NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10207 | 1pdx | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 3H SER 1 3H SER 1 9.400 -12.249 2.420 2 1H SER 1 1H SER 1 8.578 -10.955 3.146 3 2H SER 1 2H SER 1 8.156 -12.554 3.538 4 HA SER 1 HA SER 1 7.322 -12.939 1.308 5 1HB SER 1 1HB SER 1 6.087 -10.356 2.003 6 2HB SER 1 2HB SER 1 5.361 -11.946 1.897 7 HG SER 1 HG SER 1 6.071 -12.411 3.928 8 H LYS 2 H LYS 2 6.889 -11.997 -0.819 9 HA LYS 2 HA LYS 2 8.881 -10.042 -1.699 10 1HB LYS 2 1HB LYS 2 6.850 -11.894 -2.906 11 2HB LYS 2 2HB LYS 2 7.632 -10.675 -3.897 12 1HG LYS 2 1HG LYS 2 9.722 -11.781 -2.488 13 2HG LYS 2 2HG LYS 2 8.675 -13.163 -2.807 14 1HD LYS 2 1HD LYS 2 9.729 -11.217 -4.881 15 2HD LYS 2 2HD LYS 2 10.272 -12.879 -4.655 16 1HE LYS 2 1HE LYS 2 7.444 -12.994 -4.885 17 2HE LYS 2 2HE LYS 2 8.023 -11.940 -6.190 18 1HZ LYS 2 1HZ LYS 2 9.429 -14.451 -5.529 19 2HZ LYS 2 2HZ LYS 2 8.089 -14.462 -6.574 20 3HZ LYS 2 3HZ LYS 2 9.473 -13.559 -6.970 21 H VAL 3 H VAL 3 8.319 -8.036 -2.578 22 HA VAL 3 HA VAL 3 5.505 -7.188 -2.496 23 HB VAL 3 HB VAL 3 7.911 -6.054 -1.141 24 1HG1 VAL 3 1HG1 VAL 3 6.456 -4.303 -2.344 25 2HG1 VAL 3 2HG1 VAL 3 5.154 -4.783 -1.199 26 3HG1 VAL 3 3HG1 VAL 3 6.681 -4.097 -0.596 27 1HG2 VAL 3 1HG2 VAL 3 5.346 -7.389 -0.426 28 2HG2 VAL 3 2HG2 VAL 3 6.965 -7.686 0.178 29 3HG2 VAL 3 3HG2 VAL 3 6.065 -6.272 0.727 30 H VAL 4 H VAL 4 4.963 -5.937 -4.187 31 HA VAL 4 HA VAL 4 7.172 -4.554 -5.625 32 HB VAL 4 HB VAL 4 5.171 -6.408 -6.891 33 1HG1 VAL 4 1HG1 VAL 4 6.637 -4.264 -7.991 34 2HG1 VAL 4 2HG1 VAL 4 7.453 -5.739 -8.511 35 3HG1 VAL 4 3HG1 VAL 4 5.742 -5.504 -8.871 36 1HG2 VAL 4 1HG2 VAL 4 8.142 -6.699 -6.426 37 2HG2 VAL 4 2HG2 VAL 4 6.876 -7.594 -5.586 38 3HG2 VAL 4 3HG2 VAL 4 7.135 -7.843 -7.313 39 H TYR 5 H TYR 5 6.279 -2.582 -4.911 40 HA TYR 5 HA TYR 5 3.549 -1.782 -5.171 41 1HB TYR 5 1HB TYR 5 6.134 -0.195 -5.128 42 2HB TYR 5 2HB TYR 5 4.537 0.438 -4.748 43 HD1 TYR 5 HD1 TYR 5 7.196 -1.960 -3.580 44 HD2 TYR 5 HD2 TYR 5 3.536 0.109 -2.621 45 HE1 TYR 5 HE1 TYR 5 7.485 -2.541 -1.257 46 HE2 TYR 5 HE2 TYR 5 3.855 -0.493 -0.248 47 HH TYR 5 HH TYR 5 6.555 -2.583 0.762 48 H VAL 6 H VAL 6 2.514 -0.948 -7.035 49 HA VAL 6 HA VAL 6 4.215 -0.728 -9.461 50 HB VAL 6 HB VAL 6 1.225 -0.841 -9.006 51 1HG1 VAL 6 1HG1 VAL 6 1.881 0.357 -11.071 52 2HG1 VAL 6 2HG1 VAL 6 2.824 -1.051 -11.561 53 3HG1 VAL 6 3HG1 VAL 6 1.070 -1.170 -11.414 54 1HG2 VAL 6 1HG2 VAL 6 3.282 -2.882 -9.869 55 2HG2 VAL 6 2HG2 VAL 6 2.290 -2.934 -8.404 56 3HG2 VAL 6 3HG2 VAL 6 1.541 -3.133 -9.997 57 H SER 7 H SER 7 3.628 1.153 -10.929 58 HA SER 7 HA SER 7 3.300 3.608 -9.275 59 1HB SER 7 1HB SER 7 4.384 4.677 -11.234 60 2HB SER 7 2HB SER 7 5.332 3.313 -10.655 61 HG SER 7 HG SER 7 4.089 3.691 -13.042 62 H HIS 8 H HIS 8 2.535 5.232 -11.546 63 HA HIS 8 HA HIS 8 -0.329 4.456 -11.686 64 1HB HIS 8 1HB HIS 8 0.508 6.879 -13.122 65 2HB HIS 8 2HB HIS 8 -0.688 6.702 -11.853 66 HD1 HIS 8 HD1 HIS 8 1.177 5.684 -9.587 67 HD2 HIS 8 HD2 HIS 8 2.083 8.916 -12.052 68 HE1 HIS 8 HE1 HIS 8 2.823 7.124 -8.306 69 H ASP 9 H ASP 9 2.557 4.732 -13.615 70 HA ASP 9 HA ASP 9 1.132 4.111 -16.136 71 1HB ASP 9 1HB ASP 9 3.279 4.579 -17.138 72 2HB ASP 9 2HB ASP 9 3.032 5.785 -15.875 73 H GLY 10 H GLY 10 2.410 2.421 -13.524 74 1HA GLY 10 1HA GLY 10 2.101 -0.057 -13.574 75 2HA GLY 10 2HA GLY 10 2.778 -0.028 -15.205 76 H THR 11 H THR 11 4.874 2.004 -14.267 77 HA THR 11 HA THR 11 6.984 0.241 -13.764 78 HB THR 11 HB THR 11 6.492 3.059 -13.867 79 HG1 THR 11 HG1 THR 11 7.938 2.313 -15.227 80 1HG2 THR 11 1HG2 THR 11 8.106 2.056 -11.540 81 2HG2 THR 11 2HG2 THR 11 8.511 3.597 -12.307 82 3HG2 THR 11 3HG2 THR 11 6.924 3.372 -11.567 83 H ARG 12 H ARG 12 7.542 -0.847 -11.990 84 HA ARG 12 HA ARG 12 6.166 -0.194 -9.417 85 1HB ARG 12 1HB ARG 12 7.099 -2.960 -10.118 86 2HB ARG 12 2HB ARG 12 5.746 -2.467 -9.102 87 1HG ARG 12 1HG ARG 12 4.489 -1.733 -11.062 88 2HG ARG 12 2HG ARG 12 5.857 -2.109 -12.111 89 1HD ARG 12 1HD ARG 12 4.530 -4.195 -10.353 90 2HD ARG 12 2HD ARG 12 4.060 -3.910 -12.041 91 HE ARG 12 HE ARG 12 6.646 -5.018 -11.136 92 1HH1 ARG 12 1HH1 ARG 12 5.000 -3.269 -13.589 93 2HH1 ARG 12 2HH1 ARG 12 5.851 -4.024 -14.895 94 1HH2 ARG 12 1HH2 ARG 12 7.636 -6.171 -12.838 95 2HH2 ARG 12 2HH2 ARG 12 7.343 -5.667 -14.469 96 H ARG 13 H ARG 13 7.324 -1.597 -7.606 97 HA ARG 13 HA ARG 13 10.264 -1.152 -7.618 98 1HB ARG 13 1HB ARG 13 8.654 0.455 -6.325 99 2HB ARG 13 2HB ARG 13 8.339 -0.946 -5.295 100 1HG ARG 13 1HG ARG 13 10.228 -0.620 -4.181 101 2HG ARG 13 2HG ARG 13 11.159 -0.669 -5.685 102 1HD ARG 13 1HD ARG 13 9.702 1.767 -4.608 103 2HD ARG 13 2HD ARG 13 11.462 1.526 -4.580 104 HE ARG 13 HE ARG 13 11.167 1.243 -7.157 105 1HH1 ARG 13 1HH1 ARG 13 10.128 3.728 -5.122 106 2HH1 ARG 13 2HH1 ARG 13 9.293 4.615 -6.352 107 1HH2 ARG 13 1HH2 ARG 13 9.682 2.155 -8.765 108 2HH2 ARG 13 2HH2 ARG 13 9.041 3.725 -8.414 109 H GLU 14 H GLU 14 11.017 -2.604 -5.557 110 HA GLU 14 HA GLU 14 9.166 -4.856 -5.170 111 1HB GLU 14 1HB GLU 14 11.904 -5.175 -6.482 112 2HB GLU 14 2HB GLU 14 10.844 -6.507 -6.023 113 1HG GLU 14 1HG GLU 14 9.065 -5.476 -7.499 114 2HG GLU 14 2HG GLU 14 10.297 -4.355 -8.082 115 H LEU 15 H LEU 15 9.280 -5.076 -2.968 116 HA LEU 15 HA LEU 15 11.894 -4.739 -1.561 117 1HB LEU 15 1HB LEU 15 9.058 -4.815 -0.496 118 2HB LEU 15 2HB LEU 15 10.477 -4.252 0.364 119 HG LEU 15 HG LEU 15 8.956 -2.989 -1.843 120 1HD1 LEU 15 1HD1 LEU 15 9.112 -2.599 0.887 121 2HD1 LEU 15 2HD1 LEU 15 10.209 -1.366 0.262 122 3HD1 LEU 15 3HD1 LEU 15 8.527 -1.401 -0.267 123 1HD2 LEU 15 1HD2 LEU 15 11.871 -2.911 -1.460 124 2HD2 LEU 15 2HD2 LEU 15 10.903 -2.508 -2.877 125 3HD2 LEU 15 3HD2 LEU 15 11.098 -1.332 -1.577 126 H ASP 16 H ASP 16 10.998 -5.995 0.738 127 HA ASP 16 HA ASP 16 10.220 -8.769 0.147 128 1HB ASP 16 1HB ASP 16 12.915 -8.023 0.154 129 2HB ASP 16 2HB ASP 16 12.656 -8.591 1.804 130 H VAL 17 H VAL 17 8.480 -7.509 1.384 131 HA VAL 17 HA VAL 17 9.132 -6.860 4.212 132 HB VAL 17 HB VAL 17 6.392 -6.767 2.973 133 1HG1 VAL 17 1HG1 VAL 17 7.914 -5.617 5.111 134 2HG1 VAL 17 2HG1 VAL 17 7.111 -4.385 4.140 135 3HG1 VAL 17 3HG1 VAL 17 6.163 -5.676 4.888 136 1HG2 VAL 17 1HG2 VAL 17 8.743 -4.988 2.274 137 2HG2 VAL 17 2HG2 VAL 17 7.783 -5.908 1.145 138 3HG2 VAL 17 3HG2 VAL 17 7.070 -4.533 1.975 139 H ALA 18 H ALA 18 8.871 -8.243 5.807 140 HA ALA 18 HA ALA 18 7.803 -10.941 5.299 141 1HB ALA 18 1HB ALA 18 9.190 -9.518 7.557 142 2HB ALA 18 2HB ALA 18 8.579 -11.166 7.734 143 3HB ALA 18 3HB ALA 18 9.826 -10.808 6.528 144 H ASP 19 H ASP 19 6.802 -11.845 7.425 145 HA ASP 19 HA ASP 19 4.134 -10.890 7.724 146 1HB ASP 19 1HB ASP 19 4.316 -12.517 9.693 147 2HB ASP 19 2HB ASP 19 4.689 -13.193 8.121 148 H GLY 20 H GLY 20 3.684 -9.013 8.726 149 1HA GLY 20 1HA GLY 20 3.512 -7.920 10.949 150 2HA GLY 20 2HA GLY 20 5.194 -8.366 11.216 151 H VAL 21 H VAL 21 5.780 -7.502 8.247 152 HA VAL 21 HA VAL 21 6.230 -4.697 9.049 153 HB VAL 21 HB VAL 21 6.891 -6.183 6.511 154 1HG1 VAL 21 1HG1 VAL 21 7.603 -3.458 7.566 155 2HG1 VAL 21 2HG1 VAL 21 8.466 -4.236 6.236 156 3HG1 VAL 21 3HG1 VAL 21 6.753 -3.863 6.070 157 1HG2 VAL 21 1HG2 VAL 21 8.051 -6.897 8.695 158 2HG2 VAL 21 2HG2 VAL 21 9.070 -6.475 7.303 159 3HG2 VAL 21 3HG2 VAL 21 8.825 -5.312 8.618 160 H SER 22 H SER 22 5.372 -2.968 7.940 161 HA SER 22 HA SER 22 2.936 -3.575 6.321 162 1HB SER 22 1HB SER 22 2.900 -0.901 6.659 163 2HB SER 22 2HB SER 22 2.337 -1.995 7.919 164 HG SER 22 HG SER 22 3.801 -0.873 8.998 165 H LEU 23 H LEU 23 3.014 -3.237 4.074 166 HA LEU 23 HA LEU 23 5.347 -2.927 2.622 167 1HB LEU 23 1HB LEU 23 2.530 -1.988 2.199 168 2HB LEU 23 2HB LEU 23 3.747 -1.774 0.960 169 HG LEU 23 HG LEU 23 2.676 -4.356 2.067 170 1HD1 LEU 23 1HD1 LEU 23 3.055 -3.204 -0.682 171 2HD1 LEU 23 2HD1 LEU 23 2.484 -4.841 -0.363 172 3HD1 LEU 23 3HD1 LEU 23 1.529 -3.457 0.166 173 1HD2 LEU 23 1HD2 LEU 23 5.273 -3.902 0.613 174 2HD2 LEU 23 2HD2 LEU 23 5.035 -4.709 2.164 175 3HD2 LEU 23 3HD2 LEU 23 4.462 -5.461 0.672 176 H MET 24 H MET 24 3.565 -0.471 4.350 177 HA MET 24 HA MET 24 4.846 1.743 3.048 178 1HB MET 24 1HB MET 24 3.082 2.608 4.187 179 2HB MET 24 2HB MET 24 2.967 1.143 5.162 180 1HG MET 24 1HG MET 24 3.389 3.162 6.570 181 2HG MET 24 2HG MET 24 4.730 2.022 6.673 182 1HE MET 24 1HE MET 24 3.732 5.105 6.828 183 2HE MET 24 2HE MET 24 5.393 5.498 7.296 184 3HE MET 24 3HE MET 24 4.673 6.249 5.873 185 H GLN 25 H GLN 25 5.519 -0.154 5.951 186 HA GLN 25 HA GLN 25 7.819 1.294 6.826 187 1HB GLN 25 1HB GLN 25 6.945 -0.290 8.314 188 2HB GLN 25 2HB GLN 25 6.685 -1.475 7.036 189 1HG GLN 25 1HG GLN 25 8.914 -2.176 7.049 190 2HG GLN 25 2HG GLN 25 9.491 -0.657 7.738 191 1HE2 GLN 25 2HE2 GLN 25 6.649 -2.143 9.158 192 2HE2 GLN 25 1HE2 GLN 25 7.406 -2.691 10.575 193 H ALA 26 H ALA 26 7.922 -1.930 5.196 194 HA ALA 26 HA ALA 26 10.584 -1.847 4.339 195 1HB ALA 26 1HB ALA 26 8.088 -2.902 2.983 196 2HB ALA 26 2HB ALA 26 9.725 -3.341 2.494 197 3HB ALA 26 3HB ALA 26 9.138 -3.777 4.101 198 H ALA 27 H ALA 27 7.797 -0.697 2.358 199 HA ALA 27 HA ALA 27 9.108 0.312 0.128 200 1HB ALA 27 1HB ALA 27 6.785 1.375 1.766 201 2HB ALA 27 2HB ALA 27 7.164 1.955 0.149 202 3HB ALA 27 3HB ALA 27 6.698 0.275 0.394 203 H VAL 28 H VAL 28 8.458 2.097 3.162 204 HA VAL 28 HA VAL 28 9.984 4.432 2.394 205 HB VAL 28 HB VAL 28 8.257 3.481 4.470 206 1HG1 VAL 28 1HG1 VAL 28 10.320 3.118 5.811 207 2HG1 VAL 28 2HG1 VAL 28 10.765 4.804 5.551 208 3HG1 VAL 28 3HG1 VAL 28 9.313 4.407 6.473 209 1HG2 VAL 28 1HG2 VAL 28 9.036 5.919 3.172 210 2HG2 VAL 28 2HG2 VAL 28 7.542 5.549 4.034 211 3HG2 VAL 28 3HG2 VAL 28 8.929 6.189 4.913 212 H SER 29 H SER 29 11.012 1.339 3.032 213 HA SER 29 HA SER 29 13.542 2.114 4.391 214 1HB SER 29 1HB SER 29 13.069 0.147 5.396 215 2HB SER 29 2HB SER 29 11.685 -0.027 4.326 216 HG SER 29 HG SER 29 14.113 -1.260 4.260 217 H ASN 30 H ASN 30 12.189 0.912 1.382 218 HA ASN 30 HA ASN 30 14.850 0.396 0.214 219 1HB ASN 30 1HB ASN 30 11.969 0.043 -0.673 220 2HB ASN 30 2HB ASN 30 13.355 -0.456 -1.623 221 1HD2 ASN 30 2HD2 ASN 30 12.031 -0.890 1.678 222 2HD2 ASN 30 1HD2 ASN 30 12.507 -2.511 1.827 223 H GLY 31 H GLY 31 12.791 2.933 0.780 224 1HA GLY 31 1HA GLY 31 13.142 5.171 -0.055 225 2HA GLY 31 2HA GLY 31 13.981 4.499 -1.453 226 H ILE 32 H ILE 32 10.972 3.056 -0.559 227 HA ILE 32 HA ILE 32 9.762 3.710 -3.109 228 HB ILE 32 HB ILE 32 8.687 2.511 -0.553 229 1HG1 ILE 32 1HG1 ILE 32 10.339 1.494 -2.799 230 2HG1 ILE 32 2HG1 ILE 32 10.332 1.016 -1.106 231 1HG2 ILE 32 1HG2 ILE 32 7.077 3.363 -2.467 232 2HG2 ILE 32 2HG2 ILE 32 7.589 1.867 -3.255 233 3HG2 ILE 32 3HG2 ILE 32 6.802 1.808 -1.675 234 1HD1 ILE 32 1HD1 ILE 32 7.891 0.130 -1.786 235 2HD1 ILE 32 2HD1 ILE 32 8.673 0.012 -3.364 236 3HD1 ILE 32 3HD1 ILE 32 9.337 -0.847 -1.982 237 H TYR 33 H TYR 33 8.685 4.408 0.177 238 HA TYR 33 HA TYR 33 7.008 6.640 -0.704 239 1HB TYR 33 1HB TYR 33 7.755 5.363 1.928 240 2HB TYR 33 2HB TYR 33 6.731 6.795 1.842 241 HD1 TYR 33 HD1 TYR 33 5.811 5.592 -1.105 242 HD2 TYR 33 HD2 TYR 33 5.666 4.306 2.991 243 HE1 TYR 33 HE1 TYR 33 3.877 4.193 -1.622 244 HE2 TYR 33 HE2 TYR 33 3.711 2.878 2.461 245 HH TYR 33 HH TYR 33 2.692 2.305 -0.800 246 H ASP 34 H ASP 34 9.593 7.195 -1.479 247 HA ASP 34 HA ASP 34 11.355 8.528 0.229 248 1HB ASP 34 1HB ASP 34 12.044 9.712 -1.801 249 2HB ASP 34 2HB ASP 34 11.618 8.051 -2.213 250 H ILE 35 H ILE 35 8.146 9.505 -0.714 251 HA ILE 35 HA ILE 35 8.385 12.338 -0.281 252 HB ILE 35 HB ILE 35 6.554 10.989 -1.443 253 1HG1 ILE 35 1HG1 ILE 35 5.188 12.695 0.575 254 2HG1 ILE 35 2HG1 ILE 35 6.493 13.457 -0.335 255 1HG2 ILE 35 1HG2 ILE 35 6.430 9.533 0.788 256 2HG2 ILE 35 2HG2 ILE 35 5.238 10.755 1.232 257 3HG2 ILE 35 3HG2 ILE 35 5.004 9.784 -0.220 258 1HD1 ILE 35 1HD1 ILE 35 4.367 11.858 -1.750 259 2HD1 ILE 35 2HD1 ILE 35 4.089 13.547 -1.326 260 3HD1 ILE 35 3HD1 ILE 35 5.420 13.114 -2.401 261 H VAL 36 H VAL 36 6.906 13.301 1.615 262 HA VAL 36 HA VAL 36 7.861 12.035 4.161 263 HB VAL 36 HB VAL 36 8.812 14.233 3.607 264 1HG1 VAL 36 1HG1 VAL 36 6.182 14.703 2.630 265 2HG1 VAL 36 2HG1 VAL 36 6.471 15.868 3.921 266 3HG1 VAL 36 3HG1 VAL 36 7.574 15.784 2.548 267 1HG2 VAL 36 1HG2 VAL 36 7.058 13.762 5.928 268 2HG2 VAL 36 2HG2 VAL 36 8.723 14.343 5.877 269 3HG2 VAL 36 3HG2 VAL 36 7.389 15.467 5.618 270 H GLY 37 H GLY 37 5.674 10.758 3.610 271 1HA GLY 37 1HA GLY 37 3.432 12.264 4.903 272 2HA GLY 37 2HA GLY 37 3.168 11.060 3.641 273 H ASP 38 H ASP 38 4.612 11.380 6.896 274 HA ASP 38 HA ASP 38 3.770 8.543 7.411 275 1HB ASP 38 1HB ASP 38 5.709 8.700 9.099 276 2HB ASP 38 2HB ASP 38 6.151 8.682 7.392 277 H CYS 39 H CYS 39 2.000 8.570 8.744 278 HA CYS 39 HA CYS 39 1.682 10.800 10.699 279 1HB CYS 39 1HB CYS 39 -0.646 9.879 10.823 280 2HB CYS 39 2HB CYS 39 -0.175 10.324 9.184 281 H GLY 40 H GLY 40 3.539 8.383 10.985 282 1HA GLY 40 1HA GLY 40 4.128 6.828 12.646 283 2HA GLY 40 2HA GLY 40 3.334 7.954 13.747 284 H GLY 41 H GLY 41 2.065 5.854 11.143 285 1HA GLY 41 1HA GLY 41 0.259 4.352 11.181 286 2HA GLY 41 2HA GLY 41 0.876 3.885 12.766 287 H SER 42 H SER 42 0.001 7.198 12.361 288 HA SER 42 HA SER 42 -2.242 6.827 14.265 289 1HB SER 42 1HB SER 42 -1.047 9.355 13.094 290 2HB SER 42 2HB SER 42 -1.999 9.213 14.569 291 HG SER 42 HG SER 42 0.213 9.289 15.051 292 H ALA 43 H ALA 43 -1.924 6.756 10.963 293 HA ALA 43 HA ALA 43 -3.438 7.093 9.178 294 1HB ALA 43 1HB ALA 43 -5.073 6.637 11.660 295 2HB ALA 43 2HB ALA 43 -5.892 6.996 10.139 296 3HB ALA 43 3HB ALA 43 -4.852 5.578 10.268 297 H SER 44 H SER 44 -2.311 9.456 9.623 298 HA SER 44 HA SER 44 -4.597 11.382 9.596 299 1HB SER 44 1HB SER 44 -2.439 12.687 10.831 300 2HB SER 44 2HB SER 44 -3.904 12.112 11.620 301 HG SER 44 HG SER 44 -1.433 11.251 11.947 302 H CYS 45 H CYS 45 -2.669 10.137 7.554 303 HA CYS 45 HA CYS 45 -1.693 12.736 6.426 304 1HB CYS 45 1HB CYS 45 0.383 11.751 5.935 305 2HB CYS 45 2HB CYS 45 -0.008 11.030 7.490 306 H ALA 46 H ALA 46 -0.991 12.052 3.933 307 HA ALA 46 HA ALA 46 -3.062 10.268 2.769 308 1HB ALA 46 1HB ALA 46 -3.861 12.703 3.166 309 2HB ALA 46 2HB ALA 46 -2.784 13.123 1.834 310 3HB ALA 46 3HB ALA 46 -4.124 12.007 1.567 311 H THR 47 H THR 47 0.092 11.036 2.849 312 HA THR 47 HA THR 47 0.655 11.189 -0.039 313 HB THR 47 HB THR 47 2.803 10.531 1.883 314 HG1 THR 47 HG1 THR 47 1.678 13.077 2.124 315 1HG2 THR 47 1HG2 THR 47 2.270 12.301 -0.421 316 2HG2 THR 47 2HG2 THR 47 3.348 12.974 0.801 317 3HG2 THR 47 3HG2 THR 47 3.744 11.442 0.023 318 H CYS 48 H CYS 48 0.221 8.758 2.365 319 HA CYS 48 HA CYS 48 1.716 6.664 0.911 320 1HB CYS 48 1HB CYS 48 0.889 5.297 2.830 321 2HB CYS 48 2HB CYS 48 1.701 6.771 3.359 322 H HIS 49 H HIS 49 -0.688 8.035 -0.310 323 HA HIS 49 HA HIS 49 -2.932 6.203 -0.295 324 1HB HIS 49 1HB HIS 49 -3.180 8.548 -0.882 325 2HB HIS 49 2HB HIS 49 -1.941 8.418 -2.125 326 HD1 HIS 49 HD1 HIS 49 -4.726 5.932 -1.648 327 HD2 HIS 49 HD2 HIS 49 -3.610 8.867 -4.339 328 HE1 HIS 49 HE1 HIS 49 -6.207 5.638 -3.630 329 H VAL 50 H VAL 50 -3.080 4.256 -1.330 330 HA VAL 50 HA VAL 50 -1.701 3.870 -3.902 331 HB VAL 50 HB VAL 50 -0.012 2.530 -3.163 332 1HG1 VAL 50 1HG1 VAL 50 -0.856 3.601 -0.458 333 2HG1 VAL 50 2HG1 VAL 50 0.719 2.909 -0.839 334 3HG1 VAL 50 3HG1 VAL 50 0.213 4.418 -1.598 335 1HG2 VAL 50 1HG2 VAL 50 -2.168 1.383 -1.402 336 2HG2 VAL 50 2HG2 VAL 50 -1.249 0.596 -2.700 337 3HG2 VAL 50 3HG2 VAL 50 -0.469 0.931 -1.135 338 H TYR 51 H TYR 51 -1.965 1.309 -4.350 339 HA TYR 51 HA TYR 51 -4.686 0.450 -3.518 340 1HB TYR 51 1HB TYR 51 -3.471 0.963 -6.201 341 2HB TYR 51 2HB TYR 51 -4.918 -0.003 -6.005 342 HD1 TYR 51 HD1 TYR 51 -6.967 0.966 -5.042 343 HD2 TYR 51 HD2 TYR 51 -3.498 3.380 -5.817 344 HE1 TYR 51 HE1 TYR 51 -8.308 3.002 -4.835 345 HE2 TYR 51 HE2 TYR 51 -4.880 5.414 -5.656 346 HH TYR 51 HH TYR 51 -7.808 5.572 -4.292 347 H VAL 52 H VAL 52 -4.177 -1.541 -2.591 348 HA VAL 52 HA VAL 52 -1.916 -3.121 -3.446 349 HB VAL 52 HB VAL 52 -4.228 -4.084 -1.764 350 1HG1 VAL 52 1HG1 VAL 52 -2.110 -5.421 -2.345 351 2HG1 VAL 52 2HG1 VAL 52 -1.301 -4.368 -1.183 352 3HG1 VAL 52 3HG1 VAL 52 -2.646 -5.392 -0.663 353 1HG2 VAL 52 1HG2 VAL 52 -2.871 -1.626 -1.267 354 2HG2 VAL 52 2HG2 VAL 52 -4.032 -2.470 -0.244 355 3HG2 VAL 52 3HG2 VAL 52 -2.306 -2.799 -0.069 356 H ASN 53 H ASN 53 -1.943 -4.758 -5.001 357 HA ASN 53 HA ASN 53 -4.049 -5.186 -6.794 358 1HB ASN 53 1HB ASN 53 -1.986 -6.121 -7.335 359 2HB ASN 53 2HB ASN 53 -1.778 -6.850 -5.744 360 1HD2 ASN 53 2HD2 ASN 53 -1.350 -8.929 -6.921 361 2HD2 ASN 53 1HD2 ASN 53 -2.655 -9.835 -7.518 362 H GLU 54 H GLU 54 -5.854 -6.611 -6.805 363 HA GLU 54 HA GLU 54 -7.238 -7.036 -4.375 364 1HB GLU 54 1HB GLU 54 -8.555 -8.683 -5.916 365 2HB GLU 54 2HB GLU 54 -8.512 -6.973 -6.337 366 1HG GLU 54 1HG GLU 54 -7.136 -7.306 -8.146 367 2HG GLU 54 2HG GLU 54 -6.327 -8.693 -7.412 368 H ALA 55 H ALA 55 -4.559 -8.850 -5.500 369 HA ALA 55 HA ALA 55 -5.489 -11.341 -4.161 370 1HB ALA 55 1HB ALA 55 -3.843 -10.689 -6.365 371 2HB ALA 55 2HB ALA 55 -2.750 -11.353 -5.146 372 3HB ALA 55 3HB ALA 55 -4.132 -12.299 -5.706 373 H PHE 56 H PHE 56 -4.296 -8.558 -3.048 374 HA PHE 56 HA PHE 56 -2.819 -9.920 -0.839 375 1HB PHE 56 1HB PHE 56 -1.941 -7.539 -2.495 376 2HB PHE 56 2HB PHE 56 -1.147 -8.035 -0.995 377 HD1 PHE 56 HD1 PHE 56 -2.015 -9.076 -4.433 378 HD2 PHE 56 HD2 PHE 56 0.288 -9.959 -0.916 379 HE1 PHE 56 HE1 PHE 56 -0.797 -10.836 -5.677 380 HE2 PHE 56 HE2 PHE 56 1.438 -11.766 -2.110 381 HZ PHE 56 HZ PHE 56 0.925 -12.184 -4.530 382 H THR 57 H THR 57 -5.358 -8.061 -1.696 383 HA THR 57 HA THR 57 -5.161 -6.128 0.549 384 HB THR 57 HB THR 57 -7.093 -5.148 -0.467 385 HG1 THR 57 HG1 THR 57 -8.215 -6.436 -2.128 386 1HG2 THR 57 1HG2 THR 57 -4.880 -5.885 -2.081 387 2HG2 THR 57 2HG2 THR 57 -6.323 -6.059 -3.078 388 3HG2 THR 57 3HG2 THR 57 -5.967 -4.517 -2.301 389 H ASP 58 H ASP 58 -7.058 -8.921 -0.545 390 HA ASP 58 HA ASP 58 -8.532 -9.072 1.993 391 1HB ASP 58 1HB ASP 58 -10.064 -9.826 0.491 392 2HB ASP 58 2HB ASP 58 -8.840 -9.798 -0.777 393 H LYS 59 H LYS 59 -5.587 -10.055 0.957 394 HA LYS 59 HA LYS 59 -5.545 -12.689 2.351 395 1HB LYS 59 1HB LYS 59 -3.284 -11.244 1.030 396 2HB LYS 59 2HB LYS 59 -3.579 -12.983 1.109 397 1HG LYS 59 1HG LYS 59 -5.813 -11.963 -0.245 398 2HG LYS 59 2HG LYS 59 -4.453 -11.056 -0.916 399 1HD LYS 59 1HD LYS 59 -4.846 -13.152 -2.173 400 2HD LYS 59 2HD LYS 59 -3.275 -13.185 -1.372 401 1HE LYS 59 1HE LYS 59 -3.930 -14.808 0.146 402 2HE LYS 59 2HE LYS 59 -5.627 -14.284 0.127 403 1HZ LYS 59 1HZ LYS 59 -5.703 -15.030 -2.231 404 2HZ LYS 59 2HZ LYS 59 -4.170 -15.724 -2.023 405 3HZ LYS 59 3HZ LYS 59 -5.490 -16.295 -1.118 406 H VAL 60 H VAL 60 -3.981 -9.593 2.158 407 HA VAL 60 HA VAL 60 -2.451 -9.838 4.609 408 HB VAL 60 HB VAL 60 -2.673 -8.386 2.164 409 1HG1 VAL 60 1HG1 VAL 60 -3.314 -6.668 4.306 410 2HG1 VAL 60 2HG1 VAL 60 -1.683 -6.288 3.776 411 3HG1 VAL 60 3HG1 VAL 60 -3.023 -6.256 2.618 412 1HG2 VAL 60 1HG2 VAL 60 -0.723 -9.252 4.038 413 2HG2 VAL 60 2HG2 VAL 60 -0.633 -9.091 2.286 414 3HG2 VAL 60 3HG2 VAL 60 -0.304 -7.691 3.326 415 HA PRO 61 HA PRO 61 -5.412 -8.161 7.338 416 1HB PRO 61 1HB PRO 61 -4.427 -5.876 8.491 417 2HB PRO 61 2HB PRO 61 -3.872 -7.512 8.894 418 1HG PRO 61 1HG PRO 61 -2.619 -5.461 7.164 419 2HG PRO 61 2HG PRO 61 -1.873 -6.648 8.241 420 1HD PRO 61 1HD PRO 61 -1.995 -6.898 5.528 421 2HD PRO 61 2HD PRO 61 -1.845 -8.271 6.602 422 H ALA 62 H ALA 62 -7.170 -7.623 6.379 423 HA ALA 62 HA ALA 62 -7.616 -5.345 4.682 424 1HB ALA 62 1HB ALA 62 -8.815 -7.832 5.466 425 2HB ALA 62 2HB ALA 62 -10.020 -6.547 5.599 426 3HB ALA 62 3HB ALA 62 -9.200 -6.834 4.062 427 H ALA 63 H ALA 63 -6.802 -3.949 6.432 428 HA ALA 63 HA ALA 63 -7.775 -3.267 8.858 429 1HB ALA 63 1HB ALA 63 -7.086 -1.555 6.481 430 2HB ALA 63 2HB ALA 63 -7.433 -0.848 8.057 431 3HB ALA 63 3HB ALA 63 -6.074 -1.955 7.870 432 H ASN 64 H ASN 64 -9.352 -1.402 9.460 433 HA ASN 64 HA ASN 64 -11.905 -1.810 7.945 434 1HB ASN 64 1HB ASN 64 -12.818 -1.024 10.277 435 2HB ASN 64 2HB ASN 64 -12.193 -2.660 10.098 436 1HD2 ASN 64 2HD2 ASN 64 -10.357 0.425 10.429 437 2HD2 ASN 64 1HD2 ASN 64 -9.540 -0.043 11.839 438 H GLU 65 H GLU 65 -13.407 0.198 9.049 439 HA GLU 65 HA GLU 65 -13.467 2.353 7.494 440 1HB GLU 65 1HB GLU 65 -14.218 3.652 9.514 441 2HB GLU 65 2HB GLU 65 -14.935 2.045 9.387 442 1HG GLU 65 1HG GLU 65 -12.922 1.281 10.851 443 2HG GLU 65 2HG GLU 65 -12.760 2.993 11.242 444 H ARG 66 H ARG 66 -11.028 2.142 10.130 445 HA ARG 66 HA ARG 66 -9.981 4.752 9.950 446 1HB ARG 66 1HB ARG 66 -9.250 2.164 10.969 447 2HB ARG 66 2HB ARG 66 -7.833 2.887 10.205 448 1HG ARG 66 1HG ARG 66 -8.231 4.970 11.519 449 2HG ARG 66 2HG ARG 66 -9.568 4.163 12.340 450 1HD ARG 66 1HD ARG 66 -7.110 2.560 12.373 451 2HD ARG 66 2HD ARG 66 -6.929 4.123 13.195 452 HE ARG 66 HE ARG 66 -9.449 2.999 13.926 453 1HH1 ARG 66 1HH1 ARG 66 -6.674 1.208 13.921 454 2HH1 ARG 66 2HH1 ARG 66 -6.545 1.028 15.639 455 1HH2 ARG 66 1HH2 ARG 66 -9.033 3.342 16.333 456 2HH2 ARG 66 2HH2 ARG 66 -7.881 2.237 17.004 457 H GLU 67 H GLU 67 -8.608 1.906 8.306 458 HA GLU 67 HA GLU 67 -6.969 3.282 6.494 459 1HB GLU 67 1HB GLU 67 -7.908 0.658 7.119 460 2HB GLU 67 2HB GLU 67 -7.891 0.841 5.371 461 1HG GLU 67 1HG GLU 67 -5.694 0.115 5.913 462 2HG GLU 67 2HG GLU 67 -5.534 1.863 5.724 463 H ILE 68 H ILE 68 -10.394 2.498 6.339 464 HA ILE 68 HA ILE 68 -10.668 3.169 3.512 465 HB ILE 68 HB ILE 68 -12.443 2.531 5.852 466 1HG1 ILE 68 1HG1 ILE 68 -13.169 0.761 4.183 467 2HG1 ILE 68 2HG1 ILE 68 -11.906 1.367 3.106 468 1HG2 ILE 68 1HG2 ILE 68 -13.367 3.530 3.138 469 2HG2 ILE 68 2HG2 ILE 68 -14.415 2.803 4.356 470 3HG2 ILE 68 3HG2 ILE 68 -13.619 4.342 4.683 471 1HD1 ILE 68 1HD1 ILE 68 -11.429 0.374 5.934 472 2HD1 ILE 68 2HD1 ILE 68 -11.142 -0.576 4.476 473 3HD1 ILE 68 3HD1 ILE 68 -10.194 0.879 4.780 474 H GLY 69 H GLY 69 -10.226 4.970 6.344 475 1HA GLY 69 1HA GLY 69 -11.800 7.303 5.444 476 2HA GLY 69 2HA GLY 69 -10.844 7.215 6.924 477 H MET 70 H MET 70 -8.412 7.209 6.617 478 HA MET 70 HA MET 70 -7.411 9.380 5.193 479 1HB MET 70 1HB MET 70 -5.249 7.913 5.158 480 2HB MET 70 2HB MET 70 -5.968 8.290 6.721 481 1HG MET 70 1HG MET 70 -7.272 5.945 5.844 482 2HG MET 70 2HG MET 70 -5.568 5.706 5.477 483 1HE MET 70 1HE MET 70 -5.264 4.019 6.581 484 2HE MET 70 2HE MET 70 -4.398 4.122 8.118 485 3HE MET 70 3HE MET 70 -6.084 3.568 8.092 486 H LEU 71 H LEU 71 -7.905 6.066 4.054 487 HA LEU 71 HA LEU 71 -6.866 6.387 1.375 488 1HB LEU 71 1HB LEU 71 -7.339 4.265 2.635 489 2HB LEU 71 2HB LEU 71 -9.046 4.642 2.515 490 HG LEU 71 HG LEU 71 -7.706 3.095 0.734 491 1HD1 LEU 71 1HD1 LEU 71 -10.227 4.698 0.683 492 2HD1 LEU 71 2HD1 LEU 71 -9.735 3.863 -0.792 493 3HD1 LEU 71 3HD1 LEU 71 -10.018 2.945 0.693 494 1HD2 LEU 71 1HD2 LEU 71 -7.975 5.838 -0.472 495 2HD2 LEU 71 2HD2 LEU 71 -6.458 5.005 -0.183 496 3HD2 LEU 71 3HD2 LEU 71 -7.596 4.378 -1.392 497 H GLU 72 H GLU 72 -10.179 6.516 2.740 498 HA GLU 72 HA GLU 72 -11.542 7.336 0.382 499 1HB GLU 72 1HB GLU 72 -12.881 6.694 2.200 500 2HB GLU 72 2HB GLU 72 -11.901 7.589 3.360 501 1HG GLU 72 1HG GLU 72 -14.019 8.737 3.100 502 2HG GLU 72 2HG GLU 72 -12.757 9.719 2.355 503 H CYS 73 H CYS 73 -9.311 8.977 2.458 504 HA CYS 73 HA CYS 73 -10.111 11.708 1.845 505 1HB CYS 73 1HB CYS 73 -8.297 10.278 3.531 506 2HB CYS 73 2HB CYS 73 -7.366 11.471 2.625 507 HG CYS 73 HG CYS 73 -9.937 12.367 4.155 508 H VAL 74 H VAL 74 -7.442 9.577 0.711 509 HA VAL 74 HA VAL 74 -6.041 11.185 -1.040 510 HB VAL 74 HB VAL 74 -5.639 9.176 -2.316 511 1HG1 VAL 74 1HG1 VAL 74 -5.074 9.301 0.245 512 2HG1 VAL 74 2HG1 VAL 74 -6.345 8.088 0.400 513 3HG1 VAL 74 3HG1 VAL 74 -4.925 7.756 -0.593 514 1HG2 VAL 74 1HG2 VAL 74 -8.418 8.779 -1.628 515 2HG2 VAL 74 2HG2 VAL 74 -7.475 8.034 -2.924 516 3HG2 VAL 74 3HG2 VAL 74 -7.467 7.323 -1.309 517 H THR 75 H THR 75 -6.351 11.590 -3.417 518 HA THR 75 HA THR 75 -9.246 11.820 -4.140 519 HB THR 75 HB THR 75 -6.826 13.572 -4.666 520 HG1 THR 75 HG1 THR 75 -8.228 15.078 -3.548 521 1HG2 THR 75 1HG2 THR 75 -9.533 13.484 -5.916 522 2HG2 THR 75 2HG2 THR 75 -8.784 15.055 -5.636 523 3HG2 THR 75 3HG2 THR 75 -7.970 13.856 -6.641 524 H ALA 76 H ALA 76 -7.407 9.538 -4.705 525 HA ALA 76 HA ALA 76 -7.103 9.919 -7.658 526 1HB ALA 76 1HB ALA 76 -5.347 9.127 -5.613 527 2HB ALA 76 2HB ALA 76 -5.695 7.658 -6.525 528 3HB ALA 76 3HB ALA 76 -5.044 9.077 -7.351 529 H GLU 77 H GLU 77 -6.740 7.402 -8.389 530 HA GLU 77 HA GLU 77 -9.224 6.360 -9.039 531 1HB GLU 77 1HB GLU 77 -7.693 5.485 -10.394 532 2HB GLU 77 2HB GLU 77 -6.423 5.875 -9.256 533 1HG GLU 77 1HG GLU 77 -6.653 3.735 -8.169 534 2HG GLU 77 2HG GLU 77 -8.130 3.385 -9.074 535 H LEU 78 H LEU 78 -9.996 6.530 -6.481 536 HA LEU 78 HA LEU 78 -9.098 4.450 -4.777 537 1HB LEU 78 1HB LEU 78 -10.730 6.498 -4.311 538 2HB LEU 78 2HB LEU 78 -11.930 5.191 -4.441 539 HG LEU 78 HG LEU 78 -9.822 4.029 -3.123 540 1HD1 LEU 78 1HD1 LEU 78 -9.822 6.857 -2.480 541 2HD1 LEU 78 2HD1 LEU 78 -9.785 5.753 -1.101 542 3HD1 LEU 78 3HD1 LEU 78 -8.552 5.633 -2.361 543 1HD2 LEU 78 1HD2 LEU 78 -12.520 4.445 -2.658 544 2HD2 LEU 78 2HD2 LEU 78 -11.422 3.326 -1.836 545 3HD2 LEU 78 3HD2 LEU 78 -11.685 4.958 -1.186 546 H LYS 79 H LYS 79 -9.931 2.589 -4.122 547 HA LYS 79 HA LYS 79 -11.361 1.005 -6.210 548 1HB LYS 79 1HB LYS 79 -8.814 0.887 -4.635 549 2HB LYS 79 2HB LYS 79 -9.465 -0.594 -5.357 550 1HG LYS 79 1HG LYS 79 -9.092 1.903 -7.001 551 2HG LYS 79 2HG LYS 79 -7.741 0.816 -6.712 552 1HD LYS 79 1HD LYS 79 -8.508 -0.715 -8.118 553 2HD LYS 79 2HD LYS 79 -10.143 -0.608 -7.475 554 1HE LYS 79 1HE LYS 79 -10.794 0.618 -9.268 555 2HE LYS 79 2HE LYS 79 -9.525 1.812 -8.927 556 1HZ LYS 79 1HZ LYS 79 -8.664 -0.758 -10.000 557 2HZ LYS 79 2HZ LYS 79 -9.473 0.275 -11.080 558 3HZ LYS 79 3HZ LYS 79 -8.057 0.797 -10.300 559 HA PRO 80 HA PRO 80 -13.325 -1.064 -2.774 560 1HB PRO 80 1HB PRO 80 -13.101 -3.702 -3.469 561 2HB PRO 80 2HB PRO 80 -14.227 -2.597 -4.283 562 1HG PRO 80 1HG PRO 80 -11.576 -3.601 -5.170 563 2HG PRO 80 2HG PRO 80 -13.032 -3.265 -6.119 564 1HD PRO 80 1HD PRO 80 -10.861 -1.600 -6.002 565 2HD PRO 80 2HD PRO 80 -12.511 -1.059 -6.374 566 H ASN 81 H ASN 81 -10.171 -2.070 -3.870 567 HA ASN 81 HA ASN 81 -9.438 -3.120 -1.171 568 1HB ASN 81 1HB ASN 81 -7.996 -4.527 -2.313 569 2HB ASN 81 2HB ASN 81 -9.163 -4.247 -3.602 570 1HD2 ASN 81 2HD2 ASN 81 -8.294 -3.425 -5.531 571 2HD2 ASN 81 1HD2 ASN 81 -6.771 -2.706 -5.683 572 H SER 82 H SER 82 -9.539 -0.185 -2.411 573 HA SER 82 HA SER 82 -7.055 1.010 -2.714 574 1HB SER 82 1HB SER 82 -9.641 1.710 -1.464 575 2HB SER 82 2HB SER 82 -8.267 2.742 -1.090 576 HG SER 82 HG SER 82 -8.172 3.385 -3.037 577 H ARG 83 H ARG 83 -5.381 1.694 -1.261 578 HA ARG 83 HA ARG 83 -5.708 1.043 1.612 579 1HB ARG 83 1HB ARG 83 -4.468 -0.694 -0.397 580 2HB ARG 83 2HB ARG 83 -3.435 -0.394 0.994 581 1HG ARG 83 1HG ARG 83 -6.265 -1.472 1.080 582 2HG ARG 83 2HG ARG 83 -4.793 -2.396 1.368 583 1HD ARG 83 1HD ARG 83 -4.319 -1.199 3.386 584 2HD ARG 83 2HD ARG 83 -5.598 -0.011 3.058 585 HE ARG 83 HE ARG 83 -7.245 -1.800 3.308 586 1HH1 ARG 83 1HH2 ARG 83 -5.190 -1.882 5.716 587 2HH1 ARG 83 2HH2 ARG 83 -5.104 -3.604 5.905 588 1HH2 ARG 83 1HH1 ARG 83 -6.568 -4.327 2.904 589 2HH2 ARG 83 2HH1 ARG 83 -5.866 -4.951 4.361 590 H LEU 84 H LEU 84 -4.008 1.701 2.891 591 HA LEU 84 HA LEU 84 -1.925 3.428 1.614 592 1HB LEU 84 1HB LEU 84 -3.043 3.614 4.443 593 2HB LEU 84 2HB LEU 84 -2.027 4.792 3.622 594 HG LEU 84 HG LEU 84 -4.935 4.162 3.146 595 1HD1 LEU 84 1HD1 LEU 84 -3.764 6.084 4.617 596 2HD1 LEU 84 2HD1 LEU 84 -3.738 6.889 3.048 597 3HD1 LEU 84 3HD1 LEU 84 -5.271 6.358 3.740 598 1HD2 LEU 84 1HD2 LEU 84 -2.885 4.959 1.160 599 2HD2 LEU 84 2HD2 LEU 84 -4.469 4.226 0.908 600 3HD2 LEU 84 3HD2 LEU 84 -4.334 5.963 1.180 601 H CYS 85 H CYS 85 -0.393 1.822 1.437 602 HA CYS 85 HA CYS 85 0.185 -0.462 2.627 603 1HB CYS 85 1HB CYS 85 2.012 1.842 2.012 604 2HB CYS 85 2HB CYS 85 2.637 0.259 2.464 605 HG CYS 85 HG CYS 85 0.662 -0.250 0.331 606 H CYS 86 H CYS 86 0.475 2.558 4.473 607 HA CYS 86 HA CYS 86 2.058 1.914 6.618 608 1HB CYS 86 1HB CYS 86 -0.066 2.926 7.994 609 2HB CYS 86 2HB CYS 86 1.071 3.912 7.087 610 H GLN 87 H GLN 87 -0.989 0.245 5.907 611 HA GLN 87 HA GLN 87 -0.523 -1.336 8.419 612 1HB GLN 87 1HB GLN 87 -2.939 -1.502 8.635 613 2HB GLN 87 2HB GLN 87 -2.482 0.194 8.473 614 1HG GLN 87 1HG GLN 87 -3.144 -1.395 6.016 615 2HG GLN 87 2HG GLN 87 -4.449 -0.752 7.015 616 1HE2 GLN 87 2HE2 GLN 87 -4.203 0.332 4.470 617 2HE2 GLN 87 1HE2 GLN 87 -3.567 1.898 4.574 618 H ILE 88 H ILE 88 -0.453 -1.642 5.088 619 HA ILE 88 HA ILE 88 -1.787 -4.252 4.927 620 HB ILE 88 HB ILE 88 -0.032 -2.585 3.095 621 1HG1 ILE 88 1HG1 ILE 88 -2.458 -2.007 3.496 622 2HG1 ILE 88 2HG1 ILE 88 -2.061 -2.354 1.814 623 1HG2 ILE 88 1HG2 ILE 88 0.349 -5.117 2.864 624 2HG2 ILE 88 2HG2 ILE 88 -1.321 -5.197 2.306 625 3HG2 ILE 88 3HG2 ILE 88 -0.136 -4.248 1.410 626 1HD1 ILE 88 1HD1 ILE 88 -3.103 -4.488 3.681 627 2HD1 ILE 88 2HD1 ILE 88 -4.182 -3.463 2.742 628 3HD1 ILE 88 3HD1 ILE 88 -3.036 -4.521 1.921 629 H ILE 89 H ILE 89 -0.767 -5.696 6.375 630 HA ILE 89 HA ILE 89 2.140 -5.765 6.667 631 HB ILE 89 HB ILE 89 -0.242 -7.199 7.791 632 1HG1 ILE 89 1HG1 ILE 89 0.252 -6.054 9.724 633 2HG1 ILE 89 2HG1 ILE 89 1.990 -6.179 9.472 634 1HG2 ILE 89 1HG2 ILE 89 2.465 -8.293 7.531 635 2HG2 ILE 89 2HG2 ILE 89 1.886 -8.247 9.196 636 3HG2 ILE 89 3HG2 ILE 89 0.960 -9.104 7.965 637 1HD1 ILE 89 1HD1 ILE 89 0.197 -4.345 7.858 638 2HD1 ILE 89 2HD1 ILE 89 1.079 -3.829 9.296 639 3HD1 ILE 89 3HD1 ILE 89 1.960 -4.375 7.867 640 H MET 90 H MET 90 3.513 -7.032 5.583 641 HA MET 90 HA MET 90 2.540 -8.725 3.418 642 1HB MET 90 1HB MET 90 4.687 -7.098 3.931 643 2HB MET 90 2HB MET 90 5.382 -8.701 4.158 644 1HG MET 90 1HG MET 90 5.560 -7.921 1.806 645 2HG MET 90 2HG MET 90 4.603 -9.387 1.954 646 1HE MET 90 1HE MET 90 2.766 -9.826 1.698 647 2HE MET 90 2HE MET 90 1.265 -8.898 1.440 648 3HE MET 90 3HE MET 90 2.342 -9.285 0.084 649 H THR 91 H THR 91 2.043 -10.871 3.728 650 HA THR 91 HA THR 91 3.428 -12.256 6.021 651 HB THR 91 HB THR 91 1.486 -13.344 6.400 652 HG1 THR 91 HG1 THR 91 0.703 -13.504 3.737 653 1HG2 THR 91 1HG2 THR 91 0.842 -10.873 5.602 654 2HG2 THR 91 2HG2 THR 91 -0.004 -11.795 4.360 655 3HG2 THR 91 3HG2 THR 91 -0.378 -12.060 6.059 656 HA PRO 92 HA PRO 92 5.501 -14.969 3.407 657 1HB PRO 92 1HB PRO 92 5.019 -17.415 4.517 658 2HB PRO 92 2HB PRO 92 6.075 -16.216 5.269 659 1HG PRO 92 1HG PRO 92 3.287 -16.983 5.926 660 2HG PRO 92 2HG PRO 92 4.605 -16.481 6.994 661 1HD PRO 92 1HD PRO 92 2.533 -14.859 6.206 662 2HD PRO 92 2HD PRO 92 4.117 -14.275 6.756 663 H GLU 93 H GLU 93 2.064 -15.196 3.633 664 HA GLU 93 HA GLU 93 1.940 -17.255 1.483 665 1HB GLU 93 1HB GLU 93 -0.607 -16.165 1.850 666 2HB GLU 93 2HB GLU 93 -0.040 -17.705 2.476 667 1HG GLU 93 1HG GLU 93 0.908 -16.204 4.413 668 2HG GLU 93 2HG GLU 93 -0.320 -15.068 3.833 669 H LEU 94 H LEU 94 1.605 -13.889 2.142 670 HA LEU 94 HA LEU 94 0.684 -13.249 -0.571 671 1HB LEU 94 1HB LEU 94 1.282 -11.632 1.926 672 2HB LEU 94 2HB LEU 94 0.689 -10.924 0.442 673 HG LEU 94 HG LEU 94 -0.670 -13.219 1.834 674 1HD1 LEU 94 1HD1 LEU 94 -0.580 -10.829 2.966 675 2HD1 LEU 94 2HD1 LEU 94 -1.786 -10.445 1.743 676 3HD1 LEU 94 3HD1 LEU 94 -2.088 -11.736 2.908 677 1HD2 LEU 94 1HD2 LEU 94 -0.747 -12.384 -0.746 678 2HD2 LEU 94 2HD2 LEU 94 -2.099 -13.168 0.087 679 3HD2 LEU 94 3HD2 LEU 94 -2.028 -11.412 -0.040 680 H ASP 95 H ASP 95 3.397 -14.413 0.027 681 HA ASP 95 HA ASP 95 5.343 -12.378 -0.400 682 1HB ASP 95 1HB ASP 95 6.696 -14.377 -1.211 683 2HB ASP 95 2HB ASP 95 5.946 -14.606 0.369 684 H GLY 96 H GLY 96 4.954 -10.979 -2.135 685 1HA GLY 96 1HA GLY 96 5.530 -10.958 -4.624 686 2HA GLY 96 2HA GLY 96 4.353 -12.260 -4.777 687 H ILE 97 H ILE 97 3.584 -9.817 -2.527 688 HA ILE 97 HA ILE 97 1.115 -9.088 -3.568 689 HB ILE 97 HB ILE 97 1.526 -8.541 -1.325 690 1HG1 ILE 97 1HG1 ILE 97 1.389 -6.173 -1.075 691 2HG1 ILE 97 2HG1 ILE 97 2.226 -5.895 -2.608 692 1HG2 ILE 97 1HG2 ILE 97 4.206 -8.084 -2.346 693 2HG2 ILE 97 2HG2 ILE 97 3.739 -6.870 -1.152 694 3HG2 ILE 97 3HG2 ILE 97 3.690 -8.594 -0.752 695 1HD1 ILE 97 1HD1 ILE 97 0.087 -7.574 -3.201 696 2HD1 ILE 97 2HD1 ILE 97 -0.573 -6.357 -2.119 697 3HD1 ILE 97 3HD1 ILE 97 0.227 -5.869 -3.612 698 H VAL 98 H VAL 98 0.404 -7.538 -4.928 699 HA VAL 98 HA VAL 98 2.469 -5.968 -6.410 700 HB VAL 98 HB VAL 98 -0.307 -6.624 -7.371 701 1HG1 VAL 98 1HG1 VAL 98 2.389 -6.119 -8.632 702 2HG1 VAL 98 2HG1 VAL 98 1.046 -6.794 -9.553 703 3HG1 VAL 98 3HG1 VAL 98 0.902 -5.193 -8.828 704 1HG2 VAL 98 1HG2 VAL 98 2.069 -8.517 -7.359 705 2HG2 VAL 98 2HG2 VAL 98 0.491 -8.806 -6.618 706 3HG2 VAL 98 3HG2 VAL 98 0.650 -8.744 -8.378 707 H VAL 99 H VAL 99 2.349 -3.856 -5.562 708 HA VAL 99 HA VAL 99 -0.309 -2.905 -4.569 709 HB VAL 99 HB VAL 99 2.064 -1.139 -4.369 710 1HG1 VAL 99 1HG1 VAL 99 -0.363 -1.946 -2.945 711 2HG1 VAL 99 2HG1 VAL 99 1.024 -1.739 -1.869 712 3HG1 VAL 99 3HG1 VAL 99 0.503 -0.407 -2.902 713 1HG2 VAL 99 1HG2 VAL 99 2.005 -3.831 -2.962 714 2HG2 VAL 99 2HG2 VAL 99 3.244 -3.263 -4.082 715 3HG2 VAL 99 3HG2 VAL 99 3.054 -2.483 -2.512 716 H ASP 100 H ASP 100 -1.098 -0.841 -5.299 717 HA ASP 100 HA ASP 100 -0.067 -0.098 -8.013 718 1HB ASP 100 1HB ASP 100 -2.615 -1.001 -7.003 719 2HB ASP 100 2HB ASP 100 -2.781 0.552 -7.822 720 H VAL 101 H VAL 101 0.614 1.935 -8.121 721 HA VAL 101 HA VAL 101 -0.171 3.807 -5.958 722 HB VAL 101 HB VAL 101 1.991 3.742 -8.068 723 1HG1 VAL 101 1HG1 VAL 101 1.461 5.823 -5.938 724 2HG1 VAL 101 2HG1 VAL 101 2.884 5.768 -6.979 725 3HG1 VAL 101 3HG1 VAL 101 1.292 6.059 -7.678 726 1HG2 VAL 101 1HG2 VAL 101 2.145 2.223 -6.059 727 2HG2 VAL 101 2HG2 VAL 101 3.472 3.381 -6.190 728 3HG2 VAL 101 3HG2 VAL 101 2.160 3.667 -5.044 729 HA PRO 102 HA PRO 102 -2.744 5.878 -8.916 730 1HB PRO 102 1HB PRO 102 -3.647 7.793 -7.209 731 2HB PRO 102 2HB PRO 102 -4.153 6.100 -7.102 732 1HG PRO 102 1HG PRO 102 -2.342 7.612 -5.367 733 2HG PRO 102 2HG PRO 102 -3.307 6.174 -5.018 734 1HD PRO 102 1HD PRO 102 -0.529 6.300 -5.600 735 2HD PRO 102 2HD PRO 102 -1.528 4.858 -5.355 736 H ASP 103 H ASP 103 -3.087 8.180 -9.694 737 HA ASP 103 HA ASP 103 -0.490 9.590 -9.926 738 1HB ASP 103 1HB ASP 103 -2.773 9.066 -11.547 739 2HB ASP 103 2HB ASP 103 -2.695 10.813 -11.317 740 H ARG 104 H ARG 104 -3.448 9.758 -8.172 741 HA ARG 104 HA ARG 104 -2.947 12.610 -7.416 742 1HB ARG 104 1HB ARG 104 -5.457 11.039 -6.827 743 2HB ARG 104 2HB ARG 104 -5.277 12.776 -7.037 744 1HG ARG 104 1HG ARG 104 -4.520 11.307 -9.450 745 2HG ARG 104 2HG ARG 104 -6.181 10.981 -8.962 746 1HD ARG 104 1HD ARG 104 -5.987 12.975 -10.474 747 2HD ARG 104 2HD ARG 104 -6.650 13.398 -8.881 748 HE ARG 104 HE ARG 104 -3.819 13.550 -8.721 749 1HH1 ARG 104 1HH1 ARG 104 -4.572 14.797 -11.463 750 2HH1 ARG 104 2HH1 ARG 104 -4.655 16.470 -11.025 751 1HH2 ARG 104 1HH2 ARG 104 -4.751 15.848 -7.615 752 2HH2 ARG 104 2HH2 ARG 104 -4.757 17.065 -8.847 753 H GLN 105 H GLN 105 -1.194 11.558 -6.038 754 HA GLN 105 HA GLN 105 -2.270 9.990 -3.778 755 1HB GLN 105 1HB GLN 105 0.547 10.728 -4.644 756 2HB GLN 105 2HB GLN 105 0.149 9.604 -3.345 757 1HG GLN 105 1HG GLN 105 -0.596 7.971 -4.794 758 2HG GLN 105 2HG GLN 105 -1.092 9.137 -6.022 759 1HE2 GLN 105 2HE2 GLN 105 1.761 7.499 -4.633 760 2HE2 GLN 105 1HE2 GLN 105 2.779 7.795 -5.958 761 H TRP 106 H TRP 106 -3.238 12.486 -3.477 762 HA TRP 106 HA TRP 106 -1.464 14.375 -2.165 763 1HB TRP 106 1HB TRP 106 -3.393 15.678 -2.042 764 2HB TRP 106 2HB TRP 106 -3.832 14.590 -3.362 765 HD1 TRP 106 HD1 TRP 106 -6.028 13.272 -3.011 766 HE1 TRP 106 HE1 TRP 106 -7.545 12.757 -0.975 767 HE3 TRP 106 HE3 TRP 106 -3.207 15.343 0.634 768 HZ2 TRP 106 HZ2 TRP 106 -7.536 13.235 1.874 769 HZ3 TRP 106 HZ3 TRP 106 -3.949 15.336 2.987 770 HH2 TRP 106 HH2 TRP 106 -6.111 14.281 3.626 Start of MODEL 2 1 3H SER 1 3H SER 1 8.295 -11.944 3.003 2 1H SER 1 1H SER 1 7.203 -10.681 3.314 3 2H SER 1 2H SER 1 6.828 -12.267 3.788 4 HA SER 1 HA SER 1 6.757 -12.956 1.443 5 1HB SER 1 1HB SER 1 4.560 -12.422 1.576 6 2HB SER 1 2HB SER 1 4.973 -11.517 3.031 7 HG SER 1 HG SER 1 4.384 -10.646 0.472 8 H LYS 2 H LYS 2 6.776 -12.212 -0.803 9 HA LYS 2 HA LYS 2 8.694 -10.166 -1.420 10 1HB LYS 2 1HB LYS 2 6.719 -11.905 -2.870 11 2HB LYS 2 2HB LYS 2 7.615 -10.676 -3.741 12 1HG LYS 2 1HG LYS 2 9.578 -11.862 -2.256 13 2HG LYS 2 2HG LYS 2 8.511 -13.221 -2.607 14 1HD LYS 2 1HD LYS 2 9.135 -11.389 -4.870 15 2HD LYS 2 2HD LYS 2 10.440 -12.438 -4.316 16 1HE LYS 2 1HE LYS 2 9.007 -14.418 -4.604 17 2HE LYS 2 2HE LYS 2 7.662 -13.379 -5.120 18 1HZ LYS 2 1HZ LYS 2 10.220 -12.947 -6.441 19 2HZ LYS 2 2HZ LYS 2 9.421 -14.395 -6.830 20 3HZ LYS 2 3HZ LYS 2 8.647 -12.906 -7.082 21 H VAL 3 H VAL 3 8.257 -8.094 -2.274 22 HA VAL 3 HA VAL 3 5.454 -7.188 -2.360 23 HB VAL 3 HB VAL 3 7.804 -6.122 -0.837 24 1HG1 VAL 3 1HG1 VAL 3 6.551 -4.302 -2.159 25 2HG1 VAL 3 2HG1 VAL 3 5.121 -4.718 -1.158 26 3HG1 VAL 3 3HG1 VAL 3 6.601 -4.099 -0.396 27 1HG2 VAL 3 1HG2 VAL 3 6.141 -7.945 -0.077 28 2HG2 VAL 3 2HG2 VAL 3 6.445 -6.611 1.016 29 3HG2 VAL 3 3HG2 VAL 3 4.986 -6.640 0.051 30 H VAL 4 H VAL 4 5.038 -5.944 -4.063 31 HA VAL 4 HA VAL 4 7.312 -4.567 -5.395 32 HB VAL 4 HB VAL 4 5.362 -6.426 -6.740 33 1HG1 VAL 4 1HG1 VAL 4 6.906 -4.281 -7.772 34 2HG1 VAL 4 2HG1 VAL 4 7.676 -5.778 -8.299 35 3HG1 VAL 4 3HG1 VAL 4 5.981 -5.476 -8.683 36 1HG2 VAL 4 1HG2 VAL 4 7.028 -7.596 -5.369 37 2HG2 VAL 4 2HG2 VAL 4 7.335 -7.859 -7.086 38 3HG2 VAL 4 3HG2 VAL 4 8.318 -6.707 -6.181 39 H TYR 5 H TYR 5 6.408 -2.564 -4.785 40 HA TYR 5 HA TYR 5 3.656 -1.827 -5.137 41 1HB TYR 5 1HB TYR 5 6.167 -0.144 -5.023 42 2HB TYR 5 2HB TYR 5 4.538 0.409 -4.685 43 HD1 TYR 5 HD1 TYR 5 7.218 -1.967 -3.452 44 HD2 TYR 5 HD2 TYR 5 3.586 0.194 -2.559 45 HE1 TYR 5 HE1 TYR 5 7.486 -2.496 -1.120 46 HE2 TYR 5 HE2 TYR 5 3.892 -0.363 -0.184 47 HH TYR 5 HH TYR 5 6.380 -2.617 0.876 48 H VAL 6 H VAL 6 2.947 -0.205 -6.711 49 HA VAL 6 HA VAL 6 4.525 -0.263 -9.249 50 HB VAL 6 HB VAL 6 1.547 -0.511 -8.771 51 1HG1 VAL 6 1HG1 VAL 6 2.074 0.772 -10.789 52 2HG1 VAL 6 2HG1 VAL 6 3.141 -0.522 -11.333 53 3HG1 VAL 6 3HG1 VAL 6 1.405 -0.806 -11.200 54 1HG2 VAL 6 1HG2 VAL 6 3.733 -2.421 -9.572 55 2HG2 VAL 6 2HG2 VAL 6 2.553 -2.606 -8.267 56 3HG2 VAL 6 3HG2 VAL 6 2.043 -2.744 -9.957 57 H SER 7 H SER 7 3.805 1.633 -10.694 58 HA SER 7 HA SER 7 3.424 4.034 -8.975 59 1HB SER 7 1HB SER 7 4.696 5.149 -10.590 60 2HB SER 7 2HB SER 7 5.363 3.521 -10.689 61 HG SER 7 HG SER 7 4.433 4.816 -12.658 62 H HIS 8 H HIS 8 2.635 5.675 -11.189 63 HA HIS 8 HA HIS 8 -0.223 4.874 -11.387 64 1HB HIS 8 1HB HIS 8 0.561 7.387 -12.679 65 2HB HIS 8 2HB HIS 8 -0.595 7.125 -11.391 66 HD1 HIS 8 HD1 HIS 8 1.245 6.077 -9.179 67 HD2 HIS 8 HD2 HIS 8 2.252 9.306 -11.604 68 HE1 HIS 8 HE1 HIS 8 2.936 7.450 -7.881 69 H ASP 9 H ASP 9 2.709 5.307 -13.199 70 HA ASP 9 HA ASP 9 1.389 4.761 -15.787 71 1HB ASP 9 1HB ASP 9 3.520 5.371 -16.708 72 2HB ASP 9 2HB ASP 9 3.256 6.470 -15.354 73 H GLY 10 H GLY 10 2.802 3.078 -13.196 74 1HA GLY 10 1HA GLY 10 2.534 0.598 -13.236 75 2HA GLY 10 2HA GLY 10 3.115 0.641 -14.900 76 H THR 11 H THR 11 4.937 2.821 -13.010 77 HA THR 11 HA THR 11 7.259 1.121 -13.193 78 HB THR 11 HB THR 11 6.616 3.864 -12.647 79 HG1 THR 11 HG1 THR 11 8.881 2.362 -13.328 80 1HG2 THR 11 1HG2 THR 11 8.342 2.443 -10.639 81 2HG2 THR 11 2HG2 THR 11 8.691 4.120 -11.064 82 3HG2 THR 11 3HG2 THR 11 7.135 3.700 -10.347 83 H ARG 12 H ARG 12 7.927 -0.287 -11.663 84 HA ARG 12 HA ARG 12 6.463 -0.309 -9.056 85 1HB ARG 12 1HB ARG 12 7.648 -2.758 -10.338 86 2HB ARG 12 2HB ARG 12 6.280 -2.641 -9.236 87 1HG ARG 12 1HG ARG 12 4.885 -2.607 -10.991 88 2HG ARG 12 2HG ARG 12 5.622 -1.111 -11.552 89 1HD ARG 12 1HD ARG 12 6.586 -3.923 -12.196 90 2HD ARG 12 2HD ARG 12 5.790 -2.805 -13.320 91 HE ARG 12 HE ARG 12 7.749 -1.343 -13.171 92 1HH1 ARG 12 1HH2 ARG 12 8.621 -4.351 -13.573 93 2HH1 ARG 12 2HH2 ARG 12 10.058 -4.354 -12.604 94 1HH2 ARG 12 1HH1 ARG 12 9.333 -1.345 -11.043 95 2HH2 ARG 12 2HH1 ARG 12 10.460 -2.653 -11.172 96 H ARG 13 H ARG 13 7.630 -1.683 -7.368 97 HA ARG 13 HA ARG 13 10.594 -1.391 -7.412 98 1HB ARG 13 1HB ARG 13 9.604 -1.088 -4.752 99 2HB ARG 13 2HB ARG 13 10.442 0.127 -5.709 100 1HG ARG 13 1HG ARG 13 7.525 -0.247 -6.217 101 2HG ARG 13 2HG ARG 13 7.992 0.519 -4.705 102 1HD ARG 13 1HD ARG 13 8.976 2.352 -5.783 103 2HD ARG 13 2HD ARG 13 9.232 1.451 -7.291 104 HE ARG 13 HE ARG 13 6.499 1.397 -7.026 105 1HH1 ARG 13 1HH1 ARG 13 8.154 4.035 -5.811 106 2HH1 ARG 13 2HH1 ARG 13 7.426 5.206 -6.858 107 1HH2 ARG 13 1HH2 ARG 13 5.857 2.842 -8.852 108 2HH2 ARG 13 2HH2 ARG 13 6.127 4.531 -8.579 109 H GLU 14 H GLU 14 11.261 -2.801 -5.233 110 HA GLU 14 HA GLU 14 9.301 -4.979 -4.866 111 1HB GLU 14 1HB GLU 14 12.091 -5.428 -6.016 112 2HB GLU 14 2HB GLU 14 10.912 -6.690 -5.657 113 1HG GLU 14 1HG GLU 14 9.323 -5.537 -7.246 114 2HG GLU 14 2HG GLU 14 10.655 -4.478 -7.711 115 H LEU 15 H LEU 15 9.312 -5.102 -2.656 116 HA LEU 15 HA LEU 15 11.864 -4.814 -1.127 117 1HB LEU 15 1HB LEU 15 8.978 -4.746 -0.230 118 2HB LEU 15 2HB LEU 15 10.370 -4.164 0.667 119 HG LEU 15 HG LEU 15 8.939 -2.979 -1.621 120 1HD1 LEU 15 1HD1 LEU 15 9.411 -2.458 1.117 121 2HD1 LEU 15 2HD1 LEU 15 10.249 -1.194 0.215 122 3HD1 LEU 15 3HD1 LEU 15 8.519 -1.448 -0.016 123 1HD2 LEU 15 1HD2 LEU 15 11.869 -3.012 -1.291 124 2HD2 LEU 15 2HD2 LEU 15 10.896 -2.681 -2.722 125 3HD2 LEU 15 3HD2 LEU 15 11.155 -1.418 -1.520 126 H ASP 16 H ASP 16 10.639 -5.882 1.199 127 HA ASP 16 HA ASP 16 9.921 -8.676 0.650 128 1HB ASP 16 1HB ASP 16 12.588 -7.892 1.022 129 2HB ASP 16 2HB ASP 16 12.089 -8.467 2.613 130 H VAL 17 H VAL 17 8.024 -7.346 1.638 131 HA VAL 17 HA VAL 17 8.256 -6.728 4.541 132 HB VAL 17 HB VAL 17 5.819 -6.826 2.701 133 1HG1 VAL 17 1HG1 VAL 17 6.004 -6.409 5.383 134 2HG1 VAL 17 2HG1 VAL 17 6.070 -4.754 4.760 135 3HG1 VAL 17 3HG1 VAL 17 4.704 -5.804 4.362 136 1HG2 VAL 17 1HG2 VAL 17 8.119 -5.251 2.350 137 2HG2 VAL 17 2HG2 VAL 17 6.535 -4.940 1.644 138 3HG2 VAL 17 3HG2 VAL 17 6.975 -4.193 3.174 139 H ALA 18 H ALA 18 8.239 -8.404 5.852 140 HA ALA 18 HA ALA 18 7.000 -10.993 5.151 141 1HB ALA 18 1HB ALA 18 8.791 -9.864 7.267 142 2HB ALA 18 2HB ALA 18 7.968 -11.398 7.570 143 3HB ALA 18 3HB ALA 18 9.070 -11.240 6.194 144 H ASP 19 H ASP 19 6.179 -12.015 7.412 145 HA ASP 19 HA ASP 19 3.591 -10.946 7.939 146 1HB ASP 19 1HB ASP 19 3.940 -12.512 9.993 147 2HB ASP 19 2HB ASP 19 3.947 -13.245 8.405 148 H GLY 20 H GLY 20 3.416 -8.941 8.831 149 1HA GLY 20 1HA GLY 20 3.440 -7.772 11.031 150 2HA GLY 20 2HA GLY 20 5.068 -8.398 11.264 151 H VAL 21 H VAL 21 5.538 -7.654 8.201 152 HA VAL 21 HA VAL 21 6.278 -4.872 8.918 153 HB VAL 21 HB VAL 21 7.018 -6.708 6.618 154 1HG1 VAL 21 1HG1 VAL 21 6.791 -3.965 6.436 155 2HG1 VAL 21 2HG1 VAL 21 8.493 -4.222 6.813 156 3HG1 VAL 21 3HG1 VAL 21 7.779 -4.995 5.403 157 1HG2 VAL 21 1HG2 VAL 21 8.196 -7.058 8.759 158 2HG2 VAL 21 2HG2 VAL 21 9.254 -6.469 7.469 159 3HG2 VAL 21 3HG2 VAL 21 8.675 -5.357 8.722 160 H SER 22 H SER 22 5.309 -3.180 7.889 161 HA SER 22 HA SER 22 2.935 -3.869 6.223 162 1HB SER 22 1HB SER 22 2.941 -1.141 6.615 163 2HB SER 22 2HB SER 22 2.178 -2.290 7.709 164 HG SER 22 HG SER 22 3.720 -0.797 8.683 165 H LEU 23 H LEU 23 2.855 -3.173 4.006 166 HA LEU 23 HA LEU 23 5.231 -2.898 2.545 167 1HB LEU 23 1HB LEU 23 2.441 -1.819 2.229 168 2HB LEU 23 2HB LEU 23 3.648 -1.607 0.986 169 HG LEU 23 HG LEU 23 2.473 -4.182 1.990 170 1HD1 LEU 23 1HD1 LEU 23 1.363 -2.968 0.159 171 2HD1 LEU 23 2HD1 LEU 23 2.874 -3.013 -0.750 172 3HD1 LEU 23 3HD1 LEU 23 2.023 -4.513 -0.377 173 1HD2 LEU 23 1HD2 LEU 23 5.047 -3.708 0.545 174 2HD2 LEU 23 2HD2 LEU 23 4.747 -4.737 1.944 175 3HD2 LEU 23 3HD2 LEU 23 4.145 -5.201 0.353 176 H MET 24 H MET 24 3.448 -0.621 4.466 177 HA MET 24 HA MET 24 4.707 1.776 3.499 178 1HB MET 24 1HB MET 24 2.724 2.246 4.516 179 2HB MET 24 2HB MET 24 2.822 0.811 5.527 180 1HG MET 24 1HG MET 24 3.139 2.324 7.215 181 2HG MET 24 2HG MET 24 4.792 2.410 6.629 182 1HE MET 24 1HE MET 24 5.424 4.275 7.354 183 2HE MET 24 2HE MET 24 5.804 4.970 5.770 184 3HE MET 24 3HE MET 24 4.925 5.920 6.968 185 H GLN 25 H GLN 25 5.646 -0.752 5.548 186 HA GLN 25 HA GLN 25 7.732 0.794 6.949 187 1HB GLN 25 1HB GLN 25 6.530 -0.881 8.189 188 2HB GLN 25 2HB GLN 25 6.738 -2.060 6.895 189 1HG GLN 25 1HG GLN 25 8.612 -2.774 7.933 190 2HG GLN 25 2HG GLN 25 9.340 -1.205 7.591 191 1HE2 GLN 25 2HE2 GLN 25 6.577 -1.856 9.783 192 2HE2 GLN 25 1HE2 GLN 25 7.364 -1.315 11.187 193 H ALA 26 H ALA 26 7.830 -2.375 5.127 194 HA ALA 26 HA ALA 26 10.546 -2.207 4.402 195 1HB ALA 26 1HB ALA 26 8.748 -4.018 4.023 196 2HB ALA 26 2HB ALA 26 8.377 -3.149 2.528 197 3HB ALA 26 3HB ALA 26 9.982 -3.835 2.772 198 H ALA 27 H ALA 27 7.782 -0.844 2.471 199 HA ALA 27 HA ALA 27 9.143 0.278 0.304 200 1HB ALA 27 1HB ALA 27 6.891 1.368 2.010 201 2HB ALA 27 2HB ALA 27 7.305 1.985 0.413 202 3HB ALA 27 3HB ALA 27 6.727 0.329 0.594 203 H VAL 28 H VAL 28 8.606 1.798 3.471 204 HA VAL 28 HA VAL 28 10.234 4.122 2.876 205 HB VAL 28 HB VAL 28 8.414 3.091 4.836 206 1HG1 VAL 28 1HG1 VAL 28 10.607 2.625 6.094 207 2HG1 VAL 28 2HG1 VAL 28 10.824 4.375 6.152 208 3HG1 VAL 28 3HG1 VAL 28 9.425 3.633 6.929 209 1HG2 VAL 28 1HG2 VAL 28 8.825 5.419 3.566 210 2HG2 VAL 28 2HG2 VAL 28 7.894 5.312 5.061 211 3HG2 VAL 28 3HG2 VAL 28 9.582 5.820 5.107 212 H SER 29 H SER 29 11.098 0.950 3.278 213 HA SER 29 HA SER 29 13.615 1.471 4.776 214 1HB SER 29 1HB SER 29 13.001 -0.538 5.599 215 2HB SER 29 2HB SER 29 11.652 -0.551 4.471 216 HG SER 29 HG SER 29 14.226 -1.647 4.214 217 H ASN 30 H ASN 30 12.338 0.511 1.631 218 HA ASN 30 HA ASN 30 15.032 -0.006 0.554 219 1HB ASN 30 1HB ASN 30 12.200 -0.248 -0.505 220 2HB ASN 30 2HB ASN 30 13.632 -0.760 -1.377 221 1HD2 ASN 30 2HD2 ASN 30 12.026 -1.266 1.774 222 2HD2 ASN 30 1HD2 ASN 30 12.462 -2.899 1.921 223 H GLY 31 H GLY 31 12.943 2.522 1.112 224 1HA GLY 31 1HA GLY 31 13.320 4.791 0.401 225 2HA GLY 31 2HA GLY 31 14.301 4.191 -0.936 226 H ILE 32 H ILE 32 11.138 2.858 -0.239 227 HA ILE 32 HA ILE 32 10.196 3.422 -2.922 228 HB ILE 32 HB ILE 32 8.963 2.339 -0.378 229 1HG1 ILE 32 1HG1 ILE 32 10.265 1.197 -2.827 230 2HG1 ILE 32 2HG1 ILE 32 10.507 0.769 -1.136 231 1HG2 ILE 32 1HG2 ILE 32 7.409 3.424 -2.285 232 2HG2 ILE 32 2HG2 ILE 32 7.671 1.833 -3.014 233 3HG2 ILE 32 3HG2 ILE 32 6.952 1.959 -1.406 234 1HD1 ILE 32 1HD1 ILE 32 8.098 -0.101 -1.171 235 2HD1 ILE 32 2HD1 ILE 32 8.184 0.042 -2.924 236 3HD1 ILE 32 3HD1 ILE 32 9.281 -1.035 -2.074 237 H TYR 33 H TYR 33 8.993 4.435 0.236 238 HA TYR 33 HA TYR 33 7.542 6.701 -0.924 239 1HB TYR 33 1HB TYR 33 8.054 5.682 1.878 240 2HB TYR 33 2HB TYR 33 7.022 7.066 1.511 241 HD1 TYR 33 HD1 TYR 33 6.230 5.773 -1.292 242 HD2 TYR 33 HD2 TYR 33 6.092 4.431 2.787 243 HE1 TYR 33 HE1 TYR 33 4.393 4.272 -1.865 244 HE2 TYR 33 HE2 TYR 33 4.238 2.900 2.207 245 HH TYR 33 HH TYR 33 2.865 2.860 -1.103 246 H ASP 34 H ASP 34 10.245 6.956 -1.533 247 HA ASP 34 HA ASP 34 11.894 8.396 0.251 248 1HB ASP 34 1HB ASP 34 12.898 9.255 -1.893 249 2HB ASP 34 2HB ASP 34 12.642 7.510 -1.890 250 H ILE 35 H ILE 35 9.104 9.458 -1.615 251 HA ILE 35 HA ILE 35 9.559 12.293 -1.448 252 HB ILE 35 HB ILE 35 7.134 12.359 -2.002 253 1HG1 ILE 35 1HG1 ILE 35 6.663 9.545 -2.263 254 2HG1 ILE 35 2HG1 ILE 35 7.174 9.868 -0.607 255 1HG2 ILE 35 1HG2 ILE 35 9.141 11.469 -3.566 256 2HG2 ILE 35 2HG2 ILE 35 8.120 10.031 -3.573 257 3HG2 ILE 35 3HG2 ILE 35 7.474 11.574 -4.133 258 1HD1 ILE 35 1HD1 ILE 35 5.447 11.952 -1.070 259 2HD1 ILE 35 2HD1 ILE 35 4.693 10.648 -1.987 260 3HD1 ILE 35 3HD1 ILE 35 5.005 10.447 -0.263 261 H VAL 36 H VAL 36 8.326 13.796 -0.037 262 HA VAL 36 HA VAL 36 8.359 12.928 2.759 263 HB VAL 36 HB VAL 36 7.686 15.342 3.077 264 1HG1 VAL 36 1HG1 VAL 36 10.077 14.324 1.695 265 2HG1 VAL 36 2HG1 VAL 36 9.807 16.053 1.471 266 3HG1 VAL 36 3HG1 VAL 36 9.956 15.387 3.097 267 1HG2 VAL 36 1HG2 VAL 36 6.496 15.214 0.713 268 2HG2 VAL 36 2HG2 VAL 36 7.209 16.728 1.269 269 3HG2 VAL 36 3HG2 VAL 36 8.083 15.709 0.125 270 H GLY 37 H GLY 37 6.475 11.340 1.544 271 1HA GLY 37 1HA GLY 37 3.875 12.568 2.377 272 2HA GLY 37 2HA GLY 37 4.007 11.384 1.074 273 H ASP 38 H ASP 38 5.697 11.253 4.186 274 HA ASP 38 HA ASP 38 4.153 8.753 4.803 275 1HB ASP 38 1HB ASP 38 6.776 8.956 4.169 276 2HB ASP 38 2HB ASP 38 6.877 9.217 5.911 277 H CYS 39 H CYS 39 2.921 8.995 6.633 278 HA CYS 39 HA CYS 39 3.698 11.127 8.573 279 1HB CYS 39 1HB CYS 39 1.226 10.146 9.378 280 2HB CYS 39 2HB CYS 39 1.493 11.590 8.419 281 H GLY 40 H GLY 40 4.740 8.219 8.279 282 1HA GLY 40 1HA GLY 40 5.709 6.795 9.901 283 2HA GLY 40 2HA GLY 40 4.911 7.740 11.158 284 H GLY 41 H GLY 41 2.958 6.569 8.540 285 1HA GLY 41 1HA GLY 41 1.125 5.092 8.595 286 2HA GLY 41 2HA GLY 41 2.263 3.989 9.370 287 H SER 42 H SER 42 1.073 7.092 10.631 288 HA SER 42 HA SER 42 0.329 5.757 13.156 289 1HB SER 42 1HB SER 42 1.379 8.202 12.407 290 2HB SER 42 2HB SER 42 -0.297 8.606 12.772 291 HG SER 42 HG SER 42 1.508 8.423 14.515 292 H ALA 43 H ALA 43 -1.259 5.386 10.560 293 HA ALA 43 HA ALA 43 -3.527 5.440 9.857 294 1HB ALA 43 1HB ALA 43 -3.119 4.166 12.249 295 2HB ALA 43 2HB ALA 43 -4.387 5.312 12.683 296 3HB ALA 43 3HB ALA 43 -4.652 4.157 11.377 297 H SER 44 H SER 44 -2.379 8.089 10.361 298 HA SER 44 HA SER 44 -4.907 9.538 11.028 299 1HB SER 44 1HB SER 44 -3.892 10.725 12.723 300 2HB SER 44 2HB SER 44 -2.902 9.271 12.818 301 HG SER 44 HG SER 44 -1.343 10.653 12.472 302 H CYS 45 H CYS 45 -3.443 8.914 8.475 303 HA CYS 45 HA CYS 45 -3.490 11.624 7.382 304 1HB CYS 45 1HB CYS 45 -1.242 11.979 7.192 305 2HB CYS 45 2HB CYS 45 -1.214 10.936 8.601 306 H ALA 46 H ALA 46 -2.328 11.254 4.914 307 HA ALA 46 HA ALA 46 -3.329 8.649 3.884 308 1HB ALA 46 1HB ALA 46 -4.937 10.883 4.041 309 2HB ALA 46 2HB ALA 46 -4.334 10.958 2.385 310 3HB ALA 46 3HB ALA 46 -5.193 9.524 2.946 311 H THR 47 H THR 47 -0.846 10.766 3.860 312 HA THR 47 HA THR 47 -0.266 11.271 1.114 313 HB THR 47 HB THR 47 2.140 11.141 2.028 314 HG1 THR 47 HG1 THR 47 1.980 11.099 4.444 315 1HG2 THR 47 1HG2 THR 47 0.736 13.209 2.006 316 2HG2 THR 47 2HG2 THR 47 0.161 12.792 3.621 317 3HG2 THR 47 3HG2 THR 47 1.866 13.156 3.359 318 H CYS 48 H CYS 48 -0.374 8.400 2.983 319 HA CYS 48 HA CYS 48 1.266 6.728 1.201 320 1HB CYS 48 1HB CYS 48 0.531 5.000 2.845 321 2HB CYS 48 2HB CYS 48 1.190 6.429 3.644 322 H HIS 49 H HIS 49 -1.335 8.098 0.273 323 HA HIS 49 HA HIS 49 -3.406 6.149 -0.028 324 1HB HIS 49 1HB HIS 49 -3.845 8.476 -0.444 325 2HB HIS 49 2HB HIS 49 -2.479 8.607 -1.540 326 HD1 HIS 49 HD1 HIS 49 -5.480 6.245 -1.491 327 HD2 HIS 49 HD2 HIS 49 -3.479 8.786 -4.064 328 HE1 HIS 49 HE1 HIS 49 -6.540 5.927 -3.734 329 H VAL 50 H VAL 50 -3.022 4.150 -0.923 330 HA VAL 50 HA VAL 50 -1.731 4.127 -3.600 331 HB VAL 50 HB VAL 50 -0.039 2.719 -2.976 332 1HG1 VAL 50 1HG1 VAL 50 -0.229 4.647 -1.176 333 2HG1 VAL 50 2HG1 VAL 50 -0.598 3.302 -0.097 334 3HG1 VAL 50 3HG1 VAL 50 0.933 3.339 -0.970 335 1HG2 VAL 50 1HG2 VAL 50 -2.176 1.485 -1.269 336 2HG2 VAL 50 2HG2 VAL 50 -1.181 0.744 -2.542 337 3HG2 VAL 50 3HG2 VAL 50 -0.475 1.087 -0.945 338 H TYR 51 H TYR 51 -1.850 1.505 -4.161 339 HA TYR 51 HA TYR 51 -4.614 0.609 -3.546 340 1HB TYR 51 1HB TYR 51 -3.230 1.255 -6.100 341 2HB TYR 51 2HB TYR 51 -4.620 0.192 -6.068 342 HD1 TYR 51 HD1 TYR 51 -3.440 3.638 -5.424 343 HD2 TYR 51 HD2 TYR 51 -6.820 0.994 -5.429 344 HE1 TYR 51 HE1 TYR 51 -4.944 5.565 -5.352 345 HE2 TYR 51 HE2 TYR 51 -8.291 2.930 -5.268 346 HH TYR 51 HH TYR 51 -7.187 6.155 -5.857 347 H VAL 52 H VAL 52 -3.977 -1.278 -2.501 348 HA VAL 52 HA VAL 52 -1.781 -2.917 -3.367 349 HB VAL 52 HB VAL 52 -4.137 -3.684 -1.627 350 1HG1 VAL 52 1HG1 VAL 52 -2.242 -5.294 -2.312 351 2HG1 VAL 52 2HG1 VAL 52 -1.257 -4.373 -1.175 352 3HG1 VAL 52 3HG1 VAL 52 -2.702 -5.215 -0.610 353 1HG2 VAL 52 1HG2 VAL 52 -3.005 -1.371 -1.088 354 2HG2 VAL 52 2HG2 VAL 52 -3.339 -2.526 0.203 355 3HG2 VAL 52 3HG2 VAL 52 -1.707 -2.386 -0.452 356 H ASN 53 H ASN 53 -1.854 -4.563 -4.894 357 HA ASN 53 HA ASN 53 -3.957 -4.955 -6.693 358 1HB ASN 53 1HB ASN 53 -1.911 -5.929 -7.216 359 2HB ASN 53 2HB ASN 53 -1.726 -6.657 -5.621 360 1HD2 ASN 53 2HD2 ASN 53 -1.338 -8.760 -6.733 361 2HD2 ASN 53 1HD2 ASN 53 -2.646 -9.640 -7.358 362 H GLU 54 H GLU 54 -5.769 -6.374 -6.739 363 HA GLU 54 HA GLU 54 -7.225 -6.749 -4.344 364 1HB GLU 54 1HB GLU 54 -8.578 -8.290 -5.883 365 2HB GLU 54 2HB GLU 54 -8.324 -6.641 -6.455 366 1HG GLU 54 1HG GLU 54 -6.811 -7.289 -8.085 367 2HG GLU 54 2HG GLU 54 -6.307 -8.724 -7.194 368 H ALA 55 H ALA 55 -4.556 -8.610 -5.421 369 HA ALA 55 HA ALA 55 -5.550 -11.076 -4.086 370 1HB ALA 55 1HB ALA 55 -3.929 -10.491 -6.307 371 2HB ALA 55 2HB ALA 55 -2.810 -11.121 -5.094 372 3HB ALA 55 3HB ALA 55 -4.198 -12.086 -5.603 373 H PHE 56 H PHE 56 -4.329 -8.338 -2.928 374 HA PHE 56 HA PHE 56 -2.863 -9.765 -0.756 375 1HB PHE 56 1HB PHE 56 -1.946 -7.381 -2.375 376 2HB PHE 56 2HB PHE 56 -1.156 -7.905 -0.879 377 HD1 PHE 56 HD1 PHE 56 -2.007 -8.844 -4.340 378 HD2 PHE 56 HD2 PHE 56 0.186 -9.920 -0.801 379 HE1 PHE 56 HE1 PHE 56 -0.835 -10.615 -5.611 380 HE2 PHE 56 HE2 PHE 56 1.289 -11.737 -2.039 381 HZ PHE 56 HZ PHE 56 0.812 -12.060 -4.474 382 H THR 57 H THR 57 -5.336 -7.768 -1.587 383 HA THR 57 HA THR 57 -5.104 -5.942 0.748 384 HB THR 57 HB THR 57 -6.984 -4.854 -0.261 385 HG1 THR 57 HG1 THR 57 -8.515 -6.016 -1.062 386 1HG2 THR 57 1HG2 THR 57 -4.720 -5.479 -1.776 387 2HG2 THR 57 2HG2 THR 57 -6.078 -5.749 -2.869 388 3HG2 THR 57 3HG2 THR 57 -5.870 -4.179 -2.092 389 H ASP 58 H ASP 58 -7.052 -8.637 -0.494 390 HA ASP 58 HA ASP 58 -8.590 -8.827 2.012 391 1HB ASP 58 1HB ASP 58 -10.150 -9.397 0.460 392 2HB ASP 58 2HB ASP 58 -8.915 -9.366 -0.797 393 H LYS 59 H LYS 59 -5.697 -9.922 0.948 394 HA LYS 59 HA LYS 59 -5.833 -12.634 2.177 395 1HB LYS 59 1HB LYS 59 -3.471 -11.251 0.964 396 2HB LYS 59 2HB LYS 59 -3.869 -12.973 0.943 397 1HG LYS 59 1HG LYS 59 -6.033 -11.783 -0.355 398 2HG LYS 59 2HG LYS 59 -4.645 -10.869 -0.952 399 1HD LYS 59 1HD LYS 59 -5.054 -12.833 -2.378 400 2HD LYS 59 2HD LYS 59 -3.523 -13.022 -1.523 401 1HE LYS 59 1HE LYS 59 -5.440 -14.109 0.220 402 2HE LYS 59 2HE LYS 59 -5.891 -14.702 -1.391 403 1HZ LYS 59 1HZ LYS 59 -3.485 -15.187 -1.743 404 2HZ LYS 59 2HZ LYS 59 -3.223 -14.858 -0.098 405 3HZ LYS 59 3HZ LYS 59 -4.220 -16.153 -0.555 406 H VAL 60 H VAL 60 -4.087 -9.636 2.184 407 HA VAL 60 HA VAL 60 -2.620 -10.104 4.641 408 HB VAL 60 HB VAL 60 -2.719 -8.504 2.280 409 1HG1 VAL 60 1HG1 VAL 60 -3.147 -6.905 4.648 410 2HG1 VAL 60 2HG1 VAL 60 -1.662 -6.479 3.809 411 3HG1 VAL 60 3HG1 VAL 60 -3.209 -6.452 2.951 412 1HG2 VAL 60 1HG2 VAL 60 -0.820 -9.477 4.205 413 2HG2 VAL 60 2HG2 VAL 60 -0.735 -9.368 2.445 414 3HG2 VAL 60 3HG2 VAL 60 -0.348 -7.956 3.441 415 HA PRO 61 HA PRO 61 -5.586 -8.373 7.345 416 1HB PRO 61 1HB PRO 61 -4.287 -6.495 8.862 417 2HB PRO 61 2HB PRO 61 -4.050 -8.244 9.043 418 1HG PRO 61 1HG PRO 61 -2.329 -6.230 7.742 419 2HG PRO 61 2HG PRO 61 -1.891 -7.721 8.583 420 1HD PRO 61 1HD PRO 61 -1.947 -7.378 5.839 421 2HD PRO 61 2HD PRO 61 -1.967 -8.937 6.649 422 H ALA 62 H ALA 62 -7.080 -7.407 6.228 423 HA ALA 62 HA ALA 62 -6.946 -4.884 4.870 424 1HB ALA 62 1HB ALA 62 -8.622 -7.194 5.198 425 2HB ALA 62 2HB ALA 62 -9.599 -5.734 5.377 426 3HB ALA 62 3HB ALA 62 -8.657 -5.990 3.909 427 H ALA 63 H ALA 63 -6.141 -3.839 6.896 428 HA ALA 63 HA ALA 63 -7.323 -3.324 9.300 429 1HB ALA 63 1HB ALA 63 -5.392 -2.160 7.852 430 2HB ALA 63 2HB ALA 63 -6.636 -0.927 7.664 431 3HB ALA 63 3HB ALA 63 -6.078 -1.375 9.274 432 H ASN 64 H ASN 64 -8.897 -1.651 10.048 433 HA ASN 64 HA ASN 64 -11.310 -1.670 8.372 434 1HB ASN 64 1HB ASN 64 -12.361 -0.892 10.406 435 2HB ASN 64 2HB ASN 64 -11.203 -2.147 10.829 436 1HD2 ASN 64 2HD2 ASN 64 -11.964 -0.205 12.784 437 2HD2 ASN 64 1HD2 ASN 64 -10.634 0.804 13.095 438 H GLU 65 H GLU 65 -12.537 0.581 9.286 439 HA GLU 65 HA GLU 65 -12.419 2.536 7.451 440 1HB GLU 65 1HB GLU 65 -13.080 4.099 9.342 441 2HB GLU 65 2HB GLU 65 -13.975 2.580 9.273 442 1HG GLU 65 1HG GLU 65 -11.552 2.269 10.836 443 2HG GLU 65 2HG GLU 65 -12.542 3.583 11.472 444 H ARG 66 H ARG 66 -9.886 2.128 9.914 445 HA ARG 66 HA ARG 66 -8.677 4.679 9.792 446 1HB ARG 66 1HB ARG 66 -8.005 1.944 10.505 447 2HB ARG 66 2HB ARG 66 -6.632 2.707 9.710 448 1HG ARG 66 1HG ARG 66 -8.048 3.559 12.232 449 2HG ARG 66 2HG ARG 66 -6.334 3.225 11.993 450 1HD ARG 66 1HD ARG 66 -6.148 5.498 11.835 451 2HD ARG 66 2HD ARG 66 -6.775 5.270 10.191 452 HE ARG 66 HE ARG 66 -9.000 5.285 11.949 453 1HH1 ARG 66 1HH1 ARG 66 -8.659 7.089 9.550 454 2HH1 ARG 66 2HH1 ARG 66 -8.635 8.655 10.289 455 1HH2 ARG 66 1HH2 ARG 66 -8.035 7.433 13.478 456 2HH2 ARG 66 2HH2 ARG 66 -8.282 8.850 12.513 457 H GLU 67 H GLU 67 -7.495 1.883 7.992 458 HA GLU 67 HA GLU 67 -6.199 3.365 5.906 459 1HB GLU 67 1HB GLU 67 -5.351 1.270 5.716 460 2HB GLU 67 2HB GLU 67 -6.542 0.715 6.887 461 1HG GLU 67 1HG GLU 67 -8.167 0.647 4.843 462 2HG GLU 67 2HG GLU 67 -6.680 0.616 3.894 463 H ILE 68 H ILE 68 -9.474 2.102 6.279 464 HA ILE 68 HA ILE 68 -10.184 2.491 3.478 465 HB ILE 68 HB ILE 68 -11.418 1.614 6.029 466 1HG1 ILE 68 1HG1 ILE 68 -12.396 -0.038 4.324 467 2HG1 ILE 68 2HG1 ILE 68 -11.343 0.751 3.135 468 1HG2 ILE 68 1HG2 ILE 68 -12.994 2.926 3.808 469 2HG2 ILE 68 2HG2 ILE 68 -13.707 1.669 4.819 470 3HG2 ILE 68 3HG2 ILE 68 -13.142 3.172 5.548 471 1HD1 ILE 68 1HD1 ILE 68 -9.889 0.149 5.577 472 2HD1 ILE 68 2HD1 ILE 68 -10.629 -1.309 4.916 473 3HD1 ILE 68 3HD1 ILE 68 -9.536 -0.344 3.921 474 H GLY 69 H GLY 69 -9.960 4.578 6.222 475 1HA GLY 69 1HA GLY 69 -11.884 6.526 5.098 476 2HA GLY 69 2HA GLY 69 -11.012 6.702 6.622 477 H MET 70 H MET 70 -8.602 7.013 6.392 478 HA MET 70 HA MET 70 -7.878 9.274 4.957 479 1HB MET 70 1HB MET 70 -5.549 7.706 4.853 480 2HB MET 70 2HB MET 70 -6.015 8.784 6.156 481 1HG MET 70 1HG MET 70 -7.138 6.921 7.318 482 2HG MET 70 2HG MET 70 -6.710 5.827 6.005 483 1HE MET 70 1HE MET 70 -5.590 4.153 7.602 484 2HE MET 70 2HE MET 70 -4.701 4.378 6.081 485 3HE MET 70 3HE MET 70 -3.819 4.238 7.602 486 H LEU 71 H LEU 71 -8.229 6.010 3.779 487 HA LEU 71 HA LEU 71 -7.087 6.478 1.107 488 1HB LEU 71 1HB LEU 71 -7.068 4.306 2.273 489 2HB LEU 71 2HB LEU 71 -8.813 4.357 2.357 490 HG LEU 71 HG LEU 71 -7.513 3.027 0.454 491 1HD1 LEU 71 1HD1 LEU 71 -10.169 4.400 0.548 492 2HD1 LEU 71 2HD1 LEU 71 -9.711 3.543 -0.921 493 3HD1 LEU 71 3HD1 LEU 71 -9.810 2.672 0.620 494 1HD2 LEU 71 1HD2 LEU 71 -6.518 5.077 -0.497 495 2HD2 LEU 71 2HD2 LEU 71 -7.590 4.283 -1.662 496 3HD2 LEU 71 3HD2 LEU 71 -8.130 5.703 -0.769 497 H GLU 72 H GLU 72 -10.329 6.050 2.545 498 HA GLU 72 HA GLU 72 -11.845 6.555 0.160 499 1HB GLU 72 1HB GLU 72 -12.966 5.507 1.942 500 2HB GLU 72 2HB GLU 72 -12.278 6.603 3.139 501 1HG GLU 72 1HG GLU 72 -14.621 7.154 2.850 502 2HG GLU 72 2HG GLU 72 -13.652 8.453 2.156 503 H CYS 73 H CYS 73 -9.958 8.598 2.147 504 HA CYS 73 HA CYS 73 -11.488 11.063 1.582 505 1HB CYS 73 1HB CYS 73 -9.578 10.083 3.474 506 2HB CYS 73 2HB CYS 73 -8.887 11.507 2.698 507 HG CYS 73 HG CYS 73 -11.790 11.755 3.772 508 H VAL 74 H VAL 74 -8.886 9.241 0.186 509 HA VAL 74 HA VAL 74 -7.511 11.401 -1.132 510 HB VAL 74 HB VAL 74 -6.411 9.621 -2.323 511 1HG1 VAL 74 1HG1 VAL 74 -7.006 9.359 0.567 512 2HG1 VAL 74 2HG1 VAL 74 -6.352 7.912 -0.199 513 3HG1 VAL 74 3HG1 VAL 74 -5.450 9.426 -0.259 514 1HG2 VAL 74 1HG2 VAL 74 -8.998 8.349 -1.825 515 2HG2 VAL 74 2HG2 VAL 74 -7.846 8.078 -3.131 516 3HG2 VAL 74 3HG2 VAL 74 -7.618 7.281 -1.574 517 H THR 75 H THR 75 -7.768 12.206 -3.193 518 HA THR 75 HA THR 75 -10.409 11.744 -4.472 519 HB THR 75 HB THR 75 -8.206 13.818 -4.738 520 HG1 THR 75 HG1 THR 75 -9.914 15.116 -3.782 521 1HG2 THR 75 1HG2 THR 75 -10.568 13.230 -6.378 522 2HG2 THR 75 2HG2 THR 75 -10.466 14.907 -5.843 523 3HG2 THR 75 3HG2 THR 75 -9.138 14.190 -6.757 524 H ALA 76 H ALA 76 -7.996 9.866 -4.719 525 HA ALA 76 HA ALA 76 -7.230 10.340 -7.546 526 1HB ALA 76 1HB ALA 76 -5.965 9.432 -5.249 527 2HB ALA 76 2HB ALA 76 -6.199 7.966 -6.199 528 3HB ALA 76 3HB ALA 76 -5.323 9.331 -6.889 529 H GLU 77 H GLU 77 -6.678 7.531 -7.909 530 HA GLU 77 HA GLU 77 -9.167 6.686 -9.129 531 1HB GLU 77 1HB GLU 77 -7.540 6.029 -10.506 532 2HB GLU 77 2HB GLU 77 -6.339 6.398 -9.285 533 1HG GLU 77 1HG GLU 77 -6.468 4.162 -8.390 534 2HG GLU 77 2HG GLU 77 -7.864 3.791 -9.408 535 H LEU 78 H LEU 78 -10.044 6.559 -6.628 536 HA LEU 78 HA LEU 78 -9.115 4.383 -5.072 537 1HB LEU 78 1HB LEU 78 -10.901 6.292 -4.536 538 2HB LEU 78 2HB LEU 78 -11.999 4.923 -4.827 539 HG LEU 78 HG LEU 78 -9.890 3.787 -3.502 540 1HD1 LEU 78 1HD1 LEU 78 -10.094 6.560 -2.641 541 2HD1 LEU 78 2HD1 LEU 78 -9.993 5.345 -1.361 542 3HD1 LEU 78 3HD1 LEU 78 -8.738 5.426 -2.604 543 1HD2 LEU 78 1HD2 LEU 78 -12.627 4.044 -3.108 544 2HD2 LEU 78 2HD2 LEU 78 -11.505 2.910 -2.342 545 3HD2 LEU 78 3HD2 LEU 78 -11.862 4.468 -1.572 546 H LYS 79 H LYS 79 -9.914 2.435 -4.621 547 HA LYS 79 HA LYS 79 -11.116 0.974 -6.929 548 1HB LYS 79 1HB LYS 79 -8.691 0.827 -5.170 549 2HB LYS 79 2HB LYS 79 -9.239 -0.633 -6.009 550 1HG LYS 79 1HG LYS 79 -8.849 1.939 -7.517 551 2HG LYS 79 2HG LYS 79 -7.465 0.926 -7.146 552 1HD LYS 79 1HD LYS 79 -8.034 -0.638 -8.631 553 2HD LYS 79 2HD LYS 79 -9.739 -0.570 -8.193 554 1HE LYS 79 1HE LYS 79 -10.184 0.684 -10.028 555 2HE LYS 79 2HE LYS 79 -8.989 1.891 -9.510 556 1HZ LYS 79 1HZ LYS 79 -7.312 0.082 -10.264 557 2HZ LYS 79 2HZ LYS 79 -8.608 -0.487 -11.202 558 3HZ LYS 79 3HZ LYS 79 -8.028 1.091 -11.428 559 HA PRO 80 HA PRO 80 -13.307 -1.372 -3.836 560 1HB PRO 80 1HB PRO 80 -12.877 -3.956 -4.630 561 2HB PRO 80 2HB PRO 80 -13.983 -2.868 -5.495 562 1HG PRO 80 1HG PRO 80 -11.200 -3.681 -6.161 563 2HG PRO 80 2HG PRO 80 -12.578 -3.389 -7.233 564 1HD PRO 80 1HD PRO 80 -10.551 -1.603 -6.860 565 2HD PRO 80 2HD PRO 80 -12.202 -1.136 -7.319 566 H ASN 81 H ASN 81 -10.003 -2.085 -4.620 567 HA ASN 81 HA ASN 81 -9.512 -3.228 -1.898 568 1HB ASN 81 1HB ASN 81 -7.467 -4.160 -3.091 569 2HB ASN 81 2HB ASN 81 -9.016 -4.776 -3.664 570 1HD2 ASN 81 2HD2 ASN 81 -6.105 -3.385 -4.711 571 2HD2 ASN 81 1HD2 ASN 81 -6.612 -2.875 -6.249 572 H SER 82 H SER 82 -9.490 -0.258 -2.934 573 HA SER 82 HA SER 82 -6.945 0.920 -3.074 574 1HB SER 82 1HB SER 82 -9.579 1.585 -1.873 575 2HB SER 82 2HB SER 82 -8.201 2.575 -1.400 576 HG SER 82 HG SER 82 -8.151 3.391 -3.278 577 H ARG 83 H ARG 83 -5.484 1.711 -1.349 578 HA ARG 83 HA ARG 83 -6.008 0.766 1.377 579 1HB ARG 83 1HB ARG 83 -4.683 -0.880 -0.603 580 2HB ARG 83 2HB ARG 83 -3.618 -0.588 0.770 581 1HG ARG 83 