NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16659 | 2aj0 | 6811 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 -16.052 -8.869 -9.786 2 2H MET 1 H2 MET 1 -15.868 -10.428 -10.338 3 3H MET 1 H3 MET 1 -14.552 -9.529 -9.957 4 HA MET 1 HA MET 1 -14.597 -9.585 -12.232 5 1HB MET 1 2HB MET 1 -17.411 -8.422 -12.164 6 2HB MET 1 3HB MET 1 -16.409 -8.797 -13.571 7 1HG MET 1 2HG MET 1 -16.473 -11.260 -12.706 8 2HG MET 1 3HG MET 1 -17.835 -10.688 -11.716 9 1HE MET 1 1HE MET 1 -18.528 -13.027 -13.404 10 2HE MET 1 2HE MET 1 -19.822 -12.033 -12.681 11 3HE MET 1 3HE MET 1 -19.912 -12.499 -14.393 12 H ALA 2 H ALA 2 -13.227 -8.106 -10.673 13 HA ALA 2 HA ALA 2 -13.027 -5.489 -11.742 14 1HB ALA 2 1HB ALA 2 -13.646 -4.139 -9.748 15 2HB ALA 2 2HB ALA 2 -15.058 -4.916 -10.462 16 3HB ALA 2 3HB ALA 2 -14.339 -5.579 -8.979 17 H GLU 3 H GLU 3 -12.671 -7.305 -8.656 18 HA GLU 3 HA GLU 3 -10.899 -7.642 -7.285 19 1HB GLU 3 2HB GLU 3 -10.059 -8.436 -10.084 20 2HB GLU 3 3HB GLU 3 -9.146 -8.890 -8.642 21 1HG GLU 3 2HG GLU 3 -10.715 -10.672 -9.304 22 2HG GLU 3 3HG GLU 3 -11.057 -10.063 -7.684 23 H LYS 4 H LYS 4 -11.075 -5.101 -7.439 24 HA LYS 4 HA LYS 4 -8.344 -4.075 -7.193 25 1HB LYS 4 2HB LYS 4 -8.947 -1.981 -8.284 26 2HB LYS 4 3HB LYS 4 -9.196 -3.322 -9.411 27 1HG LYS 4 2HG LYS 4 -11.673 -3.266 -8.725 28 2HG LYS 4 3HG LYS 4 -11.307 -1.746 -7.886 29 1HD LYS 4 2HD LYS 4 -10.351 -0.886 -10.086 30 2HD LYS 4 3HD LYS 4 -10.959 -2.373 -10.848 31 1HE LYS 4 2HE LYS 4 -13.288 -1.759 -10.050 32 2HE LYS 4 3HE LYS 4 -12.633 -0.247 -9.402 33 1HZ LYS 4 1HZ LYS 4 -12.625 -1.054 -12.237 34 2HZ LYS 4 2HZ LYS 4 -13.607 0.071 -11.551 35 3HZ LYS 4 3HZ LYS 4 -11.990 0.347 -11.649 36 H THR 5 H THR 5 -8.219 -2.607 -5.359 37 HA THR 5 HA THR 5 -10.703 -1.867 -4.017 38 HB THR 5 HB THR 5 -8.671 -3.766 -2.699 39 HG1 THR 5 1HG THR 5 -11.004 -3.944 -3.990 40 1HG2 THR 5 1HG2 THR 5 -9.497 -2.170 -0.988 41 2HG2 THR 5 2HG2 THR 5 -11.164 -2.387 -1.564 42 3HG2 THR 5 3HG2 THR 5 -10.308 -3.725 -0.782 43 H VAL 6 H VAL 6 -10.255 -0.229 -2.455 44 HA VAL 6 HA VAL 6 -7.480 0.354 -2.200 45 HB VAL 6 HB VAL 6 -8.161 1.845 -3.911 46 1HG1 VAL 6 1HG1 VAL 6 -10.006 3.410 -3.846 47 2HG1 VAL 6 2HG1 VAL 6 -10.535 1.731 -3.855 48 3HG1 VAL 6 3HG1 VAL 6 -10.596 2.665 -2.335 49 1HG2 VAL 6 1HG2 VAL 6 -8.418 3.543 -1.393 50 2HG2 VAL 6 2HG2 VAL 6 -6.862 2.976 -2.027 51 3HG2 VAL 6 3HG2 VAL 6 -7.850 4.083 -2.992 52 H TYR 7 H TYR 7 -6.798 1.098 -0.289 53 HA TYR 7 HA TYR 7 -8.798 0.928 1.938 54 1HB TYR 7 2HB TYR 7 -5.867 0.139 2.013 55 2HB TYR 7 3HB TYR 7 -7.092 -0.076 3.257 56 HD1 TYR 7 HD1 TYR 7 -7.917 -2.227 3.541 57 HD2 TYR 7 HD2 TYR 7 -6.187 -1.170 -0.246 58 HE1 TYR 7 HE1 TYR 7 -8.422 -4.497 2.679 59 HE2 TYR 7 HE2 TYR 7 -6.644 -3.442 -1.090 60 HH TYR 7 HH TYR 7 -7.751 -5.462 -0.673 61 H ARG 8 H ARG 8 -8.271 2.384 3.754 62 HA ARG 8 HA ARG 8 -7.110 4.913 2.695 63 1HB ARG 8 2HB ARG 8 -9.318 4.250 4.385 64 2HB ARG 8 3HB ARG 8 -8.111 4.985 5.452 65 1HG ARG 8 2HG ARG 8 -7.953 6.917 3.855 66 2HG ARG 8 3HG ARG 8 -9.257 6.192 2.898 67 1HD ARG 8 2HD ARG 8 -9.449 7.110 5.819 68 2HD ARG 8 3HD ARG 8 -10.053 7.966 4.419 69 HE ARG 8 HE ARG 8 -11.810 6.508 4.117 70 1HH1 ARG 8 2HH2 ARG 8 -9.790 5.295 6.743 71 2HH1 ARG 8 1HH2 ARG 8 -11.032 4.318 7.462 72 1HH2 ARG 8 2HH1 ARG 8 -13.488 5.249 5.057 73 2HH2 ARG 8 1HH1 ARG 8 -13.184 4.302 6.474 74 H VAL 9 H VAL 9 -5.090 5.722 3.514 75 HA VAL 9 HA VAL 9 -3.862 4.185 5.749 76 HB VAL 9 HB VAL 9 -2.873 3.260 3.750 77 1HG1 VAL 9 1HG1 VAL 9 -3.210 5.045 2.109 78 2HG1 VAL 9 2HG1 VAL 9 -2.070 6.093 2.973 79 3HG1 VAL 9 3HG1 VAL 9 -1.506 4.599 2.199 80 1HG2 VAL 9 1HG2 VAL 9 -1.510 3.836 5.855 81 2HG2 VAL 9 2HG2 VAL 9 -0.664 3.446 4.360 82 3HG2 VAL 9 3HG2 VAL 9 -0.811 5.144 4.879 83 H ASP 10 H ASP 10 -2.447 5.351 7.104 84 HA ASP 10 HA ASP 10 -2.277 8.264 6.574 85 1HB ASP 10 2HB ASP 10 -4.367 7.752 8.011 86 2HB ASP 10 3HB ASP 10 -3.279 7.032 9.136 87 H GLY 11 H GLY 11 -0.636 9.228 7.806 88 1HA GLY 11 1HA GLY 11 0.986 9.024 9.608 89 2HA GLY 11 2HA GLY 11 1.427 7.411 9.034 90 H LEU 12 H LEU 12 2.294 7.313 6.752 91 HA LEU 12 HA LEU 12 4.542 9.125 6.796 92 1HB LEU 12 2HB LEU 12 5.648 7.793 5.290 93 2HB LEU 12 3HB LEU 12 4.679 6.680 6.228 94 HG LEU 12 HG LEU 12 2.965 6.827 4.267 95 1HD1 LEU 12 1HD1 LEU 12 5.484 8.005 2.982 96 2HD1 LEU 12 2HD1 LEU 12 4.267 7.156 2.015 97 3HD1 LEU 12 3HD1 LEU 12 3.845 8.640 2.828 98 1HD2 LEU 12 1HD2 LEU 12 5.668 5.474 4.036 99 2HD2 LEU 12 2HD2 LEU 12 4.139 4.831 4.658 100 3HD2 LEU 12 3HD2 LEU 12 4.299 5.139 2.942 101 H SER 13 H SER 13 5.280 10.535 5.167 102 HA SER 13 HA SER 13 3.330 11.486 3.144 103 1HB SER 13 2HB SER 13 3.836 13.843 4.149 104 2HB SER 13 3HB SER 13 2.679 12.810 5.002 105 HG SER 13 HG SER 13 4.167 12.293 6.508 106 H CYS 14 H CYS 14 5.198 10.168 2.050 107 HA CYS 14 HA CYS 14 6.788 12.266 0.790 108 1HB CYS 14 2HB CYS 14 8.299 11.654 2.629 109 2HB CYS 14 3HB CYS 14 8.214 9.941 2.147 110 HG CYS 14 HG CYS 14 10.473 10.981 1.352 111 H THR 15 H THR 15 6.614 11.942 -1.349 112 HA THR 15 HA THR 15 5.492 9.856 -2.664 113 HB THR 15 HB THR 15 7.772 11.586 -3.707 114 HG1 THR 15 1HG THR 15 5.038 12.263 -3.406 115 1HG2 THR 15 1HG2 THR 15 5.251 10.491 -5.046 116 2HG2 THR 15 2HG2 THR 15 6.420 11.607 -5.785 117 3HG2 THR 15 3HG2 THR 15 6.919 9.962 -5.354 118 H ASN 16 H ASN 16 8.989 10.174 -1.837 119 HA ASN 16 HA ASN 16 9.866 7.994 -3.329 120 1HB ASN 16 2HB ASN 16 11.230 9.821 -2.238 121 2HB ASN 16 3HB ASN 16 11.073 8.945 -0.705 122 1HD2 ASN 16 1HD2 ASN 16 13.601 9.450 -1.627 123 2HD2 ASN 16 2HD2 ASN 16 14.309 7.987 -2.285 124 H CYS 17 H CYS 17 8.504 8.198 -0.038 125 HA CYS 17 HA CYS 17 9.003 5.391 0.644 126 1HB CYS 17 2HB CYS 17 7.357 7.616 1.867 127 2HB CYS 17 3HB CYS 17 7.193 5.928 2.390 128 HG CYS 17 HG CYS 17 9.991 7.635 2.153 129 H ALA 18 H ALA 18 6.273 7.322 -0.667 130 HA ALA 18 HA ALA 18 4.410 5.197 -0.917 131 1HB ALA 18 1HB ALA 18 3.827 7.548 -1.333 132 2HB ALA 18 2HB ALA 18 4.818 7.553 -2.804 133 3HB ALA 18 3HB ALA 18 3.393 6.530 -2.718 134 H ALA 19 H ALA 19 7.032 6.229 -3.123 135 HA ALA 19 HA ALA 19 6.605 4.296 -5.148 136 1HB ALA 19 1HB ALA 19 8.841 4.819 -5.906 137 2HB ALA 19 2HB ALA 19 7.997 6.305 -5.432 138 3HB ALA 19 3HB ALA 19 9.236 5.605 -4.370 139 H LYS 20 H LYS 20 8.702 4.188 -2.221 140 HA LYS 20 HA LYS 20 9.727 1.585 -2.579 141 1HB LYS 20 2HB LYS 20 10.289 3.312 -0.746 142 2HB LYS 20 3HB LYS 20 8.843 2.754 0.087 143 1HG LYS 20 2HG LYS 20 10.527 1.556 1.105 144 2HG LYS 20 3HG LYS 20 9.856 0.376 -0.027 145 1HD LYS 20 2HD LYS 20 11.703 0.860 -1.626 146 2HD LYS 20 3HD LYS 20 12.307 2.134 -0.544 147 1HE LYS 20 2HE LYS 20 12.665 0.405 1.245 148 2HE LYS 20 3HE LYS 20 12.143 -0.852 0.110 149 1HZ LYS 20 1HZ LYS 20 14.526 -0.662 0.228 150 2HZ LYS 20 2HZ LYS 20 14.014 -0.270 -1.283 151 3HZ LYS 20 3HZ LYS 20 14.483 0.913 -0.236 152 H PHE 21 H PHE 21 6.714 2.622 -0.929 153 HA PHE 21 HA PHE 21 5.711 0.089 -0.290 154 1HB PHE 21 2HB PHE 21 4.641 2.817 -0.431 155 2HB PHE 21 3HB PHE 21 3.450 1.618 -0.870 156 HD1 PHE 21 HD1 PHE 21 3.080 -0.431 0.628 157 HD2 PHE 21 HD2 PHE 21 5.131 3.150 1.883 158 HE1 PHE 21 HE1 PHE 21 2.361 -0.831 2.977 159 HE2 PHE 21 HE2 PHE 21 4.574 2.627 4.235 160 HZ PHE 21 HZ PHE 21 2.945 0.818 4.739 161 H GLU 22 H GLU 22 4.777 2.007 -3.284 162 HA GLU 22 HA GLU 22 3.019 0.000 -4.155 163 1HB GLU 22 2HB GLU 22 3.127 0.977 -6.386 164 2HB GLU 22 3HB GLU 22 2.881 2.152 -5.108 165 1HG GLU 22 2HG GLU 22 4.441 3.398 -6.090 166 2HG GLU 22 3HG GLU 22 5.622 2.254 -5.456 167 H ARG 23 H ARG 23 6.503 0.418 -4.810 168 HA ARG 23 HA ARG 23 6.814 -1.824 -6.534 169 1HB ARG 23 2HB ARG 23 8.449 0.147 -5.880 170 2HB ARG 23 3HB ARG 23 9.032 -1.002 -4.659 171 1HG ARG 23 2HG ARG 23 9.326 -2.682 -6.572 172 2HG ARG 23 3HG ARG 23 8.833 -1.382 -7.682 173 1HD ARG 23 2HD ARG 23 10.730 0.016 -6.726 174 2HD ARG 23 3HD ARG 23 11.281 -1.460 -5.884 175 HE ARG 23 HE ARG 23 10.892 -2.053 -8.639 176 1HH1 ARG 23 2HH2 ARG 23 13.059 -0.226 -6.569 177 2HH1 ARG 23 1HH2 ARG 23 14.414 -0.242 -7.659 178 1HH2 ARG 23 2HH1 ARG 23 12.642 -2.068 -10.162 179 2HH2 ARG 23 1HH1 ARG 23 14.155 -1.322 -9.768 180 H ASN 24 H ASN 24 7.145 -1.584 -2.945 181 HA ASN 24 HA ASN 24 7.726 -4.320 -2.419 182 1HB ASN 24 2HB ASN 24 6.389 -2.095 -0.857 183 2HB ASN 24 3HB ASN 24 6.150 -3.756 -0.333 184 1HD2 ASN 24 1HD2 ASN 24 7.170 -2.651 1.603 185 2HD2 ASN 24 2HD2 ASN 24 8.863 -3.028 1.766 186 H VAL 25 H VAL 25 4.574 -2.714 -3.002 187 HA VAL 25 HA VAL 25 3.042 -5.162 -2.719 188 HB VAL 25 HB VAL 25 2.375 -2.602 -4.268 189 1HG1 VAL 25 1HG1 VAL 25 0.668 -4.940 -3.339 190 2HG1 VAL 25 2HG1 VAL 25 0.004 -3.372 -3.796 191 3HG1 VAL 25 3HG1 VAL 25 0.894 -4.312 -5.001 192 1HG2 VAL 25 1HG2 VAL 25 1.807 -3.510 -1.439 193 2HG2 VAL 25 2HG2 VAL 25 2.757 -2.103 -1.885 194 3HG2 VAL 25 3HG2 VAL 25 1.026 -2.102 -2.201 195 H LYS 26 H LYS 26 4.291 -3.558 -5.715 196 HA LYS 26 HA LYS 26 3.540 -5.535 -7.535 197 1HB LYS 26 2HB LYS 26 5.790 -3.579 -7.291 198 2HB LYS 26 3HB LYS 26 5.848 -4.690 -8.629 199 1HG LYS 26 2HG LYS 26 3.857 -3.869 -9.599 200 2HG LYS 26 3HG LYS 26 3.300 -3.128 -8.079 201 1HD LYS 26 2HD LYS 26 4.985 -1.488 -8.097 202 2HD LYS 26 3HD LYS 26 5.864 -2.240 -9.431 203 1HE LYS 26 2HE LYS 26 4.045 -1.646 -11.002 204 2HE LYS 26 3HE LYS 26 3.053 -1.051 -9.657 205 1HZ LYS 26 1HZ LYS 26 4.080 0.815 -10.682 206 2HZ LYS 26 2HZ LYS 26 4.806 0.591 -9.226 207 3HZ LYS 26 3HZ LYS 26 5.585 0.146 -10.575 208 H GLU 27 H GLU 27 6.415 -5.653 -5.366 209 HA GLU 27 HA GLU 27 7.586 -8.013 -6.379 210 1HB GLU 27 2HB GLU 27 7.483 -6.662 -3.700 211 2HB GLU 27 3HB GLU 27 8.054 -8.324 -3.735 212 1HG GLU 27 2HG GLU 27 9.220 -6.287 -5.657 213 2HG GLU 27 3HG GLU 27 9.772 -6.390 -3.976 214 H ILE 28 H ILE 28 4.590 -7.730 -4.473 215 HA ILE 28 HA ILE 28 4.537 -10.530 -3.692 216 HB ILE 28 HB ILE 28 2.246 -8.597 -3.939 217 1HG1 ILE 28 2HG1 ILE 28 3.767 -8.943 -1.346 218 2HG1 ILE 28 3HG1 ILE 28 4.068 -7.615 -2.463 219 1HG2 ILE 28 1HG2 ILE 28 0.972 -10.073 -2.656 220 2HG2 ILE 28 2HG2 ILE 28 2.066 -11.267 -3.360 221 3HG2 ILE 28 3HG2 ILE 28 2.375 -10.668 -1.748 222 1HD1 ILE 28 1HD1 ILE 28 2.421 -6.967 -0.732 223 2HD1 ILE 28 2HD1 ILE 28 1.747 -6.884 -2.377 224 3HD1 ILE 28 3HD1 ILE 28 1.318 -8.222 -1.341 225 H GLU 29 H GLU 29 3.852 -12.229 -5.011 226 HA GLU 29 HA GLU 29 3.153 -11.816 -7.747 227 1HB GLU 29 2HB GLU 29 3.389 -14.183 -5.840 228 2HB GLU 29 3HB GLU 29 2.704 -14.374 -7.436 229 1HG GLU 29 2HG GLU 29 4.747 -13.417 -8.471 230 2HG GLU 29 3HG GLU 29 5.489 -13.295 -6.864 231 H GLY 30 H GLY 30 1.230 -11.586 -5.015 232 1HA GLY 30 1HA GLY 30 -1.218 -12.803 -6.064 233 2HA GLY 30 2HA GLY 30 -1.020 -11.895 -4.562 234 H VAL 31 H VAL 31 0.326 -9.605 -6.298 235 HA VAL 31 HA VAL 31 -2.257 -8.363 -7.031 236 HB VAL 31 HB VAL 31 -1.088 -7.613 -4.959 237 1HG1 VAL 31 1HG1 VAL 31 1.263 -7.862 -6.010 238 2HG1 VAL 31 2HG1 VAL 31 0.958 -6.286 -6.755 239 3HG1 VAL 31 3HG1 VAL 31 0.910 -6.496 -4.979 240 1HG2 VAL 31 1HG2 VAL 31 -1.281 -5.609 -7.202 241 2HG2 VAL 31 2HG2 VAL 31 -2.619 -6.161 -6.144 242 3HG2 VAL 31 3HG2 VAL 31 -1.257 -5.226 -5.477 243 H THR 32 H THR 32 -2.178 -6.922 -8.816 244 HA THR 32 HA THR 32 -0.110 -7.547 -10.870 245 HB THR 32 HB THR 32 -2.991 -6.627 -11.254 246 HG1 THR 32 1HG THR 32 -3.183 -8.816 -12.037 247 1HG2 THR 32 1HG2 THR 32 -0.855 -7.579 -13.220 248 2HG2 THR 32 2HG2 THR 32 -2.551 -7.234 -13.627 249 3HG2 THR 32 3HG2 THR 32 -1.488 -5.926 -13.089 250 H GLU 33 H GLU 33 -2.386 -5.001 -9.682 251 HA GLU 33 HA GLU 33 -0.124 -3.035 -10.121 252 1HB GLU 33 2HB GLU 33 -3.015 -2.477 -10.897 253 2HB GLU 33 3HB GLU 33 -1.691 -1.315 -10.833 254 1HG GLU 33 2HG GLU 33 -0.456 -2.966 -12.456 255 2HG GLU 33 3HG GLU 33 -2.088 -3.586 -12.772 256 H ALA 34 H ALA 34 -0.241 -1.059 -8.898 257 HA ALA 34 HA ALA 34 -2.108 -0.958 -6.687 258 1HB ALA 34 1HB ALA 34 0.907 -1.151 -6.184 259 2HB ALA 34 2HB ALA 34 -0.337 -0.821 -4.955 260 3HB ALA 34 3HB ALA 34 -0.301 -2.391 -5.787 261 H ILE 35 H ILE 35 -2.369 1.196 -6.027 262 HA ILE 35 HA ILE 35 -0.579 3.244 -7.290 263 HB ILE 35 HB ILE 35 -3.611 3.392 -7.451 264 1HG1 ILE 35 2HG1 ILE 35 -1.696 3.122 -9.795 265 2HG1 ILE 35 3HG1 ILE 35 -2.513 1.725 -9.086 266 1HG2 ILE 35 1HG2 ILE 35 -2.478 5.569 -7.127 267 2HG2 ILE 35 2HG2 ILE 35 -1.422 5.224 -8.510 268 3HG2 ILE 35 3HG2 ILE 35 -3.166 5.449 -8.742 269 1HD1 ILE 35 1HD1 ILE 35 -4.713 2.697 -9.504 270 2HD1 ILE 35 2HD1 ILE 35 -3.956 4.086 -10.319 271 3HD1 ILE 35 3HD1 ILE 35 -3.770 2.457 -10.985 272 H VAL 36 H VAL 36 0.287 4.122 -5.481 273 HA VAL 36 HA VAL 36 -1.399 4.178 -3.041 274 HB VAL 36 HB VAL 36 0.330 3.317 -1.842 275 1HG1 VAL 36 1HG1 VAL 36 -0.713 1.698 -3.542 276 2HG1 VAL 36 2HG1 VAL 36 0.757 1.874 -4.489 277 3HG1 VAL 36 3HG1 VAL 36 0.852 1.216 -2.849 278 1HG2 VAL 36 1HG2 VAL 36 2.651 2.916 -2.801 279 2HG2 VAL 36 2HG2 VAL 36 2.213 4.011 -4.134 280 3HG2 VAL 36 3HG2 VAL 36 2.260 4.599 -2.469 281 H ASN 37 H ASN 37 -1.817 6.117 -2.212 282 HA ASN 37 HA ASN 37 -0.314 8.404 -3.378 283 1HB ASN 37 2HB ASN 37 -2.969 8.227 -1.941 284 2HB ASN 37 3HB ASN 37 -2.234 9.719 -2.553 285 1HD2 ASN 37 1HD2 ASN 37 -4.608 9.466 -3.589 286 2HD2 ASN 37 2HD2 ASN 37 -4.570 8.748 -5.191 287 H PHE 38 H PHE 38 -1.398 7.255 -0.149 288 HA PHE 38 HA PHE 38 -0.749 7.826 1.958 289 1HB PHE 38 2HB PHE 38 1.922 8.149 0.522 290 2HB PHE 38 3HB PHE 38 1.738 8.158 2.260 291 HD1 PHE 38 HD1 PHE 38 1.798 5.971 -0.653 292 HD2 PHE 38 HD2 PHE 38 0.905 6.276 3.550 293 HE1 PHE 38 HE1 PHE 38 2.066 3.497 -0.389 294 HE2 PHE 38 HE2 PHE 38 1.374 3.855 3.811 295 HZ PHE 38 HZ PHE 38 1.740 2.447 1.827 296 H GLY 39 H GLY 39 1.065 9.823 3.067 297 1HA GLY 39 1HA GLY 39 1.242 12.058 3.415 298 2HA GLY 39 2HA GLY 39 0.345 12.412 1.936 299 H ALA 40 H ALA 40 -1.986 11.650 2.065 300 HA ALA 40 HA ALA 40 -3.384 11.455 4.577 301 1HB ALA 40 1HB ALA 40 -3.492 14.140 3.109 302 2HB ALA 40 2HB ALA 40 -4.606 13.634 4.399 303 3HB ALA 40 3HB ALA 40 -2.887 13.867 4.756 304 H SER 41 H SER 41 -3.549 9.647 2.806 305 HA SER 41 HA SER 41 -6.016 10.018 1.273 306 1HB SER 41 2HB SER 41 -3.313 9.837 -0.105 307 2HB SER 41 3HB SER 41 -4.839 9.423 -0.912 308 HG SER 41 HG SER 41 -4.785 11.871 0.363 309 H LYS 42 H LYS 42 -4.173 7.635 -0.295 310 HA LYS 42 HA LYS 42 -5.257 5.477 1.292 311 1HB LYS 42 2HB LYS 42 -7.060 4.960 -0.294 312 2HB LYS 42 3HB LYS 42 -7.286 6.463 0.582 313 1HG LYS 42 2HG LYS 42 -6.172 7.511 -1.648 314 2HG LYS 42 3HG LYS 42 -6.811 6.041 -2.356 315 1HD LYS 42 2HD LYS 42 -8.331 8.174 -0.778 316 2HD LYS 42 3HD LYS 42 -8.398 7.916 -2.526 317 1HE LYS 42 2HE LYS 42 -9.423 5.659 -2.147 318 2HE LYS 42 3HE LYS 42 -9.386 5.932 -0.398 319 1HZ LYS 42 1HZ LYS 42 -10.949 7.468 -2.355 320 2HZ LYS 42 2HZ LYS 42 -11.513 6.375 -1.259 321 3HZ LYS 42 3HZ LYS 42 -10.874 7.798 -0.743 322 H ILE 43 H ILE 43 -5.187 3.467 0.076 323 HA ILE 43 HA ILE 43 -2.902 3.327 -1.833 324 HB ILE 43 HB ILE 43 -2.040 2.963 0.316 325 1HG1 ILE 43 2HG1 ILE 43 -2.282 0.110 -0.719 326 2HG1 ILE 43 3HG1 ILE 43 -1.283 1.342 -1.518 327 1HG2 ILE 43 1HG2 ILE 43 -3.980 2.461 1.650 328 2HG2 ILE 43 2HG2 ILE 43 -4.229 0.919 0.794 329 3HG2 ILE 43 3HG2 ILE 43 -2.830 1.143 1.816 330 1HD1 ILE 43 1HD1 ILE 43 -0.914 0.141 1.207 331 2HD1 ILE 43 2HD1 ILE 43 0.223 0.290 -0.146 332 3HD1 ILE 43 3HD1 ILE 43 -0.215 1.720 0.793 333 H THR 44 H THR 44 -3.806 2.708 -3.702 334 HA THR 44 HA THR 44 -6.046 0.792 -3.733 335 HB THR 44 HB THR 44 -4.648 2.241 -5.976 336 HG1 THR 44 1HG THR 44 -6.198 3.114 -4.211 337 1HG2 THR 44 1HG2 THR 44 -7.192 0.571 -6.007 338 2HG2 THR 44 2HG2 THR 44 -6.614 1.597 -7.334 339 3HG2 THR 44 3HG2 THR 44 -5.675 0.181 -6.849 340 H VAL 45 H VAL 45 -5.872 -1.241 -4.437 341 HA VAL 45 HA VAL 45 -3.255 -2.417 -5.192 342 HB VAL 45 HB VAL 45 -5.243 -3.257 -3.056 343 1HG1 VAL 45 1HG1 VAL 45 -2.722 -4.746 -3.882 344 2HG1 VAL 45 2HG1 VAL 45 -3.853 -5.223 -2.608 345 3HG1 VAL 45 3HG1 VAL 45 -4.373 -5.268 -4.296 346 1HG2 VAL 45 1HG2 VAL 45 -3.284 -3.138 -1.503 347 2HG2 VAL 45 2HG2 VAL 45 -2.321 -2.446 -2.826 348 3HG2 VAL 45 3HG2 VAL 45 -3.727 -1.571 -2.181 349 H THR 46 H THR 46 -3.622 -3.919 -6.905 350 HA THR 46 HA THR 46 -6.369 -4.797 -7.497 351 HB THR 46 HB THR 46 -4.590 -3.127 -9.355 352 HG1 THR 46 1HG THR 46 -6.552 -2.769 -7.641 353 1HG2 THR 46 1HG2 THR 46 -6.510 -3.315 -10.965 354 2HG2 THR 46 2HG2 THR 46 -5.679 -4.860 -10.730 355 3HG2 THR 46 3HG2 THR 46 -7.235 -4.560 -9.927 356 H GLY 47 H GLY 47 -6.412 -6.757 -8.279 357 1HA GLY 47 1HA GLY 47 -4.790 -7.940 -10.039 358 2HA GLY 47 2HA GLY 47 -3.778 -8.087 -8.637 359 H GLU 48 H GLU 48 -4.254 -9.399 -6.904 360 HA GLU 48 HA GLU 48 -6.854 -10.494 -6.330 361 1HB GLU 48 2HB GLU 48 -5.884 -11.965 -8.259 362 2HB GLU 48 3HB GLU 48 -4.691 -12.509 -7.078 363 1HG GLU 48 2HG GLU 48 -6.627 -13.278 -5.623 364 2HG GLU 48 3HG GLU 48 -7.728 -12.790 -6.925 365 H ALA 49 H ALA 49 -5.443 -8.823 -4.722 366 HA ALA 49 HA ALA 49 -4.715 -10.579 -2.485 367 1HB ALA 49 1HB ALA 49 -2.554 -10.322 -3.622 368 2HB ALA 49 2HB ALA 49 -2.740 -8.554 -3.611 369 3HB ALA 49 3HB ALA 49 -2.544 -9.443 -2.087 370 H SER 50 H SER 50 -4.246 -9.305 -0.509 371 HA SER 50 HA SER 50 -6.100 -6.983 -0.315 372 1HB SER 50 2HB SER 50 -5.572 -9.275 1.635 373 2HB SER 50 3HB SER 50 -6.624 -7.895 1.954 374 HG SER 50 HG SER 50 -7.826 -8.578 0.042 375 H ILE 51 H ILE 51 -5.725 -5.619 1.617 376 HA ILE 51 HA ILE 51 -3.233 -4.486 1.637 377 HB ILE 51 HB ILE 51 -5.311 -3.511 2.596 378 1HG1 ILE 51 2HG1 ILE 51 -3.347 -2.247 2.670 379 2HG1 ILE 51 3HG1 ILE 51 -4.364 -2.040 4.097 380 1HG2 ILE 51 1HG2 ILE 51 -4.510 -4.912 5.176 381 2HG2 ILE 51 2HG2 ILE 51 -5.808 -3.735 4.963 382 3HG2 ILE 51 3HG2 ILE 51 -5.926 -5.324 4.184 383 1HD1 ILE 51 1HD1 ILE 51 -1.680 -3.400 3.917 384 2HD1 ILE 51 2HD1 ILE 51 -2.140 -2.065 4.929 385 3HD1 ILE 51 3HD1 ILE 51 -2.771 -3.651 5.309 386 H GLN 52 H GLN 52 -4.283 -7.062 3.905 387 HA GLN 52 HA GLN 52 -2.413 -7.354 5.753 388 1HB GLN 52 2HB GLN 52 -3.401 -9.492 3.851 389 2HB GLN 52 3HB GLN 52 -2.513 -9.862 5.332 390 1HG GLN 52 2HG GLN 52 -5.058 -8.172 5.437 391 2HG GLN 52 3HG GLN 52 -5.091 -9.932 5.377 392 1HE2 GLN 52 1HE2 GLN 52 -3.751 -7.154 7.421 393 2HE2 GLN 52 2HE2 GLN 52 -3.758 -8.151 8.839 394 H GLN 53 H GLN 53 -1.708 -8.306 2.396 395 HA GLN 53 HA GLN 53 0.988 -9.250 2.964 396 1HB GLN 53 2HB GLN 53 -0.261 -8.324 0.369 397 2HB GLN 53 3HB GLN 53 1.265 -9.215 0.568 398 1HG GLN 53 2HG GLN 53 -0.919 -10.608 1.962 399 2HG GLN 53 3HG GLN 53 -1.362 -10.262 0.288 400 1HE2 GLN 53 1HE2 GLN 53 -1.209 -12.346 -0.537 401 2HE2 GLN 53 2HE2 GLN 53 0.294 -13.251 -0.549 402 H VAL 54 H VAL 54 -0.402 -6.236 1.753 403 HA VAL 54 HA VAL 54 2.018 -4.742 1.339 404 HB VAL 54 HB VAL 54 -0.825 -3.668 1.730 405 1HG1 VAL 54 1HG1 VAL 54 0.093 -1.954 0.123 406 2HG1 VAL 54 2HG1 VAL 54 0.638 -1.890 1.803 407 3HG1 VAL 54 3HG1 VAL 54 1.713 -2.549 0.562 408 1HG2 VAL 54 1HG2 VAL 54 -0.872 -3.792 -0.825 409 2HG2 VAL 54 2HG2 VAL 54 0.423 -5.003 -0.681 410 3HG2 VAL 54 3HG2 VAL 54 -1.152 -5.286 0.063 411 H GLU 55 H GLU 55 -0.196 -5.349 3.982 412 HA GLU 55 HA GLU 55 0.449 -3.332 5.815 413 1HB GLU 55 2HB GLU 55 -1.344 -5.326 5.714 414 2HB GLU 55 3HB GLU 55 -0.213 -6.091 6.824 415 1HG GLU 55 2HG GLU 55 -0.425 -4.218 8.375 416 2HG GLU 55 3HG GLU 55 -1.481 -3.355 7.246 417 H GLN 56 H GLN 56 1.574 -6.716 5.470 418 HA GLN 56 HA GLN 56 3.647 -6.744 7.334 419 1HB GLN 56 2HB GLN 56 2.686 -8.658 5.984 420 2HB GLN 56 3HB GLN 56 3.753 -8.208 4.653 421 1HG GLN 56 2HG GLN 56 4.764 -8.845 7.469 422 2HG GLN 56 3HG GLN 56 4.483 -10.071 6.236 423 1HE2 GLN 56 1HE2 GLN 56 6.482 -7.087 6.840 424 2HE2 GLN 56 2HE2 GLN 56 7.799 -7.695 5.859 425 H ALA 57 H ALA 57 3.944 -5.974 3.798 426 HA ALA 57 HA ALA 57 6.610 -5.160 3.733 427 1HB ALA 57 1HB ALA 57 4.103 -4.463 2.212 428 2HB ALA 57 2HB ALA 57 5.530 -3.491 1.936 429 3HB ALA 57 3HB ALA 57 5.584 -5.248 1.653 430 H GLY 58 H GLY 58 3.712 -3.159 4.573 431 1HA GLY 58 1HA GLY 58 5.031 -0.717 4.833 432 2HA GLY 58 2HA GLY 58 3.482 -1.198 5.590 433 H ALA 59 H ALA 59 5.145 -3.492 6.978 434 HA ALA 59 HA ALA 59 5.690 -2.292 9.444 435 1HB ALA 59 1HB ALA 59 7.131 -4.690 8.264 436 2HB ALA 59 2HB ALA 59 6.957 -4.273 9.976 437 3HB ALA 59 3HB ALA 59 5.525 -4.741 9.041 438 H PHE 60 H PHE 60 7.628 -2.082 6.459 439 HA PHE 60 HA PHE 60 10.091 -1.437 7.665 440 1HB PHE 60 2HB PHE 60 10.761 -0.372 5.705 441 2HB PHE 60 3HB PHE 60 9.822 -1.784 5.267 442 HD1 PHE 60 HD1 PHE 60 9.736 1.960 5.514 443 HD2 PHE 60 HD2 PHE 60 8.187 -1.544 3.570 444 HE1 PHE 60 HE1 PHE 60 8.655 3.381 3.803 445 HE2 PHE 60 HE2 PHE 60 6.996 -0.116 1.931 446 HZ PHE 60 HZ PHE 60 7.297 2.335 1.984 447 H GLU 61 H GLU 61 7.202 0.584 7.351 448 HA GLU 61 HA GLU 61 8.525 2.701 9.039 449 1HB GLU 61 2HB GLU 61 6.884 2.855 6.547 450 2HB GLU 61 3HB GLU 61 6.568 4.073 7.800 451 1HG GLU 61 2HG GLU 61 9.435 3.620 7.024 452 2HG GLU 61 3HG GLU 61 8.363 4.493 5.909 453 H HIS 62 H HIS 62 6.055 0.349 8.952 454 HA HIS 62 HA HIS 62 4.622 -0.310 10.557 455 1HB HIS 62 2HB HIS 62 5.253 2.083 12.299 456 2HB HIS 62 3HB HIS 62 4.668 0.495 12.767 457 HD1 HIS 62 1HD HIS 62 7.269 -0.941 11.022 458 HD2 HIS 62 2HD HIS 62 7.261 2.052 13.987 459 HE1 HIS 62 1HE HIS 62 9.540 -1.005 12.119 460 H LEU 63 H LEU 63 3.406 0.760 8.439 461 HA LEU 63 HA LEU 63 1.952 3.211 9.149 462 1HB LEU 63 2HB LEU 63 1.888 1.319 6.777 463 2HB LEU 63 3HB LEU 63 0.715 2.624 6.935 464 HG LEU 63 HG LEU 63 2.573 3.231 5.520 465 1HD1 LEU 63 1HD1 LEU 63 1.214 4.885 6.902 466 2HD1 LEU 63 2HD1 LEU 63 2.610 4.983 8.003 467 3HD1 LEU 63 3HD1 LEU 63 2.774 5.440 6.306 468 1HD2 LEU 63 1HD2 LEU 63 4.334 3.246 7.992 469 2HD2 LEU 63 2HD2 LEU 63 4.398 2.011 6.705 470 3HD2 LEU 63 3HD2 LEU 63 4.781 3.704 6.357 471 H LYS 64 H LYS 64 -0.546 3.365 8.942 472 HA LYS 64 HA LYS 64 -1.812 0.882 9.946 473 1HB LYS 64 2HB LYS 64 -3.259 2.272 11.342 474 2HB LYS 64 3HB LYS 64 -1.577 2.182 11.851 475 1HG LYS 64 2HG LYS 64 -2.021 4.318 12.314 476 2HG LYS 64 3HG LYS 64 -1.291 4.523 10.717 477 1HD LYS 64 2HD LYS 64 -3.286 5.141 9.761 478 2HD LYS 64 3HD LYS 64 -4.214 4.013 10.651 479 1HE LYS 64 2HE LYS 64 -4.973 6.175 11.403 480 2HE LYS 64 3HE LYS 64 -4.094 5.402 12.723 481 1HZ LYS 64 1HZ LYS 64 -3.244 7.674 11.052 482 2HZ LYS 64 2HZ LYS 64 -3.367 7.598 12.649 483 3HZ LYS 64 3HZ LYS 64 -2.139 6.800 11.896 484 H ILE 65 H ILE 65 -3.025 0.195 8.356 485 HA ILE 65 HA ILE 65 -4.280 2.152 6.517 486 HB ILE 65 HB ILE 65 -3.661 -0.702 5.820 487 1HG1 ILE 65 2HG1 ILE 65 -1.750 1.577 5.840 488 2HG1 ILE 65 3HG1 ILE 65 -1.518 -0.163 6.092 489 1HG2 ILE 65 1HG2 ILE 65 -5.360 0.399 4.520 490 2HG2 ILE 65 2HG2 ILE 65 -4.289 1.741 4.135 491 3HG2 ILE 65 3HG2 ILE 65 -3.951 0.121 3.507 492 1HD1 ILE 65 1HD1 ILE 65 -0.292 0.406 4.191 493 2HD1 ILE 65 2HD1 ILE 65 -1.730 -0.389 3.537 494 3HD1 ILE 65 3HD1 ILE 65 -1.585 1.386 3.521 495 H ILE 66 H ILE 66 -6.519 1.755 6.075 496 HA ILE 66 HA ILE 66 -7.832 -0.147 7.943 497 HB ILE 66 HB ILE 66 -8.589 2.728 7.331 498 1HG1 ILE 66 2HG1 ILE 66 -7.574 1.438 9.911 499 2HG1 ILE 66 3HG1 ILE 66 -6.634 2.512 8.867 500 1HG2 ILE 66 1HG2 ILE 66 -10.565 1.223 7.633 501 2HG2 ILE 66 2HG2 ILE 66 -9.895 0.677 9.182 502 3HG2 ILE 66 3HG2 ILE 66 -10.415 2.360 8.963 503 1HD1 ILE 66 1HD1 ILE 66 -7.400 3.809 10.693 504 2HD1 ILE 66 2HD1 ILE 66 -8.289 4.334 9.251 505 3HD1 ILE 66 3HD1 ILE 66 -9.078 3.304 10.474 506 HA PRO 67 HA PRO 67 -9.810 -1.012 3.881 507 1HB PRO 67 2HB PRO 67 -11.509 -2.990 4.719 508 2HB PRO 67 3HB PRO 67 -9.782 -3.290 4.408 509 1HG PRO 67 2HG PRO 67 -11.124 -2.820 7.061 510 2HG PRO 67 3HG PRO 67 -9.886 -4.040 6.650 511 1HD PRO 67 2HD PRO 67 -9.330 -1.681 7.898 512 2HD PRO 67 3HD PRO 67 -8.154 -2.439 6.781 513 H GLU 68 H GLU 68 -11.076 0.738 3.446 514 HA GLU 68 HA GLU 68 -13.085 1.809 5.123 515 1HB GLU 68 2HB GLU 68 -14.065 2.703 2.984 516 2HB GLU 68 3HB GLU 68 -12.370 3.123 3.270 517 1HG GLU 68 2HG GLU 68 -11.614 1.514 1.618 518 2HG GLU 68 3HG GLU 68 -13.245 0.848 1.455 519 H LYS 69 H LYS 69 -15.345 1.519 5.219 520 HA LYS 69 HA LYS 69 -16.619 -0.675 3.804 521 1HB LYS 69 2HB LYS 69 -15.505 -1.639 5.975 522 2HB LYS 69 3HB LYS 69 -16.637 -0.613 6.853 523 1HG LYS 69 2HG LYS 69 -17.845 -2.570 6.800 524 2HG LYS 69 3HG LYS 69 -18.462 -1.823 5.332 525 1HD LYS 69 2HD LYS 69 -16.443 -3.123 4.155 526 2HD LYS 69 3HD LYS 69 -16.340 -3.981 5.688 527 1HE LYS 69 2HE LYS 69 -17.680 -5.383 4.351 528 2HE LYS 69 3HE LYS 69 -18.830 -4.569 5.422 529 1HZ LYS 69 1HZ LYS 69 -18.235 -3.837 2.621 530 2HZ LYS 69 2HZ LYS 69 -19.589 -4.601 3.155 531 3HZ LYS 69 3HZ LYS 69 -19.303 -3.046 3.594 532 H GLU 70 H GLU 70 -18.735 -0.016 3.452 533 HA GLU 70 HA GLU 70 -20.077 1.588 5.507 534 1HB GLU 70 2HB GLU 70 -19.253 3.148 3.595 535 2HB GLU 70 3HB GLU 70 -20.435 2.311 2.574 536 1HG GLU 70 2HG GLU 70 -22.172 2.894 4.398 537 2HG GLU 70 3HG GLU 70 -20.924 3.939 5.103 538 H ALA 71 H ALA 71 -21.215 -0.252 6.138 539 HA ALA 71 HA ALA 71 -23.558 -1.060 5.059 540 1HB ALA 71 1HB ALA 71 -21.271 -2.955 4.339 541 2HB ALA 71 2HB ALA 71 -22.984 -3.405 4.357 542 3HB ALA 71 3HB ALA 71 -22.415 -2.220 3.182 Start of MODEL 2 1 1H MET 1 H1 MET 1 -15.553 -12.402 -8.625 2 2H MET 1 H2 MET 1 -16.918 -13.259 -8.998 3 3H MET 1 H3 MET 1 -16.121 -12.397 -10.162 4 HA MET 1 HA MET 1 -18.084 -11.244 -9.550 5 1HB MET 1 2HB MET 1 -16.895 -11.523 -6.771 6 2HB MET 1 3HB MET 1 -17.907 -10.133 -7.185 7 1HG MET 1 2HG MET 1 -19.739 -11.598 -7.876 8 2HG MET 1 3HG MET 1 -18.800 -13.024 -7.394 9 1HE MET 1 1HE MET 1 -21.015 -13.691 -5.977 10 2HE MET 1 2HE MET 1 -21.703 -12.640 -4.717 11 3HE MET 1 3HE MET 1 -21.804 -12.155 -6.425 12 H ALA 2 H ALA 2 -15.329 -10.029 -7.535 13 HA ALA 2 HA ALA 2 -14.275 -8.451 -9.704 14 1HB ALA 2 1HB ALA 2 -15.594 -7.094 -7.311 15 2HB ALA 2 2HB ALA 2 -14.573 -6.296 -8.529 16 3HB ALA 2 3HB ALA 2 -16.135 -6.988 -9.004 17 H GLU 3 H GLU 3 -12.235 -7.565 -8.985 18 HA GLU 3 HA GLU 3 -11.061 -8.723 -6.494 19 1HB GLU 3 2HB GLU 3 -9.217 -9.415 -7.986 20 2HB GLU 3 3HB GLU 3 -10.723 -10.240 -8.346 21 1HG GLU 3 2HG GLU 3 -10.303 -7.736 -9.950 22 2HG GLU 3 3HG GLU 3 -9.124 -9.011 -10.214 23 H LYS 4 H LYS 4 -11.846 -6.061 -6.718 24 HA LYS 4 HA LYS 4 -9.272 -4.556 -6.786 25 1HB LYS 4 2HB LYS 4 -10.724 -2.584 -7.474 26 2HB LYS 4 3HB LYS 4 -10.322 -3.755 -8.726 27 1HG LYS 4 2HG LYS 4 -12.440 -4.637 -8.867 28 2HG LYS 4 3HG LYS 4 -12.939 -4.136 -7.251 29 1HD LYS 4 2HD LYS 4 -12.282 -2.097 -9.403 30 2HD LYS 4 3HD LYS 4 -13.873 -2.850 -9.363 31 1HE LYS 4 2HE LYS 4 -12.658 -1.396 -6.952 32 2HE LYS 4 3HE LYS 4 -13.662 -0.595 -8.166 33 1HZ LYS 4 1HZ LYS 4 -14.941 -1.276 -6.274 34 2HZ LYS 4 2HZ LYS 4 -15.452 -2.075 -7.612 35 3HZ LYS 4 3HZ LYS 4 -14.533 -2.852 -6.485 36 H THR 5 H THR 5 -8.893 -3.328 -4.950 37 HA THR 5 HA THR 5 -11.161 -2.434 -3.334 38 HB THR 5 HB THR 5 -8.957 -4.192 -2.105 39 HG1 THR 5 1HG THR 5 -11.418 -4.504 -3.131 40 1HG2 THR 5 1HG2 THR 5 -9.718 -2.463 -0.465 41 2HG2 THR 5 2HG2 THR 5 -11.411 -2.824 -0.862 42 3HG2 THR 5 3HG2 THR 5 -10.406 -4.039 -0.058 43 H VAL 6 H VAL 6 -10.552 -0.658 -1.983 44 HA VAL 6 HA VAL 6 -7.782 -0.051 -2.067 45 HB VAL 6 HB VAL 6 -8.613 1.240 -3.877 46 1HG1 VAL 6 1HG1 VAL 6 -10.874 2.301 -2.193 47 2HG1 VAL 6 2HG1 VAL 6 -10.430 2.824 -3.841 48 3HG1 VAL 6 3HG1 VAL 6 -10.977 1.169 -3.570 49 1HG2 VAL 6 1HG2 VAL 6 -8.586 3.235 -1.550 50 2HG2 VAL 6 2HG2 VAL 6 -7.130 2.600 -2.340 51 3HG2 VAL 6 3HG2 VAL 6 -8.261 3.597 -3.256 52 H TYR 7 H TYR 7 -6.963 1.087 -0.338 53 HA TYR 7 HA TYR 7 -8.732 1.014 2.079 54 1HB TYR 7 2HB TYR 7 -5.842 0.119 1.827 55 2HB TYR 7 3HB TYR 7 -6.903 -0.020 3.231 56 HD1 TYR 7 HD1 TYR 7 -7.891 -2.063 3.677 57 HD2 TYR 7 HD2 TYR 7 -6.402 -1.275 -0.280 58 HE1 TYR 7 HE1 TYR 7 -8.333 -4.402 3.052 59 HE2 TYR 7 HE2 TYR 7 -6.739 -3.653 -0.865 60 HH TYR 7 HH TYR 7 -8.316 -5.964 1.278 61 H ARG 8 H ARG 8 -8.100 2.526 3.744 62 HA ARG 8 HA ARG 8 -6.688 4.928 2.655 63 1HB ARG 8 2HB ARG 8 -8.331 4.372 5.165 64 2HB ARG 8 3HB ARG 8 -7.455 5.884 4.935 65 1HG ARG 8 2HG ARG 8 -9.503 4.932 2.909 66 2HG ARG 8 3HG ARG 8 -9.933 5.737 4.428 67 1HD ARG 8 2HD ARG 8 -8.436 7.695 3.754 68 2HD ARG 8 3HD ARG 8 -8.231 6.907 2.198 69 HE ARG 8 HE ARG 8 -10.321 7.612 1.557 70 1HH1 ARG 8 2HH2 ARG 8 -10.156 7.838 5.080 71 2HH1 ARG 8 1HH2 ARG 8 -11.856 8.194 5.267 72 1HH2 ARG 8 2HH1 ARG 8 -12.580 8.241 1.844 73 2HH2 ARG 8 1HH1 ARG 8 -13.201 7.779 3.402 74 H VAL 9 H VAL 9 -4.629 5.379 3.336 75 HA VAL 9 HA VAL 9 -3.538 3.957 5.719 76 HB VAL 9 HB VAL 9 -2.122 3.245 4.020 77 1HG1 VAL 9 1HG1 VAL 9 -2.228 6.044 2.789 78 2HG1 VAL 9 2HG1 VAL 9 -1.194 4.716 2.230 79 3HG1 VAL 9 3HG1 VAL 9 -2.939 4.564 2.107 80 1HG2 VAL 9 1HG2 VAL 9 -1.022 4.427 5.949 81 2HG2 VAL 9 2HG2 VAL 9 -0.047 4.294 4.514 82 3HG2 VAL 9 3HG2 VAL 9 -0.801 5.843 4.868 83 H ASP 10 H ASP 10 -2.452 5.276 7.253 84 HA ASP 10 HA ASP 10 -2.268 8.127 6.650 85 1HB ASP 10 2HB ASP 10 -4.519 7.331 8.086 86 2HB ASP 10 3HB ASP 10 -3.351 7.628 9.382 87 H GLY 11 H GLY 11 -0.640 9.126 7.865 88 1HA GLY 11 1HA GLY 11 0.433 8.979 10.136 89 2HA GLY 11 2HA GLY 11 1.041 7.388 9.657 90 H LEU 12 H LEU 12 1.975 7.601 7.225 91 HA LEU 12 HA LEU 12 4.441 8.994 7.637 92 1HB LEU 12 2HB LEU 12 5.214 7.894 5.745 93 2HB LEU 12 3HB LEU 12 4.111 6.798 6.505 94 HG LEU 12 HG LEU 12 3.565 6.497 4.341 95 1HD1 LEU 12 1HD1 LEU 12 1.497 7.361 3.642 96 2HD1 LEU 12 2HD1 LEU 12 1.394 7.227 5.384 97 3HD1 LEU 12 3HD1 LEU 12 1.633 8.805 4.632 98 1HD2 LEU 12 1HD2 LEU 12 5.152 8.423 3.628 99 2HD2 LEU 12 2HD2 LEU 12 3.855 8.005 2.514 100 3HD2 LEU 12 3HD2 LEU 12 3.698 9.417 3.543 101 H SER 13 H SER 13 5.455 10.332 5.753 102 HA SER 13 HA SER 13 3.677 11.788 4.030 103 1HB SER 13 2HB SER 13 3.232 12.978 6.213 104 2HB SER 13 3HB SER 13 4.936 13.465 6.234 105 HG SER 13 HG SER 13 3.477 15.001 5.257 106 H CYS 14 H CYS 14 5.339 10.633 2.682 107 HA CYS 14 HA CYS 14 7.218 12.570 1.779 108 1HB CYS 14 2HB CYS 14 8.644 11.736 3.649 109 2HB CYS 14 3HB CYS 14 8.490 10.084 3.010 110 HG CYS 14 HG CYS 14 10.817 11.070 2.385 111 H THR 15 H THR 15 7.265 12.309 -0.430 112 HA THR 15 HA THR 15 6.061 10.318 -1.845 113 HB THR 15 HB THR 15 8.523 11.850 -2.770 114 HG1 THR 15 1HG THR 15 5.870 12.813 -2.516 115 1HG2 THR 15 1HG2 THR 15 7.516 10.335 -4.450 116 2HG2 THR 15 2HG2 THR 15 5.922 11.074 -4.181 117 3HG2 THR 15 3HG2 THR 15 7.244 12.033 -4.880 118 H ASN 16 H ASN 16 9.522 10.383 -0.820 119 HA ASN 16 HA ASN 16 10.429 8.165 -2.211 120 1HB ASN 16 2HB ASN 16 11.906 9.641 -0.940 121 2HB ASN 16 3HB ASN 16 11.167 9.108 0.582 122 1HD2 ASN 16 1HD2 ASN 16 12.589 7.770 1.667 123 2HD2 ASN 16 2HD2 ASN 16 13.555 6.538 0.874 124 H CYS 17 H CYS 17 8.540 8.345 0.802 125 HA CYS 17 HA CYS 17 8.807 5.577 1.582 126 1HB CYS 17 2HB CYS 17 8.071 7.586 2.990 127 2HB CYS 17 3HB CYS 17 6.500 7.451 2.180 128 HG CYS 17 HG CYS 17 8.080 5.238 4.051 129 H ALA 18 H ALA 18 6.387 7.516 -0.213 130 HA ALA 18 HA ALA 18 4.587 5.416 -0.846 131 1HB ALA 18 1HB ALA 18 3.718 6.872 -2.555 132 2HB ALA 18 2HB ALA 18 4.154 7.879 -1.161 133 3HB ALA 18 3HB ALA 18 5.197 7.837 -2.591 134 H ALA 19 H ALA 19 7.534 6.540 -2.473 135 HA ALA 19 HA ALA 19 7.273 4.869 -4.803 136 1HB ALA 19 1HB ALA 19 9.813 5.991 -3.548 137 2HB ALA 19 2HB ALA 19 9.632 5.352 -5.189 138 3HB ALA 19 3HB ALA 19 8.767 6.826 -4.715 139 H LYS 20 H LYS 20 9.103 4.469 -1.750 140 HA LYS 20 HA LYS 20 10.103 1.877 -2.203 141 1HB LYS 20 2HB LYS 20 10.612 3.546 -0.352 142 2HB LYS 20 3HB LYS 20 9.139 3.003 0.459 143 1HG LYS 20 2HG LYS 20 10.084 0.753 0.736 144 2HG LYS 20 3HG LYS 20 11.432 1.148 -0.334 145 1HD LYS 20 2HD LYS 20 12.334 1.317 1.853 146 2HD LYS 20 3HD LYS 20 12.106 2.986 1.305 147 1HE LYS 20 2HE LYS 20 9.848 2.953 2.566 148 2HE LYS 20 3HE LYS 20 10.332 1.361 3.172 149 1HZ LYS 20 1HZ LYS 20 11.704 3.919 3.685 150 2HZ LYS 20 2HZ LYS 20 10.761 3.127 4.719 151 3HZ LYS 20 3HZ LYS 20 12.176 2.450 4.297 152 H PHE 21 H PHE 21 7.010 2.922 -0.750 153 HA PHE 21 HA PHE 21 5.883 0.402 -0.259 154 1HB PHE 21 2HB PHE 21 4.810 3.167 -0.616 155 2HB PHE 21 3HB PHE 21 3.679 1.875 -0.945 156 HD1 PHE 21 1HD PHE 21 3.595 -0.103 0.767 157 HD2 PHE 21 2HD PHE 21 4.959 3.903 1.639 158 HE1 PHE 21 1HE PHE 21 2.986 -0.408 3.138 159 HE2 PHE 21 2HE PHE 21 4.467 3.549 4.023 160 HZ PHE 21 HZ PHE 21 3.424 1.413 4.774 161 H GLU 22 H GLU 22 5.202 2.430 -3.239 162 HA GLU 22 HA GLU 22 3.550 0.428 -4.298 163 1HB GLU 22 2HB GLU 22 3.696 1.497 -6.454 164 2HB GLU 22 3HB GLU 22 3.478 2.651 -5.151 165 1HG GLU 22 2HG GLU 22 4.974 3.822 -6.342 166 2HG GLU 22 3HG GLU 22 6.100 2.912 -5.353 167 H ARG 23 H ARG 23 7.051 0.903 -4.783 168 HA ARG 23 HA ARG 23 7.426 -1.286 -6.538 169 1HB ARG 23 2HB ARG 23 9.090 0.566 -5.766 170 2HB ARG 23 3HB ARG 23 9.453 -0.513 -4.405 171 1HG ARG 23 2HG ARG 23 9.858 -2.346 -6.206 172 2HG ARG 23 3HG ARG 23 9.734 -1.030 -7.394 173 1HD ARG 23 2HD ARG 23 11.599 0.152 -6.138 174 2HD ARG 23 3HD ARG 23 11.736 -1.313 -5.126 175 HE ARG 23 HE ARG 23 11.840 -1.900 -7.962 176 1HH1 ARG 23 2HH2 ARG 23 13.807 -0.813 -5.255 177 2HH1 ARG 23 1HH2 ARG 23 15.326 -1.320 -5.930 178 1HH2 ARG 23 2HH1 ARG 23 13.832 -2.544 -8.928 179 2HH2 ARG 23 1HH1 ARG 23 15.333 -2.307 -8.097 180 H ASN 24 H ASN 24 7.536 -1.231 -2.908 181 HA ASN 24 HA ASN 24 8.152 -3.978 -2.635 182 1HB ASN 24 2HB ASN 24 7.880 -1.958 -0.841 183 2HB ASN 24 3HB ASN 24 6.339 -2.771 -0.551 184 1HD2 ASN 24 1HD2 ASN 24 8.579 -2.491 1.282 185 2HD2 ASN 24 2HD2 ASN 24 9.188 -4.104 1.596 186 H VAL 25 H VAL 25 5.016 -2.314 -2.996 187 HA VAL 25 HA VAL 25 3.397 -4.688 -2.733 188 HB VAL 25 HB VAL 25 2.792 -2.056 -4.155 189 1HG1 VAL 25 1HG1 VAL 25 0.406 -2.827 -3.709 190 2HG1 VAL 25 2HG1 VAL 25 1.275 -3.728 -4.963 191 3HG1 VAL 25 3HG1 VAL 25 1.061 -4.432 -3.346 192 1HG2 VAL 25 1HG2 VAL 25 2.303 -3.094 -1.343 193 2HG2 VAL 25 2HG2 VAL 25 3.210 -1.656 -1.779 194 3HG2 VAL 25 3HG2 VAL 25 1.467 -1.671 -2.022 195 H LYS 26 H LYS 26 4.822 -3.036 -5.615 196 HA LYS 26 HA LYS 26 3.780 -4.778 -7.565 197 1HB LYS 26 2HB LYS 26 6.130 -2.915 -7.294 198 2HB LYS 26 3HB LYS 26 5.992 -3.871 -8.745 199 1HG LYS 26 2HG LYS 26 3.856 -2.963 -9.287 200 2HG LYS 26 3HG LYS 26 3.643 -2.227 -7.684 201 1HD LYS 26 2HD LYS 26 5.320 -0.581 -8.060 202 2HD LYS 26 3HD LYS 26 5.976 -1.475 -9.430 203 1HE LYS 26 2HE LYS 26 3.786 -1.034 -10.676 204 2HE LYS 26 3HE LYS 26 3.257 -0.059 -9.289 205 1HZ LYS 26 1HZ LYS 26 5.106 1.394 -9.671 206 2HZ LYS 26 2HZ LYS 26 5.618 0.521 -10.963 207 3HZ LYS 26 3HZ LYS 26 4.170 1.318 -11.003 208 H GLU 27 H GLU 27 6.666 -5.183 -5.458 209 HA GLU 27 HA GLU 27 7.592 -7.584 -6.684 210 1HB GLU 27 2HB GLU 27 7.756 -6.628 -3.815 211 2HB GLU 27 3HB GLU 27 8.590 -8.049 -4.424 212 1HG GLU 27 2HG GLU 27 9.034 -5.551 -6.027 213 2HG GLU 27 3HG GLU 27 9.670 -5.546 -4.378 214 H ILE 28 H ILE 28 4.617 -7.104 -4.830 215 HA ILE 28 HA ILE 28 4.526 -9.846 -3.841 216 HB ILE 28 HB ILE 28 2.331 -7.879 -4.092 217 1HG1 ILE 28 2HG1 ILE 28 4.106 -6.893 -2.690 218 2HG1 ILE 28 3HG1 ILE 28 2.635 -7.197 -1.778 219 1HG2 ILE 28 1HG2 ILE 28 1.238 -9.155 -2.255 220 2HG2 ILE 28 2HG2 ILE 28 1.413 -10.066 -3.747 221 3HG2 ILE 28 3HG2 ILE 28 2.520 -10.382 -2.403 222 1HD1 ILE 28 1HD1 ILE 28 5.136 -8.946 -1.745 223 2HD1 ILE 28 2HD1 ILE 28 4.651 -7.780 -0.502 224 3HD1 ILE 28 3HD1 ILE 28 3.665 -9.222 -0.779 225 H GLU 29 H GLU 29 4.428 -11.330 -5.306 226 HA GLU 29 HA GLU 29 2.757 -11.493 -7.657 227 1HB GLU 29 2HB GLU 29 4.258 -13.487 -5.883 228 2HB GLU 29 3HB GLU 29 3.289 -13.940 -7.266 229 1HG GLU 29 2HG GLU 29 4.692 -12.461 -8.734 230 2HG GLU 29 3HG GLU 29 5.744 -12.141 -7.343 231 H GLY 30 H GLY 30 0.849 -10.681 -6.829 232 1HA GLY 30 1HA GLY 30 -1.110 -12.566 -5.870 233 2HA GLY 30 2HA GLY 30 -0.572 -11.517 -4.543 234 H VAL 31 H VAL 31 -0.078 -9.110 -6.065 235 HA VAL 31 HA VAL 31 -2.814 -8.347 -6.865 236 HB VAL 31 HB VAL 31 -1.770 -7.135 -5.006 237 1HG1 VAL 31 1HG1 VAL 31 0.618 -7.258 -5.641 238 2HG1 VAL 31 2HG1 VAL 31 0.300 -6.211 -7.046 239 3HG1 VAL 31 3HG1 VAL 31 0.073 -5.599 -5.395 240 1HG2 VAL 31 1HG2 VAL 31 -2.012 -5.441 -7.492 241 2HG2 VAL 31 2HG2 VAL 31 -3.377 -6.114 -6.556 242 3HG2 VAL 31 3HG2 VAL 31 -2.279 -4.942 -5.806 243 H THR 32 H THR 32 -2.931 -7.042 -8.856 244 HA THR 32 HA THR 32 -0.926 -7.842 -10.916 245 HB THR 32 HB THR 32 -3.859 -7.075 -11.249 246 HG1 THR 32 1HG THR 32 -2.509 -9.571 -11.262 247 1HG2 THR 32 1HG2 THR 32 -1.800 -8.146 -13.231 248 2HG2 THR 32 2HG2 THR 32 -3.539 -7.951 -13.542 249 3HG2 THR 32 3HG2 THR 32 -2.532 -6.528 -13.241 250 H GLU 33 H GLU 33 -3.237 -5.242 -9.924 251 HA GLU 33 HA GLU 33 -1.006 -3.293 -10.505 252 1HB GLU 33 2HB GLU 33 -3.938 -2.834 -11.205 253 2HB GLU 33 3HB GLU 33 -2.648 -1.626 -11.216 254 1HG GLU 33 2HG GLU 33 -1.397 -3.194 -12.843 255 2HG GLU 33 3HG GLU 33 -2.948 -4.028 -13.039 256 H ALA 34 H ALA 34 -0.582 -1.925 -8.847 257 HA ALA 34 HA ALA 34 -2.720 -1.518 -6.836 258 1HB ALA 34 1HB ALA 34 -1.009 -1.456 -5.064 259 2HB ALA 34 2HB ALA 34 -1.048 -3.053 -5.838 260 3HB ALA 34 3HB ALA 34 0.246 -1.903 -6.242 261 H ILE 35 H ILE 35 -3.115 0.641 -6.554 262 HA ILE 35 HA ILE 35 -1.071 2.551 -7.706 263 HB ILE 35 HB ILE 35 -4.078 2.914 -7.684 264 1HG1 ILE 35 2HG1 ILE 35 -3.486 1.284 -9.391 265 2HG1 ILE 35 3HG1 ILE 35 -3.952 2.821 -10.109 266 1HG2 ILE 35 1HG2 ILE 35 -1.764 4.688 -8.533 267 2HG2 ILE 35 2HG2 ILE 35 -3.424 4.923 -9.116 268 3HG2 ILE 35 3HG2 ILE 35 -3.069 5.038 -7.391 269 1HD1 ILE 35 1HD1 ILE 35 -1.111 1.744 -9.847 270 2HD1 ILE 35 2HD1 ILE 35 -2.066 1.932 -11.318 271 3HD1 ILE 35 3HD1 ILE 35 -1.514 3.370 -10.446 272 H VAL 36 H VAL 36 0.074 3.123 -5.940 273 HA VAL 36 HA VAL 36 -1.380 3.472 -3.415 274 HB VAL 36 HB VAL 36 0.483 3.155 -2.320 275 1HG1 VAL 36 1HG1 VAL 36 1.651 1.257 -3.145 276 2HG1 VAL 36 2HG1 VAL 36 0.016 1.162 -3.817 277 3HG1 VAL 36 3HG1 VAL 36 1.351 1.702 -4.839 278 1HG2 VAL 36 1HG2 VAL 36 2.111 4.255 -4.620 279 2HG2 VAL 36 2HG2 VAL 36 1.848 4.982 -3.029 280 3HG2 VAL 36 3HG2 VAL 36 2.820 3.515 -3.155 281 H ASN 37 H ASN 37 -1.530 5.394 -2.277 282 HA ASN 37 HA ASN 37 -0.102 7.789 -3.315 283 1HB ASN 37 2HB ASN 37 -3.044 7.751 -2.555 284 2HB ASN 37 3HB ASN 37 -2.096 9.140 -3.100 285 1HD2 ASN 37 1HD2 ASN 37 -3.373 5.932 -4.113 286 2HD2 ASN 37 2HD2 ASN 37 -3.533 6.376 -5.804 287 H PHE 38 H PHE 38 0.895 6.303 -1.371 288 HA PHE 38 HA PHE 38 0.057 6.850 1.308 289 1HB PHE 38 2HB PHE 38 2.756 6.234 0.062 290 2HB PHE 38 3HB PHE 38 2.547 6.464 1.779 291 HD1 PHE 38 1HD PHE 38 2.009 4.114 -0.950 292 HD2 PHE 38 2HD PHE 38 1.645 4.836 3.234 293 HE1 PHE 38 1HE PHE 38 1.228 1.772 -0.621 294 HE2 PHE 38 2HE PHE 38 0.862 2.498 3.571 295 HZ PHE 38 HZ PHE 38 0.561 1.002 1.632 296 H GLY 39 H GLY 39 0.028 8.773 2.343 297 1HA GLY 39 1HA GLY 39 1.940 10.567 2.806 298 2HA GLY 39 2HA GLY 39 1.382 11.143 1.223 299 H ALA 40 H ALA 40 -1.167 10.979 1.103 300 HA ALA 40 HA ALA 40 -2.671 11.504 3.518 301 1HB ALA 40 1HB ALA 40 -2.108 13.850 1.641 302 2HB ALA 40 2HB ALA 40 -3.309 13.838 2.951 303 3HB ALA 40 3HB ALA 40 -1.586 13.715 3.334 304 H SER 41 H SER 41 -3.117 9.500 1.933 305 HA SER 41 HA SER 41 -5.625 10.066 0.677 306 1HB SER 41 2HB SER 41 -3.219 10.016 -1.066 307 2HB SER 41 3HB SER 41 -4.588 9.072 -1.646 308 HG SER 41 HG SER 41 -4.771 11.737 -0.768 309 H LYS 42 H LYS 42 -3.947 7.422 -0.783 310 HA LYS 42 HA LYS 42 -5.034 5.438 0.956 311 1HB LYS 42 2HB LYS 42 -6.865 4.710 -0.571 312 2HB LYS 42 3HB LYS 42 -7.215 6.286 0.108 313 1HG LYS 42 2HG LYS 42 -5.802 6.231 -2.555 314 2HG LYS 42 3HG LYS 42 -7.468 5.663 -2.518 315 1HD LYS 42 2HD LYS 42 -8.307 7.724 -1.646 316 2HD LYS 42 3HD LYS 42 -6.686 8.352 -1.357 317 1HE LYS 42 2HE LYS 42 -6.258 8.141 -3.884 318 2HE LYS 42 3HE LYS 42 -7.981 7.779 -4.062 319 1HZ LYS 42 1HZ LYS 42 -7.508 10.089 -4.428 320 2HZ LYS 42 2HZ LYS 42 -8.436 9.949 -3.082 321 3HZ LYS 42 3HZ LYS 42 -6.821 10.265 -2.943 322 H ILE 43 H ILE 43 -5.128 3.321 -0.127 323 HA ILE 43 HA ILE 43 -3.126 3.105 -2.313 324 HB ILE 43 HB ILE 43 -1.955 2.875 -0.257 325 1HG1 ILE 43 2HG1 ILE 43 -1.076 1.500 -1.985 326 2HG1 ILE 43 3HG1 ILE 43 -0.887 0.739 -0.417 327 1HG2 ILE 43 1HG2 ILE 43 -3.669 2.302 1.314 328 2HG2 ILE 43 2HG2 ILE 43 -3.892 0.708 0.570 329 3HG2 ILE 43 3HG2 ILE 43 -2.361 1.126 1.365 330 1HD1 ILE 43 1HD1 ILE 43 -1.433 -0.985 -1.917 331 2HD1 ILE 43 2HD1 ILE 43 -2.918 -0.704 -0.984 332 3HD1 ILE 43 3HD1 ILE 43 -2.748 -0.066 -2.631 333 H THR 44 H THR 44 -4.077 2.247 -3.994 334 HA THR 44 HA THR 44 -6.399 0.447 -3.671 335 HB THR 44 HB THR 44 -5.131 1.771 -6.079 336 HG1 THR 44 1HG THR 44 -7.402 2.514 -5.999 337 1HG2 THR 44 1HG2 THR 44 -7.578 -0.042 -5.944 338 2HG2 THR 44 2HG2 THR 44 -7.132 0.965 -7.336 339 3HG2 THR 44 3HG2 THR 44 -6.087 -0.360 -6.858 340 H VAL 45 H VAL 45 -6.430 -1.571 -4.389 341 HA VAL 45 HA VAL 45 -3.982 -2.912 -5.398 342 HB VAL 45 HB VAL 45 -5.639 -3.486 -2.942 343 1HG1 VAL 45 1HG1 VAL 45 -4.171 -5.673 -4.460 344 2HG1 VAL 45 2HG1 VAL 45 -4.785 -5.797 -2.807 345 3HG1 VAL 45 3HG1 VAL 45 -5.920 -5.593 -4.143 346 1HG2 VAL 45 1HG2 VAL 45 -3.448 -3.970 -1.943 347 2HG2 VAL 45 2HG2 VAL 45 -2.663 -3.781 -3.525 348 3HG2 VAL 45 3HG2 VAL 45 -3.442 -2.392 -2.744 349 H THR 46 H THR 46 -4.498 -4.129 -7.183 350 HA THR 46 HA THR 46 -7.219 -5.215 -7.481 351 HB THR 46 HB THR 46 -5.739 -3.514 -9.561 352 HG1 THR 46 1HG THR 46 -7.432 -3.224 -7.602 353 1HG2 THR 46 1HG2 THR 46 -8.378 -5.067 -9.746 354 2HG2 THR 46 2HG2 THR 46 -7.814 -3.859 -10.921 355 3HG2 THR 46 3HG2 THR 46 -6.917 -5.373 -10.713 356 H GLY 47 H GLY 47 -7.059 -7.268 -7.944 357 1HA GLY 47 1HA GLY 47 -5.413 -8.322 -9.884 358 2HA GLY 47 2HA GLY 47 -4.370 -8.359 -8.490 359 H GLU 48 H GLU 48 -4.689 -9.798 -6.772 360 HA GLU 48 HA GLU 48 -7.251 -10.833 -6.127 361 1HB GLU 48 2HB GLU 48 -6.461 -12.384 -8.101 362 2HB GLU 48 3HB GLU 48 -5.344 -13.063 -6.925 363 1HG GLU 48 2HG GLU 48 -7.288 -13.653 -5.475 364 2HG GLU 48 3HG GLU 48 -8.382 -12.849 -6.620 365 H ALA 49 H ALA 49 -5.738 -9.268 -4.569 366 HA ALA 49 HA ALA 49 -5.099 -11.055 -2.349 367 1HB ALA 49 1HB ALA 49 -2.862 -10.081 -1.957 368 2HB ALA 49 2HB ALA 49 -2.924 -10.930 -3.507 369 3HB ALA 49 3HB ALA 49 -2.992 -9.152 -3.467 370 H SER 50 H SER 50 -4.414 -9.620 -0.400 371 HA SER 50 HA SER 50 -6.286 -7.315 -0.246 372 1HB SER 50 2HB SER 50 -5.483 -9.409 1.835 373 2HB SER 50 3HB SER 50 -6.523 -8.018 2.140 374 HG SER 50 HG SER 50 -7.769 -8.991 0.232 375 H ILE 51 H ILE 51 -5.718 -5.669 1.395 376 HA ILE 51 HA ILE 51 -3.213 -4.705 1.097 377 HB ILE 51 HB ILE 51 -5.285 -3.493 2.110 378 1HG1 ILE 51 2HG1 ILE 51 -3.999 -1.946 3.345 379 2HG1 ILE 51 3HG1 ILE 51 -2.564 -2.968 3.173 380 1HG2 ILE 51 1HG2 ILE 51 -4.045 -4.320 4.751 381 2HG2 ILE 51 2HG2 ILE 51 -5.501 -3.364 4.480 382 3HG2 ILE 51 3HG2 ILE 51 -5.516 -5.092 4.092 383 1HD1 ILE 51 1HD1 ILE 51 -2.539 -1.198 1.485 384 2HD1 ILE 51 2HD1 ILE 51 -2.863 -2.689 0.613 385 3HD1 ILE 51 3HD1 ILE 51 -4.196 -1.592 0.985 386 H GLN 52 H GLN 52 -4.131 -7.059 3.534 387 HA GLN 52 HA GLN 52 -2.252 -6.991 5.465 388 1HB GLN 52 2HB GLN 52 -3.102 -9.364 3.756 389 2HB GLN 52 3HB GLN 52 -2.152 -9.542 5.239 390 1HG GLN 52 2HG GLN 52 -3.885 -8.674 6.616 391 2HG GLN 52 3HG GLN 52 -4.812 -8.058 5.246 392 1HE2 GLN 52 1HE2 GLN 52 -6.507 -9.344 4.538 393 2HE2 GLN 52 2HE2 GLN 52 -6.592 -11.069 4.827 394 H GLN 53 H GLN 53 -1.567 -8.092 2.142 395 HA GLN 53 HA GLN 53 1.195 -8.794 2.480 396 1HB GLN 53 2HB GLN 53 -0.314 -7.688 0.080 397 2HB GLN 53 3HB GLN 53 1.266 -8.459 0.005 398 1HG GLN 53 2HG GLN 53 -0.884 -10.096 1.338 399 2HG GLN 53 3HG GLN 53 -1.168 -9.692 -0.354 400 1HE2 GLN 53 1HE2 GLN 53 -0.968 -11.898 -1.019 401 2HE2 GLN 53 2HE2 GLN 53 0.608 -12.660 -1.062 402 H VAL 54 H VAL 54 -0.379 -5.753 1.541 403 HA VAL 54 HA VAL 54 2.030 -4.240 1.017 404 HB VAL 54 HB VAL 54 -0.837 -3.337 1.516 405 1HG1 VAL 54 1HG1 VAL 54 1.590 -1.901 0.435 406 2HG1 VAL 54 2HG1 VAL 54 -0.073 -1.368 0.102 407 3HG1 VAL 54 3HG1 VAL 54 0.520 -1.450 1.762 408 1HG2 VAL 54 1HG2 VAL 54 0.518 -4.301 -1.012 409 2HG2 VAL 54 2HG2 VAL 54 -1.010 -4.824 -0.305 410 3HG2 VAL 54 3HG2 VAL 54 -0.898 -3.228 -1.046 411 H GLU 55 H GLU 55 -0.305 -4.540 3.733 412 HA GLU 55 HA GLU 55 0.781 -2.508 5.322 413 1HB GLU 55 2HB GLU 55 -1.479 -3.670 5.463 414 2HB GLU 55 3HB GLU 55 -0.685 -4.985 6.335 415 1HG GLU 55 2HG GLU 55 -0.101 -3.542 8.143 416 2HG GLU 55 3HG GLU 55 -0.353 -2.085 7.174 417 H GLN 56 H GLN 56 1.367 -6.044 5.134 418 HA GLN 56 HA GLN 56 3.379 -6.279 7.064 419 1HB GLN 56 2HB GLN 56 2.271 -8.116 5.673 420 2HB GLN 56 3HB GLN 56 3.463 -7.769 4.413 421 1HG GLN 56 2HG GLN 56 4.020 -8.630 7.287 422 2HG GLN 56 3HG GLN 56 4.092 -9.664 5.856 423 1HE2 GLN 56 1HE2 GLN 56 6.056 -7.978 7.969 424 2HE2 GLN 56 2HE2 GLN 56 7.409 -7.710 6.887 425 H ALA 57 H ALA 57 3.847 -5.501 3.518 426 HA ALA 57 HA ALA 57 6.583 -4.834 3.609 427 1HB ALA 57 1HB ALA 57 5.427 -4.877 1.527 428 2HB ALA 57 2HB ALA 57 4.372 -3.532 1.993 429 3HB ALA 57 3HB ALA 57 6.096 -3.251 1.798 430 H GLY 58 H GLY 58 3.780 -2.691 4.305 431 1HA GLY 58 1HA GLY 58 5.173 -0.349 4.880 432 2HA GLY 58 2HA GLY 58 3.534 -0.787 5.451 433 H ALA 59 H ALA 59 4.923 -3.212 6.881 434 HA ALA 59 HA ALA 59 5.362 -2.180 9.441 435 1HB ALA 59 1HB ALA 59 5.169 -4.601 8.866 436 2HB ALA 59 2HB ALA 59 6.824 -4.535 8.198 437 3HB ALA 59 3HB ALA 59 6.547 -4.227 9.921 438 H PHE 60 H PHE 60 7.509 -2.023 6.590 439 HA PHE 60 HA PHE 60 9.915 -1.460 7.895 440 1HB PHE 60 2HB PHE 60 10.591 -0.220 5.918 441 2HB PHE 60 3HB PHE 60 9.928 -1.812 5.591 442 HD1 PHE 60 1HD PHE 60 8.754 1.758 5.734 443 HD2 PHE 60 2HD PHE 60 8.755 -1.928 3.554 444 HE1 PHE 60 1HE PHE 60 7.387 2.822 3.989 445 HE2 PHE 60 2HE PHE 60 7.386 -0.842 1.767 446 HZ PHE 60 HZ PHE 60 6.815 1.552 1.936 447 H GLU 61 H GLU 61 7.177 0.772 7.408 448 HA GLU 61 HA GLU 61 8.573 2.760 9.182 449 1HB GLU 61 2HB GLU 61 7.061 3.188 6.620 450 2HB GLU 61 3HB GLU 61 6.665 4.244 7.960 451 1HG GLU 61 2HG GLU 61 8.239 5.513 7.005 452 2HG GLU 61 3HG GLU 61 9.228 4.676 8.194 453 H HIS 62 H HIS 62 6.084 0.512 9.055 454 HA HIS 62 HA HIS 62 4.653 -0.133 10.663 455 1HB HIS 62 2HB HIS 62 5.186 2.349 12.317 456 2HB HIS 62 3HB HIS 62 4.575 0.786 12.836 457 HD1 HIS 62 1HD HIS 62 7.216 -0.693 11.189 458 HD2 HIS 62 2HD HIS 62 7.118 2.300 14.147 459 HE1 HIS 62 1HE HIS 62 9.467 -0.748 12.349 460 H LEU 63 H LEU 63 3.599 0.936 8.409 461 HA LEU 63 HA LEU 63 1.824 3.172 9.078 462 1HB LEU 63 2HB LEU 63 2.144 1.328 6.695 463 2HB LEU 63 3HB LEU 63 0.752 2.393 6.815 464 HG LEU 63 HG LEU 63 2.432 3.423 5.481 465 1HD1 LEU 63 1HD1 LEU 63 2.320 5.545 6.346 466 2HD1 LEU 63 2HD1 LEU 63 0.924 4.759 7.084 467 3HD1 LEU 63 3HD1 LEU 63 2.394 5.044 8.038 468 1HD2 LEU 63 1HD2 LEU 63 4.493 2.430 6.552 469 2HD2 LEU 63 2HD2 LEU 63 4.584 4.183 6.288 470 3HD2 LEU 63 3HD2 LEU 63 4.269 3.555 7.909 471 H LYS 64 H LYS 64 -0.587 3.001 8.688 472 HA LYS 64 HA LYS 64 -1.720 0.410 9.576 473 1HB LYS 64 2HB LYS 64 -3.396 1.699 10.923 474 2HB LYS 64 3HB LYS 64 -1.761 1.610 11.567 475 1HG LYS 64 2HG LYS 64 -2.391 3.727 12.083 476 2HG LYS 64 3HG LYS 64 -1.366 3.983 10.692 477 1HD LYS 64 2HD LYS 64 -3.059 4.790 9.398 478 2HD LYS 64 3HD LYS 64 -4.273 3.673 10.015 479 1HE LYS 64 2HE LYS 64 -3.197 6.105 11.536 480 2HE LYS 64 3HE LYS 64 -4.656 6.121 10.534 481 1HZ LYS 64 1HZ LYS 64 -4.308 4.391 12.881 482 2HZ LYS 64 2HZ LYS 64 -5.167 5.794 12.839 483 3HZ LYS 64 3HZ LYS 64 -5.651 4.510 11.936 484 H ILE 65 H ILE 65 -3.066 -0.269 7.983 485 HA ILE 65 HA ILE 65 -4.199 1.823 6.197 486 HB ILE 65 HB ILE 65 -3.577 -0.916 5.207 487 1HG1 ILE 65 2HG1 ILE 65 -1.569 1.277 5.616 488 2HG1 ILE 65 3HG1 ILE 65 -1.517 -0.467 6.014 489 1HG2 ILE 65 1HG2 ILE 65 -3.639 0.243 3.075 490 2HG2 ILE 65 2HG2 ILE 65 -5.047 0.734 4.019 491 3HG2 ILE 65 3HG2 ILE 65 -3.682 1.821 3.873 492 1HD1 ILE 65 1HD1 ILE 65 -0.016 -0.031 4.200 493 2HD1 ILE 65 2HD1 ILE 65 -1.374 -1.006 3.616 494 3HD1 ILE 65 3HD1 ILE 65 -1.298 0.741 3.259 495 H ILE 66 H ILE 66 -6.322 1.988 6.508 496 HA ILE 66 HA ILE 66 -7.756 -0.273 7.731 497 HB ILE 66 HB ILE 66 -8.437 2.655 7.412 498 1HG1 ILE 66 2HG1 ILE 66 -7.850 0.999 9.914 499 2HG1 ILE 66 3HG1 ILE 66 -6.610 1.925 9.067 500 1HG2 ILE 66 1HG2 ILE 66 -10.530 1.320 7.359 501 2HG2 ILE 66 2HG2 ILE 66 -10.015 0.445 8.816 502 3HG2 ILE 66 3HG2 ILE 66 -10.391 2.176 8.883 503 1HD1 ILE 66 1HD1 ILE 66 -7.385 3.215 10.925 504 2HD1 ILE 66 2HD1 ILE 66 -7.879 4.013 9.419 505 3HD1 ILE 66 3HD1 ILE 66 -9.067 3.115 10.394 506 HA PRO 67 HA PRO 67 -9.915 -0.887 3.717 507 1HB PRO 67 2HB PRO 67 -11.726 -2.758 4.532 508 2HB PRO 67 3HB PRO 67 -10.021 -3.154 4.221 509 1HG PRO 67 2HG PRO 67 -11.326 -2.612 6.882 510 2HG PRO 67 3HG PRO 67 -10.195 -3.929 6.457 511 1HD PRO 67 2HD PRO 67 -9.419 -1.649 7.719 512 2HD PRO 67 3HD PRO 67 -8.335 -2.472 6.559 513 H GLU 68 H GLU 68 -10.627 1.271 3.809 514 HA GLU 68 HA GLU 68 -12.843 2.299 5.197 515 1HB GLU 68 2HB GLU 68 -11.351 2.931 2.756 516 2HB GLU 68 3HB GLU 68 -13.068 3.177 2.472 517 1HG GLU 68 2HG GLU 68 -11.654 4.367 4.885 518 2HG GLU 68 3HG GLU 68 -11.763 5.156 3.283 519 H LYS 69 H LYS 69 -15.069 2.580 4.460 520 HA LYS 69 HA LYS 69 -16.153 0.455 2.744 521 1HB LYS 69 2HB LYS 69 -17.498 -0.670 4.411 522 2HB LYS 69 3HB LYS 69 -15.791 -0.778 4.804 523 1HG LYS 69 2HG LYS 69 -16.744 -0.390 6.877 524 2HG LYS 69 3HG LYS 69 -16.164 1.207 6.407 525 1HD LYS 69 2HD LYS 69 -18.251 2.032 6.666 526 2HD LYS 69 3HD LYS 69 -18.803 0.980 5.361 527 1HE LYS 69 2HE LYS 69 -19.178 -0.867 6.996 528 2HE LYS 69 3HE LYS 69 -18.833 0.282 8.307 529 1HZ LYS 69 1HZ LYS 69 -20.930 0.629 6.253 530 2HZ LYS 69 2HZ LYS 69 -21.204 0.082 7.787 531 3HZ LYS 69 3HZ LYS 69 -20.665 1.615 7.537 532 H GLU 70 H GLU 70 -17.903 1.227 1.688 533 HA GLU 70 HA GLU 70 -18.835 3.866 2.109 534 1HB GLU 70 2HB GLU 70 -19.809 1.493 0.496 535 2HB GLU 70 3HB GLU 70 -20.836 2.920 0.663 536 1HG GLU 70 2HG GLU 70 -19.124 4.379 -0.232 537 2HG GLU 70 3HG GLU 70 -17.953 3.050 -0.315 538 H ALA 71 H ALA 71 -20.802 4.714 2.952 539 HA ALA 71 HA ALA 71 -22.672 3.234 4.469 540 1HB ALA 71 1HB ALA 71 -22.010 4.185 6.668 541 2HB ALA 71 2HB ALA 71 -20.713 3.131 6.058 542 3HB ALA 71 3HB ALA 71 -20.551 4.891 5.938 Start of MODEL 3 1 1H MET 1 H1 MET 1 -12.676 -14.812 -10.633 2 2H MET 1 H2 MET 1 -14.308 -14.844 -10.923 3 3H MET 1 H3 MET 1 -13.439 -13.444 -11.129 4 HA MET 1 HA MET 1 -14.633 -13.297 -9.078 5 1HB MET 1 2HB MET 1 -13.456 -16.045 -8.784 6 2HB MET 1 3HB MET 1 -13.492 -15.047 -7.329 7 1HG MET 1 2HG MET 1 -15.849 -14.706 -7.468 8 2HG MET 1 3HG MET 1 -15.960 -15.580 -9.008 9 1HE MET 1 1HE MET 1 -18.007 -16.841 -7.707 10 2HE MET 1 2HE MET 1 -17.750 -17.817 -6.240 11 3HE MET 1 3HE MET 1 -17.607 -16.046 -6.161 12 H ALA 2 H ALA 2 -13.436 -11.341 -9.205 13 HA ALA 2 HA ALA 2 -11.260 -11.004 -7.484 14 1HB ALA 2 1HB ALA 2 -9.568 -10.305 -9.205 15 2HB ALA 2 2HB ALA 2 -9.850 -12.047 -9.238 16 3HB ALA 2 3HB ALA 2 -10.589 -11.003 -10.475 17 H GLU 3 H GLU 3 -10.838 -8.672 -7.365 18 HA GLU 3 HA GLU 3 -12.181 -6.805 -9.126 19 1HB GLU 3 2HB GLU 3 -13.472 -5.855 -7.157 20 2HB GLU 3 3HB GLU 3 -14.076 -7.385 -7.797 21 1HG GLU 3 2HG GLU 3 -12.152 -7.648 -5.517 22 2HG GLU 3 3HG GLU 3 -13.697 -6.883 -5.155 23 H LYS 4 H LYS 4 -11.827 -4.550 -8.118 24 HA LYS 4 HA LYS 4 -9.054 -4.378 -7.092 25 1HB LYS 4 2HB LYS 4 -9.145 -2.057 -7.607 26 2HB LYS 4 3HB LYS 4 -9.755 -2.953 -8.994 27 1HG LYS 4 2HG LYS 4 -11.514 -1.570 -8.988 28 2HG LYS 4 3HG LYS 4 -12.101 -2.402 -7.543 29 1HD LYS 4 2HD LYS 4 -10.766 -0.788 -6.134 30 2HD LYS 4 3HD LYS 4 -10.259 0.034 -7.627 31 1HE LYS 4 2HE LYS 4 -12.705 0.444 -8.156 32 2HE LYS 4 3HE LYS 4 -13.122 -0.251 -6.581 33 1HZ LYS 4 1HZ LYS 4 -11.466 2.148 -7.026 34 2HZ LYS 4 2HZ LYS 4 -13.022 2.130 -6.499 35 3HZ LYS 4 3HZ LYS 4 -11.831 1.509 -5.553 36 H THR 5 H THR 5 -8.641 -2.908 -5.157 37 HA THR 5 HA THR 5 -10.949 -2.514 -3.385 38 HB THR 5 HB THR 5 -8.590 -4.307 -2.551 39 HG1 THR 5 1HG THR 5 -11.053 -4.578 -3.604 40 1HG2 THR 5 1HG2 THR 5 -11.156 -3.512 -1.061 41 2HG2 THR 5 2HG2 THR 5 -9.916 -4.641 -0.489 42 3HG2 THR 5 3HG2 THR 5 -9.537 -2.916 -0.644 43 H VAL 6 H VAL 6 -10.499 -0.866 -1.913 44 HA VAL 6 HA VAL 6 -7.790 0.001 -1.921 45 HB VAL 6 HB VAL 6 -8.694 1.259 -3.683 46 1HG1 VAL 6 1HG1 VAL 6 -10.671 2.643 -3.663 47 2HG1 VAL 6 2HG1 VAL 6 -11.039 0.928 -3.460 48 3HG1 VAL 6 3HG1 VAL 6 -11.104 2.018 -2.047 49 1HG2 VAL 6 1HG2 VAL 6 -7.402 2.721 -2.073 50 2HG2 VAL 6 2HG2 VAL 6 -8.599 3.620 -3.010 51 3HG2 VAL 6 3HG2 VAL 6 -8.942 3.186 -1.321 52 H TYR 7 H TYR 7 -7.057 1.093 -0.154 53 HA TYR 7 HA TYR 7 -8.833 0.954 2.256 54 1HB TYR 7 2HB TYR 7 -5.910 0.148 2.046 55 2HB TYR 7 3HB TYR 7 -6.985 0.061 3.453 56 HD1 TYR 7 HD1 TYR 7 -7.617 -2.043 4.087 57 HD2 TYR 7 HD2 TYR 7 -6.525 -1.364 -0.009 58 HE1 TYR 7 HE1 TYR 7 -8.034 -4.418 3.592 59 HE2 TYR 7 HE2 TYR 7 -6.857 -3.771 -0.480 60 HH TYR 7 HH TYR 7 -8.227 -6.041 1.856 61 H ARG 8 H ARG 8 -8.235 2.516 3.922 62 HA ARG 8 HA ARG 8 -6.933 4.881 2.776 63 1HB ARG 8 2HB ARG 8 -9.208 4.725 4.124 64 2HB ARG 8 3HB ARG 8 -8.156 4.698 5.549 65 1HG ARG 8 2HG ARG 8 -7.024 6.773 4.604 66 2HG ARG 8 3HG ARG 8 -8.258 6.765 3.325 67 1HD ARG 8 2HD ARG 8 -8.748 7.008 6.317 68 2HD ARG 8 3HD ARG 8 -8.841 8.341 5.145 69 HE ARG 8 HE ARG 8 -10.607 6.512 4.071 70 1HH1 ARG 8 2HH2 ARG 8 -10.421 8.000 7.261 71 2HH1 ARG 8 1HH2 ARG 8 -12.118 7.799 7.595 72 1HH2 ARG 8 2HH1 ARG 8 -12.641 6.263 4.388 73 2HH2 ARG 8 1HH1 ARG 8 -13.507 6.727 5.859 74 H VAL 9 H VAL 9 -4.860 5.393 3.290 75 HA VAL 9 HA VAL 9 -3.500 3.956 5.529 76 HB VAL 9 HB VAL 9 -2.467 3.155 3.580 77 1HG1 VAL 9 1HG1 VAL 9 -3.420 4.672 1.890 78 2HG1 VAL 9 2HG1 VAL 9 -2.379 5.992 2.455 79 3HG1 VAL 9 3HG1 VAL 9 -1.692 4.533 1.710 80 1HG2 VAL 9 1HG2 VAL 9 -0.970 4.160 5.385 81 2HG2 VAL 9 2HG2 VAL 9 -0.232 3.942 3.807 82 3HG2 VAL 9 3HG2 VAL 9 -0.759 5.560 4.300 83 H ASP 10 H ASP 10 -2.367 5.190 6.976 84 HA ASP 10 HA ASP 10 -2.084 8.088 6.490 85 1HB ASP 10 2HB ASP 10 -3.741 6.777 8.675 86 2HB ASP 10 3HB ASP 10 -2.809 8.228 9.049 87 H GLY 11 H GLY 11 -0.504 8.987 7.895 88 1HA GLY 11 1HA GLY 11 1.110 8.618 9.708 89 2HA GLY 11 2HA GLY 11 1.470 7.024 9.039 90 H LEU 12 H LEU 12 2.264 7.028 6.691 91 HA LEU 12 HA LEU 12 4.528 8.846 6.646 92 1HB LEU 12 2HB LEU 12 5.432 7.504 4.917 93 2HB LEU 12 3HB LEU 12 4.696 6.451 6.109 94 HG LEU 12 HG LEU 12 2.649 6.320 4.560 95 1HD1 LEU 12 1HD1 LEU 12 3.347 6.560 2.093 96 2HD1 LEU 12 2HD1 LEU 12 2.907 8.035 2.937 97 3HD1 LEU 12 3HD1 LEU 12 4.623 7.645 2.650 98 1HD2 LEU 12 1HD2 LEU 12 5.266 5.265 3.416 99 2HD2 LEU 12 2HD2 LEU 12 4.461 4.574 4.827 100 3HD2 LEU 12 3HD2 LEU 12 3.635 4.566 3.261 101 H SER 13 H SER 13 5.168 9.552 4.292 102 HA SER 13 HA SER 13 3.090 10.550 2.582 103 1HB SER 13 2HB SER 13 2.859 12.204 4.435 104 2HB SER 13 3HB SER 13 4.560 12.664 4.219 105 HG SER 13 HG SER 13 3.073 14.022 3.075 106 H CYS 14 H CYS 14 6.468 10.907 3.677 107 HA CYS 14 HA CYS 14 7.554 12.275 1.610 108 1HB CYS 14 2HB CYS 14 8.753 11.810 3.643 109 2HB CYS 14 3HB CYS 14 8.846 10.071 3.272 110 HG CYS 14 HG CYS 14 10.326 10.164 1.286 111 H THR 15 H THR 15 7.948 12.003 -0.504 112 HA THR 15 HA THR 15 7.022 10.085 -2.092 113 HB THR 15 HB THR 15 9.596 11.610 -2.639 114 HG1 THR 15 1HG THR 15 6.921 12.551 -2.688 115 1HG2 THR 15 1HG2 THR 15 8.610 11.856 -4.898 116 2HG2 THR 15 2HG2 THR 15 8.839 10.147 -4.485 117 3HG2 THR 15 3HG2 THR 15 7.217 10.866 -4.413 118 H ASN 16 H ASN 16 10.386 10.082 -0.796 119 HA ASN 16 HA ASN 16 11.330 7.823 -2.067 120 1HB ASN 16 2HB ASN 16 12.542 9.464 -0.560 121 2HB ASN 16 3HB ASN 16 11.957 8.533 0.829 122 1HD2 ASN 16 1HD2 ASN 16 14.747 9.043 -0.215 123 2HD2 ASN 16 2HD2 ASN 16 15.416 7.444 -0.471 124 H CYS 17 H CYS 17 9.368 8.029 0.922 125 HA CYS 17 HA CYS 17 9.452 5.188 1.529 126 1HB CYS 17 2HB CYS 17 8.467 7.629 2.797 127 2HB CYS 17 3HB CYS 17 7.166 6.436 2.712 128 HG CYS 17 HG CYS 17 8.326 6.227 5.089 129 H ALA 18 H ALA 18 7.208 7.476 -0.053 130 HA ALA 18 HA ALA 18 5.118 5.684 -0.602 131 1HB ALA 18 1HB ALA 18 4.550 7.185 -2.495 132 2HB ALA 18 2HB ALA 18 4.937 8.106 -1.019 133 3HB ALA 18 3HB ALA 18 6.106 7.979 -2.350 134 H ALA 19 H ALA 19 8.021 6.399 -2.513 135 HA ALA 19 HA ALA 19 7.534 4.706 -4.737 136 1HB ALA 19 1HB ALA 19 9.920 4.914 -5.184 137 2HB ALA 19 2HB ALA 19 9.203 6.480 -4.760 138 3HB ALA 19 3HB ALA 19 10.192 5.607 -3.572 139 H LYS 20 H LYS 20 9.525 4.164 -1.779 140 HA LYS 20 HA LYS 20 10.176 1.473 -2.210 141 1HB LYS 20 2HB LYS 20 10.996 2.918 -0.292 142 2HB LYS 20 3HB LYS 20 9.392 2.828 0.422 143 1HG LYS 20 2HG LYS 20 10.458 1.213 1.654 144 2HG LYS 20 3HG LYS 20 9.715 0.230 0.408 145 1HD LYS 20 2HD LYS 20 11.855 -0.628 0.474 146 2HD LYS 20 3HD LYS 20 11.978 0.511 -0.878 147 1HE LYS 20 2HE LYS 20 12.893 2.240 0.753 148 2HE LYS 20 3HE LYS 20 12.793 1.033 2.041 149 1HZ LYS 20 1HZ LYS 20 14.987 1.175 1.175 150 2HZ LYS 20 2HZ LYS 20 14.371 -0.307 0.816 151 3HZ LYS 20 3HZ LYS 20 14.486 0.849 -0.356 152 H PHE 21 H PHE 21 7.223 2.798 -0.623 153 HA PHE 21 HA PHE 21 5.982 0.329 -0.170 154 1HB PHE 21 2HB PHE 21 5.203 3.128 -0.114 155 2HB PHE 21 3HB PHE 21 3.949 2.177 -0.873 156 HD1 PHE 21 1HD PHE 21 3.118 0.031 0.317 157 HD2 PHE 21 2HD PHE 21 5.511 3.043 2.258 158 HE1 PHE 21 1HE PHE 21 2.168 -0.615 2.530 159 HE2 PHE 21 2HE PHE 21 4.660 2.282 4.452 160 HZ PHE 21 HZ PHE 21 2.755 0.673 4.549 161 H GLU 22 H GLU 22 5.291 2.496 -3.043 162 HA GLU 22 HA GLU 22 3.443 0.635 -4.095 163 1HB GLU 22 2HB GLU 22 3.613 1.790 -6.241 164 2HB GLU 22 3HB GLU 22 3.433 2.878 -4.879 165 1HG GLU 22 2HG GLU 22 4.921 4.011 -6.191 166 2HG GLU 22 3HG GLU 22 5.934 3.262 -4.962 167 H ARG 23 H ARG 23 6.947 1.025 -4.726 168 HA ARG 23 HA ARG 23 7.237 -1.077 -6.595 169 1HB ARG 23 2HB ARG 23 9.038 0.591 -5.990 170 2HB ARG 23 3HB ARG 23 9.121 -0.102 -4.367 171 1HG ARG 23 2HG ARG 23 9.770 -2.286 -5.271 172 2HG ARG 23 3HG ARG 23 9.703 -1.662 -6.927 173 1HD ARG 23 2HD ARG 23 11.636 -0.331 -6.584 174 2HD ARG 23 3HD ARG 23 11.464 -0.391 -4.805 175 HE ARG 23 HE ARG 23 11.657 -3.061 -5.650 176 1HH1 ARG 23 2HH2 ARG 23 13.825 -0.303 -5.659 177 2HH1 ARG 23 1HH2 ARG 23 15.252 -1.250 -5.339 178 1HH2 ARG 23 2HH1 ARG 23 13.231 -4.255 -5.215 179 2HH2 ARG 23 1HH1 ARG 23 14.916 -3.725 -5.053 180 H ASN 24 H ASN 24 7.549 -1.190 -2.972 181 HA ASN 24 HA ASN 24 8.037 -3.941 -2.695 182 1HB ASN 24 2HB ASN 24 6.645 -1.897 -0.936 183 2HB ASN 24 3HB ASN 24 6.441 -3.605 -0.599 184 1HD2 ASN 24 1HD2 ASN 24 7.425 -3.201 1.453 185 2HD2 ASN 24 2HD2 ASN 24 9.155 -3.264 1.566 186 H VAL 25 H VAL 25 4.868 -2.252 -3.045 187 HA VAL 25 HA VAL 25 3.354 -4.686 -2.904 188 HB VAL 25 HB VAL 25 2.528 -2.121 -4.330 189 1HG1 VAL 25 1HG1 VAL 25 1.053 -4.603 -3.349 190 2HG1 VAL 25 2HG1 VAL 25 0.234 -3.079 -3.714 191 3HG1 VAL 25 3HG1 VAL 25 1.102 -3.947 -4.993 192 1HG2 VAL 25 1HG2 VAL 25 2.335 -3.039 -1.443 193 2HG2 VAL 25 2HG2 VAL 25 2.981 -1.514 -2.051 194 3HG2 VAL 25 3HG2 VAL 25 1.251 -1.797 -2.132 195 H LYS 26 H LYS 26 4.700 -2.891 -5.700 196 HA LYS 26 HA LYS 26 3.746 -4.650 -7.726 197 1HB LYS 26 2HB LYS 26 5.958 -2.616 -7.483 198 2HB LYS 26 3HB LYS 26 6.064 -3.757 -8.784 199 1HG LYS 26 2HG LYS 26 4.866 -2.353 -9.971 200 2HG LYS 26 3HG LYS 26 3.465 -2.952 -9.075 201 1HD LYS 26 2HD LYS 26 3.640 -1.075 -7.502 202 2HD LYS 26 3HD LYS 26 5.150 -0.573 -8.263 203 1HE LYS 26 2HE LYS 26 3.537 0.940 -9.091 204 2HE LYS 26 3HE LYS 26 3.904 -0.164 -10.413 205 1HZ LYS 26 1HZ LYS 26 1.829 -1.362 -9.757 206 2HZ LYS 26 2HZ LYS 26 1.447 -0.105 -8.741 207 3HZ LYS 26 3HZ LYS 26 1.589 0.138 -10.346 208 H GLU 27 H GLU 27 6.610 -4.968 -5.582 209 HA GLU 27 HA GLU 27 7.524 -7.357 -6.930 210 1HB GLU 27 2HB GLU 27 8.212 -6.320 -4.156 211 2HB GLU 27 3HB GLU 27 8.964 -7.685 -4.982 212 1HG GLU 27 2HG GLU 27 9.637 -6.128 -6.856 213 2HG GLU 27 3HG GLU 27 9.071 -4.775 -5.875 214 H ILE 28 H ILE 28 4.685 -6.976 -5.028 215 HA ILE 28 HA ILE 28 4.761 -9.709 -3.907 216 HB ILE 28 HB ILE 28 2.530 -7.724 -4.100 217 1HG1 ILE 28 2HG1 ILE 28 4.330 -6.844 -2.649 218 2HG1 ILE 28 3HG1 ILE 28 2.820 -7.111 -1.798 219 1HG2 ILE 28 1HG2 ILE 28 1.473 -9.001 -2.258 220 2HG2 ILE 28 2HG2 ILE 28 1.493 -9.799 -3.821 221 3HG2 ILE 28 3HG2 ILE 28 2.640 -10.313 -2.562 222 1HD1 ILE 28 1HD1 ILE 28 4.739 -7.809 -0.451 223 2HD1 ILE 28 2HD1 ILE 28 3.726 -9.210 -0.825 224 3HD1 ILE 28 3HD1 ILE 28 5.251 -8.950 -1.709 225 H GLU 29 H GLU 29 4.060 -11.443 -5.003 226 HA GLU 29 HA GLU 29 3.165 -11.318 -7.709 227 1HB GLU 29 2HB GLU 29 3.738 -13.475 -5.635 228 2HB GLU 29 3HB GLU 29 2.956 -13.877 -7.146 229 1HG GLU 29 2HG GLU 29 4.822 -12.924 -8.437 230 2HG GLU 29 3HG GLU 29 5.650 -12.478 -6.933 231 H GLY 30 H GLY 30 1.555 -11.639 -4.717 232 1HA GLY 30 1HA GLY 30 -0.831 -12.961 -5.547 233 2HA GLY 30 2HA GLY 30 -0.663 -11.973 -4.092 234 H VAL 31 H VAL 31 0.132 -9.651 -6.194 235 HA VAL 31 HA VAL 31 -2.635 -8.911 -6.849 236 HB VAL 31 HB VAL 31 -1.862 -7.717 -4.930 237 1HG1 VAL 31 1HG1 VAL 31 0.545 -7.947 -5.093 238 2HG1 VAL 31 2HG1 VAL 31 0.591 -6.913 -6.542 239 3HG1 VAL 31 3HG1 VAL 31 0.112 -6.242 -4.968 240 1HG2 VAL 31 1HG2 VAL 31 -2.048 -5.427 -5.722 241 2HG2 VAL 31 2HG2 VAL 31 -1.512 -5.920 -7.336 242 3HG2 VAL 31 3HG2 VAL 31 -3.101 -6.454 -6.727 243 H THR 32 H THR 32 -2.798 -7.525 -8.789 244 HA THR 32 HA THR 32 -0.702 -8.136 -10.800 245 HB THR 32 HB THR 32 -3.595 -7.257 -11.149 246 HG1 THR 32 1HG THR 32 -2.858 -9.515 -10.473 247 1HG2 THR 32 1HG2 THR 32 -1.467 -7.993 -13.193 248 2HG2 THR 32 2HG2 THR 32 -3.199 -7.781 -13.531 249 3HG2 THR 32 3HG2 THR 32 -2.231 -6.399 -12.990 250 H GLU 33 H GLU 33 -2.798 -5.457 -9.504 251 HA GLU 33 HA GLU 33 -0.487 -3.620 -10.040 252 1HB GLU 33 2HB GLU 33 -3.339 -3.303 -11.063 253 2HB GLU 33 3HB GLU 33 -2.330 -1.912 -10.693 254 1HG GLU 33 2HG GLU 33 -0.668 -3.586 -12.282 255 2HG GLU 33 3HG GLU 33 -2.263 -3.626 -13.037 256 H ALA 34 H ALA 34 -0.616 -1.631 -8.903 257 HA ALA 34 HA ALA 34 -2.612 -1.308 -6.891 258 1HB ALA 34 1HB ALA 34 0.277 -1.777 -6.002 259 2HB ALA 34 2HB ALA 34 -1.034 -1.199 -4.951 260 3HB ALA 34 3HB ALA 34 -1.113 -2.833 -5.646 261 H ILE 35 H ILE 35 -2.742 0.847 -6.270 262 HA ILE 35 HA ILE 35 -0.798 2.760 -7.514 263 HB ILE 35 HB ILE 35 -3.840 2.904 -7.590 264 1HG1 ILE 35 2HG1 ILE 35 -1.936 2.850 -9.967 265 2HG1 ILE 35 3HG1 ILE 35 -2.666 1.378 -9.319 266 1HG2 ILE 35 1HG2 ILE 35 -2.826 5.126 -7.187 267 2HG2 ILE 35 2HG2 ILE 35 -1.722 4.883 -8.554 268 3HG2 ILE 35 3HG2 ILE 35 -3.467 5.048 -8.820 269 1HD1 ILE 35 1HD1 ILE 35 -4.926 2.275 -9.675 270 2HD1 ILE 35 2HD1 ILE 35 -4.235 3.726 -10.435 271 3HD1 ILE 35 3HD1 ILE 35 -3.987 2.137 -11.173 272 H VAL 36 H VAL 36 0.016 