NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10231 | 1pfd | 4181 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1HN ALA 1 15.284 -5.743 1.318 2 2H ALA 1 2HN ALA 1 15.226 -4.127 1.020 3 2H ALA 1 3HN ALA 1 15.226 -4.127 1.020 4 HA ALA 1 HA ALA 1 16.917 -4.093 -0.434 5 1HB ALA 1 3HB ALA 1 17.589 -6.796 0.655 6 2HB ALA 1 1HB ALA 1 18.403 -5.954 -0.707 7 3HB ALA 1 2HB ALA 1 18.422 -5.230 0.940 8 H THR 2 HN THR 2 14.774 -4.013 -1.443 9 HA THR 2 HA THR 2 13.352 -4.633 -3.117 10 HB THR 2 HB THR 2 15.666 -6.479 -3.881 11 HG1 THR 2 HG1 THR 2 15.898 -4.035 -3.572 12 1HG2 THR 2 2HG2 THR 2 13.393 -5.326 -5.552 13 2HG2 THR 2 3HG2 THR 2 14.879 -6.025 -6.226 14 3HG2 THR 2 1HG2 THR 2 13.784 -7.046 -5.291 15 H TYR 3 HN TYR 3 11.802 -5.457 -1.705 16 HA TYR 3 HA TYR 3 11.844 -8.379 -1.170 17 1HB TYR 3 2HB TYR 3 10.042 -6.225 -0.044 18 2HB TYR 3 3HB TYR 3 10.174 -7.891 0.511 19 HD1 TYR 3 HD2 TYR 3 12.745 -8.647 1.074 20 HD2 TYR 3 HD1 TYR 3 11.287 -4.592 1.058 21 HE1 TYR 3 HE2 TYR 3 14.395 -8.039 2.820 22 HE2 TYR 3 HE1 TYR 3 12.830 -4.040 2.883 23 HH TYR 3 HOH TYR 3 13.827 -5.273 4.809 24 H ASN 4 HN ASN 4 9.923 -9.587 -1.196 25 HA ASN 4 HA ASN 4 8.420 -9.383 -3.689 26 1HB ASN 4 2HB ASN 4 9.488 -11.458 -2.796 27 2HB ASN 4 3HB ASN 4 8.432 -11.422 -1.409 28 1HD2 ASN 4 2HND ASN 4 5.551 -12.575 -3.106 29 2HD2 ASN 4 1HND ASN 4 6.147 -11.512 -1.802 30 H VAL 5 HN VAL 5 6.968 -7.634 -3.368 31 HA VAL 5 HA VAL 5 5.239 -7.684 -0.939 32 HB VAL 5 HB VAL 5 5.378 -5.681 -3.199 33 1HG1 VAL 5 1HG1 VAL 5 3.740 -5.738 -0.607 34 2HG1 VAL 5 2HG1 VAL 5 4.032 -4.271 -1.545 35 3HG1 VAL 5 3HG1 VAL 5 3.149 -5.621 -2.258 36 1HG2 VAL 5 1HG2 VAL 5 6.576 -5.695 -0.396 37 2HG2 VAL 5 2HG2 VAL 5 7.418 -5.564 -1.941 38 3HG2 VAL 5 3HG2 VAL 5 6.383 -4.233 -1.379 39 H LYS 6 HN LYS 6 3.296 -8.824 -1.052 40 HA LYS 6 HA LYS 6 2.058 -9.219 -3.720 41 1HB LYS 6 2HB LYS 6 2.107 -11.087 -2.172 42 2HB LYS 6 3HB LYS 6 1.168 -10.148 -1.011 43 1HG LYS 6 2HG LYS 6 -0.683 -9.875 -2.757 44 2HG LYS 6 3HG LYS 6 0.257 -10.852 -3.854 45 1HD LYS 6 2HD LYS 6 -0.983 -11.772 -1.220 46 2HD LYS 6 3HD LYS 6 -1.434 -12.152 -2.863 47 1HE LYS 6 2HE LYS 6 1.054 -12.955 -3.094 48 2HE LYS 6 3HE LYS 6 1.050 -13.027 -1.335 49 1HZ LYS 6 1HNZ LYS 6 -0.891 -14.334 -3.179 50 2HZ LYS 6 2HNZ LYS 6 0.445 -15.099 -2.592 51 3HZ LYS 6 3HNZ LYS 6 -0.785 -14.632 -1.572 52 H LEU 7 HN LEU 7 0.549 -7.937 -4.504 53 HA LEU 7 HA LEU 7 -1.174 -6.352 -2.640 54 1HB LEU 7 2HB LEU 7 -0.435 -5.984 -5.554 55 2HB LEU 7 3HB LEU 7 -1.545 -4.939 -4.686 56 HG LEU 7 HG LEU 7 1.407 -5.312 -4.051 57 1HD1 LEU 7 2HD1 LEU 7 -0.053 -3.218 -5.678 58 2HD1 LEU 7 3HD1 LEU 7 1.577 -2.947 -5.011 59 3HD1 LEU 7 1HD1 LEU 7 1.293 -4.272 -6.149 60 1HD2 LEU 7 2HD2 LEU 7 -0.296 -4.447 -2.239 61 2HD2 LEU 7 3HD2 LEU 7 1.273 -3.659 -2.455 62 3HD2 LEU 7 1HD2 LEU 7 -0.199 -2.937 -3.131 63 H ILE 8 HN ILE 8 -2.799 -7.668 -2.129 64 HA ILE 8 HA ILE 8 -4.006 -9.443 -4.130 65 HB ILE 8 HB ILE 8 -4.784 -8.609 -1.350 66 1HG1 ILE 8 2HG1 ILE 8 -3.998 -11.393 -2.127 67 2HG1 ILE 8 3HG1 ILE 8 -2.747 -10.178 -1.829 68 1HG2 ILE 8 2HG2 ILE 8 -6.094 -10.640 -3.205 69 2HG2 ILE 8 3HG2 ILE 8 -6.474 -10.451 -1.481 70 3HG2 ILE 8 1HG2 ILE 8 -6.834 -9.140 -2.604 71 1HD1 ILE 8 HD2 ILE 8 -4.903 -10.933 0.167 72 2HD1 ILE 8 HD3 ILE 8 -3.205 -11.444 0.198 73 3HD1 ILE 8 HD1 ILE 8 -3.612 -9.727 0.390 74 H THR 9 HN THR 9 -4.441 -8.128 -5.856 75 HA THR 9 HA THR 9 -6.195 -5.824 -5.543 76 HB THR 9 HB THR 9 -6.001 -5.791 -7.981 77 HG1 THR 9 HG1 THR 9 -5.585 -8.097 -8.277 78 1HG2 THR 9 3HG2 THR 9 -3.355 -6.089 -6.480 79 2HG2 THR 9 1HG2 THR 9 -3.489 -5.445 -8.123 80 3HG2 THR 9 2HG2 THR 9 -4.244 -4.569 -6.784 81 HA PRO 10 HA PRO 10 -10.021 -8.021 -6.325 82 1HB PRO 10 2HB PRO 10 -10.558 -6.126 -8.543 83 2HB PRO 10 3HB PRO 10 -11.563 -6.546 -7.113 84 1HG PRO 10 2HG PRO 10 -10.194 -4.245 -7.348 85 2HG PRO 10 3HG PRO 10 -10.383 -5.024 -5.759 86 1HD PRO 10 2HD PRO 10 -7.992 -4.886 -7.426 87 2HD PRO 10 3HD PRO 10 -8.140 -5.052 -5.720 88 H ASP 11 HN ASP 11 -8.031 -7.094 -9.100 89 HA ASP 11 HA ASP 11 -8.849 -8.727 -11.192 90 1HB ASP 11 2HB ASP 11 -6.168 -7.568 -10.292 91 2HB ASP 11 3HB ASP 11 -6.328 -8.495 -11.769 92 H GLY 12 HN GLY 12 -7.075 -9.469 -8.293 93 1HA GLY 12 2HA GLY 12 -7.066 -11.520 -7.421 94 2HA GLY 12 3HA GLY 12 -6.907 -12.347 -8.992 95 H GLU 13 HN GLU 13 -5.238 -9.926 -7.024 96 HA GLU 13 HA GLU 13 -3.221 -9.728 -6.086 97 1HB GLU 13 2HB GLU 13 -2.813 -12.542 -7.010 98 2HB GLU 13 3HB GLU 13 -1.697 -11.634 -5.986 99 1HG GLU 13 2HG GLU 13 -3.143 -11.563 -4.189 100 2HG GLU 13 3HG GLU 13 -4.576 -12.028 -5.130 101 H VAL 14 HN VAL 14 -1.324 -8.846 -6.522 102 HA VAL 14 HA VAL 14 0.147 -9.567 -8.982 103 HB VAL 14 HB VAL 14 0.596 -7.253 -9.590 104 1HG1 VAL 14 3HG1 VAL 14 -1.305 -8.534 -10.627 105 2HG1 VAL 14 1HG1 VAL 14 -2.393 -7.750 -9.449 106 3HG1 VAL 14 2HG1 VAL 14 -1.528 -6.775 -10.646 107 1HG2 VAL 14 3HG2 VAL 14 -1.447 -6.577 -7.450 108 2HG2 VAL 14 1HG2 VAL 14 0.198 -5.930 -7.616 109 3HG2 VAL 14 2HG2 VAL 14 -1.046 -5.483 -8.775 110 H GLU 15 HN GLU 15 1.432 -10.755 -7.571 111 HA GLU 15 HA GLU 15 3.030 -9.465 -5.536 112 1HB GLU 15 2HB GLU 15 2.859 -12.171 -6.787 113 2HB GLU 15 3HB GLU 15 4.512 -11.663 -6.419 114 1HG GLU 15 2HG GLU 15 3.949 -11.210 -4.112 115 2HG GLU 15 3HG GLU 15 2.233 -11.485 -4.455 116 H PHE 16 HN PHE 16 4.808 -8.331 -5.692 117 HA PHE 16 HA PHE 16 6.365 -8.223 -8.191 118 1HB PHE 16 2HB PHE 16 5.903 -6.178 -8.857 119 2HB PHE 16 3HB PHE 16 4.317 -6.776 -8.443 120 HD1 PHE 16 HD2 PHE 16 3.560 -6.125 -5.936 121 HD2 PHE 16 HD1 PHE 16 6.847 -4.260 -8.020 122 HE1 PHE 16 HE2 PHE 16 3.564 -4.281 -4.333 123 HE2 PHE 16 HE1 PHE 16 6.794 -2.418 -6.497 124 HZ PHE 16 HZ PHE 16 5.056 -2.284 -4.689 125 H LYS 17 HN LYS 17 8.163 -6.524 -8.027 126 HA LYS 17 HA LYS 17 9.354 -6.976 -5.332 127 1HB LYS 17 2HB LYS 17 10.468 -7.184 -8.028 128 2HB LYS 17 3HB LYS 17 11.391 -6.118 -6.989 129 1HG LYS 17 2HG LYS 17 12.283 -8.370 -6.684 130 2HG LYS 17 3HG LYS 17 11.555 -7.725 -5.217 131 1HD LYS 17 2HD LYS 17 10.672 -9.812 -5.116 132 2HD LYS 17 3HD LYS 17 9.395 -8.994 -5.981 133 1HE LYS 17 2HE LYS 17 11.594 -10.727 -7.207 134 2HE LYS 17 3HE LYS 17 9.896 -11.178 -7.001 135 1HZ LYS 17 2HNZ LYS 17 9.317 -9.368 -8.518 136 2HZ LYS 17 3HNZ LYS 17 10.902 -9.019 -8.737 137 3HZ LYS 17 1HNZ LYS 17 10.310 -10.466 -9.238 138 H CYS 18 HN CYS 18 9.497 -5.437 -3.986 139 HA CYS 18 HA CYS 18 9.523 -2.601 -4.981 140 1HB CYS 18 2HB CYS 18 7.324 -3.498 -4.015 141 2HB CYS 18 3HB CYS 18 8.191 -3.471 -2.477 142 HG CYS 18 HSG CYS 18 7.880 -1.057 -4.741 143 H ASP 19 HN ASP 19 11.354 -1.611 -4.510 144 HA ASP 19 HA ASP 19 13.242 -2.518 -2.651 145 1HB ASP 19 2HB ASP 19 13.046 0.335 -3.608 146 2HB ASP 19 3HB ASP 19 14.481 -0.617 -3.215 147 H ASP 20 HN ASP 20 13.797 -1.832 -0.704 148 HA ASP 20 HA ASP 20 11.918 -0.950 1.220 149 1HB ASP 20 2HB ASP 20 14.337 -0.675 2.512 150 2HB ASP 20 3HB ASP 20 13.506 -2.166 2.236 151 H ASP 21 HN ASP 21 13.947 0.733 -0.957 152 HA ASP 21 HA ASP 21 13.457 3.358 0.369 153 1HB ASP 21 2HB ASP 21 15.564 2.321 -1.582 154 2HB ASP 21 3HB ASP 21 15.326 4.027 -1.248 155 H VAL 22 HN VAL 22 11.518 1.676 -1.519 156 HA VAL 22 HA VAL 22 10.889 4.105 -3.095 157 HB VAL 22 HB VAL 22 12.084 2.241 -4.483 158 1HG1 VAL 22 3HG1 VAL 22 10.514 0.399 -3.624 159 2HG1 VAL 22 1HG1 VAL 22 9.239 1.140 -4.594 160 3HG1 VAL 22 2HG1 VAL 22 10.699 0.507 -5.372 161 1HG2 VAL 22 1HG2 VAL 22 10.980 4.245 -5.425 162 2HG2 VAL 22 2HG2 VAL 22 10.801 2.804 -6.444 163 3HG2 VAL 22 3HG2 VAL 22 9.436 3.357 -5.460 164 H TYR 23 HN TYR 23 8.653 4.242 -3.749 165 HA TYR 23 HA TYR 23 6.974 3.389 -1.571 166 1HB TYR 23 2HB TYR 23 6.338 4.959 -4.081 167 2HB TYR 23 3HB TYR 23 5.221 4.676 -2.756 168 HD1 TYR 23 HD1 TYR 23 6.548 5.186 -0.299 169 HD2 TYR 23 HD2 TYR 23 7.110 7.195 -4.077 170 HE1 TYR 23 HE1 TYR 23 6.869 7.316 0.883 171 HE2 TYR 23 HE2 TYR 23 7.660 9.289 -2.855 172 HH TYR 23 HOH TYR 23 7.180 9.606 0.661 173 H VAL 24 HN VAL 24 5.270 1.940 -1.611 174 HA VAL 24 HA VAL 24 5.183 -0.107 -3.657 175 HB VAL 24 HB VAL 24 3.008 0.383 -1.632 176 1HG1 VAL 24 3HG1 VAL 24 2.870 -1.511 -3.388 177 2HG1 VAL 24 1HG1 VAL 24 4.317 -2.186 -2.590 178 3HG1 VAL 24 2HG1 VAL 24 2.798 -2.032 -1.689 179 1HG2 VAL 24 2HG2 VAL 24 5.778 -0.720 -1.140 180 2HG2 VAL 24 3HG2 VAL 24 4.829 0.430 -0.166 181 3HG2 VAL 24 1HG2 VAL 24 4.387 -1.264 -0.168 182 H LEU 25 HN LEU 25 4.970 1.771 -5.247 183 HA LEU 25 HA LEU 25 2.410 1.695 -6.585 184 1HB LEU 25 2HB LEU 25 1.610 3.357 -5.140 185 2HB LEU 25 3HB LEU 25 3.195 4.133 -4.974 186 HG LEU 25 HG LEU 25 2.986 4.983 -7.341 187 1HD1 LEU 25 2HD1 LEU 25 0.146 3.908 -7.101 188 2HD1 LEU 25 3HD1 LEU 25 0.768 4.931 -8.407 189 3HD1 LEU 25 1HD1 LEU 25 1.382 3.281 -8.211 190 1HD2 LEU 25 3HD2 LEU 25 2.367 6.323 -5.340 191 2HD2 LEU 25 1HD2 LEU 25 1.460 6.738 -6.803 192 3HD2 LEU 25 2HD2 LEU 25 0.689 5.762 -5.529 193 H ASP 26 HN ASP 26 5.217 3.818 -6.093 194 HA ASP 26 HA ASP 26 5.655 4.566 -8.760 195 1HB ASP 26 2HB ASP 26 7.149 4.713 -6.210 196 2HB ASP 26 3HB ASP 26 8.234 4.416 -7.558 197 H GLN 27 HN GLN 27 7.351 1.867 -7.043 198 HA GLN 27 HA GLN 27 8.435 0.821 -9.474 199 1HB GLN 27 2HB GLN 27 9.322 0.795 -7.087 200 2HB GLN 27 3HB GLN 27 8.131 -0.464 -6.734 201 1HG GLN 27 2HG GLN 27 10.184 -1.534 -7.126 202 2HG GLN 27 3HG GLN 27 9.228 -1.828 -8.582 203 1HE2 GLN 27 2HNE GLN 27 12.729 0.318 -8.758 204 2HE2 GLN 27 1HNE GLN 27 12.150 -0.389 -7.253 205 H ALA 28 HN ALA 28 5.263 0.603 -8.203 206 HA ALA 28 HA ALA 28 4.697 -2.209 -8.974 207 1HB ALA 28 3HB ALA 28 3.619 -0.662 -7.064 208 2HB ALA 28 1HB ALA 28 2.590 -0.150 -8.428 209 3HB ALA 28 2HB ALA 28 2.680 -1.861 -7.942 210 H GLU 29 HN GLU 29 3.876 1.134 -10.032 211 HA GLU 29 HA GLU 29 2.533 0.433 -12.383 212 1HB GLU 29 2HB GLU 29 4.249 2.872 -11.738 213 2HB GLU 29 3HB GLU 29 3.241 2.718 -13.189 214 1HG GLU 29 2HG GLU 29 1.226 2.393 -11.794 215 2HG GLU 29 3HG GLU 29 2.201 2.559 -10.327 216 H GLU 30 HN GLU 30 6.063 0.828 -11.809 217 HA GLU 30 HA GLU 30 7.000 0.306 -14.390 218 1HB GLU 30 2HB GLU 30 8.184 -0.572 -11.750 219 2HB GLU 30 3HB GLU 30 9.032 -0.628 -13.291 220 1HG GLU 30 2HG GLU 30 7.862 2.006 -12.310 221 2HG GLU 30 3HG GLU 30 9.418 1.409 -11.735 222 H GLU 31 HN GLU 31 5.723 -2.127 -12.124 223 HA GLU 31 HA GLU 31 6.479 -4.300 -13.972 224 1HB GLU 31 2HB GLU 31 4.680 -4.456 -11.543 225 2HB GLU 31 3HB GLU 31 5.543 -5.767 -12.354 226 1HG GLU 31 2HG GLU 31 7.431 -3.695 -11.619 227 2HG GLU 31 3HG GLU 31 6.401 -3.959 -10.267 228 H GLY 32 HN GLY 32 3.893 -2.149 -13.345 229 1HA GLY 32 2HA GLY 32 2.406 -1.695 -15.251 230 2HA GLY 32 3HA GLY 32 2.109 -3.430 -15.402 231 H ILE 33 HN ILE 33 2.374 -2.277 -12.116 232 HA ILE 33 HA ILE 33 -0.320 -3.211 -11.696 233 HB ILE 33 HB ILE 33 1.724 -2.041 -9.840 234 1HG1 ILE 33 2HG1 ILE 33 0.876 -4.857 -10.555 235 2HG1 ILE 33 3HG1 ILE 33 2.402 -4.067 -11.031 236 1HG2 ILE 33 3HG2 ILE 33 -0.975 -3.332 -9.310 237 2HG2 ILE 33 1HG2 ILE 33 0.280 -3.195 -8.062 238 3HG2 ILE 33 2HG2 ILE 33 -0.411 -1.747 -8.761 239 1HD1 ILE 33 HD1 ILE 33 1.855 -4.663 -8.158 240 2HD1 ILE 33 HD2 ILE 33 2.704 -5.697 -9.299 241 3HD1 ILE 33 HD3 ILE 33 3.332 -4.075 -8.929 242 H ASP 34 HN ASP 34 -1.998 -2.055 -12.230 243 HA ASP 34 HA ASP 34 -2.180 0.844 -11.935 244 1HB ASP 34 2HB ASP 34 -3.252 -0.488 -13.771 245 2HB ASP 34 3HB ASP 34 -4.317 -1.225 -12.544 246 H ILE 35 HN ILE 35 -1.605 0.681 -9.493 247 HA ILE 35 HA ILE 35 -3.649 -0.367 -7.809 248 HB ILE 35 HB ILE 35 -1.102 0.625 -7.476 249 1HG1 ILE 35 2HG1 ILE 35 -2.649 -0.274 -5.124 250 2HG1 ILE 35 3HG1 ILE 35 -2.080 -1.302 -6.460 251 1HG2 ILE 35 3HG2 ILE 35 -1.965 2.920 -7.096 252 2HG2 ILE 35 1HG2 ILE 35 -2.775 2.337 -5.629 253 3HG2 ILE 35 2HG2 ILE 35 -1.018 2.288 -5.756 254 1HD1 ILE 35 HD3 ILE 35 -0.255 0.488 -4.791 255 2HD1 ILE 35 HD1 ILE 35 -0.517 -1.226 -4.529 256 3HD1 ILE 35 HD2 ILE 35 0.226 -0.675 -6.041 257 HA PRO 36 HA PRO 36 -6.550 3.011 -7.931 258 1HB PRO 36 2HB PRO 36 -7.805 2.852 -5.512 259 2HB PRO 36 3HB PRO 36 -7.929 1.599 -6.773 260 1HG PRO 36 2HG PRO 36 -6.280 1.490 -4.261 261 2HG PRO 36 3HG PRO 36 -7.143 0.223 -5.146 262 1HD PRO 36 2HD PRO 36 -4.402 0.860 -5.323 263 2HD PRO 36 3HD PRO 36 -5.246 -0.245 -6.397 264 H TYR 37 HN TYR 37 -4.525 4.294 -8.035 265 HA TYR 37 HA TYR 37 -3.901 6.045 -5.717 266 1HB TYR 37 2HB TYR 37 -1.916 5.459 -6.704 267 2HB TYR 37 3HB TYR 37 -2.628 5.175 -8.282 268 HD1 TYR 37 HD1 TYR 37 -3.219 7.084 -9.816 269 HD2 TYR 37 HD2 TYR 37 -0.766 7.552 -6.302 270 HE1 TYR 37 HE1 TYR 37 -2.338 9.223 -10.708 271 HE2 TYR 37 HE2 TYR 37 0.323 9.510 -7.343 272 HH TYR 37 HOH TYR 37 0.240 11.047 -9.027 273 H SER 38 HN SER 38 -4.262 8.286 -5.819 274 HA SER 38 HA SER 38 -5.701 9.365 -8.214 275 1HB SER 38 2HB SER 38 -6.292 10.099 -5.328 276 2HB SER 38 3HB SER 38 -7.069 10.740 -6.777 277 HG SER 38 HOG SER 38 -7.837 8.657 -5.439 278 H CYS 39 HN CYS 39 -3.079 9.786 -5.890 279 HA CYS 39 HA CYS 39 -2.001 12.082 -7.173 280 1HB CYS 39 2HB CYS 39 -2.699 13.731 -5.902 281 2HB CYS 39 3HB CYS 39 -4.023 12.722 -5.349 282 H ARG 40 HN ARG 40 -0.087 12.812 -5.626 283 HA ARG 40 HA ARG 40 0.642 10.786 -3.670 284 1HB ARG 40 2HB ARG 40 1.769 9.970 -5.708 285 2HB ARG 40 3HB ARG 40 2.681 11.477 -5.827 286 1HG ARG 40 2HG ARG 40 2.806 10.259 -3.143 287 2HG ARG 40 3HG ARG 40 3.291 9.097 -4.350 288 1HD ARG 40 2HD ARG 40 4.459 11.892 -4.413 289 2HD ARG 40 3HD ARG 40 5.028 10.722 -3.211 290 HE ARG 40 HNE ARG 40 5.087 9.304 -5.605 291 1HH1 ARG 40 2HN2 ARG 40 6.563 12.250 -4.438 292 2HH1 ARG 40 1HN2 ARG 40 8.108 11.996 -5.195 293 1HH2 ARG 40 2HN1 ARG 40 7.174 8.760 -6.478 294 2HH2 ARG 40 1HN1 ARG 40 8.402 9.984 -6.507 295 H ALA 41 HN ALA 41 -0.089 12.490 -2.382 296 HA ALA 41 HA ALA 41 1.998 14.552 -1.789 297 1HB ALA 41 1HB ALA 41 0.099 15.642 -2.932 298 2HB ALA 41 2HB ALA 41 -1.020 14.980 -1.720 299 3HB ALA 41 3HB ALA 41 0.227 16.148 -1.235 300 H GLY 42 HN GLY 42 -0.865 12.797 -0.503 301 1HA GLY 42 2HA GLY 42 -0.790 11.385 1.368 302 2HA GLY 42 3HA GLY 42 0.646 12.189 1.984 303 H SER 43 HN SER 43 -2.625 13.420 0.979 304 HA SER 43 HA SER 43 -3.394 13.957 3.725 305 1HB SER 43 2HB SER 43 -1.907 15.924 3.174 306 2HB SER 43 3HB SER 43 -3.061 16.356 1.891 307 HG SER 43 HOG SER 43 -3.589 17.445 3.803 308 H CYS 44 HN CYS 44 -4.722 12.280 2.718 309 HA CYS 44 HA CYS 44 -6.794 13.254 0.806 310 1HB CYS 44 2HB CYS 44 -4.871 10.931 0.689 311 2HB CYS 44 3HB CYS 44 -6.391 10.894 -0.223 312 H SER 45 HN SER 45 -8.337 11.214 0.528 313 HA SER 45 HA SER 45 -8.941 9.901 3.089 314 1HB SER 45 2HB SER 45 -11.057 11.612 1.721 315 2HB SER 45 3HB SER 45 -11.249 10.615 3.174 316 HG SER 45 HOG SER 45 -9.188 12.121 3.691 317 H SER 46 HN SER 46 -7.771 8.745 1.061 318 HA SER 46 HA SER 46 -9.660 6.879 -0.032 319 1HB SER 46 2HB SER 46 -9.847 8.819 -1.657 320 2HB SER 46 3HB SER 46 -8.095 8.713 -1.922 321 HG SER 46 HOG SER 46 -10.140 6.907 -2.683 322 H CYS 47 HN CYS 47 -7.713 6.187 -2.105 323 HA CYS 47 HA CYS 47 -5.942 4.741 -2.329 324 1HB CYS 47 2HB CYS 47 -3.921 5.974 -2.207 325 2HB CYS 47 3HB CYS 47 -5.242 6.932 -2.857 326 H ALA 48 HN ALA 48 -6.691 3.126 -0.677 327 HA ALA 48 HA ALA 48 -4.425 2.705 1.174 328 1HB ALA 48 2HB ALA 48 -7.331 2.706 2.059 329 2HB ALA 48 3HB ALA 48 -5.955 2.184 3.058 330 3HB ALA 48 1HB ALA 48 -6.085 3.877 2.534 331 H GLY 49 HN GLY 49 -4.430 0.621 2.182 332 1HA GLY 49 2HA GLY 49 -5.823 -1.523 0.755 333 2HA GLY 49 3HA GLY 49 -4.054 -1.566 0.794 334 H LYS 50 HN LYS 50 -5.551 -3.606 1.985 335 HA LYS 50 HA LYS 50 -5.415 -3.156 4.855 336 1HB LYS 50 2HB LYS 50 -7.296 -4.223 3.441 337 2HB LYS 50 3HB LYS 50 -6.319 -5.691 3.474 338 1HG LYS 50 2HG LYS 50 -6.481 -5.870 5.865 339 2HG LYS 50 3HG LYS 50 -6.998 -4.176 6.012 340 1HD LYS 50 2HD LYS 50 -8.982 -4.760 4.550 341 2HD LYS 50 3HD LYS 50 -8.614 -6.467 4.858 342 1HE LYS 50 2HE LYS 50 -8.926 -6.194 7.252 343 2HE LYS 50 3HE LYS 50 -8.903 -4.456 7.153 344 1HZ LYS 50 3HNZ LYS 50 -11.056 -5.944 5.813 345 2HZ LYS 50 1HNZ LYS 50 -11.164 -5.327 7.349 346 3HZ LYS 50 2HNZ LYS 50 -10.933 -4.329 6.074 347 H VAL 51 HN VAL 51 -3.485 -3.622 5.829 348 HA VAL 51 HA VAL 51 -1.364 -5.214 4.669 349 HB VAL 51 HB VAL 51 -1.911 -4.320 7.553 350 1HG1 VAL 51 1HG1 VAL 51 0.667 -5.339 6.286 351 2HG1 VAL 51 2HG1 VAL 51 0.504 -4.660 7.922 352 3HG1 VAL 51 3HG1 VAL 51 -0.304 -6.175 7.520 353 1HG2 VAL 51 3HG2 VAL 51 -0.159 -3.021 5.429 354 2HG2 VAL 51 1HG2 VAL 51 -1.692 -2.384 6.071 355 3HG2 VAL 51 2HG2 VAL 51 -0.285 -2.500 7.124 356 H VAL 52 HN VAL 52 -1.536 -7.386 4.419 357 HA VAL 52 HA VAL 52 -3.302 -8.986 6.195 358 HB VAL 52 HB VAL 52 -1.652 -9.646 3.760 359 1HG1 VAL 52 3HG1 VAL 52 -3.620 -11.402 5.292 360 2HG1 VAL 52 1HG1 VAL 52 -2.890 -11.810 3.726 361 3HG1 VAL 52 2HG1 VAL 52 -1.868 -11.671 5.156 362 1HG2 VAL 52 3HG2 VAL 52 -4.643 -9.239 4.141 363 2HG2 VAL 52 1HG2 VAL 52 -3.531 -8.271 3.148 364 3HG2 VAL 52 2HG2 VAL 52 -3.913 -9.934 2.684 365 H SER 53 HN SER 53 0.191 -8.682 5.240 366 HA SER 53 HA SER 53 1.022 -9.548 7.869 367 1HB SER 53 2HB SER 53 0.413 -11.746 6.759 368 2HB SER 53 3HB SER 53 1.684 -11.431 5.563 369 HG SER 53 HOG SER 53 2.405 -12.697 7.381 370 H GLY 54 HN GLY 54 3.488 -9.986 7.745 371 1HA GLY 54 2HA GLY 54 5.598 -9.024 7.395 372 2HA GLY 54 3HA GLY 54 5.020 -8.248 5.936 373 H SER 55 HN SER 55 6.444 -6.484 7.047 374 HA SER 55 HA SER 55 4.611 -4.633 8.423 375 1HB SER 55 2HB SER 55 7.517 -4.816 9.260 376 2HB SER 55 3HB SER 55 6.173 -3.992 10.059 377 HG SER 55 HOG SER 55 6.469 -6.809 9.805 378 H ILE 56 HN ILE 56 5.141 -2.434 7.901 379 HA ILE 56 HA ILE 56 7.177 -1.837 5.909 380 HB ILE 56 HB ILE 56 5.495 -0.879 4.395 381 1HG1 ILE 56 2HG1 ILE 56 3.393 -2.228 6.113 382 2HG1 ILE 56 3HG1 ILE 56 3.651 -0.483 6.012 383 1HG2 ILE 56 1HG2 ILE 56 6.323 -3.365 4.277 384 2HG2 ILE 56 2HG2 ILE 56 4.712 -3.763 4.841 385 3HG2 ILE 56 3HG2 ILE 56 4.936 -2.895 3.294 386 1HD1 ILE 56 HD3 ILE 56 2.851 -2.241 3.646 387 2HD1 ILE 56 HD1 ILE 56 1.771 -1.278 4.644 388 3HD1 ILE 56 HD2 ILE 56 3.028 -0.474 3.671 389 H ASP 57 HN ASP 57 7.118 0.589 5.532 390 HA ASP 57 HA ASP 57 6.220 2.015 8.010 391 1HB ASP 57 2HB ASP 57 8.656 1.751 8.004 392 2HB ASP 57 3HB ASP 57 8.745 2.365 6.340 393 H GLN 58 HN GLN 58 4.508 3.220 7.430 394 HA GLN 58 HA GLN 58 4.674 4.851 4.927 395 1HB GLN 58 2HB GLN 58 2.163 5.021 5.278 396 2HB GLN 58 3HB GLN 58 2.753 3.423 4.814 397 1HG GLN 58 2HG GLN 58 2.521 2.597 7.025 398 2HG GLN 58 3HG GLN 58 2.396 4.226 7.708 399 1HE2 GLN 58 2HNE GLN 58 -0.934 2.602 7.719 400 2HE2 GLN 58 1HNE GLN 58 0.656 2.265 8.363 401 H SER 59 HN SER 59 6.113 5.481 7.585 402 HA SER 59 HA SER 59 4.481 7.519 8.814 403 1HB SER 59 2HB SER 59 6.338 7.978 10.190 404 2HB SER 59 3HB SER 59 6.291 6.218 9.969 405 HG SER 59 HOG SER 59 7.909 7.946 8.412 406 H ASP 60 HN ASP 60 3.973 8.380 6.636 407 HA ASP 60 HA ASP 60 5.670 10.698 5.846 408 1HB ASP 60 2HB ASP 60 6.523 8.615 4.718 409 2HB ASP 60 3HB ASP 60 4.947 8.421 3.947 410 H GLN 61 HN