1HG ARG 83 -6.353 -1.870 0.757 582 2HG ARG 83 2HG ARG 83 -4.833 -2.546 1.338 583 1HD ARG 83 1HD ARG 83 -5.316 -0.112 2.771 584 2HD ARG 83 2HD ARG 83 -6.778 -1.112 2.845 585 HE ARG 83 HE ARG 83 -4.288 -1.717 4.143 586 1HH1 ARG 83 1HH1 ARG 83 -6.849 -3.135 2.297 587 2HH1 ARG 83 2HH1 ARG 83 -6.671 -4.694 3.028 588 1HH2 ARG 83 1HH2 ARG 83 -4.100 -3.716 5.130 589 2HH2 ARG 83 2HH2 ARG 83 -5.122 -5.021 4.632 590 H LEU 84 H LEU 84 -4.529 1.555 2.891 591 HA LEU 84 HA LEU 84 -2.587 3.560 1.844 592 1HB LEU 84 1HB LEU 84 -4.078 3.192 4.456 593 2HB LEU 84 2HB LEU 84 -2.794 4.388 4.253 594 HG LEU 84 HG LEU 84 -5.206 4.217 2.432 595 1HD1 LEU 84 1HD1 LEU 84 -4.710 5.842 4.923 596 2HD1 LEU 84 2HD1 LEU 84 -5.889 6.308 3.707 597 3HD1 LEU 84 3HD1 LEU 84 -6.080 4.788 4.575 598 1HD2 LEU 84 1HD2 LEU 84 -2.930 5.368 1.796 599 2HD2 LEU 84 2HD2 LEU 84 -4.443 6.226 1.504 600 3HD2 LEU 84 3HD2 LEU 84 -3.465 6.621 2.916 601 H CYS 85 H CYS 85 -0.774 2.432 1.550 602 HA CYS 85 HA CYS 85 0.385 0.219 2.314 603 1HB CYS 85 1HB CYS 85 1.256 2.460 1.274 604 2HB CYS 85 2HB CYS 85 1.963 2.690 2.867 605 HG CYS 85 HG CYS 85 3.621 1.311 1.321 606 H CYS 86 H CYS 86 0.043 2.842 4.779 607 HA CYS 86 HA CYS 86 1.595 1.412 6.764 608 1HB CYS 86 1HB CYS 86 0.630 3.093 8.301 609 2HB CYS 86 2HB CYS 86 1.214 3.833 6.819 610 H GLN 87 H GLN 87 -1.274 0.452 5.438 611 HA GLN 87 HA GLN 87 -2.119 -0.846 8.005 612 1HB GLN 87 1HB GLN 87 -3.742 0.231 5.680 613 2HB GLN 87 2HB GLN 87 -4.430 -0.709 7.004 614 1HG GLN 87 1HG GLN 87 -2.964 1.932 7.270 615 2HG GLN 87 2HG GLN 87 -4.699 1.686 7.460 616 1HE2 GLN 87 2HE2 GLN 87 -1.715 1.696 9.147 617 2HE2 GLN 87 1HE2 GLN 87 -2.263 0.981 10.586 618 H ILE 88 H ILE 88 -0.384 -1.668 5.520 619 HA ILE 88 HA ILE 88 -1.911 -4.177 4.905 620 HB ILE 88 HB ILE 88 -0.165 -2.339 3.273 621 1HG1 ILE 88 1HG1 ILE 88 -2.708 -2.236 3.344 622 2HG1 ILE 88 2HG1 ILE 88 -1.998 -2.414 1.740 623 1HG2 ILE 88 1HG2 ILE 88 -0.697 -5.274 2.736 624 2HG2 ILE 88 2HG2 ILE 88 -0.138 -4.138 1.508 625 3HG2 ILE 88 3HG2 ILE 88 0.874 -4.492 2.908 626 1HD1 ILE 88 1HD1 ILE 88 -3.066 -4.681 3.440 627 2HD1 ILE 88 2HD1 ILE 88 -3.897 -3.970 2.058 628 3HD1 ILE 88 3HD1 ILE 88 -2.383 -4.841 1.824 629 H ILE 89 H ILE 89 -0.954 -5.605 6.438 630 HA ILE 89 HA ILE 89 2.009 -5.654 6.690 631 HB ILE 89 HB ILE 89 -0.366 -6.745 8.132 632 1HG1 ILE 89 1HG1 ILE 89 0.601 -5.716 9.976 633 2HG1 ILE 89 2HG1 ILE 89 2.241 -5.969 9.383 634 1HG2 ILE 89 1HG2 ILE 89 2.108 -8.292 7.686 635 2HG2 ILE 89 2HG2 ILE 89 1.658 -8.109 9.381 636 3HG2 ILE 89 3HG2 ILE 89 0.526 -8.836 8.242 637 1HD1 ILE 89 1HD1 ILE 89 0.321 -4.112 7.970 638 2HD1 ILE 89 2HD1 ILE 89 1.334 -3.557 9.307 639 3HD1 ILE 89 3HD1 ILE 89 2.079 -4.183 7.834 640 H MET 90 H MET 90 3.206 -7.035 5.452 641 HA MET 90 HA MET 90 1.830 -8.807 3.589 642 1HB MET 90 1HB MET 90 4.667 -7.979 4.118 643 2HB MET 90 2HB MET 90 4.274 -9.195 2.907 644 1HG MET 90 1HG MET 90 3.621 -6.260 2.930 645 2HG MET 90 2HG MET 90 4.334 -7.222 1.649 646 1HE MET 90 1HE MET 90 2.761 -9.651 1.906 647 2HE MET 90 2HE MET 90 1.022 -9.613 1.540 648 3HE MET 90 3HE MET 90 2.216 -9.337 0.264 649 H THR 91 H THR 91 1.718 -11.012 3.713 650 HA THR 91 HA THR 91 3.062 -12.262 6.106 651 HB THR 91 HB THR 91 1.141 -13.339 6.568 652 HG1 THR 91 HG1 THR 91 0.523 -13.588 3.836 653 1HG2 THR 91 1HG2 THR 91 0.112 -11.368 4.541 654 2HG2 THR 91 2HG2 THR 91 -0.932 -12.318 5.591 655 3HG2 THR 91 3HG2 THR 91 0.197 -11.155 6.287 656 HA PRO 92 HA PRO 92 5.210 -15.046 3.641 657 1HB PRO 92 1HB PRO 92 4.679 -17.463 4.803 658 2HB PRO 92 2HB PRO 92 5.754 -16.261 5.527 659 1HG PRO 92 1HG PRO 92 2.904 -16.886 6.136 660 2HG PRO 92 2HG PRO 92 4.239 -16.514 7.242 661 1HD PRO 92 1HD PRO 92 2.378 -14.688 6.566 662 2HD PRO 92 2HD PRO 92 4.067 -14.249 6.905 663 H GLU 93 H GLU 93 1.751 -15.248 3.765 664 HA GLU 93 HA GLU 93 1.735 -17.374 1.666 665 1HB GLU 93 1HB GLU 93 -0.834 -16.370 1.847 666 2HB GLU 93 2HB GLU 93 -0.252 -17.820 2.649 667 1HG GLU 93 1HG GLU 93 0.507 -16.174 4.502 668 2HG GLU 93 2HG GLU 93 -0.625 -15.057 3.725 669 H LEU 94 H LEU 94 1.324 -14.006 2.200 670 HA LEU 94 HA LEU 94 0.491 -13.423 -0.548 671 1HB LEU 94 1HB LEU 94 1.023 -11.825 1.964 672 2HB LEU 94 2HB LEU 94 0.506 -11.086 0.461 673 HG LEU 94 HG LEU 94 -0.953 -13.402 1.703 674 1HD1 LEU 94 1HD1 LEU 94 -0.840 -11.125 3.028 675 2HD1 LEU 94 2HD1 LEU 94 -1.970 -10.587 1.789 676 3HD1 LEU 94 3HD1 LEU 94 -2.377 -11.957 2.825 677 1HD2 LEU 94 1HD2 LEU 94 -0.940 -12.448 -0.807 678 2HD2 LEU 94 2HD2 LEU 94 -2.375 -13.148 -0.047 679 3HD2 LEU 94 3HD2 LEU 94 -2.158 -11.397 -0.096 680 H ASP 95 H ASP 95 3.210 -14.563 0.025 681 HA ASP 95 HA ASP 95 5.145 -12.489 -0.303 682 1HB ASP 95 1HB ASP 95 6.551 -14.419 -1.121 683 2HB ASP 95 2HB ASP 95 5.708 -14.780 0.385 684 H GLY 96 H GLY 96 4.816 -11.038 -1.994 685 1HA GLY 96 1HA GLY 96 5.407 -10.926 -4.476 686 2HA GLY 96 2HA GLY 96 4.206 -12.199 -4.687 687 H ILE 97 H ILE 97 3.563 -9.718 -2.371 688 HA ILE 97 HA ILE 97 1.081 -8.966 -3.425 689 HB ILE 97 HB ILE 97 1.450 -8.464 -1.156 690 1HG1 ILE 97 1HG1 ILE 97 1.224 -6.125 -0.878 691 2HG1 ILE 97 2HG1 ILE 97 2.187 -5.779 -2.317 692 1HG2 ILE 97 1HG2 ILE 97 4.143 -8.060 -2.066 693 2HG2 ILE 97 2HG2 ILE 97 3.655 -6.729 -1.029 694 3HG2 ILE 97 3HG2 ILE 97 3.560 -8.396 -0.441 695 1HD1 ILE 97 1HD1 ILE 97 0.065 -7.450 -3.104 696 2HD1 ILE 97 2HD1 ILE 97 -0.629 -6.175 -2.112 697 3HD1 ILE 97 3HD1 ILE 97 0.321 -5.767 -3.539 698 H VAL 98 H VAL 98 0.425 -7.444 -4.852 699 HA VAL 98 HA VAL 98 2.543 -5.869 -6.259 700 HB VAL 98 HB VAL 98 -0.239 -6.439 -7.256 701 1HG1 VAL 98 1HG1 VAL 98 2.441 -5.766 -8.398 702 2HG1 VAL 98 2HG1 VAL 98 1.326 -6.707 -9.389 703 3HG1 VAL 98 3HG1 VAL 98 0.854 -5.112 -8.804 704 1HG2 VAL 98 1HG2 VAL 98 2.098 -8.381 -7.280 705 2HG2 VAL 98 2HG2 VAL 98 0.528 -8.645 -6.516 706 3HG2 VAL 98 3HG2 VAL 98 0.656 -8.566 -8.277 707 H VAL 99 H VAL 99 2.475 -3.737 -5.472 708 HA VAL 99 HA VAL 99 -0.145 -2.711 -4.449 709 HB VAL 99 HB VAL 99 2.255 -1.003 -4.237 710 1HG1 VAL 99 1HG1 VAL 99 -0.165 -1.820 -2.804 711 2HG1 VAL 99 2HG1 VAL 99 1.238 -1.669 -1.737 712 3HG1 VAL 99 3HG1 VAL 99 0.726 -0.296 -2.721 713 1HG2 VAL 99 1HG2 VAL 99 2.186 -3.719 -2.880 714 2HG2 VAL 99 2HG2 VAL 99 3.396 -3.166 -4.035 715 3HG2 VAL 99 3HG2 VAL 99 3.278 -2.400 -2.454 716 H ASP 100 H ASP 100 -0.933 -0.672 -5.182 717 HA ASP 100 HA ASP 100 0.170 0.143 -7.849 718 1HB ASP 100 1HB ASP 100 -2.394 -0.822 -6.970 719 2HB ASP 100 2HB ASP 100 -2.561 0.767 -7.711 720 H VAL 101 H VAL 101 0.752 2.234 -7.964 721 HA VAL 101 HA VAL 101 -0.098 4.008 -5.740 722 HB VAL 101 HB VAL 101 2.115 4.073 -7.788 723 1HG1 VAL 101 1HG1 VAL 101 1.460 6.072 -5.615 724 2HG1 VAL 101 2HG1 VAL 101 2.914 6.090 -6.613 725 3HG1 VAL 101 3HG1 VAL 101 1.336 6.358 -7.349 726 1HG2 VAL 101 1HG2 VAL 101 2.252 2.505 -5.811 727 2HG2 VAL 101 2HG2 VAL 101 3.551 3.698 -5.879 728 3HG2 VAL 101 3HG2 VAL 101 2.203 3.925 -4.765 729 HA PRO 102 HA PRO 102 -2.754 6.083 -8.632 730 1HB PRO 102 1HB PRO 102 -3.716 7.891 -6.850 731 2HB PRO 102 2HB PRO 102 -4.170 6.182 -6.822 732 1HG PRO 102 1HG PRO 102 -2.375 7.668 -5.043 733 2HG PRO 102 2HG PRO 102 -3.333 6.219 -4.726 734 1HD PRO 102 1HD PRO 102 -0.573 6.352 -5.256 735 2HD PRO 102 2HD PRO 102 -1.581 4.902 -5.153 736 H ASP 103 H ASP 103 -3.297 8.447 -9.158 737 HA ASP 103 HA ASP 103 -0.798 10.015 -9.463 738 1HB ASP 103 1HB ASP 103 -2.395 9.495 -11.345 739 2HB ASP 103 2HB ASP 103 -3.608 10.472 -10.518 740 H ARG 104 H ARG 104 -3.634 9.870 -7.518 741 HA ARG 104 HA ARG 104 -3.292 12.683 -6.536 742 1HB ARG 104 1HB ARG 104 -5.512 11.132 -7.369 743 2HB ARG 104 2HB ARG 104 -5.636 11.239 -5.616 744 1HG ARG 104 1HG ARG 104 -6.757 13.171 -6.299 745 2HG ARG 104 2HG ARG 104 -5.128 13.777 -5.998 746 1HD ARG 104 1HD ARG 104 -6.111 14.542 -8.198 747 2HD ARG 104 2HD ARG 104 -4.592 13.644 -8.375 748 HE ARG 104 HE ARG 104 -5.877 11.689 -9.061 749 1HH1 ARG 104 1HH1 ARG 104 -7.217 14.702 -9.679 750 2HH1 ARG 104 2HH1 ARG 104 -8.801 14.118 -10.061 751 1HH2 ARG 104 1HH2 ARG 104 -8.133 10.863 -9.081 752 2HH2 ARG 104 2HH2 ARG 104 -9.319 11.949 -9.722 753 H GLN 105 H GLN 105 -1.352 11.499 -5.409 754 HA GLN 105 HA GLN 105 -2.210 9.758 -3.185 755 1HB GLN 105 1HB GLN 105 0.229 10.345 -4.757 756 2HB GLN 105 2HB GLN 105 0.524 10.021 -3.049 757 1HG GLN 105 1HG GLN 105 -1.246 8.046 -3.600 758 2HG GLN 105 2HG GLN 105 -0.465 8.207 -5.174 759 1HE2 GLN 105 2HE2 GLN 105 -0.051 7.019 -1.933 760 2HE2 GLN 105 1HE2 GLN 105 1.557 6.504 -2.105 761 H TRP 106 H TRP 106 -3.235 12.016 -2.521 762 HA TRP 106 HA TRP 106 -1.559 14.043 -1.299 763 1HB TRP 106 1HB TRP 106 -3.626 15.015 -0.875 764 2HB TRP 106 2HB TRP 106 -4.062 13.916 -2.187 765 HD1 TRP 106 HD1 TRP 106 -5.681 11.934 -1.605 766 HE1 TRP 106 HE1 TRP 106 -6.921 11.229 0.557 767 HE3 TRP 106 HE3 TRP 106 -3.332 14.974 1.665 768 HZ2 TRP 106 HZ2 TRP 106 -6.893 11.940 3.365 769 HZ3 TRP 106 HZ3 TRP 106 -3.927 14.979 4.080 770 HH2 TRP 106 HH2 TRP 106 -5.702 13.461 4.935 Start of MODEL 3 1 3H SER 1 3H SER 1 8.423 -12.690 3.282 2 1H SER 1 1H SER 1 9.342 -11.564 2.404 3 2H SER 1 2H SER 1 8.124 -11.027 3.454 4 HA SER 1 HA SER 1 7.281 -12.855 1.334 5 1HB SER 1 1HB SER 1 5.995 -10.278 2.001 6 2HB SER 1 2HB SER 1 5.284 -11.870 1.853 7 HG SER 1 HG SER 1 5.495 -10.838 4.045 8 H LYS 2 H LYS 2 6.836 -11.998 -0.805 9 HA LYS 2 HA LYS 2 8.813 -10.066 -1.747 10 1HB LYS 2 1HB LYS 2 6.721 -11.878 -2.921 11 2HB LYS 2 2HB LYS 2 7.576 -10.719 -3.921 12 1HG LYS 2 1HG LYS 2 9.614 -11.856 -2.505 13 2HG LYS 2 2HG LYS 2 8.505 -13.212 -2.702 14 1HD LYS 2 1HD LYS 2 9.028 -11.513 -5.098 15 2HD LYS 2 2HD LYS 2 10.318 -12.597 -4.579 16 1HE LYS 2 1HE LYS 2 7.527 -13.692 -4.762 17 2HE LYS 2 2HE LYS 2 8.465 -13.477 -6.255 18 1HZ LYS 2 1HZ LYS 2 9.523 -14.809 -3.821 19 2HZ LYS 2 2HZ LYS 2 8.840 -15.654 -5.128 20 3HZ LYS 2 3HZ LYS 2 10.251 -14.740 -5.354 21 H VAL 3 H VAL 3 8.296 -8.069 -2.620 22 HA VAL 3 HA VAL 3 5.500 -7.147 -2.538 23 HB VAL 3 HB VAL 3 7.947 -6.058 -1.224 24 1HG1 VAL 3 1HG1 VAL 3 6.517 -4.273 -2.400 25 2HG1 VAL 3 2HG1 VAL 3 5.207 -4.741 -1.263 26 3HG1 VAL 3 3HG1 VAL 3 6.739 -4.080 -0.647 27 1HG2 VAL 3 1HG2 VAL 3 5.367 -7.330 -0.454 28 2HG2 VAL 3 2HG2 VAL 3 6.993 -7.678 0.107 29 3HG2 VAL 3 3HG2 VAL 3 6.152 -6.242 0.680 30 H VAL 4 H VAL 4 4.986 -5.906 -4.238 31 HA VAL 4 HA VAL 4 7.220 -4.570 -5.679 32 HB VAL 4 HB VAL 4 5.167 -6.323 -7.006 33 1HG1 VAL 4 1HG1 VAL 4 6.899 -4.331 -8.009 34 2HG1 VAL 4 2HG1 VAL 4 7.591 -5.882 -8.484 35 3HG1 VAL 4 3HG1 VAL 4 5.937 -5.477 -8.942 36 1HG2 VAL 4 1HG2 VAL 4 7.949 -6.860 -6.023 37 2HG2 VAL 4 2HG2 VAL 4 6.501 -7.846 -5.826 38 3HG2 VAL 4 3HG2 VAL 4 7.300 -7.756 -7.397 39 H TYR 5 H TYR 5 6.330 -2.585 -4.939 40 HA TYR 5 HA TYR 5 3.590 -1.797 -5.257 41 1HB TYR 5 1HB TYR 5 6.111 -0.129 -5.132 42 2HB TYR 5 2HB TYR 5 4.491 0.408 -4.734 43 HD1 TYR 5 HD1 TYR 5 7.267 -1.891 -3.639 44 HD2 TYR 5 HD2 TYR 5 3.521 0.001 -2.630 45 HE1 TYR 5 HE1 TYR 5 7.609 -2.482 -1.338 46 HE2 TYR 5 HE2 TYR 5 3.884 -0.632 -0.288 47 HH TYR 5 HH TYR 5 6.735 -2.538 0.711 48 H VAL 6 H VAL 6 2.621 -0.891 -7.080 49 HA VAL 6 HA VAL 6 4.342 -0.617 -9.487 50 HB VAL 6 HB VAL 6 1.347 -0.722 -9.047 51 1HG1 VAL 6 1HG1 VAL 6 2.080 0.483 -11.107 52 2HG1 VAL 6 2HG1 VAL 6 2.944 -0.972 -11.600 53 3HG1 VAL 6 3HG1 VAL 6 1.188 -0.998 -11.448 54 1HG2 VAL 6 1HG2 VAL 6 3.400 -2.774 -9.899 55 2HG2 VAL 6 2HG2 VAL 6 2.389 -2.828 -8.445 56 3HG2 VAL 6 3HG2 VAL 6 1.659 -3.014 -10.049 57 H SER 7 H SER 7 3.749 1.328 -10.904 58 HA SER 7 HA SER 7 3.407 3.723 -9.156 59 1HB SER 7 1HB SER 7 4.556 4.868 -11.024 60 2HB SER 7 2HB SER 7 5.476 3.465 -10.494 61 HG SER 7 HG SER 7 4.486 3.990 -12.902 62 H HIS 8 H HIS 8 2.727 5.449 -11.366 63 HA HIS 8 HA HIS 8 -0.145 4.762 -11.599 64 1HB HIS 8 1HB HIS 8 0.891 7.168 -12.975 65 2HB HIS 8 2HB HIS 8 -0.429 7.028 -11.826 66 HD1 HIS 8 HD1 HIS 8 1.275 5.815 -9.469 67 HD2 HIS 8 HD2 HIS 8 2.341 9.183 -11.673 68 HE1 HIS 8 HE1 HIS 8 2.825 7.175 -7.996 69 H ASP 9 H ASP 9 2.775 4.993 -13.496 70 HA ASP 9 HA ASP 9 1.365 4.414 -16.038 71 1HB ASP 9 1HB ASP 9 3.548 4.832 -17.007 72 2HB ASP 9 2HB ASP 9 3.270 6.061 -15.774 73 H GLY 10 H GLY 10 2.607 2.688 -13.427 74 1HA GLY 10 1HA GLY 10 2.264 0.215 -13.495 75 2HA GLY 10 2HA GLY 10 2.942 0.247 -15.126 76 H THR 11 H THR 11 5.038 2.274 -14.115 77 HA THR 11 HA THR 11 7.148 0.497 -13.671 78 HB THR 11 HB THR 11 6.654 3.316 -13.672 79 HG1 THR 11 HG1 THR 11 8.611 3.291 -14.568 80 1HG2 THR 11 1HG2 THR 11 8.266 2.225 -11.384 81 2HG2 THR 11 2HG2 THR 11 8.679 3.791 -12.095 82 3HG2 THR 11 3HG2 THR 11 7.088 3.547 -11.364 83 H ARG 12 H ARG 12 7.681 -0.670 -11.952 84 HA ARG 12 HA ARG 12 6.347 -0.101 -9.337 85 1HB ARG 12 1HB ARG 12 7.221 -2.856 -10.137 86 2HB ARG 12 2HB ARG 12 5.865 -2.373 -9.123 87 1HG ARG 12 1HG ARG 12 4.643 -1.559 -11.074 88 2HG ARG 12 2HG ARG 12 6.017 -1.927 -12.118 89 1HD ARG 12 1HD ARG 12 5.747 -4.275 -11.834 90 2HD ARG 12 2HD ARG 12 4.681 -4.060 -10.430 91 HE ARG 12 HE ARG 12 3.410 -2.676 -12.483 92 1HH1 ARG 12 1HH1 ARG 12 3.104 -5.588 -11.072 93 2HH1 ARG 12 2HH1 ARG 12 2.569 -6.464 -12.467 94 1HH2 ARG 12 1HH2 ARG 12 3.354 -3.921 -14.691 95 2HH2 ARG 12 2HH2 ARG 12 2.711 -5.520 -14.516 96 H ARG 13 H ARG 13 7.519 -1.635 -7.613 97 HA ARG 13 HA ARG 13 10.482 -1.375 -7.754 98 1HB ARG 13 1HB ARG 13 9.611 -1.089 -5.066 99 2HB ARG 13 2HB ARG 13 10.370 0.154 -6.051 100 1HG ARG 13 1HG ARG 13 7.434 -0.291 -6.382 101 2HG ARG 13 2HG ARG 13 7.983 0.498 -4.909 102 1HD ARG 13 1HD ARG 13 9.456 1.879 -6.711 103 2HD ARG 13 2HD ARG 13 8.042 1.492 -7.709 104 HE ARG 13 HE ARG 13 7.193 2.345 -5.098 105 1HH1 ARG 13 1HH1 ARG 13 6.982 3.149 -8.282 106 2HH1 ARG 13 2HH1 ARG 13 6.974 4.867 -8.063 107 1HH2 ARG 13 1HH2 ARG 13 7.842 4.711 -4.710 108 2HH2 ARG 13 2HH2 ARG 13 7.461 5.752 -6.041 109 H GLU 14 H GLU 14 11.204 -2.842 -5.639 110 HA GLU 14 HA GLU 14 9.197 -4.966 -5.214 111 1HB GLU 14 1HB GLU 14 11.644 -5.154 -6.927 112 2HB GLU 14 2HB GLU 14 11.285 -6.553 -5.915 113 1HG GLU 14 1HG GLU 14 9.666 -7.192 -7.336 114 2HG GLU 14 2HG GLU 14 8.844 -5.649 -7.113 115 H LEU 15 H LEU 15 9.301 -5.069 -2.998 116 HA LEU 15 HA LEU 15 11.921 -4.876 -1.587 117 1HB LEU 15 1HB LEU 15 9.067 -4.874 -0.571 118 2HB LEU 15 2HB LEU 15 10.487 -4.392 0.336 119 HG LEU 15 HG LEU 15 9.072 -3.020 -1.873 120 1HD1 LEU 15 1HD1 LEU 15 9.114 -2.746 0.849 121 2HD1 LEU 15 2HD1 LEU 15 10.341 -1.574 0.360 122 3HD1 LEU 15 3HD1 LEU 15 8.695 -1.444 -0.265 123 1HD2 LEU 15 1HD2 LEU 15 11.975 -3.055 -1.387 124 2HD2 LEU 15 2HD2 LEU 15 11.076 -2.591 -2.830 125 3HD2 LEU 15 3HD2 LEU 15 11.258 -1.450 -1.496 126 H ASP 16 H ASP 16 11.022 -6.105 0.711 127 HA ASP 16 HA ASP 16 10.167 -8.854 0.134 128 1HB ASP 16 1HB ASP 16 12.667 -8.737 -0.239 129 2HB ASP 16 2HB ASP 16 12.845 -8.183 1.426 130 H VAL 17 H VAL 17 8.485 -7.479 1.414 131 HA VAL 17 HA VAL 17 9.191 -6.937 4.255 132 HB VAL 17 HB VAL 17 6.456 -6.639 3.039 133 1HG1 VAL 17 1HG1 VAL 17 7.996 -5.667 5.229 134 2HG1 VAL 17 2HG1 VAL 17 7.434 -4.323 4.232 135 3HG1 VAL 17 3HG1 VAL 17 6.273 -5.468 4.903 136 1HG2 VAL 17 1HG2 VAL 17 8.947 -5.103 2.275 137 2HG2 VAL 17 2HG2 VAL 17 7.781 -5.827 1.192 138 3HG2 VAL 17 3HG2 VAL 17 7.341 -4.400 2.120 139 H ALA 18 H ALA 18 8.861 -8.334 5.822 140 HA ALA 18 HA ALA 18 7.637 -10.962 5.300 141 1HB ALA 18 1HB ALA 18 9.763 -10.634 6.518 142 2HB ALA 18 2HB ALA 18 8.887 -9.712 7.748 143 3HB ALA 18 3HB ALA 18 8.550 -11.431 7.530 144 H ASP 19 H ASP 19 6.434 -11.902 7.210 145 HA ASP 19 HA ASP 19 3.870 -10.794 7.588 146 1HB ASP 19 1HB ASP 19 4.272 -12.268 9.842 147 2HB ASP 19 2HB ASP 19 3.857 -12.986 8.301 148 H GLY 20 H GLY 20 3.353 -9.028 8.610 149 1HA GLY 20 1HA GLY 20 3.171 -7.854 10.771 150 2HA GLY 20 2HA GLY 20 4.817 -8.356 11.125 151 H VAL 21 H VAL 21 5.655 -7.446 8.239 152 HA VAL 21 HA VAL 21 6.167 -4.691 9.131 153 HB VAL 21 HB VAL 21 6.784 -6.102 6.536 154 1HG1 VAL 21 1HG1 VAL 21 7.565 -3.450 7.695 155 2HG1 VAL 21 2HG1 VAL 21 8.499 -4.229 6.414 156 3HG1 VAL 21 3HG1 VAL 21 6.814 -3.799 6.134 157 1HG2 VAL 21 1HG2 VAL 21 7.888 -6.970 8.698 158 2HG2 VAL 21 2HG2 VAL 21 8.935 -6.557 7.324 159 3HG2 VAL 21 3HG2 VAL 21 8.750 -5.429 8.685 160 H SER 22 H SER 22 5.478 -2.875 7.952 161 HA SER 22 HA SER 22 2.990 -3.344 6.357 162 1HB SER 22 1HB SER 22 3.226 -0.644 6.631 163 2HB SER 22 2HB SER 22 2.475 -1.661 7.857 164 HG SER 22 HG SER 22 4.045 -1.117 9.127 165 H LEU 23 H LEU 23 3.125 -3.088 4.091 166 HA LEU 23 HA LEU 23 5.513 -2.933 2.668 167 1HB LEU 23 1HB LEU 23 2.722 -1.919 2.204 168 2HB LEU 23 2HB LEU 23 3.945 -1.769 0.972 169 HG LEU 23 HG LEU 23 2.764 -4.279 2.098 170 1HD1 LEU 23 1HD1 LEU 23 3.272 -3.222 -0.665 171 2HD1 LEU 23 2HD1 LEU 23 2.607 -4.817 -0.314 172 3HD1 LEU 23 3HD1 LEU 23 1.715 -3.369 0.148 173 1HD2 LEU 23 1HD2 LEU 23 5.482 -3.900 0.930 174 2HD2 LEU 23 2HD2 LEU 23 4.977 -4.934 2.266 175 3HD2 LEU 23 3HD2 LEU 23 4.589 -5.378 0.600 176 H MET 24 H MET 24 3.700 -0.430 4.247 177 HA MET 24 HA MET 24 4.992 1.792 2.965 178 1HB MET 24 1HB MET 24 2.894 2.230 3.811 179 2HB MET 24 2HB MET 24 3.145 1.187 5.203 180 1HG MET 24 1HG MET 24 4.686 3.766 4.881 181 2HG MET 24 2HG MET 24 3.065 3.772 5.570 182 1HE MET 24 1HE MET 24 6.282 4.116 6.009 183 2HE MET 24 2HE MET 24 5.654 4.797 7.511 184 3HE MET 24 3HE MET 24 6.826 3.483 7.573 185 H GLN 25 H GLN 25 5.908 -0.402 5.370 186 HA GLN 25 HA GLN 25 7.907 1.390 6.616 187 1HB GLN 25 1HB GLN 25 6.950 -0.061 8.185 188 2HB GLN 25 2HB GLN 25 6.757 -1.354 7.003 189 1HG GLN 25 1HG GLN 25 8.929 -2.107 7.270 190 2HG GLN 25 2HG GLN 25 9.539 -0.510 7.705 191 1HE2 GLN 25 1HE2 GLN 25 6.633 -1.705 9.280 192 2HE2 GLN 25 2HE2 GLN 25 7.348 -2.006 10.791 193 H ALA 26 H ALA 26 7.938 -1.874 5.052 194 HA ALA 26 HA ALA 26 10.683 -1.966 4.421 195 1HB ALA 26 1HB ALA 26 8.196 -2.978 3.029 196 2HB ALA 26 2HB ALA 26 9.818 -3.440 2.517 197 3HB ALA 26 3HB ALA 26 9.250 -3.864 4.134 198 H ALA 27 H ALA 27 8.078 -0.782 2.184 199 HA ALA 27 HA ALA 27 9.640 0.116 0.043 200 1HB ALA 27 1HB ALA 27 7.149 1.136 1.397 201 2HB ALA 27 2HB ALA 27 7.784 1.938 -0.040 202 3HB ALA 27 3HB ALA 27 7.286 0.248 -0.121 203 H VAL 28 H VAL 28 8.780 2.013 2.934 204 HA VAL 28 HA VAL 28 10.436 4.278 2.254 205 HB VAL 28 HB VAL 28 8.538 3.394 4.210 206 1HG1 VAL 28 1HG1 VAL 28 11.131 4.447 5.388 207 2HG1 VAL 28 2HG1 VAL 28 9.588 4.493 6.241 208 3HG1 VAL 28 3HG1 VAL 28 10.303 2.943 5.793 209 1HG2 VAL 28 1HG2 VAL 28 9.470 5.792 2.946 210 2HG2 VAL 28 2HG2 VAL 28 7.933 5.508 3.762 211 3HG2 VAL 28 3HG2 VAL 28 9.321 6.095 4.677 212 H SER 29 H SER 29 11.284 1.144 3.081 213 HA SER 29 HA SER 29 13.784 1.883 4.517 214 1HB SER 29 1HB SER 29 13.150 0.015 5.614 215 2HB SER 29 2HB SER 29 11.823 -0.160 4.476 216 HG SER 29 HG SER 29 14.381 -1.304 4.448 217 H ASN 30 H ASN 30 12.529 0.640 1.501 218 HA ASN 30 HA ASN 30 15.185 -0.189 0.520 219 1HB ASN 30 1HB ASN 30 12.327 -0.293 -0.496 220 2HB ASN 30 2HB ASN 30 13.690 -0.956 -1.372 221 1HD2 ASN 30 2HD2 ASN 30 12.200 -1.140 1.876 222 2HD2 ASN 30 1HD2 ASN 30 12.514 -2.792 2.103 223 H GLY 31 H GLY 31 13.478 2.586 0.921 224 1HA GLY 31 1HA GLY 31 14.067 4.727 -0.005 225 2HA GLY 31 2HA GLY 31 14.893 3.909 -1.332 226 H ILE 32 H ILE 32 11.861 2.548 -0.772 227 HA ILE 32 HA ILE 32 10.802 3.484 -3.298 228 HB ILE 32 HB ILE 32 9.784 1.873 -0.956 229 1HG1 ILE 32 1HG1 ILE 32 10.760 1.257 -3.751 230 2HG1 ILE 32 2HG1 ILE 32 11.473 0.746 -2.219 231 1HG2 ILE 32 1HG2 ILE 32 8.063 3.198 -2.597 232 2HG2 ILE 32 2HG2 ILE 32 8.321 1.721 -3.530 233 3HG2 ILE 32 3HG2 ILE 32 7.711 1.624 -1.877 234 1HD1 ILE 32 1HD1 ILE 32 8.721 -0.064 -3.185 235 2HD1 ILE 32 2HD1 ILE 32 10.167 -1.062 -3.324 236 3HD1 ILE 32 3HD1 ILE 32 9.541 -0.642 -1.732 237 H TYR 33 H TYR 33 9.642 3.829 0.008 238 HA TYR 33 HA TYR 33 7.926 6.106 -0.658 239 1HB TYR 33 1HB TYR 33 8.602 4.440 1.747 240 2HB TYR 33 2HB TYR 33 7.743 5.965 1.960 241 HD1 TYR 33 HD1 TYR 33 7.032 4.757 -1.280 242 HD2 TYR 33 HD2 TYR 33 6.042 4.098 2.851 243 HE1 TYR 33 HE1 TYR 33 4.931 3.706 -1.961 244 HE2 TYR 33 HE2 TYR 33 3.935 3.019 2.160 245 HH TYR 33 HH TYR 33 2.607 3.354 -0.862 246 H ASP 34 H ASP 34 10.406 6.861 -1.392 247 HA ASP 34 HA ASP 34 12.217 7.982 0.414 248 1HB ASP 34 1HB ASP 34 12.619 9.631 -1.441 249 2HB ASP 34 2HB ASP 34 12.508 7.966 -2.012 250 H ILE 35 H ILE 35 8.943 8.977 -0.258 251 HA ILE 35 HA ILE 35 9.301 11.583 1.128 252 HB ILE 35 HB ILE 35 7.990 11.321 -0.997 253 1HG1 ILE 35 1HG1 ILE 35 5.795 12.330 0.082 254 2HG1 ILE 35 2HG1 ILE 35 6.759 12.303 1.559 255 1HG2 ILE 35 1HG2 ILE 35 7.096 9.005 0.036 256 2HG2 ILE 35 2HG2 ILE 35 5.766 10.053 0.530 257 3HG2 ILE 35 3HG2 ILE 35 6.185 9.905 -1.177 258 1HD1 ILE 35 1HD1 ILE 35 7.743 13.537 -1.022 259 2HD1 ILE 35 2HD1 ILE 35 6.901 14.459 0.222 260 3HD1 ILE 35 3HD1 ILE 35 8.450 13.698 0.585 261 H VAL 36 H VAL 36 8.617 11.875 3.246 262 HA VAL 36 HA VAL 36 7.826 9.527 4.803 263 HB VAL 36 HB VAL 36 8.147 12.477 5.444 264 1HG1 VAL 36 1HG1 VAL 36 7.351 10.116 7.073 265 2HG1 VAL 36 2HG1 VAL 36 8.519 11.219 7.799 266 3HG1 VAL 36 3HG1 VAL 36 6.941 11.818 7.286 267 1HG2 VAL 36 1HG2 VAL 36 10.114 10.882 4.654 268 2HG2 VAL 36 2HG2 VAL 36 10.352 11.995 6.002 269 3HG2 VAL 36 3HG2 VAL 36 10.010 10.293 6.314 270 H GLY 37 H GLY 37 5.832 9.419 6.062 271 1HA GLY 37 1HA GLY 37 3.512 10.404 4.579 272 2HA GLY 37 2HA GLY 37 3.465 9.390 6.022 273 H ASP 38 H ASP 38 1.651 11.083 6.430 274 HA ASP 38 HA ASP 38 2.821 13.541 7.685 275 1HB ASP 38 1HB ASP 38 0.914 13.291 5.754 276 2HB ASP 38 2HB ASP 38 -0.094 13.304 7.202 277 H CYS 39 H CYS 39 0.865 10.670 8.240 278 HA CYS 39 HA CYS 39 0.222 11.598 10.997 279 1HB CYS 39 1HB CYS 39 -1.502 9.988 10.921 280 2HB CYS 39 2HB CYS 39 -1.424 10.574 9.262 281 H GLY 40 H GLY 40 2.444 9.592 9.310 282 1HA GLY 40 1HA GLY 40 4.099 8.110 10.066 283 2HA GLY 40 2HA GLY 40 3.963 8.943 11.615 284 H GLY 41 H GLY 41 1.526 7.011 9.872 285 1HA GLY 41 1HA GLY 41 0.710 4.843 10.457 286 2HA GLY 41 2HA GLY 41 1.739 4.868 11.889 287 H SER 42 H SER 42 0.225 7.812 11.780 288 HA SER 42 HA SER 42 -1.607 7.068 13.953 289 1HB SER 42 1HB SER 42 -0.451 9.106 14.237 290 2HB SER 42 2HB SER 42 -0.704 9.586 12.561 291 HG SER 42 HG SER 42 -2.873 9.917 13.026 292 H ALA 43 H ALA 43 -1.929 6.571 10.786 293 HA ALA 43 HA ALA 43 -3.737 6.585 9.247 294 1HB ALA 43 1HB ALA 43 -4.254 5.178 11.486 295 2HB ALA 43 2HB ALA 43 -5.561 6.357 11.596 296 3HB ALA 43 3HB ALA 43 -5.427 5.318 10.177 297 H SER 44 H SER 44 -3.042 9.195 9.613 298 HA SER 44 HA SER 44 -5.696 10.563 9.771 299 1HB SER 44 1HB SER 44 -4.967 11.289 11.809 300 2HB SER 44 2HB SER 44 -3.293 10.863 11.462 301 HG SER 44 HG SER 44 -2.951 12.825 10.765 302 H CYS 45 H CYS 45 -3.426 9.773 7.706 303 HA CYS 45 HA CYS 45 -3.365 12.471 6.403 304 1HB CYS 45 1HB CYS 45 -1.077 12.246 6.014 305 2HB CYS 45 2HB CYS 45 -1.224 11.428 7.564 306 H ALA 46 H ALA 46 -2.480 11.938 3.956 307 HA ALA 46 HA ALA 46 -3.869 9.510 2.929 308 1HB ALA 46 1HB ALA 46 -5.444 11.450 2.999 309 2HB ALA 46 2HB ALA 46 -4.340 12.346 1.955 310 3HB ALA 46 3HB ALA 46 -5.138 10.891 1.354 311 H THR 47 H THR 47 -1.069 11.144 3.046 312 HA THR 47 HA THR 47 -0.310 11.384 0.256 313 HB THR 47 HB THR 47 0.720 12.538 2.255 314 HG1 THR 47 HG1 THR 47 2.209 11.032 0.414 315 1HG2 THR 47 1HG2 THR 47 0.687 10.348 3.603 316 2HG2 THR 47 2HG2 THR 47 2.156 9.926 2.721 317 3HG2 THR 47 3HG2 THR 47 2.125 11.358 3.752 318 H CYS 48 H CYS 48 -0.546 8.790 2.520 319 HA CYS 48 HA CYS 48 1.230 6.970 1.005 320 1HB CYS 48 1HB CYS 48 0.571 5.425 2.851 321 2HB CYS 48 2HB CYS 48 1.164 6.969 3.467 322 H HIS 49 H HIS 49 -1.268 8.100 -0.212 323 HA HIS 49 HA HIS 49 -3.336 6.084 -0.293 324 1HB HIS 49 1HB HIS 49 -3.799 8.380 -0.840 325 2HB HIS 49 2HB HIS 49 -2.488 8.432 -2.012 326 HD1 HIS 49 HD1 HIS 49 -5.149 5.749 -1.750 327 HD2 HIS 49 HD2 HIS 49 -3.935 8.706 -4.373 328 HE1 HIS 49 HE1 HIS 49 -6.543 5.455 -3.789 329 H VAL 50 H VAL 50 -3.367 4.192 -1.420 330 HA VAL 50 HA VAL 50 -1.904 3.977 -3.962 331 HB VAL 50 HB VAL 50 -0.163 2.691 -3.232 332 1HG1 VAL 50 1HG1 VAL 50 -1.095 3.654 -0.513 333 2HG1 VAL 50 2HG1 VAL 50 0.517 3.046 -0.887 334 3HG1 VAL 50 3HG1 VAL 50 -0.050 4.547 -1.619 335 1HG2 VAL 50 1HG2 VAL 50 -2.286 1.390 -1.537 336 2HG2 VAL 50 2HG2 VAL 50 -1.307 0.688 -2.840 337 3HG2 VAL 50 3HG2 VAL 50 -0.571 1.020 -1.259 338 H TYR 51 H TYR 51 -2.044 1.372 -4.454 339 HA TYR 51 HA TYR 51 -4.751 0.429 -3.679 340 1HB TYR 51 1HB TYR 51 -3.505 0.935 -6.348 341 2HB TYR 51 2HB TYR 51 -4.942 -0.043 -6.152 342 HD1 TYR 51 HD1 TYR 51 -6.985 0.942 -5.065 343 HD2 TYR 51 HD2 TYR 51 -3.581 3.322 -6.136 344 HE1 TYR 51 HE1 TYR 51 -8.334 2.982 -4.912 345 HE2 TYR 51 HE2 TYR 51 -4.970 5.353 -6.037 346 HH TYR 51 HH TYR 51 -6.980 6.175 -5.779 347 H VAL 52 H VAL 52 -4.088 -1.449 -2.652 348 HA VAL 52 HA VAL 52 -1.853 -3.031 -3.544 349 HB VAL 52 HB VAL 52 -4.143 -3.798 -1.709 350 1HG1 VAL 52 1HG1 VAL 52 -2.189 -5.371 -2.454 351 2HG1 VAL 52 2HG1 VAL 52 -1.268 -4.456 -1.260 352 3HG1 VAL 52 3HG1 VAL 52 -2.712 -5.343 -0.769 353 1HG2 VAL 52 1HG2 VAL 52 -3.329 -1.546 -1.081 354 2HG2 VAL 52 2HG2 VAL 52 -2.948 -2.762 0.139 355 3HG2 VAL 52 3HG2 VAL 52 -1.689 -2.193 -0.960 356 H ASN 53 H ASN 53 -1.928 -4.683 -5.068 357 HA ASN 53 HA ASN 53 -4.040 -5.151 -6.816 358 1HB ASN 53 1HB ASN 53 -1.976 -6.096 -7.331 359 2HB ASN 53 2HB ASN 53 -1.782 -6.812 -5.732 360 1HD2 ASN 53 2HD2 ASN 53 -1.379 -8.925 -6.785 361 2HD2 ASN 53 1HD2 ASN 53 -2.670 -9.823 -7.425 362 H GLU 54 H GLU 54 -5.796 -6.657 -6.849 363 HA GLU 54 HA GLU 54 -7.262 -6.991 -4.451 364 1HB GLU 54 1HB GLU 54 -8.555 -8.627 -5.948 365 2HB GLU 54 2HB GLU 54 -8.354 -6.987 -6.565 366 1HG GLU 54 1HG GLU 54 -6.799 -7.628 -8.163 367 2HG GLU 54 2HG GLU 54 -6.271 -9.033 -7.235 368 H ALA 55 H ALA 55 -4.525 -8.797 -5.446 369 HA ALA 55 HA ALA 55 -5.451 -11.245 -4.030 370 1HB ALA 55 1HB ALA 55 -3.840 -10.693 -6.268 371 2HB ALA 55 2HB ALA 55 -2.712 -11.254 -5.033 372 3HB ALA 55 3HB ALA 55 -4.072 -12.269 -5.512 373 H PHE 56 H PHE 56 -4.293 -8.428 -2.991 374 HA PHE 56 HA PHE 56 -2.821 -9.722 -0.738 375 1HB PHE 56 1HB PHE 56 -1.927 -7.389 -2.448 376 2HB PHE 56 2HB PHE 56 -1.143 -7.851 -0.931 377 HD1 PHE 56 HD1 PHE 56 -1.965 -8.932 -4.360 378 HD2 PHE 56 HD2 PHE 56 0.244 -9.830 -0.780 379 HE1 PHE 56 HE1 PHE 56 -0.753 -10.727 -5.559 380 HE2 PHE 56 HE2 PHE 56 1.386 -11.668 -1.942 381 HZ PHE 56 HZ PHE 56 0.922 -12.094 -4.367 382 H THR 57 H THR 57 -5.342 -7.864 -1.678 383 HA THR 57 HA THR 57 -5.182 -5.897 0.542 384 HB THR 57 HB THR 57 -7.161 -4.981 -0.517 385 HG1 THR 57 HG1 THR 57 -8.536 -6.322 -1.316 386 1HG2 THR 57 1HG2 THR 57 -4.778 -5.542 -1.964 387 2HG2 THR 57 2HG2 THR 57 -6.129 -5.702 -3.088 388 3HG2 THR 57 3HG2 THR 57 -5.896 -4.198 -2.194 389 H ASP 58 H ASP 58 -7.016 -8.731 -0.546 390 HA ASP 58 HA ASP 58 -8.552 -8.832 1.969 391 1HB ASP 58 1HB ASP 58 -10.103 -9.517 0.455 392 2HB ASP 58 2HB ASP 58 -8.874 -9.514 -0.809 393 H LYS 59 H LYS 59 -5.636 -9.898 0.949 394 HA LYS 59 HA LYS 59 -5.691 -12.549 2.311 395 1HB LYS 59 1HB LYS 59 -3.370 -11.154 1.035 396 2HB LYS 59 2HB LYS 59 -3.718 -12.888 1.096 397 1HG LYS 59 1HG LYS 59 -5.911 -11.828 -0.262 398 2HG LYS 59 2HG LYS 59 -4.550 -10.905 -0.902 399 1HD LYS 59 1HD LYS 59 -4.894 -12.946 -2.231 400 2HD LYS 59 2HD LYS 59 -3.363 -13.052 -1.361 401 1HE LYS 59 1HE LYS 59 -4.102 -14.759 -0.010 402 2HE LYS 59 2HE LYS 59 -5.755 -14.117 0.064 403 1HZ LYS 59 1HZ LYS 59 -4.509 -15.360 -2.333 404 2HZ LYS 59 2HZ LYS 59 -5.623 -16.129 -1.311 405 3HZ LYS 59 3HZ LYS 59 -6.102 -14.776 -2.220 406 H VAL 60 H VAL 60 -4.015 -9.522 2.146 407 HA VAL 60 HA VAL 60 -2.515 -9.803 4.602 408 HB VAL 60 HB VAL 60 -2.725 -8.308 2.181 409 1HG1 VAL 60 1HG1 VAL 60 -3.367 -6.632 4.394 410 2HG1 VAL 60 2HG1 VAL 60 -1.788 -6.193 3.766 411 3HG1 VAL 60 3HG1 VAL 60 -3.197 -6.210 2.693 412 1HG2 VAL 60 1HG2 VAL 60 -0.765 -9.068 4.139 413 2HG2 VAL 60 2HG2 VAL 60 -0.701 -9.062 2.374 414 3HG2 VAL 60 3HG2 VAL 60 -0.385 -7.573 3.277 415 HA PRO 61 HA PRO 61 -5.535 -8.173 7.292 416 1HB PRO 61 1HB PRO 61 -4.496 -5.997 8.599 417 2HB PRO 61 2HB PRO 61 -4.038 -7.676 8.937 418 1HG PRO 61 1HG PRO 61 -2.590 -5.591 7.437 419 2HG PRO 61 2HG PRO 61 -1.976 -6.941 8.397 420 1HD PRO 61 1HD PRO 61 -2.082 -6.854 5.636 421 2HD PRO 61 2HD PRO 61 -1.910 -8.326 6.573 422 H ALA 62 H ALA 62 -7.283 -7.427 6.537 423 HA ALA 62 HA ALA 62 -7.617 -5.215 4.740 424 1HB ALA 62 1HB ALA 62 -8.997 -7.506 5.740 425 2HB ALA 62 2HB ALA 62 -10.045 -6.099 5.941 426 3HB ALA 62 3HB ALA 62 -9.416 -6.510 4.344 427 H ALA 63 H ALA 63 -6.508 -3.812 6.425 428 HA ALA 63 HA ALA 63 -7.334 -2.911 8.863 429 1HB ALA 63 1HB ALA 63 -5.561 -1.943 7.371 430 2HB ALA 63 2HB ALA 63 -6.829 -1.103 6.479 431 3HB ALA 63 3HB ALA 63 -6.535 -0.711 8.173 432 H ASN 64 H ASN 64 -8.872 -1.222 9.583 433 HA ASN 64 HA ASN 64 -11.404 -1.329 7.996 434 1HB ASN 64 1HB ASN 64 -11.806 -0.286 10.632 435 2HB ASN 64 2HB ASN 64 -12.330 -1.834 9.984 436 1HD2 ASN 64 2HD2 ASN 64 -9.471 -0.267 11.531 437 2HD2 ASN 64 1HD2 ASN 64 -8.902 -1.693 12.254 438 H GLU 65 H GLU 65 -12.632 0.812 9.457 439 HA GLU 65 HA GLU 65 -12.610 2.997 7.910 440 1HB GLU 65 1HB GLU 65 -12.895 4.317 10.102 441 2HB GLU 65 2HB GLU 65 -13.956 2.928 9.869 442 1HG GLU 65 1HG GLU 65 -12.507 1.535 11.250 443 2HG GLU 65 2HG GLU 65 -11.347 2.855 11.411 444 H ARG 66 H ARG 66 -9.902 2.213 10.093 445 HA ARG 66 HA ARG 66 -8.517 4.677 10.057 446 1HB ARG 66 1HB ARG 66 -8.018 1.874 10.567 447 2HB ARG 66 2HB ARG 66 -6.648 2.561 9.694 448 1HG ARG 66 1HG ARG 66 -6.781 4.504 11.387 449 2HG ARG 66 2HG ARG 66 -7.807 3.433 12.341 450 1HD ARG 66 1HD ARG 66 -5.242 2.288 11.318 451 2HD ARG 66 2HD ARG 66 -5.145 3.444 12.661 452 HE ARG 66 HE ARG 66 -6.959 1.971 13.756 453 1HH1 ARG 66 1HH1 ARG 66 -4.136 0.968 12.160 454 2HH1 ARG 66 2HH1 ARG 66 -4.414 -0.726 12.397 455 1HH2 ARG 66 1HH2 ARG 66 -7.573 -0.286 13.759 456 2HH2 ARG 66 2HH2 ARG 66 -6.361 -1.435 13.302 457 H GLU 67 H GLU 67 -7.633 1.951 7.930 458 HA GLU 67 HA GLU 67 -6.395 3.545 5.919 459 1HB GLU 67 1HB GLU 67 -6.083 1.111 6.311 460 2HB GLU 67 2HB GLU 67 -7.742 0.832 5.781 461 1HG GLU 67 1HG GLU 67 -6.345 2.450 3.848 462 2HG GLU 67 2HG GLU 67 -5.444 0.970 4.165 463 H ILE 68 H ILE 68 -9.644 2.073 6.076 464 HA ILE 68 HA ILE 68 -10.646 2.986 3.611 465 HB ILE 68 HB ILE 68 -11.721 2.194 6.277 466 1HG1 ILE 68 1HG1 ILE 68 -13.058 0.739 4.542 467 2HG1 ILE 68 2HG1 ILE 68 -11.816 1.299 3.413 468 1HG2 ILE 68 1HG2 ILE 68 -13.335 3.607 4.140 469 2HG2 ILE 68 2HG2 ILE 68 -14.069 2.530 5.329 470 3HG2 ILE 68 3HG2 ILE 68 -13.244 3.996 5.858 471 1HD1 ILE 68 1HD1 ILE 68 -11.205 0.001 6.086 472 2HD1 ILE 68 2HD1 ILE 68 -11.254 -0.879 4.557 473 3HD1 ILE 68 3HD1 ILE 68 -10.057 0.393 4.805 474 H GLY 69 H GLY 69 -9.804 4.852 6.407 475 1HA GLY 69 1HA GLY 69 -11.546 7.110 5.617 476 2HA GLY 69 2HA GLY 69 -10.462 7.087 7.008 477 H MET 70 H MET 70 -8.068 7.122 6.478 478 HA MET 70 HA MET 70 -7.252 9.290 4.940 479 1HB MET 70 1HB MET 70 -5.066 7.888 4.732 480 2HB MET 70 2HB MET 70 -5.659 8.241 6.352 481 1HG MET 70 1HG MET 70 -6.968 5.870 5.685 482 2HG MET 70 2HG MET 70 -5.361 5.664 5.011 483 1HE MET 70 1HE MET 70 -4.599 4.079 5.970 484 2HE MET 70 2HE MET 70 -3.565 4.206 7.398 485 3HE MET 70 3HE MET 70 -5.186 3.491 7.528 486 H LEU 71 H LEU 71 -7.778 5.948 3.892 487 HA LEU 71 HA LEU 71 -7.007 6.246 1.121 488 1HB LEU 71 1HB LEU 71 -7.313 4.145 2.484 489 2HB LEU 71 2HB LEU 71 -9.034 4.461 2.457 490 HG LEU 71 HG LEU 71 -7.763 2.908 0.647 491 1HD1 LEU 71 1HD1 LEU 71 -10.304 4.495 0.637 492 2HD1 LEU 71 2HD1 LEU 71 -9.875 3.562 -0.797 493 3HD1 LEU 71 3HD1 LEU 71 -10.086 2.747 0.759 494 1HD2 LEU 71 1HD2 LEU 71 -8.038 5.662 -0.533 495 2HD2 LEU 71 2HD2 LEU 71 -6.562 4.721 -0.407 496 3HD2 LEU 71 3HD2 LEU 71 -7.843 4.203 -1.516 497 H GLU 72 H GLU 72 -10.196 6.290 2.764 498 HA GLU 72 HA GLU 72 -11.778 7.014 0.512 499 1HB GLU 72 1HB GLU 72 -12.929 6.344 2.448 500 2HB GLU 72 2HB GLU 72 -11.893 7.301 3.505 501 1HG GLU 72 1HG GLU 72 -13.279 9.057 3.416 502 2HG GLU 72 2HG GLU 72 -13.342 9.004 1.652 503 H CYS 73 H CYS 73 -9.527 8.816 2.462 504 HA CYS 73 HA CYS 73 -10.501 11.480 1.787 505 1HB CYS 73 1HB CYS 73 -8.610 10.198 3.507 506 2HB CYS 73 2HB CYS 73 -7.751 11.426 2.576 507 HG CYS 73 HG CYS 73 -8.922 13.196 3.855 508 H VAL 74 H VAL 74 -7.816 9.406 0.658 509 HA VAL 74 HA VAL 74 -6.368 10.993 -1.052 510 HB VAL 74 HB VAL 74 -6.001 9.008 -2.363 511 1HG1 VAL 74 1HG1 VAL 74 -5.480 9.012 0.195 512 2HG1 VAL 74 2HG1 VAL 74 -6.833 7.888 0.306 513 3HG1 VAL 74 3HG1 VAL 74 -5.426 7.477 -0.670 514 1HG2 VAL 74 1HG2 VAL 74 -8.815 8.667 -1.727 515 2HG2 VAL 74 2HG2 VAL 74 -7.887 8.005 -3.075 516 3HG2 VAL 74 3HG2 VAL 74 -7.895 7.167 -1.521 517 H THR 75 H THR 75 -6.605 11.462 -3.405 518 HA THR 75 HA THR 75 -9.462 11.846 -4.214 519 HB THR 75 HB THR 75 -6.938 13.488 -4.581 520 HG1 THR 75 HG1 THR 75 -9.383 14.396 -3.562 521 1HG2 THR 75 1HG2 THR 75 -9.483 13.466 -6.082 522 2HG2 THR 75 2HG2 THR 75 -8.899 15.054 -5.581 523 3HG2 THR 75 3HG2 THR 75 -7.880 14.013 -6.577 524 H ALA 76 H ALA 76 -7.602 9.532 -4.762 525 HA ALA 76 HA ALA 76 -7.248 9.945 -7.704 526 1HB ALA 76 1HB ALA 76 -5.578 9.043 -5.595 527 2HB ALA 76 2HB ALA 76 -5.867 7.660 -6.650 528 3HB ALA 76 3HB ALA 76 -5.187 9.149 -7.313 529 H GLU 77 H GLU 77 -6.914 7.457 -8.491 530 HA GLU 77 HA GLU 77 -9.424 6.446 -9.129 531 1HB GLU 77 1HB GLU 77 -7.923 5.631 -10.558 532 2HB GLU 77 2HB GLU 77 -6.626 5.972 -9.436 533 1HG GLU 77 1HG GLU 77 -6.813 3.787 -8.448 534 2HG GLU 77 2HG GLU 77 -8.338 3.484 -9.287 535 H LEU 78 H LEU 78 -10.112 6.529 -6.547 536 HA LEU 78 HA LEU 78 -9.130 4.438 -4.916 537 1HB LEU 78 1HB LEU 78 -10.768 6.430 -4.346 538 2HB LEU 78 2HB LEU 78 -11.976 5.139 -4.530 539 HG LEU 78 HG LEU 78 -9.863 3.911 -3.271 540 1HD1 LEU 78 1HD1 LEU 78 -9.947 6.708 -2.423 541 2HD1 LEU 78 2HD1 LEU 78 -9.775 5.473 -1.169 542 3HD1 LEU 78 3HD1 LEU 78 -8.609 5.548 -2.489 543 1HD2 LEU 78 1HD2 LEU 78 -12.562 4.276 -2.801 544 2HD2 LEU 78 2HD2 LEU 78 -11.457 3.159 -1.985 545 3HD2 LEU 78 3HD2 LEU 78 -11.754 4.776 -1.308 546 H LYS 79 H LYS 79 -9.963 2.487 -4.299 547 HA LYS 79 HA LYS 79 -11.429 1.002 -6.441 548 1HB LYS 79 1HB LYS 79 -8.796 1.004 -5.212 549 2HB LYS 79 2HB LYS 79 -9.545 -0.587 -5.103 550 1HG LYS 79 1HG LYS 79 -8.121 -0.048 -7.202 551 2HG LYS 79 2HG LYS 79 -9.686 -0.804 -7.442 552 1HD LYS 79 1HD LYS 79 -10.696 1.235 -8.114 553 2HD LYS 79 2HD LYS 79 -9.362 2.185 -7.461 554 1HE LYS 79 1HE LYS 79 -9.411 1.877 -10.022 555 2HE LYS 79 2HE LYS 79 -7.882 1.479 -9.214 556 1HZ LYS 79 1HZ LYS 79 -10.026 -0.526 -9.609 557 2HZ LYS 79 2HZ LYS 79 -8.813 -0.272 -10.772 558 3HZ LYS 79 3HZ LYS 79 -8.395 -0.796 -9.214 559 HA PRO 80 HA PRO 80 -13.503 -1.113 -3.109 560 1HB PRO 80 1HB PRO 80 -13.341 -3.731 -3.885 561 2HB PRO 80 2HB PRO 80 -14.409 -2.569 -4.697 562 1HG PRO 80 1HG PRO 80 -11.786 -3.657 -5.549 563 2HG PRO 80 2HG PRO 80 -13.188 -3.190 -6.524 564 1HD PRO 80 1HD PRO 80 -10.904 -1.669 -6.214 565 2HD PRO 80 2HD PRO 80 -12.490 -1.036 -6.707 566 H ASN 81 H ASN 81 -10.361 -2.145 -4.182 567 HA ASN 81 HA ASN 81 -9.691 -3.309 -1.514 568 1HB ASN 81 1HB ASN 81 -7.843 -4.356 -2.801 569 2HB ASN 81 2HB ASN 81 -9.413 -4.730 -3.509 570 1HD2 ASN 81 2HD2 ASN 81 -6.437 -4.122 -4.569 571 2HD2 ASN 81 1HD2 ASN 81 -6.753 -3.155 -5.927 572 H SER 82 H SER 82 -9.691 -0.337 -2.622 573 HA SER 82 HA SER 82 -7.146 0.817 -2.848 574 1HB SER 82 1HB SER 82 -9.773 1.521 -1.688 575 2HB SER 82 2HB SER 82 -8.403 2.507 -1.186 576 HG SER 82 HG SER 82 -8.197 3.243 -3.101 577 H ARG 83 H ARG 83 -5.571 1.504 -1.279 578 HA ARG 83 HA ARG 83 -5.973 0.802 1.545 579 1HB ARG 83 1HB ARG 83 -4.952 -1.093 -0.367 580 2HB ARG 83 2HB ARG 83 -3.697 -0.721 0.816 581 1HG ARG 83 1HG ARG 83 -6.525 -1.368 1.654 582 2HG ARG 83 2HG ARG 83 -5.325 -2.634 1.394 583 1HD ARG 83 1HD ARG 83 -3.947 -0.817 2.975 584 2HD ARG 83 2HD ARG 83 -5.588 -0.778 3.645 585 HE ARG 83 HE ARG 83 -3.835 -2.932 4.052 586 1HH1 ARG 83 1HH1 ARG 83 -7.106 -2.173 3.604 587 2HH1 ARG 83 2HH1 ARG 83 -7.646 -3.816 3.578 588 1HH2 ARG 83 1HH2 ARG 83 -4.469 -5.163 3.655 589 2HH2 ARG 83 2HH2 ARG 83 -6.163 -5.503 3.611 590 H LEU 84 H LEU 84 -4.462 1.779 2.838 591 HA LEU 84 HA LEU 84 -2.504 3.567 1.509 592 1HB LEU 84 1HB LEU 84 -3.660 3.396 4.316 593 2HB LEU 84 2HB LEU 84 -2.481 4.600 3.814 594 HG LEU 84 HG LEU 84 -5.351 4.635 3.491 595 1HD1 LEU 84 1HD1 LEU 84 -3.682 6.449 4.202 596 2HD1 LEU 84 2HD1 LEU 84 -3.359 6.666 2.482 597 3HD1 LEU 84 3HD1 LEU 84 -4.979 6.948 3.116 598 1HD2 LEU 84 1HD2 LEU 84 -3.739 4.726 0.925 599 2HD2 LEU 84 2HD2 LEU 84 -5.153 3.734 1.275 600 3HD2 LEU 84 3HD2 LEU 84 -5.322 5.476 1.086 601 H CYS 85 H CYS 85 -0.647 2.513 1.206 602 HA CYS 85 HA CYS 85 0.453 0.238 1.984 603 1HB CYS 85 1HB CYS 85 1.396 2.245 0.723 604 2HB CYS 85 2HB CYS 85 2.036 2.779 2.274 605 HG CYS 85 HG CYS 85 2.744 -0.123 1.589 606 H CYS 86 H CYS 86 0.164 2.940 4.315 607 HA CYS 86 HA CYS 86 1.796 1.646 6.338 608 1HB CYS 86 1HB CYS 86 0.952 3.430 7.758 609 2HB CYS 86 2HB CYS 86 1.295 4.090 6.162 610 H GLN 87 H GLN 87 -1.106 0.661 5.076 611 HA GLN 87 HA GLN 87 -1.923 -0.592 7.676 612 1HB GLN 87 1HB GLN 87 -3.494 0.629 5.405 613 2HB GLN 87 2HB GLN 87 -4.244 -0.517 6.517 614 1HG GLN 87 1HG GLN 87 -2.952 2.132 7.223 615 2HG GLN 87 2HG GLN 87 -4.658 1.708 7.366 616 1HE2 GLN 87 2HE2 GLN 87 -1.525 1.439 8.910 617 2HE2 GLN 87 1HE2 GLN 87 -2.062 0.616 10.294 618 H ILE 88 H ILE 88 -0.216 -1.480 5.213 619 HA ILE 88 HA ILE 88 -1.786 -3.972 4.613 620 HB ILE 88 HB ILE 88 0.058 -2.219 2.983 621 1HG1 ILE 88 1HG1 ILE 88 -2.479 -1.958 3.052 622 2HG1 ILE 88 2HG1 ILE 88 -1.768 -2.169 1.451 623 1HG2 ILE 88 1HG2 ILE 88 -0.684 -5.104 2.430 624 2HG2 ILE 88 2HG2 ILE 88 0.027 -4.011 1.242 625 3HG2 ILE 88 3HG2 ILE 88 0.941 -4.466 2.681 626 1HD1 ILE 88 1HD1 ILE 88 -2.899 -4.425 3.113 627 2HD1 ILE 88 2HD1 ILE 88 -3.795 -3.598 1.841 628 3HD1 ILE 88 3HD1 ILE 88 -2.346 -4.523 1.442 629 H ILE 89 H ILE 89 -0.853 -5.373 6.210 630 HA ILE 89 HA ILE 89 2.053 -5.394 6.643 631 HB ILE 89 HB ILE 89 -0.368 -6.753 7.738 632 1HG1 ILE 89 1HG1 ILE 89 0.243 -5.726 9.722 633 2HG1 ILE 89 2HG1 ILE 89 1.965 -5.849 9.372 634 1HG2 ILE 89 1HG2 ILE 89 2.283 -8.026 7.495 635 2HG2 ILE 89 2HG2 ILE 89 1.655 -7.982 9.143 636 3HG2 ILE 89 3HG2 ILE 89 0.717 -8.749 7.863 637 1HD1 ILE 89 1HD1 ILE 89 0.113 -3.997 7.852 638 2HD1 ILE 89 2HD1 ILE 89 1.002 -3.493 9.290 639 3HD1 ILE 89 3HD1 ILE 89 1.877 -4.003 7.845 640 H MET 90 H MET 90 3.452 -6.658 5.552 641 HA MET 90 HA MET 90 2.495 -8.390 3.416 642 1HB MET 90 1HB MET 90 4.626 -6.732 3.872 643 2HB MET 90 2HB MET 90 5.342 -8.316 4.164 644 1HG MET 90 1HG MET 90 5.512 -7.603 1.792 645 2HG MET 90 2HG MET 90 4.611 -9.097 1.987 646 1HE MET 90 1HE MET 90 2.727 -9.589 1.795 647 2HE MET 90 2HE MET 90 1.225 -8.700 1.433 648 3HE MET 90 3HE MET 90 2.344 -9.162 0.137 649 H THR 91 H THR 91 2.150 -10.566 3.681 650 HA THR 91 HA THR 91 3.496 -11.817 6.074 651 HB THR 91 HB THR 91 1.555 -13.483 5.665 652 HG1 THR 91 HG1 THR 91 -0.258 -12.102 4.814 653 1HG2 THR 91 1HG2 THR 91 1.783 -11.035 7.110 654 2HG2 THR 91 2HG2 THR 91 0.105 -11.296 6.633 655 3HG2 THR 91 3HG2 THR 91 0.960 -12.528 7.558 656 HA PRO 92 HA PRO 92 5.657 -14.632 3.608 657 1HB PRO 92 1HB PRO 92 5.265 -16.956 5.007 658 2HB PRO 92 2HB PRO 92 6.371 -15.685 5.549 659 1HG PRO 92 1HG PRO 92 3.565 -16.254 6.399 660 2HG PRO 92 2HG PRO 92 4.978 -15.830 7.386 661 1HD PRO 92 1HD PRO 92 3.123 -14.005 6.755 662 2HD PRO 92 2HD PRO 92 4.849 -13.585 6.842 663 H GLU 93 H GLU 93 2.300 -14.860 4.235 664 HA GLU 93 HA GLU 93 1.837 -17.092 2.354 665 1HB GLU 93 1HB GLU 93 -0.600 -16.116 2.693 666 2HB GLU 93 2HB GLU 93 0.154 -17.088 3.952 667 1HG GLU 93 1HG GLU 93 0.787 -15.136 5.169 668 2HG GLU 93 2HG GLU 93 0.334 -14.086 3.829 669 H LEU 94 H LEU 94 1.540 -13.633 2.537 670 HA LEU 94 HA LEU 94 0.603 -13.365 -0.223 671 1HB LEU 94 1HB LEU 94 1.136 -11.536 2.115 672 2HB LEU 94 2HB LEU 94 0.641 -10.920 0.553 673 HG LEU 94 HG LEU 94 -0.836 -13.155 1.906 674 1HD1 LEU 94 1HD1 LEU 94 -0.713 -10.777 3.109 675 2HD1 LEU 94 2HD1 LEU 94 -1.902 -10.369 1.869 676 3HD1 LEU 94 3HD1 LEU 94 -2.222 -11.680 3.008 677 1HD2 LEU 94 1HD2 LEU 94 -0.764 -12.301 -0.623 678 2HD2 LEU 94 2HD2 LEU 94 -2.231 -12.946 0.127 679 3HD2 LEU 94 3HD2 LEU 94 -1.981 -11.204 0.014 680 H ASP 95 H ASP 95 3.360 -14.398 0.282 681 HA ASP 95 HA ASP 95 5.241 -12.321 -0.269 682 1HB ASP 95 1HB ASP 95 6.663 -14.257 -0.979 683 2HB ASP 95 2HB ASP 95 5.841 -14.568 0.550 684 H GLY 96 H GLY 96 4.863 -10.984 -2.058 685 1HA GLY 96 1HA GLY 96 5.370 -11.065 -4.561 686 2HA GLY 96 2HA GLY 96 4.170 -12.353 -4.639 687 H ILE 97 H ILE 97 3.587 -9.727 -2.504 688 HA ILE 97 HA ILE 97 1.077 -9.016 -3.524 689 HB ILE 97 HB ILE 97 1.520 -8.423 -1.292 690 1HG1 ILE 97 1HG1 ILE 97 1.389 -6.059 -1.100 691 2HG1 ILE 97 2HG1 ILE 97 2.257 -5.814 -2.619 692 1HG2 ILE 97 1HG2 ILE 97 4.190 -8.018 -2.354 693 2HG2 ILE 97 2HG2 ILE 97 3.749 -6.783 -1.174 694 3HG2 ILE 97 3HG2 ILE 97 3.685 -8.498 -0.744 695 1HD1 ILE 97 1HD1 ILE 97 0.091 -7.469 -3.217 696 2HD1 ILE 97 2HD1 ILE 97 -0.554 -6.207 -2.184 697 3HD1 ILE 97 3HD1 ILE 97 0.287 -5.784 -3.674 698 H VAL 98 H VAL 98 0.397 -7.501 -4.945 699 HA VAL 98 HA VAL 98 2.480 -5.975 -6.450 700 HB VAL 98 HB VAL 98 -0.306 -6.629 -7.391 701 1HG1 VAL 98 1HG1 VAL 98 2.385 -6.202 -8.706 702 2HG1 VAL 98 2HG1 VAL 98 0.972 -6.782 -9.588 703 3HG1 VAL 98 3HG1 VAL 98 0.949 -5.187 -8.837 704 1HG2 VAL 98 1HG2 VAL 98 2.076 -8.518 -7.464 705 2HG2 VAL 98 2HG2 VAL 98 0.577 -8.786 -6.569 706 3HG2 VAL 98 3HG2 VAL 98 0.566 -8.774 -8.337 707 H VAL 99 H VAL 99 2.385 -3.851 -5.604 708 HA VAL 99 HA VAL 99 -0.272 -2.864 -4.640 709 HB VAL 99 HB VAL 99 2.129 -1.143 -4.400 710 1HG1 VAL 99 1HG1 VAL 99 -0.304 -1.956 -2.965 711 2HG1 VAL 99 2HG1 VAL 99 1.091 -1.700 -1.913 712 3HG1 VAL 99 3HG1 VAL 99 0.534 -0.401 -2.968 713 1HG2 VAL 99 1HG2 VAL 99 2.017 -3.881 -3.092 714 2HG2 VAL 99 2HG2 VAL 99 3.307 -3.238 -4.110 715 3HG2 VAL 99 3HG2 VAL 99 3.027 -2.557 -2.505 716 H ASP 100 H ASP 100 -1.046 -0.803 -5.361 717 HA ASP 100 HA ASP 100 0.045 0.006 -8.032 718 1HB ASP 100 1HB ASP 100 -2.546 -0.878 -7.102 719 2HB ASP 100 2HB ASP 100 -2.656 0.681 -7.914 720 H VAL 101 H VAL 101 0.783 2.020 -8.020 721 HA VAL 101 HA VAL 101 -0.087 3.851 -5.848 722 HB VAL 101 HB VAL 101 2.249 3.758 -7.767 723 1HG1 VAL 101 1HG1 VAL 101 1.484 6.093 -7.239 724 2HG1 VAL 101 2HG1 VAL 101 1.770 5.741 -5.537 725 3HG1 VAL 101 3HG1 VAL 101 3.114 5.725 -6.679 726 1HG2 VAL 101 1HG2 VAL 101 2.174 2.153 -5.829 727 2HG2 VAL 101 2HG2 VAL 101 3.541 3.267 -5.778 728 3HG2 VAL 101 3HG2 VAL 101 2.137 3.546 -4.746 729 HA PRO 102 HA PRO 102 -2.511 5.898 -9.006 730 1HB PRO 102 1HB PRO 102 -3.607 7.743 -7.321 731 2HB PRO 102 2HB PRO 102 -4.138 6.056 -7.380 732 1HG PRO 102 1HG PRO 102 -2.354 7.394 -5.423 733 2HG PRO 102 2HG PRO 102 -3.593 6.159 -5.162 734 1HD PRO 102 1HD PRO 102 -0.924 5.625 -5.246 735 2HD PRO 102 2HD PRO 102 -2.189 4.449 -5.656 736 H ASP 103 H ASP 103 -2.820 8.264 -9.646 737 HA ASP 103 HA ASP 103 -0.202 9.653 -9.609 738 1HB ASP 103 1HB ASP 103 -2.386 9.264 -11.405 739 2HB ASP 103 2HB ASP 103 -2.283 10.994 -11.074 740 H ARG 104 H ARG 104 -3.311 9.793 -8.100 741 HA ARG 104 HA ARG 104 -2.794 12.573 -7.115 742 1HB ARG 104 1HB ARG 104 -5.400 11.124 -6.747 743 2HB ARG 104 2HB ARG 104 -5.118 12.840 -7.004 744 1HG ARG 104 1HG ARG 104 -4.318 11.219 -9.316 745 2HG ARG 104 2HG ARG 104 -6.021 11.041 -8.910 746 1HD ARG 104 1HD ARG 104 -5.569 12.945 -10.496 747 2HD ARG 104 2HD ARG 104 -6.322 13.474 -8.977 748 HE ARG 104 HE ARG 104 -3.624 13.554 -8.414 749 1HH1 ARG 104 1HH1 ARG 104 -3.254 14.059 -11.361 750 2HH1 ARG 104 2HH1 ARG 104 -3.319 15.788 -11.436 751 1HH2 ARG 104 1HH2 ARG 104 -4.741 16.136 -8.293 752 2HH2 ARG 104 2HH2 ARG 104 -4.161 16.963 -9.699 753 H GLN 105 H GLN 105 -1.194 11.322 -5.676 754 HA GLN 105 HA GLN 105 -2.548 9.687 -3.625 755 1HB GLN 105 1HB GLN 105 0.398 10.324 -3.962 756 2HB GLN 105 2HB GLN 105 -0.309 8.967 -3.087 757 1HG GLN 105 1HG GLN 105 -0.450 7.733 -4.965 758 2HG GLN 105 2HG GLN 105 -1.253 9.040 -5.835 759 1HE2 GLN 105 2HE2 GLN 105 0.090 10.529 -7.071 760 2HE2 GLN 105 1HE2 GLN 105 1.723 10.195 -7.394 761 H TRP 106 H TRP 106 -3.401 12.222 -3.253 762 HA TRP 106 HA TRP 106 -1.659 13.917 -1.663 763 1HB TRP 106 1HB TRP 106 -3.498 15.335 -1.682 764 2HB TRP 106 2HB TRP 106 -3.912 14.308 -3.058 765 HD1 TRP 106 HD1 TRP 106 -6.179 13.073 -2.889 766 HE1 TRP 106 HE1 TRP 106 -7.878 12.627 -0.980 767 HE3 TRP 106 HE3 TRP 106 -3.563 15.004 0.981 768 HZ2 TRP 106 HZ2 TRP 106 -8.075 13.110 1.858 769 HZ3 TRP 106 HZ3 TRP 106 -4.493 15.032 3.267 770 HH2 TRP 106 HH2 TRP 106 -6.748 14.084 3.724 Start of MODEL 4 1 3H SER 1 3H SER 1 9.057 -12.488 2.328 2 1H SER 1 1H SER 1 8.364 -11.056 2.912 3 2H SER 1 2H SER 1 7.781 -12.552 3.443 4 HA SER 1 HA SER 1 7.072 -13.032 1.082 5 1HB SER 1 1HB SER 1 5.078 -12.193 1.791 6 2HB SER 1 2HB SER 1 5.931 -11.496 3.143 7 HG SER 1 HG SER 1 5.161 -10.364 0.734 8 H LYS 2 H LYS 2 6.900 -12.174 -1.036 9 HA LYS 2 HA LYS 2 8.843 -10.136 -1.797 10 1HB LYS 2 1HB LYS 2 6.772 -11.890 -3.112 11 2HB LYS 2 2HB LYS 2 7.557 -10.622 -4.041 12 1HG LYS 2 1HG LYS 2 9.607 -11.881 -2.621 13 2HG LYS 2 2HG LYS 2 8.569 -13.182 -3.229 14 1HD LYS 2 1HD LYS 2 8.919 -11.201 -5.284 15 2HD LYS 2 2HD LYS 2 10.501 -11.712 -4.697 16 1HE LYS 2 1HE LYS 2 8.540 -13.903 -5.092 17 2HE LYS 2 2HE LYS 2 9.126 -13.094 -6.562 18 1HZ LYS 2 1HZ LYS 2 11.115 -13.672 -4.483 19 2HZ LYS 2 2HZ LYS 2 10.521 -14.998 -5.377 20 3HZ LYS 2 3HZ LYS 2 11.247 -13.712 -6.164 21 H VAL 3 H VAL 3 8.298 -8.085 -2.668 22 HA VAL 3 HA VAL 3 5.484 -7.233 -2.512 23 HB VAL 3 HB VAL 3 7.927 -6.111 -1.207 24 1HG1 VAL 3 1HG1 VAL 3 6.446 -4.333 -2.436 25 2HG1 VAL 3 2HG1 VAL 3 5.181 -4.755 -1.225 26 3HG1 VAL 3 3HG1 VAL 3 6.764 -4.105 -0.696 27 1HG2 VAL 3 1HG2 VAL 3 5.464 -7.561 -0.533 28 2HG2 VAL 3 2HG2 VAL 3 7.009 -7.581 0.276 29 3HG2 VAL 3 3HG2 VAL 3 5.879 -6.266 0.580 30 H VAL 4 H VAL 4 4.907 -5.962 -4.173 31 HA VAL 4 HA VAL 4 7.111 -4.582 -5.664 32 HB VAL 4 HB VAL 4 4.994 -6.315 -6.922 33 1HG1 VAL 4 1HG1 VAL 4 6.222 -4.291 -8.135 34 2HG1 VAL 4 2HG1 VAL 4 7.450 -5.538 -8.391 35 3HG1 VAL 4 3HG1 VAL 4 5.791 -5.770 -8.991 36 1HG2 VAL 4 1HG2 VAL 4 6.668 -7.605 -5.622 37 2HG2 VAL 4 2HG2 VAL 4 6.733 -7.964 -7.338 38 3HG2 VAL 4 3HG2 VAL 4 7.934 -6.881 -6.607 39 H TYR 5 H TYR 5 6.217 -2.557 -4.919 40 HA TYR 5 HA TYR 5 3.466 -1.782 -5.144 41 1HB TYR 5 1HB TYR 5 6.018 -0.118 -5.143 42 2HB TYR 5 2HB TYR 5 4.439 0.452 -4.690 43 HD1 TYR 5 HD1 TYR 5 7.189 -1.936 -3.728 44 HD2 TYR 5 HD2 TYR 5 3.632 0.197 -2.515 45 HE1 TYR 5 HE1 TYR 5 7.646 -2.506 -1.435 46 HE2 TYR 5 HE2 TYR 5 4.163 -0.427 -0.168 47 HH TYR 5 HH TYR 5 6.548 -2.783 0.599 48 H VAL 6 H VAL 6 2.457 -0.921 -7.035 49 HA VAL 6 HA VAL 6 4.181 -0.763 -9.449 50 HB VAL 6 HB VAL 6 1.202 -0.788 -9.001 51 1HG1 VAL 6 1HG1 VAL 6 1.905 0.373 -11.057 52 2HG1 VAL 6 2HG1 VAL 6 2.767 -1.067 -11.570 53 3HG1 VAL 6 3HG1 VAL 6 1.021 -1.097 -11.418 54 1HG2 VAL 6 1HG2 VAL 6 2.445 -2.886 -8.420 55 2HG2 VAL 6 2HG2 VAL 6 1.270 -3.071 -9.744 56 3HG2 VAL 6 3HG2 VAL 6 2.992 -2.931 -10.133 57 H SER 7 H SER 7 3.743 1.212 -10.860 58 HA SER 7 HA SER 7 3.434 3.571 -9.101 59 1HB SER 7 1HB SER 7 4.540 4.707 -11.007 60 2HB SER 7 2HB SER 7 5.473 3.319 -10.459 61 HG SER 7 HG SER 7 4.543 3.789 -12.889 62 H HIS 8 H HIS 8 2.700 5.259 -11.443 63 HA HIS 8 HA HIS 8 -0.188 4.566 -11.520 64 1HB HIS 8 1HB HIS 8 0.659 6.953 -12.970 65 2HB HIS 8 2HB HIS 8 -0.478 6.819 -11.658 66 HD1 HIS 8 HD1 HIS 8 1.497 5.756 -9.480 67 HD2 HIS 8 HD2 HIS 8 2.318 8.942 -12.024 68 HE1 HIS 8 HE1 HIS 8 3.343 7.123 -8.363 69 H ASP 9 H ASP 9 2.662 4.799 -13.520 70 HA ASP 9 HA ASP 9 1.161 4.270 -15.988 71 1HB ASP 9 1HB ASP 9 3.160 4.876 -17.075 72 2HB ASP 9 2HB ASP 9 3.145 5.876 -15.640 73 H GLY 10 H GLY 10 2.218 2.400 -13.510 74 1HA GLY 10 1HA GLY 10 2.007 -0.059 -13.628 75 2HA GLY 10 2HA GLY 10 2.589 0.023 -15.314 76 H THR 11 H THR 11 4.650 2.110 -13.891 77 HA THR 11 HA THR 11 6.773 0.162 -13.810 78 HB THR 11 HB THR 11 6.442 3.001 -13.829 79 HG1 THR 11 HG1 THR 11 8.823 2.700 -14.276 80 1HG2 THR 11 1HG2 THR 11 8.114 1.879 -11.601 81 2HG2 THR 11 2HG2 THR 11 8.553 3.412 -12.377 82 3HG2 THR 11 3HG2 THR 11 6.988 3.246 -11.569 83 H ARG 12 H ARG 12 7.385 -0.980 -12.047 84 HA ARG 12 HA ARG 12 6.181 -0.262 -9.418 85 1HB ARG 12 1HB ARG 12 6.908 -3.073 -9.806 86 2HB ARG 12 2HB ARG 12 5.380 -2.390 -9.266 87 1HG ARG 12 1HG ARG 12 4.745 -3.359 -11.312 88 2HG ARG 12 2HG ARG 12 5.117 -1.709 -11.780 89 1HD ARG 12 1HD ARG 12 6.442 -2.705 -13.379 90 2HD ARG 12 2HD ARG 12 7.598 -2.844 -12.045 91 HE ARG 12 HE ARG 12 5.579 -4.989 -12.468 92 1HH1 ARG 12 1HH1 ARG 12 8.499 -4.130 -13.667 93 2HH1 ARG 12 2HH1 ARG 12 9.368 -5.556 -13.221 94 1HH2 ARG 12 1HH2 ARG 12 6.802 -6.792 -11.238 95 2HH2 ARG 12 2HH2 ARG 12 8.391 -7.058 -11.831 96 H ARG 13 H ARG 13 7.394 -1.871 -7.736 97 HA ARG 13 HA ARG 13 10.357 -1.621 -7.963 98 1HB ARG 13 1HB ARG 13 9.583 -1.230 -5.241 99 2HB ARG 13 2HB ARG 13 10.240 -0.002 -6.325 100 1HG ARG 13 1HG ARG 13 7.338 -0.672 -6.435 101 2HG ARG 13 2HG ARG 13 7.915 0.341 -5.134 102 1HD ARG 13 1HD ARG 13 8.514 0.924 -8.050 103 2HD ARG 13 2HD ARG 13 7.103 1.585 -7.214 104 HE ARG 13 HE ARG 13 9.637 1.934 -5.750 105 1HH1 ARG 13 1HH2 ARG 13 9.810 3.504 -8.357 106 2HH1 ARG 13 2HH2 ARG 13 9.150 5.034 -7.850 107 1HH2 ARG 13 1HH1 ARG 13 7.668 3.767 -5.007 108 2HH2 ARG 13 2HH1 ARG 13 7.959 5.185 -5.962 109 H GLU 14 H GLU 14 11.140 -3.054 -5.852 110 HA GLU 14 HA GLU 14 9.135 -5.161 -5.301 111 1HB GLU 14 1HB GLU 14 11.907 -6.004 -6.328 112 2HB GLU 14 2HB GLU 14 10.412 -6.943 -6.307 113 1HG GLU 14 1HG GLU 14 9.483 -5.292 -8.013 114 2HG GLU 14 2HG GLU 14 11.115 -4.600 -8.110 115 H LEU 15 H LEU 15 9.287 -4.992 -3.069 116 HA LEU 15 HA LEU 15 11.967 -4.847 -1.762 117 1HB LEU 15 1HB LEU 15 9.153 -4.818 -0.622 118 2HB LEU 15 2HB LEU 15 10.607 -4.297 0.201 119 HG LEU 15 HG LEU 15 9.101 -2.996 -1.975 120 1HD1 LEU 15 1HD1 LEU 15 9.312 -2.647 0.751 121 2HD1 LEU 15 2HD1 LEU 15 10.392 -1.407 0.113 122 3HD1 LEU 15 3HD1 LEU 15 8.711 -1.472 -0.363 123 1HD2 LEU 15 1HD2 LEU 15 11.991 -3.017 -1.668 124 2HD2 LEU 15 2HD2 LEU 15 11.004 -2.532 -3.024 125 3HD2 LEU 15 3HD2 LEU 15 11.294 -1.415 -1.710 126 H ASP 16 H ASP 16 11.122 -5.982 0.643 127 HA ASP 16 HA ASP 16 10.231 -8.763 0.108 128 1HB ASP 16 1HB ASP 16 12.911 -8.163 0.170 129 2HB ASP 16 2HB ASP 16 12.614 -8.457 1.867 130 H VAL 17 H VAL 17 8.490 -7.426 1.196 131 HA VAL 17 HA VAL 17 8.851 -6.651 4.018 132 HB VAL 17 HB VAL 17 6.366 -6.881 2.291 133 1HG1 VAL 17 1HG1 VAL 17 6.548 -6.188 4.878 134 2HG1 VAL 17 2HG1 VAL 17 6.698 -4.618 4.098 135 3HG1 VAL 17 3HG1 VAL 17 5.269 -5.626 3.818 136 1HG2 VAL 17 1HG2 VAL 17 8.687 -5.060 2.016 137 2HG2 VAL 17 2HG2 VAL 17 7.410 -5.415 0.861 138 3HG2 VAL 17 3HG2 VAL 17 7.130 -4.242 2.126 139 H ALA 18 H ALA 18 8.723 -8.141 5.547 140 HA ALA 18 HA ALA 18 7.634 -10.844 5.042 141 1HB ALA 18 1HB ALA 18 9.565 -9.532 6.720 142 2HB ALA 18 2HB ALA 18 8.445 -10.452 7.715 143 3HB ALA 18 3HB ALA 18 9.353 -11.256 6.432 144 H ASP 19 H ASP 19 6.686 -11.688 7.289 145 HA ASP 19 HA ASP 19 4.054 -10.503 7.595 146 1HB ASP 19 1HB ASP 19 4.510 -12.107 9.814 147 2HB ASP 19 2HB ASP 19 3.805 -12.682 8.310 148 H GLY 20 H GLY 20 3.819 -8.669 8.670 149 1HA GLY 20 1HA GLY 20 3.923 -7.599 10.928 150 2HA GLY 20 2HA GLY 20 5.579 -8.199 11.015 151 H VAL 21 H VAL 21 5.759 -7.400 7.945 152 HA VAL 21 HA VAL 21 6.537 -4.630 8.687 153 HB VAL 21 HB VAL 21 7.126 -6.431 6.316 154 1HG1 VAL 21 1HG1 VAL 21 6.773 -3.954 5.762 155 2HG1 VAL 21 2HG1 VAL 21 8.265 -3.664 6.661 156 3HG1 VAL 21 3HG1 VAL 21 8.270 -4.722 5.234 157 1HG2 VAL 21 1HG2 VAL 21 8.399 -6.682 8.497 158 2HG2 VAL 21 2HG2 VAL 21 9.366 -6.357 7.043 159 3HG2 VAL 21 3HG2 VAL 21 9.021 -5.055 8.190 160 H SER 22 H SER 22 5.620 -2.911 7.619 161 HA SER 22 HA SER 22 3.118 -3.481 6.090 162 1HB SER 22 1HB SER 22 3.179 -0.818 6.389 163 2HB SER 22 2HB SER 22 2.607 -1.887 7.677 164 HG SER 22 HG SER 22 4.614 -0.204 7.757 165 H LEU 23 H LEU 23 3.097 -3.079 3.861 166 HA LEU 23 HA LEU 23 5.385 -2.830 2.308 167 1HB LEU 23 1HB LEU 23 2.558 -1.838 2.141 168 2HB LEU 23 2HB LEU 23 3.648 -1.605 0.800 169 HG LEU 23 HG LEU 23 2.623 -4.194 1.938 170 1HD1 LEU 23 1HD1 LEU 23 2.729 -2.834 -0.739 171 2HD1 LEU 23 2HD1 LEU 23 2.408 -4.564 -0.604 172 3HD1 LEU 23 3HD1 LEU 23 1.332 -3.401 0.139 173 1HD2 LEU 23 1HD2 LEU 23 5.116 -3.692 0.327 174 2HD2 LEU 23 2HD2 LEU 23 4.967 -4.569 1.856 175 3HD2 LEU 23 3HD2 LEU 23 4.327 -5.252 0.352 176 H MET 24 H MET 24 3.605 -0.447 4.065 177 HA MET 24 HA MET 24 4.896 1.857 2.917 178 1HB MET 24 1HB MET 24 2.714 2.166 3.821 179 2HB MET 24 2HB MET 24 3.076 1.184 5.223 180 1HG MET 24 1HG MET 24 4.521 3.806 4.761 181 2HG MET 24 2HG MET 24 2.903 3.794 5.426 182 1HE MET 24 1HE MET 24 5.173 5.071 6.722 183 2HE MET 24 2HE MET 24 6.078 4.276 8.004 184 3HE MET 24 3HE MET 24 6.458 3.980 6.297 185 H GLN 25 H GLN 25 5.829 -0.485 5.116 186 HA GLN 25 HA GLN 25 7.771 1.242 6.470 187 1HB GLN 25 1HB GLN 25 6.529 -0.250 7.842 188 2HB GLN 25 2HB GLN 25 6.756 -1.588 6.700 189 1HG GLN 25 1HG GLN 25 8.850 -2.078 7.506 190 2HG GLN 25 2HG GLN 25 9.255 -0.363 7.737 191 1HE2 GLN 25 2HE2 GLN 25 6.298 -1.821 9.069 192 2HE2 GLN 25 1HE2 GLN 25 6.717 -1.643 10.704 193 H ALA 26 H ALA 26 7.855 -1.983 4.735 194 HA ALA 26 HA ALA 26 10.670 -1.897 4.315 195 1HB ALA 26 1HB ALA 26 8.363 -3.053 2.704 196 2HB ALA 26 2HB ALA 26 10.063 -3.426 2.404 197 3HB ALA 26 3HB ALA 26 9.345 -3.872 3.946 198 H ALA 27 H ALA 27 8.068 -0.673 2.079 199 HA ALA 27 HA ALA 27 9.624 0.217 -0.059 200 1HB ALA 27 1HB ALA 27 7.259 1.416 1.416 201 2HB ALA 27 2HB ALA 27 7.852 2.083 -0.114 202 3HB ALA 27 3HB ALA 27 7.242 0.434 -0.045 203 H VAL 28 H VAL 28 8.820 2.053 2.851 204 HA VAL 28 HA VAL 28 10.504 4.347 2.358 205 HB VAL 28 HB VAL 28 8.579 3.313 4.284 206 1HG1 VAL 28 1HG1 VAL 28 10.712 2.881 5.637 207 2HG1 VAL 28 2HG1 VAL 28 10.988 4.615 5.614 208 3HG1 VAL 28 3HG1 VAL 28 9.544 3.962 6.400 209 1HG2 VAL 28 1HG2 VAL 28 9.766 5.898 3.395 210 2HG2 VAL 28 2HG2 VAL 28 8.090 5.448 3.644 211 3HG2 VAL 28 3HG2 VAL 28 9.063 5.899 5.006 212 H SER 29 H SER 29 11.367 1.192 2.982 213 HA SER 29 HA SER 29 13.911 1.812 4.452 214 1HB SER 29 1HB SER 29 13.267 -0.138 5.452 215 2HB SER 29 2HB SER 29 11.880 -0.172 4.389 216 HG SER 29 HG SER 29 13.036 -2.008 3.987 217 H ASN 30 H ASN 30 12.524 0.602 1.395 218 HA ASN 30 HA ASN 30 15.213 -0.082 0.344 219 1HB ASN 30 1HB ASN 30 12.327 -0.316 -0.689 220 2HB ASN 30 2HB ASN 30 13.729 -0.959 -1.550 221 1HD2 ASN 30 2HD2 ASN 30 12.237 -1.156 1.729 222 2HD2 ASN 30 1HD2 ASN 30 12.516 -2.802 1.940 223 H GLY 31 H GLY 31 13.441 2.623 0.819 224 1HA GLY 31 1HA GLY 31 14.037 4.765 -0.160 225 2HA GLY 31 2HA GLY 31 14.757 3.913 -1.515 226 H ILE 32 H ILE 32 11.698 2.663 -0.792 227 HA ILE 32 HA ILE 32 10.650 3.640 -3.283 228 HB ILE 32 HB ILE 32 9.657 1.944 -0.982 229 1HG1 ILE 32 1HG1 ILE 32 10.691 1.401 -3.794 230 2HG1 ILE 32 2HG1 ILE 32 11.408 0.881 -2.273 231 1HG2 ILE 32 1HG2 ILE 32 7.788 3.211 -2.262 232 2HG2 ILE 32 2HG2 ILE 32 8.256 2.200 -3.654 233 3HG2 ILE 32 3HG2 ILE 32 7.671 1.419 -2.178 234 1HD1 ILE 32 1HD1 ILE 32 8.689 0.017 -3.253 235 2HD1 ILE 32 2HD1 ILE 32 10.163 -0.913 -3.498 236 3HD1 ILE 32 3HD1 ILE 32 9.574 -0.612 -1.848 237 H TYR 33 H TYR 33 9.498 3.863 0.016 238 HA TYR 33 HA TYR 33 7.789 6.200 -0.584 239 1HB TYR 33 1HB TYR 33 8.450 4.378 1.711 240 2HB TYR 33 2HB TYR 33 7.650 5.903 2.054 241 HD1 TYR 33 HD1 TYR 33 6.660 5.157 -1.225 242 HD2 TYR 33 HD2 TYR 33 5.951 3.952 2.839 243 HE1 TYR 33 HE1 TYR 33 4.507 4.252 -1.873 244 HE2 TYR 33 HE2 TYR 33 3.800 3.009 2.176 245 HH TYR 33 HH TYR 33 2.899 2.276 -0.794 246 H ASP 34 H ASP 34 10.295 7.004 -1.204 247 HA ASP 34 HA ASP 34 12.114 7.944 0.678 248 1HB ASP 34 1HB ASP 34 12.335 9.890 -1.053 249 2HB ASP 34 2HB ASP 34 12.535 8.217 -1.629 250 H ILE 35 H ILE 35 8.906 9.273 -0.042 251 HA ILE 35 HA ILE 35 9.274 11.736 1.458 252 HB ILE 35 HB ILE 35 6.923 10.045 0.487 253 1HG1 ILE 35 1HG1 ILE 35 8.352 11.421 -1.138 254 2HG1 ILE 35 2HG1 ILE 35 6.656 11.923 -1.069 255 1HG2 ILE 35 1HG2 ILE 35 6.958 12.276 2.456 256 2HG2 ILE 35 2HG2 ILE 35 5.757 12.416 1.169 257 3HG2 ILE 35 3HG2 ILE 35 5.770 10.988 2.201 258 1HD1 ILE 35 1HD1 ILE 35 7.318 13.665 0.614 259 2HD1 ILE 35 2HD1 ILE 35 9.017 13.219 0.342 260 3HD1 ILE 35 3HD1 ILE 35 8.061 13.910 -0.987 261 H VAL 36 H VAL 36 9.256 11.954 3.678 262 HA VAL 36 HA VAL 36 8.821 9.475 5.246 263 HB VAL 36 HB VAL 36 10.771 11.098 5.478 264 1HG1 VAL 36 1HG1 VAL 36 8.692 12.938 5.614 265 2HG1 VAL 36 2HG1 VAL 36 9.198 12.791 7.309 266 3HG1 VAL 36 3HG1 VAL 36 10.368 13.251 6.062 267 1HG2 VAL 36 1HG2 VAL 36 9.048 10.457 7.852 268 2HG2 VAL 36 2HG2 VAL 36 10.369 9.477 7.251 269 3HG2 VAL 36 3HG2 VAL 36 10.693 11.048 8.009 270 H GLY 37 H GLY 37 6.324 10.037 4.408 271 1HA GLY 37 1HA GLY 37 4.941 11.932 6.165 272 2HA GLY 37 2HA GLY 37 4.217 10.944 4.915 273 H ASP 38 H ASP 38 5.822 10.577 8.059 274 HA ASP 38 HA ASP 38 4.219 8.071 8.485 275 1HB ASP 38 1HB ASP 38 6.584 9.325 9.867 276 2HB ASP 38 2HB ASP 38 5.778 7.913 10.540 277 H CYS 39 H CYS 39 2.212 9.142 8.899 278 HA CYS 39 HA CYS 39 1.740 11.114 10.874 279 1HB CYS 39 1HB CYS 39 -0.604 10.152 10.761 280 2HB CYS 39 2HB CYS 39 0.105 10.652 9.237 281 H GLY 40 H GLY 40 2.788 7.867 11.298 282 1HA GLY 40 1HA GLY 40 2.923 6.471 13.171 283 2HA GLY 40 2HA GLY 40 2.898 7.966 14.082 284 H GLY 41 H GLY 41 0.356 6.473 12.093 285 1HA GLY 41 1HA GLY 41 -1.843 5.875 12.582 286 2HA GLY 41 2HA GLY 41 -1.277 5.393 14.167 287 H SER 42 H SER 42 -0.979 8.714 13.021 288 HA SER 42 HA SER 42 -2.819 9.583 15.208 289 1HB SER 42 1HB SER 42 -0.523 10.459 15.115 290 2HB SER 42 2HB SER 42 -0.790 11.051 13.484 291 HG SER 42 HG SER 42 -2.588 11.772 15.488 292 H ALA 43 H ALA 43 -3.305 8.587 12.208 293 HA ALA 43 HA ALA 43 -4.704 9.237 10.404 294 1HB ALA 43 1HB ALA 43 -5.937 9.408 13.010 295 2HB ALA 43 2HB ALA 43 -6.641 10.607 11.943 296 3HB ALA 43 3HB ALA 43 -6.637 8.927 11.479 297 H SER 44 H SER 44 -2.647 11.040 10.410 298 HA SER 44 HA SER 44 -4.040 13.669 10.178 299 1HB SER 44 1HB SER 44 -2.099 12.879 11.989 300 2HB SER 44 2HB SER 44 -1.136 13.690 10.736 301 HG SER 44 HG SER 44 -3.477 14.955 11.539 302 H CYS 45 H CYS 45 -2.799 11.315 8.253 303 HA CYS 45 HA CYS 45 -1.653 13.350 6.351 304 1HB CYS 45 1HB CYS 45 0.271 12.211 6.269 305 2HB CYS 45 2HB CYS 45 -0.350 11.403 7.713 306 H ALA 46 H ALA 46 -1.595 12.554 4.068 307 HA ALA 46 HA ALA 46 -3.657 10.524 3.364 308 1HB ALA 46 1HB ALA 46 -3.736 13.476 2.745 309 2HB ALA 46 2HB ALA 46 -4.700 12.313 1.876 310 3HB ALA 46 3HB ALA 46 -4.980 12.556 3.594 311 H THR 47 H THR 47 -0.585 11.569 2.965 312 HA THR 47 HA THR 47 -0.572 11.584 0.026 313 HB THR 47 HB THR 47 1.905 11.848 0.362 314 HG1 THR 47 HG1 THR 47 2.301 12.345 2.737 315 1HG2 THR 47 1HG2 THR 47 -0.285 13.558 1.353 316 2HG2 THR 47 2HG2 THR 47 1.314 13.930 2.086 317 3HG2 THR 47 3HG2 THR 47 1.101 13.947 0.314 318 H CYS 48 H CYS 48 -0.666 9.200 2.368 319 HA CYS 48 HA CYS 48 1.135 7.310 0.965 320 1HB CYS 48 1HB CYS 48 0.460 5.828 2.825 321 2HB CYS 48 2HB CYS 48 1.113 7.355 3.384 322 H HIS 49 H HIS 49 -1.422 8.278 -0.401 323 HA HIS 49 HA HIS 49 -3.404 6.230 -0.353 324 1HB HIS 49 1HB HIS 49 -3.779 8.546 -1.084 325 2HB HIS 49 2HB HIS 49 -2.612 8.350 -2.348 326 HD1 HIS 49 HD1 HIS 49 -5.234 5.742 -1.688 327 HD2 HIS 49 HD2 HIS 49 -4.403 8.660 -4.476 328 HE1 HIS 49 HE1 HIS 49 -6.781 5.320 -3.587 329 H VAL 50 H VAL 50 -3.547 4.318 -1.440 330 HA VAL 50 HA VAL 50 -1.958 3.908 -3.848 331 HB VAL 50 HB VAL 50 -0.246 2.788 -2.948 332 1HG1 VAL 50 1HG1 VAL 50 -1.391 3.650 -0.279 333 2HG1 VAL 50 2HG1 VAL 50 0.264 3.071 -0.564 334 3HG1 VAL 50 3HG1 VAL 50 -0.278 4.571 -1.277 335 1HG2 VAL 50 1HG2 VAL 50 -2.425 1.392 -1.361 336 2HG2 VAL 50 2HG2 VAL 50 -1.393 0.717 -2.684 337 3HG2 VAL 50 3HG2 VAL 50 -0.678 1.041 -1.073 338 H TYR 51 H TYR 51 -2.134 1.430 -4.396 339 HA TYR 51 HA TYR 51 -4.870 0.417 -3.654 340 1HB TYR 51 1HB TYR 51 -3.532 1.014 -6.286 341 2HB TYR 51 2HB TYR 51 -4.925 -0.045 -6.142 342 HD1 TYR 51 HD1 TYR 51 -7.094 0.839 -5.247 343 HD2 TYR 51 HD2 TYR 51 -3.740 3.394 -5.868 344 HE1 TYR 51 HE1 TYR 51 -8.544 2.810 -5.016 345 HE2 TYR 51 HE2 TYR 51 -5.194 5.366 -5.715 346 HH TYR 51 HH TYR 51 -7.298 6.062 -5.710 347 H VAL 52 H VAL 52 -4.352 -1.540 -2.760 348 HA VAL 52 HA VAL 52 -2.040 -3.121 -3.584 349 HB VAL 52 HB VAL 52 -4.364 -3.949 -1.876 350 1HG1 VAL 52 1HG1 VAL 52 -2.304 -5.390 -2.560 351 2HG1 VAL 52 2HG1 VAL 52 -1.517 -4.483 -1.280 352 3HG1 VAL 52 3HG1 VAL 52 -2.927 -5.460 -0.901 353 1HG2 VAL 52 1HG2 VAL 52 -2.041 -2.160 -1.066 354 2HG2 VAL 52 2HG2 VAL 52 -3.747 -1.704 -1.117 355 3HG2 VAL 52 3HG2 VAL 52 -3.192 -2.896 0.056 356 H ASN 53 H ASN 53 -2.134 -4.777 -5.160 357 HA ASN 53 HA ASN 53 -4.243 -5.213 -6.936 358 1HB ASN 53 1HB ASN 53 -3.267 -7.650 -6.885 359 2HB ASN 53 2HB ASN 53 -2.197 -6.334 -7.412 360 1HD2 ASN 53 2HD2 ASN 53 -2.976 -6.387 -4.030 361 2HD2 ASN 53 1HD2 ASN 53 -1.514 -7.043 -3.559 362 H GLU 54 H GLU 54 -5.960 -6.806 -6.945 363 HA GLU 54 HA GLU 54 -7.322 -7.102 -4.451 364 1HB GLU 54 1HB GLU 54 -8.834 -8.571 -5.866 365 2HB GLU 54 2HB GLU 54 -8.520 -6.949 -6.527 366 1HG GLU 54 1HG GLU 54 -7.360 -7.769 -8.327 367 2HG GLU 54 2HG GLU 54 -6.572 -9.020 -7.364 368 H ALA 55 H ALA 55 -4.660 -8.756 -5.468 369 HA ALA 55 HA ALA 55 -5.517 -11.318 -4.280 370 1HB ALA 55 1HB ALA 55 -3.575 -10.348 -6.270 371 2HB ALA 55 2HB ALA 55 -2.860 -11.544 -5.161 372 3HB ALA 55 3HB ALA 55 -4.308 -11.958 -6.099 373 H PHE 56 H PHE 56 -4.376 -8.522 -3.032 374 HA PHE 56 HA PHE 56 -2.980 -9.976 -0.828 375 1HB PHE 56 1HB PHE 56 -2.082 -7.489 -2.288 376 2HB PHE 56 2HB PHE 56 -1.336 -8.086 -0.825 377 HD1 PHE 56 HD1 PHE 56 -2.147 -8.951 -4.375 378 HD2 PHE 56 HD2 PHE 56 0.224 -9.908 -0.900 379 HE1 PHE 56 HE1 PHE 56 -0.875 -10.604 -5.677 380 HE2 PHE 56 HE2 PHE 56 1.421 -11.609 -2.162 381 HZ PHE 56 HZ PHE 56 0.914 -11.925 -4.598 382 H THR 57 H THR 57 -5.494 -8.017 -1.737 383 HA THR 57 HA THR 57 -5.339 -6.171 0.576 384 HB THR 57 HB THR 57 -7.292 -5.183 -0.427 385 HG1 THR 57 HG1 THR 57 -8.688 -6.300 -1.506 386 1HG2 THR 57 1HG2 THR 57 -4.969 -5.698 -1.968 387 2HG2 THR 57 2HG2 THR 57 -6.335 -5.967 -3.022 388 3HG2 THR 57 3HG2 THR 57 -6.151 -4.420 -2.232 389 H ASP 58 H ASP 58 -6.837 -9.077 -0.585 390 HA ASP 58 HA ASP 58 -8.500 -9.458 1.842 391 1HB