3.947 -5.848 273 HA VAL 36 HA VAL 36 -1.546 4.107 -3.315 274 HB VAL 36 HB VAL 36 0.460 4.330 -2.192 275 1HG1 VAL 36 1HG1 VAL 36 1.071 2.151 -2.291 276 2HG1 VAL 36 2HG1 VAL 36 -0.117 1.995 -3.604 277 3HG1 VAL 36 3HG1 VAL 36 1.561 2.248 -3.987 278 1HG2 VAL 36 1HG2 VAL 36 1.805 5.799 -3.549 279 2HG2 VAL 36 2HG2 VAL 36 2.716 4.305 -3.386 280 3HG2 VAL 36 3HG2 VAL 36 1.847 4.636 -4.890 281 H ASN 37 H ASN 37 -2.297 6.118 -2.661 282 HA ASN 37 HA ASN 37 -1.319 8.539 -4.135 283 1HB ASN 37 2HB ASN 37 -3.386 8.186 -1.957 284 2HB ASN 37 3HB ASN 37 -2.919 9.724 -2.660 285 1HD2 ASN 37 1HD2 ASN 37 -4.165 10.446 -4.370 286 2HD2 ASN 37 2HD2 ASN 37 -5.184 9.406 -5.349 287 H PHE 38 H PHE 38 -1.763 7.348 -0.799 288 HA PHE 38 HA PHE 38 -0.920 7.994 1.187 289 1HB PHE 38 2HB PHE 38 1.640 8.614 -0.353 290 2HB PHE 38 3HB PHE 38 1.500 8.401 1.373 291 HD1 PHE 38 1HD PHE 38 2.688 6.767 -1.339 292 HD2 PHE 38 2HD PHE 38 0.124 6.109 2.049 293 HE1 PHE 38 1HE PHE 38 3.321 4.375 -1.306 294 HE2 PHE 38 2HE PHE 38 0.502 3.653 1.832 295 HZ PHE 38 HZ PHE 38 2.047 2.785 0.161 296 H GLY 39 H GLY 39 0.703 10.070 2.093 297 1HA GLY 39 1HA GLY 39 0.630 12.254 2.589 298 2HA GLY 39 2HA GLY 39 0.281 12.562 0.875 299 H ALA 40 H ALA 40 -1.684 10.641 3.068 300 HA ALA 40 HA ALA 40 -3.609 10.919 4.216 301 1HB ALA 40 1HB ALA 40 -4.624 13.026 4.671 302 2HB ALA 40 2HB ALA 40 -2.863 13.192 4.842 303 3HB ALA 40 3HB ALA 40 -3.694 13.853 3.414 304 H SER 41 H SER 41 -4.021 9.442 2.445 305 HA SER 41 HA SER 41 -6.415 10.113 0.994 306 1HB SER 41 2HB SER 41 -3.793 9.892 -0.486 307 2HB SER 41 3HB SER 41 -5.330 9.457 -1.273 308 HG SER 41 HG SER 41 -5.006 11.932 0.024 309 H LYS 42 H LYS 42 -4.815 7.633 -0.717 310 HA LYS 42 HA LYS 42 -5.330 5.528 1.150 311 1HB LYS 42 2HB LYS 42 -7.174 4.537 -0.337 312 2HB LYS 42 3HB LYS 42 -7.527 5.801 0.823 313 1HG LYS 42 2HG LYS 42 -6.986 6.933 -1.840 314 2HG LYS 42 3HG LYS 42 -8.239 5.707 -1.906 315 1HD LYS 42 2HD LYS 42 -8.233 8.101 -0.038 316 2HD LYS 42 3HD LYS 42 -9.199 7.966 -1.501 317 1HE LYS 42 2HE LYS 42 -9.584 5.691 0.421 318 2HE LYS 42 3HE LYS 42 -9.996 7.261 1.102 319 1HZ LYS 42 1HZ LYS 42 -11.098 6.161 -1.395 320 2HZ LYS 42 2HZ LYS 42 -11.737 6.002 0.100 321 3HZ LYS 42 3HZ LYS 42 -11.630 7.510 -0.574 322 H ILE 43 H ILE 43 -5.352 3.398 -0.040 323 HA ILE 43 HA ILE 43 -3.344 3.349 -2.243 324 HB ILE 43 HB ILE 43 -2.159 3.037 -0.222 325 1HG1 ILE 43 2HG1 ILE 43 -1.381 1.608 -2.003 326 2HG1 ILE 43 3HG1 ILE 43 -1.068 0.928 -0.416 327 1HG2 ILE 43 1HG2 ILE 43 -2.572 1.265 1.397 328 2HG2 ILE 43 2HG2 ILE 43 -3.859 2.461 1.377 329 3HG2 ILE 43 3HG2 ILE 43 -4.120 0.886 0.619 330 1HD1 ILE 43 1HD1 ILE 43 -3.098 -0.584 -0.783 331 2HD1 ILE 43 2HD1 ILE 43 -3.062 -0.036 -2.466 332 3HD1 ILE 43 3HD1 ILE 43 -1.671 -0.865 -1.795 333 H THR 44 H THR 44 -4.133 2.299 -3.947 334 HA THR 44 HA THR 44 -6.420 0.431 -3.621 335 HB THR 44 HB THR 44 -5.380 1.848 -6.092 336 HG1 THR 44 1HG THR 44 -6.524 2.843 -4.308 337 1HG2 THR 44 1HG2 THR 44 -7.797 0.017 -5.747 338 2HG2 THR 44 2HG2 THR 44 -7.469 1.039 -7.162 339 3HG2 THR 44 3HG2 THR 44 -6.382 -0.299 -6.776 340 H VAL 45 H VAL 45 -6.248 -1.588 -4.210 341 HA VAL 45 HA VAL 45 -3.777 -2.729 -5.395 342 HB VAL 45 HB VAL 45 -5.371 -3.461 -2.957 343 1HG1 VAL 45 1HG1 VAL 45 -5.898 -5.438 -4.259 344 2HG1 VAL 45 2HG1 VAL 45 -4.199 -5.615 -4.754 345 3HG1 VAL 45 3HG1 VAL 45 -4.665 -5.837 -3.060 346 1HG2 VAL 45 1HG2 VAL 45 -3.063 -2.531 -2.874 347 2HG2 VAL 45 2HG2 VAL 45 -3.197 -4.124 -2.107 348 3HG2 VAL 45 3HG2 VAL 45 -2.470 -3.972 -3.721 349 H THR 46 H THR 46 -4.242 -4.173 -7.066 350 HA THR 46 HA THR 46 -7.042 -4.747 -7.827 351 HB THR 46 HB THR 46 -5.081 -3.209 -9.597 352 HG1 THR 46 1HG THR 46 -6.873 -2.725 -7.763 353 1HG2 THR 46 1HG2 THR 46 -7.934 -4.238 -10.088 354 2HG2 THR 46 2HG2 THR 46 -7.073 -3.089 -11.133 355 3HG2 THR 46 3HG2 THR 46 -6.478 -4.751 -10.969 356 H GLY 47 H GLY 47 -6.615 -6.769 -7.327 357 1HA GLY 47 1HA GLY 47 -5.204 -8.293 -9.380 358 2HA GLY 47 2HA GLY 47 -4.359 -8.224 -7.842 359 H GLU 48 H GLU 48 -4.836 -9.834 -6.417 360 HA GLU 48 HA GLU 48 -7.586 -10.645 -5.922 361 1HB GLU 48 2HB GLU 48 -6.612 -12.005 -7.960 362 2HB GLU 48 3HB GLU 48 -5.672 -12.866 -6.738 363 1HG GLU 48 2HG GLU 48 -7.806 -13.515 -5.619 364 2HG GLU 48 3HG GLU 48 -8.719 -12.573 -6.816 365 H ALA 49 H ALA 49 -6.005 -9.207 -4.265 366 HA ALA 49 HA ALA 49 -5.642 -11.012 -2.024 367 1HB ALA 49 1HB ALA 49 -3.432 -11.201 -3.181 368 2HB ALA 49 2HB ALA 49 -3.240 -9.436 -3.051 369 3HB ALA 49 3HB ALA 49 -3.326 -10.450 -1.585 370 H SER 50 H SER 50 -4.580 -9.505 -0.160 371 HA SER 50 HA SER 50 -6.368 -7.132 -0.037 372 1HB SER 50 2HB SER 50 -5.550 -9.219 2.039 373 2HB SER 50 3HB SER 50 -6.352 -7.711 2.472 374 HG SER 50 HG SER 50 -7.413 -9.514 0.553 375 H ILE 51 H ILE 51 -5.661 -5.519 1.686 376 HA ILE 51 HA ILE 51 -3.151 -4.564 1.180 377 HB ILE 51 HB ILE 51 -5.104 -3.302 2.371 378 1HG1 ILE 51 2HG1 ILE 51 -3.615 -1.917 3.641 379 2HG1 ILE 51 3HG1 ILE 51 -2.277 -2.977 3.212 380 1HG2 ILE 51 1HG2 ILE 51 -5.183 -3.273 4.745 381 2HG2 ILE 51 2HG2 ILE 51 -5.294 -4.983 4.296 382 3HG2 ILE 51 3HG2 ILE 51 -3.756 -4.300 4.898 383 1HD1 ILE 51 1HD1 ILE 51 -2.368 -1.076 1.662 384 2HD1 ILE 51 2HD1 ILE 51 -2.856 -2.498 0.743 385 3HD1 ILE 51 3HD1 ILE 51 -4.088 -1.380 1.339 386 H GLN 52 H GLN 52 -4.036 -6.968 3.606 387 HA GLN 52 HA GLN 52 -2.127 -6.922 5.472 388 1HB GLN 52 2HB GLN 52 -2.975 -9.354 3.819 389 2HB GLN 52 3HB GLN 52 -2.073 -9.466 5.335 390 1HG GLN 52 2HG GLN 52 -4.852 -8.223 5.060 391 2HG GLN 52 3HG GLN 52 -4.488 -9.843 5.654 392 1HE2 GLN 52 1HE2 GLN 52 -4.996 -6.614 6.668 393 2HE2 GLN 52 2HE2 GLN 52 -4.250 -6.763 8.239 394 H GLN 53 H GLN 53 -1.446 -8.142 2.184 395 HA GLN 53 HA GLN 53 1.343 -8.735 2.645 396 1HB GLN 53 2HB GLN 53 -0.237 -8.078 0.136 397 2HB GLN 53 3HB GLN 53 1.469 -8.579 0.140 398 1HG GLN 53 2HG GLN 53 0.858 -10.678 1.327 399 2HG GLN 53 3HG GLN 53 -0.853 -10.225 1.254 400 1HE2 GLN 53 1HE2 GLN 53 -1.282 -9.306 -1.258 401 2HE2 GLN 53 2HE2 GLN 53 -0.862 -10.543 -2.428 402 H VAL 54 H VAL 54 -0.305 -5.825 1.437 403 HA VAL 54 HA VAL 54 2.029 -4.265 0.813 404 HB VAL 54 HB VAL 54 -0.836 -3.403 1.433 405 1HG1 VAL 54 1HG1 VAL 54 -0.154 -1.435 -0.037 406 2HG1 VAL 54 2HG1 VAL 54 0.355 -1.478 1.645 407 3HG1 VAL 54 3HG1 VAL 54 1.519 -1.887 0.368 408 1HG2 VAL 54 1HG2 VAL 54 -0.971 -4.916 -0.397 409 2HG2 VAL 54 2HG2 VAL 54 -1.010 -3.292 -1.088 410 3HG2 VAL 54 3HG2 VAL 54 0.484 -4.254 -1.148 411 H GLU 55 H GLU 55 -0.130 -4.554 3.666 412 HA GLU 55 HA GLU 55 1.113 -2.516 5.152 413 1HB GLU 55 2HB GLU 55 -1.231 -3.620 5.405 414 2HB GLU 55 3HB GLU 55 -0.418 -4.824 6.407 415 1HG GLU 55 2HG GLU 55 0.327 -3.122 7.958 416 2HG GLU 55 3HG GLU 55 -0.095 -1.824 6.831 417 H GLN 56 H GLN 56 1.531 -6.077 5.053 418 HA GLN 56 HA GLN 56 3.562 -6.329 6.983 419 1HB GLN 56 2HB GLN 56 2.331 -8.165 5.720 420 2HB GLN 56 3HB GLN 56 3.453 -7.913 4.379 421 1HG GLN 56 2HG GLN 56 4.159 -8.683 7.248 422 2HG GLN 56 3HG GLN 56 4.069 -9.791 5.874 423 1HE2 GLN 56 1HE2 GLN 56 6.324 -8.406 7.773 424 2HE2 GLN 56 2HE2 GLN 56 7.591 -8.160 6.586 425 H ALA 57 H ALA 57 3.896 -5.675 3.415 426 HA ALA 57 HA ALA 57 6.624 -5.071 3.360 427 1HB ALA 57 1HB ALA 57 4.239 -4.461 1.723 428 2HB ALA 57 2HB ALA 57 5.473 -3.208 1.637 429 3HB ALA 57 3HB ALA 57 5.872 -4.904 1.249 430 H GLY 58 H GLY 58 3.900 -2.889 4.257 431 1HA GLY 58 1HA GLY 58 5.377 -0.560 4.822 432 2HA GLY 58 2HA GLY 58 3.796 -1.036 5.486 433 H ALA 59 H ALA 59 5.450 -3.554 6.614 434 HA ALA 59 HA ALA 59 5.576 -2.660 9.246 435 1HB ALA 59 1HB ALA 59 5.538 -5.030 8.603 436 2HB ALA 59 2HB ALA 59 7.210 -4.897 7.995 437 3HB ALA 59 3HB ALA 59 6.865 -4.677 9.722 438 H PHE 60 H PHE 60 7.932 -2.040 6.688 439 HA PHE 60 HA PHE 60 10.167 -1.495 8.358 440 1HB PHE 60 2HB PHE 60 10.994 -0.072 6.570 441 2HB PHE 60 3HB PHE 60 10.501 -1.669 6.036 442 HD1 PHE 60 1HD PHE 60 9.328 1.896 6.175 443 HD2 PHE 60 2HD PHE 60 9.242 -1.838 4.044 444 HE1 PHE 60 1HE PHE 60 8.057 2.973 4.331 445 HE2 PHE 60 2HE PHE 60 7.988 -0.754 2.203 446 HZ PHE 60 HZ PHE 60 7.463 1.664 2.308 447 H GLU 61 H GLU 61 7.255 0.422 7.771 448 HA GLU 61 HA GLU 61 8.274 2.551 9.643 449 1HB GLU 61 2HB GLU 61 6.767 2.665 7.050 450 2HB GLU 61 3HB GLU 61 6.432 3.892 8.282 451 1HG GLU 61 2HG GLU 61 9.332 3.537 7.849 452 2HG GLU 61 3HG GLU 61 8.449 3.989 6.382 453 H HIS 62 H HIS 62 5.848 0.141 9.156 454 HA HIS 62 HA HIS 62 4.281 -0.618 10.607 455 1HB HIS 62 2HB HIS 62 4.788 1.632 12.567 456 2HB HIS 62 3HB HIS 62 4.157 0.021 12.862 457 HD1 HIS 62 1HD HIS 62 6.892 -1.287 11.199 458 HD2 HIS 62 2HD HIS 62 6.643 1.419 14.421 459 HE1 HIS 62 1HE HIS 62 9.072 -1.455 12.453 460 H LEU 63 H LEU 63 3.145 0.381 8.573 461 HA LEU 63 HA LEU 63 1.622 2.808 9.159 462 1HB LEU 63 2HB LEU 63 1.715 0.964 6.775 463 2HB LEU 63 3HB LEU 63 0.554 2.281 6.897 464 HG LEU 63 HG LEU 63 2.509 2.956 5.594 465 1HD1 LEU 63 1HD1 LEU 63 2.976 5.059 6.611 466 2HD1 LEU 63 2HD1 LEU 63 1.260 4.673 6.770 467 3HD1 LEU 63 3HD1 LEU 63 2.356 4.553 8.172 468 1HD2 LEU 63 1HD2 LEU 63 4.180 2.800 8.123 469 2HD2 LEU 63 2HD2 LEU 63 4.226 1.580 6.818 470 3HD2 LEU 63 3HD2 LEU 63 4.690 3.260 6.513 471 H LYS 64 H LYS 64 -0.895 2.653 8.493 472 HA LYS 64 HA LYS 64 -2.147 0.487 10.079 473 1HB LYS 64 2HB LYS 64 -3.334 2.196 11.428 474 2HB LYS 64 3HB LYS 64 -1.642 1.963 11.843 475 1HG LYS 64 2HG LYS 64 -2.555 4.230 10.023 476 2HG LYS 64 3HG LYS 64 -2.619 4.379 11.769 477 1HD LYS 64 2HD LYS 64 -0.037 3.737 10.283 478 2HD LYS 64 3HD LYS 64 -0.625 5.316 10.545 479 1HE LYS 64 2HE LYS 64 -0.261 5.194 12.902 480 2HE LYS 64 3HE LYS 64 -0.359 3.431 12.926 481 1HZ LYS 64 1HZ LYS 64 1.895 4.927 11.768 482 2HZ LYS 64 2HZ LYS 64 1.881 4.181 13.231 483 3HZ LYS 64 3HZ LYS 64 1.780 3.290 11.866 484 H ILE 65 H ILE 65 -2.561 0.079 7.913 485 HA ILE 65 HA ILE 65 -4.144 1.960 6.348 486 HB ILE 65 HB ILE 65 -3.360 -0.836 5.517 487 1HG1 ILE 65 2HG1 ILE 65 -1.711 1.688 5.435 488 2HG1 ILE 65 3HG1 ILE 65 -1.341 0.114 6.188 489 1HG2 ILE 65 1HG2 ILE 65 -4.105 1.750 4.054 490 2HG2 ILE 65 2HG2 ILE 65 -3.567 0.274 3.241 491 3HG2 ILE 65 3HG2 ILE 65 -5.042 0.263 4.198 492 1HD1 ILE 65 1HD1 ILE 65 -1.355 0.692 3.230 493 2HD1 ILE 65 2HD1 ILE 65 0.019 0.322 4.270 494 3HD1 ILE 65 3HD1 ILE 65 -1.196 -0.929 3.963 495 H ILE 66 H ILE 66 -6.323 2.098 6.677 496 HA ILE 66 HA ILE 66 -7.662 -0.154 8.006 497 HB ILE 66 HB ILE 66 -8.524 2.714 7.570 498 1HG1 ILE 66 2HG1 ILE 66 -7.565 1.256 10.085 499 2HG1 ILE 66 3HG1 ILE 66 -6.577 2.362 9.128 500 1HG2 ILE 66 1HG2 ILE 66 -10.360 2.202 9.140 501 2HG2 ILE 66 2HG2 ILE 66 -10.478 1.149 7.744 502 3HG2 ILE 66 3HG2 ILE 66 -9.813 0.521 9.265 503 1HD1 ILE 66 1HD1 ILE 66 -9.059 3.122 10.694 504 2HD1 ILE 66 2HD1 ILE 66 -7.378 3.572 11.005 505 3HD1 ILE 66 3HD1 ILE 66 -8.198 4.197 9.562 506 HA PRO 67 HA PRO 67 -9.715 -1.028 4.005 507 1HB PRO 67 2HB PRO 67 -11.504 -2.912 4.868 508 2HB PRO 67 3HB PRO 67 -9.776 -3.271 4.649 509 1HG PRO 67 2HG PRO 67 -11.197 -2.593 7.219 510 2HG PRO 67 3HG PRO 67 -10.027 -3.910 6.921 511 1HD PRO 67 2HD PRO 67 -9.325 -1.552 8.059 512 2HD PRO 67 3HD PRO 67 -8.199 -2.399 6.957 513 H GLU 68 H GLU 68 -10.666 1.029 3.744 514 HA GLU 68 HA GLU 68 -12.877 2.099 4.989 515 1HB GLU 68 2HB GLU 68 -12.422 1.946 1.961 516 2HB GLU 68 3HB GLU 68 -13.531 3.024 2.813 517 1HG GLU 68 2HG GLU 68 -11.385 3.734 4.176 518 2HG GLU 68 3HG GLU 68 -10.509 3.062 2.785 519 H LYS 69 H LYS 69 -12.971 -0.406 2.436 520 HA LYS 69 HA LYS 69 -14.504 -2.004 1.913 521 1HB LYS 69 2HB LYS 69 -14.370 -1.880 4.785 522 2HB LYS 69 3HB LYS 69 -16.010 -2.256 4.383 523 1HG LYS 69 2HG LYS 69 -13.568 -3.695 3.244 524 2HG LYS 69 3HG LYS 69 -14.327 -4.160 4.757 525 1HD LYS 69 2HD LYS 69 -15.653 -4.293 2.003 526 2HD LYS 69 3HD LYS 69 -14.977 -5.624 2.926 527 1HE LYS 69 2HE LYS 69 -17.268 -5.818 3.346 528 2HE LYS 69 3HE LYS 69 -16.641 -5.047 4.810 529 1HZ LYS 69 1HZ LYS 69 -18.617 -4.030 3.011 530 2HZ LYS 69 2HZ LYS 69 -18.024 -3.298 4.369 531 3HZ LYS 69 3HZ LYS 69 -17.367 -3.144 2.858 532 H GLU 70 H GLU 70 -15.420 -0.692 0.409 533 HA GLU 70 HA GLU 70 -17.079 0.203 -0.783 534 1HB GLU 70 2HB GLU 70 -18.878 0.192 1.688 535 2HB GLU 70 3HB GLU 70 -19.310 0.737 0.085 536 1HG GLU 70 2HG GLU 70 -20.170 -1.381 0.100 537 2HG GLU 70 3HG GLU 70 -18.673 -1.578 -0.812 538 H ALA 71 H ALA 71 -18.603 2.582 -0.343 539 HA ALA 71 HA ALA 71 -16.788 4.561 0.730 540 1HB ALA 71 1HB ALA 71 -17.407 4.310 -2.260 541 2HB ALA 71 2HB ALA 71 -16.599 5.684 -1.477 542 3HB ALA 71 3HB ALA 71 -15.796 4.097 -1.532 Start of MODEL 4 1 1H MET 1 H1 MET 1 -12.818 -7.609 -11.780 2 2H MET 1 H2 MET 1 -14.198 -6.708 -11.715 3 3H MET 1 H3 MET 1 -13.206 -6.815 -10.398 4 HA MET 1 HA MET 1 -15.129 -8.116 -10.062 5 1HB MET 1 2HB MET 1 -14.316 -9.273 -12.726 6 2HB MET 1 3HB MET 1 -15.067 -10.336 -11.522 7 1HG MET 1 2HG MET 1 -16.984 -8.879 -11.293 8 2HG MET 1 3HG MET 1 -16.302 -7.714 -12.441 9 1HE MET 1 1HE MET 1 -18.722 -7.787 -13.582 10 2HE MET 1 2HE MET 1 -19.448 -9.280 -14.222 11 3HE MET 1 3HE MET 1 -19.261 -9.070 -12.467 12 H ALA 2 H ALA 2 -12.292 -9.955 -11.356 13 HA ALA 2 HA ALA 2 -11.873 -11.816 -9.555 14 1HB ALA 2 1HB ALA 2 -9.683 -9.973 -10.613 15 2HB ALA 2 2HB ALA 2 -9.434 -11.588 -9.915 16 3HB ALA 2 3HB ALA 2 -10.359 -11.404 -11.418 17 H GLU 3 H GLU 3 -10.038 -8.763 -8.894 18 HA GLU 3 HA GLU 3 -11.456 -8.343 -6.481 19 1HB GLU 3 2HB GLU 3 -9.080 -9.933 -6.262 20 2HB GLU 3 3HB GLU 3 -8.705 -8.357 -5.548 21 1HG GLU 3 2HG GLU 3 -11.056 -10.151 -4.797 22 2HG GLU 3 3HG GLU 3 -9.544 -9.996 -3.899 23 H LYS 4 H LYS 4 -11.058 -6.285 -5.726 24 HA LYS 4 HA LYS 4 -9.145 -4.474 -6.662 25 1HB LYS 4 2HB LYS 4 -10.480 -2.896 -7.977 26 2HB LYS 4 3HB LYS 4 -10.309 -4.451 -8.778 27 1HG LYS 4 2HG LYS 4 -12.518 -4.345 -9.133 28 2HG LYS 4 3HG LYS 4 -12.686 -4.852 -7.448 29 1HD LYS 4 2HD LYS 4 -12.649 -2.338 -6.852 30 2HD LYS 4 3HD LYS 4 -12.756 -2.022 -8.592 31 1HE LYS 4 2HE LYS 4 -14.890 -3.336 -8.678 32 2HE LYS 4 3HE LYS 4 -14.745 -3.676 -6.943 33 1HZ LYS 4 1HZ LYS 4 -14.934 -1.336 -6.517 34 2HZ LYS 4 2HZ LYS 4 -15.065 -0.997 -8.123 35 3HZ LYS 4 3HZ LYS 4 -16.236 -1.866 -7.367 36 H THR 5 H THR 5 -8.898 -3.200 -4.801 37 HA THR 5 HA THR 5 -11.285 -2.122 -3.544 38 HB THR 5 HB THR 5 -9.541 -4.053 -1.904 39 HG1 THR 5 1HG THR 5 -11.726 -4.203 -3.338 40 1HG2 THR 5 1HG2 THR 5 -11.933 -2.299 -1.093 41 2HG2 THR 5 2HG2 THR 5 -11.232 -3.585 -0.105 42 3HG2 THR 5 3HG2 THR 5 -10.283 -2.139 -0.452 43 H VAL 6 H VAL 6 -10.747 -0.465 -2.052 44 HA VAL 6 HA VAL 6 -7.968 0.114 -1.996 45 HB VAL 6 HB VAL 6 -8.714 1.375 -3.853 46 1HG1 VAL 6 1HG1 VAL 6 -11.085 1.237 -3.694 47 2HG1 VAL 6 2HG1 VAL 6 -11.107 2.357 -2.304 48 3HG1 VAL 6 3HG1 VAL 6 -10.592 2.912 -3.921 49 1HG2 VAL 6 1HG2 VAL 6 -8.929 3.432 -1.619 50 2HG2 VAL 6 2HG2 VAL 6 -7.378 2.790 -2.199 51 3HG2 VAL 6 3HG2 VAL 6 -8.424 3.699 -3.304 52 H TYR 7 H TYR 7 -7.165 1.230 -0.302 53 HA TYR 7 HA TYR 7 -8.877 1.067 2.135 54 1HB TYR 7 2HB TYR 7 -5.951 0.385 1.946 55 2HB TYR 7 3HB TYR 7 -7.115 -0.181 3.117 56 HD1 TYR 7 HD1 TYR 7 -9.126 -1.734 1.910 57 HD2 TYR 7 HD2 TYR 7 -5.257 -1.003 0.176 58 HE1 TYR 7 HE1 TYR 7 -9.052 -4.055 1.092 59 HE2 TYR 7 HE2 TYR 7 -5.222 -3.283 -0.710 60 HH TYR 7 HH TYR 7 -6.540 -5.218 -1.136 61 H ARG 8 H ARG 8 -8.282 2.607 3.826 62 HA ARG 8 HA ARG 8 -6.956 5.046 2.729 63 1HB ARG 8 2HB ARG 8 -8.859 4.393 4.979 64 2HB ARG 8 3HB ARG 8 -7.670 5.639 5.311 65 1HG ARG 8 2HG ARG 8 -8.783 6.207 2.690 66 2HG ARG 8 3HG ARG 8 -10.089 5.828 3.801 67 1HD ARG 8 2HD ARG 8 -9.087 7.477 5.462 68 2HD ARG 8 3HD ARG 8 -7.829 7.824 4.273 69 HE ARG 8 HE ARG 8 -9.197 9.267 3.258 70 1HH1 ARG 8 2HH2 ARG 8 -11.602 6.883 4.537 71 2HH1 ARG 8 1HH2 ARG 8 -12.710 8.087 4.962 72 1HH2 ARG 8 2HH1 ARG 8 -11.000 10.692 3.281 73 2HH2 ARG 8 1HH1 ARG 8 -12.522 10.164 3.924 74 H VAL 9 H VAL 9 -5.045 5.920 3.601 75 HA VAL 9 HA VAL 9 -3.585 4.229 5.559 76 HB VAL 9 HB VAL 9 -2.707 3.350 3.608 77 1HG1 VAL 9 1HG1 VAL 9 -2.137 4.621 1.574 78 2HG1 VAL 9 2HG1 VAL 9 -3.824 4.724 1.958 79 3HG1 VAL 9 3HG1 VAL 9 -2.767 6.106 2.322 80 1HG2 VAL 9 1HG2 VAL 9 -0.964 4.354 5.142 81 2HG2 VAL 9 2HG2 VAL 9 -0.440 4.053 3.492 82 3HG2 VAL 9 3HG2 VAL 9 -0.847 5.705 3.986 83 H ASP 10 H ASP 10 -2.361 5.317 6.957 84 HA ASP 10 HA ASP 10 -1.905 8.224 6.629 85 1HB ASP 10 2HB ASP 10 -3.453 6.777 8.828 86 2HB ASP 10 3HB ASP 10 -2.583 8.277 9.156 87 H GLY 11 H GLY 11 -0.074 8.870 7.734 88 1HA GLY 11 1HA GLY 11 1.120 8.549 9.878 89 2HA GLY 11 2HA GLY 11 1.458 6.887 9.392 90 H LEU 12 H LEU 12 2.222 6.999 6.847 91 HA LEU 12 HA LEU 12 4.869 7.955 7.000 92 1HB LEU 12 2HB LEU 12 5.185 7.079 4.844 93 2HB LEU 12 3HB LEU 12 4.041 6.025 5.625 94 HG LEU 12 HG LEU 12 3.289 6.185 3.470 95 1HD1 LEU 12 1HD1 LEU 12 1.108 7.111 3.490 96 2HD1 LEU 12 2HD1 LEU 12 1.458 6.393 5.057 97 3HD1 LEU 12 3HD1 LEU 12 1.476 8.162 4.858 98 1HD2 LEU 12 1HD2 LEU 12 3.335 7.964 2.026 99 2HD2 LEU 12 2HD2 LEU 12 3.169 9.187 3.289 100 3HD2 LEU 12 3HD2 LEU 12 4.715 8.345 3.034 101 H SER 13 H SER 13 5.969 9.529 5.631 102 HA SER 13 HA SER 13 4.435 11.439 4.087 103 1HB SER 13 2HB SER 13 4.032 12.235 6.462 104 2HB SER 13 3HB SER 13 5.774 12.538 6.591 105 HG SER 13 HG SER 13 4.571 14.385 5.903 106 H CYS 14 H CYS 14 6.046 10.237 2.679 107 HA CYS 14 HA CYS 14 8.154 12.045 2.103 108 1HB CYS 14 2HB CYS 14 8.896 9.921 3.971 109 2HB CYS 14 3HB CYS 14 9.716 9.642 2.428 110 HG CYS 14 HG CYS 14 9.537 12.421 4.154 111 H THR 15 H THR 15 8.587 11.941 -0.074 112 HA THR 15 HA THR 15 7.198 10.201 -1.740 113 HB THR 15 HB THR 15 9.796 11.636 -2.416 114 HG1 THR 15 1HG THR 15 7.168 12.692 -2.248 115 1HG2 THR 15 1HG2 THR 15 8.852 10.277 -4.248 116 2HG2 THR 15 2HG2 THR 15 7.264 11.043 -4.030 117 3HG2 THR 15 3HG2 THR 15 8.649 12.004 -4.588 118 H ASN 16 H ASN 16 10.626 9.993 -0.618 119 HA ASN 16 HA ASN 16 11.355 7.757 -2.086 120 1HB ASN 16 2HB ASN 16 12.254 8.653 0.682 121 2HB ASN 16 3HB ASN 16 13.006 7.325 -0.219 122 1HD2 ASN 16 1HD2 ASN 16 14.882 8.991 0.261 123 2HD2 ASN 16 2HD2 ASN 16 15.177 10.106 -1.061 124 H CYS 17 H CYS 17 9.883 7.904 1.172 125 HA CYS 17 HA CYS 17 9.626 5.105 1.625 126 1HB CYS 17 2HB CYS 17 8.096 7.536 2.627 127 2HB CYS 17 3HB CYS 17 7.583 5.893 3.028 128 HG CYS 17 HG CYS 17 9.664 5.089 4.185 129 H ALA 18 H ALA 18 7.390 7.490 0.118 130 HA ALA 18 HA ALA 18 5.303 5.774 -0.377 131 1HB ALA 18 1HB ALA 18 5.211 8.228 -0.752 132 2HB ALA 18 2HB ALA 18 6.196 8.039 -2.215 133 3HB ALA 18 3HB ALA 18 4.594 7.319 -2.154 134 H ALA 19 H ALA 19 8.072 6.482 -2.448 135 HA ALA 19 HA ALA 19 7.454 4.797 -4.646 136 1HB ALA 19 1HB ALA 19 9.156 6.572 -4.734 137 2HB ALA 19 2HB ALA 19 10.183 5.671 -3.600 138 3HB ALA 19 3HB ALA 19 9.837 5.002 -5.207 139 H LYS 20 H LYS 20 9.558 4.185 -1.739 140 HA LYS 20 HA LYS 20 10.116 1.515 -2.443 141 1HB LYS 20 2HB LYS 20 11.321 2.621 -0.639 142 2HB LYS 20 3HB LYS 20 9.859 2.645 0.376 143 1HG LYS 20 2HG LYS 20 9.775 0.240 0.488 144 2HG LYS 20 3HG LYS 20 10.933 0.088 -0.849 145 1HD LYS 20 2HD LYS 20 12.746 0.927 0.592 146 2HD LYS 20 3HD LYS 20 11.598 1.215 1.904 147 1HE LYS 20 2HE LYS 20 12.901 -0.922 2.162 148 2HE LYS 20 3HE LYS 20 11.144 -1.135 2.187 149 1HZ LYS 20 1HZ LYS 20 12.778 -1.579 -0.227 150 2HZ LYS 20 2HZ LYS 20 12.331 -2.768 0.816 151 3HZ LYS 20 3HZ LYS 20 11.182 -1.950 -0.013 152 H PHE 21 H PHE 21 7.344 2.829 -0.608 153 HA PHE 21 HA PHE 21 6.069 0.414 0.042 154 1HB PHE 21 2HB PHE 21 5.381 3.207 0.025 155 2HB PHE 21 3HB PHE 21 4.067 2.355 -0.761 156 HD1 PHE 21 1HD PHE 21 4.521 3.832 2.084 157 HD2 PHE 21 2HD PHE 21 3.723 -0.149 0.613 158 HE1 PHE 21 1HE PHE 21 3.085 3.394 4.014 159 HE2 PHE 21 2HE PHE 21 2.520 -0.668 2.710 160 HZ PHE 21 HZ PHE 21 2.130 1.116 4.387 161 H GLU 22 H GLU 22 5.395 2.496 -2.867 162 HA GLU 22 HA GLU 22 3.500 0.662 -3.880 163 1HB GLU 22 2HB GLU 22 3.322 2.031 -5.760 164 2HB GLU 22 3HB GLU 22 3.783 3.086 -4.430 165 1HG GLU 22 2HG GLU 22 5.031 3.962 -6.105 166 2HG GLU 22 3HG GLU 22 6.202 2.893 -5.350 167 H ARG 23 H ARG 23 6.950 1.022 -4.549 168 HA ARG 23 HA ARG 23 7.197 -0.991 -6.540 169 1HB ARG 23 2HB ARG 23 8.813 0.888 -5.613 170 2HB ARG 23 3HB ARG 23 9.370 -0.359 -4.491 171 1HG ARG 23 2HG ARG 23 9.415 -0.270 -7.522 172 2HG ARG 23 3HG ARG 23 10.798 -0.165 -6.414 173 1HD ARG 23 2HD ARG 23 9.973 -2.547 -5.612 174 2HD ARG 23 3HD ARG 23 9.184 -2.634 -7.191 175 HE ARG 23 HE ARG 23 11.711 -3.378 -6.649 176 1HH1 ARG 23 2HH2 ARG 23 10.253 -1.298 -9.015 177 2HH1 ARG 23 1HH2 ARG 23 11.678 -1.004 -9.970 178 1HH2 ARG 23 2HH1 ARG 23 13.729 -2.894 -7.725 179 2HH2 ARG 23 1HH1 ARG 23 13.739 -1.986 -9.211 180 H ASN 24 H ASN 24 7.607 -1.203 -2.944 181 HA ASN 24 HA ASN 24 8.156 -3.974 -2.751 182 1HB ASN 24 2HB ASN 24 6.996 -1.897 -0.905 183 2HB ASN 24 3HB ASN 24 6.563 -3.556 -0.584 184 1HD2 ASN 24 1HD2 ASN 24 7.837 -4.728 0.698 185 2HD2 ASN 24 2HD2 ASN 24 9.489 -4.349 1.089 186 H VAL 25 H VAL 25 4.972 -2.263 -2.853 187 HA VAL 25 HA VAL 25 3.420 -4.671 -2.756 188 HB VAL 25 HB VAL 25 2.663 -2.004 -4.022 189 1HG1 VAL 25 1HG1 VAL 25 1.180 -3.779 -4.811 190 2HG1 VAL 25 2HG1 VAL 25 1.046 -4.456 -3.182 191 3HG1 VAL 25 3HG1 VAL 25 0.335 -2.874 -3.544 192 1HG2 VAL 25 1HG2 VAL 25 2.293 -3.167 -1.233 193 2HG2 VAL 25 2HG2 VAL 25 3.180 -1.705 -1.638 194 3HG2 VAL 25 3HG2 VAL 25 1.432 -1.727 -1.842 195 H LYS 26 H LYS 26 4.632 -2.794 -5.629 196 HA LYS 26 HA LYS 26 3.583 -4.509 -7.593 197 1HB LYS 26 2HB LYS 26 5.913 -2.615 -7.335 198 2HB LYS 26 3HB LYS 26 5.729 -3.520 -8.812 199 1HG LYS 26 2HG LYS 26 3.513 -2.637 -9.177 200 2HG LYS 26 3HG LYS 26 3.474 -1.868 -7.569 201 1HD LYS 26 2HD LYS 26 5.167 -0.296 -8.143 202 2HD LYS 26 3HD LYS 26 5.696 -1.261 -9.501 203 1HE LYS 26 2HE LYS 26 4.543 0.654 -10.396 204 2HE LYS 26 3HE LYS 26 3.515 -0.758 -10.699 205 1HZ LYS 26 1HZ LYS 26 3.263 1.255 -8.579 206 2HZ LYS 26 2HZ LYS 26 2.255 1.107 -9.859 207 3HZ LYS 26 3HZ LYS 26 2.243 -0.045 -8.680 208 H GLU 27 H GLU 27 6.546 -4.904 -5.612 209 HA GLU 27 HA GLU 27 7.433 -7.249 -7.039 210 1HB GLU 27 2HB GLU 27 8.120 -6.119 -4.311 211 2HB GLU 27 3HB GLU 27 8.892 -7.552 -4.995 212 1HG GLU 27 2HG GLU 27 9.742 -6.318 -6.895 213 2HG GLU 27 3HG GLU 27 8.850 -4.870 -6.430 214 H ILE 28 H ILE 28 4.649 -6.953 -5.041 215 HA ILE 28 HA ILE 28 4.788 -9.621 -3.873 216 HB ILE 28 HB ILE 28 2.465 -7.761 -4.410 217 1HG1 ILE 28 2HG1 ILE 28 4.056 -6.861 -2.751 218 2HG1 ILE 28 3HG1 ILE 28 2.472 -7.210 -2.069 219 1HG2 ILE 28 1HG2 ILE 28 1.188 -9.144 -2.781 220 2HG2 ILE 28 2HG2 ILE 28 1.487 -9.893 -4.346 221 3HG2 ILE 28 3HG2 ILE 28 2.450 -10.390 -2.937 222 1HD1 ILE 28 1HD1 ILE 28 5.012 -8.863 -1.731 223 2HD1 ILE 28 2HD1 ILE 28 4.201 -7.868 -0.513 224 3HD1 ILE 28 3HD1 ILE 28 3.418 -9.341 -1.103 225 H GLU 29 H GLU 29 3.968 -11.522 -4.686 226 HA GLU 29 HA GLU 29 3.247 -11.701 -7.523 227 1HB GLU 29 2HB GLU 29 4.125 -13.608 -5.309 228 2HB GLU 29 3HB GLU 29 3.287 -14.179 -6.733 229 1HG GLU 29 2HG GLU 29 5.029 -13.152 -8.195 230 2HG GLU 29 3HG GLU 29 5.900 -12.611 -6.747 231 H GLY 30 H GLY 30 1.240 -12.198 -8.116 232 1HA GLY 30 1HA GLY 30 -0.777 -13.520 -7.834 233 2HA GLY 30 2HA GLY 30 -0.849 -13.052 -6.130 234 H VAL 31 H VAL 31 -0.308 -10.315 -6.310 235 HA VAL 31 HA VAL 31 -2.820 -9.244 -7.156 236 HB VAL 31 HB VAL 31 -1.359 -8.484 -5.256 237 1HG1 VAL 31 1HG1 VAL 31 0.817 -8.443 -6.463 238 2HG1 VAL 31 2HG1 VAL 31 0.245 -7.047 -7.405 239 3HG1 VAL 31 3HG1 VAL 31 0.431 -6.915 -5.645 240 1HG2 VAL 31 1HG2 VAL 31 -3.241 -7.156 -6.161 241 2HG2 VAL 31 2HG2 VAL 31 -1.955 -6.186 -5.402 242 3HG2 VAL 31 3HG2 VAL 31 -2.074 -6.253 -7.168 243 H THR 32 H THR 32 -2.988 -7.401 -8.783 244 HA THR 32 HA THR 32 -1.395 -8.042 -11.242 245 HB THR 32 HB THR 32 -4.261 -7.054 -11.011 246 HG1 THR 32 1HG THR 32 -3.314 -9.455 -10.750 247 1HG2 THR 32 1HG2 THR 32 -4.325 -7.455 -13.451 248 2HG2 THR 32 2HG2 THR 32 -3.176 -6.174 -13.037 249 3HG2 THR 32 3HG2 THR 32 -2.583 -7.798 -13.442 250 H GLU 33 H GLU 33 -3.377 -5.446 -9.704 251 HA GLU 33 HA GLU 33 -0.993 -3.638 -10.159 252 1HB GLU 33 2HB GLU 33 -3.867 -2.866 -10.833 253 2HB GLU 33 3HB GLU 33 -2.515 -1.748 -10.642 254 1HG GLU 33 2HG GLU 33 -1.312 -3.301 -12.406 255 2HG GLU 33 3HG GLU 33 -2.967 -3.769 -12.824 256 H ALA 34 H ALA 34 -0.867 -1.748 -8.829 257 HA ALA 34 HA ALA 34 -2.824 -1.462 -6.747 258 1HB ALA 34 1HB ALA 34 -1.202 -1.512 -4.864 259 2HB ALA 34 2HB ALA 34 -1.296 -3.102 -5.648 260 3HB ALA 34 3HB ALA 34 0.079 -2.021 -5.985 261 H ILE 35 H ILE 35 -2.867 0.669 -5.996 262 HA ILE 35 HA ILE 35 -0.821 2.540 -7.149 263 HB ILE 35 HB ILE 35 -3.810 3.094 -7.127 264 1HG1 ILE 35 2HG1 ILE 35 -2.028 2.398 -9.506 265 2HG1 ILE 35 3HG1 ILE 35 -3.294 1.361 -8.830 266 1HG2 ILE 35 1HG2 ILE 35 -2.162 5.026 -6.860 267 2HG2 ILE 35 2HG2 ILE 35 -1.503 4.596 -8.443 268 3HG2 ILE 35 3HG2 ILE 35 -3.189 5.138 -8.283 269 1HD1 ILE 35 1HD1 ILE 35 -4.995 3.113 -9.322 270 2HD1 ILE 35 2HD1 ILE 35 -3.739 4.046 -10.177 271 3HD1 ILE 35 3HD1 ILE 35 -4.196 2.439 -10.757 272 H VAL 36 H VAL 36 0.200 3.100 -5.271 273 HA VAL 36 HA VAL 36 -1.380 3.479 -2.815 274 HB VAL 36 HB VAL 36 0.496 3.443 -1.635 275 1HG1 VAL 36 1HG1 VAL 36 0.258 1.254 -2.843 276 2HG1 VAL 36 2HG1 VAL 36 1.455 1.814 -4.012 277 3HG1 VAL 36 3HG1 VAL 36 1.896 1.613 -2.303 278 1HG2 VAL 36 1HG2 VAL 36 2.063 4.366 -4.063 279 2HG2 VAL 36 2HG2 VAL 36 1.771 5.256 -2.557 280 3HG2 VAL 36 3HG2 VAL 36 2.818 3.831 -2.543 281 H ASN 37 H ASN 37 -2.381 5.492 -2.449 282 HA ASN 37 HA ASN 37 -0.980 7.901 -3.574 283 1HB ASN 37 2HB ASN 37 -3.951 7.688 -3.052 284 2HB ASN 37 3HB ASN 37 -3.060 8.931 -3.924 285 1HD2 ASN 37 1HD2 ASN 37 -4.199 5.571 -3.949 286 2HD2 ASN 37 2HD2 ASN 37 -4.184 5.372 -5.700 287 H PHE 38 H PHE 38 0.153 8.561 -1.783 288 HA PHE 38 HA PHE 38 -1.136 8.344 0.903 289 1HB PHE 38 2HB PHE 38 1.744 8.882 0.113 290 2HB PHE 38 3HB PHE 38 1.148 8.538 1.735 291 HD1 PHE 38 1HD PHE 38 -0.616 6.284 1.504 292 HD2 PHE 38 2HD PHE 38 3.148 7.058 -0.399 293 HE1 PHE 38 1HE PHE 38 -0.174 3.828 1.336 294 HE2 PHE 38 2HE PHE 38 3.575 4.620 -0.506 295 HZ PHE 38 HZ PHE 38 1.949 3.015 0.456 296 H GLY 39 H GLY 39 0.372 10.268 2.262 297 1HA GLY 39 1HA GLY 39 0.662 12.471 2.613 298 2HA GLY 39 2HA GLY 39 0.080 12.856 0.981 299 H ALA 40 H ALA 40 -2.354 12.035 0.732 300 HA ALA 40 HA ALA 40 -4.068 12.178 3.080 301 1HB ALA 40 1HB ALA 40 -3.601 14.596 2.838 302 2HB ALA 40 2HB ALA 40 -4.057 14.528 1.124 303 3HB ALA 40 3HB ALA 40 -5.277 14.243 2.385 304 H SER 41 H SER 41 -4.100 10.022 1.662 305 HA SER 41 HA SER 41 -6.485 10.101 0.024 306 1HB SER 41 2HB SER 41 -3.789 9.863 -1.324 307 2HB SER 41 3HB SER 41 -5.256 9.131 -2.022 308 HG SER 41 HG SER 41 -5.302 11.810 -1.254 309 H LYS 42 H LYS 42 -4.603 7.475 -1.046 310 HA LYS 42 HA LYS 42 -5.440 5.604 0.853 311 1HB LYS 42 2HB LYS 42 -7.427 4.676 -0.401 312 2HB LYS 42 3HB LYS 42 -7.655 6.204 0.436 313 1HG LYS 42 2HG LYS 42 -6.903 7.030 -2.155 314 2HG LYS 42 3HG LYS 42 -7.864 5.616 -2.459 315 1HD LYS 42 2HD LYS 42 -8.656 8.018 -0.777 316 2HD LYS 42 3HD LYS 42 -9.180 7.688 -2.438 317 1HE LYS 42 2HE LYS 42 -10.306 5.575 -1.655 318 2HE LYS 42 3HE LYS 42 -9.843 5.946 0.011 319 1HZ LYS 42 1HZ LYS 42 -11.666 7.528 -1.660 320 2HZ LYS 42 2HZ LYS 42 -12.057 6.595 -0.360 321 3HZ LYS 42 3HZ LYS 42 -11.166 7.957 -0.151 322 H ILE 43 H ILE 43 -5.119 3.426 0.177 323 HA ILE 43 HA ILE 43 -3.371 3.194 -2.219 324 HB ILE 43 HB ILE 43 -2.084 2.865 -0.291 325 1HG1 ILE 43 2HG1 ILE 43 -1.760 1.248 -2.209 326 2HG1 ILE 43 3HG1 ILE 43 -1.017 0.859 -0.640 327 1HG2 ILE 43 1HG2 ILE 43 -2.489 1.083 1.364 328 2HG2 ILE 43 2HG2 ILE 43 -3.657 2.409 1.457 329 3HG2 ILE 43 3HG2 ILE 43 -4.120 0.871 0.715 330 1HD1 ILE 43 1HD1 ILE 43 -3.547 -0.445 -1.701 331 2HD1 ILE 43 2HD1 ILE 43 -1.904 -1.092 -1.746 332 3HD1 ILE 43 3HD1 ILE 43 -2.697 -0.822 -0.189 333 H THR 44 H THR 44 -4.229 2.218 -3.889 334 HA THR 44 HA THR 44 -6.554 0.406 -3.575 335 HB THR 44 HB THR 44 -5.287 1.559 -6.085 336 HG1 THR 44 1HG THR 44 -6.764 2.584 -4.225 337 1HG2 THR 44 1HG2 THR 44 -7.914 0.067 -5.660 338 2HG2 THR 44 2HG2 THR 44 -7.451 0.932 -7.136 339 3HG2 THR 44 3HG2 THR 44 -6.532 -0.489 -6.626 340 H VAL 45 H VAL 45 -6.461 -1.703 -4.089 341 HA VAL 45 HA VAL 45 -4.003 -2.864 -5.284 342 HB VAL 45 HB VAL 45 -5.614 -3.744 -2.898 343 1HG1 VAL 45 1HG1 VAL 45 -4.119 -5.582 -4.784 344 2HG1 VAL 45 2HG1 VAL 45 -4.503 -6.013 -3.110 345 3HG1 VAL 45 3HG1 VAL 45 -5.813 -5.719 -4.264 346 1HG2 VAL 45 1HG2 VAL 45 -3.365 -4.240 -1.983 347 2HG2 VAL 45 2HG2 VAL 45 -2.628 -3.836 -3.547 348 3HG2 VAL 45 3HG2 VAL 45 -3.442 -2.580 -2.596 349 H THR 46 H THR 46 -4.481 -4.324 -6.909 350 HA THR 46 HA THR 46 -7.239 -5.148 -7.383 351 HB THR 46 HB THR 46 -5.557 -3.519 -9.359 352 HG1 THR 46 1HG THR 46 -7.437 -3.122 -7.589 353 1HG2 THR 46 1HG2 THR 46 -8.173 -5.029 -9.848 354 2HG2 THR 46 2HG2 THR 46 -7.465 -3.823 -10.940 355 3HG2 THR 46 3HG2 THR 46 -6.616 -5.348 -10.648 356 H GLY 47 H GLY 47 -7.307 -7.096 -8.233 357 1HA GLY 47 1HA GLY 47 -5.855 -8.397 -9.954 358 2HA GLY 47 2HA GLY 47 -4.673 -8.449 -8.681 359 H GLU 48 H GLU 48 -4.948 -9.461 -6.769 360 HA GLU 48 HA GLU 48 -7.222 -10.865 -5.833 361 1HB GLU 48 2HB GLU 48 -6.473 -12.269 -7.927 362 2HB GLU 48 3HB GLU 48 -5.146 -12.805 -6.899 363 1HG GLU 48 2HG GLU 48 -6.824 -13.655 -5.258 364 2HG GLU 48 3HG GLU 48 -8.134 -13.011 -6.269 365 H ALA 49 H ALA 49 -5.869 -9.109 -4.410 366 HA ALA 49 HA ALA 49 -4.746 -10.802 -2.323 367 1HB ALA 49 1HB ALA 49 -3.097 -8.539 -3.531 368 2HB ALA 49 2HB ALA 49 -2.687 -9.460 -2.072 369 3HB ALA 49 3HB ALA 49 -2.720 -10.276 -3.646 370 H SER 50 H SER 50 -4.399 -9.576 -0.309 371 HA SER 50 HA SER 50 -6.399 -7.409 0.068 372 1HB SER 50 2HB SER 50 -5.288 -9.534 1.957 373 2HB SER 50 3HB SER 50 -6.439 -8.276 2.403 374 HG SER 50 HG SER 50 -7.799 -9.203 0.662 375 H ILE 51 H ILE 51 -5.784 -5.873 1.954 376 HA ILE 51 HA ILE 51 -3.364 -4.716 1.510 377 HB ILE 51 HB ILE 51 -5.328 -3.635 2.804 378 1HG1 ILE 51 2HG1 ILE 51 -3.884 -2.374 4.302 379 2HG1 ILE 51 3HG1 ILE 51 -2.529 -3.372 3.772 380 1HG2 ILE 51 1HG2 ILE 51 -5.493 -3.918 5.162 381 2HG2 ILE 51 2HG2 ILE 51 -5.564 -5.552 4.480 382 3HG2 ILE 51 3HG2 ILE 51 -4.060 -4.950 5.229 383 1HD1 ILE 51 1HD1 ILE 51 -3.285 -2.645 1.324 384 2HD1 ILE 51 2HD1 ILE 51 -4.253 -1.456 2.198 385 3HD1 ILE 51 3HD1 ILE 51 -2.493 -1.454 2.331 386 H GLN 52 H GLN 52 -4.004 -7.333 3.762 387 HA GLN 52 HA GLN 52 -1.973 -7.625 5.457 388 1HB GLN 52 2HB GLN 52 -2.854 -9.615 3.321 389 2HB GLN 52 3HB GLN 52 -1.795 -10.060 4.656 390 1HG GLN 52 2HG GLN 52 -4.582 -8.878 5.060 391 2HG GLN 52 3HG GLN 52 -4.230 -10.605 4.984 392 1HE2 GLN 52 1HE2 GLN 52 -4.916 -8.342 7.240 393 2HE2 GLN 52 2HE2 GLN 52 -3.904 -8.942 8.541 394 H GLN 53 H GLN 53 -1.498 -8.194 1.966 395 HA GLN 53 HA GLN 53 1.302 -8.848 2.099 396 1HB GLN 53 2HB GLN 53 -0.403 -7.771 -0.168 397 2HB GLN 53 3HB GLN 53 1.213 -8.462 -0.343 398 1HG GLN 53 2HG GLN 53 -0.554 -10.273 1.196 399 2HG GLN 53 3HG GLN 53 -1.263 -9.836 -0.352 400 1HE2 GLN 53 1HE2 GLN 53 -0.809 -11.401 -1.861 401 2HE2 GLN 53 2HE2 GLN 53 0.726 -12.229 -1.988 402 H VAL 54 H VAL 54 -0.440 -5.802 1.553 403 HA VAL 54 HA VAL 54 1.921 -4.189 1.015 404 HB VAL 54 HB VAL 54 -0.942 -3.304 1.637 405 1HG1 VAL 54 1HG1 VAL 54 -0.187 -1.304 0.274 406 2HG1 VAL 54 2HG1 VAL 54 0.441 -1.457 1.915 407 3HG1 VAL 54 3HG1 VAL 54 1.475 -1.871 0.543 408 1HG2 VAL 54 1HG2 VAL 54 0.343 -4.173 -0.962 409 2HG2 VAL 54 2HG2 VAL 54 -1.160 -4.742 -0.231 410 3HG2 VAL 54 3HG2 VAL 54 -1.078 -3.114 -0.901 411 H GLU 55 H GLU 55 -0.176 -4.939 3.794 412 HA GLU 55 HA GLU 55 0.741 -3.017 5.609 413 1HB GLU 55 2HB GLU 55 -1.298 -4.487 5.710 414 2HB GLU 55 3HB GLU 55 -0.269 -5.840 6.197 415 1HG GLU 55 2HG GLU 55 -0.010 -3.295 7.768 416 2HG GLU 55 3HG GLU 55 -1.544 -4.165 7.891 417 H GLN 56 H GLN 56 1.753 -6.424 5.000 418 HA GLN 56 HA GLN 56 3.941 -6.563 6.676 419 1HB GLN 56 2HB GLN 56 2.984 -8.389 5.329 420 2HB GLN 56 3HB GLN 56 3.762 -7.768 3.873 421 1HG GLN 56 2HG GLN 56 5.467 -8.334 6.314 422 2HG GLN 56 3HG GLN 56 4.800 -9.689 5.402 423 1HE2 GLN 56 1HE2 GLN 56 6.836 -10.457 4.684 424 2HE2 GLN 56 2HE2 GLN 56 7.747 -9.573 3.473 425 H ALA 57 H ALA 57 3.963 -5.234 3.298 426 HA ALA 57 HA ALA 57 6.673 -4.349 3.375 427 1HB ALA 57 1HB ALA 57 5.327 -4.401 1.313 428 2HB ALA 57 2HB ALA 57 4.339 -3.052 1.904 429 3HB ALA 57 3HB ALA 57 6.061 -2.804 1.604 430 H GLY 58 H GLY 58 3.656 -2.654 4.348 431 1HA GLY 58 1HA GLY 58 4.642 -0.160 5.008 432 2HA GLY 58 2HA GLY 58 3.197 -0.942 5.678 433 H ALA 59 H ALA 59 4.751 -3.214 6.838 434 HA ALA 59 HA ALA 59 5.412 -2.438 9.371 435 1HB ALA 59 1HB ALA 59 6.744 -4.414 9.589 436 2HB ALA 59 2HB ALA 59 5.395 -4.792 8.502 437 3HB ALA 59 3HB ALA 59 7.029 -4.502 7.847 438 H PHE 60 H PHE 60 7.492 -1.900 6.485 439 HA PHE 60 HA PHE 60 9.859 -1.281 7.854 440 1HB PHE 60 2HB PHE 60 10.678 -0.304 5.989 441 2HB PHE 60 3HB PHE 60 9.525 -1.466 5.345 442 HD1 PHE 60 1HD PHE 60 10.879 1.493 4.503 443 HD2 PHE 60 2HD PHE 60 6.952 -0.003 5.421 444 HE1 PHE 60 1HE PHE 60 9.887 3.044 2.851 445 HE2 PHE 60 2HE PHE 60 5.978 1.450 3.702 446 HZ PHE 60 HZ PHE 60 7.427 3.010 2.423 447 H GLU 61 H GLU 61 6.965 0.703 7.575 448 HA GLU 61 HA GLU 61 8.199 2.777 9.349 449 1HB GLU 61 2HB GLU 61 7.072 3.009 6.654 450 2HB GLU 61 3HB GLU 61 6.161 3.995 7.795 451 1HG GLU 61 2HG GLU 61 9.152 4.236 7.943 452 2HG GLU 61 3HG GLU 61 8.352 4.854 6.498 453 H HIS 62 H HIS 62 5.902 0.364 9.208 454 HA HIS 62 HA HIS 62 4.248 -0.271 10.600 455 1HB HIS 62 2HB HIS 62 5.215 1.980 12.415 456 2HB HIS 62 3HB HIS 62 4.100 0.693 12.858 457 HD1 HIS 62 1HD HIS 62 6.524 -1.227 11.020 458 HD2 HIS 62 2HD HIS 62 6.500 0.848 14.680 459 HE1 HIS 62 1HE HIS 62 8.238 -2.352 12.492 460 H LEU 63 H LEU 63 3.145 0.911 8.510 461 HA LEU 63 HA LEU 63 1.580 3.257 9.409 462 1HB LEU 63 2HB LEU 63 1.491 1.782 6.761 463 2HB LEU 63 3HB LEU 63 0.699 3.302 7.170 464 HG LEU 63 HG LEU 63 2.502 4.013 6.034 465 1HD1 LEU 63 1HD1 LEU 63 3.578 4.098 8.894 466 2HD1 LEU 63 2HD1 LEU 63 4.042 5.166 7.593 467 3HD1 LEU 63 3HD1 LEU 63 2.372 5.196 8.192 468 1HD2 LEU 63 1HD2 LEU 63 3.702 1.746 6.038 469 2HD2 LEU 63 2HD2 LEU 63 4.722 3.191 6.000 470 3HD2 LEU 63 3HD2 LEU 63 4.513 2.288 7.506 471 H LYS 64 H LYS 64 -0.739 3.401 9.014 472 HA LYS 64 HA LYS 64 -2.067 1.011 10.257 473 1HB LYS 64 2HB LYS 64 -3.510 2.777 11.352 474 2HB LYS 64 3HB LYS 64 -1.891 2.553 11.997 475 1HG LYS 64 2HG LYS 64 -2.377 4.698 9.918 476 2HG LYS 64 3HG LYS 64 -2.863 4.982 11.580 477 1HD LYS 64 2HD LYS 64 -0.082 3.898 11.190 478 2HD LYS 64 3HD LYS 64 -0.348 5.518 10.620 479 1HE LYS 64 2HE LYS 64 -1.221 4.682 13.419 480 2HE LYS 64 3HE LYS 64 0.482 5.010 13.081 481 1HZ LYS 64 1HZ LYS 64 -0.658 6.952 13.887 482 2HZ LYS 64 2HZ LYS 64 -0.068 7.194 12.375 483 3HZ LYS 64 3HZ LYS 64 -1.680 6.946 12.595 484 H ILE 65 H ILE 65 -2.350 0.460 7.957 485 HA ILE 65 HA ILE 65 -4.078 2.192 6.413 486 HB ILE 65 HB ILE 65 -3.416 -0.643 5.645 487 1HG1 ILE 65 2HG1 ILE 65 -1.572 1.688 5.799 488 2HG1 ILE 65 3HG1 ILE 65 -1.332 -0.085 5.955 489 1HG2 ILE 65 1HG2 ILE 65 -4.118 1.850 4.068 490 2HG2 ILE 65 2HG2 ILE 65 -3.677 0.303 3.368 491 3HG2 ILE 65 3HG2 ILE 65 -5.140 0.441 4.342 492 1HD1 ILE 65 1HD1 ILE 65 -0.104 0.911 4.112 493 2HD1 ILE 65 2HD1 ILE 65 -1.230 -0.335 3.592 494 3HD1 ILE 65 3HD1 ILE 65 -1.606 1.398 3.344 495 H ILE 66 H ILE 66 -6.247 2.236 6.530 496 HA ILE 66 HA ILE 66 -7.697 0.127 8.019 497 HB ILE 66 HB ILE 66 -8.614 2.895 7.207 498 1HG1 ILE 66 2HG1 ILE 66 -6.764 3.245 8.679 499 2HG1 ILE 66 3HG1 ILE 66 -8.258 3.536 9.558 500 1HG2 ILE 66 1HG2 ILE 66 -10.469 1.371 7.613 501 2HG2 ILE 66 2HG2 ILE 66 -9.755 0.835 9.143 502 3HG2 ILE 66 3HG2 ILE 66 -10.334 2.504 8.962 503 1HD1 ILE 66 1HD1 ILE 66 -8.049 1.286 10.640 504 2HD1 ILE 66 2HD1 ILE 66 -6.506 1.044 9.784 505 3HD1 ILE 66 3HD1 ILE 66 -6.669 2.349 10.963 506 HA PRO 67 HA PRO 67 -9.144 -0.847 3.819 507 1HB PRO 67 2HB PRO 67 -10.204 -3.330 4.241 508 2HB PRO 67 3HB PRO 67 -8.445 -3.036 4.146 509 1HG PRO 67 2HG PRO 67 -10.135 -3.230 6.646 510 2HG PRO 67 3HG PRO 67 -8.600 -4.078 6.292 511 1HD PRO 67 2HD PRO 67 -8.677 -1.794 7.755 512 2HD PRO 67 3HD PRO 67 -7.337 -2.102 6.605 513 H GLU 68 H GLU 68 -10.493 0.987 4.163 514 HA GLU 68 HA GLU 68 -12.950 1.173 5.300 515 1HB GLU 68 2HB GLU 68 -11.438 2.754 3.765 516 2HB GLU 68 3HB GLU 68 -12.482 2.164 2.464 517 1HG GLU 68 2HG GLU 68 -14.428 3.027 3.692 518 2HG GLU 68 3HG GLU 68 -13.387 3.502 5.048 519 H LYS 69 H LYS 69 -14.944 0.298 4.972 520 HA LYS 69 HA LYS 69 -16.741 -0.655 4.041 521 1HB LYS 69 2HB LYS 69 -15.743 0.631 1.951 522 2HB LYS 69 3HB LYS 69 -15.475 -0.987 1.318 523 1HG LYS 69 2HG LYS 69 -18.099 0.289 2.199 524 2HG LYS 69 3HG LYS 69 -17.547 -0.034 0.553 525 1HD LYS 69 2HD LYS 69 -17.512 -2.560 1.251 526 2HD LYS 69 3HD LYS 69 -18.377 -2.043 2.699 527 1HE LYS 69 2HE LYS 69 -20.060 -2.752 1.184 528 2HE LYS 69 3HE LYS 69 -20.137 -0.984 1.193 529 1HZ LYS 69 1HZ LYS 69 -20.236 -1.875 -1.027 530 2HZ LYS 69 2HZ LYS 69 -18.842 -1.019 -0.861 531 3HZ LYS 69 3HZ LYS 69 -18.806 -2.664 -0.836 532 H GLU 70 H GLU 70 -16.023 -2.343 5.569 533 HA GLU 70 HA GLU 70 -15.355 -4.942 4.263 534 1HB GLU 70 2HB GLU 70 -13.753 -3.630 5.998 535 2HB GLU 70 3HB GLU 70 -14.832 -4.376 7.186 536 1HG GLU 70 2HG GLU 70 -13.284 -5.871 5.014 537 2HG GLU 70 3HG GLU 70 -12.730 -5.646 6.678 538 H ALA 71 H ALA 71 -17.060 -6.440 4.471 539 HA ALA 71 HA ALA 71 -18.795 -6.798 6.575 540 1HB ALA 71 1HB ALA 71 -19.855 -4.602 6.075 541 2HB ALA 71 2HB ALA 71 -19.979 -5.054 4.355 542 3HB ALA 71 3HB ALA 71 -20.921 -5.925 5.581 Start of MODEL 5 1 1H MET 1 H1 MET 1 -18.742 -6.187 -8.275 2 2H MET 1 H2 MET 1 -18.831 -6.499 -6.663 3 3H MET 1 H3 MET 1 -17.414 -5.943 -7.320 4 HA MET 1 HA MET 1 -17.395 -8.322 -6.822 5 1HB MET 1 2HB MET 1 -18.656 -9.802 -8.335 6 2HB MET 1 3HB MET 1 -19.677 -8.871 -7.240 7 1HG MET 1 2HG MET 1 -19.259 -8.244 -10.194 8 2HG MET 1 3HG MET 1 -20.641 -9.067 -9.503 9 1HE MET 1 1HE MET 1 -21.649 -5.385 -10.827 10 2HE MET 1 2HE MET 1 -20.190 -6.246 -11.369 11 3HE MET 1 3HE MET 1 -21.737 -7.118 -11.220 12 H ALA 2 H ALA 2 -15.329 -7.244 -7.392 13 HA ALA 2 HA ALA 2 -14.182 -8.401 -9.692 14 1HB ALA 2 1HB ALA 2 -14.509 -5.353 -9.705 15 2HB ALA 2 2HB ALA 2 -13.438 -6.280 -10.777 16 3HB ALA 2 3HB ALA 2 -15.193 -6.477 -10.903 17 H GLU 3 H GLU 3 -11.891 -8.226 -9.456 18 HA GLU 3 HA GLU 3 -11.210 -8.163 -6.681 19 1HB GLU 3 2HB GLU 3 -9.597 -8.876 -9.164 20 2HB GLU 3 3HB GLU 3 -9.155 -9.219 -7.487 21 1HG GLU 3 2HG GLU 3 -10.072 -11.211 -8.522 22 2HG GLU 3 3HG GLU 3 -11.113 -10.669 -7.202 23 H LYS 4 H LYS 4 -11.729 -5.682 -7.055 24 HA LYS 4 HA LYS 4 -9.154 -4.192 -7.023 25 1HB LYS 4 2HB LYS 4 -10.454 -2.179 -7.650 26 2HB LYS 4 3HB LYS 4 -10.316 -3.367 -8.935 27 1HG LYS 4 2HG LYS 4 -12.510 -3.637 -9.134 28 2HG LYS 4 3HG LYS 4 -12.795 -3.842 -7.416 29 1HD LYS 4 2HD LYS 4 -12.404 -1.129 -8.750 30 2HD LYS 4 3HD LYS 4 -13.975 -1.903 -8.482 31 1HE LYS 4 2HE LYS 4 -13.515 -1.983 -6.015 32 2HE LYS 4 3HE LYS 4 -12.003 -1.108 -6.279 33 1HZ LYS 4 1HZ LYS 4 -13.295 0.738 -7.130 34 2HZ LYS 4 2HZ LYS 4 -14.703 -0.076 -6.882 35 3HZ LYS 4 3HZ LYS 4 -13.773 0.356 -5.609 36 H THR 5 H THR 5 -8.795 -3.108 -5.096 37 HA THR 5 HA THR 5 -11.098 -2.409 -3.411 38 HB THR 5 HB THR 5 -8.867 -4.219 -2.326 39 HG1 THR 5 1HG THR 5 -11.297 -4.493 -3.390 40 1HG2 THR 5 1HG2 THR 5 -10.293 -4.238 -0.256 41 2HG2 THR 5 2HG2 THR 5 -9.618 -2.630 -0.547 42 3HG2 THR 5 3HG2 THR 5 -11.314 -2.971 -0.953 43 H VAL 6 H VAL 6 -10.539 -0.745 -1.903 44 HA VAL 6 HA VAL 6 -7.799 -0.013 -2.013 45 HB VAL 6 HB VAL 6 -8.733 1.374 -3.683 46 1HG1 VAL 6 1HG1 VAL 6 -11.074 1.141 -3.364 47 2HG1 VAL 6 2HG1 VAL 6 -11.023 2.165 -1.900 48 3HG1 VAL 6 3HG1 VAL 6 -10.629 2.839 -3.508 49 1HG2 VAL 6 1HG2 VAL 6 -7.295 2.699 -2.084 50 2HG2 VAL 6 2HG2 VAL 6 -8.512 3.688 -2.895 51 3HG2 VAL 6 3HG2 VAL 6 -8.764 3.181 -1.212 52 H TYR 7 H TYR 7 -6.968 1.024 -0.239 53 HA TYR 7 HA TYR 7 -8.651 0.776 2.217 54 1HB TYR 7 2HB TYR 7 -5.742 -0.031 1.934 55 2HB TYR 7 3HB TYR 7 -6.818 -0.291 3.302 56 HD1 TYR 7 HD1 TYR 7 -7.718 -2.416 3.608 57 HD2 TYR 7 HD2 TYR 7 -6.238 -1.309 -0.276 58 HE1 TYR 7 HE1 TYR 7 -8.145 -4.715 2.787 59 HE2 TYR 7 HE2 TYR 7 -6.660 -3.599 -1.091 60 HH TYR 7 HH TYR 7 -7.589 -5.675 -0.596 61 H ARG 8 H ARG 8 -8.183 2.388 3.783 62 HA ARG 8 HA ARG 8 -6.905 4.785 2.682 63 1HB ARG 8 2HB ARG 8 -9.195 4.488 3.971 64 2HB ARG 8 3HB ARG 8 -8.173 4.524 5.419 65 1HG ARG 8 2HG ARG 8 -7.216 6.688 4.530 66 2HG ARG 8 3HG ARG 8 -8.359 6.586 3.180 67 1HD ARG 8 2HD ARG 8 -10.272 6.793 4.552 68 2HD ARG 8 3HD ARG 8 -9.409 6.472 6.044 69 HE ARG 8 HE ARG 8 -9.798 8.997 4.761 70 1HH1 ARG 8 2HH2 ARG 8 -7.424 7.182 6.632 71 2HH1 ARG 8 1HH2 ARG 8 -6.550 8.564 7.234 72 1HH2 ARG 8 2HH1 ARG 8 -8.718 10.902 5.628 73 2HH2 ARG 8 1HH1 ARG 8 -7.360 10.689 6.704 74 H VAL 9 H VAL 9 -4.825 5.445 3.351 75 HA VAL 9 HA VAL 9 -3.477 3.868 5.504 76 HB VAL 9 HB VAL 9 -2.400 3.163 3.530 77 1HG1 VAL 9 1HG1 VAL 9 -2.404 6.072 2.582 78 2HG1 VAL 9 2HG1 VAL 9 -1.510 4.753 1.802 79 3HG1 VAL 9 3HG1 VAL 9 -3.267 4.699 1.855 80 1HG2 VAL 9 1HG2 VAL 9 -0.747 5.529 4.440 81 2HG2 VAL 9 2HG2 VAL 9 -0.867 3.983 5.323 82 3HG2 VAL 9 3HG2 VAL 9 -0.185 4.025 3.687 83 H ASP 10 H ASP 10 -2.168 5.110 6.943 84 HA ASP 10 HA ASP 10 -2.318 8.019 6.645 85 1HB ASP 10 2HB ASP 10 -4.323 6.682 8.132 86 2HB ASP 10 3HB ASP 10 -3.163 7.166 9.355 87 H GLY 11 H GLY 11 -1.377 9.046 8.627 88 1HA GLY 11 1HA GLY 11 0.555 9.474 9.860 89 2HA GLY 11 2HA GLY 11 0.507 7.757 10.284 90 H LEU 12 H LEU 12 1.252 9.648 7.287 91 HA LEU 12 HA LEU 12 4.040 9.023 7.319 92 1HB LEU 12 2HB LEU 12 4.041 7.801 5.127 93 2HB LEU 12 3HB LEU 12 3.469 6.904 6.522 94 HG LEU 12 HG LEU 12 1.090 7.281 5.780 95 1HD1 LEU 12 1HD1 LEU 12 1.163 9.172 4.271 96 2HD1 LEU 12 2HD1 LEU 12 2.491 8.452 3.333 97 3HD1 LEU 12 3HD1 LEU 12 0.851 7.775 3.267 98 1HD2 LEU 12 1HD2 LEU 12 1.689 5.235 5.382 99 2HD2 LEU 12 2HD2 LEU 12 1.507 5.715 3.701 100 3HD2 LEU 12 3HD2 LEU 12 3.130 5.636 4.420 101 H SER 13 H SER 13 5.048 10.085 5.323 102 HA SER 13 HA SER 13 3.492 11.696 3.540 103 1HB SER 13 2HB SER 13 4.108 13.935 4.449 104 2HB SER 13 3HB SER 13 2.998 13.091 5.524 105 HG SER 13 HG SER 13 5.823 13.217 5.753 106 H CYS 14 H CYS 14 5.297 10.120 2.564 107 HA CYS 14 HA CYS 14 7.517 11.886 1.799 108 1HB CYS 14 2HB CYS 14 8.464 10.937 3.817 109 2HB CYS 14 3HB CYS 14 7.997 9.298 3.321 110 HG CYS 14 HG CYS 14 10.530 9.534 3.016 111 H THR 15 H THR 15 7.764 11.686 -0.353 112 HA THR 15 HA THR 15 6.480 9.813 -1.925 113 HB THR 15 HB THR 15 9.037 11.297 -2.650 114 HG1 THR 15 1HG THR 15 6.380 12.281 -2.620 115 1HG2 THR 15 1HG2 THR 15 8.169 9.803 -4.416 116 2HG2 THR 15 2HG2 THR 15 6.555 10.524 -4.266 117 3HG2 THR 15 3HG2 THR 15 7.916 11.500 -4.857 118 H ASN 16 H ASN 16 9.918 9.716 -0.749 119 HA ASN 16 HA ASN 16 10.640 7.426 -2.175 120 1HB ASN 16 2HB ASN 16 11.648 8.556 0.455 121 2HB ASN 16 3HB ASN 16 12.260 7.039 -0.199 122 1HD2 ASN 16 1HD2 ASN 16 12.690 10.445 -0.333 123 2HD2 ASN 16 2HD2 ASN 16 13.699 10.440 -1.768 124 H CYS 17 H CYS 17 9.071 7.744 1.030 125 HA CYS 17 HA CYS 17 8.953 4.935 1.584 126 1HB CYS 17 2HB CYS 17 7.224 7.243 2.572 127 2HB CYS 17 3HB CYS 17 7.060 5.562 3.081 128 HG CYS 17 HG CYS 17 8.369 6.737 4.960 129 H ALA 18 H ALA 18 6.643 7.175 -0.027 130 HA ALA 18 HA ALA 18 4.606 5.325 -0.617 131 1HB ALA 18 1HB ALA 18 3.873 6.844 -2.276 132 2HB ALA 18 2HB ALA 18 4.659 7.865 -1.050 133 3HB ALA 18 3HB ALA 18 5.492 7.489 -2.562 134 H ALA 19 H ALA 19 7.555 6.089 -2.422 135 HA ALA 19 HA ALA 19 7.088 4.474 -4.717 136 1HB ALA 19 1HB ALA 19 9.746 5.363 -3.513 137 2HB ALA 19 2HB ALA 19 9.479 4.765 -5.158 138 3HB ALA 19 3HB ALA 19 8.745 6.296 -4.643 139 H LYS 20 H LYS 20 9.030 3.898 -1.760 140 HA LYS 20 HA LYS 20 9.757 1.222 -2.252 141 1HB LYS 20 2HB LYS 20 10.616 2.694 -0.422 142 2HB LYS 20 3HB LYS 20 9.086 2.479 0.450 143 1HG LYS 20 2HG LYS 20 9.477 0.043 0.569 144 2HG LYS 20 3HG LYS 20 10.928 0.228 -0.428 145 1HD LYS 20 2HD LYS 20 11.168 2.055 1.799 146 2HD LYS 20 3HD LYS 20 10.610 0.541 2.473 147 1HE LYS 20 2HE LYS 20 13.071 0.921 0.699 148 2HE LYS 20 3HE LYS 20 13.080 0.710 2.454 149 1HZ LYS 20 1HZ LYS 20 12.142 -1.482 2.147 150 2HZ LYS 20 2HZ LYS 20 12.140 -1.307 0.513 151 3HZ LYS 20 3HZ LYS 20 13.563 -1.341 1.334 152 H PHE 21 H PHE 21 6.802 2.585 -0.744 153 HA PHE 21 HA PHE 21 5.547 0.132 -0.163 154 1HB PHE 21 2HB PHE 21 4.890 2.742 0.238 155 2HB PHE 21 3HB PHE 21 3.812 2.392 -1.087 156 HD1 PHE 21 1HD PHE 21 5.009 0.820 2.125 157 HD2 PHE 21 2HD PHE 21 1.627 1.728 -0.380 158 HE1 PHE 21 1HE PHE 21 3.546 0.822 4.097 159 HE2 PHE 21 2HE PHE 21 0.155 1.686 1.606 160 HZ PHE 21 HZ PHE 21 1.186 1.542 3.874 161 H GLU 22 H GLU 22 4.937 2.191 -3.148 162 HA GLU 22 HA GLU 22 3.221 0.185 -4.192 163 1HB GLU 22 2HB GLU 22 3.241 1.244 -6.258 164 2HB GLU 22 3HB GLU 22 3.157 2.505 -5.026 165 1HG GLU 22 2HG GLU 22 5.336 3.269 -5.487 166 2HG GLU 22 3HG GLU 22 5.778 1.820 -6.403 167 H ARG 23 H ARG 23 6.678 0.678 -4.626 168 HA ARG 23 HA ARG 23 7.082 -1.420 -6.526 169 1HB ARG 23 2HB ARG 23 8.732 0.316 -5.987 170 2HB ARG 23 3HB ARG 23 9.000 -0.385 -4.381 171 1HG ARG 23 2HG ARG 23 9.997 -2.348 -5.275 172 2HG ARG 23 3HG ARG 23 9.296 -2.084 -6.876 173 1HD ARG 23 2HD ARG 23 10.773 -0.053 -7.169 174 2HD ARG 23 3HD ARG 23 11.442 -0.355 -5.569 175 HE ARG 23 HE ARG 23 12.781 -2.001 -6.391 176 1HH1 ARG 23 2HH2 ARG 23 10.203 -1.450 -8.717 177 2HH1 ARG 23 1HH2 ARG 23 10.842 -2.502 -9.944 178 1HH2 ARG 23 2HH1 ARG 23 13.673 -3.416 -7.978 179 2HH2 ARG 23 1HH1 ARG 23 12.890 -3.630 -9.510 180 H ASN 24 H ASN 24 7.226 -1.512 -2.903 181 HA ASN 24 HA ASN 24 7.692 -4.282 -2.598 182 1HB ASN 24 2HB ASN 24 5.930 -2.425 -0.922 183 2HB ASN 24 3HB ASN 24 6.290 -4.094 -0.538 184 1HD2 ASN 24 1HD2 ASN 24 6.771 -2.380 1.355 185 2HD2 ASN 24 2HD2 ASN 24 8.491 -2.284 1.631 186 H VAL 25 H VAL 25 4.553 -2.524 -2.935 187 HA VAL 25 HA VAL 25 2.951 -4.843 -2.939 188 HB VAL 25 HB VAL 25 2.332 -2.234 -4.399 189 1HG1 VAL 25 1HG1 VAL 25 -0.040 -2.971 -3.890 190 2HG1 VAL 25 2HG1 VAL 25 0.796 -3.940 -5.107 191 3HG1 VAL 25 3HG1 VAL 25 0.592 -4.551 -3.450 192 1HG2 VAL 25 1HG2 VAL 25 0.909 -2.052 -2.121 193 2HG2 VAL 25 2HG2 VAL 25 2.247 -3.058 -1.516 194 3HG2 VAL 25 3HG2 VAL 25 2.550 -1.465 -2.221 195 H LYS 26 H LYS 26 4.385 -3.153 -5.760 196 HA LYS 26 HA LYS 26 3.464 -4.870 -7.786 197 1HB LYS 26 2HB LYS 26 5.800 -3.027 -7.359 198 2HB LYS 26 3HB LYS 26 5.759 -3.986 -8.815 199 1HG LYS 26 2HG LYS 26 3.703 -3.003 -9.526 200 2HG LYS 26 3HG LYS 26 3.419 -2.232 -7.946 201 1HD LYS 26 2HD LYS 26 5.160 -0.641 -8.240 202 2HD LYS 26 3HD LYS 26 5.972 -1.659 -9.421 203 1HE LYS 26 2HE LYS 26 5.125 0.170 -10.665 204 2HE LYS 26 3HE LYS 26 4.073 -1.196 -11.057 205 1HZ LYS 26 1HZ LYS 26 3.527 1.051 -9.212 206 2HZ LYS 26 2HZ LYS 26 2.795 0.764 -10.643 207 3HZ LYS 26 3HZ LYS 26 2.516 -0.242 -9.370 208 H GLU 27 H GLU 27 6.230 -5.339 -5.507 209 HA GLU 27 HA GLU 27 7.162 -7.718 -6.836 210 1HB GLU 27 2HB GLU 27 7.552 -6.735 -3.988 211 2HB GLU 27 3HB GLU 27 8.342 -8.152 -4.671 212 1HG GLU 27 2HG GLU 27 9.428 -6.821 -6.398 213 2HG GLU 27 3HG GLU 27 8.605 -5.356 -5.855 214 H ILE 28 H ILE 28 4.249 -7.273 -4.957 215 HA ILE 28 HA ILE 28 4.218 -9.993 -3.904 216 HB ILE 28 HB ILE 28 1.955 -8.097 -4.256 217 1HG1 ILE 28 2HG1 ILE 28 3.458 -8.521 -1.642 218 2HG1 ILE 28 3HG1 ILE 28 3.834 -7.205 -2.761 219 1HG2 ILE 28 1HG2 ILE 28 1.037 -10.247 -3.890 220 2HG2 ILE 28 2HG2 ILE 28 2.255 -10.655 -2.658 221 3HG2 ILE 28 3HG2 ILE 28 0.960 -9.505 -2.310 222 1HD1 ILE 28 1HD1 ILE 28 2.334 -6.328 -1.095 223 2HD1 ILE 28 2HD1 ILE 28 1.481 -6.424 -2.657 224 3HD1 ILE 28 3HD1 ILE 28 1.144 -7.595 -1.410 225 H GLU 29 H GLU 29 4.078 -11.577 -5.275 226 HA GLU 29 HA GLU 29 3.242 -11.763 -7.896 227 1HB GLU 29 2HB GLU 29 3.582 -13.664 -5.556 228 2HB GLU 29 3HB GLU 29 2.886 -14.268 -7.040 229 1HG GLU 29 2HG GLU 29 5.501 -12.732 -7.122 230 2HG GLU 29 3HG GLU 29 5.449 -14.464 -6.749 231 H GLY 30 H GLY 30 1.320 -11.850 -5.079 232 1HA GLY 30 1HA GLY 30 -1.107 -12.968 -6.166 233 2HA GLY 30 2HA GLY 30 -0.967 -12.025 -4.678 234 H VAL 31 H VAL 31 0.265 -9.660 -6.397 235 HA VAL 31 HA VAL 31 -2.411 -8.575 -7.001 236 HB VAL 31 HB VAL 31 -0.575 -7.631 -5.324 237 1HG1 VAL 31 1HG1 VAL 31 0.132 -6.106 -7.865 238 2HG1 VAL 31 2HG1 VAL 31 0.756 -5.879 -6.226 239 3HG1 VAL 31 3HG1 VAL 31 1.183 -7.333 -7.130 240 1HG2 VAL 31 1HG2 VAL 31 -1.590 -5.449 -5.578 241 2HG2 VAL 31 2HG2 VAL 31 -2.237 -5.903 -7.171 242 3HG2 VAL 31 3HG2 VAL 31 -2.804 -6.745 -5.713 243 H THR 32 H THR 32 -2.547 -7.042 -8.863 244 HA THR 32 HA THR 32 -0.773 -7.805 -11.128 245 HB THR 32 HB THR 32 -3.648 -6.845 -11.331 246 HG1 THR 32 1HG THR 32 -3.992 -9.048 -11.914 247 1HG2 THR 32 1HG2 THR 32 -3.405 -7.595 -13.672 248 2HG2 THR 32 2HG2 THR 32 -2.269 -6.291 -13.288 249 3HG2 THR 32 3HG2 THR 32 -1.692 -7.969 -13.375 250 H GLU 33 H GLU 33 -2.853 -5.123 -9.807 251 HA GLU 33 HA GLU 33 -0.472 -3.360 -10.097 252 1HB GLU 33 2HB GLU 33 -3.242 -2.655 -11.197 253 2HB GLU 33 3HB GLU 33 -1.893 -1.533 -10.973 254 1HG GLU 33 2HG GLU 33 -0.535 -3.193 -12.463 255 2HG GLU 33 3HG GLU 33 -2.123 -3.801 -12.958 256 H ALA 34 H ALA 34 -0.713 -1.367 -8.819 257 HA ALA 34 HA ALA 34 -2.939 -1.219 -6.962 258 1HB ALA 34 1HB ALA 34 -0.064 -1.695 -6.031 259 2HB ALA 34 2HB ALA 34 -1.376 -1.179 -4.958 260 3HB ALA 34 3HB ALA 34 -1.457 -2.768 -5.750 261 H ILE 35 H ILE 35 -3.231 0.948 -6.329 262 HA ILE 35 HA ILE 35 -1.194 2.877 -7.453 263 HB ILE 35 HB ILE 35 -4.141 3.467 -7.230 264 1HG1 ILE 35 2HG1 ILE 35 -3.962 1.699 -8.895 265 2HG1 ILE 35 3HG1 ILE 35 -4.330 3.251 -9.634 266 1HG2 ILE 35 1HG2 ILE 35 -2.616 5.391 -7.152 267 2HG2 ILE 35 2HG2 ILE 35 -1.850 4.879 -8.652 268 3HG2 ILE 35 3HG2 ILE 35 -3.557 5.373 -8.652 269 1HD1 ILE 35 1HD1 ILE 35 -1.988 3.483 -10.404 270 2HD1 ILE 35 2HD1 ILE 35 -1.576 1.938 -9.633 271 3HD1 ILE 35 3HD1 ILE 35 -2.723 1.982 -10.975 272 H VAL 36 H VAL 36 -0.010 3.327 -5.687 273 HA VAL 36 HA VAL 36 -1.216 3.703 -3.036 274 HB VAL 36 HB VAL 36 1.612 4.025 -4.089 275 1HG1 VAL 36 1HG1 VAL 36 0.531 4.016 -1.253 276 2HG1 VAL 36 2HG1 VAL 36 2.257 3.972 -1.686 277 3HG1 VAL 36 3HG1 VAL 36 1.297 5.391 -2.091 278 1HG2 VAL 36 1HG2 VAL 36 2.133 1.938 -2.999 279 2HG2 VAL 36 2HG2 VAL 36 0.498 1.755 -2.417 280 3HG2 VAL 36 3HG2 VAL 36 0.824 1.647 -4.159 281 H ASN 37 H ASN 37 -2.151 5.705 -2.510 282 HA ASN 37 HA ASN 37 -0.835 8.173 -3.607 283 1HB ASN 37 2HB ASN 37 -3.725 7.814 -2.757 284 2HB ASN 37 3HB ASN 37 -2.938 9.305 -3.284 285 1HD2 ASN 37 1HD2 ASN 37 -3.849 5.991 -4.362 286 2HD2 ASN 37 2HD2 ASN 37 -4.031 6.459 -6.045 287 H PHE 38 H PHE 38 0.640 8.443 -2.033 288 HA PHE 38 HA PHE 38 -0.003 8.289 0.850 289 1HB PHE 38 2HB PHE 38 2.445 8.587 -0.886 290 2HB PHE 38 3HB PHE 38 2.557 9.247 0.715 291 HD1 PHE 38 1HD PHE 38 4.324 7.801 1.436 292 HD2 PHE 38 2HD PHE 38 0.522 6.176 0.156 293 HE1 PHE 38 1HE PHE 38 4.889 5.618 2.443 294 HE2 PHE 38 2HE PHE 38 1.115 4.032 1.161 295 HZ PHE 38 HZ PHE 38 3.327 3.711 2.257 296 H GLY 39 H GLY 39 1.417 10.333 1.942 297 1HA GLY 39 1HA GLY 39 1.538 12.621 2.262 298 2HA GLY 39 2HA GLY 39 0.575 12.914 0.806 299 H ALA 40 H ALA 40 -1.711 11.863 0.996 300 HA ALA 40 HA ALA 40 -2.998 11.597 3.549 301 1HB ALA 40 1HB ALA 40 -2.672 14.027 3.777 302 2HB ALA 40 2HB ALA 40 -3.329 14.297 2.152 303 3HB ALA 40 3HB ALA 40 -4.376 13.692 3.452 304 H SER 41 H SER 41 -3.486 9.706 2.034 305 HA SER 41 HA SER 41 -6.022 10.103 0.733 306 1HB SER 41 2HB SER 41 -3.553 9.904 -0.984 307 2HB SER 41 3HB SER 41 -5.097 9.212 -1.538 308 HG SER 41 HG SER 41 -4.967 11.847 -0.596 309 H LYS 42 H LYS 42 -4.312 7.516 -0.734 310 HA LYS 42 HA LYS 42 -5.160 5.534 1.123 311 1HB LYS 42 2HB LYS 42 -7.162 4.731 -0.079 312 2HB LYS 42 3HB LYS 42 -7.332 6.304 0.692 313 1HG LYS 42 2HG LYS 42 -6.610 7.089 -1.853 314 2HG LYS 42 3HG LYS 42 -7.448 5.588 -2.204 315 1HD LYS 42 2HD LYS 42 -8.475 7.968 -0.600 316 2HD LYS 42 3HD LYS 42 -8.969 7.535 -2.244 317 1HE LYS 42 2HE LYS 42 -10.041 5.457 -1.426 318 2HE LYS 42 3HE LYS 42 -9.445 5.745 0.209 319 1HZ LYS 42 1HZ LYS 42 -11.517 7.305 -1.150 320 2HZ LYS 42 2HZ LYS 42 -11.573 6.371 0.222 321 3HZ LYS 42 3HZ LYS 42 -10.773 7.765 0.264 322 H ILE 43 H ILE 43 -5.138 3.344 0.072 323 HA ILE 43 HA ILE 43 -3.246 3.257 -2.225 324 HB ILE 43 HB ILE 43 -2.012 2.883 -0.285 325 1HG1 ILE 43 2HG1 ILE 43 -1.543 1.401 -2.189 326 2HG1 ILE 43 3HG1 ILE 43 -0.992 0.791 -0.606 327 1HG2 ILE 43 1HG2 ILE 43 -3.628 2.419 1.411 328 2HG2 ILE 43 2HG2 ILE 43 -4.045 0.863 0.681 329 3HG2 ILE 43 3HG2 ILE 43 -2.431 1.134 1.369 330 1HD1 ILE 43 1HD1 ILE 43 -3.086 -0.692 -0.633 331 2HD1 ILE 43 2HD1 ILE 43 -3.222 -0.245 -2.339 332 3HD1 ILE 43 3HD1 ILE 43 -1.778 -1.069 -1.764 333 H THR 44 H THR 44 -4.284 2.517 -3.917 334 HA THR 44 HA THR 44 -6.531 0.614 -3.645 335 HB THR 44 HB THR 44 -5.358 2.097 -5.997 336 HG1 THR 44 1HG THR 44 -7.539 2.828 -5.947 337 1HG2 THR 44 1HG2 THR 44 -6.188 -0.036 -6.897 338 2HG2 THR 44 2HG2 THR 44 -7.693 0.140 -5.964 339 3HG2 THR 44 3HG2 THR 44 -7.313 1.250 -7.295 340 H VAL 45 H VAL 45 -6.519 -1.338 -4.593 341 HA VAL 45 HA VAL 45 -3.967 -2.648 -5.403 342 HB VAL 45 HB VAL 45 -6.059 -3.619 -3.442 343 1HG1 VAL 45 1HG1 VAL 45 -5.080 -5.495 -4.786 344 2HG1 VAL 45 2HG1 VAL 45 -3.457 -4.939 -4.307 345 3HG1 VAL 45 3HG1 VAL 45 -4.575 -5.581 -3.093 346 1HG2 VAL 45 1HG2 VAL 45 -4.680 -2.040 -2.277 347 2HG2 VAL 45 2HG2 VAL 45 -4.162 -3.648 -1.770 348 3HG2 VAL 45 3HG2 VAL 45 -3.192 -2.752 -2.958 349 H THR 46 H THR 46 -4.372 -3.967 -7.221 350 HA THR 46 HA THR 46 -7.140 -4.751 -7.884 351 HB THR 46 HB THR 46 -5.325 -3.127 -9.749 352 HG1 THR 46 1HG THR 46 -7.134 -2.767 -7.901 353 1HG2 THR 46 1HG2 THR 46 -7.334 -3.186 -11.252 354 2HG2 THR 46 2HG2 THR 46 -6.639 -4.803 -11.049 355 3HG2 THR 46 3HG2 THR 46 -8.112 -4.352 -10.160 356 H GLY 47 H GLY 47 -6.800 -6.858 -7.789 357 1HA GLY 47 1HA GLY 47 -5.190 -8.084 -9.798 358 2HA GLY 47 2HA GLY 47 -4.210 -7.986 -8.352 359 H GLU 48 H GLU 48 -4.422 -9.480 -6.798 360 HA GLU 48 HA GLU 48 -6.922 -10.649 -6.025 361 1HB GLU 48 2HB GLU 48 -6.006 -12.057 -8.082 362 2HB GLU 48 3HB GLU 48 -4.857 -12.699 -6.909 363 1HG GLU 48 2HG GLU 48 -6.831 -13.391 -5.486 364 2HG GLU 48 3HG GLU 48 -7.911 -12.764 -6.749 365 H ALA 49 H ALA 49 -5.273 -8.927 -4.733 366 HA ALA 49 HA ALA 49 -4.147 -10.552 -2.518 367 1HB ALA 49 1HB ALA 49 -2.752 -8.208 -3.879 368 2HB ALA 49 2HB ALA 49 -2.210 -8.990 -2.385 369 3HB ALA 49 3HB ALA 49 -2.221 -9.904 -3.901 370 H SER 50 H SER 50 -3.687 -9.024 -0.610 371 HA SER 50 HA SER 50 -5.749 -6.917 -0.376 372 1HB SER 50 2HB SER 50 -5.308 -9.353 1.407 373 2HB SER 50 3HB SER 50 -6.117 -7.902 2.005 374 HG SER 50 HG SER 50 -7.641 -8.098 0.322 375 H ILE 51 H ILE 51 -5.410 -5.646 1.707 376 HA ILE 51 HA ILE 51 -2.882 -4.618 1.475 377 HB ILE 51 HB ILE 51 -5.064 -3.519 2.405 378 1HG1 ILE 51 2HG1 ILE 51 -3.763 -1.920 3.692 379 2HG1 ILE 51 3HG1 ILE 51 -2.338 -2.943 3.423 380 1HG2 ILE 51 1HG2 ILE 51 -5.306 -3.372 4.780 381 2HG2 ILE 51 2HG2 ILE 51 -5.278 -5.100 4.387 382 3HG2 ILE 51 3HG2 ILE 51 -3.830 -4.304 5.067 383 1HD1 ILE 51 1HD1 ILE 51 -2.736 -2.612 0.899 384 2HD1 ILE 51 2HD1 ILE 51 -4.093 -1.568 1.329 385 3HD1 ILE 51 3HD1 ILE 51 -2.436 -1.114 1.762 386 H GLN 52 H GLN 52 -3.899 -7.160 3.669 387 HA GLN 52 HA GLN 52 -2.093 -7.135 5.714 388 1HB GLN 52 2HB GLN 52 -2.905 -9.443 3.906 389 2HB GLN 52 3HB GLN 52 -1.980 -9.687 5.389 390 1HG GLN 52 2HG GLN 52 -4.689 -8.271 5.387 391 2HG GLN 52 3HG GLN 52 -4.505 -10.022 5.501 392 1HE2 GLN 52 1HE2 GLN 52 -3.608 -6.943 7.195 393 2HE2 GLN 52 2HE2 GLN 52 -3.358 -7.718 8.728 394 H GLN 53 H GLN 53 -1.252 -8.411 2.455 395 HA GLN 53 HA GLN 53 1.493 -8.804 2.978 396 1HB GLN 53 2HB GLN 53 0.111 -8.131 0.402 397 2HB GLN 53 3HB GLN 53 1.803 -8.677 0.576 398 1HG GLN 53 2HG GLN 53 0.910 -10.735 0.329 399 2HG GLN 53 3HG GLN 53 0.572 -10.617 2.049 400 1HE2 GLN 53 1HE2 GLN 53 -0.703 -10.977 -1.049 401 2HE2 GLN 53 2HE2 GLN 53 -2.413 -10.968 -0.631 402 H VAL 54 H VAL 54 -0.188 -5.848 1.852 403 HA VAL 54 HA VAL 54 2.201 -4.354 1.242 404 HB VAL 54 HB VAL 54 -0.604 -3.260 1.807 405 1HG1 VAL 54 1HG1 VAL 54 0.982 -1.508 1.902 406 2HG1 VAL 54 2HG1 VAL 54 1.812 -2.065 0.446 407 3HG1 VAL 54 3HG1 VAL 54 0.158 -1.416 0.343 408 1HG2 VAL 54 1HG2 VAL 54 -0.828 -3.311 -0.697 409 2HG2 VAL 54 2HG2 VAL 54 0.608 -4.358 -0.752 410 3HG2 VAL 54 3HG2 VAL 54 -0.860 -4.901 0.066 411 H GLU 55 H GLU 55 0.031 -4.646 4.034 412 HA GLU 55 HA GLU 55 1.014 -2.632 5.708 413 1HB GLU 55 2HB GLU 55 -1.172 -3.863 5.836 414 2HB GLU 55 3HB GLU 55 -0.303 -5.298 6.383 415 1HG GLU 55 2HG GLU 55 0.518 -3.095 8.041 416 2HG GLU 55 3HG GLU 55 -1.245 -3.051 7.900 417 H GLN 56 H GLN 56 1.661 -6.203 5.588 418 HA GLN 56 HA GLN 56 3.768 -6.327 7.415 419 1HB GLN 56 2HB GLN 56 2.685 -8.286 6.296 420 2HB GLN 56 3HB GLN 56 3.532 -7.878 4.794 421 1HG GLN 56 2HG GLN 56 5.719 -8.109 6.018 422 2HG GLN 56 3HG GLN 56 4.812 -8.612 7.457 423 1HE2 GLN 56 1HE2 GLN 56 6.731 -10.320 6.584 424 2HE2 GLN 56 2HE2 GLN 56 6.005 -11.687 5.757 425 H ALA 57 H ALA 57 3.989 -5.685 3.838 426 HA ALA 57 HA ALA 57 6.759 -5.251 3.799 427 1HB ALA 57 1HB ALA 57 5.022 -5.457 1.865 428 2HB ALA 57 2HB ALA 57 4.876 -3.691 2.008 429 3HB ALA 57 3HB ALA 57 6.450 -4.459 1.671 430 H GLY 58 H GLY 58 4.094 -2.998 4.581 431 1HA GLY 58 1HA GLY 58 5.528 -0.580 4.838 432 2HA GLY 58 2HA GLY 58 3.963 -1.030 5.550 433 H ALA 59 H ALA 59 5.759 -3.420 6.832 434 HA ALA 59 HA ALA 59 6.116 -2.429 9.392 435 1HB ALA 59 1HB ALA 59 6.302 -4.798 8.841 436 2HB ALA 59 2HB ALA 59 7.807 -4.495 7.933 437 3HB ALA 59 3HB ALA 59 7.758 -4.250 9.691 438 H PHE 60 H PHE 60 8.122 -1.713 6.555 439 HA PHE 60 HA PHE 60 10.436 -0.845 7.901 440 1HB PHE 60 2HB PHE 60 10.970 0.458 5.986 441 2HB PHE 60 3HB PHE 60 10.379 -1.129 5.521 442 HD1 PHE 60 1HD PHE 60 8.730 -1.262 3.801 443 HD2 PHE 60 2HD PHE 60 9.467 2.473 5.776 444 HE1 PHE 60 1HE PHE 60 7.261 -0.109 2.161 445 HE2 PHE 60 2HE PHE 60 7.994 3.629 4.147 446 HZ PHE 60 HZ PHE 60 6.910 2.346 2.322 447 H GLU 61 H GLU 61 7.323 0.877 7.566 448 HA GLU 61 HA GLU 61 8.388 2.954 9.469 449 1HB GLU 61 2HB GLU 61 6.652 3.352 7.017 450 2HB GLU 61 3HB GLU 61 6.582 4.443 8.396 451 1HG GLU 61 2HG GLU 61 9.350 4.212 7.831 452 2HG GLU 61 3HG GLU 61 8.536 4.365 6.267 453 H HIS 62 H HIS 62 6.136 0.439 9.105 454 HA HIS 62 HA HIS 62 4.631 -0.371 10.583 455 1HB HIS 62 2HB HIS 62 5.102 1.913 12.513 456 2HB HIS 62 3HB HIS 62 4.573 0.273 12.844 457 HD1 HIS 62 1HD HIS 62 7.325 -0.900 11.108 458 HD2 HIS 62 2HD HIS 62 7.018 1.832 14.300 459 HE1 HIS 62 1HE HIS 62 9.537 -0.952 12.318 460 H LEU 63 H LEU 63 3.404 0.698 8.552 461 HA LEU 63 HA LEU 63 1.777 3.031 9.311 462 1HB LEU 63 2HB LEU 63 1.615 1.317 6.811 463 2HB LEU 63 3HB LEU 63 0.823 2.863 7.101 464 HG LEU 63 HG LEU 63 2.619 3.387 5.753 465 1HD1 LEU 63 1HD1 LEU 63 4.092 4.823 7.043 466 2HD1 LEU 63 2HD1 LEU 63 2.436 4.942 7.686 467 3HD1 LEU 63 3HD1 LEU 63 3.679 4.009 8.549 468 1HD2 LEU 63 1HD2 LEU 63 4.798 2.629 5.798 469 2HD2 LEU 63 2HD2 LEU 63 4.723 2.121 7.490 470 3HD2 LEU 63 3HD2 LEU 63 3.877 1.182 6.254 471 H LYS 64 H LYS 64 -0.676 2.917 8.803 472 HA LYS 64 HA LYS 64 -1.841 0.537 10.180 473 1HB LYS 64 2HB LYS 64 -3.113 1.995 11.621 474 2HB LYS 64 3HB LYS 64 -1.387 2.097 11.941 475 1HG LYS 64 2HG LYS 64 -2.752 4.166 10.164 476 2HG LYS 64 3HG LYS 64 -2.896 4.260 11.902 477 1HD LYS 64 2HD LYS 64 -0.170 4.086 10.558 478 2HD LYS 64 3HD LYS 64 -1.079 5.560 10.625 479 1HE LYS 64 2HE LYS 64 -1.200 5.374 13.141 480 2HE LYS 64 3HE LYS 64 -0.278 3.864 13.063 481 1HZ LYS 64 1HZ LYS 64 0.710 6.503 12.211 482 2HZ LYS 64 2HZ LYS 64 1.100 5.732 13.606 483 3HZ LYS 64 3HZ LYS 64 1.569 5.098 12.164 484 H ILE 65 H ILE 65 -2.243 0.206 7.902 485 HA ILE 65 HA ILE 65 -4.116 1.950 6.552 486 HB ILE 65 HB ILE 65 -3.483 -0.809 5.545 487 1HG1 ILE 65 2HG1 ILE 65 -1.498 1.452 5.633 488 2HG1 ILE 65 3HG1 ILE 65 -1.362 -0.246 6.191 489 1HG2 ILE 65 1HG2 ILE 65 -3.627 0.343 3.350 490 2HG2 ILE 65 2HG2 ILE 65 -5.079 0.553 4.327 491 3HG2 ILE 65 3HG2 ILE 65 -3.925 1.865 4.194 492 1HD1 ILE 65 1HD1 ILE 65 -1.287 0.686 3.350 493 2HD1 ILE 65 2HD1 ILE 65 -0.057 -0.169 4.321 494 3HD1 ILE 65 3HD1 ILE 65 -1.511 -1.006 3.862 495 H ILE 66 H ILE 66 -6.332 1.640 6.142 496 HA ILE 66 HA ILE 66 -7.650 -0.623 7.580 497 HB ILE 66 HB ILE 66 -8.492 2.292 7.519 498 1HG1 ILE 66 2HG1 ILE 66 -7.266 0.592 9.744 499 2HG1 ILE 66 3HG1 ILE 66 -6.516 1.972 8.931 500 1HG2 ILE 66 1HG2 ILE 66 -10.255 1.641 9.077 501 2HG2 ILE 66 2HG2 ILE 66 -10.413 0.663 7.632 502 3HG2 ILE 66 3HG2 ILE 66 -9.679 -0.037 9.093 503 1HD1 ILE 66 1HD1 ILE 66 -8.330 3.451 9.806 504 2HD1 ILE 66 2HD1 ILE 66 -8.888 2.084 10.808 505 3HD1 ILE 66 3HD1 ILE 66 -7.264 2.742 11.034 506 HA PRO 67 HA PRO 67 -9.697 -1.020 3.557 507 1HB PRO 67 2HB PRO 67 -11.587 -2.900 4.156 508 2HB PRO 67 3HB PRO 67 -9.859 -3.288 4.024 509 1HG PRO 67 2HG PRO 67 -11.417 -2.710 6.547 510 2HG PRO 67 3HG PRO 67 -10.307 -4.076 6.230 511 1HD PRO 67 2HD PRO 67 -9.504 -1.866 7.566 512 2HD PRO 67 3HD PRO 67 -8.400 -2.670 6.413 513 H GLU 68 H GLU 68 -10.462 1.236 3.633 514 HA GLU 68 HA GLU 68 -12.996 1.943 4.689 515 1HB GLU 68 2HB GLU 68 -11.202 3.501 4.147 516 2HB GLU 68 3HB GLU 68 -11.255 3.032 2.426 517 1HG GLU 68 2HG GLU 68 -13.544 3.838 2.289 518 2HG GLU 68 3HG GLU 68 -13.522 4.252 4.018 519 H LYS 69 H LYS 69 -14.423 0.274 4.157 520 HA LYS 69 HA LYS 69 -15.154 -0.430 1.438 521 1HB LYS 69 2HB LYS 69 -16.472 -0.587 4.161 522 2HB LYS 69 3HB LYS 69 -17.435 -0.887 2.719 523 1HG LYS 69 2HG LYS 69 -14.809 -2.318 2.779 524 2HG LYS 69 3HG LYS 69 -15.961 -2.807 4.028 525 1HD LYS 69 2HD LYS 69 -17.680 -3.299 2.435 526 2HD LYS 69 3HD LYS 69 -16.763 -2.579 1.096 527 1HE LYS 69 2HE LYS 69 -15.084 -4.333 1.185 528 2HE LYS 69 3HE LYS 69 -15.780 -5.010 2.668 529 1HZ LYS 69 1HZ LYS 69 -17.728 -5.610 1.447 530 2HZ LYS 69 2HZ LYS 69 -17.160 -4.920 0.066 531 3HZ LYS 69 3HZ LYS 69 -16.408 -6.240 0.697 532 H GLU 70 H GLU 70 -17.167 0.217 0.418 533 HA GLU 70 HA GLU 70 -17.724 3.133 0.654 534 1HB GLU 70 2HB GLU 70 -16.334 2.333 -1.336 535 2HB GLU 70 3HB GLU 70 -17.728 1.363 -1.832 536 1HG GLU 70 2HG GLU 70 -19.068 3.497 -1.976 537 2HG GLU 70 3HG GLU 70 -17.583 4.397 -1.613 538 H ALA 71 H ALA 71 -19.863 3.534 0.963 539 HA ALA 71 HA ALA 71 -22.035 3.252 1.446 540 1HB ALA 71 1HB ALA 71 -23.456 1.916 0.019 541 2HB ALA 71 2HB ALA 71 -22.248 2.740 -0.984 542 