GLN 61 2.637 8.802 5.309 411 HA GLN 61 HA GLN 61 1.307 10.884 3.881 412 1HB GLN 61 2HB GLN 61 -0.378 9.398 3.710 413 2HB GLN 61 3HB GLN 61 0.950 8.269 4.018 414 1HG GLN 61 2HG GLN 61 -1.306 9.103 5.863 415 2HG GLN 61 3HG GLN 61 -0.960 7.527 5.182 416 1HE2 GLN 61 2HNE GLN 61 0.062 6.944 8.542 417 2HE2 GLN 61 1HNE GLN 61 -1.367 6.945 7.527 418 H SER 62 HN SER 62 -0.911 11.652 4.765 419 HA SER 62 HA SER 62 -1.126 11.699 7.706 420 1HB SER 62 2HB SER 62 -0.041 13.866 6.749 421 2HB SER 62 3HB SER 62 -1.645 14.229 6.100 422 HG SER 62 HOG SER 62 -0.918 13.733 8.816 423 H PHE 63 HN PHE 63 -2.659 10.019 7.302 424 HA PHE 63 HA PHE 63 -5.285 11.056 6.950 425 1HB PHE 63 2HB PHE 63 -5.068 10.793 4.609 426 2HB PHE 63 3HB PHE 63 -4.288 9.216 4.775 427 HD1 PHE 63 HD2 PHE 63 -7.403 10.139 6.688 428 HD2 PHE 63 HD1 PHE 63 -5.804 8.174 3.174 429 HE1 PHE 63 HE2 PHE 63 -9.356 8.668 6.614 430 HE2 PHE 63 HE1 PHE 63 -7.826 6.792 3.064 431 HZ PHE 63 HZ PHE 63 -9.606 7.004 4.774 432 H LEU 64 HN LEU 64 -3.915 7.665 6.562 433 HA LEU 64 HA LEU 64 -6.061 6.637 7.873 434 1HB LEU 64 2HB LEU 64 -3.273 5.475 7.637 435 2HB LEU 64 3HB LEU 64 -4.508 4.682 8.576 436 HG LEU 64 HG LEU 64 -6.059 4.749 6.564 437 1HD1 LEU 64 1HD1 LEU 64 -3.414 5.391 5.196 438 2HD1 LEU 64 2HD1 LEU 64 -4.858 4.782 4.361 439 3HD1 LEU 64 3HD1 LEU 64 -4.904 6.365 5.150 440 1HD2 LEU 64 2HD2 LEU 64 -3.482 3.155 6.567 441 2HD2 LEU 64 3HD2 LEU 64 -4.987 2.780 7.439 442 3HD2 LEU 64 1HD2 LEU 64 -4.957 2.723 5.659 443 H ASP 65 HN ASP 65 -6.707 6.154 9.899 444 HA ASP 65 HA ASP 65 -5.333 7.570 12.053 445 1HB ASP 65 2HB ASP 65 -7.774 5.776 12.240 446 2HB ASP 65 3HB ASP 65 -7.258 7.000 13.410 447 H ASP 66 HN ASP 66 -5.069 6.452 14.206 448 HA ASP 66 HA ASP 66 -3.221 4.296 14.124 449 1HB ASP 66 2HB ASP 66 -5.042 5.320 16.361 450 2HB ASP 66 3HB ASP 66 -3.784 4.097 16.574 451 H GLU 67 HN GLU 67 -6.728 4.476 14.673 452 HA GLU 67 HA GLU 67 -7.296 1.840 15.279 453 1HB GLU 67 2HB GLU 67 -9.219 3.289 13.434 454 2HB GLU 67 3HB GLU 67 -9.497 2.387 14.917 455 1HG GLU 67 2HG GLU 67 -8.345 4.382 16.090 456 2HG GLU 67 3HG GLU 67 -8.590 5.235 14.548 457 H GLN 68 HN GLN 68 -7.572 3.333 12.012 458 HA GLN 68 HA GLN 68 -7.963 1.017 10.576 459 1HB GLN 68 2HB GLN 68 -6.565 3.570 9.762 460 2HB GLN 68 3HB GLN 68 -7.166 2.349 8.629 461 1HG GLN 68 2HG GLN 68 -9.422 2.598 9.295 462 2HG GLN 68 3HG GLN 68 -8.998 3.644 10.654 463 1HE2 GLN 68 2HNE GLN 68 -10.147 5.742 7.826 464 2HE2 GLN 68 1HNE GLN 68 -10.857 4.347 8.603 465 H MET 69 HN MET 69 -4.731 2.603 11.256 466 HA MET 69 HA MET 69 -3.163 0.689 9.928 467 1HB MET 69 2HB MET 69 -2.558 2.254 12.455 468 2HB MET 69 3HB MET 69 -1.396 1.310 11.517 469 1HG MET 69 2HG MET 69 -1.974 2.745 9.490 470 2HG MET 69 3HG MET 69 -2.976 3.683 10.550 471 1HE MET 69 HE2 MET 69 -1.658 5.736 9.589 472 2HE MET 69 HE3 MET 69 -2.114 5.912 11.303 473 3HE MET 69 HE1 MET 69 -0.510 6.447 10.760 474 H ASP 70 HN ASP 70 -4.095 0.652 13.400 475 HA ASP 70 HA ASP 70 -2.884 -1.810 14.087 476 1HB ASP 70 2HB ASP 70 -3.760 -0.061 15.684 477 2HB ASP 70 3HB ASP 70 -5.402 -0.527 15.246 478 H ALA 71 HN ALA 71 -6.066 -0.998 12.893 479 HA ALA 71 HA ALA 71 -7.357 -3.535 13.095 480 1HB ALA 71 3HB ALA 71 -7.834 -1.148 11.282 481 2HB ALA 71 1HB ALA 71 -8.981 -2.492 11.493 482 3HB ALA 71 2HB ALA 71 -8.584 -1.429 12.863 483 H GLY 72 HN GLY 72 -5.004 -2.307 10.812 484 1HA GLY 72 2HA GLY 72 -3.766 -4.091 9.719 485 2HA GLY 72 3HA GLY 72 -5.264 -4.836 9.224 486 H TYR 73 HN TYR 73 -4.702 -1.265 9.060 487 HA TYR 73 HA TYR 73 -4.797 -1.563 6.082 488 1HB TYR 73 2HB TYR 73 -5.965 0.586 7.810 489 2HB TYR 73 3HB TYR 73 -5.913 0.584 6.053 490 HD1 TYR 73 HD2 TYR 73 -6.986 -1.281 4.735 491 HD2 TYR 73 HD1 TYR 73 -7.787 -0.616 8.915 492 HE1 TYR 73 HE2 TYR 73 -9.162 -2.379 4.496 493 HE2 TYR 73 HE1 TYR 73 -9.996 -1.655 8.662 494 HH TYR 73 HOH TYR 73 -11.669 -1.908 6.392 495 H VAL 74 HN VAL 74 -3.865 0.136 4.787 496 HA VAL 74 HA VAL 74 -1.774 1.806 5.969 497 HB VAL 74 HB VAL 74 -0.719 -0.403 5.642 498 1HG1 VAL 74 1HG1 VAL 74 -2.060 -1.282 3.790 499 2HG1 VAL 74 2HG1 VAL 74 -1.345 -0.088 2.681 500 3HG1 VAL 74 3HG1 VAL 74 -0.335 -1.335 3.429 501 1HG2 VAL 74 3HG2 VAL 74 0.232 2.075 4.368 502 2HG2 VAL 74 1HG2 VAL 74 1.059 0.923 5.416 503 3HG2 VAL 74 2HG2 VAL 74 0.932 0.633 3.666 504 H LEU 75 HN LEU 75 -1.232 3.567 4.546 505 HA LEU 75 HA LEU 75 -3.093 4.221 2.436 506 1HB LEU 75 2HB LEU 75 -1.524 5.745 3.924 507 2HB LEU 75 3HB LEU 75 -0.305 5.359 2.720 508 HG LEU 75 HG LEU 75 -2.443 6.107 1.114 509 1HD1 LEU 75 2HD1 LEU 75 -3.800 6.773 3.080 510 2HD1 LEU 75 3HD1 LEU 75 -2.539 7.948 3.533 511 3HD1 LEU 75 1HD1 LEU 75 -3.431 8.134 2.013 512 1HD2 LEU 75 1HD2 LEU 75 -0.223 7.814 2.206 513 2HD2 LEU 75 2HD2 LEU 75 -0.281 6.816 0.765 514 3HD2 LEU 75 3HD2 LEU 75 -1.297 8.265 0.857 515 H THR 76 HN THR 76 -2.506 4.242 0.066 516 HA THR 76 HA THR 76 -0.348 2.238 -0.598 517 HB THR 76 HB THR 76 -2.673 1.448 -0.895 518 HG1 THR 76 HG1 THR 76 -0.931 1.692 -3.098 519 1HG2 THR 76 2HG2 THR 76 -3.556 3.662 -1.817 520 2HG2 THR 76 3HG2 THR 76 -2.763 3.282 -3.334 521 3HG2 THR 76 1HG2 THR 76 -4.035 2.208 -2.709 522 H CYS 77 HN CYS 77 -0.317 5.317 -0.512 523 HA CYS 77 HA CYS 77 0.923 5.734 -3.206 524 1HB CYS 77 2HB CYS 77 -0.240 7.660 -1.202 525 2HB CYS 77 3HB CYS 77 0.712 8.158 -2.592 526 H HIS 78 HN HIS 78 1.368 6.301 0.284 527 HA HIS 78 HA HIS 78 4.296 6.630 -0.083 528 1HB HIS 78 2HB HIS 78 2.593 7.814 2.135 529 2HB HIS 78 3HB HIS 78 4.303 8.085 1.794 530 HD1 HIS 78 HND HIS 78 0.850 8.801 0.191 531 HD2 HIS 78 HD HIS 78 4.842 10.148 0.211 532 HE1 HIS 78 HE HIS 78 0.907 10.903 -1.186 533 H ALA 79 HN ALA 79 4.676 4.341 0.177 534 HA ALA 79 HA ALA 79 4.713 3.514 2.988 535 1HB ALA 79 1HB ALA 79 3.231 1.930 0.839 536 2HB ALA 79 2HB ALA 79 3.712 1.286 2.425 537 3HB ALA 79 3HB ALA 79 2.538 2.614 2.323 538 H TYR 80 HN TYR 80 6.641 2.539 3.344 539 HA TYR 80 HA TYR 80 8.310 1.665 1.034 540 1HB TYR 80 2HB TYR 80 8.970 2.594 3.854 541 2HB TYR 80 3HB TYR 80 10.131 1.897 2.737 542 HD1 TYR 80 HD1 TYR 80 10.528 3.017 0.484 543 HD2 TYR 80 HD2 TYR 80 8.398 4.937 3.698 544 HE1 TYR 80 HE1 TYR 80 10.863 5.219 -0.609 545 HE2 TYR 80 HE2 TYR 80 8.772 7.138 2.634 546 HH TYR 80 HOH TYR 80 9.557 8.248 0.762 547 HA PRO 81 HA PRO 81 7.428 -2.337 2.848 548 1HB PRO 81 2HB PRO 81 8.851 -3.860 0.963 549 2HB PRO 81 3HB PRO 81 7.154 -3.325 0.848 550 1HG PRO 81 2HG PRO 81 9.511 -2.285 -0.634 551 2HG PRO 81 3HG PRO 81 7.759 -2.078 -0.921 552 1HD PRO 81 2HD PRO 81 9.500 -0.157 0.195 553 2HD PRO 81 3HD PRO 81 7.741 -0.082 -0.059 554 H THR 82 HN THR 82 8.554 -2.923 4.771 555 HA THR 82 HA THR 82 11.504 -2.650 4.721 556 HB THR 82 HB THR 82 11.287 -2.989 7.164 557 HG1 THR 82 HG1 THR 82 8.838 -3.764 6.680 558 1HG2 THR 82 1HG2 THR 82 11.442 -0.754 6.091 559 2HG2 THR 82 2HG2 THR 82 9.673 -0.700 5.950 560 3HG2 THR 82 3HG2 THR 82 10.430 -0.717 7.553 561 H SER 83 HN SER 83 9.228 -5.119 4.154 562 HA SER 83 HA SER 83 11.261 -7.082 3.931 563 1HB SER 83 2HB SER 83 9.048 -7.558 5.990 564 2HB SER 83 3HB SER 83 10.239 -8.763 5.473 565 HG SER 83 HOG SER 83 11.611 -6.653 6.263 566 H ASP 84 HN ASP 84 9.843 -9.301 3.450 567 HA ASP 84 HA ASP 84 8.079 -8.913 1.226 568 1HB ASP 84 2HB ASP 84 7.558 -11.298 1.718 569 2HB ASP 84 3HB ASP 84 9.270 -10.954 1.445 570 H VAL 85 HN VAL 85 6.172 -7.935 1.480 571 HA VAL 85 HA VAL 85 4.511 -8.354 3.913 572 HB VAL 85 HB VAL 85 5.337 -6.090 4.021 573 1HG1 VAL 85 2HG1 VAL 85 4.981 -6.141 1.097 574 2HG1 VAL 85 3HG1 VAL 85 4.565 -4.607 1.852 575 3HG1 VAL 85 1HG1 VAL 85 6.175 -5.305 2.097 576 1HG2 VAL 85 2HG2 VAL 85 2.444 -6.188 3.082 577 2HG2 VAL 85 3HG2 VAL 85 3.109 -6.044 4.726 578 3HG2 VAL 85 1HG2 VAL 85 3.204 -4.709 3.603 579 H VAL 86 HN VAL 86 2.365 -8.574 3.639 580 HA VAL 86 HA VAL 86 1.386 -8.984 0.853 581 HB VAL 86 HB VAL 86 0.506 -10.470 3.369 582 1HG1 VAL 86 3HG1 VAL 86 -0.282 -10.706 0.448 583 2HG1 VAL 86 1HG1 VAL 86 -0.824 -11.820 1.715 584 3HG1 VAL 86 2HG1 VAL 86 -1.333 -10.121 1.709 585 1HG2 VAL 86 1HG2 VAL 86 2.146 -11.406 0.957 586 2HG2 VAL 86 2HG2 VAL 86 2.707 -11.323 2.638 587 3HG2 VAL 86 3HG2 VAL 86 1.457 -12.488 2.184 588 H ILE 87 HN ILE 87 -0.086 -7.432 0.396 589 HA ILE 87 HA ILE 87 -1.865 -6.507 2.526 590 HB ILE 87 HB ILE 87 -0.303 -4.833 2.575 591 1HG1 ILE 87 2HG1 ILE 87 -2.681 -3.968 1.902 592 2HG1 ILE 87 3HG1 ILE 87 -1.309 -2.866 1.953 593 1HG2 ILE 87 3HG2 ILE 87 0.207 -5.059 -0.312 594 2HG2 ILE 87 1HG2 ILE 87 0.739 -3.679 0.682 595 3HG2 ILE 87 2HG2 ILE 87 1.312 -5.316 1.043 596 1HD1 ILE 87 HD3 ILE 87 -1.977 -4.324 -0.586 597 2HD1 ILE 87 HD1 ILE 87 -2.751 -2.797 -0.184 598 3HD1 ILE 87 HD2 ILE 87 -1.002 -2.862 -0.354 599 H GLU 88 HN GLU 88 -3.896 -5.737 1.678 600 HA GLU 88 HA GLU 88 -4.527 -6.615 -1.116 601 1HB GLU 88 2HB GLU 88 -6.413 -5.717 1.035 602 2HB GLU 88 3HB GLU 88 -6.831 -6.562 -0.474 603 1HG GLU 88 2HG GLU 88 -5.936 -8.629 0.505 604 2HG GLU 88 3HG GLU 88 -5.404 -7.729 1.940 605 H THR 89 HN THR 89 -5.003 -5.025 -2.631 606 HA THR 89 HA THR 89 -4.817 -2.176 -1.668 607 HB THR 89 HB THR 89 -4.423 -1.530 -4.018 608 HG1 THR 89 HG1 THR 89 -4.901 -4.269 -4.563 609 1HG2 THR 89 2HG2 THR 89 -2.750 -3.893 -3.129 610 2HG2 THR 89 3HG2 THR 89 -2.377 -2.757 -4.440 611 3HG2 THR 89 1HG2 THR 89 -2.496 -2.175 -2.770 612 H HIS 90 HN HIS 90 -6.425 -0.681 -3.017 613 HA HIS 90 HA HIS 90 -8.540 -0.020 -3.542 614 1HB HIS 90 2HB HIS 90 -9.276 -2.958 -3.911 615 2HB HIS 90 3HB HIS 90 -10.170 -1.551 -4.453 616 HD1 HIS 90 HND HIS 90 -6.392 -2.285 -5.094 617 HD2 HIS 90 HD HIS 90 -10.061 -1.643 -7.047 618 HE1 HIS 90 HE HIS 90 -5.858 -2.217 -7.526 619 H LYS 91 HN LYS 91 -7.918 0.117 -0.968 620 HA LYS 91 HA LYS 91 -10.420 -0.745 0.443 621 1HB LYS 91 2HB LYS 91 -7.632 -0.512 1.608 622 2HB LYS 91 3HB LYS 91 -9.058 -1.146 2.406 623 1HG LYS 91 2HG LYS 91 -7.788 -2.408 -0.073 624 2HG LYS 91 3HG LYS 91 -7.555 -2.950 1.580 625 1HD LYS 91 2HD LYS 91 -9.737 -3.443 1.938 626 2HD LYS 91 3HD LYS 91 -10.305 -2.823 0.392 627 1HE LYS 91 2HE LYS 91 -9.598 -4.583 -0.864 628 2HE LYS 91 3HE LYS 91 -8.193 -4.850 0.149 629 1HZ LYS 91 2HNZ LYS 91 -9.682 -5.754 1.857 630 2HZ LYS 91 3HNZ LYS 91 -10.958 -5.612 0.862 631 3HZ LYS 91 1HNZ LYS 91 -9.652 -6.671 0.547 632 H GLU 92 HN GLU 92 -10.174 1.690 -0.936 633 HA GLU 92 HA GLU 92 -9.930 3.805 1.074 634 1HB GLU 92 2HB GLU 92 -9.672 4.703 -0.975 635 2HB GLU 92 3HB GLU 92 -10.655 3.529 -1.790 636 1HG GLU 92 2HG GLU 92 -12.328 5.313 -0.110 637 2HG GLU 92 3HG GLU 92 -11.371 6.169 -1.301 638 H GLU 93 HN GLU 93 -12.912 2.653 -0.636 639 HA GLU 93 HA GLU 93 -14.454 3.043 1.724 640 1HB GLU 93 2HB GLU 93 -14.963 1.987 -1.044 641 2HB GLU 93 3HB GLU 93 -16.130 1.517 0.183 642 1HG GLU 93 2HG GLU 93 -16.478 3.887 0.804 643 2HG GLU 93 3HG GLU 93 -15.381 4.370 -0.507 644 H GLU 94 HN GLU 94 -12.269 1.208 2.381 645 HA GLU 94 HA GLU 94 -14.063 -0.597 3.897 646 1HB GLU 94 2HB GLU 94 -11.267 -1.324 2.914 647 2HB GLU 94 3HB GLU 94 -12.115 -2.103 4.242 648 1HG GLU 94 2HG GLU 94 -13.976 -2.697 2.618 649 2HG GLU 94 3HG GLU 94 -12.843 -2.258 1.337 650 H ILE 95 HN ILE 95 -12.047 2.166 3.994 651 HA ILE 95 HA ILE 95 -11.327 1.543 6.804 652 HB ILE 95 HB ILE 95 -9.483 3.041 6.641 653 1HG1 ILE 95 2HG1 ILE 95 -10.062 3.243 3.675 654 2HG1 ILE 95 3HG1 ILE 95 -10.393 4.531 4.851 655 1HG2 ILE 95 3HG2 ILE 95 -9.288 0.686 6.253 656 2HG2 ILE 95 1HG2 ILE 95 -9.454 0.864 4.505 657 3HG2 ILE 95 2HG2 ILE 95 -8.045 1.541 5.349 658 1HD1 ILE 95 HD2 ILE 95 -7.618 3.417 4.421 659 2HD1 ILE 95 HD3 ILE 95 -8.331 4.743 3.502 660 3HD1 ILE 95 HD1 ILE 95 -8.115 4.893 5.272 661 H VAL 96 HN VAL 96 -12.803 3.897 4.637 662 HA VAL 96 HA VAL 96 -13.361 5.705 6.898 663 HB VAL 96 HB VAL 96 -14.431 7.122 5.270 664 1HG1 VAL 96 2HG1 VAL 96 -11.917 7.180 5.587 665 2HG1 VAL 96 3HG1 VAL 96 -11.773 6.203 4.108 666 3HG1 VAL 96 1HG1 VAL 96 -12.483 7.819 4.035 667 1HG2 VAL 96 2HG2 VAL 96 -15.390 5.445 3.727 668 2HG2 VAL 96 3HG2 VAL 96 -14.413 6.638 2.857 669 3HG2 VAL 96 1HG2 VAL 96 -13.763 5.019 3.160 No H/Q in entry = 668 Start of MODEL 2 1 1H ALA 1 1HN ALA 1 17.419 -2.821 -0.034 2 2H ALA 1 2HN ALA 1 16.405 -3.058 -1.223 3 2H ALA 1 3HN ALA 1 16.405 -3.058 -1.223 4 HA ALA 1 HA ALA 1 18.081 -5.263 -0.643 5 1HB ALA 1 1HB ALA 1 17.677 -4.291 1.598 6 2HB ALA 1 2HB ALA 1 15.930 -4.480 1.326 7 3HB ALA 1 3HB ALA 1 16.977 -5.909 1.395 8 H THR 2 HN THR 2 14.708 -4.067 -1.078 9 HA THR 2 HA THR 2 13.360 -4.555 -2.800 10 HB THR 2 HB THR 2 15.455 -6.446 -3.836 11 HG1 THR 2 HG1 THR 2 15.341 -3.701 -4.415 12 1HG2 THR 2 2HG2 THR 2 13.301 -6.487 -5.044 13 2HG2 THR 2 3HG2 THR 2 13.373 -4.723 -5.241 14 3HG2 THR 2 1HG2 THR 2 14.586 -5.757 -6.024 15 H TYR 3 HN TYR 3 11.674 -5.395 -1.660 16 HA TYR 3 HA TYR 3 11.853 -8.270 -0.877 17 1HB TYR 3 2HB TYR 3 10.086 -6.053 0.176 18 2HB TYR 3 3HB TYR 3 10.193 -7.689 0.798 19 HD1 TYR 3 HD1 TYR 3 12.939 -8.361 1.176 20 HD2 TYR 3 HD2 TYR 3 11.108 -4.475 1.553 21 HE1 TYR 3 HE1 TYR 3 14.819 -7.602 2.599 22 HE2 TYR 3 HE2 TYR 3 12.887 -3.802 3.128 23 HH TYR 3 HOH TYR 3 14.948 -4.305 3.971 24 H ASN 4 HN ASN 4 10.007 -9.568 -0.898 25 HA ASN 4 HA ASN 4 8.398 -9.596 -3.256 26 1HB ASN 4 2HB ASN 4 9.266 -11.645 -2.288 27 2HB ASN 4 3HB ASN 4 8.672 -11.208 -0.683 28 1HD2 ASN 4 2HND ASN 4 5.606 -12.136 -3.248 29 2HD2 ASN 4 1HND ASN 4 6.619 -10.695 -3.490 30 H VAL 5 HN VAL 5 6.889 -7.973 -3.313 31 HA VAL 5 HA VAL 5 5.117 -7.632 -0.932 32 HB VAL 5 HB VAL 5 5.511 -5.761 -3.270 33 1HG1 VAL 5 1HG1 VAL 5 3.844 -5.658 -0.707 34 2HG1 VAL 5 2HG1 VAL 5 4.203 -4.236 -1.693 35 3HG1 VAL 5 3HG1 VAL 5 3.257 -5.569 -2.369 36 1HG2 VAL 5 1HG2 VAL 5 6.614 -5.853 -0.445 37 2HG2 VAL 5 2HG2 VAL 5 7.499 -5.701 -1.967 38 3HG2 VAL 5 3HG2 VAL 5 6.515 -4.345 -1.374 39 H LYS 6 HN LYS 6 3.260 -8.849 -1.087 40 HA LYS 6 HA LYS 6 2.051 -9.288 -3.757 41 1HB LYS 6 2HB LYS 6 2.068 -11.117 -2.160 42 2HB LYS 6 3HB LYS 6 1.151 -10.143 -1.017 43 1HG LYS 6 2HG LYS 6 -0.728 -9.913 -2.672 44 2HG LYS 6 3HG LYS 6 0.210 -10.816 -3.849 45 1HD LYS 6 2HD LYS 6 -0.972 -11.886 -1.239 46 2HD LYS 6 3HD LYS 6 -1.452 -12.202 -2.887 47 1HE LYS 6 2HE LYS 6 1.026 -12.928 -3.231 48 2HE LYS 6 3HE LYS 6 1.100 -13.088 -1.479 49 1HZ LYS 6 3HNZ LYS 6 -0.857 -14.369 -3.323 50 2HZ LYS 6 1HNZ LYS 6 0.527 -15.102 -2.811 51 3HZ LYS 6 2HNZ LYS 6 -0.691 -14.740 -1.733 52 H LEU 7 HN LEU 7 0.578 -8.027 -4.626 53 HA LEU 7 HA LEU 7 -1.158 -6.331 -2.871 54 1HB LEU 7 2HB LEU 7 -0.496 -6.189 -5.832 55 2HB LEU 7 3HB LEU 7 -1.504 -5.055 -4.971 56 HG LEU 7 HG LEU 7 1.484 -5.508 -4.644 57 1HD1 LEU 7 2HD1 LEU 7 -0.187 -3.295 -5.847 58 2HD1 LEU 7 3HD1 LEU 7 1.555 -3.126 -5.504 59 3HD1 LEU 7 1HD1 LEU 7 0.990 -4.390 -6.612 60 1HD2 LEU 7 1HD2 LEU 7 -0.377 -3.755 -3.010 61 2HD2 LEU 7 2HD2 LEU 7 0.873 -4.917 -2.492 62 3HD2 LEU 7 3HD2 LEU 7 1.347 -3.381 -3.202 63 H ILE 8 HN ILE 8 -2.836 -7.561 -2.248 64 HA ILE 8 HA ILE 8 -4.133 -9.337 -4.223 65 HB ILE 8 HB ILE 8 -4.740 -8.540 -1.377 66 1HG1 ILE 8 2HG1 ILE 8 -4.054 -11.287 -2.358 67 2HG1 ILE 8 3HG1 ILE 8 -2.811 -10.101 -1.906 68 1HG2 ILE 8 2HG2 ILE 8 -6.269 -10.420 -3.227 69 2HG2 ILE 8 3HG2 ILE 8 -6.548 -10.288 -1.480 70 3HG2 ILE 8 1HG2 ILE 8 -6.886 -8.912 -2.524 71 1HD1 ILE 8 HD1 ILE 8 -4.997 -11.045 -0.027 72 2HD1 ILE 8 HD2 ILE 8 -3.313 -11.594 -0.044 73 3HD1 ILE 8 HD3 ILE 8 -3.679 -9.898 0.321 74 H THR 9 HN THR 9 -4.723 -8.147 -5.895 75 HA THR 9 HA THR 9 -6.364 -5.738 -5.578 76 HB THR 9 HB THR 9 -6.303 -5.812 -8.015 77 HG1 THR 9 HG1 THR 9 -4.739 -7.783 -8.620 78 1HG2 THR 9 3HG2 THR 9 -4.289 -4.895 -6.838 79 2HG2 THR 9 1HG2 THR 9 -3.534 -6.499 -6.924 80 3HG2 THR 9 2HG2 THR 9 -3.891 -5.600 -8.411 81 HA PRO 10 HA PRO 10 -10.172 -8.037 -6.345 82 1HB PRO 10 2HB PRO 10 -11.240 -6.139 -8.171 83 2HB PRO 10 3HB PRO 10 -11.697 -6.414 -6.463 84 1HG PRO 10 2HG PRO 10 -10.304 -4.290 -7.678 85 2HG PRO 10 3HG PRO 10 -10.496 -4.490 -5.913 86 1HD PRO 10 2HD PRO 10 -8.159 -4.858 -7.542 87 2HD PRO 10 3HD PRO 10 -8.315 -4.863 -5.807 88 H ASP 11 HN ASP 11 -8.099 -6.833 -8.936 89 HA ASP 11 HA ASP 11 -9.077 -8.276 -11.162 90 1HB ASP 11 2HB ASP 11 -6.507 -6.941 -10.380 91 2HB ASP 11 3HB ASP 11 -6.380 -8.239 -11.565 92 H GLY 12 HN GLY 12 -6.763 -9.108 -8.613 93 1HA GLY 12 2HA GLY 12 -7.344 -11.331 -7.644 94 2HA GLY 12 3HA GLY 12 -7.123 -12.035 -9.257 95 H GLU 13 HN GLU 13 -5.415 -9.952 -6.946 96 HA GLU 13 HA GLU 13 -3.345 -9.898 -6.082 97 1HB GLU 13 2HB GLU 13 -3.325 -12.789 -7.017 98 2HB GLU 13 3HB GLU 13 -1.935 -11.985 -6.292 99 1HG GLU 13 2HG GLU 13 -3.009 -11.522 -4.312 100 2HG GLU 13 3HG GLU 13 -4.625 -11.977 -4.919 101 H VAL 14 HN VAL 14 -1.384 -9.195 -6.478 102 HA VAL 14 HA VAL 14 0.054 -10.114 -8.813 103 HB VAL 14 HB VAL 14 -1.183 -8.340 -9.791 104 1HG1 VAL 14 3HG1 VAL 14 -1.534 -6.895 -7.792 105 2HG1 VAL 14 1HG1 VAL 14 0.112 -6.278 -8.018 106 3HG1 VAL 14 2HG1 VAL 14 -1.106 -6.056 -9.284 107 1HG2 VAL 14 1HG2 VAL 14 1.145 -8.841 -10.518 108 2HG2 VAL 14 2HG2 VAL 14 0.598 -7.204 -10.894 109 3HG2 VAL 14 3HG2 VAL 14 1.705 -7.478 -9.523 110 H GLU 15 HN GLU 15 1.650 -10.950 -7.658 111 HA GLU 15 HA GLU 15 3.013 -9.437 -5.591 112 1HB GLU 15 2HB GLU 15 3.530 -12.125 -6.931 113 2HB GLU 15 3HB GLU 15 4.734 -11.356 -5.877 114 1HG GLU 15 2HG GLU 15 3.169 -11.177 -4.067 115 2HG GLU 15 3HG GLU 15 1.868 -11.907 -5.054 116 H PHE 16 HN PHE 16 4.866 -8.386 -5.699 117 HA PHE 16 HA PHE 16 6.435 -8.278 -8.166 118 1HB PHE 16 2HB PHE 16 6.130 -6.185 -8.792 119 2HB PHE 16 3HB PHE 16 4.495 -6.714 -8.487 120 HD1 PHE 16 HD1 PHE 16 3.597 -6.127 -6.023 121 HD2 PHE 16 HD2 PHE 16 7.095 -4.324 -7.793 122 HE1 PHE 16 HE1 PHE 16 3.518 -4.310 -4.393 123 HE2 PHE 16 HE2 PHE 16 7.014 -2.554 -6.190 124 HZ PHE 16 HZ PHE 16 5.121 -2.366 -4.571 125 H LYS 17 HN LYS 17 8.319 -6.647 -7.845 126 HA LYS 17 HA LYS 17 9.341 -7.158 -5.085 127 1HB LYS 17 2HB LYS 17 10.561 -7.519 -7.710 128 2HB LYS 17 3HB LYS 17 11.464 -6.349 -6.753 129 1HG LYS 17 2HG LYS 17 12.375 -8.529 -6.263 130 2HG LYS 17 3HG LYS 17 11.532 -7.897 -4.845 131 1HD LYS 17 2HD LYS 17 10.678 -10.004 -4.805 132 2HD LYS 17 3HD LYS 17 9.460 -9.182 -5.776 133 1HE LYS 17 2HE LYS 17 9.831 -11.211 -6.910 134 2HE LYS 17 3HE LYS 17 10.658 -9.979 -7.871 135 1HZ LYS 17 2HNZ LYS 17 11.916 -11.822 -5.933 136 2HZ LYS 17 3HNZ LYS 17 12.002 -11.938 -7.571 137 3HZ LYS 17 1HNZ LYS 17 12.722 -10.677 -6.799 138 H CYS 18 HN CYS 18 9.480 -5.498 -3.788 139 HA CYS 18 HA CYS 18 9.402 -2.744 -4.998 140 1HB CYS 18 2HB CYS 18 7.359 -3.441 -3.783 141 2HB CYS 18 3HB CYS 18 8.367 -3.465 -2.336 142 HG CYS 18 HSG CYS 18 9.287 -0.983 -2.623 143 H ASP 19 HN ASP 19 11.266 -1.663 -4.738 144 HA ASP 19 HA ASP 19 13.277 -2.472 -2.867 145 1HB ASP 19 2HB ASP 19 13.047 0.262 -4.130 146 2HB ASP 19 3HB ASP 19 14.437 -0.487 -3.317 147 H ASP 20 HN ASP 20 13.912 -1.524 -1.107 148 HA ASP 20 HA ASP 20 11.931 -0.827 0.853 149 1HB ASP 20 2HB ASP 20 14.120 -0.925 2.342 150 2HB ASP 20 3HB ASP 20 13.382 -2.336 1.624 151 H ASP 21 HN ASP 21 13.840 0.947 -1.259 152 HA ASP 