 HA THR 23 -0.081 -16.450 -4.035 101 HB THR 23 HB THR 23 -0.557 -17.908 -2.078 102 HG1 THR 23 HG1 THR 23 -2.532 -15.765 -2.410 103 1HG2 THR 23 1HG2 THR 23 -1.595 -15.428 -0.648 104 2HG2 THR 23 2HG2 THR 23 -1.326 -17.057 0.017 105 3HG2 THR 23 3HG2 THR 23 0.063 -16.009 -0.361 106 H VAL 24 H VAL 24 -1.101 -14.866 -5.096 107 HA VAL 24 HA VAL 24 -1.417 -12.331 -3.640 108 HB VAL 24 HB VAL 24 -0.660 -12.831 -6.524 109 1HG1 VAL 24 1HG1 VAL 24 -0.710 -10.461 -6.888 110 2HG1 VAL 24 2HG1 VAL 24 -2.287 -10.936 -6.214 111 3HG1 VAL 24 3HG1 VAL 24 -1.076 -10.146 -5.175 112 1HG2 VAL 24 1HG2 VAL 24 1.384 -12.917 -5.557 113 2HG2 VAL 24 2HG2 VAL 24 1.220 -11.145 -5.513 114 3HG2 VAL 24 3HG2 VAL 24 0.833 -12.110 -4.069 115 H LYS 25 H LYS 25 -3.416 -11.319 -3.781 116 HA LYS 25 HA LYS 25 -5.464 -12.907 -5.148 117 1HB LYS 25 1HB LYS 25 -7.043 -11.872 -3.595 118 2HB LYS 25 2HB LYS 25 -5.761 -12.706 -2.740 119 1HG LYS 25 1HG LYS 25 -4.952 -9.954 -3.244 120 2HG LYS 25 2HG LYS 25 -6.532 -9.964 -2.487 121 1HD LYS 25 1HD LYS 25 -5.326 -11.821 -0.917 122 2HD LYS 25 2HD LYS 25 -3.898 -10.930 -1.405 123 1HE LYS 25 1HE LYS 25 -5.828 -8.943 -0.756 124 2HE LYS 25 2HE LYS 25 -5.987 -10.161 0.494 125 1HZ LYS 25 1HZ LYS 25 -3.405 -9.027 -0.323 126 2HZ LYS 25 2HZ LYS 25 -4.287 -8.456 0.927 127 3HZ LYS 25 3HZ LYS 25 -3.696 -9.978 0.973 128 H VAL 26 H VAL 26 -6.107 -12.169 -7.092 129 HA VAL 26 HA VAL 26 -6.201 -9.256 -7.431 130 HB VAL 26 HB VAL 26 -5.030 -9.293 -9.361 131 1HG1 VAL 26 1HG1 VAL 26 -3.380 -10.016 -7.837 132 2HG1 VAL 26 2HG1 VAL 26 -4.011 -11.680 -7.808 133 3HG1 VAL 26 3HG1 VAL 26 -3.183 -11.067 -9.260 134 1HG2 VAL 26 1HG2 VAL 26 -6.324 -11.947 -9.782 135 2HG2 VAL 26 2HG2 VAL 26 -6.170 -10.556 -10.881 136 3HG2 VAL 26 3HG2 VAL 26 -4.786 -11.646 -10.625 137 H THR 27 H THR 27 -7.647 -8.705 -9.419 138 HA THR 27 HA THR 27 -10.112 -10.177 -9.036 139 HB THR 27 HB THR 27 -10.116 -7.984 -10.997 140 HG1 THR 27 HG1 THR 27 -8.504 -6.918 -9.890 141 1HG2 THR 27 1HG2 THR 27 -12.062 -7.536 -9.886 142 2HG2 THR 27 2HG2 THR 27 -11.736 -8.951 -8.857 143 3HG2 THR 27 3HG2 THR 27 -11.181 -7.337 -8.353 144 HA PRO 28 HA PRO 28 -9.928 -12.456 -12.665 145 1HB PRO 28 1HB PRO 28 -12.575 -12.798 -13.253 146 2HB PRO 28 2HB PRO 28 -11.733 -13.741 -12.039 147 1HG PRO 28 1HG PRO 28 -13.658 -11.529 -11.662 148 2HG PRO 28 2HG PRO 28 -13.141 -12.743 -10.509 149 1HD PRO 28 1HD PRO 28 -12.293 -10.005 -10.614 150 2HD PRO 28 2HD PRO 28 -11.691 -11.248 -9.535 151 H SER 29 H SER 29 -11.124 -9.325 -12.660 152 HA SER 29 HA SER 29 -11.261 -9.377 -15.563 153 1HB SER 29 1HB SER 29 -12.269 -7.039 -15.227 154 2HB SER 29 2HB SER 29 -13.237 -8.390 -14.671 155 HG SER 29 HG SER 29 -13.205 -6.755 -13.058 156 H THR 30 H THR 30 -9.038 -8.922 -13.128 157 HA THR 30 HA THR 30 -7.776 -6.555 -14.257 158 HB THR 30 HB THR 30 -7.385 -8.332 -11.815 159 HG1 THR 30 HG1 THR 30 -7.722 -5.477 -12.416 160 1HG2 THR 30 1HG2 THR 30 -5.099 -7.685 -12.740 161 2HG2 THR 30 2HG2 THR 30 -5.616 -5.983 -12.670 162 3HG2 THR 30 3HG2 THR 30 -5.472 -6.932 -11.171 163 H VAL 31 H VAL 31 -5.862 -6.493 -15.390 164 HA VAL 31 HA VAL 31 -5.237 -8.914 -16.782 165 HB VAL 31 HB VAL 31 -3.524 -7.402 -17.861 166 1HG1 VAL 31 1HG1 VAL 31 -5.889 -5.840 -18.368 167 2HG1 VAL 31 2HG1 VAL 31 -5.131 -7.096 -19.376 168 3HG1 VAL 31 3HG1 VAL 31 -6.340 -7.548 -18.151 169 1HG2 VAL 31 1HG2 VAL 31 -3.512 -5.852 -15.781 170 2HG2 VAL 31 2HG2 VAL 31 -3.424 -5.113 -17.399 171 3HG2 VAL 31 3HG2 VAL 31 -4.965 -5.123 -16.508 172 H LEU 32 H LEU 32 -3.644 -10.369 -16.340 173 HA LEU 32 HA LEU 32 -2.362 -10.336 -13.884 174 1HB LEU 32 1HB LEU 32 -1.868 -11.851 -16.439 175 2HB LEU 32 2HB LEU 32 -0.912 -12.119 -14.995 176 HG LEU 32 HG LEU 32 -3.908 -12.298 -14.842 177 1HD1 LEU 32 1HD1 LEU 32 -2.977 -14.918 -15.198 178 2HD1 LEU 32 2HD1 LEU 32 -4.004 -13.970 -16.299 179 3HD1 LEU 32 3HD1 LEU 32 -2.237 -13.968 -16.508 180 1HD2 LEU 32 1HD2 LEU 32 -2.398 -12.330 -12.810 181 2HD2 LEU 32 2HD2 LEU 32 -3.519 -13.703 -12.979 182 3HD2 LEU 32 3HD2 LEU 32 -1.798 -13.903 -13.390 183 H LEU 33 H LEU 33 -1.656 -8.644 -16.850 184 HA LEU 33 HA LEU 33 1.120 -8.400 -16.550 185 1HB LEU 33 1HB LEU 33 0.969 -6.693 -18.190 186 2HB LEU 33 2HB LEU 33 -0.143 -7.978 -18.618 187 HG LEU 33 HG LEU 33 -1.893 -6.430 -17.351 188 1HD1 LEU 33 1HD1 LEU 33 -0.182 -4.257 -18.504 189 2HD1 LEU 33 2HD1 LEU 33 -1.468 -4.171 -17.277 190 3HD1 LEU 33 3HD1 LEU 33 0.127 -4.836 -16.850 191 1HD2 LEU 33 1HD2 LEU 33 -1.236 -6.984 -20.021 192 2HD2 LEU 33 2HD2 LEU 33 -2.765 -6.328 -19.389 193 3HD2 LEU 33 3HD2 LEU 33 -1.485 -5.223 -19.944 194 H GLN 34 H GLN 34 -1.663 -6.419 -15.377 195 HA GLN 34 HA GLN 34 -0.020 -4.470 -14.228 196 1HB GLN 34 1HB GLN 34 -2.033 -3.568 -13.312 197 2HB GLN 34 2HB GLN 34 -2.494 -4.273 -14.849 198 1HG GLN 34 1HG GLN 34 -4.077 -5.441 -13.713 199 2HG GLN 34 2HG GLN 34 -2.773 -6.421 -13.073 200 1HE2 GLN 34 2HE2 GLN 34 -4.854 -3.658 -12.529 201 2HE2 GLN 34 1HE2 GLN 34 -4.669 -3.545 -10.810 202 H VAL 35 H VAL 35 -1.447 -7.547 -13.064 203 HA VAL 35 HA VAL 35 -0.744 -7.100 -10.347 204 HB VAL 35 HB VAL 35 -1.756 -9.091 -9.957 205 1HG1 VAL 35 1HG1 VAL 35 -2.847 -8.827 -12.756 206 2HG1 VAL 35 2HG1 VAL 35 -3.697 -9.246 -11.249 207 3HG1 VAL 35 3HG1 VAL 35 -3.155 -7.574 -11.531 208 1HG2 VAL 35 1HG2 VAL 35 -0.887 -10.166 -12.660 209 2HG2 VAL 35 2HG2 VAL 35 -0.004 -10.417 -11.135 210 3HG2 VAL 35 3HG2 VAL 35 -1.644 -11.078 -11.333 211 H LEU 36 H LEU 36 0.665 -9.034 -13.072 212 HA LEU 36 HA LEU 36 2.821 -10.016 -11.596 213 1HB LEU 36 1HB LEU 36 2.101 -11.021 -13.652 214 2HB LEU 36 2HB LEU 36 2.425 -9.553 -14.552 215 HG LEU 36 HG LEU 36 4.786 -9.815 -14.334 216 1HD1 LEU 36 1HD1 LEU 36 4.205 -12.078 -12.405 217 2HD1 LEU 36 2HD1 LEU 36 5.811 -11.679 -13.059 218 3HD1 LEU 36 3HD1 LEU 36 4.953 -10.507 -12.030 219 1HD2 LEU 36 1HD2 LEU 36 4.291 -11.097 -16.141 220 2HD2 LEU 36 2HD2 LEU 36 4.963 -12.370 -15.094 221 3HD2 LEU 36 3HD2 LEU 36 3.199 -12.168 -15.230 222 H GLU 37 H GLU 37 2.286 -6.955 -13.379 223 HA GLU 37 HA GLU 37 4.954 -6.150 -13.299 224 1HB GLU 37 1HB GLU 37 2.322 -4.673 -13.630 225 2HB GLU 37 2HB GLU 37 3.845 -3.807 -13.604 226 1HG GLU 37 1HG GLU 37 3.675 -6.206 -15.411 227 2HG GLU 37 2HG GLU 37 2.763 -4.788 -15.889 228 H ASP 38 H ASP 38 2.147 -5.648 -11.091 229 HA ASP 38 HA ASP 38 3.389 -3.827 -9.431 230 1HB ASP 38 1HB ASP 38 1.059 -5.685 -9.295 231 2HB ASP 38 2HB ASP 38 1.709 -5.223 -7.735 232 H THR 39 H THR 39 2.932 -7.435 -9.149 233 HA THR 39 HA THR 39 4.411 -7.751 -6.798 234 HB THR 39 HB THR 39 4.452 -10.173 -7.621 235 HG1 THR 39 HG1 THR 39 3.853 -10.445 -9.770 236 1HG2 THR 39 1HG2 THR 39 1.703 -9.336 -8.378 237 2HG2 THR 39 2HG2 THR 39 2.228 -10.447 -7.090 238 3HG2 THR 39 3HG2 THR 39 2.234 -8.689 -6.807 239 H CYS 40 H CYS 40 5.404 -7.622 -10.235 240 HA CYS 40 HA CYS 40 8.022 -8.517 -9.744 241 1HB CYS 40 1HB CYS 40 6.651 -7.108 -12.021 242 2HB CYS 40 2HB CYS 40 8.399 -7.230 -12.012 243 HG CYS 40 HG CYS 40 6.360 -9.222 -13.042 244 H ARG 41 H ARG 41 6.333 -5.352 -9.689 245 HA ARG 41 HA ARG 41 8.633 -3.799 -9.591 246 1HB ARG 41 1HB ARG 41 7.097 -2.110 -9.640 247 2HB ARG 41 2HB ARG 41 5.864 -3.355 -9.679 248 1HG ARG 41 1HG ARG 41 5.677 -3.336 -7.231 249 2HG ARG 41 2HG ARG 41 7.048 -2.254 -7.089 250 1HD ARG 41 1HD ARG 41 5.817 -0.388 -7.674 251 2HD ARG 41 2HD ARG 41 4.860 -1.256 -8.857 252 HE ARG 41 HE ARG 41 3.959 -2.329 -6.489 253 1HH1 ARG 41 2HH2 ARG 41 4.369 0.983 -7.604 254 2HH1 ARG 41 1HH2 ARG 41 3.076 1.605 -6.634 255 1HH2 ARG 41 2HH1 ARG 41 2.253 -1.509 -5.209 256 2HH2 ARG 41 1HH1 ARG 41 1.864 0.178 -5.263 257 H ARG 42 H ARG 42 6.428 -5.107 -7.022 258 HA ARG 42 HA ARG 42 7.939 -3.963 -4.948 259 1HB ARG 42 1HB ARG 42 6.542 -5.738 -3.570 260 2HB ARG 42 2HB ARG 42 5.708 -4.399 -4.332 261 1HG ARG 42 1HG ARG 42 5.887 -6.431 -6.327 262 2HG ARG 42 2HG ARG 42 5.439 -7.258 -4.848 263 1HD ARG 42 1HD ARG 42 4.006 -4.794 -5.957 264 2HD ARG 42 2HD ARG 42 3.448 -6.443 -6.157 265 HE ARG 42 HE ARG 42 3.928 -5.608 -3.364 266 1HH1 ARG 42 2HH2 ARG 42 1.588 -6.002 -5.962 267 2HH1 ARG 42 1HH2 ARG 42 0.219 -6.015 -4.900 268 1HH2 ARG 42 2HH1 ARG 42 2.123 -5.626 -1.962 269 2HH2 ARG 42 1HH1 ARG 42 0.526 -5.800 -2.610 270 H GLN 43 H GLN 43 7.839 -7.129 -6.632 271 HA GLN 43 HA GLN 43 9.826 -8.156 -4.798 272 1HB GLN 43 1HB GLN 43 9.233 -10.294 -5.523 273 2HB GLN 43 2HB GLN 43 7.714 -9.440 -5.705 274 1HG GLN 43 1HG GLN 43 8.790 -8.918 -8.154 275 2HG GLN 43 2HG GLN 43 9.601 -10.434 -7.816 276 1HE2 GLN 43 2HE2 GLN 43 8.385 -11.215 -9.637 277 2HE2 GLN 43 1HE2 GLN 43 6.761 -11.783 -9.437 278 H ASP 44 H ASP 44 10.086 -6.005 -7.099 279 HA ASP 44 HA ASP 44 11.367 -5.602 -8.854 280 1HB ASP 44 1HB ASP 44 13.834 -5.876 -8.273 281 2HB ASP 44 2HB ASP 44 12.876 -5.036 -7.069 282 H PHE 45 H PHE 45 10.273 -7.515 -10.082 283 HA PHE 45 HA PHE 45 12.338 -9.491 -10.742 284 1HB PHE 45 1HB PHE 45 9.508 -9.713 -9.817 285 2HB PHE 45 2HB PHE 45 9.796 -10.612 -11.293 286 HD1 PHE 45 HD1 PHE 45 12.281 -10.099 -8.600 287 HD2 PHE 45 HD2 PHE 45 9.580 -12.805 -10.441 288 HE1 PHE 45 HE1 PHE 45 13.258 -11.985 -7.262 289 HE2 PHE 45 HE2 PHE 45 10.556 -14.691 -9.103 290 HZ PHE 45 HZ PHE 45 12.384 -14.258 -7.529 291 H ASN 46 H ASN 46 12.105 -10.412 -12.967 292 HA ASN 46 HA ASN 46 10.765 -8.483 -14.696 293 1HB ASN 46 1HB ASN 46 13.520 -8.981 -14.555 294 2HB ASN 46 2HB ASN 46 13.025 -10.000 -15.892 295 1HD2 ASN 46 2HD2 ASN 46 14.013 -8.801 -17.450 296 2HD2 ASN 46 1HD2 ASN 46 13.487 -7.230 -17.956 297 HA PRO 47 HA PRO 47 8.891 -12.113 -16.308 298 1HB PRO 47 1HB PRO 47 7.849 -11.141 -18.639 299 2HB PRO 47 2HB PRO 47 7.075 -10.928 -17.081 300 1HG PRO 47 1HG PRO 47 8.573 -8.953 -18.692 301 2HG PRO 47 2HG PRO 47 7.453 -8.671 -17.375 302 1HD PRO 47 1HD PRO 47 10.315 -8.523 -17.255 303 2HD PRO 47 2HD PRO 47 9.199 -8.356 -15.913 304 H SER 48 H SER 48 11.050 -10.327 -18.389 305 HA SER 48 HA SER 48 11.341 -12.333 -20.270 306 1HB SER 48 1HB SER 48 12.095 -9.887 -20.401 307 2HB SER 48 2HB SER 48 13.483 -10.336 -19.430 308 HG SER 48 HG SER 48 13.460 -10.415 -21.999 309 H GLU 49 H GLU 49 12.128 -12.345 -16.972 310 HA GLU 49 HA GLU 49 14.139 -14.403 -17.457 311 1HB GLU 49 1HB GLU 49 14.050 -12.255 -15.310 312 2HB GLU 49 2HB GLU 49 14.999 -13.713 -15.100 313 1HG GLU 49 1HG GLU 49 15.419 -12.460 -17.745 314 2HG GLU 49 2HG GLU 49 15.833 -11.389 -16.421 315 H TYR 50 H TYR 50 11.013 -13.695 -16.433 316 HA TYR 50 HA TYR 50 10.910 -16.203 -14.933 317 1HB TYR 50 1HB TYR 50 9.892 -13.394 -14.204 318 2HB TYR 50 2HB TYR 50 9.218 -14.822 -13.443 319 HD1 TYR 50 HD1 TYR 50 11.092 -12.273 -12.547 320 HD2 TYR 50 HD2 TYR 50 11.597 -16.500 -12.976 321 HE1 TYR 50 HE1 TYR 50 12.953 -12.234 -10.815 322 HE2 TYR 50 HE2 TYR 50 13.456 -16.447 -11.242 323 HH TYR 50 HH TYR 50 14.546 -13.370 -9.863 324 H ASP 51 H ASP 51 9.055 -17.415 -15.310 325 HA ASP 51 HA ASP 51 7.042 -16.096 -16.948 326 1HB ASP 51 1HB ASP 51 8.503 -18.706 -17.394 327 2HB ASP 51 2HB ASP 51 6.836 -18.587 -17.922 328 H LEU 52 H LEU 52 4.849 -16.951 -16.595 329 HA LEU 52 HA LEU 52 4.662 -18.759 -14.286 330 1HB LEU 52 1HB LEU 52 2.722 -16.536 -14.888 331 2HB LEU 52 2HB LEU 52 2.830 -17.522 -13.443 332 HG LEU 52 HG LEU 52 5.071 -15.673 -14.266 333 1HD1 LEU 52 1HD1 LEU 52 2.432 -14.900 -13.442 334 2HD1 LEU 52 2HD1 LEU 52 3.601 -14.475 -12.169 335 3HD1 LEU 52 3HD1 LEU 52 3.839 -13.882 -13.831 336 1HD2 LEU 52 1HD2 LEU 52 5.194 -15.727 -11.611 337 2HD2 LEU 52 2HD2 LEU 52 4.383 -17.292 -11.858 338 3HD2 LEU 52 3HD2 LEU 52 5.959 -16.977 -12.623 339 H LYS 53 H LYS 53 3.326 -20.515 -14.508 340 HA LYS 53 HA LYS 53 1.404 -20.514 -16.675 341 1HB LYS 53 1HB LYS 53 3.470 -21.271 -17.764 342 2HB LYS 53 2HB LYS 53 3.676 -22.519 -16.552 343 1HG LYS 53 1HG LYS 53 1.038 -22.421 -18.003 344 2HG LYS 53 2HG LYS 53 2.430 -22.991 -18.902 345 1HD LYS 53 1HD LYS 53 1.657 -24.102 -16.166 346 2HD LYS 53 2HD LYS 53 1.086 -24.796 -17.670 347 1HE LYS 53 1HE LYS 53 4.039 -24.346 -17.515 348 2HE LYS 53 2HE LYS 53 3.409 -25.558 -16.418 349 1HZ LYS 53 1HZ LYS 53 2.612 -25.580 -19.224 350 2HZ LYS 53 2HZ LYS 53 4.036 -26.237 -18.771 351 3HZ LYS 53 3HZ LYS 53 2.638 -26.817 -18.158 352 H PHE 54 H PHE 54 -0.374 -21.822 -16.235 353 HA PHE 54 HA PHE 54 -0.176 -23.366 -13.747 354 1HB PHE 54 1HB PHE 54 -1.595 -21.634 -13.046 355 2HB PHE 54 2HB PHE 54 -1.964 -21.157 -14.691 356 HD1 PHE 54 HD1 PHE 54 -2.639 -24.044 -12.410 357 HD2 PHE 54 HD2 PHE 54 -4.144 -21.408 -15.376 358 HE1 PHE 54 HE1 PHE 54 -4.900 -25.115 -12.214 359 HE2 PHE 54 HE2 PHE 54 -6.406 -22.479 -15.180 360 HZ PHE 54 HZ PHE 54 -6.757 -24.320 -13.602 361 H GLN 55 H GLN 55 -0.412 -25.498 -14.220 362 HA GLN 55 HA GLN 55 -1.090 -27.341 -15.145 363 1HB GLN 55 1HB GLN 55 -3.620 -25.702 -15.554 364 2HB GLN 55 2HB GLN 55 -3.538 -27.402 -15.970 365 1HG GLN 55 1HG GLN 55 -2.709 -27.823 -13.562 366 2HG GLN 55 2HG GLN 55 -3.134 -26.159 -13.215 367 1HE2 GLN 55 2HE2 GLN 55 -4.188 -29.316 -13.305 368 2HE2 GLN 55 1HE2 GLN 55 -5.901 -29.084 -13.205 369 H ARG 56 H ARG 56 -3.309 -26.020 -17.497 370 HA ARG 56 HA ARG 56 -1.267 -26.470 -19.518 371 1HB ARG 56 1HB ARG 56 -4.271 -26.905 -19.475 372 2HB ARG 56 2HB ARG 56 -3.463 -26.669 -21.012 373 1HG ARG 56 1HG ARG 56 -2.775 -28.827 -21.001 374 2HG ARG 56 2HG ARG 56 -1.885 -28.550 -19.516 375 1HD ARG 56 1HD ARG 56 -4.603 -28.707 -18.709 376 2HD ARG 56 2HD ARG 56 -4.421 -29.968 -19.912 377 HE ARG 56 HE ARG 56 -2.243 -29.895 -17.943 378 1HH1 ARG 56 2HH2 ARG 56 -5.428 -31.187 -18.697 379 2HH1 ARG 56 1HH2 ARG 56 -5.272 -32.542 -17.629 380 1HH2 ARG 56 2HH1 ARG 56 -2.036 -31.682 -16.534 381 2HH2 ARG 56 1HH1 ARG 56 -3.330 -32.825 -16.391 382 H THR 57 H THR 57 -2.202 -23.958 -17.860 383 HA THR 57 HA THR 57 -2.642 -22.231 -20.207 384 HB THR 57 HB THR 57 -3.885 -22.278 -17.434 385 HG1 THR 57 HG1 THR 57 -4.739 -21.705 -20.185 386 1HG2 THR 57 1HG2 THR 57 -3.728 -19.988 -17.326 387 2HG2 THR 57 2HG2 THR 57 -3.068 -19.885 -18.976 388 3HG2 THR 57 3HG2 THR 57 -4.828 -19.974 -18.725 389 H VAL 58 H VAL 58 -1.027 -20.881 -20.659 390 HA VAL 58 HA VAL 58 1.119 -20.654 -18.753 391 HB VAL 58 HB VAL 58 2.331 -19.671 -20.520 392 1HG1 VAL 58 1HG1 VAL 58 2.114 -21.294 -22.324 393 2HG1 VAL 58 2HG1 VAL 58 1.883 -22.096 -20.752 394 3HG1 VAL 58 3HG1 VAL 58 0.476 -21.723 -21.776 395 1HG2 VAL 58 1HG2 VAL 58 0.511 -18.064 -21.190 396 2HG2 VAL 58 2HG2 VAL 58 1.409 -18.785 -22.547 397 3HG2 VAL 58 3HG2 VAL 58 -0.218 -19.381 -22.139 398 H LEU 59 H LEU 59 1.741 -18.799 -17.623 399 HA LEU 59 HA LEU 59 -0.212 -16.606 -17.753 400 1HB LEU 59 1HB LEU 59 1.183 -17.902 -15.429 401 