ASP 58 1HB ASP 58 -8.976 -11.379 -0.267 392 2HB ASP 58 2HB ASP 58 -10.080 -10.139 0.333 393 H LYS 59 H LYS 59 -5.576 -9.958 1.337 394 HA LYS 59 HA LYS 59 -5.502 -12.869 2.193 395 1HB LYS 59 1HB LYS 59 -3.387 -11.231 0.813 396 2HB LYS 59 2HB LYS 59 -3.547 -12.991 0.855 397 1HG LYS 59 1HG LYS 59 -5.950 -12.064 -0.278 398 2HG LYS 59 2HG LYS 59 -4.701 -11.071 -1.036 399 1HD LYS 59 1HD LYS 59 -4.974 -13.041 -2.369 400 2HD LYS 59 2HD LYS 59 -3.421 -13.172 -1.517 401 1HE LYS 59 1HE LYS 59 -5.167 -14.354 0.278 402 2HE LYS 59 2HE LYS 59 -5.808 -14.878 -1.309 403 1HZ LYS 59 1HZ LYS 59 -3.308 -15.177 -1.855 404 2HZ LYS 59 2HZ LYS 59 -3.126 -15.290 -0.164 405 3HZ LYS 59 3HZ LYS 59 -4.117 -16.390 -0.989 406 H VAL 60 H VAL 60 -3.944 -9.776 2.115 407 HA VAL 60 HA VAL 60 -2.291 -10.137 4.421 408 HB VAL 60 HB VAL 60 -2.627 -8.636 2.081 409 1HG1 VAL 60 1HG1 VAL 60 -3.327 -6.979 4.302 410 2HG1 VAL 60 2HG1 VAL 60 -1.796 -6.447 3.602 411 3HG1 VAL 60 3HG1 VAL 60 -3.232 -6.576 2.602 412 1HG2 VAL 60 1HG2 VAL 60 -0.583 -9.226 3.994 413 2HG2 VAL 60 2HG2 VAL 60 -0.615 -9.326 2.253 414 3HG2 VAL 60 3HG2 VAL 60 -0.300 -7.775 3.022 415 HA PRO 61 HA PRO 61 -4.854 -8.663 7.576 416 1HB PRO 61 1HB PRO 61 -4.002 -6.157 8.401 417 2HB PRO 61 2HB PRO 61 -3.147 -7.691 8.798 418 1HG PRO 61 1HG PRO 61 -2.593 -5.705 6.640 419 2HG PRO 61 2HG PRO 61 -1.493 -6.528 7.752 420 1HD PRO 61 1HD PRO 61 -1.793 -7.370 5.253 421 2HD PRO 61 2HD PRO 61 -1.572 -8.535 6.527 422 H ALA 62 H ALA 62 -6.839 -8.211 7.326 423 HA ALA 62 HA ALA 62 -7.975 -6.555 5.293 424 1HB ALA 62 1HB ALA 62 -8.722 -8.486 7.296 425 2HB ALA 62 2HB ALA 62 -9.847 -7.132 7.298 426 3HB ALA 62 3HB ALA 62 -9.579 -8.059 5.804 427 H ALA 63 H ALA 63 -6.600 -4.731 6.193 428 HA ALA 63 HA ALA 63 -6.796 -3.233 8.463 429 1HB ALA 63 1HB ALA 63 -5.677 -2.670 6.269 430 2HB ALA 63 2HB ALA 63 -7.230 -2.045 5.719 431 3HB ALA 63 3HB ALA 63 -6.413 -1.314 7.114 432 H ASN 64 H ASN 64 -8.215 -1.693 9.363 433 HA ASN 64 HA ASN 64 -11.080 -2.160 8.762 434 1HB ASN 64 1HB ASN 64 -11.379 -0.936 10.901 435 2HB ASN 64 2HB ASN 64 -10.223 -2.263 11.083 436 1HD2 ASN 64 2HD2 ASN 64 -9.981 -0.394 13.024 437 2HD2 ASN 64 1HD2 ASN 64 -8.687 0.668 12.724 438 H GLU 65 H GLU 65 -12.132 0.130 9.619 439 HA GLU 65 HA GLU 65 -12.365 1.796 7.374 440 1HB GLU 65 1HB GLU 65 -13.639 3.237 8.896 441 2HB GLU 65 2HB GLU 65 -13.957 1.563 9.352 442 1HG GLU 65 1HG GLU 65 -12.327 1.697 11.167 443 2HG GLU 65 2HG GLU 65 -11.878 3.329 10.661 444 H ARG 66 H ARG 66 -9.965 1.936 9.975 445 HA ARG 66 HA ARG 66 -9.134 4.662 9.620 446 1HB ARG 66 1HB ARG 66 -8.151 2.223 10.837 447 2HB ARG 66 2HB ARG 66 -6.849 2.986 9.933 448 1HG ARG 66 1HG ARG 66 -7.474 5.181 11.020 449 2HG ARG 66 2HG ARG 66 -8.516 4.256 12.109 450 1HD ARG 66 1HD ARG 66 -6.326 2.842 12.551 451 2HD ARG 66 2HD ARG 66 -5.502 4.261 11.896 452 HE ARG 66 HE ARG 66 -7.581 4.879 13.872 453 1HH1 ARG 66 1HH1 ARG 66 -4.623 3.326 14.146 454 2HH1 ARG 66 2HH1 ARG 66 -3.914 4.520 15.173 455 1HH2 ARG 66 1HH2 ARG 66 -6.472 6.815 14.803 456 2HH2 ARG 66 2HH2 ARG 66 -4.940 6.490 15.534 457 H GLU 67 H GLU 67 -7.720 1.755 8.095 458 HA GLU 67 HA GLU 67 -6.303 3.009 6.017 459 1HB GLU 67 1HB GLU 67 -5.964 0.731 6.578 460 2HB GLU 67 2HB GLU 67 -7.680 0.363 6.336 461 1HG GLU 67 1HG GLU 67 -7.380 0.012 4.149 462 2HG GLU 67 2HG GLU 67 -6.507 1.544 3.971 463 H ILE 68 H ILE 68 -9.560 1.590 5.999 464 HA ILE 68 HA ILE 68 -10.044 2.436 3.308 465 HB ILE 68 HB ILE 68 -11.896 1.563 5.536 466 1HG1 ILE 68 1HG1 ILE 68 -10.422 0.039 3.356 467 2HG1 ILE 68 2HG1 ILE 68 -10.000 0.029 5.077 468 1HG2 ILE 68 1HG2 ILE 68 -12.242 2.195 2.680 469 2HG2 ILE 68 2HG2 ILE 68 -12.900 0.637 3.156 470 3HG2 ILE 68 3HG2 ILE 68 -13.455 2.117 3.962 471 1HD1 ILE 68 1HD1 ILE 68 -12.728 -0.596 5.064 472 2HD1 ILE 68 2HD1 ILE 68 -12.106 -1.459 3.665 473 3HD1 ILE 68 3HD1 ILE 68 -11.397 -1.753 5.244 474 H GLY 69 H GLY 69 -9.820 4.223 6.051 475 1HA GLY 69 1HA GLY 69 -11.983 6.119 5.409 476 2HA GLY 69 2HA GLY 69 -10.959 6.191 6.845 477 H MET 70 H MET 70 -8.618 6.695 6.452 478 HA MET 70 HA MET 70 -8.197 9.070 5.073 479 1HB MET 70 1HB MET 70 -5.705 8.060 4.906 480 2HB MET 70 2HB MET 70 -6.424 8.509 6.464 481 1HG MET 70 1HG MET 70 -6.966 6.240 7.004 482 2HG MET 70 2HG MET 70 -6.647 5.700 5.357 483 1HE MET 70 1HE MET 70 -5.573 4.064 7.559 484 2HE MET 70 2HE MET 70 -4.730 3.719 6.037 485 3HE MET 70 3HE MET 70 -3.807 3.993 7.514 486 H LEU 71 H LEU 71 -8.396 5.848 3.892 487 HA LEU 71 HA LEU 71 -7.347 6.277 1.176 488 1HB LEU 71 1HB LEU 71 -7.384 4.145 2.398 489 2HB LEU 71 2HB LEU 71 -9.107 4.236 2.523 490 HG LEU 71 HG LEU 71 -7.878 2.804 0.609 491 1HD1 LEU 71 1HD1 LEU 71 -10.506 4.164 0.874 492 2HD1 LEU 71 2HD1 LEU 71 -10.141 3.458 -0.691 493 3HD1 LEU 71 3HD1 LEU 71 -10.160 2.423 0.751 494 1HD2 LEU 71 1HD2 LEU 71 -8.334 5.549 -0.535 495 2HD2 LEU 71 2HD2 LEU 71 -6.871 4.585 -0.594 496 3HD2 LEU 71 3HD2 LEU 71 -8.270 4.111 -1.553 497 H GLU 72 H GLU 72 -10.652 6.012 2.639 498 HA GLU 72 HA GLU 72 -12.071 6.617 0.224 499 1HB GLU 72 1HB GLU 72 -13.871 6.593 1.651 500 2HB GLU 72 2HB GLU 72 -12.684 5.964 2.793 501 1HG GLU 72 1HG GLU 72 -13.353 7.658 4.112 502 2HG GLU 72 2HG GLU 72 -12.328 8.662 3.086 503 H CYS 73 H CYS 73 -9.988 8.516 2.186 504 HA CYS 73 HA CYS 73 -11.137 11.109 1.459 505 1HB CYS 73 1HB CYS 73 -9.419 9.986 3.419 506 2HB CYS 73 2HB CYS 73 -8.509 11.260 2.600 507 HG CYS 73 HG CYS 73 -11.334 11.788 3.818 508 H VAL 74 H VAL 74 -8.472 9.087 0.365 509 HA VAL 74 HA VAL 74 -6.847 10.894 -1.013 510 HB VAL 74 HB VAL 74 -6.384 8.956 -2.463 511 1HG1 VAL 74 1HG1 VAL 74 -5.508 8.904 -0.121 512 2HG1 VAL 74 2HG1 VAL 74 -6.998 8.114 0.372 513 3HG1 VAL 74 3HG1 VAL 74 -5.918 7.306 -0.715 514 1HG2 VAL 74 1HG2 VAL 74 -9.123 8.394 -1.701 515 2HG2 VAL 74 2HG2 VAL 74 -8.207 7.841 -3.099 516 3HG2 VAL 74 3HG2 VAL 74 -8.076 6.980 -1.557 517 H THR 75 H THR 75 -6.918 11.197 -3.513 518 HA THR 75 HA THR 75 -9.734 11.750 -4.375 519 HB THR 75 HB THR 75 -7.145 13.213 -4.836 520 HG1 THR 75 HG1 THR 75 -9.380 14.522 -3.931 521 1HG2 THR 75 1HG2 THR 75 -9.749 13.326 -6.256 522 2HG2 THR 75 2HG2 THR 75 -8.903 14.844 -5.990 523 3HG2 THR 75 3HG2 THR 75 -8.124 13.537 -6.873 524 H ALA 76 H ALA 76 -7.583 9.450 -4.853 525 HA ALA 76 HA ALA 76 -7.522 9.718 -7.799 526 1HB ALA 76 1HB ALA 76 -5.673 9.038 -5.806 527 2HB ALA 76 2HB ALA 76 -6.008 7.522 -6.649 528 3HB ALA 76 3HB ALA 76 -5.424 8.955 -7.536 529 H GLU 77 H GLU 77 -7.121 7.244 -8.507 530 HA GLU 77 HA GLU 77 -9.528 6.124 -9.184 531 1HB GLU 77 1HB GLU 77 -7.910 5.233 -10.446 532 2HB GLU 77 2HB GLU 77 -6.719 5.665 -9.286 533 1HG GLU 77 1HG GLU 77 -6.975 3.534 -8.145 534 2HG GLU 77 2HG GLU 77 -8.380 3.148 -9.125 535 H LEU 78 H LEU 78 -10.321 6.337 -6.574 536 HA LEU 78 HA LEU 78 -9.363 4.273 -4.875 537 1HB LEU 78 1HB LEU 78 -11.095 6.187 -4.376 538 2HB LEU 78 2HB LEU 78 -12.245 4.850 -4.648 539 HG LEU 78 HG LEU 78 -10.140 3.696 -3.258 540 1HD1 LEU 78 1HD1 LEU 78 -10.429 6.467 -2.419 541 2HD1 LEU 78 2HD1 LEU 78 -10.117 5.234 -1.180 542 3HD1 LEU 78 3HD1 LEU 78 -9.002 5.459 -2.539 543 1HD2 LEU 78 1HD2 LEU 78 -12.863 3.847 -2.967 544 2HD2 LEU 78 2HD2 LEU 78 -11.740 2.895 -1.977 545 3HD2 LEU 78 3HD2 LEU 78 -12.249 4.517 -1.442 546 H LYS 79 H LYS 79 -10.167 2.278 -4.329 547 HA LYS 79 HA LYS 79 -11.487 0.849 -6.598 548 1HB LYS 79 1HB LYS 79 -8.997 0.717 -4.965 549 2HB LYS 79 2HB LYS 79 -9.564 -0.755 -5.735 550 1HG LYS 79 1HG LYS 79 -9.204 1.805 -7.260 551 2HG LYS 79 2HG LYS 79 -7.839 0.781 -6.956 552 1HD LYS 79 1HD LYS 79 -8.425 -0.305 -8.792 553 2HD LYS 79 2HD LYS 79 -9.696 -1.035 -7.817 554 1HE LYS 79 1HE LYS 79 -10.865 1.353 -8.540 555 2HE LYS 79 2HE LYS 79 -9.888 0.977 -9.950 556 1HZ LYS 79 1HZ LYS 79 -10.816 -1.413 -9.569 557 2HZ LYS 79 2HZ LYS 79 -12.043 -0.627 -8.697 558 3HZ LYS 79 3HZ LYS 79 -11.793 -0.260 -10.351 559 HA PRO 80 HA PRO 80 -13.624 -1.407 -3.360 560 1HB PRO 80 1HB PRO 80 -13.373 -3.995 -4.141 561 2HB PRO 80 2HB PRO 80 -14.460 -2.860 -4.952 562 1HG PRO 80 1HG PRO 80 -11.719 -3.751 -5.778 563 2HG PRO 80 2HG PRO 80 -13.177 -3.504 -6.763 564 1HD PRO 80 1HD PRO 80 -11.145 -1.701 -6.616 565 2HD PRO 80 2HD PRO 80 -12.838 -1.232 -6.888 566 H ASN 81 H ASN 81 -10.416 -2.262 -4.335 567 HA ASN 81 HA ASN 81 -9.760 -3.454 -1.664 568 1HB ASN 81 1HB ASN 81 -7.838 -4.388 -2.973 569 2HB ASN 81 2HB ASN 81 -9.384 -4.879 -3.588 570 1HD2 ASN 81 2HD2 ASN 81 -6.495 -4.025 -4.826 571 2HD2 ASN 81 1HD2 ASN 81 -6.969 -3.050 -6.143 572 H SER 82 H SER 82 -9.832 -0.479 -2.803 573 HA SER 82 HA SER 82 -7.318 0.787 -2.938 574 1HB SER 82 1HB SER 82 -10.014 1.271 -1.978 575 2HB SER 82 2HB SER 82 -8.787 2.301 -1.223 576 HG SER 82 HG SER 82 -8.333 3.166 -3.061 577 H ARG 83 H ARG 83 -5.900 1.708 -1.342 578 HA ARG 83 HA ARG 83 -6.247 0.934 1.459 579 1HB ARG 83 1HB ARG 83 -5.226 -0.880 -0.405 580 2HB ARG 83 2HB ARG 83 -3.877 -0.441 0.667 581 1HG ARG 83 1HG ARG 83 -4.866 -1.276 2.480 582 2HG ARG 83 2HG ARG 83 -6.495 -0.839 1.967 583 1HD ARG 83 1HD ARG 83 -6.006 -2.748 0.136 584 2HD ARG 83 2HD ARG 83 -4.985 -3.342 1.452 585 HE ARG 83 HE ARG 83 -7.829 -2.583 1.910 586 1HH1 ARG 83 1HH1 ARG 83 -5.286 -4.987 2.032 587 2HH1 ARG 83 2HH1 ARG 83 -6.031 -5.853 3.352 588 1HH2 ARG 83 1HH2 ARG 83 -8.705 -3.695 3.700 589 2HH2 ARG 83 2HH2 ARG 83 -7.906 -5.121 4.253 590 H LEU 84 H LEU 84 -4.730 1.705 2.866 591 HA LEU 84 HA LEU 84 -2.881 3.789 1.762 592 1HB LEU 84 1HB LEU 84 -4.370 3.313 4.366 593 2HB LEU 84 2HB LEU 84 -3.024 4.453 4.310 594 HG LEU 84 HG LEU 84 -5.674 5.032 3.732 595 1HD1 LEU 84 1HD1 LEU 84 -3.549 6.470 4.293 596 2HD1 LEU 84 2HD1 LEU 84 -3.403 6.632 2.524 597 3HD1 LEU 84 3HD1 LEU 84 -4.843 7.193 3.359 598 1HD2 LEU 84 1HD2 LEU 84 -4.105 4.874 1.138 599 2HD2 LEU 84 2HD2 LEU 84 -5.521 3.892 1.561 600 3HD2 LEU 84 3HD2 LEU 84 -5.666 5.638 1.344 601 H CYS 85 H CYS 85 -1.214 2.276 1.271 602 HA CYS 85 HA CYS 85 0.082 0.239 2.099 603 1HB CYS 85 1HB CYS 85 0.907 2.452 0.964 604 2HB CYS 85 2HB CYS 85 1.725 2.726 2.491 605 HG CYS 85 HG CYS 85 2.202 -0.090 1.564 606 H CYS 86 H CYS 86 0.311 3.093 4.310 607 HA CYS 86 HA CYS 86 1.781 1.874 6.340 608 1HB CYS 86 1HB CYS 86 0.536 3.530 7.820 609 2HB CYS 86 2HB CYS 86 1.271 4.216 6.373 610 H GLN 87 H GLN 87 -1.363 0.838 5.312 611 HA GLN 87 HA GLN 87 -1.716 -0.535 7.966 612 1HB GLN 87 1HB GLN 87 -3.480 1.087 6.404 613 2HB GLN 87 2HB GLN 87 -4.105 -0.558 6.457 614 1HG GLN 87 1HG GLN 87 -4.950 0.663 8.380 615 2HG GLN 87 2HG GLN 87 -3.811 -0.594 8.896 616 1HE2 GLN 87 2HE2 GLN 87 -2.714 2.421 7.410 617 2HE2 GLN 87 1HE2 GLN 87 -1.975 3.032 8.801 618 H ILE 88 H ILE 88 -0.311 -1.355 5.320 619 HA ILE 88 HA ILE 88 -1.816 -3.942 5.064 620 HB ILE 88 HB ILE 88 -0.384 -2.208 3.037 621 1HG1 ILE 88 1HG1 ILE 88 -2.859 -2.047 3.473 622 2HG1 ILE 88 2HG1 ILE 88 -2.439 -2.469 1.800 623 1HG2 ILE 88 1HG2 ILE 88 -0.447 -5.150 3.136 624 2HG2 ILE 88 2HG2 ILE 88 -1.060 -4.459 1.630 625 3HG2 ILE 88 3HG2 ILE 88 0.593 -4.071 2.188 626 1HD1 ILE 88 1HD1 ILE 88 -2.807 -4.712 3.704 627 2HD1 ILE 88 2HD1 ILE 88 -4.267 -3.807 3.240 628 3HD1 ILE 88 3HD1 ILE 88 -3.257 -4.578 2.011 629 H ILE 89 H ILE 89 -0.737 -5.561 6.030 630 HA ILE 89 HA ILE 89 2.228 -5.417 6.414 631 HB ILE 89 HB ILE 89 0.084 -7.266 7.561 632 1HG1 ILE 89 1HG1 ILE 89 -0.529 -5.193 8.536 633 2HG1 ILE 89 2HG1 ILE 89 0.706 -5.717 9.677 634 1HG2 ILE 89 1HG2 ILE 89 2.735 -7.697 7.505 635 2HG2 ILE 89 2HG2 ILE 89 2.596 -6.744 8.985 636 3HG2 ILE 89 3HG2 ILE 89 1.680 -8.239 8.801 637 1HD1 ILE 89 1HD1 ILE 89 2.346 -4.488 8.061 638 2HD1 ILE 89 2HD1 ILE 89 0.887 -3.669 7.466 639 3HD1 ILE 89 3HD1 ILE 89 1.363 -3.522 9.171 640 H MET 90 H MET 90 3.526 -6.776 5.244 641 HA MET 90 HA MET 90 2.269 -8.508 3.271 642 1HB MET 90 1HB MET 90 4.896 -7.386 3.941 643 2HB MET 90 2HB MET 90 4.964 -8.973 3.217 644 1HG MET 90 1HG MET 90 4.615 -6.438 1.929 645 2HG MET 90 2HG MET 90 4.803 -8.014 1.206 646 1HE MET 90 1HE MET 90 3.061 -9.676 1.516 647 2HE MET 90 2HE MET 90 1.297 -9.436 1.510 648 3HE MET 90 3HE MET 90 2.218 -9.368 0.006 649 H THR 91 H THR 91 1.914 -10.679 3.554 650 HA THR 91 HA THR 91 3.249 -11.908 5.954 651 HB THR 91 HB THR 91 1.284 -12.912 6.452 652 HG1 THR 91 HG1 THR 91 0.814 -13.181 3.674 653 1HG2 THR 91 1HG2 THR 91 0.278 -10.957 4.375 654 2HG2 THR 91 2HG2 THR 91 -0.731 -11.837 5.519 655 3HG2 THR 91 3HG2 THR 91 0.446 -10.660 6.108 656 HA PRO 92 HA PRO 92 5.423 -14.686 3.589 657 1HB PRO 92 1HB PRO 92 5.009 -17.044 4.943 658 2HB PRO 92 2HB PRO 92 6.051 -15.739 5.571 659 1HG PRO 92 1HG PRO 92 3.226 -16.408 6.236 660 2HG PRO 92 2HG PRO 92 4.549 -15.957 7.328 661 1HD PRO 92 1HD PRO 92 2.702 -14.157 6.597 662 2HD PRO 92 2HD PRO 92 4.394 -13.711 6.800 663 H GLU 93 H GLU 93 1.983 -14.930 3.796 664 HA GLU 93 HA GLU 93 1.995 -17.217 1.849 665 1HB GLU 93 1HB GLU 93 -0.563 -16.298 1.980 666 2HB GLU 93 2HB GLU 93 0.060 -17.653 2.918 667 1HG GLU 93 1HG GLU 93 0.743 -15.906 4.647 668 2HG GLU 93 2HG GLU 93 -0.250 -14.767 3.727 669 H LEU 94 H LEU 94 1.568 -13.843 2.174 670 HA LEU 94 HA LEU 94 0.624 -13.450 -0.570 671 1HB LEU 94 1HB LEU 94 1.190 -11.715 1.837 672 2HB LEU 94 2HB LEU 94 0.599 -11.068 0.309 673 HG LEU 94 HG LEU 94 -0.703 -13.414 1.606 674 1HD1 LEU 94 1HD1 LEU 94 -0.595 -10.981 2.798 675 2HD1 LEU 94 2HD1 LEU 94 -1.980 -10.736 1.765 676 3HD1 LEU 94 3HD1 LEU 94 -1.990 -12.037 2.950 677 1HD2 LEU 94 1HD2 LEU 94 -0.756 -12.433 -0.881 678 2HD2 LEU 94 2HD2 LEU 94 -2.204 -13.145 -0.138 679 3HD2 LEU 94 3HD2 LEU 94 -1.985 -11.392 -0.167 680 H ASP 95 H ASP 95 3.316 -14.531 -0.152 681 HA ASP 95 HA ASP 95 5.296 -12.508 -0.517 682 1HB ASP 95 1HB ASP 95 6.635 -14.433 -1.228 683 2HB ASP 95 2HB ASP 95 5.647 -14.887 0.148 684 H GLY 96 H GLY 96 4.895 -11.015 -2.170 685 1HA GLY 96 1HA GLY 96 5.441 -10.901 -4.683 686 2HA GLY 96 2HA GLY 96 4.258 -12.193 -4.863 687 H ILE 97 H ILE 97 3.527 -9.848 -2.523 688 HA ILE 97 HA ILE 97 1.080 -9.024 -3.544 689 HB ILE 97 HB ILE 97 1.496 -8.456 -1.305 690 1HG1 ILE 97 1HG1 ILE 97 1.482 -6.086 -1.035 691 2HG1 ILE 97 2HG1 ILE 97 2.305 -5.857 -2.576 692 1HG2 ILE 97 1HG2 ILE 97 4.200 -8.210 -2.240 693 2HG2 ILE 97 2HG2 ILE 97 3.805 -6.881 -1.145 694 3HG2 ILE 97 3HG2 ILE 97 3.613 -8.552 -0.619 695 1HD1 ILE 97 1HD1 ILE 97 0.100 -7.464 -3.071 696 2HD1 ILE 97 2HD1 ILE 97 -0.471 -6.185 -1.988 697 3HD1 ILE 97 3HD1 ILE 97 0.299 -5.759 -3.530 698 H VAL 98 H VAL 98 0.410 -7.387 -4.837 699 HA VAL 98 HA VAL 98 2.541 -5.870 -6.281 700 HB VAL 98 HB VAL 98 -0.211 -6.568 -7.358 701 1HG1 VAL 98 1HG1 VAL 98 2.441 -5.734 -8.479 702 2HG1 VAL 98 2HG1 VAL 98 1.369 -6.712 -9.480 703 3HG1 VAL 98 3HG1 VAL 98 0.827 -5.156 -8.860 704 1HG2 VAL 98 1HG2 VAL 98 2.006 -8.467 -6.807 705 2HG2 VAL 98 2HG2 VAL 98 0.295 -8.783 -7.096 706 3HG2 VAL 98 3HG2 VAL 98 1.378 -8.536 -8.464 707 H VAL 99 H VAL 99 2.329 -3.721 -5.510 708 HA VAL 99 HA VAL 99 -0.389 -2.866 -4.631 709 HB VAL 99 HB VAL 99 1.931 -1.020 -4.377 710 1HG1 VAL 99 1HG1 VAL 99 -0.579 -1.842 -3.102 711 2HG1 VAL 99 2HG1 VAL 99 0.728 -1.564 -1.940 712 3HG1 VAL 99 3HG1 VAL 99 0.235 -0.294 -3.063 713 1HG2 VAL 99 1HG2 VAL 99 1.809 -3.648 -2.842 714 2HG2 VAL 99 2HG2 VAL 99 3.064 -3.173 -3.991 715 3HG2 VAL 99 3HG2 VAL 99 2.868 -2.276 -2.485 716 H ASP 100 H ASP 100 -1.168 -0.702 -5.351 717 HA ASP 100 HA ASP 100 -0.152 0.026 -8.076 718 1HB ASP 100 1HB ASP 100 -2.727 -0.816 -7.016 719 2HB ASP 100 2HB ASP 100 -2.869 0.656 -7.961 720 H VAL 101 H VAL 101 0.674 2.028 -8.077 721 HA VAL 101 HA VAL 101 -0.133 3.874 -5.910 722 HB VAL 101 HB VAL 101 2.095 3.857 -7.953 723 1HG1 VAL 101 1HG1 VAL 101 1.292 5.890 -5.892 724 2HG1 VAL 101 2HG1 VAL 101 2.979 5.691 -6.330 725 3HG1 VAL 101 3HG1 VAL 101 1.805 6.150 -7.561 726 1HG2 VAL 101 1HG2 VAL 101 1.964 2.278 -5.843 727 2HG2 VAL 101 2HG2 VAL 101 3.483 3.111 -6.202 728 3HG2 VAL 101 3HG2 VAL 101 2.388 3.747 -4.965 729 HA PRO 102 HA PRO 102 -2.740 5.943 -8.882 730 1HB PRO 102 1HB PRO 102 -3.664 7.841 -7.173 731 2HB PRO 102 2HB PRO 102 -4.259 6.167 -7.165 732 1HG PRO 102 1HG PRO 102 -2.447 7.542 -5.290 733 2HG PRO 102 2HG PRO 102 -3.554 6.191 -5.015 734 1HD PRO 102 1HD PRO 102 -0.797 5.946 -5.281 735 2HD PRO 102 2HD PRO 102 -2.009 4.654 -5.416 736 H ASP 103 H ASP 103 -2.913 8.211 -9.745 737 HA ASP 103 HA ASP 103 -0.297 9.604 -9.750 738 1HB ASP 103 1HB ASP 103 -1.995 8.933 -11.693 739 2HB ASP 103 2HB ASP 103 -2.756 10.463 -11.276 740 H ARG 104 H ARG 104 -3.382 9.791 -8.223 741 HA ARG 104 HA ARG 104 -2.951 12.629 -7.410 742 1HB ARG 104 1HB ARG 104 -5.505 11.131 -6.883 743 2HB ARG 104 2HB ARG 104 -5.295 12.825 -7.330 744 1HG ARG 104 1HG ARG 104 -4.500 10.986 -9.477 745 2HG ARG 104 2HG ARG 104 -6.197 10.850 -9.031 746 1HD ARG 104 1HD ARG 104 -5.669 12.596 -10.837 747 2HD ARG 104 2HD ARG 104 -6.560 13.214 -9.434 748 HE ARG 104 HE ARG 104 -3.816 13.408 -8.802 749 1HH1 ARG 104 1HH1 ARG 104 -4.190 14.251 -11.803 750 2HH1 ARG 104 2HH1 ARG 104 -4.189 15.970 -11.612 751 1HH2 ARG 104 1HH2 ARG 104 -4.631 15.876 -8.191 752 2HH2 ARG 104 2HH2 ARG 104 -4.410 16.882 -9.585 753 H GLN 105 H GLN 105 -1.354 11.845 -5.788 754 HA GLN 105 HA GLN 105 -2.500 10.009 -3.745 755 1HB GLN 105 1HB GLN 105 0.333 11.055 -4.059 756 2HB GLN 105 2HB GLN 105 -0.188 9.650 -3.126 757 1HG GLN 105 1HG GLN 105 -0.863 8.494 -5.140 758 2HG GLN 105 2HG GLN 105 -0.627 9.913 -6.123 759 1HE2 GLN 105 2HE2 GLN 105 1.337 9.978 -7.209 760 2HE2 GLN 105 1HE2 GLN 105 2.719 9.107 -6.746 761 H TRP 106 H TRP 106 -3.731 12.361 -3.408 762 HA TRP 106 HA TRP 106 -2.320 14.348 -1.821 763 1HB TRP 106 1HB TRP 106 -4.276 15.518 -2.106 764 2HB TRP 106 2HB TRP 106 -4.605 14.277 -3.314 765 HD1 TRP 106 HD1 TRP 106 -6.646 12.834 -2.932 766 HE1 TRP 106 HE1 TRP 106 -8.261 12.419 -0.957 767 HE3 TRP 106 HE3 TRP 106 -4.314 15.614 0.592 768 HZ2 TRP 106 HZ2 TRP 106 -8.500 13.269 1.817 769 HZ3 TRP 106 HZ3 TRP 106 -5.215 15.818 2.861 770 HH2 TRP 106 HH2 TRP 106 -7.307 14.646 3.480 Start of MODEL 5 1 3H SER 1 3H SER 1 8.085 -12.238 3.060 2 1H SER 1 1H SER 1 7.655 -10.600 2.932 3 2H SER 1 2H SER 1 6.548 -11.718 3.561 4 HA SER 1 HA SER 1 6.930 -12.853 1.211 5 1HB SER 1 1HB SER 1 4.730 -12.444 1.499 6 2HB SER 1 2HB SER 1 5.067 -11.059 2.536 7 HG SER 1 HG SER 1 4.045 -10.947 0.195 8 H LYS 2 H LYS 2 6.846 -11.955 -1.046 9 HA LYS 2 HA LYS 2 8.831 -9.882 -1.513 10 1HB LYS 2 1HB LYS 2 7.042 -11.705 -3.091 11 2HB LYS 2 2HB LYS 2 7.894 -10.400 -3.902 12 1HG LYS 2 1HG LYS 2 9.797 -11.557 -2.239 13 2HG LYS 2 2HG LYS 2 8.900 -12.921 -2.907 14 1HD LYS 2 1HD LYS 2 9.379 -10.983 -4.981 15 2HD LYS 2 2HD LYS 2 10.906 -11.385 -4.193 16 1HE LYS 2 1HE LYS 2 10.934 -13.279 -5.442 17 2HE LYS 2 2HE LYS 2 9.547 -13.843 -4.489 18 1HZ LYS 2 1HZ LYS 2 8.323 -12.134 -6.074 19 2HZ LYS 2 2HZ LYS 2 9.596 -12.556 -7.112 20 3HZ LYS 2 3HZ LYS 2 8.552 -13.758 -6.514 21 H VAL 3 H VAL 3 8.332 -7.809 -2.315 22 HA VAL 3 HA VAL 3 5.498 -7.066 -2.512 23 HB VAL 3 HB VAL 3 7.690 -6.018 -0.797 24 1HG1 VAL 3 1HG1 VAL 3 6.521 -4.134 -2.164 25 2HG1 VAL 3 2HG1 VAL 3 5.061 -4.564 -1.208 26 3HG1 VAL 3 3HG1 VAL 3 6.537 -3.989 -0.395 27 1HG2 VAL 3 1HG2 VAL 3 6.081 -7.834 -0.168 28 2HG2 VAL 3 2HG2 VAL 3 6.019 -6.429 0.901 29 3HG2 VAL 3 3HG2 VAL 3 4.786 -6.647 -0.321 30 H VAL 4 H VAL 4 5.007 -5.735 -4.152 31 HA VAL 4 HA VAL 4 7.267 -4.245 -5.392 32 HB VAL 4 HB VAL 4 5.356 -6.095 -6.802 33 1HG1 VAL 4 1HG1 VAL 4 6.956 -3.881 -7.748 34 2HG1 VAL 4 2HG1 VAL 4 7.502 -5.394 -8.471 35 3HG1 VAL 4 3HG1 VAL 4 5.823 -4.890 -8.647 36 1HG2 VAL 4 1HG2 VAL 4 7.109 -7.232 -5.501 37 2HG2 VAL 4 2HG2 VAL 4 7.371 -7.436 -7.233 38 3HG2 VAL 4 3HG2 VAL 4 8.335 -6.270 -6.325 39 H TYR 5 H TYR 5 6.289 -2.332 -4.594 40 HA TYR 5 HA TYR 5 3.565 -1.551 -4.991 41 1HB TYR 5 1HB TYR 5 6.029 0.190 -4.747 42 2HB TYR 5 2HB TYR 5 4.390 0.633 -4.334 43 HD1 TYR 5 HD1 TYR 5 7.186 -1.741 -3.320 44 HD2 TYR 5 HD2 TYR 5 3.541 0.289 -2.216 45 HE1 TYR 5 HE1 TYR 5 7.534 -2.393 -1.034 46 HE2 TYR 5 HE2 TYR 5 3.918 -0.375 0.125 47 HH TYR 5 HH TYR 5 6.543 -2.592 1.010 48 H VAL 6 H VAL 6 2.652 -0.671 -6.846 49 HA VAL 6 HA VAL 6 4.449 -0.288 -9.176 50 HB VAL 6 HB VAL 6 1.438 -0.475 -8.866 51 1HG1 VAL 6 1HG1 VAL 6 3.287 -0.197 -11.203 52 2HG1 VAL 6 2HG1 VAL 6 1.788 -1.108 -11.387 53 3HG1 VAL 6 3HG1 VAL 6 1.737 0.588 -10.907 54 1HG2 VAL 6 1HG2 VAL 6 3.532 -2.512 -9.686 55 2HG2 VAL 6 2HG2 VAL 6 2.564 -2.550 -8.206 56 3HG2 VAL 6 3HG2 VAL 6 1.788 -2.770 -9.781 57 H SER 7 H SER 7 3.668 1.611 -10.632 58 HA SER 7 HA SER 7 3.320 4.015 -8.889 59 1HB SER 7 1HB SER 7 4.673 5.102 -10.459 60 2HB SER 7 2HB SER 7 5.292 3.458 -10.562 61 HG SER 7 HG SER 7 4.471 4.789 -12.545 62 H HIS 8 H HIS 8 2.694 5.542 -11.373 63 HA HIS 8 HA HIS 8 -0.217 4.903 -11.486 64 1HB HIS 8 1HB HIS 8 0.690 7.260 -12.962 65 2HB HIS 8 2HB HIS 8 -0.467 7.160 -11.648 66 HD1 HIS 8 HD1 HIS 8 1.333 6.209 -9.366 67 HD2 HIS 8 HD2 HIS 8 2.483 9.174 -12.052 68 HE1 HIS 8 HE1 HIS 8 3.095 7.597 -8.187 69 H ASP 9 H ASP 9 2.713 5.139 -13.366 70 HA ASP 9 HA ASP 9 1.336 4.457 -15.895 71 1HB ASP 9 1HB ASP 9 3.450 4.989 -16.887 72 2HB ASP 9 2HB ASP 9 3.231 6.160 -15.585 73 H GLY 10 H GLY 10 2.665 2.845 -13.242 74 1HA GLY 10 1HA GLY 10 2.376 0.364 -13.245 75 2HA GLY 10 2HA GLY 10 3.034 0.369 -14.879 76 H THR 11 H THR 11 5.024 2.551 -13.586 77 HA THR 11 HA THR 11 7.224 0.813 -13.351 78 HB THR 11 HB THR 11 6.625 3.603 -13.084 79 HG1 THR 11 HG1 THR 11 8.080 3.134 -14.533 80 1HG2 THR 11 1HG2 THR 11 8.301 2.361 -10.921 81 2HG2 THR 11 2HG2 THR 11 8.664 3.989 -11.496 82 3HG2 THR 11 3HG2 THR 11 7.095 3.644 -10.768 83 H ARG 12 H ARG 12 7.867 -0.443 -11.710 84 HA ARG 12 HA ARG 12 6.418 -0.229 -9.107 85 1HB ARG 12 1HB ARG 12 7.575 -2.837 -9.947 86 2HB ARG 12 2HB ARG 12 6.050 -2.496 -9.141 87 1HG ARG 12 1HG ARG 12 4.911 -2.172 -11.130 88 2HG ARG 12 2HG ARG 12 6.343 -1.633 -12.001 89 1HD ARG 12 1HD ARG 12 5.966 -3.795 -12.877 90 2HD ARG 12 2HD ARG 12 7.197 -4.078 -11.631 91 HE ARG 12 HE ARG 12 4.740 -4.243 -10.296 92 1HH1 ARG 12 1HH2 ARG 12 6.578 -6.547 -10.316 93 2HH1 ARG 12 2HH2 ARG 12 5.703 -7.740 -11.215 94 1HH2 ARG 12 1HH1 ARG 12 3.488 -5.459 -12.597 95 2HH2 ARG 12 2HH1 ARG 12 3.954 -7.126 -12.505 96 H ARG 13 H ARG 13 7.590 -1.507 -7.331 97 HA ARG 13 HA ARG 13 10.558 -1.162 -7.379 98 1HB ARG 13 1HB ARG 13 9.654 -0.909 -4.721 99 2HB ARG 13 2HB ARG 13 10.233 0.415 -5.732 100 1HG ARG 13 1HG ARG 13 7.368 -0.515 -5.792 101 2HG ARG 13 2HG ARG 13 7.929 0.688 -4.634 102 1HD ARG 13 1HD ARG 13 8.965 1.733 -6.914 103 2HD ARG 13 2HD ARG 13 7.514 0.941 -7.551 104 HE ARG 13 HE ARG 13 6.234 2.164 -5.739 105 1HH1 ARG 13 1HH1 ARG 13 9.171 3.100 -4.865 106 2HH1 ARG 13 2HH1 ARG 13 9.011 4.789 -5.212 107 1HH2 ARG 13 1HH2 ARG 13 6.078 4.405 -7.023 108 2HH2 ARG 13 2HH2 ARG 13 7.256 5.530 -6.433 109 H GLU 14 H GLU 14 11.286 -2.639 -5.266 110 HA GLU 14 HA GLU 14 9.323 -4.804 -4.916 111 1HB GLU 14 1HB GLU 14 11.763 -6.148 -5.586 112 2HB GLU 14 2HB GLU 14 10.242 -6.184 -6.464 113 1HG GLU 14 1HG GLU 14 12.098 -3.848 -6.845 114 2HG GLU 14 2HG GLU 14 12.451 -5.370 -7.656 115 H LEU 15 H LEU 15 9.357 -4.926 -2.750 116 HA LEU 15 HA LEU 15 11.900 -4.753 -1.217 117 1HB LEU 15 1HB LEU 15 8.995 -4.777 -0.360 118 2HB LEU 15 2HB LEU 15 10.361 -4.267 0.615 119 HG LEU 15 HG LEU 15 8.970 -2.900 -1.597 120 1HD1 LEU 15 1HD1 LEU 15 9.322 -2.560 1.152 121 2HD1 LEU 15 2HD1 LEU 15 10.349 -1.325 0.425 122 3HD1 LEU 15 3HD1 LEU 15 8.626 -1.378 0.046 123 1HD2 LEU 15 1HD2 LEU 15 11.904 -2.941 -1.211 124 2HD2 LEU 15 2HD2 LEU 15 10.959 -2.632 -2.666 125 3HD2 LEU 15 3HD2 LEU 15 11.161 -1.363 -1.457 126 H ASP 16 H ASP 16 10.928 -6.014 1.017 127 HA ASP 16 HA ASP 16 10.140 -8.781 0.347 128 1HB ASP 16 1HB ASP 16 12.602 -8.745 0.150 129 2HB ASP 16 2HB ASP 16 12.733 -7.957 1.723 130 H VAL 17 H VAL 17 8.347 -7.412 1.499 131 HA VAL 17 HA VAL 17 8.817 -6.962 4.397 132 HB VAL 17 HB VAL 17 6.153 -6.662 3.060 133 1HG1 VAL 17 1HG1 VAL 17 7.671 -5.677 5.270 134 2HG1 VAL 17 2HG1 VAL 17 7.030 -4.348 4.301 135 3HG1 VAL 17 3HG1 VAL 17 5.935 -5.561 4.967 136 1HG2 VAL 17 1HG2 VAL 17 8.665 -5.140 2.344 137 2HG2 VAL 17 2HG2 VAL 17 7.487 -5.819 1.243 138 3HG2 VAL 17 3HG2 VAL 17 7.073 -4.395 2.193 139 H ALA 18 H ALA 18 8.439 -8.434 5.854 140 HA ALA 18 HA ALA 18 7.192 -11.021 5.173 141 1HB ALA 18 1HB ALA 18 8.462 -9.898 7.674 142 2HB ALA 18 2HB ALA 18 8.024 -11.591 7.434 143 3HB ALA 18 3HB ALA 18 9.286 -10.856 6.436 144 H ASP 19 H ASP 19 5.972 -12.007 7.094 145 HA ASP 19 HA ASP 19 3.402 -10.834 7.458 146 1HB ASP 19 1HB ASP 19 3.753 -12.489 9.620 147 2HB ASP 19 2HB ASP 19 3.237 -13.042 8.041 148 H GLY 20 H GLY 20 3.016 -9.031 8.553 149 1HA GLY 20 1HA GLY 20 2.887 -8.044 10.829 150 2HA GLY 20 2HA GLY 20 4.533 -8.604 11.091 151 H VAL 21 H VAL 21 5.306 -7.598 8.238 152 HA VAL 21 HA VAL 21 5.868 -4.880 9.216 153 HB VAL 21 HB VAL 21 6.514 -6.241 6.595 154 1HG1 VAL 21 1HG1 VAL 21 7.317 -3.613 7.814 155 2HG1 VAL 21 2HG1 VAL 21 8.187 -4.362 6.473 156 3HG1 VAL 21 3HG1 VAL 21 6.498 -3.903 6.274 157 1HG2 VAL 21 1HG2 VAL 21 7.598 -7.132 8.755 158 2HG2 VAL 21 2HG2 VAL 21 8.672 -6.653 7.424 159 3HG2 VAL 21 3HG2 VAL 21 8.424 -5.571 8.805 160 H SER 22 H SER 22 5.165 -3.030 8.186 161 HA SER 22 HA SER 22 2.713 -3.374 6.515 162 1HB SER 22 1HB SER 22 3.056 -0.669 7.008 163 2HB SER 22 2HB SER 22 2.127 -1.751 8.043 164 HG SER 22 HG SER 22 3.567 -1.323 9.502 165 H LEU 23 H LEU 23 2.975 -3.141 4.293 166 HA LEU 23 HA LEU 23 5.348 -2.860 2.933 167 1HB LEU 23 1HB LEU 23 2.571 -1.848 2.431 168 2HB LEU 23 2HB LEU 23 3.822 -1.687 1.225 169 HG LEU 23 HG LEU 23 2.635 -4.213 2.302 170 1HD1 LEU 23 1HD1 LEU 23 1.646 -3.178 0.329 171 2HD1 LEU 23 2HD1 LEU 23 3.219 -3.223 -0.470 172 3HD1 LEU 23 3HD1 LEU 23 2.394 -4.727 -0.060 173 1HD2 LEU 23 1HD2 LEU 23 5.278 -3.900 0.915 174 2HD2 LEU 23 2HD2 LEU 23 4.987 -4.610 2.503 175 3HD2 LEU 23 3HD2 LEU 23 4.412 -5.423 1.052 176 H MET 24 H MET 24 3.546 -0.356 4.566 177 HA MET 24 HA MET 24 4.815 1.930 3.457 178 1HB MET 24 1HB MET 24 3.168 2.652 4.835 179 2HB MET 24 2HB MET 24 3.153 1.091 5.662 180 1HG MET 24 1HG MET 24 4.512 1.855 7.364 181 2HG MET 24 2HG MET 24 5.471 2.854 6.275 182 1HE MET 24 1HE MET 24 5.818 4.827 7.186 183 2HE MET 24 2HE MET 24 5.001 5.411 5.737 184 3HE MET 24 3HE MET 24 4.658 6.149 7.310 185 H GLN 25 H GLN 25 5.575 -0.066 6.260 186 HA GLN 25 HA GLN 25 7.995 1.160 7.068 187 1HB GLN 25 1HB GLN 25 7.037 -0.359 8.552 188 2HB GLN 25 2HB GLN 25 6.635 -1.497 7.267 189 1HG GLN 25 1HG GLN 25 8.811 -2.371 7.185 190 2HG GLN 25 2HG GLN 25 9.516 -0.945 7.947 191 1HE2 GLN 25 2HE2 GLN 25 6.570 -2.401 9.251 192 2HE2 GLN 25 1HE2 GLN 25 7.287 -3.030 10.654 193 H ALA 26 H ALA 26 7.806 -2.019 5.343 194 HA ALA 26 HA ALA 26 10.474 -2.161 4.524 195 1HB ALA 26 1HB ALA 26 7.955 -2.918 3.017 196 2HB ALA 26 2HB ALA 26 9.564 -3.557 2.679 197 3HB ALA 26 3HB ALA 26 8.787 -3.905 4.226 198 H ALA 27 H ALA 27 7.875 -0.688 2.465 199 HA ALA 27 HA ALA 27 9.410 0.275 0.343 200 1HB ALA 27 1HB ALA 27 6.983 1.210 1.833 201 2HB ALA 27 2HB ALA 27 7.641 2.233 0.560 202 3HB ALA 27 3HB ALA 27 7.105 0.595 0.185 203 H VAL 28 H VAL 28 8.795 1.942 3.440 204 HA VAL 28 HA VAL 28 10.531 4.178 2.823 205 HB VAL 28 HB VAL 28 8.658 3.282 4.796 206 1HG1 VAL 28 1HG1 VAL 28 11.305 4.226 5.944 207 2HG1 VAL 28 2HG1 VAL 28 9.788 4.213 6.842 208 3HG1 VAL 28 3HG1 VAL 28 10.491 2.698 6.277 209 1HG2 VAL 28 1HG2 VAL 28 9.005 5.503 3.462 210 2HG2 VAL 28 2HG2 VAL 28 8.308 5.575 5.079 211 3HG2 VAL 28 3HG2 VAL 28 10.010 5.967 4.832 212 H SER 29 H SER 29 11.250 0.977 3.363 213 HA SER 29 HA SER 29 13.781 1.455 4.851 214 1HB SER 29 1HB SER 29 13.109 -0.520 5.718 215 2HB SER 29 2HB SER 29 11.760 -0.520 4.592 216 HG SER 29 HG SER 29 13.394 -2.311 4.502 217 H ASN 30 H ASN 30 12.456 0.482 1.738 218 HA ASN 30 HA ASN 30 15.124 -0.135 0.658 219 1HB ASN 30 1HB ASN 30 12.286 -0.314 -0.395 220 2HB ASN 30 2HB ASN 30 13.702 -0.887 -1.253 221 1HD2 ASN 30 2HD2 ASN 30 12.046 -1.283 1.880 222 2HD2 ASN 30 1HD2 ASN 30 12.446 -2.920 2.077 223 H GLY 31 H GLY 31 13.118 2.466 1.194 224 1HA GLY 31 1HA GLY 31 13.558 4.713 0.462 225 2HA GLY 31 2HA GLY 31 14.537 4.074 -0.858 226 H ILE 32 H ILE 32 11.269 2.965 -0.131 227 HA ILE 32 HA ILE 32 10.406 3.569 -2.861 228 HB ILE 32 HB ILE 32 9.210 2.319 -0.398 229 1HG1 ILE 32 1HG1 ILE 32 10.244 1.356 -3.060 230 2HG1 ILE 32 2HG1 ILE 32 10.768 0.882 -1.443 231 1HG2 ILE 32 1HG2 ILE 32 7.669 3.579 -2.322 232 2HG2 ILE 32 2HG2 ILE 32 7.729 1.906 -2.890 233 3HG2 ILE 32 3HG2 ILE 32 7.130 2.266 -1.270 234 1HD1 ILE 32 1HD1 ILE 32 8.329 0.030 -1.152 235 2HD1 ILE 32 2HD1 ILE 32 8.261 0.105 -2.916 236 3HD1 ILE 32 3HD1 ILE 32 9.441 -0.931 -2.118 237 H TYR 33 H TYR 33 8.972 4.355 0.263 238 HA TYR 33 HA TYR 33 7.590 6.689 -0.834 239 1HB TYR 33 1HB TYR 33 7.939 5.637 1.990 240 2HB TYR 33 2HB TYR 33 6.745 6.828 1.474 241 HD1 TYR 33 HD1 TYR 33 6.248 5.640 -1.282 242 HD2 TYR 33 HD2 TYR 33 6.409 3.873 2.626 243 HE1 TYR 33 HE1 TYR 33 4.783 3.844 -2.048 244 HE2 TYR 33 HE2 TYR 33 4.933 2.047 1.855 245 HH TYR 33 HH TYR 33 3.665 1.997 -1.489 246 H ASP 34 H ASP 34 10.750 6.366 -0.270 247 HA ASP 34 HA ASP 34 11.298 8.602 1.525 248 1HB ASP 34 1HB ASP 34 13.616 8.079 0.960 249 2HB ASP 34 2HB ASP 34 12.728 6.576 1.216 250 H ILE 35 H ILE 35 9.614 9.513 -0.557 251 HA ILE 35 HA ILE 35 11.414 11.004 -2.413 252 HB ILE 35 HB ILE 35 8.417 10.552 -2.267 253 1HG1 ILE 35 1HG1 ILE 35 10.601 9.510 -4.101 254 2HG1 ILE 35 2HG1 ILE 35 9.677 8.571 -2.926 255 1HG2 ILE 35 1HG2 ILE 35 10.092 12.393 -3.890 256 2HG2 ILE 35 2HG2 ILE 35 8.868 11.481 -4.774 257 3HG2 ILE 35 3HG2 ILE 35 8.393 12.524 -3.433 258 1HD1 ILE 35 1HD1 ILE 35 7.739 9.848 -4.489 259 2HD1 ILE 35 2HD1 ILE 35 8.966 9.325 -5.643 260 3HD1 ILE 35 3HD1 ILE 35 8.201 8.149 -4.575 261 H VAL 36 H VAL 36 8.688 11.579 -0.163 262 HA VAL 36 HA VAL 36 9.627 14.414 0.092 263 HB VAL 36 HB VAL 36 7.336 13.721 -0.965 264 1HG1 VAL 36 1HG1 VAL 36 7.078 12.354 1.413 265 2HG1 VAL 36 2HG1 VAL 36 6.167 13.829 1.735 266 3HG1 VAL 36 3HG1 VAL 36 5.736 12.808 0.364 267 1HG2 VAL 36 1HG2 VAL 36 8.230 15.954 0.491 268 2HG2 VAL 36 2HG2 VAL 36 6.862 15.899 -0.620 269 3HG2 VAL 36 3HG2 VAL 36 6.610 15.623 1.104 270 H GLY 37 H GLY 37 7.690 14.676 2.399 271 1HA GLY 37 1HA GLY 37 9.507 13.610 4.469 272 2HA GLY 37 2HA GLY 37 8.203 14.769 4.733 273 H ASP 38 H ASP 38 7.628 13.311 6.566 274 HA ASP 38 HA ASP 38 6.376 10.726 5.767 275 1HB ASP 38 1HB ASP 38 7.274 12.055 8.315 276 2HB ASP 38 2HB ASP 38 6.159 10.689 8.379 277 H CYS 39 H CYS 39 4.191 10.284 6.898 278 HA CYS 39 HA CYS 39 2.500 12.684 6.522 279 1HB CYS 39 1HB CYS 39 1.368 11.196 5.285 280 2HB CYS 39 2HB CYS 39 2.422 9.890 5.823 281 H GLY 40 H GLY 40 4.160 11.977 8.882 282 1HA GLY 40 1HA GLY 40 4.097 12.267 11.185 283 2HA GLY 40 2HA GLY 40 2.455 12.868 10.985 284 H GLY 41 H GLY 41 2.675 9.769 9.665 285 1HA GLY 41 1HA GLY 41 1.668 7.768 10.415 286 2HA GLY 41 2HA GLY 41 2.733 8.003 11.800 287 H SER 42 H SER 42 0.299 10.430 11.189 288 HA SER 42 HA SER 42 -0.951 9.721 13.775 289 1HB SER 42 1HB SER 42 -1.621 11.951 13.773 290 2HB SER 42 2HB SER 42 -0.182 12.044 12.761 291 HG SER 42 HG SER 42 -2.389 12.939 12.037 292 H ALA 43 H ALA 43 -1.468 8.188 11.119 293 HA ALA 43 HA ALA 43 -3.365 7.360 9.943 294 1HB ALA 43 1HB ALA 43 -3.455 6.872 12.605 295 2HB ALA 43 2HB ALA 43 -4.949 7.795 12.430 296 3HB ALA 43 3HB ALA 43 -4.711 6.317 11.497 297 H SER 44 H SER 44 -2.965 10.357 10.091 298 HA SER 44 HA SER 44 -5.807 11.161 9.582 299 1HB SER 44 1HB SER 44 -4.559 12.019 11.691 300 2HB SER 44 2HB SER 44 -3.599 12.980 10.569 301 HG SER 44 HG SER 44 -6.287 13.178 11.284 302 H CYS 45 H CYS 45 -3.308 10.257 7.893 303 HA CYS 45 HA CYS 45 -3.495 12.547 5.975 304 1HB CYS 45 1HB CYS 45 -1.108 12.000 5.398 305 2HB CYS 45 2HB CYS 45 -1.330 12.628 7.023 306 H ALA 46 H ALA 46 -2.315 11.621 3.840 307 HA ALA 46 HA ALA 46 -3.333 8.888 3.250 308 1HB ALA 46 1HB ALA 46 -4.050 11.521 1.940 309 2HB ALA 46 2HB ALA 46 -4.218 9.995 1.073 310 3HB ALA 46 3HB ALA 46 -5.142 10.277 2.547 311 H THR 47 H THR 47 -0.688 10.457 3.605 312 HA THR 47 HA THR 47 0.622 10.809 1.112 313 HB THR 47 HB THR 47 1.496 9.937 3.874 314 HG1 THR 47 HG1 THR 47 2.169 12.256 2.415 315 1HG2 THR 47 1HG2 THR 47 3.116 10.175 1.353 316 2HG2 THR 47 2HG2 THR 47 3.846 10.536 2.917 317 3HG2 THR 47 3HG2 THR 47 3.185 8.932 2.600 318 H CYS 48 H CYS 48 -0.494 7.964 2.693 319 HA CYS 48 HA CYS 48 1.162 6.155 1.001 320 1HB CYS 48 1HB CYS 48 0.257 4.462 2.557 321 2HB CYS 48 2HB CYS 48 0.957 5.814 3.453 322 H HIS 49 H HIS 49 -1.177 7.817 -0.066 323 HA HIS 49 HA HIS 49 -3.443 6.073 -0.362 324 1HB HIS 49 1HB HIS 49 -3.491 8.513 -0.813 325 2HB HIS 49 2HB HIS 49 -2.405 8.271 -2.188 326 HD1 HIS 49 HD1 HIS 49 -4.830 5.608 -1.595 327 HD2 HIS 49 HD2 HIS 49 -4.712 9.038 -3.882 328 HE1 HIS 49 HE1 HIS 49 -6.627 5.323 -3.292 329 H VAL 50 H VAL 50 -3.027 4.010 -1.134 330 HA VAL 50 HA VAL 50 -1.852 3.884 -3.868 331 HB VAL 50 HB VAL 50 -0.198 2.397 -3.269 332 1HG1 VAL 50 1HG1 VAL 50 -0.197 4.559 -1.706 333 2HG1 VAL 50 2HG1 VAL 50 -0.407 3.340 -0.452 334 3HG1 VAL 50 3HG1 VAL 50 0.994 3.279 -1.517 335 1HG2 VAL 50 1HG2 VAL 50 -2.248 1.489 -1.283 336 2HG2 VAL 50 2HG2 VAL 50 -1.339 0.555 -2.490 337 3HG2 VAL 50 3HG2 VAL 50 -0.540 1.075 -0.977 338 H TYR 51 H TYR 51 -2.030 1.335 -4.413 339 HA TYR 51 HA TYR 51 -4.697 0.373 -3.537 340 1HB TYR 51 1HB TYR 51 -3.553 0.928 -6.244 341 2HB TYR 51 2HB TYR 51 -5.018 0.005 -6.002 342 HD1 TYR 51 HD1 TYR 51 -6.905 1.079 -4.641 343 HD2 TYR 51 HD2 TYR 51 -3.575 3.310 -6.154 344 HE1 TYR 51 HE1 TYR 51 -8.189 3.160 -4.416 345 HE2 TYR 51 HE2 TYR 51 -4.897 5.387 -5.993 346 HH TYR 51 HH TYR 51 -7.888 5.599 -4.366 347 H VAL 52 H VAL 52 -3.996 -1.564 -2.601 348 HA VAL 52 HA VAL 52 -1.767 -3.089 -3.591 349 HB VAL 52 HB VAL 52 -4.095 -4.097 -1.933 350 1HG1 VAL 52 1HG1 VAL 52 -1.830 -5.365 -2.681 351 2HG1 VAL 52 2HG1 VAL 52 -1.300 -4.632 -1.167 352 3HG1 VAL 52 3HG1 VAL 52 -2.702 -5.709 -1.181 353 1HG2 VAL 52 1HG2 VAL 52 -1.927 -2.163 -1.135 354 2HG2 VAL 52 2HG2 VAL 52 -3.672 -2.033 -0.931 355 3HG2 VAL 52 3HG2 VAL 52 -2.763 -3.178 0.047 356 H ASN 53 H ASN 53 -1.789 -4.689 -5.184 357 HA ASN 53 HA ASN 53 -3.797 -4.963 -7.085 358 1HB ASN 53 1HB ASN 53 -2.897 -7.438 -7.114 359 2HB ASN 53 2HB ASN 53 -1.840 -6.119 -7.595 360 1HD2 ASN 53 2HD2 ASN 53 -2.530 -6.323 -4.176 361 2HD2 ASN 53 1HD2 ASN 53 -1.039 -6.990 -3.776 362 H GLU 54 H GLU 54 -5.600 -6.416 -7.301 363 HA GLU 54 HA GLU 54 -7.157 -6.860 -4.946 364 1HB GLU 54 1HB GLU 54 -8.406 -8.429 -6.617 365 2HB GLU 54 2HB GLU 54 -8.317 -6.710 -6.994 366 1HG GLU 54 1HG GLU 54 -6.702 -7.026 -8.658 367 2HG GLU 54 2HG GLU 54 -6.181 -8.576 -7.994 368 H ALA 55 H ALA 55 -4.421 -8.570 -6.068 369 HA ALA 55 HA ALA 55 -5.306 -11.168 -4.954 370 1HB ALA 55 1HB ALA 55 -3.422 -10.190 -6.896 371 2HB ALA 55 2HB ALA 55 -2.538 -11.129 -5.689 372 3HB ALA 55 3HB ALA 55 -3.881 -11.862 -6.572 373 H PHE 56 H PHE 56 -4.221 -8.416 -3.535 374 HA PHE 56 HA PHE 56 -2.984 -9.984 -1.316 375 1HB PHE 56 1HB PHE 56 -1.865 -7.445 -2.504 376 2HB PHE 56 2HB PHE 56 -1.245 -8.261 -1.087 377 HD1 PHE 56 HD1 PHE 56 -1.921 -8.875 -4.757 378 HD2 PHE 56 HD2 PHE 56 0.328 -9.929 -1.241 379 HE1 PHE 56 HE1 PHE 56 -0.590 -10.495 -6.082 380 HE2 PHE 56 HE2 PHE 56 1.563 -11.616 -2.505 381 HZ PHE 56 HZ PHE 56 1.130 -11.890 -4.971 382 H THR 57 H THR 57 -5.382 -7.999 -2.235 383 HA THR 57 HA THR 57 -5.285 -6.205 0.127 384 HB THR 57 HB THR 57 -7.165 -5.141 -0.932 385 HG1 THR 57 HG1 THR 57 -8.603 -6.272 -1.937 386 1HG2 THR 57 1HG2 THR 57 -4.844 -5.835 -2.460 387 2HG2 THR 57 2HG2 THR 57 -6.237 -5.778 -3.541 388 3HG2 THR 57 3HG2 THR 57 -5.824 -4.372 -2.558 389 H ASP 58 H ASP 58 -6.906 -9.042 -1.148 390 HA ASP 58 HA ASP 58 -8.623 -9.280 1.247 391 1HB ASP 58 1HB ASP 58 -10.074 -9.934 -0.389 392 2HB ASP 58 2HB ASP 58 -8.777 -9.818 -1.580 393 H LYS 59 H LYS 59 -5.640 -10.191 0.278 394 HA LYS 59 HA LYS 59 -5.635 -12.913 1.479 395 1HB LYS 59 1HB LYS 59 -3.361 -11.336 0.325 396 2HB LYS 59 2HB LYS 59 -3.611 -13.090 0.301 397 1HG LYS 59 1HG LYS 59 -5.856 -12.067 -1.028 398 2HG LYS 59 2HG LYS 59 -4.526 -11.073 -1.625 399 1HD LYS 59 1HD LYS 59 -4.771 -13.053 -3.041 400 2HD LYS 59 2HD LYS 59 -3.264 -13.183 -2.135 401 1HE LYS 59 1HE LYS 59 -4.459 -14.608 -0.443 402 2HE LYS 59 2HE LYS 59 -5.892 -14.570 -1.487 403 1HZ LYS 59 1HZ LYS 59 -3.821 -15.135 -3.184 404 2HZ LYS 59 2HZ LYS 59 -3.466 -16.058 -1.806 405 3HZ LYS 59 3HZ LYS 59 -4.959 -16.250 -2.594 406 H VAL 60 H VAL 60 -4.027 -9.831 1.556 407 HA VAL 60 HA VAL 60 -2.551 -10.256 3.996 408 HB VAL 60 HB VAL 60 -2.793 -8.570 1.729 409 1HG1 VAL 60 1HG1 VAL 60 -3.609 -7.108 4.031 410 2HG1 VAL 60 2HG1 VAL 60 -2.042 -6.525 3.493 411 3HG1 VAL 60 3HG1 VAL 60 -3.413 -6.548 2.372 412 1HG2 VAL 60 1HG2 VAL 60 -0.831 -9.315 3.710 413 2HG2 VAL 60 2HG2 VAL 60 -0.753 -9.281 1.943 414 3HG2 VAL 60 3HG2 VAL 60 -0.525 -7.788 2.876 415 HA PRO 61 HA PRO 61 -5.594 -9.049 6.845 416 1HB PRO 61 1HB PRO 61 -4.779 -6.829 8.246 417 2HB PRO 61 2HB PRO 61 -4.164 -8.472 8.505 418 1HG PRO 61 1HG PRO 61 -2.921 -6.195 7.100 419 2HG PRO 61 2HG PRO 61 -2.181 -7.531 7.993 420 1HD PRO 61 1HD PRO 61 -2.301 -7.332 5.249 421 2HD PRO 61 2HD PRO 61 -2.020 -8.827 6.118 422 H ALA 62 H ALA 62 -7.474 -8.331 6.570 423 HA ALA 62 HA ALA 62 -8.250 -6.395 4.624 424 1HB ALA 62 1HB ALA 62 -9.292 -8.579 6.072 425 2HB ALA 62 2HB ALA 62 -10.330 -7.203 6.440 426 3HB ALA 62 3HB ALA 62 -10.080 -7.693 4.765 427 H ALA 63 H ALA 63 -6.947 -4.703 5.873 428 HA ALA 63 HA ALA 63 -7.459 -3.440 8.255 429 1HB ALA 63 1HB ALA 63 -7.259 -2.226 5.480 430 2HB ALA 63 2HB ALA 63 -7.121 -1.282 6.961 431 3HB ALA 63 3HB ALA 63 -5.931 -2.534 6.598 432 H ASN 64 H ASN 64 -9.042 -1.751 8.941 433 HA ASN 64 HA ASN 64 -11.641 -1.984 7.460 434 1HB ASN 64 1HB ASN 64 -12.720 -2.129 9.643 435 2HB ASN 64 2HB ASN 64 -11.457 -3.347 9.533 436 1HD2 ASN 64 2HD2 ASN 64 -11.908 -2.908 12.080 437 2HD2 ASN 64 1HD2 ASN 64 -10.825 -1.811 12.790 438 H GLU 65 H GLU 65 -12.923 -0.327 9.447 439 HA GLU 65 HA GLU 65 -13.172 2.129 8.361 440 1HB GLU 65 1HB GLU 65 -13.939 2.852 10.527 441 2HB GLU 65 2HB GLU 65 -14.292 1.131 10.389 442 1HG GLU 65 1HG GLU 65 -11.817 0.986 11.460 443 2HG GLU 65 2HG GLU 65 -12.341 2.525 12.142 444 H ARG 66 H ARG 66 -10.361 1.161 10.306 445 HA ARG 66 HA ARG 66 -9.249 3.696 10.857 446 1HB ARG 66 1HB ARG 66 -8.480 0.939 10.799 447 2HB ARG 66 2HB ARG 66 -7.198 1.876 10.030 448 1HG ARG 66 1HG ARG 66 -7.179 3.411 11.986 449 2HG ARG 66 2HG ARG 66 -8.398 2.401 12.765 450 1HD ARG 66 1HD ARG 66 -5.721 1.317 11.834 451 2HD ARG 66 2HD ARG 66 -6.017 1.893 13.487 452 HE ARG 66 HE ARG 66 -6.975 -0.607 12.407 453 1HH1 ARG 66 1HH1 ARG 66 -9.526 0.916 12.829 454 2HH1 ARG 66 2HH1 ARG 66 -9.905 0.535 14.475 455 1HH2 ARG 66 1HH2 ARG 66 -6.720 -0.616 15.219 456 2HH2 ARG 66 2HH2 ARG 66 -8.318 -0.335 15.827 457 H GLU 67 H GLU 67 -8.014 1.675 8.191 458 HA GLU 67 HA GLU 67 -7.019 3.934 6.708 459 1HB GLU 67 1HB GLU 67 -5.892 2.184 5.820 460 2HB GLU 67 2HB GLU 67 -6.942 1.072 6.693 461 1HG GLU 67 1HG GLU 67 -8.627 1.404 4.792 462 2HG GLU 67 2HG GLU 67 -7.313 2.170 3.901 463 H ILE 68 H ILE 68 -9.976 1.983 6.456 464 HA ILE 68 HA ILE 68 -11.014 2.864 4.028 465 HB ILE 68 HB ILE 68 -12.020 1.897 6.633 466 1HG1 ILE 68 1HG1 ILE 68 -13.514 0.751 4.667 467 2HG1 ILE 68 2HG1 ILE 68 -12.092 1.241 3.742 468 1HG2 ILE 68 1HG2 ILE 68 -13.684 3.669 4.866 469 2HG2 ILE 68 2HG2 ILE 68 -14.441 2.296 5.674 470 3HG2 ILE 68 3HG2 ILE 68 -13.660 3.558 6.626 471 1HD1 ILE 68 1HD1 ILE 68 -10.846 0.186 5.872 472 2HD1 ILE 68 2HD1 ILE 68 -12.330 -0.762 5.938 473 3HD1 ILE 68 3HD1 ILE 68 -11.327 -0.796 4.489 474 H GLY 69 H GLY 69 -10.402 4.759 6.883 475 1HA GLY 69 1HA GLY 69 -12.141 6.963 5.966 476 2HA GLY 69 2HA GLY 69 -11.178 6.958 7.443 477 H MET 70 H MET 70 -8.683 6.903 7.011 478 HA MET 70 HA MET 70 -7.868 9.181 5.566 479 1HB MET 70 1HB MET 70 -5.596 7.974 5.575 480 2HB MET 70 2HB MET 70 -6.372 8.169 7.142 481 1HG MET 70 1HG MET 70 -7.406 5.765 6.386 482 2HG MET 70 2HG MET 70 -5.842 5.710 5.592 483 1HE MET 70 1HE MET 70 -4.911 4.042 6.463 484 2HE MET 70 2HE MET 70 -3.939 4.041 7.939 485 3HE MET 70 3HE MET 70 -5.588 3.373 7.954 486 H LEU 71 H LEU 71 -8.498 5.918 4.487 487 HA LEU 71 HA LEU 71 -7.416 6.185 1.777 488 1HB LEU 71 1HB LEU 71 -7.809 4.083 3.154 489 2HB LEU 71 2HB LEU 71 -9.524 4.363 2.930 490 HG LEU 71 HG LEU 71 -7.976 2.847 1.272 491 1HD1 LEU 71 1HD1 LEU 71 -10.627 4.182 1.150 492 2HD1 LEU 71 2HD1 LEU 71 -10.017 3.484 -0.354 493 3HD1 LEU 71 3HD1 LEU 71 -10.228 2.465 1.074 494 1HD2 LEU 71 1HD2 LEU 71 -8.343 5.570 0.052 495 2HD2 LEU 71 2HD2 LEU 71 -6.821 4.730 0.284 496 3HD2 LEU 71 3HD2 LEU 71 -7.990 4.131 -0.903 497 H GLU 72 H GLU 72 -10.706 6.223 3.207 498 HA GLU 72 HA GLU 72 -12.136 6.879 0.839 499 1HB GLU 72 1HB GLU 72 -13.514 6.343 2.630 500 2HB GLU 72 2HB GLU 72 -12.427 7.080 3.802 501 1HG GLU 72 1HG GLU 72 -13.366 9.165 3.595 502 2HG GLU 72 2HG GLU 72 -13.878 8.895 1.928 503 H CYS 73 H CYS 73 -9.922 8.702 2.783 504 HA CYS 73 HA CYS 73 -10.877 11.360 2.005 505 1HB CYS 73 1HB CYS 73 -9.163 10.127 3.930 506 2HB CYS 73 2HB CYS 73 -8.218 11.337 3.063 507 HG CYS 73 HG CYS 73 -10.919 12.024 4.494 508 H VAL 74 H VAL 74 -8.276 9.146 0.961 509 HA VAL 74 HA VAL 74 -6.582 10.735 -0.540 510 HB VAL 74 HB VAL 74 -6.426 8.817 -2.047 511 1HG1 VAL 74 1HG1 VAL 74 -5.680 8.844 0.485 512 2HG1 VAL 74 2HG1 VAL 74 -6.949 7.630 0.646 513 3HG1 VAL 74 3HG1 VAL 74 -5.595 7.350 -0.449 514 1HG2 VAL 74 1HG2 VAL 74 -9.132 8.518 -1.087 515 2HG2 VAL 74 2HG2 VAL 74 -8.381 7.838 -2.533 516 3HG2 VAL 74 3HG2 VAL 74 -8.209 7.012 -0.982 517 H THR 75 H THR 75 -6.651 11.166 -2.978 518 HA THR 75 HA THR 75 -9.413 11.917 -3.845 519 HB THR 75 HB THR 75 -6.701 13.210 -4.236 520 HG1 THR 75 HG1 THR 75 -7.375 14.565 -2.756 521 1HG2 THR 75 1HG2 THR 75 -9.375 13.721 -5.499 522 2HG2 THR 75 2HG2 THR 75 -8.209 15.028 -5.299 523 3HG2 THR 75 3HG2 THR 75 -7.791 13.612 -6.264 524 H ALA 76 H ALA 76 -7.217 9.585 -4.434 525 HA ALA 76 HA ALA 76 -7.124 9.988 -7.378 526 1HB ALA 76 1HB ALA 76 -5.309 9.166 -5.540 527 2HB ALA 76 2HB ALA 76 -5.905 7.609 -6.113 528 3HB ALA 76 3HB ALA 76 -5.219 8.768 -7.251 529 H GLU 77 H GLU 77 -6.782 7.317 -7.956 530 HA GLU 77 HA GLU 77 -9.351 6.470 -8.735 531 1HB GLU 77 1HB GLU 77 -7.843 5.606 -10.130 532 2HB GLU 77 2HB GLU 77 -6.563 5.896 -8.977 533 1HG GLU 77 1HG GLU 77 -6.832 3.722 -8.010 534 2HG GLU 77 2HG GLU 77 -8.366 3.481 -8.853 535 H LEU 78 H LEU 78 -10.102 6.557 -6.152 536 HA LEU 78 HA LEU 78 -9.170 4.421 -4.558 537 1HB LEU 78 1HB LEU 78 -10.778 6.396 -3.901 538 2HB LEU 78 2HB LEU 78 -12.018 5.155 -4.189 539 HG LEU 78 HG LEU 78 -9.941 3.800 -2.926 540 1HD1 LEU 78 1HD1 LEU 78 -10.113 6.566 -1.913 541 2HD1 LEU 78 2HD1 LEU 78 -10.010 5.269 -0.720 542 3HD1 LEU 78 3HD1 LEU 78 -8.754 5.434 -1.945 543 1HD2 LEU 78 1HD2 LEU 78 -12.659 4.122 -2.580 544 2HD2 LEU 78 2HD2 LEU 78 -11.585 3.012 -1.713 545 3HD2 LEU 78 3HD2 LEU 78 -11.956 4.613 -1.027 546 H LYS 79 H LYS 79 -9.771 2.475 -4.148 547 HA LYS 79 HA LYS 79 -11.203 0.994 -6.302 548 1HB LYS 79 1HB LYS 79 -8.674 1.037 -4.889 549 2HB LYS 79 2HB LYS 79 -9.419 -0.548 -4.750 550 1HG LYS 79 1HG LYS 79 -7.848 -0.101 -6.762 551 2HG LYS 79 2HG LYS 79 -9.384 -0.890 -7.074 552 1HD LYS 79 1HD LYS 79 -10.319 1.012 -8.049 553 2HD LYS 79 2HD LYS 79 -9.226 2.095 -7.186 554 1HE LYS 79 1HE LYS 79 -8.795 1.715 -9.725 555 2HE LYS 79 2HE LYS 79 -7.405 1.590 -8.632 556 1HZ LYS 79 1HZ LYS 79 -9.107 -0.728 -9.361 557 2HZ LYS 79 2HZ LYS 79 -7.688 -0.327 -10.205 558 3HZ LYS 79 3HZ LYS 79 -7.614 -0.755 -8.561 559 HA PRO 80 HA PRO 80 -13.531 -1.044 -3.086 560 1HB PRO 80 1HB PRO 80 -13.337 -3.670 -3.824 561 2HB PRO 80 2HB PRO 80 -14.365 -2.519 -4.701 562 1HG PRO 80 1HG PRO 80 -11.691 -3.600 -5.404 563 2HG PRO 80 2HG PRO 80 -13.051 -3.178 -6.455 564 1HD PRO 80 1HD PRO 80 -10.824 -1.609 -6.102 565 2HD PRO 80 2HD PRO 80 -12.411 -0.995 -6.615 566 H ASN 81 H ASN 81 -10.330 -2.005 -3.980 567 HA ASN 81 HA ASN 81 -9.765 -3.146 -1.276 568 1HB ASN 81 1HB ASN 81 -7.844 -4.195 -2.538 569 2HB ASN 81 2HB ASN 81 -9.432 -4.671 -3.140 570 1HD2 ASN 81 2HD2 ASN 81 -6.512 -3.956 -4.363 571 2HD2 ASN 81 1HD2 ASN 81 -6.945 -3.122 -5.778 572 H SER 82 H SER 82 -9.686 -0.162 -2.289 573 HA SER 82 HA SER 82 -7.107 0.895 -2.586 574 1HB SER 82 1HB SER 82 -9.684 1.754 -1.727 575 2HB SER 82 2HB SER 82 -8.494 2.383 -0.604 576 HG SER 82 HG SER 82 -7.325 3.172 -2.364 577 H ARG 83 H ARG 83 -5.492 1.613 -0.995 578 HA ARG 83 HA ARG 83 -5.811 0.523 1.746 579 1HB ARG 83 1HB ARG 83 -3.957 -0.464 -0.376 580 2HB ARG 83 2HB ARG 83 -3.431 -0.527 1.300 581 1HG ARG 83 1HG ARG 83 -6.002 -1.750 0.250 582 2HG ARG 83 2HG ARG 83 -4.528 -2.648 0.594 583 1HD ARG 83 1HD ARG 83 -4.827 -2.549 2.860 584 2HD ARG 83 2HD ARG 83 -5.573 -0.944 2.798 585 HE ARG 83 HE ARG 83 -7.638 -2.015 1.980 586 1HH1 ARG 83 1HH1 ARG 83 -5.126 -4.287 2.311 587 2HH1 ARG 83 2HH1 ARG 83 -6.144 -5.557 2.895 588 1HH2 ARG 83 1HH2 ARG 83 -8.967 -3.568 3.094 589 2HH2 ARG 83 2HH2 ARG 83 -8.305 -5.151 3.327 590 H LEU 84 H LEU 84 -4.273 1.298 3.187 591 HA LEU 84 HA LEU 84 -2.718 3.690 2.297 592 1HB LEU 84 1HB LEU 84 -4.080 2.875 4.892 593 2HB LEU 84 2HB LEU 84 -2.976 4.240 4.795 594 HG LEU 84 HG LEU 84 -5.684 4.404 4.424 595 1HD1 LEU 84 1HD1 LEU 84 -3.797 6.171 4.692 596 2HD1 LEU 84 2HD1 LEU 84 -3.827 6.243 2.931 597 3HD1 LEU 84 3HD1 LEU 84 -5.274 6.643 3.855 598 1HD2 LEU 84 1HD2 LEU 84 -4.407 4.174 1.687 599 2HD2 LEU 84 2HD2 LEU 84 -5.766 3.243 2.321 600 3HD2 LEU 84 3HD2 LEU 84 -5.958 4.961 1.972 601 H CYS 85 H CYS 85 -0.747 2.670 1.869 602 HA CYS 85 HA CYS 85 0.470 0.441 2.660 603 1HB CYS 85 1HB CYS 85 1.648 3.220 2.636 604 2HB CYS 85 2HB CYS 85 2.610 1.747 2.648 605 HG CYS 85 HG CYS 85 2.122 2.554 0.151 606 H CYS 86 H CYS 86 -0.053 3.116 4.982 607 HA CYS 86 HA CYS 86 1.624 1.892 7.021 608 1HB CYS 86 1HB CYS 86 0.580 3.591 8.494 609 2HB CYS 86 2HB CYS 86 1.125 4.300 6.985 610 H GLN 87 H GLN 87 -1.177 0.757 5.697 611 HA GLN 87 HA GLN 87 -1.988 -0.552 8.266 612 1HB GLN 87 1HB GLN 87 -3.430 1.254 6.814 613 2HB GLN 87 2HB GLN 87 -3.993 -0.267 6.117 614 1HG GLN 87 1HG GLN 87 -5.358 0.464 8.081 615 2HG GLN 87 2HG GLN 87 -4.594 -1.107 8.322 616 1HE2 GLN 87 2HE2 GLN 87 -2.566 1.750 8.439 617 2HE2 GLN 87 1HE2 GLN 87 -2.332 1.752 10.120 618 H ILE 88 H ILE 88 -0.834 -1.059 5.105 619 HA ILE 88 HA ILE 88 -2.091 -3.722 4.780 620 HB ILE 88 HB ILE 88 -0.520 -1.774 3.172 621 1HG1 ILE 88 1HG1 ILE 88 -3.020 -2.222 3.088 622 2HG1 ILE 88 2HG1 ILE 88 -2.179 -2.246 1.540 623 1HG2 ILE 88 1HG2 ILE 88 -0.115 -4.729 2.966 624 2HG2 ILE 88 2HG2 ILE 88 -0.236 -3.796 1.473 625 3HG2 ILE 88 3HG2 ILE 88 1.018 -3.414 2.652 626 1HD1 ILE 88 1HD1 ILE 88 -1.947 -4.800 1.939 627 2HD1 ILE 88 2HD1 ILE 88 -3.204 -4.576 3.155 628 3HD1 ILE 88 3HD1 ILE 88 -3.523 -4.178 1.468 629 H ILE 89 H ILE 89 -1.164 -5.476 5.806 630 HA ILE 89 HA ILE 89 1.738 -5.387 6.498 631 HB ILE 89 HB ILE 89 -0.726 -6.608 7.621 632 1HG1 ILE 89 1HG1 ILE 89 0.125 -5.832 9.656 633 2HG1 ILE 89 2HG1 ILE 89 1.798 -5.964 9.118 634 1HG2 ILE 89 1HG2 ILE 89 1.838 -8.110 7.340 635 2HG2 ILE 89 2HG2 ILE 89 1.069 -8.152 8.928 636 3HG2 ILE 89 3HG2 ILE 89 0.190 -8.719 7.509 637 1HD1 ILE 89 1HD1 ILE 89 -0.128 -4.001 7.868 638 2HD1 ILE 89 2HD1 ILE 89 0.834 -3.591 9.289 639 3HD1 ILE 89 3HD1 ILE 89 1.630 -4.020 7.775 640 H MET 90 H MET 90 3.129 -6.795 5.546 641 HA MET 90 HA MET 90 2.199 -8.419 3.294 642 1HB MET 90 1HB MET 90 4.388 -6.903 3.868 643 2HB MET 90 2HB MET 90 4.993 -8.507 4.281 644 1HG MET 90 1HG MET 90 5.396 -7.869 1.890 645 2HG MET 90 2HG MET 90 4.458 -9.344 2.081 646 1HE MET 90 1HE MET 90 2.614 -9.857 1.631 647 2HE MET 90 2HE MET 90 1.166 -8.970 1.086 648 3HE MET 90 3HE MET 90 2.449 -9.417 -0.062 649 H THR 91 H THR 91 1.577 -10.565 3.582 650 HA THR 91 HA THR 91 2.604 -11.924 6.065 651 HB THR 91 HB THR 91 0.749 -13.245 5.962 652 HG1 THR 91 HG1 THR 91 0.408 -13.004 3.202 653 1HG2 THR 91 1HG2 THR 91 -0.039 -10.946 4.182 654 2HG2 THR 91 2HG2 THR 91 -1.178 -12.110 4.841 655 3HG2 THR 91 3HG2 THR 91 -0.253 -11.071 5.925 656 HA PRO 92 HA PRO 92 5.139 -14.565 3.724 657 1HB PRO 92 1HB PRO 92 4.723 -16.975 4.944 658 2HB PRO 92 2HB PRO 92 5.537 -15.635 5.754 659 1HG PRO 92 1HG PRO 92 2.895 -16.776 6.236 660 2HG PRO 92 2HG PRO 92 3.866 -15.714 7.263 661 1HD PRO 92 1HD PRO 92 1.638 -15.022 5.552 662 2HD PRO 92 2HD PRO 92 2.548 -13.982 6.671 663 H GLU 93 H GLU 93 1.776 -15.007 3.584 664 HA GLU 93 HA GLU 93 1.843 -17.247 1.636 665 1HB GLU 93 1HB GLU 93 -0.352 -17.456 2.293 666 2HB GLU 93 2HB GLU 93 0.207 -16.486 3.648 667 1HG GLU 93 1HG GLU 93 -0.595 -14.483 2.694 668 2HG GLU 93 2HG GLU 93 -0.879 -15.255 1.136 669 H LEU 94 H LEU 94 1.444 -13.852 1.937 670 HA LEU 94 HA LEU 94 0.697 -13.416 -0.869 671 1HB LEU 94 1HB LEU 94 1.112 -11.730 1.595 672 2HB LEU 94 2HB LEU 94 0.711 -11.021 0.048 673 HG LEU 94 HG LEU 94 -0.848 -13.325 1.154 674 1HD1 LEU 94 1HD1 LEU 94 -0.755 -11.008 2.509 675 2HD1 LEU 94 2HD1 LEU 94 -1.952 -10.574 1.285 676 3HD1 LEU 94 3HD1 LEU 94 -2.228 -11.954 2.350 677 1HD2 LEU 94 1HD2 LEU 94 -0.635 -12.251 -1.286 678 2HD2 LEU 94 2HD2 LEU 94 -2.130 -12.971 -0.681 679 3HD2 LEU 94 3HD2 LEU 94 -1.895 -11.226 -0.614 680 H ASP 95 H ASP 95 3.392 -14.517 -0.167 681 HA ASP 95 HA ASP 95 5.355 -12.480 -0.497 682 1HB ASP 95 1HB ASP 95 6.798 -14.404 -1.084 683 2HB ASP 95 2HB ASP 95 5.753 -14.817 0.276 684 H GLY 96 H GLY 96 5.049 -11.046 -2.250 685 1HA GLY 96 1HA GLY 96 5.766 -11.020 -4.709 686 2HA GLY 96 2HA GLY 96 4.615 -12.339 -4.923 687 H ILE 97 H ILE 97 3.779 -9.793 -2.731 688 HA ILE 97 HA ILE 97 1.335 -9.143 -4.004 689 HB ILE 97 HB ILE 97 1.798 -8.911 -1.668 690 1HG1 ILE 97 1HG1 ILE 97 1.765 -6.071 -2.468 691 2HG1 ILE 97 2HG1 ILE 97 0.448 -7.092 -3.009 692 1HG2 ILE 97 1HG2 ILE 97 4.239 -7.982 -2.611 693 2HG2 ILE 97 2HG2 ILE 97 3.549 -6.652 -1.674 694 3HG2 ILE 97 3HG2 ILE 97 3.751 -8.258 -0.952 695 1HD1 ILE 97 1HD1 ILE 97 0.696 -7.937 -0.482 696 2HD1 ILE 97 2HD1 ILE 97 1.176 -6.249 -0.287 697 3HD1 ILE 97 3HD1 ILE 97 -0.410 -6.635 -0.964 698 H VAL 98 H VAL 98 0.682 -7.148 -4.839 699 HA VAL 98 HA VAL 98 2.808 -5.575 -6.241 700 HB VAL 98 HB VAL 98 0.140 -6.334 -7.444 701 1HG1 VAL 98 1HG1 VAL 98 1.731 -4.559 -8.392 702 2HG1 VAL 98 2HG1 VAL 98 2.801 -5.899 -8.803 703 3HG1 VAL 98 3HG1 VAL 98 1.184 -5.813 -9.506 704 1HG2 VAL 98 1HG2 VAL 98 2.582 -8.052 -7.089 705 2HG2 VAL 98 2HG2 VAL 98 0.885 -8.548 -7.129 706 3HG2 VAL 98 3HG2 VAL 98 1.733 -8.147 -8.630 707 H VAL 99 H VAL 99 2.533 -3.486 -5.429 708 HA VAL 99 HA VAL 99 -0.200 -2.717 -4.532 709 HB VAL 99 HB VAL 99 2.076 -0.860 -4.121 710 1HG1 VAL 99 1HG1 VAL 99 -0.368 -1.917 -2.843 711 2HG1 VAL 99 2HG1 VAL 99 0.937 -1.520 -1.719 712 3HG1 VAL 99 3HG1 VAL 99 0.302 -0.280 -2.803 713 1HG2 VAL 99 1HG2 VAL 99 2.021 -3.611 -2.824 714 2HG2 VAL 99 2HG2 VAL 99 3.305 -2.969 -3.846 715 3HG2 VAL 99 3HG2 VAL 99 3.000 -2.254 -2.263 716 H ASP 100 H ASP 100 -1.064 -0.636 -5.218 717 HA ASP 100 HA ASP 100 0.061 0.221 -7.864 718 1HB ASP 100 1HB ASP 100 -2.488 -0.809 -7.041 719 2HB ASP 100 2HB ASP 100 -2.681 0.764 -7.808 720 H VAL 101 H VAL 101 0.935 2.158 -7.559 721 HA VAL 101 HA VAL 101 -0.183 4.022 -5.571 722 HB VAL 101 HB VAL 101 2.228 4.136 -7.414 723 1HG1 VAL 101 1HG1 VAL 101 1.084 6.266 -6.272 724 2HG1 VAL 101 2HG1 VAL 101 2.031 5.701 -4.895 725 3HG1 VAL 101 3HG1 VAL 101 2.834 6.106 -6.413 726 1HG2 VAL 101 1HG2 VAL 101 2.067 2.300 -5.599 727 2HG2 VAL 101 2HG2 VAL 101 3.505 3.319 -5.593 728 3HG2 VAL 101 3HG2 VAL 101 2.207 3.621 -4.438 729 HA PRO 102 HA PRO 102 -2.492 5.999 -8.833 730 1HB PRO 102 1HB PRO 102 -3.593 7.933 -7.280 731 2HB PRO 102 2HB PRO 102 -4.101 6.242 -7.200 732 1HG PRO 102 1HG PRO 102 -2.339 7.751 -5.364 733 2HG PRO 102 2HG PRO 102 -3.564 6.524 -5.005 734 1HD PRO 102 1HD PRO 102 -0.867 6.036 -5.079 735 2HD PRO 102 2HD PRO 102 -2.123 4.810 -5.340 736 H ASP 103 H ASP 103 -2.922 8.414 -9.415 737 HA ASP 103 HA ASP 103 -0.318 9.808 -9.631 738 1HB ASP 103 1HB ASP 103 -2.199 9.302 -11.444 739 2HB ASP 103 2HB ASP 103 -2.914 10.773 -10.784 740 H ARG 104 H ARG 104 -3.177 9.818 -7.771 741 HA ARG 104 HA ARG 104 -2.748 12.618 -6.804 742 1HB ARG 104 1HB ARG 104 -5.030 10.870 -7.367 743 2HB ARG 104 2HB ARG 104 -5.102 11.542 -5.749 744 1HG ARG 104 1HG ARG 104 -6.116 13.266 -6.863 745 2HG ARG 104 2HG ARG 104 -4.443 13.773 -7.061 746 1HD ARG 104 1HD ARG 104 -5.900 13.761 -9.181 747 2HD ARG 104 2HD ARG 104 -4.351 12.911 -9.292 748 HE ARG 104 HE ARG 104 -5.593 10.793 -8.945 749 1HH1 ARG 104 1HH1 ARG 104 -8.153 11.751 -7.831 750 2HH1 ARG 104 2HH1 ARG 104 -9.200 11.749 -9.210 751 1HH2 ARG 104 1HH2 ARG 104 -6.614 11.608 -11.511 752 2HH2 ARG 104 2HH2 ARG 104 -8.331 11.669 -11.290 753 H GLN 105 H GLN 105 -0.901 11.698 -5.441 754 HA GLN 105 HA GLN 105 -1.859 9.717 -3.462 755 1HB GLN 105 1HB GLN 105 0.425 9.933 -4.891 756 2HB GLN 105 2HB GLN 105 0.927 10.790 -3.435 757 1HG GLN 105 1HG GLN 105 0.305 8.883 -2.047 758 2HG GLN 105 2HG GLN 105 -0.318 8.028 -3.459 759 1HE2 GLN 105 1HE2 GLN 105 1.645 8.414 -5.367 760 2HE2 GLN 105 2HE2 GLN 105 3.125 7.773 -4.839 761 H TRP 106 H TRP 106 -3.086 12.169 -3.002 762 HA TRP 106 HA TRP 106 -1.587 13.922 -1.233 763 1HB TRP 106 1HB TRP 106 -3.469 15.195 -1.433 764 2HB TRP 106 2HB TRP 106 -3.893 14.049 -2.704 765 HD1 TRP 106 HD1 TRP 106 -6.022 12.628 -2.318 766 HE1 TRP 106 HE1 TRP 106 -7.707 12.368 -0.365 767 HE3 TRP 106 HE3 TRP 106 -3.538 15.244 1.228 768 HZ2 TRP 106 HZ2 TRP 106 -7.936 13.227 2.381 769 HZ3 TRP 106 HZ3 TRP 106 -4.478 15.536 3.491 770 HH2 TRP 106 HH2 TRP 106 -6.675 14.531 4.085 Start of MODEL 6 1 3H SER 1 3H SER 1 7.712 -12.044 3.181 2 1H SER 1 1H SER 1 7.333 -10.396 3.063 3 2H SER 1 2H SER 1 6.202 -11.481 3.716 4 HA SER 1 HA SER 1 6.448 -12.632 1.380 5 1HB SER 1 1HB SER 1 4.289 -11.951 1.361 6 2HB SER 1 2HB SER 1 4.666 -10.982 2.780 7 HG SER 1 HG SER 1 4.483 -10.249 0.082 8 H LYS 2 H LYS 2 6.885 -12.062 -0.803 9 HA LYS 2 HA LYS 2 8.819 -10.042 -1.370 10 1HB LYS 2 1HB LYS 2 6.898 -11.794 -2.876 11 2HB LYS 2 2HB LYS 2 7.794 -10.557 -3.740 12 1HG LYS 2 1HG LYS 2 9.748 -11.699 -2.209 13 2HG LYS 2 2HG LYS 2 8.708 -13.080 -2.561 14 1HD LYS 2 1HD LYS 2 9.324 -11.276 -4.843 15 2HD LYS 2 2HD LYS 2 10.655 -12.267 -4.248 16 1HE LYS 2 1HE LYS 2 8.329 -13.930 -4.366 17 2HE LYS 2 2HE LYS 2 8.488 -13.089 -5.921 18 1HZ LYS 2 1HZ LYS 2 10.927 -14.091 -4.656 19 2HZ LYS 2 2HZ LYS 2 9.900 -15.235 -5.378 20 3HZ LYS 2 3HZ LYS 2 10.541 -13.961 -6.302 21 H VAL 3 H VAL 3 8.408 -7.944 -2.282 22 HA VAL 3 HA VAL 3 5.584 -7.078 -2.372 23 HB VAL 3 HB VAL 3 7.945 -5.950 -0.929 24 1HG1 VAL 3 1HG1 VAL 3 6.533 -4.197 -2.165 25 2HG1 VAL 3 2HG1 VAL 3 5.176 -4.703 -1.105 26 3HG1 VAL 3 3HG1 VAL 3 6.653 -4.005 -0.408 27 1HG2 VAL 3 1HG2 VAL 3 5.449 -7.421 -0.332 28 2HG2 VAL 3 2HG2 VAL 3 7.012 -7.523 0.435 29 3HG2 VAL 3 3HG2 VAL 3 5.927 -6.199 0.835 30 H VAL 4 H VAL 4 5.107 -5.806 -4.036 31 HA VAL 4 HA VAL 4 7.317 -4.344 -5.382 32 HB VAL 4 HB VAL 4 5.400 -6.219 -6.745 33 1HG1 VAL 4 1HG1 VAL 4 6.955 -4.030 -7.730 34 2HG1 VAL 4 2HG1 VAL 4 7.639 -5.531 -8.353 35 3HG1 VAL 4 3HG1 VAL 4 5.943 -5.144 -8.646 36 1HG2 VAL 4 1HG2 VAL 4 8.361 -6.438 -6.191 37 2HG2 VAL 4 2HG2 VAL 4 7.092 -7.398 -5.432 38 3HG2 VAL 4 3HG2 VAL 4 7.424 -7.580 -7.155 39 H TYR 5 H TYR 5 6.341 -2.374 -4.680 40 HA TYR 5 HA TYR 5 3.571 -1.700 -5.046 41 1HB TYR 5 1HB TYR 5 6.013 0.083 -4.855 42 2HB TYR 5 2HB TYR 5 4.363 0.533 -4.478 43 HD1 TYR 5 HD1 TYR 5 7.148 -1.800 -3.367 44 HD2 TYR 5 HD2 TYR 5 3.496 0.260 -2.348 45 HE1 TYR 5 HE1 TYR 5 7.476 -2.377 -1.063 46 HE2 TYR 5 HE2 TYR 5 3.865 -0.333 0.014 47 HH TYR 5 HH TYR 5 6.480 -2.519 0.959 48 H VAL 6 H VAL 6 2.637 -0.802 -6.918 49 HA VAL 6 HA VAL 6 4.451 -0.498 -9.250 50 HB VAL 6 HB VAL 6 1.440 -0.659 -8.949 51 1HG1 VAL 6 1HG1 VAL 6 3.282 -0.498 -11.320 52 2HG1 VAL 6 2HG1 VAL 6 1.680 -1.224 -11.449 53 3HG1 VAL 6 3HG1 VAL 6 1.849 0.467 -10.977 54 1HG2 VAL 6 1HG2 VAL 6 3.555 -2.679 -9.734 55 2HG2 VAL 6 2HG2 VAL 6 2.523 -2.745 -8.298 56 3HG2 VAL 6 3HG2 VAL 6 1.820 -2.947 -9.911 57 H SER 7 H SER 7 3.881 1.418 -10.698 58 HA SER 7 HA SER 7 3.417 3.817 -8.986 59 1HB SER 7 1HB SER 7 4.638 4.985 -10.764 60 2HB SER 7 2HB SER 7 5.539 3.554 -10.284 61 HG SER 7 HG SER 7 4.136 2.583 -12.090 62 H HIS 8 H HIS 8 2.768 5.507 -11.243 63 HA HIS 8 HA HIS 8 -0.075 4.731 -11.557 64 1HB HIS 8 1HB HIS 8 0.914 7.173 -12.898 65 2HB HIS 8 2HB HIS 8 -0.424 6.986 -11.779 66 HD1 HIS 8 HD1 HIS 8 1.235 5.838 -9.378 67 HD2 HIS 8 HD2 HIS 8 2.301 9.212 -11.569 68 HE1 HIS 8 HE1 HIS 8 2.713 7.234 -7.866 69 H ASP 9 H ASP 9 2.897 5.028 -13.352 70 HA ASP 9 HA ASP 9 1.589 4.431 -15.945 71 1HB ASP 9 1HB ASP 9 3.783 4.909 -16.840 72 2HB ASP 9 2HB ASP 9 3.464 6.108 -15.587 73 H GLY 10 H GLY 10 2.749 2.714 -13.298 74 1HA GLY 10 1HA GLY 10 2.458 0.237 -13.388 75 2HA GLY 10 2HA GLY 10 3.202 0.287 -14.987 76 H THR 11 H THR 11 5.238 2.325 -13.921 77 HA THR 11 HA THR 11 7.346 0.577 -13.377 78 HB THR 11 HB THR 11 6.822 3.390 -13.432 79 HG1 THR 11 HG1 THR 11 9.355 2.206 -13.334 80 1HG2 THR 11 1HG2 THR 11 8.366 2.349 -11.074 81 2HG2 THR 11 2HG2 THR 11 8.781 3.911 -11.790 82 3HG2 THR 11 3HG2 THR 11 7.170 3.657 -11.114 83 H ARG 12 H ARG 12 7.848 -0.554 -11.624 84 HA ARG 12 HA ARG 12 6.419 0.026 -9.062 85 1HB ARG 12 1HB ARG 12 7.365 -2.724 -9.799 86 2HB ARG 12 2HB ARG 12 5.974 -2.251 -8.825 87 1HG ARG 12 1HG ARG 12 4.775 -1.507 -10.807 88 2HG ARG 12 2HG ARG 12 6.187 -1.816 -11.820 89 1HD ARG 12 1HD ARG 12 5.461 -4.167 -10.240 90 2HD ARG 12 2HD ARG 12 4.144 -3.642 -11.308 91 HE ARG 12 HE ARG 12 6.362 -3.437 -12.928 92 1HH1 ARG 12 1HH1 ARG 12 4.477 -5.853 -11.433 93 2HH1 ARG 12 2HH1 ARG 12 5.331 -7.178 -12.152 94 1HH2 ARG 12 1HH2 ARG 12 7.731 -5.167 -13.641 95 2HH2 ARG 12 2HH2 ARG 12 7.173 -6.789 -13.402 96 H ARG 13 H ARG 13 7.597 -1.554 -7.315 97 HA ARG 13 HA ARG 13 10.548 -1.150 -7.364 98 1HB ARG 13 1HB ARG 13 9.586 -0.893 -4.701 99 2HB ARG 13 2HB ARG 13 10.301 0.384 -5.681 100 1HG ARG 13 1HG ARG 13 7.390 -0.296 -5.984 101 2HG ARG 13 2HG ARG 13 7.918 0.715 -4.643 102 1HD ARG 13 1HD ARG 13 9.104 1.520 -7.213 103 2HD ARG 13 2HD ARG 13 7.335 1.657 -7.178 104 HE ARG 13 HE ARG 13 8.430 2.640 -4.712 105 1HH1 ARG 13 1HH1 ARG 13 7.019 3.493 -7.643 106 2HH1 ARG 13 2HH1 ARG 13 7.520 5.150 -7.601 107 1HH2 ARG 13 1HH2 ARG 13 9.550 4.740 -4.819 108 2HH2 ARG 13 2HH2 ARG 13 8.953 5.857 -6.002 109 H GLU 14 H GLU 14 11.251 -2.554 -5.178 110 HA GLU 14 HA GLU 14 9.359 -4.795 -4.847 111 1HB GLU 14 1HB GLU 14 12.174 -5.165 -5.966 112 2HB GLU 14 2HB GLU 14 11.015 -6.454 -5.643 113 1HG GLU 14 1HG GLU 14 9.432 -5.327 -7.249 114 2HG GLU 14 2HG GLU 14 10.740 -4.221 -7.671 115 H LEU 15 H LEU 15 9.349 -4.915 -2.635 116 HA LEU 15 HA LEU 15 11.879 -4.562 -1.080 117 1HB LEU 15 1HB LEU 15 8.980 -4.637 -0.227 118 2HB LEU 15 2HB LEU 15 10.335 -4.051 0.722 119 HG LEU 15 HG LEU 15 8.969 -2.830 -1.603 120 1HD1 LEU 15 1HD1 LEU 15 8.369 -2.294 0.737 121 2HD1 LEU 15 2HD1 LEU 15 10.048 -1.852 1.043 122 3HD1 LEU 15 3HD1 LEU 15 9.081 -0.909 -0.066 123 1HD2 LEU 15 1HD2 LEU 15 11.856 -2.617 -0.869 124 2HD2 LEU 15 2HD2 LEU 15 11.091 -2.534 -2.458 125 3HD2 LEU 15 3HD2 LEU 15 11.008 -1.153 -1.365 126 H ASP 16 H ASP 16 10.771 -5.707 1.218 127 HA ASP 16 HA ASP 16 10.118 -8.516 0.664 128 1HB ASP 16 1HB ASP 16 12.754 -7.716 0.956 129 2HB ASP 16 2HB ASP 16 12.318 -8.140 2.611 130 H VAL 17 H VAL 17 8.208 -7.180 1.643 131 HA VAL 17 HA VAL 17 8.384 -6.557 4.540 132 HB VAL 17 HB VAL 17 5.992 -6.697 2.640 133 1HG1 VAL 17 1HG1 VAL 17 6.102 -6.272 5.335 134 2HG1 VAL 17 2HG1 VAL 17 6.144 -4.619 4.705 135 3HG1 VAL 17 3HG1 VAL 17 4.812 -5.703 4.280 136 1HG2 VAL 17 1HG2 VAL 17 8.288 -5.054 2.415 137 2HG2 VAL 17 2HG2 VAL 17 6.754 -4.842 1.574 138 3HG2 VAL 17 3HG2 VAL 17 7.030 -4.038 3.114 139 H ALA 18 H ALA 18 8.344 -8.226 5.863 140 HA ALA 18 HA ALA 18 7.173 -10.832 5.127 141 1HB ALA 18 1HB ALA 18 8.875 -9.677 7.293 142 2HB ALA 18 2HB ALA 18 8.048 -11.209 7.590 143 3HB ALA 18 3HB ALA 18 9.194 -11.066 6.247 144 H ASP 19 H ASP 19 6.312 -11.876 7.349 145 HA ASP 19 HA ASP 19 3.681 -10.845 7.826 146 1HB ASP 19 1HB ASP 19 3.911 -12.545 9.724 147 2HB ASP 19 2HB ASP 19 4.199 -13.187 8.120 148 H GLY 20 H GLY 20 3.486 -8.899 8.782 149 1HA GLY 20 1HA GLY 20 3.466 -7.795 11.020 150 2HA GLY 20 2HA GLY 20 5.102 -8.406 11.249 151 H VAL 21 H VAL 21 5.520 -7.589 8.183 152 HA VAL 21 HA VAL 21 6.232 -4.810 8.952 153 HB VAL 21 HB VAL 21 7.037 -6.604 6.643 154 1HG1 VAL 21 1HG1 VAL 21 6.707 -3.902 6.411 155 2HG1 VAL 21 2HG1 VAL 21 8.390 -4.034 6.906 156 3HG1 VAL 21 3HG1 VAL 21 7.830 -4.870 5.460 157 1HG2 VAL 21 1HG2 VAL 21 8.622 -5.231 8.786 158 2HG2 VAL 21 2HG2 VAL 21 8.231 -6.954 8.758 159 3HG2 VAL 21 3HG2 VAL 21 9.272 -6.261 7.502 160 H SER 22 H SER 22 5.169 -3.150 8.002 161 HA SER 22 HA SER 22 2.872 -3.885 6.256 162 1HB SER 22 1HB SER 22 2.880 -1.123 6.690 163 2HB SER 22 2HB SER 22 1.996 -2.301 7.658 164 HG SER 22 HG SER 22 4.235 -0.847 8.251 165 H LEU 23 H LEU 23 2.863 -3.245 4.049 166 HA LEU 23 HA LEU 23 5.243 -2.877 2.643 167 1HB LEU 23 1HB LEU 23 2.405 -1.964 2.298 168 2HB LEU 23 2HB LEU 23 3.596 -1.647 1.065 169 HG LEU 23 HG LEU 23 2.578 -4.309 2.007 170 1HD1 LEU 23 1HD1 LEU 23 2.996 -3.034 -0.686 171 2HD1 LEU 23 2HD1 LEU 23 2.318 -4.639 -0.416 172 3HD1 LEU 23 3HD1 LEU 23 1.451 -3.210 0.148 173 1HD2 LEU 23 1HD2 LEU 23 5.161 -3.690 0.608 174 2HD2 LEU 23 2HD2 LEU 23 4.928 -4.657 2.061 175 3HD2 LEU 23 3HD2 LEU 23 4.384 -5.264 0.496 176 H MET 24 H MET 24 3.398 -0.650 4.546 177 HA MET 24 HA MET 24 4.576 1.778 3.590 178 1HB MET 24 1HB MET 24 2.631 2.180 4.681 179 2HB MET 24 2HB MET 24 2.799 0.722 5.645 180 1HG MET 24 1HG MET 24 3.035 2.306 7.313 181 2HG MET 24 2HG MET 24 4.717 2.234 6.810 182 1HE MET 24 1HE MET 24 5.792 3.811 6.981 183 2HE MET 24 2HE MET 24 5.864 5.080 5.758 184 3HE MET 24 3HE MET 24 5.204 5.427 7.365 185 H GLN 25 H GLN 25 5.437 -0.640 5.913 186 HA GLN 25 HA GLN 25 7.578 0.878 7.178 187 1HB GLN 25 1HB GLN 25 6.612 -0.848 8.455 188 2HB GLN 25 2HB GLN 25 6.563 -1.949 7.078 189 1HG GLN 25 1HG GLN 25 8.946 -2.281 7.158 190 2HG GLN 25 2HG GLN 25 9.146 -0.974 8.322 191 1HE2 GLN 25 2HE2 GLN 25 6.359 -2.451 9.344 192 2HE2 GLN 25 1HE2 GLN 25 7.017 -3.584 10.419 193 H ALA 26 H ALA 26 7.810 -2.216 5.256 194 HA ALA 26 HA ALA 26 10.506 -1.934 4.541 195 1HB ALA 26 1HB ALA 26 8.784 -3.783 4.076 196 2HB ALA 26 2HB ALA 26 8.354 -2.857 2.630 197 3HB ALA 26 3HB ALA 26 9.988 -3.493 2.816 198 H ALA 27 H ALA 27 7.735 -0.549 2.632 199 HA ALA 27 HA ALA 27 9.097 0.680 0.534 200 1HB ALA 27 1HB ALA 27 6.792 1.629 2.240 201 2HB ALA 27 2HB ALA 27 7.251 2.390 0.715 202 3HB ALA 27 3HB ALA 27 6.701 0.713 0.734 203 H VAL 28 H VAL 28 8.714 1.917 3.835 204 HA VAL 28 HA VAL 28 10.217 4.364 3.270 205 HB VAL 28 HB VAL 28 8.448 3.238 5.224 206 1HG1 VAL 28 1HG1 VAL 28 11.026 4.340 6.401 207 2HG1 VAL 28 2HG1 VAL 28 9.543 4.050 7.309 208 3HG1 VAL 28 3HG1 VAL 28 10.415 2.696 6.591 209 1HG2 VAL 28 1HG2 VAL 28 8.758 5.596 4.009 210 2HG2 VAL 28 2HG2 VAL 28 7.889 5.445 5.536 211 3HG2 VAL 28 3HG2 VAL 28 9.567 5.988 5.525 212 H SER 29 H SER 29 11.163 1.230 3.500 213 HA SER 29 HA SER 29 13.665 1.720 5.044 214 1HB SER 29 1HB SER 29 13.096 -0.361 5.731 215 2HB SER 29 2HB SER 29 11.760 -0.348 4.587 216 HG SER 29 HG SER 29 14.377 -1.331 4.294 217 H ASN 30 H ASN 30 12.371 0.909 1.919 218 HA ASN 30 HA ASN 30 15.045 0.518 0.698 219 1HB ASN 30 1HB ASN 30 12.843 0.265 -1.131 220 2HB ASN 30 2HB ASN 30 13.805 -1.034 -0.456 221 1HD2 ASN 30 2HD2 ASN 30 13.067 -1.960 1.657 222 2HD2 ASN 30 1HD2 ASN 30 11.438 -1.824 2.104 223 H GLY 31 H GLY 31 12.797 2.904 1.362 224 1HA GLY 31 1HA GLY 31 12.956 5.207 0.730 225 2HA GLY 31 2HA GLY 31 14.078 4.757 -0.554 226 H ILE 32 H ILE 32 10.951 3.208 -0.067 227 HA ILE 32 HA ILE 32 10.181 3.698 -2.814 228 HB ILE 32 HB ILE 32 9.015 2.425 -0.359 229 1HG1 ILE 32 1HG1 ILE 32 9.921 1.552 -3.104 230 2HG1 ILE 32 2HG1 ILE 32 10.601 1.105 -1.539 231 1HG2 ILE 32 1HG2 ILE 32 7.380 3.627 -2.326 232 2HG2 ILE 32 2HG2 ILE 32 7.405 1.900 -2.712 233 3HG2 ILE 32 3HG2 ILE 32 6.895 2.441 -1.109 234 1HD1 ILE 32 1HD1 ILE 32 8.111 0.241 -1.140 235 2HD1 ILE 32 2HD1 ILE 32 8.152 0.097 -2.897 236 3HD1 ILE 32 3HD1 ILE 32 9.330 -0.761 -1.912 237 H TYR 33 H TYR 33 8.824 4.766 0.259 238 HA TYR 33 HA TYR 33 7.227 6.851 -1.028 239 1HB TYR 33 1HB TYR 33 7.782 6.126 1.863 240 2HB TYR 33 2HB TYR 33 6.565 7.286 1.318 241 HD1 TYR 33 HD1 TYR 33 6.020 5.700 -1.331 242 HD2 TYR 33 HD2 TYR 33 6.094 4.597 2.820 243 HE1 TYR 33 HE1 TYR 33 4.495 3.856 -1.809 244 HE2 TYR 33 HE2 TYR 33 4.547 2.735 2.330 245 HH TYR 33 HH TYR 33 3.737 1.419 0.585 246 H ASP 34 H ASP 34 9.686 7.400 -1.800 247 HA ASP 34 HA ASP 34 11.522 8.815 -0.250 248 1HB ASP 34 1HB ASP 34 12.062 9.960 -2.386 249 2HB ASP 34 2HB ASP 34 11.762 8.239 -2.634 250 H ILE 35 H ILE 35 8.271 9.778 -1.064 251 HA ILE 35 HA ILE 35 8.561 12.628 -0.801 252 HB ILE 35 HB ILE 35 6.645 11.251 -1.773 253 1HG1 ILE 35 1HG1 ILE 35 5.275 12.972 0.167 254 2HG1 ILE 35 2HG1 ILE 35 6.672 13.755 -0.575 255 1HG2 ILE 35 1HG2 ILE 35 6.624 9.797 0.383 256 2HG2 ILE 35 2HG2 ILE 35 5.661 11.104 1.073 257 3HG2 ILE 35 3HG2 ILE 35 5.076 10.230 -0.343 258 1HD1 ILE 35 1HD1 ILE 35 5.191 12.300 -2.580 259 2HD1 ILE 35 2HD1 ILE 35 4.112 13.395 -1.716 260 3HD1 ILE 35 3HD1 ILE 35 5.556 14.024 -2.509 261 H VAL 36 H VAL 36 7.583 13.858 1.107 262 HA VAL 36 HA VAL 36 8.533 12.623 3.656 263 HB VAL 36 HB VAL 36 7.844 15.504 3.007 264 1HG1 VAL 36 1HG1 VAL 36 8.970 14.039 5.318 265 2HG1 VAL 36 2HG1 VAL 36 9.834 15.511 4.875 266 3HG1 VAL 36 3HG1 VAL 36 8.117 15.581 5.271 267 1HG2 VAL 36 1HG2 VAL 36 9.943 13.904 1.947 268 2HG2 VAL 36 2HG2 VAL 36 9.741 15.650 1.801 269 3HG2 VAL 36 3HG2 VAL 36 10.669 14.978 3.142 270 H GLY 37 H GLY 37 6.080 11.601 2.937 271 1HA GLY 37 1HA GLY 37 4.173 13.129 4.667 272 2HA GLY 37 2HA GLY 37 3.650 12.206 3.258 273 H ASP 38 H ASP 38 5.405 11.745 6.345 274 HA ASP 38 HA ASP 38 4.165 9.013 6.491 275 1HB ASP 38 1HB ASP 38 6.841 10.126 7.369 276 2HB ASP 38 2HB ASP 38 6.247 8.556 7.911 277 H CYS 39 H CYS 39 2.607 8.970 8.066 278 HA CYS 39 HA CYS 39 2.780 10.900 10.332 279 1HB CYS 39 1HB CYS 39 0.411 10.403 10.575 280 2HB CYS 39 2HB CYS 39 0.741 10.684 8.866 281 H GLY 40 H GLY 40 4.311 8.231 9.983 282 1HA GLY 40 1HA GLY 40 5.028 6.530 11.433 283 2HA GLY 40 2HA GLY 40 4.225 7.419 12.730 284 H GLY 41 H GLY 41 2.736 6.077 9.796 285 1HA GLY 41 1HA GLY 41 0.882 4.644 9.597 286 2HA GLY 41 2HA GLY 41 1.728 3.666 10.797 287 H SER 42 H SER 42 0.560 6.950 11.363 288 HA SER 42 HA SER 42 -1.180 5.868 13.535 289 1HB SER 42 1HB SER 42 -0.863 8.009 14.539 290 2HB SER 42 2HB SER 42 0.702 7.595 13.846 291 HG SER 42 HG SER 42 0.446 9.092 12.348 292 H ALA 43 H ALA 43 -1.642 6.421 10.409 293 HA ALA 43 HA ALA 43 -3.506 7.057 9.100 294 1HB ALA 43 1HB ALA 43 -4.326 5.678 11.319 295 2HB ALA 43 2HB ALA 43 -5.258 7.166 11.481 296 3HB ALA 43 3HB ALA 43 -5.407 6.186 10.022 297 H SER 44 H SER 44 -2.059 9.249 9.478 298 HA SER 44 HA SER 44 -4.051 11.341 10.268 299 1HB SER 44 1HB SER 44 -1.100 11.596 10.811 300 2HB SER 44 2HB SER 44 -2.441 12.426 11.598 301 HG SER 44 HG SER 44 -1.237 10.316 12.462 302 H CYS 45 H CYS 45 -2.380 10.073 7.771 303 HA CYS 45 HA CYS 45 -2.091 12.743 6.446 304 1HB CYS 45 1HB CYS 45 0.068 12.197 5.715 305 2HB CYS 45 2HB CYS 45 0.043 11.477 7.320 306 H ALA 46 H ALA 46 -1.617 12.102 3.912 307 HA ALA 46 HA ALA 46 -3.432 9.876 3.115 308 1HB ALA 46 1HB ALA 46 -4.677 12.058 3.376 309 2HB ALA 46 2HB ALA 46 -3.654 12.725 2.105 310 3HB ALA 46 3HB ALA 46 -4.746 11.388 1.747 311 H THR 47 H THR 47 -0.455 11.128 2.840 312 HA THR 47 HA THR 47 -0.089 11.201 -0.057 313 HB THR 47 HB THR 47 1.269 12.409 1.704 314 HG1 THR 47 HG1 THR 47 1.993 11.614 -0.515 315 1HG2 THR 47 1HG2 THR 47 1.526 9.711 2.664 316 2HG2 THR 47 2HG2 THR 47 3.128 10.352 2.297 317 3HG2 THR 47 3HG2 THR 47 2.074 11.207 3.423 318 H CYS 48 H CYS 48 -0.323 8.762 2.331 319 HA CYS 48 HA CYS 48 1.256 6.751 0.853 320 1HB CYS 48 1HB CYS 48 0.489 5.325 2.771 321 2HB CYS 48 2HB CYS 48 1.298 6.802 3.287 322 H HIS 49 H HIS 49 -1.259 8.016 -0.296 323 HA HIS 49 HA HIS 49 -3.370 6.030 -0.295 324 1HB HIS 49 1HB HIS 49 -3.856 8.321 -0.834 325 2HB HIS 49 2HB HIS 49 -2.561 8.385 -2.024 326 HD1 HIS 49 HD1 HIS 49 -5.203 5.686 -1.752 327 HD2 HIS 49 HD2 HIS 49 -4.053 8.684 -4.357 328 HE1 HIS 49 HE1 HIS 49 -6.628 5.403 -3.776 329 H VAL 50 H VAL 50 -3.361 4.099 -1.366 330 HA VAL 50 HA VAL 50 -1.962 3.909 -3.960 331 HB VAL 50 HB VAL 50 -0.236 2.585 -3.258 332 1HG1 VAL 50 1HG1 VAL 50 -0.142 4.493 -1.657 333 2HG1 VAL 50 2HG1 VAL 50 -1.072 3.534 -0.507 334 3HG1 VAL 50 3HG1 VAL 50 0.541 3.012 -0.988 335 1HG2 VAL 50 1HG2 VAL 50 -2.355 1.343 -1.519 336 2HG2 VAL 50 2HG2 VAL 50 -1.385 0.605 -2.806 337 3HG2 VAL 50 3HG2 VAL 50 -0.643 0.961 -1.231 338 H TYR 51 H TYR 51 -2.093 1.310 -4.453 339 HA TYR 51 HA TYR 51 -4.800 0.355 -3.693 340 1HB TYR 51 1HB TYR 51 -3.539 0.890 -6.352 341 2HB TYR 51 2HB TYR 51 -4.977 -0.088 -6.174 342 HD1 TYR 51 HD1 TYR 51 -7.025 0.890 -5.089 343 HD2 TYR 51 HD2 TYR 51 -3.619 3.283 -6.122 344 HE1 TYR 51 HE1 TYR 51 -8.386 2.935 -4.951 345 HE2 TYR 51 HE2 TYR 51 -5.015 5.308 -6.030 346 HH TYR 51 HH TYR 51 -7.255 5.990 -6.150 347 H VAL 52 H VAL 52 -4.301 -1.633 -2.798 348 HA VAL 52 HA VAL 52 -1.985 -3.175 -3.604 349 HB VAL 52 HB VAL 52 -4.370 -4.050 -1.947 350 1HG1 VAL 52 1HG1 VAL 52 -2.215 -5.468 -2.619 351 2HG1 VAL 52 2HG1 VAL 52 -1.573 -4.662 -1.189 352 3HG1 VAL 52 3HG1 VAL 52 -3.028 -5.659 -1.061 353 1HG2 VAL 52 1HG2 VAL 52 -3.685 -1.814 -1.133 354 2HG2 VAL 52 2HG2 VAL 52 -3.343 -3.086 0.042 355 3HG2 VAL 52 3HG2 VAL 52 -2.033 -2.409 -0.932 356 H ASN 53 H ASN 53 -2.016 -4.834 -5.181 357 HA ASN 53 HA ASN 53 -4.066 -5.279 -7.012 358 1HB ASN 53 1HB ASN 53 -3.130 -7.740 -6.867 359 2HB ASN 53 2HB ASN 53 -2.085 -6.451 -7.454 360 1HD2 ASN 53 2HD2 ASN 53 -2.919 -6.543 -4.060 361 2HD2 ASN 53 1HD2 ASN 53 -1.426 -7.107 -3.565 362 H GLU 54 H GLU 54 -5.770 -6.985 -7.065 363 HA GLU 54 HA GLU 54 -7.215 -7.193 -4.558 364 1HB GLU 54 1HB GLU 54 -8.613 -8.809 -6.058 365 2HB GLU 54 2HB GLU 54 -8.550 -7.103 -6.493 366 1HG GLU 54 1HG GLU 54 -7.274 -7.482 -8.355 367 2HG GLU 54 2HG GLU 54 -6.421 -8.844 -7.626 368 H ALA 55 H ALA 55 -4.485 -8.805 -5.539 369 HA ALA 55 HA ALA 55 -5.318 -11.434 -4.420 370 1HB ALA 55 1HB ALA 55 -3.518 -10.480 -6.446 371 2HB ALA 55 2HB ALA 55 -2.569 -11.344 -5.233 372 3HB ALA 55 3HB ALA 55 -3.913 -12.152 -6.045 373 H PHE 56 H PHE 56 -4.287 -8.619 -3.126 374 HA PHE 56 HA PHE 56 -2.941 -10.053 -0.878 375 1HB PHE 56 1HB PHE 56 -1.969 -7.536 -2.228 376 2HB PHE 56 2HB PHE 56 -1.272 -8.216 -0.774 377 HD1 PHE 56 HD1 PHE 56 -2.001 -9.030 -4.393 378 HD2 PHE 56 HD2 PHE 56 0.305 -9.962 -0.840 379 HE1 PHE 56 HE1 PHE 56 -0.653 -10.663 -5.668 380 HE2 PHE 56 HE2 PHE 56 1.551 -11.648 -2.103 381 HZ PHE 56 HZ PHE 56 1.110 -11.979 -4.540 382 H THR 57 H THR 57 -5.446 -8.228 -1.838 383 HA THR 57 HA THR 57 -5.433 -6.339 0.447 384 HB THR 57 HB THR 57 -7.487 -5.537 -0.605 385 HG1 THR 57 HG1 THR 57 -8.516 -7.401 -1.127 386 1HG2 THR 57 1HG2 THR 57 -5.037 -5.929 -2.090 387 2HG2 THR 57 2HG2 THR 57 -6.425 -5.892 -3.178 388 3HG2 THR 57 3HG2 THR 57 -6.127 -4.544 -2.083 389 H ASP 58 H ASP 58 -7.069 -9.237 -0.770 390 HA ASP 58 HA ASP 58 -8.660 -9.515 1.698 391 1HB ASP 58 1HB ASP 58 -10.132 -10.224 0.114 392 2HB ASP 58 2HB ASP 58 -8.872 -10.109 -1.113 393 H LYS 59 H LYS 59 -5.673 -10.388 0.683 394 HA LYS 59 HA LYS 59 -5.604 -13.085 1.944 395 1HB LYS 59 1HB LYS 59 -3.354 -11.526 0.726 396 2HB LYS 59 2HB LYS 59 -3.608 -13.277 0.729 397 1HG LYS 59 1HG LYS 59 -5.864 -12.300 -0.586 398 2HG LYS 59 2HG LYS 59 -4.566 -11.270 -1.194 399 1HD LYS 59 1HD LYS 59 -4.825 -13.297 -2.589 400 2HD LYS 59 2HD LYS 59 -3.260 -13.301 -1.776 401 1HE LYS 59 1HE LYS 59 -3.837 -15.394 -1.071 402 2HE LYS 59 2HE LYS 59 -4.925 -14.566 0.062 403 1HZ LYS 59 1HZ LYS 59 -6.627 -14.527 -1.656 404 2HZ LYS 59 2HZ LYS 59 -5.595 -15.348 -2.727 405 3HZ LYS 59 3HZ LYS 59 -6.153 -16.125 -1.327 406 H VAL 60 H VAL 60 -4.075 -9.975 1.929 407 HA VAL 60 HA VAL 60 -2.574 -10.328 4.378 408 HB VAL 60 HB VAL 60 -2.731 -8.815 1.992 409 1HG1 VAL 60 1HG1 VAL 60 -3.414 -7.150 4.255 410 2HG1 VAL 60 2HG1 VAL 60 -1.934 -6.631 3.469 411 3HG1 VAL 60 3HG1 VAL 60 -3.430 -6.776 2.538 412 1HG2 VAL 60 1HG2 VAL 60 -0.841 -9.506 4.042 413 2HG2 VAL 60 2HG2 VAL 60 -0.703 -9.498 2.280 414 3HG2 VAL 60 3HG2 VAL 60 -0.470 -8.000 3.195 415 HA PRO 61 HA PRO 61 -5.527 -8.725 7.159 416 1HB PRO 61 1HB PRO 61 -4.444 -6.555 8.438 417 2HB PRO 61 2HB PRO 61 -3.963 -8.235 8.752 418 1HG PRO 61 1HG PRO 61 -2.600 -6.141 7.170 419 2HG PRO 61 2HG PRO 61 -1.924 -7.450 8.147 420 1HD PRO 61 1HD PRO 61 -2.082 -7.461 5.406 421 2HD PRO 61 2HD PRO 61 -1.941 -8.911 6.378 422 H ALA 62 H ALA 62 -7.240 -8.050 6.177 423 HA ALA 62 HA ALA 62 -7.669 -5.876 4.454 424 1HB ALA 62 1HB ALA 62 -9.061 -8.025 5.759 425 2HB ALA 62 2HB ALA 62 -10.038 -6.559 5.858 426 3HB ALA 62 3HB ALA 62 -9.513 -7.162 4.286 427 H ALA 63 H ALA 63 -6.441 -4.359 5.821 428 HA ALA 63 HA ALA 63 -6.897 -3.241 8.268 429 1HB ALA 63 1HB ALA 63 -5.409 -2.425 6.394 430 2HB ALA 63 2HB ALA 63 -6.822 -1.644 5.684 431 3HB ALA 63 3HB ALA 63 -6.228 -1.127 7.263 432 H ASN 64 H ASN 64 -8.410 -1.692 9.169 433 HA ASN 64 HA ASN 64 -11.108 -1.807 7.879 434 1HB ASN 64 1HB ASN 64 -11.787 -1.267 10.309 435 2HB ASN 64 2HB ASN 64 -11.072 -2.843 10.009 436 1HD2 ASN 64 2HD2 ASN 64 -10.247 0.445 11.223 437 2HD2 ASN 64 1HD2 ASN 64 -8.914 -0.067 12.138 438 H GLU 65 H GLU 65 -12.301 0.211 9.415 439 HA GLU 65 HA GLU 65 -12.420 2.484 8.025 440 1HB GLU 65 1HB GLU 65 -12.740 3.677 10.221 441 2HB GLU 65 2HB GLU 65 -13.608 2.146 10.106 442 1HG GLU 65 1HG GLU 65 -12.010 1.019 11.464 443 2HG GLU 65 2HG GLU 65 -10.848 2.339 11.321 444 H ARG 66 H ARG 66 -9.594 1.728 10.076 445 HA ARG 66 HA ARG 66 -8.273 4.218 10.026 446 1HB ARG 66 1HB ARG 66 -7.622 1.336 10.220 447 2HB ARG 66 2HB ARG 66 -6.288 2.347 9.682 448 1HG ARG 66 1HG ARG 66 -7.882 2.624 12.235 449 2HG ARG 66 2HG ARG 66 -6.172 2.229 12.076 450 1HD ARG 66 1HD ARG 66 -5.909 4.515 10.920 451 2HD ARG 66 2HD ARG 66 -7.522 4.886 11.566 452 HE ARG 66 HE ARG 66 -6.090 3.780 13.706 453 1HH1 ARG 66 1HH1 ARG 66 -7.219 6.673 13.216 454 2HH1 ARG 66 2HH1 ARG 66 -5.817 7.600 13.633 455 1HH2 ARG 66 1HH2 ARG 66 -3.667 4.882 13.540 456 2HH2 ARG 66 2HH2 ARG 66 -3.806 6.586 13.817 457 H GLU 67 H GLU 67 -7.598 1.497 7.846 458 HA GLU 67 HA GLU 67 -6.323 3.034 5.804 459 1HB GLU 67 1HB GLU 67 -5.890 0.877 5.236 460 2HB GLU 67 2HB GLU 67 -7.048 0.342 6.449 461 1HG GLU 67 1HG GLU 67 -7.635 -0.573 4.252 462 2HG GLU 67 2HG GLU 67 -8.877 0.551 4.798 463 H ILE 68 H ILE 68 -9.661 1.791 6.067 464 HA ILE 68 HA ILE 68 -10.661 2.838 3.641 465 HB ILE 68 HB ILE 68 -11.722 1.985 6.297 466 1HG1 ILE 68 1HG1 ILE 68 -13.107 0.616 4.509 467 2HG1 ILE 68 2HG1 ILE 68 -11.823 1.153 3.416 468 1HG2 ILE 68 1HG2 ILE 68 -13.391 3.357 4.163 469 2HG2 ILE 68 2HG2 ILE 68 -14.052 2.435 5.515 470 3HG2 ILE 68 3HG2 ILE 68 -13.145 3.917 5.818 471 1HD1 ILE 68 1HD1 ILE 68 -10.674 0.234 5.902 472 2HD1 ILE 68 2HD1 ILE 68 -11.735 -1.010 5.243 473 3HD1 ILE 68 3HD1 ILE 68 -10.408 -0.378 4.268 474 H GLY 69 H GLY 69 -9.621 4.579 6.420 475 1HA GLY 69 1HA GLY 69 -11.391 6.882 5.850 476 2HA GLY 69 2HA GLY 69 -10.213 6.797 7.156 477 H MET 70 H MET 70 -7.882 6.965 6.521 478 HA MET 70 HA MET 70 -7.216 9.174 4.974 479 1HB MET 70 1HB MET 70 -4.989 7.856 4.669 480 2HB MET 70 2HB MET 70 -5.537 8.170 6.313 481 1HG MET 70 1HG MET 70 -6.765 5.741 5.466 482 2HG MET 70 2HG MET 70 -5.058 5.641 5.053 483 1HE MET 70 1HE MET 70 -4.768 3.892 6.151 484 2HE MET 70 2HE MET 70 -3.837 4.009 7.647 485 3HE MET 70 3HE MET 70 -5.513 3.453 7.700 486 H LEU 71 H LEU 71 -7.701 5.840 3.891 487 HA LEU 71 HA LEU 71 -7.008 6.176 1.107 488 1HB LEU 71 1HB LEU 71 -7.248 4.054 2.424 489 2HB LEU 71 2HB LEU 71 -8.968 4.369 2.505 490 HG LEU 71 HG LEU 71 -7.856 2.834 0.609 491 1HD1 LEU 71 1HD1 LEU 71 -10.324 4.513 0.762 492 2HD1 LEU 71 2HD1 LEU 71 -9.998 3.640 -0.735 493 3HD1 LEU 71 3HD1 LEU 71 -10.171 2.754 0.789 494 1HD2 LEU 71 1HD2 LEU 71 -8.083 5.606 -0.534 495 2HD2 LEU 71 2HD2 LEU 71 -6.622 4.640 -0.446 496 3HD2 LEU 71 3HD2 LEU 71 -7.937 4.150 -1.529 497 H GLU 72 H GLU 72 -10.131 6.186 2.851 498 HA GLU 72 HA GLU 72 -11.819 6.894 0.678 499 1HB GLU 72 1HB GLU 72 -12.890 6.219 2.645 500 2HB GLU 72 2HB GLU 72 -11.782 7.128 3.669 501 1HG GLU 72 1HG GLU 72 -13.139 8.908 3.715 502 2HG GLU 72 2HG GLU 72 -13.325 8.903 1.960 503 H CYS 73 H CYS 73 -9.501 8.737 2.514 504 HA CYS 73 HA CYS 73 -10.564 11.379 1.846 505 1HB CYS 73 1HB CYS 73 -8.622 10.161 3.557 506 2HB CYS 73 2HB CYS 73 -7.804 11.399 2.603 507 HG CYS 73 HG CYS 73 -10.377 12.535 3.660 508 H VAL 74 H VAL 74 -7.867 9.342 0.690 509 HA VAL 74 HA VAL 74 -6.454 10.934 -1.041 510 HB VAL 74 HB VAL 74 -6.091 8.952 -2.356 511 1HG1 VAL 74 1HG1 VAL 74 -5.537 8.959 0.193 512 2HG1 VAL 74 2HG1 VAL 74 -6.885 7.832 0.327 513 3HG1 VAL 74 3HG1 VAL 74 -5.491 7.421 -0.668 514 1HG2 VAL 74 1HG2 VAL 74 -8.896 8.595 -1.682 515 2HG2 VAL 74 2HG2 VAL 74 -7.984 7.945 -3.048 516 3HG2 VAL 74 3HG2 VAL 74 -7.964 7.100 -1.499 517 H THR 75 H THR 75 -6.712 11.394 -3.392 518 HA THR 75 HA THR 75 -9.575 11.775 -4.178 519 HB THR 75 HB THR 75 -7.055 13.414 -4.589 520 HG1 THR 75 HG1 THR 75 -7.848 14.574 -3.033 521 1HG2 THR 75 1HG2 THR 75 -9.630 13.388 -6.031 522 2HG2 THR 75 2HG2 THR 75 -9.051 14.978 -5.534 523 3HG2 THR 75 3HG2 THR 75 -8.044 13.952 -6.555 524 H ALA 76 H ALA 76 -7.665 9.478 -4.742 525 HA ALA 76 HA ALA 76 -7.358 9.893 -7.687 526 1HB ALA 76 1HB ALA 76 -5.665 9.001 -5.597 527 2HB ALA 76 2HB ALA 76 -5.957 7.613 -6.644 528 3HB ALA 76 3HB ALA 76 -5.290 9.104 -7.318 529 H GLU 77 H GLU 77 -7.020 7.406 -8.485 530 HA GLU 77 HA GLU 77 -9.528 6.383 -9.108 531 1HB GLU 77 1HB GLU 77 -8.030 5.570 -10.541 532 2HB GLU 77 2HB GLU 77 -6.730 5.918 -9.425 533 1HG GLU 77 1HG GLU 77 -6.904 3.734 -8.433 534 2HG GLU 77 2HG GLU 77 -8.432 3.423 -9.265 535 H LEU 78 H LEU 78 -10.199 6.471 -6.524 536 HA LEU 78 HA LEU 78 -9.200 4.396 -4.886 537 1HB LEU 78 1HB LEU 78 -10.847 6.386 -4.330 538 2HB LEU 78 2HB LEU 78 -12.053 5.091 -4.502 539 HG LEU 78 HG LEU 78 -9.948 3.874 -3.229 540 1HD1 LEU 78 1HD1 LEU 78 -10.015 6.686 -2.422 541 2HD1 LEU 78 2HD1 LEU 78 -9.830 5.469 -1.154 542 3HD1 LEU 78 3HD1 LEU 78 -8.679 5.529 -2.492 543 1HD2 LEU 78 1HD2 LEU 78 -12.648 4.304 -2.748 544 2HD2 LEU 78 2HD2 LEU 78 -11.562 3.146 -1.960 545 3HD2 LEU 78 3HD2 LEU 78 -11.806 4.757 -1.257 546 H LYS 79 H LYS 79 -9.977 2.442 -4.271 547 HA LYS 79 HA LYS 79 -11.445 0.918 -6.387 548 1HB LYS 79 1HB LYS 79 -8.830 0.958 -5.135 549 2HB LYS 79 2HB LYS 79 -9.574 -0.631 -4.975 550 1HG LYS 79 1HG LYS 79 -8.182 -0.379 -7.047 551 2HG LYS 79 2HG LYS 79 -9.855 -0.794 -7.375 552 1HD LYS 79 1HD LYS 79 -9.346 2.092 -7.212 553 2HD LYS 79 2HD LYS 79 -8.520 1.292 -8.545 554 1HE LYS 79 1HE LYS 79 -11.334 0.461 -8.183 555 2HE LYS 79 2HE LYS 79 -11.111 2.151 -8.674 556 1HZ LYS 79 1HZ LYS 79 -9.688 -0.122 -9.942 557 2HZ LYS 79 2HZ LYS 79 -11.131 0.529 -10.557 558 3HZ LYS 79 3HZ LYS 79 -9.730 1.488 -10.471 559 HA PRO 80 HA PRO 80 -13.483 -1.207 -3.029 560 1HB PRO 80 1HB PRO 80 -13.253 -3.834 -3.747 561 2HB PRO 80 2HB PRO 80 -14.321 -2.710 -4.610 562 1HG PRO 80 1HG PRO 80 -11.687 -3.799 -5.395 563 2HG PRO 80 2HG PRO 80 -13.054 -3.308 -6.402 564 1HD PRO 80 1HD PRO 80 -10.734 -1.825 -5.968 565 2HD PRO 80 2HD PRO 80 -12.261 -1.200 -6.625 566 H ASN 81 H ASN 81 -10.309 -2.253 -4.031 567 HA ASN 81 HA ASN 81 -9.664 -3.312 -1.313 568 1HB ASN 81 1HB ASN 81 -8.212 -4.734 -2.423 569 2HB ASN 81 2HB ASN 81 -9.333 -4.429 -3.747 570 1HD2 ASN 81 2HD2 ASN 81 -8.379 -3.640 -5.645 571 2HD2 ASN 81 1HD2 ASN 81 -6.847 -2.929 -5.742 572 H SER 82 H SER 82 -9.716 -0.405 -2.624 573 HA SER 82 HA SER 82 -7.236 0.823 -2.820 574 1HB SER 82 1HB SER 82 -9.924 1.468 -1.837 575 2HB SER 82 2HB SER 82 -8.643 2.507 -1.229 576 HG SER 82 HG SER 82 -8.263 3.218 -3.139 577 H ARG 83 H ARG 83 -5.641 1.524 -1.319 578 HA ARG 83 HA ARG 83 -6.104 1.160 1.541 579 1HB ARG 83 1HB ARG 83 -5.149 -0.992 -0.125 580 2HB ARG 83 2HB ARG 83 -3.953 -0.585 1.108 581 1HG ARG 83 1HG ARG 83 -5.377 -1.105 2.860 582 2HG ARG 83 2HG ARG 83 -6.828 -0.775 1.909 583 1HD ARG 83 1HD ARG 83 -6.733 -2.860 0.815 584 2HD ARG 83 2HD ARG 83 -5.018 -3.084 1.213 585 HE ARG 83 HE ARG 83 -6.524 -2.796 3.628 586 1HH1 ARG 83 1HH1 ARG 83 -7.918 -4.814 1.644 587 2HH1 ARG 83 2HH1 ARG 83 -7.320 -6.300 2.305 588 1HH2 ARG 83 1HH2 ARG 83 -4.884 -4.784 4.231 589 2HH2 ARG 83 2HH2 ARG 83 -5.611 -6.285 3.766 590 H LEU 84 H LEU 84 -4.409 1.886 2.830 591 HA LEU 84 HA LEU 84 -2.364 3.531 1.422 592 1HB LEU 84 1HB LEU 84 -3.394 3.535 4.284 593 2HB LEU 84 2HB LEU 84 -2.267 4.699 3.610 594 HG LEU 84 HG LEU 84 -5.171 4.673 3.488 595 1HD1 LEU 84 1HD1 LEU 84 -3.589 6.531 4.156 596 2HD1 LEU 84 2HD1 LEU 84 -3.204 6.721 2.446 597 3HD1 LEU 84 3HD1 LEU 84 -4.849 7.001 3.015 598 1HD2 LEU 84 1HD2 LEU 84 -3.672 4.605 0.873 599 2HD2 LEU 84 2HD2 LEU 84 -5.221 3.872 1.285 600 3HD2 LEU 84 3HD2 LEU 84 -5.106 5.611 1.040 601 H CYS 85 H CYS 85 -0.426 2.556 1.312 602 HA CYS 85 HA CYS 85 0.460 0.154 2.106 603 1HB CYS 85 1HB CYS 85 2.707 1.154 2.118 604 2HB CYS 85 2HB CYS 85 1.704 1.845 0.850 605 HG CYS 85 HG CYS 85 2.196 4.036 1.878 606 H CYS 86 H CYS 86 0.018 2.829 4.414 607 HA CYS 86 HA CYS 86 1.438 1.470 6.579 608 1HB CYS 86 1HB CYS 86 0.600 3.330 7.910 609 2HB CYS 86 2HB CYS 86 1.189 3.924 6.364 610 H GLN 87 H GLN 87 -1.275 0.493 5.097 611 HA GLN 87 HA GLN 87 -2.491 -0.481 7.662 612 1HB GLN 87 1HB GLN 87 -3.677 0.581 5.102 613 2HB GLN 87 2HB GLN 87 -4.619 -0.482 6.149 614 1HG GLN 87 1HG GLN 87 -3.362 2.166 6.923 615 2HG GLN 87 2HG GLN 87 -5.085 1.824 6.764 616 1HE2 GLN 87 2HE2 GLN 87 -2.246 1.311 8.812 617 2HE2 GLN 87 1HE2 GLN 87 -3.096 0.671 10.136 618 H ILE 88 H ILE 88 -0.632 -1.499 5.192 619 HA ILE 88 HA ILE 88 -2.088 -4.108 4.912 620 HB ILE 88 HB ILE 88 -0.522 -2.354 3.041 621 1HG1 ILE 88 1HG1 ILE 88 -3.052 -2.420 3.212 622 2HG1 ILE 88 2HG1 ILE 88 -2.398 -2.726 1.603 623 1HG2 ILE 88 1HG2 ILE 88 0.600 -4.583 2.983 624 2HG2 ILE 88 2HG2 ILE 88 -0.954 -5.324 2.612 625 3HG2 ILE 88 3HG2 ILE 88 -0.223 -4.197 1.472 626 1HD1 ILE 88 1HD1 ILE 88 -3.148 -4.899 3.571 627 2HD1 ILE 88 2HD1 ILE 88 -4.194 -4.341 2.268 628 3HD1 ILE 88 3HD1 ILE 88 -2.660 -5.119 1.891 629 H ILE 89 H ILE 89 -1.033 -5.752 6.013 630 HA ILE 89 HA ILE 89 1.900 -5.536 6.498 631 HB ILE 89 HB ILE 89 -0.218 -7.386 7.626 632 1HG1 ILE 89 1HG1 ILE 89 -0.890 -5.317 8.477 633 2HG1 ILE 89 2HG1 ILE 89 0.274 -5.821 9.700 634 1HG2 ILE 89 1HG2 ILE 89 2.652 -6.819 8.336 635 2HG2 ILE 89 2HG2 ILE 89 1.541 -7.624 9.441 636 3HG2 ILE 89 3HG2 ILE 89 1.935 -8.369 7.889 637 1HD1 ILE 89 1HD1 ILE 89 1.991 -4.585 8.094 638 2HD1 ILE 89 2HD1 ILE 89 0.539 -3.726 7.576 639 3HD1 ILE 89 3HD1 ILE 89 1.039 -3.674 9.269 640 H MET 90 H MET 90 3.258 -6.945 5.366 641 HA MET 90 HA MET 90 2.005 -8.761 3.457 642 1HB MET 90 1HB MET 90 4.799 -7.859 4.074 643 2HB MET 90 2HB MET 90 4.483 -9.120 2.885 644 1HG MET 90 1HG MET 90 3.830 -6.193 2.774 645 2HG MET 90 2HG MET 90 4.533 -7.219 1.539 646 1HE MET 90 1HE MET 90 2.800 -9.615 1.979 647 2HE MET 90 2HE MET 90 1.139 -9.529 1.369 648 3HE MET 90 3HE MET 90 2.503 -9.352 0.257 649 H THR 91 H THR 91 2.043 -11.000 3.562 650 HA THR 91 HA THR 91 3.187 -12.117 6.123 651 HB THR 91 HB THR 91 1.295 -13.299 6.410 652 HG1 THR 91 HG1 THR 91 0.510 -14.601 4.865 653 1HG2 THR 91 1HG2 THR 91 0.387 -11.397 4.256 654 2HG2 THR 91 2HG2 THR 91 -0.719 -12.406 5.182 655 3HG2 THR 91 3HG2 THR 91 0.259 -11.186 5.999 656 HA PRO 92 HA PRO 92 5.490 -14.922 3.790 657 1HB PRO 92 1HB PRO 92 5.066 -17.316 5.029 658 2HB PRO 92 2HB PRO 92 5.971 -16.006 5.787 659 1HG PRO 92 1HG PRO 92 3.293 -17.031 6.381 660 2HG PRO 92 2HG PRO 92 4.391 -16.088 7.394 661 1HD PRO 92 1HD PRO 92 2.116 -15.161 5.937 662 2HD PRO 92 2HD PRO 92 3.258 -14.204 6.909 663 H GLU 93 H GLU 93 2.121 -15.283 3.857 664 HA GLU 93 HA GLU 93 2.010 -17.469 1.861 665 1HB GLU 93 1HB GLU 93 -0.158 -17.641 2.623 666 2HB GLU 93 2HB GLU 93 0.521 -16.766 3.991 667 1HG GLU 93 1HG GLU 93 -0.226 -14.672 3.139 668 2HG GLU 93 2HG GLU 93 -0.723 -15.411 1.617 669 H LEU 94 H LEU 94 1.536 -14.054 2.264 670 HA LEU 94 HA LEU 94 0.707 -13.618 -0.519 671 1HB LEU 94 1HB LEU 94 1.112 -11.931 1.945 672 2HB LEU 94 2HB LEU 94 0.692 -11.221 0.399 673 HG LEU 94 HG LEU 94 -0.840 -13.543 1.517 674 1HD1 LEU 94 1HD1 LEU 94 -0.757 -11.228 2.878 675 2HD1 LEU 94 2HD1 LEU 94 -1.948 -10.787 1.660 676 3HD1 LEU 94 3HD1 LEU 94 -2.230 -12.173 2.716 677 1HD2 LEU 94 1HD2 LEU 94 -0.648 -12.479 -0.928 678 2HD2 LEU 94 2HD2 LEU 94 -2.147 -13.190 -0.304 679 3HD2 LEU 94 3HD2 LEU 94 -1.905 -11.445 -0.258 680 H ASP 95 H ASP 95 3.467 -14.620 -0.012 681 HA ASP 95 HA ASP 95 5.307 -12.457 -0.317 682 1HB ASP 95 1HB ASP 95 6.795 -14.301 -1.171 683 2HB ASP 95 2HB ASP 95 5.970 -14.735 0.326 684 H GLY 96 H GLY 96 4.978 -10.977 -2.010 685 1HA GLY 96 1HA GLY 96 5.541 -10.851 -4.499 686 2HA GLY 96 2HA GLY 96 4.369 -12.150 -4.708 687 H ILE 97 H ILE 97 3.724 -9.665 -2.402 688 HA ILE 97 HA ILE 97 1.203 -8.942 -3.412 689 HB ILE 97 HB ILE 97 1.604 -8.479 -1.137 690 1HG1 ILE 97 1HG1 ILE 97 1.344 -6.170 -0.808 691 2HG1 ILE 97 2HG1 ILE 97 2.360 -5.760 -2.194 692 1HG2 ILE 97 1HG2 ILE 97 4.268 -7.939 -2.142 693 2HG2 ILE 97 2HG2 ILE 97 3.787 -6.796 -0.892 694 3HG2 ILE 97 3HG2 ILE 97 3.761 -8.534 -0.570 695 1HD1 ILE 97 1HD1 ILE 97 0.219 -7.416 -3.052 696 2HD1 ILE 97 2HD1 ILE 97 -0.447 -6.069 -2.126 697 3HD1 ILE 97 3HD1 ILE 97 0.578 -5.756 -3.528 698 H VAL 98 H VAL 98 0.541 -7.478 -4.887 699 HA VAL 98 HA VAL 98 2.643 -5.829 -6.236 700 HB VAL 98 HB VAL 98 -0.058 -6.590 -7.351 701 1HG1 VAL 98 1HG1 VAL 98 2.235 -5.195 -8.285 702 2HG1 VAL 98 2HG1 VAL 98 2.145 -6.706 -9.191 703 3HG1 VAL 98 3HG1 VAL 98 0.772 -5.599 -9.185 704 1HG2 VAL 98 1HG2 VAL 98 2.395 -8.337 -7.066 705 2HG2 VAL 98 2HG2 VAL 98 0.705 -8.774 -6.793 706 3HG2 VAL 98 3HG2 VAL 98 1.310 -8.551 -8.437 707 H VAL 99 H VAL 99 2.438 -3.713 -5.464 708 HA VAL 99 HA VAL 99 -0.291 -2.830 -4.623 709 HB VAL 99 HB VAL 99 2.023 -1.008 -4.277 710 1HG1 VAL 99 1HG1 VAL 99 -0.456 -1.970 -2.985 711 2HG1 VAL 99 2HG1 VAL 99 0.853 -1.585 -1.855 712 3HG1 VAL 99 3HG1 VAL 99 0.263 -0.353 -2.972 713 1HG2 VAL 99 1HG2 VAL 99 1.928 -3.682 -2.834 714 2HG2 VAL 99 2HG2 VAL 99 3.202 -3.146 -3.930 715 3HG2 VAL 99 3HG2 VAL 99 2.957 -2.314 -2.395 716 H ASP 100 H ASP 100 -1.088 -0.788 -5.366 717 HA ASP 100 HA ASP 100 0.033 0.029 -8.022 718 1HB ASP 100 1HB ASP 100 -2.539 -0.923 -7.112 719 2HB ASP 100 2HB ASP 100 -2.692 0.633 -7.927 720 H VAL 101 H VAL 101 0.790 2.040 -7.928 721 HA VAL 101 HA VAL 101 -0.192 3.863 -5.807 722 HB VAL 101 HB VAL 101 2.182 3.837 -7.682 723 1HG1 VAL 101 1HG1 VAL 101 1.350 6.145 -7.113 724 2HG1 VAL 101 2HG1 VAL 101 1.637 5.761 -5.417 725 3HG1 VAL 101 3HG1 VAL 101 2.986 5.801 -6.553 726 1HG2 VAL 101 1HG2 VAL 101 2.087 2.195 -5.762 727 2HG2 VAL 101 2HG2 VAL 101 3.450 3.313 -5.695 728 3HG2 VAL 101 3HG2 VAL 101 2.041 3.578 -4.667 729 HA PRO 102 HA PRO 102 -2.581 5.881 -9.004 730 1HB PRO 102 1HB PRO 102 -3.722 7.717 -7.344 731 2HB PRO 102 2HB PRO 102 -4.222 6.019 -7.388 732 1HG PRO 102 1HG PRO 102 -2.475 7.409 -5.433 733 2HG PRO 102 2HG PRO 102 -3.696 6.159 -5.167 734 1HD PRO 102 1HD PRO 102 -1.018 5.669 -5.227 735 2HD PRO 102 2HD PRO 102 -2.265 4.468 -5.626 736 H ASP 103 H ASP 103 -2.927 8.245 -9.644 737 HA ASP 103 HA ASP 103 -0.331 9.675 -9.600 738 1HB ASP 103 1HB ASP 103 -2.275 9.155 -11.495 739 2HB ASP 103 2HB ASP 103 -2.630 10.822 -11.040 740 H ARG 104 H ARG 104 -3.439 9.756 -8.095 741 HA ARG 104 HA ARG 104 -2.983 12.548 -7.111 742 1HB ARG 104 1HB ARG 104 -5.545 10.987 -6.803 743 2HB ARG 104 2HB ARG 104 -5.329 12.729 -6.934 744 1HG ARG 104 1HG ARG 104 -4.422 11.329 -9.340 745 2HG ARG 104 2HG ARG 104 -6.119 11.023 -8.981 746 1HD ARG 104 1HD ARG 104 -5.731 13.073 -10.412 747 2HD ARG 104 2HD ARG 104 -6.575 13.423 -8.888 748 HE ARG 104 HE ARG 104 -3.784 13.555 -8.394 749 1HH1 ARG 104 1HH1 ARG 104 -3.830 14.956 -11.043 750 2HH1 ARG 104 2HH1 ARG 104 -4.132 16.598 -10.580 751 1HH2 ARG 104 1HH2 ARG 104 -5.223 15.779 -7.393 752 2HH2 ARG 104 2HH2 ARG 104 -4.920 17.063 -8.514 753 H GLN 105 H GLN 105 -1.347 11.300 -5.695 754 HA GLN 105 HA GLN 105 -2.667 9.662 -3.625 755 1HB GLN 105 1HB GLN 105 0.277 10.306 -3.909 756 2HB GLN 105 2HB GLN 105 -0.458 8.888 -3.163 757 1HG GLN 105 1HG GLN 105 -0.291 7.818 -5.134 758 2HG GLN 105 2HG GLN 105 -1.432 8.976 -5.819 759 1HE2 GLN 105 2HE2 GLN 105 1.988 8.146 -5.566 760 2HE2 GLN 105 1HE2 GLN 105 2.538 9.297 -6.685 761 H TRP 106 H TRP 106 -3.529 12.191 -3.253 762 HA TRP 106 HA TRP 106 -1.788 13.900 -1.678 763 1HB TRP 106 1HB TRP 106 -3.635 15.307 -1.697 764 2HB TRP 106 2HB TRP 106 -4.051 14.270 -3.065 765 HD1 TRP 106 HD1 TRP 106 -6.297 12.997 -2.867 766 HE1 TRP 106 HE1 TRP 106 -7.981 12.557 -0.947 767 HE3 TRP 106 HE3 TRP 106 -3.693 15.025 0.959 768 HZ2 TRP 106 HZ2 TRP 106 -8.175 13.080 1.887 769 HZ3 TRP 106 HZ3 TRP 106 -4.614 15.075 3.250 770 HH2 TRP 106 HH2 TRP 106 -6.853 14.102 3.731 Start of MODEL 7 1 3H SER 1 3H SER 1 7.382 -12.321 3.997 2 1H SER 1 1H SER 1 8.457 -11.185 3.331 3 2H SER 1 2H SER 1 6.823 -10.780 3.562 4 HA SER 1 HA SER 1 7.507 -13.062 1.822 5 1HB SER 1 1HB SER 1 5.244 -11.446 2.647 6 2HB SER 1 2HB SER 1 5.374 -11.511 0.909 7 HG SER 1 HG SER 1 4.180 -13.280 1.854 8 H LYS 2 H LYS 2 6.547 -11.890 -0.475 9 HA LYS 2 HA LYS 2 8.706 -10.026 -1.249 10 1HB LYS 2 1HB LYS 2 6.992 -12.099 -2.489 11 2HB LYS 2 2HB LYS 2 7.388 -10.716 -3.509 12 1HG LYS 2 1HG LYS 2 9.517 -12.027 -1.902 13 2HG LYS 2 2HG LYS 2 9.003 -12.754 -3.420 14 1HD LYS 2 1HD LYS 2 10.066 -11.169 -4.642 15 2HD LYS 2 2HD LYS 2 9.404 -9.872 -3.648 16 1HE LYS 2 1HE LYS 2 11.134 -10.635 -1.862 17 2HE LYS 2 2HE LYS 2 11.935 -11.457 -3.217 18 1HZ LYS 2 1HZ LYS 2 11.000 -8.727 -3.667 19 2HZ LYS 2 2HZ LYS 2 12.373 -8.912 -2.682 20 3HZ LYS 2 3HZ LYS 2 12.382 -9.511 -4.269 21 H VAL 3 H VAL 3 8.168 -8.077 -2.257 22 HA VAL 3 HA VAL 3 5.351 -7.281 -2.358 23 HB VAL 3 HB VAL 3 7.646 -6.137 -0.846 24 1HG1 VAL 3 1HG1 VAL 3 6.389 -4.336 -2.217 25 2HG1 VAL 3 2HG1 VAL 3 4.979 -4.724 -1.171 26 3HG1 VAL 3 3HG1 VAL 3 6.478 -4.101 -0.460 27 1HG2 VAL 3 1HG2 VAL 3 4.856 -7.053 -0.255 28 2HG2 VAL 3 2HG2 VAL 3 6.350 -7.851 0.198 29 3HG2 VAL 3 3HG2 VAL 3 5.894 -6.317 0.951 30 H VAL 4 H VAL 4 4.872 -5.942 -4.059 31 HA VAL 4 HA VAL 4 7.146 -4.631 -5.445 32 HB VAL 4 HB VAL 4 5.133 -6.447 -6.760 33 1HG1 VAL 4 1HG1 VAL 4 6.849 -4.387 -7.789 34 2HG1 VAL 4 2HG1 VAL 4 7.391 -5.954 -8.391 35 3HG1 VAL 4 3HG1 VAL 4 5.732 -5.426 -8.674 36 1HG2 VAL 4 1HG2 VAL 4 8.082 -6.816 -6.202 37 2HG2 VAL 4 2HG2 VAL 4 6.765 -7.672 -5.397 38 3HG2 VAL 4 3HG2 VAL 4 7.069 -7.937 -7.114 39 H TYR 5 H TYR 5 6.210 -2.636 -4.713 40 HA TYR 5 HA TYR 5 3.488 -1.839 -5.129 41 1HB TYR 5 1HB TYR 5 5.998 -0.151 -4.967 42 2HB TYR 5 2HB TYR 5 4.365 0.373 -4.609 43 HD1 TYR 5 HD1 TYR 5 7.107 -1.934 -3.446 44 HD2 TYR 5 HD2 TYR 5 3.400 0.053 -2.492 45 HE1 TYR 5 HE1 TYR 5 7.408 -2.527 -1.131 46 HE2 TYR 5 HE2 TYR 5 3.716 -0.563 -0.127 47 HH TYR 5 HH TYR 5 6.438 -2.641 0.876 48 H VAL 6 H VAL 6 2.741 -0.340 -6.753 49 HA VAL 6 HA VAL 6 4.426 -0.320 -9.222 50 HB VAL 6 HB VAL 6 1.432 -0.549 -8.843 51 1HG1 VAL 6 1HG1 VAL 6 3.118 -0.530 -11.345 52 2HG1 VAL 6 2HG1 VAL 6 1.386 -0.850 -11.286 53 3HG1 VAL 6 3HG1 VAL 6 2.006 0.738 -10.835 54 1HG2 VAL 6 1HG2 VAL 6 3.585 -2.485 -9.715 55 2HG2 VAL 6 2HG2 VAL 6 2.534 -2.632 -8.296 56 3HG2 VAL 6 3HG2 VAL 6 1.861 -2.791 -9.927 57 H SER 7 H SER 7 3.715 1.580 -10.688 58 HA SER 7 HA SER 7 3.318 3.983 -8.961 59 1HB SER 7 1HB SER 7 4.636 5.108 -10.558 60 2HB SER 7 2HB SER 7 5.339 3.495 -10.542 61 HG SER 7 HG SER 7 4.448 4.723 -12.613 62 H HIS 8 H HIS 8 2.640 5.648 -11.204 63 HA HIS 8 HA HIS 8 -0.225 4.914 -11.491 64 1HB HIS 8 1HB HIS 8 0.752 7.380 -12.784 65 2HB HIS 8 2HB HIS 8 -0.542 7.180 -11.616 66 HD1 HIS 8 HD1 HIS 8 1.123 6.016 -9.268 67 HD2 HIS 8 HD2 HIS 8 2.297 9.321 -11.510 68 HE1 HIS 8 HE1 HIS 8 2.702 7.350 -7.803 69 H ASP 9 H ASP 9 2.759 5.247 -13.249 70 HA ASP 9 HA ASP 9 1.484 4.711 -15.867 71 1HB ASP 9 1HB ASP 9 3.673 5.227 -16.731 72 2HB ASP 9 2HB ASP 9 3.374 6.373 -15.423 73 H GLY 10 H GLY 10 2.753 2.996 -13.233 74 1HA GLY 10 1HA GLY 10 2.429 0.524 -13.289 75 2HA GLY 10 2HA GLY 10 3.076 0.555 -14.929 76 H THR 11 H THR 11 4.997 2.725 -13.343 77 HA THR 11 HA THR 11 7.220 0.950 -13.265 78 HB THR 11 HB THR 11 6.647 3.735 -12.891 79 HG1 THR 11 HG1 THR 11 8.110 2.578 -14.334 80 1HG2 THR 11 1HG2 THR 11 8.283 2.382 -10.766 81 2HG2 THR 11 2HG2 THR 11 8.713 4.013 -11.290 82 3HG2 THR 11 3HG2 THR 11 7.127 3.709 -10.581 83 H ARG 12 H ARG 12 7.805 -0.396 -11.681 84 HA ARG 12 HA ARG 12 6.358 -0.247 -9.065 85 1HB ARG 12 1HB ARG 12 7.442 -2.781 -10.280 86 2HB ARG 12 2HB ARG 12 6.105 -2.587 -9.150 87 1HG ARG 12 1HG ARG 12 4.847 -2.858 -11.040 88 2HG ARG 12 2HG ARG 12 5.158 -1.132 -11.225 89 1HD ARG 12 1HD ARG 12 6.750 -1.460 -12.896 90 2HD ARG 12 2HD ARG 12 7.156 -3.092 -12.327 91 HE ARG 12 HE ARG 12 4.423 -3.118 -13.079 92 1HH1 ARG 12 1HH1 ARG 12 7.281 -2.103 -14.659 93 2HH1 ARG 12 2HH1 ARG 12 6.957 -2.973 -16.120 94 1HH2 ARG 12 1HH2 ARG 12 4.101 -4.505 -14.887 95 2HH2 ARG 12 2HH2 ARG 12 5.156 -4.334 -16.250 96 H ARG 13 H ARG 13 7.500 -1.648 -7.368 97 HA ARG 13 HA ARG 13 10.470 -1.422 -7.425 98 1HB ARG 13 1HB ARG 13 9.541 -1.125 -4.759 99 2HB ARG 13 2HB ARG 13 10.312 0.119 -5.736 100 1HG ARG 13 1HG ARG 13 7.378 -0.380 -6.072 101 2HG ARG 13 2HG ARG 13 7.929 0.514 -4.661 102 1HD ARG 13 1HD ARG 13 8.916 1.264 -7.411 103 2HD ARG 13 2HD ARG 13 7.365 1.878 -6.807 104 HE ARG 13 HE ARG 13 9.515 2.147 -4.859 105 1HH1 ARG 13 1HH1 ARG 13 7.847 3.523 -7.552 106 2HH1 ARG 13 2HH1 ARG 13 8.385 5.136 -7.225 107 1HH2 ARG 13 1HH2 ARG 13 10.267 4.240 -4.457 108 2HH2 ARG 13 2HH2 ARG 13 9.753 5.542 -5.477 109 H GLU 14 H GLU 14 11.127 -2.910 -5.307 110 HA GLU 14 HA GLU 14 9.090 -5.018 -4.954 111 1HB GLU 14 1HB GLU 14 11.826 -5.505 -6.210 112 2HB GLU 14 2HB GLU 14 10.666 -6.766 -5.791 113 1HG GLU 14 1HG GLU 14 8.995 -5.585 -7.287 114 2HG GLU 14 2HG GLU 14 10.322 -4.560 -7.836 115 H LEU 15 H LEU 15 9.126 -5.039 -2.740 116 HA LEU 15 HA LEU 15 11.688 -4.891 -1.235 117 1HB LEU 15 1HB LEU 15 8.765 -4.892 -0.438 118 2HB LEU 15 2HB LEU 15 10.099 -4.616 0.663 119 HG LEU 15 HG LEU 15 8.929 -2.872 -1.397 120 1HD1 LEU 15 1HD1 LEU 15 8.686 -2.842 1.183 121 2HD1 LEU 15 2HD1 LEU 15 10.317 -2.184 1.171 122 3HD1 LEU 15 3HD1 LEU 15 9.008 -1.316 0.377 123 1HD2 LEU 15 1HD2 LEU 15 11.835 -3.098 -0.779 124 2HD2 LEU 15 2HD2 LEU 15 11.035 -2.742 -2.309 125 3HD2 LEU 15 3HD2 LEU 15 11.142 -1.506 -1.061 126 H ASP 16 H ASP 16 10.972 -6.154 0.979 127 HA ASP 16 HA ASP 16 10.078 -8.914 0.415 128 1HB ASP 16 1HB ASP 16 12.617 -8.701 0.171 129 2HB ASP 16 2HB ASP 16 12.666 -8.202 1.863 130 H VAL 17 H VAL 17 8.336 -7.486 1.562 131 HA VAL 17 HA VAL 17 8.883 -6.882 4.419 132 HB VAL 17 HB VAL 17 6.177 -6.687 3.127 133 1HG1 VAL 17 1HG1 VAL 17 7.671 -5.621 5.307 134 2HG1 VAL 17 2HG1 VAL 17 7.092 -4.311 4.276 135 3HG1 VAL 17 3HG1 VAL 17 5.945 -5.469 4.959 136 1HG2 VAL 17 1HG2 VAL 17 8.605 -5.019 2.384 137 2HG2 VAL 17 2HG2 VAL 17 7.581 -5.914 1.276 138 3HG2 VAL 17 3HG2 VAL 17 6.949 -4.492 2.098 139 H ALA 18 H ALA 18 8.545 -8.282 5.966 140 HA ALA 18 HA ALA 18 7.345 -10.915 5.414 141 1HB ALA 18 1HB ALA 18 8.691 -9.593 7.763 142 2HB ALA 18 2HB ALA 18 8.073 -11.246 7.822 143 3HB ALA 18 3HB ALA 18 9.368 -10.825 6.687 144 H ASP 19 H ASP 19 6.234 -11.816 7.449 145 HA ASP 19 HA ASP 19 3.617 -10.724 7.737 146 1HB ASP 19 1HB ASP 19 3.676 -12.420 9.654 147 2HB ASP 19 2HB ASP 19 4.042 -13.069 8.068 148 H GLY 20 H GLY 20 3.199 -8.918 8.811 149 1HA GLY 20 1HA GLY 20 3.056 -7.869 11.057 150 2HA GLY 20 2HA GLY 20 4.734 -8.346 11.301 151 H VAL 21 H VAL 21 5.329 -7.447 8.351 152 HA VAL 21 HA VAL 21 5.812 -4.659 9.189 153 HB VAL 21 HB VAL 21 6.474 -6.111 6.627 154 1HG1 VAL 21 1HG1 VAL 21 7.180 -3.422 7.754 155 2HG1 VAL 21 2HG1 VAL 21 8.129 -4.192 6.478 156 3HG1 VAL 21 3HG1 VAL 21 6.432 -3.808 6.201 157 1HG2 VAL 21 1HG2 VAL 21 7.583 -6.915 8.810 158 2HG2 VAL 21 2HG2 VAL 21 8.639 -6.476 7.451 159 3HG2 VAL 21 3HG2 VAL 21 8.393 -5.346 8.795 160 H SER 22 H SER 22 5.043 -2.906 8.057 161 HA SER 22 HA SER 22 2.603 -3.400 6.401 162 1HB SER 22 1HB SER 22 2.612 -0.759 6.726 163 2HB SER 22 2HB SER 22 2.119 -1.800 8.059 164 HG SER 22 HG SER 22 4.061 -0.056 8.051 165 H LEU 23 H LEU 23 2.824 -3.185 4.170 166 HA LEU 23 HA LEU 23 5.180 -3.030 2.788 167 1HB LEU 23 1HB LEU 23 2.440 -1.926 2.284 168 2HB LEU 23 2HB LEU 23 3.691 -1.780 1.077 169 HG LEU 23 HG LEU 23 2.467 -4.293 2.160 170 1HD1 LEU 23 1HD1 LEU 23 2.960 -3.169 -0.579 171 2HD1 LEU 23 2HD1 LEU 23 2.328 -4.788 -0.276 172 3HD1 LEU 23 3HD1 LEU 23 1.407 -3.373 0.231 173 1HD2 LEU 23 1HD2 LEU 23 5.130 -3.973 0.807 174 2HD2 LEU 23 2HD2 LEU 23 4.780 -4.789 2.333 175 3HD2 LEU 23 3HD2 LEU 23 4.232 -5.488 0.808 176 H MET 24 H MET 24 3.478 -0.324 4.262 177 HA MET 24 HA MET 24 5.086 1.669 2.974 178 1HB MET 24 1HB MET 24 3.264 2.704 3.837 179 2HB MET 24 2HB MET 24 3.003 1.392 4.981 180 1HG MET 24 1HG MET 24 3.457 3.569 6.125 181 2HG MET 24 2HG MET 24 4.698 2.369 6.491 182 1HE MET 24 1HE MET 24 3.912 5.511 6.082 183 2HE MET 24 2HE MET 24 5.543 5.865 6.650 184 3HE MET 24 3HE MET 24 5.016 6.427 5.058 185 H GLN 25 H GLN 25 5.362 -0.124 6.000 186 HA GLN 25 HA GLN 25 7.622 1.223 7.082 187 1HB GLN 25 1HB GLN 25 6.541 -0.372 8.440 188 2HB GLN 25 2HB GLN 25 6.461 -1.551 7.131 189 1HG GLN 25 1HG GLN 25 8.636 -2.269 7.459 190 2HG GLN 25 2HG GLN 25 9.166 -0.707 8.084 191 1HE2 GLN 25 2HE2 GLN 25 6.215 -2.146 9.346 192 2HE2 GLN 25 1HE2 GLN 25 6.846 -2.569 10.864 193 H ALA 26 H ALA 26 7.660 -1.904 5.264 194 HA ALA 26 HA ALA 26 10.416 -1.955 4.684 195 1HB ALA 26 1HB ALA 26 7.996 -2.842 3.087 196 2HB ALA 26 2HB ALA 26 9.645 -3.340 2.711 197 3HB ALA 26 3HB ALA 26 8.914 -3.805 4.250 198 H ALA 27 H ALA 27 7.890 -0.617 2.466 199 HA ALA 27 HA ALA 27 9.457 0.407 0.413 200 1HB ALA 27 1HB ALA 27 6.929 0.422 0.786 201 2HB ALA 27 2HB ALA 27 7.181 1.908 1.702 202 3HB ALA 27 3HB ALA 27 7.608 1.844 -0.009 203 H VAL 28 H VAL 28 8.805 1.944 3.546 204 HA VAL 28 HA VAL 28 10.402 4.313 2.909 205 HB VAL 28 HB VAL 28 8.458 3.385 4.799 206 1HG1 VAL 28 1HG1 VAL 28 10.949 4.545 6.092 207 2HG1 VAL 28 2HG1 VAL 28 9.388 4.353 6.890 208 3HG1 VAL 28 3HG1 VAL 28 10.291 2.932 6.365 209 1HG2 VAL 28 1HG2 VAL 28 8.777 5.586 3.427 210 2HG2 VAL 28 2HG2 VAL 28 7.982 5.653 5.000 211 3HG2 VAL 28 3HG2 VAL 28 9.674 6.129 4.845 212 H SER 29 H SER 29 11.242 1.186 3.507 213 HA SER 29 HA SER 29 13.641 1.777 5.175 214 1HB SER 29 1HB SER 29 12.964 -0.206 6.025 215 2HB SER 29 2HB SER 29 11.715 -0.283 4.790 216 HG SER 29 HG SER 29 13.093 -2.059 4.591 217 H ASN 30 H ASN 30 12.558 0.687 2.047 218 HA ASN 30 HA ASN 30 15.305 0.101 1.093 219 1HB ASN 30 1HB ASN 30 13.229 -0.283 -0.868 220 2HB ASN 30 2HB ASN 30 14.110 -1.526 0.000 221 1HD2 ASN 30 2HD2 ASN 30 13.210 -2.217 2.143 222 2HD2 ASN 30 1HD2 ASN 30 11.555 -2.020 2.451 223 H GLY 31 H GLY 31 13.199 2.646 1.412 224 1HA GLY 31 1HA GLY 31 13.502 4.858 0.566 225 2HA GLY 31 2HA GLY 31 14.659 4.229 -0.606 226 H ILE 32 H ILE 32 11.548 2.700 -0.282 227 HA ILE 32 HA ILE 32 10.917 3.170 -3.067 228 HB ILE 32 HB ILE 32 9.617 1.904 -0.675 229 1HG1 ILE 32 1HG1 ILE 32 10.754 0.997 -3.323 230 2HG1 ILE 32 2HG1 ILE 32 11.320 0.597 -1.699 231 1HG2 ILE 32 1HG2 ILE 32 7.881 3.060 -2.187 232 2HG2 ILE 32 2HG2 ILE 32 8.354 1.888 -3.419 233 3HG2 ILE 32 3HG2 ILE 32 7.666 1.332 -1.891 234 1HD1 ILE 32 1HD1 ILE 32 8.579 -0.172 -2.716 235 2HD1 ILE 32 2HD1 ILE 32 9.988 -1.222 -2.859 236 3HD1 ILE 32 3HD1 ILE 32 9.402 -0.747 -1.265 237 H TYR 33 H TYR 33 9.455 4.218 -0.049 238 HA TYR 33 HA TYR 33 7.723 6.177 -1.356 239 1HB TYR 33 1HB TYR 33 8.386 5.427 1.497 240 2HB TYR 33 2HB TYR 33 7.238 6.703 1.086 241 HD1 TYR 33 HD1 TYR 33 6.956 4.643 -1.629 242 HD2 TYR 33 HD2 TYR 33 6.056 4.618 2.575 243 HE1 TYR 33 HE1 TYR 33 5.226 2.969 -2.022 244 HE2 TYR 33 HE2 TYR 33 4.311 2.913 2.170 245 HH TYR 33 HH TYR 33 3.130 2.177 -0.908 246 H ASP 34 H ASP 34 10.178 6.818 -2.176 247 HA ASP 34 HA ASP 34 11.805 8.515 -0.578 248 1HB ASP 34 1HB ASP 34 12.768 9.132 -2.688 249 2HB ASP 34 2HB ASP 34 12.232 7.460 -2.857 250 H ILE 35 H ILE 35 8.604 9.074 -1.599 251 HA ILE 35 HA ILE 35 8.683 11.883 -2.179 252 HB ILE 35 HB ILE 35 6.320 11.717 -2.054 253 1HG1 ILE 35 1HG1 ILE 35 5.949 10.994 0.199 254 2HG1 ILE 35 2HG1 ILE 35 5.236 9.756 -0.827 255 1HG2 ILE 35 1HG2 ILE 35 7.755 9.864 -3.443 256 2HG2 ILE 35 2HG2 ILE 35 6.693 8.822 -2.497 257 3HG2 ILE 35 3HG2 ILE 35 6.006 10.048 -3.562 258 1HD1 ILE 35 1HD1 ILE 35 7.999 9.605 0.410 259 2HD1 ILE 35 2HD1 ILE 35 6.571 8.763 1.004 260 3HD1 ILE 35 3HD1 ILE 35 7.237 8.359 -0.577 261 H VAL 36 H VAL 36 6.628 12.687 -0.183 262 HA VAL 36 HA VAL 36 8.460 13.650 1.884 263 HB VAL 36 HB VAL 36 6.324 14.749 2.670 264 1HG1 VAL 36 1HG1 VAL 36 7.724 15.070 0.158 265 2HG1 VAL 36 2HG1 VAL 36 6.037 15.554 -0.018 266 3HG1 VAL 36 3HG1 VAL 36 7.047 16.309 1.215 267 1HG2 VAL 36 1HG2 VAL 36 5.045 12.669 1.556 268 2HG2 VAL 36 2HG2 VAL 36 4.277 14.248 1.728 269 3HG2 VAL 36 3HG2 VAL 36 4.986 13.775 0.184 270 H GLY 37 H GLY 37 7.559 13.515 4.258 271 1HA GLY 37 1HA GLY 37 7.397 10.679 4.941 272 2HA GLY 37 2HA GLY 37 7.460 12.017 6.086 273 H ASP 38 H ASP 38 5.708 10.070 6.707 274 HA ASP 38 HA ASP 38 3.036 11.160 5.875 275 1HB ASP 38 1HB ASP 38 2.236 8.859 6.210 276 2HB ASP 38 2HB ASP 38 3.599 8.863 5.093 277 H CYS 39 H CYS 39 1.946 9.267 8.013 278 HA CYS 39 HA CYS 39 2.181 11.182 10.265 279 1HB CYS 39 1HB CYS 39 0.248 9.860 11.111 280 2HB CYS 39 2HB CYS 39 -0.020 10.431 9.465 281 H GLY 40 H GLY 40 4.015 8.669 9.309 282 1HA GLY 40 1HA GLY 40 5.559 7.327 10.467 283 2HA GLY 40 2HA GLY 40 5.104 8.188 11.938 284 H GLY 41 H GLY 41 2.631 6.647 10.034 285 1HA GLY 41 1HA GLY 41 1.593 4.511 10.346 286 2HA GLY 41 2HA GLY 41 2.652 4.226 11.728 287 H SER 42 H SER 42 1.351 7.331 11.875 288 HA SER 42 HA SER 42 -0.383 6.567 14.127 289 1HB SER 42 1HB SER 42 0.018 9.292 12.878 290 2HB SER 42 2HB SER 42 -0.394 8.918 14.549 291 HG SER 42 HG SER 42 1.669 8.879 14.898 292 H ALA 43 H ALA 43 -0.888 6.373 10.924 293 HA ALA 43 HA ALA 43 -2.786 6.552 9.517 294 1HB ALA 43 1HB ALA 43 -3.401 4.842 11.203 295 2HB ALA 43 2HB ALA 43 -4.048 6.111 12.242 296 3HB ALA 43 3HB ALA 43 -4.812 5.768 10.690 297 H SER 44 H SER 44 -1.910 9.085 9.939 298 HA SER 44 HA SER 44 -4.447 10.609 10.353 299 1HB SER 44 1HB SER 44 -3.043 10.611 12.417 300 2HB SER 44 2HB SER 44 -1.716 11.298 11.486 301 HG SER 44 HG SER 44 -3.040 13.092 11.055 302 H CYS 45 H CYS 45 -2.481 9.770 8.055 303 HA CYS 45 HA CYS 45 -2.252 12.530 6.909 304 1HB CYS 45 1HB CYS 45 -0.054 12.082 6.238 305 2HB CYS 45 2HB CYS 45 -0.129 11.232 7.778 306 H ALA 46 H ALA 46 -1.614 12.033 4.361 307 HA ALA 46 HA ALA 46 -3.398 9.879 3.328 308 1HB ALA 46 1HB ALA 46 -4.598 12.106 3.668 309 2HB ALA 46 2HB ALA 46 -3.543 12.764 2.418 310 3HB ALA 46 3HB ALA 46 -4.662 11.459 2.029 311 H THR 47 H THR 47 -0.403 11.098 3.313 312 HA THR 47 HA THR 47 0.109 11.300 0.430 313 HB THR 47 HB THR 47 2.278 10.886 2.433 314 HG1 THR 47 HG1 THR 47 1.848 13.188 3.011 315 1HG2 THR 47 1HG2 THR 47 1.743 12.404 -0.042 316 2HG2 THR 47 2HG2 THR 47 2.706 13.263 1.160 317 3HG2 THR 47 3HG2 THR 47 3.251 11.702 0.546 318 H CYS 48 H CYS 48 -0.712 8.726 2.215 319 HA CYS 48 HA CYS 48 1.267 6.887 0.912 320 1HB CYS 48 1HB CYS 48 0.524 5.343 2.791 321 2HB CYS 48 2HB CYS 48 1.385 6.788 3.313 322 H HIS 49 H HIS 49 -1.358 8.068 -0.107 323 HA HIS 49 HA HIS 49 -3.383 6.029 -0.179 324 1HB HIS 49 1HB HIS 49 -3.876 8.326 -0.718 325 2HB HIS 49 2HB HIS 49 -2.596 8.381 -1.924 326 HD1 HIS 49 HD1 HIS 49 -5.256 5.703 -1.573 327 HD2 HIS 49 HD2 HIS 49 -4.083 8.628 -4.253 328 HE1 HIS 49 HE1 HIS 49 -6.689 5.382 -3.589 329 H VAL 50 H VAL 50 -3.279 4.080 -1.179 330 HA VAL 50 HA VAL 50 -1.878 3.888 -3.779 331 HB VAL 50 HB VAL 50 -0.189 2.536 -3.050 332 1HG1 VAL 50 1HG1 VAL 50 -0.212 4.448 -1.374 333 2HG1 VAL 50 2HG1 VAL 50 -1.021 3.348 -0.257 334 3HG1 VAL 50 3HG1 VAL 50 0.605 2.982 -0.833 335 1HG2 VAL 50 1HG2 VAL 50 -2.363 1.322 -1.354 336 2HG2 VAL 50 2HG2 VAL 50 -1.426 0.583 -2.672 337 3HG2 VAL 50 3HG2 VAL 50 -0.665 0.871 -1.094 338 H TYR 51 H TYR 51 -2.053 1.334 -4.328 339 HA TYR 51 HA TYR 51 -4.783 0.392 -3.628 340 1HB TYR 51 1HB TYR 51 -3.468 1.003 -6.239 341 2HB TYR 51 2HB TYR 51 -4.901 0.003 -6.130 342 HD1 TYR 51 HD1 TYR 51 -6.986 0.913 -5.109 343 HD2 TYR 51 HD2 TYR 51 -3.576 3.391 -5.901 344 HE1 TYR 51 HE1 TYR 51 -8.383 2.914 -4.928 345 HE2 TYR 51 HE2 TYR 51 -5.006 5.395 -5.783 346 HH TYR 51 HH TYR 51 -7.220 6.067 -5.919 347 H VAL 52 H VAL 52 -4.250 -1.595 -2.719 348 HA VAL 52 HA VAL 52 -1.965 -3.149 -3.579 349 HB VAL 52 HB VAL 52 -4.333 -4.054 -1.917 350 1HG1 VAL 52 1HG1 VAL 52 -2.098 -5.391 -2.610 351 2HG1 VAL 52 2HG1 VAL 52 -1.559 -4.640 -1.110 352 3HG1 VAL 52 3HG1 VAL 52 -2.986 -5.681 -1.109 353 1HG2 VAL 52 1HG2 VAL 52 -2.049 -2.288 -0.999 354 2HG2 VAL 52 2HG2 VAL 52 -3.767 -1.869 -1.021 355 3HG2 VAL 52 3HG2 VAL 52 -3.178 -3.120 0.076 356 H ASN 53 H ASN 53 -2.007 -4.869 -5.074 357 HA ASN 53 HA ASN 53 -4.035 -5.244 -6.963 358 1HB ASN 53 1HB ASN 53 -3.161 -7.741 -6.780 359 2HB ASN 53 2HB ASN 53 -2.111 -6.482 -7.415 360 1HD2 ASN 53 2HD2 ASN 53 -2.841 -6.494 -3.981 361 2HD2 ASN 53 1HD2 ASN 53 -1.311 -7.020 -3.526 362 H GLU 54 H GLU 54 -5.757 -6.908 -7.063 363 HA GLU 54 HA GLU 54 -7.249 -7.123 -4.578 364 1HB GLU 54 1HB GLU 54 -8.638 -8.719 -6.132 365 2HB GLU 54 2HB GLU 54 -8.587 -6.999 -6.500 366 1HG GLU 54 1HG GLU 54 -8.186 -8.665 -8.441 367 2HG GLU 54 2HG GLU 54 -7.081 -7.301 -8.285 368 H ALA 55 H ALA 55 -4.540 -8.763 -5.590 369 HA ALA 55 HA ALA 55 -5.400 -11.392 -4.496 370 1HB ALA 55 1HB ALA 55 -3.559 -10.422 -6.490 371 2HB ALA 55 2HB ALA 55 -2.647 -11.338 -5.286 372 3HB ALA 55 3HB ALA 55 -3.999 -12.093 -6.136 373 H PHE 56 H PHE 56 -4.320 -8.584 -3.195 374 HA PHE 56 HA PHE 56 -3.036 -10.052 -0.939 375 1HB PHE 56 1HB PHE 56 -1.969 -7.543 -2.231 376 2HB PHE 56 2HB PHE 56 -1.333 -8.287 -0.786 377 HD1 PHE 56 HD1 PHE 56 -2.052 -9.065 -4.405 378 HD2 PHE 56 HD2 PHE 56 0.312 -9.922 -0.902 379 HE1 PHE 56 HE1 PHE 56 -0.735 -10.731 -5.684 380 HE2 PHE 56 HE2 PHE 56 1.549 -11.637 -2.131 381 HZ PHE 56 HZ PHE 56 1.047 -12.035 -4.565 382 H THR 57 H THR 57 -5.500 -8.210 -1.887 383 HA THR 57 HA THR 57 -5.424 -6.290 0.374 384 HB THR 57 HB THR 57 -7.514 -5.496 -0.649 385 HG1 THR 57 HG1 THR 57 -8.355 -6.670 -2.444 386 1HG2 THR 57 1HG2 THR 57 -5.064 -5.894 -2.158 387 2HG2 THR 57 2HG2 THR 57 -6.468 -5.767 -3.218 388 3HG2 THR 57 3HG2 THR 57 -6.110 -4.477 -2.071 389 H ASP 58 H ASP 58 -7.115 -9.169 -0.792 390 HA ASP 58 HA ASP 58 -8.680 -9.413 1.689 391 1HB ASP 58 1HB ASP 58 -10.143 -10.186 0.126 392 2HB ASP 58 2HB ASP 58 -8.885 -10.088 -1.104 393 H LYS 59 H LYS 59 -5.689 -10.276 0.673 394 HA LYS 59 HA LYS 59 -5.566 -12.926 2.023 395 1HB LYS 59 1HB LYS 59 -3.372 -11.372 0.707 396 2HB LYS 59 2HB LYS 59 -3.586 -13.127 0.785 397 1HG LYS 59 1HG LYS 59 -5.886 -12.234 -0.525 398 2HG LYS 59 2HG LYS 59 -4.609 -11.223 -1.204 399 1HD LYS 59 1HD LYS 59 -4.895 -13.328 -2.488 400 2HD LYS 59 2HD LYS 59 -3.300 -13.250 -1.742 401 1HE LYS 59 1HE LYS 59 -3.724 -15.035 -0.380 402 2HE LYS 59 2HE LYS 59 -5.382 -14.497 -0.046 403 1HZ LYS 59 1HZ LYS 59 -4.506 -15.583 -2.665 404 2HZ LYS 59 2HZ LYS 59 -5.232 -16.532 -1.461 405 3HZ LYS 59 3HZ LYS 59 -6.096 -15.250 -2.168 406 H VAL 60 H VAL 60 -4.064 -9.790 1.889 407 HA VAL 60 HA VAL 60 -2.548 -10.062 4.346 408 HB VAL 60 HB VAL 60 -2.763 -8.565 1.933 409 1HG1 VAL 60 1HG1 VAL 60 -3.401 -6.908 4.186 410 2HG1 VAL 60 2HG1 VAL 60 -1.877 -6.418 3.463 411 3HG1 VAL 60 3HG1 VAL 60 -3.340 -6.493 2.474 412 1HG2 VAL 60 1HG2 VAL 60 -0.810 -9.332 3.872 413 2HG2 VAL 60 2HG2 VAL 60 -0.728 -9.255 2.110 414 3HG2 VAL 60 3HG2 VAL 60 -0.447 -7.794 3.079 415 HA PRO 61 HA PRO 61 -5.612 -8.524 7.043 416 1HB PRO 61 1HB PRO 61 -4.588 -6.383 8.411 417 2HB PRO 61 2HB PRO 61 -4.109 -8.067 8.697 418 1HG PRO 61 1HG PRO 61 -2.698 -5.923 7.240 419 2HG PRO 61 2HG PRO 61 -2.058 -7.274 8.181 420 1HD PRO 61 1HD PRO 61 -2.151 -7.152 5.423 421 2HD PRO 61 2HD PRO 61 -1.981 -8.639 6.336 422 H ALA 62 H ALA 62 -7.325 -7.806 6.133 423 HA ALA 62 HA ALA 62 -7.752 -5.633 4.406 424 1HB ALA 62 1HB ALA 62 -9.149 -7.761 5.722 425 2HB ALA 62 2HB ALA 62 -10.104 -6.282 5.860 426 3HB ALA 62 3HB ALA 62 -9.623 -6.877 4.270 427 H ALA 63 H ALA 63 -6.438 -4.173 5.843 428 HA ALA 63 HA ALA 63 -6.949 -3.033 8.272 429 1HB ALA 63 1HB ALA 63 -6.241 -1.965 5.571 430 2HB ALA 63 2HB ALA 63 -6.611 -0.784 6.830 431 3HB ALA 63 3HB ALA 63 -5.302 -1.943 7.066 432 H ASN 64 H ASN 64 -8.660 -2.003 9.268 433 HA ASN 64 HA ASN 64 -11.209 -1.789 7.808 434 1HB ASN 64 1HB ASN 64 -12.116 -1.542 10.025 435 2HB ASN 64 2HB ASN 64 -10.849 -2.763 10.114 436 1HD2 ASN 64 2HD2 ASN 64 -11.539 -1.354 12.472 437 2HD2 ASN 64 1HD2 ASN 64 -10.270 -0.304 12.886 438 H GLU 65 H GLU 65 -12.220 0.266 9.561 439 HA GLU 65 HA GLU 65 -12.323 2.550 8.095 440 1HB GLU 65 1HB GLU 65 -12.918 3.655 10.145 441 2HB GLU 65 2HB GLU 65 -13.397 1.966 10.324 442 1HG GLU 65 1HG GLU 65 -11.168 1.551 11.448 443 2HG GLU 65 2HG GLU 65 -10.919 3.297 11.447 444 H ARG 66 H ARG 66 -9.486 1.530 9.947 445 HA ARG 66 HA ARG 66 -8.091 3.970 10.180 446 1HB ARG 66 1HB ARG 66 -7.562 1.106 10.118 447 2HB ARG 66 2HB ARG 66 -6.250 1.991 9.348 448 1HG ARG 66 1HG ARG 66 -7.275 2.250 12.173 449 2HG ARG 66 2HG ARG 66 -5.637 1.890 11.629 450 1HD ARG 66 1HD ARG 66 -5.271 4.116 11.994 451 2HD ARG 66 2HD ARG 66 -6.105 4.338 10.443 452 HE ARG 66 HE ARG 66 -8.095 4.047 12.442 453 1HH1 ARG 66 1HH1 ARG 66 -6.360 5.726 14.116 454 2HH1 ARG 66 2HH1 ARG 66 -6.774 7.335 13.625 455 1HH2 ARG 66 1HH2 ARG 66 -8.297 6.329 10.676 456 2HH2 ARG 66 2HH2 ARG 66 -7.870 7.677 11.678 457 H GLU 67 H GLU 67 -7.430 1.609 7.617 458 HA GLU 67 HA GLU 67 -6.368 3.530 5.758 459 1HB GLU 67 1HB GLU 67 -5.638 1.318 5.523 460 2HB GLU 67 2HB GLU 67 -7.244 0.659 5.828 461 1HG GLU 67 1HG GLU 67 -6.983 2.355 3.419 462 2HG GLU 67 2HG GLU 67 -6.142 0.808 3.369 463 H ILE 68 H ILE 68 -9.459 1.726 5.860 464 HA ILE 68 HA ILE 68 -10.752 2.730 3.631 465 HB ILE 68 HB ILE 68 -11.503 1.808 6.357 466 1HG1 ILE 68 1HG1 ILE 68 -13.069 0.470 4.686 467 2HG1 ILE 68 2HG1 ILE 68 -11.917 1.072 3.484 468 1HG2 ILE 68 1HG2 ILE 68 -13.482 3.176 4.505 469 2HG2 ILE 68 2HG2 ILE 68 -13.920 2.208 5.912 470 3HG2 ILE 68 3HG2 ILE 68 -13.029 3.715 6.122 471 1HD1 ILE 68 1HD1 ILE 68 -10.071 0.182 4.995 472 2HD1 ILE 68 2HD1 ILE 68 -11.332 -0.630 5.922 473 3HD1 ILE 68 3HD1 ILE 68 -11.074 -1.048 4.228 474 H GLY 69 H GLY 69 -9.883 4.492 6.535 475 1HA GLY 69 1HA GLY 69 -11.645 6.753 5.873 476 2HA GLY 69 2HA GLY 69 -10.485 6.706 7.199 477 H MET 70 H MET 70 -8.187 7.010 6.663 478 HA MET 70 HA MET 70 -7.486 9.150 5.076 479 1HB MET 70 1HB MET 70 -5.248 7.828 4.789 480 2HB MET 70 2HB MET 70 -5.788 8.211 6.417 481 1HG MET 70 1HG MET 70 -6.986 5.827 6.192 482 2HG MET 70 2HG MET 70 -5.707 5.570 5.021 483 1HE MET 70 1HE MET 70 -4.565 3.917 5.852 484 2HE MET 70 2HE MET 70 -3.510 3.855 7.267 485 3HE MET 70 3HE MET 70 -5.234 3.504 7.443 486 H LEU 71 H LEU 71 -7.877 5.789 4.009 487 HA LEU 71 HA LEU 71 -7.146 6.106 1.244 488 1HB LEU 71 1HB LEU 71 -7.487 3.982 2.536 489 2HB LEU 71 2HB LEU 71 -9.194 4.353 2.586 490 HG LEU 71 HG LEU 71 -8.089 2.798 0.705 491 1HD1 LEU 71 1HD1 LEU 71 -10.503 4.566 0.800 492 2HD1 LEU 71 2HD1 LEU 71 -10.180 3.637 -0.661 493 3HD1 LEU 71 3HD1 LEU 71 -10.412 2.803 0.883 494 1HD2 LEU 71 1HD2 LEU 71 -8.214 5.584 -0.425 495 2HD2 LEU 71 2HD2 LEU 71 -6.783 4.575 -0.318 496 3HD2 LEU 71 3HD2 LEU 71 -8.094 4.134 -1.423 497 H GLU 72 H GLU 72 -10.337 6.116 2.861 498 HA GLU 72 HA GLU 72 -11.920 6.899 0.641 499 1HB GLU 72 1HB GLU 72 -13.112 6.219 2.529 500 2HB GLU 72 2HB GLU 72 -12.007 7.031 3.634 501 1HG GLU 72 1HG GLU 72 -14.126 8.190 3.688 502 2HG GLU 72 2HG GLU 72 -12.944 9.223 2.886 503 H CYS 73 H CYS 73 -9.651 8.647 2.609 504 HA CYS 73 HA CYS 73 -10.615 11.333 2.008 505 1HB CYS 73 1HB CYS 73 -8.719 9.995 3.683 506 2HB CYS 73 2HB CYS 73 -7.858 11.240 2.775 507 HG CYS 73 HG CYS 73 -9.445 11.892 5.113 508 H VAL 74 H VAL 74 -7.900 9.304 0.851 509 HA VAL 74 HA VAL 74 -6.499 10.928 -0.864 510 HB VAL 74 HB VAL 74 -6.087 8.958 -2.178 511 1HG1 VAL 74 1HG1 VAL 74 -5.580 8.940 0.384 512 2HG1 VAL 74 2HG1 VAL 74 -6.910 7.786 0.473 513 3HG1 VAL 74 3HG1 VAL 74 -5.490 7.418 -0.502 514 1HG2 VAL 74 1HG2 VAL 74 -8.898 8.566 -1.580 515 2HG2 VAL 74 2HG2 VAL 74 -7.938 7.915 -2.914 516 3HG2 VAL 74 3HG2 VAL 74 -7.966 7.081 -1.360 517 H THR 75 H THR 75 -6.771 11.441 -3.195 518 HA THR 75 HA THR 75 -9.641 11.698 -3.999 519 HB THR 75 HB THR 75 -7.210 13.482 -4.323 520 HG1 THR 75 HG1 THR 75 -9.705 14.254 -3.320 521 1HG2 THR 75 1HG2 THR 75 -9.826 13.440 -5.759 522 2HG2 THR 75 2HG2 THR 75 -9.104 15.000 -5.364 523 3HG2 THR 75 3HG2 THR 75 -8.219 13.846 -6.360 524 H ALA 76 H ALA 76 -7.783 9.449 -4.587 525 HA ALA 76 HA ALA 76 -7.350 9.943 -7.509 526 1HB ALA 76 1HB ALA 76 -5.719 9.024 -5.379 527 2HB ALA 76 2HB ALA 76 -5.947 7.664 -6.477 528 3HB ALA 76 3HB ALA 76 -5.283 9.186 -7.081 529 H GLU 77 H GLU 77 -6.914 7.442 -8.295 530 HA GLU 77 HA GLU 77 -9.383 6.398 -9.051 531 1HB GLU 77 1HB GLU 77 -7.807 5.622 -10.422 532 2HB GLU 77 2HB GLU 77 -6.565 5.976 -9.243 533 1HG GLU 77 1HG GLU 77 -6.760 3.781 -8.277 534 2HG GLU 77 2HG GLU 77 -8.234 3.454 -9.194 535 H LEU 78 H LEU 78 -10.151 6.460 -6.485 536 HA LEU 78 HA LEU 78 -9.202 4.363 -4.837 537 1HB LEU 78 1HB LEU 78 -10.904 6.336 -4.332 538 2HB LEU 78 2HB LEU 78 -12.069 5.010 -4.544 539 HG LEU 78 HG LEU 78 -9.990 3.820 -3.206 540 1HD1 LEU 78 1HD1 LEU 78 -10.117 6.648 -2.410 541 2HD1 LEU 78 2HD1 LEU 78 -9.920 5.434 -1.141 542 3HD1 LEU 78 3HD1 LEU 78 -8.754 5.519 -2.464 543 1HD2 LEU 78 1HD2 LEU 78 -12.700 4.222 -2.801 544 2HD2 LEU 78 2HD2 LEU 78 -11.617 3.113 -1.943 545 3HD2 LEU 78 3HD2 LEU 78 -11.915 4.743 -1.300 546 H LYS 79 H LYS 79 -10.004 2.443 -4.267 547 HA LYS 79 HA LYS 79 -11.334 0.907 -6.449 548 1HB LYS 79 1HB LYS 79 -8.871 0.802 -4.752 549 2HB LYS 79 2HB LYS 79 -9.471 -0.695 -5.486 550 1HG LYS 79 1HG LYS 79 -9.049 1.796 -7.133 551 2HG LYS 79 2HG LYS 79 -7.710 0.709 -6.790 552 1HD LYS 79 1HD LYS 79 -8.451 -0.869 -8.167 553 2HD LYS 79 2HD LYS 79 -10.126 -0.661 -7.664 554 1HE LYS 79 1HE LYS 79 -10.561 0.542 -9.537 555 2HE LYS 79 2HE LYS 79 -9.271 1.685 -9.110 556 1HZ LYS 79 1HZ LYS 79 -7.754 -0.279 -9.849 557 2HZ LYS 79 2HZ LYS 79 -9.120 -0.758 -10.738 558 3HZ LYS 79 3HZ LYS 79 -8.419 0.760 -11.017 559 HA PRO 80 HA PRO 80 -13.513 -1.235 -3.200 560 1HB PRO 80 1HB PRO 80 -13.179 -3.865 -3.890 561 2HB PRO 80 2HB PRO 80 -14.269 -2.779 -4.780 562 1HG PRO 80 1HG PRO 80 -11.528 -3.706 -5.468 563 2HG PRO 80 2HG PRO 80 -12.920 -3.418 -6.522 564 1HD PRO 80 1HD PRO 80 -10.830 -1.680 -6.266 565 2HD PRO 80 2HD PRO 80 -12.475 -1.185 -6.718 566 H ASN 81 H ASN 81 -10.267 -2.128 -4.060 567 HA ASN 81 HA ASN 81 -9.706 -3.155 -1.310 568 1HB ASN 81 1HB ASN 81 -8.202 -4.587 -2.330 569 2HB ASN 81 2HB ASN 81 -9.296 -4.343 -3.688 570 1HD2 ASN 81 2HD2 ASN 81 -8.349 -3.525 -5.586 571 2HD2 ASN 81 1HD2 ASN 81 -6.809 -2.829 -5.677 572 H SER 82 H SER 82 -9.711 -0.245 -2.658 573 HA SER 82 HA SER 82 -7.176 0.918 -2.768 574 1HB SER 82 1HB SER 82 -9.855 1.722 -2.313 575 2HB SER 82 2HB SER 82 -8.842 2.481 -1.096 576 HG SER 82 HG SER 82 -7.419 3.048 -2.819 577 H ARG 83 H ARG 83 -5.636 1.609 -1.224 578 HA ARG 83 HA ARG 83 -6.227 1.303 1.628 579 1HB ARG 83 1HB ARG 83 -5.261 -0.900 0.028 580 2HB ARG 83 2HB ARG 83 -4.115 -0.517 1.313 581 1HG ARG 83 1HG ARG 83 -5.599 -1.040 2.990 582 2HG ARG 83 2HG ARG 83 -7.007 -0.580 2.020 583 1HD ARG 83 1HD ARG 83 -7.212 -2.670 1.110 584 2HD ARG 83 2HD ARG 83 -5.455 -2.897 1.010 585 HE ARG 83 HE ARG 83 -6.254 -2.796 3.761 586 1HH1 ARG 83 1HH1 ARG 83 -7.881 -4.689 1.677 587 2HH1 ARG 83 2HH1 ARG 83 -7.250 -6.206 2.221 588 1HH2 ARG 83 1HH2 ARG 83 -4.761 -4.800 4.156 589 2HH2 ARG 83 2HH2 ARG 83 -5.488 -6.272 3.606 590 H LEU 84 H LEU 84 -4.376 1.726 3.008 591 HA LEU 84 HA LEU 84 -2.398 3.554 1.741 592 1HB LEU 84 1HB LEU 84 -3.344 3.047 4.581 593 2HB LEU 84 2HB LEU 84 -2.023 4.147 4.189 594 HG LEU 84 HG LEU 84 -4.037 5.452 4.377 595 1HD1 LEU 84 1HD1 LEU 84 -2.395 5.611 2.280 596 2HD1 LEU 84 2HD1 LEU 84 -3.874 5.195 1.416 597 3HD1 LEU 84 3HD1 LEU 84 -3.817 6.640 2.424 598 1HD2 LEU 84 1HD2 LEU 84 -5.485 3.366 3.887 599 2HD2 LEU 84 2HD2 LEU 84 -6.070 4.921 3.292 600 3HD2 LEU 84 3HD2 LEU 84 -5.280 3.795 2.189 601 H CYS 85 H CYS 85 -0.387 2.674 1.392 602 HA CYS 85 HA CYS 85 0.472 0.107 1.910 603 1HB CYS 85 1HB CYS 85 2.800 1.261 2.003 604 2HB CYS 85 2HB CYS 85 1.805 1.495 0.569 605 HG CYS 85 HG CYS 85 1.563 3.664 2.770 606 H CYS 86 H CYS 86 0.116 2.666 4.295 607 HA CYS 86 HA CYS 86 1.770 1.334 6.321 608 1HB CYS 86 1HB CYS 86 0.942 3.161 7.737 609 2HB CYS 86 2HB CYS 86 1.454 3.795 6.175 610 H GLN 87 H GLN 87 -1.107 0.444 5.015 611 HA GLN 87 HA GLN 87 -2.110 -0.621 7.635 612 1HB GLN 87 1HB GLN 87 -3.483 0.587 5.244 613 2HB GLN 87 2HB GLN 87 -4.360 -0.510 6.309 614 1HG GLN 87 1HG GLN 87 -2.984 2.071 7.102 615 2HG GLN 87 2HG GLN 87 -4.720 1.761 7.085 616 1HE2 GLN 87 2HE2 GLN 87 -1.718 1.112 8.840 617 2HE2 GLN 87 1HE2 GLN 87 -2.456 0.420 10.203 618 H ILE 88 H ILE 88 -0.512 -1.598 4.981 619 HA ILE 88 HA ILE 88 -2.110 -4.115 4.681 620 HB ILE 88 HB ILE 88 -0.175 -2.650 2.857 621 1HG1 ILE 88 1HG1 ILE 88 -2.494 -1.776 3.020 622 2HG1 ILE 88 2HG1 ILE 88 -2.141 -2.435 1.424 623 1HG2 ILE 88 1HG2 ILE 88 -0.404 -5.381 2.976 624 2HG2 ILE 88 2HG2 ILE 88 -1.650 -4.971 1.798 625 3HG2 ILE 88 3HG2 ILE 88 0.020 -4.477 1.523 626 1HD1 ILE 88 1HD1 ILE 88 -3.075 -4.613 2.945 627 2HD1 ILE 88 2HD1 ILE 88 -4.147 -3.268 3.331 628 3HD1 ILE 88 3HD1 ILE 88 -3.940 -3.774 1.655 629 H ILE 89 H ILE 89 -1.176 -5.589 6.132 630 HA ILE 89 HA ILE 89 1.707 -5.581 6.661 631 HB ILE 89 HB ILE 89 -0.485 -7.487 7.492 632 1HG1 ILE 89 1HG1 ILE 89 -1.274 -5.471 8.371 633 2HG1 ILE 89 2HG1 ILE 89 -0.208 -6.000 9.669 634 1HG2 ILE 89 1HG2 ILE 89 2.273 -6.892 8.552 635 2HG2 ILE 89 2HG2 ILE 89 1.073 -7.829 9.438 636 3HG2 ILE 89 3HG2 ILE 89 1.687 -8.421 7.892 637 1HD1 ILE 89 1HD1 ILE 89 1.616 -4.661 8.291 638 2HD1 ILE 89 2HD1 ILE 89 0.201 -3.827 7.641 639 3HD1 ILE 89 3HD1 ILE 89 0.517 -3.806 9.378 640 H MET 90 H MET 90 3.155 -6.894 5.632 641 HA MET 90 HA MET 90 2.239 -8.595 3.440 642 1HB MET 90 1HB MET 90 4.363 -6.996 3.903 643 2HB MET 90 2HB MET 90 5.049 -8.543 4.393 644 1HG MET 90 1HG MET 90 5.424 -8.058 1.982 645 2HG MET 90 2HG MET 90 4.478 -9.523 2.233 646 1HE MET 90 1HE MET 90 2.599 -10.031 1.790 647 2HE MET 90 2HE MET 90 1.187 -9.153 1.144 648 3HE MET 90 3HE MET 90 2.514 -9.668 0.072 649 H THR 91 H THR 91 1.511 -10.698 3.949 650 HA THR 91 HA THR 91 2.787 -11.999 6.327 651 HB THR 91 HB THR 91 0.891 -13.206 6.486 652 HG1 THR 91 HG1 THR 91 0.331 -14.551 4.937 653 1HG2 THR 91 1HG2 THR 91 0.209 -10.806 5.402 654 2HG2 THR 91 2HG2 THR 91 -0.512 -11.924 4.248 655 3HG2 THR 91 3HG2 THR 91 -0.952 -12.013 5.948 656 HA PRO 92 HA PRO 92 5.216 -14.647 3.895 657 1HB PRO 92 1HB PRO 92 4.862 -17.067 5.102 658 2HB PRO 92 2HB PRO 92 5.714 -15.738 5.886 659 1HG PRO 92 1HG PRO 92 3.082 -16.874 6.457 660 2HG PRO 92 2HG PRO 92 4.128 -15.880 7.478 661 1HD PRO 92 1HD PRO 92 1.823 -15.065 5.973 662 2HD PRO 92 2HD PRO 92 2.878 -14.067 7.006 663 H GLU 93 H GLU 93 1.846 -15.199 4.015 664 HA GLU 93 HA GLU 93 1.765 -17.380 2.036 665 1HB GLU 93 1HB GLU 93 -0.419 -17.491 2.758 666 2HB GLU 93 2HB GLU 93 0.237 -16.560 4.099 667 1HG GLU 93 1HG GLU 93 -0.461 -14.500 3.128 668 2HG GLU 93 2HG GLU 93 -0.933 -15.305 1.632 669 H LEU 94 H LEU 94 1.418 -13.955 2.301 670 HA LEU 94 HA LEU 94 0.619 -13.567 -0.502 671 1HB LEU 94 1HB LEU 94 1.116 -11.818 1.914 672 2HB LEU 94 2HB LEU 94 0.713 -11.146 0.348 673 HG LEU 94 HG LEU 94 -0.901 -13.368 1.541 674 1HD1 LEU 94 1HD1 LEU 94 -0.677 -10.956 2.779 675 2HD1 LEU 94 2HD1 LEU 94 -1.964 -10.610 1.627 676 3HD1 LEU 94 3HD1 LEU 94 -2.145 -11.926 2.790 677 1HD2 LEU 94 1HD2 LEU 94 -0.673 -12.325 -0.928 678 2HD2 LEU 94 2HD2 LEU 94 -2.171 -13.024 -0.296 679 3HD2 LEU 94 3HD2 LEU 94 -1.917 -11.281 -0.255 680 H ASP 95 H ASP 95 3.217 -14.776 -0.041 681 HA ASP 95 HA ASP 95 5.311 -12.886 -0.242 682 1HB ASP 95 1HB ASP 95 6.576 -14.840 -1.109 683 2HB ASP 95 2HB ASP 95 5.587 -15.280 0.284 684 H GLY 96 H GLY 96 4.979 -11.216 -1.803 685 1HA GLY 96 1HA GLY 96 5.715 -10.923 -4.222 686 2HA GLY 96 2HA GLY 96 4.651 -12.270 -4.597 687 H ILE 97 H ILE 97 3.643 -9.721 -2.352 688 HA ILE 97 HA ILE 97 1.212 -9.234 -3.711 689 HB ILE 97 HB ILE 97 1.740 -8.799 -1.373 690 1HG1 ILE 97 1HG1 ILE 97 1.243 -6.114 -2.560 691 2HG1 ILE 97 2HG1 ILE 97 0.068 -7.401 -2.772 692 1HG2 ILE 97 1HG2 ILE 97 3.621 -6.814 -2.588 693 2HG2 ILE 97 2HG2 ILE 97 3.067 -6.715 -0.920 694 3HG2 ILE 97 3HG2 ILE 97 3.972 -8.122 -1.463 695 1HD1 ILE 97 1HD1 ILE 97 0.539 -7.805 -0.233 696 2HD1 ILE 97 2HD1 ILE 97 0.987 -6.096 -0.275 697 3HD1 ILE 97 3HD1 ILE 97 -0.643 -6.584 -0.751 698 H VAL 98 H VAL 98 0.505 -7.268 -4.662 699 HA VAL 98 HA VAL 98 2.602 -5.820 -6.246 700 HB VAL 98 HB VAL 98 -0.118 -6.587 -7.319 701 1HG1 VAL 98 1HG1 VAL 98 2.322 -5.368 -8.305 702 2HG1 VAL 98 2HG1 VAL 98 1.898 -6.784 -9.267 703 3HG1 VAL 98 3HG1 VAL 98 0.737 -5.470 -9.073 704 1HG2 VAL 98 1HG2 VAL 98 2.189 -8.396 -6.776 705 2HG2 VAL 98 2HG2 VAL 98 0.482 -8.804 -6.971 706 3HG2 VAL 98 3HG2 VAL 98 1.495 -8.521 -8.391 707 H VAL 99 H VAL 99 2.399 -3.710 -5.496 708 HA VAL 99 HA VAL 99 -0.305 -2.812 -4.594 709 HB VAL 99 HB VAL 99 2.030 -1.042 -4.199 710 1HG1 VAL 99 1HG1 VAL 99 -0.421 -2.056 -2.889 711 2HG1 VAL 99 2HG1 VAL 99 0.916 -1.713 -1.780 712 3HG1 VAL 99 3HG1 VAL 99 0.296 -0.439 -2.833 713 1HG2 VAL 99 1HG2 VAL 99 1.951 -3.819 -2.969 714 2HG2 VAL 99 2HG2 VAL 99 3.238 -3.145 -3.967 715 3HG2 VAL 99 3HG2 VAL 99 2.938 -2.490 -2.360 716 H ASP 100 H ASP 100 -1.092 -0.765 -5.299 717 HA ASP 100 HA ASP 100 0.056 0.110 -7.924 718 1HB ASP 100 1HB ASP 100 -2.519 -0.876 -7.074 719 2HB ASP 100 2HB ASP 100 -2.673 0.703 -7.843 720 H VAL 101 H VAL 101 0.746 2.143 -7.865 721 HA VAL 101 HA VAL 101 -0.226 3.929 -5.706 722 HB VAL 101 HB VAL 101 2.082 3.992 -7.663 723 1HG1 VAL 101 1HG1 VAL 101 1.206 6.266 -7.081 724 2HG1 VAL 101 2HG1 VAL 101 1.518 5.898 -5.387 725 3HG1 VAL 101 3HG1 VAL 101 2.857 5.980 -6.533 726 1HG2 VAL 101 1HG2 VAL 101 2.120 2.348 -5.744 727 2HG2 VAL 101 2HG2 VAL 101 3.442 3.516 -5.724 728 3HG2 VAL 101 3HG2 VAL 101 2.063 3.728 -4.646 729 HA PRO 102 HA PRO 102 -2.603 6.040 -8.802 730 1HB PRO 102 1HB PRO 102 -3.727 7.847 -7.106 731 2HB PRO 102 2HB PRO 102 -4.182 6.137 -7.129 732 1HG PRO 102 1HG PRO 102 -2.625 7.614 -5.145 733 2HG PRO 102 2HG PRO 102 -3.531 6.109 -4.976 734 1HD PRO 102 1HD PRO 102 -0.717 6.423 -5.294 735 2HD PRO 102 2HD PRO 102 -1.650 4.921 -5.180 736 H ASP 103 H ASP 103 -3.007 8.407 -9.438 737 HA ASP 103 HA ASP 103 -0.432 9.876 -9.462 738 1HB ASP 103 1HB ASP 103 -1.651 11.206 -11.195 739 2HB ASP 103 2HB ASP 103 -1.674 9.478 -11.549 740 H ARG 104 H ARG 104 -3.476 9.876 -7.853 741 HA ARG 104 HA ARG 104 -3.057 12.669 -6.858 742 1HB ARG 104 1HB ARG 104 -5.568 11.035 -6.497 743 2HB ARG 104 2HB ARG 104 -5.402 12.783 -6.598 744 1HG ARG 104 1HG ARG 104 -4.523 11.467 -9.058 745 2HG ARG 104 2HG ARG 104 -6.198 11.096 -8.662 746 1HD ARG 104 1HD ARG 104 -5.940 13.184 -10.050 747 2HD ARG 104 2HD ARG 104 -6.715 13.488 -8.481 748 HE ARG 104 HE ARG 104 -3.907 13.678 -8.120 749 1HH1 ARG 104 1HH1 ARG 104 -5.352 15.081 -10.729 750 2HH1 ARG 104 2HH1 ARG 104 -5.132 16.724 -10.229 751 1HH2 ARG 104 1HH2 ARG 104 -4.108 15.890 -7.023 752 2HH2 ARG 104 2HH2 ARG 104 -4.427 17.183 -8.131 753 H GLN 105 H GLN 105 -1.352 11.523 -5.478 754 HA GLN 105 HA GLN 105 -2.526 9.760 -3.416 755 1HB GLN 105 1HB GLN 105 0.365 10.613 -3.713 756 2HB GLN 105 2HB GLN 105 -0.264 9.125 -3.010 757 1HG GLN 105 1HG GLN 105 -0.913 8.280 -5.158 758 2HG GLN 105 2HG GLN 105 -0.630 9.839 -5.930 759 1HE2 GLN 105 2HE2 GLN 105 1.304 7.669 -3.774 760 2HE2 GLN 105 1HE2 GLN 105 2.707 7.741 -4.728 761 H TRP 106 H TRP 106 -3.521 12.272 -3.015 762 HA TRP 106 HA TRP 106 -1.841 14.011 -1.405 763 1HB TRP 106 1HB TRP 106 -3.729 15.358 -1.400 764 2HB TRP 106 2HB TRP 106 -4.103 14.341 -2.794 765 HD1 TRP 106 HD1 TRP 106 -6.337 13.051 -2.656 766 HE1 TRP 106 HE1 TRP 106 -8.026 12.518 -0.762 767 HE3 TRP 106 HE3 TRP 106 -3.774 14.956 1.261 768 HZ2 TRP 106 HZ2 TRP 106 -8.236 12.926 2.088 769 HZ3 TRP 106 HZ3 TRP 106 -4.704 14.906 3.545 770 HH2 TRP 106 HH2 TRP 