3HB ALA 71 3HB ALA 71 -22.072 1.009 -0.613 Start of MODEL 6 1 1H MET 1 H1 MET 1 -18.071 -10.059 -8.808 2 2H MET 1 H2 MET 1 -17.601 -11.639 -8.967 3 3H MET 1 H3 MET 1 -16.721 -10.600 -8.030 4 HA MET 1 HA MET 1 -15.579 -10.928 -10.082 5 1HB MET 1 2HB MET 1 -18.190 -9.854 -11.260 6 2HB MET 1 3HB MET 1 -16.667 -9.992 -12.143 7 1HG MET 1 2HG MET 1 -16.698 -12.427 -11.893 8 2HG MET 1 3HG MET 1 -18.229 -12.337 -10.995 9 1HE MET 1 1HE MET 1 -19.233 -14.136 -12.728 10 2HE MET 1 2HE MET 1 -19.247 -13.871 -14.486 11 3HE MET 1 3HE MET 1 -17.703 -14.132 -13.645 12 H ALA 2 H ALA 2 -14.391 -9.373 -8.724 13 HA ALA 2 HA ALA 2 -14.372 -6.676 -9.634 14 1HB ALA 2 1HB ALA 2 -16.499 -6.383 -8.401 15 2HB ALA 2 2HB ALA 2 -15.769 -7.102 -6.949 16 3HB ALA 2 3HB ALA 2 -15.191 -5.541 -7.568 17 H GLU 3 H GLU 3 -12.268 -8.113 -9.597 18 HA GLU 3 HA GLU 3 -11.032 -8.501 -7.044 19 1HB GLU 3 2HB GLU 3 -9.657 -8.723 -9.731 20 2HB GLU 3 3HB GLU 3 -9.358 -9.601 -8.228 21 1HG GLU 3 2HG GLU 3 -11.624 -9.972 -10.217 22 2HG GLU 3 3HG GLU 3 -10.468 -11.148 -9.604 23 H LYS 4 H LYS 4 -11.482 -6.035 -6.709 24 HA LYS 4 HA LYS 4 -8.932 -4.578 -6.878 25 1HB LYS 4 2HB LYS 4 -10.026 -2.537 -7.553 26 2HB LYS 4 3HB LYS 4 -10.221 -3.766 -8.811 27 1HG LYS 4 2HG LYS 4 -12.510 -4.282 -7.852 28 2HG LYS 4 3HG LYS 4 -12.378 -2.873 -6.814 29 1HD LYS 4 2HD LYS 4 -12.186 -2.766 -9.869 30 2HD LYS 4 3HD LYS 4 -13.697 -2.676 -8.978 31 1HE LYS 4 2HE LYS 4 -13.063 -0.447 -9.550 32 2HE LYS 4 3HE LYS 4 -12.982 -0.637 -7.795 33 1HZ LYS 4 1HZ LYS 4 -11.106 0.566 -8.775 34 2HZ LYS 4 2HZ LYS 4 -10.624 -0.768 -7.951 35 3HZ LYS 4 3HZ LYS 4 -10.645 -0.786 -9.595 36 H THR 5 H THR 5 -8.568 -3.329 -4.969 37 HA THR 5 HA THR 5 -10.849 -2.806 -3.221 38 HB THR 5 HB THR 5 -8.494 -4.477 -2.160 39 HG1 THR 5 1HG THR 5 -10.970 -4.897 -3.209 40 1HG2 THR 5 1HG2 THR 5 -9.990 -4.687 -0.171 41 2HG2 THR 5 2HG2 THR 5 -9.593 -2.975 -0.433 42 3HG2 THR 5 3HG2 THR 5 -11.173 -3.613 -0.921 43 H VAL 6 H VAL 6 -10.486 -0.974 -2.056 44 HA VAL 6 HA VAL 6 -7.761 -0.149 -1.919 45 HB VAL 6 HB VAL 6 -8.525 1.186 -3.652 46 1HG1 VAL 6 1HG1 VAL 6 -11.163 1.678 -2.313 47 2HG1 VAL 6 2HG1 VAL 6 -10.579 2.451 -3.814 48 3HG1 VAL 6 3HG1 VAL 6 -10.820 0.709 -3.776 49 1HG2 VAL 6 1HG2 VAL 6 -7.527 2.650 -1.843 50 2HG2 VAL 6 2HG2 VAL 6 -8.668 3.522 -2.878 51 3HG2 VAL 6 3HG2 VAL 6 -9.167 2.991 -1.266 52 H TYR 7 H TYR 7 -7.109 0.958 -0.128 53 HA TYR 7 HA TYR 7 -8.961 0.826 2.220 54 1HB TYR 7 2HB TYR 7 -6.040 0.004 2.146 55 2HB TYR 7 3HB TYR 7 -7.154 -0.120 3.499 56 HD1 TYR 7 HD1 TYR 7 -6.492 -1.463 0.043 57 HD2 TYR 7 HD2 TYR 7 -8.016 -2.212 3.993 58 HE1 TYR 7 HE1 TYR 7 -6.666 -3.875 -0.462 59 HE2 TYR 7 HE2 TYR 7 -8.328 -4.592 3.425 60 HH TYR 7 HH TYR 7 -8.232 -6.200 1.626 61 H ARG 8 H ARG 8 -8.238 2.303 3.963 62 HA ARG 8 HA ARG 8 -7.063 4.731 2.770 63 1HB ARG 8 2HB ARG 8 -9.178 4.390 4.510 64 2HB ARG 8 3HB ARG 8 -7.882 4.770 5.645 65 1HG ARG 8 2HG ARG 8 -7.263 6.708 4.141 66 2HG ARG 8 3HG ARG 8 -8.703 6.327 3.166 67 1HD ARG 8 2HD ARG 8 -10.105 6.618 5.215 68 2HD ARG 8 3HD ARG 8 -8.672 7.190 6.099 69 HE ARG 8 HE ARG 8 -10.264 8.537 4.062 70 1HH1 ARG 8 2HH2 ARG 8 -6.992 8.486 5.574 71 2HH1 ARG 8 1HH2 ARG 8 -6.486 9.960 4.930 72 1HH2 ARG 8 2HH1 ARG 8 -9.600 10.533 3.154 73 2HH2 ARG 8 1HH1 ARG 8 -8.024 11.189 3.491 74 H VAL 9 H VAL 9 -4.947 5.271 3.127 75 HA VAL 9 HA VAL 9 -3.480 4.046 5.409 76 HB VAL 9 HB VAL 9 -2.543 3.051 3.432 77 1HG1 VAL 9 1HG1 VAL 9 -3.323 4.633 1.695 78 2HG1 VAL 9 2HG1 VAL 9 -2.214 5.881 2.295 79 3HG1 VAL 9 3HG1 VAL 9 -1.575 4.391 1.589 80 1HG2 VAL 9 1HG2 VAL 9 -0.288 3.726 3.627 81 2HG2 VAL 9 2HG2 VAL 9 -0.720 5.342 4.216 82 3HG2 VAL 9 3HG2 VAL 9 -1.038 3.898 5.221 83 H ASP 10 H ASP 10 -2.285 5.481 6.656 84 HA ASP 10 HA ASP 10 -2.231 8.341 6.011 85 1HB ASP 10 2HB ASP 10 -4.044 6.990 8.059 86 2HB ASP 10 3HB ASP 10 -3.431 8.601 8.347 87 H GLY 11 H GLY 11 -0.987 9.429 7.771 88 1HA GLY 11 1HA GLY 11 0.166 9.295 9.878 89 2HA GLY 11 2HA GLY 11 0.603 7.617 9.558 90 H LEU 12 H LEU 12 1.637 7.593 7.113 91 HA LEU 12 HA LEU 12 4.266 8.579 7.410 92 1HB LEU 12 2HB LEU 12 4.663 7.620 5.262 93 2HB LEU 12 3HB LEU 12 3.562 6.596 6.135 94 HG LEU 12 HG LEU 12 2.730 6.577 4.001 95 1HD1 LEU 12 1HD1 LEU 12 1.004 8.831 5.049 96 2HD1 LEU 12 2HD1 LEU 12 0.632 7.688 3.759 97 3HD1 LEU 12 3HD1 LEU 12 0.793 7.104 5.411 98 1HD2 LEU 12 1HD2 LEU 12 4.217 8.489 3.187 99 2HD2 LEU 12 2HD2 LEU 12 2.637 8.329 2.411 100 3HD2 LEU 12 3HD2 LEU 12 2.877 9.585 3.598 101 H SER 13 H SER 13 5.438 9.874 5.633 102 HA SER 13 HA SER 13 3.930 11.665 3.962 103 1HB SER 13 2HB SER 13 4.603 13.795 5.004 104 2HB SER 13 3HB SER 13 3.533 12.889 6.074 105 HG SER 13 HG SER 13 6.366 12.948 6.182 106 H CYS 14 H CYS 14 5.686 10.115 2.764 107 HA CYS 14 HA CYS 14 7.676 12.054 1.965 108 1HB CYS 14 2HB CYS 14 8.828 10.974 3.950 109 2HB CYS 14 3HB CYS 14 8.800 9.441 3.055 110 HG CYS 14 HG CYS 14 9.975 10.397 0.921 111 H THR 15 H THR 15 8.108 11.898 -0.178 112 HA THR 15 HA THR 15 6.870 10.150 -1.886 113 HB THR 15 HB THR 15 9.526 11.529 -2.442 114 HG1 THR 15 1HG THR 15 6.969 12.736 -2.338 115 1HG2 THR 15 1HG2 THR 15 8.531 10.256 -4.323 116 2HG2 THR 15 2HG2 THR 15 7.006 11.147 -4.130 117 3HG2 THR 15 3HG2 THR 15 8.483 12.003 -4.622 118 H ASN 16 H ASN 16 10.343 9.979 -0.853 119 HA ASN 16 HA ASN 16 11.096 7.718 -2.206 120 1HB ASN 16 2HB ASN 16 11.862 8.350 0.679 121 2HB ASN 16 3HB ASN 16 12.748 7.308 -0.441 122 1HD2 ASN 16 1HD2 ASN 16 12.629 10.451 0.806 123 2HD2 ASN 16 2HD2 ASN 16 13.472 11.260 -0.500 124 H CYS 17 H CYS 17 9.372 7.864 0.926 125 HA CYS 17 HA CYS 17 9.259 5.018 1.295 126 1HB CYS 17 2HB CYS 17 7.669 7.288 2.547 127 2HB CYS 17 3HB CYS 17 7.557 5.572 2.978 128 HG CYS 17 HG CYS 17 9.050 6.745 4.776 129 H ALA 18 H ALA 18 7.058 7.425 -0.210 130 HA ALA 18 HA ALA 18 4.923 5.662 -0.878 131 1HB ALA 18 1HB ALA 18 5.111 8.226 -1.307 132 2HB ALA 18 2HB ALA 18 5.955 7.780 -2.799 133 3HB ALA 18 3HB ALA 18 4.315 7.219 -2.544 134 H ALA 19 H ALA 19 7.980 6.271 -2.530 135 HA ALA 19 HA ALA 19 7.487 4.560 -4.785 136 1HB ALA 19 1HB ALA 19 9.264 6.269 -4.746 137 2HB ALA 19 2HB ALA 19 10.187 5.286 -3.591 138 3HB ALA 19 3HB ALA 19 9.854 4.662 -5.212 139 H LYS 20 H LYS 20 9.268 4.046 -1.729 140 HA LYS 20 HA LYS 20 9.889 1.336 -2.048 141 1HB LYS 20 2HB LYS 20 10.626 3.033 -0.312 142 2HB LYS 20 3HB LYS 20 9.154 2.670 0.588 143 1HG LYS 20 2HG LYS 20 9.878 0.362 0.930 144 2HG LYS 20 3HG LYS 20 11.198 0.565 -0.241 145 1HD LYS 20 2HD LYS 20 12.160 2.382 1.198 146 2HD LYS 20 3HD LYS 20 10.920 2.039 2.417 147 1HE LYS 20 2HE LYS 20 11.802 -0.218 2.752 148 2HE LYS 20 3HE LYS 20 12.915 -0.034 1.384 149 1HZ LYS 20 1HZ LYS 20 13.029 1.530 3.877 150 2HZ LYS 20 2HZ LYS 20 14.039 0.301 3.457 151 3HZ LYS 20 3HZ LYS 20 14.044 1.696 2.591 152 H PHE 21 H PHE 21 6.882 2.809 -0.766 153 HA PHE 21 HA PHE 21 5.649 0.325 -0.097 154 1HB PHE 21 2HB PHE 21 5.033 2.895 0.452 155 2HB PHE 21 3HB PHE 21 3.911 2.642 -0.858 156 HD1 PHE 21 1HD PHE 21 5.082 1.438 2.450 157 HD2 PHE 21 2HD PHE 21 1.871 1.260 -0.414 158 HE1 PHE 21 1HE PHE 21 3.485 1.038 4.265 159 HE2 PHE 21 2HE PHE 21 0.263 0.891 1.443 160 HZ PHE 21 HZ PHE 21 1.092 0.865 3.796 161 H GLU 22 H GLU 22 5.049 2.479 -2.991 162 HA GLU 22 HA GLU 22 3.206 0.643 -4.134 163 1HB GLU 22 2HB GLU 22 3.401 1.900 -6.185 164 2HB GLU 22 3HB GLU 22 3.329 2.979 -4.789 165 1HG GLU 22 2HG GLU 22 4.920 4.023 -6.065 166 2HG GLU 22 3HG GLU 22 5.908 3.067 -4.967 167 H ARG 23 H ARG 23 6.717 0.958 -4.573 168 HA ARG 23 HA ARG 23 7.019 -1.174 -6.403 169 1HB ARG 23 2HB ARG 23 8.838 0.412 -5.790 170 2HB ARG 23 3HB ARG 23 8.917 -0.291 -4.156 171 1HG ARG 23 2HG ARG 23 9.445 -2.527 -5.156 172 2HG ARG 23 3HG ARG 23 9.333 -1.805 -6.765 173 1HD ARG 23 2HD ARG 23 11.300 -0.289 -6.029 174 2HD ARG 23 3HD ARG 23 11.340 -1.246 -4.547 175 HE ARG 23 HE ARG 23 11.831 -3.243 -5.736 176 1HH1 ARG 23 2HH2 ARG 23 11.090 -0.739 -8.013 177 2HH1 ARG 23 1HH2 ARG 23 11.807 -1.528 -9.383 178 1HH2 ARG 23 2HH1 ARG 23 12.885 -4.281 -7.374 179 2HH2 ARG 23 1HH1 ARG 23 12.947 -3.631 -8.997 180 H ASN 24 H ASN 24 7.210 -1.284 -2.756 181 HA ASN 24 HA ASN 24 7.601 -4.060 -2.506 182 1HB ASN 24 2HB ASN 24 6.080 -2.059 -0.776 183 2HB ASN 24 3HB ASN 24 6.126 -3.777 -0.403 184 1HD2 ASN 24 1HD2 ASN 24 7.005 -2.434 1.572 185 2HD2 ASN 24 2HD2 ASN 24 8.741 -2.589 1.707 186 H VAL 25 H VAL 25 4.540 -2.250 -2.874 187 HA VAL 25 HA VAL 25 2.837 -4.547 -2.770 188 HB VAL 25 HB VAL 25 2.379 -1.885 -4.188 189 1HG1 VAL 25 1HG1 VAL 25 0.448 -4.068 -3.266 190 2HG1 VAL 25 2HG1 VAL 25 -0.029 -2.470 -3.818 191 3HG1 VAL 25 3HG1 VAL 25 0.772 -3.597 -4.943 192 1HG2 VAL 25 1HG2 VAL 25 2.813 -1.774 -1.625 193 2HG2 VAL 25 2HG2 VAL 25 1.249 -1.164 -2.181 194 3HG2 VAL 25 3HG2 VAL 25 1.394 -2.779 -1.471 195 H LYS 26 H LYS 26 4.334 -2.850 -5.573 196 HA LYS 26 HA LYS 26 3.383 -4.607 -7.591 197 1HB LYS 26 2HB LYS 26 5.648 -2.662 -7.256 198 2HB LYS 26 3HB LYS 26 5.669 -3.699 -8.670 199 1HG LYS 26 2HG LYS 26 3.705 -2.843 -9.514 200 2HG LYS 26 3HG LYS 26 3.110 -2.272 -7.938 201 1HD LYS 26 2HD LYS 26 4.481 -0.397 -7.909 202 2HD LYS 26 3HD LYS 26 5.564 -1.002 -9.161 203 1HE LYS 26 2HE LYS 26 4.118 -0.485 -10.905 204 2HE LYS 26 3HE LYS 26 2.654 -0.651 -9.920 205 1HZ LYS 26 1HZ LYS 26 3.335 1.683 -10.569 206 2HZ LYS 26 2HZ LYS 26 2.970 1.411 -8.981 207 3HZ LYS 26 3HZ LYS 26 4.504 1.552 -9.391 208 H GLU 27 H GLU 27 6.185 -4.984 -5.397 209 HA GLU 27 HA GLU 27 7.066 -7.426 -6.681 210 1HB GLU 27 2HB GLU 27 7.789 -6.133 -4.032 211 2HB GLU 27 3HB GLU 27 8.477 -7.652 -4.608 212 1HG GLU 27 2HG GLU 27 9.304 -6.566 -6.655 213 2HG GLU 27 3HG GLU 27 8.626 -5.013 -6.137 214 H ILE 28 H ILE 28 4.222 -6.925 -4.838 215 HA ILE 28 HA ILE 28 4.194 -9.476 -3.472 216 HB ILE 28 HB ILE 28 1.969 -7.663 -4.428 217 1HG1 ILE 28 2HG1 ILE 28 2.900 -8.320 -1.601 218 2HG1 ILE 28 3HG1 ILE 28 3.487 -6.932 -2.520 219 1HG2 ILE 28 1HG2 ILE 28 0.977 -9.817 -4.471 220 2HG2 ILE 28 2HG2 ILE 28 1.720 -10.267 -2.924 221 3HG2 ILE 28 3HG2 ILE 28 0.438 -9.047 -2.997 222 1HD1 ILE 28 1HD1 ILE 28 0.608 -7.383 -1.647 223 2HD1 ILE 28 2HD1 ILE 28 1.740 -6.139 -1.106 224 3HD1 ILE 28 3HD1 ILE 28 1.126 -6.134 -2.777 225 H GLU 29 H GLU 29 3.397 -11.432 -4.171 226 HA GLU 29 HA GLU 29 3.342 -11.910 -7.082 227 1HB GLU 29 2HB GLU 29 4.732 -13.278 -5.383 228 2HB GLU 29 3HB GLU 29 3.190 -13.966 -4.845 229 1HG GLU 29 2HG GLU 29 2.775 -14.737 -7.186 230 2HG GLU 29 3HG GLU 29 4.337 -14.045 -7.676 231 H GLY 30 H GLY 30 1.391 -12.129 -8.063 232 1HA GLY 30 1HA GLY 30 -0.774 -13.202 -8.176 233 2HA GLY 30 2HA GLY 30 -1.069 -12.823 -6.479 234 H VAL 31 H VAL 31 -0.125 -10.033 -6.590 235 HA VAL 31 HA VAL 31 -2.541 -8.841 -7.485 236 HB VAL 31 HB VAL 31 -1.049 -8.099 -5.597 237 1HG1 VAL 31 1HG1 VAL 31 0.549 -6.756 -7.822 238 2HG1 VAL 31 2HG1 VAL 31 0.739 -6.525 -6.078 239 3HG1 VAL 31 3HG1 VAL 31 1.114 -8.102 -6.806 240 1HG2 VAL 31 1HG2 VAL 31 -1.722 -5.874 -7.538 241 2HG2 VAL 31 2HG2 VAL 31 -2.914 -6.762 -6.550 242 3HG2 VAL 31 3HG2 VAL 31 -1.631 -5.807 -5.771 243 H THR 32 H THR 32 -2.642 -7.013 -9.105 244 HA THR 32 HA THR 32 -0.959 -7.560 -11.524 245 HB THR 32 HB THR 32 -3.913 -6.847 -11.345 246 HG1 THR 32 1HG THR 32 -2.898 -9.120 -11.110 247 1HG2 THR 32 1HG2 THR 32 -2.083 -7.153 -13.761 248 2HG2 THR 32 2HG2 THR 32 -3.857 -7.093 -13.827 249 3HG2 THR 32 3HG2 THR 32 -2.949 -5.683 -13.262 250 H GLU 33 H GLU 33 -3.170 -5.121 -10.033 251 HA GLU 33 HA GLU 33 -1.043 -3.049 -10.695 252 1HB GLU 33 2HB GLU 33 -4.041 -2.830 -11.136 253 2HB GLU 33 3HB GLU 33 -2.966 -1.443 -10.996 254 1HG GLU 33 2HG GLU 33 -1.725 -3.185 -12.895 255 2HG GLU 33 3HG GLU 33 -3.447 -3.135 -13.296 256 H ALA 34 H ALA 34 -0.816 -1.283 -9.267 257 HA ALA 34 HA ALA 34 -2.683 -1.126 -7.049 258 1HB ALA 34 1HB ALA 34 0.295 -1.608 -6.571 259 2HB ALA 34 2HB ALA 34 -0.878 -1.092 -5.336 260 3HB ALA 34 3HB ALA 34 -1.048 -2.687 -6.114 261 H ILE 35 H ILE 35 -2.899 0.994 -6.287 262 HA ILE 35 HA ILE 35 -1.037 3.017 -7.486 263 HB ILE 35 HB ILE 35 -4.051 3.287 -7.409 264 1HG1 ILE 35 2HG1 ILE 35 -2.517 3.051 -10.006 265 2HG1 ILE 35 3HG1 ILE 35 -3.007 1.566 -9.203 266 1HG2 ILE 35 1HG2 ILE 35 -3.606 5.293 -8.772 267 2HG2 ILE 35 2HG2 ILE 35 -2.669 5.379 -7.274 268 3HG2 ILE 35 3HG2 ILE 35 -1.870 4.932 -8.779 269 1HD1 ILE 35 1HD1 ILE 35 -4.950 3.760 -9.951 270 2HD1 ILE 35 2HD1 ILE 35 -4.677 2.234 -10.817 271 3HD1 ILE 35 3HD1 ILE 35 -5.330 2.207 -9.170 272 H VAL 36 H VAL 36 0.026 3.212 -5.557 273 HA VAL 36 HA VAL 36 -1.402 3.561 -3.042 274 HB VAL 36 HB VAL 36 1.567 3.914 -3.517 275 1HG1 VAL 36 1HG1 VAL 36 1.743 3.440 -1.192 276 2HG1 VAL 36 2HG1 VAL 36 0.455 4.632 -1.350 277 3HG1 VAL 36 3HG1 VAL 36 0.044 2.933 -1.076 278 1HG2 VAL 36 1HG2 VAL 36 1.723 1.500 -2.773 279 2HG2 VAL 36 2HG2 VAL 36 0.028 1.309 -3.225 280 3HG2 VAL 36 3HG2 VAL 36 1.201 1.764 -4.451 281 H ASN 37 H ASN 37 -2.415 5.570 -2.762 282 HA ASN 37 HA ASN 37 -1.069 8.019 -3.842 283 1HB ASN 37 2HB ASN 37 -3.809 7.625 -2.586 284 2HB ASN 37 3HB ASN 37 -3.075 9.172 -2.991 285 1HD2 ASN 37 1HD2 ASN 37 -3.066 6.097 -4.937 286 2HD2 ASN 37 2HD2 ASN 37 -3.716 6.933 -6.344 287 H PHE 38 H PHE 38 0.684 7.194 -2.390 288 HA PHE 38 HA PHE 38 0.318 7.284 0.473 289 1HB PHE 38 2HB PHE 38 2.279 6.296 -1.251 290 2HB PHE 38 3HB PHE 38 3.036 7.740 -0.603 291 HD1 PHE 38 1HD PHE 38 0.830 5.039 0.892 292 HD2 PHE 38 2HD PHE 38 4.607 7.132 1.056 293 HE1 PHE 38 1HE PHE 38 1.647 3.474 2.602 294 HE2 PHE 38 2HE PHE 38 5.402 5.520 2.756 295 HZ PHE 38 HZ PHE 38 3.958 3.667 3.490 296 H GLY 39 H GLY 39 0.508 8.986 1.849 297 1HA GLY 39 1HA GLY 39 1.948 11.200 1.994 298 2HA GLY 39 2HA GLY 39 0.801 11.716 0.741 299 H ALA 40 H ALA 40 -1.533 11.031 1.246 300 HA ALA 40 HA ALA 40 -2.520 10.704 3.896 301 1HB ALA 40 1HB ALA 40 -3.497 13.002 4.191 302 2HB ALA 40 2HB ALA 40 -1.738 12.994 4.343 303 3HB ALA 40 3HB ALA 40 -2.491 13.577 2.844 304 H SER 41 H SER 41 -3.426 9.157 2.199 305 HA SER 41 HA SER 41 -5.992 10.085 1.198 306 1HB SER 41 2HB SER 41 -3.708 9.701 -0.724 307 2HB SER 41 3HB SER 41 -5.379 9.375 -1.214 308 HG SER 41 HG SER 41 -4.747 11.795 0.065 309 H LYS 42 H LYS 42 -4.420 7.509 -0.522 310 HA LYS 42 HA LYS 42 -5.543 5.430 1.133 311 1HB LYS 42 2HB LYS 42 -7.255 4.675 -0.480 312 2HB LYS 42 3HB LYS 42 -7.623 6.212 0.267 313 1HG LYS 42 2HG LYS 42 -8.275 6.270 -2.007 314 2HG LYS 42 3HG LYS 42 -6.964 7.423 -1.788 315 1HD LYS 42 2HD LYS 42 -5.402 5.997 -2.947 316 2HD LYS 42 3HD LYS 42 -6.481 4.597 -2.830 317 1HE LYS 42 2HE LYS 42 -8.071 5.735 -4.382 318 2HE LYS 42 3HE LYS 42 -6.972 7.126 -4.472 319 1HZ LYS 42 1HZ LYS 42 -6.372 4.370 -5.360 320 2HZ LYS 42 2HZ LYS 42 -6.659 5.670 -6.327 321 3HZ LYS 42 3HZ LYS 42 -5.307 5.625 -5.391 322 H ILE 43 H ILE 43 -5.447 3.285 -0.003 323 HA ILE 43 HA ILE 43 -3.305 3.182 -2.068 324 HB ILE 43 HB ILE 43 -2.228 2.767 -0.027 325 1HG1 ILE 43 2HG1 ILE 43 -1.582 1.321 -1.897 326 2HG1 ILE 43 3HG1 ILE 43 -1.214 0.670 -0.307 327 1HG2 ILE 43 1HG2 ILE 43 -3.978 2.297 1.521 328 2HG2 ILE 43 2HG2 ILE 43 -4.385 0.778 0.715 329 3HG2 ILE 43 3HG2 ILE 43 -2.828 0.962 1.540 330 1HD1 ILE 43 1HD1 ILE 43 -3.363 -0.758 -0.573 331 2HD1 ILE 43 2HD1 ILE 43 -3.260 -0.316 -2.283 332 3HD1 ILE 43 3HD1 ILE 43 -1.921 -1.162 -1.514 333 H THR 44 H THR 44 -4.085 2.308 -3.852 334 HA THR 44 HA THR 44 -6.395 0.436 -3.692 335 HB THR 44 HB THR 44 -5.169 1.793 -6.120 336 HG1 THR 44 1HG THR 44 -6.857 2.520 -4.147 337 1HG2 THR 44 1HG2 THR 44 -6.505 -0.164 -6.733 338 2HG2 THR 44 2HG2 THR 44 -7.844 0.391 -5.712 339 3HG2 THR 44 3HG2 THR 44 -7.368 1.324 -7.148 340 H VAL 45 H VAL 45 -6.168 -1.655 -4.161 341 HA VAL 45 HA VAL 45 -3.758 -2.646 -5.571 342 HB VAL 45 HB VAL 45 -5.052 -3.542 -3.000 343 1HG1 VAL 45 1HG1 VAL 45 -5.555 -5.510 -4.309 344 2HG1 VAL 45 2HG1 VAL 45 -3.932 -5.491 -5.035 345 3HG1 VAL 45 3HG1 VAL 45 -4.130 -5.841 -3.311 346 1HG2 VAL 45 1HG2 VAL 45 -2.788 -2.437 -3.209 347 2HG2 VAL 45 2HG2 VAL 45 -2.748 -4.027 -2.418 348 3HG2 VAL 45 3HG2 VAL 45 -2.229 -3.854 -4.108 349 H THR 46 H THR 46 -4.244 -4.106 -7.192 350 HA THR 46 HA THR 46 -6.970 -5.085 -7.556 351 HB THR 46 HB THR 46 -5.503 -3.287 -9.546 352 HG1 THR 46 1HG THR 46 -7.264 -3.059 -7.665 353 1HG2 THR 46 1HG2 THR 46 -8.105 -4.850 -9.952 354 2HG2 THR 46 2HG2 THR 46 -7.443 -3.627 -11.053 355 3HG2 THR 46 3HG2 THR 46 -6.581 -5.156 -10.816 356 H GLY 47 H GLY 47 -6.963 -7.014 -8.431 357 1HA GLY 47 1HA GLY 47 -5.380 -8.257 -10.158 358 2HA GLY 47 2HA GLY 47 -4.238 -8.182 -8.857 359 H GLU 48 H GLU 48 -4.504 -9.199 -6.884 360 HA GLU 48 HA GLU 48 -6.707 -10.780 -6.083 361 1HB GLU 48 2HB GLU 48 -5.732 -12.129 -8.139 362 2HB GLU 48 3HB GLU 48 -4.416 -12.538 -7.051 363 1HG GLU 48 2HG GLU 48 -6.128 -13.503 -5.466 364 2HG GLU 48 3HG GLU 48 -7.398 -13.052 -6.619 365 H ALA 49 H ALA 49 -5.424 -8.946 -4.569 366 HA ALA 49 HA ALA 49 -4.347 -10.646 -2.461 367 1HB ALA 49 1HB ALA 49 -2.693 -8.307 -3.519 368 2HB ALA 49 2HB ALA 49 -2.328 -9.287 -2.081 369 3HB ALA 49 3HB ALA 49 -2.274 -10.028 -3.692 370 H SER 50 H SER 50 -4.217 -9.497 -0.408 371 HA SER 50 HA SER 50 -6.124 -7.218 -0.183 372 1HB SER 50 2HB SER 50 -5.435 -9.523 1.694 373 2HB SER 50 3HB SER 50 -6.351 -8.110 2.214 374 HG SER 50 HG SER 50 -8.030 -8.683 0.959 375 H ILE 51 H ILE 51 -5.670 -5.796 1.735 376 HA ILE 51 HA ILE 51 -3.160 -4.762 1.531 377 HB ILE 51 HB ILE 51 -5.339 -3.691 2.555 378 1HG1 ILE 51 2HG1 ILE 51 -4.012 -2.075 3.788 379 2HG1 ILE 51 3HG1 ILE 51 -2.587 -3.062 3.423 380 1HG2 ILE 51 1HG2 ILE 51 -5.437 -5.285 4.534 381 2HG2 ILE 51 2HG2 ILE 51 -3.978 -4.462 5.153 382 3HG2 ILE 51 3HG2 ILE 51 -5.483 -3.559 4.928 383 1HD1 ILE 51 1HD1 ILE 51 -2.665 -1.397 1.680 384 2HD1 ILE 51 2HD1 ILE 51 -3.391 -2.788 0.889 385 3HD1 ILE 51 3HD1 ILE 51 -4.421 -1.526 1.550 386 H GLN 52 H GLN 52 -4.081 -7.319 3.720 387 HA GLN 52 HA GLN 52 -2.270 -7.425 5.723 388 1HB GLN 52 2HB GLN 52 -2.919 -9.578 3.661 389 2HB GLN 52 3HB GLN 52 -2.040 -9.926 5.150 390 1HG GLN 52 2HG GLN 52 -4.798 -8.622 5.238 391 2HG GLN 52 3HG GLN 52 -4.577 -10.363 5.078 392 1HE2 GLN 52 1HE2 GLN 52 -3.921 -7.582 7.291 393 2HE2 GLN 52 2HE2 GLN 52 -3.700 -8.608 8.682 394 H GLN 53 H GLN 53 -1.409 -8.298 2.356 395 HA GLN 53 HA GLN 53 1.376 -8.808 2.933 396 1HB GLN 53 2HB GLN 53 -0.025 -8.140 0.346 397 2HB GLN 53 3HB GLN 53 1.691 -8.572 0.520 398 1HG GLN 53 2HG GLN 53 0.612 -10.624 1.943 399 2HG GLN 53 3HG GLN 53 -0.786 -10.242 0.929 400 1HE2 GLN 53 1HE2 GLN 53 -0.690 -12.146 -0.243 401 2HE2 GLN 53 2HE2 GLN 53 0.626 -12.538 -1.349 402 H VAL 54 H VAL 54 -0.381 -5.945 1.768 403 HA VAL 54 HA VAL 54 1.880 -4.315 1.146 404 HB VAL 54 HB VAL 54 -0.955 -3.458 1.904 405 1HG1 VAL 54 1HG1 VAL 54 1.352 -2.009 0.610 406 2HG1 VAL 54 2HG1 VAL 54 -0.344 -1.492 0.440 407 3HG1 VAL 54 3HG1 VAL 54 0.402 -1.587 2.038 408 1HG2 VAL 54 1HG2 VAL 54 0.184 -4.384 -0.743 409 2HG2 VAL 54 2HG2 VAL 54 -1.235 -4.986 0.109 410 3HG2 VAL 54 3HG2 VAL 54 -1.270 -3.373 -0.605 411 H GLU 55 H GLU 55 -0.191 -4.690 4.011 412 HA GLU 55 HA GLU 55 0.847 -2.713 5.700 413 1HB GLU 55 2HB GLU 55 -1.307 -4.158 5.894 414 2HB GLU 55 3HB GLU 55 -0.261 -5.423 6.528 415 1HG GLU 55 2HG GLU 55 0.528 -3.322 8.098 416 2HG GLU 55 3HG GLU 55 -1.147 -2.863 7.760 417 H GLN 56 H GLN 56 1.557 -6.252 5.419 418 HA GLN 56 HA GLN 56 3.597 -6.403 7.305 419 1HB GLN 56 2HB GLN 56 2.496 -8.318 6.163 420 2HB GLN 56 3HB GLN 56 3.430 -7.975 4.693 421 1HG GLN 56 2HG GLN 56 5.530 -8.392 5.895 422 2HG GLN 56 3HG GLN 56 4.646 -8.544 7.426 423 1HE2 GLN 56 1HE2 GLN 56 5.524 -10.690 7.747 424 2HE2 GLN 56 2HE2 GLN 56 4.895 -12.036 6.812 425 H ALA 57 H ALA 57 3.884 -5.551 3.805 426 HA ALA 57 HA ALA 57 6.669 -4.969 3.840 427 1HB ALA 57 1HB ALA 57 6.194 -4.583 1.705 428 2HB ALA 57 2HB ALA 57 4.465 -4.725 2.012 429 3HB ALA 57 3HB ALA 57 5.228 -3.140 2.112 430 H GLY 58 H GLY 58 3.844 -2.844 4.405 431 1HA GLY 58 1HA GLY 58 5.104 -0.414 4.831 432 2HA GLY 58 2HA GLY 58 3.502 -0.912 5.446 433 H ALA 59 H ALA 59 4.893 -3.131 7.030 434 HA ALA 59 HA ALA 59 5.550 -2.146 9.495 435 1HB ALA 59 1HB ALA 59 7.167 -4.249 8.007 436 2HB ALA 59 2HB ALA 59 7.060 -4.037 9.763 437 3HB ALA 59 3HB ALA 59 5.624 -4.543 8.853 438 H PHE 60 H PHE 60 7.628 -1.861 6.549 439 HA PHE 60 HA PHE 60 9.946 -1.008 7.869 440 1HB PHE 60 2HB PHE 60 10.768 -0.181 5.874 441 2HB PHE 60 3HB PHE 60 9.805 -1.593 5.476 442 HD1 PHE 60 1HD PHE 60 8.253 -1.409 3.671 443 HD2 PHE 60 2HD PHE 60 9.838 2.165 5.464 444 HE1 PHE 60 1HE PHE 60 7.073 -0.040 1.978 445 HE2 PHE 60 2HE PHE 60 8.752 3.517 3.702 446 HZ PHE 60 HZ PHE 60 7.265 2.440 2.035 447 H GLU 61 H GLU 61 7.025 0.886 7.301 448 HA GLU 61 HA GLU 61 8.235 3.168 8.840 449 1HB GLU 61 2HB GLU 61 6.612 3.127 6.316 450 2HB GLU 61 3HB GLU 61 6.328 4.443 7.464 451 1HG GLU 61 2HG GLU 61 9.192 3.908 6.766 452 2HG GLU 61 3HG GLU 61 8.131 4.604 5.521 453 H HIS 62 H HIS 62 6.102 0.640 9.050 454 HA HIS 62 HA HIS 62 4.488 0.088 10.541 455 1HB HIS 62 2HB HIS 62 5.362 2.595 12.047 456 2HB HIS 62 3HB HIS 62 4.232 1.384 12.641 457 HD1 HIS 62 1HD HIS 62 6.816 -0.641 11.073 458 HD2 HIS 62 2HD HIS 62 6.399 1.615 14.599 459 HE1 HIS 62 1HE HIS 62 8.428 -1.633 12.761 460 H LEU 63 H LEU 63 3.506 0.993 8.271 461 HA LEU 63 HA LEU 63 1.793 3.301 8.614 462 1HB LEU 63 2HB LEU 63 2.046 1.106 6.538 463 2HB LEU 63 3HB LEU 63 0.622 2.146 6.525 464 HG LEU 63 HG LEU 63 2.270 2.968 5.027 465 1HD1 LEU 63 1HD1 LEU 63 1.924 5.164 5.486 466 2HD1 LEU 63 2HD1 LEU 63 0.692 4.454 6.526 467 3HD1 LEU 63 3HD1 LEU 63 2.210 5.022 7.234 468 1HD2 LEU 63 1HD2 LEU 63 4.072 3.511 7.421 469 2HD2 LEU 63 2HD2 LEU 63 4.347 2.254 6.194 470 3HD2 LEU 63 3HD2 LEU 63 4.376 3.975 5.746 471 H LYS 64 H LYS 64 -0.614 3.283 8.451 472 HA LYS 64 HA LYS 64 -1.758 1.110 10.160 473 1HB LYS 64 2HB LYS 64 -2.955 2.950 11.398 474 2HB LYS 64 3HB LYS 64 -1.260 2.627 11.746 475 1HG LYS 64 2HG LYS 64 -1.048 4.847 11.739 476 2HG LYS 64 3HG LYS 64 -0.831 4.639 10.032 477 1HD LYS 64 2HD LYS 64 -2.385 6.207 9.886 478 2HD LYS 64 3HD LYS 64 -3.548 4.933 10.015 479 1HE LYS 64 2HE LYS 64 -2.522 6.624 12.345 480 2HE LYS 64 3HE LYS 64 -4.084 6.805 11.535 481 1HZ LYS 64 1HZ LYS 64 -3.215 4.404 12.997 482 2HZ LYS 64 2HZ LYS 64 -4.272 5.533 13.561 483 3HZ LYS 64 3HZ LYS 64 -4.671 4.605 12.259 484 H ILE 65 H ILE 65 -2.289 0.460 7.935 485 HA ILE 65 HA ILE 65 -4.179 2.120 6.556 486 HB ILE 65 HB ILE 65 -3.780 -0.732 5.719 487 1HG1 ILE 65 2HG1 ILE 65 -1.621 1.359 5.673 488 2HG1 ILE 65 3HG1 ILE 65 -1.609 -0.359 6.184 489 1HG2 ILE 65 1HG2 ILE 65 -4.068 1.846 4.184 490 2HG2 ILE 65 2HG2 ILE 65 -4.024 0.226 3.489 491 3HG2 ILE 65 3HG2 ILE 65 -5.354 0.702 4.538 492 1HD1 ILE 65 1HD1 ILE 65 -1.455 0.743 3.408 493 2HD1 ILE 65 2HD1 ILE 65 -0.457 -0.483 4.247 494 3HD1 ILE 65 3HD1 ILE 65 -2.064 -0.895 3.733 495 H ILE 66 H ILE 66 -6.441 1.807 6.313 496 HA ILE 66 HA ILE 66 -7.686 -0.268 8.063 497 HB ILE 66 HB ILE 66 -8.470 2.642 7.731 498 1HG1 ILE 66 2HG1 ILE 66 -7.435 1.118 10.175 499 2HG1 ILE 66 3HG1 ILE 66 -6.467 2.224 9.195 500 1HG2 ILE 66 1HG2 ILE 66 -10.463 1.135 7.975 501 2HG2 ILE 66 2HG2 ILE 66 -9.751 0.478 9.465 502 3HG2 ILE 66 3HG2 ILE 66 -10.247 2.178 9.368 503 1HD1 ILE 66 1HD1 ILE 66 -7.149 3.408 11.130 504 2HD1 ILE 66 2HD1 ILE 66 -8.013 4.085 9.736 505 3HD1 ILE 66 3HD1 ILE 66 -8.853 3.012 10.886 506 HA PRO 67 HA PRO 67 -9.950 -1.005 4.178 507 1HB PRO 67 2HB PRO 67 -11.708 -2.900 5.037 508 2HB PRO 67 3HB PRO 67 -9.978 -3.245 4.799 509 1HG PRO 67 2HG PRO 67 -11.371 -2.606 7.397 510 2HG PRO 67 3HG PRO 67 -10.205 -3.918 7.067 511 1HD PRO 67 2HD PRO 67 -9.480 -1.562 8.216 512 2HD PRO 67 3HD PRO 67 -8.379 -2.424 7.101 513 H GLU 68 H GLU 68 -11.019 0.889 3.780 514 HA GLU 68 HA GLU 68 -12.962 2.128 5.389 515 1HB GLU 68 2HB GLU 68 -12.658 2.205 2.344 516 2HB GLU 68 3HB GLU 68 -13.550 3.368 3.343 517 1HG GLU 68 2HG GLU 68 -11.431 3.863 4.587 518 2HG GLU 68 3HG GLU 68 -10.549 2.821 3.452 519 H LYS 69 H LYS 69 -13.303 -0.332 2.848 520 HA LYS 69 HA LYS 69 -15.675 -1.379 4.064 521 1HB LYS 69 2HB LYS 69 -16.078 0.364 1.820 522 2HB LYS 69 3HB LYS 69 -16.098 -1.261 1.150 523 1HG LYS 69 2HG LYS 69 -18.322 -0.963 1.653 524 2HG LYS 69 3HG LYS 69 -17.777 -1.802 3.102 525 1HD LYS 69 2HD LYS 69 -17.460 0.483 4.194 526 2HD LYS 69 3HD LYS 69 -18.163 1.207 2.736 527 1HE LYS 69 2HE LYS 69 -20.231 -0.262 3.157 528 2HE LYS 69 3HE LYS 69 -19.494 -0.724 4.700 529 1HZ LYS 69 1HZ LYS 69 -19.491 1.634 5.289 530 2HZ LYS 69 2HZ LYS 69 -20.270 1.998 3.885 531 3HZ LYS 69 3HZ LYS 69 -21.011 1.063 5.015 532 H GLU 70 H GLU 70 -16.091 -3.558 2.802 533 HA GLU 70 HA GLU 70 -15.065 -5.617 2.706 534 1HB GLU 70 2HB GLU 70 -15.173 -4.143 0.084 535 2HB GLU 70 3HB GLU 70 -14.644 -5.827 0.158 536 1HG GLU 70 2HG GLU 70 -16.981 -5.851 -0.297 537 2HG GLU 70 3HG GLU 70 -16.753 -6.457 1.339 538 H ALA 71 H ALA 71 -13.309 -5.904 3.931 539 HA ALA 71 HA ALA 71 -10.658 -5.012 3.317 540 1HB ALA 71 1HB ALA 71 -11.646 -7.256 5.132 541 2HB ALA 71 2HB ALA 71 -10.033 -6.517 5.176 542 3HB ALA 71 3HB ALA 71 -11.465 -5.556 5.616 Start of MODEL 7 1 1H MET 1 H1 MET 1 -6.809 -15.507 -4.088 2 2H MET 1 H2 MET 1 -7.015 -16.824 -5.093 3 3H MET 1 H3 MET 1 -7.071 -15.347 -5.728 4 HA MET 1 HA MET 1 -9.230 -15.821 -5.681 5 1HB MET 1 2HB MET 1 -8.844 -17.072 -2.923 6 2HB MET 1 3HB MET 1 -10.359 -16.956 -3.833 7 1HG MET 1 2HG MET 1 -9.559 -19.158 -4.196 8 2HG MET 1 3HG MET 1 -9.231 -18.274 -5.689 9 1HE MET 1 1HE MET 1 -7.508 -19.872 -6.709 10 2HE MET 1 2HE MET 1 -6.211 -20.661 -5.784 11 3HE MET 1 3HE MET 1 -7.912 -21.017 -5.404 12 H ALA 2 H ALA 2 -9.446 -13.506 -5.737 13 HA ALA 2 HA ALA 2 -10.550 -12.197 -3.503 14 1HB ALA 2 1HB ALA 2 -7.698 -11.360 -4.190 15 2HB ALA 2 2HB ALA 2 -8.770 -10.539 -3.043 16 3HB ALA 2 3HB ALA 2 -8.165 -12.149 -2.676 17 H GLU 3 H GLU 3 -9.942 -9.529 -4.337 18 HA GLU 3 HA GLU 3 -10.347 -9.362 -7.215 19 1HB GLU 3 2HB GLU 3 -12.649 -9.681 -5.831 20 2HB GLU 3 3HB GLU 3 -12.427 -7.962 -5.518 21 1HG GLU 3 2HG GLU 3 -12.198 -7.754 -8.137 22 2HG GLU 3 3HG GLU 3 -12.725 -9.436 -8.171 23 H LYS 4 H LYS 4 -11.258 -6.579 -6.944 24 HA LYS 4 HA LYS 4 -8.679 -5.348 -6.157 25 1HB LYS 4 2HB LYS 4 -9.677 -3.298 -7.156 26 2HB LYS 4 3HB LYS 4 -9.449 -4.642 -8.299 27 1HG LYS 4 2HG LYS 4 -11.737 -5.054 -8.526 28 2HG LYS 4 3HG LYS 4 -12.144 -4.315 -6.985 29 1HD LYS 4 2HD LYS 4 -12.922 -2.961 -8.804 30 2HD LYS 4 3HD LYS 4 -11.755 -2.069 -7.839 31 1HE LYS 4 2HE LYS 4 -11.030 -3.508 -10.454 32 2HE LYS 4 3HE LYS 4 -11.656 -1.857 -10.408 33 1HZ LYS 4 1HZ LYS 4 -9.089 -2.716 -9.197 34 2HZ LYS 4 2HZ LYS 4 -9.322 -1.777 -10.505 35 3HZ LYS 4 3HZ LYS 4 -9.772 -1.236 -9.028 36 H THR 5 H THR 5 -8.600 -3.476 -4.711 37 HA THR 5 HA THR 5 -10.990 -2.725 -3.249 38 HB THR 5 HB THR 5 -8.750 -4.194 -1.738 39 HG1 THR 5 1HG THR 5 -11.111 -4.794 -2.769 40 1HG2 THR 5 1HG2 THR 5 -9.547 -2.379 -0.257 41 2HG2 THR 5 2HG2 THR 5 -11.235 -2.721 -0.701 42 3HG2 THR 5 3HG2 THR 5 -10.305 -3.887 0.248 43 H VAL 6 H VAL 6 -10.506 -0.835 -1.846 44 HA VAL 6 HA VAL 6 -7.773 -0.083 -1.947 45 HB VAL 6 HB VAL 6 -8.695 1.222 -3.708 46 1HG1 VAL 6 1HG1 VAL 6 -10.597 2.717 -3.579 47 2HG1 VAL 6 2HG1 VAL 6 -11.038 1.021 -3.395 48 3HG1 VAL 6 3HG1 VAL 6 -10.990 2.082 -1.959 49 1HG2 VAL 6 1HG2 VAL 6 -8.413 3.559 -3.038 50 2HG2 VAL 6 2HG2 VAL 6 -8.774 3.159 -1.342 51 3HG2 VAL 6 3HG2 VAL 6 -7.271 2.608 -2.091 52 H TYR 7 H TYR 7 -7.012 1.238 -0.269 53 HA TYR 7 HA TYR 7 -8.671 1.109 2.210 54 1HB TYR 7 2HB TYR 7 -5.762 0.287 1.926 55 2HB TYR 7 3HB TYR 7 -6.811 0.082 3.327 56 HD1 TYR 7 HD1 TYR 7 -6.141 -1.102 -0.165 57 HD2 TYR 7 HD2 TYR 7 -7.760 -2.007 3.704 58 HE1 TYR 7 HE1 TYR 7 -6.461 -3.459 -0.840 59 HE2 TYR 7 HE2 TYR 7 -8.220 -4.324 2.982 60 HH TYR 7 HH TYR 7 -8.164 -5.835 1.123 61 H ARG 8 H ARG 8 -8.123 2.771 3.735 62 HA ARG 8 HA ARG 8 -6.599 5.060 2.546 63 1HB ARG 8 2HB ARG 8 -8.273 4.938 5.079 64 2HB ARG 8 3HB ARG 8 -7.470 6.365 4.393 65 1HG ARG 8 2HG ARG 8 -8.851 5.988 2.272 66 2HG ARG 8 3HG ARG 8 -9.750 4.766 3.198 67 1HD ARG 8 2HD ARG 8 -10.071 6.622 4.980 68 2HD ARG 8 3HD ARG 8 -9.522 7.763 3.723 69 HE ARG 8 HE ARG 8 -11.531 6.091 2.596 70 1HH1 ARG 8 2HH2 ARG 8 -11.432 8.567 5.102 71 2HH1 ARG 8 1HH2 ARG 8 -13.160 8.773 5.137 72 1HH2 ARG 8 2HH1 ARG 8 -13.573 6.272 2.577 73 2HH2 ARG 8 1HH1 ARG 8 -14.511 7.366 3.604 74 H VAL 9 H VAL 9 -4.578 5.569 3.259 75 HA VAL 9 HA VAL 9 -3.472 4.176 5.661 76 HB VAL 9 HB VAL 9 -2.094 3.573 3.908 77 1HG1 VAL 9 1HG1 VAL 9 -2.944 4.879 2.070 78 2HG1 VAL 9 2HG1 VAL 9 -2.312 6.386 2.785 79 3HG1 VAL 9 3HG1 VAL 9 -1.215 5.115 2.189 80 1HG2 VAL 9 1HG2 VAL 9 0.004 4.635 4.331 81 2HG2 VAL 9 2HG2 VAL 9 -0.764 6.118 4.878 82 3HG2 VAL 9 3HG2 VAL 9 -0.905 4.602 5.824 83 H ASP 10 H ASP 10 -2.263 5.430 7.172 84 HA ASP 10 HA ASP 10 -2.225 8.349 6.772 85 1HB ASP 10 2HB ASP 10 -4.399 7.635 8.038 86 2HB ASP 10 3HB ASP 10 -3.287 7.004 9.221 87 H GLY 11 H GLY 11 -0.703 9.294 8.220 88 1HA GLY 11 1HA GLY 11 0.510 9.110 10.299 89 2HA GLY 11 2HA GLY 11 1.058 7.488 9.856 90 H LEU 12 H LEU 12 1.984 7.644 7.414 91 HA LEU 12 HA LEU 12 4.514 8.908 7.741 92 1HB LEU 12 2HB LEU 12 5.134 7.819 5.770 93 2HB LEU 12 3HB LEU 12 4.028 6.764 6.595 94 HG LEU 12 HG LEU 12 3.274 6.488 4.521 95 1HD1 LEU 12 1HD1 LEU 12 1.276 7.534 3.881 96 2HD1 LEU 12 2HD1 LEU 12 1.256 7.425 5.629 97 3HD1 LEU 12 3HD1 LEU 12 1.594 8.974 4.837 98 1HD2 LEU 12 1HD2 LEU 12 3.525 7.901 2.627 99 2HD2 LEU 12 2HD2 LEU 12 3.722 9.342 3.624 100 3HD2 LEU 12 3HD2 LEU 12 4.995 8.098 3.567 101 H SER 13 H SER 13 5.539 10.196 5.834 102 HA SER 13 HA SER 13 3.761 11.904 4.293 103 1HB SER 13 2HB SER 13 4.455 14.034 5.305 104 2HB SER 13 3HB SER 13 3.587 13.045 6.486 105 HG SER 13 HG SER 13 6.405 13.256 6.212 106 H CYS 14 H CYS 14 5.413 10.315 3.028 107 HA CYS 14 HA CYS 14 7.443 12.156 1.998 108 1HB CYS 14 2HB CYS 14 8.651 11.026 3.864 109 2HB CYS 14 3HB CYS 14 8.297 9.453 3.112 110 HG CYS 14 HG CYS 14 9.887 12.081 1.909 111 H THR 15 H THR 15 7.182 12.088 -0.136 112 HA THR 15 HA THR 15 5.797 10.146 -1.595 113 HB THR 15 HB THR 15 6.179 12.373 -2.436 114 HG1 THR 15 1HG THR 15 5.901 10.676 -3.950 115 1HG2 THR 15 1HG2 THR 15 9.118 11.645 -2.823 116 2HG2 THR 15 2HG2 THR 15 8.310 13.129 -3.339 117 3HG2 THR 15 3HG2 THR 15 8.505 12.798 -1.614 118 H ASN 16 H ASN 16 9.292 10.261 -0.799 119 HA ASN 16 HA ASN 16 10.132 8.184 -2.433 120 1HB ASN 16 2HB ASN 16 11.592 9.707 -1.054 121 2HB ASN 16 3HB ASN 16 11.149 8.750 0.374 122 1HD2 ASN 16 1HD2 ASN 16 13.536 8.450 0.534 123 2HD2 ASN 16 2HD2 ASN 16 14.265 7.182 -0.435 124 H CYS 17 H CYS 17 8.468 8.107 0.728 125 HA CYS 17 HA CYS 17 8.779 5.230 1.083 126 1HB CYS 17 2HB CYS 17 7.176 7.362 2.508 127 2HB CYS 17 3HB CYS 17 6.924 5.642 2.813 128 HG CYS 17 HG CYS 17 9.313 5.012 3.403 129 H ALA 18 H ALA 18 6.263 7.418 -0.252 130 HA ALA 18 HA ALA 18 4.330 5.393 -0.824 131 1HB ALA 18 1HB ALA 18 3.440 6.896 -2.477 132 2HB ALA 18 2HB ALA 18 3.959 7.863 -1.080 133 3HB ALA 18 3HB ALA 18 4.942 7.821 -2.556 134 H ALA 19 H ALA 19 7.195 6.495 -2.639 135 HA ALA 19 HA ALA 19 6.857 4.762 -4.900 136 1HB ALA 19 1HB ALA 19 8.353 6.721 -4.915 137 2HB ALA 19 2HB ALA 19 9.446 5.913 -3.773 138 3HB ALA 19 3HB ALA 19 9.198 5.233 -5.390 139 H LYS 20 H LYS 20 8.817 4.409 -1.914 140 HA LYS 20 HA LYS 20 9.808 1.831 -2.304 141 1HB LYS 20 2HB LYS 20 10.004 3.594 -0.265 142 2HB LYS 20 3HB LYS 20 8.704 2.623 0.412 143 1HG LYS 20 2HG LYS 20 10.467 1.480 1.291 144 2HG LYS 20 3HG LYS 20 10.367 0.605 -0.245 145 1HD LYS 20 2HD LYS 20 12.030 2.325 -1.186 146 2HD LYS 20 3HD LYS 20 12.165 2.978 0.460 147 1HE LYS 20 2HE LYS 20 12.891 0.668 1.241 148 2HE LYS 20 3HE LYS 20 12.900 0.153 -0.455 149 1HZ LYS 20 1HZ LYS 20 14.565 2.281 0.726 150 2HZ LYS 20 2HZ LYS 20 15.077 0.794 0.252 151 3HZ LYS 20 3HZ LYS 20 14.556 1.878 -0.870 152 H PHE 21 H PHE 21 6.690 2.842 -0.935 153 HA PHE 21 HA PHE 21 5.596 0.317 -0.418 154 1HB PHE 21 2HB PHE 21 4.519 3.080 -0.735 155 2HB PHE 21 3HB PHE 21 3.372 1.801 -1.033 156 HD1 PHE 21 1HD PHE 21 4.731 3.830 1.500 157 HD2 PHE 21 2HD PHE 21 3.367 -0.189 0.704 158 HE1 PHE 21 1HE PHE 21 4.528 3.420 3.921 159 HE2 PHE 21 2HE PHE 21 2.972 -0.528 3.119 160 HZ PHE 21 HZ PHE 21 3.572 1.271 4.735 161 H GLU 22 H GLU 22 4.903 2.334 -3.429 162 HA GLU 22 HA GLU 22 3.306 0.253 -4.454 163 1HB GLU 22 2HB GLU 22 3.298 1.272 -6.558 164 2HB GLU 22 3HB GLU 22 3.241 2.503 -5.319 165 1HG GLU 22 2HG GLU 22 4.621 3.497 -6.834 166 2HG GLU 22 3HG GLU 22 5.782 2.781 -5.724 167 H ARG 23 H ARG 23 6.757 0.783 -4.865 168 HA ARG 23 HA ARG 23 7.275 -1.415 -6.595 169 1HB ARG 23 2HB ARG 23 8.729 0.542 -5.946 170 2HB ARG 23 3HB ARG 23 9.135 -0.285 -4.443 171 1HG ARG 23 2HG ARG 23 10.452 -1.878 -5.525 172 2HG ARG 23 3HG ARG 23 9.510 -1.807 -7.031 173 1HD ARG 23 2HD ARG 23 10.348 0.386 -7.570 174 2HD ARG 23 3HD ARG 23 11.246 0.482 -6.030 175 HE ARG 23 HE ARG 23 12.143 -1.829 -7.352 176 1HH1 ARG 23 2HH2 ARG 23 12.072 1.637 -7.934 177 2HH1 ARG 23 1HH2 ARG 23 13.567 1.714 -8.815 178 1HH2 ARG 23 2HH1 ARG 23 14.162 -1.796 -8.519 179 2HH2 ARG 23 1HH1 ARG 23 14.785 -0.308 -9.157 180 H ASN 24 H ASN 24 7.429 -1.307 -2.969 181 HA ASN 24 HA ASN 24 8.011 -4.074 -2.588 182 1HB ASN 24 2HB ASN 24 6.858 -1.848 -0.925 183 2HB ASN 24 3HB ASN 24 6.307 -3.455 -0.496 184 1HD2 ASN 24 1HD2 ASN 24 7.434 -2.612 1.554 185 2HD2 ASN 24 2HD2 ASN 24 9.017 -3.319 1.752 186 H VAL 25 H VAL 25 4.891 -2.406 -3.006 187 HA VAL 25 HA VAL 25 3.296 -4.751 -2.747 188 HB VAL 25 HB VAL 25 2.748 -2.112 -4.172 189 1HG1 VAL 25 1HG1 VAL 25 0.338 -2.790 -3.846 190 2HG1 VAL 25 2HG1 VAL 25 1.200 -3.716 -5.087 191 3HG1 VAL 25 3HG1 VAL 25 0.889 -4.430 -3.486 192 1HG2 VAL 25 1HG2 VAL 25 1.402 -1.679 -2.103 193 2HG2 VAL 25 2HG2 VAL 25 1.994 -3.225 -1.450 194 3HG2 VAL 25 3HG2 VAL 25 3.108 -1.901 -1.708 195 H LYS 26 H LYS 26 4.699 -3.191 -5.696 196 HA LYS 26 HA LYS 26 3.760 -5.047 -7.582 197 1HB LYS 26 2HB LYS 26 6.066 -3.148 -7.303 198 2HB LYS 26 3HB LYS 26 6.117 -4.251 -8.646 199 1HG LYS 26 2HG LYS 26 4.061 -3.443 -9.542 200 2HG LYS 26 3HG LYS 26 3.639 -2.584 -8.036 201 1HD LYS 26 2HD LYS 26 5.369 -0.972 -8.320 202 2HD LYS 26 3HD LYS 26 6.205 -1.954 -9.500 203 1HE LYS 26 2HE LYS 26 5.178 -0.116 -10.675 204 2HE LYS 26 3HE LYS 26 4.295 -1.583 -11.137 205 1HZ LYS 26 1HZ LYS 26 2.804 0.225 -10.615 206 2HZ LYS 26 2HZ LYS 26 2.646 -0.896 -9.412 207 3HZ LYS 26 3HZ LYS 26 3.573 0.465 -9.177 208 H GLU 27 H GLU 27 6.583 -5.356 -5.361 209 HA GLU 27 HA GLU 27 7.575 -7.763 -6.514 210 1HB GLU 27 2HB GLU 27 7.665 -6.817 -3.640 211 2HB GLU 27 3HB GLU 27 8.575 -8.176 -4.280 212 1HG GLU 27 2HG GLU 27 8.901 -5.637 -5.841 213 2HG GLU 27 3HG GLU 27 9.498 -5.596 -4.182 214 H ILE 28 H ILE 28 4.600 -7.272 -4.664 215 HA ILE 28 HA ILE 28 4.395 -10.026 -3.745 216 HB ILE 28 HB ILE 28 2.257 -7.947 -4.143 217 1HG1 ILE 28 2HG1 ILE 28 3.520 -8.669 -1.471 218 2HG1 ILE 28 3HG1 ILE 28 4.117 -7.329 -2.458 219 1HG2 ILE 28 1HG2 ILE 28 2.211 -10.643 -2.823 220 2HG2 ILE 28 2HG2 ILE 28 1.042 -9.389 -2.370 221 3HG2 ILE 28 3HG2 ILE 28 1.109 -9.940 -4.028 222 1HD1 ILE 28 1HD1 ILE 28 1.321 -7.540 -1.297 223 2HD1 ILE 28 2HD1 ILE 28 2.592 -6.386 -0.879 224 3HD1 ILE 28 3HD1 ILE 28 1.810 -6.341 -2.476 225 H GLU 29 H GLU 29 3.671 -11.736 -4.939 226 HA GLU 29 HA GLU 29 3.160 -11.468 -7.748 227 1HB GLU 29 2HB GLU 29 3.302 -13.729 -5.698 228 2HB GLU 29 3HB GLU 29 2.699 -14.018 -7.313 229 1HG GLU 29 2HG GLU 29 4.801 -13.163 -8.298 230 2HG GLU 29 3HG GLU 29 5.449 -12.888 -6.671 231 H GLY 30 H GLY 30 1.206 -11.721 -4.977 232 1HA GLY 30 1HA GLY 30 -1.196 -12.745 -6.157 233 2HA GLY 30 2HA GLY 30 -1.071 -11.889 -4.618 234 H VAL 31 H VAL 31 0.126 -9.406 -6.072 235 HA VAL 31 HA VAL 31 -2.492 -8.290 -6.822 236 HB VAL 31 HB VAL 31 -1.014 -7.296 -5.040 237 1HG1 VAL 31 1HG1 VAL 31 0.666 -6.370 -7.413 238 2HG1 VAL 31 2HG1 VAL 31 0.843 -5.895 -5.713 239 3HG1 VAL 31 3HG1 VAL 31 1.164 -7.562 -6.193 240 1HG2 VAL 31 1HG2 VAL 31 -2.807 -6.085 -6.273 241 2HG2 VAL 31 2HG2 VAL 31 -1.508 -5.069 -5.603 242 3HG2 VAL 31 3HG2 VAL 31 -1.543 -5.409 -7.340 243 H THR 32 H THR 32 -2.411 -6.737 -8.708 244 HA THR 32 HA THR 32 -0.479 -7.543 -10.835 245 HB THR 32 HB THR 32 -3.427 -6.908 -11.259 246 HG1 THR 32 1HG THR 32 -1.995 -9.321 -10.973 247 1HG2 THR 32 1HG2 THR 32 -1.995 -6.359 -13.194 248 2HG2 THR 32 2HG2 THR 32 -1.270 -7.980 -13.131 249 3HG2 THR 32 3HG2 THR 32 -2.992 -7.787 -13.522 250 H GLU 33 H GLU 33 -2.985 -5.070 -9.954 251 HA GLU 33 HA GLU 33 -0.903 -2.961 -10.552 252 1HB GLU 33 2HB GLU 33 -3.755 -3.128 -11.569 253 2HB GLU 33 3HB GLU 33 -2.860 -1.608 -11.447 254 1HG GLU 33 2HG GLU 33 -1.274 -3.719 -12.798 255 2HG GLU 33 3HG GLU 33 -2.792 -3.352 -13.609 256 H ALA 34 H ALA 34 -0.511 -2.079 -8.621 257 HA ALA 34 HA ALA 34 -2.825 -1.471 -6.842 258 1HB ALA 34 1HB ALA 34 0.153 -1.597 -6.217 259 2HB ALA 34 2HB ALA 34 -1.124 -1.117 -5.079 260 3HB ALA 34 3HB ALA 34 -1.091 -2.771 -5.721 261 H ILE 35 H ILE 35 -3.305 0.699 -6.528 262 HA ILE 35 HA ILE 35 -1.495 2.678 -7.932 263 HB ILE 35 HB ILE 35 -4.498 2.940 -7.652 264 1HG1 ILE 35 2HG1 ILE 35 -4.010 1.262 -9.355 265 2HG1 ILE 35 3HG1 ILE 35 -4.623 2.752 -10.061 266 1HG2 ILE 35 1HG2 ILE 35 -4.133 4.933 -9.099 267 2HG2 ILE 35 2HG2 ILE 35 -3.416 5.081 -7.490 268 3HG2 ILE 35 3HG2 ILE 35 -2.380 4.735 -8.883 269 1HD1 ILE 35 1HD1 ILE 35 -1.700 1.870 -10.054 270 2HD1 ILE 35 2HD1 ILE 35 -2.819 1.839 -11.419 271 3HD1 ILE 35 3HD1 ILE 35 -2.313 3.392 -10.742 272 H VAL 36 H VAL 36 -0.237 3.201 -6.224 273 HA VAL 36 HA VAL 36 -1.572 3.665 -3.634 274 HB VAL 36 HB VAL 36 0.234 3.076 -2.609 275 1HG1 VAL 36 1HG1 VAL 36 1.313 1.169 -3.519 276 2HG1 VAL 36 2HG1 VAL 36 -0.340 1.195 -4.148 277 3HG1 VAL 36 3HG1 VAL 36 1.004 1.690 -5.188 278 1HG2 VAL 36 1HG2 VAL 36 2.593 3.324 -3.341 279 2HG2 VAL 36 2HG2 VAL 36 2.004 4.152 -4.814 280 3HG2 VAL 36 3HG2 VAL 36 1.746 4.860 -3.221 281 H ASN 37 H ASN 37 -1.759 5.667 -2.729 282 HA ASN 37 HA ASN 37 -0.303 7.929 -4.086 283 1HB ASN 37 2HB ASN 37 -2.926 7.915 -2.569 284 2HB ASN 37 3HB ASN 37 -2.031 9.361 -3.069 285 1HD2 ASN 37 1HD2 ASN 37 -3.457 6.323 -4.457 286 2HD2 ASN 37 2HD2 ASN 37 -3.917 7.096 -5.964 287 H PHE 38 H PHE 38 -1.451 6.679 -0.900 288 HA PHE 38 HA PHE 38 -0.636 7.058 1.212 289 1HB PHE 38 2HB PHE 38 1.922 6.820 -0.399 290 2HB PHE 38 3HB PHE 38 1.998 7.091 1.308 291 HD1 PHE 38 1HD PHE 38 0.828 4.691 -1.213 292 HD2 PHE 38 2HD PHE 38 1.748 5.378 2.921 293 HE1 PHE 38 1HE PHE 38 0.766 2.212 -0.741 294 HE2 PHE 38 2HE PHE 38 1.334 2.980 3.408 295 HZ PHE 38 HZ PHE 38 0.798 1.416 1.586 296 H GLY 39 H GLY 39 1.484 8.740 2.239 297 1HA GLY 39 1HA GLY 39 2.064 10.897 2.623 298 2HA GLY 39 2HA GLY 39 1.267 11.399 1.126 299 H ALA 40 H ALA 40 -1.187 11.211 1.222 300 HA ALA 40 HA ALA 40 -2.566 11.461 3.760 301 1HB ALA 40 1HB ALA 40 -1.566 13.720 3.720 302 2HB ALA 40 2HB ALA 40 -2.184 13.984 2.075 303 3HB ALA 40 3HB ALA 40 -3.312 13.813 3.437 304 H SER 41 H SER 41 -3.000 9.613 2.015 305 HA SER 41 HA SER 41 -5.521 10.216 0.669 306 1HB SER 41 2HB SER 41 -2.979 9.696 -0.906 307 2HB SER 41 3HB SER 41 -4.607 9.427 -1.580 308 HG SER 41 HG SER 41 -4.171 11.891 -0.398 309 H LYS 42 H LYS 42 -4.007 7.584 -0.887 310 HA LYS 42 HA LYS 42 -4.853 5.588 1.016 311 1HB LYS 42 2HB LYS 42 -6.823 4.846 -0.311 312 2HB LYS 42 3HB LYS 42 -7.008 6.429 0.425 313 1HG LYS 42 2HG LYS 42 -6.181 7.260 -2.006 314 2HG LYS 42 3HG LYS 42 -6.802 5.682 -2.485 315 1HD LYS 42 2HD LYS 42 -8.279 7.858 -0.933 316 2HD LYS 42 3HD LYS 42 -8.485 7.508 -2.658 317 1HE LYS 42 2HE LYS 42 -9.473 5.340 -2.203 318 2HE LYS 42 3HE LYS 42 -9.052 5.417 -0.485 319 1HZ LYS 42 1HZ LYS 42 -10.628 7.195 -0.240 320 2HZ LYS 42 2HZ LYS 42 -11.088 7.042 -1.828 321 3HZ LYS 42 3HZ LYS 42 -11.266 5.789 -0.767 322 H ILE 43 H ILE 43 -5.152 3.443 -0.216 323 HA ILE 43 HA ILE 43 -3.157 3.155 -2.376 324 HB ILE 43 HB ILE 43 -1.964 2.859 -0.356 325 1HG1 ILE 43 2HG1 ILE 43 -1.321 1.324 -2.145 326 2HG1 ILE 43 3HG1 ILE 43 -0.964 0.730 -0.522 327 1HG2 ILE 43 1HG2 ILE 43 -4.029 0.858 0.575 328 2HG2 ILE 43 2HG2 ILE 43 -2.443 1.114 1.305 329 3HG2 ILE 43 3HG2 ILE 43 -3.620 2.430 1.294 330 1HD1 ILE 43 1HD1 ILE 43 -3.157 -0.282 -2.325 331 2HD1 ILE 43 2HD1 ILE 43 -1.683 -1.102 -1.825 332 3HD1 ILE 43 3HD1 ILE 43 -2.943 -0.772 -0.626 333 H THR 44 H THR 44 -4.239 2.339 -4.049 334 HA THR 44 HA THR 44 -6.474 0.439 -3.616 335 HB THR 44 HB THR 44 -5.417 1.699 -6.162 336 HG1 THR 44 1HG THR 44 -6.988 2.477 -4.189 337 1HG2 THR 44 1HG2 THR 44 -7.593 1.003 -7.124 338 2HG2 THR 44 2HG2 THR 44 -6.594 -0.392 -6.694 339 3HG2 THR 44 3HG2 THR 44 -7.950 0.085 -5.650 340 H VAL 45 H VAL 45 -6.364 -1.625 -4.228 341 HA VAL 45 HA VAL 45 -3.831 -2.803 -5.276 342 HB VAL 45 HB VAL 45 -5.854 -3.765 -3.243 343 1HG1 VAL 45 1HG1 VAL 45 -4.515 -5.811 -2.999 344 2HG1 VAL 45 2HG1 VAL 45 -5.080 -5.681 -4.670 345 3HG1 VAL 45 3HG1 VAL 45 -3.400 -5.256 -4.249 346 1HG2 VAL 45 1HG2 VAL 45 -3.846 -3.921 -1.712 347 2HG2 VAL 45 2HG2 VAL 45 -2.909 -3.069 -2.959 348 3HG2 VAL 45 3HG2 VAL 45 -4.304 -2.281 -2.174 349 H THR 46 H THR 46 -4.301 -3.730 -7.325 350 HA THR 46 HA THR 46 -6.885 -5.124 -7.501 351 HB THR 46 HB THR 46 -5.697 -3.323 -9.681 352 HG1 THR 46 1HG THR 46 -7.254 -3.103 -7.743 353 1HG2 THR 46 1HG2 THR 46 -7.615 -4.091 -11.075 354 2HG2 THR 46 2HG2 THR 46 -6.420 -5.364 -10.819 355 3HG2 THR 46 3HG2 THR 46 -7.939 -5.390 -9.904 356 H GLY 47 H GLY 47 -6.676 -7.066 -8.293 357 1HA GLY 47 1HA GLY 47 -5.093 -8.182 -10.100 358 2HA GLY 47 2HA GLY 47 -4.000 -8.161 -8.712 359 H GLU 48 H GLU 48 -4.280 -9.616 -7.069 360 HA GLU 48 HA GLU 48 -6.888 -10.678 -6.379 361 1HB GLU 48 2HB GLU 48 -5.575 -12.029 -8.396 362 2HB GLU 48 3HB GLU 48 -4.899 -12.854 -7.002 363 1HG GLU 48 2HG GLU 48 -7.248 -13.244 -6.209 364 2HG GLU 48 3HG GLU 48 -7.856 -12.447 -7.676 365 H ALA 49 H ALA 49 -5.342 -9.031 -4.860 366 HA ALA 49 HA ALA 49 -4.696 -10.765 -2.565 367 1HB ALA 49 1HB ALA 49 -2.554 -9.580 -2.140 368 2HB ALA 49 2HB ALA 49 -2.527 -10.461 -3.668 369 3HB ALA 49 3HB ALA 49 -2.743 -8.697 -3.671 370 H SER 50 H SER 50 -4.081 -9.212 -0.660 371 HA SER 50 HA SER 50 -6.072 -7.000 -0.525 372 1HB SER 50 2HB SER 50 -5.448 -9.256 1.439 373 2HB SER 50 3HB SER 50 -6.380 -7.823 1.876 374 HG SER 50 HG SER 50 -7.690 -9.635 1.165 375 H ILE 51 H ILE 51 -5.628 -5.502 1.315 376 HA ILE 51 HA ILE 51 -3.083 -4.452 1.301 377 HB ILE 51 HB ILE 51 -5.126 -3.339 2.232 378 1HG1 ILE 51 2HG1 ILE 51 -2.803 -2.407 2.266 379 2HG1 ILE 51 3HG1 ILE 51 -4.058 -1.692 3.260 380 1HG2 ILE 51 1HG2 ILE 51 -5.739 -5.038 3.964 381 2HG2 ILE 51 2HG2 ILE 51 -4.269 -4.606 4.872 382 3HG2 ILE 51 3HG2 ILE 51 -5.542 -3.403 4.633 383 1HD1 ILE 51 1HD1 ILE 51 -3.178 -2.603 5.296 384 2HD1 ILE 51 2HD1 ILE 51 -2.085 -3.663 4.421 385 3HD1 ILE 51 3HD1 ILE 51 -1.789 -1.954 4.414 386 H GLN 52 H GLN 52 -4.196 -7.017 3.503 387 HA GLN 52 HA GLN 52 -2.493 -7.187 5.520 388 1HB GLN 52 2HB GLN 52 -3.157 -9.382 3.513 389 2HB GLN 52 3HB GLN 52 -2.353 -9.718 5.044 390 1HG GLN 52 2HG GLN 52 -5.072 -8.336 4.857 391 2HG GLN 52 3HG GLN 52 -4.847 -10.082 5.026 392 1HE2 GLN 52 1HE2 GLN 52 -6.341 -8.973 6.977 393 2HE2 GLN 52 2HE2 GLN 52 -5.391 -8.829 8.446 394 H GLN 53 H GLN 53 -1.454 -8.184 2.258 395 HA GLN 53 HA GLN 53 1.264 -8.807 3.072 396 1HB GLN 53 2HB GLN 53 0.084 -8.317 0.337 397 2HB GLN 53 3HB GLN 53 1.744 -8.868 0.692 398 1HG GLN 53 2HG GLN 53 0.458 -10.688 2.181 399 2HG GLN 53 3HG GLN 53 -0.910 -10.259 1.143 400 1HE2 GLN 53 1HE2 GLN 53 -0.904 -12.421 0.360 401 2HE2 GLN 53 2HE2 GLN 53 0.319 -12.976 -0.781 402 H VAL 54 H VAL 54 -0.291 -5.948 1.671 403 HA VAL 54 HA VAL 54 2.050 -4.325 1.316 404 HB VAL 54 HB VAL 54 -0.805 -3.362 1.764 405 1HG1 VAL 54 1HG1 VAL 54 0.719 -1.567 1.907 406 2HG1 VAL 54 2HG1 VAL 54 1.636 -2.112 0.501 407 3HG1 VAL 54 3HG1 VAL 54 -0.018 -1.489 0.305 408 1HG2 VAL 54 1HG2 VAL 54 -0.893 -3.364 -0.796 409 2HG2 VAL 54 2HG2 VAL 54 0.454 -4.524 -0.733 410 3HG2 VAL 54 3HG2 VAL 54 -1.089 -4.920 0.013 411 H GLU 55 H GLU 55 -0.243 -4.970 3.996 412 HA GLU 55 HA GLU 55 0.648 -2.976 5.767 413 1HB GLU 55 2HB GLU 55 -1.328 -4.799 6.040 414 2HB GLU 55 3HB GLU 55 -0.086 -5.643 6.947 415 1HG GLU 55 2HG GLU 55 0.312 -3.465 8.222 416 2HG GLU 55 3HG GLU 55 -1.138 -2.832 7.424 417 H GLN 56 H GLN 56 1.519 -6.444 5.461 418 HA GLN 56 HA GLN 56 3.583 -6.626 7.266 419 1HB GLN 56 2HB GLN 56 2.353 -8.425 5.851 420 2HB GLN 56 3HB GLN 56 3.537 -8.073 4.586 421 1HG GLN 56 2HG GLN 56 4.324 -9.946 5.765 422 2HG GLN 56 3HG GLN 56 5.352 -8.597 6.276 423 1HE2 GLN 56 1HE2 GLN 56 5.437 -8.150 8.531 424 2HE2 GLN 56 2HE2 GLN 56 4.412 -8.974 9.695 425 H ALA 57 H ALA 57 3.818 -5.708 3.784 426 HA ALA 57 HA ALA 57 6.580 -5.126 3.694 427 1HB ALA 57 1HB ALA 57 5.906 -3.726 1.757 428 2HB ALA 57 2HB ALA 57 5.112 -5.302 1.729 429 3HB ALA 57 3HB ALA 57 4.223 -3.852 2.226 430 H GLY 58 H GLY 58 3.798 -2.941 4.440 431 1HA GLY 58 1HA GLY 58 5.251 -0.561 4.751 432 2HA GLY 58 2HA GLY 58 3.617 -0.934 5.374 433 H ALA 59 H ALA 59 4.845 -3.255 6.938 434 HA ALA 59 HA ALA 59 5.463 -2.271 9.421 435 1HB ALA 59 1HB ALA 59 5.274 -4.685 8.791 436 2HB ALA 59 2HB ALA 59 6.930 -4.589 8.130 437 3HB ALA 59 3HB ALA 59 6.646 -4.316 9.856 438 H PHE 60 H PHE 60 7.595 -2.017 6.545 439 HA PHE 60 HA PHE 60 9.993 -1.444 7.881 440 1HB PHE 60 2HB PHE 60 10.693 -0.170 5.979 441 2HB PHE 60 3HB PHE 60 9.946 -1.688 5.518 442 HD1 PHE 60 1HD PHE 60 9.181 1.994 5.859 443 HD2 PHE 60 2HD PHE 60 8.560 -1.628 3.624 444 HE1 PHE 60 1HE PHE 60 7.754 3.232 4.268 445 HE2 PHE 60 2HE PHE 60 7.273 -0.345 1.926 446 HZ PHE 60 HZ PHE 60 6.895 2.079 2.225 447 H GLU 61 H GLU 61 7.198 0.729 7.448 448 HA GLU 61 HA GLU 61 8.512 2.715 9.296 449 1HB GLU 61 2HB GLU 61 6.756 3.044 6.889 450 2HB GLU 61 3HB GLU 61 6.430 4.083 8.282 451 1HG GLU 61 2HG GLU 61 8.768 4.854 8.299 452 2HG GLU 61 3HG GLU 61 9.056 3.989 6.785 453 H HIS 62 H HIS 62 6.007 0.382 9.007 454 HA HIS 62 HA HIS 62 4.558 -0.414 10.560 455 1HB HIS 62 2HB HIS 62 4.989 1.897 12.458 456 2HB HIS 62 3HB HIS 62 4.455 0.259 12.796 457 HD1 HIS 62 1HD HIS 62 7.156 -1.052 11.227 458 HD2 HIS 62 2HD HIS 62 6.971 1.984 14.136 459 HE1 HIS 62 1HE HIS 62 9.414 -1.005 12.366 460 H LEU 63 H LEU 63 3.640 0.872 8.358 461 HA LEU 63 HA LEU 63 1.986 3.147 9.002 462 1HB LEU 63 2HB LEU 63 2.236 1.237 6.667 463 2HB LEU 63 3HB LEU 63 0.805 2.250 6.761 464 HG LEU 63 HG LEU 63 2.450 3.314 5.397 465 1HD1 LEU 63 1HD1 LEU 63 2.431 5.025 7.883 466 2HD1 LEU 63 2HD1 LEU 63 2.165 5.442 6.185 467 3HD1 LEU 63 3HD1 LEU 63 0.910 4.589 7.085 468 1HD2 LEU 63 1HD2 LEU 63 4.521 2.398 6.463 469 2HD2 LEU 63 2HD2 LEU 63 4.568 4.155 6.216 470 3HD2 LEU 63 3HD2 LEU 63 4.259 3.498 7.832 471 H LYS 64 H LYS 64 -0.439 3.269 8.843 472 HA LYS 64 HA LYS 64 -1.753 0.769 9.743 473 1HB LYS 64 2HB LYS 64 -3.164 2.190 11.210 474 2HB LYS 64 3HB LYS 64 -1.488 1.961 11.698 475 1HG LYS 64 2HG LYS 64 -1.800 4.097 12.278 476 2HG LYS 64 3HG LYS 64 -1.015 4.323 10.727 477 1HD LYS 64 2HD LYS 64 -2.874 5.123 9.737 478 2HD LYS 64 3HD LYS 64 -3.996 4.150 10.651 479 1HE LYS 64 2HE LYS 64 -3.563 5.543 12.712 480 2HE LYS 64 3HE LYS 64 -2.513 6.612 11.768 481 1HZ LYS 64 1HZ LYS 64 -4.794 7.394 12.198 482 2HZ LYS 64 2HZ LYS 64 -4.368 7.504 10.683 483 3HZ LYS 64 3HZ LYS 64 -5.382 6.269 11.150 484 H ILE 65 H ILE 65 -3.016 0.184 8.096 485 HA ILE 65 HA ILE 65 -4.249 2.314 6.448 486 HB ILE 65 HB ILE 65 -3.716 -0.406 5.334 487 1HG1 ILE 65 2HG1 ILE 65 -1.641 1.740 5.710 488 2HG1 ILE 65 3HG1 ILE 65 -1.542 -0.028 5.882 489 1HG2 ILE 65 1HG2 ILE 65 -3.833 2.296 3.982 490 2HG2 ILE 65 2HG2 ILE 65 -3.929 0.697 3.237 491 3HG2 ILE 65 3HG2 ILE 65 -5.241 1.283 4.268 492 1HD1 ILE 65 1HD1 ILE 65 -1.472 1.608 3.330 493 2HD1 ILE 65 2HD1 ILE 65 -0.245 0.529 3.990 494 3HD1 ILE 65 3HD1 ILE 65 -1.741 -0.132 3.309 495 H ILE 66 H ILE 66 -6.421 2.245 6.254 496 HA ILE 66 HA ILE 66 -7.845 0.160 7.799 497 HB ILE 66 HB ILE 66 -8.591 3.014 7.100 498 1HG1 ILE 66 2HG1 ILE 66 -6.783 3.020 8.719 499 2HG1 ILE 66 3HG1 ILE 66 -8.294 3.523 9.464 500 1HG2 ILE 66 1HG2 ILE 66 -10.615 1.716 7.290 501 2HG2 ILE 66 2HG2 ILE 66 -10.059 0.951 8.788 502 3HG2 ILE 66 3HG2 ILE 66 -10.435 2.686 8.754 503 1HD1 ILE 66 1HD1 ILE 66 -6.971 0.789 9.778 504 2HD1 ILE 66 2HD1 ILE 66 -7.060 2.084 10.977 505 3HD1 ILE 66 3HD1 ILE 66 -8.539 1.249 10.485 506 HA PRO 67 HA PRO 67 -9.710 -0.799 3.719 507 1HB PRO 67 2HB PRO 67 -11.426 -2.770 4.532 508 2HB PRO 67 3HB PRO 67 -9.677 -3.061 4.396 509 1HG PRO 67 2HG PRO 67 -11.239 -2.433 6.893 510 2HG PRO 67 3HG PRO 67 -9.989 -3.685 6.656 511 1HD PRO 67 2HD PRO 67 -9.489 -1.261 7.794 512 2HD PRO 67 3HD PRO 67 -8.251 -2.095 6.807 513 H GLU 68 H GLU 68 -10.794 1.219 3.411 514 HA GLU 68 HA GLU 68 -13.043 1.948 4.980 515 1HB GLU 68 2HB GLU 68 -13.626 3.478 3.172 516 2HB GLU 68 3HB GLU 68 -11.970 3.650 3.762 517 1HG GLU 68 2HG GLU 68 -11.107 2.503 1.751 518 2HG GLU 68 3HG GLU 68 -12.759 2.224 1.183 519 H LYS 69 H LYS 69 -15.324 1.771 4.499 520 HA LYS 69 HA LYS 69 -16.332 -0.165 2.639 521 1HB LYS 69 2HB LYS 69 -15.125 -1.286 4.860 522 2HB LYS 69 3HB LYS 69 -16.703 -0.926 5.533 523 1HG LYS 69 2HG LYS 69 -17.401 -2.875 4.709 524 2HG LYS 69 3HG LYS 69 -17.293 -2.207 3.082 525 1HD LYS 69 2HD LYS 69 -14.927 -3.507 4.477 526 2HD LYS 69 3HD LYS 69 -16.105 -4.428 3.552 527 1HE LYS 69 2HE LYS 69 -15.108 -2.046 2.079 528 2HE LYS 69 3HE LYS 69 -13.810 -3.153 2.517 529 1HZ LYS 69 1HZ LYS 69 -16.268 -3.891 1.065 530 2HZ LYS 69 2HZ LYS 69 -14.795 -3.632 0.378 531 3HZ LYS 69 3HZ LYS 69 -15.009 -4.900 1.403 532 H GLU 70 H GLU 70 -18.867 -0.505 3.551 533 HA GLU 70 HA GLU 70 -19.938 1.977 4.661 534 1HB GLU 70 2HB GLU 70 -19.677 1.549 1.685 535 2HB GLU 70 3HB GLU 70 -21.253 2.089 2.259 536 1HG GLU 70 2HG GLU 70 -18.670 3.557 2.915 537 2HG GLU 70 3HG GLU 70 -19.736 3.939 1.557 538 H ALA 71 H ALA 71 -20.866 -0.375 2.219 539 HA ALA 71 HA ALA 71 -22.683 -1.873 4.016 540 1HB ALA 71 1HB ALA 71 -23.163 -1.854 1.544 541 2HB ALA 71 2HB ALA 71 -21.541 -2.534 1.260 542 3HB ALA 71 3HB ALA 71 -22.752 -3.472 2.158 Start of MODEL 8 1 1H MET 1 H1 MET 1 -17.335 -9.577 -9.074 2 2H MET 1 H2 MET 1 -18.169 -10.707 -9.954 3 3H MET 1 H3 MET 1 -16.635 -11.031 -9.387 4 HA MET 1 HA MET 1 -16.477 -10.636 -11.656 5 1HB MET 1 2HB MET 1 -17.886 -7.983 -11.094 6 2HB MET 1 3HB MET 1 -17.074 -8.430 -12.606 7 1HG MET 1 2HG MET 1 -19.393 -8.845 -12.919 8 2HG MET 1 3HG MET 1 -18.607 -10.418 -12.768 9 1HE MET 1 1HE MET 1 -22.036 -11.252 -11.191 10 2HE MET 1 2HE MET 1 -21.658 -10.320 -12.657 11 3HE MET 1 3HE MET 1 -20.740 -11.799 -12.282 12 H ALA 2 H ALA 2 -16.084 -7.311 -10.495 13 HA ALA 2 HA ALA 2 -13.361 -7.348 -11.125 14 1HB ALA 2 1HB ALA 2 -13.334 -5.090 -10.179 15 2HB ALA 2 2HB ALA 2 -14.812 -5.342 -11.126 16 3HB ALA 2 3HB ALA 2 -14.877 -5.392 -9.347 17 H GLU 3 H GLU 3 -11.564 -6.834 -9.820 18 HA GLU 3 HA GLU 3 -11.387 -8.164 -7.167 19 1HB GLU 3 2HB GLU 3 -9.447 -9.351 -8.098 20 2HB GLU 3 3HB GLU 3 -10.933 -9.752 -8.958 21 1HG GLU 3 2HG GLU 3 -8.767 -7.856 -9.983 22 2HG GLU 3 3HG GLU 3 -8.993 -9.535 -10.447 23 H LYS 4 H LYS 4 -11.570 -5.506 -7.244 24 HA LYS 4 HA LYS 4 -8.813 -4.541 -6.714 25 1HB LYS 4 2HB LYS 4 -9.471 -2.308 -7.515 26 2HB LYS 4 3HB LYS 4 -9.446 -3.521 -8.803 27 1HG LYS 4 2HG LYS 4 -11.862 -3.698 -8.789 28 2HG LYS 4 3HG LYS 4 -11.976 -2.563 -7.418 29 1HD LYS 4 2HD LYS 4 -10.961 -0.769 -8.797 30 2HD LYS 4 3HD LYS 4 -10.656 -1.916 -10.100 31 1HE LYS 4 2HE LYS 4 -12.573 -0.545 -10.673 32 2HE LYS 4 3HE LYS 4 -13.057 -2.235 -10.489 33 1HZ LYS 4 1HZ LYS 4 -13.901 -1.687 -8.306 34 2HZ LYS 4 2HZ LYS 4 -13.427 -0.116 -8.468 35 3HZ LYS 4 3HZ LYS 4 -14.599 -0.729 -9.445 36 H THR 5 H THR 5 -8.589 -3.117 -4.960 37 HA THR 5 HA THR 5 -10.990 -2.330 -3.458 38 HB THR 5 HB THR 5 -8.790 -4.070 -2.202 39 HG1 THR 5 1HG THR 5 -11.189 -4.396 -3.349 40 1HG2 THR 5 1HG2 THR 5 -9.656 -2.411 -0.534 41 2HG2 THR 5 2HG2 THR 5 -11.322 -2.838 -0.983 42 3HG2 THR 5 3HG2 THR 5 -10.280 -4.031 -0.194 43 H VAL 6 H VAL 6 -10.561 -0.518 -2.145 44 HA VAL 6 HA VAL 6 -7.797 0.172 -1.998 45 HB VAL 6 HB VAL 6 -8.526 1.519 -3.770 46 1HG1 VAL 6 1HG1 VAL 6 -10.884 1.322 -3.706 47 2HG1 VAL 6 2HG1 VAL 6 -10.984 2.382 -2.270 48 3HG1 VAL 6 3HG1 VAL 6 -10.407 3.012 -3.841 49 1HG2 VAL 6 1HG2 VAL 6 -7.241 2.831 -2.039 50 2HG2 VAL 6 2HG2 VAL 6 -8.323 3.858 -2.998 51 3HG2 VAL 6 3HG2 VAL 6 -8.780 3.382 -1.356 52 H TYR 7 H TYR 7 -7.063 1.193 -0.247 53 HA TYR 7 HA TYR 7 -8.860 1.092 2.138 54 1HB TYR 7 2HB TYR 7 -5.911 0.386 1.984 55 2HB TYR 7 3HB TYR 7 -7.026 0.131 3.321 56 HD1 TYR 7 HD1 TYR 7 -6.315 -0.971 -0.217 57 HD2 TYR 7 HD2 TYR 7 -7.739 -2.060 3.689 58 HE1 TYR 7 HE1 TYR 7 -6.592 -3.292 -0.971 59 HE2 TYR 7 HE2 TYR 7 -8.048 -4.391 2.920 60 HH TYR 7 HH TYR 7 -7.350 -5.432 -0.387 61 H ARG 8 H ARG 8 -8.247 2.699 3.779 62 HA ARG 8 HA ARG 8 -6.892 5.096 2.594 63 1HB ARG 8 2HB ARG 8 -8.528 4.612 5.130 64 2HB ARG 8 3HB ARG 8 -7.374 5.930 5.042 65 1HG ARG 8 2HG ARG 8 -9.296 6.962 4.524 66 2HG ARG 8 3HG ARG 8 -8.500 6.785 2.961 67 1HD ARG 8 2HD ARG 8 -10.558 4.784 3.991 68 2HD ARG 8 3HD ARG 8 -11.107 6.295 3.310 69 HE ARG 8 HE ARG 8 -10.118 4.000 1.846 70 1HH1 ARG 8 2HH2 ARG 8 -10.037 7.473 1.643 71 2HH1 ARG 8 1HH2 ARG 8 -10.650 7.586 0.016 72 1HH2 ARG 8 2HH1 ARG 8 -11.491 4.200 -0.167 73 2HH2 ARG 8 1HH1 ARG 8 -11.138 5.561 -1.138 74 H VAL 9 H VAL 9 -4.993 5.983 3.620 75 HA VAL 9 HA VAL 9 -3.806 4.485 5.835 76 HB VAL 9 HB VAL 9 -2.678 3.328 4.084 77 1HG1 VAL 9 1HG1 VAL 9 -2.052 6.015 2.783 78 2HG1 VAL 9 2HG1 VAL 9 -1.407 4.440 2.277 79 3HG1 VAL 9 3HG1 VAL 9 -3.135 4.760 2.146 80 1HG2 VAL 9 1HG2 VAL 9 -0.750 5.514 4.887 81 2HG2 VAL 9 2HG2 VAL 9 -1.332 4.247 6.008 82 3HG2 VAL 9 3HG2 VAL 9 -0.437 3.804 4.568 83 H ASP 10 H ASP 10 -2.419 5.730 7.091 84 HA ASP 10 HA ASP 10 -1.955 8.546 6.382 85 1HB ASP 10 2HB ASP 10 -3.826 7.547 8.524 86 2HB ASP 10 3HB ASP 10 -2.643 8.736 9.059 87 H GLY 11 H GLY 11 -0.423 9.460 7.976 88 1HA GLY 11 1HA GLY 11 0.999 9.026 9.909 89 2HA GLY 11 2HA GLY 11 1.367 7.419 9.280 90 H LEU 12 H LEU 12 2.384 7.417 7.000 91 HA LEU 12 HA LEU 12 4.764 9.031 7.217 92 1HB LEU 12 2HB LEU 12 5.665 7.824 5.472 93 2HB LEU 12 3HB LEU 12 4.664 6.689 6.344 94 HG LEU 12 HG LEU 12 2.864 7.125 4.482 95 1HD1 LEU 12 1HD1 LEU 12 5.343 8.501 3.353 96 2HD1 LEU 12 2HD1 LEU 12 4.257 7.668 2.247 97 3HD1 LEU 12 3HD1 LEU 12 3.644 8.999 3.203 98 1HD2 LEU 12 1HD2 LEU 12 3.866 5.049 4.549 99 2HD2 LEU 12 2HD2 LEU 12 4.259 5.567 2.919 100 3HD2 LEU 12 3HD2 LEU 12 5.485 5.661 4.212 101 H SER 13 H SER 13 5.575 10.514 5.546 102 HA SER 13 HA SER 13 3.542 11.842 3.832 103 1HB SER 13 2HB SER 13 4.346 14.052 4.936 104 2HB SER 13 3HB SER 13 3.120 13.066 5.749 105 HG SER 13 HG SER 13 4.667 12.255 7.121 106 H CYS 14 H CYS 14 5.235 10.431 2.500 107 HA CYS 14 HA CYS 14 7.026 12.408 1.341 108 1HB CYS 14 2HB CYS 14 8.329 11.411 3.336 109 2HB CYS 14 3HB CYS 14 8.331 9.882 2.431 110 HG CYS 14 HG CYS 14 9.365 12.883 1.572 111 H THR 15 H THR 15 6.884 12.147 -0.847 112 HA THR 15 HA THR 15 5.644 10.161 -2.192 113 HB THR 15 HB THR 15 8.071 11.649 -3.273 114 HG1 THR 15 1HG THR 15 6.539 13.390 -3.507 115 1HG2 THR 15 1HG2 THR 15 5.341 10.966 -4.473 116 2HG2 THR 15 2HG2 THR 15 6.654 11.838 -5.294 117 3HG2 THR 15 3HG2 THR 15 6.868 10.138 -4.844 118 H ASN 16 H ASN 16 9.187 10.283 -1.482 119 HA ASN 16 HA ASN 16 9.924 8.023 -2.888 120 1HB ASN 16 2HB ASN 16 11.073 9.182 -0.322 121 2HB ASN 16 3HB ASN 16 11.809 7.841 -1.213 122 1HD2 ASN 16 1HD2 ASN 16 13.728 8.965 -1.799 123 2HD2 ASN 16 2HD2 ASN 16 13.677 10.281 -2.959 124 H CYS 17 H CYS 17 8.325 8.221 0.284 125 HA CYS 17 HA CYS 17 8.795 5.402 0.952 126 1HB CYS 17 2HB CYS 17 7.082 7.597 2.138 127 2HB CYS 17 3HB CYS 17 6.890 5.893 2.572 128 HG CYS 17 HG CYS 17 9.744 7.510 2.539 129 H ALA 18 H ALA 18 6.188 7.387 -0.526 130 HA ALA 18 HA ALA 18 4.315 5.264 -0.882 131 1HB ALA 18 1HB ALA 18 4.784 7.586 -2.802 132 2HB ALA 18 2HB ALA 18 3.322 6.622 -2.610 133 3HB ALA 18 3HB ALA 18 3.844 7.702 -1.303 134 H ALA 19 H ALA 19 7.009 6.389 -2.928 135 HA ALA 19 HA ALA 19 6.732 4.569 -5.067 136 1HB ALA 19 1HB ALA 19 9.307 5.777 -4.009 137 2HB ALA 19 2HB ALA 19 9.038 5.063 -5.608 138 3HB ALA 19 3HB ALA 19 8.171 6.539 -5.142 139 H LYS 20 H LYS 20 8.810 4.324 -2.160 140 HA LYS 20 HA LYS 20 9.854 1.732 -2.481 141 1HB LYS 20 2HB LYS 20 10.410 3.489 -0.708 142 2HB LYS 20 3HB LYS 20 8.901 3.084 0.092 143 1HG LYS 20 2HG LYS 20 10.529 2.004 1.290 144 2HG LYS 20 3HG LYS 20 9.753 0.710 0.381 145 1HD LYS 20 2HD LYS 20 11.559 0.537 -1.173 146 2HD LYS 20 3HD LYS 20 12.253 2.092 -0.710 147 1HE LYS 20 2HE LYS 20 12.148 -0.389 1.078 148 2HE LYS 20 3HE LYS 20 13.551 0.136 0.137 149 1HZ LYS 20 1HZ LYS 20 12.308 1.645 2.342 150 2HZ LYS 20 2HZ LYS 20 13.753 0.871 2.374 151 3HZ LYS 20 3HZ LYS 20 13.553 2.190 1.415 152 H PHE 21 H PHE 21 6.827 2.726 -0.813 153 HA PHE 21 HA PHE 21 5.852 0.184 -0.196 154 1HB PHE 21 2HB PHE 21 4.691 2.909 -0.471 155 2HB PHE 21 3HB PHE 21 3.567 1.628 -0.795 156 HD1 PHE 21 1HD PHE 21 3.395 -0.354 0.854 157 HD2 PHE 21 2HD PHE 21 5.095 3.496 1.806 158 HE1 PHE 21 1HE PHE 21 2.758 -0.649 3.230 159 HE2 PHE 21 2HE PHE 21 4.766 3.021 4.214 160 HZ PHE 21 HZ PHE 21 3.365 1.094 4.901 161 H GLU 22 H GLU 22 4.945 2.086 -3.207 162 HA GLU 22 HA GLU 22 3.327 -0.024 -4.113 163 1HB GLU 22 2HB GLU 22 3.500 0.885 -6.385 164 2HB GLU 22 3HB GLU 22 3.025 2.060 -5.170 165 1HG GLU 22 2HG GLU 22 5.247 3.024 -5.171 166 2HG GLU 22 3HG GLU 22 5.806 1.831 -6.362 167 H ARG 23 H ARG 23 6.813 0.576 -4.734 168 HA ARG 23 HA ARG 23 7.331 -1.684 -6.424 169 1HB ARG 23 2HB ARG 23 8.905 -0.004 -4.465 170 2HB ARG 23 3HB ARG 23 9.544 -1.611 -4.738 171 1HG ARG 23 2HG ARG 23 9.515 -1.178 -7.213 172 2HG ARG 23 3HG ARG 23 9.023 0.501 -6.861 173 1HD ARG 23 2HD ARG 23 11.061 0.748 -5.432 174 2HD ARG 23 3HD ARG 23 11.533 -0.923 -5.848 175 HE ARG 23 HE ARG 23 11.147 0.502 -8.260 176 1HH1 ARG 23 2HH2 ARG 23 13.347 0.392 -5.523 177 2HH1 ARG 23 1HH2 ARG 23 14.712 1.078 -6.353 178 1HH2 ARG 23 2HH1 ARG 23 12.940 1.412 -9.433 179 2HH2 ARG 23 1HH1 ARG 23 14.465 1.659 -8.649 180 H ASN 24 H ASN 24 7.445 -1.538 -2.816 181 HA ASN 24 HA ASN 24 7.996 -4.249 -2.408 182 1HB ASN 24 2HB ASN 24 7.390 -2.042 -0.777 183 2HB ASN 24 3HB ASN 24 6.057 -3.140 -0.441 184 1HD2 ASN 24 1HD2 ASN 24 8.219 -2.257 1.339 185 2HD2 ASN 24 2HD2 ASN 24 9.063 -3.724 1.818 186 H VAL 25 H VAL 25 4.858 -2.640 -2.870 187 HA VAL 25 HA VAL 25 3.244 -5.003 -2.671 188 HB VAL 25 HB VAL 25 2.742 -2.336 -4.077 189 1HG1 VAL 25 1HG1 VAL 25 0.327 -2.941 -3.837 190 2HG1 VAL 25 2HG1 VAL 25 1.203 -3.877 -5.049 191 3HG1 VAL 25 3HG1 VAL 25 0.812 -4.600 -3.465 192 1HG2 VAL 25 1HG2 VAL 25 3.037 -1.996 -1.699 193 2HG2 VAL 25 2HG2 VAL 25 1.303 -1.991 -1.999 194 3HG2 VAL 25 3HG2 VAL 25 2.110 -3.435 -1.331 195 H LYS 26 H LYS 26 4.703 -3.411 -5.550 196 HA LYS 26 HA LYS 26 3.675 -5.195 -7.478 197 1HB LYS 26 2HB LYS 26 5.979 -3.263 -7.235 198 2HB LYS 26 3HB LYS 26 5.804 -4.176 -8.704 199 1HG LYS 26 2HG LYS 26 3.674 -3.261 -9.167 200 2HG LYS 26 3HG LYS 26 3.446 -2.652 -7.516 201 1HD LYS 26 2HD LYS 26 5.229 -1.028 -7.772 202 2HD LYS 26 3HD LYS 26 5.642 -1.650 -9.351 203 1HE LYS 26 2HE LYS 26 2.941 -0.382 -8.572 204 2HE LYS 26 3HE LYS 26 4.284 0.521 -9.279 205 1HZ LYS 26 1HZ LYS 26 2.903 -1.696 -10.633 206 2HZ LYS 26 2HZ LYS 26 2.667 -0.092 -10.907 207 3HZ LYS 26 3HZ LYS 26 4.122 -0.771 -11.247 208 H GLU 27 H GLU 27 6.460 -5.560 -5.265 209 HA GLU 27 HA GLU 27 7.460 -7.931 -6.562 210 1HB GLU 27 2HB GLU 27 7.734 -6.956 -3.695 211 2HB GLU 27 3HB GLU 27 8.567 -8.360 -4.367 212 1HG GLU 27 2HG GLU 27 9.674 -6.982 -6.057 213 2HG GLU 27 3HG GLU 27 8.816 -5.538 -5.501 214 H ILE 28 H ILE 28 4.561 -7.474 -4.621 215 HA ILE 28 HA ILE 28 4.351 -10.251 -3.768 216 HB ILE 28 HB ILE 28 2.175 -8.198 -4.169 217 1HG1 ILE 28 2HG1 ILE 28 3.357 -8.813 -1.453 218 2HG1 ILE 28 3HG1 ILE 28 4.001 -7.512 -2.461 219 1HG2 ILE 28 1HG2 ILE 28 0.963 -9.628 -2.418 220 2HG2 ILE 28 2HG2 ILE 28 1.179 -10.351 -3.996 221 3HG2 ILE 28 3HG2 ILE 28 2.241 -10.825 -2.648 222 1HD1 ILE 28 1HD1 ILE 28 1.729 -6.516 -2.657 223 2HD1 ILE 28 2HD1 ILE 28 1.094 -7.695 -1.551 224 3HD1 ILE 28 3HD1 ILE 28 2.330 -6.562 -0.982 225 H GLU 29 H GLU 29 3.597 -11.948 -5.040 226 HA GLU 29 HA GLU 29 3.172 -11.548 -7.848 227 1HB GLU 29 2HB GLU 29 3.242 -13.892 -5.899 228 2HB GLU 29 3HB GLU 29 2.556 -14.105 -7.491 229 1HG GLU 29 2HG GLU 29 4.641 -13.357 -8.561 230 2HG GLU 29 3HG GLU 29 5.372 -13.073 -6.971 231 H GLY 30 H GLY 30 1.139 -11.996 -5.149 232 1HA GLY 30 1HA GLY 30 -1.289 -12.781 -6.377 233 2HA GLY 30 2HA GLY 30 -1.164 -11.896 -4.852 234 H VAL 31 H VAL 31 0.166 -9.472 -6.111 235 HA VAL 31 HA VAL 31 -2.382 -8.275 -6.931 236 HB VAL 31 HB VAL 31 -0.892 -7.403 -5.082 237 1HG1 VAL 31 1HG1 VAL 31 1.268 -7.611 -6.290 238 2HG1 VAL 31 2HG1 VAL 31 0.772 -6.310 -7.392 239 3HG1 VAL 31 3HG1 VAL 31 0.952 -5.997 -5.655 240 1HG2 VAL 31 1HG2 VAL 31 -2.705 -6.142 -6.194 241 2HG2 VAL 31 2HG2 VAL 31 -1.397 -5.130 -5.542 242 3HG2 VAL 31 3HG2 VAL 31 -1.494 -5.426 -7.289 243 H THR 32 H THR 32 -2.404 -6.797 -8.765 244 HA THR 32 HA THR 32 -0.501 -7.491 -10.960 245 HB THR 32 HB THR 32 -3.455 -6.807 -11.246 246 HG1 THR 32 1HG THR 32 -2.035 -9.235 -11.078 247 1HG2 THR 32 1HG2 THR 32 -1.369 -7.818 -13.234 248 2HG2 THR 32 2HG2 THR 32 -3.102 -7.612 -13.559 249 3HG2 THR 32 3HG2 THR 32 -2.095 -6.196 -13.213 250 H GLU 33 H GLU 33 -2.906 -5.028 -9.822 251 HA GLU 33 HA GLU 33 -0.713 -2.999 -10.339 252 1HB GLU 33 2HB GLU 33 -3.609 -2.626 -11.205 253 2HB GLU 33 3HB GLU 33 -2.379 -1.363 -11.086 254 1HG GLU 33 2HG GLU 33 -0.961 -3.020 -12.629 255 2HG GLU 33 3HG GLU 33 -2.570 -3.610 -13.077 256 H ALA 34 H ALA 34 -0.499 -1.347 -8.866 257 HA ALA 34 HA ALA 34 -2.650 -1.072 -6.881 258 1HB ALA 34 1HB ALA 34 -1.005 -2.560 -5.813 259 2HB ALA 34 2HB ALA 34 0.303 -1.411 -6.174 260 3HB ALA 34 3HB ALA 34 -0.980 -0.967 -5.030 261 H ILE 35 H ILE 35 -3.070 1.068 -6.418 262 HA ILE 35 HA ILE 35 -1.270 3.060 -7.803 263 HB ILE 35 HB ILE 35 -4.287 3.318 -7.537 264 1HG1 ILE 35 2HG1 ILE 35 -4.048 3.128 -10.105 265 2HG1 ILE 35 3HG1 ILE 35 -2.540 2.267 -9.792 266 1HG2 ILE 35 1HG2 ILE 35 -2.188 4.856 -9.121 267 2HG2 ILE 35 2HG2 ILE 35 -3.930 5.187 -9.081 268 3HG2 ILE 35 3HG2 ILE 35 -2.955 5.436 -7.633 269 1HD1 ILE 35 1HD1 ILE 35 -3.837 0.466 -8.674 270 2HD1 ILE 35 2HD1 ILE 35 -5.306 1.467 -8.753 271 3HD1 ILE 35 3HD1 ILE 35 -4.561 0.841 -10.234 272 H VAL 36 H VAL 36 -0.057 3.176 -5.854 273 HA VAL 36 HA VAL 36 -1.531 3.675 -3.426 274 HB VAL 36 HB VAL 36 0.326 3.247 -2.261 275 1HG1 VAL 36 1HG1 VAL 36 0.839 1.593 -4.765 276 2HG1 VAL 36 2HG1 VAL 36 1.116 1.139 -3.073 277 3HG1 VAL 36 3HG1 VAL 36 -0.537 1.336 -3.691 278 1HG2 VAL 36 1HG2 VAL 36 1.934 4.803 -3.106 279 2HG2 VAL 36 2HG2 VAL 36 2.653 3.194 -3.170 280 3HG2 VAL 36 3HG2 VAL 36 2.035 3.966 -4.659 281 H ASN 37 H ASN 37 -1.677 5.492 -2.214 282 HA ASN 37 HA ASN 37 -0.328 7.992 -3.089 283 1HB ASN 37 2HB ASN 37 -3.317 7.637 -2.544 284 2HB ASN 37 3HB ASN 37 -2.470 9.176 -2.656 285 1HD2 ASN 37 1HD2 ASN 37 -2.643 6.177 -4.758 286 2HD2 ASN 37 2HD2 ASN 37 -2.841 7.147 -6.208 287 H PHE 38 H PHE 38 0.820 6.610 -1.247 288 HA PHE 38 HA PHE 38 -0.198 6.979 1.454 289 1HB PHE 38 2HB PHE 38 2.616 6.512 0.374 290 2HB PHE 38 3HB PHE 38 2.215 6.704 2.068 291 HD1 PHE 38 1HD PHE 38 1.738 4.453 -0.846 292 HD2 PHE 38 2HD PHE 38 1.499 4.920 3.419 293 HE1 PHE 38 1HE PHE 38 1.192 2.033 -0.599 294 HE2 PHE 38 2HE PHE 38 1.068 2.495 3.645 295 HZ PHE 38 HZ PHE 38 0.759 1.086 1.643 296 H GLY 39 H GLY 39 0.066 8.775 2.754 297 1HA GLY 39 1HA GLY 39 1.891 10.665 2.920 298 2HA GLY 39 2HA GLY 39 1.034 11.268 1.493 299 H ALA 40 H ALA 40 -1.487 10.789 1.856 300 HA ALA 40 HA ALA 40 -2.710 11.108 4.398 301 1HB ALA 40 1HB ALA 40 -2.397 13.683 2.771 302 2HB ALA 40 2HB ALA 40 -3.521 13.467 4.130 303 3HB ALA 40 3HB ALA 40 -1.781 13.402 4.412 304 H SER 41 H SER 41 -3.254 9.292 2.565 305 HA SER 41 HA SER 41 -5.807 9.963 1.399 306 1HB SER 41 2HB SER 41 -3.384 9.934 -0.389 307 2HB SER 41 3HB SER 41 -4.952 9.370 -0.993 308 HG SER 41 HG SER 41 -4.756 11.831 0.338 309 H LYS 42 H LYS 42 -3.859 7.589 -0.249 310 HA LYS 42 HA LYS 42 -5.191 5.409 1.131 311 1HB LYS 42 2HB LYS 42 -6.832 4.884 -0.633 312 2HB LYS 42 3HB LYS 42 -7.141 6.460 0.058 313 1HG LYS 42 2HG LYS 42 -7.521 6.577 -2.265 314 2HG LYS 42 3HG LYS 42 -6.083 7.540 -1.940 315 1HD LYS 42 2HD LYS 42 -4.646 5.817 -2.899 316 2HD LYS 42 3HD LYS 42 -5.981 4.657 -2.940 317 1HE LYS 42 2HE LYS 42 -7.128 6.178 -4.615 318 2HE LYS 42 3HE LYS 42 -5.691 7.215 -4.586 319 1HZ LYS 42 1HZ LYS 42 -4.432 5.189 -5.346 320 2HZ LYS 42 2HZ LYS 42 -5.857 4.410 -5.483 321 3HZ LYS 42 3HZ LYS 42 -5.562 5.732 -6.417 322 H ILE 43 H ILE 43 -5.239 3.411 -0.075 323 HA ILE 43 HA ILE 43 -3.042 3.177 -2.052 324 HB ILE 43 HB ILE 43 -2.030 2.860 0.071 325 1HG1 ILE 43 2HG1 ILE 43 -1.049 1.476 -1.596 326 2HG1 ILE 43 3HG1 ILE 43 -1.030 0.682 -0.042 327 1HG2 ILE 43 1HG2 ILE 43 -4.069 0.729 0.712 328 2HG2 ILE 43 2HG2 ILE 43 -2.609 1.125 1.636 329 3HG2 ILE 43 3HG2 ILE 43 -3.896 2.315 1.491 330 1HD1 ILE 43 1HD1 ILE 43 -2.764 0.000 -2.415 331 2HD1 ILE 43 2HD1 ILE 43 -1.530 -0.977 -1.623 332 3HD1 ILE 43 3HD1 ILE 43 -3.067 -0.667 -0.795 333 H THR 44 H THR 44 -3.973 2.386 -3.834 334 HA THR 44 HA THR 44 -6.355 0.626 -3.612 335 HB THR 44 HB THR 44 -5.075 1.855 -6.073 336 HG1 THR 44 1HG THR 44 -6.929 2.724 -4.249 337 1HG2 THR 44 1HG2 THR 44 -6.462 -0.044 -6.663 338 2HG2 THR 44 2HG2 THR 44 -7.787 0.543 -5.648 339 3HG2 THR 44 3HG2 THR 44 -7.301 1.453 -7.091 340 H VAL 45 H VAL 45 -6.208 -1.493 -4.143 341 HA VAL 45 HA VAL 45 -3.724 -2.565 -5.350 342 HB VAL 45 HB VAL 45 -5.171 -3.266 -2.818 343 1HG1 VAL 45 1HG1 VAL 45 -5.762 -5.291 -4.011 344 2HG1 VAL 45 2HG1 VAL 45 -4.091 -5.480 -4.589 345 3HG1 VAL 45 3HG1 VAL 45 -4.462 -5.630 -2.865 346 1HG2 VAL 45 1HG2 VAL 45 -2.858 -2.326 -2.965 347 2HG2 VAL 45 2HG2 VAL 45 -2.960 -3.856 -2.067 348 3HG2 VAL 45 3HG2 VAL 45 -2.326 -3.832 -3.728 349 H THR 46 H THR 46 -4.135 -3.985 -7.027 350 HA THR 46 HA THR 46 -6.818 -5.080 -7.423 351 HB THR 46 HB THR 46 -5.292 -3.404 -9.502 352 HG1 THR 46 1HG THR 46 -7.127 -3.058 -7.624 353 1HG2 THR 46 1HG2 THR 46 -7.384 -3.784 -10.872 354 2HG2 THR 46 2HG2 THR 46 -6.426 -5.256 -10.655 355 3HG2 THR 46 3HG2 THR 46 -7.896 -5.012 -9.695 356 H GLY 47 H GLY 47 -6.696 -7.047 -8.191 357 1HA GLY 47 1HA GLY 47 -5.148 -8.110 -10.065 358 2HA GLY 47 2HA GLY 47 -4.001 -8.157 -8.748 359 H GLU 48 H GLU 48 -4.197 -9.523 -7.059 360 HA GLU 48 HA GLU 48 -6.672 -10.695 -6.145 361 1HB GLU 48 2HB GLU 48 -5.874 -12.149 -8.154 362 2HB GLU 48 3HB GLU 48 -4.548 -12.659 -7.108 363 1HG GLU 48 2HG GLU 48 -6.268 -13.465 -5.446 364 2HG GLU 48 3HG GLU 48 -7.544 -12.950 -6.567 365 H ALA 49 H ALA 49 -5.259 -8.948 -4.718 366 HA ALA 49 HA ALA 49 -4.196 -10.629 -2.549 367 1HB ALA 49 1HB ALA 49 -2.168 -9.938 -3.788 368 2HB ALA 49 2HB ALA 49 -2.669 -8.234 -3.659 369 3HB ALA 49 3HB ALA 49 -2.242 -9.156 -2.198 370 H SER 50 H SER 50 -3.847 -9.200 -0.552 371 HA SER 50 HA SER 50 -5.924 -7.092 -0.339 372 1HB SER 50 2HB SER 50 -5.412 -9.441 1.554 373 2HB SER 50 3HB SER 50 -6.464 -8.067 1.906 374 HG SER 50 HG SER 50 -7.555 -8.710 -0.162 375 H ILE 51 H ILE 51 -5.564 -5.616 1.561 376 HA ILE 51 HA ILE 51 -3.055 -4.671 1.433 377 HB ILE 51 HB ILE 51 -5.153 -3.477 2.401 378 1HG1 ILE 51 2HG1 ILE 51 -3.781 -2.023 3.776 379 2HG1 ILE 51 3HG1 ILE 51 -2.399 -3.047 3.411 380 1HG2 ILE 51 1HG2 ILE 51 -3.966 -4.356 5.052 381 2HG2 ILE 51 2HG2 ILE 51 -5.419 -3.393 4.768 382 3HG2 ILE 51 3HG2 ILE 51 -5.430 -5.116 4.359 383 1HD1 ILE 51 1HD1 ILE 51 -4.145 -1.492 1.447 384 2HD1 ILE 51 2HD1 ILE 51 -2.434 -1.195 1.811 385 3HD1 ILE 51 3HD1 ILE 51 -2.904 -2.624 0.902 386 H GLN 52 H GLN 52 -4.089 -7.108 3.755 387 HA GLN 52 HA GLN 52 -2.252 -7.149 5.741 388 1HB GLN 52 2HB GLN 52 -2.952 -9.468 3.902 389 2HB GLN 52 3HB GLN 52 -2.215 -9.651 5.496 390 1HG GLN 52 2HG GLN 52 -4.178 -9.427 6.574 391 2HG GLN 52 3HG GLN 52 -4.627 -7.984 5.675 392 1HE2 GLN 52 1HE2 GLN 52 -6.713 -8.376 4.911 393 2HE2 GLN 52 2HE2 GLN 52 -7.147 -9.831 4.029 394 H GLN 53 H GLN 53 -1.529 -8.154 2.392 395 HA GLN 53 HA GLN 53 1.228 -8.902 2.821 396 1HB GLN 53 2HB GLN 53 -0.228 -7.915 0.348 397 2HB GLN 53 3HB GLN 53 1.362 -8.696 0.374 398 1HG GLN 53 2HG GLN 53 -0.775 -10.291 1.719 399 2HG GLN 53 3HG GLN 53 -1.095 -9.935 0.020 400 1HE2 GLN 53 1HE2 GLN 53 -0.844 -12.129 -0.633 401 2HE2 GLN 53 2HE2 GLN 53 0.743 -12.874 -0.651 402 H VAL 54 H VAL 54 -0.360 -5.900 1.761 403 HA VAL 54 HA VAL 54 2.023 -4.423 1.136 404 HB VAL 54 HB VAL 54 -0.788 -3.430 1.781 405 1HG1 VAL 54 1HG1 VAL 54 -0.080 -1.510 0.288 406 2HG1 VAL 54 2HG1 VAL 54 0.661 -1.581 1.887 407 3HG1 VAL 54 3HG1 VAL 54 1.588 -2.096 0.476 408 1HG2 VAL 54 1HG2 VAL 54 -1.149 -4.929 0.015 409 2HG2 VAL 54 2HG2 VAL 54 -0.979 -3.363 -0.782 410 3HG2 VAL 54 3HG2 VAL 54 0.360 -4.529 -0.794 411 H GLU 55 H GLU 55 -0.086 -4.809 3.973 412 HA GLU 55 HA GLU 55 0.923 -2.708 5.562 413 1HB GLU 55 2HB GLU 55 -1.304 -3.896 5.719 414 2HB GLU 55 3HB GLU 55 -0.464 -5.273 6.458 415 1HG GLU 55 2HG GLU 55 0.314 -3.810 8.280 416 2HG GLU 55 3HG GLU 55 -0.414 -2.404 7.476 417 H GLN 56 H GLN 56 1.519 -6.271 5.389 418 HA GLN 56 HA GLN 56 3.585 -6.473 7.259 419 1HB GLN 56 2HB GLN 56 2.488 -8.375 6.135 420 2HB GLN 56 3HB GLN 56 3.310 -7.977 4.618 421 1HG GLN 56 2HG GLN 56 5.501 -8.334 5.671 422 2HG GLN 56 3HG GLN 56 4.721 -8.662 7.226 423 1HE2 GLN 56 1HE2 GLN 56 3.071 -10.542 7.189 424 2HE2 GLN 56 2HE2 GLN 56 3.521 -11.922 6.198 425 H ALA 57 H ALA 57 3.907 -5.738 3.701 426 HA ALA 57 HA ALA 57 6.660 -5.064 3.707 427 1HB ALA 57 1HB ALA 57 5.944 -3.412 1.898 428 2HB ALA 57 2HB ALA 57 5.614 -5.141 1.622 429 3HB ALA 57 3HB ALA 57 4.313 -4.042 2.094 430 H GLY 58 H GLY 58 3.831 -2.941 4.483 431 1HA GLY 58 1HA GLY 58 5.224 -0.576 4.928 432 2HA GLY 58 2HA GLY 58 3.615 -1.039 5.568 433 H ALA 59 H ALA 59 5.146 -3.423 6.953 434 HA ALA 59 HA ALA 59 5.624 -2.384 9.483 435 1HB ALA 59 1HB ALA 59 6.979 -4.352 9.902 436 2HB ALA 59 2HB ALA 59 5.568 -4.800 8.924 437 3HB ALA 59 3HB ALA 59 7.176 -4.641 8.164 438 H PHE 60 H PHE 60 7.694 -2.037 6.588 439 HA PHE 60 HA PHE 60 10.072 -1.332 7.889 440 1HB PHE 60 2HB PHE 60 10.785 -0.201 5.979 441 2HB PHE 60 3HB PHE 60 9.906 -1.635 5.481 442 HD1 PHE 60 1HD PHE 60 8.343 -1.415 3.709 443 HD2 PHE 60 2HD PHE 60 9.654 2.108 5.811 444 HE1 PHE 60 1HE PHE 60 7.111 0.011 2.096 445 HE2 PHE 60 2HE PHE 60 8.469 3.528 4.177 446 HZ PHE 60 HZ PHE 60 7.262 2.469 2.245 447 H GLU 61 H GLU 61 7.131 0.612 7.651 448 HA GLU 61 HA GLU 61 8.401 2.586 9.513 449 1HB GLU 61 2HB GLU 61 8.485 3.427 7.254 450 2HB GLU 61 3HB GLU 61 6.743 3.250 7.055 451 1HG GLU 61 2HG GLU 61 6.389 5.001 8.775 452 2HG GLU 61 3HG GLU 61 8.134 5.062 9.086 453 H HIS 62 H HIS 62 5.790 0.459 9.069 454 HA HIS 62 HA HIS 62 4.194 -0.140 10.503 455 1HB HIS 62 2HB HIS 62 4.804 2.132 12.395 456 2HB HIS 62 3HB HIS 62 4.119 0.550 12.737 457 HD1 HIS 62 1HD HIS 62 6.842 -0.848 11.048 458 HD2 HIS 62 2HD HIS 62 6.636 1.859 14.273 459 HE1 HIS 62 1HE HIS 62 9.006 -1.070 12.317 460 H LEU 63 H LEU 63 3.141 0.876 8.410 461 HA LEU 63 HA LEU 63 1.577 3.298 8.992 462 1HB LEU 63 2HB LEU 63 1.766 1.436 6.610 463 2HB LEU 63 3HB LEU 63 0.559 2.715 6.708 464 HG LEU 63 HG LEU 63 2.495 3.383 5.421 465 1HD1 LEU 63 1HD1 LEU 63 1.038 5.009 6.586 466 2HD1 LEU 63 2HD1 LEU 63 2.199 5.069 7.936 467 3HD1 LEU 63 3HD1 LEU 63 2.677 5.588 6.324 468 1HD2 LEU 63 1HD2 LEU 63 4.631 3.941 6.393 469 2HD2 LEU 63 2HD2 LEU 63 4.105 3.487 8.007 470 3HD2 LEU 63 3HD2 LEU 63 4.310 2.237 6.755 471 H LYS 64 H LYS 64 -0.851 3.287 8.639 472 HA LYS 64 HA LYS 64 -2.038 0.965 10.116 473 1HB LYS 64 2HB LYS 64 -3.365 2.638 11.372 474 2HB LYS 64 3HB LYS 64 -1.670 2.521 11.830 475 1HG LYS 64 2HG LYS 64 -2.611 4.651 9.879 476 2HG LYS 64 3HG LYS 64 -2.817 4.875 11.607 477 1HD LYS 64 2HD LYS 64 -0.077 4.179 10.473 478 2HD LYS 64 3HD LYS 64 -0.722 5.785 10.409 479 1HE LYS 64 2HE LYS 64 -0.777 5.934 12.831 480 2HE LYS 64 3HE LYS 64 -0.577 4.185 13.009 481 1HZ LYS 64 1HZ LYS 64 1.480 5.998 11.944 482 2HZ LYS 64 2HZ LYS 64 1.465 5.329 13.443 483 3HZ LYS 64 3HZ LYS 64 1.645 4.367 12.118 484 H ILE 65 H ILE 65 -2.434 0.420 7.965 485 HA ILE 65 HA ILE 65 -4.142 2.084 6.337 486 HB ILE 65 HB ILE 65 -3.560 -0.813 5.713 487 1HG1 ILE 65 2HG1 ILE 65 -1.592 1.449 5.736 488 2HG1 ILE 65 3HG1 ILE 65 -1.453 -0.255 6.264 489 1HG2 ILE 65 1HG2 ILE 65 -5.110 0.387 4.299 490 2HG2 ILE 65 2HG2 ILE 65 -3.949 1.680 4.011 491 3HG2 ILE 65 3HG2 ILE 65 -3.638 0.076 3.385 492 1HD1 ILE 65 1HD1 ILE 65 -1.374 -0.971 3.919 493 2HD1 ILE 65 2HD1 ILE 65 -1.377 0.748 3.421 494 3HD1 ILE 65 3HD1 ILE 65 -0.044 0.100 4.380 495 H ILE 66 H ILE 66 -6.382 1.875 5.989 496 HA ILE 66 HA ILE 66 -7.798 -0.204 7.610 497 HB ILE 66 HB ILE 66 -8.430 2.730 7.285 498 1HG1 ILE 66 2HG1 ILE 66 -6.713 2.275 8.986 499 2HG1 ILE 66 3HG1 ILE 66 -8.210 2.878 9.683 500 1HG2 ILE 66 1HG2 ILE 66 -10.555 1.617 7.178 501 2HG2 ILE 66 2HG2 ILE 66 -10.137 0.531 8.514 502 3HG2 ILE 66 3HG2 ILE 66 -10.377 2.264 8.808 503 1HD1 ILE 66 1HD1 ILE 66 -8.820 0.559 10.390 504 2HD1 ILE 66 2HD1 ILE 66 -7.269 -0.025 9.747 505 3HD1 ILE 66 3HD1 ILE 66 -7.296 1.126 11.082 506 HA PRO 67 HA PRO 67 -9.785 -0.913 3.615 507 1HB PRO 67 2HB PRO 67 -11.548 -2.880 4.360 508 2HB PRO 67 3HB PRO 67 -9.811 -3.193 4.143 509 1HG PRO 67 2HG PRO 67 -11.285 -2.655 6.718 510 2HG PRO 67 3HG PRO 67 -10.078 -3.929 6.389 511 1HD PRO 67 2HD PRO 67 -9.456 -1.600 7.637 512 2HD PRO 67 3HD PRO 67 -8.289 -2.382 6.529 513 H GLU 68 H GLU 68 -10.836 0.972 3.259 514 HA GLU 68 HA GLU 68 -13.007 2.114 4.554 515 1HB GLU 68 2HB GLU 68 -11.500 3.055 2.934 516 2HB GLU 68 3HB GLU 68 -12.018 1.952 1.658 517 1HG GLU 68 2HG GLU 68 -14.257 3.437 2.815 518 2HG GLU 68 3HG GLU 68 -12.987 4.511 2.215 519 H LYS 69 H LYS 69 -12.932 -0.101 1.725 520 HA LYS 69 HA LYS 69 -15.796 -0.602 1.835 521 1HB LYS 69 2HB LYS 69 -13.460 -1.639 0.214 522 2HB LYS 69 3HB LYS 69 -14.996 -2.514 0.178 523 1HG LYS 69 2HG LYS 69 -14.949 0.488 -0.232 524 2HG LYS 69 3HG LYS 69 -14.595 -0.597 -1.584 525 1HD LYS 69 2HD LYS 69 -16.714 -1.597 -1.566 526 2HD LYS 69 3HD LYS 69 -17.057 -1.140 0.104 527 1HE LYS 69 2HE LYS 69 -17.216 1.247 -0.537 528 2HE LYS 69 3HE LYS 69 -16.943 0.812 -2.233 529 1HZ LYS 69 1HZ LYS 69 -19.286 1.047 -1.682 530 2HZ LYS 69 2HZ LYS 69 -18.961 -0.497 -2.153 531 3HZ LYS 69 3HZ LYS 69 -19.185 -0.153 -0.560 532 H GLU 70 H GLU 70 -16.654 -1.712 3.408 533 HA GLU 70 HA GLU 70 -15.217 -4.010 4.657 534 1HB GLU 70 2HB GLU 70 -15.669 -1.845 5.960 535 2HB GLU 70 3HB GLU 70 -17.381 -2.283 5.940 536 1HG GLU 70 2HG GLU 70 -15.178 -4.120 7.003 537 2HG GLU 70 3HG GLU 70 -15.991 -2.907 7.998 538 H ALA 71 H ALA 71 -18.496 -2.691 3.840 539 HA ALA 71 HA ALA 71 -19.211 -5.099 2.470 540 1HB ALA 71 1HB ALA 71 -21.338 -5.406 3.674 541 2HB ALA 71 2HB ALA 71 -19.974 -5.656 4.782 542 3HB ALA 71 3HB ALA 71 -20.893 -4.136 4.837 Start of MODEL 9 1 1H MET 1 H1 MET 1 -15.293 -9.851 -5.114 2 2H MET 1 H2 MET 1 -15.596 -9.747 -3.508 3 3H MET 1 H3 MET 1 -14.130 -9.320 -4.136 4 HA MET 1 HA MET 1 -13.896 -11.432 -3.064 5 1HB MET 1 2HB MET 1 -16.401 -11.905 -3.417 6 2HB MET 1 3HB MET 1 -15.974 -12.492 -5.024 7 1HG MET 1 2HG MET 1 -14.451 -14.177 -3.927 8 2HG MET 1 3HG MET 1 -14.954 -13.536 -2.351 9 1HE MET 1 1HE MET 1 -16.787 -16.924 -2.195 10 2HE MET 1 2HE MET 1 -15.125 -16.558 -2.716 11 3HE MET 1 3HE MET 1 -15.824 -15.729 -1.300 12 H ALA 2 H ALA 2 -11.809 -11.534 -3.912 13 HA ALA 2 HA ALA 2 -10.104 -11.583 -5.358 14 1HB ALA 2 1HB ALA 2 -10.196 -13.146 -7.256 15 2HB ALA 2 2HB ALA 2 -10.869 -13.870 -5.788 16 3HB ALA 2 3HB ALA 2 -11.947 -13.299 -7.083 17 H GLU 3 H GLU 3 -10.820 -9.228 -5.394 18 HA GLU 3 HA GLU 3 -11.196 -8.237 -8.146 19 1HB GLU 3 2HB GLU 3 -13.046 -7.695 -5.778 20 2HB GLU 3 3HB GLU 3 -12.964 -6.609 -7.160 21 1HG GLU 3 2HG GLU 3 -13.683 -8.316 -8.699 22 2HG GLU 3 3HG GLU 3 -13.660 -9.555 -7.444 23 H LYS 4 H LYS 4 -11.143 -5.742 -7.942 24 HA LYS 4 HA LYS 4 -8.624 -5.018 -6.633 25 1HB LYS 4 2HB LYS 4 -8.820 -2.979 -7.921 26 2HB LYS 4 3HB LYS 4 -9.188 -4.378 -8.947 27 1HG LYS 4 2HG LYS 4 -11.677 -3.858 -8.530 28 2HG LYS 4 3HG LYS 4 -11.153 -2.375 -7.754 29 1HD LYS 4 2HD LYS 4 -9.738 -2.499 -10.260 30 2HD LYS 4 3HD LYS 4 -11.356 -3.096 -10.599 31 1HE LYS 4 2HE LYS 4 -11.362 -0.736 -11.004 32 2HE LYS 4 3HE LYS 4 -12.312 -1.014 -9.538 33 1HZ LYS 4 1HZ LYS 4 -10.365 -0.361 -8.259 34 2HZ LYS 4 2HZ LYS 4 -9.489 -0.136 -9.631 35 3HZ LYS 4 3HZ LYS 4 -10.783 0.832 -9.314 36 H THR 5 H THR 5 -8.467 -2.977 -5.263 37 HA THR 5 HA THR 5 -10.903 -2.139 -3.870 38 HB THR 5 HB THR 5 -8.776 -3.792 -2.385 39 HG1 THR 5 1HG THR 5 -11.174 -4.207 -3.540 40 1HG2 THR 5 1HG2 THR 5 -9.646 -2.098 -0.809 41 2HG2 THR 5 2HG2 THR 5 -11.309 -2.389 -1.374 42 3HG2 THR 5 3HG2 THR 5 -10.436 -3.639 -0.480 43 H VAL 6 H VAL 6 -10.419 -0.391 -2.318 44 HA VAL 6 HA VAL 6 -7.673 0.270 -2.225 45 HB VAL 6 HB VAL 6 -8.420 1.699 -3.952 46 1HG1 VAL 6 1HG1 VAL 6 -10.847 2.513 -2.375 47 2HG1 VAL 6 2HG1 VAL 6 -10.301 3.215 -3.923 48 3HG1 VAL 6 3HG1 VAL 6 -10.778 1.522 -3.859 49 1HG2 VAL 6 1HG2 VAL 6 -8.220 4.025 -3.130 50 2HG2 VAL 6 2HG2 VAL 6 -8.649 3.510 -1.487 51 3HG2 VAL 6 3HG2 VAL 6 -7.112 3.008 -2.214 52 H TYR 7 H TYR 7 -6.956 1.295 -0.374 53 HA TYR 7 HA TYR 7 -8.826 1.045 1.956 54 1HB TYR 7 2HB TYR 7 -5.911 0.243 1.799 55 2HB TYR 7 3HB TYR 7 -7.012 0.000 3.151 56 HD1 TYR 7 HD1 TYR 7 -8.037 -2.082 3.420 57 HD2 TYR 7 HD2 TYR 7 -6.253 -1.083 -0.357 58 HE1 TYR 7 HE1 TYR 7 -8.581 -4.341 2.583 59 HE2 TYR 7 HE2 TYR 7 -6.629 -3.408 -1.130 60 HH TYR 7 HH TYR 7 -8.533 -5.773 0.705 61 H ARG 8 H ARG 8 -8.139 2.336 3.830 62 HA ARG 8 HA ARG 8 -6.935 4.916 2.950 63 1HB ARG 8 2HB ARG 8 -8.665 3.912 5.251 64 2HB ARG 8 3HB ARG 8 -7.727 5.366 5.511 65 1HG ARG 8 2HG ARG 8 -9.642 5.100 3.157 66 2HG ARG 8 3HG ARG 8 -10.122 5.611 4.791 67 1HD ARG 8 2HD ARG 8 -8.137 7.311 4.565 68 2HD ARG 8 3HD ARG 8 -8.412 7.106 2.826 69 HE ARG 8 HE ARG 8 -10.948 7.445 3.848 70 1HH1 ARG 8 2HH2 ARG 8 -7.984 9.339 4.169 71 2HH1 ARG 8 1HH2 ARG 8 -8.770 10.785 4.715 72 1HH2 ARG 8 2HH1 ARG 8 -12.031 9.319 4.548 73 2HH2 ARG 8 1HH1 ARG 8 -11.169 10.795 4.859 74 H VAL 9 H VAL 9 -4.789 5.167 3.332 75 HA VAL 9 HA VAL 9 -3.497 3.749 5.622 76 HB VAL 9 HB VAL 9 -2.413 3.132 3.595 77 1HG1 VAL 9 1HG1 VAL 9 -1.977 6.086 2.941 78 2HG1 VAL 9 2HG1 VAL 9 -1.412 4.685 2.025 79 3HG1 VAL 9 3HG1 VAL 9 -3.137 5.033 2.096 80 1HG2 VAL 9 1HG2 VAL 9 -0.968 3.684 5.555 81 2HG2 VAL 9 2HG2 VAL 9 -0.173 3.915 3.983 82 3HG2 VAL 9 3HG2 VAL 9 -0.732 5.321 4.890 83 H ASP 10 H ASP 10 -2.603 4.925 7.252 84 HA ASP 10 HA ASP 10 -2.129 7.795 6.827 85 1HB ASP 10 2HB ASP 10 -4.209 6.685 8.705 86 2HB ASP 10 3HB ASP 10 -3.082 7.895 9.366 87 H GLY 11 H GLY 11 -0.655 8.625 8.330 88 1HA GLY 11 1HA GLY 11 0.729 7.998 10.386 89 2HA GLY 11 2HA GLY 11 1.224 6.576 9.453 90 H LEU 12 H LEU 12 2.076 7.068 7.190 91 HA LEU 12 HA LEU 12 4.186 9.071 7.548 92 1HB LEU 12 2HB LEU 12 5.277 7.958 5.693 93 2HB LEU 12 3HB LEU 12 4.893 6.896 7.045 94 HG LEU 12 HG LEU 12 3.246 5.721 5.886 95 1HD1 LEU 12 1HD1 LEU 12 1.894 7.327 4.769 96 2HD1 LEU 12 2HD1 LEU 12 3.238 7.795 3.678 97 3HD1 LEU 12 3HD1 LEU 12 2.502 6.184 3.609 98 1HD2 LEU 12 1HD2 LEU 12 4.602 4.857 4.039 99 2HD2 LEU 12 2HD2 LEU 12 5.352 6.451 3.812 100 3HD2 LEU 12 3HD2 LEU 12 5.740 5.478 5.241 101 H SER 13 H SER 13 5.004 10.186 5.548 102 HA SER 13 HA SER 13 3.127 10.890 3.424 103 1HB SER 13 2HB SER 13 3.986 12.913 5.540 104 2HB SER 13 3HB SER 13 3.386 13.375 3.941 105 HG SER 13 HG SER 13 1.777 13.249 5.691 106 H CYS 14 H CYS 14 4.992 9.834 2.234 107 HA CYS 14 HA CYS 14 6.824 11.929 1.404 108 1HB CYS 14 2HB CYS 14 8.097 11.090 3.327 109 2HB CYS 14 3HB CYS 14 7.979 9.431 2.702 110 HG CYS 14 HG CYS 14 10.375 10.424 2.302 111 H THR 15 H THR 15 7.484 11.694 -0.675 112 HA THR 15 HA THR 15 6.141 9.862 -2.370 113 HB THR 15 HB THR 15 8.617 11.557 -2.922 114 HG1 THR 15 1HG THR 15 6.144 12.258 -2.246 115 1HG2 THR 15 1HG2 THR 15 7.725 11.594 -5.246 116 2HG2 THR 15 2HG2 THR 15 8.212 9.968 -4.743 117 3HG2 THR 15 3HG2 THR 15 6.490 10.405 -4.783 118 H ASN 16 H ASN 16 9.604 9.901 -1.253 119 HA ASN 16 HA ASN 16 10.357 7.659 -2.723 120 1HB ASN 16 2HB ASN 16 11.447 8.779 -0.119 121 2HB ASN 16 3HB ASN 16 12.166 7.394 -0.957 122 1HD2 ASN 16 1HD2 ASN 16 14.084 8.989 -0.927 123 2HD2 ASN 16 2HD2 ASN 16 14.191 10.033 -2.332 124 H CYS 17 H CYS 17 8.875 7.885 0.517 125 HA CYS 17 HA CYS 17 8.906 5.074 1.090 126 1HB CYS 17 2HB CYS 17 6.949 7.234 1.982 127 2HB CYS 17 3HB CYS 17 6.969 5.544 2.514 128 HG CYS 17 HG CYS 17 9.370 5.523 3.458 129 H ALA 18 H ALA 18 6.531 7.189 -0.619 130 HA ALA 18 HA ALA 18 4.602 5.209 -1.208 131 1HB ALA 18 1HB ALA 18 5.345 7.430 -3.142 132 2HB ALA 18 2HB ALA 18 3.783 6.675 -2.863 133 3HB ALA 18 3HB ALA 18 4.468 7.738 -1.630 134 H ALA 19 H ALA 19 7.546 6.096 -2.987 135 HA ALA 19 HA ALA 19 7.258 4.274 -5.150 136 1HB ALA 19 1HB ALA 19 8.927 6.102 -5.097 137 2HB ALA 19 2HB ALA 19 9.869 5.208 -3.887 138 3HB ALA 19 3HB ALA 19 9.643 4.531 -5.505 139 H LYS 20 H LYS 20 8.966 3.909 -2.027 140 HA LYS 20 HA LYS 20 9.771 1.234 -2.209 141 1HB LYS 20 2HB LYS 20 9.758 3.174 -0.185 142 2HB LYS 20 3HB LYS 20 8.531 2.079 0.402 143 1HG LYS 20 2HG LYS 20 10.331 1.195 1.409 144 2HG LYS 20 3HG LYS 20 10.293 0.187 -0.041 145 1HD LYS 20 2HD LYS 20 12.381 0.934 -0.663 146 2HD LYS 20 3HD LYS 20 11.822 2.595 -0.631 147 1HE LYS 20 2HE LYS 20 13.622 2.535 0.907 148 2HE LYS 20 3HE LYS 20 12.153 2.641 1.880 149 1HZ LYS 20 1HZ LYS 20 13.734 0.204 1.348 150 2HZ LYS 20 2HZ LYS 20 13.646 1.021 2.770 151 3HZ LYS 20 3HZ LYS 20 12.326 0.226 2.197 152 H PHE 21 H PHE 21 6.651 2.569 -1.118 153 HA PHE 21 HA PHE 21 5.541 0.088 -0.368 154 1HB PHE 21 2HB PHE 21 4.819 2.581 0.128 155 2HB PHE 21 3HB PHE 21 3.794 2.391 -1.283 156 HD1 PHE 21 1HD PHE 21 1.536 1.952 -0.559 157 HD2 PHE 21 2HD PHE 21 4.807 0.199 1.654 158 HE1 PHE 21 1HE PHE 21 0.063 1.591 1.417 159 HE2 PHE 21 2HE PHE 21 3.233 -0.480 3.392 160 HZ PHE 21 HZ PHE 21 1.001 0.527 3.465 161 H GLU 22 H GLU 22 4.913 2.054 -3.382 162 HA GLU 22 HA GLU 22 3.151 0.096 -4.427 163 1HB GLU 22 2HB GLU 22 3.188 1.132 -6.461 164 2HB GLU 22 3HB GLU 22 3.332 2.434 -5.282 165 1HG GLU 22 2HG GLU 22 5.640 2.806 -5.867 166 2HG GLU 22 3HG GLU 22 5.694 1.346 -6.874 167 H ARG 23 H ARG 23 6.674 0.529 -4.781 168 HA ARG 23 HA ARG 23 7.001 -1.598 -6.620 169 1HB ARG 23 2HB ARG 23 8.793 0.105 -5.971 170 2HB ARG 23 3HB ARG 23 9.063 -0.820 -4.495 171 1HG ARG 23 2HG ARG 23 10.170 -2.498 -5.580 172 2HG ARG 23 3HG ARG 23 8.986 -2.587 -6.870 173 1HD ARG 23 2HD ARG 23 10.935 -2.000 -7.958 174 2HD ARG 23 3HD ARG 23 9.983 -0.501 -7.868 175 HE ARG 23 HE ARG 23 11.880 -0.977 -5.667 176 1HH1 ARG 23 2HH2 ARG 23 11.521 0.420 -8.882 177 2HH1 ARG 23 1HH2 ARG 23 12.951 1.400 -8.813 178 1HH2 ARG 23 2HH1 ARG 23 13.838 0.249 -5.554 179 2HH2 ARG 23 1HH1 ARG 23 14.308 1.290 -6.861 180 H ASN 24 H ASN 24 7.224 -1.657 -2.994 181 HA ASN 24 HA ASN 24 7.632 -4.423 -2.635 182 1HB ASN 24 2HB ASN 24 6.023 -2.383 -1.052 183 2HB ASN 24 3HB ASN 24 5.956 -4.088 -0.648 184 1HD2 ASN 24 1HD2 ASN 24 7.373 -1.376 0.316 185 2HD2 ASN 24 2HD2 ASN 24 8.710 -2.156 1.172 186 H VAL 25 H VAL 25 4.504 -2.674 -3.114 187 HA VAL 25 HA VAL 25 2.930 -5.033 -3.072 188 HB VAL 25 HB VAL 25 2.275 -2.517 -4.660 189 1HG1 VAL 25 1HG1 VAL 25 0.712 -4.180 -5.209 190 2HG1 VAL 25 2HG1 VAL 25 0.655 -4.838 -3.555 191 3HG1 VAL 25 3HG1 VAL 25 -0.087 -3.288 -3.908 192 1HG2 VAL 25 1HG2 VAL 25 2.525 -2.887 -1.750 193 2HG2 VAL 25 2HG2 VAL 25 2.293 -1.409 -2.711 194 3HG2 VAL 25 3HG2 VAL 25 0.910 -2.352 -2.233 195 H LYS 26 H LYS 26 4.349 -3.346 -5.889 196 HA LYS 26 HA LYS 26 3.558 -5.118 -7.929 197 1HB LYS 26 2HB LYS 26 5.796 -3.143 -7.521 198 2HB LYS 26 3HB LYS 26 6.008 -4.346 -8.767 199 1HG LYS 26 2HG LYS 26 5.142 -2.697 -10.003 200 2HG LYS 26 3HG LYS 26 3.696 -3.614 -9.616 201 1HD LYS 26 2HD LYS 26 3.158 -1.963 -7.828 202 2HD LYS 26 3HD LYS 26 4.602 -1.025 -8.277 203 1HE LYS 26 2HE LYS 26 3.728 -0.746 -10.588 204 2HE LYS 26 3HE LYS 26 2.297 -1.698 -10.182 205 1HZ LYS 26 1HZ LYS 26 2.984 0.976 -9.106 206 2HZ LYS 26 2HZ LYS 26 1.809 0.573 -10.196 207 3HZ LYS 26 3HZ LYS 26 1.631 0.123 -8.659 208 H GLU 27 H GLU 27 6.300 -5.432 -5.620 209 HA GLU 27 HA GLU 27 7.387 -7.784 -6.839 210 1HB GLU 27 2HB GLU 27 7.654 -6.652 -4.032 211 2HB GLU 27 3HB GLU 27 8.548 -8.046 -4.617 212 1HG GLU 27 2HG GLU 27 9.688 -6.766 -6.297 213 2HG GLU 27 3HG GLU 27 8.665 -5.353 -6.033 214 H ILE 28 H ILE 28 4.469 -7.435 -4.905 215 HA ILE 28 HA ILE 28 4.573 -10.162 -3.856 216 HB ILE 28 HB ILE 28 2.170 -8.421 -4.214 217 1HG1 ILE 28 2HG1 ILE 28 3.747 -8.536 -1.618 218 2HG1 ILE 28 3HG1 ILE 28 3.894 -7.236 -2.799 219 1HG2 ILE 28 1HG2 ILE 28 2.096 -10.107 -1.850 220 2HG2 ILE 28 2HG2 ILE 28 1.010 -10.075 -3.251 221 3HG2 ILE 28 3HG2 ILE 28 2.462 -11.097 -3.249 222 1HD1 ILE 28 1HD1 ILE 28 1.512 -6.729 -2.674 223 2HD1 ILE 28 2HD1 ILE 28 1.255 -8.021 -1.523 224 3HD1 ILE 28 3HD1 ILE 28 2.255 -6.625 -1.062 225 H GLU 29 H GLU 29 4.184 -11.921 -5.115 226 HA GLU 29 HA GLU 29 3.289 -11.843 -7.785 227 1HB GLU 29 2HB GLU 29 3.736 -14.031 -5.697 228 2HB GLU 29 3HB GLU 29 3.223 -14.369 -7.337 229 1HG GLU 29 2HG GLU 29 5.220 -13.270 -8.258 230 2HG GLU 29 3HG GLU 29 5.784 -12.886 -6.621 231 H GLY 30 H GLY 30 1.504 -11.843 -4.908 232 1HA GLY 30 1HA GLY 30 -0.881 -13.240 -5.789 233 2HA GLY 30 2HA GLY 30 -0.745 -12.147 -4.403 234 H VAL 31 H VAL 31 0.284 -9.858 -6.039 235 HA VAL 31 HA VAL 31 -2.404 -8.931 -6.765 236 HB VAL 31 HB VAL 31 -0.706 -7.966 -5.038 237 1HG1 VAL 31 1HG1 VAL 31 0.170 -6.302 -7.412 238 2HG1 VAL 31 2HG1 VAL 31 0.730 -6.305 -5.733 239 3HG1 VAL 31 3HG1 VAL 31 1.124 -7.666 -6.787 240 1HG2 VAL 31 1HG2 VAL 31 -1.641 -5.799 -5.222 241 2HG2 VAL 31 2HG2 VAL 31 -2.271 -6.106 -6.843 242 3HG2 VAL 31 3HG2 VAL 31 -2.893 -7.039 -5.466 243 H THR 32 H THR 32 -1.995 -6.918 -8.496 244 HA THR 32 HA THR 32 -0.237 -7.796 -10.681 245 HB THR 32 HB THR 32 -3.165 -7.101 -11.117 246 HG1 THR 32 1HG THR 32 -1.745 -9.433 -10.788 247 1HG2 THR 32 1HG2 THR 32 -0.954 -7.812 -13.083 248 2HG2 THR 32 2HG2 THR 32 -2.682 -7.653 -13.466 249 3HG2 THR 32 3HG2 THR 32 -1.764 -6.235 -12.934 250 H GLU 33 H GLU 33 -2.625 -5.117 -9.885 251 HA GLU 33 HA GLU 33 -0.262 -3.312 -10.090 252 1HB GLU 33 2HB GLU 33 -3.040 -3.285 -11.236 253 2HB GLU 33 3HB GLU 33 -2.478 -1.739 -10.575 254 1HG GLU 33 2HG GLU 33 -0.661 -3.382 -12.365 255 2HG GLU 33 3HG GLU 33 -1.947 -2.370 -12.978 256 H ALA 34 H ALA 34 -0.496 -1.332 -9.015 257 HA ALA 34 HA ALA 34 -2.461 -1.087 -6.949 258 1HB ALA 34 1HB ALA 34 -1.067 -2.588 -5.698 259 2HB ALA 34 2HB ALA 34 0.395 -1.616 -6.024 260 3HB ALA 34 3HB ALA 34 -0.894 -0.975 -4.979 261 H ILE 35 H ILE 35 -2.782 1.032 -6.416 262 HA ILE 35 HA ILE 35 -0.744 2.992 -7.436 263 HB ILE 35 HB ILE 35 -3.752 3.410 -7.514 264 1HG1 ILE 35 2HG1 ILE 35 -3.401 3.396 -10.000 265 2HG1 ILE 35 3HG1 ILE 35 -1.857 2.576 -9.760 266 1HG2 ILE 35 1HG2 ILE 35 -1.406 4.953 -8.683 267 2HG2 ILE 35 2HG2 ILE 35 -3.123 5.371 -8.841 268 3HG2 ILE 35 3HG2 ILE 35 -2.348 5.435 -7.257 269 1HD1 ILE 35 1HD1 ILE 35 -4.484 1.455 -8.685 270 2HD1 ILE 35 2HD1 ILE 35 -3.999 1.226 -10.372 271 3HD1 ILE 35 3HD1 ILE 35 -2.997 0.564 -9.092 272 H VAL 36 H VAL 36 0.231 3.525 -5.559 273 HA VAL 36 HA VAL 36 -1.310 4.022 -3.099 274 HB VAL 36 HB VAL 36 0.842 2.830 -3.036 275 1HG1 VAL 36 1HG1 VAL 36 2.941 3.921 -3.424 276 2HG1 VAL 36 2HG1 VAL 36 1.992 4.133 -4.906 277 3HG1 VAL 36 3HG1 VAL 36 2.164 5.471 -3.772 278 1HG2 VAL 36 1HG2 VAL 36 1.858 4.137 -1.210 279 2HG2 VAL 36 2HG2 VAL 36 0.896 5.546 -1.657 280 3HG2 VAL 36 3HG2 VAL 36 0.088 4.080 -1.054 281 H ASN 37 H ASN 37 -1.950 6.126 -2.404 282 HA ASN 37 HA ASN 37 -0.932 8.450 -3.984 283 1HB ASN 37 2HB ASN 37 -2.826 8.315 -1.627 284 2HB ASN 37 3HB ASN 37 -2.340 9.775 -2.473 285 1HD2 ASN 37 1HD2 ASN 37 -3.988 6.622 -2.958 286 2HD2 ASN 37 2HD2 ASN 37 -4.939 7.158 -4.346 287 H PHE 38 H PHE 38 -1.097 7.433 -0.562 288 HA PHE 38 HA PHE 38 -0.030 8.163 1.313 289 1HB PHE 38 2HB PHE 38 2.337 8.359 -0.600 290 2HB PHE 38 3HB PHE 38 2.460 8.814 1.079 291 HD1 PHE 38 1HD PHE 38 0.209 6.020 0.954 292 HD2 PHE 38 2HD PHE 38 4.380 7.144 0.809 293 HE1 PHE 38 1HE PHE 38 0.835 3.846 1.874 294 HE2 PHE 38 2HE PHE 38 4.985 4.852 1.565 295 HZ PHE 38 HZ PHE 38 3.222 3.235 2.159 296 H GLY 39 H GLY 39 1.413 10.203 2.131 297 1HA GLY 39 1HA GLY 39 1.303 12.458 2.528 298 2HA GLY 39 2HA GLY 39 0.671 12.713 0.895 299 H ALA 40 H ALA 40 -0.751 10.508 3.264 300 HA ALA 40 HA ALA 40 -2.566 10.526 4.609 301 1HB ALA 40 1HB ALA 40 -2.737 13.547 4.226 302 2HB ALA 40 2HB ALA 40 -3.566 12.555 5.433 303 3HB ALA 40 3HB ALA 40 -1.799 12.703 5.479 304 H SER 41 H SER 41 -3.328 9.251 2.822 305 HA SER 41 HA SER 41 -5.694 10.308 1.519 306 1HB SER 41 2HB SER 41 -3.132 9.937 -0.032 307 2HB SER 41 3HB SER 41 -4.720 9.759 -0.823 308 HG SER 41 HG SER 41 -4.128 12.032 0.728 309 H LYS 42 H LYS 42 -4.236 7.800 -0.324 310 HA LYS 42 HA LYS 42 -5.296 5.623 1.243 311 1HB LYS 42 2HB LYS 42 -7.110 5.044 -0.327 312 2HB LYS 42 3HB LYS 42 -7.366 6.564 0.511 313 1HG LYS 42 2HG LYS 42 -6.281 7.610 -1.726 314 2HG LYS 42 3HG LYS 42 -6.794 6.055 -2.410 315 1HD LYS 42 2HD LYS 42 -9.065 6.477 -1.372 316 2HD LYS 42 3HD LYS 42 -8.461 8.074 -0.863 317 1HE LYS 42 2HE LYS 42 -8.084 8.674 -3.266 318 2HE LYS 42 3HE LYS 42 -8.752 7.104 -3.747 319 1HZ LYS 42 1HZ LYS 42 -10.398 8.829 -3.876 320 2HZ LYS 42 2HZ LYS 42 -10.833 7.756 -2.710 321 3HZ LYS 42 3HZ LYS 42 -10.208 9.219 -2.294 322 H ILE 43 H ILE 43 -5.216 3.594 0.056 323 HA ILE 43 HA ILE 43 -3.189 3.554 -2.147 324 HB ILE 43 HB ILE 43 -1.995 3.145 -0.160 325 1HG1 ILE 43 2HG1 ILE 43 -1.276 1.732 -2.034 326 2HG1 ILE 43 3HG1 ILE 43 -0.958 1.022 -0.454 327 1HG2 ILE 43 1HG2 ILE 43 -3.635 2.609 1.454 328 2HG2 ILE 43 2HG2 ILE 43 -4.092 1.125 0.616 329 3HG2 ILE 43 3HG2 ILE 43 -2.503 1.255 1.393 330 1HD1 ILE 43 1HD1 ILE 43 -1.606 -0.744 -1.794 331 2HD1 ILE 43 2HD1 ILE 43 -2.984 -0.431 -0.726 332 3HD1 ILE 43 3HD1 ILE 43 -3.016 0.093 -2.416 333 H THR 44 H THR 44 -3.964 2.647 -3.918 334 HA THR 44 HA THR 44 -6.247 0.778 -3.773 335 HB THR 44 HB THR 44 -4.917 2.196 -6.084 336 HG1 THR 44 1HG THR 44 -7.102 2.969 -6.133 337 1HG2 THR 44 1HG2 THR 44 -6.852 1.416 -7.442 338 2HG2 THR 44 2HG2 THR 44 -5.835 0.074 -6.954 339 3HG2 THR 44 3HG2 THR 44 -7.363 0.381 -6.096 340 H VAL 45 H VAL 45 -6.211 -1.174 -4.664 341 HA VAL 45 HA VAL 45 -3.644 -2.524 -5.376 342 HB VAL 45 HB VAL 45 -5.848 -3.376 -3.488 343 1HG1 VAL 45 1HG1 VAL 45 -3.266 -4.827 -4.159 344 2HG1 VAL 45 2HG1 VAL 45 -4.496 -5.395 -3.019 345 3HG1 VAL 45 3HG1 VAL 45 -4.871 -5.330 -4.749 346 1HG2 VAL 45 1HG2 VAL 45 -4.457 -1.823 -2.306 347 2HG2 VAL 45 2HG2 VAL 45 -4.014 -3.435 -1.744 348 3HG2 VAL 45 3HG2 VAL 45 -2.971 -2.600 -2.913 349 H THR 46 H THR 46 -3.993 -3.834 -7.238 350 HA THR 46 HA THR 46 -6.755 -4.450 -8.112 351 HB THR 46 HB THR 46 -4.791 -2.720 -9.688 352 HG1 THR 46 1HG THR 46 -6.644 -2.432 -7.935 353 1HG2 THR 46 1HG2 THR 46 -7.518 -3.870 -10.493 354 2HG2 THR 46 2HG2 THR 46 -6.685 -2.551 -11.340 355 3HG2 THR 46 3HG2 THR 46 -5.977 -4.169 -11.316 356 H GLY 47 H GLY 47 -5.948 -6.412 -7.392 357 1HA GLY 47 1HA GLY 47 -5.014 -7.944 -9.680 358 2HA GLY 47 2HA GLY 47 -3.881 -7.954 -8.328 359 H GLU 48 H GLU 48 -4.222 -9.639 -6.944 360 HA GLU 48 HA GLU 48 -6.919 -10.340 -6.043 361 1HB GLU 48 2HB GLU 48 -5.911 -11.816 -8.098 362 2HB GLU 48 3HB GLU 48 -5.175 -12.693 -6.762 363 1HG GLU 48 2HG GLU 48 -8.136 -12.073 -7.158 364 2HG GLU 48 3HG GLU 48 -7.355 -13.632 -7.450 365 H ALA 49 H ALA 49 -5.523 -8.851 -4.500 366 HA ALA 49 HA ALA 49 -4.612 -10.619 -2.357 367 1HB ALA 49 1HB ALA 49 -2.821 -8.466 -3.572 368 2HB ALA 49 2HB ALA 49 -2.543 -9.252 -2.013 369 3HB ALA 49 3HB ALA 49 -2.490 -10.214 -3.507 370 H SER 50 H SER 50 -4.315 -9.410 -0.356 371 HA SER 50 HA SER 50 -6.204 -7.119 -0.134 372 1HB SER 50 2HB SER 50 -5.465 -9.363 1.793 373 2HB SER 50 3HB SER 50 -6.429 -7.951 2.245 374 HG SER 50 HG SER 50 -7.713 -9.791 1.563 375 H ILE 51 H ILE 51 -5.714 -5.566 1.560 376 HA ILE 51 HA ILE 51 -3.262 -4.503 1.307 377 HB ILE 51 HB ILE 51 -5.445 -3.490 2.325 378 1HG1 ILE 51 2HG1 ILE 51 -4.212 -1.781 3.470 379 2HG1 ILE 51 3HG1 ILE 51 -2.724 -2.735 3.293 380 1HG2 ILE 51 1HG2 ILE 51 -4.071 -4.157 4.953 381 2HG2 ILE 51 2HG2 ILE 51 -5.585 -3.283 4.704 382 3HG2 ILE 51 3HG2 ILE 51 -5.516 -5.016 4.349 383 1HD1 ILE 51 1HD1 ILE 51 -3.951 -2.545 0.677 384 2HD1 ILE 51 2HD1 ILE 51 -4.035 -0.956 1.415 385 3HD1 ILE 51 3HD1 ILE 51 -2.467 -1.746 1.242 386 H GLN 52 H GLN 52 -4.102 -6.869 3.803 387 HA GLN 52 HA GLN 52 -2.162 -6.754 5.652 388 1HB GLN 52 2HB GLN 52 -3.283 -9.087 4.097 389 2HB GLN 52 3HB GLN 52 -2.051 -9.384 5.325 390 1HG GLN 52 2HG GLN 52 -4.450 -7.678 6.071 391 2HG GLN 52 3HG GLN 52 -4.598 -9.436 5.965 392 1HE2 GLN 52 1HE2 GLN 52 -2.769 -6.790 7.761 393 2HE2 GLN 52 2HE2 GLN 52 -2.343 -7.903 9.033 394 H GLN 53 H GLN 53 -1.493 -7.974 2.333 395 HA GLN 53 HA GLN 53 1.270 -8.627 2.997 396 1HB GLN 53 2HB GLN 53 -0.074 -8.155 0.319 397 2HB GLN 53 3HB GLN 53 1.555 -8.839 0.571 398 1HG GLN 53 2HG GLN 53 0.568 -10.701 1.877 399 2HG GLN 53 3HG GLN 53 -1.060 -10.074 1.554 400 1HE2 GLN 53 1HE2 GLN 53 0.675 -12.599 0.642 401 2HE2 GLN 53 2HE2 GLN 53 0.284 -12.645 -1.068 402 H VAL 54 H VAL 54 -0.351 -5.742 1.752 403 HA VAL 54 HA VAL 54 2.065 -4.325 1.011 404 HB VAL 54 HB VAL 54 -0.773 -3.272 1.502 405 1HG1 VAL 54 1HG1 VAL 54 -0.018 -1.456 -0.032 406 2HG1 VAL 54 2HG1 VAL 54 0.711 -1.503 1.573 407 3HG1 VAL 54 3HG1 VAL 54 1.650 -2.051 0.177 408 1HG2 VAL 54 1HG2 VAL 54 0.528 -4.365 -1.018 409 2HG2 VAL 54 2HG2 VAL 54 -0.916 -4.989 -0.202 410 3HG2 VAL 54 3HG2 VAL 54 -0.977 -3.413 -0.988 411 H GLU 55 H GLU 55 -0.207 -4.417 3.732 412 HA GLU 55 HA GLU 55 0.778 -2.488 5.478 413 1HB GLU 55 2HB GLU 55 -1.372 -3.848 5.501 414 2HB GLU 55 3HB GLU 55 -0.436 -5.198 6.157 415 1HG GLU 55 2HG GLU 55 0.076 -3.918 8.152 416 2HG GLU 55 3HG GLU 55 -0.693 -2.477 7.454 417 H GLN 56 H GLN 56 1.577 -6.020 5.173 418 HA GLN 56 HA GLN 56 3.547 -6.188 7.080 419 1HB GLN 56 2HB GLN 56 2.456 -8.018 5.595 420 2HB GLN 56 3HB GLN 56 3.677 -7.598 4.389 421 1HG GLN 56 2HG GLN 56 4.509 -9.439 5.545 422 2HG GLN 56 3HG GLN 56 5.431 -8.051 6.157 423 1HE2 GLN 56 1HE2 GLN 56 5.671 -10.152 7.760 424 2HE2 GLN 56 2HE2 GLN 56 4.583 -10.063 9.136 425 H ALA 57 H ALA 57 4.081 -5.286 3.550 426 HA ALA 57 HA ALA 57 6.826 -4.678 3.811 427 1HB ALA 57 1HB ALA 57 4.600 -3.621 2.019 428 2HB ALA 57 2HB ALA 57 6.260 -3.056 1.933 429 3HB ALA 57 3HB ALA 57 5.890 -4.775 1.644 430 H GLY 58 H GLY 58 3.925 -2.642 4.338 431 1HA GLY 58 1HA GLY 58 5.111 -0.193 4.914 432 2HA GLY 58 2HA GLY 58 3.547 -0.768 5.533 433 H ALA 59 H ALA 59 5.185 -3.108 6.887 434 HA ALA 59 HA ALA 59 5.579 -2.196 9.467 435 1HB ALA 59 1HB ALA 59 5.789 -4.557 8.804 436 2HB ALA 59 2HB ALA 59 7.321 -4.187 7.965 437 3HB ALA 59 3HB ALA 59 7.203 -4.013 9.725 438 H PHE 60 H PHE 60 7.694 -1.627 6.620 439 HA PHE 60 HA PHE 60 9.991 -0.773 7.939 440 1HB PHE 60 2HB PHE 60 10.549 0.569 6.028 441 2HB PHE 60 3HB PHE 60 9.979 -1.031 5.583 442 HD1 PHE 60 1HD PHE 60 8.806 2.552 5.862 443 HD2 PHE 60 2HD PHE 60 8.583 -1.155 3.692 444 HE1 PHE 60 1HE PHE 60 7.214 3.582 4.286 445 HE2 PHE 60 2HE PHE 60 7.065 -0.098 2.060 446 HZ PHE 60 HZ PHE 60 6.340 2.267 2.361 447 H GLU 61 H GLU 61 6.971 1.069 7.627 448 HA GLU 61 HA GLU 61 8.099 3.110 9.522 449 1HB GLU 61 2HB GLU 61 6.629 3.492 6.926 450 2HB GLU 61 3HB GLU 61 6.366 4.652 8.228 451 1HG GLU 61 2HG GLU 61 9.219 3.988 7.488 452 2HG GLU 61 3HG GLU 61 8.265 5.054 6.435 453 H HIS 62 H HIS 62 6.177 0.551 9.405 454 HA HIS 62 HA HIS 62 4.566 -0.237 10.771 455 1HB HIS 62 2HB HIS 62 4.886 2.262 12.464 456 2HB HIS 62 3HB HIS 62 4.338 0.666 12.970 457 HD1 HIS 62 1HD HIS 62 6.908 -0.893 11.516 458 HD2 HIS 62 2HD HIS 62 7.021 2.546 13.929 459 HE1 HIS 62 1HE HIS 62 9.217 -0.809 12.533 460 H LEU 63 H LEU 63 3.631 0.856 8.501 461 HA LEU 63 HA LEU 63 1.740 2.987 8.890 462 1HB LEU 63 2HB LEU 63 2.182 0.884 6.752 463 2HB LEU 63 3HB LEU 63 0.716 1.870 6.737 464 HG LEU 63 HG LEU 63 1.975 3.934 6.711 465 1HD1 LEU 63 1HD1 LEU 63 4.453 2.172 6.744 466 2HD1 LEU 63 2HD1 LEU 63 4.454 3.872 6.285 467 3HD1 LEU 63 3HD1 LEU 63 4.000 3.436 7.923 468 1HD2 LEU 63 1HD2 LEU 63 3.160 2.120 4.588 469 2HD2 LEU 63 2HD2 LEU 63 1.438 2.551 4.613 470 3HD2 LEU 63 3HD2 LEU 63 2.653 3.821 4.455 471 H LYS 64 H LYS 64 -0.607 2.938 8.907 472 HA LYS 64 HA LYS 64 -1.786 0.379 9.852 473 1HB LYS 64 2HB LYS 64 -3.119 1.669 11.467 474 2HB LYS 64 3HB LYS 64 -1.398 1.622 11.796 475 1HG LYS 64 2HG LYS 64 -1.870 3.732 12.372 476 2HG LYS 64 3HG LYS 64 -1.239 3.990 10.756 477 1HD LYS 64 2HD LYS 64 -3.274 4.769 9.965 478 2HD LYS 64 3HD LYS 64 -4.150 3.497 10.786 479 1HE LYS 64 2HE LYS 64 -4.966 5.392 11.862 480 2HE LYS 64 3HE LYS 64 -3.728 4.848 12.991 481 1HZ LYS 64 1HZ LYS 64 -2.236 6.474 11.857 482 2HZ LYS 64 2HZ LYS 64 -3.537 7.001 10.998 483 3HZ LYS 64 3HZ LYS 64 -3.515 7.174 12.629 484 H ILE 65 H ILE 65 -3.012 -0.217 8.159 485 HA ILE 65 HA ILE 65 -4.344 1.935 6.614 486 HB ILE 65 HB ILE 65 -3.868 -0.784 5.453 487 1HG1 ILE 65 2HG1 ILE 65 -1.797 1.401 5.657 488 2HG1 ILE 65 3HG1 ILE 65 -1.708 -0.330 6.066 489 1HG2 ILE 65 1HG2 ILE 65 -4.104 1.967 4.220 490 2HG2 ILE 65 2HG2 ILE 65 -4.189 0.448 3.358 491 3HG2 ILE 65 3HG2 ILE 65 -5.468 0.887 4.486 492 1HD1 ILE 65 1HD1 ILE 65 -2.251 -0.475 3.382 493 2HD1 ILE 65 2HD1 ILE 65 -1.265 0.984 3.486 494 3HD1 ILE 65 3HD1 ILE 65 -0.681 -0.579 4.135 495 H ILE 66 H ILE 66 -6.541 1.919 6.629 496 HA ILE 66 HA ILE 66 -7.835 -0.409 7.957 497 HB ILE 66 HB ILE 66 -8.883 2.421 7.715 498 1HG1 ILE 66 2HG1 ILE 66 -8.541 1.936 10.394 499 2HG1 ILE 66 3HG1 ILE 66 -7.178 1.016 9.764 500 1HG2 ILE 66 1HG2 ILE 66 -9.885 0.005 9.287 501 2HG2 ILE 66 2HG2 ILE 66 -10.573 1.639 9.327 502 3HG2 ILE 66 3HG2 ILE 66 -10.661 0.692 7.842 503 1HD1 ILE 66 1HD1 ILE 66 -7.796 3.966 9.256 504 2HD1 ILE 66 2HD1 ILE 66 -6.553 3.323 10.341 505 3HD1 ILE 66 3HD1 ILE 66 -6.389 3.107 8.589 506 HA PRO 67 HA PRO 67 -9.873 -0.945 3.874 507 1HB PRO 67 2HB PRO 67 -11.649 -2.886 4.600 508 2HB PRO 67 3HB PRO 67 -9.934 -3.246 4.281 509 1HG PRO 67 2HG PRO 67 -11.267 -2.845 6.954 510 2HG PRO 67 3HG PRO 67 -10.101 -4.113 6.482 511 1HD PRO 67 2HD PRO 67 -9.399 -1.870 7.848 512 2HD PRO 67 3HD PRO 67 -8.278 -2.617 6.672 513 H GLU 68 H GLU 68 -10.879 0.994 3.700 514 HA GLU 68 HA GLU 68 -12.851 2.045 5.383 515 1HB GLU 68 2HB GLU 68 -12.009 2.425 2.527 516 2HB GLU 68 3HB GLU 68 -13.678 2.886 2.859 517 1HG GLU 68 2HG GLU 68 -11.411 3.825 4.620 518 2HG GLU 68 3HG GLU 68 -11.953 4.716 3.171 519 H LYS 69 H LYS 69 -15.151 2.304 4.935 520 HA LYS 69 HA LYS 69 -16.230 -0.427 4.775 521 1HB LYS 69 2HB LYS 69 -16.999 1.714 6.284 522 2HB LYS 69 3HB LYS 69 -18.142 1.860 4.942 523 1HG LYS 69 2HG LYS 69 -19.179 0.497 6.631 524 2HG LYS 69 3HG LYS 69 -18.734 -0.574 5.306 525 1HD LYS 69 2HD LYS 69 -16.447 -0.714 6.883 526 2HD LYS 69 3HD LYS 69 -17.649 -0.359 8.112 527 1HE LYS 69 2HE LYS 69 -18.941 -2.351 7.527 528 2HE LYS 69 3HE LYS 69 -17.964 -2.624 6.073 529 1HZ LYS 69 1HZ LYS 69 -16.077 -3.070 7.441 530 2HZ LYS 69 2HZ LYS 69 -16.943 -2.823 8.821 531 3HZ LYS 69 3HZ LYS 69 -17.313 -4.080 7.827 532 H GLU 70 H GLU 70 -17.765 -1.235 3.322 533 HA GLU 70 HA GLU 70 -17.246 -0.556 0.599 534 1HB GLU 70 2HB GLU 70 -19.188 -2.433 1.992 535 2HB GLU 70 3HB GLU 70 -19.152 -2.263 0.237 536 1HG GLU 70 2HG GLU 70 -16.549 -2.868 1.660 537 2HG GLU 70 3HG GLU 70 -17.738 -4.152 1.379 538 H ALA 71 H ALA 71 -17.792 1.698 0.826 539 HA ALA 71 HA ALA 71 -18.941 3.383 -0.169 540 1HB ALA 71 1HB ALA 71 -21.071 3.183 -1.208 541 2HB ALA 71 2HB ALA 71 -20.179 1.697 -1.591 542 3HB ALA 71 3HB ALA 71 -21.456 1.688 -0.350 Start of MODEL 10 1 1H MET 1 H1 MET 1 -16.724 -9.471 -10.219 2 2H MET 1 H2 MET 1 -17.907 -8.876 -11.240 3 3H MET 1 H3 MET 1 -16.692 -9.866 -11.799 4 HA MET 1 HA MET 1 -16.019 -7.756 -12.428 5 1HB MET 1 2HB MET 1 -17.657 -6.725 -10.684 6 2HB MET 1 3HB MET 1 -16.320 -6.845 -9.533 7 1HG MET 1 2HG MET 1 -14.962 -5.374 -11.034 8 2HG MET 1 3HG MET 1 -16.314 -5.339 -12.186 9 1HE MET 1 1HE MET 1 -15.013 -2.688 -11.353 10 2HE MET 1 2HE MET 1 -16.494 -2.761 -12.340 11 3HE MET 1 3HE MET 1 -16.423 -1.692 -10.922 12 H ALA 2 H ALA 2 -13.675 -6.984 -11.944 13 HA ALA 2 HA ALA 2 -12.109 -9.229 -11.023 14 1HB ALA 2 1HB ALA 2 -11.290 -6.367 -11.691 15 2HB ALA 2 2HB ALA 2 -10.195 -7.751 -11.495 16 3HB ALA 2 3HB ALA 2 -11.355 -7.728 -12.838 17 H GLU 3 H GLU 3 -10.599 -9.228 -9.215 18 HA GLU 3 HA GLU 3 -11.709 -8.073 -6.834 19 1HB GLU 3 2HB GLU 3 -10.481 -10.313 -7.007 20 2HB GLU 3 3HB GLU 3 -8.986 -9.383 -7.165 21 1HG GLU 3 2HG GLU 3 -9.078 -9.910 -4.892 22 2HG GLU 3 3HG GLU 3 -9.704 -8.259 -4.901 23 H LYS 4 H LYS 4 -11.584 -5.952 -6.531 24 HA LYS 4 HA LYS 4 -8.959 -4.617 -6.583 25 1HB LYS 4 2HB LYS 4 -9.973 -2.575 -7.517 26 2HB LYS 4 3HB LYS 4 -9.886 -3.889 -8.679 27 1HG LYS 4 2HG LYS 4 -12.168 -4.384 -8.589 28 2HG LYS 4 3HG LYS 4 -12.498 -3.403 -7.175 29 1HD LYS 4 2HD LYS 4 -11.434 -2.120 -9.722 30 2HD LYS 4 3HD LYS 4 -13.131 -2.571 -9.578 31 1HE LYS 4 2HE LYS 4 -12.833 -0.216 -8.985 32 2HE LYS 4 3HE LYS 4 -13.482 -1.163 -7.640 33 1HZ LYS 4 1HZ LYS 4 -11.309 -1.206 -6.674 34 2HZ LYS 4 2HZ LYS 4 -10.660 -0.373 -7.937 35 3HZ LYS 4 3HZ LYS 4 -11.756 0.354 -6.945 36 H THR 5 H THR 5 -8.636 -3.323 -4.780 37 HA THR 5 HA THR 5 -10.961 -2.351 -3.296 38 HB THR 5 HB THR 5 -8.959 -4.262 -1.976 39 HG1 THR 5 1HG THR 5 -11.372 -4.368 -3.128 40 1HG2 THR 5 1HG2 THR 5 -9.676 -2.509 -0.327 41 2HG2 THR 5 2HG2 THR 5 -11.366 -2.741 -0.822 42 3HG2 THR 5 3HG2 THR 5 -10.495 -4.040 0.004 43 H VAL 6 H VAL 6 -10.388 -0.708 -1.818 44 HA VAL 6 HA VAL 6 -7.644 -0.005 -1.898 45 HB VAL 6 HB VAL 6 -8.536 1.274 -3.674 46 1HG1 VAL 6 1HG1 VAL 6 -10.888 1.040 -3.396 47 2HG1 VAL 6 2HG1 VAL 6 -10.878 2.129 -1.982 48 3HG1 VAL 6 3HG1 VAL 6 -10.468 2.737 -3.608 49 1HG2 VAL 6 1HG2 VAL 6 -7.152 2.710 -2.129 50 2HG2 VAL 6 2HG2 VAL 6 -8.352 3.630 -3.037 51 3HG2 VAL 6 3HG2 VAL 6 -8.650 3.231 -1.329 52 H TYR 7 H TYR 7 -6.855 1.087 -0.122 53 HA TYR 7 HA TYR 7 -8.628 0.900 2.283 54 1HB TYR 7 2HB TYR 7 -5.739 -0.006 2.074 55 2HB TYR 7 3HB TYR 7 -6.868 -0.264 3.401 56 HD1 TYR 7 HD1 TYR 7 -6.119 -1.206 -0.156 57 HD2 TYR 7 HD2 TYR 7 -7.962 -2.329 3.567 58 HE1 TYR 7 HE1 TYR 7 -6.588 -3.448 -1.067 59 HE2 TYR 7 HE2 TYR 7 -8.403 -4.593 2.661 60 HH TYR 7 HH TYR 7 -7.625 -5.507 -0.686 61 H ARG 8 H ARG 8 -8.226 2.539 3.851 62 HA ARG 8 HA ARG 8 -6.826 4.856 2.740 63 1HB ARG 8 2HB ARG 8 -9.195 4.777 3.934 64 2HB ARG 8 3HB ARG 8 -8.232 4.794 5.427 65 1HG ARG 8 2HG ARG 8 -6.963 6.774 4.389 66 2HG ARG 8 3HG ARG 8 -8.177 6.734 3.097 67 1HD ARG 8 2HD ARG 8 -9.956 7.161 4.848 68 2HD ARG 8 3HD ARG 8 -8.680 7.207 6.069 69 HE ARG 8 HE ARG 8 -7.973 9.260 5.382 70 1HH1 ARG 8 2HH2 ARG 8 -10.219 7.956 2.922 71 2HH1 ARG 8 1HH2 ARG 8 -10.309 9.446 2.035 72 1HH2 ARG 8 2HH1 ARG 8 -7.845 11.100 4.012 73 2HH2 ARG 8 1HH1 ARG 8 -8.824 11.226 2.585 74 H VAL 9 H VAL 9 -4.905 5.706 3.588 75 HA VAL 9 HA VAL 9 -3.651 4.275 5.884 76 HB VAL 9 HB VAL 9 -2.388 3.441 4.143 77 1HG1 VAL 9 1HG1 VAL 9 -3.304 4.542 2.223 78 2HG1 VAL 9 2HG1 VAL 9 -2.574 6.101 2.686 79 3HG1 VAL 9 3HG1 VAL 9 -1.563 4.733 2.178 80 1HG2 VAL 9 1HG2 VAL 9 -0.878 6.011 4.612 81 2HG2 VAL 9 2HG2 VAL 9 -1.011 4.714 5.843 82 3HG2 VAL 9 3HG2 VAL 9 -0.242 4.389 4.317 83 H ASP 10 H ASP 10 -2.483 5.491 7.290 84 HA ASP 10 HA ASP 10 -2.004 8.341 6.771 85 1HB ASP 10 2HB ASP 10 -3.752 7.188 8.973 86 2HB ASP 10 3HB ASP 10 -2.670 8.518 9.372 87 H GLY 11 H GLY 11 -0.101 8.983 7.857 88 1HA GLY 11 1HA GLY 11 1.118 8.410 10.038 89 2HA GLY 11 2HA GLY 11 1.510 6.877 9.248 90 H LEU 12 H LEU 12 2.441 7.130 6.995 91 HA LEU 12 HA LEU 12 4.881 8.569 7.148 92 1HB LEU 12 2HB LEU 12 5.371 7.633 5.015 93 2HB LEU 12 3HB LEU 12 4.587 6.437 5.996 94 HG LEU 12 HG LEU 12 3.537 6.018 4.049 95 1HD1 LEU 12 1HD1 LEU 12 1.606 6.484 5.333 96 2HD1 LEU 12 2HD1 LEU 12 1.643 8.208 4.907 97 3HD1 LEU 12 3HD1 LEU 12 1.357 7.007 3.673 98 1HD2 LEU 12 1HD2 LEU 12 4.491 7.316 2.432 99 2HD2 LEU 12 2HD2 LEU 12 2.948 8.190 2.490 100 3HD2 LEU 12 3HD2 LEU 12 4.335 8.815 3.347 101 H SER 13 H SER 13 5.704 10.097 5.431 102 HA SER 13 HA SER 13 3.758 11.599 3.876 103 1HB SER 13 2HB SER 13 4.149 13.772 4.961 104 2HB SER 13 3HB SER 13 3.379 12.647 6.088 105 HG SER 13 HG SER 13 6.156 13.213 5.907 106 H CYS 14 H CYS 14 5.559 10.321 2.566 107 HA CYS 14 HA CYS 14 7.292 12.408 1.572 108 1HB CYS 14 2HB CYS 14 8.669 11.431 3.479 109 2HB CYS 14 3HB CYS 14 8.683 9.890 2.595 110 HG CYS 14 HG CYS 14 9.654 10.916 0.376 111 H THR 15 H THR 15 7.634 12.117 -0.615 112 HA THR 15 HA THR 15 6.178 10.234 -2.118 113 HB THR 15 HB THR 15 7.883 11.010 -3.910 114 HG1 THR 15 1HG THR 15 9.226 12.701 -3.188 115 1HG2 THR 15 1HG2 THR 15 5.690 12.116 -3.586 116 2HG2 THR 15 2HG2 THR 15 6.374 13.135 -2.303 117 3HG2 THR 15 3HG2 THR 15 6.946 13.303 -3.975 118 H ASN 16 H ASN 16 9.655 10.356 -1.383 119 HA ASN 16 HA ASN 16 10.626 8.001 -2.282 120 1HB ASN 16 2HB ASN 16 11.107 9.001 0.558 121 2HB ASN 16 3HB ASN 16 12.141 7.884 -0.340 122 1HD2 ASN 16 1HD2 ASN 16 12.993 10.428 0.781 123 2HD2 ASN 16 2HD2 ASN 16 13.482 11.415 -0.584 124 H CYS 17 H CYS 17 8.736 8.209 0.805 125 HA CYS 17 HA CYS 17 8.885 5.374 1.331 126 1HB CYS 17 2HB CYS 17 7.143 7.611 2.430 127 2HB CYS 17 3HB CYS 17 6.817 5.904 2.780 128 HG CYS 17 HG CYS 17 8.064 6.667 4.831 129 H ALA 18 H ALA 18 6.443 7.490 -0.239 130 HA ALA 18 HA ALA 18 4.526 5.478 -0.751 131 1HB ALA 18 1HB ALA 18 4.193 7.944 -1.106 132 2HB ALA 18 2HB ALA 18 5.186 7.842 -2.571 133 3HB ALA 18 3HB ALA 18 3.665 6.953 -2.485 134 H ALA 19 H ALA 19 7.327 6.483 -2.672 135 HA ALA 19 HA ALA 19 6.938 4.770 -4.904 136 1HB ALA 19 1HB ALA 19 9.527 5.921 -3.787 137 2HB ALA 19 2HB ALA 19 9.294 5.230 -5.405 138 3HB ALA 19 3HB ALA 19 8.432 6.710 -4.941 139 H LYS 20 H LYS 20 8.927 4.387 -1.920 140 HA LYS 20 HA LYS 20 9.871 1.784 -2.450 141 1HB LYS 20 2HB LYS 20 10.254 3.514 -0.373 142 2HB LYS 20 3HB LYS 20 9.058 2.459 0.375 143 1HG LYS 20 2HG LYS 20 11.054 1.384 0.937 144 2HG LYS 20 3HG LYS 20 10.590 0.510 -0.530 145 1HD LYS 20 2HD LYS 20 11.998 2.438 -1.741 146 2HD LYS 20 3HD LYS 20 12.681 2.681 -0.125 147 1HE LYS 20 2HE LYS 20 13.364 0.248 -0.102 148 2HE LYS 20 3HE LYS 20 12.694 0.072 -1.734 149 1HZ LYS 20 1HZ LYS 20 15.035 0.415 -1.829 150 2HZ LYS 20 2HZ LYS 20 14.291 1.727 -2.480 151 3HZ LYS 20 3HZ LYS 20 14.944 1.815 -0.972 152 H PHE 21 H PHE 21 6.893 2.859 -0.828 153 HA PHE 21 HA PHE 21 5.820 0.359 -0.207 154 1HB PHE 21 2HB PHE 21 4.825 3.128 -0.360 155 2HB PHE 21 3HB PHE 21 3.622 1.983 -0.870 156 HD1 PHE 21 1HD PHE 21 4.407 3.787 1.827 157 HD2 PHE 21 2HD PHE 21 3.717 -0.327 0.714 158 HE1 PHE 21 1HE PHE 21 3.446 3.355 4.028 159 HE2 PHE 21 2HE PHE 21 2.788 -0.775 2.963 160 HZ PHE 21 HZ PHE 21 2.520 1.083 4.575 161 H GLU 22 H GLU 22 4.997 2.355 -3.188 162 HA GLU 22 HA GLU 22 3.272 0.327 -4.168 163 1HB GLU 22 2HB GLU 22 3.318 1.347 -6.305 164 2HB GLU 22 3HB GLU 22 3.306 2.626 -5.098 165 1HG GLU 22 2HG GLU 22 5.726 2.969 -5.432 166 2HG GLU 22 3HG GLU 22 5.689 1.724 -6.704 167 H ARG 23 H ARG 23 6.745 0.825 -4.644 168 HA ARG 23 HA ARG 23 7.125 -1.296 -6.472 169 1HB ARG 23 2HB ARG 23 8.696 0.605 -5.673 170 2HB ARG 23 3HB ARG 23 9.227 -0.514 -4.406 171 1HG ARG 23 2HG ARG 23 9.991 -2.109 -6.125 172 2HG ARG 23 3HG ARG 23 9.215 -1.137 -7.398 173 1HD ARG 23 2HD ARG 23 10.671 0.808 -6.668 174 2HD ARG 23 3HD ARG 23 11.620 -0.362 -5.712 175 HE ARG 23 HE ARG 23 11.572 -1.538 -8.157 176 1HH1 ARG 23 2HH2 ARG 23 12.479 1.704 -7.109 177 2HH1 ARG 23 1HH2 ARG 23 13.453 2.073 -8.497 178 1HH2 ARG 23 2HH1 ARG 23 12.849 -1.079 -10.045 179 2HH2 ARG 23 1HH1 ARG 23 13.690 0.429 -10.191 180 H ASN 24 H ASN 24 7.355 -1.327 -2.855 181 HA ASN 24 HA ASN 24 7.808 -4.079 -2.457 182 1HB ASN 24 2HB ASN 24 6.133 -2.079 -0.866 183 2HB ASN 24 3HB ASN 24 6.199 -3.781 -0.458 184 1HD2 ASN 24 1HD2 ASN 24 6.870 -2.435 1.553 185 2HD2 ASN 24 2HD2 ASN 24 8.592 -2.503 1.820 186 H VAL 25 H VAL 25 4.641 -2.409 -2.961 187 HA VAL 25 HA VAL 25 3.111 -4.836 -2.868 188 HB VAL 25 HB VAL 25 2.420 -2.231 -4.310 189 1HG1 VAL 25 1HG1 VAL 25 0.740 -4.605 -3.396 190 2HG1 VAL 25 2HG1 VAL 25 0.066 -3.030 -3.846 191 3HG1 VAL 25 3HG1 VAL 25 0.954 -3.972 -5.046 192 1HG2 VAL 25 1HG2 VAL 25 2.788 -1.681 -1.988 193 2HG2 VAL 25 2HG2 VAL 25 1.054 -1.871 -2.164 194 3HG2 VAL 25 3HG2 VAL 25 2.034 -3.177 -1.455 195 H LYS 26 H LYS 26 4.530 -3.119 -5.646 196 HA LYS 26 HA LYS 26 3.670 -4.881 -7.698 197 1HB LYS 26 2HB LYS 26 5.857 -2.860 -7.314 198 2HB LYS 26 3HB LYS 26 5.980 -3.918 -8.706 199 1HG LYS 26 2HG LYS 26 4.194 -3.019 -9.760 200 2HG LYS 26 3HG LYS 26 3.294 -2.701 -8.262 201 1HD LYS 26 2HD LYS 26 4.534 -0.711 -7.797 202 2HD LYS 26 3HD LYS 26 5.672 -1.023 -9.120 203 1HE LYS 26 2HE LYS 26 3.752 -0.840 -10.744 204 2HE LYS 26 3HE LYS 26 2.657 -0.494 -9.394 205 1HZ LYS 26 1HZ LYS 26 3.906 1.559 -8.991 206 2HZ LYS 26 2HZ LYS 26 4.940 1.205 -10.189 207 3HZ LYS 26 3HZ LYS 26 3.362 1.505 -10.513 208 H GLU 27 H GLU 27 6.496 -5.173 -5.481 209 HA GLU 27 HA GLU 27 7.545 -7.496 -6.786 210 1HB GLU 27 2HB GLU 27 7.819 -6.499 -3.926 211 2HB GLU 27 3HB GLU 27 8.670 -7.902 -4.569 212 1HG GLU 27 2HG GLU 27 9.783 -6.562 -6.264 213 2HG GLU 27 3HG GLU 27 8.875 -5.120 -5.796 214 H ILE 28 H ILE 28 4.594 -7.212 -4.913 215 HA ILE 28 HA ILE 28 4.679 -9.962 -3.929 216 HB ILE 28 HB ILE 28 2.334 -8.147 -4.227 217 1HG1 ILE 28 2HG1 ILE 28 4.037 -8.510 -1.716 218 2HG1 ILE 28 3HG1 ILE 28 4.116 -7.108 -2.784 219 1HG2 ILE 28 1HG2 ILE 28 2.689 -10.469 -2.297 220 2HG2 ILE 28 2HG2 ILE 28 1.210 -9.532 -2.603 221 3HG2 ILE 28 3HG2 ILE 28 1.835 -10.602 -3.845 222 1HD1 ILE 28 1HD1 ILE 28 1.700 -6.647 -2.374 223 2HD1 ILE 28 2HD1 ILE 28 1.696 -7.937 -1.165 224 3HD1 ILE 28 3HD1 ILE 28 2.723 -6.518 -0.926 225 H GLU 29 H GLU 29 4.472 -11.584 -5.270 226 HA GLU 29 HA GLU 29 3.195 -11.533 -7.890 227 1HB GLU 29 2HB GLU 29 4.732 -13.491 -6.140 228 2HB GLU 29 3HB GLU 29 3.815 -14.099 -7.495 229 1HG GLU 29 2HG GLU 29 5.772 -11.837 -7.956 230 2HG GLU 29 3HG GLU 29 6.322 -13.519 -7.865 231 H GLY 30 H GLY 30 1.388 -10.719 -6.609 232 1HA GLY 30 1HA GLY 30 -0.752 -12.767 -6.408 233 2HA GLY 30 2HA GLY 30 -0.438 -11.837 -4.933 234 H VAL 31 H VAL 31 0.190 -9.268 -6.326 235 HA VAL 31 HA VAL 31 -2.550 -8.450 -6.949 236 HB VAL 31 HB VAL 31 -1.077 -7.285 -5.310 237 1HG1 VAL 31 1HG1 VAL 31 0.690 -5.797 -6.155 238 2HG1 VAL 31 2HG1 VAL 31 1.099 -7.490 -6.367 239 3HG1 VAL 31 3HG1 VAL 31 0.568 -6.525 -7.761 240 1HG2 VAL 31 1HG2 VAL 31 -2.938 -6.177 -6.556 241 2HG2 VAL 31 2HG2 VAL 31 -1.696 -5.107 -5.876 242 3HG2 VAL 31 3HG2 VAL 31 -1.701 -5.442 -7.615 243 H THR 32 H THR 32 -2.641 -6.831 -8.861 244 HA THR 32 HA THR 32 -0.879 -7.629 -11.134 245 HB THR 32 HB THR 32 -3.849 -6.953 -11.262 246 HG1 THR 32 1HG THR 32 -2.377 -9.324 -11.136 247 1HG2 THR 32 1HG2 THR 32 -3.615 -7.685 -13.623 248 2HG2 THR 32 2HG2 THR 32 -2.686 -6.218 -13.278 249 3HG2 THR 32 3HG2 THR 32 -1.853 -7.782 -13.412 250 H GLU 33 H GLU 33 -3.248 -5.124 -10.021 251 HA GLU 33 HA GLU 33 -1.115 -3.082 -10.719 252 1HB GLU 33 2HB GLU 33 -4.097 -2.846 -11.278 253 2HB GLU 33 3HB GLU 33 -2.931 -1.522 -11.304 254 1HG GLU 33 2HG GLU 33 -1.716 -3.468 -12.936 255 2HG GLU 33 3HG GLU 33 -3.435 -3.587 -13.337 256 H ALA 34 H ALA 34 -0.630 -1.680 -9.102 257 HA ALA 34 HA ALA 34 -2.632 -1.351 -6.922 258 1HB ALA 34 1HB ALA 34 0.382 -1.650 -6.580 259 2HB ALA 34 2HB ALA 34 -0.779 -1.208 -5.306 260 3HB ALA 34 3HB ALA 34 -0.868 -2.809 -6.072 261 H ILE 35 H ILE 35 -3.139 0.771 -6.618 262 HA ILE 35 HA ILE 35 -1.372 2.805 -7.938 263 HB ILE 35 HB ILE 35 -4.392 3.052 -7.623 264 1HG1 ILE 35 2HG1 ILE 35 -4.141 2.882 -10.246 265 2HG1 ILE 35 3HG1 ILE 35 -2.747 1.867 -9.861 266 1HG2 ILE 35 1HG2 ILE 35 -3.034 5.130 -7.708 267 2HG2 ILE 35 2HG2 ILE 35 -2.325 4.587 -9.242 268 3HG2 ILE 35 3HG2 ILE 35 -4.062 4.935 -9.132 269 1HD1 ILE 35 1HD1 ILE 35 -5.635 1.442 -8.941 270 2HD1 ILE 35 2HD1 ILE 35 -4.832 0.578 -10.262 271 3HD1 ILE 35 3HD1 ILE 35 -4.296 0.328 -8.599 272 H VAL 36 H VAL 36 -0.161 3.269 -6.087 273 HA VAL 36 HA VAL 36 -1.671 3.598 -3.584 274 HB VAL 36 HB VAL 36 0.194 3.346 -2.452 275 1HG1 VAL 36 1HG1 VAL 36 1.316 1.386 -3.238 276 2HG1 VAL 36 2HG1 VAL 36 -0.336 1.322 -3.873 277 3HG1 VAL 36 3HG1 VAL 36 1.000 1.788 -4.935 278 1HG2 VAL 36 1HG2 VAL 36 1.603 5.117 -3.286 279 2HG2 VAL 36 2HG2 VAL 36 2.537 3.625 -3.361 280 3HG2 VAL 36 3HG2 VAL 36 1.815 4.295 -4.845 281 H ASN 37 H ASN 37 -2.014 5.559 -2.533 282 HA ASN 37 HA ASN 37 -0.542 7.947 -3.584 283 1HB ASN 37 2HB ASN 37 -3.452 7.860 -2.702 284 2HB ASN 37 3HB ASN 37 -2.518 9.300 -3.147 285 1HD2 ASN 37 1HD2 ASN 37 -4.280 6.507 -4.372 286 2HD2 ASN 37 2HD2 ASN 37 -4.186 6.998 -6.055 287 H PHE 38 H PHE 38 0.469 6.275 -1.687 288 HA PHE 38 HA PHE 38 -0.083 6.885 1.019 289 1HB PHE 38 2HB PHE 38 2.461 6.240 -0.487 290 2HB PHE 38 3HB PHE 38 2.457 6.460 1.248 291 HD1 PHE 38 1HD PHE 38 2.154 4.002 -1.248 292 HD2 PHE 38 2HD PHE 38 1.036 5.037 2.721 293 HE1 PHE 38 1HE PHE 38 1.322 1.675 -0.896 294 HE2 PHE 38 2HE PHE 38 0.420 2.664 3.159 295 HZ PHE 38 HZ PHE 38 0.509 1.006 1.342 296 H GLY 39 H GLY 39 -0.011 8.789 2.078 297 1HA GLY 39 1HA GLY 39 1.916 10.615 2.366 298 2HA GLY 39 2HA GLY 39 1.202 11.174 0.839 299 H ALA 40 H ALA 40 -1.423 10.861 1.024 300 HA ALA 40 HA ALA 40 -2.536 11.642 3.608 301 1HB ALA 40 1HB ALA 40 -2.344 13.714 1.373 302 2HB ALA 40 2HB ALA 40 -3.234 13.912 2.897 303 3HB ALA 40 3HB ALA 40 -1.473 13.781 2.918 304 H SER 41 H SER 41 -3.070 9.510 1.730 305 HA SER 41 HA SER 41 -5.859 10.111 0.921 306 1HB SER 41 2HB SER 41 -3.633 9.454 -1.007 307 2HB SER 41 3HB SER 41 -5.350 9.290 -1.396 308 HG SER 41 HG SER 41 -4.326 11.334 -1.992 309 H LYS 42 H LYS 42 -4.386 7.459 -0.704 310 HA LYS 42 HA LYS 42 -5.033 5.453 1.217 311 1HB LYS 42 2HB LYS 42 -6.937 4.489 -0.160 312 2HB LYS 42 3HB LYS 42 -7.338 5.888 0.809 313 1HG LYS 42 2HG LYS 42 -6.464 6.592 -1.935 314 2HG LYS 42 3HG LYS 42 -7.849 5.538 -1.917 315 1HD LYS 42 2HD LYS 42 -8.163 7.756 0.040 316 2HD LYS 42 3HD LYS 42 -7.859 8.315 -1.597 317 1HE LYS 42 2HE LYS 42 -10.245 8.154 -1.306 318 2HE LYS 42 3HE LYS 42 -9.718 6.937 -2.470 319 1HZ LYS 42 1HZ LYS 42 -10.502 6.409 0.375 320 2HZ LYS 42 2HZ LYS 42 -11.293 5.982 -0.907 321 3HZ LYS 42 3HZ LYS 42 -9.845 5.298 -0.623 322 H ILE 43 H ILE 43 -4.992 3.272 0.194 323 HA ILE 43 HA ILE 43 -3.054 3.194 -2.063 324 HB ILE 43 HB ILE 43 -1.880 2.689 -0.114 325 1HG1 ILE 43 2HG1 ILE 43 -1.559 1.123 -2.072 326 2HG1 ILE 43 3HG1 ILE 43 -0.936 0.623 -0.499 327 1HG2 ILE 43 1HG2 ILE 43 -2.471 0.843 1.450 328 2HG2 ILE 43 2HG2 ILE 43 -3.498 2.274 1.567 329 3HG2 ILE 43 3HG2 ILE 43 -4.093 0.817 0.748 330 1HD1 ILE 43 1HD1 ILE 43 -3.407 -0.528 -1.795 331 2HD1 ILE 43 2HD1 ILE 43 -1.812 -1.262 -1.573 332 3HD1 ILE 43 3HD1 ILE 43 -2.816 -0.921 -0.166 333 H THR 44 H THR 44 -3.971 2.299 -3.907 334 HA THR 44 HA THR 44 -6.248 0.437 -3.517 335 HB THR 44 HB THR 44 -5.182 1.795 -5.993 336 HG1 THR 44 1HG THR 44 -7.381 2.580 -5.781 337 1HG2 THR 44 1HG2 THR 44 -6.168 -0.349 -6.664 338 2HG2 THR 44 2HG2 THR 44 -7.576 -0.051 -5.621 339 3HG2 THR 44 3HG2 THR 44 -7.282 0.951 -7.054 340 H VAL 45 H VAL 45 -6.225 -1.531 -4.275 341 HA VAL 45 HA VAL 45 -3.802 -2.773 -5.461 342 HB VAL 45 HB VAL 45 -5.244 -3.472 -2.914 343 1HG1 VAL 45 1HG1 VAL 45 -5.678 -5.507 -4.160 344 2HG1 VAL 45 2HG1 VAL 45 -3.991 -5.568 -4.718 345 3HG1 VAL 45 3HG1 VAL 45 -4.364 -5.784 -3.003 346 1HG2 VAL 45 1HG2 VAL 45 -2.969 -2.393 -3.086 347 2HG2 VAL 45 2HG2 VAL 45 -3.006 -3.889 -2.126 348 3HG2 VAL 45 3HG2 VAL 45 -2.357 -3.897 -3.782 349 H THR 46 H THR 46 -4.336 -4.051 -7.179 350 HA THR 46 HA THR 46 -7.040 -5.133 -7.449 351 HB THR 46 HB THR 46 -5.627 -3.337 -9.496 352 HG1 THR 46 1HG THR 46 -7.330 -3.119 -7.559 353 1HG2 THR 46 1HG2 THR 46 -6.648 -5.197 -10.740 354 2HG2 THR 46 2HG2 THR 46 -8.143 -5.052 -9.792 355 3HG2 THR 46 3HG2 THR 46 -7.660 -3.753 -10.905 356 H GLY 47 H GLY 47 -6.967 -7.098 -8.195 357 1HA GLY 47 1HA GLY 47 -5.443 -8.224 -10.089 358 2HA GLY 47 2HA GLY 47 -4.276 -8.216 -8.786 359 H GLU 48 H GLU 48 -4.465 -9.497 -7.004 360 HA GLU 48 HA GLU 48 -6.885 -10.773 -6.158 361 1HB GLU 48 2HB GLU 48 -6.096 -12.188 -8.142 362 2HB GLU 48 3HB GLU 48 -4.707 -12.664 -7.168 363 1HG GLU 48 2HG GLU 48 -6.001 -14.064 -5.858 364 2HG GLU 48 3HG GLU 48 -7.403 -12.985 -5.877 365 H ALA 49 H ALA 49 -5.400 -8.955 -4.824 366 HA ALA 49 HA ALA 49 -4.343 -10.518 -2.559 367 1HB ALA 49 1HB ALA 49 -2.327 -9.994 -3.858 368 2HB ALA 49 2HB ALA 49 -2.807 -8.284 -3.957 369 3HB ALA 49 3HB ALA 49 -2.361 -8.994 -2.396 370 H SER 50 H SER 50 -3.867 -8.891 -0.703 371 HA SER 50 HA SER 50 -5.808 -6.665 -0.634 372 1HB SER 50 2HB SER 50 -5.597 -9.058 1.244 373 2HB SER 50 3HB SER 50 -6.404 -7.564 1.728 374 HG SER 50 HG SER 50 -7.827 -7.829 -0.048 375 H ILE 51 H ILE 51 -5.551 -5.395 1.431 376 HA ILE 51 HA ILE 51 -3.015 -4.341 1.566 377 HB ILE 51 HB ILE 51 -5.127 -3.297 2.425 378 1HG1 ILE 51 2HG1 ILE 51 -3.089 -2.108 2.561 379 2HG1 ILE 51 3HG1 ILE 51 -4.213 -1.803 3.880 380 1HG2 ILE 51 1HG2 ILE 51 -4.429 -4.713 5.033 381 2HG2 ILE 51 2HG2 ILE 51 -5.675 -3.483 4.794 382 3HG2 ILE 51 3HG2 ILE 51 -5.840 -5.068 4.010 383 1HD1 ILE 51 1HD1 ILE 51 -2.765 -3.422 5.301 384 2HD1 ILE 51 2HD1 ILE 51 -1.570 -3.232 3.988 385 3HD1 ILE 51 3HD1 ILE 51 -2.068 -1.873 4.924 386 H GLN 52 H GLN 52 -4.279 -7.026 3.603 387 HA GLN 52 HA GLN 52 -2.581 -7.219 5.655 388 1HB GLN 52 2HB GLN 52 -3.209 -9.526 3.766 389 2HB GLN 52 3HB GLN 52 -2.597 -9.671 5.410 390 1HG GLN 52 2HG GLN 52 -4.709 -9.778 6.107 391 2HG GLN 52 3HG GLN 52 -4.790 -8.038 5.828 392 1HE2 GLN 52 1HE2 GLN 52 -6.944 -7.824 5.082 393 2HE2 GLN 52 2HE2 GLN 52 -7.564 -8.732 3.714 394 H GLN 53 H GLN 53 -1.562 -8.219 2.377 395 HA GLN 53 HA GLN 53 1.149 -8.908 3.244 396 1HB GLN 53 2HB GLN 53 0.014 -8.395 0.490 397 2HB GLN 53 3HB GLN 53 1.663 -8.971 0.846 398 1HG GLN 53 2HG GLN 53 0.775 -10.941 2.019 399 2HG GLN 53 3HG GLN 53 -0.887 -10.432 1.671 400 1HE2 GLN 53 1HE2 GLN 53 -1.255 -9.918 -0.786 401 2HE2 GLN 53 2HE2 GLN 53 -0.586 -11.125 -1.874 402 H VAL 54 H VAL 54 -0.352 -6.038 1.803 403 HA VAL 54 HA VAL 54 2.027 -4.490 1.396 404 HB VAL 54 HB VAL 54 -0.822 -3.478 1.807 405 1HG1 VAL 54 1HG1 VAL 54 0.711 -1.683 1.994 406 2HG1 VAL 54 2HG1 VAL 54 1.650 -2.227 0.595 407 3HG1 VAL 54 3HG1 VAL 54 -0.002 -1.605 0.384 408 1HG2 VAL 54 1HG2 VAL 54 0.555 -4.582 -0.659 409 2HG2 VAL 54 2HG2 VAL 54 -0.997 -5.059 0.037 410 3HG2 VAL 54 3HG2 VAL 54 -0.839 -3.482 -0.737 411 H GLU 55 H GLU 55 -0.142 -5.122 4.116 412 HA GLU 55 HA GLU 55 0.513 -3.047 5.850 413 1HB GLU 55 2HB GLU 55 -1.311 -4.934 5.983 414 2HB GLU 55 3HB GLU 55 -0.096 -5.832 6.882 415 1HG GLU 55 2HG GLU 55 -1.083 -3.039 7.585 416 2HG GLU 55 3HG GLU 55 -1.616 -4.547 8.341 417 H GLN 56 H GLN 56 1.655 -6.431 5.687 418 HA GLN 56 HA GLN 56 3.770 -6.293 7.484 419 1HB GLN 56 2HB GLN 56 2.754 -8.334 6.512 420 2HB GLN 56 3HB GLN 56 3.607 -8.054 4.990 421 1HG GLN 56 2HG GLN 56 5.309 -8.045 7.465 422 2HG GLN 56 3HG GLN 56 4.520 -9.576 7.099 423 1HE2 GLN 56 1HE2 GLN 56 5.322 -10.874 5.436 424 2HE2 GLN 56 2HE2 GLN 56 6.676 -10.383 4.431 425 H ALA 57 H ALA 57 3.873 -5.692 3.908 426 HA ALA 57 HA ALA 57 6.572 -4.920 3.732 427 1HB ALA 57 1HB ALA 57 4.159 -4.661 2.127 428 2HB ALA 57 2HB ALA 57 5.093 -3.169 2.049 429 3HB ALA 57 3HB ALA 57 5.849 -4.727 1.631 430 H GLY 58 H GLY 58 3.719 -2.883 4.665 431 1HA GLY 58 1HA GLY 58 5.128 -0.437 4.929 432 2HA GLY 58 2HA GLY 58 3.539 -0.879 5.593 433 H ALA 59 H ALA 59 5.187 -3.315 6.935 434 HA ALA 59 HA ALA 59 5.584 -2.238 9.471 435 1HB ALA 59 1HB ALA 59 5.564 -4.669 8.954 436 2HB ALA 59 2HB ALA 59 7.202 -4.502 8.257 437 3HB ALA 59 3HB ALA 59 6.928 -4.176 9.974 438 H PHE 60 H PHE 60 7.629 -1.859 6.587 439 HA PHE 60 HA PHE 60 10.024 -1.119 7.851 440 1HB PHE 60 2HB PHE 60 10.653 0.044 5.927 441 2HB PHE 60 3HB PHE 60 9.771 -1.385 5.421 442 HD1 PHE 60 1HD PHE 60 9.549 2.330 5.859 443 HD2 PHE 60 2HD PHE 60 8.158 -1.099 3.689 444 HE1 PHE 60 1HE PHE 60 8.119 3.799 4.471 445 HE2 PHE 60 2HE PHE 60 6.758 0.363 2.262 446 HZ PHE 60 HZ PHE 60 6.768 2.820 2.624 447 H GLU 61 H GLU 61 7.003 0.734 7.672 448 HA GLU 61 HA GLU 61 8.199 2.705 9.560 449 1HB GLU 61 2HB GLU 61 8.402 3.557 7.304 450 2HB GLU 61 3HB GLU 61 6.665 3.413 7.016 451 1HG GLU 61 2HG GLU 61 6.256 5.271 8.498 452 2HG GLU 61 3HG GLU 61 7.890 5.169 9.184 453 H HIS 62 H HIS 62 5.946 0.398 9.315 454 HA HIS 62 HA HIS 62 4.238 -0.181 10.688 455 1HB HIS 62 2HB HIS 62 5.278 2.097 12.427 456 2HB HIS 62 3HB HIS 62 4.175 0.821 12.938 457 HD1 HIS 62 1HD HIS 62 6.213 -1.362 11.197 458 HD2 HIS 62 2HD HIS 62 6.946 1.216 14.435 459 HE1 HIS 62 1HE HIS 62 8.128 -2.383 12.507 460 H LEU 63 H LEU 63 2.977 0.770 8.724 461 HA LEU 63 HA LEU 63 1.592 3.281 9.340 462 1HB LEU 63 2HB LEU 63 1.269 1.296 7.061 463 2HB LEU 63 3HB LEU 63 0.359 2.802 7.211 464 HG LEU 63 HG LEU 63 2.051 3.222 5.732 465 1HD1 LEU 63 1HD1 LEU 63 1.504 4.989 7.429 466 2HD1 LEU 63 2HD1 LEU 63 3.018 4.561 8.277 467 3HD1 LEU 63 3HD1 LEU 63 3.065 5.126 6.611 468 1HD2 LEU 63 1HD2 LEU 63 4.232 2.557 7.746 469 2HD2 LEU 63 2HD2 LEU 63 3.695 1.427 6.493 470 3HD2 LEU 63 3HD2 LEU 63 4.423 2.985 6.059 471 H LYS 64 H LYS 64 -1.075 2.825 8.579 472 HA LYS 64 HA LYS 64 -2.162 0.739 10.307 473 1HB LYS 64 2HB LYS 64 -3.520 2.398 11.610 474 2HB LYS 64 3HB LYS 64 -1.861 2.208 12.121 475 1HG LYS 64 2HG LYS 64 -2.790 4.440 10.266 476 2HG LYS 64 3HG LYS 64 -2.861 4.565 12.012 477 1HD LYS 64 2HD LYS 64 -0.270 4.286 10.383 478 2HD LYS 64 3HD LYS 64 -0.996 5.675 11.044 479 1HE LYS 64 2HE LYS 64 0.579 5.210 12.696 480 2HE LYS 64 3HE LYS 64 -0.856 4.437 13.376 481 1HZ LYS 64 1HZ LYS 64 1.479 3.182 12.064 482 2HZ LYS 64 2HZ LYS 64 0.890 2.904 13.557 483 3HZ LYS 64 3HZ LYS 64 0.115 2.334 12.213 484 H ILE 65 H ILE 65 -2.378 0.549 7.938 485 HA ILE 65 HA ILE 65 -4.300 2.195 6.627 486 HB ILE 65 HB ILE 65 -3.616 -0.543 5.629 487 1HG1 ILE 65 2HG1 ILE 65 -1.723 1.780 5.835 488 2HG1 ILE 65 3HG1 ILE 65 -1.471 0.037 6.096 489 1HG2 ILE 65 1HG2 ILE 65 -4.043 2.074 4.141 490 2HG2 ILE 65 2HG2 ILE 65 -3.871 0.464 3.429 491 3HG2 ILE 65 3HG2 ILE 65 -5.274 0.851 4.425 492 1HD1 ILE 65 1HD1 ILE 65 -1.617 1.497 3.450 493 2HD1 ILE 65 2HD1 ILE 65 -0.236 0.662 4.177 494 3HD1 ILE 65 3HD1 ILE 65 -1.611 -0.264 3.573 495 H ILE 66 H ILE 66 -6.529 1.838 6.248 496 HA ILE 66 HA ILE 66 -7.766 -0.517 7.611 497 HB ILE 66 HB ILE 66 -8.775 2.345 7.573 498 1HG1 ILE 66 2HG1 ILE 66 -7.430 0.751 9.807 499 2HG1 ILE 66 3HG1 ILE 66 -6.762 2.157 8.965 500 1HG2 ILE 66 1HG2 ILE 66 -9.772 -0.062 9.163 501 2HG2 ILE 66 2HG2 ILE 66 -10.472 1.569 9.151 502 3HG2 ILE 66 3HG2 ILE 66 -10.571 0.580 7.709 503 1HD1 ILE 66 1HD1 ILE 66 -7.544 2.928 11.052 504 2HD1 ILE 66 2HD1 ILE 66 -8.647 3.551 9.810 505 3HD1 ILE 66 3HD1 ILE 66 -9.132 2.182 10.844 506 HA PRO 67 HA PRO 67 -9.898 -0.871 3.603 507 1HB PRO 67 2HB PRO 67 -11.824 -2.708 4.265 508 2HB PRO 67 3HB PRO 67 -10.119 -3.130 3.997 509 1HG PRO 67 2HG PRO 67 -11.500 -2.634 6.634 510 2HG PRO 67 3HG PRO 67 -10.412 -3.984 6.198 511 1HD PRO 67 2HD PRO 67 -9.543 -1.823 7.573 512 2HD PRO 67 3HD PRO 67 -8.495 -2.592 6.348 513 H GLU 68 H GLU 68 -10.438 1.363 3.944 514 HA GLU 68 HA GLU 68 -12.654 2.606 4.903 515 1HB GLU 68 2HB GLU 68 -10.718 3.150 3.022 516 2HB GLU 68 3HB GLU 68 -12.106 2.943 1.964 517 1HG GLU 68 2HG GLU 68 -13.290 4.700 3.306 518 2HG GLU 68 3HG GLU 68 -11.821 4.929 4.265 519 H LYS 69 H LYS 69 -14.823 2.089 4.876 520 HA LYS 69 HA LYS 69 -15.912 0.427 2.627 521 1HB LYS 69 2HB LYS 69 -15.976 -0.625 4.930 522 2HB LYS 69 3HB LYS 69 -17.003 0.712 5.451 523 1HG LYS 69 2HG LYS 69 -18.552 -0.939 4.939 524 2HG LYS 69 3HG LYS 69 -18.566 0.049 3.473 525 1HD LYS 69 2HD LYS 69 -16.689 -1.671 2.659 526 2HD LYS 69 3HD LYS 69 -17.322 -2.690 3.944 527 1HE LYS 69 2HE LYS 69 -18.790 -1.569 1.503 528 2HE LYS 69 3HE LYS 69 -18.385 -3.260 1.821 529 1HZ LYS 69 1HZ LYS 69 -19.922 -3.183 3.697 530 2HZ LYS 69 2HZ LYS 69 -20.317 -1.624 3.336 531 3HZ LYS 69 3HZ LYS 69 -20.676 -2.826 2.279 532 H GLU 70 H GLU 70 -16.785 3.023 4.951 533 HA GLU 70 HA GLU 70 -18.471 4.358 2.949 534 1HB GLU 70 2HB GLU 70 -19.755 2.703 4.477 535 2HB GLU 70 3HB GLU 70 -19.388 3.797 5.816 536 1HG GLU 70 2HG GLU 70 -20.701 5.563 4.756 537 2HG GLU 70 3HG GLU 70 -20.852 4.616 3.261 538 H ALA 71 H ALA 71 -18.666 6.731 3.653 539 HA ALA 71 HA ALA 71 -16.511 7.623 5.454 540 1HB ALA 71 1HB ALA 71 -15.453 7.312 3.203 541 2HB ALA 71 2HB ALA 71 -16.735 8.317 2.486 542 3HB ALA 71 3HB ALA 71 -15.595 9.028 3.646 Start of MODEL 11 1 1H