2HB LEU 59 2HB LEU 59 0.598 -16.253 -15.323 402 HG LEU 59 HG LEU 59 -1.083 -17.588 -14.367 403 1HD1 LEU 59 1HD1 LEU 59 -2.300 -17.394 -17.086 404 2HD1 LEU 59 2HD1 LEU 59 -2.931 -16.881 -15.502 405 3HD1 LEU 59 3HD1 LEU 59 -1.689 -15.906 -16.324 406 1HD2 LEU 59 1HD2 LEU 59 -0.560 -19.785 -14.941 407 2HD2 LEU 59 2HD2 LEU 59 -2.127 -19.506 -15.738 408 3HD2 LEU 59 3HD2 LEU 59 -0.623 -19.451 -16.689 409 H ASP 60 H ASP 60 0.588 -14.745 -18.551 410 HA ASP 60 HA ASP 60 3.338 -14.124 -17.925 411 1HB ASP 60 1HB ASP 60 2.902 -15.240 -20.326 412 2HB ASP 60 2HB ASP 60 2.362 -13.625 -20.743 413 H LEU 61 H LEU 61 3.214 -11.863 -19.961 414 HA LEU 61 HA LEU 61 1.545 -10.096 -18.373 415 1HB LEU 61 1HB LEU 61 3.604 -9.550 -20.515 416 2HB LEU 61 2HB LEU 61 2.727 -8.320 -19.628 417 HG LEU 61 HG LEU 61 4.642 -10.339 -18.427 418 1HD1 LEU 61 1HD1 LEU 61 5.716 -7.897 -17.919 419 2HD1 LEU 61 2HD1 LEU 61 6.164 -8.932 -19.295 420 3HD1 LEU 61 3HD1 LEU 61 4.985 -7.618 -19.517 421 1HD2 LEU 61 1HD2 LEU 61 3.164 -8.045 -17.108 422 2HD2 LEU 61 2HD2 LEU 61 2.854 -9.781 -16.864 423 3HD2 LEU 61 3HD2 LEU 61 4.402 -9.072 -16.345 424 H SER 62 H SER 62 1.489 -11.892 -21.344 425 HA SER 62 HA SER 62 -0.597 -10.135 -22.354 426 1HB SER 62 1HB SER 62 -0.238 -11.182 -24.527 427 2HB SER 62 2HB SER 62 1.308 -10.659 -23.887 428 HG SER 62 HG SER 62 1.322 -13.026 -22.981 429 H LEU 63 H LEU 63 -1.203 -11.743 -20.087 430 HA LEU 63 HA LEU 63 -3.153 -13.546 -21.297 431 1HB LEU 63 1HB LEU 63 -1.179 -14.280 -19.137 432 2HB LEU 63 2HB LEU 63 -2.658 -15.175 -19.428 433 HG LEU 63 HG LEU 63 -0.911 -16.351 -20.510 434 1HD1 LEU 63 1HD1 LEU 63 -3.139 -15.485 -21.861 435 2HD1 LEU 63 2HD1 LEU 63 -1.826 -15.089 -22.995 436 3HD1 LEU 63 3HD1 LEU 63 -2.021 -16.758 -22.408 437 1HD2 LEU 63 1HD2 LEU 63 0.028 -14.432 -22.460 438 2HD2 LEU 63 2HD2 LEU 63 0.295 -13.839 -20.803 439 3HD2 LEU 63 3HD2 LEU 63 0.945 -15.420 -21.297 440 H GLN 64 H GLN 64 -5.021 -12.511 -20.795 441 HA GLN 64 HA GLN 64 -5.159 -11.213 -18.217 442 1HB GLN 64 1HB GLN 64 -7.055 -11.180 -20.607 443 2HB GLN 64 2HB GLN 64 -7.325 -10.284 -19.125 444 1HG GLN 64 1HG GLN 64 -6.251 -8.646 -20.385 445 2HG GLN 64 2HG GLN 64 -4.865 -9.359 -19.583 446 1HE2 GLN 64 2HE2 GLN 64 -6.752 -9.232 -22.534 447 2HE2 GLN 64 1HE2 GLN 64 -5.548 -9.838 -23.620 448 H TRP 65 H TRP 65 -6.688 -11.767 -16.595 449 HA TRP 65 HA TRP 65 -7.355 -14.483 -16.448 450 1HB TRP 65 1HB TRP 65 -6.940 -13.174 -14.476 451 2HB TRP 65 2HB TRP 65 -8.263 -12.087 -14.849 452 HD1 TRP 65 HD1 TRP 65 -10.632 -14.115 -15.376 453 HE1 TRP 65 HE1 TRP 65 -11.677 -15.643 -13.496 454 HE3 TRP 65 HE3 TRP 65 -6.595 -13.976 -12.287 455 HZ2 TRP 65 HZ2 TRP 65 -10.719 -16.601 -10.984 456 HZ3 TRP 65 HZ3 TRP 65 -6.732 -15.235 -10.140 457 HH2 TRP 65 HH2 TRP 65 -8.704 -16.516 -9.470 458 H ARG 66 H ARG 66 -9.155 -11.499 -17.374 459 HA ARG 66 HA ARG 66 -11.651 -12.614 -17.477 460 1HB ARG 66 1HB ARG 66 -12.163 -10.739 -19.101 461 2HB ARG 66 2HB ARG 66 -11.325 -10.199 -17.659 462 1HG ARG 66 1HG ARG 66 -9.255 -9.927 -18.805 463 2HG ARG 66 2HG ARG 66 -9.738 -10.969 -20.128 464 1HD ARG 66 1HD ARG 66 -10.091 -8.940 -21.181 465 2HD ARG 66 2HD ARG 66 -11.660 -9.084 -20.414 466 HE ARG 66 HE ARG 66 -9.603 -7.778 -18.756 467 1HH1 ARG 66 2HH2 ARG 66 -12.211 -7.331 -21.076 468 2HH1 ARG 66 1HH2 ARG 66 -12.482 -5.676 -20.645 469 1HH2 ARG 66 2HH1 ARG 66 -9.961 -5.594 -18.186 470 2HH2 ARG 66 1HH1 ARG 66 -11.194 -4.681 -18.990 471 H PHE 67 H PHE 67 -8.868 -13.293 -19.390 472 HA PHE 67 HA PHE 67 -10.561 -14.451 -21.492 473 1HB PHE 67 1HB PHE 67 -7.829 -13.113 -21.367 474 2HB PHE 67 2HB PHE 67 -8.077 -14.335 -22.598 475 HD1 PHE 67 HD1 PHE 67 -8.567 -10.917 -21.711 476 HD2 PHE 67 HD2 PHE 67 -10.040 -14.012 -24.213 477 HE1 PHE 67 HE1 PHE 67 -9.644 -9.204 -23.196 478 HE2 PHE 67 HE2 PHE 67 -11.117 -12.299 -25.698 479 HZ PHE 67 HZ PHE 67 -10.906 -9.915 -25.172 480 H ALA 68 H ALA 68 -7.287 -14.850 -19.943 481 HA ALA 68 HA ALA 68 -7.015 -17.525 -20.652 482 1HB ALA 68 1HB ALA 68 -5.617 -17.107 -18.236 483 2HB ALA 68 2HB ALA 68 -4.984 -16.931 -19.891 484 3HB ALA 68 3HB ALA 68 -5.659 -15.520 -19.041 485 H ASN 69 H ASN 69 -9.171 -16.005 -18.439 486 HA ASN 69 HA ASN 69 -10.393 -16.709 -16.770 487 1HB ASN 69 1HB ASN 69 -11.519 -18.982 -17.193 488 2HB ASN 69 2HB ASN 69 -11.627 -17.841 -18.519 489 1HD2 ASN 69 2HD2 ASN 69 -10.404 -18.119 -20.374 490 2HD2 ASN 69 1HD2 ASN 69 -9.647 -19.620 -20.794 491 H LEU 70 H LEU 70 -8.906 -16.824 -14.976 492 HA LEU 70 HA LEU 70 -7.427 -19.303 -14.632 493 1HB LEU 70 1HB LEU 70 -7.301 -16.548 -13.488 494 2HB LEU 70 2HB LEU 70 -6.674 -17.879 -12.537 495 HG LEU 70 HG LEU 70 -4.948 -18.329 -14.029 496 1HD1 LEU 70 1HD1 LEU 70 -6.785 -17.197 -16.072 497 2HD1 LEU 70 2HD1 LEU 70 -5.039 -16.999 -16.355 498 3HD1 LEU 70 3HD1 LEU 70 -5.726 -18.626 -16.135 499 1HD2 LEU 70 1HD2 LEU 70 -4.835 -15.499 -14.771 500 2HD2 LEU 70 2HD2 LEU 70 -5.223 -15.767 -13.055 501 3HD2 LEU 70 3HD2 LEU 70 -3.744 -16.469 -13.753 502 HA PRO 71 HA PRO 71 -10.072 -20.857 -11.597 503 1HB PRO 71 1HB PRO 71 -8.398 -22.035 -9.787 504 2HB PRO 71 2HB PRO 71 -8.821 -22.770 -11.320 505 1HG PRO 71 1HG PRO 71 -6.294 -21.456 -10.528 506 2HG PRO 71 2HG PRO 71 -6.591 -22.549 -11.866 507 1HD PRO 71 1HD PRO 71 -6.291 -19.700 -12.012 508 2HD PRO 71 2HD PRO 71 -6.702 -20.780 -13.330 509 H ASN 72 H ASN 72 -10.709 -21.002 -9.202 510 HA ASN 72 HA ASN 72 -11.187 -18.520 -8.338 511 1HB ASN 72 1HB ASN 72 -11.033 -19.778 -5.926 512 2HB ASN 72 2HB ASN 72 -12.347 -20.065 -7.049 513 1HD2 ASN 72 2HD2 ASN 72 -10.393 -21.582 -5.047 514 2HD2 ASN 72 1HD2 ASN 72 -10.145 -23.108 -5.830 515 H ASN 73 H ASN 73 -8.878 -20.629 -6.484 516 HA ASN 73 HA ASN 73 -7.556 -18.464 -5.374 517 1HB ASN 73 1HB ASN 73 -7.335 -21.401 -5.380 518 2HB ASN 73 2HB ASN 73 -5.749 -20.658 -5.348 519 1HD2 ASN 73 2HD2 ASN 73 -5.217 -19.177 -3.689 520 2HD2 ASN 73 1HD2 ASN 73 -6.007 -19.211 -2.148 521 H ALA 74 H ALA 74 -7.609 -19.475 -8.563 522 HA ALA 74 HA ALA 74 -6.096 -19.582 -10.248 523 1HB ALA 74 1HB ALA 74 -6.091 -17.441 -10.958 524 2HB ALA 74 2HB ALA 74 -6.798 -17.024 -9.379 525 3HB ALA 74 3HB ALA 74 -5.037 -16.922 -9.621 526 H LYS 75 H LYS 75 -4.664 -21.261 -9.456 527 HA LYS 75 HA LYS 75 -2.270 -20.286 -8.106 528 1HB LYS 75 1HB LYS 75 -2.969 -23.163 -8.709 529 2HB LYS 75 2HB LYS 75 -1.842 -22.544 -7.519 530 1HG LYS 75 1HG LYS 75 -4.259 -21.276 -6.844 531 2HG LYS 75 2HG LYS 75 -4.766 -22.883 -7.326 532 1HD LYS 75 1HD LYS 75 -2.760 -22.142 -5.157 533 2HD LYS 75 2HD LYS 75 -4.287 -22.979 -4.958 534 1HE LYS 75 1HE LYS 75 -2.777 -24.505 -6.854 535 2HE LYS 75 2HE LYS 75 -1.667 -24.091 -5.563 536 1HZ LYS 75 1HZ LYS 75 -4.039 -24.812 -4.372 537 2HZ LYS 75 2HZ LYS 75 -3.758 -25.936 -5.522 538 3HZ LYS 75 3HZ LYS 75 -2.636 -25.647 -4.372 539 H LEU 76 H LEU 76 -0.434 -19.856 -9.208 540 HA LEU 76 HA LEU 76 -0.201 -21.063 -11.876 541 1HB LEU 76 1HB LEU 76 1.077 -18.442 -11.328 542 2HB LEU 76 2HB LEU 76 0.436 -19.099 -12.821 543 HG LEU 76 HG LEU 76 -1.028 -17.374 -12.367 544 1HD1 LEU 76 1HD1 LEU 76 -2.946 -18.493 -12.496 545 2HD1 LEU 76 2HD1 LEU 76 -2.010 -19.968 -12.153 546 3HD1 LEU 76 3HD1 LEU 76 -2.801 -19.087 -10.824 547 1HD2 LEU 76 1HD2 LEU 76 -1.974 -17.571 -9.738 548 2HD2 LEU 76 2HD2 LEU 76 -0.212 -17.795 -9.623 549 3HD2 LEU 76 3HD2 LEU 76 -0.875 -16.341 -10.407 550 H GLU 77 H GLU 77 2.011 -21.510 -12.585 551 HA GLU 77 HA GLU 77 3.672 -22.057 -10.263 552 1HB GLU 77 1HB GLU 77 4.056 -24.069 -11.209 553 2HB GLU 77 2HB GLU 77 2.877 -23.663 -12.440 554 1HG GLU 77 1HG GLU 77 4.653 -22.622 -13.833 555 2HG GLU 77 2HG GLU 77 5.844 -22.944 -12.588 556 H MET 78 H MET 78 5.711 -21.146 -10.044 557 HA MET 78 HA MET 78 6.323 -19.081 -11.941 558 1HB MET 78 1HB MET 78 6.620 -19.429 -9.164 559 2HB MET 78 2HB MET 78 8.260 -19.630 -9.747 560 1HG MET 78 1HG MET 78 7.587 -17.424 -11.189 561 2HG MET 78 2HG MET 78 6.495 -17.195 -9.838 562 1HE MET 78 1HE MET 78 9.616 -15.580 -10.792 563 2HE MET 78 2HE MET 78 10.917 -16.531 -10.036 564 3HE MET 78 3HE MET 78 9.863 -17.280 -11.258 565 H VAL 79 H VAL 79 7.981 -19.109 -13.444 566 HA VAL 79 HA VAL 79 10.029 -21.149 -13.194 567 HB VAL 79 HB VAL 79 7.929 -21.951 -14.520 568 1HG1 VAL 79 1HG1 VAL 79 8.013 -21.430 -16.918 569 2HG1 VAL 79 2HG1 VAL 79 7.728 -19.965 -15.949 570 3HG1 VAL 79 3HG1 VAL 79 9.342 -20.283 -16.629 571 1HG2 VAL 79 1HG2 VAL 79 9.258 -23.537 -15.506 572 2HG2 VAL 79 2HG2 VAL 79 10.448 -22.346 -16.084 573 3HG2 VAL 79 3HG2 VAL 79 10.437 -22.834 -14.372 574 HA PRO 80 HA PRO 80 12.229 -17.717 -14.680 575 1HB PRO 80 1HB PRO 80 14.698 -18.867 -14.903 576 2HB PRO 80 2HB PRO 80 14.061 -18.252 -13.391 577 1HG PRO 80 1HG PRO 80 14.341 -21.058 -14.280 578 2HG PRO 80 2HG PRO 80 14.116 -20.438 -12.656 579 1HD PRO 80 1HD PRO 80 12.127 -21.675 -14.311 580 2HD PRO 80 2HD PRO 80 11.877 -20.952 -12.735 581 H VAL 81 H VAL 81 12.450 -16.682 -16.578 582 HA VAL 81 HA VAL 81 13.664 -17.578 -18.779 583 HB VAL 81 HB VAL 81 11.463 -18.342 -20.072 584 1HG1 VAL 81 1HG1 VAL 81 13.758 -19.654 -18.899 585 2HG1 VAL 81 2HG1 VAL 81 12.356 -20.751 -18.912 586 3HG1 VAL 81 3HG1 VAL 81 12.913 -20.000 -20.427 587 1HG2 VAL 81 1HG2 VAL 81 10.863 -20.049 -17.788 588 2HG2 VAL 81 2HG2 VAL 81 10.534 -18.335 -17.439 589 3HG2 VAL 81 3HG2 VAL 81 9.767 -19.121 -18.840 590 H SER 82 H SER 82 11.803 -16.838 -20.864 591 HA SER 82 HA SER 82 11.305 -14.093 -20.014 592 1HB SER 82 1HB SER 82 11.897 -15.087 -22.836 593 2HB SER 82 2HB SER 82 11.731 -13.415 -22.339 594 HG SER 82 HG SER 82 13.743 -15.221 -21.298 595 H ARG 83 H ARG 83 9.501 -12.992 -21.389 596 HA ARG 83 HA ARG 83 7.148 -14.039 -20.932 597 1HB ARG 83 1HB ARG 83 6.244 -12.653 -22.804 598 2HB ARG 83 2HB ARG 83 7.477 -11.788 -21.908 599 1HG ARG 83 1HG ARG 83 9.060 -12.982 -23.783 600 2HG ARG 83 2HG ARG 83 7.570 -12.883 -24.699 601 1HD ARG 83 1HD ARG 83 7.568 -10.545 -24.726 602 2HD ARG 83 2HD ARG 83 8.401 -10.415 -23.190 603 HE ARG 83 HE ARG 83 10.455 -10.487 -24.316 604 1HH1 ARG 83 2HH2 ARG 83 7.911 -11.609 -26.472 605 2HH1 ARG 83 1HH2 ARG 83 8.940 -11.665 -27.864 606 1HH2 ARG 83 2HH1 ARG 83 11.813 -10.559 -26.152 607 2HH2 ARG 83 1HH1 ARG 83 11.174 -11.063 -27.681 608 H SER 84 H SER 84 6.371 -16.092 -21.337 609 HA SER 84 HA SER 84 5.553 -17.739 -22.534 610 1HB SER 84 1HB SER 84 5.844 -15.842 -24.542 611 2HB SER 84 2HB SER 84 6.817 -17.165 -25.154 612 HG SER 84 HG SER 84 4.644 -18.378 -24.286 613 H ARG 85 H ARG 85 8.752 -16.863 -24.053 614 HA ARG 85 HA ARG 85 9.616 -19.545 -23.318 615 1HB ARG 85 1HB ARG 85 10.344 -17.750 -25.670 616 2HB ARG 85 2HB ARG 85 11.387 -19.078 -25.202 617 1HG ARG 85 1HG ARG 85 10.072 -20.419 -26.480 618 2HG ARG 85 2HG ARG 85 8.846 -20.261 -25.238 619 1HD ARG 85 1HD ARG 85 7.653 -19.535 -27.119 620 2HD ARG 85 2HD ARG 85 8.236 -18.004 -26.497 621 HE ARG 85 HE ARG 85 9.643 -17.797 -28.363 622 1HH1 ARG 85 2HH2 ARG 85 8.511 -21.120 -28.119 623 2HH1 ARG 85 1HH2 ARG 85 9.158 -21.588 -29.655 624 1HH2 ARG 85 2HH1 ARG 85 10.498 -18.414 -30.390 625 2HH2 ARG 85 1HH1 ARG 85 10.296 -20.039 -30.956 Start of MODEL 18 1 H SER 10 H SER 10 -11.830 -12.516 -6.641 2 HA SER 10 HA SER 10 -11.113 -15.267 -7.277 3 1HB SER 10 1HB SER 10 -10.661 -12.654 -8.771 4 2HB SER 10 2HB SER 10 -9.822 -14.130 -9.203 5 HG SER 10 HG SER 10 -12.698 -13.773 -9.129 6 H ALA 11 H ALA 11 -8.824 -15.865 -7.216 7 HA ALA 11 HA ALA 11 -7.017 -13.927 -6.034 8 1HB ALA 11 1HB ALA 11 -6.453 -16.013 -4.411 9 2HB ALA 11 2HB ALA 11 -7.603 -14.728 -3.968 10 3HB ALA 11 3HB ALA 11 -8.202 -16.273 -4.617 11 H VAL 12 H VAL 12 -4.837 -14.366 -6.533 12 HA VAL 12 HA VAL 12 -4.464 -16.715 -8.262 13 HB VAL 12 HB VAL 12 -4.151 -13.929 -8.797 14 1HG1 VAL 12 1HG1 VAL 12 -1.805 -14.041 -9.746 15 2HG1 VAL 12 2HG1 VAL 12 -1.913 -13.965 -7.971 16 3HG1 VAL 12 3HG1 VAL 12 -1.567 -15.515 -8.776 17 1HG2 VAL 12 1HG2 VAL 12 -3.697 -16.485 -10.352 18 2HG2 VAL 12 2HG2 VAL 12 -5.072 -15.358 -10.440 19 3HG2 VAL 12 3HG2 VAL 12 -3.483 -14.873 -11.078 20 H SER 13 H SER 13 -2.825 -18.098 -7.720 21 HA SER 13 HA SER 13 -1.049 -17.142 -5.612 22 1HB SER 13 1HB SER 13 -2.767 -18.869 -4.883 23 2HB SER 13 2HB SER 13 -2.025 -20.006 -5.991 24 HG SER 13 HG SER 13 -0.398 -20.323 -4.622 25 H VAL 14 H VAL 14 1.143 -17.333 -6.041 26 HA VAL 14 HA VAL 14 1.858 -18.968 -8.379 27 HB VAL 14 HB VAL 14 3.654 -16.759 -7.712 28 1HG1 VAL 14 1HG1 VAL 14 3.942 -16.648 -9.993 29 2HG1 VAL 14 2HG1 VAL 14 3.408 -18.338 -9.820 30 3HG1 VAL 14 3HG1 VAL 14 2.253 -17.088 -10.342 31 1HG2 VAL 14 1HG2 VAL 14 2.127 -15.024 -8.742 32 2HG2 VAL 14 2HG2 VAL 14 0.784 -16.163 -8.484 33 3HG2 VAL 14 3HG2 VAL 14 1.699 -15.537 -7.092 34 H LEU 15 H LEU 15 3.045 -20.710 -7.817 35 HA LEU 15 HA LEU 15 4.595 -20.505 -5.336 36 1HB LEU 15 1HB LEU 15 4.249 -22.747 -4.965 37 2HB LEU 15 2HB LEU 15 2.708 -22.202 -5.596 38 HG LEU 15 HG LEU 15 3.203 -24.328 -6.561 39 1HD1 LEU 15 1HD1 LEU 15 3.204 -23.816 -8.967 40 2HD1 LEU 15 2HD1 LEU 15 2.114 -22.746 -8.051 41 3HD1 LEU 15 3HD1 LEU 15 3.695 -22.143 -8.604 42 1HD2 LEU 15 1HD2 LEU 15 5.264 -25.059 -6.921 43 2HD2 LEU 15 2HD2 LEU 15 5.526 -23.808 -8.160 44 3HD2 LEU 15 3HD2 LEU 15 5.896 -23.462 -6.453 45 H ALA 16 H ALA 16 6.773 -20.418 -5.476 46 HA ALA 16 HA ALA 16 7.946 -20.782 -8.105 47 1HB ALA 16 1HB ALA 16 9.860 -19.659 -7.150 48 2HB ALA 16 2HB ALA 16 8.401 -18.781 -6.631 49 3HB ALA 16 3HB ALA 16 9.230 -19.877 -5.499 50 HA PRO 17 HA PRO 17 9.379 -24.747 -7.076 51 1HB PRO 17 1HB PRO 17 11.070 -25.154 -9.184 52 2HB PRO 17 2HB PRO 17 9.338 -25.404 -9.283 53 1HG PRO 17 1HG PRO 17 10.955 -23.180 -10.368 54 2HG PRO 17 2HG PRO 17 9.330 -23.670 -10.804 55 1HD PRO 17 1HD PRO 17 10.067 -21.434 -9.165 56 2HD PRO 17 2HD PRO 17 8.441 -21.993 -9.506 57 H ASN 18 H ASN 18 11.190 -21.968 -6.962 58 HA ASN 18 HA ASN 18 13.647 -23.251 -6.369 59 1HB ASN 18 1HB ASN 18 14.292 -20.877 -5.616 60 2HB ASN 18 2HB ASN 18 13.766 -21.012 -7.282 61 1HD2 ASN 18 2HD2 ASN 18 13.567 -18.622 -6.649 62 2HD2 ASN 18 1HD2 ASN 18 12.001 -18.082 -6.143 63 H GLY 19 H GLY 19 10.744 -23.157 -4.761 64 1HA GLY 19 1HA GLY 19 10.466 -24.029 -2.609 65 2HA GLY 19 2HA GLY 19 12.034 -23.404 -2.136 66 H ARG 20 H ARG 20 10.124 -21.207 -4.058 67 HA ARG 20 HA ARG 20 9.492 -19.776 -1.605 68 1HB ARG 20 1HB ARG 20 10.383 -18.891 -4.350 69 2HB ARG 20 2HB ARG 20 9.320 -17.816 -3.464 70 1HG ARG 20 1HG ARG 20 11.453 -18.847 -1.730 71 2HG ARG 20 2HG ARG 20 12.121 -18.067 -3.150 72 1HD ARG 20 1HD ARG 20 11.578 -16.002 -2.364 73 2HD ARG 20 2HD ARG 20 9.910 -16.472 -2.105 74 HE ARG 20 HE ARG 20 11.180 -17.691 0.007 75 1HH1 ARG 20 2HH2 ARG 