106 -6.934 13.889 3.977 Start of MODEL 8 1 3H SER 1 3H SER 1 8.490 -11.853 3.094 2 1H SER 1 1H SER 1 7.504 -10.491 3.340 3 2H SER 1 2H SER 1 6.993 -12.022 3.873 4 HA SER 1 HA SER 1 6.983 -12.775 1.508 5 1HB SER 1 1HB SER 1 4.788 -12.306 1.724 6 2HB SER 1 2HB SER 1 5.203 -11.299 3.109 7 HG SER 1 HG SER 1 4.408 -10.604 0.596 8 H LYS 2 H LYS 2 7.015 -12.029 -0.721 9 HA LYS 2 HA LYS 2 8.865 -9.925 -1.337 10 1HB LYS 2 1HB LYS 2 6.955 -11.738 -2.781 11 2HB LYS 2 2HB LYS 2 7.814 -10.490 -3.661 12 1HG LYS 2 1HG LYS 2 9.801 -11.610 -2.141 13 2HG LYS 2 2HG LYS 2 8.782 -12.999 -2.516 14 1HD LYS 2 1HD LYS 2 9.833 -11.041 -4.579 15 2HD LYS 2 2HD LYS 2 10.559 -12.613 -4.238 16 1HE LYS 2 1HE LYS 2 8.728 -13.795 -5.120 17 2HE LYS 2 2HE LYS 2 7.628 -12.414 -4.934 18 1HZ LYS 2 1HZ LYS 2 10.017 -12.376 -6.695 19 2HZ LYS 2 2HZ LYS 2 8.461 -12.770 -7.252 20 3HZ LYS 2 3HZ LYS 2 8.768 -11.226 -6.622 21 H VAL 3 H VAL 3 8.366 -7.888 -2.244 22 HA VAL 3 HA VAL 3 5.540 -7.058 -2.321 23 HB VAL 3 HB VAL 3 7.898 -5.900 -0.890 24 1HG1 VAL 3 1HG1 VAL 3 6.611 -4.129 -2.179 25 2HG1 VAL 3 2HG1 VAL 3 5.160 -4.606 -1.239 26 3HG1 VAL 3 3HG1 VAL 3 6.581 -3.929 -0.412 27 1HG2 VAL 3 1HG2 VAL 3 5.514 -7.459 -0.331 28 2HG2 VAL 3 2HG2 VAL 3 6.931 -7.206 0.654 29 3HG2 VAL 3 3HG2 VAL 3 5.624 -6.040 0.697 30 H VAL 4 H VAL 4 5.060 -5.855 -4.049 31 HA VAL 4 HA VAL 4 7.282 -4.460 -5.448 32 HB VAL 4 HB VAL 4 5.338 -6.373 -6.724 33 1HG1 VAL 4 1HG1 VAL 4 6.744 -4.213 -7.841 34 2HG1 VAL 4 2HG1 VAL 4 7.654 -5.654 -8.294 35 3HG1 VAL 4 3HG1 VAL 4 5.948 -5.519 -8.718 36 1HG2 VAL 4 1HG2 VAL 4 7.051 -7.493 -5.363 37 2HG2 VAL 4 2HG2 VAL 4 7.328 -7.780 -7.081 38 3HG2 VAL 4 3HG2 VAL 4 8.309 -6.597 -6.216 39 H TYR 5 H TYR 5 6.349 -2.473 -4.835 40 HA TYR 5 HA TYR 5 3.580 -1.786 -5.161 41 1HB TYR 5 1HB TYR 5 6.037 -0.020 -5.082 42 2HB TYR 5 2HB TYR 5 4.398 0.464 -4.697 43 HD1 TYR 5 HD1 TYR 5 7.173 -1.854 -3.550 44 HD2 TYR 5 HD2 TYR 5 3.558 0.272 -2.546 45 HE1 TYR 5 HE1 TYR 5 7.530 -2.359 -1.227 46 HE2 TYR 5 HE2 TYR 5 3.958 -0.241 -0.172 47 HH TYR 5 HH TYR 5 6.345 -2.529 0.831 48 H VAL 6 H VAL 6 2.596 -0.929 -7.008 49 HA VAL 6 HA VAL 6 4.320 -0.719 -9.417 50 HB VAL 6 HB VAL 6 1.323 -0.838 -8.979 51 1HG1 VAL 6 1HG1 VAL 6 1.980 0.330 -11.056 52 2HG1 VAL 6 2HG1 VAL 6 2.954 -1.065 -11.516 53 3HG1 VAL 6 3HG1 VAL 6 1.202 -1.216 -11.391 54 1HG2 VAL 6 1HG2 VAL 6 3.411 -2.881 -9.762 55 2HG2 VAL 6 2HG2 VAL 6 2.354 -2.926 -8.342 56 3HG2 VAL 6 3HG2 VAL 6 1.677 -3.146 -9.964 57 H SER 7 H SER 7 3.752 1.174 -10.882 58 HA SER 7 HA SER 7 3.375 3.611 -9.209 59 1HB SER 7 1HB SER 7 4.494 4.704 -11.140 60 2HB SER 7 2HB SER 7 5.439 3.347 -10.537 61 HG SER 7 HG SER 7 4.578 3.714 -12.971 62 H HIS 8 H HIS 8 2.663 5.243 -11.507 63 HA HIS 8 HA HIS 8 -0.199 4.482 -11.684 64 1HB HIS 8 1HB HIS 8 0.711 6.886 -13.128 65 2HB HIS 8 2HB HIS 8 -0.546 6.730 -11.916 66 HD1 HIS 8 HD1 HIS 8 1.242 5.673 -9.586 67 HD2 HIS 8 HD2 HIS 8 2.206 8.946 -11.969 68 HE1 HIS 8 HE1 HIS 8 2.823 7.109 -8.222 69 H ASP 9 H ASP 9 2.705 4.746 -13.611 70 HA ASP 9 HA ASP 9 1.273 4.055 -16.114 71 1HB ASP 9 1HB ASP 9 3.299 4.675 -17.169 72 2HB ASP 9 2HB ASP 9 3.210 5.759 -15.782 73 H GLY 10 H GLY 10 2.552 2.424 -13.479 74 1HA GLY 10 1HA GLY 10 2.272 -0.058 -13.503 75 2HA GLY 10 2HA GLY 10 2.970 -0.042 -15.125 76 H THR 11 H THR 11 5.036 2.024 -14.154 77 HA THR 11 HA THR 11 7.153 0.281 -13.627 78 HB THR 11 HB THR 11 6.638 3.093 -13.726 79 HG1 THR 11 HG1 THR 11 8.074 1.870 -15.008 80 1HG2 THR 11 1HG2 THR 11 8.237 2.093 -11.388 81 2HG2 THR 11 2HG2 THR 11 8.640 3.640 -12.145 82 3HG2 THR 11 3HG2 THR 11 7.044 3.403 -11.422 83 H ARG 12 H ARG 12 7.686 -0.822 -11.865 84 HA ARG 12 HA ARG 12 6.324 -0.183 -9.281 85 1HB ARG 12 1HB ARG 12 7.235 -2.953 -9.992 86 2HB ARG 12 2HB ARG 12 5.871 -2.456 -8.993 87 1HG ARG 12 1HG ARG 12 4.647 -1.705 -10.971 88 2HG ARG 12 2HG ARG 12 6.025 -2.098 -12.000 89 1HD ARG 12 1HD ARG 12 5.696 -4.401 -11.792 90 2HD ARG 12 2HD ARG 12 4.856 -4.240 -10.237 91 HE ARG 12 HE ARG 12 3.147 -2.902 -11.840 92 1HH1 ARG 12 1HH1 ARG 12 3.582 -6.084 -11.232 93 2HH1 ARG 12 2HH1 ARG 12 2.937 -6.683 -12.724 94 1HH2 ARG 12 1HH2 ARG 12 2.853 -3.568 -14.245 95 2HH2 ARG 12 2HH2 ARG 12 2.526 -5.258 -14.429 96 H ARG 13 H ARG 13 7.530 -1.736 -7.526 97 HA ARG 13 HA ARG 13 10.481 -1.365 -7.644 98 1HB ARG 13 1HB ARG 13 9.571 -1.014 -4.971 99 2HB ARG 13 2HB ARG 13 10.295 0.219 -6.000 100 1HG ARG 13 1HG ARG 13 7.369 -0.406 -6.256 101 2HG ARG 13 2HG ARG 13 7.928 0.608 -4.929 102 1HD ARG 13 1HD ARG 13 8.902 2.211 -6.469 103 2HD ARG 13 2HD ARG 13 8.585 1.142 -7.851 104 HE ARG 13 HE ARG 13 6.107 1.365 -7.150 105 1HH1 ARG 13 1HH1 ARG 13 7.959 3.471 -5.342 106 2HH1 ARG 13 2HH1 ARG 13 7.100 4.906 -5.792 107 1HH2 ARG 13 1HH2 ARG 13 5.225 3.334 -8.247 108 2HH2 ARG 13 2HH2 ARG 13 5.552 4.829 -7.436 109 H GLU 14 H GLU 14 11.227 -2.704 -5.445 110 HA GLU 14 HA GLU 14 9.316 -4.903 -4.963 111 1HB GLU 14 1HB GLU 14 12.090 -5.367 -6.152 112 2HB GLU 14 2HB GLU 14 10.910 -6.616 -5.756 113 1HG GLU 14 1HG GLU 14 9.313 -5.512 -7.362 114 2HG GLU 14 2HG GLU 14 10.631 -4.445 -7.850 115 H LEU 15 H LEU 15 9.380 -4.933 -2.761 116 HA LEU 15 HA LEU 15 11.952 -4.551 -1.292 117 1HB LEU 15 1HB LEU 15 9.072 -4.558 -0.368 118 2HB LEU 15 2HB LEU 15 10.450 -3.939 0.521 119 HG LEU 15 HG LEU 15 8.965 -2.787 -1.741 120 1HD1 LEU 15 1HD1 LEU 15 9.571 -2.257 0.982 121 2HD1 LEU 15 2HD1 LEU 15 10.283 -0.959 0.025 122 3HD1 LEU 15 3HD1 LEU 15 8.553 -1.300 -0.090 123 1HD2 LEU 15 1HD2 LEU 15 11.902 -2.773 -1.498 124 2HD2 LEU 15 2HD2 LEU 15 10.882 -2.470 -2.903 125 3HD2 LEU 15 3HD2 LEU 15 11.156 -1.192 -1.716 126 H ASP 16 H ASP 16 10.853 -5.613 1.080 127 HA ASP 16 HA ASP 16 10.220 -8.446 0.604 128 1HB ASP 16 1HB ASP 16 12.855 -7.573 0.892 129 2HB ASP 16 2HB ASP 16 12.417 -8.065 2.528 130 H VAL 17 H VAL 17 8.300 -7.174 1.578 131 HA VAL 17 HA VAL 17 8.490 -6.468 4.454 132 HB VAL 17 HB VAL 17 6.057 -6.719 2.624 133 1HG1 VAL 17 1HG1 VAL 17 6.247 -6.168 5.277 134 2HG1 VAL 17 2HG1 VAL 17 6.300 -4.538 4.584 135 3HG1 VAL 17 3HG1 VAL 17 4.938 -5.610 4.242 136 1HG2 VAL 17 1HG2 VAL 17 8.332 -5.085 2.213 137 2HG2 VAL 17 2HG2 VAL 17 6.763 -4.912 1.434 138 3HG2 VAL 17 3HG2 VAL 17 7.106 -4.031 2.915 139 H ALA 18 H ALA 18 8.516 -8.115 5.821 140 HA ALA 18 HA ALA 18 7.341 -10.743 5.175 141 1HB ALA 18 1HB ALA 18 8.937 -9.599 7.465 142 2HB ALA 18 2HB ALA 18 8.361 -11.269 7.432 143 3HB ALA 18 3HB ALA 18 9.505 -10.705 6.208 144 H ASP 19 H ASP 19 6.555 -11.719 7.476 145 HA ASP 19 HA ASP 19 3.936 -10.682 7.924 146 1HB ASP 19 1HB ASP 19 3.900 -12.802 8.700 147 2HB ASP 19 2HB ASP 19 5.642 -12.896 8.605 148 H GLY 20 H GLY 20 3.713 -8.686 8.829 149 1HA GLY 20 1HA GLY 20 3.713 -7.494 11.018 150 2HA GLY 20 2HA GLY 20 5.354 -8.088 11.254 151 H VAL 21 H VAL 21 5.747 -7.392 8.159 152 HA VAL 21 HA VAL 21 6.473 -4.589 8.813 153 HB VAL 21 HB VAL 21 7.224 -6.471 6.559 154 1HG1 VAL 21 1HG1 VAL 21 6.927 -3.763 6.250 155 2HG1 VAL 21 2HG1 VAL 21 8.621 -3.920 6.700 156 3HG1 VAL 21 3HG1 VAL 21 8.001 -4.786 5.298 157 1HG2 VAL 21 1HG2 VAL 21 8.851 -5.037 8.631 158 2HG2 VAL 21 2HG2 VAL 21 8.435 -6.755 8.675 159 3HG2 VAL 21 3HG2 VAL 21 9.470 -6.131 7.381 160 H SER 22 H SER 22 5.431 -2.938 7.812 161 HA SER 22 HA SER 22 3.088 -3.693 6.129 162 1HB SER 22 1HB SER 22 3.104 -0.927 6.553 163 2HB SER 22 2HB SER 22 2.219 -2.105 7.519 164 HG SER 22 HG SER 22 3.613 -1.843 9.076 165 H LEU 23 H LEU 23 2.941 -2.956 3.966 166 HA LEU 23 HA LEU 23 5.261 -2.655 2.438 167 1HB LEU 23 1HB LEU 23 2.440 -1.660 2.228 168 2HB LEU 23 2HB LEU 23 3.580 -1.411 0.935 169 HG LEU 23 HG LEU 23 2.597 -4.041 2.008 170 1HD1 LEU 23 1HD1 LEU 23 1.365 -2.740 0.210 171 2HD1 LEU 23 2HD1 LEU 23 2.785 -3.003 -0.801 172 3HD1 LEU 23 3HD1 LEU 23 1.847 -4.381 -0.224 173 1HD2 LEU 23 1HD2 LEU 23 4.961 -3.421 0.281 174 2HD2 LEU 23 2HD2 LEU 23 4.945 -4.351 1.778 175 3HD2 LEU 23 3HD2 LEU 23 4.198 -5.005 0.316 176 H MET 24 H MET 24 3.552 -0.396 4.430 177 HA MET 24 HA MET 24 4.768 2.033 3.457 178 1HB MET 24 1HB MET 24 2.775 2.368 4.516 179 2HB MET 24 2HB MET 24 3.037 1.011 5.601 180 1HG MET 24 1HG MET 24 3.441 2.620 7.173 181 2HG MET 24 2HG MET 24 4.996 2.820 6.379 182 1HE MET 24 1HE MET 24 5.346 4.707 7.228 183 2HE MET 24 2HE MET 24 5.444 5.892 5.927 184 3HE MET 24 3HE MET 24 4.346 6.166 7.279 185 H GLN 25 H GLN 25 5.760 -0.530 5.473 186 HA GLN 25 HA GLN 25 7.886 1.024 6.806 187 1HB GLN 25 1HB GLN 25 6.884 -0.627 8.161 188 2HB GLN 25 2HB GLN 25 6.791 -1.779 6.828 189 1HG GLN 25 1HG GLN 25 9.167 -2.162 6.892 190 2HG GLN 25 2HG GLN 25 9.413 -0.815 7.998 191 1HE2 GLN 25 1HE2 GLN 25 6.603 -2.199 9.103 192 2HE2 GLN 25 2HE2 GLN 25 7.252 -3.297 10.220 193 H ALA 26 H ALA 26 7.998 -2.152 5.022 194 HA ALA 26 HA ALA 26 10.676 -1.957 4.209 195 1HB ALA 26 1HB ALA 26 8.844 -3.768 3.890 196 2HB ALA 26 2HB ALA 26 8.489 -2.929 2.375 197 3HB ALA 26 3HB ALA 26 10.087 -3.624 2.643 198 H ALA 27 H ALA 27 7.852 -0.642 2.338 199 HA ALA 27 HA ALA 27 9.163 0.474 0.129 200 1HB ALA 27 1HB ALA 27 6.939 1.603 1.846 201 2HB ALA 27 2HB ALA 27 7.319 2.152 0.213 202 3HB ALA 27 3HB ALA 27 6.747 0.505 0.480 203 H VAL 28 H VAL 28 8.696 1.993 3.301 204 HA VAL 28 HA VAL 28 10.262 4.348 2.656 205 HB VAL 28 HB VAL 28 8.512 3.288 4.657 206 1HG1 VAL 28 1HG1 VAL 28 10.598 2.816 5.956 207 2HG1 VAL 28 2HG1 VAL 28 11.031 4.521 5.833 208 3HG1 VAL 28 3HG1 VAL 28 9.586 4.040 6.722 209 1HG2 VAL 28 1HG2 VAL 28 8.947 5.652 3.373 210 2HG2 VAL 28 2HG2 VAL 28 7.900 5.475 4.782 211 3HG2 VAL 28 3HG2 VAL 28 9.560 6.036 4.982 212 H SER 29 H SER 29 11.194 1.199 3.039 213 HA SER 29 HA SER 29 13.734 1.771 4.482 214 1HB SER 29 1HB SER 29 13.188 -0.256 5.314 215 2HB SER 29 2HB SER 29 11.809 -0.295 4.223 216 HG SER 29 HG SER 29 13.737 -1.920 4.112 217 H ASN 30 H ASN 30 12.385 0.815 1.376 218 HA ASN 30 HA ASN 30 15.054 0.363 0.207 219 1HB ASN 30 1HB ASN 30 12.189 0.071 -0.747 220 2HB ASN 30 2HB ASN 30 13.594 -0.386 -1.690 221 1HD2 ASN 30 2HD2 ASN 30 12.161 -0.985 1.531 222 2HD2 ASN 30 1HD2 ASN 30 12.641 -2.610 1.623 223 H GLY 31 H GLY 31 12.995 2.865 0.902 224 1HA GLY 31 1HA GLY 31 13.277 5.144 0.203 225 2HA GLY 31 2HA GLY 31 14.246 4.588 -1.162 226 H ILE 32 H ILE 32 11.223 3.020 -0.563 227 HA ILE 32 HA ILE 32 10.182 3.753 -3.164 228 HB ILE 32 HB ILE 32 9.206 2.265 -0.736 229 1HG1 ILE 32 1HG1 ILE 32 10.215 1.563 -3.492 230 2HG1 ILE 32 2HG1 ILE 32 10.851 1.050 -1.930 231 1HG2 ILE 32 1HG2 ILE 32 7.409 3.479 -2.351 232 2HG2 ILE 32 2HG2 ILE 32 7.698 2.011 -3.289 233 3HG2 ILE 32 3HG2 ILE 32 7.125 1.895 -1.623 234 1HD1 ILE 32 1HD1 ILE 32 8.768 -0.234 -1.536 235 2HD1 ILE 32 2HD1 ILE 32 8.196 0.226 -3.133 236 3HD1 ILE 32 3HD1 ILE 32 9.625 -0.792 -2.968 237 H TYR 33 H TYR 33 8.924 4.323 0.075 238 HA TYR 33 HA TYR 33 7.212 6.506 -0.849 239 1HB TYR 33 1HB TYR 33 7.896 5.333 1.855 240 2HB TYR 33 2HB TYR 33 6.664 6.569 1.587 241 HD1 TYR 33 HD1 TYR 33 5.977 5.456 -1.274 242 HD2 TYR 33 HD2 TYR 33 6.240 3.666 2.622 243 HE1 TYR 33 HE1 TYR 33 4.384 3.742 -1.969 244 HE2 TYR 33 HE2 TYR 33 4.641 1.920 1.909 245 HH TYR 33 HH TYR 33 2.776 2.183 -0.938 246 H ASP 34 H ASP 34 9.759 7.197 -1.511 247 HA ASP 34 HA ASP 34 11.431 8.537 0.281 248 1HB ASP 34 1HB ASP 34 11.977 9.951 -1.723 249 2HB ASP 34 2HB ASP 34 11.905 8.228 -2.093 250 H ILE 35 H ILE 35 8.207 9.416 -0.715 251 HA ILE 35 HA ILE 35 8.303 12.233 -0.129 252 HB ILE 35 HB ILE 35 5.991 10.274 0.060 253 1HG1 ILE 35 1HG1 ILE 35 7.030 9.931 -2.077 254 2HG1 ILE 35 2HG1 ILE 35 5.644 10.984 -2.363 255 1HG2 ILE 35 1HG2 ILE 35 6.257 13.256 -0.162 256 2HG2 ILE 35 2HG2 ILE 35 4.865 12.460 -0.897 257 3HG2 ILE 35 3HG2 ILE 35 5.156 12.306 0.836 258 1HD1 ILE 35 1HD1 ILE 35 7.155 12.958 -2.249 259 2HD1 ILE 35 2HD1 ILE 35 8.529 11.868 -2.059 260 3HD1 ILE 35 3HD1 ILE 35 7.595 11.857 -3.554 261 H VAL 36 H VAL 36 6.800 13.070 1.769 262 HA VAL 36 HA VAL 36 7.855 11.871 4.276 263 HB VAL 36 HB VAL 36 6.431 14.462 3.591 264 1HG1 VAL 36 1HG1 VAL 36 6.002 13.658 5.930 265 2HG1 VAL 36 2HG1 VAL 36 7.746 13.647 6.199 266 3HG1 VAL 36 3HG1 VAL 36 6.913 15.166 5.865 267 1HG2 VAL 36 1HG2 VAL 36 9.304 13.664 4.068 268 2HG2 VAL 36 2HG2 VAL 36 8.625 14.559 2.708 269 3HG2 VAL 36 3HG2 VAL 36 8.771 15.331 4.286 270 H GLY 37 H GLY 37 6.316 9.992 4.113 271 1HA GLY 37 1HA GLY 37 3.560 10.779 4.979 272 2HA GLY 37 2HA GLY 37 3.878 9.352 3.992 273 H ASP 38 H ASP 38 5.056 10.739 7.082 274 HA ASP 38 HA ASP 38 4.933 7.962 8.215 275 1HB ASP 38 1HB ASP 38 6.782 8.919 9.725 276 2HB ASP 38 2HB ASP 38 7.210 8.664 8.032 277 H CYS 39 H CYS 39 2.586 8.804 8.651 278 HA CYS 39 HA CYS 39 2.374 10.765 10.851 279 1HB CYS 39 1HB CYS 39 0.003 10.537 10.435 280 2HB CYS 39 2HB CYS 39 0.810 10.566 8.868 281 H GLY 40 H GLY 40 3.690 8.017 11.171 282 1HA GLY 40 1HA GLY 40 3.795 6.399 12.867 283 2HA GLY 40 2HA GLY 40 2.714 7.436 13.798 284 H GLY 41 H GLY 41 1.917 6.131 10.622 285 1HA GLY 41 1HA GLY 41 0.076 4.819 9.974 286 2HA GLY 41 2HA GLY 41 0.569 3.777 11.310 287 H SER 42 H SER 42 -0.300 7.055 12.034 288 HA SER 42 HA SER 42 -2.607 6.089 13.611 289 1HB SER 42 1HB SER 42 -2.460 8.305 14.599 290 2HB SER 42 2HB SER 42 -0.827 7.663 14.447 291 HG SER 42 HG SER 42 -0.387 9.149 13.014 292 H ALA 43 H ALA 43 -2.348 6.706 10.461 293 HA ALA 43 HA ALA 43 -3.883 7.399 8.801 294 1HB ALA 43 1HB ALA 43 -5.290 5.938 10.302 295 2HB ALA 43 2HB ALA 43 -5.785 7.394 11.165 296 3HB ALA 43 3HB ALA 43 -6.211 7.188 9.466 297 H SER 44 H SER 44 -2.381 9.493 9.440 298 HA SER 44 HA SER 44 -4.329 11.735 9.858 299 1HB SER 44 1HB SER 44 -3.142 11.622 11.888 300 2HB SER 44 2HB SER 44 -1.644 11.148 11.092 301 HG SER 44 HG SER 44 -1.200 13.198 11.165 302 H CYS 45 H CYS 45 -2.567 10.320 7.566 303 HA CYS 45 HA CYS 45 -1.784 12.931 6.327 304 1HB CYS 45 1HB CYS 45 0.334 12.079 5.783 305 2HB CYS 45 2HB CYS 45 0.056 11.370 7.369 306 H ALA 46 H ALA 46 -1.128 12.198 3.839 307 HA ALA 46 HA ALA 46 -3.135 10.259 2.816 308 1HB ALA 46 1HB ALA 46 -4.068 12.639 3.106 309 2HB ALA 46 2HB ALA 46 -2.989 13.099 1.789 310 3HB ALA 46 3HB ALA 46 -4.260 11.907 1.513 311 H THR 47 H THR 47 -0.020 11.175 2.796 312 HA THR 47 HA THR 47 0.499 11.234 -0.096 313 HB THR 47 HB THR 47 1.826 12.454 1.648 314 HG1 THR 47 HG1 THR 47 2.664 11.473 -0.445 315 1HG2 THR 47 1HG2 THR 47 1.624 10.381 3.224 316 2HG2 THR 47 2HG2 THR 47 3.059 9.811 2.371 317 3HG2 THR 47 3HG2 THR 47 3.106 11.337 3.255 318 H CYS 48 H CYS 48 0.074 8.856 2.343 319 HA CYS 48 HA CYS 48 1.621 6.759 0.947 320 1HB CYS 48 1HB CYS 48 0.800 5.408 2.880 321 2HB CYS 48 2HB CYS 48 1.591 6.899 3.392 322 H HIS 49 H HIS 49 -0.787 8.086 -0.312 323 HA HIS 49 HA HIS 49 -3.009 6.228 -0.302 324 1HB HIS 49 1HB HIS 49 -3.291 8.554 -0.928 325 2HB HIS 49 2HB HIS 49 -2.027 8.430 -2.148 326 HD1 HIS 49 HD1 HIS 49 -4.759 5.884 -1.684 327 HD2 HIS 49 HD2 HIS 49 -3.685 8.821 -4.395 328 HE1 HIS 49 HE1 HIS 49 -6.224 5.545 -3.672 329 H VAL 50 H VAL 50 -3.124 4.262 -1.324 330 HA VAL 50 HA VAL 50 -1.696 3.885 -3.873 331 HB VAL 50 HB VAL 50 -0.013 2.549 -3.105 332 1HG1 VAL 50 1HG1 VAL 50 0.179 4.471 -1.568 333 2HG1 VAL 50 2HG1 VAL 50 -0.872 3.648 -0.416 334 3HG1 VAL 50 3HG1 VAL 50 0.714 2.979 -0.795 335 1HG2 VAL 50 1HG2 VAL 50 -2.181 1.429 -1.338 336 2HG2 VAL 50 2HG2 VAL 50 -1.255 0.622 -2.624 337 3HG2 VAL 50 3HG2 VAL 50 -0.482 0.981 -1.059 338 H TYR 51 H TYR 51 -1.927 1.321 -4.312 339 HA TYR 51 HA TYR 51 -4.652 0.446 -3.513 340 1HB TYR 51 1HB TYR 51 -3.396 0.942 -6.176 341 2HB TYR 51 2HB TYR 51 -4.840 -0.031 -5.996 342 HD1 TYR 51 HD1 TYR 51 -6.895 0.939 -5.010 343 HD2 TYR 51 HD2 TYR 51 -3.451 3.352 -5.880 344 HE1 TYR 51 HE1 TYR 51 -8.259 2.964 -4.876 345 HE2 TYR 51 HE2 TYR 51 -4.850 5.382 -5.785 346 HH TYR 51 HH TYR 51 -7.791 5.545 -4.413 347 H VAL 52 H VAL 52 -4.098 -1.510 -2.532 348 HA VAL 52 HA VAL 52 -1.847 -3.101 -3.367 349 HB VAL 52 HB VAL 52 -4.209 -3.947 -1.676 350 1HG1 VAL 52 1HG1 VAL 52 -2.231 -5.474 -2.312 351 2HG1 VAL 52 2HG1 VAL 52 -1.312 -4.506 -1.158 352 3HG1 VAL 52 3HG1 VAL 52 -2.731 -5.408 -0.620 353 1HG2 VAL 52 1HG2 VAL 52 -1.961 -2.077 -0.928 354 2HG2 VAL 52 2HG2 VAL 52 -3.702 -1.807 -0.775 355 3HG2 VAL 52 3HG2 VAL 52 -2.894 -2.982 0.269 356 H ASN 53 H ASN 53 -1.857 -4.744 -4.903 357 HA ASN 53 HA ASN 53 -3.946 -5.192 -6.715 358 1HB ASN 53 1HB ASN 53 -1.867 -6.110 -7.229 359 2HB ASN 53 2HB ASN 53 -1.678 -6.843 -5.636 360 1HD2 ASN 53 2HD2 ASN 53 -1.217 -8.904 -6.859 361 2HD2 ASN 53 1HD2 ASN 53 -2.516 -9.818 -7.456 362 H GLU 54 H GLU 54 -5.750 -6.620 -6.722 363 HA GLU 54 HA GLU 54 -7.129 -7.046 -4.289 364 1HB GLU 54 1HB GLU 54 -8.449 -8.690 -5.821 365 2HB GLU 54 2HB GLU 54 -8.393 -6.985 -6.263 366 1HG GLU 54 1HG GLU 54 -7.018 -7.352 -8.065 367 2HG GLU 54 2HG GLU 54 -6.213 -8.727 -7.307 368 H ALA 55 H ALA 55 -4.444 -8.848 -5.417 369 HA ALA 55 HA ALA 55 -5.357 -11.351 -4.096 370 1HB ALA 55 1HB ALA 55 -3.673 -10.654 -6.263 371 2HB ALA 55 2HB ALA 55 -2.608 -11.340 -5.033 372 3HB ALA 55 3HB ALA 55 -3.979 -12.274 -5.639 373 H PHE 56 H PHE 56 -4.215 -8.561 -2.948 374 HA PHE 56 HA PHE 56 -2.759 -9.913 -0.718 375 1HB PHE 56 1HB PHE 56 -1.888 -7.517 -2.355 376 2HB PHE 56 2HB PHE 56 -1.108 -8.004 -0.842 377 HD1 PHE 56 HD1 PHE 56 -1.910 -9.045 -4.295 378 HD2 PHE 56 HD2 PHE 56 0.348 -9.921 -0.744 379 HE1 PHE 56 HE1 PHE 56 -0.663 -10.795 -5.523 380 HE2 PHE 56 HE2 PHE 56 1.525 -11.722 -1.929 381 HZ PHE 56 HZ PHE 56 1.052 -12.134 -4.355 382 H THR 57 H THR 57 -5.301 -8.083 -1.624 383 HA THR 57 HA THR 57 -5.198 -6.146 0.623 384 HB THR 57 HB THR 57 -7.193 -5.268 -0.433 385 HG1 THR 57 HG1 THR 57 -8.448 -6.928 -0.924 386 1HG2 THR 57 1HG2 THR 57 -4.796 -5.763 -1.880 387 2HG2 THR 57 2HG2 THR 57 -6.141 -5.945 -3.008 388 3HG2 THR 57 3HG2 THR 57 -5.944 -4.446 -2.101 389 H ASP 58 H ASP 58 -6.967 -9.017 -0.501 390 HA ASP 58 HA ASP 58 -8.508 -9.165 2.006 391 1HB ASP 58 1HB ASP 58 -10.021 -9.922 0.487 392 2HB ASP 58 2HB ASP 58 -8.784 -9.882 -0.768 393 H LYS 59 H LYS 59 -5.547 -10.116 1.021 394 HA LYS 59 HA LYS 59 -5.503 -12.759 2.396 395 1HB LYS 59 1HB LYS 59 -3.229 -11.283 1.128 396 2HB LYS 59 2HB LYS 59 -3.516 -13.026 1.184 397 1HG LYS 59 1HG LYS 59 -5.734 -12.014 -0.200 398 2HG LYS 59 2HG LYS 59 -4.373 -11.081 -0.835 399 1HD LYS 59 1HD LYS 59 -4.714 -13.163 -2.127 400 2HD LYS 59 2HD LYS 59 -3.162 -13.193 -1.291 401 1HE LYS 59 1HE LYS 59 -3.903 -14.760 0.301 402 2HE LYS 59 2HE LYS 59 -5.613 -14.380 0.013 403 1HZ LYS 59 1HZ LYS 59 -3.970 -15.331 -2.226 404 2HZ LYS 59 2HZ LYS 59 -4.531 -16.467 -1.098 405 3HZ LYS 59 3HZ LYS 59 -5.638 -15.511 -1.962 406 H VAL 60 H VAL 60 -3.932 -9.668 2.234 407 HA VAL 60 HA VAL 60 -2.441 -9.910 4.707 408 HB VAL 60 HB VAL 60 -2.608 -8.487 2.263 409 1HG1 VAL 60 1HG1 VAL 60 -3.360 -6.727 4.345 410 2HG1 VAL 60 2HG1 VAL 60 -1.741 -6.305 3.807 411 3HG1 VAL 60 3HG1 VAL 60 -3.071 -6.364 2.646 412 1HG2 VAL 60 1HG2 VAL 60 -0.703 -9.225 4.239 413 2HG2 VAL 60 2HG2 VAL 60 -0.570 -9.150 2.480 414 3HG2 VAL 60 3HG2 VAL 60 -0.307 -7.690 3.457 415 HA PRO 61 HA PRO 61 -5.330 -8.170 7.476 416 1HB PRO 61 1HB PRO 61 -4.493 -5.686 8.314 417 2HB PRO 61 2HB PRO 61 -3.805 -7.220 8.887 418 1HG PRO 61 1HG PRO 61 -2.789 -5.351 6.807 419 2HG PRO 61 2HG PRO 61 -1.906 -6.250 8.048 420 1HD PRO 61 1HD PRO 61 -1.971 -7.045 5.489 421 2HD PRO 61 2HD PRO 61 -1.893 -8.203 6.784 422 H ALA 62 H ALA 62 -7.245 -7.548 7.097 423 HA ALA 62 HA ALA 62 -8.059 -6.010 4.817 424 1HB ALA 62 1HB ALA 62 -9.070 -7.877 6.684 425 2HB ALA 62 2HB ALA 62 -10.118 -6.460 6.763 426 3HB ALA 62 3HB ALA 62 -9.866 -7.284 5.224 427 H ALA 63 H ALA 63 -6.601 -4.205 5.966 428 HA ALA 63 HA ALA 63 -7.282 -2.560 8.049 429 1HB ALA 63 1HB ALA 63 -5.542 -2.235 6.223 430 2HB ALA 63 2HB ALA 63 -6.825 -1.541 5.232 431 3HB ALA 63 3HB ALA 63 -6.353 -0.756 6.739 432 H ASN 64 H ASN 64 -9.388 -2.204 8.697 433 HA ASN 64 HA ASN 64 -11.522 -1.710 6.731 434 1HB ASN 64 1HB ASN 64 -12.946 -2.036 8.600 435 2HB ASN 64 2HB ASN 64 -11.586 -3.117 8.879 436 1HD2 ASN 64 2HD2 ASN 64 -9.859 -0.631 9.574 437 2HD2 ASN 64 1HD2 ASN 64 -10.324 -0.256 11.160 438 H GLU 65 H GLU 65 -12.911 -0.020 8.798 439 HA GLU 65 HA GLU 65 -13.059 2.461 7.832 440 1HB GLU 65 1HB GLU 65 -13.591 3.204 10.048 441 2HB GLU 65 2HB GLU 65 -13.991 1.486 9.994 442 1HG GLU 65 1HG GLU 65 -11.786 0.957 11.001 443 2HG GLU 65 2HG GLU 65 -11.436 2.683 11.105 444 H ARG 66 H ARG 66 -10.204 1.393 9.703 445 HA ARG 66 HA ARG 66 -8.883 3.868 9.994 446 1HB ARG 66 1HB ARG 66 -8.308 1.040 10.076 447 2HB ARG 66 2HB ARG 66 -6.975 1.882 9.286 448 1HG ARG 66 1HG ARG 66 -6.787 3.425 11.176 449 2HG ARG 66 2HG ARG 66 -8.174 2.665 11.959 450 1HD ARG 66 1HD ARG 66 -5.863 0.919 11.171 451 2HD ARG 66 2HD ARG 66 -5.718 1.924 12.628 452 HE ARG 66 HE ARG 66 -7.507 -0.358 12.314 453 1HH1 ARG 66 1HH2 ARG 66 -6.104 1.038 14.771 454 2HH1 ARG 66 2HH2 ARG 66 -7.508 1.434 15.705 455 1HH2 ARG 66 1HH1 ARG 66 -9.725 0.868 13.099 456 2HH2 ARG 66 2HH1 ARG 66 -9.558 1.338 14.758 457 H GLU 67 H GLU 67 -8.012 1.519 7.454 458 HA GLU 67 HA GLU 67 -6.737 3.374 5.723 459 1HB GLU 67 1HB GLU 67 -7.289 0.640 5.891 460 2HB GLU 67 2HB GLU 67 -8.090 1.148 4.404 461 1HG GLU 67 1HG GLU 67 -5.823 0.536 3.847 462 2HG GLU 67 2HG GLU 67 -5.948 2.292 3.738 463 H ILE 68 H ILE 68 -10.018 1.970 5.499 464 HA ILE 68 HA ILE 68 -10.995 3.212 3.242 465 HB ILE 68 HB ILE 68 -12.114 2.329 5.869 466 1HG1 ILE 68 1HG1 ILE 68 -13.447 0.931 4.140 467 2HG1 ILE 68 2HG1 ILE 68 -12.299 1.568 2.956 468 1HG2 ILE 68 1HG2 ILE 68 -13.440 4.346 5.306 469 2HG2 ILE 68 2HG2 ILE 68 -13.756 3.679 3.704 470 3HG2 ILE 68 3HG2 ILE 68 -14.397 2.874 5.137 471 1HD1 ILE 68 1HD1 ILE 68 -11.512 0.114 5.500 472 2HD1 ILE 68 2HD1 ILE 68 -11.583 -0.632 3.903 473 3HD1 ILE 68 3HD1 ILE 68 -10.424 0.659 4.224 474 H GLY 69 H GLY 69 -10.145 4.795 6.241 475 1HA GLY 69 1HA GLY 69 -11.704 7.200 5.562 476 2HA GLY 69 2HA GLY 69 -10.656 7.019 6.964 477 H MET 70 H MET 70 -8.282 7.089 6.561 478 HA MET 70 HA MET 70 -7.343 9.279 5.124 479 1HB MET 70 1HB MET 70 -5.172 7.870 5.041 480 2HB MET 70 2HB MET 70 -5.891 8.129 6.627 481 1HG MET 70 1HG MET 70 -7.169 5.828 5.737 482 2HG MET 70 2HG MET 70 -5.527 5.630 5.141 483 1HE MET 70 1HE MET 70 -4.975 3.900 6.085 484 2HE MET 70 2HE MET 70 -4.051 3.864 7.589 485 3HE MET 70 3HE MET 70 -5.731 3.314 7.576 486 H LEU 71 H LEU 71 -7.890 5.979 3.957 487 HA LEU 71 HA LEU 71 -6.910 6.298 1.264 488 1HB LEU 71 1HB LEU 71 -7.462 4.184 2.518 489 2HB LEU 71 2HB LEU 71 -9.152 4.629 2.396 490 HG LEU 71 HG LEU 71 -7.854 3.050 0.613 491 1HD1 LEU 71 1HD1 LEU 71 -10.307 4.773 0.515 492 2HD1 LEU 71 2HD1 LEU 71 -9.852 3.819 -0.897 493 3HD1 LEU 71 3HD1 LEU 71 -10.191 3.016 0.643 494 1HD2 LEU 71 1HD2 LEU 71 -8.044 5.809 -0.570 495 2HD2 LEU 71 2HD2 LEU 71 -6.549 4.940 -0.273 496 3HD2 LEU 71 3HD2 LEU 71 -7.688 4.343 -1.494 497 H GLU 72 H GLU 72 -10.196 6.487 2.668 498 HA GLU 72 HA GLU 72 -11.606 7.358 0.372 499 1HB GLU 72 1HB GLU 72 -12.918 6.793 2.222 500 2HB GLU 72 2HB GLU 72 -11.821 7.576 3.356 501 1HG GLU 72 1HG GLU 72 -12.993 9.483 3.314 502 2HG GLU 72 2HG GLU 72 -13.020 9.513 1.548 503 H CYS 73 H CYS 73 -9.350 8.989 2.476 504 HA CYS 73 HA CYS 73 -10.050 11.721 1.833 505 1HB CYS 73 1HB CYS 73 -8.238 10.233 3.469 506 2HB CYS 73 2HB CYS 73 -7.293 11.400 2.545 507 HG CYS 73 HG CYS 73 -9.801 12.383 4.120 508 H VAL 74 H VAL 74 -7.406 9.575 0.676 509 HA VAL 74 HA VAL 74 -6.043 11.143 -1.130 510 HB VAL 74 HB VAL 74 -5.641 9.121 -2.366 511 1HG1 VAL 74 1HG1 VAL 74 -5.093 9.245 0.195 512 2HG1 VAL 74 2HG1 VAL 74 -6.381 8.050 0.347 513 3HG1 VAL 74 3HG1 VAL 74 -4.961 7.694 -0.634 514 1HG2 VAL 74 1HG2 VAL 74 -8.431 8.737 -1.698 515 2HG2 VAL 74 2HG2 VAL 74 -7.484 7.998 -2.994 516 3HG2 VAL 74 3HG2 VAL 74 -7.483 7.276 -1.385 517 H THR 75 H THR 75 -6.374 11.534 -3.493 518 HA THR 75 HA THR 75 -9.270 11.734 -4.217 519 HB THR 75 HB THR 75 -6.868 13.521 -4.707 520 HG1 THR 75 HG1 THR 75 -8.022 14.939 -3.473 521 1HG2 THR 75 1HG2 THR 75 -9.531 13.385 -6.047 522 2HG2 THR 75 2HG2 THR 75 -8.815 14.969 -5.750 523 3HG2 THR 75 3HG2 THR 75 -7.952 13.778 -6.723 524 H ALA 76 H ALA 76 -7.441 9.454 -4.777 525 HA ALA 76 HA ALA 76 -7.096 9.840 -7.728 526 1HB ALA 76 1HB ALA 76 -5.367 9.039 -5.674 527 2HB ALA 76 2HB ALA 76 -5.734 7.562 -6.565 528 3HB ALA 76 3HB ALA 76 -5.056 8.956 -7.410 529 H GLU 77 H GLU 77 -6.711 7.308 -8.433 530 HA GLU 77 HA GLU 77 -9.190 6.266 -9.133 531 1HB GLU 77 1HB GLU 77 -7.632 5.393 -10.465 532 2HB GLU 77 2HB GLU 77 -6.380 5.790 -9.309 533 1HG GLU 77 1HG GLU 77 -6.613 3.653 -8.224 534 2HG GLU 77 2HG GLU 77 -8.083 3.297 -9.136 535 H LEU 78 H LEU 78 -9.985 6.449 -6.591 536 HA LEU 78 HA LEU 78 -9.089 4.408 -4.846 537 1HB LEU 78 1HB LEU 78 -10.756 6.444 -4.448 538 2HB LEU 78 2HB LEU 78 -11.938 5.122 -4.575 539 HG LEU 78 HG LEU 78 -9.861 3.996 -3.197 540 1HD1 LEU 78 1HD1 LEU 78 -9.861 6.844 -2.620 541 2HD1 LEU 78 2HD1 LEU 78 -9.815 5.763 -1.222 542 3HD1 LEU 78 3HD1 LEU 78 -8.586 5.623 -2.480 543 1HD2 LEU 78 1HD2 LEU 78 -12.557 4.429 -2.780 544 2HD2 LEU 78 2HD2 LEU 78 -11.469 3.349 -1.893 545 3HD2 LEU 78 3HD2 LEU 78 -11.748 5.009 -1.315 546 H LYS 79 H LYS 79 -9.893 2.543 -4.181 547 HA LYS 79 HA LYS 79 -11.268 0.905 -6.265 548 1HB LYS 79 1HB LYS 79 -8.765 0.865 -4.624 549 2HB LYS 79 2HB LYS 79 -9.382 -0.652 -5.301 550 1HG LYS 79 1HG LYS 79 -8.992 1.786 -7.031 551 2HG LYS 79 2HG LYS 79 -7.646 0.712 -6.680 552 1HD LYS 79 1HD LYS 79 -8.383 -0.861 -8.051 553 2HD LYS 79 2HD LYS 79 -10.026 -0.749 -7.429 554 1HE LYS 79 1HE LYS 79 -9.692 1.633 -8.852 555 2HE LYS 79 2HE LYS 79 -8.919 0.403 -9.871 556 1HZ LYS 79 1HZ LYS 79 -11.598 0.126 -8.616 557 2HZ LYS 79 2HZ LYS 79 -11.336 0.535 -10.241 558 3HZ LYS 79 3HZ LYS 79 -10.855 -0.988 -9.662 559 HA PRO 80 HA PRO 80 -13.292 -1.126 -2.840 560 1HB PRO 80 1HB PRO 80 -13.056 -3.769 -3.509 561 2HB PRO 80 2HB PRO 80 -14.164 -2.672 -4.358 562 1HG PRO 80 1HG PRO 80 -11.501 -3.695 -5.183 563 2HG PRO 80 2HG PRO 80 -12.932 -3.344 -6.164 564 1HD PRO 80 1HD PRO 80 -10.735 -1.704 -5.982 565 2HD PRO 80 2HD PRO 80 -12.362 -1.155 -6.434 566 H ASN 81 H ASN 81 -10.124 -2.153 -3.878 567 HA ASN 81 HA ASN 81 -9.430 -3.191 -1.167 568 1HB ASN 81 1HB ASN 81 -7.950 -4.569 -2.292 569 2HB ASN 81 2HB ASN 81 -9.078 -4.278 -3.612 570 1HD2 ASN 81 2HD2 ASN 81 -8.138 -3.461 -5.504 571 2HD2 ASN 81 1HD2 ASN 81 -6.627 -2.706 -5.596 572 H SER 82 H SER 82 -9.539 -0.266 -2.475 573 HA SER 82 HA SER 82 -7.068 0.980 -2.650 574 1HB SER 82 1HB SER 82 -9.744 1.645 -1.584 575 2HB SER 82 2HB SER 82 -8.416 2.719 -1.173 576 HG SER 82 HG SER 82 -8.232 3.308 -3.121 577 H ARG 83 H ARG 83 -5.502 1.727 -1.146 578 HA ARG 83 HA ARG 83 -5.966 1.368 1.728 579 1HB ARG 83 1HB ARG 83 -5.038 -0.802 0.057 580 2HB ARG 83 2HB ARG 83 -3.837 -0.413 1.289 581 1HG ARG 83 1HG ARG 83 -5.212 -1.020 3.019 582 2HG ARG 83 2HG ARG 83 -6.674 -0.505 2.163 583 1HD ARG 83 1HD ARG 83 -6.952 -2.547 1.152 584 2HD ARG 83 2HD ARG 83 -5.205 -2.823 1.003 585 HE ARG 83 HE ARG 83 -5.655 -2.837 3.741 586 1HH1 ARG 83 1HH1 ARG 83 -8.353 -3.883 3.254 587 2HH1 ARG 83 2HH1 ARG 83 -8.100 -5.588 3.096 588 1HH2 ARG 83 1HH2 ARG 83 -4.680 -5.311 2.632 589 2HH2 ARG 83 2HH2 ARG 83 -6.015 -6.399 2.784 590 H LEU 84 H LEU 84 -4.180 1.963 3.013 591 HA LEU 84 HA LEU 84 -2.093 3.547 1.589 592 1HB LEU 84 1HB LEU 84 -3.100 3.674 4.458 593 2HB LEU 84 2HB LEU 84 -1.989 4.809 3.700 594 HG LEU 84 HG LEU 84 -4.945 4.509 3.323 595 1HD1 LEU 84 1HD1 LEU 84 -3.716 6.319 4.677 596 2HD1 LEU 84 2HD1 LEU 84 -3.201 6.966 3.119 597 3HD1 LEU 84 3HD1 LEU 84 -4.917 6.872 3.510 598 1HD2 LEU 84 1HD2 LEU 84 -2.959 5.106 1.159 599 2HD2 LEU 84 2HD2 LEU 84 -4.515 4.284 1.051 600 3HD2 LEU 84 3HD2 LEU 84 -4.453 6.039 1.199 601 H CYS 85 H CYS 85 -0.247 2.415 1.474 602 HA CYS 85 HA CYS 85 0.483 0.001 2.403 603 1HB CYS 85 1HB CYS 85 2.837 0.963 2.394 604 2HB CYS 85 2HB CYS 85 1.869 1.289 0.967 605 HG CYS 85 HG CYS 85 1.878 3.715 1.491 606 H CYS 86 H CYS 86 0.225 2.808 4.560 607 HA CYS 86 HA CYS 86 1.814 1.770 6.718 608 1HB CYS 86 1HB CYS 86 0.333 3.348 8.080 609 2HB CYS 86 2HB CYS 86 1.244 4.063 6.760 610 H GLN 87 H GLN 87 -1.094 0.498 5.499 611 HA GLN 87 HA GLN 87 -1.610 -0.782 8.168 612 1HB GLN 87 1HB GLN 87 -3.244 0.966 7.144 613 2HB GLN 87 2HB GLN 87 -3.704 -0.345 6.056 614 1HG GLN 87 1HG GLN 87 -5.150 -0.247 8.084 615 2HG GLN 87 2HG GLN 87 -4.269 -1.771 7.960 616 1HE2 GLN 87 2HE2 GLN 87 -2.741 1.285 8.951 617 2HE2 GLN 87 1HE2 GLN 87 -2.435 0.808 10.552 618 H ILE 88 H ILE 88 -0.435 -1.451 5.146 619 HA ILE 88 HA ILE 88 -1.819 -4.082 4.945 620 HB ILE 88 HB ILE 88 -0.002 -2.512 3.084 621 1HG1 ILE 88 1HG1 ILE 88 -2.292 -1.633 3.386 622 2HG1 ILE 88 2HG1 ILE 88 -2.066 -2.292 1.766 623 1HG2 ILE 88 1HG2 ILE 88 -0.325 -5.274 3.144 624 2HG2 ILE 88 2HG2 ILE 88 -1.508 -4.742 1.949 625 3HG2 ILE 88 3HG2 ILE 88 0.194 -4.325 1.750 626 1HD1 ILE 88 1HD1 ILE 88 -2.891 -4.503 3.191 627 2HD1 ILE 88 2HD1 ILE 88 -3.834 -3.205 3.923 628 3HD1 ILE 88 3HD1 ILE 88 -3.938 -3.498 2.188 629 H ILE 89 H ILE 89 -0.775 -5.493 6.389 630 HA ILE 89 HA ILE 89 2.186 -5.475 6.609 631 HB ILE 89 HB ILE 89 -0.152 -6.645 8.070 632 1HG1 ILE 89 1HG1 ILE 89 0.732 -5.525 9.890 633 2HG1 ILE 89 2HG1 ILE 89 2.395 -5.769 9.363 634 1HG2 ILE 89 1HG2 ILE 89 2.408 -8.059 7.646 635 2HG2 ILE 89 2HG2 ILE 89 1.926 -7.897 9.336 636 3HG2 ILE 89 3HG2 ILE 89 0.850 -8.685 8.185 637 1HD1 ILE 89 1HD1 ILE 89 0.494 -3.935 7.891 638 2HD1 ILE 89 2HD1 ILE 89 1.511 -3.371 9.218 639 3HD1 ILE 89 3HD1 ILE 89 2.250 -4.019 7.752 640 H MET 90 H MET 90 3.419 -6.871 5.423 641 HA MET 90 HA MET 90 2.072 -8.700 3.598 642 1HB MET 90 1HB MET 90 4.893 -7.814 4.101 643 2HB MET 90 2HB MET 90 4.524 -9.076 2.931 644 1HG MET 90 1HG MET 90 3.881 -6.147 2.835 645 2HG MET 90 2HG MET 90 4.526 -7.186 1.584 646 1HE MET 90 1HE MET 90 2.960 -9.545 1.940 647 2HE MET 90 2HE MET 90 1.208 -9.512 1.631 648 3HE MET 90 3HE MET 90 2.361 -9.267 0.311 649 H THR 91 H THR 91 1.909 -10.888 3.839 650 HA THR 91 HA THR 91 3.316 -12.049 6.233 651 HB THR 91 HB THR 91 1.406 -13.094 6.770 652 HG1 THR 91 HG1 THR 91 1.140 -14.691 5.523 653 1HG2 THR 91 1HG2 THR 91 0.652 -10.773 5.717 654 2HG2 THR 91 2HG2 THR 91 -0.146 -11.847 4.569 655 3HG2 THR 91 3HG2 THR 91 -0.527 -11.953 6.284 656 HA PRO 92 HA PRO 92 5.503 -14.847 3.848 657 1HB PRO 92 1HB PRO 92 4.974 -17.262 5.024 658 2HB PRO 92 2HB PRO 92 6.033 -16.047 5.746 659 1HG PRO 92 1HG PRO 92 3.180 -16.682 6.334 660 2HG PRO 92 2HG PRO 92 4.503 -16.294 7.449 661 1HD PRO 92 1HD PRO 92 2.640 -14.481 6.743 662 2HD PRO 92 2HD PRO 92 4.325 -14.027 7.087 663 H GLU 93 H GLU 93 2.038 -15.121 3.947 664 HA GLU 93 HA GLU 93 2.081 -17.224 1.820 665 1HB GLU 93 1HB GLU 93 -0.507 -16.177 2.030 666 2HB GLU 93 2HB GLU 93 0.055 -17.705 2.691 667 1HG GLU 93 1HG GLU 93 0.865 -16.244 4.672 668 2HG GLU 93 2HG GLU 93 -0.269 -15.049 4.018 669 H LEU 94 H LEU 94 1.649 -13.850 2.363 670 HA LEU 94 HA LEU 94 0.787 -13.305 -0.386 671 1HB LEU 94 1HB LEU 94 1.310 -11.623 2.082 672 2HB LEU 94 2HB LEU 94 0.736 -10.956 0.568 673 HG LEU 94 HG LEU 94 -0.613 -13.252 1.964 674 1HD1 LEU 94 1HD1 LEU 94 -0.571 -10.881 3.111 675 2HD1 LEU 94 2HD1 LEU 94 -1.737 -10.477 1.853 676 3HD1 LEU 94 3HD1 LEU 94 -2.081 -11.779 2.993 677 1HD2 LEU 94 1HD2 LEU 94 -0.668 -12.442 -0.625 678 2HD2 LEU 94 2HD2 LEU 94 -2.022 -13.229 0.198 679 3HD2 LEU 94 3HD2 LEU 94 -1.966 -11.472 0.051 680 H ASP 95 H ASP 95 3.512 -14.405 0.211 681 HA ASP 95 HA ASP 95 5.408 -12.315 -0.195 682 1HB ASP 95 1HB ASP 95 6.700 -14.140 0.217 683 2HB ASP 95 2HB ASP 95 5.295 -15.181 0.033 684 H GLY 96 H GLY 96 5.020 -10.925 -1.919 685 1HA GLY 96 1HA GLY 96 5.586 -10.856 -4.409 686 2HA GLY 96 2HA GLY 96 4.426 -12.172 -4.576 687 H ILE 97 H ILE 97 3.724 -9.661 -2.310 688 HA ILE 97 HA ILE 97 1.208 -9.011 -3.365 689 HB ILE 97 HB ILE 97 1.562 -8.449 -1.109 690 1HG1 ILE 97 1HG1 ILE 97 1.289 -6.102 -0.881 691 2HG1 ILE 97 2HG1 ILE 97 2.221 -5.775 -2.345 692 1HG2 ILE 97 1HG2 ILE 97 4.243 -7.958 -2.052 693 2HG2 ILE 97 2HG2 ILE 97 3.726 -6.673 -0.965 694 3HG2 ILE 97 3HG2 ILE 97 3.688 -8.360 -0.436 695 1HD1 ILE 97 1HD1 ILE 97 0.151 -7.522 -3.073 696 2HD1 ILE 97 2HD1 ILE 97 -0.584 -6.274 -2.080 697 3HD1 ILE 97 3HD1 ILE 97 0.325 -5.832 -3.524 698 H VAL 98 H VAL 98 0.506 -7.548 -4.818 699 HA VAL 98 HA VAL 98 2.573 -5.933 -6.250 700 HB VAL 98 HB VAL 98 -0.185 -6.606 -7.244 701 1HG1 VAL 98 1HG1 VAL 98 2.526 -6.113 -8.479 702 2HG1 VAL 98 2HG1 VAL 98 1.179 -6.768 -9.409 703 3HG1 VAL 98 3HG1 VAL 98 1.052 -5.166 -8.680 704 1HG2 VAL 98 1HG2 VAL 98 2.199 -8.487 -7.192 705 2HG2 VAL 98 2HG2 VAL 98 0.613 -8.779 -6.471 706 3HG2 VAL 98 3HG2 VAL 98 0.793 -8.726 -8.228 707 H VAL 99 H VAL 99 2.432 -3.800 -5.484 708 HA VAL 99 HA VAL 99 -0.225 -2.851 -4.490 709 HB VAL 99 HB VAL 99 2.131 -1.060 -4.331 710 1HG1 VAL 99 1HG1 VAL 99 -0.283 -1.882 -2.883 711 2HG1 VAL 99 2HG1 VAL 99 1.102 -1.605 -1.820 712 3HG1 VAL 99 3HG1 VAL 99 0.543 -0.319 -2.892 713 1HG2 VAL 99 1HG2 VAL 99 2.092 -3.692 -2.811 714 2HG2 VAL 99 2HG2 VAL 99 3.296 -3.214 -4.008 715 3HG2 VAL 99 3HG2 VAL 99 3.175 -2.335 -2.486 716 H ASP 100 H ASP 100 -1.039 -0.814 -5.251 717 HA ASP 100 HA ASP 100 -0.011 -0.094 -7.974 718 1HB ASP 100 1HB ASP 100 -2.549 -1.020 -6.966 719 2HB ASP 100 2HB ASP 100 -2.737 0.521 -7.799 720 H VAL 101 H VAL 101 0.748 1.910 -7.990 721 HA VAL 101 HA VAL 101 -0.115 3.815 -5.896 722 HB VAL 101 HB VAL 101 2.091 3.755 -7.967 723 1HG1 VAL 101 1HG1 VAL 101 1.308 6.067 -7.450 724 2HG1 VAL 101 2HG1 VAL 101 1.650 5.761 -5.747 725 3HG1 VAL 101 3HG1 VAL 101 2.964 5.763 -6.924 726 1HG2 VAL 101 1HG2 VAL 101 2.198 2.182 -5.989 727 2HG2 VAL 101 2HG2 VAL 101 3.542 3.323 -6.086 728 3HG2 VAL 101 3HG2 VAL 101 2.226 3.604 -4.946 729 HA PRO 102 HA PRO 102 -2.587 5.853 -8.964 730 1HB PRO 102 1HB PRO 102 -3.579 7.766 -7.304 731 2HB PRO 102 2HB PRO 102 -4.073 6.067 -7.212 732 1HG PRO 102 1HG PRO 102 -2.354 7.605 -5.405 733 2HG PRO 102 2HG PRO 102 -3.314 6.155 -5.094 734 1HD PRO 102 1HD PRO 102 -0.514 6.319 -5.567 735 2HD PRO 102 2HD PRO 102 -1.502 4.864 -5.344 736 H ASP 103 H ASP 103 -2.908 8.171 -9.754 737 HA ASP 103 HA ASP 103 -0.293 9.562 -9.899 738 1HB ASP 103 1HB ASP 103 -1.830 8.959 -11.864 739 2HB ASP 103 2HB ASP 103 -2.915 10.217 -11.272 740 H ARG 104 H ARG 104 -3.316 9.755 -8.266 741 HA ARG 104 HA ARG 104 -2.832 12.593 -7.456 742 1HB ARG 104 1HB ARG 104 -5.016 11.666 -8.612 743 2HB ARG 104 2HB ARG 104 -5.355 10.996 -7.016 744 1HG ARG 104 1HG ARG 104 -6.108 13.005 -6.347 745 2HG ARG 104 2HG ARG 104 -4.509 13.690 -6.644 746 1HD ARG 104 1HD ARG 104 -6.743 13.407 -8.685 747 2HD ARG 104 2HD ARG 104 -6.125 14.923 -7.996 748 HE ARG 104 HE ARG 104 -4.077 13.220 -9.230 749 1HH1 ARG 104 1HH1 ARG 104 -6.615 14.612 -10.754 750 2HH1 ARG 104 2HH1 ARG 104 -5.720 15.825 -11.607 751 1HH2 ARG 104 1HH2 ARG 104 -2.790 15.291 -9.830 752 2HH2 ARG 104 2HH2 ARG 104 -3.555 16.209 -11.083 753 H GLN 105 H GLN 105 -1.132 11.469 -6.030 754 HA GLN 105 HA GLN 105 -2.323 9.915 -3.823 755 1HB GLN 105 1HB GLN 105 0.022 9.372 -3.342 756 2HB GLN 105 2HB GLN 105 -0.302 9.146 -5.061 757 1HG GLN 105 1HG GLN 105 0.465 11.872 -4.648 758 2HG GLN 105 2HG GLN 105 1.652 10.839 -3.853 759 1HE2 GLN 105 2HE2 GLN 105 1.132 12.314 -6.751 760 2HE2 GLN 105 1HE2 GLN 105 1.893 11.207 -7.789 761 H TRP 106 H TRP 106 -3.237 12.416 -3.520 762 HA TRP 106 HA TRP 106 -1.467 14.260 -2.139 763 1HB TRP 106 1HB TRP 106 -3.375 15.596 -2.073 764 2HB TRP 106 2HB TRP 106 -3.808 14.512 -3.399 765 HD1 TRP 106 HD1 TRP 106 -6.016 13.203 -3.082 766 HE1 TRP 106 HE1 TRP 106 -7.584 12.724 -1.074 767 HE3 TRP 106 HE3 TRP 106 -3.265 15.303 0.599 768 HZ2 TRP 106 HZ2 TRP 106 -7.638 13.241 1.766 769 HZ3 TRP 106 HZ3 TRP 106 -4.063 15.332 2.935 770 HH2 TRP 106 HH2 TRP 106 -6.246 14.301 3.537 Start of MODEL 9 1 3H SER 1 3H SER 1 9.300 -12.277 2.668 2 1H SER 1 1H SER 1 8.554 -10.881 3.287 3 2H SER 1 2H SER 1 8.030 -12.414 3.789 4 HA SER 1 HA SER 1 7.242 -12.910 1.538 5 1HB SER 1 1HB SER 1 6.048 -10.285 2.140 6 2HB SER 1 2HB SER 1 5.291 -11.861 2.065 7 HG SER 1 HG SER 1 5.905 -10.533 4.212 8 H LYS 2 H LYS 2 6.864 -12.041 -0.624 9 HA LYS 2 HA LYS 2 8.885 -10.139 -1.543 10 1HB LYS 2 1HB LYS 2 6.844 -12.009 -2.700 11 2HB LYS 2 2HB LYS 2 7.613 -10.813 -3.729 12 1HG LYS 2 1HG LYS 2 9.704 -11.903 -2.277 13 2HG LYS 2 2HG LYS 2 8.662 -13.280 -2.629 14 1HD LYS 2 1HD LYS 2 9.424 -11.305 -4.779 15 2HD LYS 2 2HD LYS 2 10.461 -12.680 -4.390 16 1HE LYS 2 1HE LYS 2 7.514 -13.052 -4.978 17 2HE LYS 2 2HE LYS 2 8.735 -13.056 -6.268 18 1HZ LYS 2 1HZ LYS 2 9.936 -14.597 -4.485 19 2HZ LYS 2 2HZ LYS 2 8.326 -14.960 -4.098 20 3HZ LYS 2 3HZ LYS 2 8.898 -15.222 -5.676 21 H VAL 3 H VAL 3 8.350 -8.150 -2.496 22 HA VAL 3 HA VAL 3 5.550 -7.265 -2.428 23 HB VAL 3 HB VAL 3 7.970 -6.121 -1.118 24 1HG1 VAL 3 1HG1 VAL 3 6.521 -4.386 -2.361 25 2HG1 VAL 3 2HG1 VAL 3 5.226 -4.823 -1.200 26 3HG1 VAL 3 3HG1 VAL 3 6.757 -4.132 -0.620 27 1HG2 VAL 3 1HG2 VAL 3 5.368 -7.362 -0.335 28 2HG2 VAL 3 2HG2 VAL 3 6.989 -7.749 0.210 29 3HG2 VAL 3 3HG2 VAL 3 6.191 -6.288 0.786 30 H VAL 4 H VAL 4 5.015 -6.072 -4.153 31 HA VAL 4 HA VAL 4 7.226 -4.733 -5.625 32 HB VAL 4 HB VAL 4 5.209 -6.574 -6.892 33 1HG1 VAL 4 1HG1 VAL 4 6.904 -4.555 -7.957 34 2HG1 VAL 4 2HG1 VAL 4 7.560 -6.116 -8.449 35 3HG1 VAL 4 3HG1 VAL 4 5.894 -5.696 -8.846 36 1HG2 VAL 4 1HG2 VAL 4 8.068 -6.979 -6.039 37 2HG2 VAL 4 2HG2 VAL 4 6.662 -7.958 -5.623 38 3HG2 VAL 4 3HG2 VAL 4 7.307 -7.994 -7.265 39 H TYR 5 H TYR 5 6.286 -2.756 -4.910 40 HA TYR 5 HA TYR 5 3.539 -2.016 -5.263 41 1HB TYR 5 1HB TYR 5 6.020 -0.283 -5.191 42 2HB TYR 5 2HB TYR 5 4.388 0.222 -4.802 43 HD1 TYR 5 HD1 TYR 5 7.190 -2.041 -3.656 44 HD2 TYR 5 HD2 TYR 5 3.492 -0.046 -2.647 45 HE1 TYR 5 HE1 TYR 5 7.565 -2.555 -1.342 46 HE2 TYR 5 HE2 TYR 5 3.899 -0.580 -0.274 47 HH TYR 5 HH TYR 5 6.696 -2.570 0.708 48 H VAL 6 H VAL 6 2.731 -0.543 -6.894 49 HA VAL 6 HA VAL 6 4.356 -0.558 -9.404 50 HB VAL 6 HB VAL 6 1.373 -0.794 -8.957 51 1HG1 VAL 6 1HG1 VAL 6 3.015 -0.857 -11.486 52 2HG1 VAL 6 2HG1 VAL 6 1.284 -1.173 -11.385 53 3HG1 VAL 6 3HG1 VAL 6 1.913 0.428 -10.999 54 1HG2 VAL 6 1HG2 VAL 6 3.509 -2.753 -9.809 55 2HG2 VAL 6 2HG2 VAL 6 2.500 -2.851 -8.358 56 3HG2 VAL 6 3HG2 VAL 6 1.781 -3.067 -9.962 57 H SER 7 H SER 7 3.594 1.302 -10.888 58 HA SER 7 HA SER 7 3.252 3.743 -9.215 59 1HB SER 7 1HB SER 7 4.452 4.829 -10.921 60 2HB SER 7 2HB SER 7 5.157 3.216 -10.938 61 HG SER 7 HG SER 7 4.147 4.390 -12.958 62 H HIS 8 H HIS 8 2.399 5.302 -11.498 63 HA HIS 8 HA HIS 8 -0.461 4.481 -11.572 64 1HB HIS 8 1HB HIS 8 0.277 6.949 -12.972 65 2HB HIS 8 2HB HIS 8 -0.855 6.727 -11.653 66 HD1 HIS 8 HD1 HIS 8 1.043 5.762 -9.445 67 HD2 HIS 8 HD2 HIS 8 1.961 8.927 -11.988 68 HE1 HIS 8 HE1 HIS 8 2.748 7.188 -8.228 69 H ASP 9 H ASP 9 2.412 4.868 -13.483 70 HA ASP 9 HA ASP 9 1.023 4.251 -16.018 71 1HB ASP 9 1HB ASP 9 3.135 4.825 -17.010 72 2HB ASP 9 2HB ASP 9 2.894 5.970 -15.689 73 H GLY 10 H GLY 10 2.446 2.611 -13.420 74 1HA GLY 10 1HA GLY 10 2.182 0.130 -13.432 75 2HA GLY 10 2HA GLY 10 2.770 0.154 -15.094 76 H THR 11 H THR 11 4.728 2.374 -13.645 77 HA THR 11 HA THR 11 6.968 0.621 -13.593 78 HB THR 11 HB THR 11 6.383 3.411 -13.275 79 HG1 THR 11 HG1 THR 11 8.450 3.549 -14.084 80 1HG2 THR 11 1HG2 THR 11 8.113 2.132 -11.177 81 2HG2 THR 11 2HG2 THR 11 8.501 3.754 -11.758 82 3HG2 THR 11 3HG2 THR 11 6.946 3.448 -10.983 83 H ARG 12 H ARG 12 7.632 -0.670 -11.984 84 HA ARG 12 HA ARG 12 6.259 -0.461 -9.331 85 1HB ARG 12 1HB ARG 12 7.350 -3.009 -10.509 86 2HB ARG 12 2HB ARG 12 6.052 -2.808 -9.334 87 1HG ARG 12 1HG ARG 12 4.731 -3.153 -11.168 88 2HG ARG 12 2HG ARG 12 5.001 -1.426 -11.409 89 1HD ARG 12 1HD ARG 12 6.589 -1.776 -13.101 90 2HD ARG 12 2HD ARG 12 6.955 -3.422 -12.547 91 HE ARG 12 HE ARG 12 4.169 -3.093 -13.344 92 1HH1 ARG 12 1HH1 ARG 12 6.598 -2.432 -15.378 93 2HH1 ARG 12 2HH1 ARG 12 6.478 -3.855 -16.358 94 1HH2 ARG 12 1HH2 ARG 12 4.344 -5.500 -14.175 95 2HH2 ARG 12 2HH2 ARG 12 5.203 -5.592 -15.677 96 H ARG 13 H ARG 13 7.470 -1.802 -7.629 97 HA ARG 13 HA ARG 13 10.431 -1.507 -7.757 98 1HB ARG 13 1HB ARG 13 9.540 -1.166 -5.082 99 2HB ARG 13 2HB ARG 13 10.274 0.067 -6.100 100 1HG ARG 13 1HG ARG 13 7.345 -0.481 -6.392 101 2HG ARG 13 2HG ARG 13 7.894 0.427 -4.988 102 1HD ARG 13 1HD ARG 13 8.828 1.184 -7.764 103 2HD ARG 13 2HD ARG 13 7.289 1.790 -7.119 104 HE ARG 13 HE ARG 13 9.559 2.057 -5.276 105 1HH1 ARG 13 1HH1 ARG 13 8.878 3.449 -8.237 106 2HH1 ARG 13 2HH1 ARG 13 8.758 5.074 -7.653 107 1HH2 ARG 13 1HH2 ARG 13 8.882 4.163 -4.309 108 2HH2 ARG 13 2HH2 ARG 13 8.760 5.479 -5.429 109 H GLU 14 H GLU 14 11.177 -2.930 -5.627 110 HA GLU 14 HA GLU 14 9.197 -5.070 -5.161 111 1HB GLU 14 1HB GLU 14 11.811 -5.377 -6.671 112 2HB GLU 14 2HB GLU 14 11.036 -6.758 -5.894 113 1HG GLU 14 1HG GLU 14 10.009 -6.908 -7.945 114 2HG GLU 14 2HG GLU 14 8.899 -5.767 -7.186 115 H LEU 15 H LEU 15 9.303 -5.111 -2.941 116 HA LEU 15 HA LEU 15 11.922 -4.885 -1.534 117 1HB LEU 15 1HB LEU 15 9.070 -4.898 -0.509 118 2HB LEU 15 2HB LEU 15 10.488 -4.377 0.378 119 HG LEU 15 HG LEU 15 9.052 -3.072 -1.861 120 1HD1 LEU 15 1HD1 LEU 15 9.034 -2.752 0.845 121 2HD1 LEU 15 2HD1 LEU 15 10.276 -1.587 0.380 122 3HD1 LEU 15 3HD1 LEU 15 8.646 -1.459 -0.290 123 1HD2 LEU 15 1HD2 LEU 15 11.949 -3.058 -1.360 124 2HD2 LEU 15 2HD2 LEU 15 11.051 -2.599 -2.805 125 3HD2 LEU 15 3HD2 LEU 15 11.217 -1.459 -1.467 126 H ASP 16 H ASP 16 11.007 -6.081 0.784 127 HA ASP 16 HA ASP 16 10.182 -8.853 0.267 128 1HB ASP 16 1HB ASP 16 12.891 -8.139 0.256 129 2HB ASP 16 2HB ASP 16 12.622 -8.701 1.907 130 H VAL 17 H VAL 17 8.482 -7.485 1.499 131 HA VAL 17 HA VAL 17 9.176 -6.848 4.326 132 HB VAL 17 HB VAL 17 6.418 -6.617 3.146 133 1HG1 VAL 17 1HG1 VAL 17 8.015 -5.545 5.245 134 2HG1 VAL 17 2HG1 VAL 17 7.426 -4.242 4.211 135 3HG1 VAL 17 3HG1 VAL 17 6.284 -5.359 4.963 136 1HG2 VAL 17 1HG2 VAL 17 8.812 -4.937 2.327 137 2HG2 VAL 17 2HG2 VAL 17 7.842 -5.907 1.248 138 3HG2 VAL 17 3HG2 VAL 17 7.141 -4.490 2.013 139 H ALA 18 H ALA 18 8.839 -8.191 5.935 140 HA ALA 18 HA ALA 18 7.655 -10.846 5.468 141 1HB ALA 18 1HB ALA 18 9.800 -10.241 6.717 142 2HB ALA 18 2HB ALA 18 8.748 -9.647 8.009 143 3HB ALA 18 3HB ALA 18 8.705 -11.352 7.548 144 H ASP 19 H ASP 19 6.499 -11.707 7.511 145 HA ASP 19 HA ASP 19 3.910 -10.488 7.774 146 1HB ASP 19 1HB ASP 19 4.482 -12.136 10.046 147 2HB ASP 19 2HB ASP 19 3.481 -12.534 8.655 148 H GLY 20 H GLY 20 3.520 -8.680 8.848 149 1HA GLY 20 1HA GLY 20 3.445 -7.609 11.091 150 2HA GLY 20 2HA GLY 20 5.108 -8.141 11.317 151 H VAL 21 H VAL 21 5.666 -7.289 8.342 152 HA VAL 21 HA VAL 21 6.243 -4.500 9.139 153 HB VAL 21 HB VAL 21 6.854 -5.998 6.593 154 1HG1 VAL 21 1HG1 VAL 21 7.661 -3.332 7.702 155 2HG1 VAL 21 2HG1 VAL 21 8.559 -4.136 6.412 156 3HG1 VAL 21 3HG1 VAL 21 6.872 -3.695 6.164 157 1HG2 VAL 21 1HG2 VAL 21 7.952 -6.817 8.781 158 2HG2 VAL 21 2HG2 VAL 21 8.999 -6.449 7.396 159 3HG2 VAL 21 3HG2 VAL 21 8.824 -5.283 8.725 160 H SER 22 H SER 22 5.504 -2.761 7.925 161 HA SER 22 HA SER 22 3.031 -3.313 6.331 162 1HB SER 22 1HB SER 22 3.096 -0.641 6.543 163 2HB SER 22 2HB SER 22 2.548 -1.634 7.891 164 HG SER 22 HG SER 22 4.357 -1.228 8.942 165 H LEU 23 H LEU 23 3.145 -3.080 4.082 166 HA LEU 23 HA LEU 23 5.524 -2.947 2.642 167 1HB LEU 23 1HB LEU 23 2.716 -1.978 2.196 168 2HB LEU 23 2HB LEU 23 3.920 -1.813 0.943 169 HG LEU 23 HG LEU 23 2.833 -4.345 2.121 170 1HD1 LEU 23 1HD1 LEU 23 3.208 -3.279 -0.662 171 2HD1 LEU 23 2HD1 LEU 23 2.607 -4.895 -0.286 172 3HD1 LEU 23 3HD1 LEU 23 1.684 -3.473 0.203 173 1HD2 LEU 23 1HD2 LEU 23 5.437 -3.927 0.691 174 2HD2 LEU 23 2HD2 LEU 23 5.152 -4.762 2.221 175 3HD2 LEU 23 3HD2 LEU 23 4.603 -5.477 0.703 176 H MET 24 H MET 24 3.683 -0.430 4.156 177 HA MET 24 HA MET 24 5.004 1.778 2.883 178 1HB MET 24 1HB MET 24 2.861 2.131 3.658 179 2HB MET 24 2HB MET 24 3.137 1.215 5.127 180 1HG MET 24 1HG MET 24 4.602 3.808 4.619 181 2HG MET 24 2HG MET 24 2.970 3.824 5.279 182 1HE MET 24 1HE MET 24 6.094 4.434 5.845 183 2HE MET 24 2HE MET 24 5.257 5.143 7.236 184 3HE MET 24 3HE MET 24 6.567 3.990 7.486 185 H GLN 25 H GLN 25 5.927 -0.391 5.281 186 HA GLN 25 HA GLN 25 7.829 1.477 6.582 187 1HB GLN 25 1HB GLN 25 6.878 0.007 8.143 188 2HB GLN 25 2HB GLN 25 6.757 -1.301 6.968 189 1HG GLN 25 1HG GLN 25 8.984 -1.935 7.241 190 2HG GLN 25 2HG GLN 25 9.474 -0.334 7.800 191 1HE2 GLN 25 2HE2 GLN 25 6.568 -1.800 9.136 192 2HE2 GLN 25 1HE2 GLN 25 7.219 -2.144 10.666 193 H ALA 26 H ALA 26 7.974 -1.785 5.024 194 HA ALA 26 HA ALA 26 10.749 -1.769 4.452 195 1HB ALA 26 1HB ALA 26 8.372 -2.928 2.968 196 2HB ALA 26 2HB ALA 26 10.046 -3.398 2.670 197 3HB ALA 26 3HB ALA 26 9.306 -3.718 4.240 198 H ALA 27 H ALA 27 8.107 -0.791 2.162 199 HA ALA 27 HA ALA 27 9.633 0.104 -0.002 200 1HB ALA 27 1HB ALA 27 7.107 1.112 1.309 201 2HB ALA 27 2HB ALA 27 7.704 1.809 -0.195 202 3HB ALA 27 3HB ALA 27 7.259 0.105 -0.129 203 H VAL 28 H VAL 28 8.673 2.070 2.814 204 HA VAL 28 HA VAL 28 10.199 4.390 2.057 205 HB VAL 28 HB VAL 28 8.399 3.448 4.077 206 1HG1 VAL 28 1HG1 VAL 28 10.883 4.795 5.199 207 2HG1 VAL 28 2HG1 VAL 28 9.373 4.563 6.081 208 3HG1 VAL 28 3HG1 VAL 28 10.321 3.165 5.574 209 1HG2 VAL 28 1HG2 VAL 28 9.175 5.876 2.743 210 2HG2 VAL 28 2HG2 VAL 28 7.653 5.496 3.549 211 3HG2 VAL 28 3HG2 VAL 28 8.985 6.198 4.466 212 H SER 29 H SER 29 11.218 1.326 2.998 213 HA SER 29 HA SER 29 13.717 2.249 4.325 214 1HB SER 29 1HB SER 29 13.205 0.404 5.524 215 2HB SER 29 2HB SER 29 11.857 0.115 4.434 216 HG SER 29 HG SER 29 14.068 -1.293 4.671 217 H ASN 30 H ASN 30 12.434 0.833 1.405 218 HA ASN 30 HA ASN 30 15.093 0.071 0.374 219 1HB ASN 30 1HB ASN 30 12.205 -0.178 -0.534 220 2HB ASN 30 2HB ASN 30 13.559 -0.807 -1.450 221 1HD2 ASN 30 2HD2 ASN 30 12.235 -0.957 1.878 222 2HD2 ASN 30 1HD2 ASN 30 12.623 -2.591 2.127 223 H GLY 31 H GLY 31 13.375 2.808 0.778 224 1HA GLY 31 1HA GLY 31 13.798 4.936 -0.230 225 2HA GLY 31 2HA GLY 31 14.660 4.126 -1.539 226 H ILE 32 H ILE 32 11.687 2.656 -0.910 227 HA ILE 32 HA ILE 32 10.584 3.445 -3.466 228 HB ILE 32 HB ILE 32 9.660 1.880 -1.059 229 1HG1 ILE 32 1HG1 ILE 32 10.566 1.204 -3.865 230 2HG1 ILE 32 2HG1 ILE 32 11.373 0.799 -2.348 231 1HG2 ILE 32 1HG2 ILE 32 7.808 3.074 -2.563 232 2HG2 ILE 32 2HG2 ILE 32 8.172 1.731 -3.649 233 3HG2 ILE 32 3HG2 ILE 32 7.606 1.409 -2.009 234 1HD1 ILE 32 1HD1 ILE 32 8.618 -0.176 -3.121 235 2HD1 ILE 32 2HD1 ILE 32 10.097 -1.113 -3.322 236 3HD1 ILE 32 3HD1 ILE 32 9.555 -0.659 -1.709 237 H TYR 33 H TYR 33 9.431 3.893 -0.167 238 HA TYR 33 HA TYR 33 7.577 6.023 -0.931 239 1HB TYR 33 1HB TYR 33 8.405 4.559 1.558 240 2HB TYR 33 2HB TYR 33 7.431 6.024 1.688 241 HD1 TYR 33 HD1 TYR 33 6.871 4.470 -1.458 242 HD2 TYR 33 HD2 TYR 33 5.816 4.195 2.698 243 HE1 TYR 33 HE1 TYR 33 4.859 3.207 -2.062 244 HE2 TYR 33 HE2 TYR 33 3.806 2.908 2.092 245 HH TYR 33 HH TYR 33 2.575 2.761 -1.030 246 H ASP 34 H ASP 34 10.071 6.844 -1.711 247 HA ASP 34 HA ASP 34 11.771 8.206 0.036 248 1HB ASP 34 1HB ASP 34 12.374 9.490 -1.908 249 2HB ASP 34 2HB ASP 34 11.871 7.905 -2.496 250 H ILE 35 H ILE 35 8.465 8.972 -0.767 251 HA ILE 35 HA ILE 35 8.508 11.775 -0.052 252 HB ILE 35 HB ILE 35 6.232 9.769 0.056 253 1HG1 ILE 35 1HG1 ILE 35 7.264 9.512 -2.097 254 2HG1 ILE 35 2HG1 ILE 35 5.865 10.558 -2.340 255 1HG2 ILE 35 1HG2 ILE 35 6.478 12.736 0.079 256 2HG2 ILE 35 2HG2 ILE 35 5.172 12.058 -0.894 257 3HG2 ILE 35 3HG2 ILE 35 5.263 11.701 0.831 258 1HD1 ILE 35 1HD1 ILE 35 7.537 12.510 -1.935 259 2HD1 ILE 35 2HD1 ILE 35 8.783 11.306 -2.265 260 3HD1 ILE 35 3HD1 ILE 35 7.577 11.687 -3.495 261 H VAL 36 H VAL 36 6.974 12.443 1.902 262 HA VAL 36 HA VAL 36 7.859 10.871 4.302 263 HB VAL 36 HB VAL 36 7.875 13.047 5.438 264 1HG1 VAL 36 1HG1 VAL 36 9.825 12.282 3.978 265 2HG1 VAL 36 2HG1 VAL 36 9.215 13.386 2.746 266 3HG1 VAL 36 3HG1 VAL 36 9.748 14.012 4.306 267 1HG2 VAL 36 1HG2 VAL 36 6.256 13.766 3.123 268 2HG2 VAL 36 2HG2 VAL 36 6.426 14.601 4.667 269 3HG2 VAL 36 3HG2 VAL 36 7.579 14.907 3.368 270 H GLY 37 H GLY 37 5.811 9.589 4.000 271 1HA GLY 37 1HA GLY 37 3.429 11.114 4.983 272 2HA GLY 37 2HA GLY 37 3.297 9.756 3.867 273 H ASP 38 H ASP 38 5.049 10.280 6.953 274 HA ASP 38 HA ASP 38 3.838 7.704 7.909 275 1HB ASP 38 1HB ASP 38 6.019 7.647 9.274 276 2HB ASP 38 2HB ASP 38 6.175 7.405 7.533 277 H CYS 39 H CYS 39 2.059 9.002 8.871 278 HA CYS 39 HA CYS 39 2.758 10.945 10.974 279 1HB CYS 39 1HB CYS 39 0.361 11.274 11.062 280 2HB CYS 39 2HB CYS 39 0.814 11.128 9.364 281 H GLY 40 H GLY 40 3.319 7.878 11.093 282 1HA GLY 40 1HA GLY 40 3.529 6.417 12.937 283 2HA GLY 40 2HA GLY 40 2.681 7.607 13.925 284 H GLY 41 H GLY 41 1.448 6.279 10.893 285 1HA GLY 41 1HA GLY 41 -0.584 5.176 10.471 286 2HA GLY 41 2HA GLY 41 -0.121 4.158 11.835 287 H SER 42 H SER 42 -0.506 7.554 12.410 288 HA SER 42 HA SER 42 -2.681 7.035 14.302 289 1HB SER 42 1HB SER 42 -0.906 8.614 14.815 290 2HB SER 42 2HB SER 42 -1.226 9.516 13.337 291 HG SER 42 HG SER 42 -2.245 10.545 15.040 292 H ALA 43 H ALA 43 -2.666 7.365 11.007 293 HA ALA 43 HA ALA 43 -4.377 7.849 9.450 294 1HB ALA 43 1HB ALA 43 -5.518 6.913 11.871 295 2HB ALA 43 2HB ALA 43 -6.518 8.266 11.340 296 3HB ALA 43 3HB ALA 43 -6.252 6.892 10.268 297 H SER 44 H SER 44 -2.903 10.029 9.788 298 HA SER 44 HA SER 44 -4.899 12.238 10.057 299 1HB SER 44 1HB SER 44 -2.965 13.475 11.237 300 2HB SER 44 2HB SER 44 -3.792 12.225 12.159 301 HG SER 44 HG SER 44 -1.238 12.254 11.033 302 H CYS 45 H CYS 45 -3.116 10.737 7.903 303 HA CYS 45 HA CYS 45 -2.277 13.268 6.548 304 1HB CYS 45 1HB CYS 45 -0.128 12.393 6.113 305 2HB CYS 45 2HB CYS 45 -0.443 11.875 7.766 306 H ALA 46 H ALA 46 -1.406 12.262 4.170 307 HA ALA 46 HA ALA 46 -3.455 10.338 3.181 308 1HB ALA 46 1HB ALA 46 -4.202 12.798 3.094 309 2HB ALA 46 2HB ALA 46 -2.959 13.013 1.861 310 3HB ALA 46 3HB ALA 46 -4.295 11.895 1.581 311 H THR 47 H THR 47 -0.314 10.949 3.428 312 HA THR 47 HA THR 47 0.549 10.667 0.633 313 HB THR 47 HB THR 47 2.748 10.220 2.149 314 HG1 THR 47 HG1 THR 47 1.352 11.959 3.809 315 1HG2 THR 47 1HG2 THR 47 2.232 12.126 0.568 316 2HG2 THR 47 2HG2 THR 47 1.463 12.950 1.925 317 3HG2 THR 47 3HG2 THR 47 3.186 12.579 1.981 318 H CYS 48 H CYS 48 -0.999 8.565 2.498 319 HA CYS 48 HA CYS 48 0.763 6.207 1.904 320 1HB CYS 48 1HB CYS 48 -1.584 5.544 3.413 321 2HB CYS 48 2HB CYS 48 0.078 5.452 3.917 322 H HIS 49 H HIS 49 -1.372 7.833 0.235 323 HA HIS 49 HA HIS 49 -3.496 5.957 -0.299 324 1HB HIS 49 1HB HIS 49 -3.588 8.391 -0.713 325 2HB HIS 49 2HB HIS 49 -2.299 8.239 -1.905 326 HD1 HIS 49 HD1 HIS 49 -5.268 5.924 -1.520 327 HD2 HIS 49 HD2 HIS 49 -3.733 8.648 -4.237 328 HE1 HIS 49 HE1 HIS 49 -6.584 5.606 -3.657 329 H VAL 50 H VAL 50 -3.399 4.115 -1.378 330 HA VAL 50 HA VAL 50 -1.799 3.844 -3.814 331 HB VAL 50 HB VAL 50 -0.103 2.567 -2.996 332 1HG1 VAL 50 1HG1 VAL 50 -1.216 3.451 -0.323 333 2HG1 VAL 50 2HG1 VAL 50 0.407 2.820 -0.588 334 3HG1 VAL 50 3HG1 VAL 50 -0.073 4.352 -1.316 335 1HG2 VAL 50 1HG2 VAL 50 -2.316 1.218 -1.451 336 2HG2 VAL 50 2HG2 VAL 50 -1.309 0.556 -2.757 337 3HG2 VAL 50 3HG2 VAL 50 -0.614 0.811 -1.146 338 H TYR 51 H TYR 51 -1.998 1.282 -4.370 339 HA TYR 51 HA TYR 51 -4.741 0.373 -3.694 340 1HB TYR 51 1HB TYR 51 -3.425 1.007 -6.294 341 2HB TYR 51 2HB TYR 51 -4.836 -0.026 -6.208 342 HD1 TYR 51 HD1 TYR 51 -3.550 3.386 -5.511 343 HD2 TYR 51 HD2 TYR 51 -7.024 0.857 -5.617 344 HE1 TYR 51 HE1 TYR 51 -4.986 5.356 -5.396 345 HE2 TYR 51 HE2 TYR 51 -8.425 2.851 -5.461 346 HH TYR 51 HH TYR 51 -7.342 5.958 -6.060 347 H VAL 52 H VAL 52 -4.039 -1.492 -2.651 348 HA VAL 52 HA VAL 52 -1.852 -3.122 -3.559 349 HB VAL 52 HB VAL 52 -4.129 -3.993 -1.777 350 1HG1 VAL 52 1HG1 VAL 52 -2.039 -5.395 -2.416 351 2HG1 VAL 52 2HG1 VAL 52 -1.210 -4.364 -1.250 352 3HG1 VAL 52 3HG1 VAL 52 -2.576 -5.358 -0.735 353 1HG2 VAL 52 1HG2 VAL 52 -2.046 -1.899 -1.208 354 2HG2 VAL 52 2HG2 VAL 52 -3.783 -1.857 -0.912 355 3HG2 VAL 52 3HG2 VAL 52 -2.748 -2.864 0.093 356 H ASN 53 H ASN 53 -1.914 -4.834 -5.000 357 HA ASN 53 HA ASN 53 -4.008 -5.273 -6.806 358 1HB ASN 53 1HB ASN 53 -1.949 -6.220 -7.309 359 2HB ASN 53 2HB ASN 53 -1.748 -6.907 -5.699 360 1HD2 ASN 53 2HD2 ASN 53 -1.328 -9.038 -6.689 361 2HD2 ASN 53 1HD2 ASN 53 -2.605 -9.960 -7.326 362 H GLU 54 H GLU 54 -5.759 -6.794 -6.854 363 HA GLU 54 HA GLU 54 -7.252 -7.119 -4.470 364 1HB GLU 54 1HB GLU 54 -8.547 -8.729 -5.965 365 2HB GLU 54 2HB GLU 54 -8.289 -7.115 -6.626 366 1HG GLU 54 1HG GLU 54 -6.839 -7.856 -8.237 367 2HG GLU 54 2HG GLU 54 -6.177 -9.124 -7.204 368 H ALA 55 H ALA 55 -4.499 -8.920 -5.420 369 HA ALA 55 HA ALA 55 -5.442 -11.359 -3.994 370 1HB ALA 55 1HB ALA 55 -3.841 -10.841 -6.247 371 2HB ALA 55 2HB ALA 55 -2.706 -11.394 -5.013 372 3HB ALA 55 3HB ALA 55 -4.077 -12.407 -5.473 373 H PHE 56 H PHE 56 -4.262 -8.542 -2.980 374 HA PHE 56 HA PHE 56 -2.769 -9.839 -0.744 375 1HB PHE 56 1HB PHE 56 -1.888 -7.510 -2.465 376 2HB PHE 56 2HB PHE 56 -1.094 -7.968 -0.951 377 HD1 PHE 56 HD1 PHE 56 -1.956 -9.085 -4.363 378 HD2 PHE 56 HD2 PHE 56 0.303 -9.924 -0.805 379 HE1 PHE 56 HE1 PHE 56 -0.746 -10.882 -5.560 380 HE2 PHE 56 HE2 PHE 56 1.444 -11.770 -1.957 381 HZ PHE 56 HZ PHE 56 0.952 -12.225 -4.373 382 H THR 57 H THR 57 -5.288 -7.953 -1.654 383 HA THR 57 HA THR 57 -5.071 -5.998 0.573 384 HB THR 57 HB THR 57 -6.974 -4.992 -0.466 385 HG1 THR 57 HG1 THR 57 -7.944 -6.459 -2.246 386 1HG2 THR 57 1HG2 THR 57 -4.773 -5.781 -2.058 387 2HG2 THR 57 2HG2 THR 57 -6.212 -5.981 -3.060 388 3HG2 THR 57 3HG2 THR 57 -5.857 -4.416 -2.325 389 H ASP 58 H ASP 58 -6.952 -8.812 -0.485 390 HA ASP 58 HA ASP 58 -8.455 -8.894 2.049 391 1HB ASP 58 1HB ASP 58 -10.027 -9.572 0.553 392 2HB ASP 58 2HB ASP 58 -8.810 -9.588 -0.722 393 H LYS 59 H LYS 59 -5.557 -9.976 1.016 394 HA LYS 59 HA LYS 59 -5.615 -12.632 2.367 395 1HB LYS 59 1HB LYS 59 -3.307 -11.225 1.086 396 2HB LYS 59 2HB LYS 59 -3.641 -12.961 1.145 397 1HG LYS 59 1HG LYS 59 -5.849 -11.889 -0.200 398 2HG LYS 59 2HG LYS 59 -4.478 -10.990 -0.856 399 1HD LYS 59 1HD LYS 59 -4.836 -13.024 -2.174 400 2HD LYS 59 2HD LYS 59 -3.323 -13.173 -1.278 401 1HE LYS 59 1HE LYS 59 -4.194 -15.187 -0.610 402 2HE LYS 59 2HE LYS 59 -5.146 -14.202 0.519 403 1HZ LYS 59 1HZ LYS 59 -5.977 -14.717 -2.282 404 2HZ LYS 59 2HZ LYS 59 -6.486 -15.681 -0.979 405 3HZ LYS 59 3HZ LYS 59 -6.906 -14.039 -1.032 406 H VAL 60 H VAL 60 -3.914 -9.617 2.203 407 HA VAL 60 HA VAL 60 -2.387 -9.910 4.637 408 HB VAL 60 HB VAL 60 -2.673 -8.360 2.255 409 1HG1 VAL 60 1HG1 VAL 60 -3.298 -6.750 4.515 410 2HG1 VAL 60 2HG1 VAL 60 -1.731 -6.274 3.877 411 3HG1 VAL 60 3HG1 VAL 60 -3.154 -6.280 2.824 412 1HG2 VAL 60 1HG2 VAL 60 -0.646 -9.123 4.152 413 2HG2 VAL 60 2HG2 VAL 60 -0.632 -9.097 2.385 414 3HG2 VAL 60 3HG2 VAL 60 -0.317 -7.613 3.298 415 HA PRO 61 HA PRO 61 -5.401 -8.375 7.392 416 1HB PRO 61 1HB PRO 61 -4.372 -6.203 8.720 417 2HB PRO 61 2HB PRO 61 -3.894 -7.882 9.033 418 1HG PRO 61 1HG PRO 61 -2.480 -5.762 7.548 419 2HG PRO 61 2HG PRO 61 -1.843 -7.124 8.481 420 1HD PRO 61 1HD PRO 61 -1.977 -6.991 5.724 421 2HD PRO 61 2HD PRO 61 -1.782 -8.477 6.636 422 H ALA 62 H ALA 62 -7.147 -7.667 6.587 423 HA ALA 62 HA ALA 62 -7.489 -5.435 4.824 424 1HB ALA 62 1HB ALA 62 -8.839 -7.769 5.760 425 2HB ALA 62 2HB ALA 62 -9.927 -6.391 5.945 426 3HB ALA 62 3HB ALA 62 -9.242 -6.769 4.364 427 H ALA 63 H ALA 63 -6.443 -4.057 6.617 428 HA ALA 63 HA ALA 63 -7.426 -3.205 9.020 429 1HB ALA 63 1HB ALA 63 -5.634 -2.233 7.353 430 2HB ALA 63 2HB ALA 63 -6.942 -1.150 6.877 431 3HB ALA 63 3HB ALA 63 -6.372 -1.163 8.546 432 H ASN 64 H ASN 64 -9.064 -1.627 9.699 433 HA ASN 64 HA ASN 64 -11.522 -1.850 8.077 434 1HB ASN 64 1HB ASN 64 -12.520 -0.932 10.207 435 2HB ASN 64 2HB ASN 64 -11.610 -2.420 10.410 436 1HD2 ASN 64 2HD2 ASN 64 -11.446 1.112 10.984 437 2HD2 ASN 64 1HD2 ASN 64 -10.155 1.026 12.080 438 H GLU 65 H GLU 65 -12.879 0.358 8.965 439 HA GLU 65 HA GLU 65 -12.713 2.304 7.088 440 1HB GLU 65 1HB GLU 65 -13.792 3.763 8.740 441 2HB GLU 65 2HB GLU 65 -14.371 2.107 8.924 442 1HG GLU 65 1HG GLU 65 -13.199 1.770 10.904 443 2HG GLU 65 2HG GLU 65 -11.991 2.996 10.517 444 H ARG 66 H ARG 66 -10.382 1.944 9.719 445 HA ARG 66 HA ARG 66 -9.280 4.538 9.815 446 1HB ARG 66 1HB ARG 66 -8.584 1.828 10.508 447 2HB ARG 66 2HB ARG 66 -7.172 2.612 9.797 448 1HG ARG 66 1HG ARG 66 -7.519 4.540 11.357 449 2HG ARG 66 2HG ARG 66 -8.821 3.632 12.127 450 1HD ARG 66 1HD ARG 66 -6.069 2.420 11.830 451 2HD ARG 66 2HD ARG 66 -6.469 3.463 13.210 452 HE ARG 66 HE ARG 66 -8.113 1.055 12.518 453 1HH1 ARG 66 1HH1 ARG 66 -7.767 3.546 14.713 454 2HH1 ARG 66 2HH1 ARG 66 -7.745 2.545 16.127 455 1HH2 ARG 66 1HH2 ARG 66 -7.543 -0.423 14.346 456 2HH2 ARG 66 2HH2 ARG 66 -7.618 0.298 15.919 457 H GLU 67 H GLU 67 -7.773 1.906 7.947 458 HA GLU 67 HA GLU 67 -6.510 3.684 6.071 459 1HB GLU 67 1HB GLU 67 -5.426 1.657 6.338 460 2HB GLU 67 2HB GLU 67 -6.933 0.760 6.509 461 1HG GLU 67 1HG GLU 67 -6.495 2.027 3.872 462 2HG GLU 67 2HG GLU 67 -5.400 0.705 4.274 463 H ILE 68 H ILE 68 -9.444 1.674 5.985 464 HA ILE 68 HA ILE 68 -10.149 2.106 3.268 465 HB ILE 68 HB ILE 68 -11.495 1.390 5.838 466 1HG1 ILE 68 1HG1 ILE 68 -12.310 -0.423 4.103 467 2HG1 ILE 68 2HG1 ILE 68 -10.988 0.225 3.120 468 1HG2 ILE 68 1HG2 ILE 68 -12.912 2.461 3.406 469 2HG2 ILE 68 2HG2 ILE 68 -13.660 1.183 4.365 470 3HG2 ILE 68 3HG2 ILE 68 -13.274 2.735 5.111 471 1HD1 ILE 68 1HD1 ILE 68 -10.007 -0.100 5.779 472 2HD1 ILE 68 2HD1 ILE 68 -10.833 -1.594 5.333 473 3HD1 ILE 68 3HD1 ILE 68 -9.520 -0.978 4.329 474 H GLY 69 H GLY 69 -10.051 4.278 5.943 475 1HA GLY 69 1HA GLY 69 -11.884 6.181 4.598 476 2HA GLY 69 2HA GLY 69 -11.255 6.371 6.228 477 H MET 70 H MET 70 -8.711 6.566 6.259 478 HA MET 70 HA MET 70 -7.839 8.910 5.027 479 1HB MET 70 1HB MET 70 -5.619 7.077 4.927 480 2HB MET 70 2HB MET 70 -5.909 8.362 6.088 481 1HG MET 70 1HG MET 70 -7.354 6.764 7.390 482 2HG MET 70 2HG MET 70 -6.857 5.491 6.276 483 1HE MET 70 1HE MET 70 -4.796 4.340 6.189 484 2HE MET 70 2HE MET 70 -3.766 4.157 7.619 485 3HE MET 70 3HE MET 70 -5.504 3.821 7.720 486 H LEU 71 H LEU 71 -7.851 5.654 3.715 487 HA LEU 71 HA LEU 71 -6.609 6.156 1.152 488 1HB LEU 71 1HB LEU 71 -6.985 3.984 2.361 489 2HB LEU 71 2HB LEU 71 -8.709 4.192 2.111 490 HG LEU 71 HG LEU 71 -6.746 3.091 0.315 491 1HD1 LEU 71 1HD1 LEU 71 -9.354 2.687 1.178 492 2HD1 LEU 71 2HD1 LEU 71 -9.531 3.147 -0.516 493 3HD1 LEU 71 3HD1 LEU 71 -8.523 1.771 -0.079 494 1HD2 LEU 71 1HD2 LEU 71 -6.916 5.456 -0.644 495 2HD2 LEU 71 2HD2 LEU 71 -7.365 4.162 -1.767 496 3HD2 LEU 71 3HD2 LEU 71 -8.613 5.104 -0.943 497 H GLU 72 H GLU 72 -10.045 5.933 2.167 498 HA GLU 72 HA GLU 72 -11.032 6.765 -0.412 499 1HB GLU 72 1HB GLU 72 -12.803 5.871 0.746 500 2HB GLU 72 2HB GLU 72 -11.963 6.058 2.276 501 1HG GLU 72 1HG GLU 72 -13.417 8.325 0.893 502 2HG GLU 72 2HG GLU 72 -14.149 7.297 2.123 503 H CYS 73 H CYS 73 -9.892 8.349 2.493 504 HA CYS 73 HA CYS 73 -10.819 11.016 2.034 505 1HB CYS 73 1HB CYS 73 -9.077 9.550 3.779 506 2HB CYS 73 2HB CYS 73 -8.196 10.962 3.196 507 HG CYS 73 HG CYS 73 -10.629 12.212 3.951 508 H VAL 74 H VAL 74 -7.989 9.176 0.917 509 HA VAL 74 HA VAL 74 -6.602 11.247 -0.406 510 HB VAL 74 HB VAL 74 -5.481 9.559 -1.563 511 1HG1 VAL 74 1HG1 VAL 74 -5.560 9.142 0.939 512 2HG1 VAL 74 2HG1 VAL 74 -6.775 7.914 0.597 513 3HG1 VAL 74 3HG1 VAL 74 -5.159 7.751 -0.063 514 1HG2 VAL 74 1HG2 VAL 74 -8.183 8.525 -1.897 515 2HG2 VAL 74 2HG2 VAL 74 -6.784 8.388 -2.957 516 3HG2 VAL 74 3HG2 VAL 74 -6.989 7.258 -1.605 517 H THR 75 H THR 75 -6.751 11.567 -2.926 518 HA THR 75 HA THR 75 -9.642 11.476 -3.687 519 HB THR 75 HB THR 75 -7.414 13.483 -4.103 520 HG1 THR 75 HG1 THR 75 -8.470 14.559 -2.644 521 1HG2 THR 75 1HG2 THR 75 -9.918 13.048 -5.631 522 2HG2 THR 75 2HG2 THR 75 -9.534 14.715 -5.196 523 3HG2 THR 75 3HG2 THR 75 -8.388 13.764 -6.143 524 H ALA 76 H ALA 76 -8.203 9.116 -4.449 525 HA ALA 76 HA ALA 76 -7.597 9.956 -7.306 526 1HB ALA 76 1HB ALA 76 -5.820 9.025 -5.431 527 2HB ALA 76 2HB ALA 76 -6.217 7.567 -6.344 528 3HB ALA 76 3HB ALA 76 -5.576 8.987 -7.177 529 H GLU 77 H GLU 77 -7.063 7.326 -8.116 530 HA GLU 77 HA GLU 77 -9.625 6.476 -8.991 531 1HB GLU 77 1HB GLU 77 -8.093 5.643 -10.410 532 2HB GLU 77 2HB GLU 77 -6.819 5.970 -9.253 533 1HG GLU 77 1HG GLU 77 -7.082 3.791 -8.253 534 2HG GLU 77 2HG GLU 77 -8.545 3.493 -9.196 535 H LEU 78 H LEU 78 -10.234 6.614 -6.422 536 HA LEU 78 HA LEU 78 -9.413 4.465 -4.779 537 1HB LEU 78 1HB LEU 78 -11.146 6.690 -4.586 538 2HB LEU 78 2HB LEU 78 -12.082 5.270 -4.087 539 HG LEU 78 HG LEU 78 -10.706 6.203 -2.170 540 1HD1 LEU 78 1HD1 LEU 78 -10.631 3.546 -3.236 541 2HD1 LEU 78 2HD1 LEU 78 -9.297 3.940 -2.175 542 3HD1 LEU 78 3HD1 LEU 78 -10.943 4.101 -1.593 543 1HD2 LEU 78 1HD2 LEU 78 -8.810 6.715 -3.956 544 2HD2 LEU 78 2HD2 LEU 78 -8.482 6.417 -2.244 545 3HD2 LEU 78 3HD2 LEU 78 -8.295 5.105 -3.419 546 H LYS 79 H LYS 79 -9.887 2.551 -4.576 547 HA LYS 79 HA LYS 79 -11.660 1.156 -6.507 548 1HB LYS 79 1HB LYS 79 -8.949 1.130 -5.404 549 2HB LYS 79 2HB LYS 79 -9.693 -0.473 -5.355 550 1HG LYS 79 1HG LYS 79 -8.473 -0.145 -7.463 551 2HG LYS 79 2HG LYS 79 -10.196 -0.298 -7.766 552 1HD LYS 79 1HD LYS 79 -10.080 2.358 -7.445 553 2HD LYS 79 2HD LYS 79 -8.437 2.079 -8.020 554 1HE LYS 79 1HE LYS 79 -10.960 1.137 -9.424 555 2HE LYS 79 2HE LYS 79 -9.963 2.520 -9.915 556 1HZ LYS 79 1HZ LYS 79 -8.035 0.921 -9.877 557 2HZ LYS 79 2HZ LYS 79 -9.176 -0.334 -9.785 558 3HZ LYS 79 3HZ LYS 79 -9.151 0.691 -11.137 559 HA PRO 80 HA PRO 80 -13.491 -1.084 -3.110 560 1HB PRO 80 1HB PRO 80 -13.411 -3.662 -4.015 561 2HB PRO 80 2HB PRO 80 -14.523 -2.457 -4.696 562 1HG PRO 80 1HG PRO 80 -11.994 -3.539 -5.793 563 2HG PRO 80 2HG PRO 80 -13.447 -2.981 -6.635 564 1HD PRO 80 1HD PRO 80 -11.089 -1.541 -6.374 565 2HD PRO 80 2HD PRO 80 -12.675 -0.855 -6.784 566 H ASN 81 H ASN 81 -10.454 -2.098 -4.473 567 HA ASN 81 HA ASN 81 -9.583 -3.347 -1.902 568 1HB ASN 81 1HB ASN 81 -7.981 -4.526 -3.287 569 2HB ASN 81 2HB ASN 81 -9.552 -4.635 -4.082 570 1HD2 ASN 81 2HD2 ASN 81 -6.430 -4.225 -4.899 571 2HD2 ASN 81 1HD2 ASN 81 -6.581 -3.156 -6.209 572 H SER 82 H SER 82 -9.617 -0.363 -3.024 573 HA SER 82 HA SER 82 -7.046 0.739 -3.391 574 1HB SER 82 1HB SER 82 -9.548 1.539 -1.931 575 2HB SER 82 2HB SER 82 -8.111 2.535 -1.799 576 HG SER 82 HG SER 82 -8.545 3.268 -3.646 577 H ARG 83 H ARG 83 -6.132 2.215 -1.410 578 HA ARG 83 HA ARG 83 -6.243 0.901 1.189 579 1HB ARG 83 1HB ARG 83 -4.500 -0.235 -0.832 580 2HB ARG 83 2HB ARG 83 -3.596 0.207 0.608 581 1HG ARG 83 1HG ARG 83 -5.809 -1.810 0.310 582 2HG ARG 83 2HG ARG 83 -4.250 -1.982 1.098 