21 HA ASP 21 13.489 3.488 0.271 153 1HB ASP 21 2HB ASP 21 15.515 2.690 -1.870 154 2HB ASP 21 3HB ASP 21 15.323 4.319 -1.218 155 H VAL 22 HN VAL 22 11.551 1.870 -1.643 156 HA VAL 22 HA VAL 22 10.914 4.246 -3.286 157 HB VAL 22 HB VAL 22 12.188 2.371 -4.608 158 1HG1 VAL 22 1HG1 VAL 22 10.697 0.514 -3.739 159 2HG1 VAL 22 2HG1 VAL 22 9.400 1.160 -4.742 160 3HG1 VAL 22 3HG1 VAL 22 10.915 0.585 -5.477 161 1HG2 VAL 22 3HG2 VAL 22 11.040 4.311 -5.631 162 2HG2 VAL 22 1HG2 VAL 22 10.841 2.831 -6.596 163 3HG2 VAL 22 2HG2 VAL 22 9.509 3.404 -5.573 164 H TYR 23 HN TYR 23 8.654 4.490 -3.718 165 HA TYR 23 HA TYR 23 7.077 3.458 -1.576 166 1HB TYR 23 2HB TYR 23 6.268 4.934 -4.096 167 2HB TYR 23 3HB TYR 23 5.155 4.533 -2.797 168 HD1 TYR 23 HD1 TYR 23 6.299 5.184 -0.319 169 HD2 TYR 23 HD2 TYR 23 6.799 7.250 -4.071 170 HE1 TYR 23 HE1 TYR 23 6.578 7.291 0.884 171 HE2 TYR 23 HE2 TYR 23 7.145 9.369 -2.846 172 HH TYR 23 HOH TYR 23 7.258 9.511 0.716 173 H VAL 24 HN VAL 24 5.453 1.901 -1.596 174 HA VAL 24 HA VAL 24 5.640 -0.319 -3.298 175 HB VAL 24 HB VAL 24 3.057 0.540 -1.947 176 1HG1 VAL 24 3HG1 VAL 24 2.968 -1.429 -3.537 177 2HG1 VAL 24 1HG1 VAL 24 4.260 -2.183 -2.563 178 3HG1 VAL 24 2HG1 VAL 24 2.668 -1.879 -1.846 179 1HG2 VAL 24 3HG2 VAL 24 5.520 -0.882 -0.829 180 2HG2 VAL 24 1HG2 VAL 24 4.707 0.553 -0.180 181 3HG2 VAL 24 2HG2 VAL 24 3.913 -1.004 -0.083 182 H LEU 25 HN LEU 25 3.371 2.449 -3.639 183 HA LEU 25 HA LEU 25 2.218 1.651 -6.081 184 1HB LEU 25 2HB LEU 25 1.079 3.280 -5.059 185 2HB LEU 25 3HB LEU 25 2.498 4.265 -4.660 186 HG LEU 25 HG LEU 25 2.052 4.078 -7.594 187 1HD1 LEU 25 3HD1 LEU 25 -0.156 5.254 -5.909 188 2HD1 LEU 25 1HD1 LEU 25 0.108 5.484 -7.666 189 3HD1 LEU 25 2HD1 LEU 25 -0.255 3.882 -7.042 190 1HD2 LEU 25 1HD2 LEU 25 3.517 5.740 -6.441 191 2HD2 LEU 25 2HD2 LEU 25 2.266 6.504 -7.425 192 3HD2 LEU 25 3HD2 LEU 25 2.088 6.436 -5.655 193 H ASP 26 HN ASP 26 5.048 3.962 -5.741 194 HA ASP 26 HA ASP 26 5.462 4.512 -8.347 195 1HB ASP 26 2HB ASP 26 7.412 3.990 -6.074 196 2HB ASP 26 3HB ASP 26 7.979 4.457 -7.677 197 H GLN 27 HN GLN 27 7.178 1.773 -6.717 198 HA GLN 27 HA GLN 27 8.177 0.866 -9.204 199 1HB GLN 27 2HB GLN 27 9.293 0.690 -7.084 200 2HB GLN 27 3HB GLN 27 8.150 -0.536 -6.507 201 1HG GLN 27 2HG GLN 27 8.955 -2.130 -8.042 202 2HG GLN 27 3HG GLN 27 9.587 -0.898 -9.145 203 1HE2 GLN 27 2HNE GLN 27 12.699 -0.469 -7.397 204 2HE2 GLN 27 1HNE GLN 27 11.625 0.232 -8.625 205 H ALA 28 HN ALA 28 5.290 -0.071 -7.293 206 HA ALA 28 HA ALA 28 4.502 -2.365 -8.766 207 1HB ALA 28 3HB ALA 28 2.916 -0.091 -7.527 208 2HB ALA 28 1HB ALA 28 2.170 -1.512 -8.162 209 3HB ALA 28 2HB ALA 28 3.288 -1.677 -6.807 210 H GLU 29 HN GLU 29 3.684 1.096 -9.432 211 HA GLU 29 HA GLU 29 2.381 0.573 -11.872 212 1HB GLU 29 2HB GLU 29 3.882 3.060 -10.918 213 2HB GLU 29 3HB GLU 29 2.974 2.976 -12.436 214 1HG GLU 29 2HG GLU 29 0.916 2.364 -11.188 215 2HG GLU 29 3HG GLU 29 1.798 2.537 -9.664 216 H GLU 30 HN GLU 30 5.888 1.234 -11.174 217 HA GLU 30 HA GLU 30 6.808 1.011 -13.828 218 1HB GLU 30 2HB GLU 30 8.311 0.158 -11.360 219 2HB GLU 30 3HB GLU 30 8.972 0.424 -12.964 220 1HG GLU 30 2HG GLU 30 7.473 2.801 -12.259 221 2HG GLU 30 3HG GLU 30 8.540 2.394 -10.917 222 H GLU 31 HN GLU 31 5.984 -1.679 -11.673 223 HA GLU 31 HA GLU 31 6.975 -3.624 -13.619 224 1HB GLU 31 2HB GLU 31 4.988 -4.037 -11.363 225 2HB GLU 31 3HB GLU 31 5.949 -5.272 -12.196 226 1HG GLU 31 2HG GLU 31 7.682 -3.133 -11.277 227 2HG GLU 31 3HG GLU 31 6.641 -3.582 -9.978 228 H GLY 32 HN GLY 32 4.106 -1.827 -13.087 229 1HA GLY 32 2HA GLY 32 2.748 -1.345 -15.097 230 2HA GLY 32 3HA GLY 32 2.729 -3.073 -15.469 231 H ILE 33 HN ILE 33 2.533 -2.357 -12.068 232 HA ILE 33 HA ILE 33 -0.116 -3.516 -11.964 233 HB ILE 33 HB ILE 33 1.644 -2.175 -9.969 234 1HG1 ILE 33 2HG1 ILE 33 1.078 -5.087 -10.471 235 2HG1 ILE 33 3HG1 ILE 33 2.534 -4.244 -11.021 236 1HG2 ILE 33 2HG2 ILE 33 -0.904 -3.782 -9.491 237 2HG2 ILE 33 3HG2 ILE 33 0.219 -3.265 -8.223 238 3HG2 ILE 33 1HG2 ILE 33 -0.667 -2.064 -9.118 239 1HD1 ILE 33 HD3 ILE 33 2.550 -3.714 -8.285 240 2HD1 ILE 33 HD1 ILE 33 2.133 -5.428 -8.424 241 3HD1 ILE 33 HD2 ILE 33 3.582 -4.792 -9.216 242 H ASP 34 HN ASP 34 -1.941 -2.488 -12.249 243 HA ASP 34 HA ASP 34 -2.195 0.455 -12.016 244 1HB ASP 34 2HB ASP 34 -3.149 -0.951 -13.860 245 2HB ASP 34 3HB ASP 34 -4.314 -1.602 -12.662 246 H ILE 35 HN ILE 35 -1.658 0.453 -9.654 247 HA ILE 35 HA ILE 35 -3.676 -0.690 -7.920 248 HB ILE 35 HB ILE 35 -1.090 0.284 -7.628 249 1HG1 ILE 35 2HG1 ILE 35 -2.870 -0.763 -5.503 250 2HG1 ILE 35 3HG1 ILE 35 -1.833 -1.632 -6.652 251 1HG2 ILE 35 2HG2 ILE 35 -2.061 2.589 -7.209 252 2HG2 ILE 35 3HG2 ILE 35 -2.594 1.942 -5.639 253 3HG2 ILE 35 1HG2 ILE 35 -0.889 1.946 -6.063 254 1HD1 ILE 35 HD3 ILE 35 0.160 -0.454 -5.674 255 2HD1 ILE 35 HD1 ILE 35 -0.914 0.310 -4.476 256 3HD1 ILE 35 HD2 ILE 35 -0.695 -1.439 -4.473 257 HA PRO 36 HA PRO 36 -6.494 2.771 -8.241 258 1HB PRO 36 2HB PRO 36 -7.312 3.084 -5.574 259 2HB PRO 36 3HB PRO 36 -7.995 1.924 -6.745 260 1HG PRO 36 2HG PRO 36 -6.277 1.329 -4.420 261 2HG PRO 36 3HG PRO 36 -7.252 0.263 -5.454 262 1HD PRO 36 2HD PRO 36 -4.397 0.785 -5.531 263 2HD PRO 36 3HD PRO 36 -5.246 -0.431 -6.447 264 H TYR 37 HN TYR 37 -6.057 5.004 -8.262 265 HA TYR 37 HA TYR 37 -4.339 6.310 -6.337 266 1HB TYR 37 2HB TYR 37 -2.632 4.967 -7.410 267 2HB TYR 37 3HB TYR 37 -3.299 5.276 -9.011 268 HD1 TYR 37 HD2 TYR 37 -1.768 7.004 -6.049 269 HD2 TYR 37 HD1 TYR 37 -2.526 7.136 -10.294 270 HE1 TYR 37 HE2 TYR 37 -0.359 8.986 -6.242 271 HE2 TYR 37 HE1 TYR 37 -1.293 9.284 -10.432 272 HH TYR 37 HOH TYR 37 -0.581 10.989 -7.577 273 H SER 38 HN SER 38 -4.049 8.551 -6.952 274 HA SER 38 HA SER 38 -4.925 9.611 -9.439 275 1HB SER 38 2HB SER 38 -6.881 10.964 -8.519 276 2HB SER 38 3HB SER 38 -7.203 9.247 -8.786 277 HG SER 38 HOG SER 38 -6.753 8.947 -6.507 278 H CYS 39 HN CYS 39 -4.820 10.340 -6.009 279 HA CYS 39 HA CYS 39 -3.642 13.000 -6.405 280 1HB CYS 39 2HB CYS 39 -4.253 13.148 -3.950 281 2HB CYS 39 3HB CYS 39 -5.485 13.070 -5.170 282 H ARG 40 HN ARG 40 -2.367 12.880 -3.612 283 HA ARG 40 HA ARG 40 -0.615 11.030 -3.066 284 1HB ARG 40 2HB ARG 40 0.431 12.127 -5.566 285 2HB ARG 40 3HB ARG 40 1.489 12.641 -4.286 286 1HG ARG 40 2HG ARG 40 1.992 10.418 -3.583 287 2HG ARG 40 3HG ARG 40 0.579 9.767 -4.397 288 1HD ARG 40 2HD ARG 40 2.221 9.018 -5.749 289 2HD ARG 40 3HD ARG 40 1.719 10.430 -6.642 290 HE ARG 40 HNE ARG 40 4.245 9.833 -5.270 291 1HH1 ARG 40 2HN2 ARG 40 2.324 12.460 -6.566 292 2HH1 ARG 40 1HN2 ARG 40 3.665 13.434 -7.094 293 1HH2 ARG 40 2HN1 ARG 40 6.069 11.018 -6.015 294 2HH2 ARG 40 1HN1 ARG 40 5.876 12.588 -6.728 295 H ALA 41 HN ALA 41 1.441 11.974 -1.948 296 HA ALA 41 HA ALA 41 2.517 13.636 -0.762 297 1HB ALA 41 1HB ALA 41 1.122 15.521 -1.616 298 2HB ALA 41 2HB ALA 41 -0.075 15.156 -0.340 299 3HB ALA 41 3HB ALA 41 1.568 15.633 0.095 300 H GLY 42 HN GLY 42 -0.744 12.485 0.140 301 1HA GLY 42 2HA GLY 42 -0.696 10.576 1.589 302 2HA GLY 42 3HA GLY 42 0.458 11.367 2.667 303 H SER 43 HN SER 43 -1.197 13.968 2.237 304 HA SER 43 HA SER 43 -3.589 13.373 3.921 305 1HB SER 43 2HB SER 43 -3.382 16.069 3.939 306 2HB SER 43 3HB SER 43 -2.544 15.048 5.087 307 HG SER 43 HOG SER 43 -1.131 16.566 4.067 308 H CYS 44 HN CYS 44 -4.012 12.350 1.628 309 HA CYS 44 HA CYS 44 -5.379 14.383 -0.059 310 1HB CYS 44 2HB CYS 44 -4.780 12.946 -1.922 311 2HB CYS 44 3HB CYS 44 -3.491 13.829 -1.150 312 H SER 45 HN SER 45 -6.309 11.701 -1.499 313 HA SER 45 HA SER 45 -8.915 11.976 -0.321 314 1HB SER 45 2HB SER 45 -7.971 10.022 -2.458 315 2HB SER 45 3HB SER 45 -9.649 10.364 -2.003 316 HG SER 45 HOG SER 45 -7.719 12.084 -3.160 317 H SER 46 HN SER 46 -7.833 8.627 -0.983 318 HA SER 46 HA SER 46 -7.447 8.077 1.771 319 1HB SER 46 2HB SER 46 -9.553 6.236 1.241 320 2HB SER 46 3HB SER 46 -9.499 7.523 2.452 321 HG SER 46 HOG SER 46 -11.279 7.564 0.834 322 H CYS 47 HN CYS 47 -8.433 6.420 -1.229 323 HA CYS 47 HA CYS 47 -7.772 4.395 -1.938 324 1HB CYS 47 2HB CYS 47 -6.943 4.985 -3.766 325 2HB CYS 47 3HB CYS 47 -7.023 6.606 -3.127 326 H ALA 48 HN ALA 48 -7.319 3.834 0.510 327 HA ALA 48 HA ALA 48 -4.630 2.906 1.095 328 1HB ALA 48 3HB ALA 48 -7.267 2.468 2.487 329 2HB ALA 48 1HB ALA 48 -5.666 2.116 3.166 330 3HB ALA 48 2HB ALA 48 -6.093 3.786 2.763 331 H GLY 49 HN GLY 49 -4.435 0.692 2.118 332 1HA GLY 49 2HA GLY 49 -5.788 -1.461 0.666 333 2HA GLY 49 3HA GLY 49 -4.021 -1.446 0.701 334 H LYS 50 HN LYS 50 -5.435 -3.582 1.864 335 HA LYS 50 HA LYS 50 -5.405 -3.172 4.749 336 1HB LYS 50 2HB LYS 50 -7.211 -4.248 3.221 337 2HB LYS 50 3HB LYS 50 -6.242 -5.713 3.348 338 1HG LYS 50 2HG LYS 50 -6.554 -5.848 5.717 339 2HG LYS 50 3HG LYS 50 -7.065 -4.153 5.802 340 1HD LYS 50 2HD LYS 50 -8.969 -4.765 4.226 341 2HD LYS 50 3HD LYS 50 -8.638 -6.462 4.612 342 1HE LYS 50 2HE LYS 50 -9.094 -6.063 6.994 343 2HE LYS 50 3HE LYS 50 -9.038 -4.340 6.786 344 1HZ LYS 50 1HNZ LYS 50 -10.983 -4.452 5.304 345 2HZ LYS 50 2HNZ LYS 50 -11.190 -6.011 5.694 346 3HZ LYS 50 3HNZ LYS 50 -11.294 -4.828 6.857 347 H VAL 51 HN VAL 51 -3.509 -3.676 5.821 348 HA VAL 51 HA VAL 51 -1.368 -5.258 4.670 349 HB VAL 51 HB VAL 51 -1.924 -4.360 7.547 350 1HG1 VAL 51 2HG1 VAL 51 0.623 -5.462 6.282 351 2HG1 VAL 51 3HG1 VAL 51 0.515 -4.714 7.892 352 3HG1 VAL 51 1HG1 VAL 51 -0.345 -6.221 7.568 353 1HG2 VAL 51 1HG2 VAL 51 -0.145 -3.120 5.415 354 2HG2 VAL 51 2HG2 VAL 51 -1.676 -2.452 6.027 355 3HG2 VAL 51 3HG2 VAL 51 -0.280 -2.561 7.098 356 H VAL 52 HN VAL 52 -1.458 -7.414 4.460 357 HA VAL 52 HA VAL 52 -3.245 -9.075 6.155 358 HB VAL 52 HB VAL 52 -1.552 -9.685 3.721 359 1HG1 VAL 52 3HG1 VAL 52 -3.564 -11.440 5.193 360 2HG1 VAL 52 1HG1 VAL 52 -2.821 -11.830 3.629 361 3HG1 VAL 52 2HG1 VAL 52 -1.813 -11.727 5.074 362 1HG2 VAL 52 1HG2 VAL 52 -4.531 -9.203 4.045 363 2HG2 VAL 52 2HG2 VAL 52 -3.357 -8.289 3.066 364 3HG2 VAL 52 3HG2 VAL 52 -3.802 -9.939 2.607 365 H SER 53 HN SER 53 0.244 -8.681 5.213 366 HA SER 53 HA SER 53 1.065 -9.523 7.837 367 1HB SER 53 2HB SER 53 0.525 -11.773 6.684 368 2HB SER 53 3HB SER 53 1.877 -11.414 5.592 369 HG SER 53 HOG SER 53 1.889 -11.832 8.395 370 H GLY 54 HN GLY 54 3.551 -9.959 7.717 371 1HA GLY 54 2HA GLY 54 5.646 -8.979 7.398 372 2HA GLY 54 3HA GLY 54 5.050 -8.177 5.944 373 H SER 55 HN SER 55 6.217 -6.259 6.722 374 HA SER 55 HA SER 55 4.313 -4.496 7.934 375 1HB SER 55 2HB SER 55 5.598 -5.281 9.943 376 2HB SER 55 3HB SER 55 7.082 -4.641 9.210 377 HG SER 55 HOG SER 55 4.767 -3.267 10.120 378 H ILE 56 HN ILE 56 5.359 -2.253 7.886 379 HA ILE 56 HA ILE 56 7.055 -1.636 5.636 380 HB ILE 56 HB ILE 56 5.147 -0.591 4.391 381 1HG1 ILE 56 2HG1 ILE 56 3.411 -2.149 6.337 382 2HG1 ILE 56 3HG1 ILE 56 3.437 -0.404 6.080 383 1HG2 ILE 56 2HG2 ILE 56 6.081 -3.029 3.980 384 2HG2 ILE 56 3HG2 ILE 56 4.533 -3.519 4.617 385 3HG2 ILE 56 1HG2 ILE 56 4.613 -2.515 3.142 386 1HD1 ILE 56 HD2 ILE 56 2.653 -0.845 3.714 387 2HD1 ILE 56 HD3 ILE 56 2.489 -2.566 4.121 388 3HD1 ILE 56 HD1 ILE 56 1.522 -1.393 4.992 389 H ASP 57 HN ASP 57 7.089 0.794 5.367 390 HA ASP 57 HA ASP 57 6.272 2.208 7.883 391 1HB ASP 57 2HB ASP 57 8.713 1.980 7.739 392 2HB ASP 57 3HB ASP 57 8.702 2.638 6.090 393 H GLN 58 HN GLN 58 4.453 3.303 7.333 394 HA GLN 58 HA GLN 58 4.456 4.905 4.808 395 1HB GLN 58 2HB GLN 58 1.975 5.029 5.276 396 2HB GLN 58 3HB GLN 58 2.586 3.442 4.799 397 1HG GLN 58 2HG GLN 58 2.481 2.605 6.998 398 2HG GLN 58 3HG GLN 58 2.340 4.223 7.702 399 1HE2 GLN 58 2HNE GLN 58 -0.956 2.565 7.826 400 2HE2 GLN 58 1HNE GLN 58 0.672 2.176 8.353 401 H SER 59 HN SER 59 6.054 5.619 7.210 402 HA SER 59 HA SER 59 5.022 7.657 8.707 403 1HB SER 59 2HB SER 59 7.403 6.925 8.697 404 2HB SER 59 3HB SER 59 7.644 7.736 7.141 405 HG SER 59 HOG SER 59 6.791 8.992 9.557 406 H ASP 60 HN ASP 60 5.910 7.877 5.251 407 HA ASP 60 HA ASP 60 5.374 10.531 4.756 408 1HB ASP 60 2HB ASP 60 4.888 8.249 2.808 409 2HB ASP 60 3HB ASP 60 5.379 9.912 2.441 410 H GLN 61 HN GLN 61 2.956 8.401 5.824 411 HA GLN 61 HA GLN 61 0.737 9.346 4.261 412 1HB GLN 61 2HB GLN 61 -0.604 8.218 5.936 413 2HB GLN 61 3HB GLN 61 0.818 7.219 5.640 414 1HG GLN 61 2HG GLN 61 1.842 8.519 7.723 415 2HG GLN 61 3HG GLN 61 0.173 8.976 8.049 416 1HE2 GLN 61 2HNE GLN 61 -0.769 5.430 8.555 417 2HE2 GLN 61 1HNE GLN 61 -1.343 6.793 7.609 418 H SER 62 HN SER 62 -1.010 10.743 5.092 419 HA SER 62 HA SER 62 -0.666 11.949 7.707 420 1HB SER 62 2HB SER 62 -0.604 13.687 5.210 421 2HB SER 62 3HB SER 62 -1.131 14.293 6.797 422 HG SER 62 HOG SER 62 1.326 12.958 6.598 423 H PHE 63 HN PHE 63 -2.320 10.024 7.134 424 HA PHE 63 HA PHE 63 -4.940 11.288 7.233 425 1HB PHE 63 2HB PHE 63 -4.985 11.169 4.907 426 2HB PHE 63 3HB PHE 63 -4.103 9.643 4.868 427 HD1 PHE 63 HD1 PHE 63 -7.255 10.568 6.796 428 HD2 PHE 63 HD2 PHE 63 -5.443 8.194 3.659 429 HE1 PHE 63 HE1 PHE 63 -9.265 9.164 6.685 430 HE2 PHE 63 HE2 PHE 63 -7.382 6.749 3.645 431 HZ PHE 63 HZ PHE 63 -9.355 7.238 5.125 432 H LEU 64 HN LEU 64 -3.612 7.851 6.769 433 HA LEU 64 HA LEU 64 -5.863 6.860 7.990 434 1HB LEU 64 2HB LEU 64 -3.101 5.580 7.841 435 2HB LEU 64 3HB LEU 64 -4.471 4.807 8.574 436 HG LEU 64 HG LEU 64 -5.767 5.162 6.374 437 1HD1 LEU 64 1HD1 LEU 64 -2.911 5.556 5.431 438 2HD1 LEU 64 2HD1 LEU 64 -4.302 5.196 4.373 439 3HD1 LEU 64 3HD1 LEU 64 -4.234 6.725 5.247 440 1HD2 LEU 64 2HD2 LEU 64 -3.364 3.324 6.651 441 2HD2 LEU 64 3HD2 LEU 64 -5.008 3.035 7.258 442 3HD2 LEU 64 1HD2 LEU 64 -4.712 3.071 5.505 443 H ASP 65 HN ASP 65 -6.520 6.289 9.977 444 HA ASP 65 HA ASP 65 -5.167 7.563 12.214 445 1HB ASP 65 2HB ASP 65 -7.647 5.821 12.260 446 2HB ASP 65 3HB ASP 65 -7.165 7.041 13.451 447 H ASP 66 HN ASP 66 -4.978 6.362 14.309 448 HA ASP 66 HA ASP 66 -3.206 4.164 14.214 449 1HB ASP 66 2HB ASP 66 -5.092 5.099 16.436 450 2HB ASP 66 3HB ASP 66 -3.767 3.943 16.632 451 H GLU 67 HN GLU 67 -6.720 4.422 14.653 452 HA GLU 67 HA GLU 67 -7.385 1.797 15.187 453 1HB GLU 67 2HB GLU 67 -9.194 3.331 13.296 454 2HB GLU 67 3HB GLU 67 -9.553 2.411 14.749 455 1HG GLU 67 2HG GLU 67 -8.378 4.353 15.997 456 2HG GLU 67 3HG GLU 67 -8.563 5.236 14.464 457 H GLN 68 HN GLN 68 -7.501 3.344 11.928 458 HA GLN 68 HA GLN 68 -7.926 1.071 10.465 459 1HB GLN 68 2HB GLN 68 -6.387 3.570 9.722 460 2HB GLN 68 3HB GLN 68 -6.964 2.364 8.562 461 1HG GLN 68 2HG GLN 68 -9.250 2.671 9.158 462 2HG GLN 68 3HG GLN 68 -8.834 3.763 10.482 463 1HE2 GLN 68 2HNE GLN 68 -9.836 5.783 7.579 464 2HE2 GLN 68 1HNE GLN 68 -10.623 4.524 8.506 465 H MET 69 HN MET 69 -4.667 2.524 11.256 466 HA MET 69 HA MET 69 -3.141 0.561 9.924 467 1HB MET 69 2HB MET 69 -2.502 2.182 12.414 468 2HB MET 69 3HB MET 69 -1.361 1.203 11.476 469 1HG MET 69 2HG MET 69 -2.149 2.562 9.402 470 2HG MET 69 3HG MET 69 -2.939 3.595 10.531 471 1HE MET 69 HE1 MET 69 -1.738 5.124 12.254 472 2HE MET 69 HE2 MET 69 -0.422 6.063 11.484 473 3HE MET 69 HE3 MET 69 -1.934 5.752 10.594 474 H ASP 70 HN ASP 70 -4.103 0.577 13.381 475 HA ASP 70 HA ASP 70 -2.980 -1.906 14.143 476 1HB ASP 70 2HB ASP 70 -3.888 -0.150 15.695 477 2HB ASP 70 3HB ASP 70 -5.518 -0.534 15.150 478 H ALA 71 HN ALA 71 -6.104 -1.030 12.844 479 HA ALA 71 HA ALA 71 -7.452 -3.526 13.031 480 1HB ALA 71 3HB ALA 71 -7.857 -1.129 11.210 481 2HB ALA 71 1HB ALA 71 -9.030 -2.454 11.394 482 3HB ALA 71 2HB ALA 71 -8.635 -1.409 12.777 483 H GLY 72 HN GLY 72 -5.072 -2.364 10.720 484 1HA GLY 72 2HA GLY 72 -3.912 -4.232 9.619 485 2HA GLY 72 3HA GLY 72 -5.455 -4.872 9.119 486 H TYR 73 HN TYR 73 -4.725 -1.335 8.984 487 HA TYR 73 HA TYR 73 -4.847 -1.607 6.002 488 1HB TYR 73 2HB TYR 73 -5.925 0.560 7.755 489 2HB TYR 73 3HB TYR 73 -5.934 0.537 5.997 490 HD1 TYR 73 HD2 TYR 73 -7.041 -1.420 4.767 491 HD2 TYR 73 HD1 TYR 73 -7.776 -0.508 8.910 492 HE1 TYR 73 HE2 TYR 73 -9.280 -2.374 4.584 493 HE2 TYR 73 HE1 TYR 73 -10.053 -1.386 8.714 494 HH TYR 73 HOH TYR 73 -11.779 -1.700 6.648 495 H VAL 74 HN VAL 74 -3.889 0.168 4.698 496 HA VAL 74 HA VAL 74 -1.793 1.746 5.940 497 HB VAL 74 HB VAL 74 -0.741 -0.471 5.689 498 1HG1 VAL 74 2HG1 VAL 74 -2.033 -1.303 3.739 499 2HG1 VAL 74 3HG1 VAL 74 -1.103 -0.194 2.707 500 3HG1 VAL 74 1HG1 VAL 74 -0.284 -1.485 3.580 501 1HG2 VAL 74 2HG2 VAL 74 0.284 2.014 4.475 502 2HG2 VAL 74 3HG2 VAL 74 1.081 0.833 5.506 503 3HG2 VAL 74 1HG2 VAL 74 0.978 0.590 3.747 504 H LEU 75 HN LEU 75 -1.270 3.482 4.664 505 HA LEU 75 HA LEU 75 -3.000 4.408 2.725 506 1HB LEU 75 2HB LEU 75 -1.266 5.690 4.063 507 2HB LEU 75 3HB LEU 75 -0.017 5.011 3.030 508 HG LEU 75 HG LEU 75 -0.850 6.170 1.123 509 1HD1 LEU 75 2HD1 LEU 75 -3.215 7.008 2.881 510 2HD1 LEU 75 3HD1 LEU 75 -2.812 7.807 1.354 511 3HD1 LEU 75 1HD1 LEU 75 -3.293 6.113 1.342 512 1HD2 LEU 75 1HD2 LEU 75 0.517 7.391 2.844 513 2HD2 LEU 75 2HD2 LEU 75 -0.492 8.436 1.821 514 3HD2 LEU 75 3HD2 LEU 75 -1.004 8.071 3.481 515 H THR 76 HN THR 76 0.071 2.635 2.211 516 HA THR 76 HA THR 76 0.780 1.352 0.504 517 HB THR 76 HB THR 76 -1.785 1.756 -1.085 518 HG1 THR 76 HG1 THR 76 -2.352 1.119 1.042 519 1HG2 THR 76 3HG2 THR 76 0.125 0.557 -2.152 520 2HG2 THR 76 1HG2 THR 76 0.143 -0.586 -0.791 521 3HG2 THR 76 2HG2 THR 76 -1.271 -0.496 -1.859 522 H CYS 77 HN CYS 77 -1.137 4.103 -0.883 523 HA CYS 77 HA CYS 77 0.539 4.520 -3.102 524 1HB CYS 77 2HB CYS 77 -0.651 6.582 -3.361 525 2HB CYS 77 3HB CYS 77 -1.708 5.228 -2.986 526 H HIS 78 HN HIS 78 0.956 5.462 0.202 527 HA HIS 78 HA HIS 78 3.649 6.541 -0.448 528 1HB HIS 78 2HB HIS 78 1.398 8.047 0.623 529 2HB HIS 78 3HB HIS 78 2.656 7.957 1.846 530 HD1 HIS 78 HND HIS 78 3.224 10.489 1.718 531 HD2 HIS 78 HD HIS 78 3.426 8.445 -1.967 532 HE1 HIS 78 HE HIS 78 4.287 12.082 0.037 533 H ALA 79 HN ALA 79 4.266 4.323 0.036 534 HA ALA 79 HA ALA 79 4.827 3.967 2.877 535 1HB ALA 79 3HB ALA 79 2.576 2.874 2.596 536 2HB ALA 79 1HB ALA 79 3.274 1.835 1.345 537 3HB ALA 79 2HB ALA 79 3.861 1.722 3.019 538 H TYR 80 HN TYR 80 6.679 2.807 3.209 539 HA TYR 80 HA TYR 80 8.228 1.804 0.855 540 1HB TYR 80 2HB TYR 80 9.011 2.659 3.663 541 2HB TYR 80 3HB TYR 80 10.112 1.973 2.493 542 HD1 TYR 80 HD1 TYR 80 10.225 3.244 0.142 543 HD2 TYR 80 HD2 TYR 80 8.861 4.988 3.837 544 HE1 TYR 80 HE1 TYR 80 10.361 5.518 -0.875 545 HE2 TYR 80 HE2 TYR 80 9.298 7.231 2.919 546 HH TYR 80 HOH TYR 80 9.180 8.372 0.979 547 HA PRO 81 HA PRO 81 7.517 -2.143 2.870 548 1HB PRO 81 2HB PRO 81 8.971 -3.715 1.057 549 2HB PRO 81 3HB PRO 81 7.253 -3.265 0.937 550 1HG PRO 81 2HG PRO 81 9.515 -2.238 -0.663 551 2HG PRO 81 3HG PRO 81 7.752 -2.061 -0.889 552 1HD PRO 81 2HD PRO 81 9.511 -0.050 0.095 553 2HD PRO 81 3HD PRO 81 7.754 -0.018 -0.180 554 H THR 82 HN THR 82 8.621 -2.762 4.755 555 HA THR 82 HA THR 82 11.554 -2.364 4.805 556 HB THR 82 HB THR 82 11.128 -2.659 7.272 557 HG1 THR 82 HG1 THR 82 8.887 -2.350 7.840 558 1HG2 THR 82 1HG2 THR 82 11.384 -0.465 6.107 559 2HG2 THR 82 2HG2 THR 82 9.635 -0.417 5.824 560 3HG2 THR 82 3HG2 THR 82 10.258 -0.363 7.485 561 H SER 83 HN SER 83 9.332 -4.944 4.347 562 HA SER 83 HA SER 83 11.478 -6.815 4.138 563 1HB SER 83 2HB SER 