MET 1 H1 MET 1 -11.779 -12.618 -6.909 2 2H MET 1 H2 MET 1 -11.206 -13.885 -7.791 3 3H MET 1 H3 MET 1 -10.773 -12.401 -8.126 4 HA MET 1 HA MET 1 -12.527 -12.932 -9.732 5 1HB MET 1 2HB MET 1 -13.607 -14.694 -8.428 6 2HB MET 1 3HB MET 1 -14.107 -13.523 -7.200 7 1HG MET 1 2HG MET 1 -16.006 -14.033 -8.493 8 2HG MET 1 3HG MET 1 -15.568 -12.403 -8.947 9 1HE MET 1 1HE MET 1 -16.341 -15.950 -10.030 10 2HE MET 1 2HE MET 1 -17.529 -14.667 -10.373 11 3HE MET 1 3HE MET 1 -16.759 -15.549 -11.711 12 H ALA 2 H ALA 2 -12.075 -10.728 -10.170 13 HA ALA 2 HA ALA 2 -12.449 -8.520 -10.299 14 1HB ALA 2 1HB ALA 2 -14.976 -8.890 -8.641 15 2HB ALA 2 2HB ALA 2 -14.575 -7.562 -9.730 16 3HB ALA 2 3HB ALA 2 -14.862 -9.183 -10.391 17 H GLU 3 H GLU 3 -10.940 -9.732 -7.988 18 HA GLU 3 HA GLU 3 -11.196 -8.031 -5.718 19 1HB GLU 3 2HB GLU 3 -9.295 -10.067 -6.760 20 2HB GLU 3 3HB GLU 3 -8.576 -8.849 -5.704 21 1HG GLU 3 2HG GLU 3 -9.364 -10.874 -4.486 22 2HG GLU 3 3HG GLU 3 -10.035 -9.350 -3.893 23 H LYS 4 H LYS 4 -11.443 -5.971 -6.413 24 HA LYS 4 HA LYS 4 -8.869 -4.542 -6.694 25 1HB LYS 4 2HB LYS 4 -10.165 -2.712 -7.862 26 2HB LYS 4 3HB LYS 4 -9.770 -4.119 -8.856 27 1HG LYS 4 2HG LYS 4 -11.977 -4.929 -8.896 28 2HG LYS 4 3HG LYS 4 -12.441 -4.074 -7.448 29 1HD LYS 4 2HD LYS 4 -13.386 -2.508 -8.630 30 2HD LYS 4 3HD LYS 4 -11.810 -1.945 -9.160 31 1HE LYS 4 2HE LYS 4 -13.503 -4.085 -10.559 32 2HE LYS 4 3HE LYS 4 -13.472 -2.376 -11.007 33 1HZ LYS 4 1HZ LYS 4 -12.008 -3.689 -12.377 34 2HZ LYS 4 2HZ LYS 4 -11.152 -2.576 -11.521 35 3HZ LYS 4 3HZ LYS 4 -11.126 -4.155 -11.065 36 H THR 5 H THR 5 -8.628 -2.973 -5.026 37 HA THR 5 HA THR 5 -11.009 -1.918 -3.734 38 HB THR 5 HB THR 5 -9.097 -3.754 -2.167 39 HG1 THR 5 1HG THR 5 -11.486 -3.915 -3.332 40 1HG2 THR 5 1HG2 THR 5 -10.665 -3.247 -0.242 41 2HG2 THR 5 2HG2 THR 5 -9.656 -1.870 -0.687 42 3HG2 THR 5 3HG2 THR 5 -11.360 -1.928 -1.196 43 H VAL 6 H VAL 6 -10.484 -0.062 -2.521 44 HA VAL 6 HA VAL 6 -7.674 0.370 -2.242 45 HB VAL 6 HB VAL 6 -8.231 1.896 -3.910 46 1HG1 VAL 6 1HG1 VAL 6 -10.072 3.464 -3.965 47 2HG1 VAL 6 2HG1 VAL 6 -10.579 1.781 -4.029 48 3HG1 VAL 6 3HG1 VAL 6 -10.761 2.700 -2.506 49 1HG2 VAL 6 1HG2 VAL 6 -8.597 3.632 -1.417 50 2HG2 VAL 6 2HG2 VAL 6 -7.025 3.061 -1.999 51 3HG2 VAL 6 3HG2 VAL 6 -7.984 4.160 -2.995 52 H TYR 7 H TYR 7 -6.924 1.234 -0.392 53 HA TYR 7 HA TYR 7 -8.797 1.153 1.950 54 1HB TYR 7 2HB TYR 7 -5.899 0.235 1.817 55 2HB TYR 7 3HB TYR 7 -7.013 0.089 3.173 56 HD1 TYR 7 HD1 TYR 7 -8.108 -1.930 3.540 57 HD2 TYR 7 HD2 TYR 7 -6.313 -1.187 -0.300 58 HE1 TYR 7 HE1 TYR 7 -8.645 -4.243 2.846 59 HE2 TYR 7 HE2 TYR 7 -6.787 -3.528 -0.963 60 HH TYR 7 HH TYR 7 -8.795 -5.686 0.982 61 H ARG 8 H ARG 8 -8.070 2.677 3.710 62 HA ARG 8 HA ARG 8 -6.466 4.921 2.559 63 1HB ARG 8 2HB ARG 8 -8.208 4.820 5.048 64 2HB ARG 8 3HB ARG 8 -7.162 6.171 4.578 65 1HG ARG 8 2HG ARG 8 -8.458 6.133 2.301 66 2HG ARG 8 3HG ARG 8 -9.615 5.150 3.198 67 1HD ARG 8 2HD ARG 8 -9.525 7.032 4.994 68 2HD ARG 8 3HD ARG 8 -8.713 8.008 3.737 69 HE ARG 8 HE ARG 8 -11.073 6.841 2.627 70 1HH1 ARG 8 2HH2 ARG 8 -10.341 9.297 5.034 71 2HH1 ARG 8 1HH2 ARG 8 -11.987 9.859 5.145 72 1HH2 ARG 8 2HH1 ARG 8 -13.060 7.374 2.780 73 2HH2 ARG 8 1HH1 ARG 8 -13.679 8.727 3.731 74 H VAL 9 H VAL 9 -4.512 5.532 3.360 75 HA VAL 9 HA VAL 9 -3.363 3.830 5.556 76 HB VAL 9 HB VAL 9 -2.277 3.171 3.606 77 1HG1 VAL 9 1HG1 VAL 9 -1.846 6.084 2.826 78 2HG1 VAL 9 2HG1 VAL 9 -1.189 4.669 1.991 79 3HG1 VAL 9 3HG1 VAL 9 -2.930 4.928 2.010 80 1HG2 VAL 9 1HG2 VAL 9 -0.479 5.312 4.805 81 2HG2 VAL 9 2HG2 VAL 9 -0.772 3.730 5.541 82 3HG2 VAL 9 3HG2 VAL 9 0.016 3.839 3.956 83 H ASP 10 H ASP 10 -2.431 4.856 7.302 84 HA ASP 10 HA ASP 10 -2.186 7.834 7.135 85 1HB ASP 10 2HB ASP 10 -4.432 7.156 7.996 86 2HB ASP 10 3HB ASP 10 -3.674 6.239 9.256 87 H GLY 11 H GLY 11 -1.168 8.642 9.211 88 1HA GLY 11 1HA GLY 11 0.397 8.505 10.932 89 2HA GLY 11 2HA GLY 11 0.774 6.828 10.521 90 H LEU 12 H LEU 12 1.444 7.046 7.843 91 HA LEU 12 HA LEU 12 4.154 7.830 7.969 92 1HB LEU 12 2HB LEU 12 4.213 7.340 5.572 93 2HB LEU 12 3HB LEU 12 3.339 6.128 6.497 94 HG LEU 12 HG LEU 12 1.144 7.212 5.742 95 1HD1 LEU 12 1HD1 LEU 12 3.078 8.657 3.832 96 2HD1 LEU 12 2HD1 LEU 12 1.356 8.432 3.499 97 3HD1 LEU 12 3HD1 LEU 12 1.835 9.429 4.850 98 1HD2 LEU 12 1HD2 LEU 12 1.954 5.174 4.783 99 2HD2 LEU 12 2HD2 LEU 12 1.379 6.192 3.466 100 3HD2 LEU 12 3HD2 LEU 12 3.125 6.061 3.802 101 H SER 13 H SER 13 5.284 9.353 6.433 102 HA SER 13 HA SER 13 3.817 11.509 5.238 103 1HB SER 13 2HB SER 13 3.764 12.166 7.723 104 2HB SER 13 3HB SER 13 5.517 12.367 7.611 105 HG SER 13 HG SER 13 4.312 14.302 7.213 106 H CYS 14 H CYS 14 5.388 10.005 3.737 107 HA CYS 14 HA CYS 14 7.423 11.951 3.003 108 1HB CYS 14 2HB CYS 14 8.742 10.564 4.578 109 2HB CYS 14 3HB CYS 14 8.253 9.106 3.692 110 HG CYS 14 HG CYS 14 9.938 11.749 2.672 111 H THR 15 H THR 15 7.659 12.006 0.798 112 HA THR 15 HA THR 15 5.854 10.424 -0.811 113 HB THR 15 HB THR 15 8.075 12.343 -1.616 114 HG1 THR 15 1HG THR 15 6.083 12.988 -0.327 115 1HG2 THR 15 1HG2 THR 15 6.788 12.510 -3.746 116 2HG2 THR 15 2HG2 THR 15 7.491 10.900 -3.525 117 3HG2 THR 15 3HG2 THR 15 5.759 11.163 -3.219 118 H ASN 16 H ASN 16 9.452 10.381 -0.348 119 HA ASN 16 HA ASN 16 9.986 8.493 -2.320 120 1HB ASN 16 2HB ASN 16 11.405 8.991 0.325 121 2HB ASN 16 3HB ASN 16 12.032 7.927 -0.939 122 1HD2 ASN 16 1HD2 ASN 16 13.115 10.557 0.169 123 2HD2 ASN 16 2HD2 ASN 16 13.334 11.524 -1.278 124 H CYS 17 H CYS 17 8.976 8.007 1.050 125 HA CYS 17 HA CYS 17 9.118 5.187 1.177 126 1HB CYS 17 2HB CYS 17 7.290 7.217 2.506 127 2HB CYS 17 3HB CYS 17 7.226 5.498 2.868 128 HG CYS 17 HG CYS 17 9.755 5.215 3.460 129 H ALA 18 H ALA 18 6.757 7.300 -0.463 130 HA ALA 18 HA ALA 18 4.699 5.350 -0.853 131 1HB ALA 18 1HB ALA 18 5.340 7.536 -2.851 132 2HB ALA 18 2HB ALA 18 3.780 6.847 -2.392 133 3HB ALA 18 3HB ALA 18 4.646 7.922 -1.269 134 H ALA 19 H ALA 19 7.699 6.212 -2.587 135 HA ALA 19 HA ALA 19 7.206 4.584 -4.917 136 1HB ALA 19 1HB ALA 19 9.546 4.903 -5.429 137 2HB ALA 19 2HB ALA 19 8.867 6.441 -4.862 138 3HB ALA 19 3HB ALA 19 9.899 5.465 -3.791 139 H LYS 20 H LYS 20 8.973 4.148 -1.859 140 HA LYS 20 HA LYS 20 9.804 1.470 -2.186 141 1HB LYS 20 2HB LYS 20 10.009 3.316 -0.193 142 2HB LYS 20 3HB LYS 20 8.786 2.271 0.528 143 1HG LYS 20 2HG LYS 20 11.509 1.401 -0.532 144 2HG LYS 20 3HG LYS 20 11.115 1.759 1.162 145 1HD LYS 20 2HD LYS 20 9.457 -0.135 1.101 146 2HD LYS 20 3HD LYS 20 9.910 -0.458 -0.570 147 1HE LYS 20 2HE LYS 20 11.029 -2.033 0.903 148 2HE LYS 20 3HE LYS 20 12.199 -1.013 0.067 149 1HZ LYS 20 1HZ LYS 20 12.689 -1.306 2.415 150 2HZ LYS 20 2HZ LYS 20 12.446 0.276 2.057 151 3HZ LYS 20 3HZ LYS 20 11.273 -0.575 2.837 152 H PHE 21 H PHE 21 6.695 2.794 -0.996 153 HA PHE 21 HA PHE 21 5.500 0.289 -0.511 154 1HB PHE 21 2HB PHE 21 4.760 2.868 -0.028 155 2HB PHE 21 3HB PHE 21 3.687 2.521 -1.369 156 HD1 PHE 21 1HD PHE 21 1.484 1.951 -0.505 157 HD2 PHE 21 2HD PHE 21 4.998 0.577 1.580 158 HE1 PHE 21 1HE PHE 21 0.098 1.207 1.424 159 HE2 PHE 21 2HE PHE 21 3.548 -0.639 3.140 160 HZ PHE 21 HZ PHE 21 1.161 -0.177 3.217 161 H GLU 22 H GLU 22 5.045 2.393 -3.451 162 HA GLU 22 HA GLU 22 3.269 0.624 -4.700 163 1HB GLU 22 2HB GLU 22 3.532 1.832 -6.681 164 2HB GLU 22 3HB GLU 22 3.910 3.031 -5.436 165 1HG GLU 22 2HG GLU 22 6.292 2.736 -5.841 166 2HG GLU 22 3HG GLU 22 5.914 1.609 -7.167 167 H ARG 23 H ARG 23 6.837 0.814 -4.888 168 HA ARG 23 HA ARG 23 7.140 -1.310 -6.736 169 1HB ARG 23 2HB ARG 23 8.851 0.490 -5.940 170 2HB ARG 23 3HB ARG 23 9.176 -0.600 -4.578 171 1HG ARG 23 2HG ARG 23 9.543 -2.422 -6.411 172 2HG ARG 23 3HG ARG 23 9.525 -1.075 -7.560 173 1HD ARG 23 2HD ARG 23 11.322 0.006 -6.021 174 2HD ARG 23 3HD ARG 23 11.493 -1.591 -5.284 175 HE ARG 23 HE ARG 23 12.451 -0.653 -7.856 176 1HH1 ARG 23 2HH2 ARG 23 11.431 -3.619 -6.146 177 2HH1 ARG 23 1HH2 ARG 23 12.209 -4.686 -7.253 178 1HH2 ARG 23 2HH1 ARG 23 13.458 -2.077 -9.349 179 2HH2 ARG 23 1HH1 ARG 23 13.391 -3.794 -9.106 180 H ASN 24 H ASN 24 7.360 -1.318 -3.112 181 HA ASN 24 HA ASN 24 7.787 -4.064 -2.703 182 1HB ASN 24 2HB ASN 24 6.212 -1.970 -1.144 183 2HB ASN 24 3HB ASN 24 6.192 -3.663 -0.676 184 1HD2 ASN 24 1HD2 ASN 24 7.025 -2.252 1.265 185 2HD2 ASN 24 2HD2 ASN 24 8.728 -2.551 1.511 186 H VAL 25 H VAL 25 4.649 -2.358 -3.206 187 HA VAL 25 HA VAL 25 3.116 -4.746 -3.017 188 HB VAL 25 HB VAL 25 2.364 -2.269 -4.617 189 1HG1 VAL 25 1HG1 VAL 25 0.871 -4.121 -5.025 190 2HG1 VAL 25 2HG1 VAL 25 0.769 -4.516 -3.307 191 3HG1 VAL 25 3HG1 VAL 25 0.043 -3.032 -3.886 192 1HG2 VAL 25 1HG2 VAL 25 2.176 -1.073 -2.739 193 2HG2 VAL 25 2HG2 VAL 25 1.114 -2.280 -2.042 194 3HG2 VAL 25 3HG2 VAL 25 2.849 -2.400 -1.768 195 H LYS 26 H LYS 26 4.431 -3.060 -5.884 196 HA LYS 26 HA LYS 26 3.619 -4.894 -7.888 197 1HB LYS 26 2HB LYS 26 5.825 -2.891 -7.522 198 2HB LYS 26 3HB LYS 26 5.994 -4.021 -8.850 199 1HG LYS 26 2HG LYS 26 4.406 -3.051 -10.072 200 2HG LYS 26 3HG LYS 26 3.307 -2.812 -8.702 201 1HD LYS 26 2HD LYS 26 4.214 -0.798 -8.060 202 2HD LYS 26 3HD LYS 26 5.723 -1.002 -8.949 203 1HE LYS 26 2HE LYS 26 2.991 -0.754 -10.311 204 2HE LYS 26 3HE LYS 26 3.943 0.663 -9.844 205 1HZ LYS 26 1HZ LYS 26 5.702 -0.048 -11.232 206 2HZ LYS 26 2HZ LYS 26 4.922 -1.441 -11.652 207 3HZ LYS 26 3HZ LYS 26 4.322 0.020 -12.120 208 H GLU 27 H GLU 27 6.349 -5.152 -5.586 209 HA GLU 27 HA GLU 27 7.449 -7.506 -6.807 210 1HB GLU 27 2HB GLU 27 7.751 -6.331 -4.025 211 2HB GLU 27 3HB GLU 27 8.661 -7.715 -4.609 212 1HG GLU 27 2HG GLU 27 9.784 -6.455 -6.278 213 2HG GLU 27 3HG GLU 27 8.685 -5.084 -6.133 214 H ILE 28 H ILE 28 4.468 -7.223 -5.045 215 HA ILE 28 HA ILE 28 4.617 -9.904 -3.865 216 HB ILE 28 HB ILE 28 2.297 -8.067 -4.321 217 1HG1 ILE 28 2HG1 ILE 28 3.554 -8.545 -1.614 218 2HG1 ILE 28 3HG1 ILE 28 4.078 -7.233 -2.678 219 1HG2 ILE 28 1HG2 ILE 28 2.432 -10.814 -3.199 220 2HG2 ILE 28 2HG2 ILE 28 1.490 -9.686 -2.240 221 3HG2 ILE 28 3HG2 ILE 28 1.071 -9.918 -3.925 222 1HD1 ILE 28 1HD1 ILE 28 1.202 -7.606 -1.724 223 2HD1 ILE 28 2HD1 ILE 28 2.356 -6.373 -1.176 224 3HD1 ILE 28 3HD1 ILE 28 1.759 -6.406 -2.852 225 H GLU 29 H GLU 29 4.058 -11.739 -4.866 226 HA GLU 29 HA GLU 29 3.270 -11.848 -7.681 227 1HB GLU 29 2HB GLU 29 4.340 -13.698 -5.528 228 2HB GLU 29 3HB GLU 29 3.584 -14.397 -6.933 229 1HG GLU 29 2HG GLU 29 5.665 -12.288 -7.448 230 2HG GLU 29 3HG GLU 29 6.190 -13.881 -6.882 231 H GLY 30 H GLY 30 1.318 -11.031 -5.467 232 1HA GLY 30 1HA GLY 30 -0.865 -13.046 -5.979 233 2HA GLY 30 2HA GLY 30 -0.639 -12.186 -4.455 234 H VAL 31 H VAL 31 0.166 -9.757 -6.472 235 HA VAL 31 HA VAL 31 -2.595 -8.818 -6.842 236 HB VAL 31 HB VAL 31 -1.269 -7.870 -4.910 237 1HG1 VAL 31 1HG1 VAL 31 0.560 -6.403 -5.279 238 2HG1 VAL 31 2HG1 VAL 31 0.973 -7.912 -6.107 239 3HG1 VAL 31 3HG1 VAL 31 0.425 -6.516 -7.048 240 1HG2 VAL 31 1HG2 VAL 31 -3.083 -6.668 -6.054 241 2HG2 VAL 31 2HG2 VAL 31 -1.846 -5.587 -5.361 242 3HG2 VAL 31 3HG2 VAL 31 -1.863 -5.899 -7.110 243 H THR 32 H THR 32 -2.726 -7.317 -8.682 244 HA THR 32 HA THR 32 -0.828 -8.003 -10.882 245 HB THR 32 HB THR 32 -3.773 -7.245 -11.043 246 HG1 THR 32 1HG THR 32 -3.867 -9.490 -11.744 247 1HG2 THR 32 1HG2 THR 32 -3.517 -7.950 -13.419 248 2HG2 THR 32 2HG2 THR 32 -2.527 -6.535 -13.038 249 3HG2 THR 32 3HG2 THR 32 -1.768 -8.135 -13.162 250 H GLU 33 H GLU 33 -3.130 -5.444 -9.762 251 HA GLU 33 HA GLU 33 -1.017 -3.433 -10.583 252 1HB GLU 33 2HB GLU 33 -4.029 -3.165 -10.949 253 2HB GLU 33 3HB GLU 33 -2.877 -1.827 -10.949 254 1HG GLU 33 2HG GLU 33 -1.612 -3.259 -12.770 255 2HG GLU 33 3HG GLU 33 -3.182 -4.049 -12.966 256 H ALA 34 H ALA 34 -0.650 -1.702 -9.214 257 HA ALA 34 HA ALA 34 -2.403 -1.398 -6.911 258 1HB ALA 34 1HB ALA 34 -0.489 -1.445 -5.322 259 2HB ALA 34 2HB ALA 34 -0.858 -3.036 -6.049 260 3HB ALA 34 3HB ALA 34 0.550 -2.093 -6.617 261 H ILE 35 H ILE 35 -2.613 0.731 -6.440 262 HA ILE 35 HA ILE 35 -0.599 2.645 -7.579 263 HB ILE 35 HB ILE 35 -3.617 2.901 -7.757 264 1HG1 ILE 35 2HG1 ILE 35 -2.036 2.751 -10.262 265 2HG1 ILE 35 3HG1 ILE 35 -2.145 1.220 -9.438 266 1HG2 ILE 35 1HG2 ILE 35 -2.476 5.056 -7.582 267 2HG2 ILE 35 2HG2 ILE 35 -1.343 4.597 -8.865 268 3HG2 ILE 35 3HG2 ILE 35 -3.063 4.825 -9.234 269 1HD1 ILE 35 1HD1 ILE 35 -4.555 2.900 -10.167 270 2HD1 ILE 35 2HD1 ILE 35 -3.979 1.440 -11.000 271 3HD1 ILE 35 3HD1 ILE 35 -4.571 1.327 -9.334 272 H VAL 36 H VAL 36 0.309 3.344 -5.701 273 HA VAL 36 HA VAL 36 -1.390 3.851 -3.341 274 HB VAL 36 HB VAL 36 0.563 2.638 -2.855 275 1HG1 VAL 36 1HG1 VAL 36 1.961 2.995 -4.656 276 2HG1 VAL 36 2HG1 VAL 36 2.082 4.757 -4.398 277 3HG1 VAL 36 3HG1 VAL 36 2.843 3.631 -3.259 278 1HG2 VAL 36 1HG2 VAL 36 1.073 5.509 -2.008 279 2HG2 VAL 36 2HG2 VAL 36 -0.087 4.396 -1.229 280 3HG2 VAL 36 3HG2 VAL 36 1.657 4.041 -1.239 281 H ASN 37 H ASN 37 -1.721 5.843 -2.400 282 HA ASN 37 HA ASN 37 -0.632 8.281 -3.727 283 1HB ASN 37 2HB ASN 37 -3.523 7.531 -3.237 284 2HB ASN 37 3HB ASN 37 -3.002 9.228 -3.223 285 1HD2 ASN 37 1HD2 ASN 37 -2.850 6.305 -5.366 286 2HD2 ASN 37 2HD2 ASN 37 -2.997 7.257 -6.828 287 H PHE 38 H PHE 38 0.741 7.526 -1.750 288 HA PHE 38 HA PHE 38 0.021 8.135 0.945 289 1HB PHE 38 2HB PHE 38 2.583 8.533 -0.666 290 2HB PHE 38 3HB PHE 38 2.467 8.957 1.035 291 HD1 PHE 38 1HD PHE 38 0.504 6.004 0.545 292 HD2 PHE 38 2HD PHE 38 4.480 7.540 1.222 293 HE1 PHE 38 1HE PHE 38 1.168 3.879 1.481 294 HE2 PHE 38 2HE PHE 38 5.159 5.361 2.078 295 HZ PHE 38 HZ PHE 38 3.555 3.446 2.117 296 H GLY 39 H GLY 39 0.415 10.263 -1.811 297 1HA GLY 39 1HA GLY 39 1.063 12.558 -0.400 298 2HA GLY 39 2HA GLY 39 0.151 12.519 -1.936 299 H ALA 40 H ALA 40 -1.923 10.708 -0.347 300 HA ALA 40 HA ALA 40 -2.821 12.584 1.749 301 1HB ALA 40 1HB ALA 40 -4.665 11.268 -0.291 302 2HB ALA 40 2HB ALA 40 -5.186 12.077 1.212 303 3HB ALA 40 3HB ALA 40 -4.377 13.001 -0.065 304 H SER 41 H SER 41 -4.668 9.710 1.056 305 HA SER 41 HA SER 41 -3.257 7.976 2.848 306 1HB SER 41 2HB SER 41 -5.834 9.451 3.646 307 2HB SER 41 3HB SER 41 -5.330 7.934 4.402 308 HG SER 41 HG SER 41 -3.422 8.909 5.037 309 H LYS 42 H LYS 42 -3.504 7.140 0.471 310 HA LYS 42 HA LYS 42 -5.784 5.354 0.502 311 1HB LYS 42 2HB LYS 42 -6.070 6.099 -2.087 312 2HB LYS 42 3HB LYS 42 -7.110 6.641 -0.775 313 1HG LYS 42 2HG LYS 42 -6.145 8.752 -0.639 314 2HG LYS 42 3HG LYS 42 -4.660 8.271 -1.479 315 1HD LYS 42 2HD LYS 42 -5.861 8.019 -3.588 316 2HD LYS 42 3HD LYS 42 -7.414 8.330 -2.791 317 1HE LYS 42 2HE LYS 42 -6.829 10.620 -2.309 318 2HE LYS 42 3HE LYS 42 -5.137 10.371 -2.765 319 1HZ LYS 42 1HZ LYS 42 -7.395 10.219 -4.647 320 2HZ LYS 42 2HZ LYS 42 -6.401 11.513 -4.455 321 3HZ LYS 42 3HZ LYS 42 -5.793 10.100 -5.024 322 H ILE 43 H ILE 43 -5.322 3.451 -0.430 323 HA ILE 43 HA ILE 43 -3.161 3.286 -2.422 324 HB ILE 43 HB ILE 43 -2.046 2.961 -0.342 325 1HG1 ILE 43 2HG1 ILE 43 -1.248 1.540 -2.181 326 2HG1 ILE 43 3HG1 ILE 43 -0.933 0.895 -0.565 327 1HG2 ILE 43 1HG2 ILE 43 -2.542 1.173 1.222 328 2HG2 ILE 43 2HG2 ILE 43 -3.817 2.382 1.166 329 3HG2 ILE 43 3HG2 ILE 43 -4.052 0.812 0.372 330 1HD1 ILE 43 1HD1 ILE 43 -2.764 -0.720 -0.813 331 2HD1 ILE 43 2HD1 ILE 43 -3.023 -0.146 -2.470 332 3HD1 ILE 43 3HD1 ILE 43 -1.481 -0.871 -2.025 333 H THR 44 H THR 44 -3.991 2.387 -4.167 334 HA THR 44 HA THR 44 -6.321 0.572 -3.971 335 HB THR 44 HB THR 44 -4.895 1.756 -6.365 336 HG1 THR 44 1HG THR 44 -6.425 2.797 -4.651 337 1HG2 THR 44 1HG2 THR 44 -7.503 0.187 -6.195 338 2HG2 THR 44 2HG2 THR 44 -6.912 1.054 -7.627 339 3HG2 THR 44 3HG2 THR 44 -6.019 -0.345 -7.018 340 H VAL 45 H VAL 45 -6.151 -1.549 -4.228 341 HA VAL 45 HA VAL 45 -3.681 -2.787 -5.297 342 HB VAL 45 HB VAL 45 -5.210 -3.239 -2.750 343 1HG1 VAL 45 1HG1 VAL 45 -4.601 -5.623 -2.596 344 2HG1 VAL 45 2HG1 VAL 45 -5.853 -5.329 -3.807 345 3HG1 VAL 45 3HG1 VAL 45 -4.173 -5.626 -4.315 346 1HG2 VAL 45 1HG2 VAL 45 -3.070 -3.790 -1.876 347 2HG2 VAL 45 2HG2 VAL 45 -2.383 -4.060 -3.496 348 3HG2 VAL 45 3HG2 VAL 45 -2.823 -2.425 -2.986 349 H THR 46 H THR 46 -4.160 -4.285 -6.924 350 HA THR 46 HA THR 46 -6.897 -5.274 -7.215 351 HB THR 46 HB THR 46 -5.394 -3.567 -9.252 352 HG1 THR 46 1HG THR 46 -7.208 -3.277 -7.478 353 1HG2 THR 46 1HG2 THR 46 -7.292 -4.076 -10.820 354 2HG2 THR 46 2HG2 THR 46 -6.248 -5.478 -10.550 355 3HG2 THR 46 3HG2 THR 46 -7.820 -5.374 -9.723 356 H GLY 47 H GLY 47 -6.889 -7.283 -7.890 357 1HA GLY 47 1HA GLY 47 -5.365 -8.460 -9.761 358 2HA GLY 47 2HA GLY 47 -4.267 -8.559 -8.401 359 H GLU 48 H GLU 48 -4.685 -9.935 -6.662 360 HA GLU 48 HA GLU 48 -7.318 -10.818 -5.978 361 1HB GLU 48 2HB GLU 48 -6.505 -12.425 -7.911 362 2HB GLU 48 3HB GLU 48 -5.466 -13.097 -6.661 363 1HG GLU 48 2HG GLU 48 -7.245 -14.467 -6.317 364 2HG GLU 48 3HG GLU 48 -7.884 -13.138 -5.353 365 H ALA 49 H ALA 49 -5.657 -9.207 -4.563 366 HA ALA 49 HA ALA 49 -5.096 -10.850 -2.192 367 1HB ALA 49 1HB ALA 49 -2.929 -10.823 -3.379 368 2HB ALA 49 2HB ALA 49 -2.979 -9.047 -3.445 369 3HB ALA 49 3HB ALA 49 -2.843 -9.883 -1.884 370 H SER 50 H SER 50 -4.333 -9.251 -0.366 371 HA SER 50 HA SER 50 -6.135 -6.866 -0.351 372 1HB SER 50 2HB SER 50 -5.705 -9.103 1.682 373 2HB SER 50 3HB SER 50 -6.419 -7.558 2.135 374 HG SER 50 HG SER 50 -7.946 -7.918 0.357 375 H ILE 51 H ILE 51 -5.639 -5.376 1.554 376 HA ILE 51 HA ILE 51 -3.152 -4.415 1.253 377 HB ILE 51 HB ILE 51 -5.194 -3.228 2.378 378 1HG1 ILE 51 2HG1 ILE 51 -3.714 -1.843 3.756 379 2HG1 ILE 51 3HG1 ILE 51 -2.373 -2.896 3.326 380 1HG2 ILE 51 1HG2 ILE 51 -5.392 -4.940 4.285 381 2HG2 ILE 51 2HG2 ILE 51 -3.891 -4.218 4.938 382 3HG2 ILE 51 3HG2 ILE 51 -5.343 -3.233 4.755 383 1HD1 ILE 51 1HD1 ILE 51 -4.117 -1.272 1.425 384 2HD1 ILE 51 2HD1 ILE 51 -2.416 -0.964 1.840 385 3HD1 ILE 51 3HD1 ILE 51 -2.845 -2.366 0.873 386 H GLN 52 H GLN 52 -4.102 -6.820 3.663 387 HA GLN 52 HA GLN 52 -2.230 -6.916 5.555 388 1HB GLN 52 2HB GLN 52 -3.091 -9.163 3.695 389 2HB GLN 52 3HB GLN 52 -2.192 -9.473 5.187 390 1HG GLN 52 2HG GLN 52 -3.928 -8.729 6.585 391 2HG GLN 52 3HG GLN 52 -4.779 -7.881 5.290 392 1HE2 GLN 52 1HE2 GLN 52 -6.343 -9.474 6.788 393 2HE2 GLN 52 2HE2 GLN 52 -6.753 -10.919 5.881 394 H GLN 53 H GLN 53 -1.536 -8.080 2.248 395 HA GLN 53 HA GLN 53 1.215 -8.791 2.662 396 1HB GLN 53 2HB GLN 53 -0.213 -7.809 0.171 397 2HB GLN 53 3HB GLN 53 1.359 -8.618 0.217 398 1HG GLN 53 2HG GLN 53 -0.768 -10.171 1.607 399 2HG GLN 53 3HG GLN 53 -1.170 -9.789 -0.068 400 1HE2 GLN 53 1HE2 GLN 53 -1.067 -12.054 -0.579 401 2HE2 GLN 53 2HE2 GLN 53 0.494 -12.826 -0.768 402 H VAL 54 H VAL 54 -0.319 -5.800 1.540 403 HA VAL 54 HA VAL 54 2.068 -4.319 0.892 404 HB VAL 54 HB VAL 54 -0.827 -3.421 1.374 405 1HG1 VAL 54 1HG1 VAL 54 -0.119 -1.512 -0.104 406 2HG1 VAL 54 2HG1 VAL 54 0.369 -1.560 1.582 407 3HG1 VAL 54 3HG1 VAL 54 1.561 -1.951 0.315 408 1HG2 VAL 54 1HG2 VAL 54 -0.870 -5.017 -0.402 409 2HG2 VAL 54 2HG2 VAL 54 -0.853 -3.423 -1.161 410 3HG2 VAL 54 3HG2 VAL 54 0.641 -4.387 -1.082 411 H GLU 55 H GLU 55 -0.151 -4.489 3.688 412 HA GLU 55 HA GLU 55 0.984 -2.429 5.200 413 1HB GLU 55 2HB GLU 55 -1.312 -3.621 5.379 414 2HB GLU 55 3HB GLU 55 -0.487 -4.821 6.375 415 1HG GLU 55 2HG GLU 55 0.077 -3.163 8.023 416 2HG GLU 55 3HG GLU 55 -0.272 -1.830 6.911 417 H GLN 56 H GLN 56 1.494 -6.020 5.170 418 HA GLN 56 HA GLN 56 3.476 -6.228 7.102 419 1HB GLN 56 2HB GLN 56 2.291 -8.062 5.681 420 2HB GLN 56 3HB GLN 56 3.490 -7.706 4.437 421 1HG GLN 56 2HG GLN 56 4.305 -9.541 5.601 422 2HG GLN 56 3HG GLN 56 5.277 -8.167 6.161 423 1HE2 GLN 56 1HE2 GLN 56 5.595 -10.101 7.863 424 2HE2 GLN 56 2HE2 GLN 56 4.506 -10.014 9.237 425 H ALA 57 H ALA 57 3.861 -5.499 3.565 426 HA ALA 57 HA ALA 57 6.617 -4.980 3.605 427 1HB ALA 57 1HB ALA 57 6.287 -4.353 1.483 428 2HB ALA 57 2HB ALA 57 4.622 -4.867 1.697 429 3HB ALA 57 3HB ALA 57 5.033 -3.153 1.874 430 H GLY 58 H GLY 58 3.898 -2.759 4.286 431 1HA GLY 58 1HA GLY 58 5.294 -0.367 4.736 432 2HA GLY 58 2HA GLY 58 3.701 -0.808 5.385 433 H ALA 59 H ALA 59 5.320 -3.241 6.722 434 HA ALA 59 HA ALA 59 5.784 -2.275 9.282 435 1HB ALA 59 1HB ALA 59 7.389 -4.391 7.800 436 2HB ALA 59 2HB ALA 59 7.325 -4.160 9.558 437 3HB ALA 59 3HB ALA 59 5.863 -4.657 8.689 438 H PHE 60 H PHE 60 7.807 -1.778 6.364 439 HA PHE 60 HA PHE 60 10.168 -0.989 7.650 440 1HB PHE 60 2HB PHE 60 10.743 0.298 5.733 441 2HB PHE 60 3HB PHE 60 10.067 -1.263 5.281 442 HD1 PHE 60 1HD PHE 60 8.504 -1.295 3.500 443 HD2 PHE 60 2HD PHE 60 9.172 2.393 5.619 444 HE1 PHE 60 1HE PHE 60 7.075 -0.093 1.885 445 HE2 PHE 60 2HE PHE 60 7.586 3.541 4.124 446 HZ PHE 60 HZ PHE 60 6.570 2.329 2.210 447 H GLU 61 H GLU 61 7.166 0.885 7.385 448 HA GLU 61 HA GLU 61 8.383 2.999 9.150 449 1HB GLU 61 2HB GLU 61 6.768 3.207 6.639 450 2HB GLU 61 3HB GLU 61 6.416 4.369 7.923 451 1HG GLU 61 2HG GLU 61 9.308 4.011 7.185 452 2HG GLU 61 3HG GLU 61 8.238 4.859 6.050 453 H HIS 62 H HIS 62 6.313 0.426 9.133 454 HA HIS 62 HA HIS 62 4.746 -0.316 10.590 455 1HB HIS 62 2HB HIS 62 5.486 2.077 12.330 456 2HB HIS 62 3HB HIS 62 4.501 0.699 12.806 457 HD1 HIS 62 1HD HIS 62 7.161 -0.953 11.005 458 HD2 HIS 62 2HD HIS 62 6.795 1.065 14.680 459 HE1 HIS 62 1HE HIS 62 8.989 -1.856 12.509 460 H LEU 63 H LEU 63 3.759 0.788 8.422 461 HA LEU 63 HA LEU 63 2.000 3.038 8.877 462 1HB LEU 63 2HB LEU 63 2.179 0.850 6.781 463 2HB LEU 63 3HB LEU 63 0.833 2.001 6.790 464 HG LEU 63 HG LEU 63 2.149 3.861 6.472 465 1HD1 LEU 63 1HD1 LEU 63 4.595 3.867 6.216 466 2HD1 LEU 63 2HD1 LEU 63 4.097 3.521 7.871 467 3HD1 LEU 63 3HD1 LEU 63 4.655 2.195 6.816 468 1HD2 LEU 63 1HD2 LEU 63 3.311 1.610 4.756 469 2HD2 LEU 63 2HD2 LEU 63 1.757 2.415 4.455 470 3HD2 LEU 63 3HD2 LEU 63 3.280 3.324 4.325 471 H LYS 64 H LYS 64 -0.335 3.016 8.919 472 HA LYS 64 HA LYS 64 -1.596 0.462 9.704 473 1HB LYS 64 2HB LYS 64 -3.146 1.831 11.200 474 2HB LYS 64 3HB LYS 64 -1.575 1.291 11.784 475 1HG LYS 64 2HG LYS 64 -1.692 3.333 12.681 476 2HG LYS 64 3HG LYS 64 -0.702 3.681 11.278 477 1HD LYS 64 2HD LYS 64 -2.321 4.945 10.282 478 2HD LYS 64 3HD LYS 64 -3.664 3.959 10.868 479 1HE LYS 64 2HE LYS 64 -3.151 4.922 13.230 480 2HE LYS 64 3HE LYS 64 -2.156 6.129 12.392 481 1HZ LYS 64 1HZ LYS 64 -4.131 6.870 11.264 482 2HZ LYS 64 2HZ LYS 64 -5.041 5.664 11.906 483 3HZ LYS 64 3HZ LYS 64 -4.414 6.865 12.844 484 H ILE 65 H ILE 65 -2.974 -0.040 8.192 485 HA ILE 65 HA ILE 65 -4.272 2.123 6.637 486 HB ILE 65 HB ILE 65 -3.625 -0.669 5.638 487 1HG1 ILE 65 2HG1 ILE 65 -1.913 1.790 5.664 488 2HG1 ILE 65 3HG1 ILE 65 -1.517 0.129 6.175 489 1HG2 ILE 65 1HG2 ILE 65 -4.077 1.911 4.093 490 2HG2 ILE 65 2HG2 ILE 65 -4.034 0.286 3.432 491 3HG2 ILE 65 3HG2 ILE 65 -5.371 0.763 4.472 492 1HD1 ILE 65 1HD1 ILE 65 -1.285 -0.607 3.935 493 2HD1 ILE 65 2HD1 ILE 65 -1.885 0.948 3.293 494 3HD1 ILE 65 3HD1 ILE 65 -0.374 0.909 4.184 495 H ILE 66 H ILE 66 -6.528 1.885 6.258 496 HA ILE 66 HA ILE 66 -7.780 -0.423 7.669 497 HB ILE 66 HB ILE 66 -8.671 2.464 7.924 498 1HG1 ILE 66 2HG1 ILE 66 -8.193 1.598 10.474 499 2HG1 ILE 66 3HG1 ILE 66 -6.950 0.677 9.643 500 1HG2 ILE 66 1HG2 ILE 66 -9.723 -0.071 9.252 501 2HG2 ILE 66 2HG2 ILE 66 -10.300 1.582 9.524 502 3HG2 ILE 66 3HG2 ILE 66 -10.549 0.822 7.952 503 1HD1 ILE 66 1HD1 ILE 66 -6.083 2.870 8.693 504 2HD1 ILE 66 2HD1 ILE 66 -7.352 3.703 9.616 505 3HD1 ILE 66 3HD1 ILE 66 -6.079 2.803 10.464 506 HA PRO 67 HA PRO 67 -10.050 -0.473 3.746 507 1HB PRO 67 2HB PRO 67 -11.922 -2.375 4.383 508 2HB PRO 67 3HB PRO 67 -10.240 -2.785 3.977 509 1HG PRO 67 2HG PRO 67 -11.473 -2.523 6.718 510 2HG PRO 67 3HG PRO 67 -10.384 -3.805 6.118 511 1HD PRO 67 2HD PRO 67 -9.524 -1.717 7.620 512 2HD PRO 67 3HD PRO 67 -8.490 -2.408 6.338 513 H GLU 68 H GLU 68 -11.153 1.443 3.612 514 HA GLU 68 HA GLU 68 -12.943 2.664 5.286 515 1HB GLU 68 2HB GLU 68 -13.128 2.391 2.243 516 2HB GLU 68 3HB GLU 68 -14.033 3.566 3.213 517 1HG GLU 68 2HG GLU 68 -11.930 4.555 4.019 518 2HG GLU 68 3HG GLU 68 -10.993 3.376 3.080 519 H LYS 69 H LYS 69 -13.701 0.109 2.936 520 HA LYS 69 HA LYS 69 -15.379 -1.390 2.741 521 1HB LYS 69 2HB LYS 69 -14.486 -1.751 5.153 522 2HB LYS 69 3HB LYS 69 -15.995 -1.001 5.692 523 1HG LYS 69 2HG LYS 69 -17.236 -2.747 4.325 524 2HG LYS 69 3HG LYS 69 -15.647 -3.484 3.973 525 1HD LYS 69 2HD LYS 69 -15.357 -3.430 6.607 526 2HD LYS 69 3HD LYS 69 -17.111 -3.247 6.635 527 1HE LYS 69 2HE LYS 69 -15.476 -5.530 5.406 528 2HE LYS 69 3HE LYS 69 -16.461 -5.616 6.872 529 1HZ LYS 69 1HZ LYS 69 -18.412 -5.230 5.508 530 2HZ LYS 69 2HZ LYS 69 -17.496 -5.140 4.150 531 3HZ LYS 69 3HZ LYS 69 -17.589 -6.555 4.979 532 H GLU 70 H GLU 70 -16.090 0.977 1.782 533 HA GLU 70 HA GLU 70 -18.507 2.071 2.883 534 1HB GLU 70 2HB GLU 70 -16.682 3.203 1.458 535 2HB GLU 70 3HB GLU 70 -17.419 2.416 0.061 536 1HG GLU 70 2HG GLU 70 -18.285 4.642 0.190 537 2HG GLU 70 3HG GLU 70 -19.601 3.579 0.700 538 H ALA 71 H ALA 71 -19.515 -0.254 3.059 539 HA ALA 71 HA ALA 71 -21.609 -0.435 1.109 540 1HB ALA 71 1HB ALA 71 -21.156 -2.773 0.442 541 2HB ALA 71 2HB ALA 71 -19.865 -1.715 -0.152 542 3HB ALA 71 3HB ALA 71 -19.597 -2.729 1.286 Start of MODEL 12 1 1H MET 1 H1 MET 1 -11.369 -7.877 -13.521 2 2H MET 1 H2 MET 1 -11.996 -6.987 -14.791 3 3H MET 1 H3 MET 1 -11.701 -6.296 -13.307 4 HA MET 1 HA MET 1 -13.983 -6.655 -13.311 5 1HB MET 1 2HB MET 1 -14.823 -9.025 -13.639 6 2HB MET 1 3HB MET 1 -14.332 -8.178 -15.105 7 1HG MET 1 2HG MET 1 -12.512 -9.545 -15.475 8 2HG MET 1 3HG MET 1 -12.263 -9.917 -13.763 9 1HE MET 1 1HE MET 1 -12.704 -13.424 -15.310 10 2HE MET 1 2HE MET 1 -12.037 -12.030 -16.191 11 3HE MET 1 3HE MET 1 -11.606 -12.296 -14.481 12 H ALA 2 H ALA 2 -14.914 -7.197 -11.286 13 HA ALA 2 HA ALA 2 -14.726 -7.377 -9.041 14 1HB ALA 2 1HB ALA 2 -13.745 -10.158 -9.775 15 2HB ALA 2 2HB ALA 2 -14.559 -9.668 -8.264 16 3HB ALA 2 3HB ALA 2 -15.434 -9.620 -9.795 17 H GLU 3 H GLU 3 -12.579 -9.351 -7.891 18 HA GLU 3 HA GLU 3 -10.989 -8.517 -6.305 19 1HB GLU 3 2HB GLU 3 -10.113 -9.752 -8.892 20 2HB GLU 3 3HB GLU 3 -8.892 -9.328 -7.689 21 1HG GLU 3 2HG GLU 3 -9.751 -11.694 -7.550 22 2HG GLU 3 3HG GLU 3 -9.723 -10.760 -6.054 23 H LYS 4 H LYS 4 -11.652 -6.211 -6.476 24 HA LYS 4 HA LYS 4 -9.222 -4.608 -6.852 25 1HB LYS 4 2HB LYS 4 -10.673 -2.681 -7.643 26 2HB LYS 4 3HB LYS 4 -10.329 -3.945 -8.812 27 1HG LYS 4 2HG LYS 4 -12.448 -4.229 -9.246 28 2HG LYS 4 3HG LYS 4 -12.822 -4.695 -7.597 29 1HD LYS 4 2HD LYS 4 -12.730 -1.808 -8.584 30 2HD LYS 4 3HD LYS 4 -14.176 -2.831 -8.598 31 1HE LYS 4 2HE LYS 4 -13.929 -3.171 -6.107 32 2HE LYS 4 3HE LYS 4 -12.612 -1.985 -6.114 33 1HZ LYS 4 1HZ LYS 4 -14.708 -1.017 -5.502 34 2HZ LYS 4 2HZ LYS 4 -14.198 -0.354 -6.918 35 3HZ LYS 4 3HZ LYS 4 -15.406 -1.474 -6.913 36 H THR 5 H THR 5 -8.875 -3.344 -5.017 37 HA THR 5 HA THR 5 -11.159 -2.492 -3.401 38 HB THR 5 HB THR 5 -8.923 -4.205 -2.167 39 HG1 THR 5 1HG THR 5 -11.387 -4.590 -3.191 40 1HG2 THR 5 1HG2 THR 5 -9.753 -2.541 -0.507 41 2HG2 THR 5 2HG2 THR 5 -11.433 -2.919 -0.950 42 3HG2 THR 5 3HG2 THR 5 -10.429 -4.133 -0.145 43 H VAL 6 H VAL 6 -10.544 -0.750 -1.984 44 HA VAL 6 HA VAL 6 -7.782 -0.143 -2.041 45 HB VAL 6 HB VAL 6 -8.559 1.184 -3.819 46 1HG1 VAL 6 1HG1 VAL 6 -10.396 2.740 -3.846 47 2HG1 VAL 6 2HG1 VAL 6 -10.916 1.069 -3.649 48 3HG1 VAL 6 3HG1 VAL 6 -10.918 2.163 -2.238 49 1HG2 VAL 6 1HG2 VAL 6 -8.259 3.535 -3.172 50 2HG2 VAL 6 2HG2 VAL 6 -8.702 3.163 -1.494 51 3HG2 VAL 6 3HG2 VAL 6 -7.178 2.559 -2.173 52 H TYR 7 H TYR 7 -6.972 0.883 -0.246 53 HA TYR 7 HA TYR 7 -8.793 0.817 2.139 54 1HB TYR 7 2HB TYR 7 -5.919 -0.144 1.889 55 2HB TYR 7 3HB TYR 7 -6.940 -0.194 3.329 56 HD1 TYR 7 HD1 TYR 7 -6.553 -1.611 -0.119 57 HD2 TYR 7 HD2 TYR 7 -8.063 -2.144 3.879 58 HE1 TYR 7 HE1 TYR 7 -6.900 -4.013 -0.564 59 HE2 TYR 7 HE2 TYR 7 -8.449 -4.536 3.413 60 HH TYR 7 HH TYR 7 -7.936 -6.064 0.337 61 H ARG 8 H ARG 8 -8.206 2.357 3.815 62 HA ARG 8 HA ARG 8 -6.951 4.737 2.674 63 1HB ARG 8 2HB ARG 8 -9.174 4.414 4.198 64 2HB ARG 8 3HB ARG 8 -8.003 4.539 5.517 65 1HG ARG 8 2HG ARG 8 -7.172 6.691 4.352 66 2HG ARG 8 3HG ARG 8 -8.575 6.490 3.279 67 1HD ARG 8 2HD ARG 8 -9.721 6.196 5.792 68 2HD ARG 8 3HD ARG 8 -8.428 7.339 6.141 69 HE ARG 8 HE ARG 8 -10.609 7.544 4.049 70 1HH1 ARG 8 2HH2 ARG 8 -8.551 9.301 6.346 71 2HH1 ARG 8 1HH2 ARG 8 -9.292 10.835 6.036 72 1HH2 ARG 8 2HH1 ARG 8 -11.476 9.436 3.552 73 2HH2 ARG 8 1HH1 ARG 8 -11.003 10.950 4.302 74 H VAL 9 H VAL 9 -4.863 5.416 3.239 75 HA VAL 9 HA VAL 9 -3.489 3.918 5.429 76 HB VAL 9 HB VAL 9 -2.586 3.004 3.475 77 1HG1 VAL 9 1HG1 VAL 9 -1.482 4.346 1.698 78 2HG1 VAL 9 2HG1 VAL 9 -3.232 4.537 1.733 79 3HG1 VAL 9 3HG1 VAL 9 -2.191 5.823 2.383 80 1HG2 VAL 9 1HG2 VAL 9 -0.570 5.124 4.184 81 2HG2 VAL 9 2HG2 VAL 9 -1.033 3.851 5.341 82 3HG2 VAL 9 3HG2 VAL 9 -0.329 3.411 3.785 83 H ASP 10 H ASP 10 -2.463 5.066 6.911 84 HA ASP 10 HA ASP 10 -2.179 8.008 6.618 85 1HB ASP 10 2HB ASP 10 -3.763 6.416 8.680 86 2HB ASP 10 3HB ASP 10 -3.041 7.970 9.096 87 H GLY 11 H GLY 11 -0.841 8.840 8.416 88 1HA GLY 11 1HA GLY 11 0.797 8.564 10.120 89 2HA GLY 11 2HA GLY 11 1.131 6.915 9.578 90 H LEU 12 H LEU 12 1.495 7.166 6.918 91 HA LEU 12 HA LEU 12 4.156 7.948 6.682 92 1HB LEU 12 2HB LEU 12 3.962 7.408 4.378 93 2HB LEU 12 3HB LEU 12 2.962 6.286 5.282 94 HG LEU 12 HG LEU 12 1.733 6.706 3.431 95 1HD1 LEU 12 1HD1 LEU 12 -0.296 7.827 3.957 96 2HD1 LEU 12 2HD1 LEU 12 0.286 6.929 5.360 97 3HD1 LEU 12 3HD1 LEU 12 0.453 8.702 5.296 98 1HD2 LEU 12 1HD2 LEU 12 2.075 9.717 3.498 99 2HD2 LEU 12 2HD2 LEU 12 3.047 8.601 2.509 100 3HD2 LEU 12 3HD2 LEU 12 1.296 8.703 2.295 101 H SER 13 H SER 13 5.188 9.527 5.253 102 HA SER 13 HA SER 13 3.713 11.737 4.113 103 1HB SER 13 2HB SER 13 4.712 13.470 5.739 104 2HB SER 13 3HB SER 13 3.363 12.515 6.335 105 HG SER 13 HG SER 13 4.939 12.455 7.895 106 H CYS 14 H CYS 14 5.580 10.150 2.755 107 HA CYS 14 HA CYS 14 7.469 12.236 2.089 108 1HB CYS 14 2HB CYS 14 8.394 10.795 4.179 109 2HB CYS 14 3HB CYS 14 8.932 9.719 2.880 110 HG CYS 14 HG CYS 14 10.712 11.505 3.849 111 H THR 15 H THR 15 8.365 12.072 0.035 112 HA THR 15 HA THR 15 7.043 10.458 -1.808 113 HB THR 15 HB THR 15 9.752 11.793 -2.206 114 HG1 THR 15 1HG THR 15 7.179 12.977 -2.204 115 1HG2 THR 15 1HG2 THR 15 8.899 10.539 -4.162 116 2HG2 THR 15 2HG2 THR 15 7.353 11.407 -4.061 117 3HG2 THR 15 3HG2 THR 15 8.846 12.286 -4.452 118 H ASN 16 H ASN 16 10.424 10.115 -0.562 119 HA ASN 16 HA ASN 16 11.066 7.813 -2.001 120 1HB ASN 16 2HB ASN 16 12.676 7.325 -0.090 121 2HB ASN 16 3HB ASN 16 12.856 8.864 -0.935 122 1HD2 ASN 16 1HD2 ASN 16 12.739 10.772 0.225 123 2HD2 ASN 16 2HD2 ASN 16 12.192 10.850 1.887 124 H CYS 17 H CYS 17 9.338 8.148 1.137 125 HA CYS 17 HA CYS 17 9.025 5.346 1.572 126 1HB CYS 17 2HB CYS 17 7.272 7.656 2.527 127 2HB CYS 17 3HB CYS 17 7.120 5.942 2.938 128 HG CYS 17 HG CYS 17 8.153 6.604 4.931 129 H ALA 18 H ALA 18 6.961 7.737 -0.165 130 HA ALA 18 HA ALA 18 4.865 6.039 -0.907 131 1HB ALA 18 1HB ALA 18 6.067 8.096 -2.805 132 2HB ALA 18 2HB ALA 18 4.403 7.541 -2.695 133 3HB ALA 18 3HB ALA 18 5.093 8.544 -1.396 134 H ALA 19 H ALA 19 7.993 6.581 -2.491 135 HA ALA 19 HA ALA 19 7.670 4.814 -4.695 136 1HB ALA 19 1HB ALA 19 10.253 5.650 -3.326 137 2HB ALA 19 2HB ALA 19 10.088 4.936 -4.938 138 3HB ALA 19 3HB ALA 19 9.404 6.540 -4.605 139 H LYS 20 H LYS 20 9.288 4.320 -1.524 140 HA LYS 20 HA LYS 20 9.968 1.615 -1.753 141 1HB LYS 20 2HB LYS 20 10.524 3.234 0.126 142 2HB LYS 20 3HB LYS 20 8.876 3.030 0.707 143 1HG LYS 20 2HG LYS 20 10.158 1.664 2.022 144 2HG LYS 20 3HG LYS 20 9.338 0.537 0.940 145 1HD LYS 20 2HD LYS 20 11.273 0.100 -0.332 146 2HD LYS 20 3HD LYS 20 12.127 1.537 0.247 147 1HE LYS 20 2HE LYS 20 11.409 -0.916 1.933 148 2HE LYS 20 3HE LYS 20 13.002 -0.565 1.246 149 1HZ LYS 20 1HZ LYS 20 13.018 1.477 2.573 150 2HZ LYS 20 2HZ LYS 20 11.603 1.036 3.289 151 3HZ LYS 20 3HZ LYS 20 12.953 0.122 3.501 152 H PHE 21 H PHE 21 6.847 3.094 -0.769 153 HA PHE 21 HA PHE 21 5.566 0.615 -0.250 154 1HB PHE 21 2HB PHE 21 4.896 3.220 0.207 155 2HB PHE 21 3HB PHE 21 3.827 2.867 -1.124 156 HD1 PHE 21 1HD PHE 21 1.806 1.468 -0.653 157 HD2 PHE 21 2HD PHE 21 5.005 1.757 2.214 158 HE1 PHE 21 1HE PHE 21 0.262 0.800 1.194 159 HE2 PHE 21 2HE PHE 21 3.519 0.869 3.959 160 HZ PHE 21 HZ PHE 21 1.157 0.434 3.479 161 H GLU 22 H GLU 22 5.257 2.736 -3.237 162 HA GLU 22 HA GLU 22 3.501 0.971 -4.533 163 1HB GLU 22 2HB GLU 22 4.097 1.932 -6.687 164 2HB GLU 22 3HB GLU 22 3.973 3.177 -5.461 165 1HG GLU 22 2HG GLU 22 5.735 3.908 -6.683 166 2HG GLU 22 3HG GLU 22 6.416 3.137 -5.280 167 H ARG 23 H ARG 23 7.054 1.030 -4.483 168 HA ARG 23 HA ARG 23 7.480 -1.118 -6.249 169 1HB ARG 23 2HB ARG 23 9.111 0.633 -5.091 170 2HB ARG 23 3HB ARG 23 9.220 -0.464 -3.761 171 1HG ARG 23 2HG ARG 23 10.571 -1.935 -4.841 172 2HG ARG 23 3HG ARG 23 9.614 -1.891 -6.322 173 1HD ARG 23 2HD ARG 23 11.659 0.177 -5.457 174 2HD ARG 23 3HD ARG 23 11.789 -1.004 -6.788 175 HE ARG 23 HE ARG 23 9.443 0.846 -6.922 176 1HH1 ARG 23 2HH2 ARG 23 12.819 0.502 -7.844 177 2HH1 ARG 23 1HH2 ARG 23 12.729 1.676 -9.126 178 1HH2 ARG 23 2HH1 ARG 23 9.251 2.316 -8.317 179 2HH2 ARG 23 1HH1 ARG 23 10.511 2.774 -9.484 180 H ASN 24 H ASN 24 7.553 -1.178 -2.621 181 HA ASN 24 HA ASN 24 7.946 -3.921 -2.284 182 1HB ASN 24 2HB ASN 24 6.351 -1.887 -0.654 183 2HB ASN 24 3HB ASN 24 6.430 -3.608 -0.255 184 1HD2 ASN 24 1HD2 ASN 24 7.293 -3.015 1.805 185 2HD2 ASN 24 2HD2 ASN 24 9.011 -2.830 1.931 186 H VAL 25 H VAL 25 4.873 -2.129 -2.728 187 HA VAL 25 HA VAL 25 3.141 -4.404 -2.577 188 HB VAL 25 HB VAL 25 2.787 -1.703 -3.941 189 1HG1 VAL 25 1HG1 VAL 25 1.168 -3.296 -4.842 190 2HG1 VAL 25 2HG1 VAL 25 0.794 -3.908 -3.220 191 3HG1 VAL 25 3HG1 VAL 25 0.354 -2.249 -3.657 192 1HG2 VAL 25 1HG2 VAL 25 3.166 -1.677 -1.395 193 2HG2 VAL 25 2HG2 VAL 25 1.568 -1.108 -1.904 194 3HG2 VAL 25 3HG2 VAL 25 1.793 -2.754 -1.279 195 H LYS 26 H LYS 26 4.665 -2.753 -5.365 196 HA LYS 26 HA LYS 26 3.585 -4.364 -7.434 197 1HB LYS 26 2HB LYS 26 5.972 -2.561 -7.078 198 2HB LYS 26 3HB LYS 26 5.860 -3.482 -8.554 199 1HG LYS 26 2HG LYS 26 3.831 -2.521 -9.180 200 2HG LYS 26 3HG LYS 26 3.448 -1.954 -7.551 201 1HD LYS 26 2HD LYS 26 4.440 -0.024 -7.812 202 2HD LYS 26 3HD LYS 26 5.923 -0.704 -8.447 203 1HE LYS 26 2HE LYS 26 3.394 -0.358 -10.145 204 2HE LYS 26 3HE LYS 26 4.561 0.948 -9.916 205 1HZ LYS 26 1HZ LYS 26 5.265 -1.681 -11.010 206 2HZ LYS 26 2HZ LYS 26 5.032 -0.305 -11.893 207 3HZ LYS 26 3HZ LYS 26 6.265 -0.385 -10.804 208 H GLU 27 H GLU 27 6.439 -4.921 -5.342 209 HA GLU 27 HA GLU 27 7.225 -7.312 -6.754 210 1HB GLU 27 2HB GLU 27 7.886 -6.350 -3.946 211 2HB GLU 27 3HB GLU 27 8.633 -7.728 -4.767 212 1HG GLU 27 2HG GLU 27 9.410 -6.236 -6.597 213 2HG GLU 27 3HG GLU 27 8.743 -4.839 -5.745 214 H ILE 28 H ILE 28 4.402 -6.826 -4.827 215 HA ILE 28 HA ILE 28 4.448 -9.483 -3.607 216 HB ILE 28 HB ILE 28 2.196 -7.600 -3.988 217 1HG1 ILE 28 2HG1 ILE 28 3.864 -6.515 -2.596 218 2HG1 ILE 28 3HG1 ILE 28 2.474 -6.937 -1.610 219 1HG2 ILE 28 1HG2 ILE 28 1.289 -9.778 -3.584 220 2HG2 ILE 28 2HG2 ILE 28 2.362 -10.022 -2.194 221 3HG2 ILE 28 3HG2 ILE 28 1.081 -8.782 -2.154 222 1HD1 ILE 28 1HD1 ILE 28 3.763 -8.935 -0.756 223 2HD1 ILE 28 2HD1 ILE 28 5.160 -8.386 -1.713 224 3HD1 ILE 28 3HD1 ILE 28 4.532 -7.380 -0.401 225 H GLU 29 H GLU 29 4.344 -11.110 -4.830 226 HA GLU 29 HA GLU 29 2.848 -11.552 -7.259 227 1HB GLU 29 2HB GLU 29 4.271 -13.245 -5.152 228 2HB GLU 29 3HB GLU 29 3.356 -13.967 -6.457 229 1HG GLU 29 2HG GLU 29 5.504 -11.925 -7.111 230 2HG GLU 29 3HG GLU 29 5.925 -13.613 -6.784 231 H GLY 30 H GLY 30 0.900 -10.662 -6.674 232 1HA GLY 30 1HA GLY 30 -1.157 -12.457 -5.808 233 2HA GLY 30 2HA GLY 30 -0.734 -11.369 -4.467 234 H VAL 31 H VAL 31 -0.035 -9.017 -5.997 235 HA VAL 31 HA VAL 31 -2.726 -8.228 -6.929 236 HB VAL 31 HB VAL 31 -1.662 -7.075 -4.975 237 1HG1 VAL 31 1HG1 VAL 31 0.224 -5.888 -7.042 238 2HG1 VAL 31 2HG1 VAL 31 0.069 -5.448 -5.326 239 3HG1 VAL 31 3HG1 VAL 31 0.691 -7.044 -5.771 240 1HG2 VAL 31 1HG2 VAL 31 -2.128 -5.330 -7.392 241 2HG2 VAL 31 2HG2 VAL 31 -3.403 -6.146 -6.446 242 3HG2 VAL 31 3HG2 VAL 31 -2.383 -4.923 -5.675 243 H THR 32 H THR 32 -2.854 -7.027 -8.890 244 HA THR 32 HA THR 32 -0.721 -7.657 -10.878 245 HB THR 32 HB THR 32 -3.678 -7.111 -11.367 246 HG1 THR 32 1HG THR 32 -2.207 -9.515 -11.090 247 1HG2 THR 32 1HG2 THR 32 -1.457 -8.198 -13.159 248 2HG2 THR 32 2HG2 THR 32 -3.176 -8.077 -13.591 249 3HG2 THR 32 3HG2 THR 32 -2.232 -6.607 -13.301 250 H GLU 33 H GLU 33 -3.281 -5.246 -10.005 251 HA GLU 33 HA GLU 33 -1.266 -3.113 -10.748 252 1HB GLU 33 2HB GLU 33 -4.258 -2.975 -11.286 253 2HB GLU 33 3HB GLU 33 -3.072 -1.674 -11.459 254 1HG GLU 33 2HG GLU 33 -1.796 -3.312 -13.043 255 2HG GLU 33 3HG GLU 33 -3.324 -4.208 -13.104 256 H ALA 34 H ALA 34 -0.736 -1.874 -9.034 257 HA ALA 34 HA ALA 34 -2.787 -1.477 -6.921 258 1HB ALA 34 1HB ALA 34 0.173 -1.978 -6.435 259 2HB ALA 34 2HB ALA 34 -1.098 -1.690 -5.218 260 3HB ALA 34 3HB ALA 34 -1.094 -3.192 -6.166 261 H ILE 35 H ILE 35 -2.888 0.640 -6.237 262 HA ILE 35 HA ILE 35 -0.824 2.532 -7.393 263 HB ILE 35 HB ILE 35 -3.840 2.876 -7.489 264 1HG1 ILE 35 2HG1 ILE 35 -1.930 2.743 -9.853 265 2HG1 ILE 35 3HG1 ILE 35 -2.729 1.296 -9.237 266 1HG2 ILE 35 1HG2 ILE 35 -1.574 4.710 -8.385 267 2HG2 ILE 35 2HG2 ILE 35 -3.297 4.990 -8.698 268 3HG2 ILE 35 3HG2 ILE 35 -2.697 5.013 -7.043 269 1HD1 ILE 35 1HD1 ILE 35 -4.938 2.257 -9.590 270 2HD1 ILE 35 2HD1 ILE 35 -4.207 3.717 -10.296 271 3HD1 ILE 35 3HD1 ILE 35 -3.990 2.146 -11.083 272 H VAL 36 H VAL 36 0.241 3.322 -5.561 273 HA VAL 36 HA VAL 36 -1.397 3.685 -3.128 274 HB VAL 36 HB VAL 36 0.678 2.406 -3.062 275 1HG1 VAL 36 1HG1 VAL 36 2.255 4.983 -3.332 276 2HG1 VAL 36 2HG1 VAL 36 2.819 3.318 -3.253 277 3HG1 VAL 36 3HG1 VAL 36 1.985 3.893 -4.707 278 1HG2 VAL 36 1HG2 VAL 36 1.610 3.706 -1.077 279 2HG2 VAL 36 2HG2 VAL 36 0.413 4.954 -1.452 280 3HG2 VAL 36 3HG2 VAL 36 -0.120 3.324 -1.022 281 H ASN 37 H ASN 37 -2.524 5.665 -2.957 282 HA ASN 37 HA ASN 37 -1.108 8.123 -3.895 283 1HB ASN 37 2HB ASN 37 -3.728 7.784 -2.416 284 2HB ASN 37 3HB ASN 37 -2.984 9.305 -2.905 285 1HD2 ASN 37 1HD2 ASN 37 -4.274 10.139 -4.511 286 2HD2 ASN 37 2HD2 ASN 37 -4.745 9.227 -5.935 287 H PHE 38 H PHE 38 0.746 7.343 -2.514 288 HA PHE 38 HA PHE 38 0.401 7.490 0.383 289 1HB PHE 38 2HB PHE 38 2.296 6.314 -1.282 290 2HB PHE 38 3HB PHE 38 3.160 7.674 -0.626 291 HD1 PHE 38 1HD PHE 38 0.693 5.154 0.765 292 HD2 PHE 38 2HD PHE 38 4.518 7.103 1.231 293 HE1 PHE 38 1HE PHE 38 1.364 3.474 2.435 294 HE2 PHE 38 2HE PHE 38 5.047 5.538 3.093 295 HZ PHE 38 HZ PHE 38 3.523 3.703 3.641 296 H GLY 39 H GLY 39 -0.736 9.590 0.018 297 1HA GLY 39 1HA GLY 39 0.994 11.750 0.978 298 2HA GLY 39 2HA GLY 39 0.269 12.046 -0.617 299 H ALA 40 H ALA 40 -0.916 10.349 2.274 300 HA ALA 40 HA ALA 40 -2.571 10.717 3.784 301 1HB ALA 40 1HB ALA 40 -1.725 13.025 4.019 302 2HB ALA 40 2HB ALA 40 -2.795 13.563 2.707 303 3HB ALA 40 3HB ALA 40 -3.487 12.918 4.201 304 H SER 41 H SER 41 -3.306 9.100 2.131 305 HA SER 41 HA SER 41 -6.008 9.679 1.307 306 1HB SER 41 2HB SER 41 -3.803 9.594 -0.742 307 2HB SER 41 3HB SER 41 -5.435 9.027 -1.162 308 HG SER 41 HG SER 41 -5.027 11.538 0.036 309 H LYS 42 H LYS 42 -4.461 7.281 -0.633 310 HA LYS 42 HA LYS 42 -5.259 5.113 1.105 311 1HB LYS 42 2HB LYS 42 -7.213 4.446 -0.239 312 2HB LYS 42 3HB LYS 42 -7.408 5.943 0.657 313 1HG LYS 42 2HG LYS 42 -6.748 7.094 -1.654 314 2HG LYS 42 3HG LYS 42 -7.232 5.523 -2.322 315 1HD LYS 42 2HD LYS 42 -9.350 5.720 -0.897 316 2HD LYS 42 3HD LYS 42 -8.861 7.364 -0.493 317 1HE LYS 42 2HE LYS 42 -9.536 6.296 -3.282 318 2HE LYS 42 3HE LYS 42 -10.589 7.277 -2.256 319 1HZ LYS 42 1HZ LYS 42 -8.972 9.057 -2.389 320 2HZ LYS 42 2HZ LYS 42 -8.021 8.158 -3.396 321 3HZ LYS 42 3HZ LYS 42 -9.522 8.626 -3.877 322 H ILE 43 H ILE 43 -5.054 3.079 0.140 323 HA ILE 43 HA ILE 43 -3.187 2.993 -2.180 324 HB ILE 43 HB ILE 43 -2.046 2.566 -0.126 325 1HG1 ILE 43 2HG1 ILE 43 -1.381 1.285 -2.222 326 2HG1 ILE 43 3HG1 ILE 43 -0.814 0.658 -0.683 327 1HG2 ILE 43 1HG2 ILE 43 -2.444 0.611 1.286 328 2HG2 ILE 43 2HG2 ILE 43 -3.751 1.796 1.366 329 3HG2 ILE 43 3HG2 ILE 43 -3.966 0.292 0.451 330 1HD1 ILE 43 1HD1 ILE 43 -3.189 -0.500 -2.129 331 2HD1 ILE 43 2HD1 ILE 43 -1.535 -1.121 -2.163 332 3HD1 ILE 43 3HD1 ILE 43 -2.444 -1.109 -0.643 333 H THR 44 H THR 44 -4.084 2.155 -3.914 334 HA THR 44 HA THR 44 -6.412 0.346 -3.706 335 HB THR 44 HB THR 44 -5.047 1.726 -6.018 336 HG1 THR 44 1HG THR 44 -7.246 2.441 -6.145 337 1HG2 THR 44 1HG2 THR 44 -5.829 -0.437 -6.911 338 2HG2 THR 44 2HG2 THR 44 -7.399 -0.213 -6.105 339 3HG2 THR 44 3HG2 THR 44 -6.904 0.846 -7.439 340 H VAL 45 H VAL 45 -6.419 -1.649 -4.430 341 HA VAL 45 HA VAL 45 -3.963 -2.987 -5.372 342 HB VAL 45 HB VAL 45 -5.657 -3.547 -2.923 343 1HG1 VAL 45 1HG1 VAL 45 -4.348 -5.827 -4.441 344 2HG1 VAL 45 2HG1 VAL 45 -4.960 -5.891 -2.784 345 3HG1 VAL 45 3HG1 VAL 45 -6.085 -5.621 -4.116 346 1HG2 VAL 45 1HG2 VAL 45 -3.526 -4.110 -1.912 347 2HG2 VAL 45 2HG2 VAL 45 -2.714 -4.087 -3.493 348 3HG2 VAL 45 3HG2 VAL 45 -3.374 -2.592 -2.812 349 H THR 46 H THR 46 -4.491 -4.146 -7.235 350 HA THR 46 HA THR 46 -7.174 -5.326 -7.478 351 HB THR 46 HB THR 46 -5.803 -3.547 -9.570 352 HG1 THR 46 1HG THR 46 -7.459 -3.312 -7.596 353 1HG2 THR 46 1HG2 THR 46 -6.908 -5.450 -10.729 354 2HG2 THR 46 2HG2 THR 46 -8.390 -5.164 -9.789 355 3HG2 THR 46 3HG2 THR 46 -7.822 -3.948 -10.948 356 H GLY 47 H GLY 47 -7.053 -7.304 -8.215 357 1HA GLY 47 1HA GLY 47 -5.405 -8.371 -10.091 358 2HA GLY 47 2HA GLY 47 -4.317 -8.372 -8.730 359 H GLU 48 H GLU 48 -4.600 -9.711 -6.944 360 HA GLU 48 HA GLU 48 -7.110 -10.893 -6.254 361 1HB GLU 48 2HB GLU 48 -6.138 -12.497 -8.100 362 2HB GLU 48 3HB GLU 48 -4.942 -12.927 -6.883 363 1HG GLU 48 2HG GLU 48 -7.314 -13.150 -5.446 364 2HG GLU 48 3HG GLU 48 -7.855 -13.563 -7.076 365 H ALA 49 H ALA 49 -5.761 -9.101 -4.775 366 HA ALA 49 HA ALA 49 -4.544 -10.688 -2.567 367 1HB ALA 49 1HB ALA 49 -3.291 -8.380 -4.082 368 2HB ALA 49 2HB ALA 49 -2.769 -8.827 -2.449 369 3HB ALA 49 3HB ALA 49 -2.625 -10.001 -3.763 370 H SER 50 H SER 50 -4.012 -9.112 -0.709 371 HA SER 50 HA SER 50 -6.206 -7.166 -0.275 372 1HB SER 50 2HB SER 50 -5.462 -9.559 1.474 373 2HB SER 50 3HB SER 50 -6.430 -8.201 2.056 374 HG SER 50 HG SER 50 -7.115 -9.670 -0.276 375 H ILE 51 H ILE 51 -5.803 -5.867 1.717 376 HA ILE 51 HA ILE 51 -3.374 -4.560 1.594 377 HB ILE 51 HB ILE 51 -5.431 -3.723 2.704 378 1HG1 ILE 51 2HG1 ILE 51 -3.520 -2.397 2.726 379 2HG1 ILE 51 3HG1 ILE 51 -4.495 -2.247 4.186 380 1HG2 ILE 51 1HG2 ILE 51 -5.887 -5.627 4.236 381 2HG2 ILE 51 2HG2 ILE 51 -4.442 -5.203 5.180 382 3HG2 ILE 51 3HG2 ILE 51 -5.794 -4.070 5.083 383 1HD1 ILE 51 1HD1 ILE 51 -2.333 -2.243 5.079 384 2HD1 ILE 51 2HD1 ILE 51 -2.740 -3.931 5.229 385 3HD1 ILE 51 3HD1 ILE 51 -1.728 -3.353 3.878 386 H GLN 52 H GLN 52 -4.103 -7.291 3.785 387 HA GLN 52 HA GLN 52 -2.136 -7.456 5.550 388 1HB GLN 52 2HB GLN 52 -3.106 -9.617 3.685 389 2HB GLN 52 3HB GLN 52 -2.053 -9.963 5.061 390 1HG GLN 52 2HG GLN 52 -4.599 -8.367 5.544 391 2HG GLN 52 3HG GLN 52 -4.673 -10.112 5.307 392 1HE2 GLN 52 1HE2 GLN 52 -3.252 -7.542 7.483 393 2HE2 GLN 52 2HE2 GLN 52 -3.006 -8.673 8.780 394 H GLN 53 H GLN 53 -1.493 -8.212 2.118 395 HA GLN 53 HA GLN 53 1.309 -8.888 2.609 396 1HB GLN 53 2HB GLN 53 -0.129 -8.149 0.032 397 2HB GLN 53 3HB GLN 53 1.509 -8.824 0.164 398 1HG GLN 53 2HG GLN 53 0.604 -10.845 1.280 399 2HG GLN 53 3HG GLN 53 -1.039 -10.204 1.148 400 1HE2 GLN 53 1HE2 GLN 53 1.055 -12.348 -0.319 401 2HE2 GLN 53 2HE2 GLN 53 0.357 -12.321 -1.926 402 H VAL 54 H VAL 54 -0.397 -5.973 1.549 403 HA VAL 54 HA VAL 54 1.912 -4.289 1.204 404 HB VAL 54 HB VAL 54 -1.001 -3.462 1.636 405 1HG1 VAL 54 1HG1 VAL 54 0.302 -1.617 2.014 406 2HG1 VAL 54 2HG1 VAL 54 1.477 -2.004 0.757 407 3HG1 VAL 54 3HG1 VAL 54 -0.166 -1.480 0.315 408 1HG2 VAL 54 1HG2 VAL 54 0.466 -4.407 -0.833 409 2HG2 VAL 54 2HG2 VAL 54 -1.108 -4.903 -0.210 410 3HG2 VAL 54 3HG2 VAL 54 -0.922 -3.297 -0.916 411 H GLU 55 H GLU 55 -0.200 -5.240 3.844 412 HA GLU 55 HA GLU 55 0.436 -3.345 5.810 413 1HB GLU 55 2HB GLU 55 -1.220 -5.452 5.655 414 2HB GLU 55 3HB GLU 55 0.021 -6.198 6.658 415 1HG GLU 55 2HG GLU 55 -0.226 -4.397 8.311 416 2HG GLU 55 3HG GLU 55 -1.443 -3.604 7.291 417 H GLN 56 H GLN 56 1.726 -6.633 5.172 418 HA GLN 56 HA GLN 56 3.921 -6.572 6.912 419 1HB GLN 56 2HB GLN 56 2.939 -8.546 5.742 420 2HB GLN 56 3HB GLN 56 3.787 -8.090 4.262 421 1HG GLN 56 2HG GLN 56 5.337 -8.424 6.863 422 2HG GLN 56 3HG GLN 56 4.764 -9.842 5.992 423 1HE2 GLN 56 1HE2 GLN 56 6.837 -6.892 5.535 424 2HE2 GLN 56 2HE2 GLN 56 7.833 -7.689 4.325 425 H ALA 57 H ALA 57 3.823 -5.636 3.401 426 HA ALA 57 HA ALA 57 6.461 -4.767 3.108 427 1HB ALA 57 1HB ALA 57 4.998 -4.755 1.210 428 2HB ALA 57 2HB ALA 57 3.839 -3.694 2.017 429 3HB ALA 57 3HB ALA 57 5.369 -3.032 1.537 430 H GLY 58 H GLY 58 3.644 -2.905 4.423 431 1HA GLY 58 1HA GLY 58 5.030 -0.494 4.809 432 2HA GLY 58 2HA GLY 58 3.509 -1.007 5.591 433 H ALA 59 H ALA 59 5.398 -3.433 6.607 434 HA ALA 59 HA ALA 59 5.918 -2.572 9.191 435 1HB ALA 59 1HB ALA 59 7.511 -4.410 9.332 436 2HB ALA 59 2HB ALA 59 6.055 -4.914 8.451 437 3HB ALA 59 3HB ALA 59 7.560 -4.545 7.563 438 H PHE 60 H PHE 60 7.854 -1.847 6.255 439 HA PHE 60 HA PHE 60 10.211 -1.117 7.641 440 1HB PHE 60 2HB PHE 60 10.962 0.004 5.769 441 2HB PHE 60 3HB PHE 60 10.080 -1.405 5.196 442 HD1 PHE 60 1HD PHE 60 8.342 -1.108 3.552 443 HD2 PHE 60 2HD PHE 60 9.925 2.335 5.608 444 HE1 PHE 60 1HE PHE 60 6.914 0.360 2.182 445 HE2 PHE 60 2HE PHE 60 8.531 3.808 4.194 446 HZ PHE 60 HZ PHE 60 7.018 2.846 2.488 447 H GLU 61 H GLU 61 7.181 0.652 7.390 448 HA GLU 61 HA GLU 61 8.374 2.863 9.031 449 1HB GLU 61 2HB GLU 61 8.202 3.586 6.772 450 2HB GLU 61 3HB GLU 61 6.533 3.070 6.628 451 1HG GLU 61 2HG GLU 61 5.877 4.864 8.233 452 2HG GLU 61 3HG GLU 61 7.583 5.302 8.420 453 H HIS 62 H HIS 62 6.026 0.392 8.973 454 HA HIS 62 HA HIS 62 4.456 -0.212 10.461 455 1HB HIS 62 2HB HIS 62 5.421 2.062 12.245 456 2HB HIS 62 3HB HIS 62 4.366 0.732 12.694 457 HD1 HIS 62 1HD HIS 62 7.129 -0.788 10.723 458 HD2 HIS 62 2HD HIS 62 6.498 0.694 14.618 459 HE1 HIS 62 1HE HIS 62 8.885 -1.849 12.194 460 H LEU 63 H LEU 63 3.265 0.791 8.455 461 HA LEU 63 HA LEU 63 1.671 3.175 9.175 462 1HB LEU 63 2HB LEU 63 1.427 1.383 6.738 463 2HB LEU 63 3HB LEU 63 0.630 2.929 7.022 464 HG LEU 63 HG LEU 63 2.351 3.423 5.582 465 1HD1 LEU 63 1HD1 LEU 63 3.491 4.160 8.319 466 2HD1 LEU 63 2HD1 LEU 63 3.860 4.932 6.784 467 3HD1 LEU 63 3HD1 LEU 63 2.214 5.044 7.452 468 1HD2 LEU 63 1HD2 LEU 63 4.556 2.669 5.581 469 2HD2 LEU 63 2HD2 LEU 63 4.531 2.228 7.295 470 3HD2 LEU 63 3HD2 LEU 63 3.647 1.247 6.124 471 H LYS 64 H LYS 64 -0.774 2.994 8.750 472 HA LYS 64 HA LYS 64 -1.872 0.627 10.201 473 1HB LYS 64 2HB LYS 64 -3.116 2.199 11.643 474 2HB LYS 64 3HB LYS 64 -1.389 2.136 11.976 475 1HG LYS 64 2HG LYS 64 -2.542 4.315 10.198 476 2HG LYS 64 3HG LYS 64 -2.645 4.442 11.941 477 1HD LYS 64 2HD LYS 64 0.063 3.847 10.743 478 2HD LYS 64 3HD LYS 64 -0.629 5.439 10.521 479 1HE LYS 64 2HE LYS 64 -0.746 5.760 12.947 480 2HE LYS 64 3HE LYS 64 -0.334 4.059 13.236 481 1HZ LYS 64 1HZ LYS 64 1.562 5.487 13.535 482 2HZ LYS 64 2HZ LYS 64 1.831 4.458 12.277 483 3HZ LYS 64 3HZ LYS 64 1.461 6.039 11.992 484 H ILE 65 H ILE 65 -2.399 0.245 7.920 485 HA ILE 65 HA ILE 65 -4.199 2.097 6.644 486 HB ILE 65 HB ILE 65 -3.822 -0.744 5.739 487 1HG1 ILE 65 2HG1 ILE 65 -1.798 1.479 5.550 488 2HG1 ILE 65 3HG1 ILE 65 -1.621 -0.216 6.061 489 1HG2 ILE 65 1HG2 ILE 65 -5.510 0.751 4.655 490 2HG2 ILE 65 2HG2 ILE 65 -4.185 1.770 4.102 491 3HG2 ILE 65 3HG2 ILE 65 -4.313 0.102 3.544 492 1HD1 ILE 65 1HD1 ILE 65 -1.431 0.945 3.365 493 2HD1 ILE 65 2HD1 ILE 65 -0.670 -0.487 4.092 494 3HD1 ILE 65 3HD1 ILE 65 -2.291 -0.604 3.450 495 H ILE 66 H ILE 66 -6.443 1.996 6.511 496 HA ILE 66 HA ILE 66 -7.827 -0.178 8.038 497 HB ILE 66 HB ILE 66 -8.558 2.750 7.732 498 1HG1 ILE 66 2HG1 ILE 66 -8.308 1.934 10.484 499 2HG1 ILE 66 3HG1 ILE 66 -6.852 1.390 9.664 500 1HG2 ILE 66 1HG2 ILE 66 -10.373 2.296 9.322 501 2HG2 ILE 66 2HG2 ILE 66 -10.592 1.368 7.838 502 3HG2 ILE 66 3HG2 ILE 66 -9.980 0.567 9.304 503 1HD1 ILE 66 1HD1 ILE 66 -7.978 4.223 9.633 504 2HD1 ILE 66 2HD1 ILE 66 -6.555 3.656 10.533 505 3HD1 ILE 66 3HD1 ILE 66 -6.520 3.696 8.757 506 HA PRO 67 HA PRO 67 -9.900 -0.661 3.990 507 1HB PRO 67 2HB PRO 67 -11.970 -2.289 4.737 508 2HB PRO 67 3HB PRO 67 -10.302 -2.876 4.527 509 1HG PRO 67 2HG PRO 67 -11.675 -2.110 7.105 510 2HG PRO 67 3HG PRO 67 -10.694 -3.566 6.772 511 1HD PRO 67 2HD PRO 67 -9.682 -1.384 8.026 512 2HD PRO 67 3HD PRO 67 -8.674 -2.329 6.893 513 H GLU 68 H GLU 68 -10.599 1.475 3.666 514 HA GLU 68 HA GLU 68 -12.581 2.818 5.117 515 1HB GLU 68 2HB GLU 68 -10.932 3.460 2.997 516 2HB GLU 68 3HB GLU 68 -12.462 3.236 2.146 517 1HG GLU 68 2HG GLU 68 -13.517 4.829 3.754 518 2HG GLU 68 3HG GLU 68 -11.937 5.072 4.527 519 H LYS 69 H LYS 69 -14.832 2.832 4.936 520 HA LYS 69 HA LYS 69 -16.134 0.457 4.011 521 1HB LYS 69 2HB LYS 69 -16.828 2.890 5.472 522 2HB LYS 69 3HB LYS 69 -18.015 2.649 4.204 523 1HG LYS 69 2HG LYS 69 -17.240 0.575 6.302 524 2HG LYS 69 3HG LYS 69 -18.654 1.643 6.343 525 1HD LYS 69 2HD LYS 69 -19.270 0.645 4.024 526 2HD LYS 69 3HD LYS 69 -18.083 -0.622 4.384 527 1HE LYS 69 2HE LYS 69 -19.325 -1.099 6.535 528 2HE LYS 69 3HE LYS 69 -20.541 0.099 6.056 529 1HZ LYS 69 1HZ LYS 69 -20.966 -1.230 4.089 530 2HZ LYS 69 2HZ LYS 69 -19.860 -2.348 4.561 531 3HZ LYS 69 3HZ LYS 69 -21.222 -2.106 5.462 532 H GLU 70 H GLU 70 -17.381 0.076 2.113 533 HA GLU 70 HA GLU 70 -16.842 1.262 -0.305 534 1HB GLU 70 2HB GLU 70 -19.393 -0.016 0.776 535 2HB GLU 70 3HB GLU 70 -19.215 0.486 -0.906 536 1HG GLU 70 2HG GLU 70 -18.737 -1.863 -0.777 537 2HG GLU 70 3HG GLU 70 -17.250 -0.997 -1.171 538 H ALA 71 H ALA 71 -17.778 2.868 -1.625 539 HA ALA 71 HA ALA 71 -19.886 4.590 -0.809 540 1HB ALA 71 1HB ALA 71 -18.476 6.644 -0.931 541 2HB ALA 71 2HB ALA 71 -18.012 5.648 0.468 542 3HB ALA 71 3HB ALA 71 -17.012 5.638 -1.003 Start of MODEL 13 1 1H MET 1 H1 MET 1 -13.567 -13.084 -12.273 2 2H MET 1 H2 MET 1 -14.991 -12.915 -13.090 3 3H MET 1 H3 MET 1 -13.540 -12.406 -13.755 4 HA MET 1 HA MET 1 -14.777 -10.528 -13.001 5 1HB MET 1 2HB MET 1 -14.849 -10.255 -10.430 6 2HB MET 1 3HB MET 1 -16.051 -11.278 -11.192 7 1HG MET 1 2HG MET 1 -13.518 -12.500 -10.043 8 2HG MET 1 3HG MET 1 -14.914 -12.101 -9.043 9 1HE MET 1 1HE MET 1 -14.536 -14.461 -8.326 10 2HE MET 1 2HE MET 1 -15.523 -15.775 -9.006 11 3HE MET 1 3HE MET 1 -13.873 -15.499 -9.615 12 H ALA 2 H ALA 2 -13.486 -8.994 -11.078 13 HA ALA 2 HA ALA 2 -10.602 -9.479 -11.286 14 1HB ALA 2 1HB ALA 2 -11.951 -6.967 -12.400 15 2HB ALA 2 2HB ALA 2 -10.206 -7.193 -12.164 16 3HB ALA 2 3HB ALA 2 -11.076 -8.187 -13.352 17 H GLU 3 H GLU 3 -10.212 -9.366 -9.142 18 HA GLU 3 HA GLU 3 -11.485 -7.614 -7.318 19 1HB GLU 3 2HB GLU 3 -9.013 -9.384 -7.108 20 2HB GLU 3 3HB GLU 3 -9.792 -8.535 -5.767 21 1HG GLU 3 2HG GLU 3 -10.797 -10.583 -5.587 22 2HG GLU 3 3HG GLU 3 -11.997 -9.746 -6.561 23 H LYS 4 H LYS 4 -11.199 -5.560 -7.120 24 HA LYS 4 HA LYS 4 -8.544 -4.371 -7.041 25 1HB LYS 4 2HB LYS 4 -9.146 -2.354 -8.023 26 2HB LYS 4 3HB LYS 4 -9.590 -3.561 -9.209 27 1HG LYS 4 2HG LYS 4 -11.800 -2.597 -7.365 28 2HG LYS 4 3HG LYS 4 -11.081 -1.403 -8.422 29 1HD LYS 4 2HD LYS 4 -13.085 -2.379 -9.390 30 2HD LYS 4 3HD LYS 4 -11.659 -2.666 -10.410 31 1HE LYS 4 2HE LYS 4 -11.467 -4.931 -9.703 32 2HE LYS 4 3HE LYS 4 -12.602 -4.704 -8.348 33 1HZ LYS 4 1HZ LYS 4 -13.455 -5.925 -10.138 34 2HZ LYS 4 2HZ LYS 4 -14.385 -4.584 -9.844 35 3HZ LYS 4 3HZ LYS 4 -13.389 -4.640 -11.173 36 H THR 5 H THR 5 -8.420 -2.830 -5.235 37 HA THR 5 HA THR 5 -10.874 -2.295 -3.756 38 HB THR 5 HB THR 5 -8.639 -3.948 -2.436 39 HG1 THR 5 1HG THR 5 -10.984 -4.423 -3.655 40 1HG2 THR 5 1HG2 THR 5 -11.311 -2.877 -1.364 41 2HG2 THR 5 2HG2 THR 5 -10.311 -4.077 -0.537 42 3HG2 THR 5 3HG2 THR 5 -9.700 -2.433 -0.758 43 H VAL 6 H VAL 6 -10.465 -0.601 -2.200 44 HA VAL 6 HA VAL 6 -7.721 0.154 -2.067 45 HB VAL 6 HB VAL 6 -8.511 1.565 -3.769 46 1HG1 VAL 6 1HG1 VAL 6 -10.868 1.322 -3.672 47 2HG1 VAL 6 2HG1 VAL 6 -10.958 2.301 -2.182 48 3HG1 VAL 6 3HG1 VAL 6 -10.432 3.026 -3.726 49 1HG2 VAL 6 1HG2 VAL 6 -8.300 3.845 -2.939 50 2HG2 VAL 6 2HG2 VAL 6 -8.799 3.348 -1.305 51 3HG2 VAL 6 3HG2 VAL 6 -7.235 2.835 -1.962 52 H TYR 7 H TYR 7 -7.043 1.266 -0.268 53 HA TYR 7 HA TYR 7 -8.808 0.929 2.119 54 1HB TYR 7 2HB TYR 7 -5.870 0.173 1.874 55 2HB TYR 7 3HB TYR 7 -6.939 -0.092 3.249 56 HD1 TYR 7 HD1 TYR 7 -7.840 -2.236 3.544 57 HD2 TYR 7 HD2 TYR 7 -6.318 -1.123 -0.316 58 HE1 TYR 7 HE1 TYR 7 -8.319 -4.520 2.697 59 HE2 TYR 7 HE2 TYR 7 -6.722 -3.411 -1.137 60 HH TYR 7 HH TYR 7 -7.804 -5.441 -0.702 61 H ARG 8 H ARG 8 -8.239 2.438 3.824 62 HA ARG 8 HA ARG 8 -6.893 4.867 2.752 63 1HB ARG 8 2HB ARG 8 -8.857 4.332 4.936 64 2HB ARG 8 3HB ARG 8 -7.592 5.519 5.279 65 1HG ARG 8 2HG ARG 8 -8.112 6.711 3.132 66 2HG ARG 8 3HG ARG 8 -9.399 5.550 2.825 67 1HD ARG 8 2HD ARG 8 -10.314 7.586 3.786 68 2HD ARG 8 3HD ARG 8 -10.481 6.277 4.974 69 HE ARG 8 HE ARG 8 -7.959 7.506 5.432 70 1HH1 ARG 8 2HH2 ARG 8 -11.315 8.458 5.610 71 2HH1 ARG 8 1HH2 ARG 8 -11.092 9.650 6.857 72 1HH2 ARG 8 2HH1 ARG 8 -7.566 8.891 7.154 73 2HH2 ARG 8 1HH1 ARG 8 -8.823 9.950 7.732 74 H VAL 9 H VAL 9 -4.909 5.448 3.330 75 HA VAL 9 HA VAL 9 -3.498 3.969 5.492 76 HB VAL 9 HB VAL 9 -2.471 3.236 3.452 77 1HG1 VAL 9 1HG1 VAL 9 -2.287 6.159 2.579 78 2HG1 VAL 9 2HG1 VAL 9 -1.525 4.779 1.771 79 3HG1 VAL 9 3HG1 VAL 9 -3.282 4.889 1.841 80 1HG2 VAL 9 1HG2 VAL 9 -0.291 3.887 3.744 81 2HG2 VAL 9 2HG2 VAL 9 -0.727 5.476 4.440 82 3HG2 VAL 9 3HG2 VAL 9 -1.018 3.974 5.358 83 H ASP 10 H ASP 10 -2.528 5.273 7.008 84 HA ASP 10 HA ASP 10 -2.399 8.174 6.584 85 1HB ASP 10 2HB ASP 10 -4.362 6.771 8.428 86 2HB ASP 10 3HB ASP 10 -3.494 8.170 9.049 87 H GLY 11 H GLY 11 -0.933 9.065 8.175 88 1HA GLY 11 1HA GLY 11 0.485 8.525 10.171 89 2HA GLY 11 2HA GLY 11 0.950 7.032 9.352 90 H LEU 12 H LEU 12 2.034 7.264 7.190 91 HA LEU 12 HA LEU 12 4.143 9.250 7.538 92 1HB LEU 12 2HB LEU 12 5.477 7.927 6.262 93 2HB LEU 12 3HB LEU 12 4.366 6.732 6.924 94 HG LEU 12 HG LEU 12 3.057 6.880 4.756 95 1HD1 LEU 12 1HD1 LEU 12 3.760 8.718 3.484 96 2HD1 LEU 12 2HD1 LEU 12 5.483 8.517 3.947 97 3HD1 LEU 12 3HD1 LEU 12 4.705 7.448 2.776 98 1HD2 LEU 12 1HD2 LEU 12 4.958 5.462 3.644 99 2HD2 LEU 12 2HD2 LEU 12 5.865 5.798 5.127 100 3HD2 LEU 12 3HD2 LEU 12 4.279 4.996 5.161 101 H SER 13 H SER 13 4.991 10.504 5.646 102 HA SER 13 HA SER 13 3.057 11.161 3.515 103 1HB SER 13 2HB SER 13 2.271 12.650 5.238 104 2HB SER 13 3HB SER 13 3.925 13.117 5.678 105 HG SER 13 HG SER 13 4.154 14.066 3.649 106 H CYS 14 H CYS 14 4.894 10.059 2.292 107 HA CYS 14 HA CYS 14 6.621 12.138 1.276 108 1HB CYS 14 2HB CYS 14 7.916 11.313 3.313 109 2HB CYS 14 3HB CYS 14 7.987 9.719 2.531 110 HG CYS 14 HG CYS 14 9.048 12.666 1.503 111 H THR 15 H THR 15 7.453 11.681 -0.776 112 HA THR 15 HA THR 15 6.061 9.804 -2.329 113 HB THR 15 HB THR 15 8.594 11.308 -3.088 114 HG1 THR 15 1HG THR 15 7.022 12.973 -3.596 115 1HG2 THR 15 1HG2 THR 15 6.103 10.479 -4.659 116 2HG2 THR 15 2HG2 THR 15 7.462 11.426 -5.298 117 3HG2 THR 15 3HG2 THR 15 7.713 9.744 -4.804 118 H ASN 16 H ASN 16 9.540 9.853 -1.274 119 HA ASN 16 HA ASN 16 10.408 7.618 -2.628 120 1HB ASN 16 2HB ASN 16 11.200 8.566 0.158 121 2HB ASN 16 3HB ASN 16 12.093 7.367 -0.788 122 1HD2 ASN 16 1HD2 ASN 16 13.830 8.221 -1.909 123 2HD2 ASN 16 2HD2 ASN 16 13.891 9.868 -2.506 124 H CYS 17 H CYS 17 8.755 7.796 0.499 125 HA CYS 17 HA CYS 17 8.736 5.006 1.165 126 1HB CYS 17 2HB CYS 17 6.974 7.376 1.859 127 2HB CYS 17 3HB CYS 17 6.517 5.717 2.268 128 HG CYS 17 HG CYS 17 9.361 7.197 3.004 129 H ALA 18 H ALA 18 6.513 7.041 -0.806 130 HA ALA 18 HA ALA 18 4.600 4.993 -1.381 131 1HB ALA 18 1HB ALA 18 5.104 7.727 -2.256 132 2HB ALA 18 2HB ALA 18 4.715 6.687 -3.637 133 3HB ALA 18 3HB ALA 18 3.612 6.799 -2.260 134 H ALA 19 H ALA 19 7.530 6.021 -3.146 135 HA ALA 19 HA ALA 19 7.364 4.147 -5.263 136 1HB ALA 19 1HB ALA 19 9.029 5.977 -5.170 137 2HB ALA 19 2HB ALA 19 9.913 5.109 -3.897 138 3HB ALA 19 3HB ALA 19 9.770 4.401 -5.511 139 H LYS 20 H LYS 20 8.837 3.794 -2.014 140 HA LYS 20 HA LYS 20 9.654 1.101 -2.377 141 1HB LYS 20 2HB LYS 20 10.155 2.934 -0.518 142 2HB LYS 20 3HB LYS 20 8.854 2.109 0.348 143 1HG LYS 20 2HG LYS 20 10.130 0.011 0.323 144 2HG LYS 20 3HG LYS 20 11.252 0.661 -0.880 145 1HD LYS 20 2HD LYS 20 12.434 0.733 1.165 146 2HD LYS 20 3HD LYS 20 12.011 2.399 0.743 147 1HE LYS 20 2HE LYS 20 9.955 2.097 2.293 148 2HE LYS 20 3HE LYS 20 10.701 0.573 2.805 149 1HZ LYS 20 1HZ LYS 20 11.828 3.280 3.108 150 2HZ LYS 20 2HZ LYS 20 11.182 2.355 4.295 151 3HZ LYS 20 3HZ LYS 20 12.587 1.891 3.575 152 H PHE 21 H PHE 21 6.614 2.438 -1.027 153 HA PHE 21 HA PHE 21 5.329 0.000 -0.430 154 1HB PHE 21 2HB PHE 21 4.654 2.707 -0.350 155 2HB PHE 21 3HB PHE 21 3.561 2.096 -1.560 156 HD1 PHE 21 1HD PHE 21 4.816 0.652 1.717 157 HD2 PHE 21 2HD PHE 21 1.432 2.012 -0.576 158 HE1 PHE 21 1HE PHE 21 3.455 0.747 3.766 159 HE2 PHE 21 2HE PHE 21 0.119 2.224 1.505 160 HZ PHE 21 HZ PHE 21 1.173 1.694 3.689 161 H GLU 22 H GLU 22 4.882 1.946 -3.502 162 HA GLU 22 HA GLU 22 3.210 -0.040 -4.580 163 1HB GLU 22 2HB GLU 22 3.574 1.024 -6.768 164 2HB GLU 22 3HB GLU 22 3.056 2.095 -5.480 165 1HG GLU 22 2HG GLU 22 4.715 3.494 -6.042 166 2HG GLU 22 3HG GLU 22 5.878 2.309 -5.457 167 H ARG 23 H ARG 23 6.745 0.410 -4.903 168 HA ARG 23 HA ARG 23 7.311 -1.778 -6.645 169 1HB ARG 23 2HB ARG 23 8.957 -0.044 -5.887 170 2HB ARG 23 3HB ARG 23 8.927 -0.758 -4.264 171 1HG ARG 23 2HG ARG 23 9.652 -2.984 -5.464 172 2HG ARG 23 3HG ARG 23 10.003 -1.954 -6.844 173 1HD ARG 23 2HD ARG 23 11.217 -0.767 -4.456 174 2HD ARG 23 3HD ARG 23 11.513 -2.492 -4.428 175 HE ARG 23 HE ARG 23 12.947 -2.350 -6.175 176 1HH1 ARG 23 2HH2 ARG 23 10.981 0.553 -6.112 177 2HH1 ARG 23 1HH2 ARG 23 11.928 1.459 -7.252 178 1HH2 ARG 23 2HH1 ARG 23 14.250 -1.218 -7.733 179 2HH2 ARG 23 1HH1 ARG 23 13.841 0.396 -8.218 180 H ASN 24 H ASN 24 7.175 -1.707 -3.019 181 HA ASN 24 HA ASN 24 7.723 -4.451 -2.595 182 1HB ASN 24 2HB ASN 24 5.995 -2.471 -1.030 183 2HB ASN 24 3HB ASN 24 6.229 -4.149 -0.557 184 1HD2 ASN 24 1HD2 ASN 24 6.876 -2.482 1.303 185 2HD2 ASN 24 2HD2 ASN 24 8.606 -2.533 1.532 186 H VAL 25 H VAL 25 4.616 -2.777 -3.131 187 HA VAL 25 HA VAL 25 2.990 -5.114 -3.050 188 HB VAL 25 HB VAL 25 2.512 -2.493 -4.540 189 1HG1 VAL 25 1HG1 VAL 25 0.751 -4.877 -3.850 190 2HG1 VAL 25 2HG1 VAL 25 0.070 -3.267 -4.004 191 3HG1 VAL 25 3HG1 VAL 25 0.896 -4.000 -5.398 192 1HG2 VAL 25 1HG2 VAL 25 1.239 -1.856 -2.554 193 2HG2 VAL 25 2HG2 VAL 25 1.547 -3.452 -1.838 194 3HG2 VAL 25 3HG2 VAL 25 2.854 -2.307 -2.000 195 H LYS 26 H LYS 26 4.498 -3.495 -5.919 196 HA LYS 26 HA LYS 26 3.730 -5.348 -7.875 197 1HB LYS 26 2HB LYS 26 5.991 -3.435 -7.423 198 2HB LYS 26 3HB LYS 26 6.114 -4.504 -8.798 199 1HG LYS 26 2HG LYS 26 4.170 -3.606 -9.806 200 2HG LYS 26 3HG LYS 26 3.597 -2.872 -8.289 201 1HD LYS 26 2HD LYS 26 5.345 -1.265 -8.257 202 2HD LYS 26 3HD LYS 26 6.230 -2.071 -9.549 203 1HE LYS 26 2HE LYS 26 4.464 -1.440 -11.181 204 2HE LYS 26 3HE LYS 26 3.468 -0.785 -9.866 205 1HZ LYS 26 1HZ LYS 26 6.060 0.300 -10.754 206 2HZ LYS 26 2HZ LYS 26 4.577 1.010 -10.918 207 3HZ LYS 26 3HZ LYS 26 5.257 0.802 -9.434 208 H GLU 27 H GLU 27 6.458 -5.621 -5.523 209 HA GLU 27 HA GLU 27 7.472 -8.077 -6.590 210 1HB GLU 27 2HB GLU 27 7.633 -6.862 -3.819 211 2HB GLU 27 3HB GLU 27 8.456 -8.332 -4.270 212 1HG GLU 27 2HG GLU 27 8.957 -6.129 -6.202 213 2HG GLU 27 3HG GLU 27 9.404 -5.701 -4.549 214 H ILE 28 H ILE 28 4.410 -7.612 -5.016 215 HA ILE 28 HA ILE 28 4.388 -10.315 -3.842 216 HB ILE 28 HB ILE 28 2.099 -8.460 -4.223 217 1HG1 ILE 28 2HG1 ILE 28 3.684 -8.626 -1.635 218 2HG1 ILE 28 3HG1 ILE 28 3.846 -7.328 -2.817 219 1HG2 ILE 28 1HG2 ILE 28 2.218 -11.139 -3.304 220 2HG2 ILE 28 2HG2 ILE 28 1.984 -10.176 -1.856 221 3HG2 ILE 28 3HG2 ILE 28 0.845 -10.021 -3.210 222 1HD1 ILE 28 1HD1 ILE 28 2.261 -6.669 -1.050 223 2HD1 ILE 28 2HD1 ILE 28 1.464 -6.765 -2.636 224 3HD1 ILE 28 3HD1 ILE 28 1.220 -8.049 -1.462 225 H GLU 29 H GLU 29 4.207 -11.915 -5.245 226 HA GLU 29 HA GLU 29 3.248 -11.982 -7.836 227 1HB GLU 29 2HB GLU 29 3.933 -13.949 -5.693 228 2HB GLU 29 3HB GLU 29 2.745 -14.536 -6.834 229 1HG GLU 29 2HG GLU 29 4.946 -15.156 -7.615 230 2HG GLU 29 3HG GLU 29 4.282 -13.950 -8.727 231 H GLY 30 H GLY 30 1.369 -11.897 -5.008 232 1HA GLY 30 1HA GLY 30 -1.072 -13.106 -6.028 233 2HA GLY 30 2HA GLY 30 -0.907 -12.117 -4.571 234 H VAL 31 H VAL 31 0.333 -9.803 -6.168 235 HA VAL 31 HA VAL 31 -2.329 -8.669 -6.748 236 HB VAL 31 HB VAL 31 -0.450 -7.883 -5.073 237 1HG1 VAL 31 1HG1 VAL 31 1.269 -7.536 -6.903 238 2HG1 VAL 31 2HG1 VAL 31 0.282 -6.167 -7.471 239 3HG1 VAL 31 3HG1 VAL 31 0.920 -6.169 -5.834 240 1HG2 VAL 31 1HG2 VAL 31 -2.689 -6.860 -5.426 241 2HG2 VAL 31 2HG2 VAL 31 -1.369 -5.761 -4.973 242 3HG2 VAL 31 3HG2 VAL 31 -1.944 -5.791 -6.641 243 H THR 32 H THR 32 -1.903 -6.654 -8.482 244 HA THR 32 HA THR 32 -0.173 -7.587 -10.692 245 HB THR 32 HB THR 32 -3.108 -6.871 -11.076 246 HG1 THR 32 1HG THR 32 -1.750 -9.216 -10.628 247 1HG2 THR 32 1HG2 THR 32 -1.766 -6.134 -12.980 248 2HG2 THR 32 2HG2 THR 32 -0.931 -7.701 -13.044 249 3HG2 THR 32 3HG2 THR 32 -2.664 -7.596 -13.420 250 H GLU 33 H GLU 33 -2.518 -5.018 -9.706 251 HA GLU 33 HA GLU 33 -0.182 -3.124 -10.032 252 1HB GLU 33 2HB GLU 33 -2.959 -2.539 -11.154 253 2HB GLU 33 3HB GLU 33 -1.652 -1.372 -10.929 254 1HG GLU 33 2HG GLU 33 -0.211 -3.048 -12.344 255 2HG GLU 33 3HG GLU 33 -1.780 -3.661 -12.887 256 H ALA 34 H ALA 34 -0.246 -1.197 -8.725 257 HA ALA 34 HA ALA 34 -2.496 -0.924 -6.908 258 1HB ALA 34 1HB ALA 34 -1.160 -2.589 -5.712 259 2HB ALA 34 2HB ALA 34 0.303 -1.581 -5.878 260 3HB ALA 34 3HB ALA 34 -1.044 -1.036 -4.856 261 H ILE 35 H ILE 35 -2.503 1.151 -5.870 262 HA ILE 35 HA ILE 35 -0.459 3.086 -6.954 263 HB ILE 35 HB ILE 35 -3.473 3.495 -6.933 264 1HG1 ILE 35 2HG1 ILE 35 -1.727 3.437 -9.421 265 2HG1 ILE 35 3HG1 ILE 35 -2.475 1.958 -8.816 266 1HG2 ILE 35 1HG2 ILE 35 -1.178 5.281 -7.863 267 2HG2 ILE 35 2HG2 ILE 35 -2.896 5.639 -8.107 268 3HG2 ILE 35 3HG2 ILE 35 -2.244 5.577 -6.474 269 1HD1 ILE 35 1HD1 ILE 35 -3.882 2.911 -10.515 270 2HD1 ILE 35 2HD1 ILE 35 -4.704 2.916 -8.944 271 3HD1 ILE 35 3HD1 ILE 35 -4.043 4.426 -9.609 272 H VAL 36 H VAL 36 0.268 4.449 -5.361 273 HA VAL 36 HA VAL 36 -1.090 4.347 -2.697 274 HB VAL 36 HB VAL 36 