583 1HD ARG 83 1HD ARG 83 -5.491 0.031 2.568 584 2HD ARG 83 2HD ARG 83 -6.793 -1.120 2.239 585 HE ARG 83 HE ARG 83 -4.277 -1.725 3.688 586 1HH1 ARG 83 1HH1 ARG 83 -7.553 -2.195 3.592 587 2HH1 ARG 83 2HH1 ARG 83 -7.516 -3.899 3.889 588 1HH2 ARG 83 1HH2 ARG 83 -4.078 -4.156 3.535 589 2HH2 ARG 83 2HH2 ARG 83 -5.547 -5.012 3.862 590 H LEU 84 H LEU 84 -4.487 1.470 2.691 591 HA LEU 84 HA LEU 84 -3.249 4.131 2.129 592 1HB LEU 84 1HB LEU 84 -4.970 3.051 4.212 593 2HB LEU 84 2HB LEU 84 -3.443 3.574 4.909 594 HG LEU 84 HG LEU 84 -5.502 5.244 4.604 595 1HD1 LEU 84 1HD1 LEU 84 -2.676 5.462 4.926 596 2HD1 LEU 84 2HD1 LEU 84 -3.218 6.790 3.900 597 3HD1 LEU 84 3HD1 LEU 84 -3.929 6.563 5.496 598 1HD2 LEU 84 1HD2 LEU 84 -5.364 4.816 2.045 599 2HD2 LEU 84 2HD2 LEU 84 -5.502 6.486 2.600 600 3HD2 LEU 84 3HD2 LEU 84 -3.937 5.851 2.099 601 H CYS 85 H CYS 85 -1.189 3.456 1.534 602 HA CYS 85 HA CYS 85 0.255 1.250 1.922 603 1HB CYS 85 1HB CYS 85 2.106 2.530 1.440 604 2HB CYS 85 2HB CYS 85 0.824 3.658 1.025 605 HG CYS 85 HG CYS 85 2.863 4.050 3.232 606 H CYS 86 H CYS 86 -0.382 3.442 4.688 607 HA CYS 86 HA CYS 86 1.514 1.922 6.346 608 1HB CYS 86 1HB CYS 86 0.789 3.472 8.111 609 2HB CYS 86 2HB CYS 86 1.182 4.335 6.634 610 H GLN 87 H GLN 87 -1.287 0.837 5.193 611 HA GLN 87 HA GLN 87 -2.009 -0.461 7.802 612 1HB GLN 87 1HB GLN 87 -3.535 1.290 6.330 613 2HB GLN 87 2HB GLN 87 -4.116 -0.277 5.764 614 1HG GLN 87 1HG GLN 87 -5.416 0.397 7.720 615 2HG GLN 87 2HG GLN 87 -4.407 -0.988 8.134 616 1HE2 GLN 87 2HE2 GLN 87 -3.239 2.377 7.803 617 2HE2 GLN 87 1HE2 GLN 87 -2.791 2.548 9.430 618 H ILE 88 H ILE 88 -0.291 -1.325 5.335 619 HA ILE 88 HA ILE 88 -1.789 -3.867 4.796 620 HB ILE 88 HB ILE 88 -0.328 -1.901 3.125 621 1HG1 ILE 88 1HG1 ILE 88 -2.852 -2.778 3.210 622 2HG1 ILE 88 2HG1 ILE 88 -2.113 -2.200 1.721 623 1HG2 ILE 88 1HG2 ILE 88 0.068 -4.874 2.777 624 2HG2 ILE 88 2HG2 ILE 88 0.204 -3.744 1.428 625 3HG2 ILE 88 3HG2 ILE 88 1.291 -3.604 2.808 626 1HD1 ILE 88 1HD1 ILE 88 -1.754 -5.078 2.397 627 2HD1 ILE 88 2HD1 ILE 88 -3.355 -4.567 1.860 628 3HD1 ILE 88 3HD1 ILE 88 -1.951 -4.314 0.824 629 H ILE 89 H ILE 89 -0.828 -5.341 6.241 630 HA ILE 89 HA ILE 89 2.107 -5.285 6.643 631 HB ILE 89 HB ILE 89 -0.284 -6.489 7.937 632 1HG1 ILE 89 1HG1 ILE 89 0.582 -5.506 9.865 633 2HG1 ILE 89 2HG1 ILE 89 2.249 -5.662 9.313 634 1HG2 ILE 89 1HG2 ILE 89 2.307 -7.914 7.642 635 2HG2 ILE 89 2HG2 ILE 89 1.637 -7.858 9.272 636 3HG2 ILE 89 3HG2 ILE 89 0.696 -8.561 7.957 637 1HD1 ILE 89 1HD1 ILE 89 0.269 -3.827 7.949 638 2HD1 ILE 89 2HD1 ILE 89 1.269 -3.293 9.302 639 3HD1 ILE 89 3HD1 ILE 89 2.027 -3.834 7.803 640 H MET 90 H MET 90 3.461 -6.670 5.631 641 HA MET 90 HA MET 90 2.451 -8.404 3.513 642 1HB MET 90 1HB MET 90 4.630 -6.815 3.976 643 2HB MET 90 2HB MET 90 5.294 -8.414 4.296 644 1HG MET 90 1HG MET 90 5.518 -7.703 1.915 645 2HG MET 90 2HG MET 90 4.613 -9.196 2.113 646 1HE MET 90 1HE MET 90 2.770 -9.707 1.846 647 2HE MET 90 2HE MET 90 1.254 -8.830 1.513 648 3HE MET 90 3HE MET 90 2.363 -9.265 0.197 649 H THR 91 H THR 91 1.818 -10.528 3.974 650 HA THR 91 HA THR 91 3.178 -11.824 6.326 651 HB THR 91 HB THR 91 1.272 -13.008 6.623 652 HG1 THR 91 HG1 THR 91 0.609 -13.151 3.919 653 1HG2 THR 91 1HG2 THR 91 0.609 -10.527 5.662 654 2HG2 THR 91 2HG2 THR 91 -0.312 -11.599 4.611 655 3HG2 THR 91 3HG2 THR 91 -0.529 -11.680 6.353 656 HA PRO 92 HA PRO 92 5.402 -14.593 3.893 657 1HB PRO 92 1HB PRO 92 5.003 -16.980 5.146 658 2HB PRO 92 2HB PRO 92 5.977 -15.687 5.846 659 1HG PRO 92 1HG PRO 92 3.254 -16.596 6.526 660 2HG PRO 92 2HG PRO 92 4.487 -15.849 7.549 661 1HD PRO 92 1HD PRO 92 2.261 -14.571 6.463 662 2HD PRO 92 2HD PRO 92 3.686 -13.774 7.160 663 H GLU 93 H GLU 93 1.984 -14.931 4.002 664 HA GLU 93 HA GLU 93 2.001 -17.156 2.022 665 1HB GLU 93 1HB GLU 93 -0.586 -16.169 2.191 666 2HB GLU 93 2HB GLU 93 0.022 -17.586 3.032 667 1HG GLU 93 1HG GLU 93 0.795 -15.857 4.815 668 2HG GLU 93 2HG GLU 93 -0.383 -14.798 4.026 669 H LEU 94 H LEU 94 1.558 -13.775 2.400 670 HA LEU 94 HA LEU 94 0.665 -13.330 -0.353 671 1HB LEU 94 1HB LEU 94 1.233 -11.600 2.067 672 2HB LEU 94 2HB LEU 94 0.680 -10.943 0.541 673 HG LEU 94 HG LEU 94 -0.729 -13.202 1.935 674 1HD1 LEU 94 1HD1 LEU 94 -0.608 -10.798 3.065 675 2HD1 LEU 94 2HD1 LEU 94 -1.828 -10.427 1.851 676 3HD1 LEU 94 3HD1 LEU 94 -2.111 -11.713 3.029 677 1HD2 LEU 94 1HD2 LEU 94 -0.746 -12.366 -0.629 678 2HD2 LEU 94 2HD2 LEU 94 -2.146 -13.089 0.178 679 3HD2 LEU 94 3HD2 LEU 94 -1.998 -11.339 0.049 680 H ASP 95 H ASP 95 3.382 -14.435 0.232 681 HA ASP 95 HA ASP 95 5.309 -12.391 -0.228 682 1HB ASP 95 1HB ASP 95 6.752 -14.300 -0.817 683 2HB ASP 95 2HB ASP 95 5.748 -14.727 0.569 684 H GLY 96 H GLY 96 4.964 -11.020 -1.992 685 1HA GLY 96 1HA GLY 96 5.552 -11.058 -4.479 686 2HA GLY 96 2HA GLY 96 4.353 -12.344 -4.612 687 H ILE 97 H ILE 97 3.573 -9.875 -2.411 688 HA ILE 97 HA ILE 97 1.140 -9.116 -3.485 689 HB ILE 97 HB ILE 97 1.555 -8.525 -1.252 690 1HG1 ILE 97 1HG1 ILE 97 1.455 -6.151 -1.053 691 2HG1 ILE 97 2HG1 ILE 97 2.300 -5.919 -2.587 692 1HG2 ILE 97 1HG2 ILE 97 4.242 -8.151 -2.270 693 2HG2 ILE 97 2HG2 ILE 97 3.796 -6.882 -1.130 694 3HG2 ILE 97 3HG2 ILE 97 3.708 -8.585 -0.659 695 1HD1 ILE 97 1HD1 ILE 97 0.135 -7.570 -3.157 696 2HD1 ILE 97 2HD1 ILE 97 -0.508 -6.327 -2.097 697 3HD1 ILE 97 3HD1 ILE 97 0.304 -5.875 -3.596 698 H VAL 98 H VAL 98 0.443 -7.581 -4.877 699 HA VAL 98 HA VAL 98 2.519 -6.060 -6.397 700 HB VAL 98 HB VAL 98 -0.266 -6.724 -7.333 701 1HG1 VAL 98 1HG1 VAL 98 2.419 -6.220 -8.615 702 2HG1 VAL 98 2HG1 VAL 98 1.085 -6.935 -9.520 703 3HG1 VAL 98 3HG1 VAL 98 0.918 -5.321 -8.830 704 1HG2 VAL 98 1HG2 VAL 98 2.112 -8.614 -7.306 705 2HG2 VAL 98 2HG2 VAL 98 0.540 -8.891 -6.551 706 3HG2 VAL 98 3HG2 VAL 98 0.687 -8.859 -8.312 707 H VAL 99 H VAL 99 2.419 -3.938 -5.557 708 HA VAL 99 HA VAL 99 -0.234 -2.950 -4.588 709 HB VAL 99 HB VAL 99 2.146 -1.213 -4.346 710 1HG1 VAL 99 1HG1 VAL 99 -0.259 -2.097 -2.898 711 2HG1 VAL 99 2HG1 VAL 99 1.140 -1.808 -1.857 712 3HG1 VAL 99 3HG1 VAL 99 0.534 -0.519 -2.899 713 1HG2 VAL 99 1HG2 VAL 99 2.081 -3.951 -3.034 714 2HG2 VAL 99 2HG2 VAL 99 3.337 -3.322 -4.100 715 3HG2 VAL 99 3HG2 VAL 99 3.109 -2.620 -2.499 716 H ASP 100 H ASP 100 -1.045 -0.922 -5.330 717 HA ASP 100 HA ASP 100 0.077 -0.085 -7.980 718 1HB ASP 100 1HB ASP 100 -2.496 -1.072 -7.143 719 2HB ASP 100 2HB ASP 100 -2.659 0.520 -7.878 720 H VAL 101 H VAL 101 0.646 1.983 -8.086 721 HA VAL 101 HA VAL 101 -0.191 3.780 -5.877 722 HB VAL 101 HB VAL 101 1.944 3.847 -8.010 723 1HG1 VAL 101 1HG1 VAL 101 1.305 5.887 -5.871 724 2HG1 VAL 101 2HG1 VAL 101 2.753 5.899 -6.876 725 3HG1 VAL 101 3HG1 VAL 101 1.168 6.125 -7.612 726 1HG2 VAL 101 1HG2 VAL 101 2.185 2.323 -6.007 727 2HG2 VAL 101 2HG2 VAL 101 3.461 3.531 -6.158 728 3HG2 VAL 101 3HG2 VAL 101 2.159 3.765 -4.990 729 HA PRO 102 HA PRO 102 -2.890 5.811 -8.739 730 1HB PRO 102 1HB PRO 102 -3.795 7.689 -6.994 731 2HB PRO 102 2HB PRO 102 -4.254 5.982 -6.891 732 1HG PRO 102 1HG PRO 102 -2.466 7.532 -5.173 733 2HG PRO 102 2HG PRO 102 -3.334 6.031 -4.838 734 1HD PRO 102 1HD PRO 102 -0.582 6.354 -5.526 735 2HD PRO 102 2HD PRO 102 -1.469 4.854 -5.214 736 H ASP 103 H ASP 103 -3.390 8.169 -9.375 737 HA ASP 103 HA ASP 103 -0.845 9.637 -9.786 738 1HB ASP 103 1HB ASP 103 -2.334 10.945 -11.346 739 2HB ASP 103 2HB ASP 103 -2.306 9.216 -11.696 740 H ARG 104 H ARG 104 -3.659 9.677 -7.798 741 HA ARG 104 HA ARG 104 -3.102 12.486 -6.936 742 1HB ARG 104 1HB ARG 104 -5.568 10.881 -6.260 743 2HB ARG 104 2HB ARG 104 -5.396 12.628 -6.376 744 1HG ARG 104 1HG ARG 104 -4.806 11.329 -8.922 745 2HG ARG 104 2HG ARG 104 -6.425 10.939 -8.345 746 1HD ARG 104 1HD ARG 104 -6.349 13.038 -9.733 747 2HD ARG 104 2HD ARG 104 -6.935 13.328 -8.081 748 HE ARG 104 HE ARG 104 -4.108 13.534 -8.048 749 1HH1 ARG 104 1HH1 ARG 104 -7.000 15.181 -8.890 750 2HH1 ARG 104 2HH1 ARG 104 -6.230 16.717 -9.104 751 1HH2 ARG 104 1HH2 ARG 104 -3.037 15.498 -8.515 752 2HH2 ARG 104 2HH2 ARG 104 -3.987 16.897 -8.891 753 H GLN 105 H GLN 105 -1.238 11.139 -5.832 754 HA GLN 105 HA GLN 105 -2.237 9.657 -3.469 755 1HB GLN 105 1HB GLN 105 0.094 8.928 -3.312 756 2HB GLN 105 2HB GLN 105 -0.432 8.792 -4.990 757 1HG GLN 105 1HG GLN 105 0.493 11.331 -5.017 758 2HG GLN 105 2HG GLN 105 1.540 10.648 -3.772 759 1HE2 GLN 105 2HE2 GLN 105 2.800 11.377 -6.122 760 2HE2 GLN 105 1HE2 GLN 105 3.211 10.004 -7.030 761 H TRP 106 H TRP 106 -2.853 12.307 -3.302 762 HA TRP 106 HA TRP 106 -0.870 13.999 -2.034 763 1HB TRP 106 1HB TRP 106 -2.692 15.496 -1.959 764 2HB TRP 106 2HB TRP 106 -3.072 14.476 -3.352 765 HD1 TRP 106 HD1 TRP 106 -5.285 13.087 -3.217 766 HE1 TRP 106 HE1 TRP 106 -7.048 12.717 -1.361 767 HE3 TRP 106 HE3 TRP 106 -2.881 15.317 0.617 768 HZ2 TRP 106 HZ2 TRP 106 -7.378 13.352 1.445 769 HZ3 TRP 106 HZ3 TRP 106 -3.905 15.456 2.876 770 HH2 TRP 106 HH2 TRP 106 -6.150 14.469 3.299 Start of MODEL 10 1 3H SER 1 3H SER 1 8.890 -13.420 1.569 2 1H SER 1 1H SER 1 8.583 -11.986 2.424 3 2H SER 1 2H SER 1 7.704 -13.395 2.782 4 HA SER 1 HA SER 1 6.729 -13.332 0.519 5 1HB SER 1 1HB SER 1 5.063 -11.953 1.348 6 2HB SER 1 2HB SER 1 6.037 -12.109 2.819 7 HG SER 1 HG SER 1 6.024 -10.033 0.904 8 H LYS 2 H LYS 2 6.497 -12.058 -1.432 9 HA LYS 2 HA LYS 2 8.716 -10.182 -1.956 10 1HB LYS 2 1HB LYS 2 6.868 -11.965 -3.472 11 2HB LYS 2 2HB LYS 2 7.475 -10.529 -4.297 12 1HG LYS 2 1HG LYS 2 9.338 -12.239 -2.746 13 2HG LYS 2 2HG LYS 2 8.859 -12.738 -4.366 14 1HD LYS 2 1HD LYS 2 10.010 -11.022 -5.369 15 2HD LYS 2 2HD LYS 2 9.671 -9.901 -4.052 16 1HE LYS 2 1HE LYS 2 11.862 -10.234 -3.489 17 2HE LYS 2 2HE LYS 2 11.282 -11.771 -2.815 18 1HZ LYS 2 1HZ LYS 2 11.421 -12.469 -5.331 19 2HZ LYS 2 2HZ LYS 2 12.601 -11.248 -5.379 20 3HZ LYS 2 3HZ LYS 2 12.784 -12.561 -4.322 21 H VAL 3 H VAL 3 8.283 -8.112 -2.625 22 HA VAL 3 HA VAL 3 5.472 -7.197 -2.647 23 HB VAL 3 HB VAL 3 7.854 -6.200 -1.130 24 1HG1 VAL 3 1HG1 VAL 3 6.483 -4.344 -2.361 25 2HG1 VAL 3 2HG1 VAL 3 5.164 -4.794 -1.222 26 3HG1 VAL 3 3HG1 VAL 3 6.714 -4.187 -0.606 27 1HG2 VAL 3 1HG2 VAL 3 5.787 -7.957 -0.648 28 2HG2 VAL 3 2HG2 VAL 3 6.768 -7.190 0.582 29 3HG2 VAL 3 3HG2 VAL 3 5.235 -6.472 0.105 30 H VAL 4 H VAL 4 4.996 -5.930 -4.284 31 HA VAL 4 HA VAL 4 7.202 -4.458 -5.619 32 HB VAL 4 HB VAL 4 5.258 -6.312 -6.975 33 1HG1 VAL 4 1HG1 VAL 4 6.060 -4.196 -8.216 34 2HG1 VAL 4 2HG1 VAL 4 7.646 -4.967 -8.218 35 3HG1 VAL 4 3HG1 VAL 4 6.287 -5.745 -9.029 36 1HG2 VAL 4 1HG2 VAL 4 6.998 -7.482 -5.702 37 2HG2 VAL 4 2HG2 VAL 4 7.260 -7.673 -7.437 38 3HG2 VAL 4 3HG2 VAL 4 8.236 -6.526 -6.517 39 H TYR 5 H TYR 5 6.228 -2.553 -4.801 40 HA TYR 5 HA TYR 5 3.486 -1.803 -5.138 41 1HB TYR 5 1HB TYR 5 5.958 -0.059 -4.955 42 2HB TYR 5 2HB TYR 5 4.322 0.401 -4.529 43 HD1 TYR 5 HD1 TYR 5 7.149 -1.909 -3.529 44 HD2 TYR 5 HD2 TYR 5 3.448 0.007 -2.392 45 HE1 TYR 5 HE1 TYR 5 7.541 -2.542 -1.247 46 HE2 TYR 5 HE2 TYR 5 3.878 -0.649 -0.059 47 HH TYR 5 HH TYR 5 6.501 -2.829 0.806 48 H VAL 6 H VAL 6 2.539 -0.888 -6.980 49 HA VAL 6 HA VAL 6 4.313 -0.577 -9.340 50 HB VAL 6 HB VAL 6 1.309 -0.697 -8.988 51 1HG1 VAL 6 1HG1 VAL 6 3.125 -0.468 -11.355 52 2HG1 VAL 6 2HG1 VAL 6 1.600 -1.339 -11.509 53 3HG1 VAL 6 3HG1 VAL 6 1.603 0.360 -11.038 54 1HG2 VAL 6 1HG2 VAL 6 3.351 -2.760 -9.840 55 2HG2 VAL 6 2HG2 VAL 6 2.419 -2.785 -8.336 56 3HG2 VAL 6 3HG2 VAL 6 1.603 -2.992 -9.893 57 H SER 7 H SER 7 3.759 1.337 -10.769 58 HA SER 7 HA SER 7 3.368 3.749 -9.063 59 1HB SER 7 1HB SER 7 4.530 4.883 -10.926 60 2HB SER 7 2HB SER 7 5.453 3.492 -10.373 61 HG SER 7 HG SER 7 3.899 2.508 -12.163 62 H HIS 8 H HIS 8 2.718 5.424 -11.358 63 HA HIS 8 HA HIS 8 -0.161 4.746 -11.554 64 1HB HIS 8 1HB HIS 8 0.871 7.117 -12.990 65 2HB HIS 8 2HB HIS 8 -0.439 7.003 -11.828 66 HD1 HIS 8 HD1 HIS 8 1.281 5.842 -9.461 67 HD2 HIS 8 HD2 HIS 8 2.324 9.166 -11.738 68 HE1 HIS 8 HE1 HIS 8 2.837 7.233 -8.023 69 H ASP 9 H ASP 9 2.736 4.976 -13.514 70 HA ASP 9 HA ASP 9 1.263 4.310 -15.999 71 1HB ASP 9 1HB ASP 9 3.312 4.872 -17.072 72 2HB ASP 9 2HB ASP 9 3.202 5.995 -15.718 73 H GLY 10 H GLY 10 2.523 2.639 -13.392 74 1HA GLY 10 1HA GLY 10 2.227 0.162 -13.442 75 2HA GLY 10 2HA GLY 10 2.927 0.190 -15.062 76 H THR 11 H THR 11 5.002 2.237 -14.062 77 HA THR 11 HA THR 11 7.107 0.472 -13.564 78 HB THR 11 HB THR 11 6.614 3.292 -13.613 79 HG1 THR 11 HG1 THR 11 9.115 2.020 -13.601 80 1HG2 THR 11 1HG2 THR 11 8.218 2.233 -11.303 81 2HG2 THR 11 2HG2 THR 11 8.629 3.791 -12.032 82 3HG2 THR 11 3HG2 THR 11 7.038 3.553 -11.302 83 H ARG 12 H ARG 12 7.623 -0.668 -11.824 84 HA ARG 12 HA ARG 12 6.274 -0.058 -9.222 85 1HB ARG 12 1HB ARG 12 7.163 -2.824 -9.961 86 2HB ARG 12 2HB ARG 12 5.791 -2.320 -8.976 87 1HG ARG 12 1HG ARG 12 4.577 -1.582 -10.952 88 2HG ARG 12 2HG ARG 12 5.973 -1.917 -11.977 89 1HD ARG 12 1HD ARG 12 4.696 -4.082 -10.287 90 2HD ARG 12 2HD ARG 12 4.155 -3.733 -11.942 91 HE ARG 12 HE ARG 12 6.938 -3.887 -12.113 92 1HH1 ARG 12 1HH1 ARG 12 4.193 -5.865 -11.539 93 2HH1 ARG 12 2HH1 ARG 12 5.050 -7.356 -11.739 94 1HH2 ARG 12 1HH2 ARG 12 8.134 -5.832 -12.174 95 2HH2 ARG 12 2HH2 ARG 12 7.281 -7.338 -12.100 96 H ARG 13 H ARG 13 7.472 -1.669 -7.522 97 HA ARG 13 HA ARG 13 10.426 -1.297 -7.636 98 1HB ARG 13 1HB ARG 13 9.541 -1.063 -4.954 99 2HB ARG 13 2HB ARG 13 10.212 0.232 -5.939 100 1HG ARG 13 1HG ARG 13 7.297 -0.483 -6.136 101 2HG ARG 13 2HG ARG 13 7.871 0.543 -4.825 102 1HD ARG 13 1HD ARG 13 8.853 1.277 -7.535 103 2HD ARG 13 2HD ARG 13 7.123 1.542 -7.236 104 HE ARG 13 HE ARG 13 8.034 2.633 -5.009 105 1HH1 ARG 13 1HH1 ARG 13 9.003 2.990 -8.275 106 2HH1 ARG 13 2HH1 ARG 13 10.019 4.360 -7.974 107 1HH2 ARG 13 1HH2 ARG 13 9.555 4.282 -4.539 108 2HH2 ARG 13 2HH2 ARG 13 10.332 5.091 -5.859 109 H GLU 14 H GLU 14 11.177 -2.758 -5.504 110 HA GLU 14 HA GLU 14 9.242 -4.947 -5.138 111 1HB GLU 14 1HB GLU 14 11.698 -6.259 -5.815 112 2HB GLU 14 2HB GLU 14 10.172 -6.322 -6.682 113 1HG GLU 14 1HG GLU 14 11.990 -3.961 -7.086 114 2HG GLU 14 2HG GLU 14 12.357 -5.481 -7.896 115 H LEU 15 H LEU 15 9.299 -5.052 -2.950 116 HA LEU 15 HA LEU 15 11.879 -4.868 -1.464 117 1HB LEU 15 1HB LEU 15 9.002 -4.872 -0.515 118 2HB LEU 15 2HB LEU 15 10.407 -4.375 0.416 119 HG LEU 15 HG LEU 15 9.009 -3.008 -1.809 120 1HD1 LEU 15 1HD1 LEU 15 9.056 -2.735 0.918 121 2HD1 LEU 15 2HD1 LEU 15 10.260 -1.544 0.417 122 3HD1 LEU 15 3HD1 LEU 15 8.608 -1.446 -0.197 123 1HD2 LEU 15 1HD2 LEU 15 11.909 -3.039 -1.318 124 2HD2 LEU 15 2HD2 LEU 15 11.010 -2.560 -2.757 125 3HD2 LEU 15 3HD2 LEU 15 11.191 -1.432 -1.411 126 H ASP 16 H ASP 16 10.908 -6.083 0.801 127 HA ASP 16 HA ASP 16 10.009 -8.818 0.229 128 1HB ASP 16 1HB ASP 16 12.518 -8.758 -0.118 129 2HB ASP 16 2HB ASP 16 12.690 -8.197 1.547 130 H VAL 17 H VAL 17 8.335 -7.432 1.479 131 HA VAL 17 HA VAL 17 9.026 -6.856 4.323 132 HB VAL 17 HB VAL 17 6.256 -6.651 3.166 133 1HG1 VAL 17 1HG1 VAL 17 7.854 -5.593 5.274 134 2HG1 VAL 17 2HG1 VAL 17 7.196 -4.285 4.292 135 3HG1 VAL 17 3HG1 VAL 17 6.108 -5.467 5.024 136 1HG2 VAL 17 1HG2 VAL 17 8.692 -5.146 2.211 137 2HG2 VAL 17 2HG2 VAL 17 7.349 -5.756 1.259 138 3HG2 VAL 17 3HG2 VAL 17 7.127 -4.340 2.270 139 H ALA 18 H ALA 18 8.702 -8.267 5.919 140 HA ALA 18 HA ALA 18 7.491 -10.892 5.359 141 1HB ALA 18 1HB ALA 18 8.893 -9.586 7.682 142 2HB ALA 18 2HB ALA 18 8.231 -11.222 7.778 143 3HB ALA 18 3HB ALA 18 9.514 -10.854 6.614 144 H ASP 19 H ASP 19 6.371 -11.811 7.369 145 HA ASP 19 HA ASP 19 3.769 -10.717 7.692 146 1HB ASP 19 1HB ASP 19 3.840 -12.419 9.600 147 2HB ASP 19 2HB ASP 19 4.211 -13.059 8.012 148 H GLY 20 H GLY 20 3.398 -8.853 8.757 149 1HA GLY 20 1HA GLY 20 3.258 -7.836 11.018 150 2HA GLY 20 2HA GLY 20 4.911 -8.383 11.284 151 H VAL 21 H VAL 21 5.531 -7.449 8.327 152 HA VAL 21 HA VAL 21 6.148 -4.707 9.236 153 HB VAL 21 HB VAL 21 6.724 -6.124 6.632 154 1HG1 VAL 21 1HG1 VAL 21 7.551 -3.480 7.792 155 2HG1 VAL 21 2HG1 VAL 21 8.411 -4.249 6.454 156 3HG1 VAL 21 3HG1 VAL 21 6.717 -3.800 6.268 157 1HG2 VAL 21 1HG2 VAL 21 7.875 -7.011 8.746 158 2HG2 VAL 21 2HG2 VAL 21 8.908 -6.531 7.386 159 3HG2 VAL 21 3HG2 VAL 21 8.698 -5.450 8.782 160 H SER 22 H SER 22 5.434 -2.906 8.115 161 HA SER 22 HA SER 22 2.934 -3.317 6.534 162 1HB SER 22 1HB SER 22 3.056 -0.679 6.849 163 2HB SER 22 2HB SER 22 2.559 -1.700 8.196 164 HG SER 22 HG SER 22 4.395 -0.030 8.385 165 H LEU 23 H LEU 23 3.165 -3.200 4.262 166 HA LEU 23 HA LEU 23 5.547 -2.960 2.884 167 1HB LEU 23 1HB LEU 23 2.741 -2.050 2.347 168 2HB LEU 23 2HB LEU 23 3.975 -1.881 1.133 169 HG LEU 23 HG LEU 23 2.755 -4.376 2.203 170 1HD1 LEU 23 1HD1 LEU 23 3.634 -3.443 -0.503 171 2HD1 LEU 23 2HD1 LEU 23 2.857 -4.990 -0.168 172 3HD1 LEU 23 3HD1 LEU 23 1.985 -3.485 0.120 173 1HD2 LEU 23 1HD2 LEU 23 5.223 -4.595 2.626 174 2HD2 LEU 23 2HD2 LEU 23 4.564 -5.761 1.498 175 3HD2 LEU 23 3HD2 LEU 23 5.469 -4.374 0.893 176 H MET 24 H MET 24 3.772 -0.448 4.484 177 HA MET 24 HA MET 24 5.007 1.774 3.194 178 1HB MET 24 1HB MET 24 3.412 2.705 4.515 179 2HB MET 24 2HB MET 24 3.173 1.124 5.270 180 1HG MET 24 1HG MET 24 4.560 1.633 7.075 181 2HG MET 24 2HG MET 24 5.508 2.803 6.160 182 1HE MET 24 1HE MET 24 5.450 4.982 6.326 183 2HE MET 24 2HE MET 24 4.141 5.165 5.160 184 3HE MET 24 3HE MET 24 4.096 6.068 6.672 185 H GLN 25 H GLN 25 5.783 -0.053 6.118 186 HA GLN 25 HA GLN 25 8.177 1.337 6.800 187 1HB GLN 25 1HB GLN 25 7.310 -0.103 8.422 188 2HB GLN 25 2HB GLN 25 6.921 -1.347 7.234 189 1HG GLN 25 1HG GLN 25 9.157 -2.109 7.126 190 2HG GLN 25 2HG GLN 25 9.787 -0.630 7.852 191 1HE2 GLN 25 2HE2 GLN 25 6.897 -2.044 9.244 192 2HE2 GLN 25 1HE2 GLN 25 7.638 -2.660 10.643 193 H ALA 26 H ALA 26 7.972 -1.930 5.234 194 HA ALA 26 HA ALA 26 10.625 -2.115 4.373 195 1HB ALA 26 1HB ALA 26 8.034 -2.915 3.021 196 2HB ALA 26 2HB ALA 26 9.616 -3.506 2.515 197 3HB ALA 26 3HB ALA 26 9.004 -3.894 4.126 198 H ALA 27 H ALA 27 8.006 -0.805 2.255 199 HA ALA 27 HA ALA 27 9.533 0.144 0.119 200 1HB ALA 27 1HB ALA 27 7.058 1.120 1.532 201 2HB ALA 27 2HB ALA 27 7.672 1.969 0.113 202 3HB ALA 27 3HB ALA 27 7.184 0.279 -0.013 203 H VAL 28 H VAL 28 8.653 2.083 3.000 204 HA VAL 28 HA VAL 28 10.328 4.320 2.327 205 HB VAL 28 HB VAL 28 8.473 3.451 4.327 206 1HG1 VAL 28 1HG1 VAL 28 10.558 3.051 5.706 207 2HG1 VAL 28 2HG1 VAL 28 10.903 4.775 5.561 208 3HG1 VAL 28 3HG1 VAL 28 9.439 4.234 6.385 209 1HG2 VAL 28 1HG2 VAL 28 9.260 5.795 2.975 210 2HG2 VAL 28 2HG2 VAL 28 7.853 5.576 4.017 211 3HG2 VAL 28 3HG2 VAL 28 9.370 6.162 4.696 212 H SER 29 H SER 29 11.163 1.180 3.213 213 HA SER 29 HA SER 29 13.683 1.913 4.602 214 1HB SER 29 1HB SER 29 13.084 0.003 5.651 215 2HB SER 29 2HB SER 29 11.745 -0.154 4.523 216 HG SER 29 HG SER 29 12.985 -1.944 4.217 217 H ASN 30 H ASN 30 12.405 0.708 1.578 218 HA ASN 30 HA ASN 30 15.070 -0.002 0.526 219 1HB ASN 30 1HB ASN 30 12.192 -0.191 -0.425 220 2HB ASN 30 2HB ASN 30 13.556 -0.770 -1.359 221 1HD2 ASN 30 2HD2 ASN 30 12.193 -1.109 1.940 222 2HD2 ASN 30 1HD2 ASN 30 12.575 -2.755 2.098 223 H GLY 31 H GLY 31 13.308 2.704 1.056 224 1HA GLY 31 1HA GLY 31 13.723 4.891 0.187 225 2HA GLY 31 2HA GLY 31 14.647 4.171 -1.131 226 H ILE 32 H ILE 32 11.636 2.683 -0.629 227 HA ILE 32 HA ILE 32 10.633 3.519 -3.210 228 HB ILE 32 HB ILE 32 9.638 1.909 -0.865 229 1HG1 ILE 32 1HG1 ILE 32 10.554 1.317 -3.687 230 2HG1 ILE 32 2HG1 ILE 32 11.346 0.852 -2.180 231 1HG2 ILE 32 1HG2 ILE 32 7.874 3.203 -2.520 232 2HG2 ILE 32 2HG2 ILE 32 8.132 1.693 -3.394 233 3HG2 ILE 32 3HG2 ILE 32 7.550 1.660 -1.731 234 1HD1 ILE 32 1HD1 ILE 32 8.596 -0.074 -3.032 235 2HD1 ILE 32 2HD1 ILE 32 10.072 -1.021 -3.202 236 3HD1 ILE 32 3HD1 ILE 32 9.482 -0.590 -1.601 237 H TYR 33 H TYR 33 9.413 3.974 0.063 238 HA TYR 33 HA TYR 33 7.558 6.090 -0.733 239 1HB TYR 33 1HB TYR 33 8.393 4.657 1.769 240 2HB TYR 33 2HB TYR 33 7.425 6.128 1.888 241 HD1 TYR 33 HD1 TYR 33 6.728 4.649 -1.232 242 HD2 TYR 33 HD2 TYR 33 5.897 4.192 2.960 243 HE1 TYR 33 HE1 TYR 33 4.699 3.390 -1.779 244 HE2 TYR 33 HE2 TYR 33 3.863 2.904 2.404 245 HH TYR 33 HH TYR 33 2.803 2.498 -0.969 246 H ASP 34 H ASP 34 10.053 6.911 -1.517 247 HA ASP 34 HA ASP 34 11.743 8.296 0.220 248 1HB ASP 34 1HB ASP 34 12.300 9.618 -1.740 249 2HB ASP 34 2HB ASP 34 11.918 7.981 -2.276 250 H ILE 35 H ILE 35 8.438 9.049 -0.599 251 HA ILE 35 HA ILE 35 8.517 11.858 0.154 252 HB ILE 35 HB ILE 35 6.067 11.610 -0.005 253 1HG1 ILE 35 1HG1 ILE 35 5.689 8.966 -0.801 254 2HG1 ILE 35 2HG1 ILE 35 6.775 8.834 0.583 255 1HG2 ILE 35 1HG2 ILE 35 7.798 10.262 -2.071 256 2HG2 ILE 35 2HG2 ILE 35 6.055 10.400 -2.309 257 3HG2 ILE 35 3HG2 ILE 35 7.039 11.853 -2.135 258 1HD1 ILE 35 1HD1 ILE 35 4.991 10.707 1.480 259 2HD1 ILE 35 2HD1 ILE 35 3.953 9.689 0.484 260 3HD1 ILE 35 3HD1 ILE 35 4.868 8.980 1.814 261 H VAL 36 H VAL 36 8.298 12.711 2.211 262 HA VAL 36 HA VAL 36 7.837 10.773 4.452 263 HB VAL 36 HB VAL 36 10.048 11.876 4.321 264 1HG1 VAL 36 1HG1 VAL 36 8.300 14.317 4.190 265 2HG1 VAL 36 2HG1 VAL 36 9.908 14.437 4.903 266 3HG1 VAL 36 3HG1 VAL 36 9.724 13.916 3.229 267 1HG2 VAL 36 1HG2 VAL 36 8.452 11.632 6.533 268 2HG2 VAL 36 2HG2 VAL 36 10.141 12.136 6.584 269 3HG2 VAL 36 3HG2 VAL 36 8.858 13.347 6.592 270 H GLY 37 H GLY 37 5.480 11.559 3.384 271 1HA GLY 37 1HA GLY 37 4.558 13.772 5.178 272 2HA GLY 37 2HA GLY 37 3.869 13.494 3.578 273 H ASP 38 H ASP 38 4.722 10.971 5.913 274 HA ASP 38 HA ASP 38 1.878 10.071 5.848 275 1HB ASP 38 1HB ASP 38 2.954 7.965 6.754 276 2HB ASP 38 2HB ASP 38 3.553 8.460 5.170 277 H CYS 39 H CYS 39 0.879 9.392 7.887 278 HA CYS 39 HA CYS 39 1.416 11.228 10.091 279 1HB CYS 39 1HB CYS 39 -0.519 9.983 11.082 280 2HB CYS 39 2HB CYS 39 -0.844 10.545 9.443 281 H GLY 40 H GLY 40 2.703 8.215 9.185 282 1HA GLY 40 1HA GLY 40 4.342 6.939 10.322 283 2HA GLY 40 2HA GLY 40 4.119 7.975 11.733 284 H GLY 41 H GLY 41 1.534 6.254 10.041 285 1HA GLY 41 1HA GLY 41 0.413 4.251 10.721 286 2HA GLY 41 2HA GLY 41 1.394 4.229 12.187 287 H SER 42 H SER 42 0.264 7.339 11.741 288 HA SER 42 HA SER 42 -1.662 7.048 13.943 289 1HB SER 42 1HB SER 42 0.077 8.999 12.922 290 2HB SER 42 2HB SER 42 -1.536 9.637 12.617 291 HG SER 42 HG SER 42 -0.282 9.758 14.849 292 H ALA 43 H ALA 43 -1.936 6.437 10.730 293 HA ALA 43 HA ALA 43 -3.710 6.566 9.154 294 1HB ALA 43 1HB ALA 43 -4.345 5.012 11.103 295 2HB ALA 43 2HB ALA 43 -5.356 6.336 11.681 296 3HB ALA 43 3HB ALA 43 -5.675 5.605 10.108 297 H SER 44 H SER 44 -2.868 9.166 9.710 298 HA SER 44 HA SER 44 -5.470 10.638 9.696 299 1HB SER 44 1HB SER 44 -4.676 12.157 11.345 300 2HB SER 44 2HB SER 44 -4.213 10.569 11.948 301 HG SER 44 HG SER 44 -2.666 12.667 11.101 302 H CYS 45 H CYS 45 -3.294 9.849 7.655 303 HA CYS 45 HA CYS 45 -2.820 12.631 6.642 304 1HB CYS 45 1HB CYS 45 -0.581 12.091 6.179 305 2HB CYS 45 2HB CYS 45 -0.859 11.246 7.699 306 H ALA 46 H ALA 46 -1.803 12.038 4.164 307 HA ALA 46 HA ALA 46 -3.604 10.054 2.879 308 1HB ALA 46 1HB ALA 46 -4.640 12.419 3.197 309 2HB ALA 46 2HB ALA 46 -3.527 12.911 1.921 310 3HB ALA 46 3HB ALA 46 -4.744 11.678 1.600 311 H THR 47 H THR 47 -0.553 11.122 3.180 312 HA THR 47 HA THR 47 0.217 11.343 0.350 313 HB THR 47 HB THR 47 2.386 11.756 1.271 314 HG1 THR 47 HG1 THR 47 3.055 10.667 2.921 315 1HG2 THR 47 1HG2 THR 47 0.482 13.386 1.867 316 2HG2 THR 47 2HG2 THR 47 0.558 12.686 3.484 317 3HG2 THR 47 3HG2 THR 47 1.968 13.505 2.810 318 H CYS 48 H CYS 48 -0.774 8.795 2.146 319 HA CYS 48 HA CYS 48 1.173 6.875 0.908 320 1HB CYS 48 1HB CYS 48 0.353 5.388 2.791 321 2HB CYS 48 2HB CYS 48 1.214 6.832 3.323 322 H HIS 49 H HIS 49 -1.280 8.091 -0.313 323 HA HIS 49 HA HIS 49 -3.420 6.141 -0.345 324 1HB HIS 49 1HB HIS 49 -3.832 8.440 -0.938 325 2HB HIS 49 2HB HIS 49 -2.511 8.443 -2.100 326 HD1 HIS 49 HD1 HIS 49 -5.216 5.817 -1.816 327 HD2 HIS 49 HD2 HIS 49 -3.958 8.732 -4.469 328 HE1 HIS 49 HE1 HIS 49 -6.590 5.506 -3.863 329 H VAL 50 H VAL 50 -3.433 4.190 -1.391 330 HA VAL 50 HA VAL 50 -1.992 3.926 -3.945 331 HB VAL 50 HB VAL 50 -0.265 2.635 -3.203 332 1HG1 VAL 50 1HG1 VAL 50 -0.159 4.545 -1.631 333 2HG1 VAL 50 2HG1 VAL 50 -1.162 3.646 -0.492 334 3HG1 VAL 50 3HG1 VAL 50 0.453 3.064 -0.895 335 1HG2 VAL 50 1HG2 VAL 50 -2.382 1.417 -1.433 336 2HG2 VAL 50 2HG2 VAL 50 -1.460 0.665 -2.757 337 3HG2 VAL 50 3HG2 VAL 50 -0.665 1.009 -1.206 338 H TYR 51 H TYR 51 -2.126 1.358 -4.436 339 HA TYR 51 HA TYR 51 -4.827 0.380 -3.671 340 1HB TYR 51 1HB TYR 51 -3.556 0.905 -6.329 341 2HB TYR 51 2HB TYR 51 -4.999 -0.065 -6.146 342 HD1 TYR 51 HD1 TYR 51 -7.027 0.921 -5.038 343 HD2 TYR 51 HD2 TYR 51 -3.637 3.305 -6.148 344 HE1 TYR 51 HE1 TYR 51 -8.389 2.964 -4.914 345 HE2 TYR 51 HE2 TYR 51 -5.034 5.329 -6.076 346 HH TYR 51 HH TYR 51 -7.051 6.143 -5.846 347 H VAL 52 H VAL 52 -4.328 -1.621 -2.786 348 HA VAL 52 HA VAL 52 -1.991 -3.130 -3.654 349 HB VAL 52 HB VAL 52 -4.251 -3.970 -1.815 350 1HG1 VAL 52 1HG1 VAL 52 -2.097 -5.369 -2.578 351 2HG1 VAL 52 2HG1 VAL 52 -1.419 -4.524 -1.187 352 3HG1 VAL 52 3HG1 VAL 52 -2.847 -5.544 -0.987 353 1HG2 VAL 52 1HG2 VAL 52 -3.123 -1.583 -1.390 354 2HG2 VAL 52 2HG2 VAL 52 -3.541 -2.674 -0.068 355 3HG2 VAL 52 3HG2 VAL 52 -1.876 -2.592 -0.645 356 H ASN 53 H ASN 53 -2.111 -4.791 -5.227 357 HA ASN 53 HA ASN 53 -4.229 -5.302 -6.924 358 1HB ASN 53 1HB ASN 53 -3.305 -7.761 -6.762 359 2HB ASN 53 2HB ASN 53 -2.271 -6.491 -7.407 360 1HD2 ASN 53 2HD2 ASN 53 -2.983 -6.492 -3.987 361 2HD2 ASN 53 1HD2 ASN 53 -1.475 -7.050 -3.531 362 H GLU 54 H GLU 54 -5.967 -6.954 -6.881 363 HA GLU 54 HA GLU 54 -7.334 -7.095 -4.332 364 1HB GLU 54 1HB GLU 54 -8.815 -8.692 -5.739 365 2HB GLU 54 2HB GLU 54 -8.679 -7.019 -6.278 366 1HG GLU 54 1HG GLU 54 -7.480 -7.573 -8.140 367 2HG GLU 54 2HG GLU 54 -6.630 -8.890 -7.328 368 H ALA 55 H ALA 55 -4.665 -8.791 -5.378 369 HA ALA 55 HA ALA 55 -5.509 -11.361 -4.141 370 1HB ALA 55 1HB ALA 55 -3.785 -10.516 -6.276 371 2HB ALA 55 2HB ALA 55 -2.800 -11.365 -5.081 372 3HB ALA 55 3HB ALA 55 -4.198 -12.164 -5.802 373 H PHE 56 H PHE 56 -4.344 -8.532 -2.980 374 HA PHE 56 HA PHE 56 -2.951 -9.942 -0.751 375 1HB PHE 56 1HB PHE 56 -1.943 -7.495 -2.194 376 2HB PHE 56 2HB PHE 56 -1.209 -8.181 -0.765 377 HD1 PHE 56 HD1 PHE 56 -2.137 -9.017 -4.329 378 HD2 PHE 56 HD2 PHE 56 0.319 -9.976 -0.892 379 HE1 PHE 56 HE1 PHE 56 -0.899 -10.698 -5.655 380 HE2 PHE 56 HE2 PHE 56 1.455 -11.705 -2.194 381 HZ PHE 56 HZ PHE 56 0.885 -12.051 -4.601 382 H THR 57 H THR 57 -5.437 -8.069 -1.644 383 HA THR 57 HA THR 57 -5.232 -6.108 0.582 384 HB THR 57 HB THR 57 -7.302 -5.247 -0.383 385 HG1 THR 57 HG1 THR 57 -7.425 -7.351 -2.220 386 1HG2 THR 57 1HG2 THR 57 -4.984 -5.809 -2.016 387 2HG2 THR 57 2HG2 THR 57 -6.443 -5.758 -3.008 388 3HG2 THR 57 3HG2 THR 57 -6.016 -4.380 -1.998 389 H ASP 58 H ASP 58 -6.986 -9.001 -0.447 390 HA ASP 58 HA ASP 58 -8.478 -9.155 2.093 391 1HB ASP 58 1HB ASP 58 -10.033 -9.889 0.603 392 2HB ASP 58 2HB ASP 58 -8.829 -9.840 -0.683 393 H LYS 59 H LYS 59 -5.564 -10.126 0.953 394 HA LYS 59 HA LYS 59 -5.466 -12.766 2.327 395 1HB LYS 59 1HB LYS 59 -3.278 -11.304 0.901 396 2HB LYS 59 2HB LYS 59 -3.554 -13.048 0.998 397 1HG LYS 59 1HG LYS 59 -5.874 -12.085 -0.214 398 2HG LYS 59 2HG LYS 59 -4.600 -11.111 -0.951 399 1HD LYS 59 1HD LYS 59 -4.996 -13.196 -2.227 400 2HD LYS 59 2HD LYS 59 -3.377 -13.192 -1.531 401 1HE LYS 59 1HE LYS 59 -3.856 -15.148 -0.496 402 2HE LYS 59 2HE LYS 59 -5.138 -14.324 0.416 403 1HZ LYS 59 1HZ LYS 59 -6.504 -14.519 -1.678 404 2HZ LYS 59 2HZ LYS 59 -5.335 -15.609 -2.249 405 3HZ LYS 59 3HZ LYS 59 -6.222 -15.974 -0.846 406 H VAL 60 H VAL 60 -3.899 -9.672 2.075 407 HA VAL 60 HA VAL 60 -2.390 -9.906 4.558 408 HB VAL 60 HB VAL 60 -2.539 -8.489 2.067 409 1HG1 VAL 60 1HG1 VAL 60 -3.027 -6.750 4.287 410 2HG1 VAL 60 2HG1 VAL 60 -1.491 -6.369 3.520 411 3HG1 VAL 60 3HG1 VAL 60 -2.981 -6.387 2.566 412 1HG2 VAL 60 1HG2 VAL 60 -0.594 -9.336 3.993 413 2HG2 VAL 60 2HG2 VAL 60 -0.535 -9.302 2.226 414 3HG2 VAL 60 3HG2 VAL 60 -0.154 -7.844 3.155 415 HA PRO 61 HA PRO 61 -5.561 -8.147 6.993 416 1HB PRO 61 1HB PRO 61 -4.444 -6.145 8.490 417 2HB PRO 61 2HB PRO 61 -4.156 -7.874 8.764 418 1HG PRO 61 1HG PRO 61 -2.419 -5.847 7.529 419 2HG PRO 61 2HG PRO 61 -2.000 -7.325 8.404 420 1HD PRO 61 1HD PRO 61 -1.940 -6.969 5.634 421 2HD PRO 61 2HD PRO 61 -1.859 -8.519 6.465 422 H ALA 62 H ALA 62 -7.138 -7.244 6.020 423 HA ALA 62 HA ALA 62 -7.139 -4.806 4.490 424 1HB ALA 62 1HB ALA 62 -8.733 -7.138 5.013 425 2HB ALA 62 2HB ALA 62 -9.739 -5.698 5.196 426 3HB ALA 62 3HB ALA 62 -8.881 -5.989 3.682 427 H ALA 63 H ALA 63 -6.276 -3.588 6.359 428 HA ALA 63 HA ALA 63 -7.247 -3.002 8.835 429 1HB ALA 63 1HB ALA 63 -6.308 -1.282 6.564 430 2HB ALA 63 2HB ALA 63 -6.826 -0.507 8.062 431 3HB ALA 63 3HB ALA 63 -5.494 -1.662 8.081 432 H ASN 64 H ASN 64 -8.835 -1.436 9.679 433 HA ASN 64 HA ASN 64 -11.364 -1.530 8.122 434 1HB ASN 64 1HB ASN 64 -12.227 -0.762 10.465 435 2HB ASN 64 2HB ASN 64 -11.617 -2.399 10.281 436 1HD2 ASN 64 2HD2 ASN 64 -9.578 0.551 10.496 437 2HD2 ASN 64 1HD2 ASN 64 -8.843 0.115 11.958 438 H GLU 65 H GLU 65 -12.715 0.577 9.375 439 HA GLU 65 HA GLU 65 -12.742 2.717 7.802 440 1HB GLU 65 1HB GLU 65 -14.117 3.308 9.483 441 2HB GLU 65 2HB GLU 65 -13.336 2.139 10.541 442 1HG GLU 65 1HG GLU 65 -11.587 3.861 11.063 443 2HG GLU 65 2HG GLU 65 -12.504 5.025 10.105 444 H ARG 66 H ARG 66 -10.134 2.319 10.239 445 HA ARG 66 HA ARG 66 -8.883 4.834 9.953 446 1HB ARG 66 1HB ARG 66 -8.297 2.188 10.931 447 2HB ARG 66 2HB ARG 66 -6.891 2.793 10.055 448 1HG ARG 66 1HG ARG 66 -6.999 4.893 11.388 449 2HG ARG 66 2HG ARG 66 -8.344 4.215 12.305 450 1HD ARG 66 1HD ARG 66 -6.326 2.235 12.352 451 2HD ARG 66 2HD ARG 66 -5.513 3.777 12.691 452 HE ARG 66 HE ARG 66 -7.297 4.167 14.438 453 1HH1 ARG 66 1HH1 ARG 66 -8.583 1.505 13.220 454 2HH1 ARG 66 2HH1 ARG 66 -8.384 0.471 14.595 455 1HH2 ARG 66 1HH2 ARG 66 -6.208 2.622 16.230 456 2HH2 ARG 66 2HH2 ARG 66 -7.040 1.104 16.299 457 H GLU 67 H GLU 67 -7.806 1.879 8.281 458 HA GLU 67 HA GLU 67 -6.294 3.132 6.245 459 1HB GLU 67 1HB GLU 67 -6.138 0.784 6.889 460 2HB GLU 67 2HB GLU 67 -7.805 0.512 6.378 461 1HG GLU 67 1HG GLU 67 -7.066 0.065 4.313 462 2HG GLU 67 2HG GLU 67 -6.473 1.721 4.195 463 H ILE 68 H ILE 68 -9.730 2.280 6.429 464 HA ILE 68 HA ILE 68 -10.283 2.948 3.645 465 HB ILE 68 HB ILE 68 -11.806 2.234 6.134 466 1HG1 ILE 68 1HG1 ILE 68 -12.643 0.474 4.465 467 2HG1 ILE 68 2HG1 ILE 68 -11.407 1.091 3.363 468 1HG2 ILE 68 1HG2 ILE 68 -13.029 3.195 3.526 469 2HG2 ILE 68 2HG2 ILE 68 -13.921 2.417 4.832 470 3HG2 ILE 68 3HG2 ILE 68 -13.170 3.990 5.094 471 1HD1 ILE 68 1HD1 ILE 68 -10.637 0.370 6.174 472 2HD1 ILE 68 2HD1 ILE 68 -10.839 -0.913 4.981 473 3HD1 ILE 68 3HD1 ILE 68 -9.652 0.362 4.711 474 H GLY 69 H GLY 69 -9.709 4.812 6.430 475 1HA GLY 69 1HA GLY 69 -11.541 7.000 5.713 476 2HA GLY 69 2HA GLY 69 -10.371 7.028 7.030 477 H MET 70 H MET 70 -8.057 7.353 6.422 478 HA MET 70 HA MET 70 -7.533 9.540 4.791 479 1HB MET 70 1HB MET 70 -5.209 8.377 4.562 480 2HB MET 70 2HB MET 70 -5.798 8.730 6.185 481 1HG MET 70 1HG MET 70 -6.804 6.167 5.339 482 2HG MET 70 2HG MET 70 -5.056 6.209 5.134 483 1HE MET 70 1HE MET 70 -5.025 4.440 6.335 484 2HE MET 70 2HE MET 70 -4.186 4.637 7.884 485 3HE MET 70 3HE MET 70 -5.873 4.099 7.848 486 H LEU 71 H LEU 71 -7.828 6.147 3.846 487 HA LEU 71 HA LEU 71 -7.078 6.396 1.070 488 1HB LEU 71 1HB LEU 71 -7.299 4.320 2.482 489 2HB LEU 71 2HB LEU 71 -9.031 4.572 2.458 490 HG LEU 71 HG LEU 71 -7.734 3.020 0.675 491 1HD1 LEU 71 1HD1 LEU 71 -10.311 4.520 0.696 492 2HD1 LEU 71 2HD1 LEU 71 -9.858 3.695 -0.797 493 3HD1 LEU 71 3HD1 LEU 71 -10.028 2.777 0.706 494 1HD2 LEU 71 1HD2 LEU 71 -8.048 5.746 -0.559 495 2HD2 LEU 71 2HD2 LEU 71 -6.558 4.826 -0.419 496 3HD2 LEU 71 3HD2 LEU 71 -7.836 4.273 -1.518 497 H GLU 72 H GLU 72 -10.208 6.439 2.784 498 HA GLU 72 HA GLU 72 -11.856 7.044 0.521 499 1HB GLU 72 1HB GLU 72 -13.023 6.352 2.417 500 2HB GLU 72 2HB GLU 72 -11.944 7.214 3.511 501 1HG GLU 72 1HG GLU 72 -14.106 8.303 3.549 502 2HG GLU 72 2HG GLU 72 -12.956 9.366 2.737 503 H CYS 73 H CYS 73 -9.537 8.873 2.286 504 HA CYS 73 HA CYS 73 -10.644 11.525 1.659 505 1HB CYS 73 1HB CYS 73 -8.751 10.312 3.428 506 2HB CYS 73 2HB CYS 73 -7.909 11.554 2.500 507 HG CYS 73 HG CYS 73 -10.566 12.242 3.998 508 H VAL 74 H VAL 74 -7.940 9.466 0.549 509 HA VAL 74 HA VAL 74 -6.476 11.078 -1.136 510 HB VAL 74 HB VAL 74 -6.119 9.096 -2.473 511 1HG1 VAL 74 1HG1 VAL 74 -5.517 9.134 0.061 512 2HG1 VAL 74 2HG1 VAL 74 -6.864 8.012 0.240 513 3HG1 VAL 74 3HG1 VAL 74 -5.490 7.582 -0.775 514 1HG2 VAL 74 1HG2 VAL 74 -8.910 8.726 -1.746 515 2HG2 VAL 74 2HG2 VAL 74 -8.018 8.077 -3.126 516 3HG2 VAL 74 3HG2 VAL 74 -7.964 7.239 -1.574 517 H THR 75 H THR 75 -6.711 11.514 -3.512 518 HA THR 75 HA THR 75 -9.571 11.897 -4.306 519 HB THR 75 HB THR 75 -7.049 13.533 -4.723 520 HG1 THR 75 HG1 THR 75 -7.871 14.741 -3.213 521 1HG2 THR 75 1HG2 THR 75 -9.713 13.611 -6.075 522 2HG2 THR 75 2HG2 THR 75 -8.867 15.128 -5.765 523 3HG2 THR 75 3HG2 THR 75 -8.105 13.876 -6.746 524 H ALA 76 H ALA 76 -7.690 9.585 -4.831 525 HA ALA 76 HA ALA 76 -7.374 9.948 -7.782 526 1HB ALA 76 1HB ALA 76 -5.687 9.064 -5.663 527 2HB ALA 76 2HB ALA 76 -5.957 7.694 -6.742 528 3HB ALA 76 3HB ALA 76 -5.298 9.204 -7.379 529 H GLU 77 H GLU 77 -7.056 7.474 -8.566 530 HA GLU 77 HA GLU 77 -9.567 6.435 -9.136 531 1HB GLU 77 1HB GLU 77 -8.093 5.623 -10.592 532 2HB GLU 77 2HB GLU 77 -6.774 5.980 -9.502 533 1HG GLU 77 1HG GLU 77 -6.924 3.799 -8.496 534 2HG GLU 77 2HG GLU 77 -8.462 3.478 -9.303 535 H LEU 78 H LEU 78 -10.210 6.522 -6.545 536 HA LEU 78 HA LEU 78 -9.185 4.444 -4.918 537 1HB LEU 78 1HB LEU 78 -10.834 6.430 -4.341 538 2HB LEU 78 2HB LEU 78 -12.032 5.125 -4.498 539 HG LEU 78 HG LEU 78 -9.897 3.923 -3.250 540 1HD1 LEU 78 1HD1 LEU 78 -9.973 6.736 -2.457 541 2HD1 LEU 78 2HD1 LEU 78 -9.787 5.533 -1.177 542 3HD1 LEU 78 3HD1 LEU 78 -8.635 5.577 -2.511 543 1HD2 LEU 78 1HD2 LEU 78 -12.595 4.310 -2.743 544 2HD2 LEU 78 2HD2 LEU 78 -11.485 3.190 -1.940 545 3HD2 LEU 78 3HD2 LEU 78 -11.756 4.811 -1.268 546 H LYS 79 H LYS 79 -9.981 2.492 -4.287 547 HA LYS 79 HA LYS 79 -11.432 0.973 -6.414 548 1HB LYS 79 1HB LYS 79 -8.830 0.998 -5.129 549 2HB LYS 79 2HB LYS 79 -9.585 -0.587 -4.983 550 1HG LYS 79 1HG LYS 79 -8.164 -0.339 -7.034 551 2HG LYS 79 2HG LYS 79 -9.835 -0.738 -7.387 552 1HD LYS 79 1HD LYS 79 -9.308 2.142 -7.205 553 2HD LYS 79 2HD LYS 79 -8.464 1.342 -8.527 554 1HE LYS 79 1HE LYS 79 -11.293 0.538 -8.213 555 2HE LYS 79 2HE LYS 79 -11.040 2.223 -8.707 556 1HZ LYS 79 1HZ LYS 79 -9.633 -0.083 -9.938 557 2HZ LYS 79 2HZ LYS 79 -11.045 0.603 -10.587 558 3HZ LYS 79 3HZ LYS 79 -9.629 1.529 -10.474 559 HA PRO 80 HA PRO 80 -13.558 -1.100 -3.086 560 1HB PRO 80 1HB PRO 80 -13.346 -3.733 -3.791 561 2HB PRO 80 2HB PRO 80 -14.399 -2.603 -4.666 562 1HG PRO 80 1HG PRO 80 -11.751 -3.698 -5.416 563 2HG PRO 80 2HG PRO 80 -13.118 -3.242 -6.441 564 1HD PRO 80 1HD PRO 80 -10.830 -1.725 -6.057 565 2HD PRO 80 2HD PRO 80 -12.382 -1.108 -6.662 566 H ASN 81 H ASN 81 -10.377 -2.133 -4.044 567 HA ASN 81 HA ASN 81 -9.773 -3.206 -1.322 568 1HB ASN 81 1HB ASN 81 -8.343 -4.669 -2.407 569 2HB ASN 81 2HB ASN 81 -9.459 -4.360 -3.735 570 1HD2 ASN 81 2HD2 ASN 81 -8.497 -3.579 -5.640 571 2HD2 ASN 81 1HD2 ASN 81 -6.947 -2.917 -5.745 572 H SER 82 H SER 82 -9.740 -0.264 -2.552 573 HA SER 82 HA SER 82 -7.203 0.840 -2.806 574 1HB SER 82 1HB SER 82 -9.790 1.631 -1.615 575 2HB SER 82 2HB SER 82 -8.392 2.599 -1.168 576 HG SER 82 HG SER 82 -8.215 3.288 -3.103 577 H ARG 83 H ARG 83 -5.546 1.454 -1.302 578 HA ARG 83 HA ARG 83 -5.954 0.643 1.531 579 1HB ARG 83 1HB ARG 83 -4.580 -0.885 -0.557 580 2HB ARG 83 2HB ARG 83 -3.603 -0.655 0.893 581 1HG ARG 83 1HG ARG 83 -6.440 -1.728 0.860 582 2HG ARG 83 2HG ARG 83 -4.991 -2.718 1.018 583 1HD ARG 83 1HD ARG 83 -4.393 -1.300 3.055 584 2HD ARG 83 2HD ARG 83 -6.050 -0.670 2.968 585 HE ARG 83 HE ARG 83 -6.876 -2.957 3.266 586 1HH1 ARG 83 1HH2 ARG 83 -4.232 -2.187 5.032 587 2HH1 ARG 83 2HH2 ARG 83 -3.640 -3.800 5.246 588 1HH2 ARG 83 1HH1 ARG 83 -5.787 -5.185 2.904 589 2HH2 ARG 83 2HH1 ARG 83 -4.515 -5.495 4.038 590 H LEU 84 H LEU 84 -4.551 1.561 2.920 591 HA LEU 84 HA LEU 84 -2.653 3.604 1.874 592 1HB LEU 84 1HB LEU 84 -4.206 3.172 4.443 593 2HB LEU 84 2HB LEU 84 -2.894 4.343 4.351 594 HG LEU 84 HG LEU 84 -5.472 4.972 3.811 595 1HD1 LEU 84 1HD1 LEU 84 -3.034 6.090 2.401 596 2HD1 LEU 84 2HD1 LEU 84 -4.576 6.924 2.597 597 3HD1 LEU 84 3HD1 LEU 84 -3.594 6.541 4.012 598 1HD2 LEU 84 1HD2 LEU 84 -4.232 4.262 1.130 599 2HD2 LEU 84 2HD2 LEU 84 -5.627 3.472 1.863 600 3HD2 LEU 84 3HD2 LEU 84 -5.734 5.155 1.351 601 H CYS 85 H CYS 85 -1.019 2.064 1.453 602 HA CYS 85 HA CYS 85 0.136 -0.044 2.395 603 1HB CYS 85 1HB CYS 85 1.109 1.922 1.048 604 2HB CYS 85 2HB CYS 85 1.779 2.467 2.583 605 HG CYS 85 HG CYS 85 2.480 -0.281 1.274 606 H CYS 86 H CYS 86 0.309 2.880 4.496 607 HA CYS 86 HA CYS 86 1.846 1.940 6.585 608 1HB CYS 86 1HB CYS 86 0.122 3.275 8.039 609 2HB CYS 86 2HB CYS 86 1.049 4.120 6.810 610 H GLN 87 H GLN 87 -1.266 0.575 5.688 611 HA GLN 87 HA GLN 87 -1.214 -0.958 8.266 612 1HB GLN 87 1HB GLN 87 -3.426 0.080 6.514 613 2HB GLN 87 2HB GLN 87 -3.724 -1.216 7.671 614 1HG GLN 87 1HG GLN 87 -4.154 0.575 9.052 615 2HG GLN 87 2HG GLN 87 -2.407 0.480 9.286 616 1HE2 GLN 87 2HE2 GLN 87 -4.308 1.723 6.501 617 2HE2 GLN 87 1HE2 GLN 87 -3.608 3.264 6.514 618 H ILE 88 H ILE 88 -0.692 -1.322 4.951 619 HA ILE 88 HA ILE 88 -1.880 -3.993 4.686 620 HB ILE 88 HB ILE 88 -0.183 -2.135 3.030 621 1HG1 ILE 88 1HG1 ILE 88 -2.725 -2.128 3.122 622 2HG1 ILE 88 2HG1 ILE 88 -2.022 -2.289 1.513 623 1HG2 ILE 88 1HG2 ILE 88 -0.188 -5.084 2.877 624 2HG2 ILE 88 2HG2 ILE 88 -0.534 -4.263 1.355 625 3HG2 ILE 88 3HG2 ILE 88 0.964 -3.923 2.218 626 1HD1 ILE 88 1HD1 ILE 88 -2.986 -4.589 3.234 627 2HD1 ILE 88 2HD1 ILE 88 -3.865 -3.908 1.867 628 3HD1 ILE 88 3HD1 ILE 88 -2.324 -4.724 1.604 629 H ILE 89 H ILE 89 -0.920 -5.379 6.264 630 HA ILE 89 HA ILE 89 2.001 -5.403 6.633 631 HB ILE 89 HB ILE 89 -0.392 -6.697 7.857 632 1HG1 ILE 89 1HG1 ILE 89 0.347 -5.682 9.810 633 2HG1 ILE 89 2HG1 ILE 89 2.041 -5.775 9.334 634 1HG2 ILE 89 1HG2 ILE 89 2.231 -8.019 7.557 635 2HG2 ILE 89 2HG2 ILE 89 1.628 -7.950 9.213 636 3HG2 ILE 89 3HG2 ILE 89 0.660 -8.714 7.954 637 1HD1 ILE 89 1HD1 ILE 89 0.034 -3.981 7.946 638 2HD1 ILE 89 2HD1 ILE 89 1.045 -3.441 9.289 639 3HD1 ILE 89 3HD1 ILE 89 1.789 -3.967 7.779 640 H MET 90 H MET 90 3.355 -6.731 5.564 641 HA MET 90 HA MET 90 2.274 -8.442 3.460 642 1HB MET 90 1HB MET 90 4.410 -6.854 3.666 643 2HB MET 90 2HB MET 90 5.153 -8.363 4.192 644 1HG MET 90 1HG MET 90 3.911 -7.690 1.542 645 2HG MET 90 2HG MET 90 5.452 -8.473 1.876 646 1HE MET 90 1HE MET 90 2.483 -8.474 0.611 647 2HE MET 90 2HE MET 90 2.358 -10.124 0.013 648 3HE MET 90 3HE MET 90 1.343 -9.596 1.374 649 H THR 91 H THR 91 1.857 -10.629 3.736 650 HA THR 91 HA THR 91 3.176 -11.940 6.103 651 HB THR 91 HB THR 91 1.313 -13.183 6.348 652 HG1 THR 91 HG1 THR 91 0.604 -14.455 4.776 653 1HG2 THR 91 1HG2 THR 91 0.534 -10.765 5.207 654 2HG2 THR 91 2HG2 THR 91 -0.368 -11.993 4.324 655 3HG2 THR 91 3HG2 THR 91 -0.492 -11.900 6.073 656 HA PRO 92 HA PRO 92 5.445 -14.553 3.464 657 1HB PRO 92 1HB PRO 92 5.231 -16.960 4.729 658 2HB PRO 92 2HB PRO 92 6.120 -15.606 5.425 659 1HG PRO 92 1HG PRO 92 3.576 -16.783 6.235 660 2HG PRO 92 2HG PRO 92 4.665 -15.722 7.137 661 1HD PRO 92 1HD PRO 92 2.228 -15.034 5.759 662 2HD PRO 92 2HD PRO 92 3.287 -13.988 6.731 663 H GLU 93 H GLU 93 2.111 -15.210 3.911 664 HA GLU 93 HA GLU 93 1.907 -17.399 1.961 665 1HB GLU 93 1HB GLU 93 -0.209 -17.522 2.863 666 2HB GLU 93 2HB GLU 93 0.522 -16.529 4.118 667 1HG GLU 93 1HG GLU 93 -0.285 -14.519 3.125 668 2HG GLU 93 2HG GLU 93 -0.840 -15.387 1.695 669 H LEU 94 H LEU 94 1.599 -13.983 2.215 670 HA LEU 94 HA LEU 94 0.583 -13.607 -0.512 671 1HB LEU 94 1HB LEU 94 1.250 -11.871 1.870 672 2HB LEU 94 2HB LEU 94 0.771 -11.174 0.337 673 HG LEU 94 HG LEU 94 -0.807 -13.384 1.608 674 1HD1 LEU 94 1HD1 LEU 94 -0.506 -11.006 2.864 675 2HD1 LEU 94 2HD1 LEU 94 -1.800 -10.592 1.744 676 3HD1 LEU 94 3HD1 LEU 94 -2.012 -11.920 2.888 677 1HD2 LEU 94 1HD2 LEU 94 -0.705 -12.364 -0.872 678 2HD2 LEU 94 2HD2 LEU 94 -2.184 -13.016 -0.150 679 3HD2 LEU 94 3HD2 LEU 94 -1.883 -11.281 -0.141 680 H ASP 95 H ASP 95 3.273 -14.799 -0.233 681 HA ASP 95 HA ASP 95 5.254 -12.805 -0.664 682 1HB ASP 95 1HB ASP 95 6.522 -14.739 -1.641 683 2HB ASP 95 2HB ASP 95 5.745 -15.154 -0.112 684 H GLY 96 H GLY 96 4.917 -11.257 -2.294 685 1HA GLY 96 1HA GLY 96 5.303 -11.056 -4.795 686 2HA GLY 96 2HA GLY 96 4.065 -12.297 -4.975 687 H ILE 97 H ILE 97 3.665 -9.793 -2.567 688 HA ILE 97 HA ILE 97 1.118 -8.991 -3.456 689 HB ILE 97 HB ILE 97 1.601 -8.538 -1.198 690 1HG1 ILE 97 1HG1 ILE 97 1.476 -6.210 -0.861 691 2HG1 ILE 97 2HG1 ILE 97 2.422 -5.858 -2.312 692 1HG2 ILE 97 1HG2 ILE 97 4.253 -8.081 -2.272 693 2HG2 ILE 97 2HG2 ILE 97 3.850 -6.954 -0.984 694 3HG2 ILE 97 3HG2 ILE 97 3.775 -8.700 -0.700 695 1HD1 ILE 97 1HD1 ILE 97 0.185 -7.444 -3.033 696 2HD1 ILE 97 2HD1 ILE 97 -0.390 -6.083 -2.073 697 3HD1 ILE 97 3HD1 ILE 97 0.561 -5.793 -3.530 698 H VAL 98 H VAL 98 0.424 -7.499 -4.879 699 HA VAL 98 HA VAL 98 2.505 -5.897 -6.328 700 HB VAL 98 HB VAL 98 -0.236 -6.641 -7.358 701 1HG1 VAL 98 1HG1 VAL 98 2.042 -5.289 -8.372 702 2HG1 VAL 98 2HG1 VAL 98 1.922 -6.816 -9.246 703 3HG1 VAL 98 3HG1 VAL 98 0.557 -5.699 -9.230 704 1HG2 VAL 98 1HG2 VAL 98 2.143 -8.439 -6.989 705 2HG2 VAL 98 2HG2 VAL 98 0.427 -8.842 -6.891 706 3HG2 VAL 98 3HG2 VAL 98 1.196 -8.610 -8.464 707 H VAL 99 H VAL 99 2.340 -3.790 -5.505 708 HA VAL 99 HA VAL 99 -0.369 -2.872 -4.636 709 HB VAL 99 HB VAL 99 1.987 -1.107 -4.277 710 1HG1 VAL 99 1HG1 VAL 99 -0.505 -2.016 -2.984 711 2HG1 VAL 99 2HG1 VAL 99 0.821 -1.706 -1.855 712 3HG1 VAL 99 3HG1 VAL 99 0.270 -0.425 -2.937 713 1HG2 VAL 99 1HG2 VAL 99 1.851 -3.853 -2.979 714 2HG2 VAL 99 2HG2 VAL 99 3.171 -3.205 -3.955 715 3HG2 VAL 99 3HG2 VAL 99 2.831 -2.518 -2.366 716 H ASP 100 H ASP 100 -1.126 -0.787 -5.341 717 HA ASP 100 HA ASP 100 -0.011 0.010 -8.004 718 1HB ASP 100 1HB ASP 100 -2.608 -0.889 -7.094 719 2HB ASP 100 2HB ASP 100 -2.717 0.664 -7.922 720 H VAL 101 H VAL 101 0.644 2.054 -8.071 721 HA VAL 101 HA VAL 101 -0.253 3.889 -5.909 722 HB VAL 101 HB VAL 101 2.085 3.809 -7.823 723 1HG1 VAL 101 1HG1 VAL 101 1.283 6.140 -7.403 724 2HG1 VAL 101 2HG1 VAL 101 1.524 5.865 -5.678 725 3HG1 VAL 101 3HG1 VAL 101 2.902 5.832 -6.778 726 1HG2 VAL 101 1HG2 VAL 101 2.036 2.276 -5.820 727 2HG2 VAL 101 2HG2 VAL 101 3.389 3.409 -5.827 728 3HG2 VAL 101 3HG2 VAL 101 1.989 3.714 -4.797 729 HA PRO 102 HA PRO 102 -2.624 5.921 -9.074 730 1HB PRO 102 1HB PRO 102 -3.749 7.771 -7.427 731 2HB PRO 102 2HB PRO 102 -4.223 6.066 -7.422 732 1HG PRO 102 1HG PRO 102 -2.578 7.553 -5.486 733 2HG PRO 102 2HG PRO 102 -3.632 6.157 -5.242 734 1HD PRO 102 1HD PRO 102 -0.843 6.113 -5.445 735 2HD PRO 102 2HD PRO 102 -1.934 4.720 -5.514 736 H ASP 103 H ASP 103 -3.005 8.279 -9.742 737 HA ASP 103 HA ASP 103 -0.416 9.720 -9.789 738 1HB ASP 103 1HB ASP 103 -3.022 10.421 -11.163 739 2HB ASP 103 2HB ASP 103 -1.385 10.840 -11.668 740 H ARG 104 H ARG 104 -3.489 9.812 -8.210 741 HA ARG 104 HA ARG 104 -3.009 12.612 -7.266 742 1HB ARG 104 1HB ARG 104 -5.569 11.054 -6.910 743 2HB ARG 104 2HB ARG 104 -5.354 12.796 -7.038 744 1HG ARG 104 1HG ARG 104 -4.476 11.409 -9.460 745 2HG ARG 104 2HG ARG 104 -6.167 11.092 -9.082 746 1HD ARG 104 1HD ARG 104 -5.830 13.145 -10.504 747 2HD ARG 104 2HD ARG 104 -6.622 13.500 -8.954 748 HE ARG 104 HE ARG 104 -3.813 13.623 -8.554 749 1HH1 ARG 104 1HH1 ARG 104 -5.966 15.746 -7.948 750 2HH1 ARG 104 2HH1 ARG 104 -5.372 17.076 -8.886 751 1HH2 ARG 104 1HH2 ARG 104 -3.193 15.129 -10.755 752 2HH2 ARG 104 2HH2 ARG 104 -3.803 16.726 -10.475 753 H GLN 105 H GLN 105 -1.355 11.423 -5.853 754 HA GLN 105 HA GLN 105 -2.615 9.779 -3.748 755 1HB GLN 105 1HB GLN 105 0.306 10.488 -4.142 756 2HB GLN 105 2HB GLN 105 -0.356 9.101 -3.279 757 1HG GLN 105 1HG GLN 105 -0.401 7.895 -5.173 758 2HG GLN 105 2HG GLN 105 -1.381 9.124 -5.971 759 1HE2 GLN 105 2HE2 GLN 105 -0.253 10.788 -7.224 760 2HE2 GLN 105 1HE2 GLN 105 1.373 10.602 -7.669 761 H TRP 106 H TRP 106 -3.514 12.311 -3.405 762 HA TRP 106 HA TRP 106 -1.774 14.064 -1.881 763 1HB TRP 106 1HB TRP 106 -3.636 15.449 -1.898 764 2HB TRP 106 2HB TRP 106 -4.057 14.387 -3.243 765 HD1 TRP 106 HD1 TRP 106 -6.303 13.126 -3.006 766 HE1 TRP 106 HE1 TRP 106 -7.962 12.699 -1.059 767 HE3 TRP 106 HE3 TRP 106 -3.644 15.172 0.772 768 HZ2 TRP 106 HZ2 TRP 106 -8.115 13.240 1.773 769 HZ3 TRP 106 HZ3 TRP 106 -4.532 15.238 3.073 770 HH2 TRP 106 HH2 TRP 106 -6.765 14.270 3.592 Start of MODEL 11 1 3H SER 1 3H SER 1 7.551 -12.548 3.429 2 1H SER 1 1H SER 1 8.676 -11.640 2.535 3 2H SER 1 2H SER 1 7.355 -10.858 3.285 4 HA SER 1 HA SER 1 6.875 -12.964 1.242 5 1HB SER 1 1HB SER 1 4.740 -12.226 1.548 6 2HB SER 1 2HB SER 1 5.359 -11.489 3.024 7 HG SER 1 HG SER 1 4.432 -10.315 0.806 8 H LYS 2 H LYS 2 6.691 -12.233 -1.012 9 HA LYS 2 HA LYS 2 8.691 -10.303 -1.817 10 1HB LYS 2 1HB LYS 2 6.586 -12.024 -3.107 11 2HB LYS 2 2HB LYS 2 7.382 -10.785 -4.049 12 1HG LYS 2 1HG LYS 2 8.317 -13.216 -3.968 13 2HG LYS 2 2HG LYS 2 9.427 -11.841 -3.971 14 1HD LYS 2 1HD LYS 2 9.807 -12.021 -1.613 15 2HD LYS 2 2HD LYS 2 8.439 -13.131 -1.406 16 1HE LYS 2 1HE LYS 2 10.244 -14.209 -3.404 17 2HE LYS 2 2HE LYS 2 11.137 -13.850 -1.914 18 1HZ LYS 2 1HZ LYS 2 9.114 -14.862 -0.748 19 2HZ LYS 2 2HZ LYS 2 8.751 -15.549 -2.268 20 3HZ LYS 2 3HZ LYS 2 10.224 -15.920 -1.501 21 H VAL 3 H VAL 3 8.290 -8.225 -2.569 22 HA VAL 3 HA VAL 3 5.526 -7.234 -2.533 23 HB VAL 3 HB VAL 3 7.958 -6.182 -1.116 24 1HG1 VAL 3 1HG1 VAL 3 6.500 -4.388 -2.307 25 2HG1 VAL 3 2HG1 VAL 3 5.195 -4.907 -1.187 26 3HG1 VAL 3 3HG1 VAL 3 6.699 -4.221 -0.546 27 1HG2 VAL 3 1HG2 VAL 3 5.505 -7.703 -0.534 28 2HG2 VAL 3 2HG2 VAL 3 7.057 -7.699 0.285 29 3HG2 VAL 3 3HG2 VAL 3 5.898 -6.434 0.630 30 H VAL 4 H VAL 4 5.110 -6.083 -4.260 31 HA VAL 4 HA VAL 4 7.316 -4.647 -5.633 32 HB VAL 4 HB VAL 4 5.348 -6.596 -6.840 33 1HG1 VAL 4 1HG1 VAL 4 7.054 -4.525 -8.049 34 2HG1 VAL 4 2HG1 VAL 4 7.246 -6.127 -8.762 35 3HG1 VAL 4 3HG1 VAL 4 5.666 -5.366 -8.721 36 1HG2 VAL 4 1HG2 VAL 4 8.346 -6.730 -6.436 37 2HG2 VAL 4 2HG2 VAL 4 7.127 -7.674 -5.571 38 3HG2 VAL 4 3HG2 VAL 4 7.398 -7.938 -7.299 39 H TYR 5 H TYR 5 6.406 -2.606 -5.059 40 HA TYR 5 HA TYR 5 3.579 -2.014 -5.339 41 1HB TYR 5 1HB TYR 5 5.923 -0.130 -5.134 42 2HB TYR 5 2HB TYR 5 4.236 0.210 -4.775 43 HD1 TYR 5 HD1 TYR 5 7.096 -2.045 -3.637 44 HD2 TYR 5 HD2 TYR 5 3.472 0.028 -2.618 45 HE1 TYR 5 HE1 TYR 5 7.471 -2.551 -1.327 46 HE2 TYR 5 HE2 TYR 5 3.890 -0.492 -0.245 47 HH TYR 5 HH TYR 5 6.524 -2.669 0.730 48 H VAL 6 H VAL 6 2.678 -0.660 -6.968 49 HA VAL 6 HA VAL 6 4.349 -0.483 -9.437 50 HB VAL 6 HB VAL 6 1.378 -0.616 -8.933 51 1HG1 VAL 6 1HG1 VAL 6 1.968 0.702 -10.933 52 2HG1 VAL 6 2HG1 VAL 6 2.970 -0.616 -11.508 53 3HG1 VAL 6 3HG1 VAL 6 1.217 -0.824 -11.398 54 1HG2 VAL 6 1HG2 VAL 6 3.399 -2.566 -10.011 55 2HG2 VAL 6 2HG2 VAL 6 2.451 -2.733 -8.509 56 3HG2 VAL 6 3HG2 VAL 6 1.649 -2.813 -10.106 57 H SER 7 H SER 7 3.803 1.431 -10.828 58 HA SER 7 HA SER 7 3.445 3.858 -9.129 59 1HB SER 7 1HB SER 7 4.709 4.946 -10.884 60 2HB SER 7 2HB SER 7 5.525 3.462 -10.446 61 HG SER 7 HG SER 7 4.432 4.227 -12.827 62 H HIS 8 H HIS 8 2.808 5.557 -11.321 63 HA HIS 8 HA HIS 8 -0.065 4.840 -11.585 64 1HB HIS 8 1HB HIS 8 0.821 7.354 -12.859 65 2HB HIS 8 2HB HIS 8 -0.366 7.104 -11.595 66 HD1 HIS 8 HD1 HIS 8 1.432 5.967 -9.368 67 HD2 HIS 8 HD2 HIS 8 2.535 9.219 -11.745 68 HE1 HIS 8 HE1 HIS 8 3.060 7.334 -7.984 69 H ASP 9 H ASP 9 2.872 5.086 -13.458 70 HA ASP 9 HA ASP 9 1.409 4.716 -16.003 71 1HB ASP 9 1HB ASP 9 3.608 5.102 -16.972 72 2HB ASP 9 2HB ASP 9 3.416 6.255 -15.637 73 H GLY 10 H GLY 10 2.632 2.821 -13.512 74 1HA GLY 10 1HA GLY 10 2.177 0.361 -13.639 75 2HA GLY 10 2HA GLY 10 2.787 0.416 -15.292 76 H THR 11 H THR 11 4.888 2.439 -13.854 77 HA THR 11 HA THR 11 6.974 0.475 -13.736 78 HB THR 11 HB THR 11 6.580 3.302 -13.661 79 HG1 THR 11 HG1 THR 11 7.834 2.048 -15.105 80 1HG2 THR 11 1HG2 THR 11 8.318 2.112 -11.526 81 2HG2 THR 11 2HG2 THR 11 8.652 3.710 -12.189 82 3HG2 THR 11 3HG2 THR 11 7.130 3.400 -11.347 83 H ARG 12 H ARG 12 7.701 -0.659 -12.038 84 HA ARG 12 HA ARG 12 6.319 -0.311 -9.411 85 1HB ARG 12 1HB ARG 12 7.432 -2.957 -10.147 86 2HB ARG 12 2HB ARG 12 5.910 -2.555 -9.334 87 1HG ARG 12 1HG ARG 12 4.932 -3.121 -11.307 88 2HG ARG 12 2HG ARG 12 5.488 -1.550 -11.895 89 1HD ARG 12 1HD ARG 12 6.485 -2.928 -13.497 90 2HD ARG 12 2HD ARG 12 7.764 -2.989 -12.271 91 HE ARG 12 HE ARG 12 5.856 -4.975 -11.604 92 1HH1 ARG 12 1HH1 ARG 12 8.883 -4.522 -12.966 93 2HH1 ARG 12 2HH1 ARG 12 8.938 -6.014 -13.862 94 1HH2 ARG 12 1HH2 ARG 12 5.576 -6.742 -13.302 95 2HH2 ARG 12 2HH2 ARG 12 7.050 -7.256 -14.052 96 H ARG 13 H ARG 13 7.495 -1.674 -7.706 97 HA ARG 13 HA ARG 13 10.442 -1.232 -7.675 98 1HB ARG 13 1HB ARG 13 9.388 -0.953 -5.053 99 2HB ARG 13 2HB ARG 13 10.037 0.358 -6.028 100 1HG ARG 13 1HG ARG 13 7.206 -0.511 -6.368 101 2HG ARG 13 2HG ARG 13 7.649 0.511 -5.011 102 1HD ARG 13 1HD ARG 13 8.391 1.198 -7.870 103 2HD ARG 13 2HD ARG 13 6.918 1.782 -7.090 104 HE ARG 13 HE ARG 13 9.156 2.170 -5.364 105 1HH1 ARG 13 1HH1 ARG 13 8.230 3.165 -8.481 106 2HH1 ARG 13 2HH1 ARG 13 8.620 4.843 -8.232 107 1HH2 ARG 13 1HH2 ARG 13 9.462 4.406 -4.876 108 2HH2 ARG 13 2HH2 ARG 13 9.336 5.533 -6.191 109 H GLU 14 H GLU 14 11.204 -2.679 -5.667 110 HA GLU 14 HA GLU 14 9.224 -4.837 -5.177 111 1HB GLU 14 1HB GLU 14 11.915 -5.187 -6.571 112 2HB GLU 14 2HB GLU 14 10.935 -6.549 -6.013 113 1HG GLU 14 1HG GLU 14 9.026 -5.314 -7.375 114 2HG GLU 14 2HG GLU 14 10.386 -4.641 -8.259 115 H LEU 15 H LEU 15 9.357 -5.060 -2.942 116 HA LEU 15 HA LEU 15 11.949 -4.712 -1.533 117 1HB LEU 15 1HB LEU 15 9.089 -4.857 -0.543 118 2HB LEU 15 2HB LEU 15 10.480 -4.225 0.345 119 HG LEU 15 HG LEU 15 8.906 -3.038 -1.871 120 1HD1 LEU 15 1HD1 LEU 15 9.165 -2.637 0.847 121 2HD1 LEU 15 2HD1 LEU 15 10.211 -1.376 0.195 122 3HD1 LEU 15 3HD1 LEU 15 8.503 -1.443 -0.264 123 1HD2 LEU 15 1HD2 LEU 15 11.844 -2.863 -1.578 124 2HD2 LEU 15 2HD2 LEU 15 10.822 -2.550 -2.985 125 3HD2 LEU 15 3HD2 LEU 15 10.999 -1.326 -1.737 126 H ASP 16 H ASP 16 10.956 -5.986 0.771 127 HA ASP 16 HA ASP 16 10.172 -8.732 0.184 128 1HB ASP 16 1HB ASP 16 12.877 -8.037 0.270 129 2HB ASP 16 2HB ASP 16 12.556 -8.684 1.889 130 H VAL 17 H VAL 17 8.454 -7.476 1.385 131 HA VAL 17 HA VAL 17 8.972 -6.824 4.235 132 HB VAL 17 HB VAL 17 6.299 -6.852 2.853 133 1HG1 VAL 17 1HG1 VAL 17 7.732 -5.618 5.042 134 2HG1 VAL 17 2HG1 VAL 17 6.874 -4.454 4.035 135 3HG1 VAL 17 3HG1 VAL 17 5.986 -5.782 4.792 136 1HG2 VAL 17 1HG2 VAL 17 8.694 -5.175 2.168 137 2HG2 VAL 17 2HG2 VAL 17 7.531 -5.861 1.083 138 3HG2 VAL 17 3HG2 VAL 17 7.095 -4.479 2.049 139 H ALA 18 H ALA 18 8.677 -8.314 5.765 140 HA ALA 18 HA ALA 18 7.624 -11.014 5.210 141 1HB ALA 18 1HB ALA 18 9.025 -9.596 7.472 142 2HB ALA 18 2HB ALA 18 8.282 -11.177 7.717 143 3HB ALA 18 3HB ALA 18 9.585 -10.990 6.528 144 H ASP 19 H ASP 19 6.486 -11.982 7.190 145 HA ASP 19 HA ASP 19 3.843 -11.022 7.452 146 1HB ASP 19 1HB ASP 19 4.139 -12.494 9.665 147 2HB ASP 19 2HB ASP 19 4.074 -13.253 8.109 148 H GLY 20 H GLY 20 3.406 -9.114 8.320 149 1HA GLY 20 1HA GLY 20 3.111 -8.025 10.527 150 2HA GLY 20 2HA GLY 20 4.749 -8.516 10.919 151 H VAL 21 H VAL 21 5.570 -7.517 8.024 152 HA VAL 21 HA VAL 21 6.001 -4.787 9.007 153 HB VAL 21 HB VAL 21 6.793 -6.217 6.473 154 1HG1 VAL 21 1HG1 VAL 21 7.395 -3.436 7.465 155 2HG1 VAL 21 2HG1 VAL 21 8.292 -4.229 6.168 156 3HG1 VAL 21 3HG1 VAL 21 6.570 -3.899 5.974 157 1HG2 VAL 21 1HG2 VAL 21 7.967 -6.914 8.602 158 2HG2 VAL 21 2HG2 VAL 21 9.008 -6.302 7.300 159 3HG2 VAL 21 3HG2 VAL 21 8.590 -5.271 8.690 160 H SER 22 H SER 22 5.147 -2.977 7.958 161 HA SER 22 HA SER 22 2.785 -3.560 6.241 162 1HB SER 22 1HB SER 22 2.993 -0.797 6.736 163 2HB SER 22 2HB SER 22 1.948 -1.929 7.577 164 HG SER 22 HG SER 22 4.250 -0.704 8.413 165 H LEU 23 H LEU 23 2.945 -3.194 4.008 166 HA LEU 23 HA LEU 23 5.301 -2.858 2.632 167 1HB LEU 23 1HB LEU 23 2.491 -1.907 2.200 168 2HB LEU 23 2HB LEU 23 3.732 -1.653 0.988 169 HG LEU 23 HG LEU 23 2.707 -4.280 2.043 170 1HD1 LEU 23 1HD1 LEU 23 1.862 -2.785 -0.063 171 2HD1 LEU 23 2HD1 LEU 23 3.128 -3.752 -0.825 172 3HD1 LEU 23 3HD1 LEU 23 1.784 -4.540 -0.026 173 1HD2 LEU 23 1HD2 LEU 23 5.189 -3.715 0.460 174 2HD2 LEU 23 2HD2 LEU 23 5.100 -4.540 2.011 175 3HD2 LEU 23 3HD2 LEU 23 4.451 -5.297 0.552 176 H MET 24 H MET 24 3.427 -0.439 4.305 177 HA MET 24 HA MET 24 4.574 1.886 3.132 178 1HB MET 24 1HB MET 24 2.763 2.574 4.316 179 2HB MET 24 2HB MET 24 2.723 1.026 5.177 180 1HG MET 24 1HG MET 24 3.181 2.300 7.026 181 2HG MET 24 2HG MET 24 4.830 2.366 6.420 182 1HE MET 24 1HE MET 24 5.628 3.995 7.130 183 2HE MET 24 2HE MET 24 5.807 5.309 5.979 184 3HE MET 24 3HE MET 24 4.943 5.595 7.500 185 H GLN 25 H GLN 25 5.655 -0.385 5.482 186 HA GLN 25 HA GLN 25 7.791 1.361 6.478 187 1HB GLN 25 1HB GLN 25 6.922 -0.022 8.163 188 2HB GLN 25 2HB GLN 25 6.668 -1.348 7.026 189 1HG GLN 25 1HG GLN 25 8.867 -2.071 7.144 190 2HG GLN 25 2HG GLN 25 9.460 -0.504 7.664 191 1HE2 GLN 25 2HE2 GLN 25 6.612 -2.082 9.142 192 2HE2 GLN 25 1HE2 GLN 25 7.346 -2.341 10.666 193 H ALA 26 H ALA 26 7.734 -1.981 5.046 194 HA ALA 26 HA ALA 26 10.405 -2.049 4.170 195 1HB ALA 26 1HB ALA 26 7.883 -2.984 2.788 196 2HB ALA 26 2HB ALA 26 9.495 -3.509 2.356 197 3HB ALA 26 3HB ALA 26 8.843 -3.908 3.937 198 H ALA 27 H ALA 27 7.681 -0.617 2.245 199 HA ALA 27 HA ALA 27 9.199 0.201 -0.014 200 1HB ALA 27 1HB ALA 27 6.776 1.294 1.450 201 2HB ALA 27 2HB ALA 27 7.345 1.978 -0.079 202 3HB ALA 27 3HB ALA 27 6.819 0.299 -0.003 203 H VAL 28 H VAL 28 8.476 2.068 2.968 204 HA VAL 28 HA VAL 28 10.092 4.336 2.246 205 HB VAL 28 HB VAL 28 8.259 3.471 4.265 206 1HG1 VAL 28 1HG1 VAL 28 10.553 3.119 5.521 207 2HG1 VAL 28 2HG1 VAL 28 10.609 4.880 5.553 208 3HG1 VAL 28 3HG1 VAL 28 9.269 4.031 6.339 209 1HG2 VAL 28 1HG2 VAL 28 9.178 5.847 2.983 210 2HG2 VAL 28 2HG2 VAL 28 7.718 5.636 3.952 211 3HG2 VAL 28 3HG2 VAL 28 9.206 6.155 4.726 212 H SER 29 H SER 29 11.038 1.248 2.931 213 HA SER 29 HA SER 29 13.519 1.969 4.381 214 1HB SER 29 1HB SER 29 12.935 0.012 5.376 215 2HB SER 29 2HB SER 29 11.594 -0.153 4.229 216 HG SER 29 HG SER 29 14.196 -1.183 4.140 217 H ASN 30 H ASN 30 12.244 0.648 1.385 218 HA ASN 30 HA ASN 30 14.913 0.040 0.284 219 1HB ASN 30 1HB ASN 30 12.032 -0.311 -0.641 220 2HB ASN 30 2HB ASN 30 13.424 -0.847 -1.543 221 1HD2 ASN 30 2HD2 ASN 30 12.011 -1.192 1.689 222 2HD2 ASN 30 1HD2 ASN 30 12.576 -2.769 1.954 223 H GLY 31 H GLY 31 13.039 2.704 0.758 224 1HA GLY 31 1HA GLY 31 13.488 4.884 -0.189 225 2HA GLY 31 2HA GLY 31 14.331 4.123 -1.526 226 H ILE 32 H ILE 32 11.342 2.697 -0.864 227 HA ILE 32 HA ILE 32 10.145 3.551 -3.359 228 HB ILE 32 HB ILE 32 9.252 1.973 -0.961 229 1HG1 ILE 32 1HG1 ILE 32 10.211 1.359 -3.764 230 2HG1 ILE 32 2HG1 ILE 32 10.932 0.859 -2.249 231 1HG2 ILE 32 1HG2 ILE 32 7.798 2.431 -3.603 232 2HG2 ILE 32 2HG2 ILE 32 7.277 1.296 -2.337 233 3HG2 ILE 32 3HG2 ILE 32 7.286 3.037 -2.015 234 1HD1 ILE 32 1HD1 ILE 32 8.258 -0.055 -3.258 235 2HD1 ILE 32 2HD1 ILE 32 9.715 -1.010 -3.303 236 3HD1 ILE 32 3HD1 ILE 32 9.024 -0.558 -1.760 237 H TYR 33 H TYR 33 9.101 4.040 -0.012 238 HA TYR 33 HA TYR 33 7.323 6.268 -0.786 239 1HB TYR 33 1HB TYR 33 8.101 4.726 1.649 240 2HB TYR 33 2HB TYR 33 7.241 6.251 1.865 241 HD1 TYR 33 HD1 TYR 33 6.294 5.062 -1.303 242 HD2 TYR 33 HD2 TYR 33 5.711 4.257 2.884 243 HE1 TYR 33 HE1 TYR 33 4.206 3.897 -1.851 244 HE2 TYR 33 HE2 TYR 33 3.618 3.112 2.354 245 HH TYR 33 HH TYR 33 2.724 2.180 -0.825 246 H ASP 34 H ASP 34 9.808 6.943 -1.614 247 HA ASP 34 HA ASP 34 11.685 8.192 -0.013 248 1HB ASP 34 1HB ASP 34 12.164 9.549 -1.993 249 2HB ASP 34 2HB ASP 34 11.648 7.931 -2.508 250 H ILE 35 H ILE 35 8.436 9.275 -0.840 251 HA ILE 35 HA ILE 35 8.809 11.973 0.317 252 HB ILE 35 HB ILE 35 6.372 12.238 -0.244 253 1HG1 ILE 35 1HG1 ILE 35 6.596 9.287 -1.046 254 2HG1 ILE 35 2HG1 ILE 35 5.647 9.908 0.317 255 1HG2 ILE 35 1HG2 ILE 35 8.493 11.765 -2.072 256 2HG2 ILE 35 2HG2 ILE 35 7.103 10.862 -2.689 257 3HG2 ILE 35 3HG2 ILE 35 6.981 12.606 -2.389 258 1HD1 ILE 35 1HD1 ILE 35 4.627 11.475 -1.536 259 2HD1 ILE 35 2HD1 ILE 35 5.114 10.189 -2.626 260 3HD1 ILE 35 3HD1 ILE 35 3.991 9.861 -1.305 261 H VAL 36 H VAL 36 9.215 11.766 2.508 262 HA VAL 36 HA VAL 36 7.917 9.822 4.204 263 HB VAL 36 HB VAL 36 9.667 12.239 4.727 264 1HG1 VAL 36 1HG1 VAL 36 8.126 10.750 6.524 265 2HG1 VAL 36 2HG1 VAL 36 9.748 10.110 6.713 266 3HG1 VAL 36 3HG1 VAL 36 9.444 11.805 6.965 267 1HG2 VAL 36 1HG2 VAL 36 10.122 9.461 3.911 268 2HG2 VAL 36 2HG2 VAL 36 11.195 10.850 3.741 269 3HG2 VAL 36 3HG2 VAL 36 11.109 9.974 5.273 270 H GLY 37 H GLY 37 5.650 10.739 3.591 271 1HA GLY 37 1HA GLY 37 5.006 13.012 5.440 272 2HA GLY 37 2HA GLY 37 4.136 12.811 3.901 273 H ASP 38 H ASP 38 5.141 10.433 6.343 274 HA ASP 38 HA ASP 38 2.442 9.289 6.330 275 1HB ASP 38 1HB ASP 38 4.856 8.480 7.991 276 2HB ASP 38 2HB ASP 38 3.520 7.454 7.490 277 H CYS 39 H CYS 39 1.492 8.686 8.567 278 HA CYS 39 HA CYS 39 1.598 11.069 10.356 279 1HB CYS 39 1HB CYS 39 -0.569 10.021 11.192 280 2HB CYS 39 2HB CYS 39 -0.585 10.561 9.529 281 H GLY 40 H GLY 40 2.875 7.996 10.147 282 1HA GLY 40 1HA GLY 40 4.139 6.773 11.746 283 2HA GLY 40 2HA GLY 40 3.901 8.120 12.856 284 H GLY 41 H GLY 41 1.203 6.392 11.386 285 1HA GLY 41 1HA GLY 41 -0.308 4.815 12.338 286 2HA GLY 41 2HA GLY 41 0.746 4.711 13.741 287 H SER 42 H SER 42 -0.043 7.887 12.740 288 HA SER 42 HA SER 42 -1.723 8.226 15.207 289 1HB SER 42 1HB SER 42 -0.048 9.817 15.179 290 2HB SER 42 2HB SER 42 -0.032 9.928 13.426 291 HG SER 42 HG SER 42 -1.196 11.584 14.974 292 H ALA 43 H ALA 43 -2.165 7.521 11.991 293 HA ALA 43 HA ALA 43 -3.989 7.732 10.532 294 1HB ALA 43 1HB ALA 43 -4.769 7.060 13.087 295 2HB ALA 43 2HB ALA 43 -5.843 8.414 12.656 296 3HB ALA 43 3HB ALA 43 -5.787 6.969 11.624 297 H SER 44 H SER 44 -2.636 10.048 10.405 298 HA SER 44 HA SER 44 -4.820 12.098 10.395 299 1HB SER 44 1HB SER 44 -3.011 11.978 12.384 300 2HB SER 44 2HB SER 44 -2.111 12.958 11.244 301 HG SER 44 HG SER 44 -3.460 14.526 11.481 302 H CYS 45 H CYS 45 -3.377 10.503 8.232 303 HA CYS 45 HA CYS 45 -2.409 12.882 6.723 304 1HB CYS 45 1HB CYS 45 -0.312 12.015 6.525 305 2HB CYS 45 2HB CYS 45 -0.771 11.155 7.995 306 H ALA 46 H ALA 46 -2.005 12.192 4.356 307 HA ALA 46 HA ALA 46 -3.820 10.041 3.369 308 1HB ALA 46 1HB ALA 46 -4.024 13.059 2.849 309 2HB ALA 46 2HB ALA 46 -4.910 11.830 1.925 310 3HB ALA 46 3HB ALA 46 -5.222 12.029 3.657 311 H THR 47 H THR 47 -0.818 11.081 3.293 312 HA THR 47 HA THR 47 -0.392 11.383 0.370 313 HB THR 47 HB THR 47 2.078 11.308 1.431 314 HG1 THR 47 HG1 THR 47 1.795 10.760 3.463 315 1HG2 THR 47 1HG2 THR 47 0.013 13.446 1.361 316 2HG2 THR 47 2HG2 THR 47 1.390 13.760 2.399 317 3HG2 THR 47 3HG2 THR 47 1.665 13.448 0.688 318 H CYS 48 H CYS 48 -0.902 8.807 2.482 319 HA CYS 48 HA CYS 48 1.035 7.036 1.065 320 1HB CYS 48 1HB CYS 48 0.194 5.391 2.868 321 2HB CYS 48 2HB CYS 48 1.055 6.789 3.482 322 H HIS 49 H HIS 49 -1.408 8.150 -0.197 323 HA HIS 49 HA HIS 49 -3.496 6.170 -0.362 324 1HB HIS 49 1HB HIS 49 -3.856 8.529 -0.928 325 2HB HIS 49 2HB HIS 49 -2.598 8.491 -2.118 326 HD1 HIS 49 HD1 HIS 49 -5.265 5.822 -1.780 327 HD2 HIS 49 HD2 HIS 49 -4.191 8.879 -4.357 328 HE1 HIS 49 HE1 HIS 49 -6.633 5.488 -3.826 329 H VAL 50 H VAL 50 -3.400 4.202 -1.438 330 HA VAL 50 HA VAL 50 -1.988 4.082 -4.016 331 HB VAL 50 HB VAL 50 -0.162 2.828 -3.316 332 1HG1 VAL 50 1HG1 VAL 50 -1.060 3.909 -0.635 333 2HG1 VAL 50 2HG1 VAL 50 0.546 3.259 -0.984 334 3HG1 VAL 50 3HG1 VAL 50 -0.014 4.713 -1.799 335 1HG2 VAL 50 1HG2 VAL 50 -2.202 1.505 -1.590 336 2HG2 VAL 50 2HG2 VAL 50 -1.148 0.787 -2.801 337 3HG2 VAL 50 3HG2 VAL 50 -0.496 1.248 -1.208 338 H TYR 51 H TYR 51 -2.041 1.477 -4.513 339 HA TYR 51 HA TYR 51 -4.740 0.501 -3.723 340 1HB TYR 51 1HB TYR 51 -3.409 1.023 -6.331 341 2HB TYR 51 2HB TYR 51 -4.857 0.009 -6.190 342 HD1 TYR 51 HD1 TYR 51 -6.931 0.969 -5.263 343 HD2 TYR 51 HD2 TYR 51 -3.499 3.374 -6.048 344 HE1 TYR 51 HE1 TYR 51 -8.298 2.993 -5.118 345 HE2 TYR 51 HE2 TYR 51 -4.894 5.399 -5.983 346 HH TYR 51 HH TYR 51 -6.869 6.233 -5.821 347 H VAL 52 H VAL 52 -4.142 -1.436 -2.718 348 HA VAL 52 HA VAL 52 -1.887 -3.027 -3.595 349 HB VAL 52 HB VAL 52 -4.255 -3.830 -1.866 350 1HG1 VAL 52 1HG1 VAL 52 -2.159 -5.348 -2.574 351 2HG1 VAL 52 2HG1 VAL 52 -1.459 -4.517 -1.192 352 3HG1 VAL 52 3HG1 VAL 52 -2.920 -5.490 -0.966 353 1HG2 VAL 52 1HG2 VAL 52 -3.325 -1.565 -1.187 354 2HG2 VAL 52 2HG2 VAL 52 -3.224 -2.830 0.047 355 3HG2 VAL 52 3HG2 VAL 52 -1.781 -2.407 -0.874 356 H ASN 53 H ASN 53 -1.973 -4.630 -5.262 357 HA ASN 53 HA ASN 53 -4.107 -5.120 -6.958 358 1HB ASN 53 1HB ASN 53 -3.180 -7.549 -6.864 359 2HB ASN 53 2HB ASN 53 -2.098 -6.267 -7.400 360 1HD2 ASN 53 2HD2 ASN 53 -2.851 -6.280 -4.013 361 2HD2 ASN 53 1HD2 ASN 53 -1.429 -7.001 -3.531 362 H GLU 54 H GLU 54 -5.988 -6.460 -6.835 363 HA GLU 54 HA GLU 54 -7.318 -6.872 -4.388 364 1HB GLU 54 1HB GLU 54 -8.729 -8.409 -5.853 365 2HB GLU 54 2HB GLU 54 -8.477 -6.774 -6.481 366 1HG GLU 54 1HG GLU 54 -6.273 -8.209 -7.403 367 2HG GLU 54 2HG GLU 54 -7.638 -9.315 -7.616 368 H ALA 55 H ALA 55 -4.679 -8.694 -5.595 369 HA ALA 55 HA ALA 55 -5.500 -11.207 -4.274 370 1HB ALA 55 1HB ALA 55 -3.826 -10.362 -6.414 371 2HB ALA 55 2HB ALA 55 -2.807 -11.195 -5.230 372 3HB ALA 55 3HB ALA 55 -4.221 -12.016 -5.924 373 H PHE 56 H PHE 56 -4.323 -8.453 -2.989 374 HA PHE 56 HA PHE 56 -2.949 -9.922 -0.759 375 1HB PHE 56 1HB PHE 56 -1.972 -7.460 -2.233 376 2HB PHE 56 2HB PHE 56 -1.228 -8.046 -0.762 377 HD1 PHE 56 HD1 PHE 56 -2.022 -8.918 -4.318 378 HD2 PHE 56 HD2 PHE 56 0.244 -9.998 -0.785 379 HE1 PHE 56 HE1 PHE 56 -0.784 -10.622 -5.603 380 HE2 PHE 56 HE2 PHE 56 1.383 -11.762 -2.064 381 HZ PHE 56 HZ PHE 56 0.893 -12.046 -4.524 382 H THR 57 H THR 57 -5.413 -7.994 -1.708 383 HA THR 57 HA THR 57 -5.323 -6.091 0.544 384 HB THR 57 HB THR 57 -7.236 -5.110 -0.527 385 HG1 THR 57 HG1 THR 57 -8.274 -6.221 -2.274 386 1HG2 THR 57 1HG2 THR 57 -4.873 -5.677 -1.904 387 2HG2 THR 57 2HG2 THR 57 -6.167 -5.883 -3.085 388 3HG2 THR 57 3HG2 THR 57 -6.001 -4.364 -2.205 389 H ASP 58 H ASP 58 -6.933 -9.056 -0.523 390 HA ASP 58 HA ASP 58 -8.615 -9.207 1.948 391 1HB ASP 58 1HB ASP 58 -10.150 -9.835 0.404 392 2HB ASP 58 2HB ASP 58 -8.914 -9.737 -0.858 393 H LYS 59 H LYS 59 -5.722 -10.255 0.850 394 HA LYS 59 HA LYS 59 -5.707 -12.957 2.066 395 1HB LYS 59 1HB LYS 59 -3.415 -11.434 0.860 396 2HB LYS 59 2HB LYS 59 -3.787 -13.157 0.773 397 1HG LYS 59 1HG LYS 59 -5.977 -11.924 -0.506 398 2HG LYS 59 2HG LYS 59 -4.564 -11.024 -1.063 399 1HD LYS 59 1HD LYS 59 -4.959 -12.928 -2.575 400 2HD LYS 59 2HD LYS 59 -3.461 -13.176 -1.647 401 1HE LYS 59 1HE LYS 59 -5.228 -14.290 0.070 402 2HE LYS 59 2HE LYS 59 -6.044 -14.634 -1.471 403 1HZ LYS 59 1HZ LYS 59 -3.876 -15.419 -2.332 404 2HZ LYS 59 2HZ LYS 59 -3.229 -15.206 -0.777 405 3HZ LYS 59 3HZ LYS 59 -4.454 -16.353 -1.032 406 H VAL 60 H VAL 60 -4.106 -9.868 2.037 407 HA VAL 60 HA VAL 60 -2.612 -10.221 4.512 408 HB VAL 60 HB VAL 60 -2.815 -8.648 2.110 409 1HG1 VAL 60 1HG1 VAL 60 -3.304 -7.018 4.476 410 2HG1 VAL 60 2HG1 VAL 60 -1.876 -6.538 3.585 411 3HG1 VAL 60 3HG1 VAL 60 -3.440 -6.598 2.753 412 1HG2 VAL 60 1HG2 VAL 60 -0.857 -9.329 4.133 413 2HG2 VAL 60 2HG2 VAL 60 -0.801 -9.462 2.374 414 3HG2 VAL 60 3HG2 VAL 60 -0.517 -7.897 3.162 415 HA PRO 61 HA PRO 61 -5.704 -8.670 7.176 416 1HB PRO 61 1HB PRO 61 -4.591 -6.571 8.583 417 2HB PRO 61 2HB PRO 61 -4.226 -8.276 8.893 418 1HG PRO 61 1HG PRO 61 -2.638 -6.218 7.537 419 2HG PRO 61 2HG PRO 61 -2.114 -7.661 8.405 420 1HD PRO 61 1HD PRO 61 -2.172 -7.372 5.658 421 2HD PRO 61 2HD PRO 61 -2.081 -8.895 6.495 422 H ALA 62 H ALA 62 -7.449 -7.686 6.650 423 HA ALA 62 HA ALA 62 -7.670 -5.402 4.896 424 1HB ALA 62 1HB ALA 62 -9.258 -7.594 5.890 425 2HB ALA 62 2HB ALA 62 -10.139 -6.079 6.072 426 3HB ALA 62 3HB ALA 62 -9.561 -6.561 4.483 427 H ALA 63 H ALA 63 -6.469 -4.088 6.447 428 HA ALA 63 HA ALA 63 -7.059 -3.184 8.948 429 1HB ALA 63 1HB ALA 63 -6.601 -1.582 6.431 430 2HB ALA 63 2HB ALA 63 -6.483 -0.905 8.052 431 3HB ALA 63 3HB ALA 63 -5.371 -2.169 7.549 432 H ASN 64 H ASN 64 -8.483 -1.527 9.826 433 HA ASN 64 HA ASN 64 -11.163 -1.636 8.653 434 1HB ASN 64 1HB ASN 64 -11.783 -0.605 10.830 435 2HB ASN 64 2HB ASN 64 -10.799 -2.042 11.023 436 1HD2 ASN 64 2HD2 ASN 64 -10.459 -0.661 13.216 437 2HD2 ASN 64 1HD2 ASN 64 -9.091 0.343 13.228 438 H GLU 65 H GLU 65 -12.299 0.584 9.424 439 HA GLU 65 HA GLU 65 -12.218 2.489 7.508 440 1HB GLU 65 1HB GLU 65 -12.866 4.066 9.503 441 2HB GLU 65 2HB GLU 65 -13.872 2.681 9.127 442 1HG GLU 65 1HG GLU 65 -11.738 1.892 10.911 443 2HG GLU 65 2HG GLU 65 -12.632 3.239 11.599 444 H ARG 66 H ARG 66 -9.811 2.300 10.122 445 HA ARG 66 HA ARG 66 -8.702 4.915 9.881 446 1HB ARG 66 1HB ARG 66 -7.906 2.266 10.917 447 2HB ARG 66 2HB ARG 66 -6.554 3.165 10.243 448 1HG ARG 66 1HG ARG 66 -7.428 5.191 11.610 449 2HG ARG 66 2HG ARG 66 -8.401 4.008 12.478 450 1HD ARG 66 1HD ARG 66 -5.378 3.856 12.209 451 2HD ARG 66 2HD ARG 66 -6.247 4.438 13.638 452 HE ARG 66 HE ARG 66 -6.964 1.762 12.573 453 1HH1 ARG 66 1HH1 ARG 66 -7.161 3.428 15.311 454 2HH1 ARG 66 2HH1 ARG 66 -6.279 2.342 16.329 455 1HH2 ARG 66 1HH2 ARG 66 -5.133 0.377 13.726 456 2HH2 ARG 66 2HH2 ARG 66 -5.136 0.613 15.448 457 H GLU 67 H GLU 67 -7.460 1.936 8.347 458 HA GLU 67 HA GLU 67 -5.857 3.154 6.327 459 1HB GLU 67 1HB GLU 67 -5.566 0.872 6.997 460 2HB GLU 67 2HB GLU 67 -7.279 0.520 6.730 461 1HG GLU 67 1HG GLU 67 -6.165 -0.397 4.858 462 2HG GLU 67 2HG GLU 67 -6.841 1.121 4.283 463 H ILE 68 H ILE 68 -9.264 2.084 6.294 464 HA ILE 68 HA ILE 68 -9.643 2.765 3.477 465 HB ILE 68 HB ILE 68 -11.565 2.019 5.709 466 1HG1 ILE 68 1HG1 ILE 68 -10.087 0.321 3.671 467 2HG1 ILE 68 2HG1 ILE 68 -9.583 0.496 5.367 468 1HG2 ILE 68 1HG2 ILE 68 -11.811 2.438 2.793 469 2HG2 ILE 68 2HG2 ILE 68 -12.456 0.898 3.352 470 3HG2 ILE 68 3HG2 ILE 68 -13.091 2.404 4.007 471 1HD1 ILE 68 1HD1 ILE 68 -12.141 -0.196 5.797 472 2HD1 ILE 68 2HD1 ILE 68 -11.877 -1.038 4.263 473 3HD1 ILE 68 3HD1 ILE 68 -10.838 -1.369 5.645 474 H GLY 69 H GLY 69 -9.469 4.665 6.300 475 1HA GLY 69 1HA GLY 69 -11.586 6.532 5.440 476 2HA GLY 69 2HA GLY 69 -10.538 6.742 6.859 477 H MET 70 H MET 70 -8.190 7.202 6.370 478 HA MET 70 HA MET 70 -7.806 9.468 4.794 479 1HB MET 70 1HB MET 70 -5.361 8.535 4.587 480 2HB MET 70 2HB MET 70 -6.003 8.807 6.207 481 1HG MET 70 1HG MET 70 -6.767 6.157 5.385 482 2HG MET 70 2HG MET 70 -5.038 6.349 5.099 483 1HE MET 70 1HE MET 70 -4.733 4.631 6.323 484 2HE MET 70 2HE MET 70 -3.901 4.913 7.865 485 3HE MET 70 3HE MET 70 -5.535 4.201 7.829 486 H LEU 71 H LEU 71 -7.584 6.056 3.759 487 HA LEU 71 HA LEU 71 -6.934 6.380 0.985 488 1HB LEU 71 1HB LEU 71 -6.965 4.285 2.356 489 2HB LEU 71 2HB LEU 71 -8.700 4.436 2.464 490 HG LEU 71 HG LEU 71 -7.464 2.980 0.595 491 1HD1 LEU 71 1HD1 LEU 71 -10.173 4.270 0.785 492 2HD1 LEU 71 2HD1 LEU 71 -9.795 3.396 -0.702 493 3HD1 LEU 71 3HD1 LEU 71 -9.733 2.565 0.869 494 1HD2 LEU 71 1HD2 LEU 71 -7.980 5.680 -0.636 495 2HD2 LEU 71 2HD2 LEU 71 -6.480 4.771 -0.633 496 3HD2 LEU 71 3HD2 LEU 71 -7.835 4.213 -1.614 497 H GLU 72 H GLU 72 -10.119 6.055 2.610 498 HA GLU 72 HA GLU 72 -11.735 6.646 0.338 499 1HB GLU 72 1HB GLU 72 -12.869 5.877 2.226 500 2HB GLU 72 2HB GLU 72 -11.935 6.872 3.325 501 1HG GLU 72 1HG GLU 72 -13.455 8.511 3.246 502 2HG GLU 72 2HG GLU 72 -13.507 8.513 1.487 503 H CYS 73 H CYS 73 -9.767 8.658 2.401 504 HA CYS 73 HA CYS 73 -10.962 11.184 1.725 505 1HB CYS 73 1HB CYS 73 -8.938 10.068 3.407 506 2HB CYS 73 2HB CYS 73 -8.218 11.410 2.511 507 HG CYS 73 HG CYS 73 -9.502 12.938 3.985 508 H VAL 74 H VAL 74 -8.028 9.501 0.610 509 HA VAL 74 HA VAL 74 -6.736 11.162 -1.090 510 HB VAL 74 HB VAL 74 -6.160 9.215 -2.350 511 1HG1 VAL 74 1HG1 VAL 74 -5.738 9.175 0.205 512 2HG1 VAL 74 2HG1 VAL 74 -7.059 8.011 0.265 513 3HG1 VAL 74 3HG1 VAL 74 -5.615 7.655 -0.662 514 1HG2 VAL 74 1HG2 VAL 74 -8.969 8.683 -1.893 515 2HG2 VAL 74 2HG2 VAL 74 -7.927 8.105 -3.218 516 3HG2 VAL 74 3HG2 VAL 74 -7.965 7.228 -1.660 517 H THR 75 H THR 75 -6.948 11.593 -3.451 518 HA THR 75 HA THR 75 -9.811 11.773 -4.313 519 HB THR 75 HB THR 75 -7.381 13.523 -4.761 520 HG1 THR 75 HG1 THR 75 -9.390 13.498 -2.981 521 1HG2 THR 75 1HG2 THR 75 -10.038 13.440 -6.079 522 2HG2 THR 75 2HG2 THR 75 -9.237 14.996 -5.845 523 3HG2 THR 75 3HG2 THR 75 -8.444 13.726 -6.798 524 H ALA 76 H ALA 76 -7.657 9.569 -4.843 525 HA ALA 76 HA ALA 76 -7.320 10.033 -7.781 526 1HB ALA 76 1HB ALA 76 -5.715 9.088 -5.702 527 2HB ALA 76 2HB ALA 76 -6.038 7.668 -6.709 528 3HB ALA 76 3HB ALA 76 -5.325 9.118 -7.430 529 H GLU 77 H GLU 77 -6.868 7.366 -8.321 530 HA GLU 77 HA GLU 77 -9.409 6.445 -9.206 531 1HB GLU 77 1HB GLU 77 -7.882 5.722 -10.635 532 2HB GLU 77 2HB GLU 77 -6.594 6.059 -9.485 533 1HG GLU 77 1HG GLU 77 -6.712 3.847 -8.580 534 2HG GLU 77 2HG GLU 77 -8.264 3.533 -9.383 535 H LEU 78 H LEU 78 -10.090 6.469 -6.667 536 HA LEU 78 HA LEU 78 -9.083 4.409 -5.025 537 1HB LEU 78 1HB LEU 78 -10.771 6.345 -4.437 538 2HB LEU 78 2HB LEU 78 -11.979 5.069 -4.719 539 HG LEU 78 HG LEU 78 -9.920 3.798 -3.423 540 1HD1 LEU 78 1HD1 LEU 78 -10.171 6.513 -2.297 541 2HD1 LEU 78 2HD1 LEU 78 -9.712 5.138 -1.313 542 3HD1 LEU 78 3HD1 LEU 78 -8.732 5.586 -2.704 543 1HD2 LEU 78 1HD2 LEU 78 -12.632 4.148 -3.008 544 2HD2 LEU 78 2HD2 LEU 78 -11.538 3.022 -2.194 545 3HD2 LEU 78 3HD2 LEU 78 -11.870 4.609 -1.494 546 H LYS 79 H LYS 79 -9.917 2.442 -4.427 547 HA LYS 79 HA LYS 79 -11.262 0.980 -6.662 548 1HB LYS 79 1HB LYS 79 -8.762 0.771 -5.019 549 2HB LYS 79 2HB LYS 79 -9.375 -0.654 -5.856 550 1HG LYS 79 1HG LYS 79 -9.036 1.947 -7.305 551 2HG LYS 79 2HG LYS 79 -7.635 0.900 -7.056 552 1HD LYS 79 1HD LYS 79 -8.379 -0.691 -8.491 553 2HD LYS 79 2HD LYS 79 -10.066 -0.411 -8.088 554 1HE LYS 79 1HE LYS 79 -9.930 1.758 -9.374 555 2HE LYS 79 2HE LYS 79 -8.334 1.237 -9.918 556 1HZ LYS 79 1HZ LYS 79 -9.290 -0.801 -10.796 557 2HZ LYS 79 2HZ LYS 79 -10.840 -0.318 -10.294 558 3HZ LYS 79 3HZ LYS 79 -10.035 0.548 -11.503 559 HA PRO 80 HA PRO 80 -13.328 -1.366 -3.442 560 1HB PRO 80 1HB PRO 80 -13.085 -3.930 -4.396 561 2HB PRO 80 2HB PRO 80 -14.141 -2.749 -5.185 562 1HG PRO 80 1HG PRO 80 -11.458 -3.698 -5.940 563 2HG PRO 80 2HG PRO 80 -12.832 -3.288 -6.965 564 1HD PRO 80 1HD PRO 80 -10.664 -1.643 -6.547 565 2HD PRO 80 2HD PRO 80 -12.259 -1.053 -7.026 566 H ASN 81 H ASN 81 -10.153 -2.212 -4.608 567 HA ASN 81 HA ASN 81 -9.403 -3.456 -2.024 568 1HB ASN 81 1HB ASN 81 -7.429 -4.184 -3.386 569 2HB ASN 81 2HB ASN 81 -8.964 -4.768 -3.950 570 1HD2 ASN 81 2HD2 ASN 81 -6.239 -3.936 -5.210 571 2HD2 ASN 81 1HD2 ASN 81 -6.711 -3.030 -6.562 572 H SER 82 H SER 82 -9.528 -0.402 -2.948 573 HA SER 82 HA SER 82 -7.028 0.860 -3.001 574 1HB SER 82 1HB SER 82 -9.763 1.394 -1.923 575 2HB SER 82 2HB SER 82 -8.440 2.409 -1.339 576 HG SER 82 HG SER 82 -8.106 3.133 -3.242 577 H ARG 83 H ARG 83 -5.527 1.373 -1.382 578 HA ARG 83 HA ARG 83 -6.063 0.726 1.418 579 1HB ARG 83 1HB ARG 83 -4.972 -1.209 -0.493 580 2HB ARG 83 2HB ARG 83 -4.000 -1.046 0.944 581 1HG ARG 83 1HG ARG 83 -6.877 -1.861 0.758 582 2HG ARG 83 2HG ARG 83 -5.518 -2.785 1.376 583 1HD ARG 83 1HD ARG 83 -6.050 -0.183 2.733 584 2HD ARG 83 2HD ARG 83 -7.204 -1.466 3.027 585 HE ARG 83 HE ARG 83 -4.436 -1.424 3.908 586 1HH1 ARG 83 1HH1 ARG 83 -6.884 -3.488 2.690 587 2HH1 ARG 83 2HH1 ARG 83 -6.420 -4.832 3.651 588 1HH2 ARG 83 1HH2 ARG 83 -3.945 -3.053 5.356 589 2HH2 ARG 83 2HH2 ARG 83 -4.713 -4.602 5.216 590 H LEU 84 H LEU 84 -4.788 2.256 2.522 591 HA LEU 84 HA LEU 84 -2.377 3.317 1.193 592 1HB LEU 84 1HB LEU 84 -3.363 3.760 4.059 593 2HB LEU 84 2HB LEU 84 -2.290 4.800 3.144 594 HG LEU 84 HG LEU 84 -5.199 4.644 3.134 595 1HD1 LEU 84 1HD1 LEU 84 -3.230 6.700 2.202 596 2HD1 LEU 84 2HD1 LEU 84 -4.947 6.963 2.362 597 3HD1 LEU 84 3HD1 LEU 84 -3.985 6.630 3.764 598 1HD2 LEU 84 1HD2 LEU 84 -3.728 4.354 0.563 599 2HD2 LEU 84 2HD2 LEU 84 -5.354 3.863 0.992 600 3HD2 LEU 84 3HD2 LEU 84 -5.029 5.545 0.619 601 H CYS 85 H CYS 85 -0.654 2.086 1.201 602 HA CYS 85 HA CYS 85 -0.030 -0.216 2.330 603 1HB CYS 85 1HB CYS 85 1.587 2.155 1.611 604 2HB CYS 85 2HB CYS 85 2.431 0.801 2.382 605 HG CYS 85 HG CYS 85 0.755 0.456 -0.241 606 H CYS 86 H CYS 86 -0.108 2.707 4.356 607 HA CYS 86 HA CYS 86 1.613 1.679 6.408 608 1HB CYS 86 1HB CYS 86 0.360 3.324 7.850 609 2HB CYS 86 2HB CYS 86 1.024 4.013 6.373 610 H GLN 87 H GLN 87 -1.493 0.602 5.450 611 HA GLN 87 HA GLN 87 -1.731 -0.821 8.061 612 1HB GLN 87 1HB GLN 87 -3.464 0.924 6.740 613 2HB GLN 87 2HB GLN 87 -4.201 -0.669 6.599 614 1HG GLN 87 1HG GLN 87 -4.835 -0.548 8.787 615 2HG GLN 87 2HG GLN 87 -3.142 -0.525 9.223 616 1HE2 GLN 87 2HE2 GLN 87 -2.197 1.905 8.491 617 2HE2 GLN 87 1HE2 GLN 87 -3.077 3.140 9.232 618 H ILE 88 H ILE 88 -0.461 -1.539 5.264 619 HA ILE 88 HA ILE 88 -1.995 -4.090 4.762 620 HB ILE 88 HB ILE 88 -0.272 -2.233 3.115 621 1HG1 ILE 88 1HG1 ILE 88 -2.850 -2.193 3.400 622 2HG1 ILE 88 2HG1 ILE 88 -2.211 -2.167 1.756 623 1HG2 ILE 88 1HG2 ILE 88 -0.710 -5.195 2.714 624 2HG2 ILE 88 2HG2 ILE 88 -0.491 -4.109 1.349 625 3HG2 ILE 88 3HG2 ILE 88 0.776 -4.261 2.545 626 1HD1 ILE 88 1HD1 ILE 88 -3.075 -4.663 3.212 627 2HD1 ILE 88 2HD1 ILE 88 -4.048 -3.810 2.011 628 3HD1 ILE 88 3HD1 ILE 88 -2.512 -4.574 1.544 629 H ILE 89 H ILE 89 -0.979 -5.568 6.185 630 HA ILE 89 HA ILE 89 1.934 -5.617 6.569 631 HB ILE 89 HB ILE 89 -0.493 -6.967 7.673 632 1HG1 ILE 89 1HG1 ILE 89 0.169 -5.978 9.671 633 2HG1 ILE 89 2HG1 ILE 89 1.887 -6.220 9.347 634 1HG2 ILE 89 1HG2 ILE 89 1.966 -8.404 7.172 635 2HG2 ILE 89 2HG2 ILE 89 1.718 -8.220 8.903 636 3HG2 ILE 89 3HG2 ILE 89 0.471 -8.964 7.915 637 1HD1 ILE 89 1HD1 ILE 89 0.194 -4.168 7.862 638 2HD1 ILE 89 2HD1 ILE 89 1.109 -3.819 9.338 639 3HD1 ILE 89 3HD1 ILE 89 1.957 -4.321 7.872 640 H MET 90 H MET 90 3.318 -6.764 5.318 641 HA MET 90 HA MET 90 2.278 -8.558 3.260 642 1HB MET 90 1HB MET 90 4.693 -7.082 3.926 643 2HB MET 90 2HB MET 90 5.057 -8.733 3.449 644 1HG MET 90 1HG MET 90 4.666 -6.558 1.795 645 2HG MET 90 2HG MET 90 4.755 -8.226 1.275 646 1HE MET 90 1HE MET 90 2.767 -9.679 1.833 647 2HE MET 90 2HE MET 90 1.094 -9.324 1.327 648 3HE MET 90 3HE MET 90 2.412 -9.502 0.120 649 H THR 91 H THR 91 1.944 -10.687 3.653 650 HA THR 91 HA THR 91 3.542 -11.852 5.911 651 HB THR 91 HB THR 91 1.399 -13.485 5.461 652 HG1 THR 91 HG1 THR 91 -0.271 -11.689 5.650 653 1HG2 THR 91 1HG2 THR 91 1.861 -11.230 7.342 654 2HG2 THR 91 2HG2 THR 91 0.519 -12.342 7.524 655 3HG2 THR 91 3HG2 THR 91 2.181 -12.941 7.598 656 HA PRO 92 HA PRO 92 5.599 -14.565 3.308 657 1HB PRO 92 1HB PRO 92 5.406 -16.936 4.660 658 2HB PRO 92 2HB PRO 92 6.523 -15.628 5.101 659 1HG PRO 92 1HG PRO 92 3.839 -16.313 6.229 660 2HG PRO 92 2HG PRO 92 5.336 -15.874 7.065 661 1HD PRO 92 1HD PRO 92 3.382 -14.091 6.661 662 2HD PRO 92 2HD PRO 92 5.092 -13.566 6.560 663 H GLU 93 H GLU 93 2.368 -15.344 4.370 664 HA GLU 93 HA GLU 93 1.819 -17.384 2.400 665 1HB GLU 93 1HB GLU 93 -0.559 -16.626 2.765 666 2HB GLU 93 2HB GLU 93 0.301 -17.039 4.251 667 1HG GLU 93 1HG GLU 93 0.936 -14.434 4.021 668 2HG GLU 93 2HG GLU 93 -0.652 -14.410 3.270 669 H LEU 94 H LEU 94 1.485 -13.905 2.442 670 HA LEU 94 HA LEU 94 0.585 -13.707 -0.314 671 1HB LEU 94 1HB LEU 94 1.107 -11.874 2.024 672 2HB LEU 94 2HB LEU 94 0.649 -11.234 0.467 673 HG LEU 94 HG LEU 94 -0.857 -13.511 1.722 674 1HD1 LEU 94 1HD1 LEU 94 -0.816 -11.200 3.050 675 2HD1 LEU 94 2HD1 LEU 94 -1.940 -10.726 1.779 676 3HD1 LEU 94 3HD1 LEU 94 -2.327 -12.100 2.806 677 1HD2 LEU 94 1HD2 LEU 94 -0.752 -12.581 -0.774 678 2HD2 LEU 94 2HD2 LEU 94 -2.243 -13.234 -0.058 679 3HD2 LEU 94 3HD2 LEU 94 -1.967 -11.492 -0.113 680 H ASP 95 H ASP 95 3.318 -14.767 -0.073 681 HA ASP 95 HA ASP 95 5.185 -12.649 -0.526 682 1HB ASP 95 1HB ASP 95 6.487 -14.562 -1.602 683 2HB ASP 95 2HB ASP 95 5.919 -14.883 0.037 684 H GLY 96 H GLY 96 4.849 -11.169 -2.253 685 1HA GLY 96 1HA GLY 96 5.185 -11.164 -4.792 686 2HA GLY 96 2HA GLY 96 3.903 -12.392 -4.815 687 H ILE 97 H ILE 97 3.587 -9.804 -2.548 688 HA ILE 97 HA ILE 97 1.054 -8.937 -3.491 689 HB ILE 97 HB ILE 97 1.543 -8.523 -1.212 690 1HG1 ILE 97 1HG1 ILE 97 1.401 -6.237 -0.827 691 2HG1 ILE 97 2HG1 ILE 97 2.476 -5.853 -2.171 692 1HG2 ILE 97 1HG2 ILE 97 4.201 -8.095 -2.295 693 2HG2 ILE 97 2HG2 ILE 97 3.835 -6.977 -0.970 694 3HG2 ILE 97 3HG2 ILE 97 3.731 -8.740 -0.719 695 1HD1 ILE 97 1HD1 ILE 97 0.173 -7.298 -3.067 696 2HD1 ILE 97 2HD1 ILE 97 -0.312 -5.836 -2.200 697 3HD1 ILE 97 3HD1 ILE 97 0.763 -5.715 -3.584 698 H VAL 98 H VAL 98 0.474 -7.398 -4.898 699 HA VAL 98 HA VAL 98 2.609 -5.899 -6.346 700 HB VAL 98 HB VAL 98 -0.153 -6.641 -7.350 701 1HG1 VAL 98 1HG1 VAL 98 2.448 -5.742 -8.463 702 2HG1 VAL 98 2HG1 VAL 98 1.503 -6.857 -9.457 703 3HG1 VAL 98 3HG1 VAL 98 0.813 -5.305 -8.958 704 1HG2 VAL 98 1HG2 VAL 98 2.326 -8.358 -7.150 705 2HG2 VAL 98 2HG2 VAL 98 0.680 -8.792 -6.660 706 3HG2 VAL 98 3HG2 VAL 98 1.091 -8.652 -8.376 707 H VAL 99 H VAL 99 2.446 -3.736 -5.573 708 HA VAL 99 HA VAL 99 -0.250 -2.818 -4.655 709 HB VAL 99 HB VAL 99 2.117 -1.082 -4.311 710 1HG1 VAL 99 1HG1 VAL 99 -0.415 -1.810 -3.103 711 2HG1 VAL 99 2HG1 VAL 99 0.875 -1.854 -1.916 712 3HG1 VAL 99 3HG1 VAL 99 0.571 -0.372 -2.802 713 1HG2 VAL 99 1HG2 VAL 99 1.970 -3.860 -3.107 714 2HG2 VAL 99 2HG2 VAL 99 3.293 -3.145 -4.014 715 3HG2 VAL 99 3HG2 VAL 99 2.910 -2.551 -2.408 716 H ASP 100 H ASP 100 -1.011 -0.718 -5.345 717 HA ASP 100 HA ASP 100 0.113 0.105 -7.974 718 1HB ASP 100 1HB ASP 100 -2.491 -0.817 -7.133 719 2HB ASP 100 2HB ASP 100 -2.612 0.775 -7.895 720 H VAL 101 H VAL 101 0.672 2.176 -8.129 721 HA VAL 101 HA VAL 101 -0.194 4.003 -5.906 722 HB VAL 101 HB VAL 101 2.134 4.052 -7.871 723 1HG1 VAL 101 1HG1 VAL 101 1.211 6.017 -5.747 724 2HG1 VAL 101 2HG1 VAL 101 2.882 5.953 -6.328 725 3HG1 VAL 101 3HG1 VAL 101 1.577 6.316 -7.435 726 1HG2 VAL 101 1HG2 VAL 101 2.208 2.378 -6.019 727 2HG2 VAL 101 2HG2 VAL 101 3.457 3.605 -5.880 728 3HG2 VAL 101 3HG2 VAL 101 2.016 3.703 -4.866 729 HA PRO 102 HA PRO 102 -2.588 6.114 -9.060 730 1HB PRO 102 1HB PRO 102 -3.773 7.910 -7.427 731 2HB PRO 102 2HB PRO 102 -4.146 6.172 -7.356 732 1HG PRO 102 1HG PRO 102 -2.518 7.812 -5.484 733 2HG PRO 102 2HG PRO 102 -3.477 6.343 -5.186 734 1HD PRO 102 1HD PRO 102 -0.677 6.535 -5.571 735 2HD PRO 102 2HD PRO 102 -1.657 5.071 -5.419 736 H ASP 103 H ASP 103 -2.859 8.383 -9.883 737 HA ASP 103 HA ASP 103 -0.357 9.955 -9.721 738 1HB ASP 103 1HB ASP 103 -1.253 9.560 -11.901 739 2HB ASP 103 2HB ASP 103 -2.871 10.020 -11.384 740 H ARG 104 H ARG 104 -3.518 9.978 -8.324 741 HA ARG 104 HA ARG 104 -3.222 12.780 -7.396 742 1HB ARG 104 1HB ARG 104 -5.256 11.817 -8.710 743 2HB ARG 104 2HB ARG 104 -5.671 10.996 -7.223 744 1HG ARG 104 1HG ARG 104 -6.606 12.887 -6.414 745 2HG ARG 104 2HG ARG 104 -5.024 13.728 -6.585 746 1HD ARG 104 1HD ARG 104 -7.154 13.370 -8.746 747 2HD ARG 104 2HD ARG 104 -6.699 14.902 -7.967 748 HE ARG 104 HE ARG 104 -4.509 13.408 -9.269 749 1HH1 ARG 104 1HH1 ARG 104 -7.067 14.547 -10.826 750 2HH1 ARG 104 2HH1 ARG 104 -6.333 15.917 -11.594 751 1HH2 ARG 104 1HH2 ARG 104 -3.389 15.705 -9.725 752 2HH2 ARG 104 2HH2 ARG 104 -4.244 16.572 -10.948 753 H GLN 105 H GLN 105 -1.535 11.651 -5.919 754 HA GLN 105 HA GLN 105 -2.827 10.013 -3.780 755 1HB GLN 105 1HB GLN 105 -0.370 9.627 -3.192 756 2HB GLN 105 2HB GLN 105 -0.837 9.102 -4.834 757 1HG GLN 105 1HG GLN 105 0.418 10.716 -5.844 758 2HG GLN 105 2HG GLN 105 -0.038 11.923 -4.633 759 1HE2 GLN 105 2HE2 GLN 105 1.079 11.680 -2.457 760 2HE2 GLN 105 1HE2 GLN 105 2.685 11.112 -2.435 761 H TRP 106 H TRP 106 -3.720 12.514 -3.459 762 HA TRP 106 HA TRP 106 -1.983 14.364 -2.027 763 1HB TRP 106 1HB TRP 106 -3.848 15.725 -2.040 764 2HB TRP 106 2HB TRP 106 -4.235 14.645 -3.396 765 HD1 TRP 106 HD1 TRP 106 -6.433 13.233 -3.149 766 HE1 TRP 106 HE1 TRP 106 -8.123 12.787 -1.220 767 HE3 TRP 106 HE3 TRP 106 -3.948 15.553 0.565 768 HZ2 TRP 106 HZ2 TRP 106 -8.338 13.456 1.601 769 HZ3 TRP 106 HZ3 TRP 106 -4.860 15.648 2.872 770 HH2 TRP 106 HH2 TRP 106 -7.060 14.613 3.412 Start of MODEL 12 1 3H SER 1 3H SER 1 7.143 -12.316 3.296 2 1H SER 1 1H SER 1 8.338 -11.367 2.550 3 2H SER 1 2H SER 1 6.870 -10.661 3.024 4 HA SER 1 HA SER 1 6.941 -12.860 1.040 5 1HB SER 1 1HB SER 1 4.718 -12.573 1.316 6 2HB SER 1 2HB SER 1 5.018 -11.285 2.478 7 HG SER 1 HG SER 1 3.837 -10.886 0.337 8 H LYS 2 H LYS 2 6.826 -12.124 -1.225 9 HA LYS 2 HA LYS 2 8.726 -10.082 -1.895 10 1HB LYS 2 1HB LYS 2 6.678 -11.780 -3.284 11 2HB LYS 2 2HB LYS 2 7.556 -10.546 -4.169 12 1HG LYS 2 1HG LYS 2 8.491 -12.932 -4.132 13 2HG LYS 2 2HG LYS 2 9.604 -11.599 -3.839 14 1HD LYS 2 1HD LYS 2 9.302 -11.954 -1.380 15 2HD LYS 2 2HD LYS 2 8.309 -13.367 -1.744 16 1HE LYS 2 1HE LYS 2 10.794 -13.511 -3.226 17 2HE LYS 2 2HE LYS 2 11.119 -13.314 -1.492 18 1HZ LYS 2 1HZ LYS 2 9.258 -15.007 -1.186 19 2HZ LYS 2 2HZ LYS 2 9.474 -15.376 -2.830 20 3HZ LYS 2 3HZ LYS 2 10.754 -15.593 -1.739 21 H VAL 3 H VAL 3 8.295 -7.983 -2.570 22 HA VAL 3 HA VAL 3 5.485 -7.097 -2.688 23 HB VAL 3 HB VAL 3 7.801 -6.066 -1.111 24 1HG1 VAL 3 1HG1 VAL 3 5.199 -4.683 -1.837 25 2HG1 VAL 3 2HG1 VAL 3 6.236 -4.167 -0.498 26 3HG1 VAL 3 3HG1 VAL 3 6.855 -4.089 -2.170 27 1HG2 VAL 3 1HG2 VAL 3 5.723 -7.794 -0.642 28 2HG2 VAL 3 2HG2 VAL 3 6.630 -6.942 0.597 29 3HG2 VAL 3 3HG2 VAL 3 5.113 -6.271 0.002 30 H VAL 4 H VAL 4 5.014 -5.774 -4.314 31 HA VAL 4 HA VAL 4 7.261 -4.324 -5.614 32 HB VAL 4 HB VAL 4 5.307 -6.127 -7.028 33 1HG1 VAL 4 1HG1 VAL 4 6.927 -3.952 -7.952 34 2HG1 VAL 4 2HG1 VAL 4 7.555 -5.458 -8.622 35 3HG1 VAL 4 3HG1 VAL 4 5.872 -5.005 -8.895 36 1HG2 VAL 4 1HG2 VAL 4 8.266 -6.425 -6.493 37 2HG2 VAL 4 2HG2 VAL 4 6.980 -7.363 -5.731 38 3HG2 VAL 4 3HG2 VAL 4 7.289 -7.531 -7.460 39 H TYR 5 H TYR 5 6.275 -2.414 -4.760 40 HA TYR 5 HA TYR 5 3.542 -1.648 -5.138 41 1HB TYR 5 1HB TYR 5 6.015 0.084 -4.882 42 2HB TYR 5 2HB TYR 5 4.372 0.539 -4.468 43 HD1 TYR 5 HD1 TYR 5 7.230 -1.688 -3.482 44 HD2 TYR 5 HD2 TYR 5 3.404 -0.031 -2.387 45 HE1 TYR 5 HE1 TYR 5 7.580 -2.411 -1.207 46 HE2 TYR 5 HE2 TYR 5 3.782 -0.781 -0.075 47 HH TYR 5 HH TYR 5 6.689 -2.668 0.808 48 H VAL 6 H VAL 6 2.617 -0.685 -6.960 49 HA VAL 6 HA VAL 6 4.413 -0.297 -9.294 50 HB VAL 6 HB VAL 6 1.405 -0.429 -8.977 51 1HG1 VAL 6 1HG1 VAL 6 3.249 -0.126 -11.313 52 2HG1 VAL 6 2HG1 VAL 6 1.732 -1.002 -11.513 53 3HG1 VAL 6 3HG1 VAL 6 1.716 0.682 -10.992 54 1HG2 VAL 6 1HG2 VAL 6 3.470 -2.465 -9.832 55 2HG2 VAL 6 2HG2 VAL 6 2.469 -2.541 -8.375 56 3HG2 VAL 6 3HG2 VAL 6 1.727 -2.695 -9.975 57 H SER 7 H SER 7 3.879 1.677 -10.653 58 HA SER 7 HA SER 7 3.482 4.019 -8.864 59 1HB SER 7 1HB SER 7 4.606 5.212 -10.722 60 2HB SER 7 2HB SER 7 5.542 3.813 -10.217 61 HG SER 7 HG SER 7 4.420 4.357 -12.605 62 H HIS 8 H HIS 8 2.769 5.776 -11.054 63 HA HIS 8 HA HIS 8 -0.093 5.026 -11.296 64 1HB HIS 8 1HB HIS 8 0.793 7.512 -12.591 65 2HB HIS 8 2HB HIS 8 -0.436 7.281 -11.365 66 HD1 HIS 8 HD1 HIS 8 1.381 6.126 -9.113 67 HD2 HIS 8 HD2 HIS 8 2.332 9.493 -11.370 68 HE1 HIS 8 HE1 HIS 8 2.994 7.492 -7.716 69 H ASP 9 H ASP 9 2.832 5.383 -13.155 70 HA ASP 9 HA ASP 9 1.454 4.889 -15.728 71 1HB ASP 9 1HB ASP 9 3.660 5.346 -16.654 72 2HB ASP 9 2HB ASP 9 3.324 6.551 -15.410 73 H GLY 10 H GLY 10 2.679 3.074 -13.173 74 1HA GLY 10 1HA GLY 10 2.366 0.603 -13.346 75 2HA GLY 10 2HA GLY 10 3.074 0.707 -14.960 76 H THR 11 H THR 11 5.150 2.692 -13.870 77 HA THR 11 HA THR 11 7.251 0.904 -13.426 78 HB THR 11 HB THR 11 6.760 3.723 -13.381 79 HG1 THR 11 HG1 THR 11 9.085 2.134 -13.551 80 1HG2 THR 11 1HG2 THR 11 8.332 2.589 -11.088 81 2HG2 THR 11 2HG2 THR 11 8.761 4.166 -11.764 82 3HG2 THR 11 3HG2 THR 11 7.158 3.914 -11.065 83 H ARG 12 H ARG 12 7.761 -0.295 -11.722 84 HA ARG 12 HA ARG 12 6.384 0.218 -9.115 85 1HB ARG 12 1HB ARG 12 7.284 -2.516 -9.954 86 2HB ARG 12 2HB ARG 12 5.908 -2.056 -8.955 87 1HG ARG 12 1HG ARG 12 4.703 -1.235 -10.905 88 2HG ARG 12 2HG ARG 12 6.103 -1.534 -11.936 89 1HD ARG 12 1HD ARG 12 5.265 -3.897 -10.383 90 2HD ARG 12 2HD ARG 12 4.058 -3.336 -11.558 91 HE ARG 12 HE ARG 12 6.350 -3.196 -13.028 92 1HH1 ARG 12 1HH1 ARG 12 4.651 -5.617 -11.288 93 2HH1 ARG 12 2HH1 ARG 12 5.521 -6.936 -11.997 94 1HH2 ARG 12 1HH2 ARG 12 7.654 -4.896 -13.818 95 2HH2 ARG 12 2HH2 ARG 12 7.221 -6.528 -13.429 96 H ARG 13 H ARG 13 7.556 -1.410 -7.435 97 HA ARG 13 HA ARG 13 10.513 -1.065 -7.515 98 1HB ARG 13 1HB ARG 13 9.617 -0.872 -4.835 99 2HB ARG 13 2HB ARG 13 10.302 0.435 -5.796 100 1HG ARG 13 1HG ARG 13 7.385 -0.229 -6.052 101 2HG ARG 13 2HG ARG 13 7.942 0.714 -4.674 102 1HD ARG 13 1HD ARG 13 8.839 2.436 -6.105 103 2HD ARG 13 2HD ARG 13 8.590 1.439 -7.551 104 HE ARG 13 HE ARG 13 6.072 1.549 -6.421 105 1HH1 ARG 13 1HH1 ARG 13 7.784 4.228 -5.741 106 2HH1 ARG 13 2HH1 ARG 13 6.937 5.312 -6.794 107 1HH2 ARG 13 1HH2 ARG 13 5.252 2.790 -8.473 108 2HH2 ARG 13 2HH2 ARG 13 5.503 4.499 -8.340 109 H GLU 14 H GLU 14 11.207 -2.556 -5.366 110 HA GLU 14 HA GLU 14 9.277 -4.777 -5.127 111 1HB GLU 14 1HB GLU 14 12.077 -5.118 -6.285 112 2HB GLU 14 2HB GLU 14 10.933 -6.424 -5.974 113 1HG GLU 14 1HG GLU 14 9.308 -5.248 -7.511 114 2HG GLU 14 2HG GLU 14 10.614 -4.141 -7.939 115 H LEU 15 H LEU 15 9.247 -4.913 -2.915 116 HA LEU 15 HA LEU 15 11.787 -4.776 -1.349 117 1HB LEU 15 1HB LEU 15 8.872 -4.715 -0.529 118 2HB LEU 15 2HB LEU 15 10.239 -4.349 0.507 119 HG LEU 15 HG LEU 15 9.057 -2.791 -1.714 120 1HD1 LEU 15 1HD1 LEU 15 9.024 -2.672 1.050 121 2HD1 LEU 15 2HD1 LEU 15 10.222 -1.452 0.605 122 3HD1 LEU 15 3HD1 LEU 15 8.576 -1.354 -0.032 123 1HD2 LEU 15 1HD2 LEU 15 11.919 -2.969 -1.028 124 2HD2 LEU 15 2HD2 LEU 15 11.140 -2.447 -2.523 125 3HD2 LEU 15 3HD2 LEU 15 11.260 -1.337 -1.157 126 H ASP 16 H ASP 16 11.297 -6.095 0.784 127 HA ASP 16 HA ASP 16 10.204 -8.777 0.175 128 1HB ASP 16 1HB ASP 16 12.286 -9.426 1.663 129 2HB ASP 16 2HB ASP 16 12.529 -9.130 -0.051 130 H VAL 17 H VAL 17 8.469 -7.357 1.427 131 HA VAL 17 HA VAL 17 9.097 -6.904 4.302 132 HB VAL 17 HB VAL 17 6.381 -6.636 3.028 133 1HG1 VAL 17 1HG1 VAL 17 7.818 -5.711 5.306 134 2HG1 VAL 17 2HG1 VAL 17 7.231 -4.346 4.357 135 3HG1 VAL 17 3HG1 VAL 17 6.097 -5.566 4.932 136 1HG2 VAL 17 1HG2 VAL 17 8.861 -5.054 2.352 137 2HG2 VAL 17 2HG2 VAL 17 7.642 -5.675 1.249 138 3HG2 VAL 17 3HG2 VAL 17 7.270 -4.304 2.286 139 H ALA 18 H ALA 18 8.774 -8.365 5.800 140 HA ALA 18 HA ALA 18 7.567 -10.979 5.183 141 1HB ALA 18 1HB ALA 18 9.662 -10.116 6.661 142 2HB ALA 18 2HB ALA 18 8.414 -10.222 7.911 143 3HB ALA 18 3HB ALA 18 8.838 -11.651 6.959 144 H ASP 19 H ASP 19 6.373 -11.965 7.091 145 HA ASP 19 HA ASP 19 3.795 -10.907 7.468 146 1HB ASP 19 1HB ASP 19 4.202 -12.368 9.713 147 2HB ASP 19 2HB ASP 19 3.852 -13.108 8.166 148 H GLY 20 H GLY 20 3.082 -9.367 8.658 149 1HA GLY 20 1HA GLY 20 2.883 -8.091 10.704 150 2HA GLY 20 2HA GLY 20 4.509 -8.593 11.138 151 H VAL 21 H VAL 21 5.417 -7.629 8.236 152 HA VAL 21 HA VAL 21 5.949 -4.914 9.235 153 HB VAL 21 HB VAL 21 6.568 -6.205 6.577 154 1HG1 VAL 21 1HG1 VAL 21 7.321 -3.607 7.851 155 2HG1 VAL 21 2HG1 VAL 21 8.301 -4.337 6.575 156 3HG1 VAL 21 3HG1 VAL 21 6.623 -3.907 6.254 157 1HG2 VAL 21 1HG2 VAL 21 7.662 -7.197 8.678 158 2HG2 VAL 21 2HG2 VAL 21 8.730 -6.677 7.358 159 3HG2 VAL 21 3HG2 VAL 21 8.505 -5.649 8.790 160 H SER 22 H SER 22 5.245 -3.050 8.210 161 HA SER 22 HA SER 22 2.772 -3.377 6.558 162 1HB SER 22 1HB SER 22 3.107 -0.693 7.036 163 2HB SER 22 2HB SER 22 2.242 -1.776 8.123 164 HG SER 22 HG SER 22 4.480 -0.418 8.568 165 H LEU 23 H LEU 23 3.110 -3.203 4.276 166 HA LEU 23 HA LEU 23 5.561 -2.771 3.040 167 1HB LEU 23 1HB LEU 23 2.712 -2.104 2.359 168 2HB LEU 23 2HB LEU 23 3.991 -1.803 1.223 169 HG LEU 23 HG LEU 23 2.873 -4.394 2.122 170 1HD1 LEU 23 1HD1 LEU 23 2.405 -3.456 -0.056 171 2HD1 LEU 23 2HD1 LEU 23 4.129 -3.431 -0.420 172 3HD1 LEU 23 3HD1 LEU 23 3.297 -4.969 -0.195 173 1HD2 LEU 23 1HD2 LEU 23 5.244 -4.500 2.917 174 2HD2 LEU 23 2HD2 LEU 23 4.884 -5.648 1.641 175 3HD2 LEU 23 3HD2 LEU 23 5.757 -4.169 1.266 176 H MET 24 H MET 24 3.477 -0.441 4.555 177 HA MET 24 HA MET 24 4.630 1.890 3.331 178 1HB MET 24 1HB MET 24 2.691 2.555 4.277 179 2HB MET 24 2HB MET 24 2.624 1.067 5.215 180 1HG MET 24 1HG MET 24 2.676 2.747 6.872 181 2HG MET 24 2HG MET 24 4.367 2.270 6.767 182 1HE MET 24 1HE MET 24 5.325 3.832 7.668 183 2HE MET 24 2HE MET 24 6.304 4.526 6.374 184 3HE MET 24 3HE MET 24 5.318 5.579 7.388 185 H GLN 25 H GLN 25 5.757 -0.354 5.551 186 HA GLN 25 HA GLN 25 7.725 1.492 6.802 187 1HB GLN 25 1HB GLN 25 6.804 0.084 8.429 188 2HB GLN 25 2HB GLN 25 6.583 -1.241 7.288 189 1HG GLN 25 1HG GLN 25 8.711 -2.037 7.594 190 2HG GLN 25 2HG GLN 25 9.392 -0.423 7.804 191 1HE2 GLN 25 2HE2 GLN 25 6.684 -1.941 9.619 192 2HE2 GLN 25 1HE2 GLN 25 7.444 -1.841 11.134 193 H ALA 26 H ALA 26 7.747 -1.839 5.334 194 HA ALA 26 HA ALA 26 10.464 -1.945 4.647 195 1HB ALA 26 1HB ALA 26 7.952 -2.898 3.260 196 2HB ALA 26 2HB ALA 26 9.558 -3.354 2.697 197 3HB ALA 26 3HB ALA 26 9.024 -3.825 4.312 198 H ALA 27 H ALA 27 7.887 -0.756 2.381 199 HA ALA 27 HA ALA 27 9.490 0.219 0.302 200 1HB ALA 27 1HB ALA 27 6.952 1.249 1.586 201 2HB ALA 27 2HB ALA 27 7.594 1.925 0.088 202 3HB ALA 27 3HB ALA 27 7.101 0.232 0.153 203 H VAL 28 H VAL 28 8.444 2.106 3.150 204 HA VAL 28 HA VAL 28 10.086 4.393 2.534 205 HB VAL 28 HB VAL 28 8.130 3.490 4.425 206 1HG1 VAL 28 1HG1 VAL 28 10.131 3.152 5.937 207 2HG1 VAL 28 2HG1 VAL 28 10.469 4.876 5.779 208 3HG1 VAL 28 3HG1 VAL 28 8.967 4.336 6.529 209 1HG2 VAL 28 1HG2 VAL 28 9.058 5.887 3.155 210 2HG2 VAL 28 2HG2 VAL 28 7.498 5.588 3.921 211 3HG2 VAL 28 3HG2 VAL 28 8.842 6.217 4.874 212 H SER 29 H SER 29 10.981 1.290 3.403 213 HA SER 29 HA SER 29 13.391 2.092 4.952 214 1HB SER 29 1HB SER 29 12.769 0.194 6.007 215 2HB SER 29 2HB SER 29 11.497 -0.011 4.812 216 HG SER 29 HG SER 29 13.854 -1.324 5.077 217 H ASN 30 H ASN 30 12.303 0.827 1.878 218 HA ASN 30 HA ASN 30 15.028 0.111 0.999 219 1HB ASN 30 1HB ASN 30 12.212 -0.101 -0.120 220 2HB ASN 30 2HB ASN 30 13.630 -0.692 -0.960 221 1HD2 ASN 30 2HD2 ASN 30 12.066 -0.980 2.251 222 2HD2 ASN 30 1HD2 ASN 30 12.440 -2.622 2.461 223 H GLY 31 H GLY 31 13.259 2.822 1.397 224 1HA GLY 31 1HA GLY 31 13.748 4.994 0.517 225 2HA GLY 31 2HA GLY 31 14.690 4.241 -0.771 226 H ILE 32 H ILE 32 11.686 2.747 -0.373 227 HA ILE 32 HA ILE 32 10.737 3.631 -2.957 228 HB ILE 32 HB ILE 32 9.685 1.966 -0.677 229 1HG1 ILE 32 1HG1 ILE 32 10.725 1.426 -3.466 230 2HG1 ILE 32 2HG1 ILE 32 11.451 0.939 -1.934 231 1HG2 ILE 32 1HG2 ILE 32 7.904 3.243 -2.189 232 2HG2 ILE 32 2HG2 ILE 32 8.316 1.967 -3.336 233 3HG2 ILE 32 3HG2 ILE 32 7.677 1.551 -1.744 234 1HD1 ILE 32 1HD1 ILE 32 8.736 0.020 -2.903 235 2HD1 ILE 32 2HD1 ILE 32 10.222 -0.917 -3.069 236 3HD1 ILE 32 3HD1 ILE 32 9.593 -0.539 -1.466 237 H TYR 33 H TYR 33 9.397 3.968 0.286 238 HA TYR 33 HA TYR 33 7.570 6.116 -0.513 239 1HB TYR 33 1HB TYR 33 8.273 4.551 1.945 240 2HB TYR 33 2HB TYR 33 7.331 6.031 2.116 241 HD1 TYR 33 HD1 TYR 33 6.780 4.688 -1.115 242 HD2 TYR 33 HD2 TYR 33 5.679 4.139 3.004 243 HE1 TYR 33 HE1 TYR 33 4.747 3.517 -1.822 244 HE2 TYR 33 HE2 TYR 33 3.641 2.941 2.286 245 HH TYR 33 HH TYR 33 3.165 1.653 -0.605 246 H ASP 34 H ASP 34 10.531 6.649 -0.767 247 HA ASP 34 HA ASP 34 11.100 8.601 1.367 248 1HB ASP 34 1HB ASP 34 13.255 8.729 0.246 249 2HB ASP 34 2HB ASP 34 12.776 7.033 0.323 250 H ILE 35 H ILE 35 8.808 9.031 -0.555 251 HA ILE 35 HA ILE 35 9.772 11.477 -1.986 252 HB ILE 35 HB ILE 35 7.322 9.707 -2.252 253 1HG1 ILE 35 1HG1 ILE 35 9.542 10.240 -4.241 254 2HG1 ILE 35 2HG1 ILE 35 9.601 8.904 -3.091 255 1HG2 ILE 35 1HG2 ILE 35 6.980 12.203 -2.726 256 2HG2 ILE 35 2HG2 ILE 35 8.110 11.996 -4.064 257 3HG2 ILE 35 3HG2 ILE 35 6.592 11.098 -4.045 258 1HD1 ILE 35 1HD1 ILE 35 7.124 8.511 -4.075 259 2HD1 ILE 35 2HD1 ILE 35 7.870 9.269 -5.482 260 3HD1 ILE 35 3HD1 ILE 35 8.559 7.793 -4.806 261 H VAL 36 H VAL 36 7.055 10.306 0.037 262 HA VAL 36 HA VAL 36 6.607 13.148 0.893 263 HB VAL 36 HB VAL 36 4.237 12.406 1.177 264 1HG1 VAL 36 1HG1 VAL 36 5.553 11.971 -1.517 265 2HG1 VAL 36 2HG1 VAL 36 3.804 12.033 -1.297 266 3HG1 VAL 36 3HG1 VAL 36 4.792 13.446 -0.919 267 1HG2 VAL 36 1HG2 VAL 36 5.476 9.834 0.929 268 2HG2 VAL 36 2HG2 VAL 36 3.787 10.202 1.276 269 3HG2 VAL 36 3HG2 VAL 36 4.326 10.023 -0.394 270 H GLY 37 H GLY 37 5.406 13.133 3.131 271 1HA GLY 37 1HA GLY 37 6.894 11.256 4.910 272 2HA GLY 37 2HA GLY 37 6.269 12.830 5.404 273 H ASP 38 H ASP 38 5.763 9.910 6.304 274 HA ASP 38 HA ASP 38 2.797 9.841 5.941 275 1HB ASP 38 1HB ASP 38 4.944 7.858 6.699 276 2HB ASP 38 2HB ASP 38 3.238 7.500 6.971 277 H CYS 39 H CYS 39 1.718 8.855 8.049 278 HA CYS 39 HA CYS 39 2.366 10.703 10.259 279 1HB CYS 39 1HB CYS 39 0.224 9.784 11.152 280 2HB CYS 39 2HB CYS 39 0.057 10.370 9.497 281 H GLY 40 H GLY 40 4.099 8.276 9.548 282 1HA GLY 40 1HA GLY 40 5.225 6.557 10.686 283 2HA GLY 40 2HA GLY 40 4.923 7.529 12.127 284 H GLY 41 H GLY 41 2.218 6.379 10.265 285 1HA GLY 41 1HA GLY 41 0.831 4.463 10.634 286 2HA GLY 41 2HA GLY 41 1.832 4.036 12.023 287 H SER 42 H SER 42 1.055 7.325 12.050 288 HA SER 42 HA SER 42 -0.702 6.971 14.371 289 1HB SER 42 1HB SER 42 1.152 8.761 13.764 290 2HB SER 42 2HB SER 42 -0.190 9.575 12.966 291 HG SER 42 HG SER 42 -0.818 10.182 14.868 292 H ALA 43 H ALA 43 -1.357 6.574 11.217 293 HA ALA 43 HA ALA 43 -3.264 6.903 9.845 294 1HB ALA 43 1HB ALA 43 -3.876 5.487 11.941 295 2HB ALA 43 2HB ALA 43 -4.718 6.937 12.488 296 3HB ALA 43 3HB ALA 43 -5.196 6.155 10.981 297 H SER 44 H SER 44 -2.083 9.345 10.113 298 HA SER 44 HA SER 44 -4.423 11.168 10.479 299 1HB SER 44 1HB SER 44 -1.753 12.130 11.354 300 2HB SER 44 2HB SER 44 -3.335 12.411 12.074 301 HG SER 44 HG SER 44 -1.854 10.999 13.268 302 H CYS 45 H CYS 45 -2.725 9.996 8.166 303 HA CYS 45 HA CYS 45 -2.200 12.634 6.858 304 1HB CYS 45 1HB CYS 45 -0.041 11.996 6.281 305 2HB CYS 45 2HB CYS 45 -0.203 11.162 7.821 306 H ALA 46 H ALA 46 -1.684 11.975 4.347 307 HA ALA 46 HA ALA 46 -3.549 9.836 3.456 308 1HB ALA 46 1HB ALA 46 -4.762 12.033 3.793 309 2HB ALA 46 2HB ALA 46 -3.740 12.715 2.528 310 3HB ALA 46 3HB ALA 46 -4.851 11.399 2.149 311 H THR 47 H THR 47 -0.549 11.047 3.241 312 HA THR 47 HA THR 47 -0.183 11.226 0.347 313 HB THR 47 HB THR 47 1.155 12.354 2.210 314 HG1 THR 47 HG1 THR 47 1.830 11.833 -0.081 315 1HG2 THR 47 1HG2 THR 47 2.210 9.526 2.445 316 2HG2 THR 47 2HG2 THR 47 3.029 10.937 3.116 317 3HG2 THR 47 3HG2 THR 47 1.432 10.479 3.708 318 H CYS 48 H CYS 48 -0.418 8.685 2.635 319 HA CYS 48 HA CYS 48 1.195 6.755 1.084 320 1HB CYS 48 1HB CYS 48 0.467 5.248 2.935 321 2HB CYS 48 2HB CYS 48 1.183 6.743 3.537 322 H HIS 49 H HIS 49 -1.331 8.051 -0.019 323 HA HIS 49 HA HIS 49 -3.425 6.053 -0.112 324 1HB HIS 49 1HB HIS 49 -3.937 8.355 -0.553 325 2HB HIS 49 2HB HIS 49 -2.624 8.497 -1.718 326 HD1 HIS 49 HD1 HIS 49 -5.306 5.818 -1.575 327 HD2 HIS 49 HD2 HIS 49 -4.021 8.836 -4.099 328 HE1 HIS 49 HE1 HIS 49 -6.647 5.574 -3.665 329 H VAL 50 H VAL 50 -3.344 4.141 -1.223 330 HA VAL 50 HA VAL 50 -1.944 4.082 -3.825 331 HB VAL 50 HB VAL 50 -0.238 2.710 -3.178 332 1HG1 VAL 50 1HG1 VAL 50 -0.192 4.582 -1.499 333 2HG1 VAL 50 2HG1 VAL 50 -1.053 3.525 -0.379 334 3HG1 VAL 50 3HG1 VAL 50 0.564 3.094 -0.930 335 1HG2 VAL 50 1HG2 VAL 50 -2.372 1.431 -1.493 336 2HG2 VAL 50 2HG2 VAL 50 -1.398 0.722 -2.795 337 3HG2 VAL 50 3HG2 VAL 50 -0.665 1.028 -1.206 338 H TYR 51 H TYR 51 -2.082 1.476 -4.428 339 HA TYR 51 HA TYR 51 -4.821 0.541 -3.757 340 1HB TYR 51 1HB TYR 51 -3.521 1.155 -6.377 341 2HB TYR 51 2HB TYR 51 -4.941 0.136 -6.258 342 HD1 TYR 51 HD1 TYR 51 -7.086 1.022 -5.474 343 HD2 TYR 51 HD2 TYR 51 -3.628 3.543 -5.814 344 HE1 TYR 51 HE1 TYR 51 -8.473 2.998 -5.182 345 HE2 TYR 51 HE2 TYR 51 -5.067 5.532 -5.624 346 HH TYR 51 HH TYR 51 -7.312 6.190 -5.915 347 H VAL 52 H VAL 52 -4.248 -1.392 -2.805 348 HA VAL 52 HA VAL 52 -2.009 -2.982 -3.732 349 HB VAL 52 HB VAL 52 -4.281 -3.766 -1.883 350 1HG1 VAL 52 1HG1 VAL 52 -2.174 -5.226 -2.680 351 2HG1 VAL 52 2HG1 VAL 52 -1.470 -4.429 -1.274 352 3HG1 VAL 52 3HG1 VAL 52 -2.934 -5.404 -1.095 353 1HG2 VAL 52 1HG2 VAL 52 -3.145 -1.431 -1.413 354 2HG2 VAL 52 2HG2 VAL 52 -3.440 -2.573 -0.098 355 3HG2 VAL 52 3HG2 VAL 52 -1.826 -2.434 -0.797 356 H ASN 53 H ASN 53 -2.167 -4.652 -5.267 357 HA ASN 53 HA ASN 53 -4.300 -5.109 -6.975 358 1HB ASN 53 1HB ASN 53 -3.389 -7.582 -6.822 359 2HB ASN 53 2HB ASN 53 -2.361 -6.317 -7.488 360 1HD2 ASN 53 2HD2 ASN 53 -3.033 -6.335 -4.054 361 2HD2 ASN 53 1HD2 ASN 53 -1.516 -6.890 -3.619 362 H GLU 54 H GLU 54 -6.001 -6.820 -6.942 363 HA GLU 54 HA GLU 54 -7.396 -6.949 -4.403 364 1HB GLU 54 1HB GLU 54 -8.868 -8.523 -5.801 365 2HB GLU 54 2HB GLU 54 -8.665 -6.887 -6.428 366 1HG GLU 54 1HG GLU 54 -7.233 -7.573 -8.134 367 2HG GLU 54 2HG GLU 54 -6.754 -9.040 -7.280 368 H ALA 55 H ALA 55 -4.696 -8.616 -5.436 369 HA ALA 55 HA ALA 55 -5.512 -11.194 -4.195 370 1HB ALA 55 1HB ALA 55 -3.785 -10.325 -6.323 371 2HB ALA 55 2HB ALA 55 -2.809 -11.189 -5.133 372 3HB ALA 55 3HB ALA 55 -4.207 -11.976 -5.869 373 H PHE 56 H PHE 56 -4.374 -8.360 -3.032 374 HA PHE 56 HA PHE 56 -2.965 -9.761 -0.802 375 1HB PHE 56 1HB PHE 56 -1.981 -7.308 -2.256 376 2HB PHE 56 2HB PHE 56 -1.238 -7.985 -0.825 377 HD1 PHE 56 HD1 PHE 56 -2.156 -8.832 -4.391 378 HD2 PHE 56 HD2 PHE 56 0.276 -9.786 -0.934 379 HE1 PHE 56 HE1 PHE 56 -0.906 -10.511 -5.706 380 HE2 PHE 56 HE2 PHE 56 1.421 -11.517 -2.227 381 HZ PHE 56 HZ PHE 56 0.871 -11.861 -4.638 382 H THR 57 H THR 57 -5.464 -7.898 -1.704 383 HA THR 57 HA THR 57 -5.295 -5.944 0.528 384 HB THR 57 HB THR 57 -7.382 -5.112 -0.442 385 HG1 THR 57 HG1 THR 57 -7.443 -7.116 -2.370 386 1HG2 THR 57 1HG2 THR 57 -5.022 -5.602 -2.052 387 2HG2 THR 57 2HG2 THR 57 -6.471 -5.521 -3.056 388 3HG2 THR 57 3HG2 THR 57 -6.060 -4.176 -1.993 389 H ASP 58 H ASP 58 -7.020 -8.839 -0.539 390 HA ASP 58 HA ASP 58 -8.537 -9.023 1.990 391 1HB ASP 58 1HB ASP 58 -10.095 -9.699 0.478 392 2HB ASP 58 2HB ASP 58 -8.885 -9.638 -0.801 393 H LYS 59 H LYS 59 -5.628 -10.023 0.846 394 HA LYS 59 HA LYS 59 -5.594 -12.701 2.156 395 1HB LYS 59 1HB LYS 59 -3.357 -11.238 0.805 396 2HB LYS 59 2HB LYS 59 -3.664 -12.980 0.853 397 1HG LYS 59 1HG LYS 59 -5.947 -11.973 -0.370 398 2HG LYS 59 2HG LYS 59 -4.665 -10.967 -1.050 399 1HD LYS 59 1HD LYS 59 -4.975 -12.973 -2.431 400 2HD LYS 59 2HD LYS 59 -3.407 -13.052 -1.627 401 1HE LYS 59 1HE LYS 59 -4.967 -14.280 0.243 402 2HE LYS 59 2HE LYS 59 -5.797 -14.766 -1.250 403 1HZ LYS 59 1HZ LYS 59 -3.573 -15.313 -2.174 404 2HZ LYS 59 2HZ LYS 59 -2.902 -15.045 -0.640 405 3HZ LYS 59 3HZ LYS 59 -4.023 -16.300 -0.868 406 H VAL 60 H VAL 60 -3.987 -9.639 1.995 407 HA VAL 60 HA VAL 60 -2.429 -9.950 4.422 408 HB VAL 60 HB VAL 60 -2.653 -8.462 1.994 409 1HG1 VAL 60 1HG1 VAL 60 -3.141 -6.787 4.284 410 2HG1 VAL 60 2HG1 VAL 60 -1.662 -6.334 3.451 411 3HG1 VAL 60 3HG1 VAL 60 -3.195 -6.396 2.571 412 1HG2 VAL 60 1HG2 VAL 60 -0.670 -9.259 3.904 413 2HG2 VAL 60 2HG2 VAL 60 -0.633 -9.213 2.139 414 3HG2 VAL 60 3HG2 VAL 60 -0.292 -7.749 3.069 415 HA PRO 61 HA PRO 61 -5.469 -8.289 7.092 416 1HB PRO 61 1HB PRO 61 -4.307 -6.280 8.543 417 2HB PRO 61 2HB PRO 61 -3.948 -8.001 8.776 418 1HG PRO 61 1HG PRO 61 -2.371 -5.909 7.423 419 2HG PRO 61 2HG PRO 61 -1.837 -7.352 8.293 420 1HD PRO 61 1HD PRO 61 -1.934 -7.058 5.532 421 2HD PRO 61 2HD PRO 61 -1.809 -8.597 6.371 422 H ALA 62 H ALA 62 -6.945 -7.505 5.754 423 HA ALA 62 HA ALA 62 -7.053 -4.985 4.430 424 1HB ALA 62 1HB ALA 62 -8.586 -7.393 4.893 425 2HB ALA 62 2HB ALA 62 -9.631 -5.973 4.958 426 3HB ALA 62 3HB ALA 62 -8.659 -6.285 3.520 427 H ALA 63 H ALA 63 -6.242 -3.983 6.566 428 HA ALA 63 HA ALA 63 -7.512 -3.537 8.929 429 1HB ALA 63 1HB ALA 63 -6.203 -1.674 6.968 430 2HB ALA 63 2HB ALA 63 -6.876 -1.018 8.458 431 3HB ALA 63 3HB ALA 63 -5.606 -2.240 8.527 432 H ASN 64 H ASN 64 -9.261 -2.172 9.697 433 HA ASN 64 HA ASN 64 -11.478 -1.948 7.771 434 1HB ASN 64 1HB ASN 64 -12.819 -1.775 9.713 435 2HB ASN 64 2HB ASN 64 -11.515 -2.859 10.176 436 1HD2 ASN 64 2HD2 ASN 64 -9.600 -0.440 10.268 437 2HD2 ASN 64 1HD2 ASN 64 -9.969 0.312 11.742 438 H GLU 65 H GLU 65 -12.715 0.199 9.340 439 HA GLU 65 HA GLU 65 -12.677 2.428 7.877 440 1HB GLU 65 1HB GLU 65 -13.220 3.650 9.866 441 2HB GLU 65 2HB GLU 65 -13.729 1.986 10.154 442 1HG GLU 65 1HG GLU 65 -11.509 1.583 11.278 443 2HG GLU 65 2HG GLU 65 -11.193 3.313 11.145 444 H ARG 66 H ARG 66 -9.944 1.641 10.054 445 HA ARG 66 HA ARG 66 -8.483 4.044 9.861 446 1HB ARG 66 1HB ARG 66 -8.076 1.249 10.527 447 2HB ARG 66 2HB ARG 66 -6.661 1.889 9.691 448 1HG ARG 66 1HG ARG 66 -7.965 2.991 12.191 449 2HG ARG 66 2HG ARG 66 -6.346 2.307 12.041 450 1HD ARG 66 1HD ARG 66 -5.669 4.466 11.756 451 2HD ARG 66 2HD ARG 66 -6.345 4.315 10.122 452 HE ARG 66 HE ARG 66 -8.580 4.915 11.526 453 1HH1 ARG 66 1HH1 ARG 66 -6.976 6.026 13.766 454 2HH1 ARG 66 2HH1 ARG 66 -6.793 7.687 13.312 455 1HH2 ARG 66 1HH2 ARG 66 -7.667 7.153 9.999 456 2HH2 ARG 66 2HH2 ARG 66 -7.183 8.325 11.179 457 H GLU 67 H GLU 67 -7.684 1.159 7.939 458 HA GLU 67 HA GLU 67 -6.262 2.520 5.881 459 1HB GLU 67 1HB GLU 67 -5.848 0.318 5.514 460 2HB GLU 67 2HB GLU 67 -7.114 -0.098 6.662 461 1HG GLU 67 1HG GLU 67 -8.748 0.296 4.697 462 2HG GLU 67 2HG GLU 67 -7.320 0.184 3.672 463 H ILE 68 H ILE 68 -9.690 1.805 6.307 464 HA ILE 68 HA ILE 68 -10.460 2.588 3.609 465 HB ILE 68 HB ILE 68 -11.741 1.796 6.190 466 1HG1 ILE 68 1HG1 ILE 68 -12.951 0.327 4.404 467 2HG1 ILE 68 2HG1 ILE 68 -11.669 0.890 3.321 468 1HG2 ILE 68 1HG2 ILE 68 -13.084 3.332 3.968 469 2HG2 ILE 68 2HG2 ILE 68 -13.988 2.145 4.910 470 3HG2 ILE 68 3HG2 ILE 68 -13.258 3.536 5.711 471 1HD1 ILE 68 1HD1 ILE 68 -10.340 0.165 5.678 472 2HD1 ILE 68 2HD1 ILE 68 -11.548 -1.099 5.448 473 3HD1 ILE 68 3HD1 ILE 68 -10.378 -0.755 4.174 474 H GLY 69 H GLY 69 -9.604 4.358 6.412 475 1HA GLY 69 1HA GLY 69 -11.367 6.639 5.767 476 2HA GLY 69 2HA GLY 69 -10.236 6.569 7.112 477 H MET 70 H MET 70 -7.879 6.774 6.551 478 HA MET 70 HA MET 70 -7.204 9.014 5.062 479 1HB MET 70 1HB MET 70 -4.951 7.759 4.795 480 2HB MET 70 2HB MET 70 -5.562 7.974 6.435 481 1HG MET 70 1HG MET 70 -6.678 5.569 5.316 482 2HG MET 70 2HG MET 70 -4.928 5.542 5.136 483 1HE MET 70 1HE MET 70 -4.859 3.694 6.136 484 2HE MET 70 2HE MET 70 -3.981 3.791 7.674 485 3HE MET 70 3HE MET 70 -5.642 3.186 7.636 486 H LEU 71 H LEU 71 -7.905 5.785 3.922 487 HA LEU 71 HA LEU 71 -7.079 6.168 1.141 488 1HB LEU 71 1HB LEU 71 -7.237 4.003 2.374 489 2HB LEU 71 2HB LEU 71 -8.963 4.256 2.502 490 HG LEU 71 HG LEU 71 -7.862 2.809 0.544 491 1HD1 LEU 71 1HD1 LEU 71 -10.346 4.466 0.739 492 2HD1 LEU 71 2HD1 LEU 71 -10.019 3.599 -0.762 493 3HD1 LEU 71 3HD1 LEU 71 -10.177 2.709 0.760 494 1HD2 LEU 71 1HD2 LEU 71 -8.117 5.613 -0.519 495 2HD2 LEU 71 2HD2 LEU 71 -6.652 4.646 -0.479 496 3HD2 LEU 71 3HD2 LEU 71 -7.980 4.186 -1.554 497 H GLU 72 H GLU 72 -10.202 6.042 2.871 498 HA GLU 72 HA GLU 72 -11.893 6.765 0.696 499 1HB GLU 72 1HB GLU 72 -12.959 5.972 2.627 500 2HB GLU 72 2HB GLU 72 -11.905 6.892 3.698 501 1HG GLU 72 1HG GLU 72 -14.112 7.872 3.778 502 2HG GLU 72 2HG GLU 72 -13.034 8.985 2.939 503 H CYS 73 H CYS 73 -9.674 8.599 2.657 504 HA CYS 73 HA CYS 73 -10.803 11.235 2.074 505 1HB CYS 73 1HB CYS 73 -8.889 9.997 3.801 506 2HB CYS 73 2HB CYS 73 -8.074 11.299 2.933 507 HG CYS 73 HG CYS 73 -10.705 11.782 4.563 508 H VAL 74 H VAL 74 -8.038 9.305 0.902 509 HA VAL 74 HA VAL 74 -6.601 11.021 -0.694 510 HB VAL 74 HB VAL 74 -6.147 9.121 -2.095 511 1HG1 VAL 74 1HG1 VAL 74 -5.647 8.996 0.449 512 2HG1 VAL 74 2HG1 VAL 74 -7.000 7.870 0.514 513 3HG1 VAL 74 3HG1 VAL 74 -5.590 7.493 -0.470 514 1HG2 VAL 74 1HG2 VAL 74 -8.962 8.659 -1.528 515 2HG2 VAL 74 2HG2 VAL 74 -7.998 8.125 -2.906 516 3HG2 VAL 74 3HG2 VAL 74 -7.996 7.178 -1.418 517 H THR 75 H THR 75 -6.809 11.564 -3.044 518 HA THR 75 HA THR 75 -9.662 11.920 -3.876 519 HB THR 75 HB THR 75 -7.174 13.635 -4.144 520 HG1 THR 75 HG1 THR 75 -8.853 15.101 -3.135 521 1HG2 THR 75 1HG2 THR 75 -9.744 13.652 -5.635 522 2HG2 THR 75 2HG2 THR 75 -9.089 15.212 -5.134 523 3HG2 THR 75 3HG2 THR 75 -8.131 14.141 -6.156 524 H ALA 76 H ALA 76 -7.790 9.654 -4.483 525 HA ALA 76 HA ALA 76 -7.370 10.192 -7.395 526 1HB ALA 76 1HB ALA 76 -5.731 9.224 -5.288 527 2HB ALA 76 2HB ALA 76 -5.965 7.894 -6.421 528 3HB ALA 76 3HB ALA 76 -5.302 9.430 -6.988 529 H GLU 77 H GLU 77 -6.977 7.769 -8.293 530 HA GLU 77 HA GLU 77 -9.439 6.734 -9.046 531 1HB GLU 77 1HB GLU 77 -7.879 6.019 -10.462 532 2HB GLU 77 2HB GLU 77 -6.625 6.336 -9.286 533 1HG GLU 77 1HG GLU 77 -6.804 4.103 -8.397 534 2HG GLU 77 2HG GLU 77 -8.273 3.801 -9.331 535 H LEU 78 H LEU 78 -10.201 6.669 -6.469 536 HA LEU 78 HA LEU 78 -9.242 4.465 -4.959 537 1HB LEU 78 1HB LEU 78 -10.944 6.418 -4.320 538 2HB LEU 78 2HB LEU 78 -12.092 5.080 -4.553 539 HG LEU 78 HG LEU 78 -9.955 3.860 -3.340 540 1HD1 LEU 78 1HD1 LEU 78 -10.065 6.657 -2.438 541 2HD1 LEU 78 2HD1 LEU 78 -9.824 5.403 -1.216 542 3HD1 LEU 78 3HD1 LEU 78 -8.702 5.537 -2.574 543 1HD2 LEU 78 1HD2 LEU 78 -12.651 4.235 -2.799 544 2HD2 LEU 78 2HD2 LEU 78 -11.531 3.092 -2.041 545 3HD2 LEU 78 3HD2 LEU 78 -11.799 4.691 -1.314 546 H LYS 79 H LYS 79 -10.091 2.530 -4.477 547 HA LYS 79 HA LYS 79 -11.437 1.146 -6.753 548 1HB LYS 79 1HB LYS 79 -8.964 0.900 -5.083 549 2HB LYS 79 2HB LYS 79 -9.596 -0.540 -5.895 550 1HG LYS 79 1HG LYS 79 -9.388 1.865 -7.584 551 2HG LYS 79 2HG LYS 79 -7.865 1.255 -7.035 552 1HD LYS 79 1HD LYS 79 -9.933 -0.267 -8.567 553 2HD LYS 79 2HD LYS 79 -8.315 0.196 -9.089 554 1HE LYS 79 1HE LYS 79 -8.012 -1.190 -6.633 555 2HE LYS 79 2HE LYS 79 -9.078 -2.168 -7.665 556 1HZ LYS 79 1HZ LYS 79 -7.414 -1.498 -9.505 557 2HZ LYS 79 2HZ LYS 79 -6.351 -1.194 -8.219 558 3HZ LYS 79 3HZ LYS 79 -6.994 -2.752 -8.437 559 HA PRO 80 HA PRO 80 -13.619 -1.177 -3.637 560 1HB PRO 80 1HB PRO 80 -13.265 -3.762 -4.474 561 2HB PRO 80 2HB PRO 80 -14.370 -2.642 -5.297 562 1HG PRO 80 1HG PRO 80 -11.613 -3.486 -6.038 563 2HG PRO 80 2HG PRO 80 -13.017 -3.182 -7.074 564 1HD PRO 80 1HD PRO 80 -10.979 -1.406 -6.769 565 2HD PRO 80 2HD PRO 80 -12.650 -0.920 -7.135 566 H ASN 81 H ASN 81 -10.362 -1.946 -4.546 567 HA ASN 81 HA ASN 81 -9.779 -3.095 -1.846 568 1HB ASN 81 1HB ASN 81 -7.817 -4.090 -3.090 569 2HB ASN 81 2HB ASN 81 -9.388 -4.632 -3.681 570 1HD2 ASN 81 2HD2 ASN 81 -6.472 -3.749 -4.876 571 2HD2 ASN 81 1HD2 ASN 81 -6.945 -2.989 -6.319 572 H SER 82 H SER 82 -9.743 -0.115 -2.978 573 HA SER 82 HA SER 82 -7.137 0.960 -3.152 574 1HB SER 82 1HB SER 82 -9.767 1.858 -2.518 575 2HB SER 82 2HB SER 82 -8.675 2.470 -1.286 576 HG SER 82 HG SER 82 -7.297 3.124 -3.018 577 H ARG 83 H ARG 83 -5.544 1.507 -1.574 578 HA ARG 83 HA ARG 83 -6.120 0.660 1.207 579 1HB ARG 83 1HB ARG 83 -4.765 -0.926 -0.818 580 2HB ARG 83 2HB ARG 83 -3.751 -0.690 0.604 581 1HG ARG 83 1HG ARG 83 -6.516 -1.908 0.471 582 2HG ARG 83 2HG ARG 83 -5.023 -2.670 1.010 583 1HD ARG 83 1HD ARG 83 -5.456 -0.297 2.577 584 2HD ARG 83 2HD ARG 83 -6.916 -1.301 2.610 585 HE ARG 83 HE ARG 83 -4.411 -1.979 3.845 586 1HH1 ARG 83 1HH1 ARG 83 -6.958 -3.321 1.917 587 2HH1 ARG 83 2HH1 ARG 83 -6.780 -4.909 2.580 588 1HH2 ARG 83 1HH2 ARG 83 -4.264 -4.008 4.781 589 2HH2 ARG 83 2HH2 ARG 83 -5.263 -5.297 4.200 590 H LEU 84 H LEU 84 -4.595 1.362 2.710 591 HA LEU 84 HA LEU 84 -2.685 3.432 1.714 592 1HB LEU 84 1HB LEU 84 -4.214 2.955 4.285 593 2HB LEU 84 2HB LEU 84 -2.911 4.136 4.184 594 HG LEU 84 HG LEU 84 -5.542 4.689 3.644 595 1HD1 LEU 84 1HD1 LEU 84 -3.649 6.264 4.017 596 2HD1 LEU 84 2HD1 LEU 84 -3.158 6.025 2.340 597 3HD1 LEU 84 3HD1 LEU 84 -4.715 6.771 2.706 598 1HD2 LEU 84 1HD2 LEU 84 -4.178 4.121 0.991 599 2HD2 LEU 84 2HD2 LEU 84 -5.661 3.390 1.600 600 3HD2 LEU 84 3HD2 LEU 84 -5.630 5.093 1.161 601 H CYS 85 H CYS 85 -0.848 2.319 1.380 602 HA CYS 85 HA CYS 85 0.271 0.056 2.146 603 1HB CYS 85 1HB CYS 85 1.214 2.138 0.971 604 2HB CYS 85 2HB CYS 85 1.826 2.591 2.557 605 HG CYS 85 HG CYS 85 2.557 -0.271 1.786 606 H CYS 86 H CYS 86 -0.090 2.718 4.529 607 HA CYS 86 HA CYS 86 1.479 1.368 6.566 608 1HB CYS 86 1HB CYS 86 0.477 3.089 8.038 609 2HB CYS 86 2HB CYS 86 1.096 3.784 6.546 610 H GLN 87 H GLN 87 -1.366 0.401 5.208 611 HA GLN 87 HA GLN 87 -2.259 -0.905 7.753 612 1HB GLN 87 1HB GLN 87 -3.777 0.297 5.429 613 2HB GLN 87 2HB GLN 87 -4.540 -0.822 6.560 614 1HG GLN 87 1HG GLN 87 -3.245 1.835 7.232 615 2HG GLN 87 2HG GLN 87 -4.961 1.442 7.328 616 1HE2 GLN 87 2HE2 GLN 87 -1.890 1.172 8.986 617 2HE2 GLN 87 1HE2 GLN 87 -2.482 0.377 10.365 618 H ILE 88 H ILE 88 -0.526 -1.610 5.180 619 HA ILE 88 HA ILE 88 -1.965 -4.163 4.543 620 HB ILE 88 HB ILE 88 -0.230 -2.258 2.970 621 1HG1 ILE 88 1HG1 ILE 88 -2.765 -2.179 2.994 622 2HG1 ILE 88 2HG1 ILE 88 -2.037 -2.361 1.397 623 1HG2 ILE 88 1HG2 ILE 88 -0.727 -5.178 2.329 624 2HG2 ILE 88 2HG2 ILE 88 -0.097 -3.997 1.182 625 3HG2 ILE 88 3HG2 ILE 88 0.838 -4.418 2.617 626 1HD1 ILE 88 1HD1 ILE 88 -3.112 -4.615 3.104 627 2HD1 ILE 88 2HD1 ILE 88 -3.915 -3.935 1.694 628 3HD1 ILE 88 3HD1 ILE 88 -2.389 -4.797 1.509 629 H ILE 89 H ILE 89 -0.991 -5.551 6.127 630 HA ILE 89 HA ILE 89 1.892 -5.493 6.594 631 HB ILE 89 HB ILE 89 -0.275 -7.423 7.430 632 1HG1 ILE 89 1HG1 ILE 89 -0.974 -5.585 8.618 633 2HG1 ILE 89 2HG1 ILE 89 0.362 -6.021 9.677 634 1HG2 ILE 89 1HG2 ILE 89 2.539 -6.986 8.430 635 2HG2 ILE 89 2HG2 ILE 89 1.348 -8.016 9.219 636 3HG2 ILE 89 3HG2 ILE 89 1.932 -8.422 7.600 637 1HD1 ILE 89 1HD1 ILE 89 1.818 -4.510 8.184 638 2HD1 ILE 89 2HD1 ILE 89 0.298 -3.898 7.525 639 3HD1 ILE 89 3HD1 ILE 89 0.660 -3.702 9.242 640 H MET 90 H MET 90 3.360 -6.750 5.510 641 HA MET 90 HA MET 90 2.450 -8.452 3.326 642 1HB MET 90 1HB MET 90 4.559 -6.803 3.805 643 2HB MET 90 2HB MET 90 5.278 -8.365 4.197 644 1HG MET 90 1HG MET 90 5.549 -7.749 1.800 645 2HG MET 90 2HG MET 90 4.655 -9.246 2.022 646 1HE MET 90 1HE MET 90 2.842 -9.809 1.626 647 2HE MET 90 2HE MET 90 1.312 -8.939 1.327 648 3HE MET 90 3HE MET 90 2.416 -9.327 -0.009 649 H THR 91 H THR 91 2.014 -10.613 3.609 650 HA THR 91 HA THR 91 3.370 -11.918 5.969 651 HB THR 91 HB THR 91 1.282 -13.518 5.267 652 HG1 THR 91 HG1 THR 91 -0.406 -11.743 5.138 653 1HG2 THR 91 1HG2 THR 91 1.798 -11.433 7.263 654 2HG2 THR 91 2HG2 THR 91 0.103 -11.877 7.058 655 3HG2 THR 91 3HG2 THR 91 1.294 -13.109 7.474 656 HA PRO 92 HA PRO 92 5.556 -14.649 3.452 657 1HB PRO 92 1HB PRO 92 5.187 -17.014 4.792 658 2HB PRO 92 2HB PRO 92 6.278 -15.740 5.359 659 1HG PRO 92 1HG PRO 92 3.472 -16.348 6.187 660 2HG PRO 92 2HG PRO 92 4.880 -15.950 7.191 661 1HD PRO 92 1HD PRO 92 3.039 -14.103 6.624 662 2HD PRO 92 2HD PRO 92 4.768 -13.687 6.682 663 H GLU 93 H GLU 93 2.207 -14.992 4.008 664 HA GLU 93 HA GLU 93 1.816 -17.200 2.100 665 1HB GLU 93 1HB GLU 93 -0.631 -16.242 2.361 666 2HB GLU 93 2HB GLU 93 0.092 -17.190 3.656 667 1HG GLU 93 1HG GLU 93 0.639 -15.235 4.884 668 2HG GLU 93 2HG GLU 93 0.292 -14.193 3.507 669 H LEU 94 H LEU 94 1.538 -13.748 2.245 670 HA LEU 94 HA LEU 94 0.590 -13.471 -0.506 671 1HB LEU 94 1HB LEU 94 1.183 -11.671 1.832 672 2HB LEU 94 2HB LEU 94 0.692 -11.032 0.275 673 HG LEU 94 HG LEU 94 -0.821 -13.276 1.557 674 1HD1 LEU 94 1HD1 LEU 94 -0.617 -10.935 2.868 675 2HD1 LEU 94 2HD1 LEU 94 -1.875 -10.502 1.705 676 3HD1 LEU 94 3HD1 LEU 94 -2.116 -11.859 2.808 677 1HD2 LEU 94 1HD2 LEU 94 -0.741 -12.266 -0.910 678 2HD2 LEU 94 2HD2 LEU 94 -2.218 -12.925 -0.194 679 3HD2 LEU 94 3HD2 LEU 94 -1.932 -11.184 -0.193 680 H ASP 95 H ASP 95 3.312 -14.572 -0.203 681 HA ASP 95 HA ASP 95 5.233 -12.512 -0.696 682 1HB ASP 95 1HB ASP 95 6.488 -14.498 -1.734 683 2HB ASP 95 2HB ASP 95 5.938 -14.736 -0.075 684 H GLY 96 H GLY 96 4.848 -11.052 -2.389 685 1HA GLY 96 1HA GLY 96 5.224 -10.984 -4.900 686 2HA GLY 96 2HA GLY 96 3.977 -12.222 -5.005 687 H ILE 97 H ILE 97 3.598 -9.660 -2.703 688 HA ILE 97 HA ILE 97 1.058 -8.832 -3.592 689 HB ILE 97 HB ILE 97 1.586 -8.367 -1.346 690 1HG1 ILE 97 1HG1 ILE 97 1.486 -6.035 -1.028 691 2HG1 ILE 97 2HG1 ILE 97 2.407 -5.705 -2.499 692 1HG2 ILE 97 1HG2 ILE 97 4.215 -7.952 -2.490 693 2HG2 ILE 97 2HG2 ILE 97 3.856 -6.800 -1.208 694 3HG2 ILE 97 3HG2 ILE 97 3.769 -8.541 -0.896 695 1HD1 ILE 97 1HD1 ILE 97 0.146 -7.277 -3.166 696 2HD1 ILE 97 2HD1 ILE 97 -0.402 -5.902 -2.204 697 3HD1 ILE 97 3HD1 ILE 97 0.524 -5.632 -3.682 698 H VAL 98 H VAL 98 0.376 -7.328 -5.009 699 HA VAL 98 HA VAL 98 2.455 -5.749 -6.478 700 HB VAL 98 HB VAL 98 -0.310 -6.466 -7.467 701 1HG1 VAL 98 1HG1 VAL 98 1.949 -5.114 -8.517 702 2HG1 VAL 98 2HG1 VAL 98 1.811 -6.635 -9.398 703 3HG1 VAL 98 3HG1 VAL 98 0.446 -5.519 -9.349 704 1HG2 VAL 98 1HG2 VAL 98 2.128 -8.258 -7.321 705 2HG2 VAL 98 2HG2 VAL 98 0.462 -8.656 -6.891 706 3HG2 VAL 98 3HG2 VAL 98 0.921 -8.474 -8.588 707 H VAL 99 H VAL 99 2.320 -3.664 -5.594 708 HA VAL 99 HA VAL 99 -0.371 -2.716 -4.713 709 HB VAL 99 HB VAL 99 2.016 -1.013 -4.283 710 1HG1 VAL 99 1HG1 VAL 99 -0.473 -1.964 -2.995 711 2HG1 VAL 99 2HG1 VAL 99 0.862 -1.628 -1.883 712 3HG1 VAL 99 3HG1 VAL 99 0.268 -0.358 -2.957 713 1HG2 VAL 99 1HG2 VAL 99 1.844 -3.827 -3.158 714 2HG2 VAL 99 2HG2 VAL 99 3.205 -3.083 -3.998 715 3HG2 VAL 99 3HG2 VAL 99 2.767 -2.540 -2.376 716 H ASP 100 H ASP 100 -1.110 -0.629 -5.392 717 HA ASP 100 HA ASP 100 0.077 0.255 -7.997 718 1HB ASP 100 1HB ASP 100 -2.538 -0.673 -7.195 719 2HB ASP 100 2HB ASP 100 -2.636 0.925 -7.934 720 H VAL 101 H VAL 101 0.692 2.329 -8.023 721 HA VAL 101 HA VAL 101 -0.167 4.050 -5.753 722 HB VAL 101 HB VAL 101 2.120 4.069 -7.720 723 1HG1 VAL 101 1HG1 VAL 101 1.387 6.379 -7.252 724 2HG1 VAL 101 2HG1 VAL 101 1.520 6.060 -5.524 725 3HG1 VAL 101 3HG1 VAL 101 2.963 6.041 -6.537 726 1HG2 VAL 101 1HG2 VAL 101 2.135 2.463 -5.781 727 2HG2 VAL 101 2HG2 VAL 101 3.468 3.619 -5.756 728 3HG2 VAL 101 3HG2 VAL 101 2.076 3.855 -4.699 729 HA PRO 102 HA PRO 102 -2.732 6.188 -8.727 730 1HB PRO 102 1HB PRO 102 -3.777 7.951 -6.928 731 2HB PRO 102 2HB PRO 102 -4.286 6.258 -7.026 732 1HG PRO 102 1HG PRO 102 -2.443 7.557 -5.099 733 2HG PRO 102 2HG PRO 102 -3.636 6.280 -4.836 734 1HD PRO 102 1HD PRO 102 -0.958 5.831 -5.065 735 2HD PRO 102 2HD PRO 102 -2.212 4.637 -5.445 736 H ASP 103 H ASP 103 -3.074 8.551 -9.312 737 HA ASP 103 HA ASP 103 -0.483 9.990 -9.290 738 1HB ASP 103 1HB ASP 103 -1.769 9.606 -11.377 739 2HB ASP 103 2HB ASP 103 -3.130 10.496 -10.693 740 H ARG 104 H ARG 104 -3.578 10.053 -7.733 741 HA ARG 104 HA ARG 104 -3.072 12.812 -6.686 742 1HB ARG 104 1HB ARG 104 -5.654 11.271 -6.429 743 2HB ARG 104 2HB ARG 104 -5.419 13.013 -6.466 744 1HG ARG 104 1HG ARG 104 -4.516 11.743 -8.939 745 2HG ARG 104 2HG ARG 104 -6.215 11.422 -8.606 746 1HD ARG 104 1HD ARG 104 -5.853 13.539 -9.915 747 2HD ARG 104 2HD ARG 104 -6.645 13.830 -8.352 748 HE ARG 104 HE ARG 104 -3.837 13.899 -7.939 749 1HH1 ARG 104 1HH1 ARG 104 -3.744 15.434 -10.440 750 2HH1 ARG 104 2HH1 ARG 104 -4.093 17.051 -9.928 751 1HH2 ARG 104 1HH2 ARG 104 -5.409 16.082 -6.870 752 2HH2 ARG 104 2HH2 ARG 104 -5.035 17.419 -7.907 753 H GLN 105 H GLN 105 -1.454 11.575 -5.284 754 HA GLN 105 HA GLN 105 -2.752 9.863 -3.262 755 1HB GLN 105 1HB GLN 105 -0.380 9.356 -2.679 756 2HB GLN 105 2HB GLN 105 -0.712 9.104 -4.393 757 1HG GLN 105 1HG GLN 105 0.408 11.077 -5.027 758 2HG GLN 105 2HG GLN 105 0.328 11.752 -3.399 759 1HE2 GLN 105 2HE2 GLN 105 1.290 9.599 -1.858 760 2HE2 GLN 105 1HE2 GLN 105 2.897 9.267 -2.291 761 H TRP 106 H TRP 106 -3.656 12.362 -2.825 762 HA TRP 106 HA TRP 106 -1.945 14.054 -1.196 763 1HB TRP 106 1HB TRP 106 -3.816 15.431 -1.171 764 2HB TRP 106 2HB TRP 106 -4.203 14.438 -2.581 765 HD1 TRP 106 HD1 TRP 106 -6.445 13.155 -2.458 766 HE1 TRP 106 HE1 TRP 106 -8.140 12.612 -0.572 767 HE3 TRP 106 HE3 TRP 106 -3.879 15.013 1.479 768 HZ2 TRP 106 HZ2 TRP 106 -8.356 13.004 2.280 769 HZ3 TRP 106 HZ3 TRP 106 -4.817 14.952 3.761 770 HH2 TRP 106 HH2 TRP 106 -7.054 13.944 4.181 Start of MODEL 13 1 3H SER 1 3H SER 1 7.269 -12.306 3.432 2 1H SER 1 1H SER 1 8.220 -11.102 2.704 3 2H SER 1 2H SER 1 6.671 -10.722 3.279 4 HA SER 1 HA SER 1 6.883 -12.834 1.250 5 1HB SER 1 1HB SER 1 4.643 -12.510 1.408 6 2HB SER 1 2HB SER 1 4.939 -11.320 2.670 7 HG SER 1 HG SER 1 4.942 -10.848 -0.135 8 H LYS 2 H LYS 2 6.902 -12.215 -0.997 9 HA LYS 2 HA LYS 2 8.717 -10.162 -1.761 10 1HB LYS 2 1HB LYS 2 6.844 -12.107 -2.933 11 2HB LYS 2 2HB LYS 2 7.109 -10.678 -3.929 12 1HG LYS 2 1HG LYS 2 8.665 -12.671 -4.269 13 2HG LYS 2 2HG LYS 2 9.411 -11.087 -4.087 14 1HD LYS 2 1HD LYS 2 10.042 -11.529 -1.831 15 2HD LYS 2 2HD LYS 2 8.987 -12.940 -1.739 16 1HE LYS 2 1HE LYS 2 10.461 -13.882 -3.684 17 2HE LYS 2 2HE LYS 2 11.636 -12.661 -3.152 18 1HZ LYS 2 1HZ LYS 2 10.981 -13.560 -0.809 19 2HZ LYS 2 2HZ LYS 2 10.542 -14.953 -1.672 20 3HZ LYS 2 3HZ LYS 2 12.141 -14.380 -1.742 21 H VAL 3 H VAL 3 8.228 -8.096 -2.628 22 HA VAL 3 HA VAL 3 5.438 -7.170 -2.531 23 HB VAL 3 HB VAL 3 7.870 -6.078 -1.183 24 1HG1 VAL 3 1HG1 VAL 3 6.376 -4.316 -2.337 25 2HG1 VAL 3 2HG1 VAL 3 5.102 -4.816 -1.169 26 3HG1 VAL 3 3HG1 VAL 3 6.637 -4.127 -0.592 27 1HG2 VAL 3 1HG2 VAL 3 5.413 -7.559 -0.508 28 2HG2 VAL 3 2HG2 VAL 3 7.006 -7.623 0.231 29 3HG2 VAL 3 3HG2 VAL 3 5.902 -6.311 0.639 30 H VAL 4 H VAL 4 4.929 -5.936 -4.210 31 HA VAL 4 HA VAL 4 7.143 -4.531 -5.605 32 HB VAL 4 HB VAL 4 5.174 -6.380 -6.927 33 1HG1 VAL 4 1HG1 VAL 4 6.724 -4.231 -7.960 34 2HG1 VAL 4 2HG1 VAL 4 7.444 -5.735 -8.534 35 3HG1 VAL 4 3HG1 VAL 4 5.746 -5.388 -8.862 36 1HG2 VAL 4 1HG2 VAL 4 8.133 -6.665 -6.395 37 2HG2 VAL 4 2HG2 VAL 4 6.848 -7.584 -5.611 38 3HG2 VAL 4 3HG2 VAL 4 7.160 -7.796 -7.336 39 H TYR 5 H TYR 5 6.221 -2.583 -4.861 40 HA TYR 5 HA TYR 5 3.492 -1.797 -5.161 41 1HB TYR 5 1HB TYR 5 6.059 -0.183 -5.066 42 2HB TYR 5 2HB TYR 5 4.451 0.421 -4.686 43 HD1 TYR 5 HD1 TYR 5 7.139 -1.958 -3.532 44 HD2 TYR 5 HD2 TYR 5 3.450 0.067 -2.568 45 HE1 TYR 5 HE1 TYR 5 7.446 -2.532 -1.205 46 HE2 TYR 5 HE2 TYR 5 3.784 -0.520 -0.199 47 HH TYR 5 HH TYR 5 6.504 -2.585 0.828 48 H VAL 6 H VAL 6 2.492 -0.950 -7.044 49 HA VAL 6 HA VAL 6 4.252 -0.693 -9.423 50 HB VAL 6 HB VAL 6 1.253 -0.842 -9.048 51 1HG1 VAL 6 1HG1 VAL 6 2.947 -0.939 -11.548 52 2HG1 VAL 6 2HG1 VAL 6 1.204 -1.190 -11.482 53 3HG1 VAL 6 3HG1 VAL 6 1.883 0.385 -11.076 54 1HG2 VAL 6 1HG2 VAL 6 3.363 -2.843 -9.877 55 2HG2 VAL 6 2HG2 VAL 6 2.320 -2.934 -8.449 56 3HG2 VAL 6 3HG2 VAL 6 1.631 -3.116 -10.070 57 H SER 7 H SER 7 3.612 1.176 -10.918 58 HA SER 7 HA SER 7 3.282 3.633 -9.262 59 1HB SER 7 1HB SER 7 4.465 4.703 -11.120 60 2HB SER 7 2HB SER 7 5.335 3.251 -10.639 61 HG SER 7 HG SER 7 4.632 3.770 -13.012 62 H HIS 8 H HIS 8 2.597 5.274 -11.528 63 HA HIS 8 HA HIS 8 -0.275 4.562 -11.751 64 1HB HIS 8 1HB HIS 8 0.684 6.979 -13.137 65 2HB HIS 8 2HB HIS 8 -0.580 6.822 -11.931 66 HD1 HIS 8 HD1 HIS 8 1.165 5.707 -9.604 67 HD2 HIS 8 HD2 HIS 8 2.232 8.975 -11.951 68 HE1 HIS 8 HE1 HIS 8 2.776 7.089 -8.217 69 H ASP 9 H ASP 9 2.661 4.780 -13.609 70 HA ASP 9 HA ASP 9 1.284 4.227 -16.172 71 1HB ASP 9 1HB ASP 9 3.478 4.630 -17.111 72 2HB ASP 9 2HB ASP 9 3.215 5.845 -15.859 73 H GLY 10 H GLY 10 2.528 2.493 -13.553 74 1HA GLY 10 1HA GLY 10 2.150 0.024 -13.599 75 2HA GLY 10 2HA GLY 10 2.796 0.037 -15.243 76 H THR 11 H THR 11 4.869 2.118 -14.049 77 HA THR 11 HA THR 11 6.995 0.283 -13.720 78 HB THR 11 HB THR 11 6.529 3.106 -13.717 79 HG1 THR 11 HG1 THR 11 8.504 3.072 -14.596 80 1HG2 THR 11 1HG2 THR 11 8.136 2.012 -11.430 81 2HG2 THR 11 2HG2 THR 11 8.572 3.562 -12.155 82 3HG2 THR 11 3HG2 THR 11 6.981 3.352 -11.419 83 H ARG 12 H ARG 12 7.607 -0.841 -11.964 84 HA ARG 12 HA ARG 12 6.180 -0.305 -9.391 85 1HB ARG 12 1HB ARG 12 7.212 -3.015 -10.173 86 2HB ARG 12 2HB ARG 12 5.848 -2.604 -9.134 87 1HG ARG 12 1HG ARG 12 4.738 -3.281 -11.055 88 2HG ARG 12 2HG ARG 12 4.872 -1.546 -11.342 89 1HD ARG 12 1HD ARG 12 6.428 -1.813 -13.027 90 2HD ARG 12 2HD ARG 12 7.152 -3.243 -12.265 91 HE ARG 12 HE ARG 12 4.708 -4.213 -12.886 92 1HH1 ARG 12 1HH1 ARG 12 5.465 -1.624 -14.771 93 2HH1 ARG 12 2HH1 ARG 12 5.591 -2.487 -16.268 94 1HH2 ARG 12 1HH2 ARG 12 5.490 -5.617 -14.781 95 2HH2 ARG 12 2HH2 ARG 12 5.606 -4.746 -16.274 96 H ARG 13 H ARG 13 7.321 -1.609 -7.563 97 HA ARG 13 HA ARG 13 10.261 -1.146 -7.531 98 1HB ARG 13 1HB ARG 13 8.586 0.440 -6.281 99 2HB ARG 13 2HB ARG 13 8.307 -0.956 -5.234 100 1HG ARG 13 1HG ARG 13 10.177 -0.553 -4.114 101 2HG ARG 13 2HG ARG 13 11.118 -0.606 -5.610 102 1HD ARG 13 1HD ARG 13 9.611 1.809 -4.554 103 2HD ARG 13 2HD ARG 13 11.375 1.616 -4.582 104 HE ARG 13 HE ARG 13 10.781 1.163 -7.180 105 1HH1 ARG 13 1HH1 ARG 13 10.266 3.716 -4.962 106 2HH1 ARG 13 2HH1 ARG 13 9.718 4.842 -6.159 107 1HH2 ARG 13 1HH2 ARG 13 9.800 2.536 -8.748 108 2HH2 ARG 13 2HH2 ARG 13 9.455 4.173 -8.302 109 H GLU 14 H GLU 14 10.989 -2.587 -5.436 110 HA GLU 14 HA GLU 14 9.150 -4.859 -5.105 111 1HB GLU 14 1HB GLU 14 11.927 -5.149 -6.336 112 2HB GLU 14 2HB GLU 14 10.865 -6.491 -5.913 113 1HG GLU 14 1HG GLU 14 9.124 -5.473 -7.441 114 2HG GLU 14 2HG GLU 14 10.361 -4.336 -7.979 115 H LEU 15 H LEU 15 9.212 -5.155 -2.907 116 HA LEU 15 HA LEU 15 11.794 -4.826 -1.431 117 1HB LEU 15 1HB LEU 15 8.927 -4.812 -0.446 118 2HB LEU 15 2HB LEU 15 10.343 -4.326 0.470 119 HG LEU 15 HG LEU 15 8.924 -2.940 -1.727 120 1HD1 LEU 15 1HD1 LEU 15 9.324 -2.629 1.057 121 2HD1 LEU 15 2HD1 LEU 15 10.196 -1.310 0.274 122 3HD1 LEU 15 3HD1 LEU 15 8.471 -1.529 -0.024 123 1HD2 LEU 15 1HD2 LEU 15 11.846 -3.001 -1.305 124 2HD2 LEU 15 2HD2 LEU 15 10.917 -2.620 -2.754 125 3HD2 LEU 15 3HD2 LEU 15 11.121 -1.405 -1.494 126 H ASP 16 H ASP 16 10.836 -6.052 0.859 127 HA ASP 16 HA ASP 16 9.977 -8.797 0.253 128 1HB ASP 16 1HB ASP 16 12.626 -8.321 0.088 129 2HB ASP 16 2HB ASP 16 12.509 -8.470 1.842 130 H VAL 17 H VAL 17 8.315 -7.376 1.505 131 HA VAL 17 HA VAL 17 8.949 -6.897 4.370 132 HB VAL 17 HB VAL 17 6.223 -6.588 3.152 133 1HG1 VAL 17 1HG1 VAL 17 7.747 -5.670 5.350 134 2HG1 VAL 17 2HG1 VAL 17 7.294 -4.282 4.355 135 3HG1 VAL 17 3HG1 VAL 17 6.048 -5.363 4.982 136 1HG2 VAL 17 1HG2 VAL 17 8.704 -5.063 2.336 137 2HG2 VAL 17 2HG2 VAL 17 7.487 -5.759 1.287 138 3HG2 VAL 17 3HG2 VAL 17 7.101 -4.336 2.237 139 H ALA 18 H ALA 18 8.650 -8.371 5.851 140 HA ALA 18 HA ALA 18 7.379 -10.956 5.262 141 1HB ALA 18 1HB ALA 18 9.483 -10.109 6.750 142 2HB ALA 18 2HB ALA 18 8.225 -10.215 7.990 143 3HB ALA 18 3HB ALA 18 8.647 -11.641 7.032 144 H ASP 19 H ASP 19 6.125 -11.922 7.113 145 HA ASP 19 HA ASP 19 3.587 -10.785 7.504 146 1HB ASP 19 1HB ASP 19 3.934 -12.291 9.725 147 2HB ASP 19 2HB ASP 19 3.585 -13.000 8.162 148 H GLY 20 H GLY 20 2.947 -9.198 8.653 149 1HA GLY 20 1HA GLY 20 2.767 -7.964 10.746 150 2HA GLY 20 2HA GLY 20 4.405 -8.463 11.140 151 H VAL 21 H VAL 21 5.312 -7.519 8.271 152 HA VAL 21 HA VAL 21 5.793 -4.775 9.211 153 HB VAL 21 HB VAL 21 6.474 -6.130 6.598 154 1HG1 VAL 21 1HG1 VAL 21 7.255 -3.520 7.861 155 2HG1 VAL 21 2HG1 VAL 21 8.189 -4.262 6.558 156 3HG1 VAL 21 3HG1 VAL 21 6.510 -3.806 6.283 157 1HG2 VAL 21 1HG2 VAL 21 7.524 -7.072 8.753 158 2HG2 VAL 21 2HG2 VAL 21 8.612 -6.600 7.429 159 3HG2 VAL 21 3HG2 VAL 21 8.382 -5.529 8.824 160 H SER 22 H SER 22 5.156 -2.942 8.001 161 HA SER 22 HA SER 22 2.695 -3.393 6.360 162 1HB SER 22 1HB SER 22 2.944 -0.693 6.646 163 2HB SER 22 2HB SER 22 2.154 -1.710 7.849 164 HG SER 22 HG SER 22 4.272 -0.208 8.175 165 H LEU 23 H LEU 23 2.811 -3.024 4.099 166 HA LEU 23 HA LEU 23 5.265 -2.892 2.740 167 1HB LEU 23 1HB LEU 23 2.476 -1.925 2.190 168 2HB LEU 23 2HB LEU 23 3.734 -1.760 0.993 169 HG LEU 23 HG LEU 23 2.599 -4.295 2.119 170 1HD1 LEU 23 1HD1 LEU 23 3.070 -3.244 -0.655 171 2HD1 LEU 23 2HD1 LEU 23 2.411 -4.837 -0.280 172 3HD1 LEU 23 3HD1 LEU 23 1.518 -3.384 0.169 173 1HD2 LEU 23 1HD2 LEU 23 5.229 -3.907 0.715 174 2HD2 LEU 23 2HD2 LEU 23 4.946 -4.666 2.284 175 3HD2 LEU 23 3HD2 LEU 23 4.393 -5.451 0.804 176 H MET 24 H MET 24 3.463 -0.454 4.402 177 HA MET 24 HA MET 24 4.763 1.859 3.259 178 1HB MET 24 1HB MET 24 2.694 2.299 4.108 179 2HB MET 24 2HB MET 24 2.862 1.071 5.354 180 1HG MET 24 1HG MET 24 3.146 2.850 6.765 181 2HG MET 24 2HG MET 24 4.760 2.962 6.082 182 1HE MET 24 1HE MET 24 5.380 5.019 6.266 183 2HE MET 24 2HE MET 24 4.714 6.494 5.571 184 3HE MET 24 3HE MET 24 4.038 5.832 7.066 185 H GLN 25 H GLN 25 5.649 -0.513 5.516 186 HA GLN 25 HA GLN 25 7.630 1.192 6.899 187 1HB GLN 25 1HB GLN 25 6.673 -0.374 8.348 188 2HB GLN 25 2HB GLN 25 6.500 -1.579 7.074 189 1HG GLN 25 1HG GLN 25 8.669 -2.344 7.312 190 2HG GLN 25 2HG GLN 25 9.270 -0.778 7.856 191 1HE2 GLN 25 2HE2 GLN 25 6.386 -2.285 9.269 192 2HE2 GLN 25 1HE2 GLN 25 7.081 -2.599 10.785 193 H ALA 26 H ALA 26 7.746 -1.966 5.138 194 HA ALA 26 HA ALA 26 10.528 -1.864 4.525 195 1HB ALA 26 1HB ALA 26 8.166 -3.051 3.038 196 2HB ALA 26 2HB ALA 26 9.847 -3.491 2.746 197 3HB ALA 26 3HB ALA 26 9.103 -3.842 4.309 198 H ALA 27 H ALA 27 7.771 -0.757 2.455 199 HA ALA 27 HA ALA 