20 11.254 -14.399 -1.232 76 2HH1 ARG 20 1HH2 ARG 20 11.570 -13.688 0.315 77 1HH2 ARG 20 2HH1 ARG 20 11.597 -16.754 2.049 78 2HH2 ARG 20 1HH1 ARG 20 11.767 -15.036 2.194 79 H ARG 21 H ARG 21 7.322 -19.835 -1.109 80 HA ARG 21 HA ARG 21 5.505 -20.087 -3.365 81 1HB ARG 21 1HB ARG 21 5.708 -21.542 -0.910 82 2HB ARG 21 2HB ARG 21 4.251 -20.578 -0.771 83 1HG ARG 21 1HG ARG 21 3.194 -22.126 -2.048 84 2HG ARG 21 2HG ARG 21 4.152 -21.576 -3.408 85 1HD ARG 21 1HD ARG 21 5.279 -23.546 -3.456 86 2HD ARG 21 2HD ARG 21 5.811 -23.317 -1.803 87 HE ARG 21 HE ARG 21 3.506 -24.918 -2.701 88 1HH1 ARG 21 2HH2 ARG 21 5.108 -23.368 0.022 89 2HH1 ARG 21 1HH2 ARG 21 4.325 -24.356 1.210 90 1HH2 ARG 21 2HH1 ARG 21 2.473 -26.222 -1.134 91 2HH2 ARG 21 1HH1 ARG 21 2.816 -25.990 0.548 92 H HIS 22 H HIS 22 4.251 -18.300 -3.822 93 HA HIS 22 HA HIS 22 3.524 -16.569 -1.600 94 1HB HIS 22 1HB HIS 22 4.138 -14.560 -2.820 95 2HB HIS 22 2HB HIS 22 5.540 -15.574 -2.542 96 HD1 HIS 22 HD1 HIS 22 5.664 -17.456 -4.844 97 HD2 HIS 22 HD2 HIS 22 4.378 -13.490 -5.308 98 HE1 HIS 22 HE1 HIS 22 5.995 -16.880 -7.308 99 H THR 23 H THR 23 1.434 -15.772 -1.753 100 HA THR 23 HA THR 23 0.025 -16.416 -4.261 101 HB THR 23 HB THR 23 -0.628 -17.968 -2.463 102 HG1 THR 23 HG1 THR 23 -2.490 -15.710 -2.670 103 1HG2 THR 23 1HG2 THR 23 0.029 -16.368 -0.538 104 2HG2 THR 23 2HG2 THR 23 -1.493 -15.506 -0.870 105 3HG2 THR 23 3HG2 THR 23 -1.529 -17.207 -0.345 106 H VAL 24 H VAL 24 -0.849 -14.754 -5.325 107 HA VAL 24 HA VAL 24 -1.292 -12.302 -3.764 108 HB VAL 24 HB VAL 24 -0.351 -12.588 -6.625 109 1HG1 VAL 24 1HG1 VAL 24 -1.860 -10.616 -6.106 110 2HG1 VAL 24 2HG1 VAL 24 -0.591 -10.043 -4.997 111 3HG1 VAL 24 3HG1 VAL 24 -0.245 -10.211 -6.735 112 1HG2 VAL 24 1HG2 VAL 24 1.610 -11.202 -5.385 113 2HG2 VAL 24 2HG2 VAL 24 1.066 -12.231 -4.038 114 3HG2 VAL 24 3HG2 VAL 24 1.616 -12.974 -5.559 115 H LYS 25 H LYS 25 -3.351 -11.537 -3.781 116 HA LYS 25 HA LYS 25 -5.308 -13.024 -5.248 117 1HB LYS 25 1HB LYS 25 -6.910 -11.801 -3.990 118 2HB LYS 25 2HB LYS 25 -5.596 -12.192 -2.899 119 1HG LYS 25 1HG LYS 25 -5.573 -9.551 -4.390 120 2HG LYS 25 2HG LYS 25 -6.566 -9.730 -2.957 121 1HD LYS 25 1HD LYS 25 -4.189 -10.809 -2.063 122 2HD LYS 25 2HD LYS 25 -3.594 -9.618 -3.203 123 1HE LYS 25 1HE LYS 25 -4.739 -7.810 -2.058 124 2HE LYS 25 2HE LYS 25 -5.674 -8.926 -1.084 125 1HZ LYS 25 1HZ LYS 25 -4.042 -8.965 0.369 126 2HZ LYS 25 2HZ LYS 25 -2.957 -9.463 -0.745 127 3HZ LYS 25 3HZ LYS 25 -3.205 -7.867 -0.504 128 H VAL 26 H VAL 26 -6.320 -12.490 -7.141 129 HA VAL 26 HA VAL 26 -5.800 -9.804 -8.189 130 HB VAL 26 HB VAL 26 -5.234 -10.658 -10.326 131 1HG1 VAL 26 1HG1 VAL 26 -3.308 -10.554 -8.961 132 2HG1 VAL 26 2HG1 VAL 26 -3.753 -12.031 -8.074 133 3HG1 VAL 26 3HG1 VAL 26 -3.220 -12.137 -9.769 134 1HG2 VAL 26 1HG2 VAL 26 -5.014 -13.191 -10.657 135 2HG2 VAL 26 2HG2 VAL 26 -6.034 -13.351 -9.208 136 3HG2 VAL 26 3HG2 VAL 26 -6.659 -12.511 -10.647 137 H THR 27 H THR 27 -7.330 -9.387 -10.148 138 HA THR 27 HA THR 27 -9.965 -10.435 -9.375 139 HB THR 27 HB THR 27 -9.976 -8.126 -11.162 140 HG1 THR 27 HG1 THR 27 -8.678 -6.782 -9.751 141 1HG2 THR 27 1HG2 THR 27 -10.484 -7.548 -8.333 142 2HG2 THR 27 2HG2 THR 27 -11.621 -7.501 -9.701 143 3HG2 THR 27 3HG2 THR 27 -11.335 -9.028 -8.834 144 HA PRO 28 HA PRO 28 -10.395 -12.427 -13.149 145 1HB PRO 28 1HB PRO 28 -13.108 -12.433 -13.477 146 2HB PRO 28 2HB PRO 28 -12.268 -13.555 -12.425 147 1HG PRO 28 1HG PRO 28 -13.878 -11.185 -11.699 148 2HG PRO 28 2HG PRO 28 -13.396 -12.535 -10.692 149 1HD PRO 28 1HD PRO 28 -12.252 -9.905 -10.698 150 2HD PRO 28 2HD PRO 28 -11.696 -11.287 -9.776 151 H SER 29 H SER 29 -11.210 -9.195 -12.806 152 HA SER 29 HA SER 29 -11.496 -9.015 -15.702 153 1HB SER 29 1HB SER 29 -12.428 -6.666 -15.116 154 2HB SER 29 2HB SER 29 -13.444 -8.054 -14.778 155 HG SER 29 HG SER 29 -13.191 -7.794 -12.622 156 H THR 30 H THR 30 -9.299 -8.703 -13.173 157 HA THR 30 HA THR 30 -7.981 -6.322 -14.206 158 HB THR 30 HB THR 30 -7.719 -8.148 -11.789 159 HG1 THR 30 HG1 THR 30 -9.123 -6.121 -12.123 160 1HG2 THR 30 1HG2 THR 30 -5.384 -7.490 -12.799 161 2HG2 THR 30 2HG2 THR 30 -5.837 -5.824 -12.369 162 3HG2 THR 30 3HG2 THR 30 -5.700 -7.065 -11.100 163 H VAL 31 H VAL 31 -6.038 -6.255 -15.287 164 HA VAL 31 HA VAL 31 -5.402 -8.648 -16.721 165 HB VAL 31 HB VAL 31 -3.688 -7.159 -17.766 166 1HG1 VAL 31 1HG1 VAL 31 -6.083 -5.499 -18.043 167 2HG1 VAL 31 2HG1 VAL 31 -5.258 -6.530 -19.237 168 3HG1 VAL 31 3HG1 VAL 31 -6.440 -7.242 -18.112 169 1HG2 VAL 31 1HG2 VAL 31 -4.970 -4.900 -16.215 170 2HG2 VAL 31 2HG2 VAL 31 -3.479 -5.704 -15.668 171 3HG2 VAL 31 3HG2 VAL 31 -3.514 -4.864 -17.237 172 H LEU 32 H LEU 32 -3.826 -10.124 -16.284 173 HA LEU 32 HA LEU 32 -2.591 -10.124 -13.786 174 1HB LEU 32 1HB LEU 32 -2.159 -11.686 -16.322 175 2HB LEU 32 2HB LEU 32 -1.184 -11.960 -14.892 176 HG LEU 32 HG LEU 32 -4.164 -12.032 -14.609 177 1HD1 LEU 32 1HD1 LEU 32 -3.328 -14.682 -15.137 178 2HD1 LEU 32 2HD1 LEU 32 -4.475 -13.680 -16.058 179 3HD1 LEU 32 3HD1 LEU 32 -2.747 -13.675 -16.485 180 1HD2 LEU 32 1HD2 LEU 32 -2.174 -12.358 -12.825 181 2HD2 LEU 32 2HD2 LEU 32 -3.762 -13.151 -12.688 182 3HD2 LEU 32 3HD2 LEU 32 -2.377 -14.043 -13.362 183 H LEU 33 H LEU 33 -1.808 -8.492 -16.768 184 HA LEU 33 HA LEU 33 0.970 -8.341 -16.466 185 1HB LEU 33 1HB LEU 33 0.872 -6.608 -18.095 186 2HB LEU 33 2HB LEU 33 -0.258 -7.874 -18.535 187 HG LEU 33 HG LEU 33 -1.975 -6.280 -17.248 188 1HD1 LEU 33 1HD1 LEU 33 0.027 -4.299 -18.361 189 2HD1 LEU 33 2HD1 LEU 33 -1.517 -3.945 -17.548 190 3HD1 LEU 33 3HD1 LEU 33 -0.175 -4.669 -16.631 191 1HD2 LEU 33 1HD2 LEU 33 -2.486 -5.236 -19.477 192 2HD2 LEU 33 2HD2 LEU 33 -1.014 -6.015 -20.104 193 3HD2 LEU 33 3HD2 LEU 33 -2.351 -7.011 -19.482 194 H GLN 34 H GLN 34 -1.741 -6.296 -15.249 195 HA GLN 34 HA GLN 34 -0.040 -4.381 -14.128 196 1HB GLN 34 1HB GLN 34 -2.030 -3.480 -13.112 197 2HB GLN 34 2HB GLN 34 -2.493 -4.083 -14.691 198 1HG GLN 34 1HG GLN 34 -4.050 -5.405 -13.713 199 2HG GLN 34 2HG GLN 34 -2.773 -6.292 -12.905 200 1HE2 GLN 34 2HE2 GLN 34 -2.027 -5.585 -10.846 201 2HE2 GLN 34 1HE2 GLN 34 -3.058 -4.705 -9.768 202 H VAL 35 H VAL 35 -1.501 -7.435 -12.941 203 HA VAL 35 HA VAL 35 -0.726 -7.009 -10.240 204 HB VAL 35 HB VAL 35 -1.761 -8.989 -9.829 205 1HG1 VAL 35 1HG1 VAL 35 -2.923 -8.604 -12.593 206 2HG1 VAL 35 2HG1 VAL 35 -3.740 -9.124 -11.099 207 3HG1 VAL 35 3HG1 VAL 35 -3.206 -7.436 -11.280 208 1HG2 VAL 35 1HG2 VAL 35 -1.721 -10.968 -11.194 209 2HG2 VAL 35 2HG2 VAL 35 -1.056 -10.066 -12.577 210 3HG2 VAL 35 3HG2 VAL 35 -0.066 -10.318 -11.120 211 H LEU 36 H LEU 36 0.588 -8.927 -13.019 212 HA LEU 36 HA LEU 36 2.753 -9.974 -11.592 213 1HB LEU 36 1HB LEU 36 1.912 -10.919 -13.661 214 2HB LEU 36 2HB LEU 36 2.361 -9.474 -14.544 215 HG LEU 36 HG LEU 36 4.677 -9.928 -14.351 216 1HD1 LEU 36 1HD1 LEU 36 5.477 -11.967 -13.035 217 2HD1 LEU 36 2HD1 LEU 36 4.990 -10.530 -12.104 218 3HD1 LEU 36 3HD1 LEU 36 3.890 -11.924 -12.229 219 1HD2 LEU 36 1HD2 LEU 36 3.148 -12.478 -14.919 220 2HD2 LEU 36 2HD2 LEU 36 3.661 -11.230 -16.079 221 3HD2 LEU 36 3HD2 LEU 36 4.877 -12.247 -15.271 222 H GLU 37 H GLU 37 2.284 -6.934 -13.453 223 HA GLU 37 HA GLU 37 4.962 -6.183 -13.372 224 1HB GLU 37 1HB GLU 37 2.376 -4.617 -13.703 225 2HB GLU 37 2HB GLU 37 3.943 -3.834 -13.763 226 1HG GLU 37 1HG GLU 37 3.576 -6.290 -15.463 227 2HG GLU 37 2HG GLU 37 2.736 -4.838 -15.970 228 H ASP 38 H ASP 38 2.174 -5.608 -11.163 229 HA ASP 38 HA ASP 38 3.445 -3.764 -9.546 230 1HB ASP 38 1HB ASP 38 1.145 -5.691 -9.242 231 2HB ASP 38 2HB ASP 38 1.762 -4.934 -7.787 232 H THR 39 H THR 39 2.936 -7.359 -9.190 233 HA THR 39 HA THR 39 4.409 -7.657 -6.837 234 HB THR 39 HB THR 39 3.909 -9.634 -9.124 235 HG1 THR 39 HG1 THR 39 2.473 -8.816 -6.696 236 1HG2 THR 39 1HG2 THR 39 3.589 -10.886 -6.635 237 2HG2 THR 39 2HG2 THR 39 4.997 -11.078 -7.707 238 3HG2 THR 39 3HG2 THR 39 5.034 -9.875 -6.396 239 H CYS 40 H CYS 40 5.421 -7.462 -10.249 240 HA CYS 40 HA CYS 40 8.014 -8.442 -9.796 241 1HB CYS 40 1HB CYS 40 6.678 -6.904 -12.006 242 2HB CYS 40 2HB CYS 40 8.425 -7.047 -11.999 243 HG CYS 40 HG CYS 40 6.539 -8.916 -13.287 244 H ARG 41 H ARG 41 6.405 -5.242 -9.592 245 HA ARG 41 HA ARG 41 8.758 -3.766 -9.402 246 1HB ARG 41 1HB ARG 41 7.286 -2.019 -9.403 247 2HB ARG 41 2HB ARG 41 6.016 -3.218 -9.550 248 1HG ARG 41 1HG ARG 41 5.620 -3.255 -7.177 249 2HG ARG 41 2HG ARG 41 7.129 -2.436 -6.828 250 1HD ARG 41 1HD ARG 41 5.738 -0.597 -6.667 251 2HD ARG 41 2HD ARG 41 6.010 -0.528 -8.397 252 HE ARG 41 HE ARG 41 3.774 -2.270 -7.720 253 1HH1 ARG 41 2HH2 ARG 41 4.705 1.087 -8.216 254 2HH1 ARG 41 1HH2 ARG 41 3.104 1.604 -8.626 255 1HH2 ARG 41 2HH1 ARG 41 1.661 -1.589 -8.261 256 2HH2 ARG 41 1HH1 ARG 41 1.361 0.072 -8.652 257 H ARG 42 H ARG 42 6.450 -5.098 -6.937 258 HA ARG 42 HA ARG 42 7.972 -4.095 -4.791 259 1HB ARG 42 1HB ARG 42 6.448 -5.837 -3.505 260 2HB ARG 42 2HB ARG 42 5.709 -4.423 -4.229 261 1HG ARG 42 1HG ARG 42 5.861 -6.477 -6.255 262 2HG ARG 42 2HG ARG 42 5.191 -7.200 -4.806 263 1HD ARG 42 1HD ARG 42 4.166 -4.587 -6.014 264 2HD ARG 42 2HD ARG 42 3.465 -6.155 -6.361 265 HE ARG 42 HE ARG 42 3.441 -6.118 -3.613 266 1HH1 ARG 42 2HH2 ARG 42 2.337 -3.810 -6.030 267 2HH1 ARG 42 1HH2 ARG 42 1.076 -3.172 -5.029 268 1HH2 ARG 42 2HH1 ARG 42 1.777 -5.275 -2.292 269 2HH2 ARG 42 1HH1 ARG 42 0.755 -4.010 -2.889 270 H GLN 43 H GLN 43 7.719 -7.195 -6.581 271 HA GLN 43 HA GLN 43 9.591 -8.408 -4.745 272 1HB GLN 43 1HB GLN 43 8.829 -10.448 -5.507 273 2HB GLN 43 2HB GLN 43 7.422 -9.481 -5.899 274 1HG GLN 43 1HG GLN 43 8.430 -9.108 -8.221 275 2HG GLN 43 2HG GLN 43 9.677 -10.266 -7.800 276 1HE2 GLN 43 2HE2 GLN 43 7.001 -9.975 -9.502 277 2HE2 GLN 43 1HE2 GLN 43 6.293 -11.551 -9.381 278 H ASP 44 H ASP 44 9.952 -6.216 -7.074 279 HA ASP 44 HA ASP 44 11.343 -5.804 -8.725 280 1HB ASP 44 1HB ASP 44 13.795 -6.312 -8.059 281 2HB ASP 44 2HB ASP 44 12.858 -5.313 -6.966 282 H PHE 45 H PHE 45 10.160 -7.693 -9.972 283 HA PHE 45 HA PHE 45 12.182 -9.702 -10.670 284 1HB PHE 45 1HB PHE 45 9.328 -9.856 -9.792 285 2HB PHE 45 2HB PHE 45 9.625 -10.746 -11.272 286 HD1 PHE 45 HD1 PHE 45 12.047 -10.321 -8.504 287 HD2 PHE 45 HD2 PHE 45 9.352 -12.947 -10.466 288 HE1 PHE 45 HE1 PHE 45 12.948 -12.244 -7.167 289 HE2 PHE 45 HE2 PHE 45 10.252 -14.870 -9.128 290 HZ PHE 45 HZ PHE 45 12.040 -14.496 -7.495 291 H ASN 46 H ASN 46 11.944 -10.567 -12.917 292 HA ASN 46 HA ASN 46 10.688 -8.556 -14.616 293 1HB ASN 46 1HB ASN 46 13.372 -9.958 -14.805 294 2HB ASN 46 2HB ASN 46 12.572 -9.485 -16.290 295 1HD2 ASN 46 2HD2 ASN 46 14.218 -8.020 -16.739 296 2HD2 ASN 46 1HD2 ASN 46 14.350 -6.483 -15.951 297 HA PRO 47 HA PRO 47 8.682 -12.084 -16.299 298 1HB PRO 47 1HB PRO 47 7.647 -11.009 -18.588 299 2HB PRO 47 2HB PRO 47 6.895 -10.822 -17.017 300 1HG PRO 47 1HG PRO 47 8.436 -8.843 -18.582 301 2HG PRO 47 2HG PRO 47 7.336 -8.570 -17.245 302 1HD PRO 47 1HD PRO 47 10.202 -8.510 -17.150 303 2HD PRO 47 2HD PRO 47 9.105 -8.351 -15.793 304 H SER 48 H SER 48 10.874 -10.298 -18.345 305 HA SER 48 HA SER 48 11.089 -12.284 -20.273 306 1HB SER 48 1HB SER 48 11.900 -10.166 -20.907 307 2HB SER 48 2HB SER 48 12.788 -9.939 -19.413 308 HG SER 48 HG SER 48 14.415 -11.315 -20.114 309 H GLU 49 H GLU 49 11.946 -12.334 -16.994 310 HA GLU 49 HA GLU 49 13.930 -14.401 -17.541 311 1HB GLU 49 1HB GLU 49 13.897 -12.324 -15.315 312 2HB GLU 49 2HB GLU 49 14.907 -13.755 -15.253 313 1HG GLU 49 1HG GLU 49 15.171 -12.435 -17.852 314 2HG GLU 49 2HG GLU 49 15.491 -11.299 -16.557 315 H TYR 50 H TYR 50 10.821 -13.743 -16.523 316 HA TYR 50 HA TYR 50 10.743 -16.235 -15.003 317 1HB TYR 50 1HB TYR 50 9.682 -13.443 -14.257 318 2HB TYR 50 2HB TYR 50 9.098 -14.891 -13.462 319 HD1 TYR 50 HD1 TYR 50 11.492 -16.482 -12.995 320 HD2 TYR 50 HD2 TYR 50 10.966 -12.244 -12.735 321 HE1 TYR 50 HE1 TYR 50 13.411 -16.338 -11.334 322 HE2 TYR 50 HE2 TYR 50 12.887 -12.114 -11.076 323 HH TYR 50 HH TYR 50 14.978 -13.577 -10.628 324 H ASP 51 H ASP 51 8.881 -17.446 -15.354 325 HA ASP 51 HA ASP 51 6.853 -16.126 -16.973 326 1HB ASP 51 1HB ASP 51 8.401 -18.643 -17.484 327 2HB ASP 51 2HB ASP 51 6.687 -18.720 -17.839 328 H LEU 52 H LEU 52 4.661 -16.975 -16.594 329 HA LEU 52 HA LEU 52 4.495 -18.773 -14.276 330 1HB LEU 52 1HB LEU 52 2.542 -16.560 -14.863 331 2HB LEU 52 2HB LEU 52 2.686 -17.528 -13.409 332 HG LEU 52 HG LEU 52 4.879 -15.654 -14.312 333 1HD1 LEU 52 1HD1 LEU 52 2.857 -14.884 -12.225 334 2HD1 LEU 52 2HD1 LEU 52 3.971 -13.860 -13.162 335 3HD1 LEU 52 3HD1 LEU 52 2.544 -14.575 -13.950 336 1HD2 LEU 52 1HD2 LEU 52 5.946 -16.722 -12.666 337 2HD2 LEU 52 2HD2 LEU 52 4.901 -15.795 -11.563 338 3HD2 LEU 52 3HD2 LEU 52 4.448 -17.449 -12.038 339 H LYS 53 H LYS 53 3.153 -20.529 -14.478 340 HA LYS 53 HA LYS 53 1.190 -20.533 -16.600 341 1HB LYS 53 1HB LYS 53 3.002 -21.282 -17.911 342 2HB LYS 53 2HB LYS 53 3.645 -22.286 -16.628 343 1HG LYS 53 1HG LYS 53 1.423 -23.621 -16.764 344 2HG LYS 53 2HG LYS 53 1.112 -22.754 -18.255 345 1HD LYS 53 1HD LYS 53 2.224 -24.567 -19.160 346 2HD LYS 53 2HD LYS 53 3.621 -23.562 -18.828 347 1HE LYS 53 1HE LYS 53 3.868 -24.706 -16.587 348 2HE LYS 53 2HE LYS 53 2.524 -25.753 -16.999 349 1HZ LYS 53 1HZ LYS 53 4.178 -27.004 -17.795 350 2HZ LYS 53 2HZ LYS 53 4.045 -26.064 -19.124 351 3HZ LYS 53 3HZ LYS 53 5.210 -25.759 -18.022 352 H PHE 54 H PHE 54 -0.519 -21.979 -16.192 353 HA PHE 54 HA PHE 54 -0.246 -23.489 -13.691 354 1HB PHE 54 1HB PHE 54 -1.718 -21.798 -12.989 355 2HB PHE 54 2HB PHE 54 -2.140 -21.364 -14.633 356 HD1 PHE 54 HD1 PHE 54 -4.302 -21.766 -15.315 357 HD2 PHE 54 HD2 PHE 54 -2.656 -24.198 -12.252 358 HE1 PHE 54 HE1 PHE 54 -6.508 -22.935 -15.057 359 HE2 PHE 54 HE2 PHE 54 -4.862 -25.367 -11.994 360 HZ PHE 54 HZ PHE 54 -6.762 -24.721 -13.400 361 H GLN 55 H GLN 55 -0.407 -25.629 -14.154 362 HA GLN 55 HA GLN 55 -1.027 -27.500 -15.063 363 1HB GLN 55 1HB GLN 55 -3.250 -26.883 -14.166 364 2HB GLN 55 2HB GLN 55 -3.632 -26.023 -15.644 365 1HG GLN 55 1HG GLN 55 -3.297 -28.211 -16.915 366 2HG GLN 55 2HG GLN 55 -3.122 -29.021 -15.371 367 1HE2 GLN 55 2HE2 GLN 55 -4.891 -28.482 -13.745 368 2HE2 GLN 55 1HE2 GLN 55 -6.525 -28.513 -14.320 369 H ARG 56 H ARG 56 -3.283 -26.238 -17.421 370 HA ARG 56 HA ARG 56 -1.234 -26.659 -19.442 371 1HB ARG 56 1HB ARG 56 -4.250 -27.080 -19.450 372 2HB ARG 56 2HB ARG 56 -3.366 -26.949 -20.957 373 1HG ARG 56 1HG ARG 56 -1.832 -28.815 -20.129 374 2HG ARG 56 2HG ARG 56 -2.896 -29.005 -18.749 375 1HD ARG 56 1HD ARG 56 -4.726 -29.741 -20.102 376 2HD ARG 56 2HD ARG 56 -4.021 -29.096 -21.571 377 HE ARG 56 HE ARG 56 -2.746 -31.048 -21.795 