83 9.314 -7.277 6.264 564 2HB SER 83 3HB SER 83 10.433 -8.527 5.705 565 HG SER 83 HOG SER 83 11.762 -6.288 6.493 566 H ASP 84 HN ASP 84 10.082 -9.127 3.748 567 HA ASP 84 HA ASP 84 8.380 -8.708 1.484 568 1HB ASP 84 2HB ASP 84 7.860 -11.126 1.902 569 2HB ASP 84 3HB ASP 84 9.589 -10.789 1.734 570 H VAL 85 HN VAL 85 6.190 -8.676 1.414 571 HA VAL 85 HA VAL 85 4.599 -8.613 3.874 572 HB VAL 85 HB VAL 85 5.678 -6.473 4.063 573 1HG1 VAL 85 2HG1 VAL 85 6.443 -6.193 1.755 574 2HG1 VAL 85 3HG1 VAL 85 4.781 -5.790 1.268 575 3HG1 VAL 85 1HG1 VAL 85 5.675 -4.746 2.385 576 1HG2 VAL 85 1HG2 VAL 85 2.748 -6.439 3.536 577 2HG2 VAL 85 2HG2 VAL 85 3.705 -5.782 4.862 578 3HG2 VAL 85 3HG2 VAL 85 3.537 -4.915 3.320 579 H VAL 86 HN VAL 86 2.402 -8.532 3.598 580 HA VAL 86 HA VAL 86 1.427 -8.986 0.812 581 HB VAL 86 HB VAL 86 0.591 -10.430 3.370 582 1HG1 VAL 86 1HG1 VAL 86 -1.228 -10.100 1.575 583 2HG1 VAL 86 2HG1 VAL 86 -0.169 -10.995 0.493 584 3HG1 VAL 86 3HG1 VAL 86 -0.821 -11.791 1.930 585 1HG2 VAL 86 2HG2 VAL 86 2.242 -11.390 0.990 586 2HG2 VAL 86 3HG2 VAL 86 2.780 -11.267 2.677 587 3HG2 VAL 86 1HG2 VAL 86 1.551 -12.455 2.230 588 H ILE 87 HN ILE 87 -0.129 -7.508 0.274 589 HA ILE 87 HA ILE 87 -1.792 -6.366 2.402 590 HB ILE 87 HB ILE 87 0.042 -4.888 2.315 591 1HG1 ILE 87 2HG1 ILE 87 -2.103 -3.721 2.417 592 2HG1 ILE 87 3HG1 ILE 87 -0.710 -2.810 1.829 593 1HG2 ILE 87 1HG2 ILE 87 -0.098 -5.097 -0.638 594 2HG2 ILE 87 2HG2 ILE 87 0.657 -3.687 0.130 595 3HG2 ILE 87 3HG2 ILE 87 1.301 -5.323 0.426 596 1HD1 ILE 87 HD3 ILE 87 -1.815 -3.884 -0.512 597 2HD1 ILE 87 HD1 ILE 87 -3.163 -3.391 0.497 598 3HD1 ILE 87 HD2 ILE 87 -1.902 -2.211 0.068 599 H GLU 88 HN GLU 88 -3.845 -5.653 1.626 600 HA GLU 88 HA GLU 88 -4.561 -6.564 -1.122 601 1HB GLU 88 2HB GLU 88 -6.415 -5.741 1.065 602 2HB GLU 88 3HB GLU 88 -6.823 -6.694 -0.374 603 1HG GLU 88 2HG GLU 88 -5.707 -8.622 0.638 604 2HG GLU 88 3HG GLU 88 -5.167 -7.612 1.991 605 H THR 89 HN THR 89 -4.875 -5.041 -2.665 606 HA THR 89 HA THR 89 -4.846 -2.187 -1.816 607 HB THR 89 HB THR 89 -4.450 -1.660 -4.156 608 HG1 THR 89 HG1 THR 89 -5.121 -4.374 -4.613 609 1HG2 THR 89 1HG2 THR 89 -2.863 -4.132 -3.338 610 2HG2 THR 89 2HG2 THR 89 -2.444 -2.961 -4.592 611 3HG2 THR 89 3HG2 THR 89 -2.521 -2.448 -2.894 612 H HIS 90 HN HIS 90 -6.457 -0.726 -3.157 613 HA HIS 90 HA HIS 90 -8.554 -0.060 -3.670 614 1HB HIS 90 2HB HIS 90 -9.295 -2.993 -4.063 615 2HB HIS 90 3HB HIS 90 -10.212 -1.584 -4.576 616 HD1 HIS 90 HND HIS 90 -6.466 -2.421 -5.225 617 HD2 HIS 90 HD HIS 90 -10.088 -1.556 -7.177 618 HE1 HIS 90 HE HIS 90 -5.918 -2.330 -7.655 619 H LYS 91 HN LYS 91 -7.969 0.075 -1.071 620 HA LYS 91 HA LYS 91 -10.437 -0.878 0.352 621 1HB LYS 91 2HB LYS 91 -7.672 -0.468 1.506 622 2HB LYS 91 3HB LYS 91 -9.069 -1.152 2.314 623 1HG LYS 91 2HG LYS 91 -7.745 -2.402 -0.146 624 2HG LYS 91 3HG LYS 91 -7.478 -2.888 1.518 625 1HD LYS 91 2HD LYS 91 -9.588 -3.547 1.903 626 2HD LYS 91 3HD LYS 91 -10.258 -2.884 0.426 627 1HE LYS 91 2HE LYS 91 -9.534 -4.449 -0.981 628 2HE LYS 91 3HE LYS 91 -8.133 -4.872 -0.001 629 1HZ LYS 91 3HNZ LYS 91 -10.824 -5.444 1.006 630 2HZ LYS 91 1HNZ LYS 91 -10.105 -6.487 -0.067 631 3HZ LYS 91 2HNZ LYS 91 -9.381 -6.207 1.359 632 H GLU 92 HN GLU 92 -10.508 1.455 -1.091 633 HA GLU 92 HA GLU 92 -10.153 3.715 0.702 634 1HB GLU 92 2HB GLU 92 -10.205 3.943 -1.722 635 2HB GLU 92 3HB GLU 92 -11.857 3.333 -1.832 636 1HG GLU 92 2HG GLU 92 -12.772 5.306 -1.009 637 2HG GLU 92 3HG GLU 92 -11.348 5.682 -0.034 638 H GLU 93 HN GLU 93 -13.244 2.287 -0.512 639 HA GLU 93 HA GLU 93 -14.566 3.003 1.976 640 1HB GLU 93 2HB GLU 93 -15.550 1.506 -0.493 641 2HB GLU 93 3HB GLU 93 -16.558 1.993 0.871 642 1HG GLU 93 2HG GLU 93 -15.081 4.333 0.003 643 2HG GLU 93 3HG GLU 93 -15.819 3.571 -1.412 644 H GLU 94 HN GLU 94 -12.599 1.465 2.689 645 HA GLU 94 HA GLU 94 -14.011 -0.660 4.144 646 1HB GLU 94 2HB GLU 94 -11.285 -0.917 2.792 647 2HB GLU 94 3HB GLU 94 -11.682 -1.792 4.260 648 1HG GLU 94 2HG GLU 94 -13.813 -2.586 2.942 649 2HG GLU 94 3HG GLU 94 -12.858 -2.129 1.530 650 H ILE 95 HN ILE 95 -11.486 1.925 4.071 651 HA ILE 95 HA ILE 95 -10.892 1.454 6.869 652 HB ILE 95 HB ILE 95 -9.180 3.114 6.505 653 1HG1 ILE 95 2HG1 ILE 95 -9.907 3.149 3.560 654 2HG1 ILE 95 3HG1 ILE 95 -10.479 4.396 4.668 655 1HG2 ILE 95 3HG2 ILE 95 -8.889 0.790 6.109 656 2HG2 ILE 95 1HG2 ILE 95 -9.230 0.920 4.378 657 3HG2 ILE 95 2HG2 ILE 95 -7.793 1.700 5.075 658 1HD1 ILE 95 HD1 ILE 95 -7.552 3.761 4.447 659 2HD1 ILE 95 HD2 ILE 95 -8.427 4.919 3.416 660 3HD1 ILE 95 HD3 ILE 95 -8.349 5.133 5.201 661 H VAL 96 HN VAL 96 -12.671 3.810 4.938 662 HA VAL 96 HA VAL 96 -12.897 5.635 7.254 663 HB VAL 96 HB VAL 96 -14.247 7.012 5.687 664 1HG1 VAL 96 1HG1 VAL 96 -11.825 7.435 6.068 665 2HG1 VAL 96 2HG1 VAL 96 -11.434 6.365 4.711 666 3HG1 VAL 96 3HG1 VAL 96 -12.322 7.861 4.425 667 1HG2 VAL 96 3HG2 VAL 96 -14.935 5.168 4.115 668 2HG2 VAL 96 1HG2 VAL 96 -14.246 6.586 3.310 669 3HG2 VAL 96 2HG2 VAL 96 -13.270 5.125 3.499 No H/Q in entry = 668 Start of MODEL 3 1 1H ALA 1 1HN ALA 1 17.550 -2.234 -0.074 2 2H ALA 1 2HN ALA 1 16.504 -2.315 -1.257 3 2H ALA 1 3HN ALA 1 16.504 -2.315 -1.257 4 HA ALA 1 HA ALA 1 18.250 -4.529 -1.014 5 1HB ALA 1 1HB ALA 1 17.754 -3.985 1.340 6 2HB ALA 1 2HB ALA 1 16.015 -4.143 0.997 7 3HB ALA 1 3HB ALA 1 17.084 -5.549 0.840 8 H THR 2 HN THR 2 14.802 -3.549 -1.209 9 HA THR 2 HA THR 2 13.252 -4.013 -2.638 10 HB THR 2 HB THR 2 14.996 -5.896 -4.161 11 HG1 THR 2 HG1 THR 2 14.972 -3.119 -4.702 12 1HG2 THR 2 1HG2 THR 2 12.555 -5.641 -4.812 13 2HG2 THR 2 2HG2 THR 2 12.861 -3.920 -5.101 14 3HG2 THR 2 3HG2 THR 2 13.682 -5.140 -6.091 15 H TYR 3 HN TYR 3 11.465 -5.184 -2.209 16 HA TYR 3 HA TYR 3 11.865 -7.935 -1.088 17 1HB TYR 3 2HB TYR 3 10.071 -5.752 0.017 18 2HB TYR 3 3HB TYR 3 10.193 -7.389 0.613 19 HD1 TYR 3 HD2 TYR 3 12.888 -8.072 1.067 20 HD2 TYR 3 HD1 TYR 3 11.124 -4.152 1.302 21 HE1 TYR 3 HE2 TYR 3 14.698 -7.343 2.599 22 HE2 TYR 3 HE1 TYR 3 12.806 -3.504 2.995 23 HH TYR 3 HOH TYR 3 14.671 -4.127 4.148 24 H ASN 4 HN ASN 4 10.039 -9.237 -1.046 25 HA ASN 4 HA ASN 4 8.396 -9.288 -3.397 26 1HB ASN 4 2HB ASN 4 9.397 -11.306 -2.450 27 2HB ASN 4 3HB ASN 4 8.740 -10.934 -0.855 28 1HD2 ASN 4 2HND ASN 4 5.795 -11.945 -3.527 29 2HD2 ASN 4 1HND ASN 4 6.684 -10.412 -3.651 30 H VAL 5 HN VAL 5 6.864 -7.676 -3.374 31 HA VAL 5 HA VAL 5 5.137 -7.433 -0.946 32 HB VAL 5 HB VAL 5 5.350 -5.562 -3.318 33 1HG1 VAL 5 2HG1 VAL 5 3.733 -5.557 -0.716 34 2HG1 VAL 5 3HG1 VAL 5 4.019 -4.102 -1.670 35 3HG1 VAL 5 1HG1 VAL 5 3.128 -5.459 -2.369 36 1HG2 VAL 5 3HG2 VAL 5 6.541 -5.504 -0.532 37 2HG2 VAL 5 1HG2 VAL 5 7.381 -5.410 -2.085 38 3HG2 VAL 5 2HG2 VAL 5 6.361 -4.057 -1.544 39 H LYS 6 HN LYS 6 3.301 -8.684 -1.059 40 HA LYS 6 HA LYS 6 2.099 -9.205 -3.719 41 1HB LYS 6 2HB LYS 6 2.216 -11.031 -2.127 42 2HB LYS 6 3HB LYS 6 1.295 -10.088 -0.965 43 1HG LYS 6 2HG LYS 6 -0.614 -9.910 -2.638 44 2HG LYS 6 3HG LYS 6 0.346 -10.848 -3.772 45 1HD LYS 6 2HD LYS 6 -0.914 -11.789 -1.158 46 2HD LYS 6 3HD LYS 6 -1.267 -12.204 -2.813 47 1HE LYS 6 2HE LYS 6 1.211 -12.961 -2.954 48 2HE LYS 6 3HE LYS 6 1.192 -12.965 -1.192 49 1HZ LYS 6 1HNZ LYS 6 -0.743 -14.379 -2.960 50 2HZ LYS 6 2HNZ LYS 6 0.630 -15.097 -2.386 51 3HZ LYS 6 3HNZ LYS 6 -0.579 -14.621 -1.348 52 H LEU 7 HN LEU 7 0.552 -8.012 -4.566 53 HA LEU 7 HA LEU 7 -1.216 -6.369 -2.795 54 1HB LEU 7 2HB LEU 7 -0.645 -6.213 -5.772 55 2HB LEU 7 3HB LEU 7 -1.619 -5.075 -4.869 56 HG LEU 7 HG LEU 7 1.382 -5.536 -4.684 57 1HD1 LEU 7 3HD1 LEU 7 -0.267 -3.201 -5.661 58 2HD1 LEU 7 1HD1 LEU 7 1.500 -3.211 -5.570 59 3HD1 LEU 7 2HD1 LEU 7 0.668 -4.326 -6.667 60 1HD2 LEU 7 3HD2 LEU 7 -0.380 -3.675 -3.043 61 2HD2 LEU 7 1HD2 LEU 7 0.720 -4.951 -2.472 62 3HD2 LEU 7 2HD2 LEU 7 1.372 -3.487 -3.203 63 H ILE 8 HN ILE 8 -2.824 -7.715 -2.146 64 HA ILE 8 HA ILE 8 -4.043 -9.613 -4.038 65 HB ILE 8 HB ILE 8 -4.677 -8.718 -1.252 66 1HG1 ILE 8 2HG1 ILE 8 -3.924 -11.493 -2.107 67 2HG1 ILE 8 3HG1 ILE 8 -2.684 -10.267 -1.820 68 1HG2 ILE 8 2HG2 ILE 8 -6.109 -10.785 -2.990 69 2HG2 ILE 8 3HG2 ILE 8 -6.381 -10.578 -1.250 70 3HG2 ILE 8 1HG2 ILE 8 -6.826 -9.289 -2.359 71 1HD1 ILE 8 HD2 ILE 8 -4.748 -11.101 0.244 72 2HD1 ILE 8 HD3 ILE 8 -3.055 -11.619 0.183 73 3HD1 ILE 8 HD1 ILE 8 -3.441 -9.904 0.435 74 H THR 9 HN THR 9 -4.448 -8.260 -5.788 75 HA THR 9 HA THR 9 -6.319 -6.063 -5.507 76 HB THR 9 HB THR 9 -6.131 -6.030 -7.945 77 HG1 THR 9 HG1 THR 9 -5.676 -8.365 -8.189 78 1HG2 THR 9 1HG2 THR 9 -3.457 -6.315 -6.494 79 2HG2 THR 9 2HG2 THR 9 -3.651 -5.620 -8.111 80 3HG2 THR 9 3HG2 THR 9 -4.388 -4.804 -6.723 81 HA PRO 10 HA PRO 10 -10.032 -8.460 -6.103 82 1HB PRO 10 2HB PRO 10 -10.970 -6.672 -8.212 83 2HB PRO 10 3HB PRO 10 -11.698 -7.036 -6.614 84 1HG PRO 10 2HG PRO 10 -10.412 -4.748 -7.380 85 2HG PRO 10 3HG PRO 10 -10.521 -5.231 -5.670 86 1HD PRO 10 2HD PRO 10 -8.228 -5.265 -7.446 87 2HD PRO 10 3HD PRO 10 -8.272 -5.305 -5.722 88 H ASP 11 HN ASP 11 -8.242 -7.412 -8.954 89 HA ASP 11 HA ASP 11 -9.099 -9.033 -11.047 90 1HB ASP 11 2HB ASP 11 -6.436 -7.809 -10.195 91 2HB ASP 11 3HB ASP 11 -6.550 -8.814 -11.624 92 H GLY 12 HN GLY 12 -7.158 -9.750 -8.223 93 1HA GLY 12 2HA GLY 12 -7.248 -11.845 -7.351 94 2HA GLY 12 3HA GLY 12 -7.035 -12.642 -8.931 95 H GLU 13 HN GLU 13 -5.449 -10.223 -6.872 96 HA GLU 13 HA GLU 13 -3.397 -9.944 -5.999 97 1HB GLU 13 2HB GLU 13 -3.011 -12.790 -6.873 98 2HB GLU 13 3HB GLU 13 -1.789 -11.844 -6.036 99 1HG GLU 13 2HG GLU 13 -2.948 -11.674 -4.102 100 2HG GLU 13 3HG GLU 13 -4.514 -12.170 -4.794 101 H VAL 14 HN VAL 14 -1.395 -9.253 -6.422 102 HA VAL 14 HA VAL 14 0.003 -10.058 -8.834 103 HB VAL 14 HB VAL 14 -1.475 -8.343 -9.632 104 1HG1 VAL 14 3HG1 VAL 14 -1.665 -6.947 -7.617 105 2HG1 VAL 14 1HG1 VAL 14 -0.077 -6.242 -7.997 106 3HG1 VAL 14 2HG1 VAL 14 -1.429 -6.061 -9.125 107 1HG2 VAL 14 1HG2 VAL 14 0.676 -8.720 -10.719 108 2HG2 VAL 14 2HG2 VAL 14 0.119 -7.045 -10.856 109 3HG2 VAL 14 3HG2 VAL 14 1.401 -7.468 -9.684 110 H GLU 15 HN GLU 15 1.595 -10.895 -7.579 111 HA GLU 15 HA GLU 15 2.959 -9.314 -5.608 112 1HB GLU 15 2HB GLU 15 3.524 -11.993 -6.949 113 2HB GLU 15 3HB GLU 15 4.754 -11.193 -5.961 114 1HG GLU 15 2HG GLU 15 3.283 -11.071 -4.062 115 2HG GLU 15 3HG GLU 15 1.966 -11.871 -4.978 116 H PHE 16 HN PHE 16 4.872 -8.303 -5.702 117 HA PHE 16 HA PHE 16 6.446 -8.191 -8.158 118 1HB PHE 16 2HB PHE 16 6.107 -6.124 -8.863 119 2HB PHE 16 3HB PHE 16 4.494 -6.695 -8.545 120 HD1 PHE 16 HD1 PHE 16 3.570 -6.036 -6.103 121 HD2 PHE 16 HD2 PHE 16 6.963 -4.167 -8.010 122 HE1 PHE 16 HE1 PHE 16 3.473 -4.192 -4.516 123 HE2 PHE 16 HE2 PHE 16 6.860 -2.372 -6.428 124 HZ PHE 16 HZ PHE 16 4.997 -2.193 -4.789 125 H LYS 17 HN LYS 17 8.224 -6.397 -7.950 126 HA LYS 17 HA LYS 17 9.438 -6.861 -5.253 127 1HB LYS 17 2HB LYS 17 10.445 -7.012 -8.004 128 2HB LYS 17 3HB LYS 17 11.434 -5.973 -7.001 129 1HG LYS 17 2HG LYS 17 12.106 -8.396 -7.143 130 2HG LYS 17 3HG LYS 17 12.025 -7.713 -5.510 131 1HD LYS 17 2HD LYS 17 10.168 -8.955 -4.886 132 2HD LYS 17 3HD LYS 17 9.544 -8.984 -6.522 133 1HE LYS 17 2HE LYS 17 10.169 -11.236 -5.884 134 2HE LYS 17 3HE LYS 17 11.225 -10.674 -7.187 135 1HZ LYS 17 2HNZ LYS 17 11.907 -10.722 -4.314 136 2HZ LYS 17 3HNZ LYS 17 12.454 -11.775 -5.451 137 3HZ LYS 17 1HNZ LYS 17 12.900 -10.191 -5.515 138 H CYS 18 HN CYS 18 9.591 -5.154 -3.957 139 HA CYS 18 HA CYS 18 9.339 -2.393 -5.168 140 1HB CYS 18 2HB CYS 18 7.265 -3.230 -4.033 141 2HB CYS 18 3HB CYS 18 8.209 -3.179 -2.544 142 HG CYS 18 HSG CYS 18 8.963 -0.645 -2.789 143 H ASP 19 HN ASP 19 11.041 -1.111 -4.759 144 HA ASP 19 HA ASP 19 13.122 -1.972 -2.989 145 1HB ASP 19 2HB ASP 19 12.747 0.781 -4.146 146 2HB ASP 19 3HB ASP 19 14.210 0.044 -3.471 147 H ASP 20 HN ASP 20 13.659 -1.322 -1.123 148 HA ASP 20 HA ASP 20 11.855 -0.587 0.941 149 1HB ASP 20 2HB ASP 20 14.186 -0.452 2.218 150 2HB ASP 20 3HB ASP 20 13.509 -1.976 1.671 151 H ASP 21 HN ASP 21 13.680 1.209 -1.268 152 HA ASP 21 HA ASP 21 13.462 3.742 0.285 153 1HB ASP 21 2HB ASP 21 15.182 2.956 -2.112 154 2HB ASP 21 3HB ASP 21 15.147 4.540 -1.341 155 H VAL 22 HN VAL 22 11.391 2.090 -1.640 156 HA VAL 22 HA VAL 22 10.543 4.577 -2.991 157 HB VAL 22 HB VAL 22 11.907 2.899 -4.499 158 1HG1 VAL 22 2HG1 VAL 22 10.321 0.943 -3.848 159 2HG1 VAL 22 3HG1 VAL 22 9.147 1.699 -4.929 160 3HG1 VAL 22 1HG1 VAL 22 10.732 1.174 -5.537 161 1HG2 VAL 22 1HG2 VAL 22 10.828 4.930 -5.302 162 2HG2 VAL 22 2HG2 VAL 22 10.576 3.587 -6.436 163 3HG2 VAL 22 3HG2 VAL 22 9.261 4.095 -5.357 164 H TYR 23 HN TYR 23 8.322 4.566 -3.627 165 HA TYR 23 HA TYR 23 6.721 3.569 -1.476 166 1HB TYR 23 2HB TYR 23 6.004 4.961 -4.051 167 2HB TYR 23 3HB TYR 23 4.919 4.803 -2.657 168 HD1 TYR 23 HD2 TYR 23 6.175 5.676 -0.357 169 HD2 TYR 23 HD1 TYR 23 7.023 6.982 -4.373 170 HE1 TYR 23 HE2 TYR 23 6.875 7.901 0.506 171 HE2 TYR 23 HE1 TYR 23 8.008 9.075 -3.483 172 HH TYR 23 HOH TYR 23 8.545 10.269 -1.564 173 H VAL 24 HN VAL 24 5.003 2.016 -1.595 174 HA VAL 24 HA VAL 24 5.149 -0.007 -3.683 175 HB VAL 24 HB VAL 24 2.779 0.317 -1.837 176 1HG1 VAL 24 2HG1 VAL 24 2.967 -1.524 -3.648 177 2HG1 VAL 24 3HG1 VAL 24 4.358 -2.120 -2.703 178 3HG1 VAL 24 1HG1 VAL 24 2.736 -2.099 -1.979 179 1HG2 VAL 24 3HG2 VAL 24 5.517 -0.612 -1.002 180 2HG2 VAL 24 1HG2 VAL 24 4.362 0.473 -0.176 181 3HG2 VAL 24 2HG2 VAL 24 4.028 -1.246 -0.252 182 H LEU 25 HN LEU 25 4.971 1.726 -5.288 183 HA LEU 25 HA LEU 25 2.630 1.150 -6.743 184 1HB LEU 25 2HB LEU 25 1.482 3.054 -7.084 185 2HB LEU 25 3HB LEU 25 1.820 3.224 -5.364 186 HG LEU 25 HG LEU 25 3.387 4.603 -7.631 187 1HD1 LEU 25 1HD1 LEU 25 1.180 5.554 -5.859 188 2HD1 LEU 25 2HD1 LEU 25 2.185 6.606 -6.896 189 3HD1 LEU 25 3HD1 LEU 25 1.140 5.371 -7.636 190 1HD2 LEU 25 1HD2 LEU 25 4.309 4.206 -5.100 191 2HD2 LEU 25 2HD2 LEU 25 4.602 5.718 -5.998 192 3HD2 LEU 25 3HD2 LEU 25 3.301 5.616 -4.804 193 H ASP 26 HN ASP 26 5.450 3.274 -6.391 194 HA ASP 26 HA ASP 26 5.775 4.050 -9.022 195 1HB ASP 26 2HB ASP 26 6.982 4.722 -6.794 196 2HB ASP 26 3HB ASP 26 8.137 3.464 -7.222 197 H GLN 27 HN GLN 27 7.471 1.400 -7.337 198 HA GLN 27 HA GLN 27 8.540 0.266 -9.722 199 1HB GLN 27 2HB GLN 27 8.222 -0.682 -6.874 200 2HB GLN 27 3HB GLN 27 8.635 -1.873 -8.126 201 1HG GLN 27 2HG GLN 27 10.206 0.655 -7.564 202 2HG GLN 27 3HG GLN 27 10.618 -0.971 -6.973 203 1HE2 GLN 27 2HNE GLN 27 11.662 0.214 -10.719 204 2HE2 GLN 27 1HNE GLN 27 11.065 1.269 -9.451 205 H ALA 28 HN ALA 28 5.441 -0.105 -8.069 206 HA ALA 28 HA ALA 28 4.648 -2.561 -9.226 207 1HB ALA 28 1HB ALA 28 3.534 -1.084 -7.360 208 2HB ALA 28 2HB ALA 28 2.630 -0.396 -8.743 209 3HB ALA 28 3HB ALA 28 2.558 -2.129 -8.391 210 H GLU 29 HN GLU 29 3.928 0.822 -10.237 211 HA GLU 29 HA GLU 29 2.728 0.234 -12.698 212 1HB GLU 29 2HB GLU 29 4.231 2.707 -11.727 213 2HB GLU 29 3HB GLU 29 3.345 2.619 -13.260 214 1HG GLU 29 2HG GLU 29 1.255 2.081 -12.072 215 2HG GLU 29 3HG GLU 29 2.093 2.133 -10.516 216 H GLU 30 HN GLU 30 6.231 0.775 -11.851 217 HA GLU 30 HA GLU 30 7.284 0.417 -14.442 218 1HB GLU 30 2HB GLU 30 8.509 -0.493 -11.842 219 2HB GLU 30 3HB GLU 30 9.314 -0.455 -13.388 220 1HG GLU 30 2HG GLU 30 8.045 2.148 -12.692 221 2HG GLU 30 3HG GLU 30 9.307 1.628 -11.578 222 H GLU 31 HN GLU 31 6.181 -2.146 -12.210 223 HA GLU 31 HA GLU 31 7.030 -4.210 -14.096 224 1HB GLU 31 2HB GLU 31 5.040 -4.534 -11.840 225 2HB GLU 31 3HB GLU 31 6.051 -5.765 -12.606 226 1HG GLU 31 2HG GLU 31 7.762 -3.639 -11.682 227 2HG GLU 31 3HG GLU 31 6.615 -3.943 -10.419 228 H GLY 32 HN GLY 32 4.298 -2.191 -13.662 229 1HA GLY 32 2HA GLY 32 2.970 -1.727 -15.677 230 2HA GLY 32 3HA GLY 32 2.825 -3.465 -15.962 231 H ILE 33 HN ILE 33 2.686 -2.581 -12.617 232 HA ILE 33 HA ILE 33 -0.037 -3.558 -12.489 233 HB ILE 33 HB ILE 33 1.823 -2.427 -10.396 234 1HG1 ILE 33 2HG1 ILE 33 1.251 -5.250 -11.311 235 2HG1 ILE 33 3HG1 ILE 33 2.757 -4.377 -11.572 236 1HG2 ILE 33 2HG2 ILE 33 -0.495 -2.349 -9.643 237 2HG2 ILE 33 3HG2 ILE 33 -0.719 -4.059 -10.068 238 3HG2 ILE 33 1HG2 ILE 33 0.383 -3.575 -8.756 239 1HD1 ILE 33 HD3 ILE 33 3.231 -4.301 -9.182 240 2HD1 ILE 33 HD1 ILE 33 1.783 -5.273 -8.851 241 3HD1 ILE 33 HD2 ILE 33 3.078 -5.929 -9.864 242 H ASP 34 HN ASP 34 -1.860 -2.462 -12.408 243 HA ASP 34 HA ASP 34 -1.935 0.466 -11.828 244 1HB ASP 34 2HB ASP 34 -3.139 -0.421 -13.845 245 2HB ASP 34 3HB ASP 34 -4.134 -1.429 -12.777 246 H ILE 35 HN ILE 35 -2.509 1.113 -9.873 247 HA ILE 35 HA ILE 35 -4.397 -0.409 -8.346 248 HB ILE 35 HB ILE 35 -3.106 -0.019 -6.196 249 1HG1 ILE 35 2HG1 ILE 35 -0.669 0.197 -7.995 250 2HG1 ILE 35 3HG1 ILE 35 -1.381 1.487 -7.015 251 1HG2 ILE 35 3HG2 ILE 35 -3.494 -2.246 -7.278 252 2HG2 ILE 35 1HG2 ILE 35 -1.884 -2.112 -8.003 253 3HG2 ILE 35 2HG2 ILE 35 -2.072 -2.159 -6.252 254 1HD1 ILE 35 HD3 ILE 35 -0.991 -0.039 -4.962 255 2HD1 ILE 35 HD1 ILE 35 0.044 -1.002 -6.036 256 3HD1 ILE 35 HD2 ILE 35 0.426 0.685 -5.727 257 HA PRO 36 HA PRO 36 -5.900 3.642 -7.870 258 1HB PRO 36 2HB PRO 36 -7.238 3.601 -5.461 259 2HB PRO 36 3HB PRO 36 -7.793 2.776 -6.945 260 1HG PRO 36 2HG PRO 36 -6.244 1.567 -4.652 261 2HG PRO 36 3HG PRO 36 -7.731 0.951 -5.450 262 1HD PRO 36 2HD PRO 36 -5.312 0.018 -6.151 263 2HD PRO 36 3HD PRO 36 -6.539 0.352 -7.415 264 H TYR 37 HN TYR 37 -3.767 4.610 -7.767 265 HA TYR 37 HA TYR 37 -2.699 5.360 -5.141 266 1HB TYR 37 2HB TYR 37 -1.127 5.059 -6.926 267 2HB TYR 37 3HB TYR 37 -2.012 6.156 -7.988 268 HD1 TYR 37 HD2 TYR 37 -1.020 6.627 -4.384 269 HD2 TYR 37 HD1 TYR 37 -0.479 7.914 -8.458 270 HE1 TYR 37 HE2 TYR 37 0.543 8.385 -3.618 271 HE2 TYR 37 HE1 TYR 37 1.118 9.638 -7.694 272 HH TYR 37 HOH TYR 37 2.577 10.134 -5.850 273 H SER 38 HN SER 38 -4.335 7.061 -7.842 274 HA SER 38 HA SER 38 -5.340 9.090 -7.987 275 1HB SER 38 2HB SER 38 -6.714 7.968 -6.068 276 2HB SER 38 3HB SER 38 -5.791 9.033 -5.001 277 HG SER 38 HOG SER 38 -7.608 10.120 -5.539 278 H CYS 39 HN CYS 39 -5.547 11.134 -6.183 279 HA CYS 39 HA CYS 39 -4.515 13.193 -5.874 280 1HB CYS 39 2HB CYS 39 -3.138 11.593 -3.807 281 2HB CYS 39 3HB CYS 39 -3.923 13.149 -3.615 282 H ARG 40 HN ARG 40 -1.895 13.030 -4.202 283 HA ARG 40 HA ARG 40 0.067 11.641 -5.299 284 1HB ARG 40 2HB ARG 40 0.275 12.808 -7.338 285 2HB ARG 40 3HB ARG 40 0.066 14.392 -6.563 286 1HG ARG 40 2HG ARG 40 2.267 14.283 -5.587 287 2HG ARG 40 3HG ARG 40 2.488 12.592 -6.095 288 1HD ARG 40 2HD ARG 40 2.583 13.214 -8.409 289 2HD ARG 40 3HD ARG 40 2.004 14.861 -8.048 290 HE ARG 40 HNE ARG 40 4.418 14.339 -6.605 291 1HH1 ARG 40 2HN2 ARG 40 3.322 14.893 -9.894 292 2HH1 ARG 40 1HN2 ARG 40 4.707 15.812 -10.400 293 1HH2 ARG 40 2HN1 ARG 40 6.288 15.581 -7.206 294 2HH2 ARG 40 1HN1 ARG 40 6.451 16.193 -8.818 295 H ALA 41 HN ALA 41 1.702 11.592 -3.785 296 HA ALA 41 HA ALA 41 3.099 12.181 -2.132 297 1HB ALA 41 2HB ALA 41 3.610 14.145 -3.478 298 2HB ALA 41 3HB ALA 41 2.350 15.073 -2.632 299 3HB ALA 41 1HB ALA 41 3.746 14.462 -1.739 300 H GLY 42 HN GLY 42 1.829 11.000 -0.701 301 1HA GLY 42 2HA GLY 42 0.113 10.977 1.110 302 2HA GLY 42 3HA GLY 42 