27 9.132 0.205 0.216 200 1HB ALA 27 1HB ALA 27 6.828 1.379 1.803 201 2HB ALA 27 2HB ALA 27 7.219 1.837 0.149 202 3HB ALA 27 3HB ALA 27 6.704 0.194 0.508 203 H VAL 28 H VAL 28 8.515 1.944 3.254 204 HA VAL 28 HA VAL 28 10.049 4.285 2.517 205 HB VAL 28 HB VAL 28 8.297 3.283 4.544 206 1HG1 VAL 28 1HG1 VAL 28 10.401 2.942 5.880 207 2HG1 VAL 28 2HG1 VAL 28 10.743 4.664 5.708 208 3HG1 VAL 28 3HG1 VAL 28 9.310 4.131 6.589 209 1HG2 VAL 28 1HG2 VAL 28 8.894 5.671 3.198 210 2HG2 VAL 28 2HG2 VAL 28 7.576 5.402 4.339 211 3HG2 VAL 28 3HG2 VAL 28 9.116 6.046 4.907 212 H SER 29 H SER 29 11.049 1.177 3.123 213 HA SER 29 HA SER 29 13.569 1.916 4.525 214 1HB SER 29 1HB SER 29 13.074 -0.064 5.497 215 2HB SER 29 2HB SER 29 11.700 -0.213 4.411 216 HG SER 29 HG SER 29 13.032 -1.948 4.026 217 H ASN 30 H ASN 30 12.230 0.780 1.494 218 HA ASN 30 HA ASN 30 14.893 0.262 0.332 219 1HB ASN 30 1HB ASN 30 12.020 -0.049 -0.590 220 2HB ASN 30 2HB ASN 30 13.414 -0.547 -1.530 221 1HD2 ASN 30 2HD2 ASN 30 12.027 -1.019 1.736 222 2HD2 ASN 30 1HD2 ASN 30 12.489 -2.646 1.874 223 H GLY 31 H GLY 31 12.855 2.806 0.934 224 1HA GLY 31 1HA GLY 31 13.200 5.056 0.140 225 2HA GLY 31 2HA GLY 31 14.079 4.414 -1.248 226 H ILE 32 H ILE 32 11.058 2.949 -0.448 227 HA ILE 32 HA ILE 32 9.893 3.618 -3.016 228 HB ILE 32 HB ILE 32 8.789 2.399 -0.483 229 1HG1 ILE 32 1HG1 ILE 32 10.415 1.373 -2.754 230 2HG1 ILE 32 2HG1 ILE 32 10.443 0.908 -1.058 231 1HG2 ILE 32 1HG2 ILE 32 7.142 3.279 -2.277 232 2HG2 ILE 32 2HG2 ILE 32 7.713 1.918 -3.246 233 3HG2 ILE 32 3HG2 ILE 32 6.941 1.626 -1.683 234 1HD1 ILE 32 1HD1 ILE 32 8.279 -0.268 -1.362 235 2HD1 ILE 32 2HD1 ILE 32 8.306 0.156 -3.074 236 3HD1 ILE 32 3HD1 ILE 32 9.532 -0.917 -2.412 237 H TYR 33 H TYR 33 8.593 4.194 0.186 238 HA TYR 33 HA TYR 33 7.002 6.457 -0.718 239 1HB TYR 33 1HB TYR 33 7.529 5.223 1.996 240 2HB TYR 33 2HB TYR 33 6.273 6.415 1.642 241 HD1 TYR 33 HD1 TYR 33 5.693 5.434 -1.200 242 HD2 TYR 33 HD2 TYR 33 6.055 3.378 2.550 243 HE1 TYR 33 HE1 TYR 33 4.240 3.665 -2.047 244 HE2 TYR 33 HE2 TYR 33 4.591 1.583 1.697 245 HH TYR 33 HH TYR 33 3.154 1.772 -1.574 246 H ASP 34 H ASP 34 9.403 7.290 -1.301 247 HA ASP 34 HA ASP 34 11.000 8.510 0.751 248 1HB ASP 34 1HB ASP 34 11.908 9.777 -1.235 249 2HB ASP 34 2HB ASP 34 11.849 8.030 -1.472 250 H ILE 35 H ILE 35 8.403 9.191 1.440 251 HA ILE 35 HA ILE 35 8.089 12.058 0.661 252 HB ILE 35 HB ILE 35 6.086 10.938 0.192 253 1HG1 ILE 35 1HG1 ILE 35 5.934 12.833 2.011 254 2HG1 ILE 35 2HG1 ILE 35 4.508 11.869 1.636 255 1HG2 ILE 35 1HG2 ILE 35 6.821 9.233 2.548 256 2HG2 ILE 35 2HG2 ILE 35 5.132 9.321 2.049 257 3HG2 ILE 35 3HG2 ILE 35 6.357 8.748 0.917 258 1HD1 ILE 35 1HD1 ILE 35 6.287 10.771 3.744 259 2HD1 ILE 35 2HD1 ILE 35 5.418 12.244 4.164 260 3HD1 ILE 35 3HD1 ILE 35 4.526 10.811 3.665 261 H VAL 36 H VAL 36 7.588 13.581 2.440 262 HA VAL 36 HA VAL 36 8.849 12.716 5.020 263 HB VAL 36 HB VAL 36 8.546 15.470 3.783 264 1HG1 VAL 36 1HG1 VAL 36 9.665 14.406 6.322 265 2HG1 VAL 36 2HG1 VAL 36 10.639 15.621 5.493 266 3HG1 VAL 36 3HG1 VAL 36 8.982 15.994 5.970 267 1HG2 VAL 36 1HG2 VAL 36 9.981 13.929 2.445 268 2HG2 VAL 36 2HG2 VAL 36 10.908 15.245 3.167 269 3HG2 VAL 36 3HG2 VAL 36 10.962 13.632 3.880 270 H GLY 37 H GLY 37 6.087 14.431 3.591 271 1HA GLY 37 1HA GLY 37 4.971 15.144 6.198 272 2HA GLY 37 2HA GLY 37 4.175 15.356 4.639 273 H ASP 38 H ASP 38 5.132 12.782 6.930 274 HA ASP 38 HA ASP 38 2.686 11.268 6.067 275 1HB ASP 38 1HB ASP 38 4.043 9.262 6.738 276 2HB ASP 38 2HB ASP 38 4.770 10.178 5.417 277 H CYS 39 H CYS 39 1.879 9.787 7.900 278 HA CYS 39 HA CYS 39 1.879 11.341 10.446 279 1HB CYS 39 1HB CYS 39 -0.209 10.202 10.850 280 2HB CYS 39 2HB CYS 39 -0.222 10.714 9.164 281 H GLY 40 H GLY 40 3.229 8.512 9.070 282 1HA GLY 40 1HA GLY 40 4.720 6.982 10.091 283 2HA GLY 40 2HA GLY 40 4.380 7.740 11.646 284 H GLY 41 H GLY 41 2.200 6.203 9.268 285 1HA GLY 41 1HA GLY 41 0.731 4.388 9.521 286 2HA GLY 41 2HA GLY 41 1.762 3.835 10.842 287 H SER 42 H SER 42 0.802 7.027 11.352 288 HA SER 42 HA SER 42 -0.922 6.247 13.585 289 1HB SER 42 1HB SER 42 0.792 8.182 13.361 290 2HB SER 42 2HB SER 42 -0.476 9.020 12.474 291 HG SER 42 HG SER 42 -0.212 9.028 15.009 292 H ALA 43 H ALA 43 -1.484 6.562 10.307 293 HA ALA 43 HA ALA 43 -3.481 6.744 9.051 294 1HB ALA 43 1HB ALA 43 -3.990 5.387 11.394 295 2HB ALA 43 2HB ALA 43 -5.191 6.676 11.450 296 3HB ALA 43 3HB ALA 43 -5.146 5.573 10.075 297 H SER 44 H SER 44 -2.338 9.188 9.474 298 HA SER 44 HA SER 44 -4.708 10.934 9.988 299 1HB SER 44 1HB SER 44 -2.596 10.558 11.749 300 2HB SER 44 2HB SER 44 -2.142 12.029 10.892 301 HG SER 44 HG SER 44 -3.463 12.834 12.363 302 H CYS 45 H CYS 45 -2.659 9.964 7.699 303 HA CYS 45 HA CYS 45 -2.428 12.707 6.509 304 1HB CYS 45 1HB CYS 45 -0.207 12.261 5.896 305 2HB CYS 45 2HB CYS 45 -0.315 11.480 7.469 306 H ALA 46 H ALA 46 -1.652 12.125 3.993 307 HA ALA 46 HA ALA 46 -3.406 9.953 2.951 308 1HB ALA 46 1HB ALA 46 -4.596 12.208 3.185 309 2HB ALA 46 2HB ALA 46 -3.507 12.801 1.930 310 3HB ALA 46 3HB ALA 46 -4.629 11.486 1.575 311 H THR 47 H THR 47 -0.404 11.170 3.010 312 HA THR 47 HA THR 47 0.220 11.276 0.144 313 HB THR 47 HB THR 47 2.334 10.885 2.196 314 HG1 THR 47 HG1 THR 47 1.756 13.303 2.604 315 1HG2 THR 47 1HG2 THR 47 1.786 12.534 -0.221 316 2HG2 THR 47 2HG2 THR 47 2.862 13.227 0.993 317 3HG2 THR 47 3HG2 THR 47 3.255 11.677 0.248 318 H CYS 48 H CYS 48 -0.671 8.778 2.015 319 HA CYS 48 HA CYS 48 1.290 6.848 0.818 320 1HB CYS 48 1HB CYS 48 0.508 5.414 2.752 321 2HB CYS 48 2HB CYS 48 1.335 6.891 3.240 322 H HIS 49 H HIS 49 -1.202 8.025 -0.378 323 HA HIS 49 HA HIS 49 -3.321 6.060 -0.358 324 1HB HIS 49 1HB HIS 49 -3.745 8.351 -0.976 325 2HB HIS 49 2HB HIS 49 -2.445 8.334 -2.165 326 HD1 HIS 49 HD1 HIS 49 -5.130 5.727 -1.753 327 HD2 HIS 49 HD2 HIS 49 -3.936 8.544 -4.518 328 HE1 HIS 49 HE1 HIS 49 -6.522 5.315 -3.739 329 H VAL 50 H VAL 50 -3.406 4.118 -1.439 330 HA VAL 50 HA VAL 50 -1.972 3.831 -3.990 331 HB VAL 50 HB VAL 50 -0.242 2.539 -3.257 332 1HG1 VAL 50 1HG1 VAL 50 -1.127 3.573 -0.549 333 2HG1 VAL 50 2HG1 VAL 50 0.472 2.934 -0.927 334 3HG1 VAL 50 3HG1 VAL 50 -0.083 4.426 -1.685 335 1HG2 VAL 50 1HG2 VAL 50 -2.352 1.316 -1.488 336 2HG2 VAL 50 2HG2 VAL 50 -1.433 0.568 -2.813 337 3HG2 VAL 50 3HG2 VAL 50 -0.636 0.907 -1.258 338 H TYR 51 H TYR 51 -2.135 1.273 -4.483 339 HA TYR 51 HA TYR 51 -4.835 0.310 -3.692 340 1HB TYR 51 1HB TYR 51 -3.590 0.861 -6.358 341 2HB TYR 51 2HB TYR 51 -5.032 -0.115 -6.178 342 HD1 TYR 51 HD1 TYR 51 -7.068 0.860 -5.081 343 HD2 TYR 51 HD2 TYR 51 -3.659 3.254 -6.117 344 HE1 TYR 51 HE1 TYR 51 -8.425 2.903 -4.923 345 HE2 TYR 51 HE2 TYR 51 -5.048 5.288 -6.013 346 HH TYR 51 HH TYR 51 -8.011 5.433 -4.556 347 H VAL 52 H VAL 52 -4.322 -1.691 -2.815 348 HA VAL 52 HA VAL 52 -1.976 -3.178 -3.646 349 HB VAL 52 HB VAL 52 -4.287 -4.054 -1.897 350 1HG1 VAL 52 1HG1 VAL 52 -2.204 -5.498 -2.622 351 2HG1 VAL 52 2HG1 VAL 52 -1.424 -4.605 -1.317 352 3HG1 VAL 52 3HG1 VAL 52 -2.852 -5.585 -0.982 353 1HG2 VAL 52 1HG2 VAL 52 -3.099 -1.675 -1.443 354 2HG2 VAL 52 2HG2 VAL 52 -3.655 -2.741 -0.153 355 3HG2 VAL 52 3HG2 VAL 52 -1.954 -2.739 -0.619 356 H ASN 53 H ASN 53 -1.964 -4.845 -5.164 357 HA ASN 53 HA ASN 53 -4.054 -5.352 -6.957 358 1HB ASN 53 1HB ASN 53 -1.965 -6.253 -7.471 359 2HB ASN 53 2HB ASN 53 -1.755 -6.956 -5.866 360 1HD2 ASN 53 2HD2 ASN 53 -1.266 -9.024 -7.080 361 2HD2 ASN 53 1HD2 ASN 53 -2.558 -9.970 -7.641 362 H GLU 54 H GLU 54 -5.848 -6.780 -6.933 363 HA GLU 54 HA GLU 54 -7.210 -7.198 -4.493 364 1HB GLU 54 1HB GLU 54 -8.513 -8.881 -6.001 365 2HB GLU 54 2HB GLU 54 -8.484 -7.179 -6.461 366 1HG GLU 54 1HG GLU 54 -7.127 -7.546 -8.271 367 2HG GLU 54 2HG GLU 54 -6.276 -8.884 -7.498 368 H ALA 55 H ALA 55 -4.513 -8.993 -5.614 369 HA ALA 55 HA ALA 55 -5.396 -11.484 -4.260 370 1HB ALA 55 1HB ALA 55 -3.707 -10.789 -6.427 371 2HB ALA 55 2HB ALA 55 -2.645 -11.457 -5.185 372 3HB ALA 55 3HB ALA 55 -4.004 -12.406 -5.792 373 H PHE 56 H PHE 56 -4.280 -8.668 -3.137 374 HA PHE 56 HA PHE 56 -2.849 -9.991 -0.874 375 1HB PHE 56 1HB PHE 56 -1.937 -7.612 -2.513 376 2HB PHE 56 2HB PHE 56 -1.180 -8.110 -0.994 377 HD1 PHE 56 HD1 PHE 56 -1.970 -9.151 -4.452 378 HD2 PHE 56 HD2 PHE 56 0.287 -10.023 -0.896 379 HE1 PHE 56 HE1 PHE 56 -0.700 -10.883 -5.683 380 HE2 PHE 56 HE2 PHE 56 1.490 -11.796 -2.086 381 HZ PHE 56 HZ PHE 56 1.025 -12.207 -4.516 382 H THR 57 H THR 57 -5.391 -8.199 -1.817 383 HA THR 57 HA THR 57 -5.287 -6.211 0.390 384 HB THR 57 HB THR 57 -7.344 -5.404 -0.647 385 HG1 THR 57 HG1 THR 57 -8.551 -7.054 -1.207 386 1HG2 THR 57 1HG2 THR 57 -4.937 -5.877 -2.156 387 2HG2 THR 57 2HG2 THR 57 -6.335 -5.919 -3.233 388 3HG2 THR 57 3HG2 THR 57 -6.038 -4.502 -2.226 389 H ASP 58 H ASP 58 -7.040 -9.098 -0.686 390 HA ASP 58 HA ASP 58 -8.560 -9.258 1.830 391 1HB ASP 58 1HB ASP 58 -10.076 -10.017 0.313 392 2HB ASP 58 2HB ASP 58 -8.845 -9.969 -0.945 393 H LYS 59 H LYS 59 -5.608 -10.221 0.783 394 HA LYS 59 HA LYS 59 -5.546 -12.848 2.185 395 1HB LYS 59 1HB LYS 59 -3.301 -11.399 0.840 396 2HB LYS 59 2HB LYS 59 -3.590 -13.141 0.934 397 1HG LYS 59 1HG LYS 59 -5.844 -12.179 -0.396 398 2HG LYS 59 2HG LYS 59 -4.530 -11.210 -1.072 399 1HD LYS 59 1HD LYS 59 -4.862 -13.304 -2.354 400 2HD LYS 59 2HD LYS 59 -3.278 -13.285 -1.580 401 1HE LYS 59 1HE LYS 59 -4.946 -14.420 0.355 402 2HE LYS 59 2HE LYS 59 -5.487 -15.146 -1.172 403 1HZ LYS 59 1HZ LYS 59 -2.988 -15.318 -1.667 404 2HZ LYS 59 2HZ LYS 59 -2.781 -15.134 0.010 405 3HZ LYS 59 3HZ LYS 59 -3.670 -16.447 -0.595 406 H VAL 60 H VAL 60 -3.984 -9.752 1.958 407 HA VAL 60 HA VAL 60 -2.504 -9.965 4.450 408 HB VAL 60 HB VAL 60 -2.659 -8.544 1.968 409 1HG1 VAL 60 1HG1 VAL 60 -3.212 -6.814 4.190 410 2HG1 VAL 60 2HG1 VAL 60 -1.680 -6.402 3.440 411 3HG1 VAL 60 3HG1 VAL 60 -3.159 -6.450 2.469 412 1HG2 VAL 60 1HG2 VAL 60 -0.720 -9.299 3.954 413 2HG2 VAL 60 2HG2 VAL 60 -0.650 -9.338 2.190 414 3HG2 VAL 60 3HG2 VAL 60 -0.310 -7.833 3.058 415 HA PRO 61 HA PRO 61 -5.667 -8.239 6.925 416 1HB PRO 61 1HB PRO 61 -4.553 -6.227 8.406 417 2HB PRO 61 2HB PRO 61 -4.227 -7.949 8.676 418 1HG PRO 61 1HG PRO 61 -2.554 -5.891 7.397 419 2HG PRO 61 2HG PRO 61 -2.089 -7.346 8.286 420 1HD PRO 61 1HD PRO 61 -2.068 -7.034 5.515 421 2HD PRO 61 2HD PRO 61 -1.965 -8.574 6.361 422 H ALA 62 H ALA 62 -7.245 -7.355 5.900 423 HA ALA 62 HA ALA 62 -7.216 -4.894 4.396 424 1HB ALA 62 1HB ALA 62 -8.815 -7.228 4.877 425 2HB ALA 62 2HB ALA 62 -9.827 -5.791 5.050 426 3HB ALA 62 3HB ALA 62 -8.943 -6.071 3.550 427 H ALA 63 H ALA 63 -6.322 -3.879 6.519 428 HA ALA 63 HA ALA 63 -7.558 -3.318 8.886 429 1HB ALA 63 1HB ALA 63 -5.483 -2.270 7.914 430 2HB ALA 63 2HB ALA 63 -6.522 -1.180 6.997 431 3HB ALA 63 3HB ALA 63 -6.519 -1.120 8.759 432 H ASN 64 H ASN 64 -9.174 -1.758 9.621 433 HA ASN 64 HA ASN 64 -11.397 -1.472 7.683 434 1HB ASN 64 1HB ASN 64 -12.728 -1.209 9.684 435 2HB ASN 64 2HB ASN 64 -11.593 -2.528 9.956 436 1HD2 ASN 64 2HD2 ASN 64 -12.388 -1.556 12.297 437 2HD2 ASN 64 1HD2 ASN 64 -11.278 -0.468 12.980 438 H GLU 65 H GLU 65 -12.579 0.626 9.384 439 HA GLU 65 HA GLU 65 -12.495 2.915 8.016 440 1HB GLU 65 1HB GLU 65 -12.980 4.066 10.095 441 2HB GLU 65 2HB GLU 65 -13.637 2.432 10.203 442 1HG GLU 65 1HG GLU 65 -11.312 1.842 11.252 443 2HG GLU 65 2HG GLU 65 -11.203 3.579 11.546 444 H ARG 66 H ARG 66 -9.762 1.897 10.080 445 HA ARG 66 HA ARG 66 -8.286 4.304 10.128 446 1HB ARG 66 1HB ARG 66 -7.903 1.495 10.565 447 2HB ARG 66 2HB ARG 66 -6.543 2.086 9.608 448 1HG ARG 66 1HG ARG 66 -6.305 3.974 11.270 449 2HG ARG 66 2HG ARG 66 -7.507 3.158 12.272 450 1HD ARG 66 1HD ARG 66 -5.217 1.497 11.317 451 2HD ARG 66 2HD ARG 66 -4.879 2.692 12.585 452 HE ARG 66 HE ARG 66 -6.716 0.388 12.834 453 1HH1 ARG 66 1HH2 ARG 66 -4.491 1.601 14.703 454 2HH1 ARG 66 2HH2 ARG 66 -5.483 2.113 16.026 455 1HH2 ARG 66 1HH1 ARG 66 -8.453 1.813 14.263 456 2HH2 ARG 66 2HH1 ARG 66 -7.726 2.233 15.777 457 H GLU 67 H GLU 67 -7.549 1.658 7.862 458 HA GLU 67 HA GLU 67 -6.267 3.321 5.919 459 1HB GLU 67 1HB GLU 67 -5.695 1.219 5.304 460 2HB GLU 67 2HB GLU 67 -6.877 0.573 6.435 461 1HG GLU 67 1HG GLU 67 -7.342 -0.277 4.193 462 2HG GLU 67 2HG GLU 67 -8.638 0.811 4.686 463 H ILE 68 H ILE 68 -9.558 1.972 6.093 464 HA ILE 68 HA ILE 68 -10.564 2.919 3.641 465 HB ILE 68 HB ILE 68 -11.614 2.161 6.325 466 1HG1 ILE 68 1HG1 ILE 68 -13.008 0.730 4.601 467 2HG1 ILE 68 2HG1 ILE 68 -11.747 1.241 3.472 468 1HG2 ILE 68 1HG2 ILE 68 -13.289 3.489 4.170 469 2HG2 ILE 68 2HG2 ILE 68 -13.957 2.565 5.515 470 3HG2 ILE 68 3HG2 ILE 68 -13.064 4.053 5.826 471 1HD1 ILE 68 1HD1 ILE 68 -10.570 0.401 5.980 472 2HD1 ILE 68 2HD1 ILE 68 -11.605 -0.874 5.336 473 3HD1 ILE 68 3HD1 ILE 68 -10.288 -0.228 4.356 474 H GLY 69 H GLY 69 -9.569 4.812 6.347 475 1HA GLY 69 1HA GLY 69 -11.372 7.051 5.633 476 2HA GLY 69 2HA GLY 69 -10.238 7.046 6.976 477 H MET 70 H MET 70 -7.864 7.215 6.375 478 HA MET 70 HA MET 70 -7.244 9.401 4.759 479 1HB MET 70 1HB MET 70 -4.962 8.178 4.563 480 2HB MET 70 2HB MET 70 -5.568 8.497 6.186 481 1HG MET 70 1HG MET 70 -6.650 5.998 5.315 482 2HG MET 70 2HG MET 70 -4.916 5.982 5.014 483 1HE MET 70 1HE MET 70 -4.657 4.232 6.170 484 2HE MET 70 2HE MET 70 -3.884 4.365 7.751 485 3HE MET 70 3HE MET 70 -5.562 3.802 7.624 486 H LEU 71 H LEU 71 -7.705 6.037 3.822 487 HA LEU 71 HA LEU 71 -6.951 6.260 1.029 488 1HB LEU 71 1HB LEU 71 -7.154 4.196 2.462 489 2HB LEU 71 2HB LEU 71 -8.882 4.464 2.488 490 HG LEU 71 HG LEU 71 -7.649 2.870 0.699 491 1HD1 LEU 71 1HD1 LEU 71 -10.220 4.362 0.826 492 2HD1 LEU 71 2HD1 LEU 71 -9.843 3.541 -0.687 493 3HD1 LEU 71 3HD1 LEU 71 -9.935 2.620 0.818 494 1HD2 LEU 71 1HD2 LEU 71 -7.989 5.574 -0.568 495 2HD2 LEU 71 2HD2 LEU 71 -6.512 4.632 -0.485 496 3HD2 LEU 71 3HD2 LEU 71 -7.847 4.088 -1.513 497 H GLU 72 H GLU 72 -9.993 6.466 2.856 498 HA GLU 72 HA GLU 72 -11.785 6.949 0.690 499 1HB GLU 72 1HB GLU 72 -12.875 6.512 2.677 500 2HB GLU 72 2HB GLU 72 -11.580 7.216 3.636 501 1HG GLU 72 1HG GLU 72 -13.475 8.944 2.060 502 2HG GLU 72 2HG GLU 72 -13.847 8.398 3.696 503 H CYS 73 H CYS 73 -9.465 8.938 2.380 504 HA CYS 73 HA CYS 73 -10.496 11.530 1.538 505 1HB CYS 73 1HB CYS 73 -8.553 10.381 3.290 506 2HB CYS 73 2HB CYS 73 -7.727 11.550 2.263 507 HG CYS 73 HG CYS 73 -10.296 12.360 3.852 508 H VAL 74 H VAL 74 -7.816 9.423 0.458 509 HA VAL 74 HA VAL 74 -6.448 10.934 -1.386 510 HB VAL 74 HB VAL 74 -6.062 8.879 -2.573 511 1HG1 VAL 74 1HG1 VAL 74 -5.510 9.071 -0.019 512 2HG1 VAL 74 2HG1 VAL 74 -6.814 7.901 0.173 513 3HG1 VAL 74 3HG1 VAL 74 -5.401 7.493 -0.793 514 1HG2 VAL 74 1HG2 VAL 74 -8.850 8.510 -1.814 515 2HG2 VAL 74 2HG2 VAL 74 -7.964 7.836 -3.185 516 3HG2 VAL 74 3HG2 VAL 74 -7.882 7.046 -1.608 517 H THR 75 H THR 75 -6.782 11.547 -3.597 518 HA THR 75 HA THR 75 -9.626 11.555 -4.526 519 HB THR 75 HB THR 75 -7.355 13.565 -4.675 520 HG1 THR 75 HG1 THR 75 -8.373 14.074 -2.902 521 1HG2 THR 75 1HG2 THR 75 -9.882 13.340 -6.251 522 2HG2 THR 75 2HG2 THR 75 -9.315 14.942 -5.781 523 3HG2 THR 75 3HG2 THR 75 -8.285 13.894 -6.757 524 H ALA 76 H ALA 76 -7.387 9.568 -5.084 525 HA ALA 76 HA ALA 76 -6.625 10.268 -7.851 526 1HB ALA 76 1HB ALA 76 -5.649 8.767 -5.657 527 2HB ALA 76 2HB ALA 76 -5.785 7.673 -7.032 528 3HB ALA 76 3HB ALA 76 -4.826 9.145 -7.162 529 H GLU 77 H GLU 77 -7.446 7.059 -6.798 530 HA GLU 77 HA GLU 77 -9.686 6.850 -8.684 531 1HB GLU 77 1HB GLU 77 -8.222 6.246 -10.246 532 2HB GLU 77 2HB GLU 77 -6.908 6.327 -9.112 533 1HG GLU 77 1HG GLU 77 -7.158 4.019 -8.529 534 2HG GLU 77 2HG GLU 77 -8.719 3.918 -9.348 535 H LEU 78 H LEU 78 -10.309 6.549 -6.153 536 HA LEU 78 HA LEU 78 -9.354 4.308 -4.796 537 1HB LEU 78 1HB LEU 78 -11.044 6.262 -4.112 538 2HB LEU 78 2HB LEU 78 -12.181 4.905 -4.261 539 HG LEU 78 HG LEU 78 -9.983 3.746 -3.131 540 1HD1 LEU 78 1HD1 LEU 78 -10.045 6.564 -2.331 541 2HD1 LEU 78 2HD1 LEU 78 -9.784 5.373 -1.054 542 3HD1 LEU 78 3HD1 LEU 78 -8.701 5.423 -2.447 543 1HD2 LEU 78 1HD2 LEU 78 -12.648 4.097 -2.478 544 2HD2 LEU 78 2HD2 LEU 78 -11.482 2.997 -1.730 545 3HD2 LEU 78 3HD2 LEU 78 -11.747 4.617 -1.046 546 H LYS 79 H LYS 79 -10.039 2.374 -4.329 547 HA LYS 79 HA LYS 79 -11.507 0.898 -6.476 548 1HB LYS 79 1HB LYS 79 -8.910 0.930 -5.151 549 2HB LYS 79 2HB LYS 79 -9.630 -0.676 -5.124 550 1HG LYS 79 1HG LYS 79 -8.174 -0.232 -7.133 551 2HG LYS 79 2HG LYS 79 -9.819 -0.696 -7.531 552 1HD LYS 79 1HD LYS 79 -9.424 2.195 -7.173 553 2HD LYS 79 2HD LYS 79 -8.558 1.508 -8.544 554 1HE LYS 79 1HE LYS 79 -11.330 0.537 -8.291 555 2HE LYS 79 2HE LYS 79 -11.194 2.275 -8.621 556 1HZ LYS 79 1HZ LYS 79 -9.479 1.652 -10.327 557 2HZ LYS 79 2HZ LYS 79 -9.973 0.040 -10.140 558 3HZ LYS 79 3HZ LYS 79 -11.072 1.204 -10.709 559 HA PRO 80 HA PRO 80 -13.496 -1.368 -3.172 560 1HB PRO 80 1HB PRO 80 -13.192 -3.969 -3.949 561 2HB PRO 80 2HB PRO 80 -14.287 -2.854 -4.790 562 1HG PRO 80 1HG PRO 80 -11.636 -3.872 -5.597 563 2HG PRO 80 2HG PRO 80 -13.004 -3.360 -6.594 564 1HD PRO 80 1HD PRO 80 -10.693 -1.873 -6.072 565 2HD PRO 80 2HD PRO 80 -12.206 -1.252 -6.763 566 H ASN 81 H ASN 81 -10.279 -2.281 -4.162 567 HA ASN 81 HA ASN 81 -9.642 -3.403 -1.466 568 1HB ASN 81 1HB ASN 81 -8.146 -4.777 -2.585 569 2HB ASN 81 2HB ASN 81 -9.286 -4.491 -3.897 570 1HD2 ASN 81 2HD2 ASN 81 -8.386 -3.620 -5.790 571 2HD2 ASN 81 1HD2 ASN 81 -6.865 -2.892 -5.897 572 H SER 82 H SER 82 -9.698 -0.441 -2.637 573 HA SER 82 HA SER 82 -7.194 0.753 -2.831 574 1HB SER 82 1HB SER 82 -9.835 1.427 -1.707 575 2HB SER 82 2HB SER 82 -8.489 2.430 -1.179 576 HG SER 82 HG SER 82 -8.260 3.175 -3.096 577 H ARG 83 H ARG 83 -5.552 1.340 -1.319 578 HA ARG 83 HA ARG 83 -6.008 0.737 1.535 579 1HB ARG 83 1HB ARG 83 -4.356 -0.926 -0.322 580 2HB ARG 83 2HB ARG 83 -3.891 -0.810 1.368 581 1HG ARG 83 1HG ARG 83 -6.518 -1.845 0.267 582 2HG ARG 83 2HG ARG 83 -5.271 -2.775 1.087 583 1HD ARG 83 1HD ARG 83 -6.786 -0.505 2.419 584 2HD ARG 83 2HD ARG 83 -7.225 -2.211 2.567 585 HE ARG 83 HE ARG 83 -4.761 -0.977 3.646 586 1HH1 ARG 83 1HH1 ARG 83 -6.013 -3.882 2.393 587 2HH1 ARG 83 2HH1 ARG 83 -5.445 -4.870 3.697 588 1HH2 ARG 83 1HH2 ARG 83 -4.307 -2.193 5.577 589 2HH2 ARG 83 2HH2 ARG 83 -4.479 -3.913 5.498 590 H LEU 84 H LEU 84 -4.405 1.517 2.885 591 HA LEU 84 HA LEU 84 -2.491 3.445 1.650 592 1HB LEU 84 1HB LEU 84 -3.829 3.175 4.364 593 2HB LEU 84 2HB LEU 84 -2.549 4.341 4.051 594 HG LEU 84 HG LEU 84 -5.257 4.798 3.698 595 1HD1 LEU 84 1HD1 LEU 84 -3.453 6.467 3.955 596 2HD1 LEU 84 2HD1 LEU 84 -2.944 6.163 2.295 597 3HD1 LEU 84 3HD1 LEU 84 -4.525 6.875 2.616 598 1HD2 LEU 84 1HD2 LEU 84 -4.009 4.196 0.999 599 2HD2 LEU 84 2HD2 LEU 84 -5.457 3.468 1.691 600 3HD2 LEU 84 3HD2 LEU 84 -5.466 5.162 1.208 601 H CYS 85 H CYS 85 -0.629 2.308 1.358 602 HA CYS 85 HA CYS 85 0.348 -0.004 2.268 603 1HB CYS 85 1HB CYS 85 2.625 1.148 2.212 604 2HB CYS 85 2HB CYS 85 1.605 1.365 0.800 605 HG CYS 85 HG CYS 85 2.644 3.686 1.820 606 H CYS 86 H CYS 86 0.072 2.830 4.420 607 HA CYS 86 HA CYS 86 1.691 1.708 6.548 608 1HB CYS 86 1HB CYS 86 0.509 3.451 7.912 609 2HB CYS 86 2HB CYS 86 1.241 4.080 6.441 610 H GLN 87 H GLN 87 -1.206 0.591 5.314 611 HA GLN 87 HA GLN 87 -1.950 -0.566 7.978 612 1HB GLN 87 1HB GLN 87 -3.381 1.165 6.313 613 2HB GLN 87 2HB GLN 87 -4.098 -0.417 6.017 614 1HG GLN 87 1HG GLN 87 -5.324 0.288 7.866 615 2HG GLN 87 2HG GLN 87 -4.023 -0.613 8.646 616 1HE2 GLN 87 2HE2 GLN 87 -2.016 0.827 9.214 617 2HE2 GLN 87 1HE2 GLN 87 -2.347 2.391 9.787 618 H ILE 88 H ILE 88 -0.738 -1.298 4.953 619 HA ILE 88 HA ILE 88 -2.126 -3.922 4.727 620 HB ILE 88 HB ILE 88 -0.413 -2.152 3.003 621 1HG1 ILE 88 1HG1 ILE 88 -2.961 -2.145 3.076 622 2HG1 ILE 88 2HG1 ILE 88 -2.242 -2.362 1.480 623 1HG2 ILE 88 1HG2 ILE 88 -0.438 -5.111 2.957 624 2HG2 ILE 88 2HG2 ILE 88 -0.727 -4.330 1.403 625 3HG2 ILE 88 3HG2 ILE 88 0.749 -3.984 2.303 626 1HD1 ILE 88 1HD1 ILE 88 -2.476 -4.845 1.785 627 2HD1 ILE 88 2HD1 ILE 88 -3.360 -4.528 3.277 628 3HD1 ILE 88 3HD1 ILE 88 -4.016 -3.990 1.732 629 H ILE 89 H ILE 89 -1.181 -5.465 6.116 630 HA ILE 89 HA ILE 89 1.704 -5.398 6.678 631 HB ILE 89 HB ILE 89 -0.488 -7.315 7.481 632 1HG1 ILE 89 1HG1 ILE 89 -1.194 -5.412 8.587 633 2HG1 ILE 89 2HG1 ILE 89 0.031 -5.942 9.736 634 1HG2 ILE 89 1HG2 ILE 89 2.308 -6.880 8.521 635 2HG2 ILE 89 2HG2 ILE 89 1.104 -7.906 9.296 636 3HG2 ILE 89 3HG2 ILE 89 1.707 -8.315 7.686 637 1HD1 ILE 89 1HD1 ILE 89 1.677 -4.493 8.359 638 2HD1 ILE 89 2HD1 ILE 89 0.234 -3.769 7.646 639 3HD1 ILE 89 3HD1 ILE 89 0.517 -3.648 9.385 640 H MET 90 H MET 90 3.151 -6.627 5.563 641 HA MET 90 HA MET 90 2.242 -8.344 3.403 642 1HB MET 90 1HB MET 90 4.304 -6.642 3.825 643 2HB MET 90 2HB MET 90 5.078 -8.170 4.248 644 1HG MET 90 1HG MET 90 5.311 -7.590 1.840 645 2HG MET 90 2HG MET 90 4.487 -9.117 2.110 646 1HE MET 90 1HE MET 90 2.889 -9.698 0.500 647 2HE MET 90 2HE MET 90 1.971 -9.499 2.005 648 3HE MET 90 3HE MET 90 1.280 -8.933 0.489 649 H THR 91 H THR 91 1.853 -10.513 3.707 650 HA THR 91 HA THR 91 3.301 -11.784 6.024 651 HB THR 91 HB THR 91 1.107 -13.337 5.221 652 HG1 THR 91 HG1 THR 91 0.294 -10.687 5.650 653 1HG2 THR 91 1HG2 THR 91 1.962 -11.731 7.528 654 2HG2 THR 91 2HG2 THR 91 0.236 -12.089 7.445 655 3HG2 THR 91 3HG2 THR 91 1.410 -13.406 7.456 656 HA PRO 92 HA PRO 92 5.482 -14.441 3.464 657 1HB PRO 92 1HB PRO 92 5.091 -16.864 4.702 658 2HB PRO 92 2HB PRO 92 6.193 -15.621 5.314 659 1HG PRO 92 1HG PRO 92 3.373 -16.219 6.112 660 2HG PRO 92 2HG PRO 92 4.787 -15.900 7.136 661 1HD PRO 92 1HD PRO 92 3.011 -13.979 6.672 662 2HD PRO 92 2HD PRO 92 4.753 -13.608 6.688 663 H GLU 93 H GLU 93 2.203 -15.498 4.292 664 HA GLU 93 HA GLU 93 1.835 -17.359 2.165 665 1HB GLU 93 1HB GLU 93 -0.614 -16.388 2.370 666 2HB GLU 93 2HB GLU 93 0.067 -17.361 3.671 667 1HG GLU 93 1HG GLU 93 0.531 -15.459 4.975 668 2HG GLU 93 2HG GLU 93 0.361 -14.374 3.601 669 H LEU 94 H LEU 94 1.566 -13.897 2.351 670 HA LEU 94 HA LEU 94 0.692 -13.588 -0.423 671 1HB LEU 94 1HB LEU 94 1.211 -11.793 1.945 672 2HB LEU 94 2HB LEU 94 0.732 -11.159 0.383 673 HG LEU 94 HG LEU 94 -0.764 -13.415 1.673 674 1HD1 LEU 94 1HD1 LEU 94 -0.634 -11.043 2.930 675 2HD1 LEU 94 2HD1 LEU 94 -1.860 -10.649 1.721 676 3HD1 LEU 94 3HD1 LEU 94 -2.123 -11.983 2.847 677 1HD2 LEU 94 1HD2 LEU 94 -0.676 -12.481 -0.826 678 2HD2 LEU 94 2HD2 LEU 94 -2.146 -13.141 -0.105 679 3HD2 LEU 94 3HD2 LEU 94 -1.888 -11.397 -0.156 680 H ASP 95 H ASP 95 3.425 -14.663 -0.047 681 HA ASP 95 HA ASP 95 5.342 -12.588 -0.479 682 1HB ASP 95 1HB ASP 95 6.747 -14.462 -1.252 683 2HB ASP 95 2HB ASP 95 5.818 -14.956 0.165 684 H GLY 96 H GLY 96 4.967 -11.097 -2.203 685 1HA GLY 96 1HA GLY 96 5.446 -11.041 -4.698 686 2HA GLY 96 2HA GLY 96 4.255 -12.330 -4.841 687 H ILE 97 H ILE 97 3.578 -9.847 -2.552 688 HA ILE 97 HA ILE 97 1.090 -9.123 -3.591 689 HB ILE 97 HB ILE 97 1.500 -8.579 -1.332 690 1HG1 ILE 97 1HG1 ILE 97 1.304 -6.221 -1.094 691 2HG1 ILE 97 2HG1 ILE 97 2.185 -5.922 -2.597 692 1HG2 ILE 97 1HG2 ILE 97 4.155 -8.094 -2.372 693 2HG2 ILE 97 2HG2 ILE 97 3.690 -6.892 -1.167 694 3HG2 ILE 97 3HG2 ILE 97 3.651 -8.616 -0.772 695 1HD1 ILE 97 1HD1 ILE 97 0.060 -7.620 -3.249 696 2HD1 ILE 97 2HD1 ILE 97 -0.621 -6.378 -2.211 697 3HD1 ILE 97 3HD1 ILE 97 0.233 -5.926 -3.686 698 H VAL 98 H VAL 98 0.398 -7.594 -4.985 699 HA VAL 98 HA VAL 98 2.478 -6.005 -6.431 700 HB VAL 98 HB VAL 98 -0.263 -6.699 -7.460 701 1HG1 VAL 98 1HG1 VAL 98 2.465 -6.210 -8.667 702 2HG1 VAL 98 2HG1 VAL 98 1.115 -6.846 -9.608 703 3HG1 VAL 98 3HG1 VAL 98 1.001 -5.248 -8.871 704 1HG2 VAL 98 1HG2 VAL 98 2.135 -8.565 -7.389 705 2HG2 VAL 98 2HG2 VAL 98 0.553 -8.863 -6.659 706 3HG2 VAL 98 3HG2 VAL 98 0.726 -8.817 -8.418 707 H VAL 99 H VAL 99 2.320 -3.891 -5.592 708 HA VAL 99 HA VAL 99 -0.374 -2.965 -4.674 709 HB VAL 99 HB VAL 99 1.976 -1.178 -4.399 710 1HG1 VAL 99 1HG1 VAL 99 -0.488 -2.011 -3.054 711 2HG1 VAL 99 2HG1 VAL 99 0.862 -1.797 -1.935 712 3HG1 VAL 99 3HG1 VAL 99 0.363 -0.463 -2.978 713 1HG2 VAL 99 1HG2 VAL 99 1.898 -3.875 -3.002 714 2HG2 VAL 99 2HG2 VAL 99 3.167 -3.287 -4.081 715 3HG2 VAL 99 3HG2 VAL 99 2.918 -2.516 -2.513 716 H ASP 100 H ASP 100 -1.150 -0.892 -5.400 717 HA ASP 100 HA ASP 100 -0.068 -0.121 -8.085 718 1HB ASP 100 1HB ASP 100 -2.642 -1.031 -7.144 719 2HB ASP 100 2HB ASP 100 -2.783 0.531 -7.951 720 H VAL 101 H VAL 101 0.626 1.907 -8.139 721 HA VAL 101 HA VAL 101 -0.237 3.761 -5.989 722 HB VAL 101 HB VAL 101 2.026 3.700 -7.994 723 1HG1 VAL 101 1HG1 VAL 101 1.241 6.021 -7.537 724 2HG1 VAL 101 2HG1 VAL 101 1.512 5.737 -5.819 725 3HG1 VAL 101 3HG1 VAL 101 2.873 5.717 -6.942 726 1HG2 VAL 101 1HG2 VAL 101 2.070 2.151 -6.003 727 2HG2 VAL 101 2HG2 VAL 101 3.412 3.296 -6.056 728 3HG2 VAL 101 3HG2 VAL 101 2.052 3.581 -4.968 729 HA PRO 102 HA PRO 102 -2.651 5.842 -9.076 730 1HB PRO 102 1HB PRO 102 -3.693 7.707 -7.390 731 2HB PRO 102 2HB PRO 102 -4.191 6.010 -7.377 732 1HG PRO 102 1HG PRO 102 -2.564 7.477 -5.446 733 2HG PRO 102 2HG PRO 102 -3.501 5.994 -5.244 734 1HD PRO 102 1HD PRO 102 -0.687 6.243 -5.611 735 2HD PRO 102 2HD PRO 102 -1.651 4.762 -5.461 736 H ASP 103 H ASP 103 -3.052 8.248 -9.689 737 HA ASP 103 HA ASP 103 -0.433 9.623 -9.897 738 1HB ASP 103 1HB ASP 103 -3.146 9.773 -11.201 739 2HB ASP 103 2HB ASP 103 -1.997 11.095 -11.407 740 H ARG 104 H ARG 104 -3.419 9.812 -8.159 741 HA ARG 104 HA ARG 104 -2.778 12.564 -7.175 742 1HB ARG 104 1HB ARG 104 -5.046 11.750 -8.324 743 2HB ARG 104 2HB ARG 104 -5.365 11.112 -6.712 744 1HG ARG 104 1HG ARG 104 -5.861 13.161 -5.933 745 2HG ARG 104 2HG ARG 104 -4.327 13.802 -6.523 746 1HD ARG 104 1HD ARG 104 -6.876 13.474 -8.143 747 2HD ARG 104 2HD ARG 104 -6.120 15.004 -7.653 748 HE ARG 104 HE ARG 104 -4.265 13.269 -9.055 749 1HH1 ARG 104 1HH1 ARG 104 -5.510 16.316 -9.044 750 2HH1 ARG 104 2HH1 ARG 104 -5.604 16.510 -10.763 751 1HH2 ARG 104 1HH2 ARG 104 -4.947 13.173 -11.440 752 2HH2 ARG 104 2HH2 ARG 104 -5.286 14.730 -12.119 753 H GLN 105 H GLN 105 -1.121 11.377 -5.790 754 HA GLN 105 HA GLN 105 -2.355 9.650 -3.729 755 1HB GLN 105 1HB GLN 105 0.563 10.412 -4.050 756 2HB GLN 105 2HB GLN 105 -0.103 8.959 -3.307 757 1HG GLN 105 1HG GLN 105 -0.823 8.102 -5.433 758 2HG GLN 105 2HG GLN 105 -0.470 9.631 -6.236 759 1HE2 GLN 105 2HE2 GLN 105 1.378 7.424 -4.041 760 2HE2 GLN 105 1HE2 GLN 105 2.773 7.404 -5.007 761 H TRP 106 H TRP 106 -3.243 12.227 -3.398 762 HA TRP 106 HA TRP 106 -1.545 13.921 -1.763 763 1HB TRP 106 1HB TRP 106 -3.383 15.336 -1.856 764 2HB TRP 106 2HB TRP 106 -3.720 14.311 -3.254 765 HD1 TRP 106 HD1 TRP 106 -5.928 12.962 -3.187 766 HE1 TRP 106 HE1 TRP 106 -7.752 12.539 -1.386 767 HE3 TRP 106 HE3 TRP 106 -3.642 15.126 0.755 768 HZ2 TRP 106 HZ2 TRP 106 -8.158 13.148 1.412 769 HZ3 TRP 106 HZ3 TRP 106 -4.730 15.227 2.977 770 HH2 TRP 106 HH2 TRP 106 -6.987 14.236 3.319 Start of MODEL 14 1 3H SER 1 3H SER 1 8.027 -12.224 3.582 2 1H SER 1 1H SER 1 9.001 -11.132 2.718 3 2H SER 1 2H SER 1 7.554 -10.600 3.425 4 HA SER 1 HA SER 1 7.388 -12.781 1.464 5 1HB SER 1 1HB SER 1 5.523 -10.536 1.404 6 2HB SER 1 2HB SER 1 5.225 -12.234 1.687 7 HG SER 1 HG SER 1 5.724 -10.197 3.504 8 H LYS 2 H LYS 2 6.933 -12.038 -0.811 9 HA LYS 2 HA LYS 2 8.878 -10.064 -1.707 10 1HB LYS 2 1HB LYS 2 6.844 -11.937 -2.856 11 2HB LYS 2 2HB LYS 2 7.533 -10.681 -3.873 12 1HG LYS 2 1HG LYS 2 8.660 -12.986 -3.829 13 2HG LYS 2 2HG LYS 2 9.686 -11.561 -3.695 14 1HD LYS 2 1HD LYS 2 9.915 -11.842 -1.324 15 2HD LYS 2 2HD LYS 2 8.635 -13.056 -1.282 16 1HE LYS 2 1HE LYS 2 10.104 -14.715 -1.764 17 2HE LYS 2 2HE LYS 2 10.755 -13.809 -3.145 18 1HZ LYS 2 1HZ LYS 2 11.354 -12.967 -0.382 19 2HZ LYS 2 2HZ LYS 2 12.272 -14.194 -1.117 20 3HZ LYS 2 3HZ LYS 2 12.219 -12.641 -1.804 21 H VAL 3 H VAL 3 8.336 -8.011 -2.423 22 HA VAL 3 HA VAL 3 5.504 -7.213 -2.461 23 HB VAL 3 HB VAL 3 7.830 -6.033 -0.989 24 1HG1 VAL 3 1HG1 VAL 3 6.458 -4.296 -2.329 25 2HG1 VAL 3 2HG1 VAL 3 5.086 -4.746 -1.264 26 3HG1 VAL 3 3HG1 VAL 3 6.566 -4.047 -0.571 27 1HG2 VAL 3 1HG2 VAL 3 6.062 -7.891 -0.294 28 2HG2 VAL 3 2HG2 VAL 3 6.638 -6.701 0.860 29 3HG2 VAL 3 3HG2 VAL 3 5.093 -6.477 0.067 30 H VAL 4 H VAL 4 4.995 -6.026 -4.173 31 HA VAL 4 HA VAL 4 7.211 -4.617 -5.580 32 HB VAL 4 HB VAL 4 5.269 -6.548 -6.830 33 1HG1 VAL 4 1HG1 VAL 4 6.388 -4.395 -8.056 34 2HG1 VAL 4 2HG1 VAL 4 7.646 -5.605 -8.308 35 3HG1 VAL 4 3HG1 VAL 4 6.008 -5.901 -8.891 36 1HG2 VAL 4 1HG2 VAL 4 7.014 -7.635 -5.479 37 2HG2 VAL 4 2HG2 VAL 4 7.262 -7.941 -7.199 38 3HG2 VAL 4 3HG2 VAL 4 8.249 -6.740 -6.365 39 H TYR 5 H TYR 5 6.262 -2.640 -4.941 40 HA TYR 5 HA TYR 5 3.504 -1.944 -5.299 41 1HB TYR 5 1HB TYR 5 5.972 -0.195 -5.224 42 2HB TYR 5 2HB TYR 5 4.336 0.308 -4.860 43 HD1 TYR 5 HD1 TYR 5 7.095 -2.003 -3.651 44 HD2 TYR 5 HD2 TYR 5 3.466 0.134 -2.721 45 HE1 TYR 5 HE1 TYR 5 7.423 -2.477 -1.320 46 HE2 TYR 5 HE2 TYR 5 3.827 -0.357 -0.338 47 HH TYR 5 HH TYR 5 6.330 -2.567 0.735 48 H VAL 6 H VAL 6 2.659 -0.563 -6.981 49 HA VAL 6 HA VAL 6 4.321 -0.586 -9.467 50 HB VAL 6 HB VAL 6 1.333 -0.786 -9.025 51 1HG1 VAL 6 1HG1 VAL 6 2.989 -0.789 -11.547 52 2HG1 VAL 6 2HG1 VAL 6 1.274 -1.191 -11.474 53 3HG1 VAL 6 3HG1 VAL 6 1.817 0.434 -11.060 54 1HG2 VAL 6 1HG2 VAL 6 3.472 -2.750 -9.869 55 2HG2 VAL 6 2HG2 VAL 6 2.424 -2.863 -8.446 56 3HG2 VAL 6 3HG2 VAL 6 1.746 -3.058 -10.072 57 H SER 7 H SER 7 3.509 1.258 -10.994 58 HA SER 7 HA SER 7 3.195 3.728 -9.336 59 1HB SER 7 1HB SER 7 4.414 4.810 -11.083 60 2HB SER 7 2HB SER 7 5.210 3.257 -10.853 61 HG SER 7 HG SER 7 4.195 4.198 -13.064 62 H HIS 8 H HIS 8 2.424 5.366 -11.516 63 HA HIS 8 HA HIS 8 -0.421 4.571 -11.771 64 1HB HIS 8 1HB HIS 8 0.530 7.025 -13.124 65 2HB HIS 8 2HB HIS 8 -0.781 6.830 -11.973 66 HD1 HIS 8 HD1 HIS 8 0.903 5.699 -9.602 67 HD2 HIS 8 HD2 HIS 8 1.990 9.031 -11.843 68 HE1 HIS 8 HE1 HIS 8 2.414 7.095 -8.122 69 H ASP 9 H ASP 9 2.529 4.881 -13.586 70 HA ASP 9 HA ASP 9 1.214 4.281 -16.172 71 1HB ASP 9 1HB ASP 9 3.348 4.836 -17.096 72 2HB ASP 9 2HB ASP 9 3.121 5.959 -15.756 73 H GLY 10 H GLY 10 2.553 2.626 -13.530 74 1HA GLY 10 1HA GLY 10 2.243 0.149 -13.530 75 2HA GLY 10 2HA GLY 10 2.850 0.153 -15.188 76 H THR 11 H THR 11 4.787 2.364 -13.692 77 HA THR 11 HA THR 11 7.028 0.600 -13.614 78 HB THR 11 HB THR 11 6.440 3.395 -13.355 79 HG1 THR 11 HG1 THR 11 8.707 3.443 -13.922 80 1HG2 THR 11 1HG2 THR 11 8.120 2.161 -11.196 81 2HG2 THR 11 2HG2 THR 11 8.543 3.759 -11.817 82 3HG2 THR 11 3HG2 THR 11 6.969 3.499 -11.066 83 H ARG 12 H ARG 12 7.687 -0.652 -11.973 84 HA ARG 12 HA ARG 12 6.273 -0.413 -9.348 85 1HB ARG 12 1HB ARG 12 7.400 -2.997 -10.380 86 2HB ARG 12 2HB ARG 12 6.005 -2.734 -9.336 87 1HG ARG 12 1HG ARG 12 4.885 -3.200 -11.289 88 2HG ARG 12 2HG ARG 12 5.107 -1.465 -11.521 89 1HD ARG 12 1HD ARG 12 6.576 -1.771 -13.241 90 2HD ARG 12 2HD ARG 12 7.396 -3.111 -12.415 91 HE ARG 12 HE ARG 12 4.781 -3.402 -13.847 92 1HH1 ARG 12 1HH2 ARG 12 7.514 -4.338 -14.929 93 2HH1 ARG 12 2HH2 ARG 12 7.432 -6.031 -14.572 94 1HH2 ARG 12 1HH1 ARG 12 4.769 -5.709 -12.375 95 2HH2 ARG 12 2HH1 ARG 12 5.877 -6.807 -13.126 96 H ARG 13 H ARG 13 7.482 -1.798 -7.635 97 HA ARG 13 HA ARG 13 10.438 -1.448 -7.707 98 1HB ARG 13 1HB ARG 13 9.488 -1.090 -5.050 99 2HB ARG 13 2HB ARG 13 10.227 0.143 -6.068 100 1HG ARG 13 1HG ARG 13 7.309 -0.475 -6.379 101 2HG ARG 13 2HG ARG 13 7.837 0.519 -5.027 102 1HD ARG 13 1HD ARG 13 9.044 2.003 -6.683 103 2HD ARG 13 2HD ARG 13 8.269 1.077 -7.984 104 HE ARG 13 HE ARG 13 6.141 1.701 -6.372 105 1HH1 ARG 13 1HH1 ARG 13 8.221 3.274 -8.531 106 2HH1 ARG 13 2HH1 ARG 13 7.551 4.851 -8.282 107 1HH2 ARG 13 1HH2 ARG 13 5.482 3.854 -5.684 108 2HH2 ARG 13 2HH2 ARG 13 6.000 5.179 -6.672 109 H GLU 14 H GLU 14 11.184 -2.848 -5.587 110 HA GLU 14 HA GLU 14 9.220 -5.002 -5.086 111 1HB GLU 14 1HB GLU 14 12.007 -5.723 -6.064 112 2HB GLU 14 2HB GLU 14 10.571 -6.741 -6.013 113 1HG GLU 14 1HG GLU 14 10.801 -6.198 -8.296 114 2HG GLU 14 2HG GLU 14 9.573 -5.077 -7.728 115 H LEU 15 H LEU 15 9.305 -5.082 -2.893 116 HA LEU 15 HA LEU 15 11.887 -4.739 -1.430 117 1HB LEU 15 1HB LEU 15 9.028 -4.729 -0.453 118 2HB LEU 15 2HB LEU 15 10.425 -4.065 0.368 119 HG LEU 15 HG LEU 15 8.832 -3.006 -1.859 120 1HD1 LEU 15 1HD1 LEU 15 9.444 -2.408 0.816 121 2HD1 LEU 15 2HD1 LEU 15 10.236 -1.156 -0.137 122 3HD1 LEU 15 3HD1 LEU 15 8.495 -1.415 -0.285 123 1HD2 LEU 15 1HD2 LEU 15 11.769 -2.976 -1.786 124 2HD2 LEU 15 2HD2 LEU 15 10.673 -2.613 -3.119 125 3HD2 LEU 15 3HD2 LEU 15 11.040 -1.378 -1.912 126 H ASP 16 H ASP 16 10.747 -5.783 0.928 127 HA ASP 16 HA ASP 16 10.015 -8.588 0.479 128 1HB ASP 16 1HB ASP 16 12.600 -8.216 0.411 129 2HB ASP 16 2HB ASP 16 12.454 -7.900 2.141 130 H VAL 17 H VAL 17 8.122 -7.406 1.518 131 HA VAL 17 HA VAL 17 8.493 -6.552 4.360 132 HB VAL 17 HB VAL 17 5.980 -6.818 2.630 133 1HG1 VAL 17 1HG1 VAL 17 6.192 -6.252 5.271 134 2HG1 VAL 17 2HG1 VAL 17 6.301 -4.628 4.575 135 3HG1 VAL 17 3HG1 VAL 17 4.901 -5.646 4.246 136 1HG2 VAL 17 1HG2 VAL 17 8.223 -5.213 2.105 137 2HG2 VAL 17 2HG2 VAL 17 6.607 -4.997 1.434 138 3HG2 VAL 17 3HG2 VAL 17 7.074 -4.138 2.899 139 H ALA 18 H ALA 18 8.466 -8.102 5.867 140 HA ALA 18 HA ALA 18 7.430 -10.802 5.274 141 1HB ALA 18 1HB ALA 18 8.858 -9.507 7.608 142 2HB ALA 18 2HB ALA 18 8.435 -11.219 7.555 143 3HB ALA 18 3HB ALA 18 9.572 -10.554 6.377 144 H ASP 19 H ASP 19 6.431 -11.779 7.467 145 HA ASP 19 HA ASP 19 3.819 -10.557 7.804 146 1HB ASP 19 1HB ASP 19 4.471 -12.255 10.033 147 2HB ASP 19 2HB ASP 19 3.399 -12.615 8.686 148 H GLY 20 H GLY 20 3.618 -8.688 8.810 149 1HA GLY 20 1HA GLY 20 3.645 -7.558 11.037 150 2HA GLY 20 2HA GLY 20 5.273 -8.196 11.251 151 H VAL 21 H VAL 21 5.620 -7.444 8.164 152 HA VAL 21 HA VAL 21 6.428 -4.667 8.834 153 HB VAL 21 HB VAL 21 7.136 -6.556 6.567 154 1HG1 VAL 21 1HG1 VAL 21 6.863 -3.867 6.229 155 2HG1 VAL 21 2HG1 VAL 21 8.546 -4.002 6.726 156 3HG1 VAL 21 3HG1 VAL 21 7.971 -4.886 5.315 157 1HG2 VAL 21 1HG2 VAL 21 8.802 -5.154 8.625 158 2HG2 VAL 21 2HG2 VAL 21 8.391 -6.875 8.638 159 3HG2 VAL 21 3HG2 VAL 21 9.402 -6.214 7.340 160 H SER 22 H SER 22 5.372 -3.009 7.837 161 HA SER 22 HA SER 22 3.040 -3.775 6.140 162 1HB SER 22 1HB SER 22 2.971 -1.038 6.525 163 2HB SER 22 2HB SER 22 2.208 -2.210 7.596 164 HG SER 22 HG SER 22 4.708 -0.921 7.832 165 H LEU 23 H LEU 23 2.930 -3.062 3.935 166 HA LEU 23 HA LEU 23 5.274 -2.758 2.442 167 1HB LEU 23 1HB LEU 23 2.496 -1.648 2.164 168 2HB LEU 23 2HB LEU 23 3.691 -1.467 0.911 169 HG LEU 23 HG LEU 23 2.539 -4.035 1.964 170 1HD1 LEU 23 1HD1 LEU 23 1.361 -2.757 0.166 171 2HD1 LEU 23 2HD1 LEU 23 2.807 -2.944 -0.824 172 3HD1 LEU 23 3HD1 LEU 23 1.889 -4.366 -0.326 173 1HD2 LEU 23 1HD2 LEU 23 4.961 -3.577 0.257 174 2HD2 LEU 23 2HD2 LEU 23 4.883 -4.439 1.794 175 3HD2 LEU 23 3HD2 LEU 23 4.115 -5.111 0.357 176 H MET 24 H MET 24 3.560 -0.523 4.451 177 HA MET 24 HA MET 24 4.670 1.973 3.691 178 1HB MET 24 1HB MET 24 3.051 2.365 5.210 179 2HB MET 24 2HB MET 24 3.122 0.691 5.747 180 1HG MET 24 1HG MET 24 4.275 1.281 7.613 181 2HG MET 24 2HG MET 24 5.422 2.235 6.685 182 1HE MET 24 1HE MET 24 5.829 4.363 7.029 183 2HE MET 24 2HE MET 24 4.742 4.764 5.701 184 3HE MET 24 3HE MET 24 4.689 5.697 7.204 185 H GLN 25 H GLN 25 5.789 -0.564 5.833 186 HA GLN 25 HA GLN 25 8.145 0.856 6.744 187 1HB GLN 25 1HB GLN 25 7.224 -0.783 8.156 188 2HB GLN 25 2HB GLN 25 7.011 -1.919 6.824 189 1HG GLN 25 1HG GLN 25 9.371 -2.359 6.711 190 2HG GLN 25 2HG GLN 25 9.736 -1.006 7.779 191 1HE2 GLN 25 2HE2 GLN 25 6.932 -2.590 8.902 192 2HE2 GLN 25 1HE2 GLN 25 7.669 -3.569 10.074 193 H ALA 26 H ALA 26 8.096 -2.313 4.947 194 HA ALA 26 HA ALA 26 10.731 -2.149 4.005 195 1HB ALA 26 1HB ALA 26 8.888 -3.938 3.759 196 2HB ALA 26 2HB ALA 26 8.445 -3.086 2.276 197 3HB ALA 26 3HB ALA 26 10.054 -3.788 2.440 198 H ALA 27 H ALA 27 7.881 -0.783 2.226 199 HA ALA 27 HA ALA 27 9.148 0.314 -0.017 200 1HB ALA 27 1HB ALA 27 6.979 1.377 1.787 201 2HB ALA 27 2HB ALA 27 7.340 2.065 0.205 202 3HB ALA 27 3HB ALA 27 6.765 0.401 0.335 203 H VAL 28 H VAL 28 8.849 1.793 3.196 204 HA VAL 28 HA VAL 28 10.404 4.147 2.495 205 HB VAL 28 HB VAL 28 8.737 3.099 4.572 206 1HG1 VAL 28 1HG1 VAL 28 10.965 2.639 5.713 207 2HG1 VAL 28 2HG1 VAL 28 11.240 4.382 5.698 208 3HG1 VAL 28 3HG1 VAL 28 9.875 3.712 6.592 209 1HG2 VAL 28 1HG2 VAL 28 9.550 5.606 3.412 210 2HG2 VAL 28 2HG2 VAL 28 8.065 5.216 4.280 211 3HG2 VAL 28 3HG2 VAL 28 9.489 5.757 5.168 212 H SER 29 H SER 29 11.313 0.990 2.811 213 HA SER 29 HA SER 29 13.923 1.519 4.143 214 1HB SER 29 1HB SER 29 13.395 -0.514 4.979 215 2HB SER 29 2HB SER 29 11.963 -0.523 3.958 216 HG SER 29 HG SER 29 14.490 -1.643 3.533 217 H ASN 30 H ASN 30 12.406 0.616 1.105 218 HA ASN 30 HA ASN 30 15.005 0.153 -0.213 219 1HB ASN 30 1HB ASN 30 12.087 -0.097 -1.004 220 2HB ASN 30 2HB ASN 30 13.429 -0.542 -2.042 221 1HD2 ASN 30 2HD2 ASN 30 12.215 -1.199 1.261 222 2HD2 ASN 30 1HD2 ASN 30 12.683 -2.829 1.283 223 H GLY 31 H GLY 31 12.998 2.667 0.617 224 1HA GLY 31 1HA GLY 31 13.290 4.956 -0.057 225 2HA GLY 31 2HA GLY 31 14.170 4.405 -1.483 226 H ILE 32 H ILE 32 11.187 2.824 -0.814 227 HA ILE 32 HA ILE 32 10.008 3.697 -3.310 228 HB ILE 32 HB ILE 32 9.190 2.049 -0.932 229 1HG1 ILE 32 1HG1 ILE 32 9.929 1.508 -3.816 230 2HG1 ILE 32 2HG1 ILE 32 10.805 1.011 -2.368 231 1HG2 ILE 32 1HG2 ILE 32 7.326 3.350 -2.507 232 2HG2 ILE 32 2HG2 ILE 32 7.504 1.798 -3.330 233 3HG2 ILE 32 3HG2 ILE 32 7.041 1.847 -1.626 234 1HD1 ILE 32 1HD1 ILE 32 8.812 -0.347 -1.712 235 2HD1 ILE 32 2HD1 ILE 32 8.082 0.043 -3.262 236 3HD1 ILE 32 3HD1 ILE 32 9.571 -0.895 -3.200 237 H TYR 33 H TYR 33 8.998 4.113 0.032 238 HA TYR 33 HA TYR 33 7.165 6.280 -0.655 239 1HB TYR 33 1HB TYR 33 8.083 4.975 1.911 240 2HB TYR 33 2HB TYR 33 6.863 6.251 1.845 241 HD1 TYR 33 HD1 TYR 33 5.922 5.260 -1.035 242 HD2 TYR 33 HD2 TYR 33 6.411 3.366 2.789 243 HE1 TYR 33 HE1 TYR 33 4.214 3.620 -1.643 244 HE2 TYR 33 HE2 TYR 33 4.705 1.692 2.161 245 HH TYR 33 HH TYR 33 3.278 1.631 -1.080 246 H ASP 34 H ASP 34 9.488 7.164 -1.548 247 HA ASP 34 HA ASP 34 11.138 8.580 0.371 248 1HB ASP 34 1HB ASP 34 12.058 9.590 -1.719 249 2HB ASP 34 2HB ASP 34 11.930 7.835 -1.829 250 H ILE 35 H ILE 35 8.479 9.259 0.953 251 HA ILE 35 HA ILE 35 7.852 11.855 -0.286 252 HB ILE 35 HB ILE 35 6.370 9.811 0.652 253 1HG1 ILE 35 1HG1 ILE 35 4.464 11.324 0.676 254 2HG1 ILE 35 2HG1 ILE 35 5.523 12.710 0.929 255 1HG2 ILE 35 1HG2 ILE 35 7.331 10.504 3.014 256 2HG2 ILE 35 2HG2 ILE 35 6.056 11.721 2.939 257 3HG2 ILE 35 3HG2 ILE 35 5.646 10.008 2.848 258 1HD1 ILE 35 1HD1 ILE 35 6.456 11.241 -1.355 259 2HD1 ILE 35 2HD1 ILE 35 4.731 11.558 -1.545 260 3HD1 ILE 35 3HD1 ILE 35 5.850 12.896 -1.287 261 H VAL 36 H VAL 36 6.990 13.405 1.793 262 HA VAL 36 HA VAL 36 9.496 14.269 3.032 263 HB VAL 36 HB VAL 36 6.607 15.185 3.174 264 1HG1 VAL 36 1HG1 VAL 36 8.834 15.846 4.867 265 2HG1 VAL 36 2HG1 VAL 36 8.427 17.253 3.885 266 3HG1 VAL 36 3HG1 VAL 36 7.197 16.501 4.901 267 1HG2 VAL 36 1HG2 VAL 36 8.829 15.588 1.327 268 2HG2 VAL 36 2HG2 VAL 36 7.129 16.023 1.141 269 3HG2 VAL 36 3HG2 VAL 36 8.233 17.118 1.973 270 H GLY 37 H GLY 37 6.516 14.356 4.874 271 1HA GLY 37 1HA GLY 37 7.777 12.520 6.876 272 2HA GLY 37 2HA GLY 37 6.835 13.940 7.336 273 H ASP 38 H ASP 38 6.262 11.209 8.119 274 HA ASP 38 HA ASP 38 3.653 10.785 6.693 275 1HB ASP 38 1HB ASP 38 5.894 9.061 7.440 276 2HB ASP 38 2HB ASP 38 4.354 8.438 8.033 277 H CYS 39 H CYS 39 2.265 9.274 8.380 278 HA CYS 39 HA CYS 39 2.022 10.957 10.827 279 1HB CYS 39 1HB CYS 39 -0.241 10.067 10.877 280 2HB CYS 39 2HB CYS 39 0.116 10.584 9.231 281 H GLY 40 H GLY 40 3.702 8.281 10.059 282 1HA GLY 40 1HA GLY 40 4.466 6.412 11.257 283 2HA GLY 40 2HA GLY 40 4.140 7.383 12.692 284 H GLY 41 H GLY 41 1.702 6.368 10.344 285 1HA GLY 41 1HA GLY 41 -0.046 4.791 10.556 286 2HA GLY 41 2HA GLY 41 0.752 4.161 11.999 287 H SER 42 H SER 42 0.252 7.566 11.915 288 HA SER 42 HA SER 42 -1.641 7.362 14.168 289 1HB SER 42 1HB SER 42 0.361 8.913 14.003 290 2HB SER 42 2HB SER 42 -0.512 9.795 12.754 291 HG SER 42 HG SER 42 -0.860 10.707 14.808 292 H ALA 43 H ALA 43 -2.194 6.951 11.046 293 HA ALA 43 HA ALA 43 -3.946 7.504 9.540 294 1HB ALA 43 1HB ALA 43 -4.826 6.734 12.149 295 2HB ALA 43 2HB ALA 43 -5.946 7.954 11.542 296 3HB ALA 43 3HB ALA 43 -5.653 6.484 10.611 297 H SER 44 H SER 44 -2.461 9.759 9.768 298 HA SER 44 HA SER 44 -4.525 11.910 10.018 299 1HB SER 44 1HB SER 44 -3.016 13.226 11.326 300 2HB SER 44 2HB SER 44 -2.963 11.612 12.032 301 HG SER 44 HG SER 44 -0.868 12.339 11.719 302 H CYS 45 H CYS 45 -2.706 10.355 7.881 303 HA CYS 45 HA CYS 45 -2.107 12.846 6.340 304 1HB CYS 45 1HB CYS 45 0.102 12.250 6.082 305 2HB CYS 45 2HB CYS 45 -0.192 11.419 7.604 306 H ALA 46 H ALA 46 -1.515 12.044 3.941 307 HA ALA 46 HA ALA 46 -3.192 9.718 3.151 308 1HB ALA 46 1HB ALA 46 -4.512 11.914 3.298 309 2HB ALA 46 2HB ALA 46 -3.547 12.459 1.929 310 3HB ALA 46 3HB ALA 46 -4.601 11.057 1.759 311 H THR 47 H THR 47 -0.278 11.124 2.945 312 HA THR 47 HA THR 47 0.229 11.207 0.089 313 HB THR 47 HB THR 47 2.626 10.711 1.465 314 HG1 THR 47 HG1 THR 47 1.191 12.511 3.043 315 1HG2 THR 47 1HG2 THR 47 1.144 13.033 0.382 316 2HG2 THR 47 2HG2 THR 47 2.408 13.420 1.550 317 3HG2 THR 47 3HG2 THR 47 2.805 12.518 0.088 318 H CYS 48 H CYS 48 -0.093 8.703 2.409 319 HA CYS 48 HA CYS 48 1.509 6.718 0.920 320 1HB CYS 48 1HB CYS 48 0.718 5.261 2.789 321 2HB CYS 48 2HB CYS 48 1.450 6.757 3.376 322 H HIS 49 H HIS 49 -0.896 8.009 -0.336 323 HA HIS 49 HA HIS 49 -3.093 6.131 -0.387 324 1HB HIS 49 1HB HIS 49 -3.375 8.469 -0.955 325 2HB HIS 49 2HB HIS 49 -2.121 8.369 -2.190 326 HD1 HIS 49 HD1 HIS 49 -4.818 5.795 -1.748 327 HD2 HIS 49 HD2 HIS 49 -3.808 8.790 -4.410 328 HE1 HIS 49 HE1 HIS 49 -6.321 5.499 -3.708 329 H VAL 50 H VAL 50 -3.189 4.191 -1.429 330 HA VAL 50 HA VAL 50 -1.767 3.847 -3.983 331 HB VAL 50 HB VAL 50 -0.080 2.509 -3.236 332 1HG1 VAL 50 1HG1 VAL 50 0.105 4.411 -1.671 333 2HG1 VAL 50 2HG1 VAL 50 -0.940 3.566 -0.530 334 3HG1 VAL 50 3HG1 VAL 50 0.649 2.910 -0.921 335 1HG2 VAL 50 1HG2 VAL 50 -2.240 1.360 -1.479 336 2HG2 VAL 50 2HG2 VAL 50 -1.326 0.575 -2.784 337 3HG2 VAL 50 3HG2 VAL 50 -0.542 0.905 -1.224 338 H TYR 51 H TYR 51 -2.015 1.278 -4.457 339 HA TYR 51 HA TYR 51 -4.720 0.385 -3.620 340 1HB TYR 51 1HB TYR 51 -3.538 0.900 -6.315 341 2HB TYR 51 2HB TYR 51 -4.970 -0.080 -6.095 342 HD1 TYR 51 HD1 TYR 51 -7.017 0.884 -5.081 343 HD2 TYR 51 HD2 TYR 51 -3.586 3.299 -5.979 344 HE1 TYR 51 HE1 TYR 51 -8.371 2.910 -4.888 345 HE2 TYR 51 HE2 TYR 51 -4.978 5.331 -5.832 346 HH TYR 51 HH TYR 51 -7.889 5.487 -4.404 347 H VAL 52 H VAL 52 -4.095 -1.546 -2.645 348 HA VAL 52 HA VAL 52 -1.865 -3.126 -3.559 349 HB VAL 52 HB VAL 52 -4.152 -4.115 -1.862 350 1HG1 VAL 52 1HG1 VAL 52 -1.980 -5.398 -2.480 351 2HG1 VAL 52 2HG1 VAL 52 -1.241 -4.380 -1.242 352 3HG1 VAL 52 3HG1 VAL 52 -2.583 -5.452 -0.819 353 1HG2 VAL 52 1HG2 VAL 52 -2.633 -1.702 -1.371 354 2HG2 VAL 52 2HG2 VAL 52 -4.001 -2.378 -0.491 355 3HG2 VAL 52 3HG2 VAL 52 -2.361 -2.896 -0.097 356 H ASN 53 H ASN 53 -1.894 -4.802 -5.051 357 HA ASN 53 HA ASN 53 -3.983 -5.226 -6.870 358 1HB ASN 53 1HB ASN 53 -1.908 -6.160 -7.377 359 2HB ASN 53 2HB ASN 53 -1.729 -6.890 -5.782 360 1HD2 ASN 53 1HD2 ASN 53 -1.282 -8.964 -6.970 361 2HD2 ASN 53 2HD2 ASN 53 -2.582 -9.869 -7.578 362 H GLU 54 H GLU 54 -5.783 -6.668 -6.890 363 HA GLU 54 HA GLU 54 -7.200 -7.067 -4.477 364 1HB GLU 54 1HB GLU 54 -8.515 -8.686 -5.997 365 2HB GLU 54 2HB GLU 54 -8.365 -7.015 -6.539 366 1HG GLU 54 1HG GLU 54 -6.852 -7.544 -8.212 367 2HG GLU 54 2HG GLU 54 -6.267 -8.980 -7.372 368 H ALA 55 H ALA 55 -4.492 -8.874 -5.555 369 HA ALA 55 HA ALA 55 -5.420 -11.355 -4.205 370 1HB ALA 55 1HB ALA 55 -3.761 -10.706 -6.402 371 2HB ALA 55 2HB ALA 55 -2.682 -11.378 -5.176 372 3HB ALA 55 3HB ALA 55 -4.064 -12.315 -5.746 373 H PHE 56 H PHE 56 -4.224 -8.566 -3.085 374 HA PHE 56 HA PHE 56 -2.788 -9.946 -0.861 375 1HB PHE 56 1HB PHE 56 -1.844 -7.577 -2.495 376 2HB PHE 56 2HB PHE 56 -1.083 -8.092 -0.982 377 HD1 PHE 56 HD1 PHE 56 -1.920 -9.099 -4.433 378 HD2 PHE 56 HD2 PHE 56 0.321 -10.050 -0.885 379 HE1 PHE 56 HE1 PHE 56 -0.726 -10.879 -5.668 380 HE2 PHE 56 HE2 PHE 56 1.436 -11.883 -2.081 381 HZ PHE 56 HZ PHE 56 0.951 -12.270 -4.508 382 H THR 57 H THR 57 -5.276 -8.033 -1.754 383 HA THR 57 HA THR 57 -5.076 -6.119 0.505 384 HB THR 57 HB THR 57 -6.905 -5.047 -0.559 385 HG1 THR 57 HG1 THR 57 -8.413 -6.117 -1.718 386 1HG2 THR 57 1HG2 THR 57 -4.776 -5.923 -2.179 387 2HG2 THR 57 2HG2 THR 57 -6.232 -6.155 -3.146 388 3HG2 THR 57 3HG2 THR 57 -5.854 -4.564 -2.486 389 H ASP 58 H ASP 58 -6.975 -8.885 -0.636 390 HA ASP 58 HA ASP 58 -8.506 -9.023 1.876 391 1HB ASP 58 1HB ASP 58 -10.046 -9.691 0.341 392 2HB ASP 58 2HB ASP 58 -8.808 -9.677 -0.911 393 H LYS 59 H LYS 59 -5.582 -10.080 0.858 394 HA LYS 59 HA LYS 59 -5.653 -12.749 2.181 395 1HB LYS 59 1HB LYS 59 -3.322 -11.352 0.924 396 2HB LYS 59 2HB LYS 59 -3.679 -13.083 0.969 397 1HG LYS 59 1HG LYS 59 -5.865 -11.987 -0.382 398 2HG LYS 59 2HG LYS 59 -4.487 -11.080 -1.016 399 1HD LYS 59 1HD LYS 59 -4.896 -13.130 -2.340 400 2HD LYS 59 2HD LYS 59 -3.336 -13.216 -1.522 401 1HE LYS 59 1HE LYS 59 -4.119 -15.276 -0.853 402 2HE LYS 59 2HE LYS 59 -4.965 -14.320 0.381 403 1HZ LYS 59 1HZ LYS 59 -6.095 -14.720 -2.324 404 2HZ LYS 59 2HZ LYS 59 -6.388 -15.827 -1.074 405 3HZ LYS 59 3HZ LYS 59 -6.891 -14.213 -0.912 406 H VAL 60 H VAL 60 -3.980 -9.709 2.096 407 HA VAL 60 HA VAL 60 -2.463 -10.066 4.530 408 HB VAL 60 HB VAL 60 -2.697 -8.497 2.175 409 1HG1 VAL 60 1HG1 VAL 60 -3.375 -6.871 4.374 410 2HG1 VAL 60 2HG1 VAL 60 -1.758 -6.434 3.842 411 3HG1 VAL 60 3HG1 VAL 60 -3.107 -6.399 2.699 412 1HG2 VAL 60 1HG2 VAL 60 -0.712 -9.306 4.090 413 2HG2 VAL 60 2HG2 VAL 60 -0.673 -9.281 2.322 414 3HG2 VAL 60 3HG2 VAL 60 -0.336 -7.803 3.242 415 HA PRO 61 HA PRO 61 -5.287 -8.515 7.459 416 1HB PRO 61 1HB PRO 61 -4.432 -6.087 8.435 417 2HB PRO 61 2HB PRO 61 -3.741 -7.657 8.896 418 1HG PRO 61 1HG PRO 61 -2.751 -5.659 6.928 419 2HG PRO 61 2HG PRO 61 -1.855 -6.650 8.088 420 1HD PRO 61 1HD PRO 61 -1.974 -7.259 5.477 421 2HD PRO 61 2HD PRO 61 -1.869 -8.505 6.686 422 H ALA 62 H ALA 62 -7.205 -7.977 7.040 423 HA ALA 62 HA ALA 62 -8.082 -6.204 4.962 424 1HB ALA 62 1HB ALA 62 -9.004 -8.335 6.586 425 2HB ALA 62 2HB ALA 62 -10.133 -6.993 6.792 426 3HB ALA 62 3HB ALA 62 -9.801 -7.628 5.180 427 H ALA 63 H ALA 63 -6.763 -4.435 6.320 428 HA ALA 63 HA ALA 63 -7.499 -3.146 8.628 429 1HB ALA 63 1HB ALA 63 -7.045 -1.946 5.875 430 2HB ALA 63 2HB ALA 63 -6.982 -1.022 7.376 431 3HB ALA 63 3HB ALA 63 -5.811 -2.306 7.083 432 H ASN 64 H ASN 64 -9.100 -1.447 9.148 433 HA ASN 64 HA ASN 64 -11.630 -1.754 7.561 434 1HB ASN 64 1HB ASN 64 -12.680 -1.306 9.831 435 2HB ASN 64 2HB ASN 64 -11.747 -2.790 9.730 436 1HD2 ASN 64 2HD2 ASN 64 -11.665 -2.371 12.219 437 2HD2 ASN 64 1HD2 ASN 64 -10.388 -1.405 12.784 438 H GLU 65 H GLU 65 -12.983 0.279 9.065 439 HA GLU 65 HA GLU 65 -13.009 2.547 7.643 440 1HB GLU 65 1HB GLU 65 -13.501 3.738 9.807 441 2HB GLU 65 2HB GLU 65 -14.357 2.207 9.624 442 1HG GLU 65 1HG GLU 65 -12.146 1.281 10.822 443 2HG GLU 65 2HG GLU 65 -12.126 2.923 11.468 444 H ARG 66 H ARG 66 -10.349 1.760 9.881 445 HA ARG 66 HA ARG 66 -9.037 4.262 9.980 446 1HB ARG 66 1HB ARG 66 -8.503 1.491 10.491 447 2HB ARG 66 2HB ARG 66 -7.132 2.151 9.599 448 1HG ARG 66 1HG ARG 66 -6.993 4.021 11.220 449 2HG ARG 66 2HG ARG 66 -8.331 3.317 12.128 450 1HD ARG 66 1HD ARG 66 -6.014 1.526 11.537 451 2HD ARG 66 2HD ARG 66 -5.787 2.777 12.776 452 HE ARG 66 HE ARG 66 -8.124 0.906 12.852 453 1HH1 ARG 66 1HH1 ARG 66 -6.912 3.399 14.587 454 2HH1 ARG 66 2HH1 ARG 66 -6.633 2.528 16.058 455 1HH2 ARG 66 1HH2 ARG 66 -7.153 -0.585 14.622 456 2HH2 ARG 66 2HH2 ARG 66 -6.769 0.272 16.078 457 H GLU 67 H GLU 67 -7.995 1.635 7.795 458 HA GLU 67 HA GLU 67 -6.690 3.340 5.930 459 1HB GLU 67 1HB GLU 67 -6.036 1.250 5.352 460 2HB GLU 67 2HB GLU 67 -7.302 0.565 6.362 461 1HG GLU 67 1HG GLU 67 -7.542 -0.236 4.063 462 2HG GLU 67 2HG GLU 67 -8.905 0.802 4.473 463 H ILE 68 H ILE 68 -9.948 1.846 5.788 464 HA ILE 68 HA ILE 68 -10.822 2.922 3.353 465 HB ILE 68 HB ILE 68 -12.041 2.048 5.935 466 1HG1 ILE 68 1HG1 ILE 68 -13.308 0.654 4.128 467 2HG1 ILE 68 2HG1 ILE 68 -12.067 1.266 3.027 468 1HG2 ILE 68 1HG2 ILE 68 -13.393 4.036 5.327 469 2HG2 ILE 68 2HG2 ILE 68 -13.639 3.364 3.715 470 3HG2 ILE 68 3HG2 ILE 68 -14.311 2.543 5.124 471 1HD1 ILE 68 1HD1 ILE 68 -10.985 0.270 5.572 472 2HD1 ILE 68 2HD1 ILE 68 -11.808 -0.971 4.627 473 3HD1 ILE 68 3HD1 ILE 68 -10.468 -0.069 3.919 474 H GLY 69 H GLY 69 -10.139 4.609 6.319 475 1HA GLY 69 1HA GLY 69 -11.736 6.966 5.528 476 2HA GLY 69 2HA GLY 69 -10.757 6.830 6.988 477 H MET 70 H MET 70 -8.332 6.812 6.631 478 HA MET 70 HA MET 70 -7.357 9.046 5.279 479 1HB MET 70 1HB MET 70 -5.181 7.664 5.249 480 2HB MET 70 2HB MET 70 -5.969 7.844 6.810 481 1HG MET 70 1HG MET 70 -7.185 5.573 5.832 482 2HG MET 70 2HG MET 70 -5.550 5.413 5.203 483 1HE MET 70 1HE MET 70 -4.797 3.745 6.035 484 2HE MET 70 2HE MET 70 -3.813 3.755 7.511 485 3HE MET 70 3HE MET 70 -5.413 2.994 7.509 486 H LEU 71 H LEU 71 -7.903 5.783 4.011 487 HA LEU 71 HA LEU 71 -6.872 6.193 1.332 488 1HB LEU 71 1HB LEU 71 -7.364 4.031 2.512 489 2HB LEU 71 2HB LEU 71 -9.064 4.436 2.428 490 HG LEU 71 HG LEU 71 -7.749 2.942 0.582 491 1HD1 LEU 71 1HD1 LEU 71 -10.271 4.559 0.604 492 2HD1 LEU 71 2HD1 LEU 71 -9.817 3.688 -0.861 493 3HD1 LEU 71 3HD1 LEU 71 -10.076 2.804 0.649 494 1HD2 LEU 71 1HD2 LEU 71 -6.537 4.899 -0.287 495 2HD2 LEU 71 2HD2 LEU 71 -7.677 4.274 -1.495 496 3HD2 LEU 71 3HD2 LEU 71 -8.072 5.710 -0.541 497 H GLU 72 H GLU 72 -10.176 6.266 2.715 498 HA GLU 72 HA GLU 72 -11.564 7.173 0.416 499 1HB GLU 72 1HB GLU 72 -12.872 6.489 2.240 500 2HB GLU 72 2HB GLU 72 -11.861 7.340 3.406 501 1HG GLU 72 1HG GLU 72 -13.957 8.521 3.248 502 2HG GLU 72 2HG GLU 72 -12.724 9.507 2.465 503 H CYS 73 H CYS 73 -9.296 8.754 2.502 504 HA CYS 73 HA CYS 73 -10.084 11.505 1.973 505 1HB CYS 73 1HB CYS 73 -8.282 10.003 3.607 506 2HB CYS 73 2HB CYS 73 -7.341 11.220 2.746 507 HG CYS 73 HG CYS 73 -9.907 12.084 4.300 508 H VAL 74 H VAL 74 -7.448 9.391 0.751 509 HA VAL 74 HA VAL 74 -6.014 11.028 -0.939 510 HB VAL 74 HB VAL 74 -5.671 9.059 -2.297 511 1HG1 VAL 74 1HG1 VAL 74 -5.071 9.088 0.254 512 2HG1 VAL 74 2HG1 VAL 74 -6.377 7.911 0.393 513 3HG1 VAL 74 3HG1 VAL 74 -4.983 7.564 -0.627 514 1HG2 VAL 74 1HG2 VAL 74 -8.451 8.705 -1.599 515 2HG2 VAL 74 2HG2 VAL 74 -7.535 7.969 -2.917 516 3HG2 VAL 74 3HG2 VAL 74 -7.530 7.218 -1.321 517 H THR 75 H THR 75 -6.286 11.461 -3.324 518 HA THR 75 HA THR 75 -9.160 11.856 -4.055 519 HB THR 75 HB THR 75 -6.645 13.468 -4.578 520 HG1 THR 75 HG1 THR 75 -8.001 13.488 -2.516 521 1HG2 THR 75 1HG2 THR 75 -9.270 13.430 -5.899 522 2HG2 THR 75 2HG2 THR 75 -8.725 15.028 -5.391 523 3HG2 THR 75 3HG2 THR 75 -7.725 14.057 -6.470 524 H ALA 76 H ALA 76 -7.547 9.448 -4.678 525 HA ALA 76 HA ALA 76 -7.247 9.890 -7.630 526 1HB ALA 76 1HB ALA 76 -5.432 9.068 -5.634 527 2HB ALA 76 2HB ALA 76 -5.765 7.638 -6.612 528 3HB ALA 76 3HB ALA 76 -5.159 9.113 -7.376 529 H GLU 77 H GLU 77 -6.911 7.440 -8.468 530 HA GLU 77 HA GLU 77 -9.369 6.356 -9.066 531 1HB GLU 77 1HB GLU 77 -7.844 5.533 -10.458 532 2HB GLU 77 2HB GLU 77 -6.565 5.907 -9.326 533 1HG GLU 77 1HG GLU 77 -6.758 3.735 -8.293 534 2HG GLU 77 2HG GLU 77 -8.247 3.396 -9.181 535 H LEU 78 H LEU 78 -10.118 6.453 -6.503 536 HA LEU 78 HA LEU 78 -9.181 4.356 -4.843 537 1HB LEU 78 1HB LEU 78 -10.839 6.377 -4.345 538 2HB LEU 78 2HB LEU 78 -12.019 5.055 -4.484 539 HG LEU 78 HG LEU 78 -9.897 3.901 -3.186 540 1HD1 LEU 78 1HD1 LEU 78 -9.925 6.731 -2.514 541 2HD1 LEU 78 2HD1 LEU 78 -9.831 5.601 -1.158 542 3HD1 LEU 78 3HD1 LEU 78 -8.630 5.528 -2.450 543 1HD2 LEU 78 1HD2 LEU 78 -12.593 4.295 -2.698 544 2HD2 LEU 78 2HD2 LEU 78 -11.477 3.198 -1.868 545 3HD2 LEU 78 3HD2 LEU 78 -11.757 4.834 -1.234 546 H LYS 79 H LYS 79 -9.997 2.480 -4.205 547 HA LYS 79 HA LYS 79 -11.400 0.903 -6.314 548 1HB LYS 79 1HB LYS 79 -8.879 0.789 -4.699 549 2HB LYS 79 2HB LYS 79 -9.516 -0.696 -5.425 550 1HG LYS 79 1HG LYS 79 -9.127 1.792 -7.076 551 2HG LYS 79 2HG LYS 79 -7.777 0.716 -6.760 552 1HD LYS 79 1HD LYS 79 -8.454 -0.567 -8.418 553 2HD LYS 79 2HD LYS 79 -9.883 -0.956 -7.469 554 1HE LYS 79 1HE LYS 79 -11.166 0.129 -8.993 555 2HE LYS 79 2HE LYS 79 -10.289 1.630 -8.630 556 1HZ LYS 79 1HZ LYS 79 -8.457 0.689 -10.065 557 2HZ LYS 79 2HZ LYS 79 -9.581 -0.464 -10.605 558 3HZ LYS 79 3HZ LYS 79 -9.858 1.185 -10.888 559 HA PRO 80 HA PRO 80 -13.425 -1.161 -2.914 560 1HB PRO 80 1HB PRO 80 -13.225 -3.794 -3.631 561 2HB PRO 80 2HB PRO 80 -14.329 -2.669 -4.448 562 1HG PRO 80 1HG PRO 80 -11.686 -3.704 -5.317 563 2HG PRO 80 2HG PRO 80 -13.124 -3.328 -6.277 564 1HD PRO 80 1HD PRO 80 -10.915 -1.709 -6.101 565 2HD PRO 80 2HD PRO 80 -12.545 -1.136 -6.511 566 H ASN 81 H ASN 81 -10.271 -2.156 -3.982 567 HA ASN 81 HA ASN 81 -9.572 -3.253 -1.291 568 1HB ASN 81 1HB ASN 81 -7.674 -4.252 -2.608 569 2HB ASN 81 2HB ASN 81 -9.262 -4.758 -3.180 570 1HD2 ASN 81 2HD2 ASN 81 -6.413 -4.060 -4.491 571 2HD2 ASN 81 1HD2 ASN 81 -6.876 -3.190 -5.873 572 H SER 82 H SER 82 -9.612 -0.315 -2.471 573 HA SER 82 HA SER 82 -7.104 0.874 -2.762 574 1HB SER 82 1HB SER 82 -9.703 1.560 -1.531 575 2HB SER 82 2HB SER 82 -8.331 2.598 -1.168 576 HG SER 82 HG SER 82 -8.257 3.236 -3.109 577 H ARG 83 H ARG 83 -5.463 1.575 -1.266 578 HA ARG 83 HA ARG 83 -5.835 0.935 1.610 579 1HB ARG 83 1HB ARG 83 -4.134 -0.612 -0.300 580 2HB ARG 83 2HB ARG 83 -3.578 -0.424 1.357 581 1HG ARG 83 1HG ARG 83 -6.225 -1.629 0.499 582 2HG ARG 83 2HG ARG 83 -4.828 -2.516 1.101 583 1HD ARG 83 1HD ARG 83 -5.102 -1.738 3.291 584 2HD ARG 83 2HD ARG 83 -6.107 -0.366 2.793 585 HE ARG 83 HE ARG 83 -7.893 -1.929 2.251 586 1HH1 ARG 83 1HH1 ARG 83 -5.628 -4.125 1.968 587 2HH1 ARG 83 2HH1 ARG 83 -6.159 -5.215 3.205 588 1HH2 ARG 83 1HH2 ARG 83 -8.359 -2.947 4.625 589 2HH2 ARG 83 2HH2 ARG 83 -7.696 -4.540 4.701 590 H LEU 84 H LEU 84 -4.072 1.641 2.924 591 HA LEU 84 HA LEU 84 -2.277 3.640 1.609 592 1HB LEU 84 1HB LEU 84 -3.497 3.479 4.393 593 2HB LEU 84 2HB LEU 84 -2.279 4.664 3.935 594 HG LEU 84 HG LEU 84 -5.164 4.540 3.220 595 1HD1 LEU 84 1HD1 LEU 84 -3.812 6.236 4.695 596 2HD1 LEU 84 2HD1 LEU 84 -3.369 6.946 3.142 597 3HD1 LEU 84 3HD1 LEU 84 -5.065 6.836 3.609 598 1HD2 LEU 84 1HD2 LEU 84 -3.000 5.293 1.251 599 2HD2 LEU 84 2HD2 LEU 84 -4.413 4.273 0.983 600 3HD2 LEU 84 3HD2 LEU 84 -4.607 6.015 1.171 601 H CYS 85 H CYS 85 -0.306 2.724 1.438 602 HA CYS 85 HA CYS 85 0.741 0.393 2.181 603 1HB CYS 85 1HB CYS 85 2.873 1.405 1.989 604 2HB CYS 85 2HB CYS 85 1.791 2.433 1.057 605 HG CYS 85 HG CYS 85 3.206 3.971 2.652 606 H CYS 86 H CYS 86 0.186 2.964 4.580 607 HA CYS 86 HA CYS 86 1.672 1.604 6.695 608 1HB CYS 86 1HB CYS 86 0.623 3.358 8.090 609 2HB CYS 86 2HB CYS 86 1.305 4.035 6.613 610 H GLN 87 H GLN 87 -1.120 0.638 5.204 611 HA GLN 87 HA GLN 87 -2.208 -0.490 7.766 612 1HB GLN 87 1HB GLN 87 -3.405 1.345 6.163 613 2HB GLN 87 2HB GLN 87 -3.998 -0.146 5.427 614 1HG GLN 87 1HG GLN 87 -5.600 0.267 7.088 615 2HG GLN 87 2HG GLN 87 -4.508 -0.865 7.885 616 1HE2 GLN 87 2HE2 GLN 87 -2.487 1.582 7.911 617 2HE2 GLN 87 1HE2 GLN 87 -2.983 2.444 9.284 618 H ILE 88 H ILE 88 -0.436 -1.464 5.247 619 HA ILE 88 HA ILE 88 -1.989 -4.009 4.897 620 HB ILE 88 HB ILE 88 -0.207 -2.412 3.045 621 1HG1 ILE 88 1HG1 ILE 88 -2.618 -1.802 3.271 622 2HG1 ILE 88 2HG1 ILE 88 -2.208 -2.374 1.655 623 1HG2 ILE 88 1HG2 ILE 88 0.308 -4.874 2.929 624 2HG2 ILE 88 2HG2 ILE 88 -1.383 -5.155 2.520 625 3HG2 ILE 88 3HG2 ILE 88 -0.360 -4.213 1.437 626 1HD1 ILE 88 1HD1 ILE 88 -2.942 -4.597 3.362 627 2HD1 ILE 88 2HD1 ILE 88 -4.221 -3.385 3.340 628 3HD1 ILE 88 3HD1 ILE 88 -3.653 -4.094 1.828 629 H ILE 89 H ILE 89 -0.985 -5.466 6.305 630 HA ILE 89 HA ILE 89 1.945 -5.436 6.661 631 HB ILE 89 HB ILE 89 -0.202 -7.257 7.787 632 1HG1 ILE 89 1HG1 ILE 89 -0.884 -5.189 8.634 633 2HG1 ILE 89 2HG1 ILE 89 0.300 -5.661 9.849 634 1HG2 ILE 89 1HG2 ILE 89 2.644 -6.646 8.583 635 2HG2 ILE 89 2HG2 ILE 89 1.514 -7.542 9.596 636 3HG2 ILE 89 3HG2 ILE 89 2.003 -8.194 8.030 637 1HD1 ILE 89 1HD1 ILE 89 1.987 -4.423 8.227 638 2HD1 ILE 89 2HD1 ILE 89 0.522 -3.605 7.678 639 3HD1 ILE 89 3HD1 ILE 89 1.011 -3.499 9.371 640 H MET 90 H MET 90 3.241 -6.780 5.499 641 HA MET 90 HA MET 90 2.044 -8.550 3.517 642 1HB MET 90 1HB MET 90 4.060 -6.944 3.376 643 2HB MET 90 2HB MET 90 4.956 -8.222 4.186 644 1HG MET 90 1HG MET 90 4.089 -8.013 1.406 645 2HG MET 90 2HG MET 90 5.322 -9.032 2.113 646 1HE MET 90 1HE MET 90 2.545 -8.440 0.557 647 2HE MET 90 2HE MET 90 1.997 -10.005 -0.027 648 3HE MET 90 3HE MET 90 1.121 -9.198 1.286 649 H THR 91 H THR 91 1.668 -10.738 3.912 650 HA THR 91 HA THR 91 3.134 -11.910 6.257 651 HB THR 91 HB THR 91 1.295 -13.125 6.644 652 HG1 THR 91 HG1 THR 91 0.565 -14.542 5.187 653 1HG2 THR 91 1HG2 THR 91 0.414 -10.840 5.585 654 2HG2 THR 91 2HG2 THR 91 -0.245 -11.960 4.394 655 3HG2 THR 91 3HG2 THR 91 -0.685 -12.121 6.090 656 HA PRO 92 HA PRO 92 5.501 -14.510 3.757 657 1HB PRO 92 1HB PRO 92 5.293 -16.930 4.997 658 2HB PRO 92 2HB PRO 92 6.160 -15.572 5.714 659 1HG PRO 92 1HG PRO 92 3.561 -16.743 6.423 660 2HG PRO 92 2HG PRO 92 4.687 -15.801 7.411 661 1HD PRO 92 1HD PRO 92 2.301 -14.890 6.177 662 2HD PRO 92 2HD PRO 92 3.523 -13.910 7.027 663 H GLU 93 H GLU 93 2.165 -15.152 4.083 664 HA GLU 93 HA GLU 93 2.042 -17.341 2.116 665 1HB GLU 93 1HB GLU 93 -0.124 -17.489 2.907 666 2HB GLU 93 2HB GLU 93 0.600 -16.606 4.246 667 1HG GLU 93 1HG GLU 93 -0.148 -14.514 3.383 668 2HG GLU 93 2HG GLU 93 -0.706 -15.271 1.893 669 H LEU 94 H LEU 94 1.581 -13.925 2.388 670 HA LEU 94 HA LEU 94 0.650 -13.597 -0.379 671 1HB LEU 94 1HB LEU 94 1.152 -11.799 1.995 672 2HB LEU 94 2HB LEU 94 0.665 -11.162 0.443 673 HG LEU 94 HG LEU 94 -0.827 -13.399 1.768 674 1HD1 LEU 94 1HD1 LEU 94 -0.670 -11.003 2.950 675 2HD1 LEU 94 2HD1 LEU 94 -1.869 -10.604 1.725 676 3HD1 LEU 94 3HD1 LEU 94 -2.183 -11.900 2.879 677 1HD2 LEU 94 1HD2 LEU 94 -0.733 -12.541 -0.765 678 2HD2 LEU 94 2HD2 LEU 94 -2.213 -13.169 -0.024 679 3HD2 LEU 94 3HD2 LEU 94 -1.939 -11.430 -0.129 680 H ASP 95 H ASP 95 3.456 -14.571 0.139 681 HA ASP 95 HA ASP 95 5.260 -12.414 -0.378 682 1HB ASP 95 1HB ASP 95 6.805 -14.228 -0.980 683 2HB ASP 95 2HB ASP 95 5.838 -14.738 0.405 684 H GLY 96 H GLY 96 4.996 -11.090 -2.156 685 1HA GLY 96 1HA GLY 96 5.486 -11.121 -4.639 686 2HA GLY 96 2HA GLY 96 4.260 -12.383 -4.753 687 H ILE 97 H ILE 97 3.596 -9.902 -2.495 688 HA ILE 97 HA ILE 97 1.146 -9.118 -3.527 689 HB ILE 97 HB ILE 97 1.573 -8.604 -1.279 690 1HG1 ILE 97 1HG1 ILE 97 1.445 -6.242 -1.005 691 2HG1 ILE 97 2HG1 ILE 97 2.296 -5.949 -2.526 692 1HG2 ILE 97 1HG2 ILE 97 4.243 -8.170 -2.298 693 2HG2 ILE 97 2HG2 ILE 97 3.803 -6.942 -1.112 694 3HG2 ILE 97 3HG2 ILE 97 3.731 -8.665 -0.692 695 1HD1 ILE 97 1HD1 ILE 97 0.141 -7.601 -3.156 696 2HD1 ILE 97 2HD1 ILE 97 -0.508 -6.385 -2.069 697 3HD1 ILE 97 3HD1 ILE 97 0.310 -5.896 -3.553 698 H VAL 98 H VAL 98 0.448 -7.549 -4.885 699 HA VAL 98 HA VAL 98 2.528 -5.999 -6.376 700 HB VAL 98 HB VAL 98 -0.228 -6.683 -7.368 701 1HG1 VAL 98 1HG1 VAL 98 2.480 -6.392 -8.698 702 2HG1 VAL 98 2HG1 VAL 98 0.970 -6.732 -9.543 703 3HG1 VAL 98 3HG1 VAL 98 1.185 -5.194 -8.706 704 1HG2 VAL 98 1HG2 VAL 98 2.155 -8.563 -7.275 705 2HG2 VAL 98 2HG2 VAL 98 0.556 -8.851 -6.584 706 3HG2 VAL 98 3HG2 VAL 98 0.770 -8.808 -8.338 707 H VAL 99 H VAL 99 2.388 -3.861 -5.608 708 HA VAL 99 HA VAL 99 -0.274 -2.901 -4.636 709 HB VAL 99 HB VAL 99 2.095 -1.132 -4.445 710 1HG1 VAL 99 1HG1 VAL 99 -0.313 -1.987 -2.976 711 2HG1 VAL 99 2HG1 VAL 99 1.077 -1.616 -1.949 712 3HG1 VAL 99 3HG1 VAL 99 0.449 -0.396 -3.057 713 1HG2 VAL 99 1HG2 VAL 99 2.016 -3.789 -2.975 714 2HG2 VAL 99 2HG2 VAL 99 3.252 -3.273 -4.123 715 3HG2 VAL 99 3HG2 VAL 99 3.085 -2.441 -2.578 716 H ASP 100 H ASP 100 -1.073 -0.853 -5.377 717 HA ASP 100 HA ASP 100 -0.023 -0.075 -8.077 718 1HB ASP 100 1HB ASP 100 -2.584 -0.983 -7.109 719 2HB ASP 100 2HB ASP 100 -2.735 0.584 -7.898 720 H VAL 101 H VAL 101 0.752 1.938 -8.036 721 HA VAL 101 HA VAL 101 -0.124 3.772 -5.881 722 HB VAL 101 HB VAL 101 2.170 3.773 -7.855 723 1HG1 VAL 101 1HG1 VAL 101 1.276 6.048 -7.072 724 2HG1 VAL 101 2HG1 VAL 101 1.852 5.585 -5.473 725 3HG1 VAL 101 3HG1 VAL 101 2.989 5.728 -6.812 726 1HG2 VAL 101 1HG2 VAL 101 2.079 2.083 -5.920 727 2HG2 VAL 101 2HG2 VAL 101 3.519 3.098 -6.011 728 3HG2 VAL 101 3HG2 VAL 101 2.247 3.474 -4.849 729 HA PRO 102 HA PRO 102 -2.643 5.825 -8.945 730 1HB PRO 102 1HB PRO 102 -3.640 7.697 -7.229 731 2HB PRO 102 2HB PRO 102 -4.188 6.014 -7.245 732 1HG PRO 102 1HG PRO 102 -2.305 7.356 -5.387 733 2HG PRO 102 2HG PRO 102 -3.533 6.127 -5.062 734 1HD PRO 102 1HD PRO 102 -0.875 5.587 -5.267 735 2HD PRO 102 2HD PRO 102 -2.164 4.415 -5.600 736 H ASP 103 H ASP 103 -2.930 8.159 -9.655 737 HA ASP 103 HA ASP 103 -0.307 9.539 -9.714 738 1HB ASP 103 1HB ASP 103 -1.431 10.823 -11.515 739 2HB ASP 103 2HB ASP 103 -1.594 9.086 -11.779 740 H ARG 104 H ARG 104 -3.364 9.727 -8.124 741 HA ARG 104 HA ARG 104 -2.830 12.539 -7.243 742 1HB ARG 104 1HB ARG 104 -5.406 11.010 -6.848 743 2HB ARG 104 2HB ARG 104 -5.176 12.749 -6.977 744 1HG ARG 104 1HG ARG 104 -4.324 11.353 -9.402 745 2HG ARG 104 2HG ARG 104 -6.018 11.058 -9.016 746 1HD ARG 104 1HD ARG 104 -5.675 13.104 -10.439 747 2HD ARG 104 2HD ARG 104 -6.432 13.477 -8.876 748 HE ARG 104 HE ARG 104 -3.606 13.545 -8.548 749 1HH1 ARG 104 1HH1 ARG 104 -5.447 15.722 -7.634 750 2HH1 ARG 104 2HH1 ARG 104 -4.983 17.045 -8.652 751 1HH2 ARG 104 1HH2 ARG 104 -3.308 15.046 -10.937 752 2HH2 ARG 104 2HH2 ARG 104 -3.772 16.662 -10.521 753 H GLN 105 H GLN 105 -1.172 11.263 -5.875 754 HA GLN 105 HA GLN 105 -2.455 9.762 -3.684 755 1HB GLN 105 1HB GLN 105 0.074 9.379 -3.139 756 2HB GLN 105 2HB GLN 105 -0.616 8.599 -4.559 757 1HG GLN 105 1HG GLN 105 1.629 9.763 -4.906 758 2HG GLN 105 2HG GLN 105 0.352 10.211 -6.034 759 1HE2 GLN 105 2HE2 GLN 105 2.276 11.356 -3.290 760 2HE2 GLN 105 1HE2 GLN 105 1.800 12.981 -3.407 761 H TRP 106 H TRP 106 -3.217 12.251 -3.294 762 HA TRP 106 HA TRP 106 -1.351 13.999 -1.919 763 1HB TRP 106 1HB TRP 106 -3.212 15.399 -1.769 764 2HB TRP 106 2HB TRP 106 -3.690 14.375 -3.127 765 HD1 TRP 106 HD1 TRP 106 -5.944 13.131 -2.834 766 HE1 TRP 106 HE1 TRP 106 -7.507 12.636 -0.824 767 HE3 TRP 106 HE3 TRP 106 -3.082 15.002 0.887 768 HZ2 TRP 106 HZ2 TRP 106 -7.511 13.053 2.033 769 HZ3 TRP 106 HZ3 TRP 106 -3.853 14.975 3.232 770 HH2 TRP 106 HH2 TRP 106 -6.065 13.999 3.823
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