378 1HH1 ARG 56 2HH2 ARG 56 -3.976 -30.840 -18.504 379 2HH1 ARG 56 1HH2 ARG 56 -3.439 -32.428 -18.067 380 1HH2 ARG 56 2HH1 ARG 56 -2.038 -33.143 -21.219 381 2HH2 ARG 56 1HH1 ARG 56 -2.329 -33.747 -19.622 382 H THR 57 H THR 57 -2.211 -24.158 -17.791 383 HA THR 57 HA THR 57 -2.713 -22.448 -20.139 384 HB THR 57 HB THR 57 -3.789 -22.368 -17.281 385 HG1 THR 57 HG1 THR 57 -4.843 -23.590 -19.077 386 1HG2 THR 57 1HG2 THR 57 -3.243 -20.130 -19.116 387 2HG2 THR 57 2HG2 THR 57 -4.988 -20.322 -18.820 388 3HG2 THR 57 3HG2 THR 57 -3.873 -20.085 -17.452 389 H VAL 58 H VAL 58 -1.293 -20.857 -20.565 390 HA VAL 58 HA VAL 58 0.978 -20.672 -18.766 391 HB VAL 58 HB VAL 58 1.955 -19.365 -20.633 392 1HG1 VAL 58 1HG1 VAL 58 2.171 -21.863 -20.405 393 2HG1 VAL 58 2HG1 VAL 58 0.833 -22.024 -21.568 394 3HG1 VAL 58 3HG1 VAL 58 2.355 -21.248 -22.066 395 1HG2 VAL 58 1HG2 VAL 58 0.864 -19.017 -22.684 396 2HG2 VAL 58 2HG2 VAL 58 -0.433 -20.174 -22.298 397 3HG2 VAL 58 3HG2 VAL 58 -0.363 -18.604 -21.463 398 H LEU 59 H LEU 59 1.593 -18.798 -17.661 399 HA LEU 59 HA LEU 59 -0.396 -16.636 -17.757 400 1HB LEU 59 1HB LEU 59 0.990 -17.954 -15.444 401 2HB LEU 59 2HB LEU 59 0.438 -16.295 -15.322 402 HG LEU 59 HG LEU 59 -1.268 -17.603 -14.374 403 1HD1 LEU 59 1HD1 LEU 59 -2.465 -17.354 -17.102 404 2HD1 LEU 59 2HD1 LEU 59 -3.114 -16.877 -15.515 405 3HD1 LEU 59 3HD1 LEU 59 -1.855 -15.890 -16.296 406 1HD2 LEU 59 1HD2 LEU 59 -2.339 -19.516 -15.640 407 2HD2 LEU 59 2HD2 LEU 59 -0.953 -19.439 -16.755 408 3HD2 LEU 59 3HD2 LEU 59 -0.690 -19.802 -15.032 409 H ASP 60 H ASP 60 0.395 -14.775 -18.565 410 HA ASP 60 HA ASP 60 3.154 -14.157 -17.951 411 1HB ASP 60 1HB ASP 60 2.650 -15.203 -20.375 412 2HB ASP 60 2HB ASP 60 2.121 -13.571 -20.729 413 H LEU 61 H LEU 61 2.999 -11.836 -19.909 414 HA LEU 61 HA LEU 61 1.358 -10.117 -18.242 415 1HB LEU 61 1HB LEU 61 3.271 -9.384 -20.459 416 2HB LEU 61 2HB LEU 61 2.554 -8.304 -19.280 417 HG LEU 61 HG LEU 61 4.210 -10.579 -18.267 418 1HD1 LEU 61 1HD1 LEU 61 5.209 -8.757 -20.212 419 2HD1 LEU 61 2HD1 LEU 61 5.935 -8.339 -18.641 420 3HD1 LEU 61 3HD1 LEU 61 6.090 -9.993 -19.281 421 1HD2 LEU 61 1HD2 LEU 61 2.891 -8.570 -17.026 422 2HD2 LEU 61 2HD2 LEU 61 4.333 -9.378 -16.365 423 3HD2 LEU 61 3HD2 LEU 61 4.496 -7.826 -17.222 424 H SER 62 H SER 62 1.677 -11.263 -21.637 425 HA SER 62 HA SER 62 -0.552 -9.658 -22.421 426 1HB SER 62 1HB SER 62 -0.219 -10.774 -24.641 427 2HB SER 62 2HB SER 62 1.236 -10.008 -24.033 428 HG SER 62 HG SER 62 0.583 -12.823 -24.038 429 H LEU 63 H LEU 63 -1.175 -11.421 -20.251 430 HA LEU 63 HA LEU 63 -3.250 -12.986 -21.538 431 1HB LEU 63 1HB LEU 63 -1.340 -14.232 -19.558 432 2HB LEU 63 2HB LEU 63 -2.740 -14.995 -20.285 433 HG LEU 63 HG LEU 63 -0.390 -13.998 -21.909 434 1HD1 LEU 63 1HD1 LEU 63 0.422 -16.312 -21.962 435 2HD1 LEU 63 2HD1 LEU 63 0.433 -15.645 -20.312 436 3HD1 LEU 63 3HD1 LEU 63 -0.844 -16.784 -20.803 437 1HD2 LEU 63 1HD2 LEU 63 -1.720 -14.450 -23.628 438 2HD2 LEU 63 2HD2 LEU 63 -1.657 -16.166 -23.159 439 3HD2 LEU 63 3HD2 LEU 63 -2.971 -15.126 -22.557 440 H GLN 64 H GLN 64 -5.011 -12.005 -20.683 441 HA GLN 64 HA GLN 64 -4.831 -11.105 -17.946 442 1HB GLN 64 1HB GLN 64 -6.988 -10.703 -20.065 443 2HB GLN 64 2HB GLN 64 -7.036 -10.005 -18.458 444 1HG GLN 64 1HG GLN 64 -6.107 -8.269 -19.774 445 2HG GLN 64 2HG GLN 64 -4.703 -8.988 -19.012 446 1HE2 GLN 64 2HE2 GLN 64 -3.175 -8.618 -20.481 447 2HE2 GLN 64 1HE2 GLN 64 -3.164 -9.211 -22.109 448 H TRP 65 H TRP 65 -6.658 -11.581 -16.411 449 HA TRP 65 HA TRP 65 -7.116 -14.341 -16.270 450 1HB TRP 65 1HB TRP 65 -6.982 -13.011 -14.287 451 2HB TRP 65 2HB TRP 65 -8.317 -11.996 -14.797 452 HD1 TRP 65 HD1 TRP 65 -10.551 -14.093 -15.487 453 HE1 TRP 65 HE1 TRP 65 -11.680 -15.675 -13.702 454 HE3 TRP 65 HE3 TRP 65 -6.764 -13.849 -12.104 455 HZ2 TRP 65 HZ2 TRP 65 -10.880 -16.626 -11.133 456 HZ3 TRP 65 HZ3 TRP 65 -7.017 -15.135 -9.983 457 HH2 TRP 65 HH2 TRP 65 -8.987 -16.488 -9.473 458 H ARG 66 H ARG 66 -9.046 -11.526 -17.424 459 HA ARG 66 HA ARG 66 -11.444 -12.791 -17.696 460 1HB ARG 66 1HB ARG 66 -11.918 -11.040 -19.455 461 2HB ARG 66 2HB ARG 66 -11.217 -10.372 -17.995 462 1HG ARG 66 1HG ARG 66 -9.102 -10.021 -19.006 463 2HG ARG 66 2HG ARG 66 -9.389 -11.209 -20.261 464 1HD ARG 66 1HD ARG 66 -9.748 -9.275 -21.501 465 2HD ARG 66 2HD ARG 66 -11.383 -9.542 -20.931 466 HE ARG 66 HE ARG 66 -11.160 -7.723 -19.420 467 1HH1 ARG 66 2HH2 ARG 66 -8.101 -8.417 -21.015 468 2HH1 ARG 66 1HH2 ARG 66 -7.355 -6.939 -20.507 469 1HH2 ARG 66 2HH1 ARG 66 -10.176 -5.773 -18.749 470 2HH2 ARG 66 1HH1 ARG 66 -8.543 -5.425 -19.209 471 H PHE 67 H PHE 67 -8.469 -13.376 -19.353 472 HA PHE 67 HA PHE 67 -9.909 -14.750 -21.512 473 1HB PHE 67 1HB PHE 67 -7.234 -13.311 -21.219 474 2HB PHE 67 2HB PHE 67 -7.378 -14.564 -22.437 475 HD1 PHE 67 HD1 PHE 67 -9.366 -14.317 -24.105 476 HD2 PHE 67 HD2 PHE 67 -7.857 -11.134 -21.738 477 HE1 PHE 67 HE1 PHE 67 -10.373 -12.656 -25.695 478 HE2 PHE 67 HE2 PHE 67 -8.864 -9.474 -23.328 479 HZ PHE 67 HZ PHE 67 -10.110 -10.255 -25.288 480 H ALA 68 H ALA 68 -6.778 -14.899 -19.655 481 HA ALA 68 HA ALA 68 -6.284 -17.573 -20.189 482 1HB ALA 68 1HB ALA 68 -4.906 -17.334 -17.996 483 2HB ALA 68 2HB ALA 68 -4.500 -16.272 -19.365 484 3HB ALA 68 3HB ALA 68 -5.462 -15.643 -18.007 485 H ASN 69 H ASN 69 -8.706 -16.072 -18.203 486 HA ASN 69 HA ASN 69 -10.050 -16.803 -16.641 487 1HB ASN 69 1HB ASN 69 -11.178 -19.004 -17.185 488 2HB ASN 69 2HB ASN 69 -11.047 -17.943 -18.574 489 1HD2 ASN 69 2HD2 ASN 69 -9.399 -18.303 -20.128 490 2HD2 ASN 69 1HD2 ASN 69 -8.719 -19.875 -20.380 491 H LEU 70 H LEU 70 -8.737 -16.926 -14.722 492 HA LEU 70 HA LEU 70 -7.368 -19.468 -14.258 493 1HB LEU 70 1HB LEU 70 -7.137 -16.841 -12.785 494 2HB LEU 70 2HB LEU 70 -6.180 -18.281 -12.497 495 HG LEU 70 HG LEU 70 -4.674 -17.268 -13.812 496 1HD1 LEU 70 1HD1 LEU 70 -4.705 -17.940 -16.077 497 2HD1 LEU 70 2HD1 LEU 70 -5.619 -19.180 -15.184 498 3HD1 LEU 70 3HD1 LEU 70 -6.484 -17.948 -16.135 499 1HD2 LEU 70 1HD2 LEU 70 -5.355 -15.110 -13.992 500 2HD2 LEU 70 2HD2 LEU 70 -5.576 -15.595 -15.691 501 3HD2 LEU 70 3HD2 LEU 70 -6.974 -15.547 -14.589 502 HA PRO 71 HA PRO 71 -10.267 -20.620 -11.279 503 1HB PRO 71 1HB PRO 71 -8.780 -22.088 -9.518 504 2HB PRO 71 2HB PRO 71 -9.341 -22.716 -11.055 505 1HG PRO 71 1HG PRO 71 -6.621 -21.847 -10.291 506 2HG PRO 71 2HG PRO 71 -7.114 -22.853 -11.638 507 1HD PRO 71 1HD PRO 71 -6.355 -20.089 -11.748 508 2HD PRO 71 2HD PRO 71 -6.958 -21.063 -13.073 509 H ASN 72 H ASN 72 -10.870 -20.710 -8.868 510 HA ASN 72 HA ASN 72 -11.112 -18.308 -7.908 511 1HB ASN 72 1HB ASN 72 -10.614 -19.525 -5.519 512 2HB ASN 72 2HB ASN 72 -12.069 -19.835 -6.445 513 1HD2 ASN 72 2HD2 ASN 72 -12.187 -21.670 -7.804 514 2HD2 ASN 72 1HD2 ASN 72 -11.225 -23.082 -7.514 515 H ASN 73 H ASN 73 -8.719 -20.206 -6.012 516 HA ASN 73 HA ASN 73 -7.213 -17.968 -5.406 517 1HB ASN 73 1HB ASN 73 -7.238 -20.784 -4.761 518 2HB ASN 73 2HB ASN 73 -5.595 -20.374 -5.212 519 1HD2 ASN 73 2HD2 ASN 73 -8.326 -19.372 -3.196 520 2HD2 ASN 73 1HD2 ASN 73 -7.411 -18.677 -1.899 521 H ALA 74 H ALA 74 -7.551 -19.512 -8.353 522 HA ALA 74 HA ALA 74 -6.140 -20.037 -10.065 523 1HB ALA 74 1HB ALA 74 -6.904 -17.906 -10.696 524 2HB ALA 74 2HB ALA 74 -5.960 -17.086 -9.429 525 3HB ALA 74 3HB ALA 74 -5.137 -17.762 -10.855 526 H LYS 75 H LYS 75 -4.611 -21.535 -9.223 527 HA LYS 75 HA LYS 75 -2.213 -20.419 -8.028 528 1HB LYS 75 1HB LYS 75 -2.733 -23.341 -8.550 529 2HB LYS 75 2HB LYS 75 -1.708 -22.605 -7.334 530 1HG LYS 75 1HG LYS 75 -4.262 -21.517 -6.822 531 2HG LYS 75 2HG LYS 75 -4.590 -23.188 -7.235 532 1HD LYS 75 1HD LYS 75 -2.859 -22.108 -4.988 533 2HD LYS 75 2HD LYS 75 -4.207 -23.223 -4.883 534 1HE LYS 75 1HE LYS 75 -2.334 -24.487 -6.610 535 2HE LYS 75 2HE LYS 75 -1.370 -23.797 -5.319 536 1HZ LYS 75 1HZ LYS 75 -3.281 -24.831 -3.893 537 2HZ LYS 75 2HZ LYS 75 -3.414 -25.836 -5.173 538 3HZ LYS 75 3HZ LYS 75 -1.998 -25.722 -4.367 539 H LEU 76 H LEU 76 -0.483 -19.848 -9.222 540 HA LEU 76 HA LEU 76 -0.243 -21.117 -11.862 541 1HB LEU 76 1HB LEU 76 0.978 -18.461 -11.294 542 2HB LEU 76 2HB LEU 76 0.404 -19.138 -12.805 543 HG LEU 76 HG LEU 76 -1.169 -17.517 -12.438 544 1HD1 LEU 76 1HD1 LEU 76 -2.037 -20.128 -12.075 545 2HD1 LEU 76 2HD1 LEU 76 -2.841 -19.223 -10.770 546 3HD1 LEU 76 3HD1 LEU 76 -3.046 -18.713 -12.463 547 1HD2 LEU 76 1HD2 LEU 76 -0.120 -17.163 -10.038 548 2HD2 LEU 76 2HD2 LEU 76 -1.722 -16.513 -10.460 549 3HD2 LEU 76 3HD2 LEU 76 -1.592 -18.020 -9.522 550 H GLU 77 H GLU 77 1.949 -21.558 -12.613 551 HA GLU 77 HA GLU 77 3.667 -22.084 -10.330 552 1HB GLU 77 1HB GLU 77 4.177 -24.057 -11.322 553 2HB GLU 77 2HB GLU 77 2.827 -23.741 -12.394 554 1HG GLU 77 1HG GLU 77 4.405 -22.512 -13.948 555 2HG GLU 77 2HG GLU 77 5.737 -22.960 -12.901 556 H MET 78 H MET 78 5.649 -21.079 -10.111 557 HA MET 78 HA MET 78 6.229 -19.057 -12.069 558 1HB MET 78 1HB MET 78 6.412 -19.185 -9.307 559 2HB MET 78 2HB MET 78 8.071 -19.539 -9.746 560 1HG MET 78 1HG MET 78 6.461 -17.075 -10.564 561 2HG MET 78 2HG MET 78 7.820 -17.114 -9.458 562 1HE MET 78 1HE MET 78 10.041 -15.675 -11.030 563 2HE MET 78 2HE MET 78 9.855 -16.945 -9.796 564 3HE MET 78 3HE MET 78 10.853 -17.244 -11.239 565 H VAL 79 H VAL 79 7.927 -19.085 -13.528 566 HA VAL 79 HA VAL 79 10.027 -21.053 -13.156 567 HB VAL 79 HB VAL 79 8.038 -22.030 -14.465 568 1HG1 VAL 79 1HG1 VAL 79 7.547 -20.154 -15.910 569 2HG1 VAL 79 2HG1 VAL 79 9.201 -20.173 -16.566 570 3HG1 VAL 79 3HG1 VAL 79 8.094 -21.524 -16.906 571 1HG2 VAL 79 1HG2 VAL 79 10.512 -22.808 -14.348 572 2HG2 VAL 79 2HG2 VAL 79 9.475 -23.441 -15.649 573 3HG2 VAL 79 3HG2 VAL 79 10.637 -22.137 -15.992 574 HA PRO 80 HA PRO 80 12.185 -17.640 -14.733 575 1HB PRO 80 1HB PRO 80 14.667 -18.761 -14.959 576 2HB PRO 80 2HB PRO 80 14.032 -18.135 -13.450 577 1HG PRO 80 1HG PRO 80 14.341 -20.948 -14.305 578 2HG PRO 80 2HG PRO 80 14.120 -20.310 -12.688 579 1HD PRO 80 1HD PRO 80 12.135 -21.594 -14.313 580 2HD PRO 80 2HD PRO 80 11.887 -20.853 -12.745 581 H VAL 81 H VAL 81 12.379 -16.626 -16.645 582 HA VAL 81 HA VAL 81 13.589 -17.531 -18.843 583 HB VAL 81 HB VAL 81 11.408 -18.353 -20.119 584 1HG1 VAL 81 1HG1 VAL 81 13.716 -19.606 -18.929 585 2HG1 VAL 81 2HG1 VAL 81 12.330 -20.722 -18.876 586 3HG1 VAL 81 3HG1 VAL 81 12.852 -20.024 -20.428 587 1HG2 VAL 81 1HG2 VAL 81 9.707 -19.101 -18.878 588 2HG2 VAL 81 2HG2 VAL 81 10.799 -20.026 -17.819 589 3HG2 VAL 81 3HG2 VAL 81 10.474 -18.309 -17.480 590 H SER 82 H SER 82 11.776 -16.826 -20.943 591 HA SER 82 HA SER 82 11.281 -14.069 -20.145 592 1HB SER 82 1HB SER 82 11.466 -13.565 -22.602 593 2HB SER 82 2HB SER 82 12.936 -14.221 -21.911 594 HG SER 82 HG SER 82 10.975 -15.906 -23.198 595 H ARG 83 H ARG 83 9.476 -13.039 -21.733 596 HA ARG 83 HA ARG 83 7.104 -13.809 -21.004 597 1HB ARG 83 1HB ARG 83 8.093 -12.642 -23.603 598 2HB ARG 83 2HB ARG 83 6.407 -13.118 -23.537 599 1HG ARG 83 1HG ARG 83 5.845 -11.441 -22.060 600 2HG ARG 83 2HG ARG 83 7.343 -11.582 -21.161 601 1HD ARG 83 1HD ARG 83 7.350 -9.419 -22.281 602 2HD ARG 83 2HD ARG 83 8.551 -10.428 -23.063 603 HE ARG 83 HE ARG 83 7.279 -10.377 -25.026 604 1HH1 ARG 83 2HH2 ARG 83 5.244 -9.426 -22.317 605 2HH1 ARG 83 1HH2 ARG 83 3.899 -8.986 -23.317 606 1HH2 ARG 83 2HH1 ARG 83 5.506 -9.797 -26.345 607 2HH2 ARG 83 1HH1 ARG 83 4.049 -9.198 -25.623 608 H SER 84 H SER 84 9.018 -15.353 -23.625 609 HA SER 84 HA SER 84 7.507 -17.725 -23.325 610 1HB SER 84 1HB SER 84 6.655 -17.898 -25.612 611 2HB SER 84 2HB SER 84 6.009 -16.454 -24.858 612 HG SER 84 HG SER 84 7.279 -16.574 -27.173 613 H ARG 85 H ARG 85 8.646 -19.550 -24.229 614 HA ARG 85 HA ARG 85 10.811 -19.112 -25.975 615 1HB ARG 85 1HB ARG 85 11.443 -18.677 -23.295 616 2HB ARG 85 2HB ARG 85 11.865 -20.367 -23.490 617 1HG ARG 85 1HG ARG 85 12.816 -18.909 -25.809 618 2HG ARG 85 2HG ARG 85 13.340 -18.062 -24.367 619 1HD ARG 85 1HD ARG 85 13.671 -21.077 -24.573 620 2HD ARG 85 2HD ARG 85 14.841 -20.007 -25.321 621 HE ARG 85 HE ARG 85 14.433 -20.418 -22.440 622 1HH1 ARG 85 2HH2 ARG 85 15.787 -18.310 -24.910 623 2HH1 ARG 85 1HH2 ARG 85 16.915 -17.558 -23.831 624 1HH2 ARG 85 2HH1 ARG 85 15.920 -19.427 -21.016 625 2HH2 ARG 85 1HH1 ARG 85 16.991 -18.198 -21.601 Start of MODEL 19 1 H SER 10 H SER 10 -12.364 -13.211 -6.100 2 HA SER 10 HA SER 10 -11.271 -15.543 -7.455 3 1HB SER 10 1HB SER 10 -11.272 -12.579 -8.090 4 2HB SER 10 2HB SER 10 -10.074 -13.632 -8.815 5 HG SER 10 HG SER 10 -11.579 -14.090 -10.261 6 H ALA 11 H ALA 11 -9.098 -16.135 -7.142 7 HA ALA 11 HA ALA 11 -7.385 -14.323 -5.658 8 1HB ALA 11 1HB ALA 11 -7.981 -15.341 -3.711 9 2HB ALA 11 2HB ALA 11 -8.664 -16.758 -4.543 10 3HB ALA 11 3HB ALA 11 -6.907 -16.639 -4.284 11 H VAL 12 H VAL 12 -5.189 -14.653 -6.123 12 HA VAL 12 HA VAL 12 -4.678 -16.825 -8.037 13 HB VAL 12 HB VAL 12 -3.193 -14.214 -7.996 14 1HG1 VAL 12 1HG1 VAL 12 -3.505 -16.538 -9.864 15 2HG1 VAL 12 2HG1 VAL 12 -3.180 -14.926 -10.546 16 3HG1 VAL 12 3HG1 VAL 12 -2.042 -15.646 -9.382 17 1HG2 VAL 12 1HG2 VAL 12 -5.984 -14.563 -8.672 18 2HG2 VAL 12 2HG2 VAL 12 -4.999 -13.081 -8.655 19 3HG2 VAL 12 3HG2 VAL 12 -5.048 -14.101 -10.113 20 H SER 13 H SER 13 -2.804 -18.053 -7.739 21 HA SER 13 HA SER 13 -1.175 -17.268 -5.463 22 1HB SER 13 1HB SER 13 -2.907 -19.061 -4.867 23 2HB SER 13 2HB SER 13 -2.073 -20.134 -5.974 24 HG SER 13 HG SER 13 -0.087 -19.318 -4.550 25 H VAL 14 H VAL 14 1.015 -17.391 -5.906 26 HA VAL 14 HA VAL 14 1.764 -18.936 -8.292 27 HB VAL 14 HB VAL 14 3.499 -16.696 -7.544 28 1HG1 VAL 14 1HG1 VAL 14 3.715 -18.040 -9.616 29 2HG1 VAL 14 2HG1 VAL 14 2.129 -17.434 -10.153 30 3HG1 VAL 14 3HG1 VAL 14 3.489 -16.305 -9.946 31 1HG2 VAL 14 1HG2 VAL 14 1.454 -15.586 -6.934 32 2HG2 VAL 14 2HG2 VAL 14 1.964 -14.970 -8.524 33 3HG2 VAL 14 3HG2 VAL 14 0.641 -16.156 -8.411 34 H LEU 15 H LEU 15 2.996 -20.665 -7.787 35 HA LEU 15 HA LEU 15 4.538 -20.501 -5.297 36 1HB LEU 15 1HB LEU 15 4.066 -22.652 -4.878 37 2HB LEU 15 2HB LEU 15 2.651 -22.273 -5.839 38 HG LEU 15 HG LEU 15 3.545 -24.422 -6.486 39 1HD1 LEU 15 1HD1 LEU 15 3.030 -22.293 -8.252 40 2HD1 LEU 15 2HD1 LEU 15 4.434 -23.159 -8.920 41 3HD1 LEU 15 3HD1 LEU 15 2.924 -24.039 -8.581 42 1HD2 LEU 15 1HD2 LEU 15 5.998 -23.673 -7.782 43 2HD2 LEU 15 2HD2 LEU 15 6.059 -23.209 -6.064 44 3HD2 LEU 15 3HD2 LEU 15 5.710 -24.894 -6.519 45 H ALA 16 H ALA 16 6.690 -20.226 -5.488 46 HA ALA 16 HA ALA 16 7.873 -20.549 -8.108 47 1HB ALA 16 1HB ALA 16 9.129 -19.634 -5.492 48 2HB ALA 16 2HB ALA 16 9.751 -19.373 -7.140 49 3HB ALA 16 3HB ALA 16 8.262 -18.554 -6.611 50 HA PRO 17 HA PRO 17 9.449 -24.476 -7.140 51 