1.789 11.011 1.655 303 H SER 43 HN SER 43 -1.019 13.058 1.086 304 HA SER 43 HA SER 43 -0.767 14.546 3.533 305 1HB SER 43 2HB SER 43 1.044 15.554 1.935 306 2HB SER 43 3HB SER 43 -0.318 16.139 0.975 307 HG SER 43 HOG SER 43 0.402 17.675 2.519 308 H CYS 44 HN CYS 44 -2.715 12.888 2.475 309 HA CYS 44 HA CYS 44 -4.992 14.485 1.611 310 1HB CYS 44 2HB CYS 44 -5.061 13.083 -0.523 311 2HB CYS 44 3HB CYS 44 -3.904 14.399 -0.438 312 H SER 45 HN SER 45 -6.800 12.818 1.071 313 HA SER 45 HA SER 45 -6.664 10.551 3.001 314 1HB SER 45 2HB SER 45 -8.720 12.786 3.137 315 2HB SER 45 3HB SER 45 -8.604 11.366 4.188 316 HG SER 45 HOG SER 45 -6.280 12.296 4.423 317 H SER 46 HN SER 46 -6.869 9.072 1.351 318 HA SER 46 HA SER 46 -9.470 8.255 0.697 319 1HB SER 46 2HB SER 46 -9.249 10.076 -1.065 320 2HB SER 46 3HB SER 46 -7.811 9.245 -1.675 321 HG SER 46 HOG SER 46 -10.487 8.232 -1.553 322 H CYS 47 HN CYS 47 -8.502 6.732 -1.557 323 HA CYS 47 HA CYS 47 -7.591 4.564 -1.728 324 1HB CYS 47 2HB CYS 47 -5.236 5.257 -2.652 325 2HB CYS 47 3HB CYS 47 -6.789 5.539 -3.419 326 H ALA 48 HN ALA 48 -7.069 2.852 -0.631 327 HA ALA 48 HA ALA 48 -4.763 2.781 1.223 328 1HB ALA 48 2HB ALA 48 -7.635 2.518 2.146 329 2HB ALA 48 3HB ALA 48 -6.203 2.077 3.103 330 3HB ALA 48 1HB ALA 48 -6.442 3.760 2.600 331 H GLY 49 HN GLY 49 -4.659 0.620 2.272 332 1HA GLY 49 2HA GLY 49 -5.849 -1.590 0.750 333 2HA GLY 49 3HA GLY 49 -4.091 -1.508 0.899 334 H LYS 50 HN LYS 50 -5.515 -3.695 1.964 335 HA LYS 50 HA LYS 50 -5.569 -3.336 4.841 336 1HB LYS 50 2HB LYS 50 -7.302 -4.446 3.229 337 2HB LYS 50 3HB LYS 50 -6.298 -5.884 3.390 338 1HG LYS 50 2HG LYS 50 -6.667 -6.011 5.759 339 2HG LYS 50 3HG LYS 50 -7.245 -4.333 5.807 340 1HD LYS 50 2HD LYS 50 -9.078 -5.016 4.211 341 2HD LYS 50 3HD LYS 50 -8.699 -6.714 4.612 342 1HE LYS 50 2HE LYS 50 -9.184 -6.292 7.001 343 2HE LYS 50 3HE LYS 50 -9.218 -4.573 6.737 344 1HZ LYS 50 1HNZ LYS 50 -11.132 -4.934 5.191 345 2HZ LYS 50 2HNZ LYS 50 -11.311 -6.421 5.876 346 3HZ LYS 50 3HNZ LYS 50 -11.404 -5.028 6.778 347 H VAL 51 HN VAL 51 -3.670 -3.816 5.942 348 HA VAL 51 HA VAL 51 -1.455 -5.290 4.766 349 HB VAL 51 HB VAL 51 -2.049 -4.543 7.690 350 1HG1 VAL 51 1HG1 VAL 51 0.593 -5.324 6.376 351 2HG1 VAL 51 2HG1 VAL 51 0.369 -4.771 8.051 352 3HG1 VAL 51 3HG1 VAL 51 -0.331 -6.308 7.537 353 1HG2 VAL 51 1HG2 VAL 51 -0.382 -3.058 5.632 354 2HG2 VAL 51 2HG2 VAL 51 -1.929 -2.527 6.356 355 3HG2 VAL 51 3HG2 VAL 51 -0.484 -2.640 7.356 356 H VAL 52 HN VAL 52 -1.557 -7.430 4.429 357 HA VAL 52 HA VAL 52 -3.253 -9.167 6.148 358 HB VAL 52 HB VAL 52 -1.536 -9.706 3.725 359 1HG1 VAL 52 1HG1 VAL 52 -3.530 -11.522 5.157 360 2HG1 VAL 52 2HG1 VAL 52 -2.735 -11.891 3.611 361 3HG1 VAL 52 3HG1 VAL 52 -1.770 -11.767 5.084 362 1HG2 VAL 52 3HG2 VAL 52 -4.515 -9.244 4.065 363 2HG2 VAL 52 1HG2 VAL 52 -3.359 -8.378 3.025 364 3HG2 VAL 52 2HG2 VAL 52 -3.829 -10.041 2.643 365 H SER 53 HN SER 53 0.209 -8.580 5.280 366 HA SER 53 HA SER 53 1.084 -9.510 7.866 367 1HB SER 53 2HB SER 53 0.690 -11.705 6.668 368 2HB SER 53 3HB SER 53 1.891 -11.201 5.458 369 HG SER 53 HOG SER 53 2.823 -12.469 7.144 370 H GLY 54 HN GLY 54 3.626 -9.770 7.631 371 1HA GLY 54 2HA GLY 54 5.619 -8.570 7.352 372 2HA GLY 54 3HA GLY 54 4.956 -7.853 5.889 373 H SER 55 HN SER 55 6.146 -5.915 6.833 374 HA SER 55 HA SER 55 4.145 -4.196 8.114 375 1HB SER 55 2HB SER 55 7.048 -4.075 8.956 376 2HB SER 55 3HB SER 55 5.654 -3.305 9.717 377 HG SER 55 HOG SER 55 6.456 -5.198 10.855 378 H ILE 56 HN ILE 56 4.525 -1.955 7.367 379 HA ILE 56 HA ILE 56 6.794 -1.435 5.636 380 HB ILE 56 HB ILE 56 5.402 -0.526 3.888 381 1HG1 ILE 56 2HG1 ILE 56 2.961 -1.610 5.315 382 2HG1 ILE 56 3HG1 ILE 56 3.383 0.087 5.098 383 1HG2 ILE 56 2HG2 ILE 56 6.039 -3.063 3.972 384 2HG2 ILE 56 3HG2 ILE 56 4.332 -3.294 4.337 385 3HG2 ILE 56 1HG2 ILE 56 4.825 -2.557 2.794 386 1HD1 ILE 56 HD1 ILE 56 3.509 -0.540 2.516 387 2HD1 ILE 56 HD2 ILE 56 2.576 -1.971 2.995 388 3HD1 ILE 56 HD3 ILE 56 1.914 -0.358 3.222 389 H ASP 57 HN ASP 57 6.963 0.946 5.335 390 HA ASP 57 HA ASP 57 6.030 2.354 7.803 391 1HB ASP 57 2HB ASP 57 8.447 2.236 7.627 392 2HB ASP 57 3HB ASP 57 8.400 2.801 5.948 393 H GLN 58 HN GLN 58 4.131 3.289 7.296 394 HA GLN 58 HA GLN 58 3.964 4.982 4.834 395 1HB GLN 58 2HB GLN 58 1.532 4.985 5.398 396 2HB GLN 58 3HB GLN 58 2.174 3.406 4.923 397 1HG GLN 58 2HG GLN 58 2.167 2.609 7.148 398 2HG GLN 58 3HG GLN 58 2.024 4.231 7.839 399 1HE2 GLN 58 2HNE GLN 58 -1.224 2.427 8.033 400 2HE2 GLN 58 1HNE GLN 58 0.421 2.150 8.582 401 H SER 59 HN SER 59 5.649 5.798 7.165 402 HA SER 59 HA SER 59 4.420 7.649 8.785 403 1HB SER 59 2HB SER 59 7.062 7.924 7.284 404 2HB SER 59 3HB SER 59 6.523 9.015 8.577 405 HG SER 59 HOG SER 59 6.994 6.222 8.749 406 H ASP 60 HN ASP 60 5.052 8.026 5.314 407 HA ASP 60 HA ASP 60 4.058 10.779 5.158 408 1HB ASP 60 2HB ASP 60 4.790 8.688 3.075 409 2HB ASP 60 3HB ASP 60 4.251 10.331 2.684 410 H GLN 61 HN GLN 61 2.197 9.325 6.495 411 HA GLN 61 HA GLN 61 -0.032 8.846 4.596 412 1HB GLN 61 2HB GLN 61 -1.218 7.891 6.498 413 2HB GLN 61 3HB GLN 61 0.291 7.073 6.124 414 1HG GLN 61 2HG GLN 61 1.321 8.537 8.078 415 2HG GLN 61 3HG GLN 61 -0.368 8.796 8.540 416 1HE2 GLN 61 2HNE GLN 61 -0.770 5.117 9.000 417 2HE2 GLN 61 1HNE GLN 61 -1.496 6.346 7.969 418 H SER 62 HN SER 62 0.407 10.592 7.687 419 HA SER 62 HA SER 62 -1.028 12.077 8.684 420 1HB SER 62 2HB SER 62 -0.705 13.409 5.960 421 2HB SER 62 3HB SER 62 -1.205 14.216 7.456 422 HG SER 62 HOG SER 62 0.835 13.498 8.363 423 H PHE 63 HN PHE 63 -2.497 9.910 7.886 424 HA PHE 63 HA PHE 63 -5.121 11.091 7.461 425 1HB PHE 63 2HB PHE 63 -4.605 10.933 5.190 426 2HB PHE 63 3HB PHE 63 -3.826 9.367 5.353 427 HD1 PHE 63 HD2 PHE 63 -7.243 10.320 6.733 428 HD2 PHE 63 HD1 PHE 63 -5.019 8.122 3.729 429 HE1 PHE 63 HE2 PHE 63 -9.263 9.065 6.133 430 HE2 PHE 63 HE1 PHE 63 -6.976 6.707 3.359 431 HZ PHE 63 HZ PHE 63 -9.154 7.269 4.410 432 H LEU 64 HN LEU 64 -3.776 7.686 7.083 433 HA LEU 64 HA LEU 64 -6.110 6.719 8.182 434 1HB LEU 64 2HB LEU 64 -3.371 5.356 8.071 435 2HB LEU 64 3HB LEU 64 -4.800 4.592 8.701 436 HG LEU 64 HG LEU 64 -5.967 5.157 6.450 437 1HD1 LEU 64 1HD1 LEU 64 -3.041 5.252 5.625 438 2HD1 LEU 64 2HD1 LEU 64 -4.440 5.163 4.525 439 3HD1 LEU 64 3HD1 LEU 64 -4.176 6.608 5.498 440 1HD2 LEU 64 2HD2 LEU 64 -3.753 3.105 6.782 441 2HD2 LEU 64 3HD2 LEU 64 -5.451 2.919 7.255 442 3HD2 LEU 64 1HD2 LEU 64 -5.030 3.020 5.536 443 H ASP 65 HN ASP 65 -6.808 6.038 10.165 444 HA ASP 65 HA ASP 65 -5.460 7.236 12.447 445 1HB ASP 65 2HB ASP 65 -7.957 5.518 12.452 446 2HB ASP 65 3HB ASP 65 -7.473 6.721 13.656 447 H ASP 66 HN ASP 66 -5.272 6.000 14.503 448 HA ASP 66 HA ASP 66 -3.513 3.797 14.368 449 1HB ASP 66 2HB ASP 66 -5.372 4.777 16.591 450 2HB ASP 66 3HB ASP 66 -4.152 3.512 16.793 451 H GLU 67 HN GLU 67 -7.025 4.051 14.806 452 HA GLU 67 HA GLU 67 -7.671 1.407 15.299 453 1HB GLU 67 2HB GLU 67 -9.512 2.972 13.465 454 2HB GLU 67 3HB GLU 67 -9.839 2.024 14.914 455 1HG GLU 67 2HG GLU 67 -8.655 3.945 16.176 456 2HG GLU 67 3HG GLU 67 -8.871 4.859 14.665 457 H GLN 68 HN GLN 68 -7.799 3.037 12.082 458 HA GLN 68 HA GLN 68 -8.195 0.814 10.521 459 1HB GLN 68 2HB GLN 68 -6.622 3.323 9.919 460 2HB GLN 68 3HB GLN 68 -7.174 2.173 8.695 461 1HG GLN 68 2HG GLN 68 -9.469 2.491 9.185 462 2HG GLN 68 3HG GLN 68 -9.109 3.508 10.582 463 1HE2 GLN 68 2HNE GLN 68 -9.927 5.723 7.774 464 2HE2 GLN 68 1HNE GLN 68 -10.784 4.437 8.590 465 H MET 69 HN MET 69 -4.956 2.249 11.423 466 HA MET 69 HA MET 69 -3.364 0.361 10.078 467 1HB MET 69 2HB MET 69 -2.816 1.843 12.668 468 2HB MET 69 3HB MET 69 -1.645 0.932 11.708 469 1HG MET 69 2HG MET 69 -2.261 2.432 9.724 470 2HG MET 69 3HG MET 69 -3.228 3.347 10.821 471 1HE MET 69 HE2 MET 69 -2.289 5.540 10.652 472 2HE MET 69 HE3 MET 69 -2.395 5.160 12.387 473 3HE MET 69 HE1 MET 69 -0.981 6.042 11.752 474 H ASP 70 HN ASP 70 -4.391 0.226 13.519 475 HA ASP 70 HA ASP 70 -3.255 -2.271 14.189 476 1HB ASP 70 2HB ASP 70 -4.174 -0.552 15.794 477 2HB ASP 70 3HB ASP 70 -5.800 -0.960 15.259 478 H ALA 71 HN ALA 71 -6.391 -1.368 12.934 479 HA ALA 71 HA ALA 71 -7.734 -3.876 13.027 480 1HB ALA 71 3HB ALA 71 -8.107 -1.424 11.275 481 2HB ALA 71 1HB ALA 71 -9.281 -2.757 11.384 482 3HB ALA 71 2HB ALA 71 -8.923 -1.757 12.811 483 H GLY 72 HN GLY 72 -5.290 -2.659 10.828 484 1HA GLY 72 2HA GLY 72 -4.070 -4.402 9.681 485 2HA GLY 72 3HA GLY 72 -5.574 -5.151 9.196 486 H TYR 73 HN TYR 73 -5.045 -1.578 9.095 487 HA TYR 73 HA TYR 73 -5.143 -1.774 6.113 488 1HB TYR 73 2HB TYR 73 -6.282 0.320 7.920 489 2HB TYR 73 3HB TYR 73 -6.239 0.383 6.168 490 HD1 TYR 73 HD2 TYR 73 -7.307 -1.474 4.799 491 HD2 TYR 73 HD1 TYR 73 -8.121 -0.870 8.984 492 HE1 TYR 73 HE2 TYR 73 -9.517 -2.467 4.509 493 HE2 TYR 73 HE1 TYR 73 -10.356 -1.854 8.698 494 HH TYR 73 HOH TYR 73 -11.557 -2.972 5.519 495 H VAL 74 HN VAL 74 -4.235 0.106 4.898 496 HA VAL 74 HA VAL 74 -2.121 1.619 6.186 497 HB VAL 74 HB VAL 74 -1.043 -0.523 6.003 498 1HG1 VAL 74 3HG1 VAL 74 -1.788 -0.501 3.045 499 2HG1 VAL 74 1HG1 VAL 74 -0.627 -1.604 3.794 500 3HG1 VAL 74 2HG1 VAL 74 -2.335 -1.664 4.258 501 1HG2 VAL 74 2HG2 VAL 74 0.135 1.676 5.300 502 2HG2 VAL 74 3HG2 VAL 74 0.906 0.122 5.058 503 3HG2 VAL 74 1HG2 VAL 74 0.129 0.966 3.686 504 H LEU 75 HN LEU 75 -1.382 3.281 4.835 505 HA LEU 75 HA LEU 75 -3.105 4.292 2.885 506 1HB LEU 75 2HB LEU 75 -1.318 5.519 4.245 507 2HB LEU 75 3HB LEU 75 -0.103 4.772 3.210 508 HG LEU 75 HG LEU 75 -1.195 5.890 1.257 509 1HD1 LEU 75 1HD1 LEU 75 -2.762 7.361 3.425 510 2HD1 LEU 75 2HD1 LEU 75 -2.680 7.842 1.718 511 3HD1 LEU 75 3HD1 LEU 75 -3.461 6.328 2.153 512 1HD2 LEU 75 3HD2 LEU 75 0.395 7.083 3.381 513 2HD2 LEU 75 1HD2 LEU 75 0.538 7.280 1.642 514 3HD2 LEU 75 2HD2 LEU 75 -0.560 8.321 2.518 515 H THR 76 HN THR 76 0.015 2.606 2.433 516 HA THR 76 HA THR 76 0.884 1.426 0.711 517 HB THR 76 HB THR 76 -1.700 1.657 -0.878 518 HG1 THR 76 HG1 THR 76 -1.766 0.663 1.302 519 1HG2 THR 76 2HG2 THR 76 0.310 0.962 -2.168 520 2HG2 THR 76 3HG2 THR 76 0.593 -0.337 -0.981 521 3HG2 THR 76 1HG2 THR 76 -0.872 -0.342 -1.980 522 H CYS 77 HN CYS 77 -1.190 4.069 -0.518 523 HA CYS 77 HA CYS 77 -0.163 4.976 -2.717 524 1HB CYS 77 2HB CYS 77 -0.514 7.067 -0.555 525 2HB CYS 77 3HB CYS 77 -0.841 7.124 -2.260 526 H HIS 78 HN HIS 78 1.201 6.188 0.290 527 HA HIS 78 HA HIS 78 3.933 6.333 -0.886 528 1HB HIS 78 2HB HIS 78 2.372 8.435 0.601 529 2HB HIS 78 3HB HIS 78 4.061 8.237 1.031 530 HD1 HIS 78 HND HIS 78 5.242 10.190 0.111 531 HD2 HIS 78 HD HIS 78 2.795 8.179 -2.664 532 HE1 HIS 78 HE HIS 78 5.709 11.229 -2.176 533 H ALA 79 HN ALA 79 3.365 3.979 0.055 534 HA ALA 79 HA ALA 79 4.491 3.944 2.845 535 1HB ALA 79 1HB ALA 79 2.276 2.842 2.550 536 2HB ALA 79 2HB ALA 79 3.041 1.726 1.392 537 3HB ALA 79 3HB ALA 79 3.580 1.764 3.087 538 H TYR 80 HN TYR 80 6.420 2.996 3.180 539 HA TYR 80 HA TYR 80 8.030 2.042 0.834 540 1HB TYR 80 2HB TYR 80 8.766 2.890 3.655 541 2HB TYR 80 3HB TYR 80 9.873 2.247 2.444 542 HD1 TYR 80 HD1 TYR 80 10.316 3.474 0.347 543 HD2 TYR 80 HD2 TYR 80 7.985 5.208 3.525 544 HE1 TYR 80 HE1 TYR 80 10.632 5.718 -0.642 545 HE2 TYR 80 HE2 TYR 80 8.387 7.462 2.597 546 HH TYR 80 HOH TYR 80 9.266 8.668 0.817 547 HA PRO 81 HA PRO 81 7.332 -2.004 2.720 548 1HB PRO 81 2HB PRO 81 8.824 -3.481 0.858 549 2HB PRO 81 3HB PRO 81 7.105 -3.040 0.728 550 1HG PRO 81 2HG PRO 81 9.379 -1.919 -0.811 551 2HG PRO 81 3HG PRO 81 7.619 -1.773 -1.057 552 1HD PRO 81 2HD PRO 81 9.321 0.219 0.044 553 2HD PRO 81 3HD PRO 81 7.566 0.247 -0.261 554 H THR 82 HN THR 82 8.497 -2.449 4.666 555 HA THR 82 HA THR 82 11.430 -2.048 4.575 556 HB THR 82 HB THR 82 11.137 -2.244 7.068 557 HG1 THR 82 HG1 THR 82 8.978 -1.939 7.775 558 1HG2 THR 82 3HG2 THR 82 11.321 -0.085 5.814 559 2HG2 THR 82 1HG2 THR 82 9.557 -0.055 5.627 560 3HG2 THR 82 2HG2 THR 82 10.278 0.059 7.245 561 H SER 83 HN SER 83 9.258 -4.650 4.199 562 HA SER 83 HA SER 83 11.429 -6.469 4.012 563 1HB SER 83 2HB SER 83 9.305 -6.936 6.181 564 2HB SER 83 3HB SER 83 10.387 -8.205 5.595 565 HG SER 83 HOG SER 83 11.700 -5.921 6.386 566 H ASP 84 HN ASP 84 10.165 -8.822 3.608 567 HA ASP 84 HA ASP 84 8.408 -8.467 1.372 568 1HB ASP 84 2HB ASP 84 8.009 -10.913 1.767 569 2HB ASP 84 3HB ASP 84 9.714 -10.495 1.554 570 H VAL 85 HN VAL 85 6.239 -8.524 1.350 571 HA VAL 85 HA VAL 85 4.688 -8.503 3.850 572 HB VAL 85 HB VAL 85 5.774 -6.362 3.986 573 1HG1 VAL 85 3HG1 VAL 85 6.439 -6.134 1.605 574 2HG1 VAL 85 1HG1 VAL 85 4.766 -5.685 1.218 575 3HG1 VAL 85 2HG1 VAL 85 5.755 -4.668 2.279 576 1HG2 VAL 85 2HG2 VAL 85 2.878 -6.420 3.745 577 2HG2 VAL 85 3HG2 VAL 85 3.920 -5.456 4.775 578 3HG2 VAL 85 1HG2 VAL 85 3.489 -4.921 3.131 579 H VAL 86 HN VAL 86 2.460 -8.396 3.627 580 HA VAL 86 HA VAL 86 1.459 -8.898 0.861 581 HB VAL 86 HB VAL 86 0.658 -10.378 3.405 582 1HG1 VAL 86 2HG1 VAL 86 -1.158 -10.075 1.628 583 2HG1 VAL 86 3HG1 VAL 86 -0.068 -10.864 0.507 584 3HG1 VAL 86 1HG1 VAL 86 -0.692 -11.767 1.893 585 1HG2 VAL 86 2HG2 VAL 86 2.336 -11.289 1.015 586 2HG2 VAL 86 3HG2 VAL 86 2.876 -11.175 2.701 587 3HG2 VAL 86 1HG2 VAL 86 1.666 -12.380 2.244 588 H ILE 87 HN ILE 87 -0.069 -7.413 0.363 589 HA ILE 87 HA ILE 87 -1.841 -6.474 2.492 590 HB ILE 87 HB ILE 87 -0.254 -4.812 2.515 591 1HG1 ILE 87 2HG1 ILE 87 -2.662 -3.990 2.029 592 2HG1 ILE 87 3HG1 ILE 87 -1.316 -2.851 1.979 593 1HG2 ILE 87 1HG2 ILE 87 0.073 -4.973 -0.428 594 2HG2 ILE 87 2HG2 ILE 87 0.647 -3.600 0.542 595 3HG2 ILE 87 3HG2 ILE 87 1.278 -5.231 0.846 596 1HD1 ILE 87 HD3 ILE 87 -1.973 -4.283 -0.549 597 2HD1 ILE 87 HD1 ILE 87 -3.022 -2.977 -0.047 598 3HD1 ILE 87 HD2 ILE 87 -1.290 -2.670 -0.285 599 H GLU 88 HN GLU 88 -3.901 -5.807 1.701 600 HA GLU 88 HA GLU 88 -4.567 -6.698 -1.081 601 1HB GLU 88 2HB GLU 88 -6.490 -5.923 1.057 602 2HB GLU 88 3HB GLU 88 -6.826 -6.853 -0.413 603 1HG GLU 88 2HG GLU 88 -5.738 -8.787 0.654 604 2HG GLU 88 3HG GLU 88 -5.283 -7.761 2.026 605 H THR 89 HN THR 89 -4.702 -5.066 -2.559 606 HA THR 89 HA THR 89 -4.912 -2.269 -1.640 607 HB THR 89 HB THR 89 -4.724 -1.949 -4.222 608 HG1 THR 89 HG1 THR 89 -5.333 -4.260 -4.555 609 1HG2 THR 89 2HG2 THR 89 -2.581 -3.345 -2.601 610 2HG2 THR 89 3HG2 THR 89 -2.301 -2.474 -4.110 611 3HG2 THR 89 1HG2 THR 89 -2.874 -1.594 -2.685 612 H HIS 90 HN HIS 90 -6.422 -0.815 -2.941 613 HA HIS 90 HA HIS 90 -8.454 -0.098 -3.593 614 1HB HIS 90 2HB HIS 90 -9.314 -2.989 -4.022 615 2HB HIS 90 3HB HIS 90 -10.135 -1.539 -4.560 616 HD1 HIS 90 HND HIS 90 -6.374 -1.792 -5.245 617 HD2 HIS 90 HD HIS 90 -10.092 -2.456 -7.062 618 HE1 HIS 90 HE HIS 90 -5.881 -2.438 -7.651 619 H LYS 91 HN LYS 91 -8.024 0.069 -1.002 620 HA LYS 91 HA LYS 91 -10.543 -0.888 0.313 621 1HB LYS 91 2HB LYS 91 -7.805 -0.501 1.579 622 2HB LYS 91 3HB LYS 91 -9.220 -1.219 2.330 623 1HG LYS 91 2HG LYS 91 -7.802 -2.411 -0.112 624 2HG LYS 91 3HG LYS 91 -7.583 -2.921 1.558 625 1HD LYS 91 2HD LYS 91 -9.728 -3.479 1.892 626 2HD LYS 91 3HD LYS 91 -10.315 -2.941 0.323 627 1HE LYS 91 2HE LYS 91 -9.581 -4.746 -0.835 628 2HE LYS 91 3HE LYS 91 -8.155 -4.915 0.171 629 1HZ LYS 91 1HNZ LYS 91 -10.885 -5.578 1.131 630 2HZ LYS 91 2HNZ LYS 91 -9.661 -6.733 0.700 631 3HZ LYS 91 3HNZ LYS 91 -9.484 -5.780 1.932 632 H GLU 92 HN GLU 92 -10.030 1.617 -1.072 633 HA GLU 92 HA GLU 92 -9.887 3.803 0.740 634 1HB GLU 92 2HB GLU 92 -9.684 3.994 -1.644 635 2HB GLU 92 3HB GLU 92 -11.242 3.298 -1.962 636 1HG GLU 92 2HG GLU 92 -11.161 5.807 -0.269 637 2HG GLU 92 3HG GLU 92 -10.657 5.942 -1.961 638 H GLU 93 HN GLU 93 -12.957 2.602 -0.723 639 HA GLU 93 HA GLU 93 -14.373 3.436 1.626 640 1HB GLU 93 2HB GLU 93 -15.052 2.978 -1.071 641 2HB GLU 93 3HB GLU 93 -15.955 1.742 -0.210 642 1HG GLU 93 2HG GLU 93 -16.823 3.590 1.312 643 2HG GLU 93 3HG GLU 93 -15.960 4.748 0.276 644 H GLU 94 HN GLU 94 -12.490 1.573 2.435 645 HA GLU 94 HA GLU 94 -14.289 -0.320 3.855 646 1HB GLU 94 2HB GLU 94 -11.369 -0.760 3.068 647 2HB GLU 94 3HB GLU 94 -12.133 -1.472 4.479 648 1HG GLU 94 2HG GLU 94 -13.889 -2.461 2.880 649 2HG GLU 94 3HG GLU 94 -12.762 -2.043 1.588 650 H ILE 95 HN ILE 95 -11.381 1.873 3.949 651 HA ILE 95 HA ILE 95 -11.165 1.503 6.754 652 HB ILE 95 HB ILE 95 -9.309 3.061 6.581 653 1HG1 ILE 95 2HG1 ILE 95 -9.813 3.204 3.589 654 2HG1 ILE 95 3HG1 ILE 95 -10.426 4.438 4.697 655 1HG2 ILE 95 2HG2 ILE 95 -9.103 0.731 6.167 656 2HG2 ILE 95 3HG2 ILE 95 -9.384 0.892 4.430 657 3HG2 ILE 95 1HG2 ILE 95 -7.938 1.605 5.162 658 1HD1 ILE 95 HD3 ILE 95 -7.504 3.720 4.614 659 2HD1 ILE 95 HD1 ILE 95 -8.292 4.970 3.618 660 3HD1 ILE 95 HD2 ILE 95 -8.298 5.097 5.400 661 H VAL 96 HN VAL 96 -12.692 4.018 4.833 662 HA VAL 96 HA VAL 96 -13.026 5.747 7.222 663 HB VAL 96 HB VAL 96 -14.079 7.307 5.598 664 1HG1 VAL 96 2HG1 VAL 96 -11.722 7.532 6.288 665 2HG1 VAL 96 3HG1 VAL 96 -11.229 6.438 4.985 666 3HG1 VAL 96 1HG1 VAL 96 -11.931 8.016 4.596 667 1HG2 VAL 96 1HG2 VAL 96 -14.691 5.606 3.834 668 2HG2 VAL 96 2HG2 VAL 96 -13.810 7.012 3.216 669 3HG2 VAL 96 3HG2 VAL 96 -12.967 5.473 3.428 No H/Q in entry = 668 Start of MODEL 4 1 1H ALA 1 1HN ALA 1 17.701 -3.042 0.373 2 2H ALA 1 2HN ALA 1 16.573 -3.064 -0.751 3 2H ALA 1 3HN ALA 1 16.573 -3.064 -0.751 4 HA ALA 1 HA ALA 1 17.881 -5.501 0.045 5 1HB ALA 1 3HB ALA 1 17.073 -4.329 2.101 6 2HB ALA 1 1HB ALA 1 15.420 -4.447 1.452 7 3HB ALA 1 2HB ALA 1 16.338 -5.913 1.803 8 H THR 2 HN THR 2 14.741 -4.031 -0.890 9 HA THR 2 HA THR 2 13.444 -4.478 -2.705 10 HB THR 2 HB THR 2 15.533 -6.419 -3.663 11 HG1 THR 2 HG1 THR 2 15.578 -3.610 -4.067 12 1HG2 THR 2 3HG2 THR 2 13.638 -4.518 -5.119 13 2HG2 THR 2 1HG2 THR 2 14.856 -5.559 -5.877 14 3HG2 THR 2 2HG2 THR 2 13.475 -6.285 -5.033 15 H TYR 3 HN TYR 3 11.738 -5.294 -1.541 16 HA TYR 3 HA TYR 3 11.791 -8.207 -0.909 17 1HB TYR 3 2HB TYR 3 10.038 -5.980 0.137 18 2HB TYR 3 3HB TYR 3 10.098 -7.642 0.729 19 HD1 TYR 3 HD2 TYR 3 12.659 -8.470 1.311 20 HD2 TYR 3 HD1 TYR 3 11.202 -4.419 1.444 21 HE1 TYR 3 HE2 TYR 3 14.389 -7.897 2.990 22 HE2 TYR 3 HE1 TYR 3 12.791 -3.916 3.270 23 HH TYR 3 HOH TYR 3 14.432 -4.735 4.639 24 H ASN 4 HN ASN 4 9.884 -9.423 -1.022 25 HA ASN 4 HA ASN 4 8.485 -9.175 -3.570 26 1HB ASN 4 2HB ASN 4 9.536 -11.259 -2.712 27 2HB ASN 4 3HB ASN 4 8.440 -11.275 -1.350 28 1HD2 ASN 4 2HND ASN 4 5.630 -12.440 -3.145 29 2HD2 ASN 4 1HND ASN 4 6.157 -11.356 -1.838 30 H VAL 5 HN VAL 5 6.991 -7.457 -3.289 31 HA VAL 5 HA VAL 5 5.196 -7.499 -0.927 32 HB VAL 5 HB VAL 5 5.399 -5.572 -3.250 33 1HG1 VAL 5 2HG1 VAL 5 3.685 -5.515 -0.713 34 2HG1 VAL 5 3HG1 VAL 5 3.980 -4.100 -1.732 35 3HG1 VAL 5 1HG1 VAL 5 3.136 -5.508 -2.381 36 1HG2 VAL 5 2HG2 VAL 5 6.444 -5.436 -0.386 37 2HG2 VAL 5 3HG2 VAL 5 7.393 -5.405 -1.879 38 3HG2 VAL 5 1HG2 VAL 5 6.342 -4.038 -1.472 39 H LYS 6 HN LYS 6 3.216 -8.606 -1.081 40 HA LYS 6 HA LYS 6 2.082 -9.014 -3.801 41 1HB LYS 6 2HB LYS 6 2.185 -10.894 -2.207 42 2HB LYS 6 3HB LYS 6 1.088 -10.018 -1.142 43 1HG LYS 6 2HG LYS 6 -0.573 -9.836 -3.082 44 2HG LYS 6 3HG LYS 6 0.531 -10.820 -4.046 45 1HD LYS 6 2HD LYS 6 -0.956 -11.623 -1.496 