0.856 3.029 -2.605 275 1HG1 VAL 36 1HG1 VAL 36 2.549 5.308 -3.699 276 2HG1 VAL 36 2HG1 VAL 36 3.080 3.717 -3.151 277 3HG1 VAL 36 3HG1 VAL 36 2.086 3.860 -4.596 278 1HG2 VAL 36 1HG2 VAL 36 2.163 4.218 -0.899 279 2HG2 VAL 36 2HG2 VAL 36 1.477 5.764 -1.395 280 3HG2 VAL 36 3HG2 VAL 36 0.431 4.525 -0.674 281 H ASN 37 H ASN 37 -2.105 6.259 -2.394 282 HA ASN 37 HA ASN 37 -0.637 8.776 -3.153 283 1HB ASN 37 2HB ASN 37 -3.557 8.316 -2.471 284 2HB ASN 37 3HB ASN 37 -2.785 9.883 -2.776 285 1HD2 ASN 37 1HD2 ASN 37 -4.805 7.834 -4.277 286 2HD2 ASN 37 2HD2 ASN 37 -4.250 8.041 -5.929 287 H PHE 38 H PHE 38 0.861 8.222 -1.432 288 HA PHE 38 HA PHE 38 -0.032 8.449 1.339 289 1HB PHE 38 2HB PHE 38 2.663 8.675 -0.054 290 2HB PHE 38 3HB PHE 38 2.488 9.077 1.637 291 HD1 PHE 38 1HD PHE 38 0.860 7.139 2.925 292 HD2 PHE 38 2HD PHE 38 4.026 6.787 0.076 293 HE1 PHE 38 1HE PHE 38 1.564 5.004 3.920 294 HE2 PHE 38 2HE PHE 38 4.567 4.524 0.962 295 HZ PHE 38 HZ PHE 38 3.304 3.629 2.854 296 H GLY 39 H GLY 39 0.834 10.272 2.703 297 1HA GLY 39 1HA GLY 39 1.325 12.677 2.793 298 2HA GLY 39 2HA GLY 39 0.255 12.922 1.409 299 H ALA 40 H ALA 40 -1.966 11.932 1.664 300 HA ALA 40 HA ALA 40 -3.089 11.343 4.236 301 1HB ALA 40 1HB ALA 40 -3.599 14.146 3.126 302 2HB ALA 40 2HB ALA 40 -4.533 13.377 4.426 303 3HB ALA 40 3HB ALA 40 -2.825 13.754 4.675 304 H SER 41 H SER 41 -3.419 9.661 2.376 305 HA SER 41 HA SER 41 -6.181 9.985 1.501 306 1HB SER 41 2HB SER 41 -3.973 10.139 -0.540 307 2HB SER 41 3HB SER 41 -5.542 9.425 -0.950 308 HG SER 41 HG SER 41 -5.453 11.916 0.316 309 H LYS 42 H LYS 42 -4.356 7.743 -0.396 310 HA LYS 42 HA LYS 42 -5.352 5.499 1.167 311 1HB LYS 42 2HB LYS 42 -7.189 4.919 -0.319 312 2HB LYS 42 3HB LYS 42 -7.431 6.475 0.465 313 1HG LYS 42 2HG LYS 42 -6.329 7.365 -1.851 314 2HG LYS 42 3HG LYS 42 -6.996 5.849 -2.443 315 1HD LYS 42 2HD LYS 42 -8.488 8.071 -0.964 316 2HD LYS 42 3HD LYS 42 -8.569 7.755 -2.703 317 1HE LYS 42 2HE LYS 42 -9.658 5.589 -2.327 318 2HE LYS 42 3HE LYS 42 -9.468 5.730 -0.571 319 1HZ LYS 42 1HZ LYS 42 -11.163 7.448 -2.234 320 2HZ LYS 42 2HZ LYS 42 -11.643 6.247 -1.205 321 3HZ LYS 42 3HZ LYS 42 -10.946 7.592 -0.601 322 H ILE 43 H ILE 43 -5.155 3.460 0.054 323 HA ILE 43 HA ILE 43 -3.167 3.475 -2.142 324 HB ILE 43 HB ILE 43 -1.973 3.130 -0.146 325 1HG1 ILE 43 2HG1 ILE 43 -1.106 1.799 -2.014 326 2HG1 ILE 43 3HG1 ILE 43 -0.810 1.056 -0.442 327 1HG2 ILE 43 1HG2 ILE 43 -3.685 2.432 1.397 328 2HG2 ILE 43 2HG2 ILE 43 -3.848 0.871 0.582 329 3HG2 ILE 43 3HG2 ILE 43 -2.336 1.301 1.408 330 1HD1 ILE 43 1HD1 ILE 43 -1.346 -0.633 -1.999 331 2HD1 ILE 43 2HD1 ILE 43 -2.638 -0.533 -0.792 332 3HD1 ILE 43 3HD1 ILE 43 -2.873 0.136 -2.414 333 H THR 44 H THR 44 -4.005 2.538 -3.849 334 HA THR 44 HA THR 44 -6.326 0.705 -3.662 335 HB THR 44 HB THR 44 -5.111 2.128 -6.056 336 HG1 THR 44 1HG THR 44 -6.497 2.966 -4.152 337 1HG2 THR 44 1HG2 THR 44 -6.212 0.058 -6.814 338 2HG2 THR 44 2HG2 THR 44 -7.647 0.449 -5.838 339 3HG2 THR 44 3HG2 THR 44 -7.200 1.468 -7.220 340 H VAL 45 H VAL 45 -6.195 -1.334 -4.446 341 HA VAL 45 HA VAL 45 -3.556 -2.467 -5.203 342 HB VAL 45 HB VAL 45 -5.670 -3.396 -3.248 343 1HG1 VAL 45 1HG1 VAL 45 -4.233 -5.357 -2.760 344 2HG1 VAL 45 2HG1 VAL 45 -4.671 -5.353 -4.474 345 3HG1 VAL 45 3HG1 VAL 45 -3.063 -4.785 -3.960 346 1HG2 VAL 45 1HG2 VAL 45 -4.306 -1.760 -2.153 347 2HG2 VAL 45 2HG2 VAL 45 -3.846 -3.343 -1.528 348 3HG2 VAL 45 3HG2 VAL 45 -2.812 -2.544 -2.731 349 H THR 46 H THR 46 -3.848 -3.939 -6.955 350 HA THR 46 HA THR 46 -6.547 -4.869 -7.608 351 HB THR 46 HB THR 46 -4.749 -3.220 -9.471 352 HG1 THR 46 1HG THR 46 -6.782 -2.867 -7.813 353 1HG2 THR 46 1HG2 THR 46 -6.594 -3.502 -11.125 354 2HG2 THR 46 2HG2 THR 46 -5.801 -5.049 -10.785 355 3HG2 THR 46 3HG2 THR 46 -7.380 -4.679 -10.051 356 H GLY 47 H GLY 47 -6.476 -6.875 -8.266 357 1HA GLY 47 1HA GLY 47 -4.816 -8.049 -10.006 358 2HA GLY 47 2HA GLY 47 -3.805 -8.114 -8.588 359 H GLU 48 H GLU 48 -4.224 -9.438 -6.893 360 HA GLU 48 HA GLU 48 -6.793 -10.482 -6.185 361 1HB GLU 48 2HB GLU 48 -6.046 -12.023 -8.067 362 2HB GLU 48 3HB GLU 48 -4.716 -12.554 -7.043 363 1HG GLU 48 2HG GLU 48 -7.461 -12.683 -5.810 364 2HG GLU 48 3HG GLU 48 -7.212 -13.705 -7.223 365 H ALA 49 H ALA 49 -5.407 -8.777 -4.692 366 HA ALA 49 HA ALA 49 -4.612 -10.451 -2.416 367 1HB ALA 49 1HB ALA 49 -2.738 -8.394 -3.662 368 2HB ALA 49 2HB ALA 49 -2.531 -9.099 -2.055 369 3HB ALA 49 3HB ALA 49 -2.448 -10.142 -3.491 370 H SER 50 H SER 50 -4.183 -9.071 -0.472 371 HA SER 50 HA SER 50 -5.904 -6.649 -0.400 372 1HB SER 50 2HB SER 50 -5.871 -9.086 1.423 373 2HB SER 50 3HB SER 50 -6.440 -7.530 2.020 374 HG SER 50 HG SER 50 -7.967 -7.435 0.369 375 H ILE 51 H ILE 51 -5.575 -5.316 1.539 376 HA ILE 51 HA ILE 51 -3.017 -4.480 1.502 377 HB ILE 51 HB ILE 51 -5.190 -3.260 2.323 378 1HG1 ILE 51 2HG1 ILE 51 -3.824 -1.670 3.560 379 2HG1 ILE 51 3HG1 ILE 51 -2.440 -2.747 3.319 380 1HG2 ILE 51 1HG2 ILE 51 -4.003 -3.949 5.032 381 2HG2 ILE 51 2HG2 ILE 51 -5.441 -2.981 4.684 382 3HG2 ILE 51 3HG2 ILE 51 -5.478 -4.726 4.386 383 1HD1 ILE 51 1HD1 ILE 51 -4.152 -1.378 1.185 384 2HD1 ILE 51 2HD1 ILE 51 -2.472 -0.989 1.602 385 3HD1 ILE 51 3HD1 ILE 51 -2.851 -2.500 0.786 386 H GLN 52 H GLN 52 -4.240 -6.926 3.675 387 HA GLN 52 HA GLN 52 -2.468 -7.054 5.765 388 1HB GLN 52 2HB GLN 52 -3.232 -9.266 3.793 389 2HB GLN 52 3HB GLN 52 -2.460 -9.580 5.347 390 1HG GLN 52 2HG GLN 52 -5.147 -8.134 5.154 391 2HG GLN 52 3HG GLN 52 -4.986 -9.889 5.189 392 1HE2 GLN 52 1HE2 GLN 52 -4.169 -6.934 7.109 393 2HE2 GLN 52 2HE2 GLN 52 -4.151 -7.800 8.630 394 H GLN 53 H GLN 53 -1.693 -8.026 2.399 395 HA GLN 53 HA GLN 53 1.056 -8.717 3.096 396 1HB GLN 53 2HB GLN 53 -0.227 -8.174 0.397 397 2HB GLN 53 3HB GLN 53 1.385 -8.880 0.676 398 1HG GLN 53 2HG GLN 53 0.332 -10.746 1.949 399 2HG GLN 53 3HG GLN 53 -1.272 -10.100 1.557 400 1HE2 GLN 53 1HE2 GLN 53 0.518 -12.621 0.703 401 2HE2 GLN 53 2HE2 GLN 53 0.182 -12.664 -1.019 402 H VAL 54 H VAL 54 -0.519 -5.787 1.835 403 HA VAL 54 HA VAL 54 1.937 -4.448 1.143 404 HB VAL 54 HB VAL 54 -0.763 -3.142 1.719 405 1HG1 VAL 54 1HG1 VAL 54 1.638 -2.255 0.114 406 2HG1 VAL 54 2HG1 VAL 54 0.051 -1.455 0.125 407 3HG1 VAL 54 3HG1 VAL 54 1.014 -1.540 1.600 408 1HG2 VAL 54 1HG2 VAL 54 -1.303 -4.812 0.113 409 2HG2 VAL 54 2HG2 VAL 54 -0.983 -3.366 -0.852 410 3HG2 VAL 54 3HG2 VAL 54 0.234 -4.660 -0.711 411 H GLU 55 H GLU 55 -0.127 -4.640 3.998 412 HA GLU 55 HA GLU 55 0.959 -2.627 5.623 413 1HB GLU 55 2HB GLU 55 -1.260 -3.849 5.790 414 2HB GLU 55 3HB GLU 55 -0.402 -5.242 6.445 415 1HG GLU 55 2HG GLU 55 -0.154 -2.480 7.685 416 2HG GLU 55 3HG GLU 55 -1.500 -3.570 8.058 417 H GLN 56 H GLN 56 1.455 -6.229 5.499 418 HA GLN 56 HA GLN 56 3.540 -6.480 7.245 419 1HB GLN 56 2HB GLN 56 2.273 -8.283 5.972 420 2HB GLN 56 3HB GLN 56 3.283 -7.915 4.566 421 1HG GLN 56 2HG GLN 56 4.195 -9.807 5.616 422 2HG GLN 56 3HG GLN 56 5.307 -8.474 5.951 423 1HE2 GLN 56 1HE2 GLN 56 5.467 -7.692 8.172 424 2HE2 GLN 56 2HE2 GLN 56 4.764 -8.619 9.490 425 H ALA 57 H ALA 57 3.769 -5.476 3.772 426 HA ALA 57 HA ALA 57 6.608 -5.172 3.795 427 1HB ALA 57 1HB ALA 57 6.329 -4.420 1.658 428 2HB ALA 57 2HB ALA 57 4.864 -5.357 1.829 429 3HB ALA 57 3HB ALA 57 4.783 -3.590 1.964 430 H GLY 58 H GLY 58 3.892 -2.914 4.366 431 1HA GLY 58 1HA GLY 58 5.242 -0.472 4.691 432 2HA GLY 58 2HA GLY 58 3.656 -0.939 5.353 433 H ALA 59 H ALA 59 5.027 -3.245 6.848 434 HA ALA 59 HA ALA 59 5.767 -2.323 9.303 435 1HB ALA 59 1HB ALA 59 7.233 -4.259 9.525 436 2HB ALA 59 2HB ALA 59 5.755 -4.707 8.652 437 3HB ALA 59 3HB ALA 59 7.285 -4.461 7.764 438 H PHE 60 H PHE 60 7.729 -1.889 6.329 439 HA PHE 60 HA PHE 60 10.139 -1.117 7.508 440 1HB PHE 60 2HB PHE 60 10.633 0.139 5.561 441 2HB PHE 60 3HB PHE 60 9.890 -1.393 5.145 442 HD1 PHE 60 1HD PHE 60 8.997 2.264 5.595 443 HD2 PHE 60 2HD PHE 60 8.386 -1.354 3.353 444 HE1 PHE 60 1HE PHE 60 7.551 3.493 4.015 445 HE2 PHE 60 2HE PHE 60 7.110 -0.074 1.658 446 HZ PHE 60 HZ PHE 60 6.632 2.342 2.019 447 H GLU 61 H GLU 61 7.173 0.798 7.335 448 HA GLU 61 HA GLU 61 8.419 2.896 9.096 449 1HB GLU 61 2HB GLU 61 6.827 3.114 6.570 450 2HB GLU 61 3HB GLU 61 6.514 4.310 7.824 451 1HG GLU 61 2HG GLU 61 9.405 3.831 7.139 452 2HG GLU 61 3HG GLU 61 8.392 4.667 5.944 453 H HIS 62 H HIS 62 6.024 0.491 8.905 454 HA HIS 62 HA HIS 62 4.601 -0.219 10.489 455 1HB HIS 62 2HB HIS 62 5.141 2.199 12.231 456 2HB HIS 62 3HB HIS 62 4.638 0.583 12.704 457 HD1 HIS 62 1HD HIS 62 7.178 -0.851 10.989 458 HD2 HIS 62 2HD HIS 62 7.305 2.418 13.640 459 HE1 HIS 62 1HE HIS 62 9.533 -0.736 11.875 460 H LEU 63 H LEU 63 3.310 0.700 8.417 461 HA LEU 63 HA LEU 63 1.708 3.065 9.062 462 1HB LEU 63 2HB LEU 63 1.771 1.215 6.658 463 2HB LEU 63 3HB LEU 63 0.580 2.502 6.836 464 HG LEU 63 HG LEU 63 2.435 3.298 5.488 465 1HD1 LEU 63 1HD1 LEU 63 2.594 5.388 6.434 466 2HD1 LEU 63 2HD1 LEU 63 1.130 4.757 7.150 467 3HD1 LEU 63 3HD1 LEU 63 2.639 4.798 8.095 468 1HD2 LEU 63 1HD2 LEU 63 4.684 3.248 6.087 469 2HD2 LEU 63 2HD2 LEU 63 4.325 3.120 7.814 470 3HD2 LEU 63 3HD2 LEU 63 4.101 1.739 6.706 471 H LYS 64 H LYS 64 -0.781 2.961 8.619 472 HA LYS 64 HA LYS 64 -1.905 0.677 10.157 473 1HB LYS 64 2HB LYS 64 -3.167 2.289 11.531 474 2HB LYS 64 3HB LYS 64 -1.470 2.108 11.924 475 1HG LYS 64 2HG LYS 64 -2.540 4.389 10.200 476 2HG LYS 64 3HG LYS 64 -2.512 4.476 11.955 477 1HD LYS 64 2HD LYS 64 -0.021 4.143 10.221 478 2HD LYS 64 3HD LYS 64 -0.663 5.607 10.806 479 1HE LYS 64 2HE LYS 64 -0.087 5.188 13.059 480 2HE LYS 64 3HE LYS 64 -0.064 3.437 12.850 481 1HZ LYS 64 1HZ LYS 64 1.989 5.235 11.759 482 2HZ LYS 64 2HZ LYS 64 2.128 4.274 13.086 483 3HZ LYS 64 3HZ LYS 64 1.961 3.592 11.624 484 H ILE 65 H ILE 65 -2.169 0.429 7.865 485 HA ILE 65 HA ILE 65 -4.118 2.039 6.503 486 HB ILE 65 HB ILE 65 -3.444 -0.722 5.510 487 1HG1 ILE 65 2HG1 ILE 65 -1.456 1.517 5.664 488 2HG1 ILE 65 3HG1 ILE 65 -1.347 -0.201 6.161 489 1HG2 ILE 65 1HG2 ILE 65 -3.553 0.497 3.311 490 2HG2 ILE 65 2HG2 ILE 65 -5.034 0.579 4.270 491 3HG2 ILE 65 3HG2 ILE 65 -3.949 1.959 4.204 492 1HD1 ILE 65 1HD1 ILE 65 -0.012 -0.057 4.296 493 2HD1 ILE 65 2HD1 ILE 65 -1.476 -0.853 3.766 494 3HD1 ILE 65 3HD1 ILE 65 -1.218 0.863 3.360 495 H ILE 66 H ILE 66 -6.324 1.744 6.329 496 HA ILE 66 HA ILE 66 -7.482 -0.599 7.773 497 HB ILE 66 HB ILE 66 -8.356 2.294 7.771 498 1HG1 ILE 66 2HG1 ILE 66 -7.603 0.645 10.211 499 2HG1 ILE 66 3HG1 ILE 66 -6.336 1.425 9.275 500 1HG2 ILE 66 1HG2 ILE 66 -9.613 -0.146 9.119 501 2HG2 ILE 66 2HG2 ILE 66 -10.093 1.532 9.410 502 3HG2 ILE 66 3HG2 ILE 66 -10.341 0.819 7.818 503 1HD1 ILE 66 1HD1 ILE 66 -8.658 2.910 10.539 504 2HD1 ILE 66 2HD1 ILE 66 -6.979 2.856 11.107 505 3HD1 ILE 66 3HD1 ILE 66 -7.358 3.619 9.552 506 HA PRO 67 HA PRO 67 -9.777 -0.960 3.828 507 1HB PRO 67 2HB PRO 67 -11.538 -2.925 4.585 508 2HB PRO 67 3HB PRO 67 -9.848 -3.265 4.147 509 1HG PRO 67 2HG PRO 67 -11.017 -2.966 6.908 510 2HG PRO 67 3HG PRO 67 -9.880 -4.212 6.322 511 1HD PRO 67 2HD PRO 67 -9.086 -2.035 7.729 512 2HD PRO 67 3HD PRO 67 -8.055 -2.709 6.433 513 H GLU 68 H GLU 68 -10.871 0.967 3.701 514 HA GLU 68 HA GLU 68 -12.757 2.105 5.394 515 1HB GLU 68 2HB GLU 68 -12.734 2.009 2.329 516 2HB GLU 68 3HB GLU 68 -13.687 3.128 3.307 517 1HG GLU 68 2HG GLU 68 -11.650 4.130 4.219 518 2HG GLU 68 3HG GLU 68 -10.633 2.988 3.333 519 H LYS 69 H LYS 69 -13.305 -0.200 2.753 520 HA LYS 69 HA LYS 69 -14.944 -1.600 2.196 521 1HB LYS 69 2HB LYS 69 -14.586 -2.098 4.910 522 2HB LYS 69 3HB LYS 69 -16.321 -1.793 4.822 523 1HG LYS 69 2HG LYS 69 -16.406 -3.480 2.912 524 2HG LYS 69 3HG LYS 69 -14.687 -3.807 3.212 525 1HD LYS 69 2HD LYS 69 -15.202 -4.468 5.542 526 2HD LYS 69 3HD LYS 69 -16.919 -4.148 5.282 527 1HE LYS 69 2HE LYS 69 -15.238 -6.235 3.797 528 2HE LYS 69 3HE LYS 69 -16.354 -6.570 5.125 529 1HZ LYS 69 1HZ LYS 69 -18.152 -5.714 3.736 530 2HZ LYS 69 2HZ LYS 69 -17.110 -5.489 2.488 531 3HZ LYS 69 3HZ LYS 69 -17.400 -7.005 3.043 532 H GLU 70 H GLU 70 -17.626 -1.895 2.702 533 HA GLU 70 HA GLU 70 -19.076 0.530 2.851 534 1HB GLU 70 2HB GLU 70 -19.730 0.659 0.461 535 2HB GLU 70 3HB GLU 70 -18.001 0.915 0.652 536 1HG GLU 70 2HG GLU 70 -17.827 -1.691 0.157 537 2HG GLU 70 3HG GLU 70 -19.446 -1.463 -0.517 538 H ALA 71 H ALA 71 -21.322 0.010 2.672 539 HA ALA 71 HA ALA 71 -23.079 -1.191 3.375 540 1HB ALA 71 1HB ALA 71 -22.050 -3.384 1.534 541 2HB ALA 71 2HB ALA 71 -23.715 -3.143 2.105 542 3HB ALA 71 3HB ALA 71 -22.982 -1.964 1.001 Start of MODEL 14 1 1H MET 1 H1 MET 1 -16.765 -10.189 -11.557 2 2H MET 1 H2 MET 1 -18.348 -9.911 -11.102 3 3H MET 1 H3 MET 1 -17.572 -8.933 -12.204 4 HA MET 1 HA MET 1 -17.363 -7.674 -10.300 5 1HB MET 1 2HB MET 1 -16.819 -10.360 -8.963 6 2HB MET 1 3HB MET 1 -16.494 -8.811 -8.172 7 1HG MET 1 2HG MET 1 -18.806 -8.163 -8.246 8 2HG MET 1 3HG MET 1 -19.243 -9.545 -9.259 9 1HE MET 1 1HE MET 1 -21.274 -10.058 -7.731 10 2HE MET 1 2HE MET 1 -21.147 -10.316 -5.976 11 3HE MET 1 3HE MET 1 -20.844 -8.701 -6.658 12 H ALA 2 H ALA 2 -15.124 -6.977 -9.314 13 HA ALA 2 HA ALA 2 -12.880 -8.042 -10.964 14 1HB ALA 2 1HB ALA 2 -13.723 -5.125 -10.689 15 2HB ALA 2 2HB ALA 2 -12.249 -5.720 -11.483 16 3HB ALA 2 3HB ALA 2 -13.841 -6.117 -12.161 17 H GLU 3 H GLU 3 -11.263 -8.557 -9.604 18 HA GLU 3 HA GLU 3 -11.201 -7.718 -6.858 19 1HB GLU 3 2HB GLU 3 -9.307 -9.286 -8.655 20 2HB GLU 3 3HB GLU 3 -8.954 -8.954 -6.958 21 1HG GLU 3 2HG GLU 3 -11.454 -10.411 -7.930 22 2HG GLU 3 3HG GLU 3 -9.999 -11.175 -7.271 23 H LYS 4 H LYS 4 -11.341 -5.457 -7.334 24 HA LYS 4 HA LYS 4 -8.632 -4.338 -7.005 25 1HB LYS 4 2HB LYS 4 -9.160 -2.303 -8.107 26 2HB LYS 4 3HB LYS 4 -9.490 -3.620 -9.230 27 1HG LYS 4 2HG LYS 4 -11.443 -2.527 -9.609 28 2HG LYS 4 3HG LYS 4 -11.979 -3.350 -8.150 29 1HD LYS 4 2HD LYS 4 -12.576 -1.083 -7.821 30 2HD LYS 4 3HD LYS 4 -11.117 -1.286 -6.846 31 1HE LYS 4 2HE LYS 4 -9.805 -0.373 -8.915 32 2HE LYS 4 3HE LYS 4 -11.381 0.014 -9.606 33 1HZ LYS 4 1HZ LYS 4 -10.280 1.066 -7.081 34 2HZ LYS 4 2HZ LYS 4 -10.411 1.880 -8.500 35 3HZ LYS 4 3HZ LYS 4 -11.769 1.435 -7.686 36 H THR 5 H THR 5 -8.481 -2.820 -5.248 37 HA THR 5 HA THR 5 -10.923 -2.167 -3.774 38 HB THR 5 HB THR 5 -8.791 -4.000 -2.530 39 HG1 THR 5 1HG THR 5 -11.140 -4.272 -3.777 40 1HG2 THR 5 1HG2 THR 5 -11.353 -2.784 -1.353 41 2HG2 THR 5 2HG2 THR 5 -10.420 -4.089 -0.604 42 3HG2 THR 5 3HG2 THR 5 -9.700 -2.486 -0.768 43 H VAL 6 H VAL 6 -10.402 -0.620 -2.065 44 HA VAL 6 HA VAL 6 -7.670 0.127 -2.066 45 HB VAL 6 HB VAL 6 -8.531 1.534 -3.738 46 1HG1 VAL 6 1HG1 VAL 6 -10.822 1.250 -3.699 47 2HG1 VAL 6 2HG1 VAL 6 -10.987 2.015 -2.102 48 3HG1 VAL 6 3HG1 VAL 6 -10.537 2.979 -3.537 49 1HG2 VAL 6 1HG2 VAL 6 -7.241 2.884 -2.052 50 2HG2 VAL 6 2HG2 VAL 6 -8.437 3.843 -2.929 51 3HG2 VAL 6 3HG2 VAL 6 -8.780 3.305 -1.268 52 H TYR 7 H TYR 7 -6.946 1.301 -0.261 53 HA TYR 7 HA TYR 7 -8.647 0.967 2.172 54 1HB TYR 7 2HB TYR 7 -5.729 0.160 1.910 55 2HB TYR 7 3HB TYR 7 -6.813 -0.123 3.257 56 HD1 TYR 7 HD1 TYR 7 -6.174 -1.069 -0.338 57 HD2 TYR 7 HD2 TYR 7 -7.664 -2.298 3.497 58 HE1 TYR 7 HE1 TYR 7 -6.722 -3.287 -1.266 59 HE2 TYR 7 HE2 TYR 7 -8.205 -4.533 2.571 60 HH TYR 7 HH TYR 7 -7.784 -5.335 -0.877 61 H ARG 8 H ARG 8 -8.129 2.564 3.821 62 HA ARG 8 HA ARG 8 -6.830 5.005 2.708 63 1HB ARG 8 2HB ARG 8 -8.707 4.389 4.991 64 2HB ARG 8 3HB ARG 8 -7.514 5.655 5.283 65 1HG ARG 8 2HG ARG 8 -8.232 6.856 3.244 66 2HG ARG 8 3HG ARG 8 -9.502 5.639 3.010 67 1HD ARG 8 2HD ARG 8 -10.307 6.271 5.414 68 2HD ARG 8 3HD ARG 8 -9.093 7.538 5.389 69 HE ARG 8 HE ARG 8 -10.458 8.859 4.134 70 1HH1 ARG 8 2HH2 ARG 8 -11.650 5.609 4.025 71 2HH1 ARG 8 1HH2 ARG 8 -12.165 5.752 2.408 72 1HH2 ARG 8 2HH1 ARG 8 -12.210 9.335 2.595 73 2HH2 ARG 8 1HH1 ARG 8 -13.253 8.033 2.096 74 H VAL 9 H VAL 9 -4.888 5.831 3.526 75 HA VAL 9 HA VAL 9 -3.494 4.225 5.611 76 HB VAL 9 HB VAL 9 -2.469 3.552 3.583 77 1HG1 VAL 9 1HG1 VAL 9 -1.410 5.118 1.990 78 2HG1 VAL 9 2HG1 VAL 9 -3.169 5.226 1.986 79 3HG1 VAL 9 3HG1 VAL 9 -2.210 6.477 2.804 80 1HG2 VAL 9 1HG2 VAL 9 -0.620 5.716 4.604 81 2HG2 VAL 9 2HG2 VAL 9 -1.021 4.282 5.581 82 3HG2 VAL 9 3HG2 VAL 9 -0.244 4.084 4.012 83 H ASP 10 H ASP 10 -2.375 5.362 7.147 84 HA ASP 10 HA ASP 10 -2.064 8.276 6.856 85 1HB ASP 10 2HB ASP 10 -3.582 6.794 9.060 86 2HB ASP 10 3HB ASP 10 -2.855 8.387 9.293 87 H GLY 11 H GLY 11 -0.387 8.996 8.261 88 1HA GLY 11 1HA GLY 11 1.079 8.378 10.180 89 2HA GLY 11 2HA GLY 11 1.460 6.877 9.330 90 H LEU 12 H LEU 12 2.463 7.099 7.140 91 HA LEU 12 HA LEU 12 4.694 8.927 7.400 92 1HB LEU 12 2HB LEU 12 5.761 7.690 5.759 93 2HB LEU 12 3HB LEU 12 4.771 6.512 6.605 94 HG LEU 12 HG LEU 12 3.048 6.785 4.716 95 1HD1 LEU 12 1HD1 LEU 12 5.396 8.332 3.549 96 2HD1 LEU 12 2HD1 LEU 12 4.405 7.342 2.470 97 3HD1 LEU 12 3HD1 LEU 12 3.653 8.642 3.353 98 1HD2 LEU 12 1HD2 LEU 12 5.789 5.534 4.485 99 2HD2 LEU 12 2HD2 LEU 12 4.222 4.809 4.858 100 3HD2 LEU 12 3HD2 LEU 12 4.561 5.295 3.212 101 H SER 13 H SER 13 5.443 10.350 5.616 102 HA SER 13 HA SER 13 3.566 10.997 3.495 103 1HB SER 13 2HB SER 13 2.726 12.395 5.401 104 2HB SER 13 3HB SER 13 4.298 13.225 5.429 105 HG SER 13 HG SER 13 2.670 14.266 4.124 106 H CYS 14 H CYS 14 5.238 10.234 2.156 107 HA CYS 14 HA CYS 14 7.157 12.238 1.402 108 1HB CYS 14 2HB CYS 14 8.470 11.301 3.272 109 2HB CYS 14 3HB CYS 14 8.232 9.661 2.635 110 HG CYS 14 HG CYS 14 9.687 12.270 1.240 111 H THR 15 H THR 15 7.301 12.080 -0.817 112 HA THR 15 HA THR 15 6.035 10.227 -2.362 113 HB THR 15 HB THR 15 8.607 11.650 -3.153 114 HG1 THR 15 1HG THR 15 6.023 12.783 -2.911 115 1HG2 THR 15 1HG2 THR 15 7.533 10.282 -4.918 116 2HG2 THR 15 2HG2 THR 15 5.990 11.119 -4.646 117 3HG2 THR 15 3HG2 THR 15 7.390 12.013 -5.275 118 H ASN 16 H ASN 16 9.490 10.114 -1.308 119 HA ASN 16 HA ASN 16 10.170 7.828 -2.775 120 1HB ASN 16 2HB ASN 16 11.356 9.163 -0.341 121 2HB ASN 16 3HB ASN 16 11.878 7.536 -0.768 122 1HD2 ASN 16 1HD2 ASN 16 12.001 10.924 -1.802 123 2HD2 ASN 16 2HD2 ASN 16 13.124 10.613 -3.113 124 H CYS 17 H CYS 17 8.557 8.177 0.378 125 HA CYS 17 HA CYS 17 8.788 5.355 1.098 126 1HB CYS 17 2HB CYS 17 7.126 7.668 2.133 127 2HB CYS 17 3HB CYS 17 6.765 5.993 2.553 128 HG CYS 17 HG CYS 17 9.696 7.447 2.839 129 H ALA 18 H ALA 18 6.273 7.443 -0.413 130 HA ALA 18 HA ALA 18 4.328 5.425 -0.835 131 1HB ALA 18 1HB ALA 18 3.455 6.864 -2.601 132 2HB ALA 18 2HB ALA 18 3.947 7.848 -1.207 133 3HB ALA 18 3HB ALA 18 4.966 7.785 -2.660 134 H ALA 19 H ALA 19 7.033 6.459 -2.933 135 HA ALA 19 HA ALA 19 6.638 4.674 -5.070 136 1HB ALA 19 1HB ALA 19 9.264 5.784 -4.011 137 2HB ALA 19 2HB ALA 19 8.990 5.072 -5.613 138 3HB ALA 19 3HB ALA 19 8.168 6.579 -5.161 139 H LYS 20 H LYS 20 8.736 4.319 -2.172 140 HA LYS 20 HA LYS 20 9.659 1.722 -2.730 141 1HB LYS 20 2HB LYS 20 10.629 3.255 -1.079 142 2HB LYS 20 3HB LYS 20 9.237 3.036 -0.005 143 1HG LYS 20 2HG LYS 20 9.787 0.759 0.422 144 2HG LYS 20 3HG LYS 20 10.859 0.675 -0.997 145 1HD LYS 20 2HD LYS 20 12.449 2.244 0.088 146 2HD LYS 20 3HD LYS 20 11.358 2.417 1.464 147 1HE LYS 20 2HE LYS 20 13.231 0.905 1.982 148 2HE LYS 20 3HE LYS 20 11.668 0.085 2.110 149 1HZ LYS 20 1HZ LYS 20 13.342 -1.233 0.975 150 2HZ LYS 20 2HZ LYS 20 12.073 -0.925 -0.017 151 3HZ LYS 20 3HZ LYS 20 13.489 -0.102 -0.209 152 H PHE 21 H PHE 21 6.802 2.760 -0.798 153 HA PHE 21 HA PHE 21 5.725 0.258 -0.181 154 1HB PHE 21 2HB PHE 21 4.688 3.016 -0.444 155 2HB PHE 21 3HB PHE 21 3.505 1.810 -0.865 156 HD1 PHE 21 1HD PHE 21 5.275 3.361 1.872 157 HD2 PHE 21 2HD PHE 21 3.040 -0.135 0.711 158 HE1 PHE 21 1HE PHE 21 4.924 2.765 4.257 159 HE2 PHE 21 2HE PHE 21 2.500 -0.576 3.102 160 HZ PHE 21 HZ PHE 21 3.294 0.992 4.851 161 H GLU 22 H GLU 22 4.892 2.208 -3.187 162 HA GLU 22 HA GLU 22 3.221 0.142 -4.115 163 1HB GLU 22 2HB GLU 22 3.091 1.132 -6.193 164 2HB GLU 22 3HB GLU 22 3.186 2.454 -5.030 165 1HG GLU 22 2HG GLU 22 5.375 3.036 -5.710 166 2HG GLU 22 3HG GLU 22 5.589 1.568 -6.676 167 H ARG 23 H ARG 23 6.662 0.694 -4.745 168 HA ARG 23 HA ARG 23 7.059 -1.512 -6.518 169 1HB ARG 23 2HB ARG 23 8.767 0.236 -6.010 170 2HB ARG 23 3HB ARG 23 8.979 -0.454 -4.388 171 1HG ARG 23 2HG ARG 23 9.618 -2.637 -5.414 172 2HG ARG 23 3HG ARG 23 9.422 -1.931 -7.028 173 1HD ARG 23 2HD ARG 23 11.188 -0.326 -6.571 174 2HD ARG 23 3HD ARG 23 11.357 -0.933 -4.895 175 HE ARG 23 HE ARG 23 11.697 -3.229 -6.241 176 1HH1 ARG 23 2HH2 ARG 23 13.289 -0.104 -6.300 177 2HH1 ARG 23 1HH2 ARG 23 14.706 -0.609 -7.169 178 1HH2 ARG 23 2HH1 ARG 23 13.483 -3.946 -7.550 179 2HH2 ARG 23 1HH1 ARG 23 14.824 -2.890 -7.905 180 H ASN 24 H ASN 24 7.227 -1.410 -2.893 181 HA ASN 24 HA ASN 24 7.822 -4.136 -2.553 182 1HB ASN 24 2HB ASN 24 7.498 -2.071 -0.822 183 2HB ASN 24 3HB ASN 24 5.962 -2.892 -0.539 184 1HD2 ASN 24 1HD2 ASN 24 8.309 -2.527 1.251 185 2HD2 ASN 24 2HD2 ASN 24 8.808 -4.160 1.673 186 H VAL 25 H VAL 25 4.657 -2.513 -2.934 187 HA VAL 25 HA VAL 25 3.056 -4.890 -2.751 188 HB VAL 25 HB VAL 25 2.461 -2.314 -4.294 189 1HG1 VAL 25 1HG1 VAL 25 0.710 -4.628 -3.375 190 2HG1 VAL 25 2HG1 VAL 25 0.076 -3.039 -3.826 191 3HG1 VAL 25 3HG1 VAL 25 0.939 -4.004 -5.027 192 1HG2 VAL 25 1HG2 VAL 25 2.812 -1.708 -1.985 193 2HG2 VAL 25 2HG2 VAL 25 1.073 -1.839 -2.194 194 3HG2 VAL 25 3HG2 VAL 25 1.994 -3.163 -1.433 195 H LYS 26 H LYS 26 4.442 -3.249 -5.641 196 HA LYS 26 HA LYS 26 3.472 -5.038 -7.583 197 1HB LYS 26 2HB LYS 26 5.799 -3.135 -7.310 198 2HB LYS 26 3HB LYS 26 5.650 -4.084 -8.763 199 1HG LYS 26 2HG LYS 26 3.479 -3.182 -9.254 200 2HG LYS 26 3HG LYS 26 3.342 -2.402 -7.664 201 1HD LYS 26 2HD LYS 26 4.965 -0.740 -8.177 202 2HD LYS 26 3HD LYS 26 5.663 -1.739 -9.441 203 1HE LYS 26 2HE LYS 26 4.541 0.037 -10.572 204 2HE LYS 26 3HE LYS 26 3.556 -1.409 -10.827 205 1HZ LYS 26 1HZ LYS 26 2.151 0.392 -10.286 206 2HZ LYS 26 2HZ LYS 26 2.157 -0.532 -8.936 207 3HZ LYS 26 3HZ LYS 26 3.059 0.850 -9.003 208 H GLU 27 H GLU 27 6.331 -5.304 -5.454 209 HA GLU 27 HA GLU 27 7.259 -7.775 -6.629 210 1HB GLU 27 2HB GLU 27 7.845 -6.383 -4.014 211 2HB GLU 27 3HB GLU 27 8.693 -7.827 -4.574 212 1HG GLU 27 2HG GLU 27 9.439 -6.676 -6.623 213 2HG GLU 27 3HG GLU 27 8.600 -5.200 -6.146 214 H ILE 28 H ILE 28 4.342 -7.456 -5.210 215 HA ILE 28 HA ILE 28 4.390 -10.157 -3.925 216 HB ILE 28 HB ILE 28 2.179 -8.178 -4.109 217 1HG1 ILE 28 2HG1 ILE 28 3.849 -8.694 -1.616 218 2HG1 ILE 28 3HG1 ILE 28 4.101 -7.332 -2.717 219 1HG2 ILE 28 1HG2 ILE 28 1.272 -10.384 -3.776 220 2HG2 ILE 28 2HG2 ILE 28 2.439 -10.721 -2.485 221 3HG2 ILE 28 3HG2 ILE 28 1.124 -9.555 -2.252 222 1HD1 ILE 28 1HD1 ILE 28 1.620 -7.812 -1.055 223 2HD1 ILE 28 2HD1 ILE 28 2.782 -6.494 -0.924 224 3HD1 ILE 28 3HD1 ILE 28 1.718 -6.621 -2.346 225 H GLU 29 H GLU 29 4.143 -11.700 -5.379 226 HA GLU 29 HA GLU 29 3.111 -11.758 -7.902 227 1HB GLU 29 2HB GLU 29 3.384 -13.820 -5.671 228 2HB GLU 29 3HB GLU 29 2.738 -14.246 -7.238 229 1HG GLU 29 2HG GLU 29 5.080 -14.792 -7.219 230 2HG GLU 29 3HG GLU 29 4.804 -13.470 -8.360 231 H GLY 30 H GLY 30 1.368 -12.081 -4.972 232 1HA GLY 30 1HA GLY 30 -1.143 -13.082 -5.955 233 2HA GLY 30 2HA GLY 30 -0.912 -12.176 -4.451 234 H VAL 31 H VAL 31 0.295 -9.821 -6.017 235 HA VAL 31 HA VAL 31 -2.330 -8.594 -6.609 236 HB VAL 31 HB VAL 31 -0.227 -7.776 -5.059 237 1HG1 VAL 31 1HG1 VAL 31 1.199 -7.355 -7.124 238 2HG1 VAL 31 2HG1 VAL 31 0.039 -6.075 -7.559 239 3HG1 VAL 31 3HG1 VAL 31 0.938 -5.984 -6.042 240 1HG2 VAL 31 1HG2 VAL 31 -2.128 -5.902 -6.478 241 2HG2 VAL 31 2HG2 VAL 31 -2.536 -6.921 -5.079 242 3HG2 VAL 31 3HG2 VAL 31 -1.302 -5.658 -4.928 243 H THR 32 H THR 32 -2.194 -6.940 -8.490 244 HA THR 32 HA THR 32 -0.436 -7.903 -10.701 245 HB THR 32 HB THR 32 -3.346 -7.074 -11.032 246 HG1 THR 32 1HG THR 32 -2.062 -9.521 -10.639 247 1HG2 THR 32 1HG2 THR 32 -3.032 -7.927 -13.322 248 2HG2 THR 32 2HG2 THR 32 -1.930 -6.575 -12.998 249 3HG2 THR 32 3HG2 THR 32 -1.317 -8.246 -12.985 250 H GLU 33 H GLU 33 -2.744 -5.274 -9.770 251 HA GLU 33 HA GLU 33 -0.454 -3.358 -10.233 252 1HB GLU 33 2HB GLU 33 -3.326 -3.260 -11.164 253 2HB GLU 33 3HB GLU 33 -2.477 -1.749 -10.809 254 1HG GLU 33 2HG GLU 33 -0.981 -3.761 -12.479 255 2HG GLU 33 3HG GLU 33 -2.383 -2.978 -13.175 256 H ALA 34 H ALA 34 -0.637 -1.328 -9.126 257 HA ALA 34 HA ALA 34 -2.575 -1.093 -7.033 258 1HB ALA 34 1HB ALA 34 -1.004 -2.535 -5.810 259 2HB ALA 34 2HB ALA 34 0.347 -1.440 -6.192 260 3HB ALA 34 3HB ALA 34 -0.969 -0.900 -5.124 261 H ILE 35 H ILE 35 -2.889 1.062 -6.522 262 HA ILE 35 HA ILE 35 -1.013 3.054 -7.741 263 HB ILE 35 HB ILE 35 -4.041 3.293 -7.630 264 1HG1 ILE 35 2HG1 ILE 35 -3.529 1.595 -9.294 265 2HG1 ILE 35 3HG1 ILE 35 -4.114 3.080 -10.029 266 1HG2 ILE 35 1HG2 ILE 35 -3.634 5.276 -9.070 267 2HG2 ILE 35 2HG2 ILE 35 -2.917 5.431 -7.460 268 3HG2 ILE 35 3HG2 ILE 35 -1.884 5.056 -8.850 269 1HD1 ILE 35 1HD1 ILE 35 -2.280 2.096 -11.322 270 2HD1 ILE 35 2HD1 ILE 35 -1.819 3.693 -10.710 271 3HD1 ILE 35 3HD1 ILE 35 -1.187 2.221 -9.938 272 H VAL 36 H VAL 36 0.021 3.692 -5.911 273 HA VAL 36 HA VAL 36 -1.555 3.905 -3.418 274 HB VAL 36 HB VAL 36 0.182 3.263 -2.234 275 1HG1 VAL 36 1HG1 VAL 36 0.977 1.914 -4.826 276 2HG1 VAL 36 2HG1 VAL 36 1.192 1.322 -3.169 277 3HG1 VAL 36 3HG1 VAL 36 -0.432 1.470 -3.863 278 1HG2 VAL 36 1HG2 VAL 36 2.580 3.346 -2.872 279 2HG2 VAL 36 2HG2 VAL 36 2.129 4.260 -4.335 280 3HG2 VAL 36 3HG2 VAL 36 1.840 4.939 -2.722 281 H ASN 37 H ASN 37 -2.151 5.893 -2.727 282 HA ASN 37 HA ASN 37 -0.903 8.232 -4.100 283 1HB ASN 37 2HB ASN 37 -3.430 7.988 -2.440 284 2HB ASN 37 3HB ASN 37 -2.765 9.488 -3.086 285 1HD2 ASN 37 1HD2 ASN 37 -3.772 6.180 -4.214 286 2HD2 ASN 37 2HD2 ASN 37 -4.409 6.777 -5.735 287 H PHE 38 H PHE 38 -1.706 7.051 -0.800 288 HA PHE 38 HA PHE 38 -0.769 7.503 1.229 289 1HB PHE 38 2HB PHE 38 1.559 7.488 -0.678 290 2HB PHE 38 3HB PHE 38 1.877 8.024 0.938 291 HD1 PHE 38 1HD PHE 38 2.087 6.531 2.736 292 HD2 PHE 38 2HD PHE 38 0.304 5.176 -0.924 293 HE1 PHE 38 1HE PHE 38 2.255 4.189 3.531 294 HE2 PHE 38 2HE PHE 38 0.425 2.812 -0.086 295 HZ PHE 38 HZ PHE 38 1.355 2.346 2.146 296 H GLY 39 H GLY 39 1.071 9.296 2.271 297 1HA GLY 39 1HA GLY 39 1.467 11.507 2.741 298 2HA GLY 39 2HA GLY 39 0.515 12.009 1.342 299 H ALA 40 H ALA 40 -1.919 11.380 1.598 300 HA ALA 40 HA ALA 40 -3.068 11.333 4.266 301 1HB ALA 40 1HB ALA 40 -4.140 13.570 4.150 302 2HB ALA 40 2HB ALA 40 -2.377 13.719 4.213 303 3HB ALA 40 3HB ALA 40 -3.229 13.934 2.669 304 H SER 41 H SER 41 -3.342 9.572 2.282 305 HA SER 41 HA SER 41 -5.934 10.133 0.914 306 1HB SER 41 2HB SER 41 -3.328 9.374 -0.456 307 2HB SER 41 3HB SER 41 -4.909 9.603 -1.247 308 HG SER 41 HG SER 41 -3.263 11.423 -1.142 309 H LYS 42 H LYS 42 -4.476 7.592 -0.683 310 HA LYS 42 HA LYS 42 -5.203 5.472 1.114 311 1HB LYS 42 2HB LYS 42 -7.018 4.659 -0.483 312 2HB LYS 42 3HB LYS 42 -7.442 5.925 0.636 313 1HG LYS 42 2HG LYS 42 -6.473 7.064 -1.902 314 2HG LYS 42 3HG LYS 42 -7.744 5.923 -2.207 315 1HD LYS 42 2HD LYS 42 -8.349 7.800 0.059 316 2HD LYS 42 3HD LYS 42 -8.073 8.582 -1.485 317 1HE LYS 42 2HE LYS 42 -10.464 8.099 -1.149 318 2HE LYS 42 3HE LYS 42 -9.809 7.306 -2.585 319 1HZ LYS 42 1HZ LYS 42 -10.404 5.953 0.014 320 2HZ LYS 42 2HZ LYS 42 -11.197 5.734 -1.339 321 3HZ LYS 42 3HZ LYS 42 -9.682 5.241 -1.255 322 H ILE 43 H ILE 43 -5.133 3.416 0.012 323 HA ILE 43 HA ILE 43 -3.151 3.325 -2.207 324 HB ILE 43 HB ILE 43 -1.935 2.857 -0.315 325 1HG1 ILE 43 2HG1 ILE 43 -1.707 1.096 -2.132 326 2HG1 ILE 43 3HG1 ILE 43 -1.038 0.751 -0.534 327 1HG2 ILE 43 1HG2 ILE 43 -3.500 2.660 1.439 328 2HG2 ILE 43 2HG2 ILE 43 -4.188 1.176 0.751 329 3HG2 ILE 43 3HG2 ILE 43 -2.545 1.174 1.417 330 1HD1 ILE 43 1HD1 ILE 43 -1.995 -1.228 -1.330 331 2HD1 ILE 43 2HD1 ILE 43 -3.022 -0.682 -0.013 332 3HD1 ILE 43 3HD1 ILE 43 -3.553 -0.476 -1.698 333 H THR 44 H THR 44 -4.072 2.523 -3.983 334 HA THR 44 HA THR 44 -6.356 0.644 -3.733 335 HB THR 44 HB THR 44 -5.236 2.103 -6.137 336 HG1 THR 44 1HG THR 44 -6.546 2.984 -4.301 337 1HG2 THR 44 1HG2 THR 44 -6.235 -0.044 -6.874 338 2HG2 THR 44 2HG2 THR 44 -7.692 0.311 -5.920 339 3HG2 THR 44 3HG2 THR 44 -7.263 1.326 -7.312 340 H VAL 45 H VAL 45 -6.151 -1.412 -4.294 341 HA VAL 45 HA VAL 45 -3.624 -2.473 -5.439 342 HB VAL 45 HB VAL 45 -5.113 -3.181 -2.943 343 1HG1 VAL 45 1HG1 VAL 45 -4.389 -5.559 -3.065 344 2HG1 VAL 45 2HG1 VAL 45 -5.752 -5.168 -4.127 345 3HG1 VAL 45 3HG1 VAL 45 -4.121 -5.357 -4.805 346 1HG2 VAL 45 1HG2 VAL 45 -2.762 -2.271 -3.140 347 2HG2 VAL 45 2HG2 VAL 45 -2.905 -3.772 -2.195 348 3HG2 VAL 45 3HG2 VAL 45 -2.288 -3.813 -3.862 349 H THR 46 H THR 46 -3.962 -4.063 -7.023 350 HA THR 46 HA THR 46 -6.679 -4.960 -7.567 351 HB THR 46 HB THR 46 -4.926 -3.439 -9.565 352 HG1 THR 46 1HG THR 46 -6.914 -2.959 -7.898 353 1HG2 THR 46 1HG2 THR 46 -7.563 -4.930 -10.015 354 2HG2 THR 46 2HG2 THR 46 -6.819 -3.799 -11.165 355 3HG2 THR 46 3HG2 THR 46 -6.001 -5.318 -10.769 356 H GLY 47 H GLY 47 -6.671 -6.973 -8.276 357 1HA GLY 47 1HA GLY 47 -5.119 -8.235 -9.989 358 2HA GLY 47 2HA GLY 47 -4.011 -8.283 -8.635 359 H GLU 48 H GLU 48 -4.409 -9.462 -6.805 360 HA GLU 48 HA GLU 48 -6.920 -10.593 -6.060 361 1HB GLU 48 2HB GLU 48 -6.084 -12.163 -7.971 362 2HB GLU 48 3HB GLU 48 -4.828 -12.670 -6.841 363 1HG GLU 48 2HG GLU 48 -6.665 -13.356 -5.242 364 2HG GLU 48 3HG GLU 48 -7.855 -12.865 -6.462 365 H ALA 49 H ALA 49 -5.373 -8.836 -4.686 366 HA ALA 49 HA ALA 49 -4.695 -10.444 -2.339 367 1HB ALA 49 1HB ALA 49 -2.485 -9.440 -1.989 368 2HB ALA 49 2HB ALA 49 -2.517 -10.298 -3.533 369 3HB ALA 49 3HB ALA 49 -2.631 -8.527 -3.501 370 H SER 50 H SER 50 -3.922 -8.745 -0.545 371 HA SER 50 HA SER 50 -5.729 -6.400 -0.563 372 1HB SER 50 2HB SER 50 -5.685 -8.762 1.377 373 2HB SER 50 3HB SER 50 -6.383 -7.207 1.829 374 HG SER 50 HG SER 50 -7.823 -7.355 0.107 375 H ILE 51 H ILE 51 -5.435 -5.126 1.494 376 HA ILE 51 HA ILE 51 -2.906 -4.135 1.635 377 HB ILE 51 HB ILE 51 -4.982 -3.094 2.550 378 1HG1 ILE 51 2HG1 ILE 51 -2.916 -1.957 2.667 379 2HG1 ILE 51 3HG1 ILE 51 -4.020 -1.660 4.010 380 1HG2 ILE 51 1HG2 ILE 51 -5.683 -4.905 4.113 381 2HG2 ILE 51 2HG2 ILE 51 -4.264 -4.554 5.128 382 3HG2 ILE 51 3HG2 ILE 51 -5.519 -3.330 4.912 383 1HD1 ILE 51 1HD1 ILE 51 -2.611 -3.190 5.451 384 2HD1 ILE 51 2HD1 ILE 51 -1.456 -3.263 4.094 385 3HD1 ILE 51 3HD1 ILE 51 -1.749 -1.767 4.895 386 H GLN 52 H GLN 52 -4.139 -6.740 3.823 387 HA GLN 52 HA GLN 52 -2.277 -7.001 5.701 388 1HB GLN 52 2HB GLN 52 -3.511 -9.117 3.945 389 2HB GLN 52 3HB GLN 52 -2.442 -9.566 5.278 390 1HG GLN 52 2HG GLN 52 -4.742 -7.656 5.827 391 2HG GLN 52 3HG GLN 52 -5.028 -9.393 5.682 392 1HE2 GLN 52 1HE2 GLN 52 -3.290 -6.897 7.683 393 2HE2 GLN 52 2HE2 GLN 52 -3.044 -8.011 9.000 394 H GLN 53 H GLN 53 -1.559 -8.030 2.346 395 HA GLN 53 HA GLN 53 1.144 -8.894 3.113 396 1HB GLN 53 2HB GLN 53 -0.017 -8.466 0.370 397 2HB GLN 53 3HB GLN 53 1.596 -9.124 0.779 398 1HG GLN 53 2HG GLN 53 0.322 -10.792 2.320 399 2HG GLN 53 3HG GLN 53 -1.135 -10.268 1.462 400 1HE2 GLN 53 1HE2 GLN 53 -1.537 -12.221 0.498 401 2HE2 GLN 53 2HE2 GLN 53 -0.472 -12.977 -0.684 402 H VAL 54 H VAL 54 -0.256 -5.977 1.686 403 HA VAL 54 HA VAL 54 2.158 -4.448 1.329 404 HB VAL 54 HB VAL 54 -0.676 -3.377 1.745 405 1HG1 VAL 54 1HG1 VAL 54 1.842 -2.230 0.567 406 2HG1 VAL 54 2HG1 VAL 54 0.218 -1.583 0.217 407 3HG1 VAL 54 3HG1 VAL 54 0.817 -1.617 1.873 408 1HG2 VAL 54 1HG2 VAL 54 -0.738 -3.421 -0.812 409 2HG2 VAL 54 2HG2 VAL 54 0.565 -4.628 -0.718 410 3HG2 VAL 54 3HG2 VAL 54 -1.004 -4.951 0.022 411 H GLU 55 H GLU 55 0.040 -5.227 4.007 412 HA GLU 55 HA GLU 55 0.746 -3.168 5.823 413 1HB GLU 55 2HB GLU 55 -1.175 -5.006 5.752 414 2HB GLU 55 3HB GLU 55 -0.074 -5.899 6.802 415 1HG GLU 55 2HG GLU 55 -0.070 -4.032 8.394 416 2HG GLU 55 3HG GLU 55 -1.130 -3.093 7.327 417 H GLN 56 H GLN 56 1.704 -6.617 5.436 418 HA GLN 56 HA GLN 56 3.825 -6.726 7.223 419 1HB GLN 56 2HB GLN 56 2.634 -8.591 5.856 420 2HB GLN 56 3HB GLN 56 3.738 -8.171 4.544 421 1HG GLN 56 2HG GLN 56 4.682 -10.001 5.706 422 2HG GLN 56 3HG GLN 56 5.657 -8.574 6.110 423 1HE2 GLN 56 1HE2 GLN 56 6.324 -10.163 7.931 424 2HE2 GLN 56 2HE2 GLN 56 5.318 -10.136 9.371 425 H ALA 57 H ALA 57 3.900 -5.780 3.727 426 HA ALA 57 HA ALA 57 6.643 -5.016 3.567 427 1HB ALA 57 1HB ALA 57 4.185 -3.836 2.247 428 2HB ALA 57 2HB ALA 57 5.834 -3.352 1.893 429 3HB ALA 57 3HB ALA 57 5.317 -5.031 1.594 430 H GLY 58 H GLY 58 3.809 -2.980 4.488 431 1HA GLY 58 1HA GLY 58 5.173 -0.614 4.963 432 2HA GLY 58 2HA GLY 58 3.576 -1.087 5.615 433 H ALA 59 H ALA 59 4.990 -3.444 7.012 434 HA ALA 59 HA ALA 59 5.584 -2.555 9.536 435 1HB ALA 59 1HB ALA 59 7.168 -4.697 8.077 436 2HB ALA 59 2HB ALA 59 6.946 -4.530 9.826 437 3HB ALA 59 3HB ALA 59 5.556 -4.938 8.802 438 H PHE 60 H PHE 60 7.698 -2.098 6.654 439 HA PHE 60 HA PHE 60 10.045 -1.431 8.055 440 1HB PHE 60 2HB PHE 60 10.775 -0.171 6.174 441 2HB PHE 60 3HB PHE 60 10.074 -1.703 5.690 442 HD1 PHE 60 1HD PHE 60 9.355 1.988 5.907 443 HD2 PHE 60 2HD PHE 60 8.598 -1.719 3.846 444 HE1 PHE 60 1HE PHE 60 8.229 3.226 4.086 445 HE2 PHE 60 2HE PHE 60 7.346 -0.480 2.094 446 HZ PHE 60 HZ PHE 60 7.277 1.991 2.137 447 H GLU 61 H GLU 61 7.147 0.560 7.654 448 HA GLU 61 HA GLU 61 8.347 2.620 9.495 449 1HB GLU 61 2HB GLU 61 6.809 2.873 6.932 450 2HB GLU 61 3HB GLU 61 6.498 4.058 8.209 451 1HG GLU 61 2HG GLU 61 9.389 3.665 7.726 452 2HG GLU 61 3HG GLU 61 8.497 4.222 6.301 453 H HIS 62 H HIS 62 6.038 0.184 9.266 454 HA HIS 62 HA HIS 62 4.452 -0.504 10.726 455 1HB HIS 62 2HB HIS 62 5.045 1.863 12.539 456 2HB HIS 62 3HB HIS 62 4.296 0.329 12.951 457 HD1 HIS 62 1HD HIS 62 7.073 -1.060 11.252 458 HD2 HIS 62 2HD HIS 62 6.679 1.388 14.655 459 HE1 HIS 62 1HE HIS 62 9.152 -1.421 12.647 460 H LEU 63 H LEU 63 3.393 0.636 8.567 461 HA LEU 63 HA LEU 63 1.875 3.029 9.215 462 1HB LEU 63 2HB LEU 63 1.887 1.157 6.843 463 2HB LEU 63 3HB LEU 63 0.681 2.431 6.986 464 HG LEU 63 HG LEU 63 2.563 3.146 5.621 465 1HD1 LEU 63 1HD1 LEU 63 2.789 5.299 6.484 466 2HD1 LEU 63 2HD1 LEU 63 1.171 4.751 6.912 467 3HD1 LEU 63 3HD1 LEU 63 2.460 4.814 8.146 468 1HD2 LEU 63 1HD2 LEU 63 4.268 3.104 8.131 469 2HD2 LEU 63 2HD2 LEU 63 4.384 1.904 6.816 470 3HD2 LEU 63 3HD2 LEU 63 4.744 3.607 6.518 471 H LYS 64 H LYS 64 -0.653 3.024 8.716 472 HA LYS 64 HA LYS 64 -1.920 0.778 10.193 473 1HB LYS 64 2HB LYS 64 -3.175 2.436 11.543 474 2HB LYS 64 3HB LYS 64 -1.527 2.167 12.036 475 1HG LYS 64 2HG LYS 64 -2.388 4.493 10.260 476 2HG LYS 64 3HG LYS 64 -2.438 4.581 12.006 477 1HD LYS 64 2HD LYS 64 0.153 4.196 10.385 478 2HD LYS 64 3HD LYS 64 -0.547 5.655 10.936 479 1HE LYS 64 2HE LYS 64 1.066 5.220 12.568 480 2HE LYS 64 3HE LYS 64 -0.425 4.681 13.348 481 1HZ LYS 64 1HZ LYS 64 0.226 2.398 12.659 482 2HZ LYS 64 2HZ LYS 64 1.625 2.969 12.042 483 3HZ LYS 64 3HZ LYS 64 1.337 3.100 13.639 484 H ILE 65 H ILE 65 -2.131 0.608 7.852 485 HA ILE 65 HA ILE 65 -4.060 2.314 6.550 486 HB ILE 65 HB ILE 65 -3.251 -0.417 5.618 487 1HG1 ILE 65 2HG1 ILE 65 -1.537 2.024 5.689 488 2HG1 ILE 65 3HG1 ILE 65 -1.158 0.318 6.017 489 1HG2 ILE 65 1HG2 ILE 65 -5.026 0.734 4.355 490 2HG2 ILE 65 2HG2 ILE 65 -3.925 2.068 4.017 491 3HG2 ILE 65 3HG2 ILE 65 -3.599 0.466 3.360 492 1HD1 ILE 65 1HD1 ILE 65 -1.404 1.642 3.306 493 2HD1 ILE 65 2HD1 ILE 65 0.032 0.969 4.073 494 3HD1 ILE 65 3HD1 ILE 65 -1.260 -0.111 3.528 495 H ILE 66 H ILE 66 -6.285 1.860 6.158 496 HA ILE 66 HA ILE 66 -7.439 -0.456 7.641 497 HB ILE 66 HB ILE 66 -8.367 2.436 7.603 498 1HG1 ILE 66 2HG1 ILE 66 -7.349 0.700 9.909 499 2HG1 ILE 66 3HG1 ILE 66 -6.410 1.959 9.099 500 1HG2 ILE 66 1HG2 ILE 66 -10.292 0.823 7.596 501 2HG2 ILE 66 2HG2 ILE 66 -9.615 0.051 9.045 502 3HG2 ILE 66 3HG2 ILE 66 -10.184 1.729 9.090 503 1HD1 ILE 66 1HD1 ILE 66 -7.229 2.887 11.118 504 2HD1 ILE 66 2HD1 ILE 66 -8.089 3.662 9.774 505 3HD1 ILE 66 3HD1 ILE 66 -8.897 2.421 10.768 506 HA PRO 67 HA PRO 67 -9.512 -0.900 3.603 507 1HB PRO 67 2HB PRO 67 -11.464 -2.700 4.314 508 2HB PRO 67 3HB PRO 67 -9.769 -3.171 4.045 509 1HG PRO 67 2HG PRO 67 -11.130 -2.604 6.677 510 2HG PRO 67 3HG PRO 67 -10.053 -3.969 6.266 511 1HD PRO 67 2HD PRO 67 -9.175 -1.787 7.595 512 2HD PRO 67 3HD PRO 67 -8.126 -2.587 6.390 513 H GLU 68 H GLU 68 -10.567 0.991 3.117 514 HA GLU 68 HA GLU 68 -12.586 2.129 4.795 515 1HB GLU 68 2HB GLU 68 -13.138 3.507 2.787 516 2HB GLU 68 3HB GLU 68 -11.467 3.590 3.385 517 1HG GLU 68 2HG GLU 68 -10.651 2.256 1.546 518 2HG GLU 68 3HG GLU 68 -12.297 1.965 0.958 519 H LYS 69 H LYS 69 -14.790 1.971 4.745 520 HA LYS 69 HA LYS 69 -16.041 -0.135 3.070 521 1HB LYS 69 2HB LYS 69 -15.620 -0.081 5.990 522 2HB LYS 69 3HB LYS 69 -17.335 -0.093 5.612 523 1HG LYS 69 2HG LYS 69 -15.338 -2.089 4.475 524 2HG LYS 69 3HG LYS 69 -16.284 -2.322 5.954 525 1HD LYS 69 2HD LYS 69 -18.404 -1.896 4.516 526 2HD LYS 69 3HD LYS 69 -17.351 -1.981 3.106 527 1HE LYS 69 2HE LYS 69 -18.348 -4.126 3.343 528 2HE LYS 69 3HE LYS 69 -16.645 -4.296 3.792 529 1HZ LYS 69 1HZ LYS 69 -18.910 -4.036 5.673 530 2HZ LYS 69 2HZ LYS 69 -18.126 -5.433 5.309 531 3HZ LYS 69 3HZ LYS 69 -17.333 -4.235 6.105 532 H GLU 70 H GLU 70 -17.777 0.720 2.033 533 HA GLU 70 HA GLU 70 -19.457 2.769 3.206 534 1HB GLU 70 2HB GLU 70 -17.429 3.977 2.239 535 2HB GLU 70 3HB GLU 70 -17.849 3.314 0.652 536 1HG GLU 70 2HG GLU 70 -19.973 4.564 0.697 537 2HG GLU 70 3HG GLU 70 -19.635 5.114 2.351 538 H ALA 71 H ALA 71 -21.561 2.527 2.206 539 HA ALA 71 HA ALA 71 -22.148 1.294 -0.223 540 1HB ALA 71 1HB ALA 71 -23.106 -0.823 0.712 541 2HB ALA 71 2HB ALA 71 -21.339 -0.824 0.823 542 3HB ALA 71 3HB ALA 71 -22.321 -0.485 2.268 Start of MODEL 15 1 1H MET 1 H1 MET 1 -13.285 -15.660 -5.494 2 2H MET 1 H2 MET 1 -14.879 -15.667 -5.006 3 3H MET 1 H3 MET 1 -14.456 -15.201 -6.545 4 HA MET 1 HA MET 1 -14.844 -13.218 -5.361 5 1HB MET 1 2HB MET 1 -13.567 -14.797 -3.218 6 2HB MET 1 3HB MET 1 -12.799 -13.222 -3.390 7 1HG MET 1 2HG MET 1 -14.926 -12.080 -3.119 8 2HG MET 1 3HG MET 1 -15.787 -13.630 -3.017 9 1HE MET 1 1HE MET 1 -15.965 -12.109 0.629 10 2HE MET 1 2HE MET 1 -15.931 -11.172 -0.882 11 3HE MET 1 3HE MET 1 -16.917 -12.655 -0.773 12 H ALA 2 H ALA 2 -13.711 -11.576 -6.394 13 HA ALA 2 HA ALA 2 -10.950 -11.206 -6.489 14 1HB ALA 2 1HB ALA 2 -12.097 -12.497 -9.013 15 2HB ALA 2 2HB ALA 2 -10.555 -11.622 -8.932 16 3HB ALA 2 3HB ALA 2 -10.757 -13.118 -8.024 17 H GLU 3 H GLU 3 -10.834 -9.002 -6.873 18 HA GLU 3 HA GLU 3 -12.134 -7.507 -8.817 19 1HB GLU 3 2HB GLU 3 -13.843 -7.994 -6.520 20 2HB GLU 3 3HB GLU 3 -13.334 -6.320 -6.441 21 1HG GLU 3 2HG GLU 3 -14.571 -7.579 -8.932 22 2HG GLU 3 3HG GLU 3 -15.510 -6.797 -7.660 23 H LYS 4 H LYS 4 -11.860 -5.044 -7.888 24 HA LYS 4 HA LYS 4 -9.118 -4.856 -6.771 25 1HB LYS 4 2HB LYS 4 -9.342 -2.451 -7.206 26 2HB LYS 4 3HB LYS 4 -9.651 -3.405 -8.657 27 1HG LYS 4 2HG LYS 4 -12.148 -2.944 -7.226 28 2HG LYS 4 3HG LYS 4 -11.307 -1.405 -7.451 29 1HD LYS 4 2HD LYS 4 -11.198 -1.722 -9.858 30 2HD LYS 4 3HD LYS 4 -11.728 -3.390 -9.707 31 1HE LYS 4 2HE LYS 4 -13.823 -2.107 -8.426 32 2HE LYS 4 3HE LYS 4 -13.339 -0.859 -9.583 33 1HZ LYS 4 1HZ LYS 4 -14.228 -3.642 -10.040 34 2HZ LYS 4 2HZ LYS 4 -14.997 -2.283 -10.504 35 3HZ LYS 4 3HZ LYS 4 -13.597 -2.711 -11.269 36 H THR 5 H THR 5 -8.756 -3.207 -4.956 37 HA THR 5 HA THR 5 -11.080 -2.600 -3.317 38 HB THR 5 HB THR 5 -8.801 -4.297 -2.138 39 HG1 THR 5 1HG THR 5 -11.214 -4.700 -3.216 40 1HG2 THR 5 1HG2 THR 5 -9.726 -2.649 -0.462 41 2HG2 THR 5 2HG2 THR 5 -11.368 -3.172 -0.878 42 3HG2 THR 5 3HG2 THR 5 -10.252 -4.301 -0.097 43 H VAL 6 H VAL 6 -10.609 -0.792 -2.036 44 HA VAL 6 HA VAL 6 -7.841 -0.080 -1.991 45 HB VAL 6 HB VAL 6 -8.684 1.262 -3.749 46 1HG1 VAL 6 1HG1 VAL 6 -11.050 2.077 -2.077 47 2HG1 VAL 6 2HG1 VAL 6 -10.590 2.756 -3.662 48 3HG1 VAL 6 3HG1 VAL 6 -11.036 1.056 -3.541 49 1HG2 VAL 6 1HG2 VAL 6 -7.299 2.601 -2.122 50 2HG2 VAL 6 2HG2 VAL 6 -8.484 3.611 -2.958 51 3HG2 VAL 6 3HG2 VAL 6 -8.788 3.073 -1.294 52 H TYR 7 H TYR 7 -7.124 1.142 -0.256 53 HA TYR 7 HA TYR 7 -8.880 0.980 2.155 54 1HB TYR 7 2HB TYR 7 -5.972 0.131 1.971 55 2HB TYR 7 3HB TYR 7 -7.077 -0.001 3.347 56 HD1 TYR 7 HD1 TYR 7 -6.569 -1.302 -0.159 57 HD2 TYR 7 HD2 TYR 7 -7.812 -2.110 3.875 58 HE1 TYR 7 HE1 TYR 7 -6.825 -3.685 -0.711 59 HE2 TYR 7 HE2 TYR 7 -8.172 -4.482 3.291 60 HH TYR 7 HH TYR 7 -7.675 -5.791 0.070 61 H ARG 8 H ARG 8 -8.327 2.592 3.739 62 HA ARG 8 HA ARG 8 -6.903 4.941 2.565 63 1HB ARG 8 2HB ARG 8 -8.652 4.621 5.047 64 2HB ARG 8 3HB ARG 8 -7.753 6.097 4.638 65 1HG ARG 8 2HG ARG 8 -8.897 6.148 2.421 66 2HG ARG 8 3HG ARG 8 -9.883 4.772 2.937 67 1HD ARG 8 2HD ARG 8 -9.747 7.456 4.395 68 2HD ARG 8 3HD ARG 8 -10.919 7.122 3.136 69 HE ARG 8 HE ARG 8 -10.749 5.840 5.828 70 1HH1 ARG 8 2HH2 ARG 8 -12.588 5.853 2.818 71 2HH1 ARG 8 1HH2 ARG 8 -14.148 5.983 3.560 72 1HH2 ARG 8 2HH1 ARG 8 -12.814 5.579 6.850 73 2HH2 ARG 8 1HH1 ARG 8 -14.257 5.542 5.889 74 H VAL 9 H VAL 9 -4.851 5.453 3.184 75 HA VAL 9 HA VAL 9 -3.740 4.178 5.641 76 HB VAL 9 HB VAL 9 -2.487 3.207 3.875 77 1HG1 VAL 9 1HG1 VAL 9 -1.322 4.566 2.137 78 2HG1 VAL 9 2HG1 VAL 9 -3.073 4.604 1.966 79 3HG1 VAL 9 3HG1 VAL 9 -2.223 6.000 2.667 80 1HG2 VAL 9 1HG2 VAL 9 -0.828 5.578 4.771 81 2HG2 VAL 9 2HG2 VAL 9 -1.278 4.217 5.852 82 3HG2 VAL 9 3HG2 VAL 9 -0.323 3.929 4.429 83 H ASP 10 H ASP 10 -2.360 5.532 6.900 84 HA ASP 10 HA ASP 10 -2.302 8.415 6.277 85 1HB ASP 10 2HB ASP 10 -4.467 7.764 7.608 86 2HB ASP 10 3HB ASP 10 -3.318 7.205 8.813 87 H GLY 11 H GLY 11 -0.910 9.405 8.039 88 1HA GLY 11 1HA GLY 11 0.575 9.141 9.868 89 2HA GLY 11 2HA GLY 11 1.008 7.509 9.360 90 H LEU 12 H LEU 12 2.008 7.535 6.954 91 HA LEU 12 HA LEU 12 4.447 9.063 7.387 92 1HB LEU 12 2HB LEU 12 5.496 7.852 5.755 93 2HB LEU 12 3HB LEU 12 4.408 6.724 6.516 94 HG LEU 12 HG LEU 12 2.813 7.138 4.480 95 1HD1 LEU 12 1HD1 LEU 12 4.337 7.735 2.380 96 2HD1 LEU 12 2HD1 LEU 12 3.752 9.076 3.330 97 3HD1 LEU 12 3HD1 LEU 12 5.415 8.480 3.553 98 1HD2 LEU 12 1HD2 LEU 12 3.833 5.080 4.587 99 2HD2 LEU 12 2HD2 LEU 12 4.374 5.645 3.023 100 3HD2 LEU 12 3HD2 LEU 12 5.473 5.723 4.424 101 H SER 13 H SER 13 5.446 10.510 5.794 102 HA SER 13 HA SER 13 3.717 11.693 3.729 103 1HB SER 13 2HB SER 13 4.711 13.377 6.059 104 2HB SER 13 3HB SER 13 3.871 13.958 4.611 105 HG SER 13 HG SER 13 2.294 12.106 5.520 106 H CYS 14 H CYS 14 5.565 10.432 2.701 107 HA CYS 14 HA CYS 14 7.508 12.412 1.840 108 1HB CYS 14 2HB CYS 14 8.717 11.535 3.805 109 2HB CYS 14 3HB CYS 14 8.501 9.872 3.205 110 HG CYS 14 HG CYS 14 9.994 12.440 1.756 111 H THR 15 H THR 15 7.506 12.215 -0.343 112 HA THR 15 HA THR 15 6.358 10.327 -1.868 113 HB THR 15 HB THR 15 8.916 11.773 -2.660 114 HG1 THR 15 1HG THR 15 7.479 13.586 -2.931 115 1HG2 THR 15 1HG2 THR 15 6.273 11.267 -4.115 116 2HG2 THR 15 2HG2 THR 15 7.689 12.111 -4.781 117 3HG2 THR 15 3HG2 THR 15 7.789 10.384 -4.397 118 H ASN 16 H ASN 16 9.811 10.290 -0.779 119 HA ASN 16 HA ASN 16 10.685 8.090 -2.195 120 1HB ASN 16 2HB ASN 16 11.423 8.907 0.643 121 2HB ASN 16 3HB ASN 16 12.305 7.737 -0.335 122 1HD2 ASN 16 1HD2 ASN 16 14.039 8.551 -1.474 123 2HD2 ASN 16 2HD2 ASN 16 14.187 10.229 -1.961 124 H CYS 17 H CYS 17 8.814 8.178 0.867 125 HA CYS 17 HA CYS 17 9.012 5.292 1.266 126 1HB CYS 17 2HB CYS 17 7.547 7.528 2.657 127 2HB CYS 17 3HB CYS 17 7.034 5.839 2.858 128 HG CYS 17 HG CYS 17 8.560 6.425 4.886 129 H ALA 18 H ALA 18 6.615 7.557 -0.160 130 HA ALA 18 HA ALA 18 4.632 5.574 -0.718 131 1HB ALA 18 1HB ALA 18 4.278 8.028 -1.007 132 2HB ALA 18 2HB ALA 18 5.339 7.996 -2.431 133 3HB ALA 18 3HB ALA 18 3.822 7.085 -2.441 134 H ALA 19 H ALA 19 7.522 6.565 -2.545 135 HA ALA 19 HA ALA 19 7.114 4.832 -4.791 136 1HB ALA 19 1HB ALA 19 9.471 5.280 -5.299 137 2HB ALA 19 2HB ALA 19 8.623 6.771 -4.845 138 3HB ALA 19 3HB ALA 19 9.713 5.981 -3.687 139 H LYS 20 H LYS 20 9.117 4.466 -1.840 140 HA LYS 20 HA LYS 20 10.086 1.862 -2.195 141 1HB LYS 20 2HB LYS 20 10.545 3.533 -0.305 142 2HB LYS 20 3HB LYS 20 8.997 3.072 0.380 143 1HG LYS 20 2HG LYS 20 10.100 1.598 1.563 144 2HG LYS 20 3HG LYS 20 10.145 0.583 0.132 145 1HD LYS 20 2HD LYS 20 12.364 1.300 -0.434 146 2HD LYS 20 3HD LYS 20 12.324 2.669 0.681 147 1HE LYS 20 2HE LYS 20 12.287 -0.263 1.535 148 2HE LYS 20 3HE LYS 20 13.710 0.789 1.522 149 1HZ LYS 20 1HZ LYS 20 11.301 1.176 3.189 150 2HZ LYS 20 2HZ LYS 20 12.793 0.718 3.696 151 3HZ LYS 20 3HZ LYS 20 12.561 2.231 3.103 152 H PHE 21 H PHE 21 6.986 2.952 -0.789 153 HA PHE 21 HA PHE 21 5.885 0.421 -0.275 154 1HB PHE 21 2HB PHE 21 4.853 3.198 -0.474 155 2HB PHE 21 3HB PHE 21 3.687 1.983 -0.911 156 HD1 PHE 21 1HD PHE 21 3.415 -0.086 0.653 157 HD2 PHE 21 2HD PHE 21 5.219 3.646 1.845 158 HE1 PHE 21 1HE PHE 21 2.771 -0.517 3.008 159 HE2 PHE 21 2HE PHE 21 4.826 3.061 4.211 160 HZ PHE 21 HZ PHE 21 3.361 1.135 4.774 161 H GLU 22 H GLU 22 5.143 2.503 -3.210 162 HA GLU 22 HA GLU 22 3.481 0.481 -4.237 163 1HB GLU 22 2HB GLU 22 3.567 1.515 -6.386 164 2HB GLU 22 3HB GLU 22 3.346 2.685 -5.099 165 1HG GLU 22 2HG GLU 22 4.884 3.938 -6.079 166 2HG GLU 22 3HG GLU 22 6.074 2.781 -5.511 167 H ARG 23 H ARG 23 6.971 0.992 -4.738 168 HA ARG 23 HA ARG 23 7.395 -1.190 -6.507 169 1HB ARG 23 2HB ARG 23 9.026 0.636 -5.860 170 2HB ARG 23 3HB ARG 23 9.356 -0.255 -4.363 171 1HG ARG 23 2HG ARG 23 10.084 -2.226 -5.693 172 2HG ARG 23 3HG ARG 23 9.627 -1.384 -7.189 173 1HD ARG 23 2HD ARG 23 11.271 0.415 -6.633 174 2HD ARG 23 3HD ARG 23 11.826 -0.569 -5.250 175 HE ARG 23 HE ARG 23 11.921 -2.266 -7.456 176 1HH1 ARG 23 2HH2 ARG 23 13.455 0.743 -6.484 177 2HH1 ARG 23 1HH2 ARG 23 14.843 0.583 -7.519 178 1HH2 ARG 23 2HH1 ARG 23 13.735 -2.531 -8.870 179 2HH2 ARG 23 1HH1 ARG 23 15.004 -1.350 -8.909 180 H ASN 24 H ASN 24 7.581 -1.177 -2.880 181 HA ASN 24 HA ASN 24 8.080 -3.939 -2.528 182 1HB ASN 24 2HB ASN 24 6.809 -1.778 -0.854 183 2HB ASN 24 3HB ASN 24 6.440 -3.446 -0.449 184 1HD2 ASN 24 1HD2 ASN 24 7.554 -3.855 1.377 185 2HD2 ASN 24 2HD2 ASN 24 9.271 -3.669 1.550 186 H VAL 25 H VAL 25 4.954 -2.244 -2.973 187 HA VAL 25 HA VAL 25 3.334 -4.607 -2.675 188 HB VAL 25 HB VAL 25 2.742 -1.943 -4.024 189 1HG1 VAL 25 1HG1 VAL 25 0.926 -4.248 -3.180 190 2HG1 VAL 25 2HG1 VAL 25 0.356 -2.621 -3.593 191 3HG1 VAL 25 3HG1 VAL 25 1.154 -3.620 -4.822 192 1HG2 VAL 25 1HG2 VAL 25 3.270 -1.747 -1.581 193 2HG2 VAL 25 2HG2 VAL 25 1.554 -1.483 -1.887 194 3HG2 VAL 25 3HG2 VAL 25 2.141 -3.039 -1.247 195 H LYS 26 H LYS 26 4.679 -2.949 -5.532 196 HA LYS 26 HA LYS 26 3.660 -4.649 -7.564 197 1HB LYS 26 2HB LYS 26 6.015 -2.823 -7.204 198 2HB LYS 26 3HB LYS 26 5.982 -3.825 -8.633 199 1HG LYS 26 2HG LYS 26 4.068 -2.798 -9.495 200 2HG LYS 26 3HG LYS 26 3.553 -2.163 -7.918 201 1HD LYS 26 2HD LYS 26 5.065 -0.430 -7.907 202 2HD LYS 26 3HD LYS 26 6.227 -1.249 -8.954 203 1HE LYS 26 2HE LYS 26 4.914 -0.816 -10.919 204 2HE LYS 26 3HE LYS 26 3.557 -0.178 -9.968 205 1HZ LYS 26 1HZ LYS 26 5.465 1.394 -10.997 206 2HZ LYS 26 2HZ LYS 26 4.622 1.774 -9.629 207 3HZ LYS 26 3HZ LYS 26 6.044 1.158 -9.442 208 H GLU 27 H GLU 27 6.552 -5.005 -5.448 209 HA GLU 27 HA GLU 27 7.420 -7.476 -6.626 210 1HB GLU 27 2HB GLU 27 7.935 -6.205 -3.931 211 2HB GLU 27 3HB GLU 27 8.719 -7.682 -4.467 212 1HG GLU 27 2HG GLU 27 8.886 -5.322 -6.335 213 2HG GLU 27 3HG GLU 27 9.803 -5.259 -4.826 214 H ILE 28 H ILE 28 4.444 -7.081 -5.008 215 HA ILE 28 HA ILE 28 4.613 -9.627 -3.513 216 HB ILE 28 HB ILE 28 2.325 -7.791 -4.107 217 1HG1 ILE 28 2HG1 ILE 28 3.990 -6.736 -2.614 218 2HG1 ILE 28 3HG1 ILE 28 2.444 -6.996 -1.816 219 1HG2 ILE 28 1HG2 ILE 28 1.318 -9.863 -3.755 220 2HG2 ILE 28 2HG2 ILE 28 2.359 -10.235 -2.365 221 3HG2 ILE 28 3HG2 ILE 28 1.116 -8.959 -2.269 222 1HD1 ILE 28 1HD1 ILE 28 4.254 -7.523 -0.298 223 2HD1 ILE 28 2HD1 ILE 28 3.442 -9.042 -0.704 224 3HD1 ILE 28 3HD1 ILE 28 4.996 -8.629 -1.463 225 H GLU 29 H GLU 29 4.079 -11.544 -4.342 226 HA GLU 29 HA GLU 29 2.947 -12.001 -6.935 227 1HB GLU 29 2HB GLU 29 3.626 -13.657 -4.461 228 2HB GLU 29 3HB GLU 29 2.737 -14.332 -5.805 229 1HG GLU 29 2HG GLU 29 5.073 -14.868 -6.103 230 2HG GLU 29 3HG GLU 29 4.596 -13.722 -7.365 231 H GLY 30 H GLY 30 0.871 -11.850 -7.406 232 1HA GLY 30 1HA GLY 30 -1.266 -13.069 -6.967 233 2HA GLY 30 2HA GLY 30 -1.259 -12.383 -5.337 234 H VAL 31 H VAL 31 -0.269 -9.743 -6.086 235 HA VAL 31 HA VAL 31 -2.753 -8.574 -7.024 236 HB VAL 31 HB VAL 31 -1.287 -7.687 -5.190 237 1HG1 VAL 31 1HG1 VAL 31 0.892 -7.990 -6.304 238 2HG1 VAL 31 2HG1 VAL 31 0.479 -6.699 -7.456 239 3HG1 VAL 31 3HG1 VAL 31 0.630 -6.338 -5.721 240 1HG2 VAL 31 1HG2 VAL 31 -1.643 -5.375 -5.720 241 2HG2 VAL 31 2HG2 VAL 31 -1.819 -5.744 -7.442 242 3HG2 VAL 31 3HG2 VAL 31 -3.026 -6.346 -6.269 243 H THR 32 H THR 32 -2.760 -7.091 -8.875 244 HA THR 32 HA THR 32 -0.980 -7.891 -11.136 245 HB THR 32 HB THR 32 -3.911 -7.056 -11.259 246 HG1 THR 32 1HG THR 32 -2.598 -9.557 -11.304 247 1HG2 THR 32 1HG2 THR 32 -3.744 -7.834 -13.602 248 2HG2 THR 32 2HG2 THR 32 -2.684 -6.451 -13.298 249 3HG2 THR 32 3HG2 THR 32 -1.997 -8.085 -13.400 250 H GLU 33 H GLU 33 -3.193 -5.312 -9.892 251 HA GLU 33 HA GLU 33 -0.936 -3.383 -10.469 252 1HB GLU 33 2HB GLU 33 -3.872 -2.795 -11.049 253 2HB GLU 33 3HB GLU 33 -2.526 -1.652 -11.092 254 1HG GLU 33 2HG GLU 33 -1.425 -3.181 -12.815 255 2HG GLU 33 3HG GLU 33 -2.958 -4.061 -12.899 256 H ALA 34 H ALA 34 -0.621 -1.747 -8.909 257 HA ALA 34 HA ALA 34 -2.745 -1.453 -6.896 258 1HB ALA 34 1HB ALA 34 -1.092 -1.374 -5.057 259 2HB ALA 34 2HB ALA 34 -1.121 -2.981 -5.815 260 3HB ALA 34 3HB ALA 34 0.198 -1.843 -6.189 261 H ILE 35 H ILE 35 -2.938 0.701 -6.217 262 HA ILE 35 HA ILE 35 -1.043 2.633 -7.569 263 HB ILE 35 HB ILE 35 -4.063 2.920 -7.464 264 1HG1 ILE 35 2HG1 ILE 35 -2.272 2.539 -9.905 265 2HG1 ILE 35 3HG1 ILE 35 -3.199 1.228 -9.168 266 1HG2 ILE 35 1HG2 ILE 35 -3.634 4.982 -8.770 267 2HG2 ILE 35 2HG2 ILE 35 -2.819 5.059 -7.216 268 3HG2 ILE 35 3HG2 ILE 35 -1.888 4.683 -8.678 269 1HD1 ILE 35 1HD1 ILE 35 -4.438 2.052 -11.032 270 2HD1 ILE 35 2HD1 ILE 35 -5.306 2.454 -9.539 271 3HD1 ILE 35 3HD1 ILE 35 -4.406 3.711 -10.422 272 H VAL 36 H VAL 36 0.052 3.520 -5.875 273 HA VAL 36 HA VAL 36 -1.412 3.730 -3.308 274 HB VAL 36 HB VAL 36 0.440 3.322 -2.232 275 1HG1 VAL 36 1HG1 VAL 36 1.523 1.386 -3.107 276 2HG1 VAL 36 2HG1 VAL 36 -0.114 1.375 -3.781 277 3HG1 VAL 36 3HG1 VAL 36 1.237 1.885 -4.787 278 1HG2 VAL 36 1HG2 VAL 36 2.129 4.341 -4.535 279 2HG2 VAL 36 2HG2 VAL 36 1.917 5.094 -2.955 280 3HG2 VAL 36 3HG2 VAL 36 2.792 3.567 -3.067 281 H ASN 37 H ASN 37 -1.955 5.648 -2.472 282 HA ASN 37 HA ASN 37 -0.334 8.059 -3.215 283 1HB ASN 37 2HB ASN 37 -3.288 7.914 -2.501 284 2HB ASN 37 3HB ASN 37 -2.339 9.386 -2.785 285 1HD2 ASN 37 1HD2 ASN 37 -4.536 9.350 -4.227 286 2HD2 ASN 37 2HD2 ASN 37 -4.215 8.852 -5.878 287 H PHE 38 H PHE 38 0.809 6.567 -1.388 288 HA PHE 38 HA PHE 38 -0.086 7.019 1.335 289 1HB PHE 38 2HB PHE 38 2.681 6.513 0.172 290 2HB PHE 38 3HB PHE 38 2.363 6.759 1.877 291 HD1 PHE 38 1HD PHE 38 1.592 5.026 3.321 292 HD2 PHE 38 2HD PHE 38 1.950 4.395 -0.892 293 HE1 PHE 38 1HE PHE 38 1.137 2.597 3.610 294 HE2 PHE 38 2HE PHE 38 1.246 2.017 -0.602 295 HZ PHE 38 HZ PHE 38 0.704 1.170 1.655 296 H GLY 39 H GLY 39 0.190 8.821 2.594 297 1HA GLY 39 1HA GLY 39 1.952 10.735 2.794 298 2HA GLY 39 2HA GLY 39 1.180 11.301 1.301 299 H ALA 40 H ALA 40 -1.365 10.871 1.508 300 HA ALA 40 HA ALA 40 -2.669 11.242 4.022 301 1HB ALA 40 1HB ALA 40 -2.353 13.752 2.304 302 2HB ALA 40 2HB ALA 40 -3.483 13.578 3.664 303 3HB ALA 40 3HB ALA 40 -1.744 13.532 3.959 304 H SER 41 H SER 41 -3.159 9.358 2.240 305 HA SER 41 HA SER 41 -5.790 9.950 1.196 306 1HB SER 41 2HB SER 41 -3.472 9.812 -0.720 307 2HB SER 41 3HB SER 41 -5.076 9.234 -1.207 308 HG SER 41 HG SER 41 -4.780 11.763 -0.037 309 H LYS 42 H LYS 42 -4.120 7.484 -0.560 310 HA LYS 42 HA LYS 42 -5.092 5.338 1.084 311 1HB LYS 42 2HB LYS 42 -7.026 4.744 -0.395 312 2HB LYS 42 3HB LYS 42 -7.250 6.211 0.542 313 1HG LYS 42 2HG LYS 42 -6.307 7.322 -1.776 314 2HG LYS 42 3HG LYS 42 -7.036 5.863 -2.431 315 1HD LYS 42 2HD LYS 42 -8.401 7.852 -0.551 316 2HD LYS 42 3HD LYS 42 -8.571 7.875 -2.310 317 1HE LYS 42 2HE LYS 42 -9.935 5.993 -2.387 318 2HE LYS 42 3HE LYS 42 -9.137 5.241 -1.013 319 1HZ LYS 42 1HZ LYS 42 -11.233 7.272 -0.803 320 2HZ LYS 42 2HZ LYS 42 -11.217 5.668 -0.393 321 3HZ LYS 42 3HZ LYS 42 -10.337 6.679 0.468 322 H ILE 43 H ILE 43 -5.265 3.294 -0.101 323 HA ILE 43 HA ILE 43 -3.246 3.128 -2.276 324 HB ILE 43 HB ILE 43 -2.135 2.889 -0.168 325 1HG1 ILE 43 2HG1 ILE 43 -1.246 1.616 -2.007 326 2HG1 ILE 43 3HG1 ILE 43 -0.903 0.901 -0.444 327 1HG2 ILE 43 1HG2 ILE 43 -3.875 2.169 1.325 328 2HG2 ILE 43 2HG2 ILE 43 -3.984 0.594 0.519 329 3HG2 ILE 43 3HG2 ILE 43 -2.506 1.061 1.376 330 1HD1 ILE 43 1HD1 ILE 43 -2.927 -0.131 -2.444 331 2HD1 ILE 43 2HD1 ILE 43 -1.375 -0.840 -2.014 332 3HD1 ILE 43 3HD1 ILE 43 -2.680 -0.796 -0.815 333 H THR 44 H THR 44 -4.179 2.229 -3.961 334 HA THR 44 HA THR 44 -6.479 0.383 -3.640 335 HB THR 44 HB THR 44 -5.344 1.721 -6.113 336 HG1 THR 44 1HG THR 44 -6.725 2.595 -4.173 337 1HG2 THR 44 1HG2 THR 44 -7.878 0.066 -5.739 338 2HG2 THR 44 2HG2 THR 44 -7.489 1.044 -7.167 339 3HG2 THR 44 3HG2 THR 44 -6.489 -0.357 -6.767 340 H VAL 45 H VAL 45 -6.400 -1.670 -4.322 341 HA VAL 45 HA VAL 45 -3.861 -2.872 -5.285 342 HB VAL 45 HB VAL 45 -5.797 -3.745 -3.131 343 1HG1 VAL 45 1HG1 VAL 45 -3.295 -5.203 -4.089 344 2HG1 VAL 45 2HG1 VAL 45 -4.358 -5.726 -2.773 345 3HG1 VAL 45 3HG1 VAL 45 -4.962 -5.725 -4.434 346 1HG2 VAL 45 1HG2 VAL 45 -2.891 -2.910 -2.918 347 2HG2 VAL 45 2HG2 VAL 45 -4.314 -2.118 -2.194 348 3HG2 VAL 45 3HG2 VAL 45 -3.797 -3.701 -1.609 349 H THR 46 H THR 46 -4.322 -4.264 -7.034 350 HA THR 46 HA THR 46 -7.077 -5.180 -7.493 351 HB THR 46 HB THR 46 -5.386 -3.521 -9.450 352 HG1 THR 46 1HG THR 46 -7.279 -3.163 -7.632 353 1HG2 THR 46 1HG2 THR 46 -8.084 -4.922 -9.835 354 2HG2 THR 46 2HG2 THR 46 -7.386 -3.722 -10.942 355 3HG2 THR 46 3HG2 THR 46 -6.580 -5.282 -10.714 356 H GLY 47 H GLY 47 -7.009 -7.180 -8.153 357 1HA GLY 47 1HA GLY 47 -5.554 -8.332 -10.054 358 2HA GLY 47 2HA GLY 47 -4.372 -8.381 -8.774 359 H GLU 48 H GLU 48 -4.540 -9.656 -7.029 360 HA GLU 48 HA GLU 48 -6.955 -10.813 -6.014 361 1HB GLU 48 2HB GLU 48 -6.039 -12.259 -8.120 362 2HB GLU 48 3HB GLU 48 -5.028 -12.979 -6.877 363 1HG GLU 48 2HG GLU 48 -8.082 -12.738 -6.788 364 2HG GLU 48 3HG GLU 48 -7.188 -14.165 -7.320 365 H ALA 49 H ALA 49 -5.624 -9.149 -4.571 366 HA ALA 49 HA ALA 49 -4.463 -10.820 -2.486 367 1HB ALA 49 1HB ALA 49 -2.906 -8.483 -3.675 368 2HB ALA 49 2HB ALA 49 -2.459 -9.386 -2.217 369 3HB ALA 49 3HB ALA 49 -2.450 -10.201 -3.790 370 H SER 50 H SER 50 -4.124 -9.481 -0.462 371 HA SER 50 HA SER 50 -6.169 -7.331 -0.197 372 1HB SER 50 2HB SER 50 -5.410 -9.597 1.709 373 2HB SER 50 3HB SER 50 -6.440 -8.229 2.143 374 HG SER 50 HG SER 50 -6.962 -9.981 -0.041 375 H ILE 51 H ILE 51 -5.704 -5.793 1.641 376 HA ILE 51 HA ILE 51 -3.238 -4.727 1.328 377 HB ILE 51 HB ILE 51 -5.322 -3.604 2.395 378 1HG1 ILE 51 2HG1 ILE 51 -4.023 -2.060 3.695 379 2HG1 ILE 51 3HG1 ILE 51 -2.589 -3.042 3.378 380 1HG2 ILE 51 1HG2 ILE 51 -5.510 -3.547 4.775 381 2HG2 ILE 51 2HG2 ILE 51 -5.473 -5.265 4.345 382 3HG2 ILE 51 3HG2 ILE 51 -4.016 -4.461 4.998 383 1HD1 ILE 51 1HD1 ILE 51 -3.067 -2.673 0.858 384 2HD1 ILE 51 2HD1 ILE 51 -4.384 -1.611 1.357 385 3HD1 ILE 51 3HD1 ILE 51 -2.708 -1.207 1.759 386 H GLN 52 H GLN 52 -4.056 -7.191 3.675 387 HA GLN 52 HA GLN 52 -2.146 -7.261 5.579 388 1HB GLN 52 2HB GLN 52 -2.918 -9.463 3.632 389 2HB GLN 52 3HB GLN 52 -1.991 -9.771 5.106 390 1HG GLN 52 2HG GLN 52 -3.777 -9.387 6.515 391 2HG GLN 52 3HG GLN 52 -4.566 -8.245 5.430 392 1HE2 GLN 52 1HE2 GLN 52 -6.569 -9.076 4.903 393 2HE2 GLN 52 2HE2 GLN 52 -6.809 -10.723 4.349 394 H GLN 53 H GLN 53 -1.502 -8.070 2.164 395 HA GLN 53 HA GLN 53 1.289 -8.694 2.422 396 1HB GLN 53 2HB GLN 53 -0.347 -7.583 0.102 397 2HB GLN 53 3HB GLN 53 1.265 -8.276 -0.049 398 1HG GLN 53 2HG GLN 53 -0.851 -10.015 1.248 399 2HG GLN 53 3HG GLN 53 -1.028 -9.642 -0.462 400 1HE2 GLN 53 1HE2 GLN 53 -0.479 -11.564 -1.474 401 2HE2 GLN 53 2HE2 GLN 53 1.067 -12.335 -1.250 402 H VAL 54 H VAL 54 -0.420 -5.689 1.589 403 HA VAL 54 HA VAL 54 1.906 -4.073 1.044 404 HB VAL 54 HB VAL 54 -0.954 -3.256 1.715 405 1HG1 VAL 54 1HG1 VAL 54 -0.368 -1.207 0.424 406 2HG1 VAL 54 2HG1 VAL 54 0.449 -1.369 1.978 407 3HG1 VAL 54 3HG1 VAL 54 1.334 -1.710 0.487 408 1HG2 VAL 54 1HG2 VAL 54 -1.224 -4.634 -0.158 409 2HG2 VAL 54 2HG2 VAL 54 -1.067 -3.024 -0.866 410 3HG2 VAL 54 3HG2 VAL 54 0.307 -4.147 -0.881 411 H GLU 55 H GLU 55 -0.246 -4.588 3.847 412 HA GLU 55 HA GLU 55 0.795 -2.615 5.551 413 1HB GLU 55 2HB GLU 55 -1.388 -3.949 5.705 414 2HB GLU 55 3HB GLU 55 -0.431 -5.271 6.397 415 1HG GLU 55 2HG GLU 55 0.345 -3.696 8.180 416 2HG GLU 55 3HG GLU 55 -0.648 -2.420 7.449 417 H GLN 56 H GLN 56 1.473 -6.144 5.173 418 HA GLN 56 HA GLN 56 3.520 -6.355 7.056 419 1HB GLN 56 2HB GLN 56 2.348 -8.231 5.951 420 2HB GLN 56 3HB GLN 56 3.236 -7.924 4.452 421 1HG GLN 56 2HG GLN 56 5.342 -8.460 5.502 422 2HG GLN 56 3HG GLN 56 4.618 -8.453 7.117 423 1HE2 GLN 56 1HE2 GLN 56 2.967 -10.148 7.615 424 2HE2 GLN 56 2HE2 GLN 56 3.141 -11.701 6.815 425 H ALA 57 H ALA 57 3.882 -5.686 3.485 426 HA ALA 57 HA ALA 57 6.612 -5.026 3.456 427 1HB ALA 57 1HB ALA 57 4.171 -4.008 1.974 428 2HB ALA 57 2HB ALA 57 5.735 -3.252 1.719 429 3HB ALA 57 3HB ALA 57 5.509 -4.993 1.379 430 H GLY 58 H GLY 58 3.823 -2.901 4.302 431 1HA GLY 58 1HA GLY 58 5.224 -0.538 4.724 432 2HA GLY 58 2HA GLY 58 3.625 -0.999 5.398 433 H ALA 59 H ALA 59 5.037 -3.369 6.785 434 HA ALA 59 HA ALA 59 5.605 -2.314 9.283 435 1HB ALA 59 1HB ALA 59 7.000 -4.715 8.061 436 2HB ALA 59 2HB ALA 59 6.745 -4.370 9.780 437 3HB ALA 59 3HB ALA 59 5.350 -4.734 8.744 438 H PHE 60 H PHE 60 7.703 -2.099 6.393 439 HA PHE 60 HA PHE 60 10.108 -1.592 7.796 440 1HB PHE 60 2HB PHE 60 10.974 -0.521 5.912 441 2HB PHE 60 3HB PHE 60 10.049 -1.922 5.400 442 HD1 PHE 60 1HD PHE 60 9.826 1.845 5.718 443 HD2 PHE 60 2HD PHE 60 8.645 -1.669 3.505 444 HE1 PHE 60 1HE PHE 60 8.579 3.259 4.116 445 HE2 PHE 60 2HE PHE 60 7.355 -0.251 1.945 446 HZ PHE 60 HZ PHE 60 7.323 2.212 2.237 447 H GLU 61 H GLU 61 7.301 0.528 7.389 448 HA GLU 61 HA GLU 61 8.675 2.664 8.989 449 1HB GLU 61 2HB GLU 61 8.163 3.220 6.651 450 2HB GLU 61 3HB GLU 61 6.486 2.808 6.918 451 1HG GLU 61 2HG GLU 61 6.280 5.073 7.247 452 2HG GLU 61 3HG GLU 61 6.914 4.779 8.862 453 H HIS 62 H HIS 62 5.909 0.504 8.780 454 HA HIS 62 HA HIS 62 4.494 -0.240 10.346 455 1HB HIS 62 2HB HIS 62 5.142 2.005 12.267 456 2HB HIS 62 3HB HIS 62 4.407 0.446 12.592 457 HD1 HIS 62 1HD HIS 62 7.042 -1.049 10.900 458 HD2 HIS 62 2HD HIS 62 6.967 1.637 14.144 459 HE1 HIS 62 1HE HIS 62 9.187 -1.403 12.180 460 H LEU 63 H LEU 63 3.283 0.821 8.315 461 HA LEU 63 HA LEU 63 1.822 3.274 9.031 462 1HB LEU 63 2HB LEU 63 1.842 1.426 6.621 463 2HB LEU 63 3HB LEU 63 0.615 2.678 6.787 464 HG LEU 63 HG LEU 63 2.440 3.407 5.412 465 1HD1 LEU 63 1HD1 LEU 63 1.023 4.913 6.897 466 2HD1 LEU 63 2HD1 LEU 63 2.453 5.061 7.956 467 3HD1 LEU 63 3HD1 LEU 63 2.516 5.595 6.275 468 1HD2 LEU 63 1HD2 LEU 63 4.625 3.929 6.290 469 2HD2 LEU 63 2HD2 LEU 63 4.187 3.441 7.918 470 3HD2 LEU 63 3HD2 LEU 63 4.305 2.216 6.632 471 H LYS 64 H LYS 64 -0.665 3.397 8.751 472 HA LYS 64 HA LYS 64 -1.930 0.951 9.871 473 1HB LYS 64 2HB LYS 64 -3.420 2.486 11.132 474 2HB LYS 64 3HB LYS 64 -1.756 2.356 11.687 475 1HG LYS 64 2HG LYS 64 -2.142 4.523 12.029 476 2HG LYS 64 3HG LYS 64 -1.314 4.619 10.485 477 1HD LYS 64 2HD LYS 64 -3.201 5.278 9.368 478 2HD LYS 64 3HD LYS 64 -4.294 4.369 10.372 479 1HE LYS 64 2HE LYS 64 -3.974 5.950 12.278 480 2HE LYS 64 3HE LYS 64 -2.853 6.925 11.314 481 1HZ LYS 64 1HZ LYS 64 -4.600 7.797 10.098 482 2HZ LYS 64 2HZ LYS 64 -5.660 6.577 10.485 483 3HZ LYS 64 3HZ LYS 64 -5.181 7.726 11.568 484 H ILE 65 H ILE 65 -3.132 0.142 8.255 485 HA ILE 65 HA ILE 65 -4.347 2.060 6.342 486 HB ILE 65 HB ILE 65 -3.796 -0.791 5.605 487 1HG1 ILE 65 2HG1 ILE 65 -1.744 1.397 5.771 488 2HG1 ILE 65 3HG1 ILE 65 -1.673 -0.339 6.203 489 1HG2 ILE 65 1HG2 ILE 65 -3.883 0.199 3.346 490 2HG2 ILE 65 2HG2 ILE 65 -5.304 0.618 4.307 491 3HG2 ILE 65 3HG2 ILE 65 -4.055 1.815 4.049 492 1HD1 ILE 65 1HD1 ILE 65 -1.598 0.816 3.410 493 2HD1 ILE 65 2HD1 ILE 65 -0.262 0.097 4.312 494 3HD1 ILE 65 3HD1 ILE 65 -1.620 -0.923 3.821 495 H ILE 66 H ILE 66 -6.506 2.049 6.206 496 HA ILE 66 HA ILE 66 -7.991 0.115 7.889 497 HB ILE 66 HB ILE 66 -8.746 2.922 7.047 498 1HG1 ILE 66 2HG1 ILE 66 -6.781 3.126 8.436 499 2HG1 ILE 66 3HG1 ILE 66 -8.209 3.641 9.318 500 1HG2 ILE 66 1HG2 ILE 66 -10.401 2.723 8.896 501 2HG2 ILE 66 2HG2 ILE 66 -10.692 1.569 7.589 502 3HG2 ILE 66 3HG2 ILE 66 -9.949 1.020 9.101 503 1HD1 ILE 66 1HD1 ILE 66 -8.237 1.491 10.567 504 2HD1 ILE 66 2HD1 ILE 66 -6.788 0.963 9.681 505 3HD1 ILE 66 3HD1 ILE 66 -6.709 2.363 10.757 506 HA PRO 67 HA PRO 67 -9.837 -1.016 3.870 507 1HB PRO 67 2HB PRO 67 -11.553 -2.966 4.716 508 2HB PRO 67 3HB PRO 67 -9.792 -3.221 4.669 509 1HG PRO 67 2HG PRO 67 -11.461 -2.453 7.064 510 2HG PRO 67 3HG PRO 67 -10.219 -3.732 6.954 511 1HD PRO 67 2HD PRO 67 -9.701 -1.262 7.964 512 2HD PRO 67 3HD PRO 67 -8.464 -2.146 7.019 513 H GLU 68 H GLU 68 -10.803 1.020 3.516 514 HA GLU 68 HA GLU 68 -13.104 1.920 4.886 515 1HB GLU 68 2HB GLU 68 -13.405 3.459 3.003 516 2HB GLU 68 3HB GLU 68 -11.772 3.466 3.706 517 1HG GLU 68 2HG GLU 68 -10.931 2.164 1.778 518 2HG GLU 68 3HG GLU 68 -12.555 2.128 1.087 519 H LYS 69 H LYS 69 -15.038 1.025 4.983 520 HA LYS 69 HA LYS 69 -16.164 -0.502 2.670 521 1HB LYS 69 2HB LYS 69 -16.964 -0.245 5.592 522 2HB LYS 69 3HB LYS 69 -17.966 -1.011 4.344 523 1HG LYS 69 2HG LYS 69 -16.189 -2.590 3.810 524 2HG LYS 69 3HG LYS 69 -15.108 -1.857 5.010 525 1HD LYS 69 2HD LYS 69 -16.514 -2.473 6.843 526 2HD LYS 69 3HD LYS 69 -17.849 -2.956 5.796 527 1HE LYS 69 2HE LYS 69 -15.120 -4.346 5.873 528 2HE LYS 69 3HE LYS 69 -16.532 -4.871 6.802 529 1HZ LYS 69 1HZ LYS 69 -16.393 -4.742 3.862 530 2HZ LYS 69 2HZ LYS 69 -16.346 -6.104 4.779 531 3HZ LYS 69 3HZ LYS 69 -17.713 -5.191 4.736 532 H GLU 70 H GLU 70 -16.238 1.443 1.404 533 HA GLU 70 HA GLU 70 -17.837 3.702 2.131 534 1HB GLU 70 2HB GLU 70 -16.102 3.495 0.279 535 2HB GLU 70 3HB GLU 70 -17.316 2.640 -0.686 536 1HG GLU 70 2HG GLU 70 -18.684 4.608 -0.821 537 2HG GLU 70 3HG GLU 70 -17.826 5.396 0.515 538 H ALA 71 H ALA 71 -20.115 3.930 2.144 539 HA ALA 71 HA ALA 71 -21.968 2.124 0.962 540 1HB ALA 71 1HB ALA 71 -21.099 0.609 2.757 541 2HB ALA 71 2HB ALA 71 -21.317 1.910 3.949 542 3HB ALA 71 3HB ALA 71 -22.730 1.189 3.153 Start of MODEL 16 1 1H MET 1 H1 MET 1 -14.357 -13.721 -4.941 2 2H MET 1 H2 MET 1 -15.338 -14.352 -6.140 3 3H MET 1 H3 MET 1 -13.684 -14.537 -6.179 4 HA MET 1 HA MET 1 -14.027 -12.797 -7.653 5 1HB MET 1 2HB MET 1 -16.035 -11.941 -5.546 6 2HB MET 1 3HB MET 1 -15.322 -10.732 -6.618 7 1HG MET 1 2HG MET 1 -16.127 -11.756 -8.579 8 2HG MET 1 3HG MET 1 -16.636 -13.229 -7.751 9 1HE MET 1 1HE MET 1 -18.337 -12.443 -5.303 10 2HE MET 1 2HE MET 1 -19.940 -12.254 -6.047 11 3HE MET 1 3HE MET 1 -18.877 -13.576 -6.572 12 H ALA 2 H ALA 2 -12.731 -10.795 -7.550 13 HA ALA 2 HA ALA 2 -11.127 -10.450 -5.060 14 1HB ALA 2 1HB ALA 2 -10.025 -11.013 -7.861 15 2HB ALA 2 2HB ALA 2 -9.081 -10.500 -6.451 16 3HB ALA 2 3HB ALA 2 -9.914 -12.069 -6.443 17 H GLU 3 H GLU 3 -11.152 -9.355 -8.469 18 HA GLU 3 HA GLU 3 -11.485 -7.381 -9.442 19 1HB GLU 3 2HB GLU 3 -13.670 -7.693 -8.000 20 2HB GLU 3 3HB GLU 3 -13.052 -6.355 -7.057 21 1HG GLU 3 2HG GLU 3 -12.758 -5.235 -9.498 22 2HG GLU 3 3HG GLU 3 -13.864 -6.517 -9.983 23 H LYS 4 H LYS 4 -11.844 -4.894 -7.581 24 HA LYS 4 HA LYS 4 -8.964 -4.326 -7.105 25 1HB LYS 4 2HB LYS 4 -9.369 -2.054 -7.994 26 2HB LYS 4 3HB LYS 4 -9.625 -3.311 -9.212 27 1HG LYS 4 2HG LYS 4 -12.146 -3.154 -8.637 28 2HG LYS 4 3HG LYS 4 -11.749 -1.693 -7.735 29 1HD LYS 4 2HD LYS 4 -10.857 -0.663 -9.794 30 2HD LYS 4 3HD LYS 4 -11.072 -2.198 -10.670 31 1HE LYS 4 2HE LYS 4 -13.543 -2.100 -10.199 32 2HE LYS 4 3HE LYS 4 -13.319 -0.513 -9.452 33 1HZ LYS 4 1HZ LYS 4 -12.529 0.275 -11.598 34 2HZ LYS 4 2HZ LYS 4 -12.745 -1.224 -12.255 35 3HZ LYS 4 3HZ LYS 4 -14.041 -0.368 -11.720 36 H THR 5 H THR 5 -8.574 -2.913 -5.308 37 HA THR 5 HA THR 5 -10.916 -1.970 -3.785 38 HB THR 5 HB THR 5 -8.887 -3.933 -2.577 39 HG1 THR 5 1HG THR 5 -11.314 -3.991 -3.727 40 1HG2 THR 5 1HG2 THR 5 -9.607 -2.261 -0.854 41 2HG2 THR 5 2HG2 THR 5 -11.302 -2.506 -1.329 42 3HG2 THR 5 3HG2 THR 5 -10.388 -3.823 -0.577 43 H VAL 6 H VAL 6 -10.410 -0.298 -2.372 44 HA VAL 6 HA VAL 6 -7.640 0.321 -2.238 45 HB VAL 6 HB VAL 6 -8.345 1.619 -4.070 46 1HG1 VAL 6 1HG1 VAL 6 -10.202 3.165 -4.162 47 2HG1 VAL 6 2HG1 VAL 6 -10.721 1.494 -3.961 48 3HG1 VAL 6 3HG1 VAL 6 -10.764 2.603 -2.565 49 1HG2 VAL 6 1HG2 VAL 6 -8.066 3.960 -3.423 50 2HG2 VAL 6 2HG2 VAL 6 -8.561 3.601 -1.753 51 3HG2 VAL 6 3HG2 VAL 6 -7.024 2.985 -2.389 52 H TYR 7 H TYR 7 -6.903 1.191 -0.409 53 HA TYR 7 HA TYR 7 -8.795 1.060 1.902 54 1HB TYR 7 2HB TYR 7 -5.832 0.401 1.816 55 2HB TYR 7 3HB TYR 7 -6.978 0.121 3.121 56 HD1 TYR 7 HD1 TYR 7 -7.602 -2.075 3.466 57 HD2 TYR 7 HD2 TYR 7 -6.235 -0.943 -0.437 58 HE1 TYR 7 HE1 TYR 7 -8.142 -4.347 2.623 59 HE2 TYR 7 HE2 TYR 7 -6.687 -3.220 -1.259 60 HH TYR 7 HH TYR 7 -7.580 -5.328 -0.750 61 H ARG 8 H ARG 8 -8.200 2.475 3.731 62 HA ARG 8 HA ARG 8 -6.924 5.012 2.776 63 1HB ARG 8 2HB ARG 8 -8.748 4.247 5.098 64 2HB ARG 8 3HB ARG 8 -7.826 5.752 5.128 65 1HG ARG 8 2HG ARG 8 -8.942 6.657 3.257 66 2HG ARG 8 3HG ARG 8 -9.710 5.106 2.835 67 1HD ARG 8 2HD ARG 8 -11.088 5.110 4.759 68 2HD ARG 8 3HD ARG 8 -10.173 6.419 5.541 69 HE ARG 8 HE ARG 8 -11.103 7.663 3.314 70 1HH1 ARG 8 2HH2 ARG 8 -12.667 5.826 5.922 71 2HH1 ARG 8 1HH2 ARG 8 -14.115 6.784 5.933 72 1HH2 ARG 8 2HH1 ARG 8 -13.063 8.975 3.352 73 2HH2 ARG 8 1HH1 ARG 8 -14.329 8.545 4.469 74 H VAL 9 H VAL 9 -4.786 5.147 3.197 75 HA VAL 9 HA VAL 9 -3.578 3.738 5.532 76 HB VAL 9 HB VAL 9 -2.447 3.092 3.600 77 1HG1 VAL 9 1HG1 VAL 9 -1.497 4.672 1.930 78 2HG1 VAL 9 2HG1 VAL 9 -3.256 4.693 1.931 79 3HG1 VAL 9 3HG1 VAL 9 -2.351 6.015 2.712 80 1HG2 VAL 9 1HG2 VAL 9 -0.213 3.922 3.896 81 2HG2 VAL 9 2HG2 VAL 9 -0.788 5.445 4.587 82 3HG2 VAL 9 3HG2 VAL 9 -0.975 3.923 5.492 83 H ASP 10 H ASP 10 -2.451 4.897 7.122 84 HA ASP 10 HA ASP 10 -2.344 7.842 6.816 85 1HB ASP 10 2HB ASP 10 -4.520 7.407 7.839 86 2HB ASP 10 3HB ASP 10 -3.795 6.349 9.028 87 H GLY 11 H GLY 11 -1.118 8.767 8.630 88 1HA GLY 11 1HA GLY 11 0.560 8.529 10.321 89 2HA GLY 11 2HA GLY 11 1.126 7.017 9.603 90 H LEU 12 H LEU 12 1.821 7.320 7.178 91 HA LEU 12 HA LEU 12 4.028 9.231 7.386 92 1HB LEU 12 2HB LEU 12 4.972 7.986 5.473 93 2HB LEU 12 3HB LEU 12 4.675 7.076 6.940 94 HG LEU 12 HG LEU 12 2.761 5.955 5.987 95 1HD1 LEU 12 1HD1 LEU 12 2.119 6.230 3.629 96 2HD1 LEU 12 2HD1 LEU 12 1.650 7.579 4.638 97 3HD1 LEU 12 3HD1 LEU 12 3.066 7.735 3.558 98 1HD2 LEU 12 1HD2 LEU 12 5.001 6.075 3.934 99 2HD2 LEU 12 2HD2 LEU 12 5.158 5.246 5.482 100 3HD2 LEU 12 3HD2 LEU 12 3.955 4.681 4.315 101 H SER 13 H SER 13 4.891 10.191 5.288 102 HA SER 13 HA SER 13 3.036 10.942 3.194 103 1HB SER 13 2HB SER 13 3.079 13.389 3.730 104 2HB SER 13 3HB SER 13 2.173 12.455 4.932 105 HG SER 13 HG SER 13 4.893 13.229 5.155 106 H CYS 14 H CYS 14 4.936 9.923 2.039 107 HA CYS 14 HA CYS 14 6.663 12.056 1.186 108 1HB CYS 14 2HB CYS 14 7.676 10.418 3.354 109 2HB CYS 14 3HB CYS 14 8.587 10.009 1.889 110 HG CYS 14 HG CYS 14 7.900 12.981 3.094 111 H THR 15 H THR 15 7.226 11.826 -0.909 112 HA THR 15 HA THR 15 6.198 9.861 -2.506 113 HB THR 15 HB THR 15 8.728 11.445 -3.108 114 HG1 THR 15 1HG THR 15 6.055 12.377 -3.164 115 1HG2 THR 15 1HG2 THR 15 7.935 9.941 -4.914 116 2HG2 THR 15 2HG2 THR 15 6.317 10.668 -4.823 117 3HG2 THR 15 3HG2 THR 15 7.704 11.644 -5.348 118 H ASN 16 H ASN 16 9.593 10.013 -1.235 119 HA ASN 16 HA ASN 16 10.515 7.751 -2.553 120 1HB ASN 16 2HB ASN 16 11.904 9.424 -1.344 121 2HB ASN 16 3HB ASN 16 11.353 8.744 0.198 122 1HD2 ASN 16 1HD2 ASN 16 13.774 8.495 0.501 123 2HD2 ASN 16 2HD2 ASN 16 14.534 7.073 -0.188 124 H CYS 17 H CYS 17 8.582 8.044 0.395 125 HA CYS 17 HA CYS 17 8.926 5.270 1.256 126 1HB CYS 17 2HB CYS 17 6.865 7.363 2.082 127 2HB CYS 17 3HB CYS 17 7.083 5.750 2.771 128 HG CYS 17 HG CYS 17 9.392 8.087 2.511 129 H ALA 18 H ALA 18 6.475 7.237 -0.476 130 HA ALA 18 HA ALA 18 4.614 5.182 -1.065 131 1HB ALA 18 1HB ALA 18 4.311 7.659 -1.507 132 2HB ALA 18 2HB ALA 18 5.349 7.472 -2.932 133 3HB ALA 18 3HB ALA 18 3.823 6.585 -2.832 134 H ALA 19 H ALA 19 7.591 6.135 -2.749 135 HA ALA 19 HA ALA 19 7.393 4.394 -4.966 136 1HB ALA 19 1HB ALA 19 9.040 6.215 -4.809 137 2HB ALA 19 2HB ALA 19 9.944 5.306 -3.581 138 3HB ALA 19 3HB ALA 19 9.789 4.659 -5.219 139 H LYS 20 H LYS 20 9.128 3.919 -1.844 140 HA LYS 20 HA LYS 20 9.835 1.213 -2.264 141 1HB LYS 20 2HB LYS 20 10.771 2.591 -0.535 142 2HB LYS 20 3HB LYS 20 9.240 2.664 0.353 143 1HG LYS 20 2HG LYS 20 9.293 0.376 0.920 144 2HG LYS 20 3HG LYS 20 10.492 -0.031 -0.300 145 1HD LYS 20 2HD LYS 20 11.023 1.616 2.231 146 2HD LYS 20 3HD LYS 20 11.344 -0.099 2.006 147 1HE LYS 20 2HE LYS 20 13.436 0.590 1.460 148 2HE LYS 20 3HE LYS 20 12.720 0.737 -0.144 149 1HZ LYS 20 1HZ LYS 20 12.358 3.114 0.390 150 2HZ LYS 20 2HZ LYS 20 13.139 2.900 1.819 151 3HZ LYS 20 3HZ LYS 20 13.941 2.682 0.401 152 H PHE 21 H PHE 21 6.814 2.614 -0.955 153 HA PHE 21 HA PHE 21 5.706 0.098 -0.245 154 1HB PHE 21 2HB PHE 21 4.976 2.572 0.341 155 2HB PHE 21 3HB PHE 21 3.937 2.409 -1.063 156 HD1 PHE 21 1HD PHE 21 1.686 1.906 -0.323 157 HD2 PHE 21 2HD PHE 21 5.009 0.130 1.782 158 HE1 PHE 21 1HE PHE 21 0.195 1.263 1.568 159 HE2 PHE 21 2HE PHE 21 3.463 -0.701 3.474 160 HZ PHE 21 HZ PHE 21 1.130 -0.072 3.458 161 H GLU 22 H GLU 22 4.998 2.121 -3.195 162 HA GLU 22 HA GLU 22 3.251 0.228 -4.324 163 1HB GLU 22 2HB GLU 22 3.415 1.383 -6.376 164 2HB GLU 22 3HB GLU 22 3.485 2.611 -5.102 165 1HG GLU 22 2HG GLU 22 5.839 2.926 -5.436 166 2HG GLU 22 3HG GLU 22 5.935 1.585 -6.591 167 H ARG 23 H ARG 23 6.756 0.621 -4.600 168 HA ARG 23 HA ARG 23 7.314 -1.460 -6.457 169 1HB ARG 23 2HB ARG 23 8.948 0.284 -5.603 170 2HB ARG 23 3HB ARG 23 8.891 -0.476 -4.013 171 1HG ARG 23 2HG ARG 23 10.823 -1.382 -4.803 172 2HG ARG 23 3HG ARG 23 9.693 -2.647 -5.289 173 1HD ARG 23 2HD ARG 23 9.585 -1.638 -7.572 174 2HD ARG 23 3HD ARG 23 10.687 -0.355 -6.996 175 HE ARG 23 HE ARG 23 11.545 -3.182 -6.690 176 1HH1 ARG 23 2HH2 ARG 23 11.599 -0.335 -8.790 177 2HH1 ARG 23 1HH2 ARG 23 13.191 -0.586 -9.424 178 1HH2 ARG 23 2HH1 ARG 23 13.716 -3.539 -7.502 179 2HH2 ARG 23 1HH1 ARG 23 14.415 -2.488 -8.706 180 H ASN 24 H ASN 24 7.267 -1.594 -2.805 181 HA ASN 24 HA ASN 24 7.676 -4.377 -2.588 182 1HB ASN 24 2HB ASN 24 6.294 -2.307 -0.889 183 2HB ASN 24 3HB ASN 24 5.856 -3.984 -0.614 184 1HD2 ASN 24 1HD2 ASN 24 7.664 -1.782 0.735 185 2HD2 ASN 24 2HD2 ASN 24 8.893 -2.845 1.423 186 H VAL 25 H VAL 25 4.565 -2.605 -2.994 187 HA VAL 25 HA VAL 25 2.949 -4.928 -3.005 188 HB VAL 25 HB VAL 25 2.382 -2.327 -4.501 189 1HG1 VAL 25 1HG1 VAL 25 0.849 -4.017 -5.201 190 2HG1 VAL 25 2HG1 VAL 25 0.623 -4.617 -3.533 191 3HG1 VAL 25 3HG1 VAL 25 -0.002 -3.035 -4.005 192 1HG2 VAL 25 1HG2 VAL 25 0.936 -2.090 -2.249 193 2HG2 VAL 25 2HG2 VAL 25 2.252 -3.095 -1.600 194 3HG2 VAL 25 3HG2 VAL 25 2.584 -1.520 -2.339 195 H LYS 26 H LYS 26 4.386 -3.202 -5.798 196 HA LYS 26 HA LYS 26 3.621 -4.923 -7.870 197 1HB LYS 26 2HB LYS 26 5.898 -3.019 -7.309 198 2HB LYS 26 3HB LYS 26 5.917 -3.932 -8.798 199 1HG LYS 26 2HG LYS 26 3.874 -3.015 -9.520 200 2HG LYS 26 3HG LYS 26 3.461 -2.348 -7.930 201 1HD LYS 26 2HD LYS 26 5.061 -0.627 -8.078 202 2HD LYS 26 3HD LYS 26 5.969 -1.461 -9.348 203 1HE LYS 26 2HE LYS 26 4.146 -1.065 -10.972 204 2HE LYS 26 3HE LYS 26 3.119 -0.381 -9.699 205 1HZ LYS 26 1HZ LYS 26 4.644 1.446 -9.490 206 2HZ LYS 26 2HZ LYS 26 5.644 0.829 -10.626 207 3HZ LYS 26 3HZ LYS 26 4.126 1.327 -11.027 208 H GLU 27 H GLU 27 6.362 -5.269 -5.565 209 HA GLU 27 HA GLU 27 7.371 -7.629 -6.893 210 1HB GLU 27 2HB GLU 27 8.017 -6.386 -4.201 211 2HB GLU 27 3HB GLU 27 8.816 -7.817 -4.857 212 1HG GLU 27 2HG GLU 27 9.517 -6.581 -6.868 213 2HG GLU 27 3HG GLU 27 8.696 -5.124 -6.307 214 H ILE 28 H ILE 28 4.556 -7.275 -4.897 215 HA ILE 28 HA ILE 28 4.650 -10.050 -3.910 216 HB ILE 28 HB ILE 28 2.237 -8.288 -4.196 217 1HG1 ILE 28 2HG1 ILE 28 3.832 -8.448 -1.623 218 2HG1 ILE 28 3HG1 ILE 28 3.931 -7.110 -2.766 219 1HG2 ILE 28 1HG2 ILE 28 1.060 -9.870 -3.129 220 2HG2 ILE 28 2HG2 ILE 28 2.417 -10.975 -3.421 221 3HG2 ILE 28 3HG2 ILE 28 2.304 -10.121 -1.894 222 1HD1 ILE 28 1HD1 ILE 28 1.333 -8.000 -1.476 223 2HD1 ILE 28 2HD1 ILE 28 2.307 -6.598 -0.987 224 3HD1 ILE 28 3HD1 ILE 28 1.539 -6.656 -2.589 225 H GLU 29 H GLU 29 4.015 -11.817 -5.176 226 HA GLU 29 HA GLU 29 3.175 -11.488 -7.880 227 1HB GLU 29 2HB GLU 29 3.545 -13.861 -5.982 228 2HB GLU 29 3HB GLU 29 3.156 -14.001 -7.687 229 1HG GLU 29 2HG GLU 29 5.222 -12.804 -8.308 230 2HG GLU 29 3HG GLU 29 5.662 -12.644 -6.600 231 H GLY 30 H GLY 30 1.369 -11.384 -5.056 232 1HA GLY 30 1HA GLY 30 -0.998 -12.864 -5.930 233 2HA GLY 30 2HA GLY 30 -0.843 -11.833 -4.502 234 H VAL 31 H VAL 31 0.160 -9.497 -6.148 235 HA VAL 31 HA VAL 31 -2.497 -8.558 -6.965 236 HB VAL 31 HB VAL 31 -1.374 -7.444 -5.119 237 1HG1 VAL 31 1HG1 VAL 31 0.712 -6.454 -7.100 238 2HG1 VAL 31 2HG1 VAL 31 0.589 -6.181 -5.345 239 3HG1 VAL 31 3HG1 VAL 31 0.995 -7.772 -5.954 240 1HG2 VAL 31 1HG2 VAL 31 -1.737 -5.203 -5.865 241 2HG2 VAL 31 2HG2 VAL 31 -1.471 -5.669 -7.555 242 3HG2 VAL 31 3HG2 VAL 31 -2.915 -6.257 -6.693 243 H THR 32 H THR 32 -2.514 -7.112 -8.925 244 HA THR 32 HA THR 32 -0.491 -7.894 -10.974 245 HB THR 32 HB THR 32 -3.394 -7.072 -11.389 246 HG1 THR 32 1HG THR 32 -2.608 -9.311 -10.591 247 1HG2 THR 32 1HG2 THR 32 -1.963 -6.340 -13.253 248 2HG2 THR 32 2HG2 THR 32 -1.244 -7.963 -13.353 249 3HG2 THR 32 3HG2 THR 32 -2.964 -7.722 -13.730 250 H GLU 33 H GLU 33 -2.754 -5.267 -9.889 251 HA GLU 33 HA GLU 33 -0.549 -3.295 -10.510 252 1HB GLU 33 2HB GLU 33 -3.477 -3.297 -11.300 253 2HB GLU 33 3HB GLU 33 -2.571 -1.786 -11.138 254 1HG GLU 33 2HG GLU 33 -1.202 -3.884 -12.772 255 2HG GLU 33 3HG GLU 33 -2.724 -3.278 -13.418 256 H ALA 34 H ALA 34 -0.551 -1.409 -9.194 257 HA ALA 34 HA ALA 34 -2.585 -1.158 -7.119 258 1HB ALA 34 1HB ALA 34 -0.864 -1.087 -5.282 259 2HB ALA 34 2HB ALA 34 -1.032 -2.692 -6.027 260 3HB ALA 34 3HB ALA 34 0.355 -1.655 -6.441 261 H ILE 35 H ILE 35 -2.702 0.976 -6.342 262 HA ILE 35 HA ILE 35 -0.774 2.931 -7.568 263 HB ILE 35 HB ILE 35 -3.787 3.309 -7.522 264 1HG1 ILE 35 2HG1 ILE 35 -1.954 2.877 -9.921 265 2HG1 ILE 35 3HG1 ILE 35 -3.019 1.635 -9.251 266 1HG2 ILE 35 1HG2 ILE 35 -2.442 5.382 -7.190 267 2HG2 ILE 35 2HG2 ILE 35 -1.555 5.024 -8.684 268 3HG2 ILE 35 3HG2 ILE 35 -3.292 5.386 -8.728 269 1HD1 ILE 35 1HD1 ILE 35 -4.995 3.066 -9.669 270 2HD1 ILE 35 2HD1 ILE 35 -3.945 4.230 -10.516 271 3HD1 ILE 35 3HD1 ILE 35 -4.118 2.582 -11.132 272 H VAL 36 H VAL 36 0.309 3.593 -5.792 273 HA VAL 36 HA VAL 36 -1.109 3.912 -3.209 274 HB VAL 36 HB VAL 36 1.838 4.256 -3.849 275 1HG1 VAL 36 1HG1 VAL 36 2.132 3.914 -1.457 276 2HG1 VAL 36 2HG1 VAL 36 1.053 5.273 -1.757 277 3HG1 VAL 36 3HG1 VAL 36 0.373 3.711 -1.247 278 1HG2 VAL 36 1HG2 VAL 36 2.196 1.991 -2.963 279 2HG2 VAL 36 2HG2 VAL 36 0.464 1.682 -3.013 280 3HG2 VAL 36 3HG2 VAL 36 1.336 1.987 -4.509 281 H ASN 37 H ASN 37 -1.855 6.012 -2.628 282 HA ASN 37 HA ASN 37 -0.696 8.343 -4.100 283 1HB ASN 37 2HB ASN 37 -2.869 8.150 -1.992 284 2HB ASN 37 3HB ASN 37 -2.222 9.662 -2.606 285 1HD2 ASN 37 1HD2 ASN 37 -2.136 9.742 -5.194 286 2HD2 ASN 37 2HD2 ASN 37 -3.630 9.218 -5.946 287 H PHE 38 H PHE 38 -1.126 7.271 -0.723 288 HA PHE 38 HA PHE 38 -0.190 7.999 1.237 289 1HB PHE 38 2HB PHE 38 2.284 8.346 -0.521 290 2HB PHE 38 3HB PHE 38 2.278 8.701 1.185 291 HD1 PHE 38 1HD PHE 38 0.162 5.839 0.735 292 HD2 PHE 38 2HD PHE 38 4.278 7.135 0.963 293 HE1 PHE 38 1HE PHE 38 0.786 3.702 1.749 294 HE2 PHE 38 2HE PHE 38 4.910 4.892 1.815 295 HZ PHE 38 HZ PHE 38 3.154 3.232 2.341 296 H GLY 39 H GLY 39 1.242 10.165 2.051 297 1HA GLY 39 1HA GLY 39 1.103 12.432 2.335 298 2HA GLY 39 2HA GLY 39 0.565 12.587 0.655 299 H ALA 40 H ALA 40 -1.038 10.569 3.055 300 HA ALA 40 HA ALA 40 -2.917 10.707 4.297 301 1HB ALA 40 1HB ALA 40 -3.010 13.701 3.734 302 2HB ALA 40 2HB ALA 40 -3.924 12.795 4.946 303 3HB ALA 40 3HB ALA 40 -2.158 12.918 5.083 304 H SER 41 H SER 41 -3.509 9.357 2.493 305 HA SER 41 HA SER 41 -5.894 10.279 1.124 306 1HB SER 41 2HB SER 41 -3.308 9.906 -0.388 307 2HB SER 41 3HB SER 41 -4.878 9.625 -1.172 308 HG SER 41 HG SER 41 -4.398 12.006 0.259 309 H LYS 42 H LYS 42 -4.175 7.742 -0.478 310 HA LYS 42 HA LYS 42 -5.401 5.629 1.062 311 1HB LYS 42 2HB LYS 42 -7.091 5.021 -0.596 312 2HB LYS 42 3HB LYS 42 -7.343 6.660 0.013 313 1HG LYS 42 2HG LYS 42 -5.769 7.152 -2.179 314 2HG LYS 42 3HG LYS 42 -6.618 5.737 -2.746 315 1HD LYS 42 2HD LYS 42 -7.818 8.386 -1.762 316 2HD LYS 42 3HD LYS 42 -7.639 7.856 -3.426 317 1HE LYS 42 2HE LYS 42 -9.921 7.550 -2.916 318 2HE LYS 42 3HE LYS 42 -9.213 5.935 -2.983 319 1HZ LYS 42 1HZ LYS 42 -10.694 6.233 -1.112 320 2HZ LYS 42 2HZ LYS 42 -9.166 5.940 -0.581 321 3HZ LYS 42 3HZ LYS 42 -9.776 7.470 -0.529 322 H ILE 43 H ILE 43 -5.222 3.553 -0.052 323 HA ILE 43 HA ILE 43 -3.048 3.427 -2.102 324 HB ILE 43 HB ILE 43 -2.028 3.017 0.013 325 1HG1 ILE 43 2HG1 ILE 43 -1.312 1.688 -1.951 326 2HG1 ILE 43 3HG1 ILE 43 -0.849 1.023 -0.381 327 1HG2 ILE 43 1HG2 ILE 43 -4.015 0.785 0.520 328 2HG2 ILE 43 2HG2 ILE 43 -2.571 1.158 1.465 329 3HG2 ILE 43 3HG2 ILE 43 -3.899 2.321 1.404 330 1HD1 ILE 43 1HD1 ILE 43 -1.448 -0.740 -1.876 331 2HD1 ILE 43 2HD1 ILE 43 -2.595 -0.682 -0.533 332 3HD1 ILE 43 3HD1 ILE 43 -3.055 -0.074 -2.134 333 H THR 44 H THR 44 -3.790 2.471 -3.895 334 HA THR 44 HA THR 44 -6.138 0.673 -3.750 335 HB THR 44 HB THR 44 -4.775 2.035 -6.071 336 HG1 THR 44 1HG THR 44 -6.955 2.927 -6.052 337 1HG2 THR 44 1HG2 THR 44 -7.287 0.313 -6.032 338 2HG2 THR 44 2HG2 THR 44 -6.779 1.341 -7.386 339 3HG2 THR 44 3HG2 THR 44 -5.787 -0.031 -6.924 340 H VAL 45 H VAL 45 -6.149 -1.280 -4.591 341 HA VAL 45 HA VAL 45 -3.677 -2.640 -5.527 342 HB VAL 45 HB VAL 45 -5.485 -3.339 -3.199 343 1HG1 VAL 45 1HG1 VAL 45 -3.882 -5.390 -4.762 344 2HG1 VAL 45 2HG1 VAL 45 -4.555 -5.639 -3.143 345 3HG1 VAL 45 3HG1 VAL 45 -5.644 -5.379 -4.507 346 1HG2 VAL 45 1HG2 VAL 45 -2.471 -3.565 -3.589 347 2HG2 VAL 45 2HG2 VAL 45 -3.314 -2.220 -2.798 348 3HG2 VAL 45 3HG2 VAL 45 -3.360 -3.833 -2.074 349 H THR 46 H THR 46 -4.124 -4.043 -7.234 350 HA THR 46 HA THR 46 -6.907 -4.787 -7.912 351 HB THR 46 HB THR 46 -5.043 -3.130 -9.684 352 HG1 THR 46 1HG THR 46 -6.897 -2.795 -7.908 353 1HG2 THR 46 1HG2 THR 46 -7.758 -4.430 -10.278 354 2HG2 THR 46 2HG2 THR 46 -6.998 -3.175 -11.278 355 3HG2 THR 46 3HG2 THR 46 -6.235 -4.763 -11.126 356 H GLY 47 H GLY 47 -6.367 -6.829 -7.448 357 1HA GLY 47 1HA GLY 47 -5.161 -8.186 -9.672 358 2HA GLY 47 2HA GLY 47 -4.060 -8.178 -8.331 359 H GLU 48 H GLU 48 -4.257 -9.776 -6.795 360 HA GLU 48 HA GLU 48 -6.868 -10.528 -5.791 361 1HB GLU 48 2HB GLU 48 -6.236 -12.109 -7.755 362 2HB GLU 48 3HB GLU 48 -5.027 -12.796 -6.675 363 1HG GLU 48 2HG GLU 48 -7.797 -12.556 -5.529 364 2HG GLU 48 3HG GLU 48 -7.661 -13.601 -6.948 365 H ALA 49 H ALA 49 -5.548 -8.949 -4.387 366 HA ALA 49 HA ALA 49 -4.295 -10.521 -2.235 367 1HB ALA 49 1HB ALA 49 -2.369 -9.776 -3.562 368 2HB ALA 49 2HB ALA 49 -3.008 -8.114 -3.594 369 3HB ALA 49 3HB ALA 49 -2.458 -8.823 -2.067 370 H SER 50 H SER 50 -4.083 -9.195 -0.279 371 HA SER 50 HA SER 50 -6.169 -7.089 -0.001 372 1HB SER 50 2HB SER 50 -5.402 -9.382 1.861 373 2HB SER 50 3HB SER 50 -6.398 -8.003 2.347 374 HG SER 50 HG SER 50 -7.667 -9.806 1.607 375 H ILE 51 H ILE 51 -5.642 -5.513 1.822 376 HA ILE 51 HA ILE 51 -3.138 -4.557 1.519 377 HB ILE 51 HB ILE 51 -5.155 -3.341 2.577 378 1HG1 ILE 51 2HG1 ILE 51 -3.710 -1.945 3.993 379 2HG1 ILE 51 3HG1 ILE 51 -2.368 -3.001 3.561 380 1HG2 ILE 51 1HG2 ILE 51 -5.399 -3.322 4.948 381 2HG2 ILE 51 2HG2 ILE 51 -5.476 -5.025 4.465 382 3HG2 ILE 51 3HG2 ILE 51 -3.987 -4.357 5.188 383 1HD1 ILE 51 1HD1 ILE 51 -2.897 -2.477 1.097 384 2HD1 ILE 51 2HD1 ILE 51 -4.118 -1.346 1.686 385 3HD1 ILE 51 3HD1 ILE 51 -2.401 -1.082 2.053 386 H GLN 52 H GLN 52 -4.095 -7.002 3.855 387 HA GLN 52 HA GLN 52 -2.269 -7.247 5.774 388 1HB GLN 52 2HB GLN 52 -3.057 -9.325 3.684 389 2HB GLN 52 3HB GLN 52 -2.128 -9.757 5.114 390 1HG GLN 52 2HG GLN 52 -4.853 -8.387 5.261 391 2HG GLN 52 3HG GLN 52 -4.625 -10.141 5.254 392 1HE2 GLN 52 1HE2 GLN 52 -5.946 -9.101 7.411 393 2HE2 GLN 52 2HE2 GLN 52 -4.880 -9.141 8.805 394 H GLN 53 H GLN 53 -1.445 -8.088 2.395 395 HA GLN 53 HA GLN 53 1.321 -8.748 3.044 396 1HB GLN 53 2HB GLN 53 -0.029 -8.185 0.386 397 2HB GLN 53 3HB GLN 53 1.599 -8.877 0.612 398 1HG GLN 53 2HG GLN 53 0.626 -10.792 1.832 399 2HG GLN 53 3HG GLN 53 -1.005 -10.147 1.586 400 1HE2 GLN 53 1HE2 GLN 53 0.766 -12.600 0.491 401 2HE2 GLN 53 2HE2 GLN 53 0.270 -12.588 -1.192 402 H VAL 54 H VAL 54 -0.337 -5.856 1.845 403 HA VAL 54 HA VAL 54 2.063 -4.383 1.185 404 HB VAL 54 HB VAL 54 -0.793 -3.335 1.570 405 1HG1 VAL 54 1HG1 VAL 54 0.036 -1.570 0.011 406 2HG1 VAL 54 2HG1 VAL 54 0.606 -1.585 1.675 407 3HG1 VAL 54 3HG1 VAL 54 1.691 -2.130 0.383 408 1HG2 VAL 54 1HG2 VAL 54 -0.891 -5.075 -0.123 409 2HG2 VAL 54 2HG2 VAL 54 -0.903 -3.504 -0.924 410 3HG2 VAL 54 3HG2 VAL 54 0.587 -4.473 -0.893 411 H GLU 55 H GLU 55 -0.117 -4.707 3.983 412 HA GLU 55 HA GLU 55 0.890 -2.682 5.664 413 1HB GLU 55 2HB GLU 55 -1.288 -3.987 5.862 414 2HB GLU 55 3HB GLU 55 -0.339 -5.372 6.426 415 1HG GLU 55 2HG GLU 55 0.546 -3.953 8.279 416 2HG GLU 55 3HG GLU 55 -0.502 -2.634 7.717 417 H GLN 56 H GLN 56 1.565 -6.220 5.342 418 HA GLN 56 HA GLN 56 3.666 -6.418 7.148 419 1HB GLN 56 2HB GLN 56 2.515 -8.279 5.950 420 2HB GLN 56 3HB GLN 56 3.465 -7.920 4.500 421 1HG GLN 56 2HG GLN 56 5.549 -8.378 5.697 422 2HG GLN 56 3HG GLN 56 4.663 -8.613 7.214 423 1HE2 GLN 56 1HE2 GLN 56 2.775 -10.329 6.994 424 2HE2 GLN 56 2HE2 GLN 56 3.255 -11.803 6.166 425 H ALA 57 H ALA 57 3.959 -5.605 3.586 426 HA ALA 57 HA ALA 57 6.691 -4.955 3.601 427 1HB ALA 57 1HB ALA 57 4.321 -3.855 2.048 428 2HB ALA 57 2HB ALA 57 5.966 -3.295 1.800 429 3HB ALA 57 3HB ALA 57 5.559 -5.010 1.531 430 H GLY 58 H GLY 58 3.870 -2.850 4.511 431 1HA GLY 58 1HA GLY 58 5.286 -0.486 4.970 432 2HA GLY 58 2HA GLY 58 3.741 -0.966 5.707 433 H ALA 59 H ALA 59 5.503 -3.433 6.831 434 HA ALA 59 HA ALA 59 5.961 -2.575 9.421 435 1HB ALA 59 1HB ALA 59 6.075 -4.919 8.726 436 2HB ALA 59 2HB ALA 59 7.584 -4.596 7.832 437 3HB ALA 59 3HB ALA 59 7.541 -4.447 9.600 438 H PHE 60 H PHE 60 7.947 -1.769 6.561 439 HA PHE 60 HA PHE 60 10.290 -1.008 7.947 440 1HB PHE 60 2HB PHE 60 10.748 0.542 6.121 441 2HB PHE 60 3HB PHE 60 10.370 -1.094 5.611 442 HD1 PHE 60 1HD PHE 60 8.824 -1.433 3.866 443 HD2 PHE 60 2HD PHE 60 8.888 2.370 5.900 444 HE1 PHE 60 1HE PHE 60 7.138 -0.550 2.297 445 HE2 PHE 60 2HE PHE 60 7.273 3.265 4.271 446 HZ PHE 60 HZ PHE 60 6.432 1.852 2.434 447 H GLU 61 H GLU 61 7.206 0.752 7.715 448 HA GLU 61 HA GLU 61 8.288 2.757 9.685 449 1HB GLU 61 2HB GLU 61 6.697 3.138 7.173 450 2HB GLU 61 3HB GLU 61 6.291 4.149 8.566 451 1HG GLU 61 2HG GLU 61 8.519 5.021 8.724 452 2HG GLU 61 3HG GLU 61 9.113 3.934 7.465 453 H HIS 62 H HIS 62 6.065 0.232 9.260 454 HA HIS 62 HA HIS 62 4.564 -0.665 10.688 455 1HB HIS 62 2HB HIS 62 5.002 1.543 12.716 456 2HB HIS 62 3HB HIS 62 4.474 -0.111 12.980 457 HD1 HIS 62 1HD HIS 62 7.288 -1.095 11.156 458 HD2 HIS 62 2HD HIS 62 6.851 1.287 14.601 459 HE1 HIS 62 1HE HIS 62 9.488 -1.201 12.390 460 H LEU 63 H LEU 63 3.481 0.717 8.626 461 HA LEU 63 HA LEU 63 1.875 2.965 9.552 462 1HB LEU 63 2HB LEU 63 1.680 1.349 6.968 463 2HB LEU 63 3HB LEU 63 0.815 2.839 7.325 464 HG LEU 63 HG LEU 63 2.453 3.633 6.068 465 1HD1 LEU 63 1HD1 LEU 63 3.791 3.801 8.826 466 2HD1 LEU 63 2HD1 LEU 63 4.104 4.864 7.477 467 3HD1 LEU 63 3HD1 LEU 63 2.498 4.874 8.233 468 1HD2 LEU 63 1HD2 LEU 63 4.603 1.932 7.355 469 2HD2 LEU 63 2HD2 LEU 63 3.754 1.531 5.840 470 3HD2 LEU 63 3HD2 LEU 63 4.756 2.985 5.943 471 H LYS 64 H LYS 64 -0.521 3.077 9.037 472 HA LYS 64 HA LYS 64 -1.911 0.637 9.963 473 1HB LYS 64 2HB LYS 64 -3.432 2.240 11.276 474 2HB LYS 64 3HB LYS 64 -1.900 1.697 11.951 475 1HG LYS 64 2HG LYS 64 -1.758 3.851 12.568 476 2HG LYS 64 3HG LYS 64 -0.938 3.988 11.037 477 1HD LYS 64 2HD LYS 64 -2.364 5.675 10.683 478 2HD LYS 64 3HD LYS 64 -3.513 4.416 10.209 479 1HE LYS 64 2HE LYS 64 -4.390 4.366 12.567 480 2HE LYS 64 3HE LYS 64 -3.232 5.638 13.007 481 1HZ LYS 64 1HZ LYS 64 -5.377 6.574 12.570 482 2HZ LYS 64 2HZ LYS 64 -4.309 7.107 11.454 483 3HZ LYS 64 3HZ LYS 64 -5.395 5.969 11.036 484 H ILE 65 H ILE 65 -3.451 0.125 8.594 485 HA ILE 65 HA ILE 65 -4.467 2.142 6.708 486 HB ILE 65 HB ILE 65 -3.718 -0.666 5.845 487 1HG1 ILE 65 2HG1 ILE 65 -1.983 1.802 5.837 488 2HG1 ILE 65 3HG1 ILE 65 -1.618 0.148 6.403 489 1HG2 ILE 65 1HG2 ILE 65 -4.047 0.244 3.597 490 2HG2 ILE 65 2HG2 ILE 65 -5.453 0.603 4.588 491 3HG2 ILE 65 3HG2 ILE 65 -4.267 1.867 4.253 492 1HD1 ILE 65 1HD1 ILE 65 -0.443 0.867 4.442 493 2HD1 ILE 65 2HD1 ILE 65 -1.355 -0.649 4.200 494 3HD1 ILE 65 3HD1 ILE 65 -1.924 0.896 3.505 495 H ILE 66 H ILE 66 -6.611 1.993 6.346 496 HA ILE 66 HA ILE 66 -8.090 -0.028 7.947 497 HB ILE 66 HB ILE 66 -8.561 2.890 7.373 498 1HG1 ILE 66 2HG1 ILE 66 -8.427 1.338 10.003 499 2HG1 ILE 66 3HG1 ILE 66 -6.997 2.046 9.251 500 1HG2 ILE 66 1HG2 ILE 66 -10.724 1.839 7.128 501 2HG2 ILE 66 2HG2 ILE 66 -10.484 0.855 8.590 502 3HG2 ILE 66 3HG2 ILE 66 -10.687 2.613 8.705 503 1HD1 ILE 66 1HD1 ILE 66 -8.011 4.292 9.347 504 2HD1 ILE 66 2HD1 ILE 66 -9.405 3.617 10.226 505 3HD1 ILE 66 3HD1 ILE 66 -7.788 3.541 10.939 506 HA PRO 67 HA PRO 67 -9.575 -1.166 3.795 507 1HB PRO 67 2HB PRO 67 -10.902 -3.444 4.425 508 2HB PRO 67 3HB PRO 67 -9.132 -3.362 4.621 509 1HG PRO 67 2HG PRO 67 -11.209 -2.928 6.774 510 2HG PRO 67 3HG PRO 67 -9.793 -4.019 6.819 511 1HD PRO 67 2HD PRO 67 -9.747 -1.512 7.882 512 2HD PRO 67 3HD PRO 67 -8.299 -2.209 7.088 513 H GLU 68 H GLU 68 -10.699 0.950 4.099 514 HA GLU 68 HA GLU 68 -12.317 2.326 4.406 515 1HB GLU 68 2HB GLU 68 -14.163 2.061 3.129 516 2HB GLU 68 3HB GLU 68 -12.940 1.157 2.282 517 1HG GLU 68 2HG GLU 68 -13.893 -0.939 2.783 518 2HG GLU 68 3HG GLU 68 -14.880 -0.314 4.107 519 H LYS 69 H LYS 69 -15.062 2.066 5.012 520 HA LYS 69 HA LYS 69 -16.330 2.368 6.785 521 1HB LYS 69 2HB LYS 69 -15.303 -0.307 7.105 522 2HB LYS 69 3HB LYS 69 -15.405 0.407 8.703 523 1HG LYS 69 2HG LYS 69 -17.616 0.383 6.613 524 2HG LYS 69 3HG LYS 69 -17.486 -0.825 7.880 525 1HD LYS 69 2HD LYS 69 -17.672 2.128 8.653 526 2HD LYS 69 3HD LYS 69 -19.098 1.266 8.103 527 1HE LYS 69 2HE LYS 69 -19.046 1.223 10.504 528 2HE LYS 69 3HE LYS 69 -18.857 -0.420 9.879 529 1HZ LYS 69 1HZ LYS 69 -17.345 0.074 11.698 530 2HZ LYS 69 2HZ LYS 69 -16.488 -0.221 10.323 531 3HZ LYS 69 3HZ LYS 69 -16.674 1.316 10.871 532 H GLU 70 H GLU 70 -16.219 4.137 8.052 533 HA GLU 70 HA GLU 70 -14.064 5.053 9.577 534 1HB GLU 70 2HB GLU 70 -17.085 5.178 9.980 535 2HB GLU 70 3HB GLU 70 -15.939 6.030 11.020 536 1HG GLU 70 2HG GLU 70 -16.815 7.522 9.277 537 2HG GLU 70 3HG GLU 70 -15.068 7.312 9.132 538 H ALA 71 H ALA 71 -13.257 4.547 11.602 539 HA ALA 71 HA ALA 71 -13.817 1.809 12.563 540 1HB ALA 71 1HB ALA 71 -11.494 2.448 12.061 541 2HB ALA 71 2HB ALA 71 -11.607 3.807 13.205 542 3HB ALA 71 3HB ALA 71 -11.708 2.135 13.797 Start of MODEL 17 1 1H MET 1 H1 MET 1 -14.343 -14.046 -3.651 2 2H MET 1 H2 MET 1 -15.861 -14.156 -4.343 3 3H MET 1 H3 MET 1 -14.481 -14.202 -5.270 4 HA MET 1 HA MET 1 -15.210 -12.024 -5.525 5 1HB MET 1 2HB MET 1 -15.939 -12.394 -2.632 6 2HB MET 1 3HB MET 1 -15.303 -10.807 -3.062 7 1HG MET 1 2HG MET 1 -16.976 -10.503 -4.783 8 2HG MET 1 3HG MET 1 -17.661 -12.108 -4.466 9 1HE MET 1 1HE MET 1 -20.015 -10.775 -4.365 10 2HE MET 1 2HE MET 1 -20.340 -9.477 -3.190 11 3HE MET 1 3HE MET 1 -19.192 -9.201 -4.518 12 H ALA 2 H ALA 2 -13.683 -10.261 -5.457 13 HA ALA 2 HA ALA 2 -11.499 -10.066 -3.682 14 1HB ALA 2 1HB ALA 2 -10.493 -12.005 -4.743 15 2HB ALA 2 2HB ALA 2 -10.854 -11.391 -6.365 16 3HB ALA 2 3HB ALA 2 -9.659 -10.567 -5.342 17 H GLU 3 H GLU 3 -11.677 -9.689 -7.241 18 HA GLU 3 HA GLU 3 -11.756 -7.919 -8.594 19 1HB GLU 3 2HB GLU 3 -13.938 -7.670 -7.061 20 2HB GLU 3 3HB GLU 3 -13.131 -6.216 -6.494 21 1HG GLU 3 2HG GLU 3 -14.547 -5.560 -8.310 22 2HG GLU 3 3HG GLU 3 -12.952 -5.620 -9.078 23 H LYS 4 H LYS 4 -11.743 -5.084 -7.646 24 HA LYS 4 HA LYS 4 -8.897 -4.809 -6.801 25 1HB LYS 4 2HB LYS 4 -8.899 -2.646 -7.789 26 2HB LYS 4 3HB LYS 4 -9.548 -3.773 -8.994 27 1HG LYS 4 2HG LYS 4 -11.897 -2.954 -8.135 28 2HG LYS 4 3HG LYS 4 -10.970 -1.654 -7.360 29 1HD LYS 4 2HD LYS 4 -9.865 -1.385 -9.746 30 2HD LYS 4 3HD LYS 4 -11.264 -2.327 -10.301 31 1HE LYS 4 2HE LYS 4 -12.747 -0.580 -9.128 32 2HE LYS 4 3HE LYS 4 -11.272 0.357 -8.826 33 1HZ LYS 4 1HZ LYS 4 -12.373 -0.357 -11.463 34 2HZ LYS 4 2HZ LYS 4 -12.352 1.137 -10.777 35 3HZ LYS 4 3HZ LYS 4 -10.941 0.424 -11.232 36 H THR 5 H THR 5 -8.539 -3.115 -5.083 37 HA THR 5 HA THR 5 -10.947 -2.235 -3.658 38 HB THR 5 HB THR 5 -8.986 -4.180 -2.307 39 HG1 THR 5 1HG THR 5 -11.353 -4.243 -3.543 40 1HG2 THR 5 1HG2 THR 5 -11.375 -2.618 -1.177 41 2HG2 THR 5 2HG2 THR 5 -10.536 -3.940 -0.350 42 3HG2 THR 5 3HG2 THR 5 -9.684 -2.424 -0.667 43 H VAL 6 H VAL 6 -10.541 -0.515 -2.324 44 HA VAL 6 HA VAL 6 -7.779 0.174 -2.113 45 HB VAL 6 HB VAL 6 -8.562 1.606 -3.818 46 1HG1 VAL 6 1HG1 VAL 6 -10.516 3.042 -3.744 47 2HG1 VAL 6 2HG1 VAL 6 -10.908 1.326 -3.734 48 3HG1 VAL 6 3HG1 VAL 6 -11.025 2.265 -2.219 49 1HG2 VAL 6 1HG2 VAL 6 -8.844 3.355 -1.320 50 2HG2 VAL 6 2HG2 VAL 6 -7.293 2.903 -2.049 51 3HG2 VAL 6 3HG2 VAL 6 -8.428 3.906 -2.953 52 H TYR 7 H TYR 7 -7.108 1.238 -0.296 53 HA TYR 7 HA TYR 7 -8.910 1.032 2.074 54 1HB TYR 7 2HB TYR 7 -5.979 0.232 1.937 55 2HB TYR 7 3HB TYR 7 -7.115 -0.034 3.251 56 HD1 TYR 7 HD1 TYR 7 -8.061 -2.171 3.485 57 HD2 TYR 7 HD2 TYR 7 -6.287 -1.064 -0.272 58 HE1 TYR 7 HE1 TYR 7 -8.494 -4.447 2.617 59 HE2 TYR 7 HE2 TYR 7 -6.601 -3.373 -1.094 60 HH TYR 7 HH TYR 7 -8.408 -5.835 0.699 61 H ARG 8 H ARG 8 -8.153 2.542 3.808 62 HA ARG 8 HA ARG 8 -6.581 4.799 2.657 63 1HB ARG 8 2HB ARG 8 -8.417 4.700 5.026 64 2HB ARG 8 3HB ARG 8 -7.332 6.050 4.692 65 1HG ARG 8 2HG ARG 8 -8.342 6.347 2.438 66 2HG ARG 8 3HG ARG 8 -9.535 5.088 2.815 67 1HD ARG 8 2HD ARG 8 -10.285 6.429 4.774 68 2HD ARG 8 3HD ARG 8 -9.078 7.670 4.387 69 HE ARG 8 HE ARG 8 -10.789 7.161 2.133 70 1HH1 ARG 8 2HH2 ARG 8 -11.067 8.446 5.377 71 2HH1 ARG 8 1HH2 ARG 8 -11.948 9.882 4.950 72 1HH2 ARG 8 2HH1 ARG 8 -12.245 8.873 1.530 73 2HH2 ARG 8 1HH1 ARG 8 -12.774 10.029 2.708 74 H VAL 9 H VAL 9 -4.765 5.653 3.812 75 HA VAL 9 HA VAL 9 -3.672 3.893 5.962 76 HB VAL 9 HB VAL 9 -2.726 2.894 4.034 77 1HG1 VAL 9 1HG1 VAL 9 -3.150 4.462 2.277 78 2HG1 VAL 9 2HG1 VAL 9 -2.029 5.643 2.962 79 3HG1 VAL 9 3HG1 VAL 9 -1.421 4.106 2.326 80 1HG2 VAL 9 1HG2 VAL 9 -0.675 4.804 5.196 81 2HG2 VAL 9 2HG2 VAL 9 -1.245 3.311 5.940 82 3HG2 VAL 9 3HG2 VAL 9 -0.357 3.254 4.401 83 H ASP 10 H ASP 10 -3.011 5.073 7.630 84 HA ASP 10 HA ASP 10 -2.540 7.988 7.173 85 1HB ASP 10 2HB ASP 10 -4.345 6.845 8.781 86 2HB ASP 10 3HB ASP 10 -2.982 6.815 9.906 87 H GLY 11 H GLY 11 -1.167 8.768 9.291 88 1HA GLY 11 1HA GLY 11 0.727 8.758 10.557 89 2HA GLY 11 2HA GLY 11 1.012 7.065 10.136 90 H LEU 12 H LEU 12 1.312 7.190 7.428 91 HA LEU 12 HA LEU 12 3.978 7.795 6.989 92 1HB LEU 12 2HB LEU 12 3.378 7.720 4.533 93 2HB LEU 12 3HB LEU 12 2.878 6.360 5.514 94 HG LEU 12 HG LEU 12 0.515 7.393 5.618 95 1HD1 LEU 12 1HD1 LEU 12 0.881 9.687 4.781 96 2HD1 LEU 12 2HD1 LEU 12 1.739 9.057 3.356 97 3HD1 LEU 12 3HD1 LEU 12 0.000 8.786 3.565 98 1HD2 LEU 12 1HD2 LEU 12 1.244 5.442 4.250 99 2HD2 LEU 12 2HD2 LEU 12 -0.016 6.428 3.462 100 3HD2 LEU 12 3HD2 LEU 12 1.676 6.600 2.999 101 H SER 13 H SER 13 5.111 9.362 5.693 102 HA SER 13 HA SER 13 3.820 11.719 4.717 103 1HB SER 13 2HB SER 13 3.915 12.107 7.310 104 2HB SER 13 3HB SER 13 5.649 12.321 7.071 105 HG SER 13 HG SER 13 4.327 14.258 6.938 106 H CYS 14 H CYS 14 5.433 9.927 3.316 107 HA CYS 14 HA CYS 14 7.561 11.769 2.509 108 1HB CYS 14 2HB CYS 14 8.709 10.597 4.346 109 2HB CYS 14 3HB CYS 14 8.289 9.035 3.625 110 HG CYS 14 HG CYS 14 10.094 11.522 2.441 111 H THR 15 H THR 15 7.345 11.839 0.316 112 HA THR 15 HA THR 15 6.156 9.990 -1.333 113 HB THR 15 HB THR 15 8.514 11.775 -2.057 114 HG1 THR 15 1HG THR 15 5.792 12.496 -1.746 115 1HG2 THR 15 1HG2 THR 15 7.237 12.098 -4.157 116 2HG2 THR 15 2HG2 THR 15 7.669 10.397 -3.920 117 3HG2 THR 15 3HG2 THR 15 6.010 10.940 -3.601 118 H ASN 16 H ASN 16 9.607 10.130 -0.345 119 HA ASN 16 HA ASN 16 10.582 8.202 -2.095 120 1HB ASN 16 2HB ASN 16 11.794 9.814 -0.426 121 2HB ASN 16 3HB ASN 16 11.659 8.477 0.723 122 1HD2 ASN 16 1HD2 ASN 16 13.682 9.879 -1.525 123 2HD2 ASN 16 2HD2 ASN 16 14.643 8.476 -1.940 124 H CYS 17 H CYS 17 8.920 7.940 1.014 125 HA CYS 17 HA CYS 17 9.243 5.058 1.303 126 1HB CYS 17 2HB CYS 17 7.481 7.105 2.706 127 2HB CYS 17 3HB CYS 17 7.356 5.381 2.982 128 HG CYS 17 HG CYS 17 10.041 7.274 3.246 129 H ALA 18 H ALA 18 6.689 7.302 0.149 130 HA ALA 18 HA ALA 18 4.670 5.515 -0.484 131 1HB ALA 18 1HB ALA 18 3.863 7.095 -2.023 132 2HB ALA 18 2HB ALA 18 4.803 8.083 -0.868 133 3HB ALA 18 3HB ALA 18 5.460 7.692 -2.459 134 H ALA 19 H ALA 19 7.488 6.389 -2.458 135 HA ALA 19 HA ALA 19 6.916 4.782 -4.743 136 1HB ALA 19 1HB ALA 19 8.609 6.583 -4.721 137 2HB ALA 19 2HB ALA 19 9.633 5.626 -3.630 138 3HB ALA 19 3HB ALA 19 9.308 5.046 -5.276 139 H LYS 20 H LYS 20 8.903 4.113 -1.839 140 HA LYS 20 HA LYS 20 9.618 1.461 -2.540 141 1HB LYS 20 2HB LYS 20 10.537 3.015 -0.729 142 2HB LYS 20 3HB LYS 20 9.208 2.483 0.294 143 1HG LYS 20 2HG LYS 20 9.998 0.278 0.435 144 2HG LYS 20 3HG LYS 20 10.985 0.389 -1.027 145 1HD LYS 20 2HD LYS 20 11.535 2.066 1.443 146 2HD LYS 20 3HD LYS 20 12.239 0.459 1.227 147 1HE LYS 20 2HE LYS 20 13.650 1.091 -0.492 148 2HE LYS 20 3HE LYS 20 12.588 2.358 -1.093 149 1HZ LYS 20 1HZ LYS 20 13.202 3.743 0.727 150 2HZ LYS 20 2HZ LYS 20 14.184 2.579 1.362 151 3HZ LYS 20 3HZ LYS 20 14.538 3.263 -0.092 152 H PHE 21 H PHE 21 6.752 2.784 -0.892 153 HA PHE 21 HA PHE 21 5.493 0.348 -0.196 154 1HB PHE 21 2HB PHE 21 4.861 2.907 0.223 155 2HB PHE 21 3HB PHE 21 3.812 2.664 -1.151 156 HD1 PHE 21 1HD PHE 21 1.600 1.647 -0.709 157 HD2 PHE 21 2HD PHE 21 4.819 1.061 2.051 158 HE1 PHE 21 1HE PHE 21 -0.025 1.639 1.199 159 HE2 PHE 21 2HE PHE 21 3.177 0.937 3.935 160 HZ PHE 21 HZ PHE 21 0.790 1.378 3.511 161 H GLU 22 H GLU 22 4.965 2.410 -3.168 162 HA GLU 22 HA GLU 22 3.182 0.581 -4.348 163 1HB GLU 22 2HB GLU 22 3.120 1.879 -6.185 164 2HB GLU 22 3HB GLU 22 3.839 3.055 -5.073 165 1HG GLU 22 2HG GLU 22 5.972 2.836 -6.029 166 2HG GLU 22 3HG GLU 22 5.492 1.441 -7.024 167 H ARG 23 H ARG 23 6.704 0.854 -4.683 168 HA ARG 23 HA ARG 23 6.990 -1.225 -6.590 169 1HB ARG 23 2HB ARG 23 8.632 0.583 -5.932 170 2HB ARG 23 3HB ARG 23 9.061 -0.381 -4.506 171 1HG ARG 23 2HG ARG 23 9.822 -2.225 -5.953 172 2HG ARG 23 3HG ARG 23 9.165 -1.403 -7.384 173 1HD ARG 23 2HD ARG 23 10.696 0.524 -6.933 174 2HD ARG 23 3HD ARG 23 11.485 -0.447 -5.660 175 HE ARG 23 HE ARG 23 11.546 -2.110 -7.835 176 1HH1 ARG 23 2HH2 ARG 23 12.693 1.164 -7.233 177 2HH1 ARG 23 1HH2 ARG 23 13.844 1.193 -8.534 178 1HH2 ARG 23 2HH1 ARG 23 13.059 -2.124 -9.589 179 2HH2 ARG 23 1HH1 ARG 23 14.073 -0.751 -9.892 180 H ASN 24 H ASN 24 7.207 -1.299 -2.981 181 HA ASN 24 HA ASN 24 7.675 -4.077 -2.663 182 1HB ASN 24 2HB ASN 24 6.104 -2.078 -0.973 183 2HB ASN 24 3HB ASN 24 6.249 -3.787 -0.574 184 1HD2 ASN 24 1HD2 ASN 24 7.116 -1.662 1.120 185 2HD2 ASN 24 2HD2 ASN 24 8.757 -2.129 1.466 186 H VAL 25 H VAL 25 4.549 -2.291 -3.104 187 HA VAL 25 HA VAL 25 3.008 -4.662 -2.921 188 HB VAL 25 HB VAL 25 2.212 -2.209 -4.540 189 1HG1 VAL 25 1HG1 VAL 25 0.752 -4.112 -4.909 190 2HG1 VAL 25 2HG1 VAL 25 0.625 -4.422 -3.165 191 3HG1 VAL 25 3HG1 VAL 25 -0.083 -2.969 -3.841 192 1HG2 VAL 25 1HG2 VAL 25 0.912 -1.942 -2.131 193 2HG2 VAL 25 2HG2 VAL 25 2.476 -2.580 -1.594 194 3HG2 VAL 25 3HG2 VAL 25 2.374 -1.094 -2.569 195 H LYS 26 H LYS 26 4.346 -3.004 -5.793 196 HA LYS 26 HA LYS 26 3.568 -4.865 -7.770 197 1HB LYS 26 2HB LYS 26 5.745 -2.834 -7.411 198 2HB LYS 26 3HB LYS 26 5.895 -3.931 -8.769 199 1HG LYS 26 2HG LYS 26 3.974 -3.174 -9.796 200 2HG LYS 26 3HG LYS 26 3.229 -2.597 -8.289 201 1HD LYS 26 2HD LYS 26 4.528 -0.656 -8.186 202 2HD LYS 26 3HD LYS 26 5.699 -1.236 -9.378 203 1HE LYS 26 2HE LYS 26 4.430 -0.611 -11.171 204 2HE LYS 26 3HE LYS 26 2.916 -1.149 -10.438 205 1HZ LYS 26 1HZ LYS 26 2.770 0.862 -9.218 206 2HZ LYS 26 2HZ LYS 26 4.215 1.410 -9.696 207 3HZ LYS 26 3HZ LYS 26 3.013 1.244 -10.791 208 H GLU 27 H GLU 27 6.308 -5.120 -5.457 209 HA GLU 27 HA GLU 27 7.444 -7.434 -6.673 210 1HB GLU 27 2HB GLU 27 7.540 -6.542 -3.787 211 2HB GLU 27 3HB GLU 27 8.554 -7.784 -4.506 212 1HG GLU 27 2HG GLU 27 8.601 -5.186 -5.989 213 2HG GLU 27 3HG GLU 27 9.215 -5.125 -4.336 214 H ILE 28 H ILE 28 4.460 -7.139 -4.788 215 HA ILE 28 HA ILE 28 4.504 -9.863 -3.761 216 HB ILE 28 HB ILE 28 2.218 -7.984 -4.233 217 1HG1 ILE 28 2HG1 ILE 28 3.364 -8.457 -1.485 218 2HG1 ILE 28 3HG1 ILE 28 3.985 -7.181 -2.541 219 1HG2 ILE 28 1HG2 ILE 28 2.325 -10.685 -2.954 220 2HG2 ILE 28 2HG2 ILE 28 1.234 -9.498 -2.246 221 3HG2 ILE 28 3HG2 ILE 28 1.052 -9.906 -3.940 222 1HD1 ILE 28 1HD1 ILE 28 1.694 -6.297 -2.860 223 2HD1 ILE 28 2HD1 ILE 28 1.047 -7.432 -1.733 224 3HD1 ILE 28 3HD1 ILE 28 2.214 -6.224 -1.158 225 H GLU 29 H GLU 29 3.876 -11.694 -4.835 226 HA GLU 29 HA GLU 29 3.294 -11.631 -7.649 227 1HB GLU 29 2HB GLU 29 3.794 -13.723 -5.501 228 2HB GLU 29 3HB GLU 29 3.098 -14.196 -7.035 229 1HG GLU 29 2HG GLU 29 4.989 -13.218 -8.265 230 2HG GLU 29 3HG GLU 29 5.716 -12.667 -6.744 231 H GLY 30 H GLY 30 1.341 -11.567 -4.901 232 1HA GLY 30 1HA GLY 30 -0.992 -12.942 -6.009 233 2HA GLY 30 2HA GLY 30 -0.887 -12.081 -4.474 234 H VAL 31 H VAL 31 0.227 -9.696 -6.466 235 HA VAL 31 HA VAL 31 -2.478 -8.688 -7.018 236 HB VAL 31 HB VAL 31 -1.368 -7.664 -5.081 237 1HG1 VAL 31 1HG1 VAL 31 0.648 -6.481 -7.036 238 2HG1 VAL 31 2HG1 VAL 31 0.573 -6.337 -5.264 239 3HG1 VAL 31 3HG1 VAL 31 0.994 -7.879 -6.012 240 1HG2 VAL 31 1HG2 VAL 31 -1.606 -5.881 -7.497 241 2HG2 VAL 31 2HG2 VAL 31 -2.964 -6.422 -6.474 242 3HG2 VAL 31 3HG2 VAL 31 -1.693 -5.351 -5.811 243 H THR 32 H THR 32 -2.597 -7.305 -8.965 244 HA THR 32 HA THR 32 -0.546 -7.984 -11.009 245 HB THR 32 HB THR 32 -3.448 -7.144 -11.392 246 HG1 THR 32 1HG THR 32 -3.620 -9.360 -12.026 247 1HG2 THR 32 1HG2 THR 32 -1.316 -8.107 -13.343 248 2HG2 THR 32 2HG2 THR 32 -3.035 -7.868 -13.729 249 3HG2 THR 32 3HG2 THR 32 -2.031 -6.484 -13.278 250 H GLU 33 H GLU 33 -2.744 -5.374 -9.789 251 HA GLU 33 HA GLU 33 -0.502 -3.455 -10.330 252 1HB GLU 33 2HB GLU 33 -3.408 -3.016 -11.178 253 2HB GLU 33 3HB GLU 33 -2.176 -1.757 -11.041 254 1HG GLU 33 2HG GLU 33 -0.777 -3.306 -12.634 255 2HG GLU 33 3HG GLU 33 -2.350 -4.012 -13.032 256 H ALA 34 H ALA 34 -0.673 -1.472 -9.106 257 HA ALA 34 HA ALA 34 -2.605 -1.370 -6.955 258 1HB ALA 34 1HB ALA 34 -0.916 -2.837 -5.960 259 2HB ALA 34 2HB ALA 34 0.381 -1.692 -6.380 260 3HB ALA 34 3HB ALA 34 -0.852 -1.232 -5.183 261 H ILE 35 H ILE 35 -2.873 0.755 -6.301 262 HA ILE 35 HA ILE 35 -1.069 2.801 -7.595 263 HB ILE 35 HB ILE 35 -4.097 2.978 -7.529 264 1HG1 ILE 35 2HG1 ILE 35 -3.436 1.232 -9.153 265 2HG1 ILE 35 3HG1 ILE 35 -4.193 2.640 -9.877 266 1HG2 ILE 35 1HG2 ILE 35 -1.974 4.761 -8.772 267 2HG2 ILE 35 2HG2 ILE 35 -3.727 4.917 -9.025 268 3HG2 ILE 35 3HG2 ILE 35 -3.040 5.147 -7.411 269 1HD1 ILE 35 1HD1 ILE 35 -1.178 2.184 -9.866 270 2HD1 ILE 35 2HD1 ILE 35 -2.276 1.775 -11.190 271 3HD1 ILE 35 3HD1 ILE 35 -2.066 3.466 -10.715 272 H VAL 36 H VAL 36 -0.032 3.522 -5.778 273 HA VAL 36 HA VAL 36 -1.671 4.033 -3.351 274 HB VAL 36 HB VAL 36 0.253 2.595 -3.034 275 1HG1 VAL 36 1HG1 VAL 36 1.976 4.956 -3.895 276 2HG1 VAL 36 2HG1 VAL 36 2.520 3.401 -3.238 277 3HG1 VAL 36 3HG1 VAL 36 1.712 3.462 -4.819 278 1HG2 VAL 36 1HG2 VAL 36 1.251 3.812 -1.161 279 2HG2 VAL 36 2HG2 VAL 36 0.685 5.343 -1.822 280 3HG2 VAL 36 3HG2 VAL 36 -0.490 4.151 -1.217 281 H ASN 37 H ASN 37 -1.848 6.042 -2.406 282 HA ASN 37 HA ASN 37 -0.348 8.300 -3.635 283 1HB ASN 37 2HB ASN 37 -3.349 8.214 -3.259 284 2HB ASN 37 3HB ASN 37 -2.420 9.691 -3.563 285 1HD2 ASN 37 1HD2 ASN 37 -1.205 9.798 -5.696 286 2HD2 ASN 37 2HD2 ASN 37 -1.901 8.911 -7.037 287 H PHE 38 H PHE 38 0.812 7.557 -1.686 288 HA PHE 38 HA PHE 38 0.248 8.097 0.996 289 1HB PHE 38 2HB PHE 38 2.630 8.639 -0.799 290 2HB PHE 38 3HB PHE 38 2.619 9.271 0.830 291 HD1 PHE 38 1HD PHE 38 1.118 5.927 0.251 292 HD2 PHE 38 2HD PHE 38 4.434 8.205 1.767 293 HE1 PHE 38 1HE PHE 38 1.965 3.950 1.356 294 HE2 PHE 38 2HE PHE 38 5.166 6.248 3.033 295 HZ PHE 38 HZ PHE 38 4.015 4.048 2.746 296 H GLY 39 H GLY 39 0.553 10.398 -1.686 297 1HA GLY 39 1HA GLY 39 1.037 12.716 -0.271 298 2HA GLY 39 2HA GLY 39 0.125 12.636 -1.796 299 H ALA 40 H ALA 40 -1.936 10.813 -0.280 300 HA ALA 40 HA ALA 40 -2.973 12.762 1.722 301 1HB ALA 40 1HB ALA 40 -4.513 12.910 -0.135 302 2HB ALA 40 2HB ALA 40 -4.650 11.143 -0.227 303 3HB ALA 40 3HB ALA 40 -5.267 12.020 1.200 304 H SER 41 H SER 41 -4.543 9.643 1.229 305 HA SER 41 HA SER 41 -2.911 8.272 3.140 306 1HB SER 41 2HB SER 41 -5.742 9.190 3.922 307 2HB SER 41 3HB SER 41 -4.652 8.242 4.926 308 HG SER 41 HG SER 41 -3.230 10.272 4.491 309 H LYS 42 H LYS 42 -3.397 7.375 0.582 310 HA LYS 42 HA LYS 42 -5.544 5.368 0.892 311 1HB LYS 42 2HB LYS 42 -6.339 6.067 -1.476 312 2HB LYS 42 3HB LYS 42 -6.956 6.904 -0.049 313 1HG LYS 42 2HG LYS 42 -5.630 8.810 -0.393 314 2HG LYS 42 3HG LYS 42 -4.555 7.978 -1.523 315 1HD LYS 42 2HD LYS 42 -6.345 7.862 -3.198 316 2HD LYS 42 3HD LYS 42 -7.510 8.545 -2.040 317 1HE LYS 42 2HE LYS 42 -6.219 10.662 -1.952 318 2HE LYS 42 3HE LYS 42 -5.009 9.995 -3.059 319 1HZ LYS 42 1HZ LYS 42 -7.839 10.497 -3.707 320 2HZ LYS 42 2HZ LYS 42 -6.556 11.404 -4.186 321 3HZ LYS 42 3HZ LYS 42 -6.722 9.867 -4.743 322 H ILE 43 H ILE 43 -5.338 3.525 -0.197 323 HA ILE 43 HA ILE 43 -3.224 3.244 -2.219 324 HB ILE 43 HB ILE 43 -2.121 2.873 -0.131 325 1HG1 ILE 43 2HG1 ILE 43 -1.482 1.488 -2.090 326 2HG1 ILE 43 3HG1 ILE 43 -1.035 0.837 -0.517 327 1HG2 ILE 43 1HG2 ILE 43 -4.148 0.734 0.564 328 2HG2 ILE 43 2HG2 ILE 43 -2.647 1.097 1.432 329 3HG2 ILE 43 3HG2 ILE 43 -3.933 2.301 1.358 330 1HD1 ILE 43 1HD1 ILE 43 -1.693 -0.965 -1.863 331 2HD1 ILE 43 2HD1 ILE 43 -2.936 -0.757 -0.624 332 3HD1 ILE 43 3HD1 ILE 43 -3.224 -0.212 -2.287 333 H THR 44 H THR 44 -4.046 2.267 -3.940 334 HA THR 44 HA THR 44 -6.341 0.409 -3.652 335 HB THR 44 HB THR 44 -5.227 1.730 -6.133 336 HG1 THR 44 1HG THR 44 -6.579 2.688 -4.203 337 1HG2 THR 44 1HG2 THR 44 -7.734 0.064 -5.671 338 2HG2 THR 44 2HG2 THR 44 -7.448 1.074 -7.101 339 3HG2 THR 44 3HG2 THR 44 -6.389 -0.304 -6.775 340 H VAL 45 H VAL 45 -6.200 -1.646 -4.258 341 HA VAL 45 HA VAL 45 -3.657 -2.830 -5.280 342 HB VAL 45 HB VAL 45 -5.704 -3.755 -3.266 343 1HG1 VAL 45 1HG1 VAL 45 -4.947 -5.717 -4.639 344 2HG1 VAL 45 2HG1 VAL 45 -3.267 -5.329 -4.193 345 3HG1 VAL 45 3HG1 VAL 45 -4.426 -5.833 -2.957 346 1HG2 VAL 45 1HG2 VAL 45 -3.737 -3.930 -1.689 347 2HG2 VAL 45 2HG2 VAL 45 -2.767 -3.091 -2.920 348 3HG2 VAL 45 3HG2 VAL 45 -4.179 -2.295 -2.176 349 H THR 46 H THR 46 -4.070 -4.212 -7.076 350 HA THR 46 HA THR 46 -6.871 -4.826 -7.842 351 HB THR 46 HB THR 46 -4.857 -3.213 -9.486 352 HG1 THR 46 1HG THR 46 -6.773 -2.843 -7.755 353 1HG2 THR 46 1HG2 THR 46 -7.629 -4.294 -10.225 354 2HG2 THR 46 2HG2 THR 46 -6.754 -3.042 -11.131 355 3HG2 THR 46 3HG2 THR 46 -6.103 -4.683 -11.043 356 H GLY 47 H GLY 47 -6.339 -6.903 -7.342 357 1HA GLY 47 1HA GLY 47 -5.158 -8.264 -9.608 358 2HA GLY 47 2HA GLY 47 -4.099 -8.322 -8.239 359 H GLU 48 H GLU 48 -4.402 -9.957 -6.716 360 HA GLU 48 HA GLU 48 -7.101 -10.699 -5.919 361 1HB GLU 48 2HB GLU 48 -6.408 -12.266 -7.891 362 2HB GLU 48 3HB GLU 48 -5.263 -12.974 -6.743 363 1HG GLU 48 2HG GLU 48 -7.260 -13.354 -5.182 364 2HG GLU 48 3HG GLU 48 -8.303 -12.795 -6.503 365 H ALA 49 H ALA 49 -5.538 -9.174 -4.427 366 HA ALA 49 HA ALA 49 -4.748 -10.978 -2.232 367 1HB ALA 49 1HB ALA 49 -2.644 -10.610 -3.446 368 2HB ALA 49 2HB ALA 49 -2.897 -8.848 -3.393 369 3HB ALA 49 3HB ALA 49 -2.626 -9.761 -1.893 370 H SER 50 H SER 50 -4.346 -9.732 -0.238 371 HA SER 50 HA SER 50 -6.284 -7.474 0.029 372 1HB SER 50 2HB SER 50 -5.432 -9.692 1.945 373 2HB SER 50 3HB SER 50 -6.405 -8.297 2.420 374 HG SER 50 HG SER 50 -7.124 -10.025 0.284 375 H ILE 51 H ILE 51 -5.720 -5.863 1.662 376 HA ILE 51 HA ILE 51 -3.222 -4.843 1.400 377 HB ILE 51 HB ILE 51 -5.343 -3.690 2.422 378 1HG1 ILE 51 2HG1 ILE 51 -3.979 -2.212 3.771 379 2HG1 ILE 51 3HG1 ILE 51 -2.592 -3.223 3.377 380 1HG2 ILE 51 1HG2 ILE 51 -4.109 -4.592 5.040 381 2HG2 ILE 51 2HG2 ILE 51 -5.580 -3.644 4.785 382 3HG2 ILE 51 3HG2 ILE 51 -5.563 -5.359 4.343 383 1HD1 ILE 51 1HD1 ILE 51 -2.630 -1.397 1.771 384 2HD1 ILE 51 2HD1 ILE 51 -3.190 -2.797 0.870 385 3HD1 ILE 51 3HD1 ILE 51 -4.358 -1.622 1.476 386 H GLN 52 H GLN 52 -4.067 -7.282 3.751 387 HA GLN 52 HA GLN 52 -2.140 -7.415 5.630 388 1HB GLN 52 2HB GLN 52 -2.876 -9.556 3.602 389 2HB GLN 52 3HB GLN 52 -1.975 -9.901 5.082 390 1HG GLN 52 2HG GLN 52 -3.799 -9.523 6.476 391 2HG GLN 52 3HG GLN 52 -4.615 -8.451 5.339 392 1HE2 GLN 52 1HE2 GLN 52 -6.604 -9.463 5.013 393 2HE2 GLN 52 2HE2 GLN 52 -6.725 -11.094 4.384 394 H GLN 53 H GLN 53 -1.482 -8.168 2.195 395 HA GLN 53 HA GLN 53 1.318 -8.779 2.534 396 1HB GLN 53 2HB GLN 53 -0.212 -7.772 0.121 397 2HB GLN 53 3HB GLN 53 1.381 -8.560 0.102 398 1HG GLN 53 2HG GLN 53 -0.848 -10.142 1.376 399 2HG GLN 53 3HG GLN 53 -0.997 -9.795 -0.344 400 1HE2 GLN 53 1HE2 GLN 53 -0.733 -11.958 -1.003 401 2HE2 GLN 53 2HE2 GLN 53 0.822 -12.752 -0.868 402 H VAL 54 H VAL 54 -0.444 -5.793 1.724 403 HA VAL 54 HA VAL 54 1.919 -4.200 1.184 404 HB VAL 54 HB VAL 54 -0.954 -3.312 1.676 405 1HG1 VAL 54 1HG1 VAL 54 0.579 -1.452 1.899 406 2HG1 VAL 54 2HG1 VAL 54 1.419 -1.902 0.406 407 3HG1 VAL 54 3HG1 VAL 54 -0.260 -1.325 0.354 408 1HG2 VAL 54 1HG2 VAL 54 0.480 -4.082 -0.887 409 2HG2 VAL 54 2HG2 VAL 54 -0.961 -4.861 -0.204 410 3HG2 VAL 54 3HG2 VAL 54 -1.072 -3.217 -0.833 411 H GLU 55 H GLU 55 -0.184 -4.952 3.949 412 HA GLU 55 HA GLU 55 0.748 -2.991 5.757 413 1HB GLU 55 2HB GLU 55 -1.271 -4.601 5.882 414 2HB GLU 55 3HB GLU 55 -0.135 -5.795 6.535 415 1HG GLU 55 2HG GLU 55 -0.613 -3.004 7.661 416 2HG GLU 55 3HG GLU 55 -1.394 -4.481 8.248 417 H GLN 56 H GLN 56 1.780 -6.428 5.131 418 HA GLN 56 HA GLN 56 4.011 -6.503 6.740 419 1HB GLN 56 2HB GLN 56 2.946 -8.352 5.307 420 2HB GLN 56 3HB GLN 56 3.875 -7.709 3.949 421 1HG GLN 56 2HG GLN 56 5.111 -9.497 4.829 422 2HG GLN 56 3HG GLN 56 5.961 -8.007 5.274 423 1HE2 GLN 56 1HE2 GLN 56 6.948 -8.508 7.261 424 2HE2 GLN 56 2HE2 GLN 56 6.079 -9.213 8.613 425 H ALA 57 H ALA 57 3.929 -5.361 3.278 426 HA ALA 57 HA ALA 57 6.550 -4.325 3.097 427 1HB ALA 57 1HB ALA 57 3.947 -3.227 1.950 428 2HB ALA 57 2HB ALA 57 5.556 -2.780 1.447 429 3HB ALA 57 3HB ALA 57 4.989 -4.452 1.219 430 H GLY 58 H GLY 58 3.613 -2.702 4.410 431 1HA GLY 58 1HA GLY 58 4.731 -0.248 4.955 432 2HA GLY 58 2HA GLY 58 3.298 -0.963 5.726 433 H ALA 59 H ALA 59 5.033 -3.290 6.741 434 HA ALA 59 HA ALA 59 5.772 -2.452 9.258 435 1HB ALA 59 1HB ALA 59 7.183 -4.383 9.428 436 2HB ALA 59 2HB ALA 59 5.749 -4.819 8.476 437 3HB ALA 59 3HB ALA 59 7.315 -4.524 7.668 438 H PHE 60 H PHE 60 7.671 -1.938 6.250 439 HA PHE 60 HA PHE 60 10.106 -1.251 7.456 440 1HB PHE 60 2HB PHE 60 10.768 -0.202 5.548 441 2HB PHE 60 3HB PHE 60 9.662 -1.446 4.978 442 HD1 PHE 60 1HD PHE 60 7.018 -0.101 5.303 443 HD2 PHE 60 2HD PHE 60 10.741 1.647 4.093 444 HE1 PHE 60 1HE PHE 60 5.802 1.463 3.905 445 HE2 PHE 60 2HE PHE 60 9.513 3.231 2.656 446 HZ PHE 60 HZ PHE 60 7.029 3.051 2.417 447 H GLU 61 H GLU 61 7.148 0.701 7.300 448 HA GLU 61 HA GLU 61 8.495 2.837 8.890 449 1HB GLU 61 2HB GLU 61 7.878 3.088 6.215 450 2HB GLU 61 3HB GLU 61 6.395 3.682 6.964 451 1HG GLU 61 2HG GLU 61 7.811 5.560 6.612 452 2HG GLU 61 3HG GLU 61 7.863 5.242 8.352 453 H HIS 62 H HIS 62 6.155 0.513 9.019 454 HA HIS 62 HA HIS 62 4.579 0.037 10.549 455 1HB HIS 62 2HB HIS 62 5.692 2.425 12.070 456 2HB HIS 62 3HB HIS 62 4.667 1.151 12.730 457 HD1 HIS 62 1HD HIS 62 6.647 -1.064 10.907 458 HD2 HIS 62 2HD HIS 62 7.543 1.677 13.973 459 HE1 HIS 62 1HE HIS 62 8.700 -1.948 12.082 460 H LEU 63 H LEU 63 3.354 1.024 8.470 461 HA LEU 63 HA LEU 63 1.762 3.386 9.250 462 1HB LEU 63 2HB LEU 63 1.402 1.636 6.804 463 2HB LEU 63 3HB LEU 63 0.704 3.219 7.138 464 HG LEU 63 HG LEU 63 2.348 3.693 5.665 465 1HD1 LEU 63 1HD1 LEU 63 2.422 5.217 7.621 466 2HD1 LEU 63 2HD1 LEU 63 3.681 4.221 8.375 467 3HD1 LEU 63 3HD1 LEU 63 4.029 5.050 6.868 468 1HD2 LEU 63 1HD2 LEU 63 3.553 1.433 6.027 469 2HD2 LEU 63 2HD2 LEU 63 4.522 2.831 5.510 470 3HD2 LEU 63 3HD2 LEU 63 4.556 2.290 7.194 471 H LYS 64 H LYS 64 -0.734 2.992 8.525 472 HA LYS 64 HA LYS 64 -1.843 0.667 9.947 473 1HB LYS 64 2HB LYS 64 -3.277 2.134 11.311 474 2HB LYS 64 3HB LYS 64 -1.594 2.077 11.817 475 1HG LYS 64 2HG LYS 64 -2.729 4.328 10.121 476 2HG LYS 64 3HG LYS 64 -2.823 4.348 11.856 477 1HD LYS 64 2HD LYS 64 -0.076 4.053 10.526 478 2HD LYS 64 3HD LYS 64 -0.954 5.520 10.488 479 1HE LYS 64 2HE LYS 64 0.374 5.786 12.390 480 2HE LYS 64 3HE LYS 64 -1.117 5.205 13.129 481 1HZ LYS 64 1HZ LYS 64 -0.114 2.976 13.100 482 2HZ LYS 64 2HZ LYS 64 1.279 3.573 12.455 483 3HZ LYS 64 3HZ LYS 64 0.799 4.040 13.958 484 H ILE 65 H ILE 65 -2.435 0.078 8.004 485 HA ILE 65 HA ILE 65 -4.138 1.748 6.317 486 HB ILE 65 HB ILE 65 -3.536 -1.140 5.703 487 1HG1 ILE 65 2HG1 ILE 65 -1.624 1.176 5.320 488 2HG1 ILE 65 3HG1 ILE 65 -1.407 -0.355 6.214 489 1HG2 ILE 65 1HG2 ILE 65 -5.163 -0.104 4.308 490 2HG2 ILE 65 2HG2 ILE 65 -4.226 1.377 4.109 491 3HG2 ILE 65 3HG2 ILE 65 -3.686 -0.091 3.339 492 1HD1 ILE 65 1HD1 ILE 65 -1.473 -1.585 4.099 493 2HD1 ILE 65 2HD1 ILE 65 -1.431 -0.021 3.231 494 3HD1 ILE 65 3HD1 ILE 65 -0.107 -0.514 4.301 495 H ILE 66 H ILE 66 -6.375 1.581 6.161 496 HA ILE 66 HA ILE 66 -7.724 -0.654 7.599 497 HB ILE 66 HB ILE 66 -8.508 2.283 7.658 498 1HG1 ILE 66 2HG1 ILE 66 -8.162 1.464 10.292 499 2HG1 ILE 66 3HG1 ILE 66 -6.859 0.598 9.491 500 1HG2 ILE 66 1HG2 ILE 66 -10.239 1.634 9.235 501 2HG2 ILE 66 2HG2 ILE 66 -10.485 0.780 7.715 502 3HG2 ILE 66 3HG2 ILE 66 -9.774 -0.071 9.109 503 1HD1 ILE 66 1HD1 ILE 66 -7.416 3.597 9.465 504 2HD1 ILE 66 2HD1 ILE 66 -6.047 2.764 10.228 505 3HD1 ILE 66 3HD1 ILE 66 -6.171 2.838 8.456 506 HA PRO 67 HA PRO 67 -9.932 -0.754 3.619 507 1HB PRO 67 2HB PRO 67 -11.819 -2.640 4.168 508 2HB PRO 67 3HB PRO 67 -10.102 -3.062 4.032 509 1HG PRO 67 2HG PRO 67 -11.634 -2.482 6.573 510 2HG PRO 67 3HG PRO 67 -10.608 -3.904 6.216 511 1HD PRO 67 2HD PRO 67 -9.659 -1.783 7.591 512 2HD PRO 67 3HD PRO 67 -8.619 -2.614 6.400 513 H GLU 68 H GLU 68 -10.369 1.560 4.605 514 HA GLU 68 HA GLU 68 -12.986 2.194 5.545 515 1HB GLU 68 2HB GLU 68 -10.858 3.651 3.970 516 2HB GLU 68 3HB GLU 68 -12.407 4.425 4.326 517 1HG GLU 68 2HG GLU 68 -11.109 3.146 6.699 518 2HG GLU 68 3HG GLU 68 -10.244 4.517 6.035 519 H LYS 69 H LYS 69 -14.893 2.776 4.385 520 HA LYS 69 HA LYS 69 -14.942 2.702 1.515 521 1HB LYS 69 2HB LYS 69 -15.520 0.237 2.927 522 2HB LYS 69 3HB LYS 69 -17.072 0.936 2.473 523 1HG LYS 69 2HG LYS 69 -15.799 1.285 0.133 524 2HG LYS 69 3HG LYS 69 -14.790 -0.024 0.725 525 1HD LYS 69 2HD LYS 69 -16.762 -1.492 0.904 526 2HD LYS 69 3HD LYS 69 -17.844 -0.099 0.664 527 1HE LYS 69 2HE LYS 69 -16.607 0.202 -1.632 528 2HE LYS 69 3HE LYS 69 -16.128 -1.491 -1.412 529 1HZ LYS 69 1HZ LYS 69 -18.789 -0.255 -1.584 530 2HZ LYS 69 2HZ LYS 69 -18.152 -1.323 -2.637 531 3HZ LYS 69 3HZ LYS 69 -18.620 -1.851 -1.137 532 H GLU 70 H GLU 70 -17.223 3.305 0.766 533 HA GLU 70 HA GLU 70 -18.851 4.796 2.720 534 1HB GLU 70 2HB GLU 70 -16.932 6.122 0.768 535 2HB GLU 70 3HB GLU 70 -18.508 6.867 1.071 536 1HG GLU 70 2HG GLU 70 -16.663 6.186 3.385 537 2HG GLU 70 3HG GLU 70 -16.522 7.685 2.467 538 H ALA 71 H ALA 71 -18.022 4.906 -0.693 539 HA ALA 71 HA ALA 71 -20.499 3.528 -1.563 540 1HB ALA 71 1HB ALA 71 -19.557 5.365 -2.991 541 2HB ALA 71 2HB ALA 71 -18.034 4.463 -3.113 542 3HB ALA 71 3HB ALA 71 -19.530 3.788 -3.802 Start of MODEL 18 1 1H MET 1 H1 MET 1 -11.302 -13.245 -8.953 2 2H MET 1 H2 MET 1 -12.551 -14.350 -9.017 3 3H MET 1 H3 MET 1 -12.841 -12.712 -8.844 4 HA MET 1 HA MET 1 -13.047 -13.513 -6.675 5 1HB MET 1 2HB MET 1 -10.799 -15.225 -7.634 6 2HB MET 1 3HB MET 1 -10.673 -14.730 -5.953 7 1HG MET 1 2HG MET 1 -13.311 -15.902 -6.816 8 2HG MET 1 3HG MET 1 -11.896 -16.948 -6.825 9 1HE MET 1 1HE MET 1 -13.600 -15.115 -2.964 10 2HE MET 1 2HE MET 1 -12.933 -14.075 -4.234 11 3HE MET 1 3HE MET 1 -14.416 -15.017 -4.541 12 H ALA 2 H ALA 2 -11.771 -12.575 -4.811 13 HA ALA 2 HA ALA 2 -11.142 -10.504 -4.032 14 1HB ALA 2 1HB ALA 2 -9.424 -12.127 -3.488 15 2HB ALA 2 2HB ALA 2 -8.589 -11.793 -5.012 16 3HB ALA 2 3HB ALA 2 -8.695 -10.532 -3.770 17 H GLU 3 H GLU 3 -12.342 -9.440 -5.860 18 HA GLU 3 HA GLU 3 -11.003 -8.109 -7.972 19 1HB GLU 3 2HB GLU 3 -13.576 -7.728 -6.420 20 2HB GLU 3 3HB GLU 3 -13.082 -6.453 -7.521 21 1HG GLU 3 2HG GLU 3 -13.027 -7.915 -9.412 22 2HG GLU 3 3HG GLU 3 -13.249 -9.355 -8.399 23 H LYS 4 H LYS 4 -11.156 -5.618 -7.979 24 HA LYS 4 HA LYS 4 -8.838 -4.876 -6.500 25 1HB LYS 4 2HB LYS 4 -9.110 -2.701 -7.700 26 2HB LYS 4 3HB LYS 4 -9.184 -4.131 -8.746 27 1HG LYS 4 2HG LYS 4 -11.794 -3.856 -8.542 28 2HG LYS 4 3HG LYS 4 -11.427 -2.255 -7.906 29 1HD LYS 4 2HD LYS 4 -10.212 -1.681 -9.962 30 2HD LYS 4 3HD LYS 4 -10.324 -3.357 -10.533 31 1HE LYS 4 2HE LYS 4 -12.867 -3.122 -10.490 32 2HE LYS 4 3HE LYS 4 -12.633 -1.388 -10.206 33 1HZ LYS 4 1HZ LYS 4 -12.946 -1.909 -12.525 34 2HZ LYS 4 2HZ LYS 4 -11.429 -1.308 -12.305 35 3HZ LYS 4 3HZ LYS 4 -11.656 -2.924 -12.532 36 H THR 5 H THR 5 -8.525 -3.330 -4.877 37 HA THR 5 HA THR 5 -10.903 -2.019 -3.696 38 HB THR 5 HB THR 5 -9.182 -4.042 -2.162 39 HG1 THR 5 1HG THR 5 -11.486 -3.943 -3.486 40 1HG2 THR 5 1HG2 THR 5 -10.691 -3.525 -0.246 41 2HG2 THR 5 2HG2 THR 5 -9.722 -2.106 -0.659 42 3HG2 THR 5 3HG2 THR 5 -11.422 -2.197 -1.164 43 H VAL 6 H VAL 6 -10.435 -0.190 -2.630 44 HA VAL 6 HA VAL 6 -7.639 0.288 -2.220 45 HB VAL 6 HB VAL 6 -8.144 1.711 -3.974 46 1HG1 VAL 6 1HG1 VAL 6 -10.749 2.541 -2.737 47 2HG1 VAL 6 2HG1 VAL 6 -9.997 3.230 -4.205 48 3HG1 VAL 6 3HG1 VAL 6 -10.477 1.537 -4.194 49 1HG2 VAL 6 1HG2 VAL 6 -8.639 3.561 -1.595 50 2HG2 VAL 6 2HG2 VAL 6 -7.041 2.970 -2.076 51 3HG2 VAL 6 3HG2 VAL 6 -7.958 4.011 -3.170 52 H TYR 7 H TYR 7 -6.953 1.072 -0.373 53 HA TYR 7 HA TYR 7 -8.914 1.135 1.891 54 1HB TYR 7 2HB TYR 7 -6.015 0.224 1.916 55 2HB TYR 7 3HB TYR 7 -7.179 0.136 3.229 56 HD1 TYR 7 HD1 TYR 7 -6.531 -1.200 -0.252 57 HD2 TYR 7 HD2 TYR 7 -8.087 -1.944 3.691 58 HE1 TYR 7 HE1 TYR 7 -6.879 -3.560 -0.838 59 HE2 TYR 7 HE2 TYR 7 -8.457 -4.316 3.090 60 HH TYR 7 HH TYR 7 -7.768 -5.651 -0.088 61 H ARG 8 H ARG 8 -7.998 2.529 3.734 62 HA ARG 8 HA ARG 8 -6.612 4.894 2.540 63 1HB ARG 8 2HB ARG 8 -8.543 4.684 4.873 64 2HB ARG 8 3HB ARG 8 -7.628 6.138 4.425 65 1HG ARG 8 2HG ARG 8 -8.600 5.954 2.076 66 2HG ARG 8 3HG ARG 8 -9.601 4.619 2.651 67 1HD ARG 8 2HD ARG 8 -10.827 6.681 2.591 68 2HD ARG 8 3HD ARG 8 -10.689 6.105 4.277 69 HE ARG 8 HE ARG 8 -8.579 7.948 3.595 70 1HH1 ARG 8 2HH2 ARG 8 -12.078 7.903 4.099 71 2HH1 ARG 8 1HH2 ARG 8 -12.147 9.347 5.058 72 1HH2 ARG 8 2HH1 ARG 8 -8.644 10.036 4.652 73 2HH2 ARG 8 1HH1 ARG 8 -10.157 10.683 5.204 74 H VAL 9 H VAL 9 -4.717 5.656 3.394 75 HA VAL 9 HA VAL 9 -3.562 4.036 5.648 76 HB VAL 9 HB VAL 9 -2.453 3.235 3.737 77 1HG1 VAL 9 1HG1 VAL 9 -2.112 6.110 2.764 78 2HG1 VAL 9 2HG1 VAL 9 -1.447 4.659 1.997 79 3HG1 VAL 9 3HG1 VAL 9 -3.183 4.883 2.046 80 1HG2 VAL 9 1HG2 VAL 9 -0.185 3.866 4.080 81 2HG2 VAL 9 2HG2 VAL 9 -0.633 5.447 4.742 82 3HG2 VAL 9 3HG2 VAL 9 -1.003 3.959 5.644 83 H ASP 10 H ASP 10 -2.415 5.205 7.246 84 HA ASP 10 HA ASP 10 -1.973 8.062 6.672 85 1HB ASP 10 2HB ASP 10 -4.335 7.611 7.786 86 2HB ASP 10 3HB ASP 10 -3.403 7.423 9.266 87 H GLY 11 H GLY 11 -0.799 9.060 8.523 88 1HA GLY 11 1HA GLY 11 1.167 9.213 9.707 89 2HA GLY 11 2HA GLY 11 0.681 7.683 10.447 90 H LEU 12 H LEU 12 2.137 8.922 7.384 91 HA LEU 12 HA LEU 12 4.264 6.873 7.538 92 1HB LEU 12 2HB LEU 12 4.123 6.481 5.177 93 2HB LEU 12 3HB LEU 12 2.544 6.180 5.891 94 HG LEU 12 HG LEU 12 2.184 7.110 3.858 95 1HD1 LEU 12 1HD1 LEU 12 1.617 9.478 5.607 96 2HD1 LEU 12 2HD1 LEU 12 0.773 8.919 4.159 97 3HD1 LEU 12 3HD1 LEU 12 0.706 7.933 5.632 98 1HD2 LEU 12 1HD2 LEU 12 4.439 8.179 3.531 99 2HD2 LEU 12 2HD2 LEU 12 3.059 9.091 2.901 100 3HD2 LEU 12 3HD2 LEU 12 3.810 9.610 4.399 101 H SER 13 H SER 13 6.204 7.576 6.192 102 HA SER 13 HA SER 13 6.950 10.218 6.888 103 1HB SER 13 2HB SER 13 8.209 8.114 5.116 104 2HB SER 13 3HB SER 13 8.898 9.745 5.255 105 HG SER 13 HG SER 13 8.914 7.702 7.061 106 H CYS 14 H CYS 14 6.987 9.199 3.385 107 HA CYS 14 HA CYS 14 5.268 11.245 2.520 108 1HB CYS 14 2HB CYS 14 7.556 12.474 3.460 109 2HB CYS 14 3HB CYS 14 8.038 12.196 1.796 110 HG CYS 14 HG CYS 14 6.134 13.523 0.691 111 H THR 15 H THR 15 6.354 11.877 0.032 112 HA THR 15 HA THR 15 5.667 9.807 -1.526 113 HB THR 15 HB THR 15 5.929 12.162 -2.203 114 HG1 THR 15 1HG THR 15 6.981 10.138 -3.874 115 1HG2 THR 15 1HG2 THR 15 8.843 11.462 -2.781 116 2HG2 THR 15 2HG2 THR 15 7.997 12.970 -3.146 117 3HG2 THR 15 3HG2 THR 15 8.304 12.525 -1.458 118 H ASN 16 H ASN 16 8.974 10.383 -0.324 119 HA ASN 16 HA ASN 16 10.396 8.520 -1.780 120 1HB ASN 16 2HB ASN 16 10.682 9.142 1.195 121 2HB ASN 16 3HB ASN 16 11.903 8.375 0.175 122 1HD2 ASN 16 1HD2 ASN 16 10.588 11.427 1.231 123 2HD2 ASN 16 2HD2 ASN 16 11.522 12.417 0.129 124 H CYS 17 H CYS 17 8.439 8.011 1.161 125 HA CYS 17 HA CYS 17 8.895 5.105 1.223 126 1HB CYS 17 2HB CYS 17 7.266 7.063 2.838 127 2HB CYS 17 3HB CYS 17 6.937 5.322 2.918 128 HG CYS 17 HG CYS 17 9.958 6.578 3.164 129 H ALA 18 H ALA 18 6.460 7.417 -0.001 130 HA ALA 18 HA ALA 18 4.421 5.571 -0.580 131 1HB ALA 18 1HB ALA 18 4.387 8.101 -0.978 132 2HB ALA 18 2HB ALA 18 5.170 7.773 -2.537 133 3HB ALA 18 3HB ALA 18 3.589 7.075 -2.194 134 H ALA 19 H ALA 19 7.291 6.479 -2.445 135 HA ALA 19 HA ALA 19 6.861 4.822 -4.733 136 1HB ALA 19 1HB ALA 19 8.497 6.672 -4.690 137 2HB ALA 19 2HB ALA 19 9.500 5.778 -3.529 138 3HB ALA 19 3HB ALA 19 9.259 5.140 -5.165 139 H LYS 20 H LYS 20 8.785 4.313 -1.735 140 HA LYS 20 HA LYS 20 9.562 1.667 -2.254 141 1HB LYS 20 2HB LYS 20 10.377 3.122 -0.416 142 2HB LYS 20 3HB LYS 20 8.879 2.828 0.482 143 1HG LYS 20 2HG LYS 20 9.414 0.624 0.959 144 2HG LYS 20 3HG LYS 20 10.386 0.405 -0.495 145 1HD LYS 20 2HD LYS 20 12.167 1.811 0.397 146 2HD LYS 20 3HD LYS 20 11.209 2.172 1.854 147 1HE LYS 20 2HE LYS 20 11.302 -0.138 2.584 148 2HE LYS 20 3HE LYS 20 12.005 -0.669 1.048 149 1HZ LYS 20 1HZ LYS 20 13.343 1.124 2.967 150 2HZ LYS 20 2HZ LYS 20 13.653 -0.482 2.781 151 3HZ LYS 20 3HZ LYS 20 13.977 0.562 1.555 152 H PHE 21 H PHE 21 6.504 2.892 -0.867 153 HA PHE 21 HA PHE 21 5.421 0.341 -0.277 154 1HB PHE 21 2HB PHE 21 4.660 2.786 0.418 155 2HB PHE 21 3HB PHE 21 3.659 2.687 -1.015 156 HD1 PHE 21 1HD PHE 21 4.572 0.221 1.759 157 HD2 PHE 21 2HD PHE 21 1.393 2.213 -0.364 158 HE1 PHE 21 1HE PHE 21 3.001 -0.298 3.570 159 HE2 PHE 21 2HE PHE 21 -0.058 1.981 1.643 160 HZ PHE 21 HZ PHE 21 0.902 1.027 3.727 161 H GLU 22 H GLU 22 4.808 2.490 -3.150 162 HA GLU 22 HA GLU 22 3.077 0.651 -4.395 163 1HB GLU 22 2HB GLU 22 3.098 1.963 -6.258 164 2HB GLU 22 3HB GLU 22 3.668 3.128 -5.056 165 1HG GLU 22 2HG GLU 22 5.923 2.946 -5.812 166 2HG GLU 22 3HG GLU 22 5.498 1.666 -6.971 167 H ARG 23 H ARG 23 6.608 1.010 -4.610 168 HA ARG 23 HA ARG 23 7.076 -1.037 -6.514 169 1HB ARG 23 2HB ARG 23 8.684 0.803 -5.556 170 2HB ARG 23 3HB ARG 23 8.944 -0.303 -4.206 171 1HG ARG 23 2HG ARG 23 10.677 -0.950 -5.570 172 2HG ARG 23 3HG ARG 23 9.432 -2.051 -6.175 173 1HD ARG 23 2HD ARG 23 8.884 -0.360 -7.966 174 2HD ARG 23 3HD ARG 23 10.213 0.652 -7.337 175 HE ARG 23 HE ARG 23 11.065 -2.047 -7.922 176 1HH1 ARG 23 2HH2 ARG 23 10.346 1.053 -9.430 177 2HH1 ARG 23 1HH2 ARG 23 11.401 0.843 -10.793 178 1HH2 ARG 23 2HH1 ARG 23 12.461 -2.399 -9.740 179 2HH2 ARG 23 1HH1 ARG 23 12.627 -1.196 -10.977 180 H ASN 24 H ASN 24 7.187 -1.150 -2.902 181 HA ASN 24 HA ASN 24 7.692 -3.871 -2.539 182 1HB ASN 24 2HB ASN 24 6.270 -1.754 -0.945 183 2HB ASN 24 3HB ASN 24 5.825 -3.403 -0.592 184 1HD2 ASN 24 1HD2 ASN 24 7.756 -4.994 -0.358 185 2HD2 ASN 24 2HD2 ASN 24 8.950 -4.410 0.778 186 H VAL 25 H VAL 25 4.487 -2.271 -3.050 187 HA VAL 25 HA VAL 25 3.101 -4.756 -2.950 188 HB VAL 25 HB VAL 25 2.196 -2.199 -4.325 189 1HG1 VAL 25 1HG1 VAL 25 0.901 -4.193 -5.021 190 2HG1 VAL 25 2HG1 VAL 25 0.675 -4.662 -3.324 191 3HG1 VAL 25 3HG1 VAL 25 -0.070 -3.182 -3.940 192 1HG2 VAL 25 1HG2 VAL 25 0.858 -1.994 -2.153 193 2HG2 VAL 25 2HG2 VAL 25 1.878 -3.299 -1.500 194 3HG2 VAL 25 3HG2 VAL 25 2.586 -1.754 -1.941 195 H LYS 26 H LYS 26 4.320 -2.890 -5.781 196 HA LYS 26 HA LYS 26 3.648 -4.699 -7.825 197 1HB LYS 26 2HB LYS 26 5.772 -2.615 -7.364 198 2HB LYS 26 3HB LYS 26 5.887 -3.609 -8.804 199 1HG LYS 26 2HG LYS 26 3.886 -2.842 -9.673 200 2HG LYS 26 3HG LYS 26 3.240 -2.323 -8.101 201 1HD LYS 26 2HD LYS 26 4.580 -0.388 -8.024 202 2HD LYS 26 3HD LYS 26 5.637 -0.954 -9.327 203 1HE LYS 26 2HE LYS 26 3.785 -0.741 -10.958 204 2HE LYS 26 3HE LYS 26 2.645 -0.342 -9.660 205 1HZ LYS 26 1HZ LYS 26 3.342 1.615 -10.830 206 2HZ LYS 26 2HZ LYS 26 3.864 1.724 -9.298 207 3HZ LYS 26 3HZ LYS 26 4.922 1.356 -10.467 208 H GLU 27 H GLU 27 6.355 -4.928 -5.496 209 HA GLU 27 HA GLU 27 7.645 -7.123 -6.820 210 1HB GLU 27 2HB GLU 27 7.726 -6.134 -3.954 211 2HB GLU 27 3HB GLU 27 8.761 -7.413 -4.570 212 1HG GLU 27 2HG GLU 27 9.959 -5.987 -5.995 213 2HG GLU 27 3HG GLU 27 8.711 -4.746 -6.008 214 H ILE 28 H ILE 28 4.691 -7.060 -4.886 215 HA ILE 28 HA ILE 28 4.970 -9.844 -4.015 216 HB ILE 28 HB ILE 28 2.491 -8.123 -4.090 217 1HG1 ILE 28 2HG1 ILE 28 4.159 -8.527 -1.589 218 2HG1 ILE 28 3HG1 ILE 28 4.392 -7.146 -2.658 219 1HG2 ILE 28 1HG2 ILE 28 3.091 -10.850 -3.055 220 2HG2 ILE 28 2HG2 ILE 28 2.167 -9.830 -1.969 221 3HG2 ILE 28 3HG2 ILE 28 1.558 -10.121 -3.600 222 1HD1 ILE 28 1HD1 ILE 28 2.867 -6.469 -0.913 223 2HD1 ILE 28 2HD1 ILE 28 1.981 -6.546 -2.453 224 3HD1 ILE 28 3HD1 ILE 28 1.775 -7.817 -1.270 225 H GLU 29 H GLU 29 4.153 -11.662 -5.127 226 HA GLU 29 HA GLU 29 3.284 -11.355 -7.852 227 1HB GLU 29 2HB GLU 29 3.915 -13.651 -5.945 228 2HB GLU 29 3HB GLU 29 3.220 -13.922 -7.530 229 1HG GLU 29 2HG GLU 29 5.099 -12.764 -8.619 230 2HG GLU 29 3HG GLU 29 5.835 -12.437 -7.039 231 H GLY 30 H GLY 30 1.687 -11.670 -4.873 232 1HA GLY 30 1HA GLY 30 -0.716 -13.036 -5.700 233 2HA GLY 30 2HA GLY 30 -0.524 -12.039 -4.250 234 H VAL 31 H VAL 31 0.299 -9.643 -5.808 235 HA VAL 31 HA VAL 31 -2.378 -8.702 -6.586 236 HB VAL 31 HB VAL 31 -1.010 -7.725 -4.733 237 1HG1 VAL 31 1HG1 VAL 31 1.205 -7.903 -5.962 238 2HG1 VAL 31 2HG1 VAL 31 0.724 -6.473 -6.889 239 3HG1 VAL 31 3HG1 VAL 31 0.869 -6.400 -5.113 240 1HG2 VAL 31 1HG2 VAL 31 -1.502 -5.670 -6.875 241 2HG2 VAL 31 2HG2 VAL 31 -2.790 -6.479 -5.934 242 3HG2 VAL 31 3HG2 VAL 31 -1.557 -5.490 -5.119 243 H THR 32 H THR 32 -2.022 -6.824 -8.368 244 HA THR 32 HA THR 32 -0.159 -7.683 -10.512 245 HB THR 32 HB THR 32 -3.166 -7.327 -10.857 246 HG1 THR 32 1HG THR 32 -1.520 -9.482 -10.368 247 1HG2 THR 32 1HG2 THR 32 -0.991 -8.013 -12.874 248 2HG2 THR 32 2HG2 THR 32 -2.742 -8.115 -13.167 249 3HG2 THR 32 3HG2 THR 32 -1.993 -6.544 -12.843 250 H GLU 33 H GLU 33 -2.777 -5.338 -9.646 251 HA GLU 33 HA GLU 33 -0.845 -3.174 -10.485 252 1HB GLU 33 2HB GLU 33 -3.842 -3.277 -10.973 253 2HB GLU 33 3HB GLU 33 -2.930 -1.773 -10.820 254 1HG GLU 33 2HG GLU 33 -1.354 -3.081 -12.634 255 2HG GLU 33 3HG GLU 33 -2.926 -3.792 -13.017 256 H ALA 34 H ALA 34 -0.698 -1.374 -9.206 257 HA ALA 34 HA ALA 34 -2.151 -1.359 -6.652 258 1HB ALA 34 1HB ALA 34 -0.149 -2.743 -6.283 259 2HB ALA 34 2HB ALA 34 0.898 -1.433 -6.864 260 3HB ALA 34 3HB ALA 34 -0.051 -1.211 -5.374 261 H ILE 35 H ILE 35 -2.750 0.781 -6.293 262 HA ILE 35 HA ILE 35 -1.034 2.896 -7.596 263 HB ILE 35 HB ILE 35 -4.064 2.874 -7.754 264 1HG1 ILE 35 2HG1 ILE 35 -2.028 2.447 -9.987 265 2HG1 ILE 35 3HG1 ILE 35 -2.964 1.142 -9.250 266 1HG2 ILE 35 1HG2 ILE 35 -3.736 4.858 -9.142 267 2HG2 ILE 35 2HG2 ILE 35 -2.999 5.115 -7.565 268 3HG2 ILE 35 3HG2 ILE 35 -1.974 4.726 -8.962 269 1HD1 ILE 35 1HD1 ILE 35 -4.021 1.745 -11.287 270 2HD1 ILE 35 2HD1 ILE 35 -5.074 2.195 -9.932 271 3HD1 ILE 35 3HD1 ILE 35 -4.156 3.443 -10.813 272 H VAL 36 H VAL 36 -0.072 3.634 -5.772 273 HA VAL 36 HA VAL 36 -1.782 4.220 -3.417 274 HB VAL 36 HB VAL 36 0.209 2.854 -3.053 275 1HG1 VAL 36 1HG1 VAL 36 1.656 