1HB PRO 17 1HB PRO 17 11.129 -24.801 -9.271 52 2HB PRO 17 2HB PRO 17 9.406 -25.110 -9.353 53 1HG PRO 17 1HG PRO 17 10.930 -22.819 -10.431 54 2HG PRO 17 2HG PRO 17 9.319 -23.362 -10.854 55 1HD PRO 17 1HD PRO 17 9.995 -21.119 -9.199 56 2HD PRO 17 2HD PRO 17 8.386 -21.731 -9.528 57 H ASN 18 H ASN 18 11.167 -21.636 -7.026 58 HA ASN 18 HA ASN 18 13.670 -22.845 -6.464 59 1HB ASN 18 1HB ASN 18 14.266 -20.462 -5.731 60 2HB ASN 18 2HB ASN 18 13.690 -20.596 -7.380 61 1HD2 ASN 18 2HD2 ASN 18 13.476 -18.209 -6.650 62 2HD2 ASN 18 1HD2 ASN 18 11.905 -17.717 -6.113 63 H GLY 19 H GLY 19 10.786 -22.855 -4.827 64 1HA GLY 19 1HA GLY 19 10.558 -23.735 -2.674 65 2HA GLY 19 2HA GLY 19 12.108 -23.059 -2.216 66 H ARG 20 H ARG 20 10.105 -20.926 -4.114 67 HA ARG 20 HA ARG 20 9.479 -19.502 -1.657 68 1HB ARG 20 1HB ARG 20 10.781 -18.648 -4.032 69 2HB ARG 20 2HB ARG 20 9.186 -17.929 -4.123 70 1HG ARG 20 1HG ARG 20 10.420 -17.735 -1.429 71 2HG ARG 20 2HG ARG 20 11.330 -16.904 -2.675 72 1HD ARG 20 1HD ARG 20 8.823 -16.057 -3.342 73 2HD ARG 20 2HD ARG 20 8.575 -16.325 -1.628 74 HE ARG 20 HE ARG 20 11.009 -14.800 -2.301 75 1HH1 ARG 20 2HH2 ARG 20 7.609 -14.657 -1.406 76 2HH1 ARG 20 1HH2 ARG 20 7.699 -13.029 -0.822 77 1HH2 ARG 20 2HH1 ARG 20 11.129 -12.652 -1.531 78 2HH2 ARG 20 1HH1 ARG 20 9.715 -11.881 -0.893 79 H ARG 21 H ARG 21 7.334 -19.647 -1.080 80 HA ARG 21 HA ARG 21 5.447 -20.002 -3.264 81 1HB ARG 21 1HB ARG 21 5.809 -21.459 -0.853 82 2HB ARG 21 2HB ARG 21 4.361 -20.511 -0.580 83 1HG ARG 21 1HG ARG 21 3.259 -21.440 -2.516 84 2HG ARG 21 2HG ARG 21 4.752 -22.114 -3.139 85 1HD ARG 21 1HD ARG 21 4.442 -24.031 -1.958 86 2HD ARG 21 2HD ARG 21 4.322 -23.137 -0.455 87 HE ARG 21 HE ARG 21 1.886 -22.960 -2.060 88 1HH1 ARG 21 2HH2 ARG 21 3.628 -24.916 0.289 89 2HH1 ARG 21 1HH2 ARG 21 2.202 -25.700 0.884 90 1HH2 ARG 21 2HH1 ARG 21 0.005 -23.994 -1.276 91 2HH2 ARG 21 1HH1 ARG 21 0.128 -25.172 -0.012 92 H HIS 22 H HIS 22 4.164 -18.238 -3.712 93 HA HIS 22 HA HIS 22 3.392 -16.542 -1.478 94 1HB HIS 22 1HB HIS 22 3.897 -14.509 -2.763 95 2HB HIS 22 2HB HIS 22 5.335 -15.431 -2.372 96 HD1 HIS 22 HD1 HIS 22 5.681 -17.392 -4.585 97 HD2 HIS 22 HD2 HIS 22 4.212 -13.524 -5.278 98 HE1 HIS 22 HE1 HIS 22 6.112 -16.894 -7.050 99 H THR 23 H THR 23 1.291 -15.740 -1.646 100 HA THR 23 HA THR 23 -0.122 -16.480 -4.125 101 HB THR 23 HB THR 23 -0.700 -17.975 -2.223 102 HG1 THR 23 HG1 THR 23 -2.615 -17.603 -3.292 103 1HG2 THR 23 1HG2 THR 23 -0.211 -16.055 -0.460 104 2HG2 THR 23 2HG2 THR 23 -1.884 -15.558 -0.812 105 3HG2 THR 23 3HG2 THR 23 -1.557 -17.180 -0.156 106 H VAL 24 H VAL 24 -1.120 -14.893 -5.208 107 HA VAL 24 HA VAL 24 -1.514 -12.378 -3.736 108 HB VAL 24 HB VAL 24 -0.640 -12.835 -6.594 109 1HG1 VAL 24 1HG1 VAL 24 -2.294 -10.933 -6.247 110 2HG1 VAL 24 2HG1 VAL 24 -1.046 -10.155 -5.244 111 3HG1 VAL 24 3HG1 VAL 24 -0.725 -10.490 -6.962 112 1HG2 VAL 24 1HG2 VAL 24 1.363 -12.943 -5.543 113 2HG2 VAL 24 2HG2 VAL 24 1.203 -11.171 -5.493 114 3HG2 VAL 24 3HG2 VAL 24 0.756 -12.145 -4.072 115 H LYS 25 H LYS 25 -3.551 -11.507 -3.802 116 HA LYS 25 HA LYS 25 -5.514 -13.046 -5.319 117 1HB LYS 25 1HB LYS 25 -7.158 -11.997 -3.814 118 2HB LYS 25 2HB LYS 25 -5.933 -12.899 -2.944 119 1HG LYS 25 1HG LYS 25 -5.120 -10.101 -3.361 120 2HG LYS 25 2HG LYS 25 -6.653 -10.205 -2.519 121 1HD LYS 25 1HD LYS 25 -5.718 -11.529 -0.742 122 2HD LYS 25 2HD LYS 25 -4.276 -11.902 -1.666 123 1HE LYS 25 1HE LYS 25 -4.904 -9.004 -1.060 124 2HE LYS 25 2HE LYS 25 -4.238 -10.005 0.215 125 1HZ LYS 25 1HZ LYS 25 -3.036 -9.588 -2.434 126 2HZ LYS 25 2HZ LYS 25 -2.505 -8.954 -1.026 127 3HZ LYS 25 3HZ LYS 25 -2.424 -10.566 -1.279 128 H VAL 26 H VAL 26 -6.059 -12.297 -7.290 129 HA VAL 26 HA VAL 26 -6.122 -9.377 -7.612 130 HB VAL 26 HB VAL 26 -5.053 -9.484 -9.628 131 1HG1 VAL 26 1HG1 VAL 26 -3.834 -10.859 -7.515 132 2HG1 VAL 26 2HG1 VAL 26 -3.530 -11.866 -8.950 133 3HG1 VAL 26 3HG1 VAL 26 -3.035 -10.156 -8.942 134 1HG2 VAL 26 1HG2 VAL 26 -6.043 -10.893 -11.088 135 2HG2 VAL 26 2HG2 VAL 26 -4.741 -12.012 -10.617 136 3HG2 VAL 26 3HG2 VAL 26 -6.342 -12.134 -9.848 137 H THR 27 H THR 27 -7.565 -8.778 -9.588 138 HA THR 27 HA THR 27 -10.079 -10.159 -9.180 139 HB THR 27 HB THR 27 -10.110 -7.996 -11.135 140 HG1 THR 27 HG1 THR 27 -8.964 -6.471 -9.836 141 1HG2 THR 27 1HG2 THR 27 -11.900 -7.377 -9.849 142 2HG2 THR 27 2HG2 THR 27 -11.591 -8.827 -8.863 143 3HG2 THR 27 3HG2 THR 27 -10.878 -7.264 -8.396 144 HA PRO 28 HA PRO 28 -10.009 -12.443 -12.809 145 1HB PRO 28 1HB PRO 28 -12.672 -12.693 -13.369 146 2HB PRO 28 2HB PRO 28 -11.851 -13.665 -12.165 147 1HG PRO 28 1HG PRO 28 -13.694 -11.389 -11.767 148 2HG PRO 28 2HG PRO 28 -13.208 -12.620 -10.620 149 1HD PRO 28 1HD PRO 28 -12.268 -9.913 -10.733 150 2HD PRO 28 2HD PRO 28 -11.697 -11.176 -9.661 151 H SER 29 H SER 29 -11.093 -9.272 -12.791 152 HA SER 29 HA SER 29 -11.245 -9.319 -15.696 153 1HB SER 29 1HB SER 29 -12.163 -6.920 -15.305 154 2HB SER 29 2HB SER 29 -13.195 -8.272 -14.881 155 HG SER 29 HG SER 29 -13.318 -7.238 -12.995 156 H THR 30 H THR 30 -9.050 -8.851 -13.206 157 HA THR 30 HA THR 30 -7.719 -6.548 -14.386 158 HB THR 30 HB THR 30 -7.340 -8.269 -11.891 159 HG1 THR 30 HG1 THR 30 -7.977 -5.504 -12.638 160 1HG2 THR 30 1HG2 THR 30 -5.412 -7.042 -11.297 161 2HG2 THR 30 2HG2 THR 30 -5.135 -7.283 -13.038 162 3HG2 THR 30 3HG2 THR 30 -5.776 -5.732 -12.445 163 H VAL 31 H VAL 31 -5.778 -6.560 -15.474 164 HA VAL 31 HA VAL 31 -5.164 -9.040 -16.761 165 HB VAL 31 HB VAL 31 -3.681 -6.415 -16.909 166 1HG1 VAL 31 1HG1 VAL 31 -3.709 -7.539 -19.419 167 2HG1 VAL 31 2HG1 VAL 31 -2.379 -7.674 -18.244 168 3HG1 VAL 31 3HG1 VAL 31 -3.593 -8.970 -18.367 169 1HG2 VAL 31 1HG2 VAL 31 -6.416 -6.953 -17.622 170 2HG2 VAL 31 2HG2 VAL 31 -5.484 -5.447 -17.793 171 3HG2 VAL 31 3HG2 VAL 31 -5.467 -6.657 -19.098 172 H LEU 32 H LEU 32 -3.410 -10.395 -16.430 173 HA LEU 32 HA LEU 32 -2.258 -10.372 -13.877 174 1HB LEU 32 1HB LEU 32 -1.641 -11.890 -16.408 175 2HB LEU 32 2HB LEU 32 -0.776 -12.157 -14.907 176 HG LEU 32 HG LEU 32 -3.693 -12.273 -14.587 177 1HD1 LEU 32 1HD1 LEU 32 -2.446 -13.721 -16.810 178 2HD1 LEU 32 2HD1 LEU 32 -3.321 -14.771 -15.670 179 3HD1 LEU 32 3HD1 LEU 32 -4.162 -13.411 -16.452 180 1HD2 LEU 32 1HD2 LEU 32 -1.862 -14.547 -13.978 181 2HD2 LEU 32 2HD2 LEU 32 -1.643 -13.028 -13.078 182 3HD2 LEU 32 3HD2 LEU 32 -3.211 -13.870 -13.035 183 H LEU 33 H LEU 33 -1.489 -8.692 -16.836 184 HA LEU 33 HA LEU 33 1.273 -8.418 -16.475 185 1HB LEU 33 1HB LEU 33 1.188 -6.892 -18.200 186 2HB LEU 33 2HB LEU 33 -0.161 -7.963 -18.525 187 HG LEU 33 HG LEU 33 -1.570 -6.153 -17.254 188 1HD1 LEU 33 1HD1 LEU 33 0.995 -4.705 -17.854 189 2HD1 LEU 33 2HD1 LEU 33 -0.562 -3.842 -17.858 190 3HD1 LEU 33 3HD1 LEU 33 -0.009 -4.675 -16.385 191 1HD2 LEU 33 1HD2 LEU 33 -0.836 -5.011 -19.850 192 2HD2 LEU 33 2HD2 LEU 33 -1.135 -6.765 -19.901 193 3HD2 LEU 33 3HD2 LEU 33 -2.388 -5.667 -19.274 194 H GLN 34 H GLN 34 -1.556 -6.521 -15.292 195 HA GLN 34 HA GLN 34 0.025 -4.522 -14.140 196 1HB GLN 34 1HB GLN 34 -1.997 -3.649 -13.311 197 2HB GLN 34 2HB GLN 34 -2.511 -4.522 -14.740 198 1HG GLN 34 1HG GLN 34 -4.042 -5.404 -13.249 199 2HG GLN 34 2HG GLN 34 -2.745 -6.551 -12.981 200 1HE2 GLN 34 2HE2 GLN 34 -4.497 -3.818 -11.754 201 2HE2 GLN 34 1HE2 GLN 34 -3.890 -3.827 -10.132 202 H VAL 35 H VAL 35 -1.320 -7.640 -12.968 203 HA VAL 35 HA VAL 35 -0.577 -7.186 -10.263 204 HB VAL 35 HB VAL 35 -1.538 -9.205 -9.858 205 1HG1 VAL 35 1HG1 VAL 35 -2.706 -8.883 -12.625 206 2HG1 VAL 35 2HG1 VAL 35 -3.508 -9.399 -11.122 207 3HG1 VAL 35 3HG1 VAL 35 -3.023 -7.699 -11.334 208 1HG2 VAL 35 1HG2 VAL 35 -1.438 -11.174 -11.256 209 2HG2 VAL 35 2HG2 VAL 35 -0.744 -10.237 -12.601 210 3HG2 VAL 35 3HG2 VAL 35 0.198 -10.488 -11.111 211 H LEU 36 H LEU 36 0.815 -9.090 -13.017 212 HA LEU 36 HA LEU 36 2.999 -10.070 -11.602 213 1HB LEU 36 1HB LEU 36 2.361 -11.067 -13.646 214 2HB LEU 36 2HB LEU 36 2.481 -9.554 -14.522 215 HG LEU 36 HG LEU 36 4.916 -9.569 -14.288 216 1HD1 LEU 36 1HD1 LEU 36 5.015 -10.717 -12.097 217 2HD1 LEU 36 2HD1 LEU 36 4.606 -12.248 -12.908 218 3HD1 LEU 36 3HD1 LEU 36 6.127 -11.411 -13.302 219 1HD2 LEU 36 1HD2 LEU 36 3.363 -11.317 -15.861 220 2HD2 LEU 36 2HD2 LEU 36 5.008 -10.717 -16.183 221 3HD2 LEU 36 3HD2 LEU 36 4.775 -12.254 -15.315 222 H GLU 37 H GLU 37 2.475 -6.991 -13.387 223 HA GLU 37 HA GLU 37 5.130 -6.165 -13.199 224 1HB GLU 37 1HB GLU 37 2.518 -4.656 -13.593 225 2HB GLU 37 2HB GLU 37 4.072 -3.847 -13.609 226 1HG GLU 37 1HG GLU 37 3.811 -6.294 -15.334 227 2HG GLU 37 2HG GLU 37 2.923 -4.873 -15.848 228 H ASP 38 H ASP 38 2.223 -5.641 -11.123 229 HA ASP 38 HA ASP 38 3.379 -3.814 -9.419 230 1HB ASP 38 1HB ASP 38 1.054 -5.666 -9.399 231 2HB ASP 38 2HB ASP 38 1.648 -5.272 -7.798 232 H THR 39 H THR 39 2.958 -7.426 -9.132 233 HA THR 39 HA THR 39 4.398 -7.672 -6.729 234 HB THR 39 HB THR 39 4.311 -10.100 -7.337 235 HG1 THR 39 HG1 THR 39 3.032 -9.190 -9.779 236 1HG2 THR 39 1HG2 THR 39 1.806 -10.180 -8.087 237 2HG2 THR 39 2HG2 THR 39 2.160 -9.405 -6.524 238 3HG2 THR 39 3HG2 THR 39 1.854 -8.405 -7.964 239 H CYS 40 H CYS 40 5.393 -7.592 -10.154 240 HA CYS 40 HA CYS 40 7.980 -8.578 -9.678 241 1HB CYS 40 1HB CYS 40 6.650 -7.103 -11.936 242 2HB CYS 40 2HB CYS 40 8.394 -7.274 -11.933 243 HG CYS 40 HG CYS 40 7.529 -9.164 -13.424 244 H ARG 41 H ARG 41 6.397 -5.360 -9.583 245 HA ARG 41 HA ARG 41 8.738 -3.876 -9.484 246 1HB ARG 41 1HB ARG 41 7.258 -2.134 -9.456 247 2HB ARG 41 2HB ARG 41 5.994 -3.344 -9.546 248 1HG ARG 41 1HG ARG 41 5.811 -3.417 -7.092 249 2HG ARG 41 2HG ARG 41 7.191 -2.350 -6.918 250 1HD ARG 41 1HD ARG 41 5.208 -1.133 -8.689 251 2HD ARG 41 2HD ARG 41 4.454 -1.599 -7.177 252 HE ARG 41 HE ARG 41 6.515 0.461 -7.546 253 1HH1 ARG 41 2HH2 ARG 41 4.926 -1.669 -5.239 254 2HH1 ARG 41 1HH2 ARG 41 5.341 -0.701 -3.864 255 1HH2 ARG 41 2HH1 ARG 41 7.064 1.738 -5.732 256 2HH2 ARG 41 1HH1 ARG 41 6.566 1.250 -4.147 257 H ARG 42 H ARG 42 6.538 -5.168 -6.902 258 HA ARG 42 HA ARG 42 8.134 -4.108 -4.839 259 1HB ARG 42 1HB ARG 42 6.675 -5.831 -3.458 260 2HB ARG 42 2HB ARG 42 5.897 -4.439 -4.183 261 1HG ARG 42 1HG ARG 42 5.960 -6.490 -6.191 262 2HG ARG 42 2HG ARG 42 5.426 -7.253 -4.706 263 1HD ARG 42 1HD ARG 42 4.219 -4.627 -5.675 264 2HD ARG 42 2HD ARG 42 3.601 -6.177 -6.213 265 HE ARG 42 HE ARG 42 3.625 -6.503 -3.489 266 1HH1 ARG 42 2HH2 ARG 42 2.369 -3.944 -5.551 267 2HH1 ARG 42 1HH2 ARG 42 1.101 -3.508 -4.454 268 1HH2 ARG 42 2HH1 ARG 42 1.953 -5.929 -2.042 269 2HH2 ARG 42 1HH1 ARG 42 0.862 -4.645 -2.445 270 H GLN 43 H GLN 43 7.844 -7.242 -6.558 271 HA GLN 43 HA GLN 43 9.757 -8.430 -4.757 272 1HB GLN 43 1HB GLN 43 9.060 -10.489 -5.577 273 2HB GLN 43 2HB GLN 43 7.607 -9.545 -5.842 274 1HG GLN 43 1HG GLN 43 8.895 -9.018 -8.188 275 2HG GLN 43 2HG GLN 43 9.586 -10.590 -7.840 276 1HE2 GLN 43 2HE2 GLN 43 8.543 -11.536 -9.570 277 2HE2 GLN 43 1HE2 GLN 43 6.851 -11.906 -9.578 278 H ASP 44 H ASP 44 10.055 -6.242 -7.122 279 HA ASP 44 HA ASP 44 11.447 -5.801 -8.759 280 1HB ASP 44 1HB ASP 44 13.915 -6.347 -8.103 281 2HB ASP 44 2HB ASP 44 12.993 -5.287 -7.056 282 H PHE 45 H PHE 45 10.300 -7.651 -10.056 283 HA PHE 45 HA PHE 45 12.329 -9.641 -10.777 284 1HB PHE 45 1HB PHE 45 9.504 -9.864 -9.832 285 2HB PHE 45 2HB PHE 45 9.776 -10.730 -11.331 286 HD1 PHE 45 HD1 PHE 45 9.660 -12.962 -10.642 287 HD2 PHE 45 HD2 PHE 45 12.174 -10.275 -8.529 288 HE1 PHE 45 HE1 PHE 45 10.633 -14.885 -9.355 289 HE2 PHE 45 HE2 PHE 45 13.147 -12.197 -7.242 290 HZ PHE 45 HZ PHE 45 12.364 -14.479 -7.670 291 H ASN 46 H ASN 46 12.064 -10.496 -13.024 292 HA ASN 46 HA ASN 46 10.745 -8.492 -14.683 293 1HB ASN 46 1HB ASN 46 13.495 -9.586 -14.726 294 2HB ASN 46 2HB ASN 46 12.708 -9.739 -16.283 295 1HD2 ASN 46 2HD2 ASN 46 14.603 -8.216 -16.649 296 2HD2 ASN 46 1HD2 ASN 46 14.278 -6.517 -16.567 297 HA PRO 47 HA PRO 47 8.716 -12.011 -16.352 298 1HB PRO 47 1HB PRO 47 7.674 -10.944 -18.641 299 2HB PRO 47 2HB PRO 47 6.933 -10.742 -17.066 300 1HG PRO 47 1HG PRO 47 8.476 -8.783 -18.653 301 2HG PRO 47 2HG PRO 47 7.387 -8.494 -17.311 302 1HD PRO 47 1HD PRO 47 10.254 -8.452 -17.235 303 2HD PRO 47 2HD PRO 47 9.167 -8.279 -15.871 304 H SER 48 H SER 48 10.913 -10.254 -18.417 305 HA SER 48 HA SER 48 11.101 -12.253 -20.336 306 1HB SER 48 1HB SER 48 11.872 -9.842 -20.540 307 2HB SER 48 2HB SER 48 13.249 -10.242 -19.532 308 HG SER 48 HG SER 48 13.963 -11.758 -21.126 309 H GLU 49 H GLU 49 11.978 -12.286 -17.061 310 HA GLU 49 HA GLU 49 13.947 -14.368 -17.607 311 1HB GLU 49 1HB GLU 49 13.937 -12.280 -15.390 312 2HB GLU 49 2HB GLU 49 14.944 -13.713 -15.332 313 1HG GLU 49 1HG GLU 49 14.993 -11.863 -17.746 314 2HG GLU 49 2HG GLU 49 15.968 -11.524 -16.330 315 H TYR 50 H TYR 50 10.844 -13.710 -16.604 316 HA TYR 50 HA TYR 50 10.767 -16.179 -15.050 317 1HB TYR 50 1HB TYR 50 9.718 -13.375 -14.338 318 2HB TYR 50 2HB TYR 50 9.108 -14.809 -13.536 319 HD1 TYR 50 HD1 TYR 50 10.969 -12.184 -12.778 320 HD2 TYR 50 HD2 TYR 50 11.510 -16.418 -13.067 321 HE1 TYR 50 HE1 TYR 50 12.875 -12.062 -11.100 322 HE2 TYR 50 HE2 TYR 50 13.414 -16.282 -11.389 323 HH TYR 50 HH TYR 50 14.162 -13.255 -9.752 324 H ASP 51 H ASP 51 8.905 -17.395 -15.385 325 HA ASP 51 HA ASP 51 6.880 -16.099 -17.027 326 1HB ASP 51 1HB ASP 51 8.379 -18.674 -17.465 327 2HB ASP 51 2HB ASP 51 6.683 -18.655 -17.905 328 H LEU 52 H LEU 52 4.687 -16.944 -16.643 329 HA LEU 52 HA LEU 52 4.515 -18.704 -14.296 330 1HB LEU 52 1HB LEU 52 2.571 -16.494 -14.932 331 2HB LEU 52 2HB LEU 52 2.689 -17.448 -13.467 332 HG LEU 52 HG LEU 52 3.557 -15.352 -12.895 333 1HD1 LEU 52 1HD1 LEU 52 6.206 -16.552 -13.514 334 2HD1 LEU 52 2HD1 LEU 52 5.551 -15.924 -11.982 335 3HD1 LEU 52 3HD1 LEU 52 5.068 -17.536 -12.562 336 1HD2 LEU 52 1HD2 LEU 52 5.692 -14.705 -14.550 337 2HD2 LEU 52 2HD2 LEU 52 4.437 -15.287 -15.670 338 3HD2 LEU 52 3HD2 LEU 52 4.078 -13.954 -14.546 339 H LYS 53 H LYS 53 3.175 -20.464 -14.470 340 HA LYS 53 HA LYS 53 1.236 -20.509 -16.620 341 1HB LYS 53 1HB LYS 53 3.286 -21.280 -17.722 342 2HB LYS 53 2HB LYS 53 3.521 -22.499 -16.486 343 1HG LYS 53 1HG LYS 53 0.873 -22.435 -17.937 344 2HG LYS 53 2HG LYS 53 2.267 -23.066 -18.791 345 1HD LYS 53 1HD LYS 53 1.615 -24.039 -15.988 346 2HD LYS 53 2HD LYS 53 0.786 -24.716 -17.375 347 1HE LYS 53 1HE LYS 53 3.801 -24.535 -17.470 348 2HE LYS 53 2HE LYS 53 3.079 -25.776 -16.464 349 1HZ LYS 53 1HZ LYS 53 1.685 -26.178 -18.596 350 2HZ LYS 53 2HZ LYS 53 2.950 -25.467 -19.344 351 3HZ LYS 53 3HZ LYS 53 3.181 -26.817 -18.455 352 H PHE 54 H PHE 54 -0.496 -21.920 -16.197 353 HA PHE 54 HA PHE 54 -0.279 -23.387 -13.667 354 1HB PHE 54 1HB PHE 54 -1.766 -21.764 -12.913 355 2HB PHE 54 2HB PHE 54 -1.994 -21.133 -14.532 356 HD1 PHE 54 HD1 PHE 54 -2.931 -24.201 -12.606 357 HD2 PHE 54 HD2 PHE 54 -4.141 -21.196 -15.346 358 HE1 PHE 54 HE1 PHE 54 -5.240 -25.183 -12.663 359 HE2 PHE 54 HE2 PHE 54 -6.450 -22.178 -15.404 360 HZ PHE 54 HZ PHE 54 -6.972 -24.160 -14.062 361 H GLN 55 H GLN 55 -0.511 -25.524 -14.114 362 HA GLN 55 HA GLN 55 -1.159 -27.377 -15.045 363 1HB GLN 55 1HB GLN 55 -3.716 -25.762 -15.186 364 2HB GLN 55 2HB GLN 55 -3.676 -27.386 -15.844 365 1HG GLN 55 1HG GLN 55 -2.497 -27.060 -13.109 366 2HG GLN 55 2HG GLN 55 -4.231 -26.830 -13.223 367 1HE2 GLN 55 2HE2 GLN 55 -5.183 -28.594 -12.549 368 2HE2 GLN 55 1HE2 GLN 55 -4.825 -30.223 -13.018 369 H ARG 56 H ARG 56 -3.507 -26.039 -17.277 370 HA ARG 56 HA ARG 56 -1.567 -26.477 -19.399 371 1HB ARG 56 1HB ARG 56 -4.617 -26.709 -19.393 372 2HB ARG 56 2HB ARG 56 -3.649 -26.832 -20.849 373 1HG ARG 56 1HG ARG 56 -2.745 -28.571 -18.598 374 2HG ARG 56 2HG ARG 56 -4.324 -28.971 -19.245 375 1HD ARG 56 1HD ARG 56 -2.726 -28.502 -21.536 376 2HD ARG 56 2HD ARG 56 -1.672 -29.378 -20.444 377 HE ARG 56 HE ARG 56 -4.355 -30.541 -20.629 378 1HH1 ARG 56 2HH2 ARG 56 -1.141 -30.469 -22.061 379 2HH1 ARG 56 1HH2 ARG 56 -1.293 -32.032 -22.794 380 1HH2 ARG 56 2HH1 ARG 56 -4.556 -32.602 -21.596 381 2HH2 ARG 56 1HH1 ARG 56 -3.249 -33.253 -22.527 382 H THR 57 H THR 57 -2.406 -23.979 -17.673 383 HA THR 57 HA THR 57 -2.961 -22.226 -19.977 384 HB THR 57 HB THR 57 -3.972 -22.181 -17.096 385 HG1 THR 57 HG1 THR 57 -5.542 -23.103 -18.372 386 1HG2 THR 57 1HG2 THR 57 -5.206 -20.077 -18.409 387 2HG2 THR 57 2HG2 THR 57 -3.862 -19.879 -17.260 388 3HG2 THR 57 3HG2 THR 57 -3.537 -19.933 -19.009 389 H VAL 58 H VAL 58 -1.360 -20.890 -20.510 390 HA VAL 58 HA VAL 58 0.872 -20.669 -18.693 391 HB VAL 58 HB VAL 58 1.932 -19.513 -20.574 392 1HG1 VAL 58 1HG1 VAL 58 1.973 -21.989 -20.407 393 2HG1 VAL 58 2HG1 VAL 58 0.530 -22.061 -21.448 394 3HG1 VAL 58 3HG1 VAL 58 2.058 -21.410 -22.088 395 1HG2 VAL 58 1HG2 VAL 58 -0.251 -18.473 -21.392 396 2HG2 VAL 58 2HG2 VAL 58 0.860 -19.084 -22.642 397 3HG2 VAL 58 3HG2 VAL 58 -0.577 -20.032 -22.187 398 H LEU 59 H LEU 59 1.560 -18.789 -17.641 399 HA LEU 59 HA LEU 59 -0.372 -16.578 -17.759 400 1HB LEU 59 1HB LEU 59 1.060 -17.863 -15.460 401 2HB LEU 59 2HB LEU 59 0.574 -16.182 -15.366 402 HG LEU 59 HG LEU 59 -1.177 -17.301 -14.339 403 1HD1 LEU 59 1HD1 LEU 59 -1.777 -15.816 -16.420 404 2HD1 LEU 59 2HD1 LEU 59 -2.369 -17.357 -17.086 405 3HD1 LEU 59 3HD1 LEU 59 -3.037 -16.733 -15.559 406 1HD2 LEU 59 1HD2 LEU 59 -0.637 -19.568 -14.717 407 2HD2 LEU 59 2HD2 LEU 59 -2.277 -19.342 -15.370 408 3HD2 LEU 59 3HD2 LEU 59 -0.882 -19.419 -16.473 409 H ASP 60 H ASP 60 0.426 -14.770 -18.673 410 HA ASP 60 HA ASP 60 3.228 -14.205 -18.194 411 1HB ASP 60 1HB ASP 60 2.554 -15.264 -20.572 412 2HB ASP 60 2HB ASP 60 2.056 -13.620 -20.916 413 H LEU 61 H LEU 61 3.053 -11.896 -20.142 414 HA LEU 61 HA LEU 61 1.528 -10.121 -18.422 415 1HB LEU 61 1HB LEU 61 3.520 -9.607 -20.635 416 2HB LEU 61 2HB LEU 61 2.700 -8.353 -19.726 417 HG LEU 61 HG LEU 61 4.331 -10.446 -18.302 418 1HD1 LEU 61 1HD1 LEU 61 5.357 -8.556 -20.208 419 2HD1 LEU 61 2HD1 LEU 61 5.922 -8.131 -18.575 420 3HD1 LEU 61 3HD1 LEU 61 6.225 -9.759 -19.226 421 1HD2 LEU 61 1HD2 LEU 61 4.627 -7.990 -17.052 422 2HD2 LEU 61 2HD2 LEU 61 2.932 -7.987 -17.596 423 3HD2 LEU 61 3HD2 LEU 61 3.532 -9.307 -16.563 424 H SER 62 H SER 62 1.714 -11.247 -21.840 425 HA SER 62 HA SER 62 -0.533 -9.608 -22.513 426 1HB SER 62 1HB SER 62 -0.265 -10.640 -24.775 427 2HB SER 62 2HB SER 62 1.216 -9.914 -24.183 428 HG SER 62 HG SER 62 1.479 -12.083 -25.141 429 H LEU 63 H LEU 63 -1.145 -11.378 -20.384 430 HA LEU 63 HA LEU 63 -3.186 -12.989 -21.683 431 1HB LEU 63 1HB LEU 63 -1.252 -14.127 -19.660 432 2HB LEU 63 2HB LEU 63 -2.669 -14.938 -20.296 433 HG LEU 63 HG LEU 63 -0.352 -14.031 -22.022 434 1HD1 LEU 63 1HD1 LEU 63 0.520 -15.629 -20.449 435 2HD1 LEU 63 2HD1 LEU 63 -0.847 -16.732 -20.742 436 3HD1 LEU 63 3HD1 LEU 63 0.337 -16.419 -22.034 437 1HD2 LEU 63 1HD2 LEU 63 -1.833 -14.422 -23.647 438 2HD2 LEU 63 2HD2 LEU 63 -1.596 -16.145 -23.271 439 3HD2 LEU 63 3HD2 LEU 63 -2.960 -15.256 -22.551 440 H GLN 64 H GLN 64 -4.960 -11.949 -20.911 441 HA GLN 64 HA GLN 64 -4.872 -10.950 -18.218 442 1HB GLN 64 1HB GLN 64 -7.145 -10.812 -20.246 443 2HB GLN 64 2HB GLN 64 -7.004 -9.869 -18.776 444 1HG GLN 64 1HG GLN 64 -6.013 -8.293 -20.094 445 2HG GLN 64 2HG GLN 64 -4.586 -9.306 -19.995 446 1HE2 GLN 64 2HE2 GLN 64 -6.739 -7.800 -22.015 447 2HE2 GLN 64 1HE2 GLN 64 -6.439 -8.642 -23.499 448 H TRP 65 H TRP 65 -6.488 -11.517 -16.578 449 HA TRP 65 HA TRP 65 -6.923 -14.279 -16.413 450 1HB TRP 65 1HB TRP 65 -6.652 -13.035 -14.422 451 2HB TRP 65 2HB TRP 65 -7.935 -11.917 -14.841 452 HD1 TRP 65 HD1 TRP 65 -10.405 -13.706 -15.347 453 HE1 TRP 65 HE1 TRP 65 -11.524 -15.278 -13.548 454 HE3 TRP 65 HE3 TRP 65 -6.300 -14.100 -12.373 455 HZ2 TRP 65 HZ2 TRP 65 -10.588 -16.483 -11.136 456 HZ3 TRP 65 HZ3 TRP 65 -6.487 -15.494 -10.314 457 HH2 TRP 65 HH2 TRP 65 -8.538 -16.662 -9.679 458 H ARG 66 H ARG 66 -8.945 -11.469 -17.408 459 HA ARG 66 HA ARG 66 -11.354 -12.741 -17.493 460 1HB ARG 66 1HB ARG 66 -11.952 -10.993 -19.236 461 2HB ARG 66 2HB ARG 66 -11.190 -10.329 -17.805 462 1HG ARG 66 1HG ARG 66 -8.956 -10.436 -19.040 463 2HG ARG 66 2HG ARG 66 -9.838 -10.900 -20.482 464 1HD ARG 66 1HD ARG 66 -11.045 -8.531 -19.231 465 2HD ARG 66 2HD ARG 66 -9.347 -8.263 -19.576 466 HE ARG 66 HE ARG 66 -10.295 -9.443 -21.903 467 1HH1 ARG 66 2HH2 ARG 66 -11.255 -6.639 -20.007 468 2HH1 ARG 66 1HH2 ARG 66 -11.877 -5.770 -21.370 469 1HH2 ARG 66 2HH1 ARG 66 -11.115 -8.298 -23.702 470 2HH2 ARG 66 1HH1 ARG 66 -11.797 -6.721 -23.486 471 H PHE 67 H PHE 67 -8.514 -13.284 -19.400 472 HA PHE 67 HA PHE 67 -10.104 -14.612 -21.477 473 1HB PHE 67 1HB PHE 67 -7.337 -13.335 -21.265 474 2HB PHE 67 2HB PHE 67 -7.620 -14.534 -22.511 475 HD1 PHE 67 HD1 PHE 67 -10.238 -13.970 -23.536 476 HD2 PHE 67 HD2 PHE 67 -7.267 -11.241 -22.219 477 HE1 PHE 67 HE1 PHE 67 -11.208 -12.196 -25.023 478 HE2 PHE 67 HE2 PHE 67 -8.238 -9.467 -23.706 479 HZ PHE 67 HZ PHE 67 -10.197 -9.966 -25.090 480 H ALA 68 H ALA 68 -6.887 -14.954 -19.801 481 HA ALA 68 HA ALA 68 -6.588 -17.649 -20.369 482 1HB ALA 68 1HB ALA 68 -4.790 -16.143 -19.601 483 2HB ALA 68 2HB ALA 68 -5.566 -16.025 -18.003 484 3HB ALA 68 3HB ALA 68 -4.907 -17.582 -18.560 485 H ASN 69 H ASN 69 -8.805 -16.028 -18.252 486 HA ASN 69 HA ASN 69 -10.099 -16.687 -16.619 487 1HB ASN 69 1HB ASN 69 -11.345 -18.848 -17.078 488 2HB ASN 69 2HB ASN 69 -11.257 -17.794 -18.475 489 1HD2 ASN 69 2HD2 ASN 69 -10.564 -20.841 -17.177 490 2HD2 ASN 69 1HD2 ASN 69 -9.669 -21.527 -18.492 491 H LEU 70 H LEU 70 -8.712 -16.859 -14.761 492 HA LEU 70 HA LEU 70 -7.301 -19.373 -14.378 493 1HB LEU 70 1HB LEU 70 -7.253 -16.752 -12.879 494 2HB LEU 70 2HB LEU 70 -6.335 -18.171 -12.416 495 HG LEU 70 HG LEU 70 -4.675 -17.389 -13.668 496 1HD1 LEU 70 1HD1 LEU 70 -4.797 -17.663 -16.121 497 2HD1 LEU 70 2HD1 LEU 70 -5.429 -19.072 -15.234 498 3HD1 LEU 70 3HD1 LEU 70 -6.554 -17.915 -15.986 499 1HD2 LEU 70 1HD2 LEU 70 -5.214 -15.155 -13.642 500 2HD2 LEU 70 2HD2 LEU 70 -5.166 -15.476 -15.392 501 3HD2 LEU 70 3HD2 LEU 70 -6.729 -15.392 -14.545 502 HA PRO 71 HA PRO 71 -10.162 -20.890 -11.527 503 1HB PRO 71 1HB PRO 71 -8.609 -22.325 -9.796 504 2HB PRO 71 2HB PRO 71 -9.081 -22.917 -11.376 505 1HG PRO 71 1HG PRO 71 -6.457 -21.881 -10.493 506 2HG PRO 71 2HG PRO 71 -6.836 -22.854 -11.901 507 1HD PRO 71 1HD PRO 71 -6.291 -20.038 -11.856 508 2HD PRO 71 2HD PRO 71 -6.784 -20.988 -13.244 509 H ASN 72 H ASN 72 -10.818 -21.144 -9.143 510 HA ASN 72 HA ASN 72 -11.263 -18.813 -8.079 511 1HB ASN 72 1HB ASN 72 -10.762 -20.107 -5.736 512 2HB ASN 72 2HB ASN 72 -12.154 -20.484 -6.732 513 1HD2 ASN 72 2HD2 ASN 72 -9.893 -21.869 -4.976 514 2HD2 ASN 72 1HD2 ASN 72 -9.595 -23.350 -5.825 515 H ASN 73 H ASN 73 -8.825 -20.615 -6.158 516 HA ASN 73 HA ASN 73 -7.494 -18.320 -5.406 517 1HB ASN 73 1HB ASN 73 -6.968 -21.287 -5.247 518 2HB ASN 73 2HB ASN 73 -5.605 -20.230 -4.938 519 1HD2 ASN 73 2HD2 ASN 73 -5.944 -21.456 -2.844 520 2HD2 ASN 73 1HD2 ASN 73 -6.916 -20.699 -1.627 521 H ALA 74 H ALA 74 -7.624 -19.733 -8.436 522 HA ALA 74 HA ALA 74 -6.148 -20.044 -10.134 523 1HB ALA 74 1HB ALA 74 -5.249 -17.703 -10.771 524 2HB ALA 74 2HB ALA 74 -7.010 -17.890 -10.596 525 3HB ALA 74 3HB ALA 74 -6.062 -17.135 -9.293 526 H LYS 75 H LYS 75 -4.607 -21.544 -9.265 527 HA LYS 75 HA LYS 75 -2.244 -20.345 -8.050 528 1HB LYS 75 1HB LYS 75 -1.673 -22.564 -7.350 529 2HB LYS 75 2HB LYS 75 -3.355 -22.278 -6.952 530 1HG LYS 75 1HG LYS 75 -3.479 -23.328 -9.555 531 2HG LYS 75 2HG LYS 75 -2.181 -24.243 -8.814 532 1HD LYS 75 1HD LYS 75 -3.831 -24.522 -6.784 533 2HD LYS 75 2HD LYS 75 -5.074 -24.023 -7.914 534 1HE LYS 75 1HE LYS 75 -4.354 -25.875 -9.474 535 2HE LYS 75 2HE LYS 75 -3.182 -26.396 -8.281 536 1HZ LYS 75 1HZ LYS 75 -6.100 -26.372 -8.005 537 2HZ LYS 75 2HZ LYS 75 -5.099 -27.662 -7.954 538 3HZ LYS 75 3HZ LYS 75 -5.104 -26.584 -6.728 539 H LEU 76 H LEU 76 -0.497 -19.849 -9.256 540 HA LEU 76 HA LEU 76 -0.236 -21.263 -11.819 541 1HB LEU 76 1HB LEU 76 1.008 -18.605 -11.541 542 2HB LEU 76 2HB LEU 76 0.213 -19.351 -12.913 543 HG LEU 76 HG LEU 76 -1.184 -17.579 -12.416 544 1HD1 LEU 76 1HD1 LEU 76 -3.128 -18.659 -12.258 545 2HD1 LEU 76 2HD1 LEU 76 -2.161 -20.133 -12.010 546 3HD1 LEU 76 3HD1 LEU 76 -2.780 -19.227 -10.607 547 1HD2 LEU 76 1HD2 LEU 76 -0.127 -17.881 -9.729 548 2HD2 LEU 76 2HD2 LEU 76 -0.800 -16.448 -10.542 549 3HD2 LEU 76 3HD2 LEU 76 -1.884 -17.595 -9.718 550 H GLU 77 H GLU 77 1.980 -21.671 -12.543 551 HA GLU 77 HA GLU 77 3.692 -22.033 -10.224 552 1HB GLU 77 1HB GLU 77 4.413 -23.988 -11.169 553 2HB GLU 77 2HB GLU 77 2.914 -23.871 -12.069 554 1HG GLU 77 1HG GLU 77 4.153 -22.634 -13.896 555 2HG GLU 77 2HG GLU 77 5.645 -22.874 -13.008 556 H MET 78 H MET 78 5.739 -21.094 -10.095 557 HA MET 78 HA MET 78 6.234 -19.066 -12.076 558 1HB MET 78 1HB MET 78 6.496 -19.167 -9.320 559 2HB MET 78 2HB MET 78 8.145 -19.517 -9.802 560 1HG MET 78 1HG MET 78 6.501 -17.072 -10.612 561 2HG MET 78 2HG MET 78 7.876 -17.088 -9.525 562 1HE MET 78 1HE MET 78 10.048 -15.637 -11.142 563 2HE MET 78 2HE MET 78 9.904 -16.899 -9.895 564 3HE MET 78 3HE MET 78 10.884 -17.195 -11.351 565 H VAL 79 H VAL 79 7.922 -19.067 -13.557 566 HA VAL 79 HA VAL 79 10.021 -21.046 -13.241 567 HB VAL 79 HB VAL 79 7.992 -21.983 -14.537 568 1HG1 VAL 79 1HG1 VAL 79 9.221 -20.249 -16.707 569 2HG1 VAL 79 2HG1 VAL 79 7.932 -21.458 -16.924 570 3HG1 VAL 79 3HG1 VAL 79 7.628 -19.996 -15.954 571 1HG2 VAL 79 1HG2 VAL 79 9.394 -23.445 -15.658 572 2HG2 VAL 79 2HG2 VAL 79 10.539 -22.164 -16.122 573 3HG2 VAL 79 3HG2 VAL 79 10.499 -22.756 -14.444 574 HA PRO 80 HA PRO 80 12.161 -17.616 -14.807 575 1HB PRO 80 1HB PRO 80 14.642 -18.733 -15.054 576 2HB PRO 80 2HB PRO 80 14.017 -18.115 -13.538 577 1HG PRO 80 1HG PRO 80 14.324 -20.923 -14.408 578 2HG PRO 80 2HG PRO 80 14.112 -20.293 -12.787 579 1HD PRO 80 1HD PRO 80 12.118 -21.572 -14.404 580 2HD PRO 80 2HD PRO 80 11.879 -20.838 -12.831 581 H VAL 81 H VAL 81 12.342 -16.594 -16.716 582 HA VAL 81 HA VAL 81 13.536 -17.515 -18.926 583 HB VAL 81 HB VAL 81 11.299 -18.264 -20.175 584 1HG1 VAL 81 1HG1 VAL 81 12.703 -19.951 -20.564 585 2HG1 VAL 81 2HG1 VAL 81 13.628 -19.568 -19.093 586 3HG1 VAL 81 3HG1 VAL 81 12.231 -20.668 -19.005 587 1HG2 VAL 81 1HG2 VAL 81 10.410 -18.231 -17.544 588 2HG2 VAL 81 2HG2 VAL 81 9.639 -19.075 -18.909 589 3HG2 VAL 81 3HG2 VAL 81 10.767 -19.949 -17.845 590 H SER 82 H SER 82 11.701 -16.760 -21.003 591 HA SER 82 HA SER 82 11.077 -14.049 -20.120 592 1HB SER 82 1HB SER 82 11.789 -13.201 -22.276 593 2HB SER 82 2HB SER 82 13.084 -14.190 -21.631 594 HG SER 82 HG SER 82 11.347 -15.739 -23.115 595 H ARG 83 H ARG 83 9.430 -12.969 -21.750 596 HA ARG 83 HA ARG 83 7.092 -14.259 -21.599 597 1HB ARG 83 1HB ARG 83 8.125 -12.147 -23.521 598 2HB ARG 83 2HB ARG 83 6.490 -12.749 -23.705 599 1HG ARG 83 1HG ARG 83 5.769 -11.846 -21.667 600 2HG ARG 83 2HG ARG 83 7.363 -11.922 -20.941 601 1HD ARG 83 1HD ARG 83 7.209 -10.118 -23.302 602 2HD ARG 83 2HD ARG 83 6.189 -9.622 -21.967 603 HE ARG 83 HE ARG 83 8.873 -10.365 -21.091 604 1HH1 ARG 83 2HH2 ARG 83 6.931 -7.754 -22.430 605 2HH1 ARG 83 1HH2 ARG 83 7.974 -6.504 -21.840 606 1HH2 ARG 83 2HH1 ARG 83 10.250 -8.716 -20.312 607 2HH2 ARG 83 1HH1 ARG 83 9.875 -7.055 -20.627 608 H SER 84 H SER 84 6.650 -16.320 -22.355 609 HA SER 84 HA SER 84 6.724 -18.104 -23.628 610 1HB SER 84 1HB SER 84 5.736 -17.772 -25.903 611 2HB SER 84 2HB SER 84 4.860 -16.916 -24.650 612 HG SER 84 HG SER 84 6.949 -15.596 -26.127 613 H ARG 85 H ARG 85 8.933 -18.757 -23.590 614 HA ARG 85 HA ARG 85 10.939 -19.122 -24.314 615 1HB ARG 85 1HB ARG 85 9.279 -19.030 -26.802 616 2HB ARG 85 2HB ARG 85 11.009 -18.931 -27.067 617 1HG ARG 85 1HG ARG 85 10.888 -20.971 -25.209 618 2HG ARG 85 2HG ARG 85 9.373 -21.211 -26.057 619 1HD ARG 85 1HD ARG 85 10.745 -22.444 -27.462 620 2HD ARG 85 2HD ARG 85 10.944 -20.880 -28.225 621 HE ARG 85 HE ARG 85 12.921 -20.857 -26.302 622 1HH1 ARG 85 2HH2 ARG 85 12.045 -23.150 -28.823 623 2HH1 ARG 85 1HH2 ARG 85 13.663 -23.731 -29.035 624 1HH2 ARG 85 2HH1 ARG 85 15.056 -21.623 -26.581 625 2HH2 ARG 85 1HH1 ARG 85 15.387 -22.856 -27.751 Start of MODEL 20 1 H SER 10 H SER 10 -12.178 -12.980 -6.457 2 HA SER 10 HA SER 10 -11.222 -15.680 -6.975 3 1HB SER 10 1HB SER 10 -11.061 -13.135 -8.646 4 2HB SER 10 2HB SER 10 -10.242 -14.623 -9.078 5 HG SER 10 HG SER 10 -12.088 -15.074 -10.077 6 H ALA 11 H ALA 11 -8.960 -16.139 -6.842 7 HA ALA 11 HA ALA 11 -7.225 -13.944 -6.030 8 1HB ALA 11 1HB ALA 11 -7.259 -16.523 -4.448 9 2HB ALA 11 2HB ALA 11 -6.561 -14.946 -4.006 10 3HB ALA 11 3HB ALA 11 -8.327 -15.168 -4.013 11 H VAL 12 H VAL 12 -4.944 -14.439 -6.355 12 HA VAL 12 HA VAL 12 -4.577 -16.762 -8.120 13 HB VAL 12 HB VAL 12 -4.204 -13.972 -8.595 14 1HG1 VAL 12 1HG1 VAL 12 -1.639 -15.595 -8.717 15 2HG1 VAL 12 2HG1 VAL 12 -1.873 -13.973 -9.411 16 3HG1 VAL 12 3HG1 VAL 12 -1.965 -14.208 -7.649 17 1HG2 VAL 12 1HG2 VAL 12 -3.522 -14.873 -10.881 18 2HG2 VAL 12 2HG2 VAL 12 -3.745 -16.501 -10.196 19 3HG2 VAL 12 3HG2 VAL 12 -5.120 -15.373 -10.275 20 H SER 13 H SER 13 -2.758 -18.056 -7.772 21 HA SER 13 HA SER 13 -1.081 -17.212 -5.546 22 1HB SER 13 1HB SER 13 -2.808 -18.930 -4.844 23 2HB SER 13 2HB SER 13 -2.100 -20.053 -5.987 24 HG SER 13 HG SER 13 -0.288 -18.826 -4.186 25 H VAL 14 H VAL 14 1.111 -17.408 -5.969 26 HA VAL 14 HA VAL 14 