46 2HD LYS 6 3HD LYS 6 -1.249 -12.081 -3.159 47 1HE LYS 6 2HE LYS 6 1.262 -12.863 -3.119 48 2HE LYS 6 3HE LYS 6 1.063 -12.891 -1.375 49 1HZ LYS 6 1HNZ LYS 6 -0.734 -14.215 -3.370 50 2HZ LYS 6 2HNZ LYS 6 0.566 -14.993 -2.714 51 3HZ LYS 6 3HNZ LYS 6 -0.720 -14.527 -1.770 52 H LEU 7 HN LEU 7 0.537 -7.780 -4.608 53 HA LEU 7 HA LEU 7 -1.251 -6.260 -2.742 54 1HB LEU 7 2HB LEU 7 -0.764 -5.807 -5.663 55 2HB LEU 7 3HB LEU 7 -1.671 -4.768 -4.590 56 HG LEU 7 HG LEU 7 1.319 -5.312 -4.598 57 1HD1 LEU 7 2HD1 LEU 7 -0.326 -3.352 -5.935 58 2HD1 LEU 7 3HD1 LEU 7 0.845 -2.557 -4.867 59 3HD1 LEU 7 1HD1 LEU 7 1.403 -3.679 -6.118 60 1HD2 LEU 7 3HD2 LEU 7 -0.301 -3.551 -2.727 61 2HD2 LEU 7 1HD2 LEU 7 0.739 -4.941 -2.321 62 3HD2 LEU 7 2HD2 LEU 7 1.469 -3.452 -2.896 63 H ILE 8 HN ILE 8 -2.902 -7.591 -2.232 64 HA ILE 8 HA ILE 8 -4.037 -9.399 -4.271 65 HB ILE 8 HB ILE 8 -4.760 -8.679 -1.445 66 1HG1 ILE 8 2HG1 ILE 8 -3.913 -11.381 -2.400 67 2HG1 ILE 8 3HG1 ILE 8 -2.715 -10.128 -2.019 68 1HG2 ILE 8 1HG2 ILE 8 -6.119 -10.642 -3.343 69 2HG2 ILE 8 2HG2 ILE 8 -6.430 -10.555 -1.599 70 3HG2 ILE 8 3HG2 ILE 8 -6.858 -9.193 -2.629 71 1HD1 ILE 8 HD1 ILE 8 -4.819 -11.122 -0.068 72 2HD1 ILE 8 HD2 ILE 8 -3.105 -11.575 -0.091 73 3HD1 ILE 8 HD3 ILE 8 -3.566 -9.891 0.229 74 H THR 9 HN THR 9 -4.496 -8.052 -5.948 75 HA THR 9 HA THR 9 -6.358 -5.838 -5.572 76 HB THR 9 HB THR 9 -6.092 -5.603 -7.956 77 HG1 THR 9 HG1 THR 9 -5.663 -7.942 -8.367 78 1HG2 THR 9 3HG2 THR 9 -3.439 -6.073 -6.520 79 2HG2 THR 9 1HG2 THR 9 -3.595 -5.235 -8.072 80 3HG2 THR 9 2HG2 THR 9 -4.329 -4.527 -6.627 81 HA PRO 10 HA PRO 10 -10.010 -8.256 -6.508 82 1HB PRO 10 2HB PRO 10 -10.844 -6.306 -8.527 83 2HB PRO 10 3HB PRO 10 -11.676 -6.833 -7.026 84 1HG PRO 10 2HG PRO 10 -10.420 -4.450 -7.446 85 2HG PRO 10 3HG PRO 10 -10.592 -5.136 -5.812 86 1HD PRO 10 2HD PRO 10 -8.223 -4.936 -7.478 87 2HD PRO 10 3HD PRO 10 -8.339 -5.129 -5.767 88 H ASP 11 HN ASP 11 -8.096 -6.966 -9.181 89 HA ASP 11 HA ASP 11 -8.840 -8.510 -11.393 90 1HB ASP 11 2HB ASP 11 -6.345 -7.049 -10.463 91 2HB ASP 11 3HB ASP 11 -6.229 -8.139 -11.834 92 H GLY 12 HN GLY 12 -7.062 -9.348 -8.523 93 1HA GLY 12 2HA GLY 12 -7.093 -11.462 -7.796 94 2HA GLY 12 3HA GLY 12 -6.835 -12.165 -9.411 95 H GLU 13 HN GLU 13 -5.278 -9.875 -7.180 96 HA GLU 13 HA GLU 13 -3.251 -9.664 -6.239 97 1HB GLU 13 2HB GLU 13 -2.906 -12.493 -7.174 98 2HB GLU 13 3HB GLU 13 -1.692 -11.589 -6.274 99 1HG GLU 13 2HG GLU 13 -2.910 -11.442 -4.379 100 2HG GLU 13 3HG GLU 13 -4.465 -11.867 -5.134 101 H VAL 14 HN VAL 14 -1.409 -8.720 -6.671 102 HA VAL 14 HA VAL 14 0.150 -9.445 -9.067 103 HB VAL 14 HB VAL 14 0.586 -7.103 -9.612 104 1HG1 VAL 14 1HG1 VAL 14 -1.241 -8.438 -10.744 105 2HG1 VAL 14 2HG1 VAL 14 -2.392 -7.679 -9.605 106 3HG1 VAL 14 3HG1 VAL 14 -1.501 -6.681 -10.764 107 1HG2 VAL 14 2HG2 VAL 14 -1.610 -6.563 -7.578 108 2HG2 VAL 14 3HG2 VAL 14 0.012 -5.849 -7.618 109 3HG2 VAL 14 1HG2 VAL 14 -1.184 -5.421 -8.842 110 H GLU 15 HN GLU 15 1.584 -10.504 -7.891 111 HA GLU 15 HA GLU 15 3.014 -9.327 -5.639 112 1HB GLU 15 2HB GLU 15 2.485 -11.956 -6.578 113 2HB GLU 15 3HB GLU 15 4.211 -11.725 -6.884 114 1HG GLU 15 2HG GLU 15 4.593 -11.181 -4.566 115 2HG GLU 15 3HG GLU 15 2.858 -11.127 -4.248 116 H PHE 16 HN PHE 16 4.906 -8.273 -5.703 117 HA PHE 16 HA PHE 16 6.600 -8.303 -8.084 118 1HB PHE 16 2HB PHE 16 6.358 -6.192 -8.824 119 2HB PHE 16 3HB PHE 16 4.734 -6.804 -8.700 120 HD1 PHE 16 HD1 PHE 16 3.602 -6.275 -6.249 121 HD2 PHE 16 HD2 PHE 16 6.994 -4.138 -7.878 122 HE1 PHE 16 HE1 PHE 16 3.417 -4.589 -4.528 123 HE2 PHE 16 HE2 PHE 16 6.635 -2.375 -6.278 124 HZ PHE 16 HZ PHE 16 4.793 -2.473 -4.661 125 H LYS 17 HN LYS 17 8.375 -6.443 -7.860 126 HA LYS 17 HA LYS 17 9.437 -6.875 -5.117 127 1HB LYS 17 2HB LYS 17 10.653 -7.239 -7.735 128 2HB LYS 17 3HB LYS 17 11.546 -6.071 -6.776 129 1HG LYS 17 2HG LYS 17 12.477 -8.264 -6.263 130 2HG LYS 17 3HG LYS 17 11.648 -7.586 -4.866 131 1HD LYS 17 2HD LYS 17 10.780 -9.652 -4.706 132 2HD LYS 17 3HD LYS 17 9.578 -8.930 -5.775 133 1HE LYS 17 2HE LYS 17 11.923 -10.705 -6.599 134 2HE LYS 17 3HE LYS 17 10.225 -11.195 -6.503 135 1HZ LYS 17 1HNZ LYS 17 9.722 -9.601 -8.233 136 2HZ LYS 17 2HNZ LYS 17 11.298 -9.148 -8.328 137 3HZ LYS 17 3HNZ LYS 17 10.856 -10.676 -8.749 138 H CYS 18 HN CYS 18 9.604 -5.241 -3.814 139 HA CYS 18 HA CYS 18 9.791 -2.475 -4.977 140 1HB CYS 18 2HB CYS 18 7.526 -2.861 -4.149 141 2HB CYS 18 3HB CYS 18 8.243 -3.254 -2.579 142 HG CYS 18 HSG CYS 18 8.528 -0.500 -4.464 143 H ASP 19 HN ASP 19 11.548 -1.410 -4.413 144 HA ASP 19 HA ASP 19 13.370 -2.430 -2.479 145 1HB ASP 19 2HB ASP 19 13.400 0.277 -3.812 146 2HB ASP 19 3HB ASP 19 14.726 -0.555 -2.997 147 H ASP 20 HN ASP 20 13.865 -1.760 -0.649 148 HA ASP 20 HA ASP 20 12.018 -0.801 1.277 149 1HB ASP 20 2HB ASP 20 14.204 -0.886 2.727 150 2HB ASP 20 3HB ASP 20 13.554 -2.342 2.020 151 H ASP 21 HN ASP 21 14.221 0.745 -0.844 152 HA ASP 21 HA ASP 21 14.041 3.368 0.556 153 1HB ASP 21 2HB ASP 21 15.859 2.279 -1.641 154 2HB ASP 21 3HB ASP 21 15.817 3.962 -1.136 155 H VAL 22 HN VAL 22 12.020 1.779 -1.545 156 HA VAL 22 HA VAL 22 11.419 4.304 -2.980 157 HB VAL 22 HB VAL 22 12.714 2.550 -4.399 158 1HG1 VAL 22 2HG1 VAL 22 11.131 0.642 -3.693 159 2HG1 VAL 22 3HG1 VAL 22 9.956 1.347 -4.799 160 3HG1 VAL 22 1HG1 VAL 22 11.545 0.806 -5.399 161 1HG2 VAL 22 2HG2 VAL 22 11.553 4.565 -5.294 162 2HG2 VAL 22 3HG2 VAL 22 11.459 3.167 -6.388 163 3HG2 VAL 22 1HG2 VAL 22 10.052 3.615 -5.410 164 H TYR 23 HN TYR 23 9.181 4.455 -3.705 165 HA TYR 23 HA TYR 23 7.493 3.516 -1.595 166 1HB TYR 23 2HB TYR 23 6.858 5.001 -4.132 167 2HB TYR 23 3HB TYR 23 5.722 4.747 -2.824 168 HD1 TYR 23 HD2 TYR 23 7.158 5.376 -0.366 169 HD2 TYR 23 HD1 TYR 23 7.281 7.317 -4.221 170 HE1 TYR 23 HE2 TYR 23 7.337 7.575 0.733 171 HE2 TYR 23 HE1 TYR 23 7.619 9.490 -3.106 172 HH TYR 23 HOH TYR 23 7.269 9.882 0.401 173 H VAL 24 HN VAL 24 5.784 2.056 -1.702 174 HA VAL 24 HA VAL 24 5.906 -0.193 -3.410 175 HB VAL 24 HB VAL 24 3.360 0.848 -2.091 176 1HG1 VAL 24 2HG1 VAL 24 3.162 -1.124 -3.699 177 2HG1 VAL 24 3HG1 VAL 24 4.373 -1.953 -2.661 178 3HG1 VAL 24 1HG1 VAL 24 2.788 -1.543 -2.016 179 1HG2 VAL 24 1HG2 VAL 24 5.651 -0.840 -0.988 180 2HG2 VAL 24 2HG2 VAL 24 5.010 0.669 -0.313 181 3HG2 VAL 24 3HG2 VAL 24 4.022 -0.780 -0.267 182 H LEU 25 HN LEU 25 3.661 2.604 -3.726 183 HA LEU 25 HA LEU 25 2.415 1.756 -6.098 184 1HB LEU 25 2HB LEU 25 1.251 3.431 -5.177 185 2HB LEU 25 3HB LEU 25 2.715 4.295 -4.615 186 HG LEU 25 HG LEU 25 3.022 5.069 -7.048 187 1HD1 LEU 25 1HD1 LEU 25 0.112 4.128 -7.179 188 2HD1 LEU 25 2HD1 LEU 25 0.975 5.069 -8.410 189 3HD1 LEU 25 3HD1 LEU 25 1.458 3.399 -8.071 190 1HD2 LEU 25 2HD2 LEU 25 0.609 5.955 -5.442 191 2HD2 LEU 25 3HD2 LEU 25 2.282 6.506 -5.227 192 3HD2 LEU 25 1HD2 LEU 25 1.429 6.879 -6.727 193 H ASP 26 HN ASP 26 5.277 4.002 -5.860 194 HA ASP 26 HA ASP 26 5.734 4.428 -8.472 195 1HB ASP 26 2HB ASP 26 7.740 3.883 -6.231 196 2HB ASP 26 3HB ASP 26 8.182 4.501 -7.824 197 H GLN 27 HN GLN 27 7.372 1.735 -6.723 198 HA GLN 27 HA GLN 27 8.374 0.542 -9.112 199 1HB GLN 27 2HB GLN 27 8.006 -0.389 -6.299 200 2HB GLN 27 3HB GLN 27 8.235 -1.631 -7.542 201 1HG GLN 27 2HG GLN 27 10.137 0.702 -7.283 202 2HG GLN 27 3HG GLN 27 10.372 -0.843 -6.443 203 1HE2 GLN 27 2HNE GLN 27 10.878 -2.709 -9.542 204 2HE2 GLN 27 1HNE GLN 27 10.027 -2.890 -8.022 205 H ALA 28 HN ALA 28 5.282 -0.002 -7.352 206 HA ALA 28 HA ALA 28 4.417 -2.221 -8.833 207 1HB ALA 28 2HB ALA 28 3.341 -1.184 -6.778 208 2HB ALA 28 3HB ALA 28 2.630 0.034 -7.877 209 3HB ALA 28 1HB ALA 28 2.221 -1.675 -8.030 210 H GLU 29 HN GLU 29 3.604 1.239 -9.528 211 HA GLU 29 HA GLU 29 2.377 0.592 -11.999 212 1HB GLU 29 2HB GLU 29 3.468 3.188 -10.865 213 2HB GLU 29 3HB GLU 29 2.988 3.080 -12.564 214 1HG GLU 29 2HG GLU 29 0.748 2.180 -11.853 215 2HG GLU 29 3HG GLU 29 1.184 2.554 -10.183 216 H GLU 30 HN GLU 30 5.824 1.322 -11.177 217 HA GLU 30 HA GLU 30 6.833 1.220 -13.824 218 1HB GLU 30 2HB GLU 30 8.188 0.305 -11.302 219 2HB GLU 30 3HB GLU 30 8.970 0.523 -12.853 220 1HG GLU 30 2HG GLU 30 7.442 2.904 -11.826 221 2HG GLU 30 3HG GLU 30 8.920 2.454 -10.972 222 H GLU 31 HN GLU 31 5.905 -1.514 -11.750 223 HA GLU 31 HA GLU 31 6.841 -3.424 -13.766 224 1HB GLU 31 2HB GLU 31 4.893 -3.895 -11.491 225 2HB GLU 31 3HB GLU 31 5.829 -5.096 -12.386 226 1HG GLU 31 2HG GLU 31 7.624 -3.043 -11.415 227 2HG GLU 31 3HG GLU 31 6.549 -3.446 -10.116 228 H GLY 32 HN GLY 32 3.999 -1.594 -13.122 229 1HA GLY 32 2HA GLY 32 2.553 -1.048 -15.030 230 2HA GLY 32 3HA GLY 32 2.552 -2.752 -15.500 231 H ILE 33 HN ILE 33 2.473 -2.252 -12.069 232 HA ILE 33 HA ILE 33 -0.184 -3.397 -11.903 233 HB ILE 33 HB ILE 33 1.758 -2.241 -9.936 234 1HG1 ILE 33 2HG1 ILE 33 1.011 -5.088 -10.594 235 2HG1 ILE 33 3HG1 ILE 33 2.501 -4.230 -11.041 236 1HG2 ILE 33 2HG2 ILE 33 -0.995 -3.359 -9.469 237 2HG2 ILE 33 3HG2 ILE 33 0.248 -3.448 -8.201 238 3HG2 ILE 33 1HG2 ILE 33 -0.246 -1.887 -8.826 239 1HD1 ILE 33 HD3 ILE 33 3.198 -4.006 -8.746 240 2HD1 ILE 33 HD1 ILE 33 1.816 -4.939 -8.186 241 3HD1 ILE 33 HD2 ILE 33 2.988 -5.688 -9.257 242 H ASP 34 HN ASP 34 -2.055 -2.367 -11.935 243 HA ASP 34 HA ASP 34 -2.315 0.537 -11.342 244 1HB ASP 34 2HB ASP 34 -3.409 -0.441 -13.344 245 2HB ASP 34 3HB ASP 34 -4.337 -1.541 -12.305 246 H ILE 35 HN ILE 35 -2.643 1.128 -9.264 247 HA ILE 35 HA ILE 35 -4.601 -0.376 -7.719 248 HB ILE 35 HB ILE 35 -3.162 0.042 -5.662 249 1HG1 ILE 35 2HG1 ILE 35 -0.920 0.429 -7.692 250 2HG1 ILE 35 3HG1 ILE 35 -1.564 1.614 -6.541 251 1HG2 ILE 35 2HG2 ILE 35 -3.584 -2.171 -6.655 252 2HG2 ILE 35 3HG2 ILE 35 -2.128 -1.999 -7.645 253 3HG2 ILE 35 1HG2 ILE 35 -2.008 -2.060 -5.887 254 1HD1 ILE 35 HD1 ILE 35 -0.925 -0.094 -4.708 255 2HD1 ILE 35 HD2 ILE 35 0.037 -0.870 -5.985 256 3HD1 ILE 35 HD3 ILE 35 0.395 0.787 -5.492 257 HA PRO 36 HA PRO 36 -6.164 3.564 -7.413 258 1HB PRO 36 2HB PRO 36 -7.126 3.768 -4.740 259 2HB PRO 36 3HB PRO 36 -7.986 3.156 -6.177 260 1HG PRO 36 2HG PRO 36 -6.796 1.636 -3.951 261 2HG PRO 36 3HG PRO 36 -7.982 1.116 -5.190 262 1HD PRO 36 2HD PRO 36 -5.232 0.456 -5.081 263 2HD PRO 36 3HD PRO 36 -6.354 0.190 -6.458 264 H TYR 37 HN TYR 37 -5.094 5.487 -7.342 265 HA TYR 37 HA TYR 37 -3.615 6.343 -4.957 266 1HB TYR 37 2HB TYR 37 -1.561 6.603 -5.952 267 2HB TYR 37 3HB TYR 37 -2.040 4.954 -6.312 268 HD1 TYR 37 HD1 TYR 37 -3.477 4.884 -8.762 269 HD2 TYR 37 HD2 TYR 37 -0.495 7.770 -7.629 270 HE1 TYR 37 HE1 TYR 37 -2.931 5.242 -11.134 271 HE2 TYR 37 HE2 TYR 37 0.040 8.143 -10.027 272 HH TYR 37 HOH TYR 37 -0.693 5.989 -12.316 273 H SER 38 HN SER 38 -5.751 7.560 -5.235 274 HA SER 38 HA SER 38 -6.152 9.360 -7.375 275 1HB SER 38 2HB SER 38 -7.099 9.615 -4.493 276 2HB SER 38 3HB SER 38 -7.818 10.377 -5.929 277 HG SER 38 HOG SER 38 -8.085 8.171 -6.744 278 H CYS 39 HN CYS 39 -3.888 9.553 -4.789 279 HA CYS 39 HA CYS 39 -3.028 12.200 -5.639 280 1HB CYS 39 2HB CYS 39 -2.591 13.051 -3.673 281 2HB CYS 39 3HB CYS 39 -4.122 12.272 -3.315 282 H ARG 40 HN ARG 40 -0.675 12.412 -4.924 283 HA ARG 40 HA ARG 40 0.902 9.997 -4.856 284 1HB ARG 40 2HB ARG 40 2.077 10.325 -6.969 285 2HB ARG 40 3HB ARG 40 0.421 9.777 -7.146 286 1HG ARG 40 2HG ARG 40 0.648 12.729 -7.305 287 2HG ARG 40 3HG ARG 40 1.672 11.889 -8.462 288 1HD ARG 40 2HD ARG 40 -0.260 12.104 -9.721 289 2HD ARG 40 3HD ARG 40 -0.413 10.481 -9.097 290 HE ARG 40 HNE ARG 40 -2.297 11.085 -7.938 291 1HH1 ARG 40 2HN2 ARG 40 -0.449 13.977 -8.651 292 2HH1 ARG 40 1HN2 ARG 40 -1.752 15.107 -8.415 293 1HH2 ARG 40 2HN1 ARG 40 -4.108 12.580 -7.568 294 2HH2 ARG 40 1HN1 ARG 40 -3.878 14.275 -7.804 295 H ALA 41 HN ALA 41 1.191 11.323 -2.970 296 HA ALA 41 HA ALA 41 3.540 12.889 -2.944 297 1HB ALA 41 2HB ALA 41 0.962 14.508 -2.637 298 2HB ALA 41 3HB ALA 41 2.584 15.070 -2.176 299 3HB ALA 41 1HB ALA 41 2.217 14.727 -3.874 300 H GLY 42 HN GLY 42 0.390 12.904 -1.193 301 1HA GLY 42 2HA GLY 42 0.422 11.269 0.815 302 2HA GLY 42 3HA GLY 42 1.818 12.215 1.351 303 H SER 43 HN SER 43 -1.476 12.944 0.012 304 HA SER 43 HA SER 43 -2.403 14.195 2.426 305 1HB SER 43 2HB SER 43 -1.357 16.000 0.209 306 2HB SER 43 3HB SER 43 -2.659 16.509 1.290 307 HG SER 43 HOG SER 43 -0.345 15.489 2.474 308 H CYS 44 HN CYS 44 -4.100 12.674 1.899 309 HA CYS 44 HA CYS 44 -6.148 13.939 0.299 310 1HB CYS 44 2HB CYS 44 -6.659 12.194 -1.122 311 2HB CYS 44 3HB CYS 44 -4.913 12.322 -1.240 312 H SER 45 HN SER 45 -8.023 11.928 0.508 313 HA SER 45 HA SER 45 -8.014 10.698 3.119 314 1HB SER 45 2HB SER 45 -10.057 11.756 3.971 315 2HB SER 45 3HB SER 45 -8.746 12.941 3.815 316 HG SER 45 HOG SER 45 -10.804 12.473 1.912 317 H SER 46 HN SER 46 -7.865 9.264 1.139 318 HA SER 46 HA SER 46 -10.298 7.847 0.642 319 1HB SER 46 2HB SER 46 -8.887 9.310 -1.657 320 2HB SER 46 3HB SER 46 -10.142 8.077 -1.862 321 HG SER 46 HOG SER 46 -11.016 9.989 -0.179 322 H CYS 47 HN CYS 47 -9.412 6.040 -1.101 323 HA CYS 47 HA CYS 47 -7.922 4.518 -1.773 324 1HB CYS 47 2HB CYS 47 -5.780 4.973 -2.188 325 2HB CYS 47 3HB CYS 47 -6.369 6.613 -1.945 326 H ALA 48 HN ALA 48 -6.024 3.141 -0.795 327 HA ALA 48 HA ALA 48 -4.949 2.544 1.242 328 1HB ALA 48 3HB ALA 48 -7.743 2.139 2.365 329 2HB ALA 48 1HB ALA 48 -6.260 1.602 3.163 330 3HB ALA 48 2HB ALA 48 -6.491 3.319 2.873 331 H GLY 49 HN GLY 49 -4.713 0.362 2.195 332 1HA GLY 49 2HA GLY 49 -6.144 -1.777 0.880 333 2HA GLY 49 3HA GLY 49 -4.381 -1.845 0.730 334 H LYS 50 HN LYS 50 -5.836 -3.856 2.047 335 HA LYS 50 HA LYS 50 -5.598 -3.461 4.919 336 1HB LYS 50 2HB LYS 50 -7.506 -4.503 3.520 337 2HB LYS 50 3HB LYS 50 -6.528 -5.968 3.477 338 1HG LYS 50 2HG LYS 50 -6.711 -6.331 5.801 339 2HG LYS 50 3HG LYS 50 -6.992 -4.614 6.123 340 1HD LYS 50 2HD LYS 50 -9.159 -4.877 4.749 341 2HD LYS 50 3HD LYS 50 -8.983 -6.612 5.063 342 1HE LYS 50 2HE LYS 50 -8.950 -6.202 7.501 343 2HE LYS 50 3HE LYS 50 -8.869 -4.474 7.275 344 1HZ LYS 50 1HNZ LYS 50 -11.208 -5.974 6.321 345 2HZ LYS 50 2HNZ LYS 50 -11.109 -5.228 7.792 346 3HZ LYS 50 3HNZ LYS 50 -11.021 -4.342 6.423 347 H VAL 51 HN VAL 51 -3.698 -3.958 5.880 348 HA VAL 51 HA VAL 51 -1.535 -5.433 4.657 349 HB VAL 51 HB VAL 51 -1.963 -4.689 7.606 350 1HG1 VAL 51 3HG1 VAL 51 -0.086 -6.275 7.212 351 2HG1 VAL 51 1HG1 VAL 51 0.625 -5.121 6.052 352 3HG1 VAL 51 2HG1 VAL 51 0.467 -4.684 7.764 353 1HG2 VAL 51 1HG2 VAL 51 -0.652 -3.031 5.430 354 2HG2 VAL 51 2HG2 VAL 51 -2.151 -2.646 6.316 355 3HG2 VAL 51 3HG2 VAL 51 -0.608 -2.622 7.159 356 H VAL 52 HN VAL 52 -1.668 -7.594 4.363 357 HA VAL 52 HA VAL 52 -3.366 -9.304 6.069 358 HB VAL 52 HB VAL 52 -1.645 -9.836 3.629 359 1HG1 VAL 52 3HG1 VAL 52 -3.530 -11.711 5.117 360 2HG1 VAL 52 1HG1 VAL 52 -2.797 -12.043 3.533 361 3HG1 VAL 52 2HG1 VAL 52 -1.768 -11.898 4.960 362 1HG2 VAL 52 1HG2 VAL 52 -4.657 -9.594 3.979 363 2HG2 VAL 52 2HG2 VAL 52 -3.582 -8.517 3.056 364 3HG2 VAL 52 3HG2 VAL 52 -3.854 -10.178 2.510 365 H SER 53 HN SER 53 0.119 -8.820 5.191 366 HA SER 53 HA SER 53 0.940 -9.672 7.820 367 1HB SER 53 2HB SER 53 0.488 -11.889 6.646 368 2HB SER 53 3HB SER 53 1.792 -11.483 5.518 369 HG SER 53 HOG SER 53 2.503 -12.729 7.356 370 H GLY 54 HN GLY 54 3.417 -9.923 7.772 371 1HA GLY 54 2HA GLY 54 5.440 -8.805 7.548 372 2HA GLY 54 3HA GLY 54 4.969 -8.290 5.944 373 H SER 55 HN SER 55 5.992 -6.154 6.575 374 HA SER 55 HA SER 55 3.964 -4.342 7.574 375 1HB SER 55 2HB SER 55 6.681 -4.461 8.952 376 2HB SER 55 3HB SER 55 5.344 -3.370 9.304 377 HG SER 55 HOG SER 55 4.246 -5.681 9.550 378 H ILE 56 HN ILE 56 4.576 -2.122 7.142 379 HA ILE 56 HA ILE 56 6.914 -1.606 5.471 380 HB ILE 56 HB ILE 56 5.587 -0.361 3.881 381 1HG1 ILE 56 2HG1 ILE 56 3.089 -1.344 5.278 382 2HG1 ILE 56 3HG1 ILE 56 3.663 0.314 5.252 383 1HG2 ILE 56 3HG2 ILE 56 5.836 -3.058 3.786 384 2HG2 ILE 56 1HG2 ILE 56 4.091 -2.922 3.893 385 3HG2 ILE 56 2HG2 ILE 56 4.944 -2.144 2.550 386 1HD1 ILE 56 HD1 ILE 56 3.667 -0.157 2.562 387 2HD1 ILE 56 HD2 ILE 56 2.396 -1.286 3.051 388 3HD1 ILE 56 HD3 ILE 56 2.248 0.447 3.408 389 H ASP 57 HN ASP 57 7.125 0.845 5.306 390 HA ASP 57 HA ASP 57 6.190 2.167 7.827 391 1HB ASP 57 2HB ASP 57 8.626 2.032 7.782 392 2HB ASP 57 3HB ASP 57 8.674 2.607 6.104 393 H GLN 58 HN GLN 58 4.359 3.243 7.253 394 HA GLN 58 HA GLN 58 4.401 4.847 4.733 395 1HB GLN 58 2HB GLN 58 1.954 4.972 5.233 396 2HB GLN 58 3HB GLN 58 2.548 3.384 4.714 397 1HG GLN 58 2HG GLN 58 2.401 2.543 6.935 398 2HG GLN 58 3HG GLN 58 2.242 4.172 7.610 399 1HE2 GLN 58 2HNE GLN 58 -1.063 2.516 7.696 400 2HE2 GLN 58 1HNE GLN 58 0.545 2.180 8.316 401 H SER 59 HN SER 59 5.912 5.596 7.277 402 HA SER 59 HA SER 59 4.344 7.673 8.521 403 1HB SER 59 2HB SER 59 7.354 7.237 8.538 404 2HB SER 59 3HB SER 59 6.409 8.220 9.676 405 HG SER 59 HOG SER 59 6.455 5.430 9.287 406 H ASP 60 HN ASP 60 3.888 8.327 6.128 407 HA ASP 60 HA ASP 60 5.479 10.768 5.449 408 1HB ASP 60 2HB ASP 60 6.118 8.647 4.130 409 2HB ASP 60 3HB ASP 60 4.531 8.756 3.362 410 H GLN 61 HN GLN 61 2.369 8.978 5.163 411 HA GLN 61 HA GLN 61 1.069 11.089 3.691 412 1HB GLN 61 2HB GLN 61 -0.568 9.570 3.362 413 2HB GLN 61 3HB GLN 61 0.763 8.477 3.747 414 1HG GLN 61 2HG GLN 61 -1.590 9.216 5.516 415 2HG GLN 61 3HG GLN 61 -1.257 7.682 4.748 416 1HE2 GLN 61 2HNE GLN 61 -0.224 6.869 8.071 417 2HE2 GLN 61 1HNE GLN 61 -1.644 6.870 7.045 418 H SER 62 HN SER 62 -1.288 11.580 4.622 419 HA SER 62 HA SER 62 -1.361 11.896 7.553 420 1HB SER 62 2HB SER 62 -2.016 14.260 7.390 421 2HB SER 62 3HB SER 62 -0.367 14.015 6.777 422 HG SER 62 HOG SER 62 -2.719 14.124 5.188 423 H PHE 63 HN PHE 63 -2.824 10.059 7.083 424 HA PHE 63 HA PHE 63 -5.526 11.012 6.801 425 1HB PHE 63 2HB PHE 63 -5.235 10.776 4.465 426 2HB PHE 63 3HB PHE 63 -4.393 9.236 4.636 427 HD1 PHE 63 HD2 PHE 63 -7.616 10.049 6.441 428 HD2 PHE 63 HD1 PHE 63 -5.745 8.042 3.077 429 HE1 PHE 63 HE2 PHE 63 -9.634 8.708 6.100 430 HE2 PHE 63 HE1 PHE 63 -7.710 6.627 2.861 431 HZ PHE 63 HZ PHE 63 -9.733 7.038 4.257 432 H LEU 64 HN LEU 64 -4.120 7.662 6.329 433 HA LEU 64 HA LEU 64 -6.204 6.608 7.713 434 1HB LEU 64 2HB LEU 64 -3.405 5.391 7.492 435 2HB LEU 64 3HB LEU 64 -4.733 4.592 8.260 436 HG LEU 64 HG LEU 64 -6.093 4.944 6.080 437 1HD1 LEU 64 3HD1 LEU 64 -3.232 5.243 5.069 438 2HD1 LEU 64 1HD1 LEU 64 -4.629 4.844 4.042 439 3HD1 LEU 64 2HD1 LEU 64 -4.556 6.412 4.846 440 1HD2 LEU 64 2HD2 LEU 64 -3.750 3.028 6.345 441 2HD2 LEU 64 3HD2 LEU 64 -5.384 2.812 7.007 442 3HD2 LEU 64 1HD2 LEU 64 -5.137 2.797 5.250 443 H ASP 65 HN ASP 65 -6.765 6.099 9.753 444 HA ASP 65 HA ASP 65 -5.295 7.521 11.837 445 1HB ASP 65 2HB ASP 65 -7.790 5.815 12.115 446 2HB ASP 65 3HB ASP 65 -7.208 7.041 13.250 447 H ASP 66 HN ASP 66 -4.924 6.481 13.994 448 HA ASP 66 HA ASP 66 -3.118 4.354 13.923 449 1HB ASP 66 2HB ASP 66 -4.939 5.261 16.212 450 2HB ASP 66 3HB ASP 66 -3.477 4.279 16.372 451 H GLU 67 HN GLU 67 -6.591 4.477 14.582 452 HA GLU 67 HA GLU 67 -7.122 1.856 15.274 453 1HB GLU 67 2HB GLU 67 -9.109 3.242 13.449 454 2HB GLU 67 3HB GLU 67 -9.324 2.398 14.976 455 1HG GLU 67 2HG GLU 67 -8.154 4.429 