3.864 -4.825 276 2HG1 VAL 36 2HG1 VAL 36 1.870 5.295 -3.800 277 3HG1 VAL 36 3HG1 VAL 36 2.432 3.714 -3.233 278 1HG2 VAL 36 1HG2 VAL 36 0.378 5.631 -1.820 279 2HG2 VAL 36 2HG2 VAL 36 -0.616 4.287 -1.223 280 3HG2 VAL 36 3HG2 VAL 36 1.159 4.194 -1.193 281 H ASN 37 H ASN 37 -2.181 6.239 -2.681 282 HA ASN 37 HA ASN 37 -0.538 8.479 -3.718 283 1HB ASN 37 2HB ASN 37 -3.555 8.367 -3.846 284 2HB ASN 37 3HB ASN 37 -2.718 9.899 -3.573 285 1HD2 ASN 37 1HD2 ASN 37 -4.385 9.372 -5.862 286 2HD2 ASN 37 2HD2 ASN 37 -3.307 9.487 -7.239 287 H PHE 38 H PHE 38 0.447 7.671 -1.802 288 HA PHE 38 HA PHE 38 -0.297 8.247 0.880 289 1HB PHE 38 2HB PHE 38 2.233 8.454 -0.789 290 2HB PHE 38 3HB PHE 38 2.221 9.107 0.832 291 HD1 PHE 38 1HD PHE 38 0.175 6.102 0.598 292 HD2 PHE 38 2HD PHE 38 4.152 7.650 1.261 293 HE1 PHE 38 1HE PHE 38 0.727 4.162 1.935 294 HE2 PHE 38 2HE PHE 38 4.703 5.663 2.560 295 HZ PHE 38 HZ PHE 38 3.024 3.822 2.848 296 H GLY 39 H GLY 39 0.264 10.437 -1.827 297 1HA GLY 39 1HA GLY 39 0.820 12.717 -0.339 298 2HA GLY 39 2HA GLY 39 -0.006 12.698 -1.921 299 H ALA 40 H ALA 40 -2.164 10.868 -0.511 300 HA ALA 40 HA ALA 40 -3.285 12.782 1.468 301 1HB ALA 40 1HB ALA 40 -4.711 12.982 -0.474 302 2HB ALA 40 2HB ALA 40 -4.854 11.221 -0.621 303 3HB ALA 40 3HB ALA 40 -5.557 12.067 0.787 304 H SER 41 H SER 41 -4.864 9.699 0.820 305 HA SER 41 HA SER 41 -3.505 8.273 2.867 306 1HB SER 41 2HB SER 41 -6.314 9.417 3.377 307 2HB SER 41 3HB SER 41 -5.459 8.312 4.457 308 HG SER 41 HG SER 41 -3.816 10.078 4.500 309 H LYS 42 H LYS 42 -3.678 7.308 0.432 310 HA LYS 42 HA LYS 42 -5.862 5.388 0.524 311 1HB LYS 42 2HB LYS 42 -6.719 5.872 -1.715 312 2HB LYS 42 3HB LYS 42 -7.017 7.136 -0.536 313 1HG LYS 42 2HG LYS 42 -4.837 8.263 -1.525 314 2HG LYS 42 3HG LYS 42 -4.984 7.042 -2.792 315 1HD LYS 42 2HD LYS 42 -5.911 9.148 -3.523 316 2HD LYS 42 3HD LYS 42 -7.198 7.937 -3.430 317 1HE LYS 42 2HE LYS 42 -8.231 8.957 -1.595 318 2HE LYS 42 3HE LYS 42 -6.728 9.663 -0.992 319 1HZ LYS 42 1HZ LYS 42 -6.808 11.281 -2.729 320 2HZ LYS 42 2HZ LYS 42 -8.177 10.623 -3.367 321 3HZ LYS 42 3HZ LYS 42 -8.209 11.316 -1.878 322 H ILE 43 H ILE 43 -5.477 3.572 -0.450 323 HA ILE 43 HA ILE 43 -3.134 3.202 -2.212 324 HB ILE 43 HB ILE 43 -2.253 3.057 -0.013 325 1HG1 ILE 43 2HG1 ILE 43 -1.161 1.665 -1.626 326 2HG1 ILE 43 3HG1 ILE 43 -1.139 0.931 -0.026 327 1HG2 ILE 43 1HG2 ILE 43 -4.208 0.847 0.643 328 2HG2 ILE 43 2HG2 ILE 43 -2.817 1.354 1.610 329 3HG2 ILE 43 3HG2 ILE 43 -4.146 2.477 1.342 330 1HD1 ILE 43 1HD1 ILE 43 -2.742 0.045 -2.402 331 2HD1 ILE 43 2HD1 ILE 43 -1.482 -0.813 -1.527 332 3HD1 ILE 43 3HD1 ILE 43 -3.059 -0.556 -0.757 333 H THR 44 H THR 44 -4.089 2.456 -3.983 334 HA THR 44 HA THR 44 -6.289 0.527 -3.896 335 HB THR 44 HB THR 44 -4.657 1.502 -6.236 336 HG1 THR 44 1HG THR 44 -7.057 2.559 -5.384 337 1HG2 THR 44 1HG2 THR 44 -6.700 1.016 -7.548 338 2HG2 THR 44 2HG2 THR 44 -5.998 -0.436 -6.829 339 3HG2 THR 44 3HG2 THR 44 -7.441 0.299 -6.100 340 H VAL 45 H VAL 45 -6.095 -1.586 -4.140 341 HA VAL 45 HA VAL 45 -3.562 -2.801 -5.104 342 HB VAL 45 HB VAL 45 -5.284 -3.358 -2.693 343 1HG1 VAL 45 1HG1 VAL 45 -4.460 -5.684 -2.489 344 2HG1 VAL 45 2HG1 VAL 45 -5.577 -5.501 -3.844 345 3HG1 VAL 45 3HG1 VAL 45 -3.827 -5.602 -4.138 346 1HG2 VAL 45 1HG2 VAL 45 -2.320 -3.848 -3.159 347 2HG2 VAL 45 2HG2 VAL 45 -3.004 -2.314 -2.593 348 3HG2 VAL 45 3HG2 VAL 45 -3.188 -3.778 -1.607 349 H THR 46 H THR 46 -3.917 -4.247 -6.799 350 HA THR 46 HA THR 46 -6.632 -5.286 -7.286 351 HB THR 46 HB THR 46 -4.936 -3.538 -9.134 352 HG1 THR 46 1HG THR 46 -6.949 -3.303 -7.496 353 1HG2 THR 46 1HG2 THR 46 -6.746 -3.910 -10.837 354 2HG2 THR 46 2HG2 THR 46 -5.788 -5.368 -10.551 355 3HG2 THR 46 3HG2 THR 46 -7.404 -5.215 -9.827 356 H GLY 47 H GLY 47 -6.489 -7.294 -8.016 357 1HA GLY 47 1HA GLY 47 -4.915 -8.413 -9.848 358 2HA GLY 47 2HA GLY 47 -3.810 -8.476 -8.482 359 H GLU 48 H GLU 48 -4.236 -9.882 -6.723 360 HA GLU 48 HA GLU 48 -6.894 -10.805 -6.201 361 1HB GLU 48 2HB GLU 48 -5.726 -12.376 -8.064 362 2HB GLU 48 3HB GLU 48 -5.020 -13.142 -6.651 363 1HG GLU 48 2HG GLU 48 -7.279 -13.615 -5.783 364 2HG GLU 48 3HG GLU 48 -8.000 -12.613 -7.070 365 H ALA 49 H ALA 49 -5.419 -9.178 -4.635 366 HA ALA 49 HA ALA 49 -4.846 -10.865 -2.279 367 1HB ALA 49 1HB ALA 49 -2.863 -8.856 -3.432 368 2HB ALA 49 2HB ALA 49 -2.725 -9.676 -1.864 369 3HB ALA 49 3HB ALA 49 -2.652 -10.623 -3.360 370 H SER 50 H SER 50 -4.287 -9.378 -0.371 371 HA SER 50 HA SER 50 -6.176 -7.081 -0.289 372 1HB SER 50 2HB SER 50 -5.761 -9.357 1.705 373 2HB SER 50 3HB SER 50 -6.712 -7.903 2.030 374 HG SER 50 HG SER 50 -8.046 -9.608 1.249 375 H ILE 51 H ILE 51 -5.801 -5.619 1.606 376 HA ILE 51 HA ILE 51 -3.256 -4.686 1.546 377 HB ILE 51 HB ILE 51 -5.457 -3.534 2.457 378 1HG1 ILE 51 2HG1 ILE 51 -4.124 -1.934 3.706 379 2HG1 ILE 51 3HG1 ILE 51 -2.716 -2.969 3.399 380 1HG2 ILE 51 1HG2 ILE 51 -4.184 -4.264 5.111 381 2HG2 ILE 51 2HG2 ILE 51 -5.667 -3.348 4.820 382 3HG2 ILE 51 3HG2 ILE 51 -5.639 -5.085 4.478 383 1HD1 ILE 51 1HD1 ILE 51 -3.222 -2.668 0.877 384 2HD1 ILE 51 2HD1 ILE 51 -4.494 -1.543 1.361 385 3HD1 ILE 51 3HD1 ILE 51 -2.804 -1.176 1.715 386 H GLN 52 H GLN 52 -4.360 -7.198 3.690 387 HA GLN 52 HA GLN 52 -2.573 -7.442 5.731 388 1HB GLN 52 2HB GLN 52 -3.301 -9.501 3.597 389 2HB GLN 52 3HB GLN 52 -2.447 -9.916 5.083 390 1HG GLN 52 2HG GLN 52 -5.205 -8.602 5.052 391 2HG GLN 52 3HG GLN 52 -4.922 -10.342 5.113 392 1HE2 GLN 52 1HE2 GLN 52 -5.481 -7.666 7.103 393 2HE2 GLN 52 2HE2 GLN 52 -4.813 -8.355 8.570 394 H GLN 53 H GLN 53 -1.765 -8.110 2.292 395 HA GLN 53 HA GLN 53 0.984 -8.836 2.946 396 1HB GLN 53 2HB GLN 53 -0.145 -8.011 0.245 397 2HB GLN 53 3HB GLN 53 1.360 -8.899 0.595 398 1HG GLN 53 2HG GLN 53 -0.024 -10.721 1.632 399 2HG GLN 53 3HG GLN 53 -1.480 -9.901 1.035 400 1HE2 GLN 53 1HE2 GLN 53 -0.009 -12.576 0.312 401 2HE2 GLN 53 2HE2 GLN 53 0.048 -12.484 -1.438 402 H VAL 54 H VAL 54 -0.628 -5.853 1.923 403 HA VAL 54 HA VAL 54 1.790 -4.400 1.307 404 HB VAL 54 HB VAL 54 -1.004 -3.331 1.906 405 1HG1 VAL 54 1HG1 VAL 54 1.390 -2.094 0.504 406 2HG1 VAL 54 2HG1 VAL 54 -0.253 -1.418 0.503 407 3HG1 VAL 54 3HG1 VAL 54 0.631 -1.576 2.018 408 1HG2 VAL 54 1HG2 VAL 54 -1.110 -3.263 -0.662 409 2HG2 VAL 54 2HG2 VAL 54 0.218 -4.438 -0.640 410 3HG2 VAL 54 3HG2 VAL 54 -1.329 -4.842 0.107 411 H GLU 55 H GLU 55 -0.330 -4.815 4.138 412 HA GLU 55 HA GLU 55 0.735 -2.904 5.882 413 1HB GLU 55 2HB GLU 55 -1.379 -4.271 6.077 414 2HB GLU 55 3HB GLU 55 -0.401 -5.658 6.565 415 1HG GLU 55 2HG GLU 55 -0.401 -2.960 7.973 416 2HG GLU 55 3HG GLU 55 -1.443 -4.320 8.423 417 H GLN 56 H GLN 56 1.453 -6.423 5.481 418 HA GLN 56 HA GLN 56 3.632 -6.557 7.173 419 1HB GLN 56 2HB GLN 56 2.448 -8.442 6.072 420 2HB GLN 56 3HB GLN 56 3.348 -8.155 4.581 421 1HG GLN 56 2HG GLN 56 4.884 -8.520 7.174 422 2HG GLN 56 3HG GLN 56 4.081 -9.918 6.462 423 1HE2 GLN 56 1HE2 GLN 56 5.818 -11.130 5.730 424 2HE2 GLN 56 2HE2 GLN 56 6.967 -10.513 4.554 425 H ALA 57 H ALA 57 3.818 -5.923 3.593 426 HA ALA 57 HA ALA 57 6.547 -5.299 3.450 427 1HB ALA 57 1HB ALA 57 4.179 -4.037 2.000 428 2HB ALA 57 2HB ALA 57 5.881 -3.795 1.589 429 3HB ALA 57 3HB ALA 57 5.162 -5.418 1.462 430 H GLY 58 H GLY 58 3.821 -3.157 4.363 431 1HA GLY 58 1HA GLY 58 5.080 -0.709 4.675 432 2HA GLY 58 2HA GLY 58 3.639 -1.300 5.541 433 H ALA 59 H ALA 59 5.424 -3.601 6.698 434 HA ALA 59 HA ALA 59 6.133 -2.537 9.148 435 1HB ALA 59 1HB ALA 59 7.568 -4.763 7.657 436 2HB ALA 59 2HB ALA 59 7.623 -4.455 9.404 437 3HB ALA 59 3HB ALA 59 6.094 -4.941 8.648 438 H PHE 60 H PHE 60 7.901 -2.057 6.083 439 HA PHE 60 HA PHE 60 10.377 -1.294 7.213 440 1HB PHE 60 2HB PHE 60 10.819 -0.028 5.253 441 2HB PHE 60 3HB PHE 60 10.109 -1.585 4.846 442 HD1 PHE 60 1HD PHE 60 8.423 -1.618 3.170 443 HD2 PHE 60 2HD PHE 60 9.332 2.080 5.181 444 HE1 PHE 60 1HE PHE 60 6.808 -0.447 1.743 445 HE2 PHE 60 2HE PHE 60 7.608 3.230 3.836 446 HZ PHE 60 HZ PHE 60 6.351 1.990 2.091 447 H GLU 61 H GLU 61 7.354 0.535 7.121 448 HA GLU 61 HA GLU 61 8.635 2.719 8.740 449 1HB GLU 61 2HB GLU 61 7.982 3.368 6.431 450 2HB GLU 61 3HB GLU 61 6.317 2.909 6.786 451 1HG GLU 61 2HG GLU 61 6.522 5.291 6.923 452 2HG GLU 61 3HG GLU 61 6.369 4.749 8.596 453 H HIS 62 H HIS 62 6.138 0.308 8.647 454 HA HIS 62 HA HIS 62 4.699 -0.459 10.169 455 1HB HIS 62 2HB HIS 62 5.353 1.736 12.144 456 2HB HIS 62 3HB HIS 62 4.741 0.117 12.444 457 HD1 HIS 62 1HD HIS 62 7.296 -1.266 10.658 458 HD2 HIS 62 2HD HIS 62 7.402 1.612 13.731 459 HE1 HIS 62 1HE HIS 62 9.562 -1.457 11.746 460 H LEU 63 H LEU 63 3.496 0.779 8.163 461 HA LEU 63 HA LEU 63 2.102 3.205 9.028 462 1HB LEU 63 2HB LEU 63 1.440 1.435 6.638 463 2HB LEU 63 3HB LEU 63 0.882 3.071 6.965 464 HG LEU 63 HG LEU 63 2.434 3.528 5.434 465 1HD1 LEU 63 1HD1 LEU 63 4.247 3.551 7.895 466 2HD1 LEU 63 2HD1 LEU 63 4.390 4.530 6.432 467 3HD1 LEU 63 3HD1 LEU 63 3.007 4.755 7.526 468 1HD2 LEU 63 1HD2 LEU 63 4.449 1.535 6.542 469 2HD2 LEU 63 2HD2 LEU 63 3.269 1.141 5.287 470 3HD2 LEU 63 3HD2 LEU 63 4.499 2.382 4.987 471 H LYS 64 H LYS 64 -0.329 3.361 8.887 472 HA LYS 64 HA LYS 64 -1.694 0.882 9.806 473 1HB LYS 64 2HB LYS 64 -3.228 2.372 11.154 474 2HB LYS 64 3HB LYS 64 -1.622 1.998 11.771 475 1HG LYS 64 2HG LYS 64 -1.670 4.166 12.342 476 2HG LYS 64 3HG LYS 64 -0.909 4.316 10.786 477 1HD LYS 64 2HD LYS 64 -2.412 5.809 10.282 478 2HD LYS 64 3HD LYS 64 -3.625 4.555 10.100 479 1HE LYS 64 2HE LYS 64 -2.988 6.022 12.727 480 2HE LYS 64 3HE LYS 64 -4.219 6.566 11.588 481 1HZ LYS 64 1HZ LYS 64 -5.430 4.585 11.922 482 2HZ LYS 64 2HZ LYS 64 -4.258 3.921 12.872 483 3HZ LYS 64 3HZ LYS 64 -5.105 5.234 13.393 484 H ILE 65 H ILE 65 -3.113 0.259 8.374 485 HA ILE 65 HA ILE 65 -4.316 2.239 6.552 486 HB ILE 65 HB ILE 65 -3.935 -0.615 5.701 487 1HG1 ILE 65 2HG1 ILE 65 -1.693 1.402 5.740 488 2HG1 ILE 65 3HG1 ILE 65 -1.786 -0.303 6.286 489 1HG2 ILE 65 1HG2 ILE 65 -5.402 0.847 4.435 490 2HG2 ILE 65 2HG2 ILE 65 -4.085 1.979 4.157 491 3HG2 ILE 65 3HG2 ILE 65 -4.019 0.358 3.460 492 1HD1 ILE 65 1HD1 ILE 65 -2.071 -0.948 3.884 493 2HD1 ILE 65 2HD1 ILE 65 -1.542 0.696 3.467 494 3HD1 ILE 65 3HD1 ILE 65 -0.498 -0.415 4.404 495 H ILE 66 H ILE 66 -6.536 2.022 6.233 496 HA ILE 66 HA ILE 66 -7.904 -0.092 7.817 497 HB ILE 66 HB ILE 66 -8.721 2.827 7.587 498 1HG1 ILE 66 2HG1 ILE 66 -8.398 2.391 10.249 499 2HG1 ILE 66 3HG1 ILE 66 -7.167 1.281 9.660 500 1HG2 ILE 66 1HG2 ILE 66 -9.933 0.540 9.196 501 2HG2 ILE 66 2HG2 ILE 66 -10.458 2.233 9.216 502 3HG2 ILE 66 3HG2 ILE 66 -10.657 1.278 7.749 503 1HD1 ILE 66 1HD1 ILE 66 -7.401 4.273 9.083 504 2HD1 ILE 66 2HD1 ILE 66 -6.228 3.485 10.155 505 3HD1 ILE 66 3HD1 ILE 66 -6.128 3.237 8.406 506 HA PRO 67 HA PRO 67 -10.043 -0.529 3.800 507 1HB PRO 67 2HB PRO 67 -11.881 -2.419 4.528 508 2HB PRO 67 3HB PRO 67 -10.170 -2.822 4.257 509 1HG PRO 67 2HG PRO 67 -11.551 -2.324 6.892 510 2HG PRO 67 3HG PRO 67 -10.417 -3.637 6.473 511 1HD PRO 67 2HD PRO 67 -9.668 -1.381 7.800 512 2HD PRO 67 3HD PRO 67 -8.556 -2.199 6.662 513 H GLU 68 H GLU 68 -10.928 1.638 3.818 514 HA GLU 68 HA GLU 68 -12.829 2.700 5.404 515 1HB GLU 68 2HB GLU 68 -11.586 3.638 3.293 516 2HB GLU 68 3HB GLU 68 -12.972 3.028 2.369 517 1HG GLU 68 2HG GLU 68 -14.473 4.308 3.888 518 2HG GLU 68 3HG GLU 68 -13.045 4.907 4.755 519 H LYS 69 H LYS 69 -13.404 0.637 2.582 520 HA LYS 69 HA LYS 69 -14.965 -0.833 2.026 521 1HB LYS 69 2HB LYS 69 -14.644 -1.470 4.432 522 2HB LYS 69 3HB LYS 69 -16.137 -0.632 4.838 523 1HG LYS 69 2HG LYS 69 -16.062 -2.771 2.671 524 2HG LYS 69 3HG LYS 69 -16.062 -3.185 4.392 525 1HD LYS 69 2HD LYS 69 -18.182 -1.867 4.705 526 2HD LYS 69 3HD LYS 69 -18.199 -1.513 2.977 527 1HE LYS 69 2HE LYS 69 -19.721 -3.346 3.446 528 2HE LYS 69 3HE LYS 69 -18.390 -3.906 2.424 529 1HZ LYS 69 1HZ LYS 69 -18.911 -5.440 4.207 530 2HZ LYS 69 2HZ LYS 69 -17.379 -4.874 4.371 531 3HZ LYS 69 3HZ LYS 69 -18.577 -4.299 5.345 532 H GLU 70 H GLU 70 -16.731 1.504 4.101 533 HA GLU 70 HA GLU 70 -17.932 2.872 1.954 534 1HB GLU 70 2HB GLU 70 -19.301 0.745 1.758 535 2HB GLU 70 3HB GLU 70 -19.918 1.037 3.390 536 1HG GLU 70 2HG GLU 70 -20.869 3.209 2.596 537 2HG GLU 70 3HG GLU 70 -20.228 2.881 0.977 538 H ALA 71 H ALA 71 -18.598 1.710 5.332 539 HA ALA 71 HA ALA 71 -18.202 4.242 6.547 540 1HB ALA 71 1HB ALA 71 -21.019 3.044 6.413 541 2HB ALA 71 2HB ALA 71 -20.513 4.378 7.472 542 3HB ALA 71 3HB ALA 71 -20.536 4.605 5.710 Start of MODEL 19 1 1H MET 1 H1 MET 1 -9.080 -8.604 -14.342 2 2H MET 1 H2 MET 1 -9.603 -7.036 -14.381 3 3H MET 1 H3 MET 1 -8.990 -7.686 -12.987 4 HA MET 1 HA MET 1 -11.376 -7.621 -12.817 5 1HB MET 1 2HB MET 1 -11.139 -9.165 -15.417 6 2HB MET 1 3HB MET 1 -12.586 -9.252 -14.406 7 1HG MET 1 2HG MET 1 -13.113 -6.977 -14.698 8 2HG MET 1 3HG MET 1 -11.503 -6.566 -15.307 9 1HE MET 1 1HE MET 1 -12.599 -5.122 -17.176 10 2HE MET 1 2HE MET 1 -13.756 -5.761 -18.366 11 3HE MET 1 3HE MET 1 -14.243 -5.588 -16.665 12 H ALA 2 H ALA 2 -10.994 -8.607 -10.886 13 HA ALA 2 HA ALA 2 -11.084 -11.394 -10.495 14 1HB ALA 2 1HB ALA 2 -8.728 -11.618 -9.524 15 2HB ALA 2 2HB ALA 2 -8.826 -11.591 -11.288 16 3HB ALA 2 3HB ALA 2 -8.313 -10.134 -10.427 17 H GLU 3 H GLU 3 -8.894 -9.542 -8.392 18 HA GLU 3 HA GLU 3 -11.257 -8.487 -6.888 19 1HB GLU 3 2HB GLU 3 -9.864 -10.346 -5.747 20 2HB GLU 3 3HB GLU 3 -8.590 -9.125 -5.604 21 1HG GLU 3 2HG GLU 3 -10.214 -7.652 -4.355 22 2HG GLU 3 3HG GLU 3 -11.452 -8.909 -4.544 23 H LYS 4 H LYS 4 -10.995 -6.375 -6.035 24 HA LYS 4 HA LYS 4 -8.625 -4.863 -6.495 25 1HB LYS 4 2HB LYS 4 -9.594 -3.137 -7.967 26 2HB LYS 4 3HB LYS 4 -9.529 -4.711 -8.766 27 1HG LYS 4 2HG LYS 4 -12.027 -4.967 -7.998 28 2HG LYS 4 3HG LYS 4 -11.937 -3.223 -7.691 29 1HD LYS 4 2HD LYS 4 -11.123 -2.912 -10.055 30 2HD LYS 4 3HD LYS 4 -11.357 -4.652 -10.330 31 1HE LYS 4 2HE LYS 4 -13.756 -4.479 -9.960 32 2HE LYS 4 3HE LYS 4 -13.608 -2.805 -9.400 33 1HZ LYS 4 1HZ LYS 4 -13.046 -3.713 -12.145 34 2HZ LYS 4 2HZ LYS 4 -14.389 -2.906 -11.646 35 3HZ LYS 4 3HZ LYS 4 -12.924 -2.166 -11.595 36 H THR 5 H THR 5 -8.501 -3.178 -4.970 37 HA THR 5 HA THR 5 -10.913 -2.344 -3.564 38 HB THR 5 HB THR 5 -8.865 -4.199 -2.206 39 HG1 THR 5 1HG THR 5 -11.278 -4.344 -3.321 40 1HG2 THR 5 1HG2 THR 5 -11.180 -2.598 -0.991 41 2HG2 THR 5 2HG2 THR 5 -10.336 -3.930 -0.189 42 3HG2 THR 5 3HG2 THR 5 -9.459 -2.441 -0.563 43 H VAL 6 H VAL 6 -10.470 -0.617 -2.144 44 HA VAL 6 HA VAL 6 -7.718 0.111 -2.031 45 HB VAL 6 HB VAL 6 -8.556 1.493 -3.771 46 1HG1 VAL 6 1HG1 VAL 6 -10.511 2.934 -3.672 47 2HG1 VAL 6 2HG1 VAL 6 -10.908 1.220 -3.600 48 3HG1 VAL 6 3HG1 VAL 6 -10.970 2.203 -2.111 49 1HG2 VAL 6 1HG2 VAL 6 -8.402 3.812 -2.960 50 2HG2 VAL 6 2HG2 VAL 6 -8.776 3.288 -1.307 51 3HG2 VAL 6 3HG2 VAL 6 -7.241 2.826 -2.063 52 H TYR 7 H TYR 7 -7.000 1.171 -0.229 53 HA TYR 7 HA TYR 7 -8.843 1.101 2.129 54 1HB TYR 7 2HB TYR 7 -5.927 0.292 2.120 55 2HB TYR 7 3HB TYR 7 -7.135 0.015 3.374 56 HD1 TYR 7 HD1 TYR 7 -8.780 -1.810 3.126 57 HD2 TYR 7 HD2 TYR 7 -5.625 -1.221 0.260 58 HE1 TYR 7 HE1 TYR 7 -8.996 -4.167 2.418 59 HE2 TYR 7 HE2 TYR 7 -5.780 -3.609 -0.390 60 HH TYR 7 HH TYR 7 -8.179 -5.830 0.924 61 H ARG 8 H ARG 8 -8.252 2.704 3.775 62 HA ARG 8 HA ARG 8 -6.702 5.003 2.645 63 1HB ARG 8 2HB ARG 8 -8.666 4.753 4.942 64 2HB ARG 8 3HB ARG 8 -7.479 6.049 4.865 65 1HG ARG 8 2HG ARG 8 -8.497 6.181 2.293 66 2HG ARG 8 3HG ARG 8 -9.872 5.604 3.185 67 1HD ARG 8 2HD ARG 8 -9.906 8.050 3.141 68 2HD ARG 8 3HD ARG 8 -9.570 7.504 4.791 69 HE ARG 8 HE ARG 8 -7.224 7.967 3.027 70 1HH1 ARG 8 2HH2 ARG 8 -9.248 9.521 5.487 71 2HH1 ARG 8 1HH2 ARG 8 -7.875 10.276 6.273 72 1HH2 ARG 8 2HH1 ARG 8 -5.520 8.938 4.000 73 2HH2 ARG 8 1HH1 ARG 8 -5.725 9.715 5.546 74 H VAL 9 H VAL 9 -4.776 5.568 3.421 75 HA VAL 9 HA VAL 9 -3.648 4.146 5.785 76 HB VAL 9 HB VAL 9 -2.356 3.444 3.943 77 1HG1 VAL 9 1HG1 VAL 9 -1.368 4.921 2.249 78 2HG1 VAL 9 2HG1 VAL 9 -3.106 5.039 2.202 79 3HG1 VAL 9 3HG1 VAL 9 -2.158 6.331 2.974 80 1HG2 VAL 9 1HG2 VAL 9 -0.169 4.290 4.506 81 2HG2 VAL 9 2HG2 VAL 9 -0.822 5.821 5.068 82 3HG2 VAL 9 3HG2 VAL 9 -1.131 4.316 5.971 83 H ASP 10 H ASP 10 -2.541 5.470 7.289 84 HA ASP 10 HA ASP 10 -2.173 8.249 6.604 85 1HB ASP 10 2HB ASP 10 -4.475 7.470 8.289 86 2HB ASP 10 3HB ASP 10 -3.342 8.479 9.188 87 H GLY 11 H GLY 11 -0.892 9.334 8.239 88 1HA GLY 11 1HA GLY 11 0.659 9.365 9.988 89 2HA GLY 11 2HA GLY 11 0.612 7.608 10.114 90 H LEU 12 H LEU 12 1.228 9.408 7.035 91 HA LEU 12 HA LEU 12 4.080 9.435 7.391 92 1HB LEU 12 2HB LEU 12 4.457 8.119 5.230 93 2HB LEU 12 3HB LEU 12 4.159 7.256 6.727 94 HG LEU 12 HG LEU 12 1.936 6.650 6.096 95 1HD1 LEU 12 1HD1 LEU 12 1.017 8.581 4.955 96 2HD1 LEU 12 2HD1 LEU 12 2.281 8.500 3.702 97 3HD1 LEU 12 3HD1 LEU 12 1.025 7.248 3.809 98 1HD2 LEU 12 1HD2 LEU 12 2.458 5.223 4.300 99 2HD2 LEU 12 2HD2 LEU 12 3.625 6.371 3.592 100 3HD2 LEU 12 3HD2 LEU 12 4.006 5.510 5.092 101 H SER 13 H SER 13 5.090 10.296 5.262 102 HA SER 13 HA SER 13 3.449 11.728 3.387 103 1HB SER 13 2HB SER 13 2.918 13.155 5.336 104 2HB SER 13 3HB SER 13 4.646 13.322 5.701 105 HG SER 13 HG SER 13 4.888 14.350 3.698 106 H CYS 14 H CYS 14 5.370 10.111 2.590 107 HA CYS 14 HA CYS 14 7.573 11.918 1.755 108 1HB CYS 14 2HB CYS 14 7.903 9.606 3.600 109 2HB CYS 14 3HB CYS 14 8.943 9.545 2.170 110 HG CYS 14 HG CYS 14 9.841 11.984 2.350 111 H THR 15 H THR 15 7.645 11.877 -0.414 112 HA THR 15 HA THR 15 6.379 10.135 -2.100 113 HB THR 15 HB THR 15 9.042 11.520 -2.653 114 HG1 THR 15 1HG THR 15 6.432 12.624 -2.611 115 1HG2 THR 15 1HG2 THR 15 6.596 10.978 -4.405 116 2HG2 THR 15 2HG2 THR 15 8.031 11.909 -4.882 117 3HG2 THR 15 3HG2 THR 15 8.175 10.176 -4.534 118 H ASN 16 H ASN 16 9.861 9.933 -1.078 119 HA ASN 16 HA ASN 16 10.538 7.640 -2.436 120 1HB ASN 16 2HB ASN 16 11.442 8.510 0.338 121 2HB ASN 16 3HB ASN 16 12.245 7.282 -0.651 122 1HD2 ASN 16 1HD2 ASN 16 13.782 7.984 -2.166 123 2HD2 ASN 16 2HD2 ASN 16 13.992 9.671 -2.595 124 H CYS 17 H CYS 17 8.890 7.901 0.740 125 HA CYS 17 HA CYS 17 8.901 5.075 1.287 126 1HB CYS 17 2HB CYS 17 7.154 7.312 2.417 127 2HB CYS 17 3HB CYS 17 7.100 5.607 2.885 128 HG CYS 17 HG CYS 17 8.511 6.576 4.752 129 H ALA 18 H ALA 18 6.478 7.316 -0.143 130 HA ALA 18 HA ALA 18 4.454 5.422 -0.629 131 1HB ALA 18 1HB ALA 18 5.225 7.824 -2.357 132 2HB ALA 18 2HB ALA 18 3.669 6.987 -2.367 133 3HB ALA 18 3HB ALA 18 4.187 7.883 -0.920 134 H ALA 19 H ALA 19 7.240 6.314 -2.631 135 HA ALA 19 HA ALA 19 6.554 4.669 -4.886 136 1HB ALA 19 1HB ALA 19 8.862 5.114 -5.623 137 2HB ALA 19 2HB ALA 19 8.066 6.596 -5.056 138 3HB ALA 19 3HB ALA 19 9.260 5.781 -4.024 139 H LYS 20 H LYS 20 8.864 4.214 -2.171 140 HA LYS 20 HA LYS 20 9.710 1.584 -2.772 141 1HB LYS 20 2HB LYS 20 10.799 2.874 -1.096 142 2HB LYS 20 3HB LYS 20 9.317 3.060 -0.144 143 1HG LYS 20 2HG LYS 20 9.314 0.797 0.555 144 2HG LYS 20 3HG LYS 20 10.514 0.299 -0.645 145 1HD LYS 20 2HD LYS 20 12.263 1.575 0.438 146 2HD LYS 20 3HD LYS 20 11.088 2.417 1.474 147 1HE LYS 20 2HE LYS 20 10.517 0.311 2.599 148 2HE LYS 20 3HE LYS 20 11.670 -0.583 1.600 149 1HZ LYS 20 1HZ LYS 20 12.543 -0.002 3.771 150 2HZ LYS 20 2HZ LYS 20 13.425 0.730 2.592 151 3HZ LYS 20 3HZ LYS 20 12.337 1.601 3.474 152 H PHE 21 H PHE 21 6.873 2.720 -0.876 153 HA PHE 21 HA PHE 21 5.747 0.224 -0.296 154 1HB PHE 21 2HB PHE 21 4.786 3.011 -0.352 155 2HB PHE 21 3HB PHE 21 3.572 1.889 -0.862 156 HD1 PHE 21 1HD PHE 21 4.511 3.593 1.886 157 HD2 PHE 21 2HD PHE 21 3.551 -0.422 0.631 158 HE1 PHE 21 1HE PHE 21 3.569 3.122 4.100 159 HE2 PHE 21 2HE PHE 21 2.637 -0.897 2.883 160 HZ PHE 21 HZ PHE 21 2.498 0.917 4.566 161 H GLU 22 H GLU 22 5.017 2.319 -3.207 162 HA GLU 22 HA GLU 22 3.186 0.487 -4.266 163 1HB GLU 22 2HB GLU 22 2.996 1.803 -6.081 164 2HB GLU 22 3HB GLU 22 3.835 2.960 -5.025 165 1HG GLU 22 2HG GLU 22 5.853 2.720 -6.145 166 2HG GLU 22 3HG GLU 22 5.288 1.355 -7.135 167 H ARG 23 H ARG 23 6.711 0.740 -4.809 168 HA ARG 23 HA ARG 23 6.916 -1.404 -6.683 169 1HB ARG 23 2HB ARG 23 8.745 0.317 -5.946 170 2HB ARG 23 3HB ARG 23 9.062 -0.794 -4.604 171 1HG ARG 23 2HG ARG 23 9.202 -2.637 -6.519 172 2HG ARG 23 3HG ARG 23 9.323 -1.240 -7.593 173 1HD ARG 23 2HD ARG 23 11.554 -1.755 -7.180 174 2HD ARG 23 3HD ARG 23 11.237 -0.453 -6.012 175 HE ARG 23 HE ARG 23 10.840 -3.267 -5.058 176 1HH1 ARG 23 2HH2 ARG 23 13.223 -0.679 -5.353 177 2HH1 ARG 23 1HH2 ARG 23 14.301 -1.376 -4.178 178 1HH2 ARG 23 2HH1 ARG 23 12.147 -4.179 -3.694 179 2HH2 ARG 23 1HH1 ARG 23 13.672 -3.489 -3.137 180 H ASN 24 H ASN 24 7.317 -1.385 -3.098 181 HA ASN 24 HA ASN 24 7.734 -4.089 -2.597 182 1HB ASN 24 2HB ASN 24 6.519 -1.815 -1.073 183 2HB ASN 24 3HB ASN 24 6.022 -3.409 -0.558 184 1HD2 ASN 24 1HD2 ASN 24 7.670 -4.966 0.088 185 2HD2 ASN 24 2HD2 ASN 24 9.107 -4.345 0.865 186 H VAL 25 H VAL 25 4.567 -2.435 -3.042 187 HA VAL 25 HA VAL 25 3.007 -4.858 -2.845 188 HB VAL 25 HB VAL 25 2.358 -2.248 -4.306 189 1HG1 VAL 25 1HG1 VAL 25 0.894 -4.029 -5.085 190 2HG1 VAL 25 2HG1 VAL 25 0.609 -4.587 -3.419 191 3HG1 VAL 25 3HG1 VAL 25 -0.001 -3.011 -3.949 192 1HG2 VAL 25 1HG2 VAL 25 1.804 -3.237 -1.493 193 2HG2 VAL 25 2HG2 VAL 25 2.712 -1.796 -1.923 194 3HG2 VAL 25 3HG2 VAL 25 0.976 -1.838 -2.217 195 H LYS 26 H LYS 26 4.304 -3.127 -5.743 196 HA LYS 26 HA LYS 26 3.405 -4.999 -7.648 197 1HB LYS 26 2HB LYS 26 5.619 -2.965 -7.470 198 2HB LYS 26 3HB LYS 26 5.517 -3.978 -8.889 199 1HG LYS 26 2HG LYS 26 3.372 -3.211 -9.444 200 2HG LYS 26 3HG LYS 26 3.039 -2.552 -7.831 201 1HD LYS 26 2HD LYS 26 4.474 -0.706 -8.129 202 2HD LYS 26 3HD LYS 26 5.264 -1.438 -9.535 203 1HE LYS 26 2HE LYS 26 3.165 -1.231 -10.852 204 2HE LYS 26 3HE LYS 26 2.304 -0.623 -9.424 205 1HZ LYS 26 1HZ LYS 26 3.666 1.338 -9.470 206 2HZ LYS 26 2HZ LYS 26 4.533 0.793 -10.740 207 3HZ LYS 26 3HZ LYS 26 2.935 1.149 -10.904 208 H GLU 27 H GLU 27 6.252 -5.257 -5.485 209 HA GLU 27 HA GLU 27 7.302 -7.569 -6.843 210 1HB GLU 27 2HB GLU 27 7.744 -6.804 -3.934 211 2HB GLU 27 3HB GLU 27 8.706 -7.893 -4.944 212 1HG GLU 27 2HG GLU 27 8.925 -5.761 -6.530 213 2HG GLU 27 3HG GLU 27 8.509 -4.899 -5.039 214 H ILE 28 H ILE 28 4.439 -7.279 -4.899 215 HA ILE 28 HA ILE 28 4.559 -9.931 -3.738 216 HB ILE 28 HB ILE 28 2.228 -8.157 -4.263 217 1HG1 ILE 28 2HG1 ILE 28 3.713 -8.590 -1.626 218 2HG1 ILE 28 3HG1 ILE 28 3.962 -7.202 -2.684 219 1HG2 ILE 28 1HG2 ILE 28 0.978 -9.516 -2.636 220 2HG2 ILE 28 2HG2 ILE 28 1.522 -10.522 -3.957 221 3HG2 ILE 28 3HG2 ILE 28 2.395 -10.565 -2.413 222 1HD1 ILE 28 1HD1 ILE 28 1.381 -7.877 -1.238 223 2HD1 ILE 28 2HD1 ILE 28 2.464 -6.512 -0.952 224 3HD1 ILE 28 3HD1 ILE 28 1.536 -6.615 -2.465 225 H GLU 29 H GLU 29 4.470 -11.655 -4.876 226 HA GLU 29 HA GLU 29 3.499 -12.043 -7.552 227 1HB GLU 29 2HB GLU 29 4.339 -13.784 -5.193 228 2HB GLU 29 3HB GLU 29 3.751 -14.485 -6.680 229 1HG GLU 29 2HG GLU 29 6.025 -12.498 -6.859 230 2HG GLU 29 3HG GLU 29 6.343 -14.153 -6.321 231 H GLY 30 H GLY 30 1.410 -11.345 -7.648 232 1HA GLY 30 1HA GLY 30 -0.723 -13.012 -7.434 233 2HA GLY 30 2HA GLY 30 -0.665 -12.329 -5.797 234 H VAL 31 H VAL 31 0.361 -9.656 -6.659 235 HA VAL 31 HA VAL 31 -2.271 -8.605 -7.335 236 HB VAL 31 HB VAL 31 -0.799 -7.719 -5.517 237 1HG1 VAL 31 1HG1 VAL 31 0.894 -6.093 -6.080 238 2HG1 VAL 31 2HG1 VAL 31 1.370 -7.673 -6.710 239 3HG1 VAL 31 3HG1 VAL 31 0.745 -6.432 -7.815 240 1HG2 VAL 31 1HG2 VAL 31 -1.463 -5.449 -5.872 241 2HG2 VAL 31 2HG2 VAL 31 -1.565 -5.705 -7.626 242 3HG2 VAL 31 3HG2 VAL 31 -2.714 -6.528 -6.537 243 H THR 32 H THR 32 -2.552 -7.038 -9.104 244 HA THR 32 HA THR 32 -0.862 -7.649 -11.499 245 HB THR 32 HB THR 32 -3.802 -6.858 -11.413 246 HG1 THR 32 1HG THR 32 -2.622 -9.209 -11.019 247 1HG2 THR 32 1HG2 THR 32 -2.671 -6.126 -13.481 248 2HG2 THR 32 2HG2 THR 32 -1.977 -7.746 -13.695 249 3HG2 THR 32 3HG2 THR 32 -3.732 -7.506 -13.811 250 H GLU 33 H GLU 33 -3.065 -5.172 -10.055 251 HA GLU 33 HA GLU 33 -0.916 -3.146 -10.722 252 1HB GLU 33 2HB GLU 33 -3.902 -2.640 -11.033 253 2HB GLU 33 3HB GLU 33 -2.601 -1.458 -11.181 254 1HG GLU 33 2HG GLU 33 -1.641 -2.880 -13.043 255 2HG GLU 33 3HG GLU 33 -3.125 -3.848 -12.979 256 H ALA 34 H ALA 34 -0.810 -1.300 -9.327 257 HA ALA 34 HA ALA 34 -2.598 -1.245 -7.052 258 1HB ALA 34 1HB ALA 34 -0.772 -1.087 -5.376 259 2HB ALA 34 2HB ALA 34 -0.801 -2.679 -6.166 260 3HB ALA 34 3HB ALA 34 0.425 -1.477 -6.633 261 H ILE 35 H ILE 35 -2.943 0.900 -6.469 262 HA ILE 35 HA ILE 35 -1.275 2.965 -7.887 263 HB ILE 35 HB ILE 35 -4.309 2.954 -7.658 264 1HG1 ILE 35 2HG1 ILE 35 -2.768 2.922 -10.263 265 2HG1 ILE 35 3HG1 ILE 35 -3.193 1.403 -9.472 266 1HG2 ILE 35 1HG2 ILE 35 -2.366 4.941 -8.906 267 2HG2 ILE 35 2HG2 ILE 35 -4.134 5.039 -9.009 268 3HG2 ILE 35 3HG2 ILE 35 -3.338 5.202 -7.444 269 1HD1 ILE 35 1HD1 ILE 35 -5.560 1.959 -9.466 270 2HD1 ILE 35 2HD1 ILE 35 -5.229 3.507 -10.274 271 3HD1 ILE 35 3HD1 ILE 35 -4.888 1.978 -11.106 272 H VAL 36 H VAL 36 -0.154 3.686 -6.081 273 HA VAL 36 HA VAL 36 -1.735 3.921 -3.572 274 HB VAL 36 HB VAL 36 0.044 3.155 -2.416 275 1HG1 VAL 36 1HG1 VAL 36 0.456 1.550 -4.972 276 2HG1 VAL 36 2HG1 VAL 36 0.545 0.991 -3.297 277 3HG1 VAL 36 3HG1 VAL 36 -1.024 1.412 -4.020 278 1HG2 VAL 36 1HG2 VAL 36 2.329 2.802 -3.365 279 2HG2 VAL 36 2HG2 VAL 36 1.773 3.590 -4.874 280 3HG2 VAL 36 3HG2 VAL 36 1.894 4.515 -3.375 281 H ASN 37 H ASN 37 -1.881 5.833 -2.529 282 HA ASN 37 HA ASN 37 -0.403 8.135 -3.707 283 1HB ASN 37 2HB ASN 37 -2.510 8.008 -1.532 284 2HB ASN 37 3HB ASN 37 -1.798 9.471 -2.220 285 1HD2 ASN 37 1HD2 ASN 37 -3.816 6.605 -3.021 286 2HD2 ASN 37 2HD2 ASN 37 -4.570 7.352 -4.427 287 H PHE 38 H PHE 38 -0.914 6.564 -0.526 288 HA PHE 38 HA PHE 38 0.130 6.840 1.476 289 1HB PHE 38 2HB PHE 38 2.380 6.334 -0.465 290 2HB PHE 38 3HB PHE 38 2.686 6.431 1.266 291 HD1 PHE 38 1HD PHE 38 2.098 4.088 -1.246 292 HD2 PHE 38 2HD PHE 38 1.003 5.063 2.768 293 HE1 PHE 38 1HE PHE 38 1.242 1.770 -0.915 294 HE2 PHE 38 2HE PHE 38 0.411 2.695 3.183 295 HZ PHE 38 HZ PHE 38 0.468 1.056 1.332 296 H GLY 39 H GLY 39 -0.747 9.154 1.052 297 1HA GLY 39 1HA GLY 39 1.071 10.756 2.565 298 2HA GLY 39 2HA GLY 39 0.942 11.367 0.896 299 H ALA 40 H ALA 40 -1.082 10.212 3.604 300 HA ALA 40 HA ALA 40 -3.002 10.937 4.566 301 1HB ALA 40 1HB ALA 40 -1.829 13.134 4.720 302 2HB ALA 40 2HB ALA 40 -2.529 13.605 3.156 303 3HB ALA 40 3HB ALA 40 -3.586 13.287 4.538 304 H SER 41 H SER 41 -3.335 9.276 2.587 305 HA SER 41 HA SER 41 -5.763 10.099 1.212 306 1HB SER 41 2HB SER 41 -3.151 9.779 -0.274 307 2HB SER 41 3HB SER 41 -4.723 9.552 -1.094 308 HG SER 41 HG SER 41 -4.249 11.876 0.403 309 H LYS 42 H LYS 42 -4.290 7.618 -0.607 310 HA LYS 42 HA LYS 42 -5.172 5.448 1.082 311 1HB LYS 42 2HB LYS 42 -7.049 4.800 -0.421 312 2HB LYS 42 3HB LYS 42 -7.289 6.287 0.480 313 1HG LYS 42 2HG LYS 42 -6.344 7.333 -1.868 314 2HG LYS 42 3HG LYS 42 -7.135 5.879 -2.464 315 1HD LYS 42 2HD LYS 42 -8.343 8.006 -0.637 316 2HD LYS 42 3HD LYS 42 -8.620 7.881 -2.377 317 1HE LYS 42 2HE LYS 42 -9.935 5.931 -2.197 318 2HE LYS 42 3HE LYS 42 -9.324 5.504 -0.596 319 1HZ LYS 42 1HZ LYS 42 -11.098 7.817 -0.993 320 2HZ LYS 42 2HZ LYS 42 -11.595 6.303 -0.582 321 3HZ LYS 42 3HZ LYS 42 -10.713 7.054 0.445 322 H ILE 43 H ILE 43 -5.192 3.379 -0.068 323 HA ILE 43 HA ILE 43 -3.128 3.186 -2.192 324 HB ILE 43 HB ILE 43 -1.947 2.774 -0.252 325 1HG1 ILE 43 2HG1 ILE 43 -1.684 0.972 -2.022 326 2HG1 ILE 43 3HG1 ILE 43 -1.071 0.648 -0.417 327 1HG2 ILE 43 1HG2 ILE 43 -4.236 1.121 0.819 328 2HG2 ILE 43 2HG2 ILE 43 -2.605 1.153 1.512 329 3HG2 ILE 43 3HG2 ILE 43 -3.569 2.632 1.469 330 1HD1 ILE 43 1HD1 ILE 43 -3.589 -0.564 -1.580 331 2HD1 ILE 43 2HD1 ILE 43 -2.039 -1.330 -1.212 332 3HD1 ILE 43 3HD1 ILE 43 -3.052 -0.757 0.105 333 H THR 44 H THR 44 -4.043 2.303 -3.949 334 HA THR 44 HA THR 44 -6.315 0.420 -3.632 335 HB THR 44 HB THR 44 -5.252 1.764 -6.121 336 HG1 THR 44 1HG THR 44 -6.614 2.659 -4.135 337 1HG2 THR 44 1HG2 THR 44 -7.811 0.182 -5.647 338 2HG2 THR 44 2HG2 THR 44 -7.423 1.110 -7.106 339 3HG2 THR 44 3HG2 THR 44 -6.456 -0.309 -6.684 340 H VAL 45 H VAL 45 -6.127 -1.640 -4.201 341 HA VAL 45 HA VAL 45 -3.647 -2.690 -5.469 342 HB VAL 45 HB VAL 45 -5.149 -3.527 -2.998 343 1HG1 VAL 45 1HG1 VAL 45 -4.115 -5.798 -3.144 344 2HG1 VAL 45 2HG1 VAL 45 -5.417 -5.559 -4.320 345 3HG1 VAL 45 3HG1 VAL 45 -3.718 -5.480 -4.838 346 1HG2 VAL 45 1HG2 VAL 45 -2.217 -3.798 -3.758 347 2HG2 VAL 45 2HG2 VAL 45 -2.903 -2.342 -3.022 348 3HG2 VAL 45 3HG2 VAL 45 -2.929 -3.881 -2.131 349 H THR 46 H THR 46 -4.088 -4.129 -7.148 350 HA THR 46 HA THR 46 -6.831 -5.053 -7.594 351 HB THR 46 HB THR 46 -5.219 -3.234 -9.423 352 HG1 THR 46 1HG THR 46 -7.125 -3.073 -7.713 353 1HG2 THR 46 1HG2 THR 46 -7.632 -4.970 -10.151 354 2HG2 THR 46 2HG2 THR 46 -7.023 -3.609 -11.122 355 3HG2 THR 46 3HG2 THR 46 -6.015 -5.045 -10.893 356 H GLY 47 H GLY 47 -6.759 -7.070 -8.171 357 1HA GLY 47 1HA GLY 47 -5.290 -8.303 -10.015 358 2HA GLY 47 2HA GLY 47 -4.110 -8.245 -8.738 359 H GLU 48 H GLU 48 -4.208 -9.451 -6.975 360 HA GLU 48 HA GLU 48 -6.554 -10.714 -5.882 361 1HB GLU 48 2HB GLU 48 -5.789 -12.138 -7.965 362 2HB GLU 48 3HB GLU 48 -4.467 -12.668 -6.927 363 1HG GLU 48 2HG GLU 48 -6.161 -13.510 -5.290 364 2HG GLU 48 3HG GLU 48 -7.460 -12.901 -6.337 365 H ALA 49 H ALA 49 -5.130 -8.921 -4.573 366 HA ALA 49 HA ALA 49 -3.842 -10.494 -2.460 367 1HB ALA 49 1HB ALA 49 -2.535 -8.084 -3.809 368 2HB ALA 49 2HB ALA 49 -1.984 -8.806 -2.287 369 3HB ALA 49 3HB ALA 49 -1.909 -9.750 -3.788 370 H SER 50 H SER 50 -3.674 -9.132 -0.459 371 HA SER 50 HA SER 50 -5.793 -7.024 -0.326 372 1HB SER 50 2HB SER 50 -5.319 -9.349 1.591 373 2HB SER 50 3HB SER 50 -6.513 -8.068 1.801 374 HG SER 50 HG SER 50 -7.302 -8.877 -0.396 375 H ILE 51 H ILE 51 -5.646 -5.669 1.635 376 HA ILE 51 HA ILE 51 -3.255 -4.431 1.834 377 HB ILE 51 HB ILE 51 -5.449 -3.600 2.878 378 1HG1 ILE 51 2HG1 ILE 51 -3.569 -2.199 2.711 379 2HG1 ILE 51 3HG1 ILE 51 -4.462 -2.003 4.212 380 1HG2 ILE 51 1HG2 ILE 51 -4.281 -4.783 5.430 381 2HG2 ILE 51 2HG2 ILE 51 -5.704 -3.757 5.262 382 3HG2 ILE 51 3HG2 ILE 51 -5.726 -5.397 4.589 383 1HD1 ILE 51 1HD1 ILE 51 -2.593 -3.555 5.256 384 2HD1 ILE 51 2HD1 ILE 51 -1.683 -3.096 3.795 385 3HD1 ILE 51 3HD1 ILE 51 -2.214 -1.898 4.934 386 H GLN 52 H GLN 52 -4.191 -7.048 4.114 387 HA GLN 52 HA GLN 52 -2.279 -7.180 5.965 388 1HB GLN 52 2HB GLN 52 -3.203 -9.406 4.104 389 2HB GLN 52 3HB GLN 52 -2.224 -9.724 5.534 390 1HG GLN 52 2HG GLN 52 -4.931 -8.315 5.627 391 2HG GLN 52 3HG GLN 52 -4.693 -10.052 5.846 392 1HE2 GLN 52 1HE2 GLN 52 -5.934 -8.717 7.893 393 2HE2 GLN 52 2HE2 GLN 52 -4.819 -8.582 9.242 394 H GLN 53 H GLN 53 -1.626 -8.169 2.602 395 HA GLN 53 HA GLN 53 1.104 -9.024 3.089 396 1HB GLN 53 2HB GLN 53 -0.342 -8.249 0.546 397 2HB GLN 53 3HB GLN 53 1.212 -9.109 0.643 398 1HG GLN 53 2HG GLN 53 0.223 -11.061 1.564 399 2HG GLN 53 3HG GLN 53 -1.267 -10.240 2.019 400 1HE2 GLN 53 1HE2 GLN 53 0.571 -11.405 -0.812 401 2HE2 GLN 53 2HE2 GLN 53 -0.839 -11.470 -1.848 402 H VAL 54 H VAL 54 -0.437 -6.045 1.945 403 HA VAL 54 HA VAL 54 2.001 -4.577 1.388 404 HB VAL 54 HB VAL 54 -0.850 -3.535 1.769 405 1HG1 VAL 54 1HG1 VAL 54 0.649 -1.730 1.916 406 2HG1 VAL 54 2HG1 VAL 54 1.654 -2.325 0.583 407 3HG1 VAL 54 3HG1 VAL 54 0.013 -1.710 0.272 408 1HG2 VAL 54 1HG2 VAL 54 0.510 -4.759 -0.638 409 2HG2 VAL 54 2HG2 VAL 54 -1.064 -5.140 0.064 410 3HG2 VAL 54 3HG2 VAL 54 -0.840 -3.608 -0.783 411 H GLU 55 H GLU 55 -0.156 -5.095 4.155 412 HA GLU 55 HA GLU 55 0.669 -3.035 5.844 413 1HB GLU 55 2HB GLU 55 -1.174 -4.943 6.120 414 2HB GLU 55 3HB GLU 55 0.098 -5.730 7.048 415 1HG GLU 55 2HG GLU 55 -0.985 -2.923 7.538 416 2HG GLU 55 3HG GLU 55 -1.315 -4.370 8.504 417 H GLN 56 H GLN 56 1.694 -6.451 5.566 418 HA GLN 56 HA GLN 56 3.896 -6.461 7.239 419 1HB GLN 56 2HB GLN 56 2.796 -8.407 6.189 420 2HB GLN 56 3HB GLN 56 3.612 -8.075 4.660 421 1HG GLN 56 2HG GLN 56 5.277 -8.358 7.181 422 2HG GLN 56 3HG GLN 56 4.527 -9.796 6.484 423 1HE2 GLN 56 1HE2 GLN 56 6.582 -10.738 6.000 424 2HE2 GLN 56 2HE2 GLN 56 7.520 -10.134 4.643 425 H ALA 57 H ALA 57 3.929 -5.611 3.701 426 HA ALA 57 HA ALA 57 6.661 -4.868 3.623 427 1HB ALA 57 1HB ALA 57 6.037 -3.390 1.768 428 2HB ALA 57 2HB ALA 57 5.311 -5.007 1.600 429 3HB ALA 57 3HB ALA 57 4.320 -3.626 2.119 430 H GLY 58 H GLY 58 3.784 -2.833 4.519 431 1HA GLY 58 1HA GLY 58 5.089 -0.384 4.852 432 2HA GLY 58 2HA GLY 58 3.561 -0.920 5.598 433 H ALA 59 H ALA 59 4.984 -3.241 6.944 434 HA ALA 59 HA ALA 59 5.729 -2.260 9.401 435 1HB ALA 59 1HB ALA 59 7.147 -4.595 8.086 436 2HB ALA 59 2HB ALA 59 6.892 -4.306 9.810 437 3HB ALA 59 3HB ALA 59 5.501 -4.685 8.775 438 H PHE 60 H PHE 60 7.688 -1.921 6.437 439 HA PHE 60 HA PHE 60 10.169 -1.403 7.687 440 1HB PHE 60 2HB PHE 60 10.827 -0.179 5.803 441 2HB PHE 60 3HB PHE 60 9.915 -1.586 5.277 442 HD1 PHE 60 1HD PHE 60 9.747 2.140 5.742 443 HD2 PHE 60 2HD PHE 60 8.267 -1.273 3.575 444 HE1 PHE 60 1HE PHE 60 8.354 3.630 4.340 445 HE2 PHE 60 2HE PHE 60 6.850 0.210 2.197 446 HZ PHE 60 HZ PHE 60 6.912 2.660 2.538 447 H GLU 61 H GLU 61 7.302 0.618 7.565 448 HA GLU 61 HA GLU 61 8.628 2.655 9.320 449 1HB GLU 61 2HB GLU 61 8.491 3.406 7.068 450 2HB GLU 61 3HB GLU 61 6.779 3.031 6.943 451 1HG GLU 61 2HG GLU 61 6.282 4.912 8.451 452 2HG GLU 61 3HG GLU 61 8.016 5.149 8.750 453 H HIS 62 H HIS 62 6.006 0.441 9.023 454 HA HIS 62 HA HIS 62 4.598 -0.308 10.587 455 1HB HIS 62 2HB HIS 62 5.305 1.915 12.514 456 2HB HIS 62 3HB HIS 62 4.681 0.307 12.852 457 HD1 HIS 62 1HD HIS 62 7.187 -1.136 11.047 458 HD2 HIS 62 2HD HIS 62 7.365 1.783 14.081 459 HE1 HIS 62 1HE HIS 62 9.471 -1.326 12.099 460 H LEU 63 H LEU 63 3.226 0.764 8.671 461 HA LEU 63 HA LEU 63 1.846 3.231 9.573 462 1HB LEU 63 2HB LEU 63 1.566 1.571 7.037 463 2HB LEU 63 3HB LEU 63 0.746 3.095 7.362 464 HG LEU 63 HG LEU 63 2.471 3.686 6.028 465 1HD1 LEU 63 1HD1 LEU 63 3.913 5.159 7.337 466 2HD1 LEU 63 2HD1 LEU 63 2.272 5.179 8.020 467 3HD1 LEU 63 3HD1 LEU 63 3.592 4.277 8.810 468 1HD2 LEU 63 1HD2 LEU 63 4.740 3.090 6.102 469 2HD2 LEU 63 2HD2 LEU 63 4.614 2.376 7.711 470 3HD2 LEU 63 3HD2 LEU 63 3.858 1.566 6.328 471 H LYS 64 H LYS 64 -0.667 3.249 8.871 472 HA LYS 64 HA LYS 64 -1.982 0.852 9.979 473 1HB LYS 64 2HB LYS 64 -3.462 2.377 11.311 474 2HB LYS 64 3HB LYS 64 -1.824 2.123 11.906 475 1HG LYS 64 2HG LYS 64 -1.758 4.349 12.214 476 2HG LYS 64 3HG LYS 64 -1.366 4.419 10.524 477 1HD LYS 64 2HD LYS 64 -3.057 5.840 10.382 478 2HD LYS 64 3HD LYS 64 -4.071 4.418 10.262 479 1HE LYS 64 2HE LYS 64 -3.428 6.017 12.803 480 2HE LYS 64 3HE LYS 64 -4.973 6.008 11.943 481 1HZ LYS 64 1HZ LYS 64 -5.223 3.697 12.514 482 2HZ LYS 64 2HZ LYS 64 -3.760 3.668 13.263 483 3HZ LYS 64 3HZ LYS 64 -4.983 4.578 13.882 484 H ILE 65 H ILE 65 -3.123 0.201 8.292 485 HA ILE 65 HA ILE 65 -4.389 2.222 6.547 486 HB ILE 65 HB ILE 65 -3.732 -0.536 5.640 487 1HG1 ILE 65 2HG1 ILE 65 -1.761 1.697 5.877 488 2HG1 ILE 65 3HG1 ILE 65 -1.602 -0.060 6.120 489 1HG2 ILE 65 1HG2 ILE 65 -3.939 0.374 3.421 490 2HG2 ILE 65 2HG2 ILE 65 -5.327 0.891 4.382 491 3HG2 ILE 65 3HG2 ILE 65 -4.022 2.030 4.053 492 1HD1 ILE 65 1HD1 ILE 65 -1.611 1.448 3.492 493 2HD1 ILE 65 2HD1 ILE 65 -0.287 0.547 4.231 494 3HD1 ILE 65 3HD1 ILE 65 -1.686 -0.312 3.578 495 H ILE 66 H ILE 66 -6.594 1.949 6.200 496 HA ILE 66 HA ILE 66 -7.937 -0.258 7.684 497 HB ILE 66 HB ILE 66 -8.424 2.732 7.772 498 1HG1 ILE 66 2HG1 ILE 66 -7.935 0.870 10.133 499 2HG1 ILE 66 3HG1 ILE 66 -6.584 1.592 9.266 500 1HG2 ILE 66 1HG2 ILE 66 -10.086 0.523 9.069 501 2HG2 ILE 66 2HG2 ILE 66 -10.301 2.258 9.321 502 3HG2 ILE 66 3HG2 ILE 66 -10.618 1.571 7.736 503 1HD1 ILE 66 1HD1 ILE 66 -8.755 3.199 10.636 504 2HD1 ILE 66 2HD1 ILE 66 -7.095 2.932 11.191 505 3HD1 ILE 66 3HD1 ILE 66 -7.388 3.847 9.700 506 HA PRO 67 HA PRO 67 -10.324 -0.343 3.822 507 1HB PRO 67 2HB PRO 67 -12.312 -2.078 4.538 508 2HB PRO 67 3HB PRO 67 -10.638 -2.602 4.231 509 1HG PRO 67 2HG PRO 67 -11.913 -2.014 6.905 510 2HG PRO 67 3HG PRO 67 -10.944 -3.443 6.438 511 1HD PRO 67 2HD PRO 67 -9.864 -1.354 7.770 512 2HD PRO 67 3HD PRO 67 -8.928 -2.201 6.507 513 H GLU 68 H GLU 68 -10.814 1.900 4.014 514 HA GLU 68 HA GLU 68 -12.937 3.110 5.310 515 1HB GLU 68 2HB GLU 68 -10.986 3.984 3.902 516 2HB GLU 68 3HB GLU 68 -11.975 3.684 2.463 517 1HG GLU 68 2HG GLU 68 -13.753 5.151 3.677 518 2HG GLU 68 3HG GLU 68 -12.431 5.559 4.775 519 H LYS 69 H LYS 69 -14.664 1.437 5.295 520 HA LYS 69 HA LYS 69 -16.487 1.790 2.981 521 1HB LYS 69 2HB LYS 69 -15.117 -0.116 2.427 522 2HB LYS 69 3HB LYS 69 -15.434 -0.893 3.972 523 1HG LYS 69 2HG LYS 69 -17.674 -0.220 2.001 524 2HG LYS 69 3HG LYS 69 -16.647 -1.652 1.823 525 1HD LYS 69 2HD LYS 69 -17.309 -2.082 4.372 526 2HD LYS 69 3HD LYS 69 -18.701 -1.081 3.968 527 1HE LYS 69 2HE LYS 69 -17.827 -3.623 2.496 528 2HE LYS 69 3HE LYS 69 -19.113 -3.519 3.708 529 1HZ LYS 69 1HZ LYS 69 -20.016 -3.437 1.492 530 2HZ LYS 69 2HZ LYS 69 -20.308 -2.045 2.299 531 3HZ LYS 69 3HZ LYS 69 -19.160 -2.066 1.147 532 H GLU 70 H GLU 70 -18.039 2.818 4.102 533 HA GLU 70 HA GLU 70 -19.777 3.197 5.477 534 1HB GLU 70 2HB GLU 70 -19.916 0.163 5.566 535 2HB GLU 70 3HB GLU 70 -21.218 1.283 5.971 536 1HG GLU 70 2HG GLU 70 -21.259 2.179 3.693 537 2HG GLU 70 3HG GLU 70 -19.886 1.170 3.216 538 H ALA 71 H ALA 71 -18.242 4.194 6.996 539 HA ALA 71 HA ALA 71 -18.545 3.194 9.667 540 1HB ALA 71 1HB ALA 71 -16.120 3.477 10.161 541 2HB ALA 71 2HB ALA 71 -16.372 2.132 9.023 542 3HB ALA 71 3HB ALA 71 -15.789 3.706 8.431 Start of MODEL 20 1 1H MET 1 H1 MET 1 -11.271 -13.281 -8.931 2 2H MET 1 H2 MET 1 -12.532 -14.372 -8.993 3 3H MET 1 H3 MET 1 -12.805 -12.730 -8.838 4 HA MET 1 HA MET 1 -13.039 -13.514 -6.665 5 1HB MET 1 2HB MET 1 -10.769 -15.232 -7.577 6 2HB MET 1 3HB MET 1 -10.692 -14.734 -5.895 7 1HG MET 1 2HG MET 1 -13.308 -15.900 -6.820 8 2HG MET 1 3HG MET 1 -11.897 -16.953 -6.811 9 1HE MET 1 1HE MET 1 -13.644 -15.119 -2.967 10 2HE MET 1 2HE MET 1 -12.936 -14.085 -4.220 11 3HE MET 1 3HE MET 1 -14.432 -14.995 -4.558 12 H ALA 2 H ALA 2 -11.743 -12.592 -4.791 13 HA ALA 2 HA ALA 2 -11.134 -10.508 -4.017 14 1HB ALA 2 1HB ALA 2 -9.412 -12.122 -3.462 15 2HB ALA 2 2HB ALA 2 -8.573 -11.793 -4.986 16 3HB ALA 2 3HB ALA 2 -8.688 -10.525 -3.750 17 H GLU 3 H GLU 3 -12.331 -9.443 -5.846 18 HA GLU 3 HA GLU 3 -10.983 -8.124 -7.962 19 1HB GLU 3 2HB GLU 3 -13.560 -7.706 -6.415 20 2HB GLU 3 3HB GLU 3 -13.062 -6.479 -7.569 21 1HG GLU 3 2HG GLU 3 -13.001 -8.030 -9.396 22 2HG GLU 3 3HG GLU 3 -13.268 -9.414 -8.321 23 H LYS 4 H LYS 4 -11.152 -5.626 -7.977 24 HA LYS 4 HA LYS 4 -8.838 -4.876 -6.499 25 1HB LYS 4 2HB LYS 4 -9.114 -2.705 -7.706 26 2HB LYS 4 3HB LYS 4 -9.186 -4.138 -8.748 27 1HG LYS 4 2HG LYS 4 -11.799 -3.864 -8.540 28 2HG LYS 4 3HG LYS 4 -11.428 -2.259 -7.913 29 1HD LYS 4 2HD LYS 4 -10.207 -1.704 -9.974 30 2HD LYS 4 3HD LYS 4 -10.343 -3.382 -10.538 31 1HE LYS 4 2HE LYS 4 -12.875 -3.124 -10.500 32 2HE LYS 4 3HE LYS 4 -12.635 -1.396 -10.190 33 1HZ LYS 4 1HZ LYS 4 -12.954 -1.878 -12.517 34 2HZ LYS 4 2HZ LYS 4 -11.435 -1.286 -12.289 35 3HZ LYS 4 3HZ LYS 4 -11.668 -2.897 -12.542 36 H THR 5 H THR 5 -8.527 -3.314 -4.883 37 HA THR 5 HA THR 5 -10.908 -2.018 -3.698 38 HB THR 5 HB THR 5 -9.186 -4.043 -2.170 39 HG1 THR 5 1HG THR 5 -11.491 -3.941 -3.487 40 1HG2 THR 5 1HG2 THR 5 -10.686 -3.526 -0.246 41 2HG2 THR 5 2HG2 THR 5 -9.712 -2.110 -0.661 42 3HG2 THR 5 3HG2 THR 5 -11.415 -2.193 -1.159 43 H VAL 6 H VAL 6 -10.443 -0.190 -2.630 44 HA VAL 6 HA VAL 6 -7.647 0.291 -2.220 45 HB VAL 6 HB VAL 6 -8.153 1.709 -3.973 46 1HG1 VAL 6 1HG1 VAL 6 -10.758 2.542 -2.744 47 2HG1 VAL 6 2HG1 VAL 6 -10.001 3.231 -4.208 48 3HG1 VAL 6 3HG1 VAL 6 -10.481 1.539 -4.199 49 1HG2 VAL 6 1HG2 VAL 6 -8.647 3.563 -1.594 50 2HG2 VAL 6 2HG2 VAL 6 -7.048 2.971 -2.075 51 3HG2 VAL 6 3HG2 VAL 6 -7.965 4.012 -3.170 52 H TYR 7 H TYR 7 -6.958 1.079 -0.378 53 HA TYR 7 HA TYR 7 -8.913 1.137 1.893 54 1HB TYR 7 2HB TYR 7 -6.012 0.230 1.909 55 2HB TYR 7 3HB TYR 7 -7.176 0.135 3.222 56 HD1 TYR 7 HD1 TYR 7 -6.519 -1.190 -0.260 57 HD2 TYR 7 HD2 TYR 7 -8.090 -1.945 3.675 58 HE1 TYR 7 HE1 TYR 7 -6.855 -3.550 -0.851 59 HE2 TYR 7 HE2 TYR 7 -8.449 -4.317 3.068 60 HH TYR 7 HH TYR 7 -7.728 -5.645 -0.106 61 H ARG 8 H ARG 8 -7.998 2.531 3.731 62 HA ARG 8 HA ARG 8 -6.607 4.891 2.535 63 1HB ARG 8 2HB ARG 8 -8.571 4.696 4.841 64 2HB ARG 8 3HB ARG 8 -7.643 6.145 4.406 65 1HG ARG 8 2HG ARG 8 -8.590 5.974 2.048 66 2HG ARG 8 3HG ARG 8 -9.600 4.638 2.602 67 1HD ARG 8 2HD ARG 8 -10.831 6.719 2.540 68 2HD ARG 8 3HD ARG 8 -10.720 6.107 4.211 69 HE ARG 8 HE ARG 8 -8.586 7.946 3.614 70 1HH1 ARG 8 2HH2 ARG 8 -12.098 7.923 4.098 71 2HH1 ARG 8 1HH2 ARG 8 -12.157 9.398 5.003 72 1HH2 ARG 8 2HH1 ARG 8 -8.640 10.013 4.715 73 2HH2 ARG 8 1HH1 ARG 8 -10.156 10.675 5.232 74 H VAL 9 H VAL 9 -4.717 5.658 3.397 75 HA VAL 9 HA VAL 9 -3.565 4.033 5.649 76 HB VAL 9 HB VAL 9 -2.463 3.226 3.732 77 1HG1 VAL 9 1HG1 VAL 9 -2.103 6.101 2.766 78 2HG1 VAL 9 2HG1 VAL 9 -1.449 4.646 1.994 79 3HG1 VAL 9 3HG1 VAL 9 -3.185 4.885 2.046 80 1HG2 VAL 9 1HG2 VAL 9 -0.192 3.842 4.074 81 2HG2 VAL 9 2HG2 VAL 9 -0.628 5.423 4.740 82 3HG2 VAL 9 3HG2 VAL 9 -1.006 3.936 5.639 83 H ASP 10 H ASP 10 -2.404 5.201 7.239 84 HA ASP 10 HA ASP 10 -1.960 8.059 6.668 85 1HB ASP 10 2HB ASP 10 -4.321 7.621 7.762 86 2HB ASP 10 3HB ASP 10 -3.411 7.392 9.247 87 H GLY 11 H GLY 11 -0.787 9.050 8.528 88 1HA GLY 11 1HA GLY 11 1.172 9.193 9.727 89 2HA GLY 11 2HA GLY 11 0.685 7.653 10.450 90 H LEU 12 H LEU 12 2.124 8.909 7.384 91 HA LEU 12 HA LEU 12 4.268 6.876 7.529 92 1HB LEU 12 2HB LEU 12 4.123 6.487 5.169 93 2HB LEU 12 3HB LEU 12 2.545 6.178 5.884 94 HG LEU 12 HG LEU 12 2.179 7.111 3.853 95 1HD1 LEU 12 1HD1 LEU 12 1.608 9.473 5.609 96 2HD1 LEU 12 2HD1 LEU 12 0.762 8.917 4.162 97 3HD1 LEU 12 3HD1 LEU 12 0.702 7.926 5.632 98 1HD2 LEU 12 1HD2 LEU 12 4.430 8.188 3.526 99 2HD2 LEU 12 2HD2 LEU 12 3.047 9.095 2.898 100 3HD2 LEU 12 3HD2 LEU 12 3.798 9.615 4.396 101 H SER 13 H SER 13 6.206 7.594 6.192 102 HA SER 13 HA SER 13 6.923 10.244 6.889 103 1HB SER 13 2HB SER 13 8.216 8.159 5.119 104 2HB SER 13 3HB SER 13 8.894 9.791 5.296 105 HG SER 13 HG SER 13 8.888 7.720 7.069 106 H CYS 14 H CYS 14 6.987 9.209 3.389 107 HA CYS 14 HA CYS 14 5.275 11.261 2.509 108 1HB CYS 14 2HB CYS 14 7.570 12.473 3.456 109 2HB CYS 14 3HB CYS 14 8.052 12.194 1.791 110 HG CYS 14 HG CYS 14 6.142 13.523 0.687 111 H THR 15 H THR 15 6.368 11.883 0.026 112 HA THR 15 HA THR 15 5.670 9.812 -1.529 113 HB THR 15 HB THR 15 5.931 12.161 -2.212 114 HG1 THR 15 1HG THR 15 6.999 10.140 -3.875 115 1HG2 THR 15 1HG2 THR 15 8.852 11.473 -2.771 116 2HG2 THR 15 2HG2 THR 15 8.002 12.976 -3.145 117 3HG2 THR 15 3HG2 THR 15 8.300 12.536 -1.454 118 H ASN 16 H ASN 16 8.982 10.377 -0.331 119 HA ASN 16 HA ASN 16 10.393 8.510 -1.793 120 1HB ASN 16 2HB ASN 16 10.691 9.125 1.184 121 2HB ASN 16 3HB ASN 16 11.906 8.356 0.156 122 1HD2 ASN 16 1HD2 ASN 16 10.613 11.407 1.232 123 2HD2 ASN 16 2HD2 ASN 16 11.544 12.399 0.128 124 H CYS 17 H CYS 17 8.440 8.012 1.151 125 HA CYS 17 HA CYS 17 8.890 5.107 1.228 126 1HB CYS 17 2HB CYS 17 7.250 7.073 2.824 127 2HB CYS 17 3HB CYS 17 6.937 5.330 2.921 128 HG CYS 17 HG CYS 17 9.952 6.600 3.137 129 H ALA 18 H ALA 18 6.453 7.417 -0.002 130 HA ALA 18 HA ALA 18 4.416 5.573 -0.582 131 1HB ALA 18 1HB ALA 18 4.385 8.104 -0.980 132 2HB ALA 18 2HB ALA 18 5.166 7.773 -2.538 133 3HB ALA 18 3HB ALA 18 3.584 7.079 -2.196 134 H ALA 19 H ALA 19 7.284 6.481 -2.449 135 HA ALA 19 HA ALA 19 6.849 4.825 -4.737 136 1HB ALA 19 1HB ALA 19 8.474 6.682 -4.704 137 2HB ALA 19 2HB ALA 19 9.488 5.796 -3.547 138 3HB ALA 19 3HB ALA 19 9.243 5.155 -5.181 139 H LYS 20 H LYS 20 8.794 4.321 -1.751 140 HA LYS 20 HA LYS 20 9.573 1.675 -2.276 141 1HB LYS 20 2HB LYS 20 10.405 3.116 -0.442 142 2HB LYS 20 3HB LYS 20 8.905 2.845 0.460 143 1HG LYS 20 2HG LYS 20 9.405 0.627 0.930 144 2HG LYS 20 3HG LYS 20 10.401 0.408 -0.508 145 1HD LYS 20 2HD LYS 20 12.167 1.820 0.427 146 2HD LYS 20 3HD LYS 20 11.182 2.151 1.873 147 1HE LYS 20 2HE LYS 20 11.273 -0.174 2.562 148 2HE LYS 20 3HE LYS 20 12.007 -0.671 1.030 149 1HZ LYS 20 1HZ LYS 20 13.298 1.090 3.008 150 2HZ LYS 20 2HZ LYS 20 13.621 -0.510 2.796 151 3HZ LYS 20 3HZ LYS 20 13.963 0.560 1.597 152 H PHE 21 H PHE 21 6.519 2.895 -0.877 153 HA PHE 21 HA PHE 21 5.443 0.343 -0.278 154 1HB PHE 21 2HB PHE 21 4.681 2.780 0.423 155 2HB PHE 21 3HB PHE 21 3.683 2.692 -1.013 156 HD1 PHE 21 1HD PHE 21 4.584 0.218 1.756 157 HD2 PHE 21 2HD PHE 21 1.416 2.223 -0.371 158 HE1 PHE 21 1HE PHE 21 3.004 -0.313 3.557 159 HE2 PHE 21 2HE PHE 21 -0.044 1.978 1.627 160 HZ PHE 21 HZ PHE 21 0.901 1.005 3.708 161 H GLU 22 H GLU 22 4.817 2.486 -3.153 162 HA GLU 22 HA GLU 22 3.084 0.642 -4.388 163 1HB GLU 22 2HB GLU 22 3.098 1.949 -6.257 164 2HB GLU 22 3HB GLU 22 3.659 3.118 -5.053 165 1HG GLU 22 2HG GLU 22 5.920 2.945 -5.809 166 2HG GLU 22 3HG GLU 22 5.497 1.667 -6.971 167 H ARG 23 H ARG 23 6.613 1.003 -4.615 168 HA ARG 23 HA ARG 23 7.081 -1.049 -6.515 169 1HB ARG 23 2HB ARG 23 8.690 0.794 -5.561 170 2HB ARG 23 3HB ARG 23 8.947 -0.309 -4.208 171 1HG ARG 23 2HG ARG 23 10.681 -0.960 -5.569 172 2HG ARG 23 3HG ARG 23 9.435 -2.062 -6.172 173 1HD ARG 23 2HD ARG 23 8.891 -0.378 -7.970 174 2HD ARG 23 3HD ARG 23 10.220 0.636 -7.342 175 HE ARG 23 HE ARG 23 11.076 -2.063 -7.914 176 1HH1 ARG 23 2HH2 ARG 23 10.345 1.025 -9.443 177 2HH1 ARG 23 1HH2 ARG 23 11.399 0.809 -10.805 178 1HH2 ARG 23 2HH1 ARG 23 12.471 -2.423 -9.730 179 2HH2 ARG 23 1HH1 ARG 23 12.632 -1.227 -10.977 180 H ASN 24 H ASN 24 7.192 -1.150 -2.903 181 HA ASN 24 HA ASN 24 7.698 -3.870 -2.535 182 1HB ASN 24 2HB ASN 24 6.290 -1.745 -0.940 183 2HB ASN 24 3HB ASN 24 5.831 -3.390 -0.583 184 1HD2 ASN 24 1HD2 ASN 24 7.759 -4.996 -0.367 185 2HD2 ASN 24 2HD2 ASN 24 8.950 -4.424 0.777 186 H VAL 25 H VAL 25 4.492 -2.276 -3.046 187 HA VAL 25 HA VAL 25 3.104 -4.762 -2.942 188 HB VAL 25 HB VAL 25 2.202 -2.207 -4.325 189 1HG1 VAL 25 1HG1 VAL 25 0.906 -4.196 -5.019 190 2HG1 VAL 25 2HG1 VAL 25 0.682 -4.670 -3.322 191 3HG1 VAL 25 3HG1 VAL 25 -0.067 -3.188 -3.934 192 1HG2 VAL 25 1HG2 VAL 25 0.862 -1.996 -2.153 193 2HG2 VAL 25 2HG2 VAL 25 1.887 -3.293 -1.495 194 3HG2 VAL 25 3HG2 VAL 25 2.588 -1.748 -1.947 195 H LYS 26 H LYS 26 4.322 -2.896 -5.774 196 HA LYS 26 HA LYS 26 3.639 -4.704 -7.814 197 1HB LYS 26 2HB LYS 26 5.772 -2.624 -7.363 198 2HB LYS 26 3HB LYS 26 5.856 -3.603 -8.814 199 1HG LYS 26 2HG LYS 26 3.822 -2.839 -9.624 200 2HG LYS 26 3HG LYS 26 3.230 -2.300 -8.038 201 1HD LYS 26 2HD LYS 26 4.596 -0.379 -8.021 202 2HD LYS 26 3HD LYS 26 5.610 -0.977 -9.345 203 1HE LYS 26 2HE LYS 26 3.721 -0.752 -10.932 204 2HE LYS 26 3HE LYS 26 2.620 -0.327 -9.609 205 1HZ LYS 26 1HZ LYS 26 3.316 1.609 -10.818 206 2HZ LYS 26 2HZ LYS 26 3.865 1.726 -9.298 207 3HZ LYS 26 3HZ LYS 26 4.899 1.335 -10.484 208 H GLU 27 H GLU 27 6.354 -4.934 -5.496 209 HA GLU 27 HA GLU 27 7.644 -7.125 -6.828 210 1HB GLU 27 2HB GLU 27 7.728 -6.133 -3.964 211 2HB GLU 27 3HB GLU 27 8.761 -7.416 -4.576 212 1HG GLU 27 2HG GLU 27 9.955 -5.996 -6.013 213 2HG GLU 27 3HG GLU 27 8.710 -4.752 -6.020 214 H ILE 28 H ILE 28 4.692 -7.069 -4.894 215 HA ILE 28 HA ILE 28 4.976 -9.854 -4.029 216 HB ILE 28 HB ILE 28 2.497 -8.131 -4.085 217 1HG1 ILE 28 2HG1 ILE 28 4.181 -8.538 -1.597 218 2HG1 ILE 28 3HG1 ILE 28 4.405 -7.157 -2.667 219 1HG2 ILE 28 1HG2 ILE 28 3.112 -10.859 -3.048 220 2HG2 ILE 28 2HG2 ILE 28 2.180 -9.838 -1.968 221 3HG2 ILE 28 3HG2 ILE 28 1.576 -10.141 -3.596 222 1HD1 ILE 28 1HD1 ILE 28 2.891 -6.482 -0.912 223 2HD1 ILE 28 2HD1 ILE 28 1.996 -6.559 -2.445 224 3HD1 ILE 28 3HD1 ILE 28 1.800 -7.830 -1.259 225 H GLU 29 H GLU 29 4.146 -11.673 -5.139 226 HA GLU 29 HA GLU 29 3.275 -11.358 -7.859 227 1HB GLU 29 2HB GLU 29 3.872 -13.670 -5.956 228 2HB GLU 29 3HB GLU 29 3.223 -13.915 -7.565 229 1HG GLU 29 2HG GLU 29 5.138 -12.750 -8.581 230 2HG GLU 29 3HG GLU 29 5.828 -12.447 -6.975 231 H GLY 30 H GLY 30 1.678 -11.681 -4.881 232 1HA GLY 30 1HA GLY 30 -0.727 -13.040 -5.712 233 2HA GLY 30 2HA GLY 30 -0.534 -12.048 -4.258 234 H VAL 31 H VAL 31 0.292 -9.649 -5.806 235 HA VAL 31 HA VAL 31 -2.385 -8.698 -6.569 236 HB VAL 31 HB VAL 31 -0.999 -7.728 -4.727 237 1HG1 VAL 31 1HG1 VAL 31 1.205 -7.912 -5.963 238 2HG1 VAL 31 2HG1 VAL 31 0.725 -6.486 -6.897 239 3HG1 VAL 31 3HG1 VAL 31 0.879 -6.402 -5.124 240 1HG2 VAL 31 1HG2 VAL 31 -1.497 -5.660 -6.854 241 2HG2 VAL 31 2HG2 VAL 31 -2.786 -6.477 -5.921 242 3HG2 VAL 31 3HG2 VAL 31 -1.551 -5.497 -5.096 243 H THR 32 H THR 32 -2.001 -6.799 -8.353 244 HA THR 32 HA THR 32 -0.157 -7.677 -10.499 245 HB THR 32 HB THR 32 -3.161 -7.330 -10.861 246 HG1 THR 32 1HG THR 32 -1.524 -9.485 -10.325 247 1HG2 THR 32 1HG2 THR 32 -0.979 -8.082 -12.847 248 2HG2 THR 32 2HG2 THR 32 -2.728 -8.160 -13.151 249 3HG2 THR 32 3HG2 THR 32 -1.955 -6.595 -12.852 250 H GLU 33 H GLU 33 -2.779 -5.334 -9.641 251 HA GLU 33 HA GLU 33 -0.843 -3.174 -10.477 252 1HB GLU 33 2HB GLU 33 -3.843 -3.250 -10.964 253 2HB GLU 33 3HB GLU 33 -2.908 -1.759 -10.827 254 1HG GLU 33 2HG GLU 33 -1.353 -3.074 -12.632 255 2HG GLU 33 3HG GLU 33 -2.916 -3.816 -12.997 256 H ALA 34 H ALA 34 -0.709 -1.367 -9.203 257 HA ALA 34 HA ALA 34 -2.159 -1.354 -6.650 258 1HB ALA 34 1HB ALA 34 -0.159 -2.743 -6.275 259 2HB ALA 34 2HB ALA 34 0.890 -1.433 -6.853 260 3HB ALA 34 3HB ALA 34 -0.063 -1.209 -5.365 261 H ILE 35 H ILE 35 -2.743 0.785 -6.279 262 HA ILE 35 HA ILE 35 -1.033 2.898 -7.590 263 HB ILE 35 HB ILE 35 -4.063 2.882 -7.740 264 1HG1 ILE 35 2HG1 ILE 35 -2.028 2.435 -9.970 265 2HG1 ILE 35 3HG1 ILE 35 -2.987 1.145 -9.235 266 1HG2 ILE 35 1HG2 ILE 35 -3.736 4.864 -9.129 267 2HG2 ILE 35 2HG2 ILE 35 -2.990 5.120 -7.557 268 3HG2 ILE 35 3HG2 ILE 35 -1.973 4.728 -8.958 269 1HD1 ILE 35 1HD1 ILE 35 -4.029 1.755 -11.276 270 2HD1 ILE 35 2HD1 ILE 35 -5.078 2.238 -9.930 271 3HD1 ILE 35 3HD1 ILE 35 -4.130 3.459 -10.816 272 H VAL 36 H VAL 36 -0.071 3.641 -5.769 273 HA VAL 36 HA VAL 36 -1.776 4.225 -3.412 274 HB VAL 36 HB VAL 36 0.227 2.870 -3.058 275 1HG1 VAL 36 1HG1 VAL 36 1.663 3.904 -4.829 276 2HG1 VAL 36 2HG1 VAL 36 1.862 5.332 -3.799 277 3HG1 VAL 36 3HG1 VAL 36 2.442 3.756 -3.238 278 1HG2 VAL 36 1HG2 VAL 36 0.374 5.644 -1.814 279 2HG2 VAL 36 2HG2 VAL 36 -0.612 4.289 -1.223 280 3HG2 VAL 36 3HG2 VAL 36 1.165 4.207 -1.194 281 H ASN 37 H ASN 37 -2.174 6.242 -2.671 282 HA ASN 37 HA ASN 37 -0.542 8.486 -3.712 283 1HB ASN 37 2HB ASN 37 -3.560 8.369 -3.845 284 2HB ASN 37 3HB ASN 37 -2.728 9.904 -3.561 285 1HD2 ASN 37 1HD2 ASN 37 -4.390 9.281 -5.878 286 2HD2 ASN 37 2HD2 ASN 37 -3.303 9.453 -7.242 287 H PHE 38 H PHE 38 0.442 7.678 -1.797 288 HA PHE 38 HA PHE 38 -0.301 8.247 0.885 289 1HB PHE 38 2HB PHE 38 2.228 8.458 -0.785 290 2HB PHE 38 3HB PHE 38 2.216 9.112 0.835 291 HD1 PHE 38 1HD PHE 38 0.171 6.105 0.604 292 HD2 PHE 38 2HD PHE 38 4.149 7.653 1.260 293 HE1 PHE 38 1HE PHE 38 0.728 4.161 1.936 294 HE2 PHE 38 2HE PHE 38 4.704 5.665 2.556 295 HZ PHE 38 HZ PHE 38 3.026 3.822 2.843 296 H GLY 39 H GLY 39 0.272 10.442 -1.816 297 1HA GLY 39 1HA GLY 39 0.818 12.720 -0.325 298 2HA GLY 39 2HA GLY 39 -0.001 12.701 -1.912 299 H ALA 40 H ALA 40 -2.165 10.875 -0.510 300 HA ALA 40 HA ALA 40 -3.305 12.799 1.451 301 1HB ALA 40 1HB ALA 40 -4.718 12.978 -0.501 302 2HB ALA 40 2HB ALA 40 -4.849 11.216 -0.638 303 3HB ALA 40 3HB ALA 40 -5.569 12.066 0.759 304 H SER 41 H SER 41 -4.859 9.692 0.811 305 HA SER 41 HA SER 41 -3.500 8.295 2.871 306 1HB SER 41 2HB SER 41 -6.321 9.405 3.388 307 2HB SER 41 3HB SER 41 -5.432 8.334 4.474 308 HG SER 41 HG SER 41 -3.810 10.181 4.374 309 H LYS 42 H LYS 42 -3.675 7.324 0.430 310 HA LYS 42 HA LYS 42 -5.854 5.392 0.531 311 1HB LYS 42 2HB LYS 42 -6.716 5.872 -1.704 312 2HB LYS 42 3HB LYS 42 -7.009 7.141 -0.527 313 1HG LYS 42 2HG LYS 42 -4.832 8.263 -1.527 314 2HG LYS 42 3HG LYS 42 -4.984 7.039 -2.791 315 1HD LYS 42 2HD LYS 42 -5.912 9.148 -3.521 316 2HD LYS 42 3HD LYS 42 -7.197 7.933 -3.429 317 1HE LYS 42 2HE LYS 42 -8.215 8.939 -1.567 318 2HE LYS 42 3HE LYS 42 -6.715 9.686 -1.006 319 1HZ LYS 42 1HZ LYS 42 -6.865 11.271 -2.771 320 2HZ LYS 42 2HZ LYS 42 -8.235 10.575 -3.365 321 3HZ LYS 42 3HZ LYS 42 -8.246 11.293 -1.887 322 H ILE 43 H ILE 43 -5.473 3.576 -0.449 323 HA ILE 43 HA ILE 43 -3.133 3.205 -2.214 324 HB ILE 43 HB ILE 43 -2.253 3.057 -0.015 325 1HG1 ILE 43 2HG1 ILE 43 -1.157 1.668 -1.629 326 2HG1 ILE 43 3HG1 ILE 43 -1.138 0.928 -0.029 327 1HG2 ILE 43 1HG2 ILE 43 -4.201 0.841 0.638 328 2HG2 ILE 43 2HG2 ILE 43 -2.814 1.354 1.608 329 3HG2 ILE 43 3HG2 ILE 43 -4.148 2.471 1.338 330 1HD1 ILE 43 1HD1 ILE 43 -2.744 0.049 -2.405 331 2HD1 ILE 43 2HD1 ILE 43 -1.477 -0.809 -1.540 332 3HD1 ILE 43 3HD1 ILE 43 -3.050 -0.559 -0.760 333 H THR 44 H THR 44 -4.091 2.459 -3.984 334 HA THR 44 HA THR 44 -6.293 0.532 -3.892 335 HB THR 44 HB THR 44 -4.667 1.480 -6.249 336 HG1 THR 44 1HG THR 44 -7.018 2.591 -5.310 337 1HG2 THR 44 1HG2 THR 44 -6.725 1.018 -7.538 338 2HG2 THR 44 2HG2 THR 44 -6.045 -0.439 -6.809 339 3HG2 THR 44 3HG2 THR 44 -7.470 0.328 -6.078 340 H VAL 45 H VAL 45 -6.100 -1.583 -4.137 341 HA VAL 45 HA VAL 45 -3.568 -2.798 -5.100 342 HB VAL 45 HB VAL 45 -5.293 -3.356 -2.691 343 1HG1 VAL 45 1HG1 VAL 45 -4.478 -5.686 -2.492 344 2HG1 VAL 45 2HG1 VAL 45 -5.595 -5.494 -3.846 345 3HG1 VAL 45 3HG1 VAL 45 -3.844 -5.603 -4.140 346 1HG2 VAL 45 1HG2 VAL 45 -2.329 -3.840 -3.164 347 2HG2 VAL 45 2HG2 VAL 45 -3.019 -2.319 -2.572 348 3HG2 VAL 45 3HG2 VAL 45 -3.193 -3.800 -1.610 349 H THR 46 H THR 46 -3.919 -4.244 -6.795 350 HA THR 46 HA THR 46 -6.631 -5.288 -7.281 351 HB THR 46 HB THR 46 -4.939 -3.541 -9.132 352 HG1 THR 46 1HG THR 46 -6.955 -3.306 -7.498 353 1HG2 THR 46 1HG2 THR 46 -6.752 -3.921 -10.835 354 2HG2 THR 46 2HG2 THR 46 -5.783 -5.373 -10.548 355 3HG2 THR 46 3HG2 THR 46 -7.399 -5.230 -9.822 356 H GLY 47 H GLY 47 -6.485 -7.297 -8.015 357 1HA GLY 47 1HA GLY 47 -4.911 -8.411 -9.848 358 2HA GLY 47 2HA GLY 47 -3.806 -8.476 -8.480 359 H GLU 48 H GLU 48 -4.232 -9.892 -6.730 360 HA GLU 48 HA GLU 48 -6.892 -10.805 -6.205 361 1HB GLU 48 2HB GLU 48 -5.749 -12.377 -8.076 362 2HB GLU 48 3HB GLU 48 -5.027 -13.148 -6.674 363 1HG GLU 48 2HG GLU 48 -7.273 -13.631 -5.784 364 2HG GLU 48 3HG GLU 48 -8.013 -12.610 -7.047 365 H ALA 49 H ALA 49 -5.412 -9.189 -4.640 366 HA ALA 49 HA ALA 49 -4.832 -10.880 -2.288 367 1HB ALA 49 1HB ALA 49 -2.848 -8.876 -3.451 368 2HB ALA 49 2HB ALA 49 -2.708 -9.692 -1.880 369 3HB ALA 49 3HB ALA 49 -2.642 -10.644 -3.375 370 H SER 50 H SER 50 -4.262 -9.384 -0.382 371 HA SER 50 HA SER 50 -6.160 -7.094 -0.299 372 1HB SER 50 2HB SER 50 -5.747 -9.373 1.690 373 2HB SER 50 3HB SER 50 -6.705 -7.926 2.014 374 HG SER 50 HG SER 50 -8.024 -9.638 1.220 375 H ILE 51 H ILE 51 -5.792 -5.631 1.594 376 HA ILE 51 HA ILE 51 -3.252 -4.693 1.542 377 HB ILE 51 HB ILE 51 -5.451 -3.542 2.453 378 1HG1 ILE 51 2HG1 ILE 51 -4.123 -1.948 3.712 379 2HG1 ILE 51 3HG1 ILE 51 -2.714 -2.983 3.404 380 1HG2 ILE 51 1HG2 ILE 51 -4.186 -4.280 5.108 381 2HG2 ILE 51 2HG2 ILE 51 -5.670 -3.365 4.815 382 3HG2 ILE 51 3HG2 ILE 51 -5.638 -5.102 4.469 383 1HD1 ILE 51 1HD1 ILE 51 -3.204 -2.669 0.886 384 2HD1 ILE 51 2HD1 ILE 51 -4.486 -1.554 1.363 385 3HD1 ILE 51 3HD1 ILE 51 -2.801 -1.178 1.731 386 H GLN 52 H GLN 52 -4.356 -7.206 3.688 387 HA GLN 52 HA GLN 52 -2.571 -7.441 5.733 388 1HB GLN 52 2HB GLN 52 -3.298 -9.509 3.609 389 2HB GLN 52 3HB GLN 52 -2.444 -9.918 5.097 390 1HG GLN 52 2HG GLN 52 -5.204 -8.604 5.056 391 2HG GLN 52 3HG GLN 52 -4.919 -10.344 5.132 392 1HE2 GLN 52 1HE2 GLN 52 -5.452 -7.634 7.097 393 2HE2 GLN 52 2HE2 GLN 52 -4.794 -8.318 8.571 394 H GLN 53 H GLN 53 -1.758 -8.118 2.298 395 HA GLN 53 HA GLN 53 0.991 -8.841 2.955 396 1HB GLN 53 2HB GLN 53 -0.141 -8.025 0.253 397 2HB GLN 53 3HB GLN 53 1.368 -8.906 0.603 398 1HG GLN 53 2HG GLN 53 0.000 -10.735 1.642 399 2HG GLN 53 3HG GLN 53 -1.465 -9.922 1.057 400 1HE2 GLN 53 1HE2 GLN 53 -0.029 -12.595 0.320 401 2HE2 GLN 53 2HE2 GLN 53 0.031 -12.499 -1.430 402 H VAL 54 H VAL 54 -0.625 -5.860 1.935 403 HA VAL 54 HA VAL 54 1.793 -4.410 1.311 404 HB VAL 54 HB VAL 54 -1.000 -3.335 1.904 405 1HG1 VAL 54 1HG1 VAL 54 1.398 -2.104 0.507 406 2HG1 VAL 54 2HG1 VAL 54 -0.245 -1.427 0.496 407 3HG1 VAL 54 3HG1 VAL 54 0.631 -1.582 2.015 408 1HG2 VAL 54 1HG2 VAL 54 -1.114 -3.274 -0.660 409 2HG2 VAL 54 2HG2 VAL 54 0.226 -4.440 -0.642 410 3HG2 VAL 54 3HG2 VAL 54 -1.316 -4.858 0.108 411 H GLU 55 H GLU 55 -0.332 -4.817 4.140 412 HA GLU 55 HA GLU 55 0.729 -2.903 5.884 413 1HB GLU 55 2HB GLU 55 -1.385 -4.267 6.077 414 2HB GLU 55 3HB GLU 55 -0.410 -5.657 6.565 415 1HG GLU 55 2HG GLU 55 -0.407 -2.961 7.977 416 2HG GLU 55 3HG GLU 55 -1.454 -4.319 8.422 417 H GLN 56 H GLN 56 1.446 -6.422 5.490 418 HA GLN 56 HA GLN 56 3.628 -6.562 7.178 419 1HB GLN 56 2HB GLN 56 2.437 -8.441 6.076 420 2HB GLN 56 3HB GLN 56 3.330 -8.152 4.582 421 1HG GLN 56 2HG GLN 56 4.876 -8.533 7.166 422 2HG GLN 56 3HG GLN 56 4.067 -9.925 6.447 423 1HE2 GLN 56 1HE2 GLN 56 5.840 -11.123 5.755 424 2HE2 GLN 56 2HE2 GLN 56 6.967 -10.511 4.556 425 H ALA 57 H ALA 57 3.816 -5.926 3.597 426 HA ALA 57 HA ALA 57 6.545 -5.302 3.457 427 1HB ALA 57 1HB ALA 57 4.185 -4.033 2.003 428 2HB ALA 57 2HB ALA 57 5.890 -3.808 1.592 429 3HB ALA 57 3HB ALA 57 5.157 -5.425 1.472 430 H GLY 58 H GLY 58 3.819 -3.159 4.370 431 1HA GLY 58 1HA GLY 58 5.082 -0.710 4.678 432 2HA GLY 58 2HA GLY 58 3.638 -1.297 5.541 433 H ALA 59 H ALA 59 5.417 -3.598 6.706 434 HA ALA 59 HA ALA 59 6.124 -2.535 9.155 435 1HB ALA 59 1HB ALA 59 7.562 -4.759 7.664 436 2HB ALA 59 2HB ALA 59 7.615 -4.453 9.410 437 3HB ALA 59 3HB ALA 59 6.087 -4.940 8.653 438 H PHE 60 H PHE 60 7.900 -2.059 6.093 439 HA PHE 60 HA PHE 60 10.373 -1.297 7.228 440 1HB PHE 60 2HB PHE 60 10.825 -0.037 5.268 441 2HB PHE 60 3HB PHE 60 10.110 -1.592 4.861 442 HD1 PHE 60 1HD PHE 60 8.428 -1.623 3.184 443 HD2 PHE 60 2HD PHE 60 9.347 2.077 5.188 444 HE1 PHE 60 1HE PHE 60 6.825 -0.449 1.745 445 HE2 PHE 60 2HE PHE 60 7.646 3.235 3.819 446 HZ PHE 60 HZ PHE 60 6.387 1.993 2.076 447 H GLU 61 H GLU 61 7.352 0.537 7.124 448 HA GLU 61 HA GLU 61 8.635 2.724 8.736 449 1HB GLU 61 2HB GLU 61 7.967 3.362 6.426 450 2HB GLU 61 3HB GLU 61 6.304 2.905 6.798 451 1HG GLU 61 2HG GLU 61 6.506 5.286 6.929 452 2HG GLU 61 3HG GLU 61 6.374 4.749 8.604 453 H HIS 62 H HIS 62 6.137 0.313 8.651 454 HA HIS 62 HA HIS 62 4.705 -0.457 10.179 455 1HB HIS 62 2HB HIS 62 5.349 1.744 12.149 456 2HB HIS 62 3HB HIS 62 4.742 0.124 12.451 457 HD1 HIS 62 HD1 HIS 62 7.330 -1.219 10.651 458 HD2 HIS 62 HD2 HIS 62 7.372 1.601 13.777 459 HE1 HIS 62 HE1 HIS 62 9.586 -1.406 11.757 460 H LEU 63 H LEU 63 3.504 0.781 8.166 461 HA LEU 63 HA LEU 63 2.103 3.204 9.025 462 1HB LEU 63 2HB LEU 63 1.452 1.420 6.641 463 2HB LEU 63 3HB LEU 63 0.878 3.051 6.961 464 HG LEU 63 HG LEU 63 2.428 3.525 5.435 465 1HD1 LEU 63 1HD1 LEU 63 4.241 3.555 7.894 466 2HD1 LEU 63 2HD1 LEU 63 4.380 4.534 6.431 467 3HD1 LEU 63 3HD1 LEU 63 2.996 4.755 7.524 468 1HD2 LEU 63 1HD2 LEU 63 4.443 1.530 6.535 469 2HD2 LEU 63 2HD2 LEU 63 3.274 1.151 5.264 470 3HD2 LEU 63 3HD2 LEU 63 4.507 2.397 4.991 471 H LYS 64 H LYS 64 -0.323 3.362 8.892 472 HA LYS 64 HA LYS 64 -1.692 0.882 9.806 473 1HB LYS 64 2HB LYS 64 -3.238 2.388 11.134 474 2HB LYS 64 3HB LYS 64 -1.645 1.990 11.772 475 1HG LYS 64 2HG LYS 64 -1.682 4.161 12.352 476 2HG LYS 64 3HG LYS 64 -0.882 4.300 10.816 477 1HD LYS 64 2HD LYS 64 -2.353 5.829 10.298 478 2HD LYS 64 3HD LYS 64 -3.569 4.586 10.057 479 1HE LYS 64 2HE LYS 64 -2.997 6.064 12.692 480 2HE LYS 64 3HE LYS 64 -4.244 6.543 11.539 481 1HZ LYS 64 1HZ LYS 64 -5.375 4.512 11.904 482 2HZ LYS 64 2HZ LYS 64 -4.180 3.921 12.873 483 3HZ LYS 64 3HZ LYS 64 -5.086 5.207 13.365 484 H ILE 65 H ILE 65 -3.134 0.263 8.392 485 HA ILE 65 HA ILE 65 -4.319 2.237 6.552 486 HB ILE 65 HB ILE 65 -3.940 -0.619 5.710 487 1HG1 ILE 65 2HG1 ILE 65 -1.696 1.394 5.743 488 2HG1 ILE 65 3HG1 ILE 65 -1.792 -0.308 6.299 489 1HG2 ILE 65 1HG2 ILE 65 -5.404 0.834 4.436 490 2HG2 ILE 65 2HG2 ILE 65 -4.092 1.972 4.162 491 3HG2 ILE 65 3HG2 ILE 65 -4.014 0.350 3.466 492 1HD1 ILE 65 1HD1 ILE 65 -2.064 -0.972 3.908 493 2HD1 ILE 65 2HD1 ILE 65 -1.547 0.671 3.472 494 3HD1 ILE 65 3HD1 ILE 65 -0.494 -0.421 4.422 495 H ILE 66 H ILE 66 -6.535 2.018 6.224 496 HA ILE 66 HA ILE 66 -7.913 -0.085 7.814 497 HB ILE 66 HB ILE 66 -8.722 2.835 7.571 498 1HG1 ILE 66 2HG1 ILE 66 -8.401 2.420 10.234 499 2HG1 ILE 66 3HG1 ILE 66 -7.174 1.297 9.655 500 1HG2 ILE 66 1HG2 ILE 66 -9.935 0.557 9.191 501 2HG2 ILE 66 2HG2 ILE 66 -10.459 2.250 9.203 502 3HG2 ILE 66 3HG2 ILE 66 -10.659 1.288 7.741 503 1HD1 ILE 66 1HD1 ILE 66 -7.391 4.285 9.051 504 2HD1 ILE 66 2HD1 ILE 66 -6.226 3.503 10.135 505 3HD1 ILE 66 3HD1 ILE 66 -6.121 3.238 8.389 506 HA PRO 67 HA PRO 67 -10.039 -0.520 3.787 507 1HB PRO 67 2HB PRO 67 -11.880 -2.409 4.509 508 2HB PRO 67 3HB PRO 67 -10.170 -2.816 4.242 509 1HG PRO 67 2HG PRO 67 -11.558 -2.317 6.873 510 2HG PRO 67 3HG PRO 67 -10.423 -3.629 6.458 511 1HD PRO 67 2HD PRO 67 -9.681 -1.371 7.788 512 2HD PRO 67 3HD PRO 67 -8.564 -2.192 6.660 513 H GLU 68 H GLU 68 -10.939 1.642 3.796 514 HA GLU 68 HA GLU 68 -12.824 2.685 5.419 515 1HB GLU 68 2HB GLU 68 -11.583 3.663 3.338 516 2HB GLU 68 3HB GLU 68 -12.950 3.047 2.387 517 1HG GLU 68 2HG GLU 68 -14.484 4.308 3.885 518 2HG GLU 68 3HG GLU 68 -13.077 4.895 4.793 519 H LYS 69 H LYS 69 -13.397 0.641 2.582 520 HA LYS 69 HA LYS 69 -14.958 -0.833 2.025 521 1HB LYS 69 2HB LYS 69 -14.637 -1.469 4.427 522 2HB LYS 69 3HB LYS 69 -16.124 -0.621 4.840 523 1HG LYS 69 2HG LYS 69 -16.059 -2.777 2.689 524 2HG LYS 69 3HG LYS 69 -16.082 -3.169 4.416 525 1HD LYS 69 2HD LYS 69 -18.190 -1.829 4.691 526 2HD LYS 69 3HD LYS 69 -18.188 -1.489 2.960 527 1HE LYS 69 2HE LYS 69 -19.733 -3.298 3.428 528 2HE LYS 69 3HE LYS 69 -18.400 -3.879 2.423 529 1HZ LYS 69 1HZ LYS 69 -18.959 -5.395 4.210 530 2HZ LYS 69 2HZ LYS 69 -17.421 -4.851 4.381 531 3HZ LYS 69 3HZ LYS 69 -18.616 -4.253 5.342 532 H GLU 70 H GLU 70 -16.736 1.495 4.096 533 HA GLU 70 HA GLU 70 -17.944 2.860 1.948 534 1HB GLU 70 2HB GLU 70 -19.303 0.729 1.759 535 2HB GLU 70 3HB GLU 70 -19.915 1.015 3.394 536 1HG GLU 70 2HG GLU 70 -20.879 3.184 2.604 537 2HG GLU 70 3HG GLU 70 -20.246 2.856 0.982 538 H ALA 71 H ALA 71 -18.614 1.692 5.323 539 HA ALA 71 HA ALA 71 -18.181 4.207 6.554 540 1HB ALA 71 1HB ALA 71 -21.021 3.065 6.411 541 2HB ALA 71 2HB ALA 71 -20.490 4.382 7.478 542 3HB ALA 71 3HB ALA 71 -20.507 4.620 5.717
Contact the webmaster for help, if required. Tuesday, June 11, 2024 1:27:12 AM GMT (wattos1)