1.827 -19.009 -8.329 27 HB VAL 14 HB VAL 14 3.612 -16.800 -7.591 28 1HG1 VAL 14 1HG1 VAL 14 2.543 -18.138 -10.025 29 2HG1 VAL 14 2HG1 VAL 14 3.019 -16.431 -10.192 30 3HG1 VAL 14 3HG1 VAL 14 4.202 -17.634 -9.624 31 1HG2 VAL 14 1HG2 VAL 14 0.756 -16.245 -8.429 32 2HG2 VAL 14 2HG2 VAL 14 1.657 -15.570 -7.050 33 3HG2 VAL 14 3HG2 VAL 14 2.086 -15.096 -8.712 34 H LEU 15 H LEU 15 3.002 -20.767 -7.792 35 HA LEU 15 HA LEU 15 4.531 -20.619 -5.293 36 1HB LEU 15 1HB LEU 15 4.166 -22.860 -4.969 37 2HB LEU 15 2HB LEU 15 2.641 -22.310 -5.633 38 HG LEU 15 HG LEU 15 3.152 -24.409 -6.629 39 1HD1 LEU 15 1HD1 LEU 15 2.125 -22.886 -8.164 40 2HD1 LEU 15 2HD1 LEU 15 3.693 -22.141 -8.560 41 3HD1 LEU 15 3HD1 LEU 15 3.356 -23.819 -9.048 42 1HD2 LEU 15 1HD2 LEU 15 5.531 -23.938 -8.129 43 2HD2 LEU 15 2HD2 LEU 15 5.857 -23.543 -6.424 44 3HD2 LEU 15 3HD2 LEU 15 5.227 -25.150 -6.861 45 H ALA 16 H ALA 16 6.687 -20.373 -5.472 46 HA ALA 16 HA ALA 16 7.892 -20.739 -8.072 47 1HB ALA 16 1HB ALA 16 9.477 -20.021 -5.637 48 2HB ALA 16 2HB ALA 16 9.539 -19.342 -7.281 49 3HB ALA 16 3HB ALA 16 8.230 -18.869 -6.171 50 HA PRO 17 HA PRO 17 9.332 -24.715 -7.085 51 1HB PRO 17 1HB PRO 17 10.971 -25.111 -9.235 52 2HB PRO 17 2HB PRO 17 9.239 -25.368 -9.291 53 1HG PRO 17 1HG PRO 17 10.818 -23.135 -10.412 54 2HG PRO 17 2HG PRO 17 9.185 -23.631 -10.808 55 1HD PRO 17 1HD PRO 17 9.953 -21.395 -9.184 56 2HD PRO 17 2HD PRO 17 8.322 -21.961 -9.485 57 H ASN 18 H ASN 18 11.137 -21.929 -7.017 58 HA ASN 18 HA ASN 18 13.611 -23.207 -6.482 59 1HB ASN 18 1HB ASN 18 14.438 -20.948 -6.061 60 2HB ASN 18 2HB ASN 18 13.355 -20.859 -7.436 61 1HD2 ASN 18 2HD2 ASN 18 12.066 -19.199 -7.412 62 2HD2 ASN 18 1HD2 ASN 18 11.354 -18.432 -6.032 63 H GLY 19 H GLY 19 10.758 -23.149 -4.806 64 1HA GLY 19 1HA GLY 19 10.538 -24.005 -2.644 65 2HA GLY 19 2HA GLY 19 12.110 -23.362 -2.211 66 H ARG 20 H ARG 20 10.138 -21.189 -4.096 67 HA ARG 20 HA ARG 20 9.533 -19.765 -1.632 68 1HB ARG 20 1HB ARG 20 10.513 -18.898 -4.324 69 2HB ARG 20 2HB ARG 20 9.306 -17.852 -3.606 70 1HG ARG 20 1HG ARG 20 11.632 -18.779 -1.907 71 2HG ARG 20 2HG ARG 20 11.895 -17.501 -3.076 72 1HD ARG 20 1HD ARG 20 10.114 -16.130 -2.055 73 2HD ARG 20 2HD ARG 20 9.685 -17.434 -0.965 74 HE ARG 20 HE ARG 20 11.965 -15.619 -0.702 75 1HH1 ARG 20 2HH2 ARG 20 10.696 -18.779 0.184 76 2HH1 ARG 20 1HH2 ARG 20 11.687 -18.923 1.597 77 1HH2 ARG 20 2HH1 ARG 20 13.274 -15.808 1.162 78 2HH2 ARG 20 1HH1 ARG 20 13.164 -17.222 2.157 79 H ARG 21 H ARG 21 7.368 -19.837 -1.115 80 HA ARG 21 HA ARG 21 5.531 -20.092 -3.355 81 1HB ARG 21 1HB ARG 21 5.766 -21.558 -0.914 82 2HB ARG 21 2HB ARG 21 4.313 -20.594 -0.743 83 1HG ARG 21 1HG ARG 21 4.403 -21.719 -3.425 84 2HG ARG 21 2HG ARG 21 4.649 -23.000 -2.255 85 1HD ARG 21 1HD ARG 21 2.580 -21.581 -1.072 86 2HD ARG 21 2HD ARG 21 2.222 -21.352 -2.772 87 HE ARG 21 HE ARG 21 2.803 -24.082 -2.529 88 1HH1 ARG 21 2HH2 ARG 21 0.474 -21.859 -1.109 89 2HH1 ARG 21 1HH2 ARG 21 -0.735 -23.076 -0.872 90 1HH2 ARG 21 2HH1 ARG 21 1.208 -25.688 -2.217 91 2HH2 ARG 21 1HH1 ARG 21 -0.315 -25.268 -1.507 92 H HIS 22 H HIS 22 4.244 -18.322 -3.790 93 HA HIS 22 HA HIS 22 3.547 -16.590 -1.559 94 1HB HIS 22 1HB HIS 22 4.103 -14.580 -2.829 95 2HB HIS 22 2HB HIS 22 5.521 -15.560 -2.516 96 HD1 HIS 22 HD1 HIS 22 5.685 -17.499 -4.775 97 HD2 HIS 22 HD2 HIS 22 4.355 -13.561 -5.338 98 HE1 HIS 22 HE1 HIS 22 6.028 -16.976 -7.248 99 H THR 23 H THR 23 1.454 -15.785 -1.684 100 HA THR 23 HA THR 23 -0.004 -16.468 -4.154 101 HB THR 23 HB THR 23 -0.589 -17.987 -2.285 102 HG1 THR 23 HG1 THR 23 -2.783 -17.544 -2.637 103 1HG2 THR 23 1HG2 THR 23 -1.473 -17.189 -0.194 104 2HG2 THR 23 2HG2 THR 23 0.008 -16.235 -0.445 105 3HG2 THR 23 3HG2 THR 23 -1.583 -15.517 -0.794 106 H VAL 24 H VAL 24 -0.925 -14.831 -5.218 107 HA VAL 24 HA VAL 24 -1.324 -12.352 -3.690 108 HB VAL 24 HB VAL 24 -0.426 -12.718 -6.554 109 1HG1 VAL 24 1HG1 VAL 24 -0.449 -10.372 -6.823 110 2HG1 VAL 24 2HG1 VAL 24 -2.011 -10.766 -6.065 111 3HG1 VAL 24 3HG1 VAL 24 -0.690 -10.089 -5.082 112 1HG2 VAL 24 1HG2 VAL 24 0.988 -12.190 -3.996 113 2HG2 VAL 24 2HG2 VAL 24 1.560 -12.977 -5.487 114 3HG2 VAL 24 3HG2 VAL 24 1.488 -11.201 -5.389 115 H LYS 25 H LYS 25 -3.384 -11.587 -3.660 116 HA LYS 25 HA LYS 25 -5.361 -13.086 -5.120 117 1HB LYS 25 1HB LYS 25 -6.963 -11.812 -3.802 118 2HB LYS 25 2HB LYS 25 -5.726 -12.506 -2.774 119 1HG LYS 25 1HG LYS 25 -4.504 -10.312 -2.780 120 2HG LYS 25 2HG LYS 25 -5.764 -9.622 -3.784 121 1HD LYS 25 1HD LYS 25 -7.452 -10.115 -1.996 122 2HD LYS 25 2HD LYS 25 -6.183 -10.788 -0.991 123 1HE LYS 25 1HE LYS 25 -6.213 -8.615 -0.159 124 2HE LYS 25 2HE LYS 25 -5.014 -8.419 -1.422 125 1HZ LYS 25 1HZ LYS 25 -6.896 -6.786 -1.368 126 2HZ LYS 25 2HZ LYS 25 -6.584 -7.464 -2.821 127 3HZ LYS 25 3HZ LYS 25 -7.861 -7.973 -1.939 128 H VAL 26 H VAL 26 -5.822 -12.638 -7.202 129 HA VAL 26 HA VAL 26 -5.599 -9.823 -8.018 130 HB VAL 26 HB VAL 26 -4.905 -10.517 -10.134 131 1HG1 VAL 26 1HG1 VAL 26 -3.629 -12.137 -7.936 132 2HG1 VAL 26 2HG1 VAL 26 -3.055 -12.271 -9.615 133 3HG1 VAL 26 3HG1 VAL 26 -3.013 -10.698 -8.783 134 1HG2 VAL 26 1HG2 VAL 26 -6.208 -12.206 -10.938 135 2HG2 VAL 26 2HG2 VAL 26 -4.782 -13.174 -10.491 136 3HG2 VAL 26 3HG2 VAL 26 -6.189 -13.106 -9.403 137 H THR 27 H THR 27 -7.119 -9.340 -9.969 138 HA THR 27 HA THR 27 -9.748 -10.419 -9.241 139 HB THR 27 HB THR 27 -9.457 -8.051 -11.051 140 HG1 THR 27 HG1 THR 27 -7.909 -7.296 -9.641 141 1HG2 THR 27 1HG2 THR 27 -10.844 -7.272 -8.793 142 2HG2 THR 27 2HG2 THR 27 -11.616 -8.005 -10.220 143 3HG2 THR 27 3HG2 THR 27 -11.193 -9.017 -8.818 144 HA PRO 28 HA PRO 28 -10.148 -12.452 -12.996 145 1HB PRO 28 1HB PRO 28 -12.860 -12.480 -13.332 146 2HB PRO 28 2HB PRO 28 -12.015 -13.586 -12.268 147 1HG PRO 28 1HG PRO 28 -13.644 -11.221 -11.567 148 2HG PRO 28 2HG PRO 28 -13.156 -12.559 -10.546 149 1HD PRO 28 1HD PRO 28 -12.030 -9.921 -10.573 150 2HD PRO 28 2HD PRO 28 -11.467 -11.292 -9.637 151 H SER 29 H SER 29 -10.989 -9.223 -12.684 152 HA SER 29 HA SER 29 -11.276 -9.070 -15.581 153 1HB SER 29 1HB SER 29 -12.174 -6.686 -14.960 154 2HB SER 29 2HB SER 29 -13.216 -8.075 -14.725 155 HG SER 29 HG SER 29 -13.106 -7.862 -12.569 156 H THR 30 H THR 30 -9.027 -8.810 -13.134 157 HA THR 30 HA THR 30 -7.741 -6.391 -14.116 158 HB THR 30 HB THR 30 -7.570 -8.221 -11.733 159 HG1 THR 30 HG1 THR 30 -7.174 -5.879 -10.951 160 1HG2 THR 30 1HG2 THR 30 -5.211 -6.902 -13.057 161 2HG2 THR 30 2HG2 THR 30 -5.394 -6.639 -11.306 162 3HG2 THR 30 3HG2 THR 30 -5.249 -8.293 -11.947 163 H VAL 31 H VAL 31 -5.838 -6.280 -15.261 164 HA VAL 31 HA VAL 31 -5.250 -8.617 -16.804 165 HB VAL 31 HB VAL 31 -3.492 -7.029 -17.757 166 1HG1 VAL 31 1HG1 VAL 31 -5.055 -6.709 -19.314 167 2HG1 VAL 31 2HG1 VAL 31 -6.291 -7.249 -18.153 168 3HG1 VAL 31 3HG1 VAL 31 -5.886 -5.521 -18.283 169 1HG2 VAL 31 1HG2 VAL 31 -3.652 -5.579 -15.588 170 2HG2 VAL 31 2HG2 VAL 31 -3.443 -4.783 -17.167 171 3HG2 VAL 31 3HG2 VAL 31 -5.050 -4.838 -16.403 172 H LEU 32 H LEU 32 -3.674 -10.115 -16.460 173 HA LEU 32 HA LEU 32 -2.370 -10.241 -14.019 174 1HB LEU 32 1HB LEU 32 -2.056 -11.630 -16.656 175 2HB LEU 32 2HB LEU 32 -0.905 -11.925 -15.369 176 HG LEU 32 HG LEU 32 -2.940 -13.505 -15.664 177 1HD1 LEU 32 1HD1 LEU 32 -2.501 -14.285 -13.599 178 2HD1 LEU 32 2HD1 LEU 32 -1.244 -13.024 -13.608 179 3HD1 LEU 32 3HD1 LEU 32 -2.809 -12.715 -12.819 180 1HD2 LEU 32 1HD2 LEU 32 -4.733 -11.951 -15.790 181 2HD2 LEU 32 2HD2 LEU 32 -4.893 -12.803 -14.235 182 3HD2 LEU 32 3HD2 LEU 32 -4.237 -11.149 -14.280 183 H LEU 33 H LEU 33 -1.667 -8.390 -16.891 184 HA LEU 33 HA LEU 33 1.114 -8.198 -16.603 185 1HB LEU 33 1HB LEU 33 0.964 -6.380 -18.131 186 2HB LEU 33 2HB LEU 33 -0.143 -7.642 -18.634 187 HG LEU 33 HG LEU 33 -1.820 -6.086 -17.157 188 1HD1 LEU 33 1HD1 LEU 33 -1.181 -3.972 -16.907 189 2HD1 LEU 33 2HD1 LEU 33 0.459 -4.492 -17.364 190 3HD1 LEU 33 3HD1 LEU 33 -0.650 -3.856 -18.602 191 1HD2 LEU 33 1HD2 LEU 33 -1.182 -5.667 -20.090 192 2HD2 LEU 33 2HD2 LEU 33 -2.181 -6.985 -19.431 193 3HD2 LEU 33 3HD2 LEU 33 -2.713 -5.295 -19.261 194 H GLN 34 H GLN 34 -1.641 -6.311 -15.242 195 HA GLN 34 HA GLN 34 0.013 -4.410 -14.029 196 1HB GLN 34 1HB GLN 34 -1.967 -3.544 -13.092 197 2HB GLN 34 2HB GLN 34 -2.535 -4.320 -14.557 198 1HG GLN 34 1HG GLN 34 -4.053 -5.228 -13.055 199 2HG GLN 34 2HG GLN 34 -2.797 -6.446 -12.945 200 1HE2 GLN 34 2HE2 GLN 34 -4.398 -3.788 -11.407 201 2HE2 GLN 34 1HE2 GLN 34 -3.709 -3.947 -9.825 202 H VAL 35 H VAL 35 -1.376 -7.555 -12.984 203 HA VAL 35 HA VAL 35 -0.545 -7.262 -10.282 204 HB VAL 35 HB VAL 35 -1.551 -9.270 -9.955 205 1HG1 VAL 35 1HG1 VAL 35 -3.016 -7.657 -11.358 206 2HG1 VAL 35 2HG1 VAL 35 -2.775 -8.827 -12.678 207 3HG1 VAL 35 3HG1 VAL 35 -3.554 -9.342 -11.162 208 1HG2 VAL 35 1HG2 VAL 35 -1.502 -11.182 -11.413 209 2HG2 VAL 35 2HG2 VAL 35 -0.868 -10.206 -12.760 210 3HG2 VAL 35 3HG2 VAL 35 0.145 -10.512 -11.328 211 H LEU 36 H LEU 36 0.723 -9.051 -13.171 212 HA LEU 36 HA LEU 36 2.921 -10.154 -11.873 213 1HB LEU 36 1HB LEU 36 1.861 -10.644 -14.169 214 2HB LEU 36 2HB LEU 36 2.880 -9.351 -14.771 215 HG LEU 36 HG LEU 36 3.972 -11.753 -13.287 216 1HD1 LEU 36 1HD1 LEU 36 3.424 -11.379 -16.230 217 2HD1 LEU 36 2HD1 LEU 36 4.671 -12.500 -15.632 218 3HD1 LEU 36 3HD1 LEU 36 2.969 -12.732 -15.167 219 1HD2 LEU 36 1HD2 LEU 36 5.675 -10.377 -15.231 220 2HD2 LEU 36 2HD2 LEU 36 5.161 -9.340 -13.879 221 3HD2 LEU 36 3HD2 LEU 36 6.006 -10.873 -13.554 222 H GLU 37 H GLU 37 2.480 -7.007 -13.586 223 HA GLU 37 HA GLU 37 5.160 -6.267 -13.313 224 1HB GLU 37 1HB GLU 37 2.633 -4.618 -13.746 225 2HB GLU 37 2HB GLU 37 4.248 -3.942 -13.817 226 1HG GLU 37 1HG GLU 37 3.761 -6.405 -15.463 227 2HG GLU 37 2HG GLU 37 2.960 -4.941 -15.998 228 H ASP 38 H ASP 38 2.206 -5.726 -11.322 229 HA ASP 38 HA ASP 38 3.306 -3.897 -9.586 230 1HB ASP 38 1HB ASP 38 1.000 -5.774 -9.623 231 2HB ASP 38 2HB ASP 38 1.552 -5.375 -8.008 232 H THR 39 H THR 39 2.905 -7.513 -9.309 233 HA THR 39 HA THR 39 4.272 -7.768 -6.875 234 HB THR 39 HB THR 39 2.670 -9.378 -8.235 235 HG1 THR 39 HG1 THR 39 3.438 -10.766 -6.662 236 1HG2 THR 39 1HG2 THR 39 3.611 -10.782 -9.809 237 2HG2 THR 39 2HG2 THR 39 4.789 -9.463 -10.017 238 3HG2 THR 39 3HG2 THR 39 5.171 -10.838 -8.953 239 H CYS 40 H CYS 40 5.403 -7.583 -10.249 240 HA CYS 40 HA CYS 40 7.990 -8.528 -9.694 241 1HB CYS 40 1HB CYS 40 6.694 -7.061 -11.968 242 2HB CYS 40 2HB CYS 40 8.444 -7.121 -11.897 243 HG CYS 40 HG CYS 40 8.394 -9.146 -13.168 244 H ARG 41 H ARG 41 6.333 -5.348 -9.583 245 HA ARG 41 HA ARG 41 8.625 -3.810 -9.363 246 1HB ARG 41 1HB ARG 41 7.099 -2.107 -9.317 247 2HB ARG 41 2HB ARG 41 5.873 -3.347 -9.491 248 1HG ARG 41 1HG ARG 41 5.618 -3.514 -7.046 249 2HG ARG 41 2HG ARG 41 6.956 -2.411 -6.793 250 1HD ARG 41 1HD ARG 41 5.453 -0.808 -8.366 251 2HD ARG 41 2HD ARG 41 4.160 -1.819 -7.754 252 HE ARG 41 HE ARG 41 5.754 0.108 -6.216 253 1HH1 ARG 41 2HH2 ARG 41 3.656 -2.712 -6.037 254 2HH1 ARG 41 1HH2 ARG 41 3.192 -2.421 -4.394 255 1HH2 ARG 41 2HH1 ARG 41 5.143 0.492 -4.048 256 2HH2 ARG 41 1HH1 ARG 41 4.044 -0.587 -3.255 257 H ARG 42 H ARG 42 6.392 -5.238 -6.883 258 HA ARG 42 HA ARG 42 7.867 -4.188 -4.738 259 1HB ARG 42 1HB ARG 42 6.476 -6.139 -3.521 260 2HB ARG 42 2HB ARG 42 5.685 -4.679 -4.079 261 1HG ARG 42 1HG ARG 42 5.842 -6.566 -6.283 262 2HG ARG 42 2HG ARG 42 5.162 -7.378 -4.887 263 1HD ARG 42 1HD ARG 42 4.166 -4.682 -5.925 264 2HD ARG 42 2HD ARG 42 3.447 -6.218 -6.366 265 HE ARG 42 HE ARG 42 3.240 -4.867 -3.760 266 1HH1 ARG 42 2HH2 ARG 42 2.846 -7.890 -5.517 267 2HH1 ARG 42 1HH2 ARG 42 1.752 -8.569 -4.359 268 1HH2 ARG 42 2HH1 ARG 42 1.796 -5.762 -2.231 269 2HH2 ARG 42 1HH1 ARG 42 1.151 -7.351 -2.477 270 H GLN 43 H GLN 43 7.848 -7.253 -6.593 271 HA GLN 43 HA GLN 43 9.850 -8.323 -4.790 272 1HB GLN 43 1HB GLN 43 9.257 -10.447 -5.540 273 2HB GLN 43 2HB GLN 43 7.730 -9.604 -5.710 274 1HG GLN 43 1HG GLN 43 8.817 -9.039 -8.150 275 2HG GLN 43 2HG GLN 43 9.620 -10.564 -7.832 276 1HE2 GLN 43 2HE2 GLN 43 8.435 -11.384 -9.624 277 2HE2 GLN 43 1HE2 GLN 43 6.797 -11.922 -9.452 278 H ASP 44 H ASP 44 10.045 -6.114 -7.040 279 HA ASP 44 HA ASP 44 11.286 -5.658 -8.813 280 1HB ASP 44 1HB ASP 44 13.693 -5.689 -8.273 281 2HB ASP 44 2HB ASP 44 12.758 -5.228 -6.865 282 H PHE 45 H PHE 45 10.196 -7.575 -10.048 283 HA PHE 45 HA PHE 45 12.283 -9.502 -10.782 284 1HB PHE 45 1HB PHE 45 9.470 -9.782 -9.823 285 2HB PHE 45 2HB PHE 45 9.751 -10.650 -11.319 286 HD1 PHE 45 HD1 PHE 45 9.562 -12.858 -10.487 287 HD2 PHE 45 HD2 PHE 45 12.280 -10.154 -8.668 288 HE1 PHE 45 HE1 PHE 45 10.584 -14.753 -9.197 289 HE2 PHE 45 HE2 PHE 45 13.302 -12.049 -7.378 290 HZ PHE 45 HZ PHE 45 12.441 -14.326 -7.658 291 H ASN 46 H ASN 46 12.026 -10.388 -13.020 292 HA ASN 46 HA ASN 46 10.674 -8.419 -14.694 293 1HB ASN 46 1HB ASN 46 13.437 -9.429 -14.710 294 2HB ASN 46 2HB ASN 46 12.665 -9.722 -16.256 295 1HD2 ASN 46 2HD2 ASN 46 13.862 -8.235 -17.358 296 2HD2 ASN 46 1HD2 ASN 46 13.693 -6.521 -17.177 297 HA PRO 47 HA PRO 47 8.665 -11.970 -16.318 298 1HB PRO 47 1HB PRO 47 7.617 -10.940 -18.622 299 2HB PRO 47 2HB PRO 47 6.875 -10.720 -17.050 300 1HG PRO 47 1HG PRO 47 8.409 -8.776 -18.665 301 2HG PRO 47 2HG PRO 47 7.319 -8.473 -17.327 302 1HD PRO 47 1HD PRO 47 10.185 -8.416 -17.252 303 2HD PRO 47 2HD PRO 47 9.097 -8.228 -15.891 304 H SER 48 H SER 48 10.851 -10.231 -18.410 305 HA SER 48 HA SER 48 11.049 -12.258 -20.298 306 1HB SER 48 1HB SER 48 11.840 -10.118 -20.944 307 2HB SER 48 2HB SER 48 12.801 -9.924 -19.492 308 HG SER 48 HG SER 48 13.681 -10.752 -21.838 309 H GLU 49 H GLU 49 11.925 -12.239 -17.025 310 HA GLU 49 HA GLU 49 13.914 -14.311 -17.540 311 1HB GLU 49 1HB GLU 49 13.882 -12.155 -15.398 312 2HB GLU 49 2HB GLU 49 14.843 -13.609 -15.220 313 1HG GLU 49 1HG GLU 49 15.634 -12.943 -17.718 314 2HG GLU 49 2HG GLU 49 15.168 -11.342 -17.177 315 H TYR 50 H TYR 50 10.800 -13.673 -16.557 316 HA TYR 50 HA TYR 50 10.732 -16.135 -14.996 317 1HB TYR 50 1HB TYR 50 9.698 -13.329 -14.270 318 2HB TYR 50 2HB TYR 50 9.078 -14.762 -13.474 319 HD1 TYR 50 HD1 TYR 50 11.404 -16.403 -12.943 320 HD2 TYR 50 HD2 TYR 50 11.024 -12.145 -12.778 321 HE1 TYR 50 HE1 TYR 50 13.312 -16.291 -11.266 322 HE2 TYR 50 HE2 TYR 50 12.933 -12.047 -11.102 323 HH TYR 50 HH TYR 50 14.876 -14.832 -10.418 324 H ASP 51 H ASP 51 8.873 -17.352 -15.333 325 HA ASP 51 HA ASP 51 6.833 -16.048 -16.949 326 1HB ASP 51 1HB ASP 51 8.393 -18.554 -17.460 327 2HB ASP 51 2HB ASP 51 6.675 -18.654 -17.791 328 H LEU 52 H LEU 52 4.646 -16.902 -16.554 329 HA LEU 52 HA LEU 52 4.498 -18.686 -14.224 330 1HB LEU 52 1HB LEU 52 2.617 -16.409 -14.846 331 2HB LEU 52 2HB LEU 52 2.596 -17.449 -13.435 332 HG LEU 52 HG LEU 52 3.522 -15.435 -12.687 333 1HD1 LEU 52 1HD1 LEU 52 5.465 -16.126 -11.717 334 2HD1 LEU 52 2HD1 LEU 52 4.885 -17.687 -12.345 335 3HD1 LEU 52 3HD1 LEU 52 6.130 -16.777 -13.234 336 1HD2 LEU 52 1HD2 LEU 52 4.320 -13.941 -14.116 337 2HD2 LEU 52 2HD2 LEU 52 5.806 -14.908 -14.271 338 3HD2 LEU 52 3HD2 LEU 52 4.448 -15.179 -15.389 339 H LYS 53 H LYS 53 3.164 -20.449 -14.407 340 HA LYS 53 HA LYS 53 1.191 -20.478 -16.521 341 1HB LYS 53 1HB LYS 53 3.138 -21.199 -17.752 342 2HB LYS 53 2HB LYS 53 3.571 -22.353 -16.507 343 1HG LYS 53 1HG LYS 53 1.097 -23.282 -16.960 344 2HG LYS 53 2HG LYS 53 1.305 -22.474 -18.502 345 1HD LYS 53 1HD LYS 53 2.947 -24.747 -17.335 346 2HD LYS 53 2HD LYS 53 2.096 -24.699 -18.866 347 1HE LYS 53 1HE LYS 53 3.937 -22.522 -18.945 348 2HE LYS 53 2HE LYS 53 4.828 -23.867 -18.261 349 1HZ LYS 53 1HZ LYS 53 3.923 -25.197 -20.149 350 2HZ LYS 53 2HZ LYS 53 3.404 -23.802 -20.821 351 3HZ LYS 53 3HZ LYS 53 4.999 -24.042 -20.567 352 H PHE 54 H PHE 54 -0.509 -21.929 -16.094 353 HA PHE 54 HA PHE 54 -0.232 -23.373 -13.553 354 1HB PHE 54 1HB PHE 54 -1.740 -21.623 -13.018 355 2HB PHE 54 2HB PHE 54 -2.253 -21.430 -14.682 356 HD1 PHE 54 HD1 PHE 54 -4.520 -21.746 -14.882 357 HD2 PHE 54 HD2 PHE 54 -2.344 -24.297 -12.281 358 HE1 PHE 54 HE1 PHE 54 -6.619 -23.030 -14.385 359 HE2 PHE 54 HE2 PHE 54 -4.443 -25.581 -11.783 360 HZ PHE 54 HZ PHE 54 -6.555 -24.931 -12.841 361 H GLN 55 H GLN 55 -0.296 -25.533 -13.941 362 HA GLN 55 HA GLN 55 -0.801 -27.457 -14.812 363 1HB GLN 55 1HB GLN 55 -3.040 -27.008 -13.937 364 2HB GLN 55 2HB GLN 55 -3.468 -26.090 -15.367 365 1HG GLN 55 1HG GLN 55 -2.729 -28.420 -16.569 366 2HG GLN 55 2HG GLN 55 -3.226 -29.063 -15.016 367 1HE2 GLN 55 2HE2 GLN 55 -5.325 -29.151 -14.461 368 2HE2 GLN 55 1HE2 GLN 55 -6.648 -28.673 -15.472 369 H ARG 56 H ARG 56 -3.099 -26.306 -17.207 370 HA ARG 56 HA ARG 56 -1.040 -26.740 -19.214 371 1HB ARG 56 1HB ARG 56 -4.055 -27.188 -19.237 372 2HB ARG 56 2HB ARG 56 -3.143 -27.116 -20.731 373 1HG ARG 56 1HG ARG 56 -1.798 -29.031 -20.124 374 2HG ARG 56 2HG ARG 56 -2.340 -28.978 -18.458 375 1HD ARG 56 1HD ARG 56 -4.283 -30.111 -18.920 376 2HD ARG 56 2HD ARG 56 -4.573 -29.214 -20.397 377 HE ARG 56 HE ARG 56 -2.338 -31.124 -20.561 378 1HH1 ARG 56 2HH2 ARG 56 -5.788 -30.619 -21.040 379 2HH1 ARG 56 1HH2 ARG 56 -5.957 -31.940 -22.147 380 1HH2 ARG 56 2HH1 ARG 56 -2.561 -32.867 -22.021 381 2HH2 ARG 56 1HH1 ARG 56 -4.110 -33.227 -22.709 382 H THR 57 H THR 57 -2.070 -24.219 -17.619 383 HA THR 57 HA THR 57 -2.610 -22.572 -20.003 384 HB THR 57 HB THR 57 -3.613 -22.382 -17.120 385 HG1 THR 57 HG1 THR 57 -4.825 -23.738 -18.573 386 1HG2 THR 57 1HG2 THR 57 -3.611 -20.368 -19.397 387 2HG2 THR 57 2HG2 THR 57 -4.994 -20.443 -18.279 388 3HG2 THR 57 3HG2 THR 57 -3.365 -20.080 -17.658 389 H VAL 58 H VAL 58 -1.323 -20.838 -20.417 390 HA VAL 58 HA VAL 58 1.019 -20.631 -18.697 391 HB VAL 58 HB VAL 58 1.965 -19.377 -20.582 392 1HG1 VAL 58 1HG1 VAL 58 1.762 -21.336 -22.298 393 2HG1 VAL 58 2HG1 VAL 58 2.506 -21.634 -20.709 394 3HG1 VAL 58 3HG1 VAL 58 0.823 -22.130 -21.011 395 1HG2 VAL 58 1HG2 VAL 58 0.836 -18.908 -22.572 396 2HG2 VAL 58 2HG2 VAL 58 -0.461 -20.079 -22.231 397 3HG2 VAL 58 3HG2 VAL 58 -0.381 -18.549 -21.323 398 H LEU 59 H LEU 59 1.618 -18.729 -17.630 399 HA LEU 59 HA LEU 59 -0.412 -16.605 -17.720 400 1HB LEU 59 1HB LEU 59 0.980 -17.910 -15.408 401 2HB LEU 59 2HB LEU 59 0.456 -16.243 -15.286 402 HG LEU 59 HG LEU 59 -1.192 -17.725 -14.311 403 1HD1 LEU 59 1HD1 LEU 59 -1.722 -15.811 -16.342 404 2HD1 LEU 59 2HD1 LEU 59 -2.909 -17.126 -16.513 405 3HD1 LEU 59 3HD1 LEU 59 -2.738 -16.277 -14.958 406 1HD2 LEU 59 1HD2 LEU 59 -0.543 -19.682 -15.828 407 2HD2 LEU 59 2HD2 LEU 59 -2.263 -19.501 -15.404 408 3HD2 LEU 59 3HD2 LEU 59 -1.682 -18.987 -17.006 409 H ASP 60 H ASP 60 0.358 -14.760 -18.581 410 HA ASP 60 HA ASP 60 3.115 -14.103 -17.980 411 1HB ASP 60 1HB ASP 60 2.582 -15.150 -20.398 412 2HB ASP 60 2HB ASP 60 2.036 -13.520 -20.741 413 H LEU 61 H LEU 61 2.894 -11.786 -19.947 414 HA LEU 61 HA LEU 61 1.279 -10.077 -18.244 415 1HB LEU 61 1HB LEU 61 3.033 -9.229 -20.537 416 2HB LEU 61 2HB LEU 61 2.470 -8.272 -19.182 417 HG LEU 61 HG LEU 61 4.170 -10.638 -18.548 418 1HD1 LEU 61 1HD1 LEU 61 5.184 -9.499 -20.587 419 2HD1 LEU 61 2HD1 LEU 61 5.459 -8.091 -19.533 420 3HD1 LEU 61 3HD1 LEU 61 6.222 -9.653 -19.149 421 1HD2 LEU 61 1HD2 LEU 61 3.136 -8.984 -16.888 422 2HD2 LEU 61 2HD2 LEU 61 4.867 -9.363 -16.711 423 3HD2 LEU 61 3HD2 LEU 61 4.364 -7.830 -17.464 424 H SER 62 H SER 62 1.541 -11.197 -21.658 425 HA SER 62 HA SER 62 -0.757 -9.643 -22.358 426 1HB SER 62 1HB SER 62 -0.436 -10.750 -24.609 427 2HB SER 62 2HB SER 62 0.959 -9.856 -24.041 428 HG SER 62 HG SER 62 0.885 -12.577 -23.280 429 H LEU 63 H LEU 63 -1.314 -11.437 -20.226 430 HA LEU 63 HA LEU 63 -3.302 -13.104 -21.531 431 1HB LEU 63 1HB LEU 63 -1.345 -14.213 -19.514 432 2HB LEU 63 2HB LEU 63 -2.720 -15.058 -20.197 433 HG LEU 63 HG LEU 63 -0.410 -14.025 -21.860 434 1HD1 LEU 63 1HD1 LEU 63 0.550 -15.602 -20.356 435 2HD1 LEU 63 2HD1 LEU 63 -0.804 -16.736 -20.574 436 3HD1 LEU 63 3HD1 LEU 63 0.324 -16.429 -21.916 437 1HD2 LEU 63 1HD2 LEU 63 -1.901 -16.309 -22.876 438 2HD2 LEU 63 2HD2 LEU 63 -2.941 -14.888 -22.615 439 3HD2 LEU 63 3HD2 LEU 63 -1.501 -14.759 -23.654 440 H GLN 64 H GLN 64 -5.018 -11.914 -20.764 441 HA GLN 64 HA GLN 64 -4.967 -11.080 -18.022 442 1HB GLN 64 1HB GLN 64 -7.189 -10.785 -20.090 443 2HB GLN 64 2HB GLN 64 -7.073 -9.930 -18.565 444 1HG GLN 64 1HG GLN 64 -6.077 -8.308 -19.851 445 2HG GLN 64 2HG GLN 64 -4.639 -9.278 -19.606 446 1HE2 GLN 64 2HE2 GLN 64 -3.788 -10.489 -21.238 447 2HE2 GLN 64 1HE2 GLN 64 -4.299 -10.396 -22.890 448 H TRP 65 H TRP 65 -6.765 -11.605 -16.498 449 HA TRP 65 HA TRP 65 -7.195 -14.370 -16.371 450 1HB TRP 65 1HB TRP 65 -7.071 -12.995 -14.395 451 2HB TRP 65 2HB TRP 65 -8.472 -12.066 -14.892 452 HD1 TRP 65 HD1 TRP 65 -10.538 -14.369 -15.582 453 HE1 TRP 65 HE1 TRP 65 -11.560 -15.984 -13.762 454 HE3 TRP 65 HE3 TRP 65 -6.834 -13.713 -12.160 455 HZ2 TRP 65 HZ2 TRP 65 -10.724 -16.787 -11.155 456 HZ3 TRP 65 HZ3 TRP 65 -7.013 -14.950 -10.003 457 HH2 TRP 65 HH2 TRP 65 -8.874 -16.444 -9.475 458 H ARG 66 H ARG 66 -9.195 -11.564 -17.449 459 HA ARG 66 HA ARG 66 -11.555 -12.891 -17.759 460 1HB ARG 66 1HB ARG 66 -12.145 -11.080 -19.359 461 2HB ARG 66 2HB ARG 66 -11.297 -10.428 -17.971 462 1HG ARG 66 1HG ARG 66 -9.343 -9.980 -19.185 463 2HG ARG 66 2HG ARG 66 -9.641 -11.255 -20.350 464 1HD ARG 66 1HD ARG 66 -11.416 -8.780 -20.188 465 2HD ARG 66 2HD ARG 66 -9.964 -8.815 -21.170 466 HE ARG 66 HE ARG 66 -11.289 -11.110 -21.959 467 1HH1 ARG 66 2HH2 ARG 66 -12.236 -7.730 -21.715 468 2HH1 ARG 66 1HH2 ARG 66 -13.387 -7.826 -23.006 469 1HH2 ARG 66 2HH1 ARG 66 -12.807 -11.238 -23.662 470 2HH2 ARG 66 1HH1 ARG 66 -13.714 -9.836 -24.120 471 H PHE 67 H PHE 67 -8.570 -13.330 -19.441 472 HA PHE 67 HA PHE 67 -9.966 -14.612 -21.681 473 1HB PHE 67 1HB PHE 67 -7.261 -13.264 -21.231 474 2HB PHE 67 2HB PHE 67 -7.419 -14.426 -22.533 475 HD1 PHE 67 HD1 PHE 67 -10.186 -13.794 -23.464 476 HD2 PHE 67 HD2 PHE 67 -6.977 -11.244 -22.367 477 HE1 PHE 67 HE1 PHE 67 -11.104 -11.997 -24.956 478 HE2 PHE 67 HE2 PHE 67 -7.894 -9.447 -23.860 479 HZ PHE 67 HZ PHE 67 -9.947 -9.845 -25.137 480 H ALA 68 H ALA 68 -6.872 -14.916 -19.782 481 HA ALA 68 HA ALA 68 -6.508 -17.611 -20.409 482 1HB ALA 68 1HB ALA 68 -4.746 -16.067 -19.599 483 2HB ALA 68 2HB ALA 68 -5.539 -16.009 -18.006 484 3HB ALA 68 3HB ALA 68 -4.844 -17.536 -18.599 485 H ASN 69 H ASN 69 -8.828 -16.044 -18.399 486 HA ASN 69 HA ASN 69 -10.151 -16.710 -16.791 487 1HB ASN 69 1HB ASN 69 -11.291 -18.943 -17.245 488 2HB ASN 69 2HB ASN 69 -11.229 -17.884 -18.640 489 1HD2 ASN 69 2HD2 ASN 69 -10.420 -20.898 -17.333 490 2HD2 ASN 69 1HD2 ASN 69 -9.471 -21.540 -18.632 491 H LEU 70 H LEU 70 -8.781 -16.789 -14.904 492 HA LEU 70 HA LEU 70 -7.379 -19.295 -14.404 493 1HB LEU 70 1HB LEU 70 -7.287 -16.629 -12.983 494 2HB LEU 70 2HB LEU 70 -6.335 -18.037 -12.556 495 HG LEU 70 HG LEU 70 -4.747 -17.144 -13.843 496 1HD1 LEU 70 1HD1 LEU 70 -6.578 -17.932 -16.126 497 2HD1 LEU 70 2HD1 LEU 70 -4.819 -17.674 -16.225 498 3HD1 LEU 70 3HD1 LEU 70 -5.469 -19.014 -15.250 499 1HD2 LEU 70 1HD2 LEU 70 -5.629 -15.474 -15.804 500 2HD2 LEU 70 2HD2 LEU 70 -6.929 -15.312 -14.599 501 3HD2 LEU 70 3HD2 LEU 70 -5.243 -14.975 -14.140 502 HA PRO 71 HA PRO 71 -10.281 -20.602 -11.492 503 1HB PRO 71 1HB PRO 71 -8.763 -22.036 -9.730 504 2HB PRO 71 2HB PRO 71 -9.277 -22.663 -11.283 505 1HG PRO 71 1HG PRO 71 -6.604 -21.700 -10.466 506 2HG PRO 71 2HG PRO 71 -7.038 -22.705 -11.835 507 1HD PRO 71 1HD PRO 71 -6.385 -19.912 -11.894 508 2HD PRO 71 2HD PRO 71 -6.931 -20.890 -13.242 509 H ASN 72 H ASN 72 -10.916 -20.749 -9.093 510 HA ASN 72 HA ASN 72 -11.214 -18.335 -8.119 511 1HB ASN 72 1HB ASN 72 -10.843 -19.614 -5.737 512 2HB ASN 72 2HB ASN 72 -12.260 -19.874 -6.735 513 1HD2 ASN 72 2HD2 ASN 72 -12.346 -21.673 -8.144 514 2HD2 ASN 72 1HD2 ASN 72 -11.424 -23.109 -7.847 515 H ASN 73 H ASN 73 -8.868 -20.372 -6.275 516 HA ASN 73 HA ASN 73 -7.402 -18.182 -5.438 517 1HB ASN 73 1HB ASN 73 -7.390 -21.060 -5.074 518 2HB ASN 73 2HB ASN 73 -5.744 -20.552 -5.394 519 1HD2 ASN 73 2HD2 ASN 73 -8.229 -20.784 -3.131 520 2HD2 ASN 73 1HD2 ASN 73 -7.540 -19.871 -1.830 521 H ALA 74 H ALA 74 -7.656 -19.465 -8.516 522 HA ALA 74 HA ALA 74 -6.197 -19.829 -10.231 523 1HB ALA 74 1HB ALA 74 -5.981 -16.932 -9.354 524 2HB ALA 74 2HB ALA 74 -5.263 -17.521 -10.873 525 3HB ALA 74 3HB ALA 74 -7.021 -17.632 -10.618 526 H LYS 75 H LYS 75 -4.724 -21.390 -9.271 527 HA LYS 75 HA LYS 75 -2.328 -20.297 -8.061 528 1HB LYS 75 1HB LYS 75 -1.791 -22.576 -7.516 529 2HB LYS 75 2HB LYS 75 -3.462 -22.271 -7.086 530 1HG LYS 75 1HG LYS 75 -4.051 -24.061 -8.346 531 2HG LYS 75 2HG LYS 75 -3.584 -23.152 -9.770 532 1HD LYS 75 1HD LYS 75 -1.564 -24.257 -9.994 533 2HD LYS 75 2HD LYS 75 -1.326 -24.406 -8.265 534 1HE LYS 75 1HE LYS 75 -3.459 -26.010 -9.737 535 2HE LYS 75 2HE LYS 75 -1.813 -26.588 -9.578 536 1HZ LYS 75 1HZ LYS 75 -3.769 -26.107 -7.469 537 2HZ LYS 75 2HZ LYS 75 -2.880 -27.447 -7.756 538 3HZ LYS 75 3HZ LYS 75 -2.174 -26.120 -7.115 539 H LEU 76 H LEU 76 -0.519 -19.814 -9.183 540 HA LEU 76 HA LEU 76 -0.281 -21.020 -11.852 541 1HB LEU 76 1HB LEU 76 0.973 -18.393 -11.216 542 2HB LEU 76 2HB LEU 76 0.433 -19.041 -12.753 543 HG LEU 76 HG LEU 76 -1.119 -17.391 -12.396 544 1HD1 LEU 76 1HD1 LEU 76 -2.893 -19.094 -10.848 545 2HD1 LEU 76 2HD1 LEU 76 -2.998 -18.569 -12.546 546 3HD1 LEU 76 3HD1 LEU 76 -2.037 -20.005 -12.116 547 1HD2 LEU 76 1HD2 LEU 76 -0.160 -17.060 -9.986 548 2HD2 LEU 76 2HD2 LEU 76 -1.789 -16.470 -10.393 549 3HD2 LEU 76 3HD2 LEU 76 -1.594 -17.995 -9.497 550 H GLU 77 H GLU 77 1.926 -21.464 -12.581 551 HA GLU 77 HA GLU 77 3.592 -22.072 -10.278 552 1HB GLU 77 1HB GLU 77 3.555 -23.218 -13.103 553 2HB GLU 77 2HB GLU 77 4.749 -23.653 -11.897 554 1HG GLU 77 1HG GLU 77 2.165 -23.882 -10.651 555 2HG GLU 77 2HG GLU 77 2.057 -24.669 -12.214 556 H MET 78 H MET 78 5.638 -21.181 -10.042 557 HA MET 78 HA MET 78 6.251 -19.060 -11.872 558 1HB MET 78 1HB MET 78 6.593 -19.538 -9.109 559 2HB MET 78 2HB MET 78 8.222 -19.682 -9.739 560 1HG MET 78 1HG MET 78 7.391 -17.417 -11.063 561 2HG MET 78 2HG MET 78 6.449 -17.277 -9.592 562 1HE MET 78 1HE MET 78 9.628 -15.654 -10.779 563 2HE MET 78 2HE MET 78 10.871 -16.814 -10.251 564 3HE MET 78 3HE MET 78 9.596 -17.329 -11.381 565 H VAL 79 H VAL 79 7.856 -19.070 -13.423 566 HA VAL 79 HA VAL 79 9.918 -21.104 -13.259 567 HB VAL 79 HB VAL 79 7.769 -21.861 -14.565 568 1HG1 VAL 79 1HG1 VAL 79 7.605 -19.872 -15.989 569 2HG1 VAL 79 2HG1 VAL 79 9.219 -20.208 -16.661 570 3HG1 VAL 79 3HG1 VAL 79 7.875 -21.336 -16.966 571 1HG2 VAL 79 1HG2 VAL 79 10.246 -22.326 -16.159 572 2HG2 VAL 79 2HG2 VAL 79 10.289 -22.769 -14.436 573 3HG2 VAL 79 3HG2 VAL 79 9.063 -23.486 -15.509 574 HA PRO 80 HA PRO 80 12.045 -17.607 -14.711 575 1HB PRO 80 1HB PRO 80 14.540 -18.705 -14.906 576 2HB PRO 80 2HB PRO 80 13.876 -18.095 -13.403 577 1HG PRO 80 1HG PRO 80 14.224 -20.899 -14.273 578 2HG PRO 80 2HG PRO 80 13.972 -20.275 -12.655 579 1HD PRO 80 1HD PRO 80 12.025 -21.565 -14.320 580 2HD PRO 80 2HD PRO 80 11.745 -20.838 -12.751 581 H VAL 81 H VAL 81 12.260 -16.579 -16.614 582 HA VAL 81 HA VAL 81 13.512 -17.465 -18.798 583 HB VAL 81 HB VAL 81 11.995 -19.476 -18.568 584 1HG1 VAL 81 1HG1 VAL 81 9.983 -17.613 -18.325 585 2HG1 VAL 81 2HG1 VAL 81 9.811 -18.139 -20.017 586 3HG1 VAL 81 3HG1 VAL 81 9.754 -19.337 -18.702 587 1HG2 VAL 81 1HG2 VAL 81 12.915 -18.069 -20.857 588 2HG2 VAL 81 2HG2 VAL 81 12.573 -19.808 -20.695 589 3HG2 VAL 81 3HG2 VAL 81 11.296 -18.698 -21.245 590 H SER 82 H SER 82 11.466 -16.826 -20.845 591 HA SER 82 HA SER 82 10.797 -14.125 -19.990 592 1HB SER 82 1HB SER 82 11.789 -13.131 -21.840 593 2HB SER 82 2HB SER 82 12.905 -14.454 -21.566 594 HG SER 82 HG SER 82 12.355 -14.407 -23.784 595 H ARG 83 H ARG 83 9.492 -13.224 -22.289 596 HA ARG 83 HA ARG 83 7.072 -14.541 -22.064 597 1HB ARG 83 1HB ARG 83 8.196 -12.449 -23.952 598 2HB ARG 83 2HB ARG 83 6.613 -13.126 -24.279 599 1HG ARG 83 1HG ARG 83 5.682 -12.274 -22.269 600 2HG ARG 83 2HG ARG 83 7.245 -12.109 -21.495 601 1HD ARG 83 1HD ARG 83 7.070 -9.898 -22.067 602 2HD ARG 83 2HD ARG 83 7.571 -10.426 -23.661 603 HE ARG 83 HE ARG 83 4.875 -9.593 -22.861 604 1HH1 ARG 83 2HH2 ARG 83 6.756 -11.402 -25.221 605 2HH1 ARG 83 1HH2 ARG 83 5.550 -11.289 -26.459 606 1HH2 ARG 83 2HH1 ARG 83 3.284 -9.443 -24.493 607 2HH2 ARG 83 1HH1 ARG 83 3.561 -10.167 -26.042 608 H SER 84 H SER 84 6.013 -16.077 -23.398 609 HA SER 84 HA SER 84 7.712 -17.724 -24.904 610 1HB SER 84 1HB SER 84 5.644 -18.434 -23.597 611 2HB SER 84 2HB SER 84 4.664 -17.721 -24.863 612 HG SER 84 HG SER 84 5.223 -20.130 -24.970 613 H ARG 85 H ARG 85 7.387 -18.308 -27.241 614 HA ARG 85 HA ARG 85 6.019 -16.290 -28.767 615 1HB ARG 85 1HB ARG 85 8.853 -16.218 -28.400 616 2HB ARG 85 2HB ARG 85 8.604 -16.827 -30.024 617 1HG ARG 85 1HG ARG 85 8.122 -14.735 -30.744 618 2HG ARG 85 2HG ARG 85 6.744 -14.672 -29.662 619 1HD ARG 85 1HD ARG 85 7.850 -13.380 -28.113 620 2HD ARG 85 2HD ARG 85 9.349 -14.271 -28.288 621 HE ARG 85 HE ARG 85 8.595 -11.849 -29.723 622 1HH1 ARG 85 2HH2 ARG 85 10.549 -14.770 -29.914 623 2HH1 ARG 85 1HH2 ARG 85 11.679 -14.094 -31.039 624 1HH2 ARG 85 2HH1 ARG 85 10.086 -10.957 -31.208 625 2HH2 ARG 85 1HH1 ARG 85 11.414 -11.911 -31.780
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