16.038 456 2HG GLU 67 3HG GLU 67 -8.444 5.232 14.479 457 H GLN 68 HN GLN 68 -7.507 3.262 11.966 458 HA GLN 68 HA GLN 68 -7.926 0.910 10.606 459 1HB GLN 68 2HB GLN 68 -6.543 3.444 9.703 460 2HB GLN 68 3HB GLN 68 -7.146 2.188 8.616 461 1HG GLN 68 2HG GLN 68 -9.402 2.442 9.318 462 2HG GLN 68 3HG GLN 68 -8.961 3.549 10.622 463 1HE2 GLN 68 2HNE GLN 68 -10.176 5.486 7.712 464 2HE2 GLN 68 1HNE GLN 68 -10.857 4.136 8.596 465 H MET 69 HN MET 69 -4.703 2.539 11.181 466 HA MET 69 HA MET 69 -3.151 0.634 9.834 467 1HB MET 69 2HB MET 69 -2.463 2.238 12.322 468 2HB MET 69 3HB MET 69 -1.332 1.350 11.295 469 1HG MET 69 2HG MET 69 -2.133 2.812 9.342 470 2HG MET 69 3HG MET 69 -3.017 3.730 10.506 471 1HE MET 69 HE3 MET 69 -1.675 5.694 9.285 472 2HE MET 69 HE1 MET 69 -2.045 6.002 11.001 473 3HE MET 69 HE2 MET 69 -0.451 6.441 10.354 474 H ASP 70 HN ASP 70 -3.924 0.670 13.336 475 HA ASP 70 HA ASP 70 -2.651 -1.739 14.068 476 1HB ASP 70 2HB ASP 70 -3.530 0.041 15.627 477 2HB ASP 70 3HB ASP 70 -5.171 -0.460 15.231 478 H ALA 71 HN ALA 71 -5.890 -1.024 12.964 479 HA ALA 71 HA ALA 71 -7.125 -3.566 13.284 480 1HB ALA 71 1HB ALA 71 -7.702 -1.253 11.405 481 2HB ALA 71 2HB ALA 71 -8.817 -2.607 11.695 482 3HB ALA 71 3HB ALA 71 -8.396 -1.495 13.018 483 H GLY 72 HN GLY 72 -4.875 -2.401 10.840 484 1HA GLY 72 2HA GLY 72 -3.669 -4.169 9.732 485 2HA GLY 72 3HA GLY 72 -5.169 -5.005 9.398 486 H TYR 73 HN TYR 73 -4.805 -1.426 9.059 487 HA TYR 73 HA TYR 73 -4.969 -1.796 6.096 488 1HB TYR 73 2HB TYR 73 -6.093 0.377 7.825 489 2HB TYR 73 3HB TYR 73 -6.107 0.337 6.070 490 HD1 TYR 73 HD2 TYR 73 -7.152 -1.632 4.853 491 HD2 TYR 73 HD1 TYR 73 -7.881 -0.776 9.010 492 HE1 TYR 73 HE2 TYR 73 -9.404 -2.539 4.639 493 HE2 TYR 73 HE1 TYR 73 -10.159 -1.652 8.795 494 HH TYR 73 HOH TYR 73 -11.911 -1.893 6.602 495 H VAL 74 HN VAL 74 -4.109 0.005 4.784 496 HA VAL 74 HA VAL 74 -1.993 1.681 5.903 497 HB VAL 74 HB VAL 74 -1.290 -0.847 5.509 498 1HG1 VAL 74 1HG1 VAL 74 -2.076 -0.999 3.172 499 2HG1 VAL 74 2HG1 VAL 74 -0.886 0.250 2.736 500 3HG1 VAL 74 3HG1 VAL 74 -0.334 -1.313 3.353 501 1HG2 VAL 74 2HG2 VAL 74 0.463 1.428 4.693 502 2HG2 VAL 74 3HG2 VAL 74 0.228 0.685 6.312 503 3HG2 VAL 74 1HG2 VAL 74 0.960 -0.258 5.046 504 H LEU 75 HN LEU 75 -1.246 3.237 4.135 505 HA LEU 75 HA LEU 75 -3.329 3.640 2.179 506 1HB LEU 75 2HB LEU 75 -2.324 5.495 1.394 507 2HB LEU 75 3HB LEU 75 -2.079 5.496 3.133 508 HG LEU 75 HG LEU 75 0.025 4.836 1.035 509 1HD1 LEU 75 2HD1 LEU 75 -0.655 7.300 2.594 510 2HD1 LEU 75 3HD1 LEU 75 0.988 7.046 1.923 511 3HD1 LEU 75 1HD1 LEU 75 -0.415 7.134 0.880 512 1HD2 LEU 75 1HD2 LEU 75 0.273 5.371 3.984 513 2HD2 LEU 75 2HD2 LEU 75 0.529 3.756 3.254 514 3HD2 LEU 75 3HD2 LEU 75 1.635 5.086 2.877 515 H THR 76 HN THR 76 0.043 2.469 1.800 516 HA THR 76 HA THR 76 1.146 1.503 0.101 517 HB THR 76 HB THR 76 -1.554 0.232 -0.424 518 HG1 THR 76 HG1 THR 76 -0.361 -1.480 0.532 519 1HG2 THR 76 3HG2 THR 76 1.058 -0.118 -1.900 520 2HG2 THR 76 1HG2 THR 76 -0.016 -1.510 -1.629 521 3HG2 THR 76 2HG2 THR 76 -0.601 -0.115 -2.527 522 H CYS 77 HN CYS 77 1.079 3.873 -0.166 523 HA CYS 77 HA CYS 77 1.009 4.432 -3.049 524 1HB CYS 77 2HB CYS 77 0.066 6.370 -0.931 525 2HB CYS 77 3HB CYS 77 0.296 6.745 -2.635 526 H HIS 78 HN HIS 78 1.833 6.659 -0.471 527 HA HIS 78 HA HIS 78 4.639 6.623 -1.161 528 1HB HIS 78 2HB HIS 78 3.506 8.237 1.125 529 2HB HIS 78 3HB HIS 78 4.760 8.666 -0.036 530 HD1 HIS 78 HND HIS 78 1.117 8.938 0.681 531 HD2 HIS 78 HD HIS 78 3.595 8.948 -2.715 532 HE1 HIS 78 HE HIS 78 -0.331 9.637 -1.277 533 H ALA 79 HN ALA 79 4.252 4.133 -0.229 534 HA ALA 79 HA ALA 79 5.168 4.126 2.655 535 1HB ALA 79 3HB ALA 79 2.878 3.184 2.318 536 2HB ALA 79 1HB ALA 79 3.586 1.961 1.244 537 3HB ALA 79 2HB ALA 79 4.085 2.054 2.957 538 H TYR 80 HN TYR 80 6.852 2.826 3.183 539 HA TYR 80 HA TYR 80 8.512 1.785 0.909 540 1HB TYR 80 2HB TYR 80 9.191 2.675 3.743 541 2HB TYR 80 3HB TYR 80 10.300 1.931 2.602 542 HD1 TYR 80 HD1 TYR 80 10.799 3.089 0.415 543 HD2 TYR 80 HD2 TYR 80 8.689 5.040 3.620 544 HE1 TYR 80 HE1 TYR 80 11.181 5.282 -0.670 545 HE2 TYR 80 HE2 TYR 80 9.174 7.247 2.594 546 HH TYR 80 HOH TYR 80 10.964 7.556 -0.490 547 HA PRO 81 HA PRO 81 7.431 -2.137 2.782 548 1HB PRO 81 2HB PRO 81 8.957 -3.723 1.016 549 2HB PRO 81 3HB PRO 81 7.252 -3.239 0.825 550 1HG PRO 81 2HG PRO 81 9.635 -2.195 -0.616 551 2HG PRO 81 3HG PRO 81 7.874 -2.022 -0.949 552 1HD PRO 81 2HD PRO 81 9.569 -0.048 0.085 553 2HD PRO 81 3HD PRO 81 7.807 -0.002 -0.162 554 H THR 82 HN THR 82 8.371 -2.774 4.698 555 HA THR 82 HA THR 82 11.320 -2.540 4.923 556 HB THR 82 HB THR 82 10.824 -2.862 7.339 557 HG1 THR 82 HG1 THR 82 8.429 -3.558 6.592 558 1HG2 THR 82 2HG2 THR 82 11.223 -0.661 6.282 559 2HG2 THR 82 3HG2 THR 82 9.492 -0.512 5.925 560 3HG2 THR 82 1HG2 THR 82 10.043 -0.546 7.610 561 H SER 83 HN SER 83 9.015 -4.985 4.253 562 HA SER 83 HA SER 83 11.053 -6.964 4.102 563 1HB SER 83 2HB SER 83 8.840 -7.329 6.175 564 2HB SER 83 3HB SER 83 9.845 -8.656 5.565 565 HG SER 83 HOG SER 83 11.331 -6.532 6.443 566 H ASP 84 HN ASP 84 9.625 -9.170 3.536 567 HA ASP 84 HA ASP 84 8.004 -8.672 1.217 568 1HB ASP 84 2HB ASP 84 7.582 -11.093 1.454 569 2HB ASP 84 3HB ASP 84 9.289 -10.649 1.315 570 H VAL 85 HN VAL 85 6.310 -7.386 1.766 571 HA VAL 85 HA VAL 85 4.432 -8.216 3.913 572 HB VAL 85 HB VAL 85 5.198 -5.925 4.059 573 1HG1 VAL 85 3HG1 VAL 85 4.689 -5.896 1.138 574 2HG1 VAL 85 1HG1 VAL 85 4.335 -4.402 1.998 575 3HG1 VAL 85 2HG1 VAL 85 5.954 -5.116 2.092 576 1HG2 VAL 85 3HG2 VAL 85 2.293 -6.090 3.158 577 2HG2 VAL 85 1HG2 VAL 85 2.973 -6.113 4.808 578 3HG2 VAL 85 2HG2 VAL 85 3.011 -4.666 3.857 579 H VAL 86 HN VAL 86 2.254 -8.433 3.575 580 HA VAL 86 HA VAL 86 1.363 -8.931 0.767 581 HB VAL 86 HB VAL 86 0.593 -10.470 3.289 582 1HG1 VAL 86 1HG1 VAL 86 -1.204 -10.227 1.457 583 2HG1 VAL 86 2HG1 VAL 86 -0.086 -11.096 0.402 584 3HG1 VAL 86 3HG1 VAL 86 -0.723 -11.890 1.846 585 1HG2 VAL 86 3HG2 VAL 86 2.328 -11.298 0.916 586 2HG2 VAL 86 1HG2 VAL 86 2.851 -11.146 2.605 587 3HG2 VAL 86 2HG2 VAL 86 1.705 -12.414 2.149 588 H ILE 87 HN ILE 87 -0.258 -7.487 0.288 589 HA ILE 87 HA ILE 87 -2.015 -6.553 2.444 590 HB ILE 87 HB ILE 87 -0.306 -4.979 2.514 591 1HG1 ILE 87 2HG1 ILE 87 -2.558 -3.907 2.361 592 2HG1 ILE 87 3HG1 ILE 87 -1.125 -2.931 2.050 593 1HG2 ILE 87 2HG2 ILE 87 -0.080 -5.150 -0.401 594 2HG2 ILE 87 3HG2 ILE 87 0.496 -3.709 0.464 595 3HG2 ILE 87 1HG2 ILE 87 1.175 -5.309 0.840 596 1HD1 ILE 87 HD1 ILE 87 -1.662 -3.759 -0.488 597 2HD1 ILE 87 HD2 ILE 87 -3.261 -3.705 0.216 598 3HD1 ILE 87 HD3 ILE 87 -2.248 -2.250 0.225 599 H GLU 88 HN GLU 88 -4.104 -5.979 1.703 600 HA GLU 88 HA GLU 88 -4.728 -6.699 -1.137 601 1HB GLU 88 2HB GLU 88 -6.598 -6.090 1.094 602 2HB GLU 88 3HB GLU 88 -7.020 -6.844 -0.457 603 1HG GLU 88 2HG GLU 88 -5.977 -8.913 0.361 604 2HG GLU 88 3HG GLU 88 -5.449 -8.061 1.825 605 H THR 89 HN THR 89 -4.872 -5.021 -2.529 606 HA THR 89 HA THR 89 -5.128 -2.272 -1.455 607 HB THR 89 HB THR 89 -4.830 -1.653 -3.875 608 HG1 THR 89 HG1 THR 89 -5.489 -4.043 -4.402 609 1HG2 THR 89 1HG2 THR 89 -3.015 -1.717 -2.190 610 2HG2 THR 89 2HG2 THR 89 -2.726 -3.427 -2.590 611 3HG2 THR 89 3HG2 THR 89 -2.448 -2.162 -3.794 612 H HIS 90 HN HIS 90 -6.656 -0.761 -2.746 613 HA HIS 90 HA HIS 90 -8.689 -0.085 -3.450 614 1HB HIS 90 2HB HIS 90 -9.465 -2.979 -3.992 615 2HB HIS 90 3HB HIS 90 -10.279 -1.526 -4.531 616 HD1 HIS 90 HND HIS 90 -6.461 -1.999 -5.018 617 HD2 HIS 90 HD HIS 90 -10.113 -2.058 -7.086 618 HE1 HIS 90 HE HIS 90 -5.885 -2.387 -7.441 619 H LYS 91 HN LYS 91 -8.301 -0.035 -0.839 620 HA LYS 91 HA LYS 91 -10.817 -1.106 0.399 621 1HB LYS 91 2HB LYS 91 -8.068 -0.694 1.629 622 2HB LYS 91 3HB LYS 91 -9.449 -1.425 2.426 623 1HG LYS 91 2HG LYS 91 -8.097 -2.590 -0.063 624 2HG LYS 91 3HG LYS 91 -7.869 -3.128 1.601 625 1HD LYS 91 2HD LYS 91 -10.033 -3.753 1.887 626 2HD LYS 91 3HD LYS 91 -10.572 -3.156 0.308 627 1HE LYS 91 2HE LYS 91 -9.404 -4.816 -0.928 628 2HE LYS 91 3HE LYS 91 -8.428 -5.213 0.492 629 1HZ LYS 91 3HNZ LYS 91 -10.991 -5.633 1.295 630 2HZ LYS 91 1HNZ LYS 91 -10.964 -6.244 -0.190 631 3HZ LYS 91 2HNZ LYS 91 -9.839 -6.807 0.904 632 H GLU 92 HN GLU 92 -10.322 1.510 -0.886 633 HA GLU 92 HA GLU 92 -10.317 3.603 0.987 634 1HB GLU 92 2HB GLU 92 -10.179 3.898 -1.405 635 2HB GLU 92 3HB GLU 92 -11.790 3.251 -1.667 636 1HG GLU 92 2HG GLU 92 -11.513 5.588 0.225 637 2HG GLU 92 3HG GLU 92 -11.286 5.899 -1.525 638 H GLU 93 HN GLU 93 -13.365 2.294 -0.453 639 HA GLU 93 HA GLU 93 -14.748 2.974 1.962 640 1HB GLU 93 2HB GLU 93 -15.545 1.723 -0.685 641 2HB GLU 93 3HB GLU 93 -16.664 1.571 0.665 642 1HG GLU 93 2HG GLU 93 -16.708 4.005 0.978 643 2HG GLU 93 3HG GLU 93 -15.700 4.198 -0.461 644 H GLU 94 HN GLU 94 -12.715 1.246 2.657 645 HA GLU 94 HA GLU 94 -14.312 -0.761 4.122 646 1HB GLU 94 2HB GLU 94 -11.572 -1.333 2.925 647 2HB GLU 94 3HB GLU 94 -12.278 -2.190 4.289 648 1HG GLU 94 2HG GLU 94 -14.275 -2.699 2.709 649 2HG GLU 94 3HG GLU 94 -13.147 -2.266 1.420 650 H ILE 95 HN ILE 95 -11.473 1.507 4.015 651 HA ILE 95 HA ILE 95 -11.064 1.164 6.849 652 HB ILE 95 HB ILE 95 -9.418 2.881 6.617 653 1HG1 ILE 95 2HG1 ILE 95 -10.036 3.042 3.648 654 2HG1 ILE 95 3HG1 ILE 95 -10.667 4.203 4.839 655 1HG2 ILE 95 3HG2 ILE 95 -8.971 0.598 6.154 656 2HG2 ILE 95 1HG2 ILE 95 -9.234 0.783 4.413 657 3HG2 ILE 95 2HG2 ILE 95 -7.886 1.619 5.218 658 1HD1 ILE 95 HD2 ILE 95 -7.724 3.720 4.624 659 2HD1 ILE 95 HD3 ILE 95 -8.663 4.887 3.669 660 3HD1 ILE 95 HD1 ILE 95 -8.613 5.015 5.450 661 H VAL 96 HN VAL 96 -12.818 3.563 4.871 662 HA VAL 96 HA VAL 96 -13.192 5.265 7.240 663 HB VAL 96 HB VAL 96 -14.376 6.762 5.789 664 1HG1 VAL 96 3HG1 VAL 96 -11.812 6.739 5.868 665 2HG1 VAL 96 1HG1 VAL 96 -11.875 5.928 4.287 666 3HG1 VAL 96 2HG1 VAL 96 -12.551 7.542 4.475 667 1HG2 VAL 96 2HG2 VAL 96 -15.506 5.198 4.263 668 2HG2 VAL 96 3HG2 VAL 96 -14.566 6.396 3.359 669 3HG2 VAL 96 1HG2 VAL 96 -13.949 4.749 3.543 No H/Q in entry = 668 Start of MODEL 5 1 1H ALA 1 1HN ALA 1 15.063 -5.028 1.195 2 2H ALA 1 2HN ALA 1 15.581 -3.502 0.895 3 2H ALA 1 3HN ALA 1 15.581 -3.502 0.895 4 HA ALA 1 HA ALA 1 16.976 -3.999 -0.653 5 1HB ALA 1 2HB ALA 1 18.377 -5.086 0.916 6 2HB ALA 1 3HB ALA 1 17.424 -6.594 0.798 7 3HB ALA 1 1HB ALA 1 18.322 -5.987 -0.636 8 H THR 2 HN THR 2 14.950 -3.813 -1.705 9 HA THR 2 HA THR 2 13.286 -4.458 -3.106 10 HB THR 2 HB THR 2 15.465 -6.357 -3.993 11 HG1 THR 2 HG1 THR 2 15.354 -3.548 -4.389 12 1HG2 THR 2 1HG2 THR 2 13.464 -4.600 -5.503 13 2HG2 THR 2 2HG2 THR 2 14.769 -5.541 -6.255 14 3HG2 THR 2 3HG2 THR 2 13.451 -6.373 -5.409 15 H TYR 3 HN TYR 3 11.768 -5.282 -1.654 16 HA TYR 3 HA TYR 3 11.832 -8.202 -1.131 17 1HB TYR 3 2HB TYR 3 10.021 -6.070 0.032 18 2HB TYR 3 3HB TYR 3 10.238 -7.721 0.603 19 HD1 TYR 3 HD1 TYR 3 12.880 -8.347 1.069 20 HD2 TYR 3 HD2 TYR 3 11.199 -4.377 1.112 21 HE1 TYR 3 HE1 TYR 3 14.536 -7.653 2.773 22 HE2 TYR 3 HE2 TYR 3 12.741 -3.752 2.913 23 HH TYR 3 HOH TYR 3 13.806 -4.952 4.806 24 H ASN 4 HN ASN 4 9.900 -9.441 -1.170 25 HA ASN 4 HA ASN 4 8.437 -9.180 -3.670 26 1HB ASN 4 2HB ASN 4 9.492 -11.254 -2.769 27 2HB ASN 4 3HB ASN 4 8.369 -11.261 -1.435 28 1HD2 ASN 4 2HND ASN 4 5.571 -12.354 -3.295 29 2HD2 ASN 4 1HND ASN 4 6.059 -11.178 -2.075 30 H VAL 5 HN VAL 5 6.987 -7.414 -3.348 31 HA VAL 5 HA VAL 5 5.249 -7.477 -0.943 32 HB VAL 5 HB VAL 5 5.369 -5.476 -3.200 33 1HG1 VAL 5 3HG1 VAL 5 3.689 -5.675 -0.655 34 2HG1 VAL 5 1HG1 VAL 5 4.061 -4.108 -1.376 35 3HG1 VAL 5 2HG1 VAL 5 3.181 -5.335 -2.296 36 1HG2 VAL 5 3HG2 VAL 5 6.575 -5.455 -0.401 37 2HG2 VAL 5 1HG2 VAL 5 7.428 -5.379 -1.946 38 3HG2 VAL 5 2HG2 VAL 5 6.412 -4.020 -1.433 39 H LYS 6 HN LYS 6 3.321 -8.640 -1.048 40 HA LYS 6 HA LYS 6 2.128 -9.085 -3.721 41 1HB LYS 6 2HB LYS 6 2.414 -10.966 -2.101 42 2HB LYS 6 3HB LYS 6 1.264 -10.138 -1.056 43 1HG LYS 6 2HG LYS 6 -0.364 -10.082 -3.082 44 2HG LYS 6 3HG LYS 6 0.809 -11.110 -3.919 45 1HD LYS 6 2HD LYS 6 -0.780 -11.742 -1.380 46 2HD LYS 6 3HD LYS 6 -0.984 -12.295 -3.029 47 1HE LYS 6 2HE LYS 6 1.516 -13.102 -2.788 48 2HE LYS 6 3HE LYS 6 1.225 -12.978 -1.072 49 1HZ LYS 6 1HNZ LYS 6 -0.571 -14.415 -3.017 50 2HZ LYS 6 2HNZ LYS 6 0.732 -15.173 -2.286 51 3HZ LYS 6 3HNZ LYS 6 -0.545 -14.617 -1.394 52 H LEU 7 HN LEU 7 0.476 -8.056 -4.463 53 HA LEU 7 HA LEU 7 -1.278 -6.464 -2.675 54 1HB LEU 7 2HB LEU 7 -0.902 -6.002 -5.626 55 2HB LEU 7 3HB LEU 7 -1.725 -4.994 -4.492 56 HG LEU 7 HG LEU 7 1.254 -5.549 -4.655 57 1HD1 LEU 7 1HD1 LEU 7 0.156 -4.068 -6.417 58 2HD1 LEU 7 2HD1 LEU 7 -0.117 -2.904 -5.092 59 3HD1 LEU 7 3HD1 LEU 7 1.529 -3.352 -5.552 60 1HD2 LEU 7 3HD2 LEU 7 -0.247 -3.688 -2.763 61 2HD2 LEU 7 1HD2 LEU 7 0.814 -5.064 -2.355 62 3HD2 LEU 7 2HD2 LEU 7 1.498 -3.601 -3.062 63 H ILE 8 HN ILE 8 -2.892 -7.823 -2.155 64 HA ILE 8 HA ILE 8 -4.059 -9.653 -4.126 65 HB ILE 8 HB ILE 8 -4.738 -8.880 -1.293 66 1HG1 ILE 8 2HG1 ILE 8 -3.923 -11.613 -2.164 67 2HG1 ILE 8 3HG1 ILE 8 -2.677 -10.372 -1.961 68 1HG2 ILE 8 3HG2 ILE 8 -6.116 -10.892 -3.113 69 2HG2 ILE 8 1HG2 ILE 8 -6.338 -10.818 -1.354 70 3HG2 ILE 8 2HG2 ILE 8 -6.856 -9.467 -2.356 71 1HD1 ILE 8 HD1 ILE 8 -4.657 -11.179 0.200 72 2HD1 ILE 8 HD2 ILE 8 -2.966 -11.692 0.081 73 3HD1 ILE 8 HD3 ILE 8 -3.348 -9.977 0.333 74 H THR 9 HN THR 9 -4.433 -8.218 -5.805 75 HA THR 9 HA THR 9 -6.348 -6.063 -5.522 76 HB THR 9 HB THR 9 -6.125 -6.020 -7.963 77 HG1 THR 9 HG1 THR 9 -5.682 -8.326 -8.259 78 1HG2 THR 9 3HG2 THR 9 -3.452 -6.248 -6.496 79 2HG2 THR 9 1HG2 THR 9 -3.626 -5.652 -8.147 80 3HG2 THR 9 2HG2 THR 9 -4.387 -4.756 -6.827 81 HA PRO 10 HA PRO 10 -9.978 -8.537 -6.097 82 1HB PRO 10 2HB PRO 10 -11.228 -6.812 -8.011 83 2HB PRO 10 3HB PRO 10 -11.637 -7.068 -6.289 84 1HG PRO 10 2HG PRO 10 -10.416 -4.891 -7.580 85 2HG PRO 10 3HG PRO 10 -10.528 -5.067 -5.809 86 1HD PRO 10 2HD PRO 10 -8.254 -5.323 -7.550 87 2HD PRO 10 3HD PRO 10 -8.299 -5.293 -5.810 88 H ASP 11 HN ASP 11 -8.266 -7.440 -8.967 89 HA ASP 11 HA ASP 11 -9.230 -9.109 -11.020 90 1HB ASP 11 2HB ASP 11 -6.602 -7.735 -10.338 91 2HB ASP 11 3HB ASP 11 -6.656 -8.899 -11.647 92 H GLY 12 HN GLY 12 -7.237 -9.735 -8.225 93 1HA GLY 12 2HA GLY 12 -7.261 -11.821 -7.294 94 2HA GLY 12 3HA GLY 12 -7.092 -12.639 -8.865 95 H GLU 13 HN GLU 13 -5.434 -10.173 -6.892 96 HA GLU 13 HA GLU 13 -3.330 -9.845 -6.170 97 1HB GLU 13 2HB GLU 13 -2.989 -12.734 -6.913 98 2HB GLU 13 3HB GLU 13 -1.749 -11.773 -6.125 99 1HG GLU 13 2HG GLU 13 -2.900 -11.592 -4.132 100 2HG GLU 13 3HG GLU 13 -4.457 -12.047 -4.845 101 H VAL 14 HN VAL 14 -1.158 -9.461 -6.803 102 HA VAL 14 HA VAL 14 -0.445 -9.984 -9.661 103 HB VAL 14 HB VAL 14 0.670 -7.745 -9.725 104 1HG1 VAL 14 3HG1 VAL 14 -1.507 -8.273 -10.818 105 2HG1 VAL 14 1HG1 VAL 14 -2.349 -7.666 -9.372 106 3HG1 VAL 14 2HG1 VAL 14 -1.354 -6.578 -10.354 107 1HG2 VAL 14 2HG2 VAL 14 -0.487 -7.552 -6.994 108 2HG2 VAL 14 3HG2 VAL 14 0.834 -6.651 -7.720 109 3HG2 VAL 14 1HG2 VAL 14 -0.853 -6.177 -8.006 110 H GLU 15 HN GLU 15 1.141 -8.594 -6.819 111 HA GLU 15 HA GLU 15 2.927 -9.151 -5.635 112 1HB GLU 15 2HB GLU 15 2.023 -11.650 -6.240 113 2HB GLU 15 3HB GLU 15 3.635 -11.705 -6.991 114 1HG GLU 15 2HG GLU 15 4.766 -11.304 -5.015 115 2HG GLU 15 3HG GLU 15 3.308 -10.861 -4.133 116 H PHE 16 HN PHE 16 4.924 -8.327 -5.719 117 HA PHE 16 HA PHE 16 6.512 -8.379 -8.156 118 1HB PHE 16 2HB PHE 16 6.249 -6.241 -8.892 119 2HB PHE 16 3HB PHE 16 4.630 -6.842 -8.735 120 HD1 PHE 16 HD1 PHE 16 3.527 -6.300 -6.291 121 HD2 PHE 16 HD2 PHE 16 6.981 -4.269 -7.902 122 HE1 PHE 16 HE1 PHE 16 3.409 -4.650 -4.527 123 HE2 PHE 16 HE2 PHE 16 6.759 -2.563 -6.229 124 HZ PHE 16 HZ PHE 16 4.941 -2.645 -4.548 125 H LYS 17 HN LYS 17 8.315 -6.522 -7.956 126 HA LYS 17 HA LYS 17 9.365 -6.938 -5.202 127 1HB LYS 17 2HB LYS 17 10.591 -7.301 -7.817 128 2HB LYS 17 3HB LYS 17 11.468 -6.122 -6.858 129 1HG LYS 17 2HG LYS 17 12.404 -8.325 -6.335 130 2HG LYS 17 3HG LYS 17 11.584 -7.623 -4.946 131 1HD LYS 17 2HD LYS 17 10.713 -9.687 -4.754 132 2HD LYS 17 3HD LYS 17 9.504 -8.982 -5.830 133 1HE LYS 17 2HE LYS 17 11.845 -10.773 -6.622 134 2HE LYS 17 3HE LYS 17 10.141 -11.242 -6.548 135 1HZ LYS 17 2HNZ LYS 17 9.688 -9.633 -8.288 136 2HZ LYS 17 3HNZ LYS 17 11.275 -9.224 -8.370 137 3HZ LYS 17 1HNZ LYS 17 10.798 -10.743 -8.790 138 H CYS 18 HN CYS 18 9.557 -5.295 -3.905 139 HA CYS 18 HA CYS 18 9.622 -2.517 -5.055 140 1HB CYS 18 2HB CYS 18 7.463 -3.060 -4.042 141 2HB CYS 18 3HB CYS 18 8.350 -3.311 -2.536 142 HG CYS 18 HSG CYS 18 8.221 -0.673 -4.592 143 H ASP 19 HN ASP 19 11.496 -1.489 -4.632 144 HA ASP 19 HA ASP 19 13.450 -2.409 -2.755 145 1HB ASP 19 2HB ASP 19 13.264 0.402 -3.852 146 2HB ASP 19 3HB ASP 19 14.660 -0.434 -3.160 147 H ASP 20 HN ASP 20 14.108 -1.599 -0.804 148 HA ASP 20 HA ASP 20 12.033 -0.750 1.011 149 1HB ASP 20 2HB ASP 20 14.096 -0.689 2.629 150 2HB ASP 20 3HB ASP 20 13.667 -2.180 1.841 151 H ASP 21 HN ASP 21 13.942 0.936 -1.189 152 HA ASP 21 HA ASP 21 13.873 3.518 0.297 153 1HB ASP 21 2HB ASP 21 15.502 2.586 -2.110 154 2HB ASP 21 3HB ASP 21 15.552 4.205 -1.407 155 H VAL 22 HN VAL 22 11.807 1.908 -1.764 156 HA VAL 22 HA VAL 22 11.120 4.386 -3.279 157 HB VAL 22 HB VAL 22 12.467 2.526 -4.560 158 1HG1 VAL 22 3HG1 VAL 22 10.950 0.666 -3.692 159 2HG1 VAL 22 1HG1 VAL 22 9.705 1.278 -4.784 160 3HG1 VAL 22 2HG1 VAL 22 11.252 0.696 -5.426 161 1HG2 VAL 22 1HG2 VAL 22 11.321 4.448 -5.627 162 2HG2 VAL 22 2HG2 VAL 22 11.201 2.960 -6.598 163 3HG2 VAL 22 3HG2 VAL 22 9.818 3.502 -5.630 164 H TYR 23 HN TYR 23 8.688 4.417 -3.935 165 HA TYR 23 HA TYR 23 7.304 3.287 -1.643 166 1HB TYR 23 2HB TYR 23 6.131 4.737 -4.017 167 2HB TYR 23 3HB TYR 23 5.319 4.356 -2.514 168 HD1 TYR 23 HD1 TYR 23 6.975 5.120 -0.339 169 HD2 TYR 23 HD2 TYR 23 6.476 7.075 -4.156 170 HE1 TYR 23 HE1 TYR 23 7.355 7.323 0.716 171 HE2 TYR 23 HE2 TYR 23 7.074 9.227 -3.129 172 HH TYR 23 HOH TYR 23 7.373 10.354 -1.140 173 H VAL 24 HN VAL 24 5.587 1.833 -1.719 174 HA VAL 24 HA VAL 24 5.789 -0.444 -3.402 175 HB VAL 24 HB VAL 24 3.212 0.609 -2.126 176 1HG1 VAL 24 3HG1 VAL 24 3.063 -1.412 -3.681 177 2HG1 VAL 24 1HG1 VAL 24 4.223 -2.206 -2.574 178 3HG1 VAL 24 2HG1 VAL 24 2.616 -1.738 -1.992 179 1HG2 VAL 24 2HG2 VAL 24 5.474 -1.046 -0.930 180 2HG2 VAL 24 3HG2 VAL 24 4.890 0.524 -0.344 181 3HG2 VAL 24 1HG2 VAL 24 3.847 -0.890 -0.219 182 H LEU 25 HN LEU 25 3.577 2.360 -3.715 183 HA LEU 25 HA LEU 25 2.369 1.422 -6.063 184 1HB LEU 25 2HB LEU 25 1.009 3.085 -5.795 185 2HB LEU 25 3HB LEU 25 1.894 3.487 -4.345 186 HG LEU 25 HG LEU 25 1.347 5.373 -5.562 187 1HD1 LEU 25 1HD1 LEU 25 3.756 5.121 -4.506 188 2HD1 LEU 25 2HD1 LEU 25 4.243 5.513 -6.175 189 3HD1 LEU 25 3HD1 LEU 25 3.197 6.606 -5.290 190 1HD2 LEU 25 2HD2 LEU 25 1.154 4.438 -7.841 191 2HD2 LEU 25 3HD2 LEU 25 1.988 5.997 -7.776 192 3HD2 LEU 25 1HD2 LEU 25 2.914 4.551 -8.035 193 H ASP 26 HN ASP 26 5.283 3.495 -5.686 194 HA ASP 26 HA ASP 26 5.629 4.340 -8.288 195 1HB ASP 26 2HB ASP 26 7.715 3.335 -6.254 196 2HB ASP 26 3HB ASP 26 8.120 4.128 -7.763 197 H GLN 27 HN GLN 27 7.174 1.506 -6.778 198 HA GLN 27 HA GLN 27 8.202 0.689 -9.259 199 1HB GLN 27 2HB GLN 27 9.188 0.494 -6.979 200 2HB GLN 27 3HB GLN 27 8.161 -0.909 -6.672 201 1HG GLN 27 2HG GLN 27 9.290 -2.190 -8.258 202 2HG GLN 27 3HG GLN 27 9.836 -0.785 -9.181 203 1HE2 GLN 27 2HNE GLN 27 12.783 -0.198 -7.233 204 2HE2 GLN 27 1HNE GLN 27 11.703 0.481 -8.469 205 H ALA 28 HN ALA 28 5.312 -0.264 -7.389 206 HA ALA 28 HA ALA 28 4.485 -2.491 -8.900 207 1HB ALA 28 3HB ALA 28 3.357 -1.643 -6.861 208 2HB ALA 28 1HB ALA 28 2.793 -0.228 -7.794 209 3HB ALA 28 2HB ALA 28 2.237 -1.858 -8.206 210 H GLU 29 HN GLU 29 3.611 0.981 -9.493 211 HA GLU 29 HA GLU 29 2.319 0.425 -11.960 212 1HB GLU 29 2HB GLU 29 3.577 2.984 -10.878 213 2HB GLU 29 3HB GLU 29 2.820 2.877 -12.475 214 1HG GLU 29 2HG GLU 29 0.722 2.011 -11.391 215 2HG GLU 29 3HG GLU 29 1.447 2.368 -9.818 216 H GLU 30 HN GLU 30 5.779 1.188 -11.188 217 HA GLU 30 HA GLU 30 6.727 1.122 -13.842 218 1HB GLU 30 2HB GLU 30 8.241 0.191 -11.419 219 2HB GLU 30 3HB GLU 30 8.902 0.587 -12.992 220 1HG GLU 30 2HG GLU 30 7.305 2.855 -12.108 221 2HG GLU 30 3HG GLU 30 8.425 2.393 -10.826 222 H GLU 31 HN GLU 31 5.998 -1.679 -11.794 223 HA GLU 31 HA GLU 31 7.006 -3.510 -13.829 224 1HB GLU 31 2HB GLU 31 5.034 -4.108 -11.604 225 2HB GLU 31 3HB GLU 31 6.068 -5.249 -12.480 226 1HG GLU 31 2HG GLU 31 7.701 -3.110 -11.438 227 2HG GLU 31 3HG GLU 31 6.629 -3.612 -10.172 228 H GLY 32 HN GLY 32 4.081 -1.805 -13.211 229 1HA GLY 32 2HA GLY 32 2.693 -1.265 -15.162 230 2HA GLY 32 3HA GLY 32 2.754 -2.960 -15.658 231 H ILE 33 HN ILE 33 2.531 -2.493 -12.212 232 HA ILE 33 HA ILE 33 -0.110 -3.719 -12.220 233 HB ILE 33 HB ILE 33 1.558 -2.532 -10.027 234 1HG1 ILE 33 2HG1 ILE 33 1.227 -5.396 -10.929 235 2HG1 ILE 33 3HG1 ILE 33 2.674 -4.409 -11.227 236 1HG2 ILE 33 2HG2 ILE 33 -1.095 -3.081 -9.705 237 2HG2 ILE 33 3HG2 ILE 33 -0.463 -4.697 -9.535 238 3HG2 ILE 33 1HG2 ILE 33 0.100 -3.404 -8.459 239 1HD1 ILE 33 HD1 ILE 33 1.873 -4.746 -8.357 240 2HD1 ILE 33 HD2 ILE 33 2.665 -6.070 -9.229 241 3HD1 ILE 33 HD3 ILE 33 3.443 -4.476 -9.118 242 H ASP 34 HN ASP 34 -1.987 -2.733 -12.170 243 HA ASP 34 HA ASP 34 -2.300 0.193 -11.686 244 1HB ASP 34 2HB ASP 34 -3.324 -0.853 -13.685 245 2HB ASP 34 3HB ASP 34 -4.268 -1.939 -12.640 246 H ILE 35 HN ILE 35 -2.810 0.875 -9.694 247 HA ILE 35 HA ILE 35 -4.551 -0.705 -8.006 248 HB ILE 35 HB ILE 35 -3.246 -0.721 -6.075 249 1HG1 ILE 35 2HG1 ILE 35 -1.064 0.917 -7.427 250 2HG1 ILE 35 3HG1 ILE 35 -2.186 1.495 -6.184 251 1HG2 ILE 35 2HG2 ILE 35 -2.699 -2.472 -7.747 252 2HG2 ILE 35 3HG2 ILE 35 -1.265 -1.486 -8.188 253 3HG2 ILE 35 1HG2 ILE 35 -1.450 -2.167 -6.567 254 1HD1 ILE 35 HD1 ILE 35 -1.324 -0.320 -4.643 255 2HD1 ILE 35 HD2 ILE 35 -0.009 -0.581 -5.810 256 3HD1 ILE 35 HD3 ILE 35 -0.178 0.982 -5.013 257 HA PRO 36 HA PRO 36 -6.193 3.235 -7.497 258 1HB PRO 36 2HB PRO 36 -7.076 3.310 -4.820 259 2HB PRO 36 3HB PRO 36 -7.944 2.671 -6.237 260 1HG PRO 36 2HG PRO 36 -6.652 1.164 -4.072 261 2HG PRO 36 3HG PRO 36 -7.792 0.609 -5.343 262 1HD PRO 36 2HD PRO 36 -4.940 0.261 -5.189 263 2HD PRO 36 3HD PRO 36 -6.057 -0.287 -6.482 264 H TYR 37 HN TYR 37 -4.613 4.741 -7.692 265 HA TYR 37 HA TYR 37 -3.411 5.908 -5.225 266 1HB TYR 37 2HB TYR 37 -1.646 4.686 -6.323 267 2HB TYR 37 3HB TYR 37 -2.123 5.285 -7.909 268 HD1 TYR 37 HD1 TYR 37 -1.093 6.633 -4.548 269 HD2 TYR 37 HD2 TYR 37 -0.829 7.027 -8.825 270 HE1 TYR 37 HE1 TYR 37 0.827 8.203 -4.297 271 HE2 TYR 37 HE2 TYR 37 1.060 8.590 -8.571 272 HH TYR 37 HOH TYR 37 2.797 9.110 -7.070 273 H SER 38 HN SER 38 -4.953 7.512 -5.133 274 HA SER 38 HA SER 38 -5.232 9.365 -7.446 275 1HB SER 38 2HB SER 38 -7.257 8.889 -6.090 276 2HB SER 38 3HB SER 38 -6.483 9.597 -4.676 277 HG SER 38 HOG SER 38 -7.693 11.153 -5.692 278 H CYS 39 HN CYS 39 -5.173 11.662 -5.900 279 HA CYS 39 HA CYS 39 -3.594 13.310 -5.995 280 1HB CYS 39 2HB CYS 39 -2.778 13.806 -3.911 281 2HB CYS 39 3HB CYS 39 -4.293 12.962 -3.673 282 H ARG 40 HN ARG 40 -0.995 12.995 -4.468 283 HA ARG 40 HA ARG 40 0.568 10.948 -5.074 284 1HB ARG 40 2HB ARG 40 2.194 11.656 -6.787 285 2HB ARG 40 3HB ARG 40 0.615 11.326 -7.469 286 1HG ARG 40 2HG ARG 40 0.181 13.857 -7.446 287 2HG ARG 40 3HG ARG 40 1.849 14.062 -6.907 288 1HD ARG 40 2HD ARG 40 2.212 14.262 -9.145 289 2HD ARG 40 3HD ARG 40 2.407 12.505 -8.976 290 HE ARG 40 HNE ARG 40 -0.345 13.213 -9.474 291 1HH1 ARG 40 2HN2 ARG 40 2.735 12.636 -11.060 292 2HH1 ARG 40 1HN2 ARG 40 2.103 12.567 -12.675 293 1HH2 ARG 40 2HN1 ARG 40 -1.230 13.293 -11.626 294 2HH2 ARG 40 1HN1 ARG 40 -0.223 12.963 -13.001 295 H ALA 41 HN ALA 41 0.081 12.526 -2.949 296 HA ALA 41 HA ALA 41 2.596 13.615 -2.065 297 1HB ALA 41 2HB ALA 41 0.419 15.580 -2.918 298 2HB ALA 41 3HB ALA 41 1.824 15.985 -1.911 299 3HB ALA 41 1HB ALA 41 2.059 15.464 -3.587 300 H GLY 42 HN GLY 42 2.133 12.304 -0.293 301 1HA GLY 42 2HA GLY 42 0.005 11.635 1.133 302 2HA GLY 42 3HA GLY 42 1.535 12.066 1.905 303 H SER 43 HN SER 43 -1.716 13.086 1.224 304 HA SER 43 HA SER 43 -1.820 15.087 3.297 305 1HB SER 43 2HB SER 43 -0.460 16.289 1.485 306 2HB SER 43 3HB SER 43 -1.880 16.153 0.440 307 HG SER 43 HOG SER 43 -3.003 17.219 2.308 308 H CYS 44 HN CYS 44 -3.203 13.813 0.193 309 HA CYS 44 HA CYS 44 -5.860 14.650 0.873 310 1HB CYS 44 2HB CYS 44 -6.333 14.123 -1.134 311 2HB CYS 44 3HB CYS 44 -4.657 13.719 -1.426 312 H SER 45 HN SER 45 -7.568 12.680 0.771 313 HA SER 45 HA SER 45 -6.849 10.681 2.816 314 1HB SER 45 2HB SER 45 -9.200 12.585 3.084 315 2HB SER 45 3HB SER 45 -8.941 11.145 4.082 316 HG SER 45 HOG SER 45 -6.739 12.802 3.887 317 H SER 46 HN SER 46 -6.778 9.617 0.637 318 HA SER 46 HA SER 46 -9.032 7.883 0.658 319 1HB SER 46 2HB SER 46 -9.602 7.984 -1.737 320 2HB SER 46 3HB SER 46 -9.926 9.525 -0.951 321 HG SER 46 HOG SER 46 -7.756 10.141 -1.738 322 H CYS 47 HN CYS 47 -8.411 6.181 -1.244 323 HA CYS 47 HA CYS 47 -7.122 4.531 -1.872 324 1HB CYS 47 2HB CYS 47 -4.967 4.578 -2.398 325 2HB CYS 47 3HB CYS 47 -5.429 6.238 -2.673 326 H ALA 48 HN ALA 48 -6.167 2.670 -1.000 327 HA ALA 48 HA ALA 48 -4.675 2.393 1.183 328 1HB ALA 48 3HB ALA 48 -7.588 2.409 2.062 329 2HB ALA 48 1HB ALA 48 -6.381 1.464 2.950 330 3HB ALA 48 2HB ALA 48 -6.176 3.195 2.821 331 H GLY 49 HN GLY 49 -4.641 0.255 2.157 332 1HA GLY 49 2HA GLY 49 -6.042 -1.859 0.741 333 2HA GLY 49 3HA GLY 49 -4.270 -1.935 0.802 334 H LYS 50 HN LYS 50 -5.628 -3.982 1.963 335 HA LYS 50 HA LYS 50 -5.580 -3.518 4.828 336 1HB LYS 50 2HB LYS 50 -7.377 -4.729 3.283 337 2HB LYS 50 3HB LYS 50 -6.398 -6.152 3.577 338 1HG LYS 50 2HG LYS 50 -6.824 -6.109 5.923 339 2HG LYS 50 3HG LYS 50 -7.252 -4.393 5.878 340 1HD LYS 50 2HD LYS 50 -9.168 -5.026 4.326 341 2HD LYS 50 3HD LYS 50 -8.938 -6.703 4.854 342 1HE LYS 50 2HE LYS 50 -9.395 -6.057 7.201 343 2HE LYS 50 3HE LYS 50 -9.220 -4.385 6.822 344 1HZ LYS 50 3HNZ LYS 50 -11.163 -4.810 5.149 345 2HZ LYS 50 1HNZ LYS 50 -11.597 -5.933 6.260 346 3HZ LYS 50 2HNZ LYS 50 -11.398 -4.325 6.658 347 H VAL 51 HN VAL 51 -3.687 -3.983 5.889 348 HA VAL 51 HA VAL 51 -1.481 -5.429 4.686 349 HB VAL 51 HB VAL 51 -2.027 -4.632 7.604 350 1HG1 VAL 51 1HG1 VAL 51 0.610 -5.319 6.231 351 2HG1 VAL 51 2HG1 VAL 51 0.412 -4.719 7.889 352 3HG1 VAL 51 3HG1 VAL 51 -0.226 -6.313 7.457 353 1HG2 VAL 51 2HG2 VAL 51 -0.443 -3.161 5.474 354 2HG2 VAL 51 3HG2 VAL 51 -2.013 -2.658 6.161 355 3HG2 VAL 51 1HG2 VAL 51 -0.574 -2.681 7.180 356 H VAL 52 HN VAL 52 -1.615 -7.601 4.344 357 HA VAL 52 HA VAL 52 -3.241 -9.314 6.138 358 HB VAL 52 HB VAL 52 -1.542 -9.849 3.712 359 1HG1 VAL 52 3HG1 VAL 52 -3.357 -11.757 5.247 360 2HG1 VAL 52 1HG1 VAL 52 -2.632 -12.100 3.661 361 3HG1 VAL 52 2HG1 VAL 52 -1.592 -11.893 5.071 362 1HG2 VAL 52 2HG2 VAL 52 -4.556 -9.666 4.092 363 2HG2 VAL 52 3HG2 VAL 52 -3.511 -8.613 3.108 364 3HG2 VAL 52 1HG2 VAL 52 -3.781 -10.293 2.628 365 H SER 53 HN SER 53 0.228 -8.771 5.203 366 HA SER 53 HA SER 53 1.082 -9.551 7.841 367 1HB SER 53 2HB SER 53 0.611 -11.821 6.676 368 2HB SER 53 3HB SER 53 1.980 -11.430 5.621 369 HG SER 53 HOG SER 53 1.934 -11.823 8.429 370 H GLY 54 HN GLY 54 3.591 -9.905 7.733 371 1HA GLY 54 2HA GLY 54 5.651 -8.835 7.397 372 2HA GLY 54 3HA GLY 54 5.040 -8.125 5.919 373 H SER 55 HN SER 55 6.113 -6.098 6.658 374 HA SER 55 HA SER 55 4.123 -4.379 7.837 375 1HB SER 55 2HB SER 55 6.915 -4.450 9.054 376 2HB SER 55 3HB SER 55 5.566 -3.419 9.517 377 HG SER 55 HOG SER 55 4.577 -5.789 9.755 378 H ILE 56 HN ILE 56 4.714 -2.123 7.367 379 HA ILE 56 HA ILE 56 6.985 -1.609 5.615 380 HB ILE 56 HB ILE 56 5.616 -0.492 4.000 381 1HG1 ILE 56 2HG1 ILE 56 3.135 -1.514 5.387 382 2HG1 ILE 56 3HG1 ILE 56 3.667 0.163 5.378 383 1HG2 ILE 56 1HG2 ILE 56 5.997 -3.124 3.929 384 2HG2 ILE 56 2HG2 ILE 56 4.255 -3.156 4.172 385 3HG2 ILE 56 3HG2 ILE 56 4.932 -2.328 2.757 386 1HD1 ILE 56 HD3 ILE 56 3.785 -0.383 2.664 387 2HD1 ILE 56 HD1 ILE 56 2.413 -1.390 3.175 388 3HD1 ILE 56 HD2 ILE 56 2.435 0.366 3.467 389 H ASP 57 HN ASP 57 7.114 0.843 5.331 390 HA ASP 57 HA ASP 57 6.256 2.212 7.854 391 1HB ASP 57 2HB ASP 57 8.651 2.163 7.700 392 2HB ASP 57 3HB ASP 57 8.623 2.631 5.995 393 H GLN 58 HN GLN 58 4.309 3.148 7.351 394 HA GLN 58 HA GLN 58 4.299 5.046 5.044 395 1HB GLN 58 2HB GLN 58 1.820 4.917 5.327 396 2HB GLN 58 3HB GLN 58 2.539 3.425 4.729 397 1HG GLN 58 2HG GLN 58 2.301 2.317 6.772 398 2HG GLN 58 3HG GLN 58 2.152 3.815 7.695 399 1HE2 GLN 58 2HNE GLN 58 -1.114 2.285 7.733 400 2HE2 GLN 58 1HNE GLN 58 0.512 2.033 8.346 401 H SER 59 HN SER 59 5.849 5.784 7.165 402 HA SER 59 HA SER 59 4.169 7.543 8.833 403 1HB SER 59 2HB SER 59 7.202 7.325 8.655 404 2HB SER 59 3HB SER 59 6.252 8.091 9.944 405 HG SER 59 HOG SER 59 6.484 5.371 9.217 406 H ASP 60 HN ASP 60 3.627 8.213 6.301 407 HA ASP 60 HA ASP 60 5.155 10.755 5.789 408 1HB ASP 60 2HB ASP 60 5.818 9.010 4.181 409 2HB ASP 60 3HB ASP 60 4.126 8.772 3.721 410 H GLN 61 HN GLN 61 2.166 8.950 5.011 411 HA GLN 61 HA GLN 61 0.602 11.336 4.542 412 1HB GLN 61 2HB GLN 61 -1.236 9.935 4.256 413 2HB GLN 61 3HB GLN 61 0.102 8.922 3.717 414 1HG GLN 61 2HG GLN 61 -1.341 8.759 6.415 415 2HG GLN 61 3HG GLN 61 -1.536 7.647 5.080 416 1HE2 GLN 61 2HNE GLN 61 0.817 6.330 7.647 417 2HE2 GLN 61 1HNE GLN 61 -0.890 6.893 7.679 418 H SER 62 HN SER 62 -1.230 11.973 5.922 419 HA SER 62 HA SER 62 -1.204 10.875 8.688 420 1HB SER 62 2HB SER 62 -0.300 13.342 8.444 421 2HB SER 62 3HB SER 62 -2.021 13.742 8.241 422 HG SER 62 HOG SER 62 -1.439 13.804 10.436 423 H PHE 63 HN PHE 63 -2.558 10.199 6.119 424 HA PHE 63 HA PHE 63 -5.335 10.918 6.557 425 1HB PHE 63 2HB PHE 63 -4.729 10.558 4.296 426 2HB PHE 63 3HB PHE 63 -4.001 8.987 4.650 427 HD1 PHE 63 HD2 PHE 63 -7.325 9.988 6.085 428 HD2 PHE 63 HD1 PHE 63 -5.284 7.937 2.857 429 HE1 PHE 63 HE2 PHE 63 -9.288 8.564 5.740 430 HE2 PHE 63 HE1 PHE 63 -7.304 6.607 2.468 431 HZ PHE 63 HZ PHE 63 -9.293 6.873 3.919 432 H LEU 64 HN LEU 64 -3.832 7.526 6.474 433 HA LEU 64 HA LEU 64 -6.070 6.574 7.793 434 1HB LEU 64 2HB LEU 64 -3.325 5.345 7.526 435 2HB LEU 64 3HB LEU 64 -4.552 4.615 8.532 436 HG LEU 64 HG LEU 64 -6.147 4.674 6.528 437 1HD1 LEU 64 3HD1 LEU 64 -3.468 5.158 5.199 438 2HD1 LEU 64 1HD1 LEU 64 -4.918 4.604 4.322 439 3HD1 LEU 64 2HD1 LEU 64 -4.897 6.208 5.068 440 1HD2 LEU 64 1HD2 LEU 64 -3.628 2.981 6.525 441 2HD2 LEU 64 2HD2 LEU 64 -5.129 2.649 7.414 442 3HD2 LEU 64 3HD2 LEU 64 -5.124 2.590 5.639 443 H ASP 65 HN ASP 65 -6.541 6.046 9.823 444 HA ASP 65 HA ASP 65 -5.094 7.472 11.993 445 1HB ASP 65 2HB ASP 65 -7.845 6.189 11.843 446 2HB ASP 65 3HB ASP 65 -7.154 6.807 13.347 447 H ASP 66 HN ASP 66 -5.040 6.314 14.109 448 HA ASP 66 HA ASP 66 -3.295 4.120 14.022 449 1HB ASP 66 2HB ASP 66 -5.141 5.058 16.277 450 2HB ASP 66 3HB ASP 66 -3.755 3.974 16.458 451 H GLU 67 HN GLU 67 -6.796 4.368 14.540 452 HA GLU 67 HA GLU 67 -7.417 1.758 15.197 453 1HB GLU 67 2HB GLU 67 -9.299 3.200 13.302 454 2HB GLU 67 3HB GLU 67 -9.598 2.354 14.814 455 1HG GLU 67 2HG GLU 67 -8.443 4.351 15.943 456 2HG GLU 67 3HG GLU 67 -8.630 5.169 14.376 457 H GLN 68 HN GLN 68 -7.599 3.206 11.906 458 HA GLN 68 HA GLN 68 -8.081 0.887 10.499 459 1HB GLN 68 2HB GLN 68 -6.581 3.388 9.689 460 2HB GLN 68 3HB GLN 68 -7.214 2.190 8.552 461 1HG GLN 68 2HG GLN 68 -9.469 2.544 9.153 462 2HG GLN 68 3HG GLN 68 -9.051 3.537 10.551 463 1HE2 GLN 68 2HNE GLN 68 -10.038 5.692 7.689 464 2HE2 GLN 68 1HNE GLN 68 -10.790 4.304 8.432 465 H MET 69 HN MET 69 -4.834 2.437 11.126 466 HA MET 69 HA MET 69 -3.271 0.486 9.870 467 1HB MET 69 2HB MET 69 -2.730 2.075 12.417 468 2HB MET 69 3HB MET 69 -1.513 1.201 11.487 469 1HG MET 69 2HG MET 69 -1.875 2.682 9.552 470 2HG MET 69 3HG MET 69 -3.210 3.444 10.348 471 1HE MET 69 HE1 MET 69 -2.209 5.655 9.686 472 2HE MET 69 HE2 MET 69 -0.614 6.282 10.174 473 3HE MET 69 HE3 MET 69 -0.733 4.936 9.005 474 H ASP 70 HN ASP 70 -4.172 0.510 13.341 475 HA ASP 70 HA ASP 70 -2.973 -1.936 14.068 476 1HB ASP 70 2HB ASP 70 -3.877 -0.145 15.620 477 2HB ASP 70 3HB ASP 70 -5.508 -0.647 15.191 478 H ALA 71 HN ALA 71 -6.179 -1.140 12.918 479 HA ALA 71 HA ALA 71 -7.482 -3.640 13.171 480 1HB ALA 71 3HB ALA 71 -7.937 -1.290 11.302 481 2HB ALA 71 1HB ALA 71 -9.092 -2.624 11.519 482 3HB ALA 71 2HB ALA 71 -8.700 -1.548 12.879 483 H GLY 72 HN GLY 72 -5.143 -2.528 10.770 484 1HA GLY 72 2HA GLY 72 -4.037 -4.422 9.658 485 2HA GLY 72 3HA GLY 72 -5.598 -5.057 9.238 486 H TYR 73 HN TYR 73 -4.983 -1.530 9.014 487 HA TYR 73 HA TYR 73 -5.136 -1.855 6.046 488 1HB TYR 73 2HB TYR 73 -6.178 0.349 7.775 489 2HB TYR 73 3HB TYR 73 -6.194 0.309 6.021 490 HD1 TYR 73 HD2 TYR 73 -7.321 -1.650 4.814 491 HD2 TYR 73 HD1 TYR 73 -8.011 -0.727 8.963 492 HE1 TYR 73 HE2 TYR 73 -9.582 -2.551 4.641 493 HE2 TYR 73 HE1 TYR 73 -10.322 -1.529 8.767 494 HH TYR 73 HOH TYR 73 -12.073 -1.796 6.520 495 H VAL 74 HN VAL 74 -4.196 -0.119 4.749 496 HA VAL 74 HA VAL 74 -2.040 1.487 5.909 497 HB VAL 74 HB VAL 74 -1.048 -0.701 5.742 498 1HG1 VAL 74 2HG1 VAL 74 -1.733 -0.668 2.765 499 2HG1 VAL 74 3HG1 VAL 74 -0.658 -1.817 3.576 500 3HG1 VAL 74 1HG1 VAL 74 -2.384 -1.793 3.976 501 1HG2 VAL 74 3HG2 VAL 74 0.174 1.475 4.974 502 2HG2 VAL 74 1HG2 VAL 74 0.887 -0.128 4.841 503 3HG2 VAL 74 2HG2 VAL 74 0.179 0.679 3.401 504 H LEU 75 HN LEU 75 -1.380 3.167 4.455 505 HA LEU 75 HA LEU 75 -3.196 3.622 2.171 506 1HB LEU 75 2HB LEU 75 -3.077 5.566 3.077 507 2HB LEU 75 3HB LEU 75 -1.555 5.293 3.932 508 HG LEU 75 HG LEU 75 -1.554 5.831 0.957 509 1HD1 LEU 75 1HD1 LEU 75 -2.130 7.863 3.090 510 2HD1 LEU 75 2HD1 LEU 75 -1.479 8.258 1.499 511 3HD1 LEU 75 3HD1 LEU 75 -3.049 7.436 1.658 512 1HD2 LEU 75 3HD2 LEU 75 0.299 6.460 3.317 513 2HD2 LEU 75 1HD2 LEU 75 0.628 5.305 2.020 514 3HD2 LEU 75 2HD2 LEU 75 0.580 7.042 1.681 515 H THR 76 HN THR 76 -2.549 3.749 0.015 516 HA THR 76 HA THR 76 0.043 2.419 -0.637 517 HB THR 76 HB THR 76 -1.272 1.595 -2.634 518 HG1 THR 76 HG1 THR 76 -3.041 3.068 -2.499 519 1HG2 THR 76 1HG2 THR 76 -0.838 0.192 -0.609 520 2HG2 THR 76 2HG2 THR 76 -2.346 0.793 0.115 521 3HG2 THR 76 3HG2 THR 76 -2.402 -0.173 -1.365 522 H CYS 77 HN CYS 77 -0.220 5.227 -0.208 523 HA CYS 77 HA CYS 77 0.555 6.272 -2.895 524 1HB CYS 77 2HB CYS 77 -0.334 7.631 -0.336 525 2HB CYS 77 3HB CYS 77 0.825 8.400 -1.415 526 H HIS 78 HN HIS 78 1.777 7.512 0.083 527 HA HIS 78 HA HIS 78 4.504 6.723 -0.622 528 1HB HIS 78 2HB HIS 78 3.311 8.619 1.431 529 2HB HIS 78 3HB HIS 78 5.041 8.352 1.208 530 HD1 HIS 78 HND HIS 78 4.387 11.158 0.907 531 HD2 HIS 78 HD HIS 78 3.963 8.428 -2.269 532 HE1 HIS 78 HE HIS 78 4.641 12.504 -1.281 533 H ALA 79 HN ALA 79 4.518 4.500 -0.052 534 HA ALA 79 HA ALA 79 4.977 4.104 2.833 535 1HB ALA 79 2HB ALA 79 2.639 3.319 2.393 536 2HB ALA 79 3HB ALA 79 3.278 2.193 1.174 537 3HB ALA 79 1HB ALA 79 3.769 2.037 2.882 538 H TYR 80 HN TYR 80 6.717 2.849 3.199 539 HA TYR 80 HA TYR 80 8.270 1.831 0.831 540 1HB TYR 80 2HB TYR 80 9.070 2.722 3.636 541 2HB TYR 80 3HB TYR 80 10.141 1.974 2.459 542 HD1 TYR 80 HD2 TYR 80 10.509 3.107 0.226 543 HD2 TYR 80 HD1 TYR 80 8.696 5.102 3.582 544 HE1 TYR 80 HE2 TYR 80 10.868 5.298 -0.878 545 HE2 TYR 80 HE1 TYR 80 9.265 7.299 2.576 546 HH TYR 80 HOH TYR 80 10.837 7.562 -0.629 547 HA PRO 81 HA PRO 81 7.424 -2.121 2.754 548 1HB PRO 81 2HB PRO 81 8.894 -3.673 0.929 549 2HB PRO 81 3HB PRO 81 7.181 -3.192 0.792 550 1HG PRO 81 2HG PRO 81 9.529 -2.133 -0.703 551 2HG PRO 81 3HG PRO 81 7.766 -1.989 -1.019 552 1HD PRO 81 2HD PRO 81 9.429 0.020 -0.012 553 2HD PRO 81 3HD PRO 81 7.659 0.023 -0.221 554 H THR 82 HN THR 82 8.470 -2.693 4.649 555 HA THR 82 HA THR 82 11.387 -2.314 4.791 556 HB THR 82 HB THR 82 10.894 -2.798 7.250 557 HG1 THR 82 HG1 THR 82 8.598 -3.580 6.571 558 1HG2 THR 82 2HG2 THR 82 11.292 -0.539 6.311 559 2HG2 THR 82 3HG2 THR 82 9.577 -0.412 5.872 560 3HG2 THR 82 1HG2 THR 82 10.050 -0.498 7.580 561 H SER 83 HN SER 83 9.184 -4.892 4.210 562 HA SER 83 HA SER 83 11.286 -6.806 3.998 563 1HB SER 83 2HB SER 83 9.051 -7.275 6.032 564 2HB SER 83 3HB SER 83 10.181 -8.522 5.468 565 HG SER 83 HOG SER 83 11.054 -7.768 7.318 566 H ASP 84 HN ASP 84 9.871 -9.052 3.479 567 HA ASP 84 HA ASP 84 8.140 -8.636 1.223 568 1HB ASP 84 2HB ASP 84 7.696 -11.047 1.606 569 2HB ASP 84 3HB ASP 84 9.402 -10.641 1.393 570 H VAL 85 HN VAL 85 6.212 -7.716 1.478 571 HA VAL 85 HA VAL 85 4.534 -8.226 3.880 572 HB VAL 85 HB VAL 85 5.261 -5.983 4.067 573 1HG1 VAL 85 3HG1 VAL 85 4.897 -5.877 1.095 574 2HG1 VAL 85 1HG1 VAL 85 4.859 -4.380 2.008 575 3HG1 VAL 85 2HG1 VAL 85 6.292 -5.403 2.072 576 1HG2 VAL 85 2HG2 VAL 85 2.502 -6.437 3.742 577 2HG2 VAL 85 3HG2 VAL 85 3.270 -5.051 4.455 578 3HG2 VAL 85 1HG2 VAL 85 2.823 -5.038 2.738 579 H VAL 86 HN VAL 86 2.391 -8.554 3.600 580 HA VAL 86 HA VAL 86 1.449 -8.931 0.795 581 HB VAL 86 HB VAL 86 0.615 -10.554 3.231 582 1HG1 VAL 86 3HG1 VAL 86 -0.257 -10.496 0.327 583 2HG1 VAL 86 1HG1 VAL 86 -0.448 -11.968 1.298 584 3HG1 VAL 86 2HG1 VAL 86 -1.264 -10.466 1.736 585 1HG2 VAL 86 3HG2 VAL 86 2.368 -11.306 0.833 586 2HG2 VAL 86 1HG2 VAL 86 2.883 -11.233 2.530 587 3HG2 VAL 86 2HG2 VAL 86 1.729 -12.465 2.017 588 H ILE 87 HN ILE 87 -0.138 -7.521 0.355 589 HA ILE 87 HA ILE 87 -1.912 -6.638 2.500 590 HB ILE 87 HB ILE 87 -0.402 -4.913 2.505 591 1HG1 ILE 87 2HG1 ILE 87 -2.815 -4.145 1.866 592 2HG1 ILE 87 3HG1 ILE 87 -1.482 -2.993 1.840 593 1HG2 ILE 87 2HG2 ILE 87 0.021 -5.104 -0.411 594 2HG2 ILE 87 3HG2 ILE 87 0.625 -3.779 0.608 595 3HG2 ILE 87 1HG2 ILE 87 1.181 -5.435 0.886 596 1HD1 ILE 87 HD3 ILE 87 -2.100 -4.531 -0.650 597 2HD1 ILE 87 HD1 ILE 87 -2.993 -3.075 -0.262 598 3HD1 ILE 87 HD2 ILE 87 -1.237 -2.999 -0.436 599 H GLU 88 HN GLU 88 -3.988 -5.957 1.679 600 HA GLU 88 HA GLU 88 -4.627 -6.865 -1.102 601 1HB GLU 88 2HB GLU 88 -6.609 -6.112 1.001 602 2HB GLU 88 3HB GLU 88 -6.874 -7.137 -0.417 603 1HG GLU 88 2HG GLU 88 -5.599 -8.927 0.750 604 2HG GLU 88 3HG GLU 88 -5.311 -7.812 2.093 605 H THR 89 HN THR 89 -4.709 -5.227 -2.560 606 HA THR 89 HA THR 89 -4.940 -2.428 -1.647 607 HB THR 89 HB THR 89 -4.840 -2.014 -4.155 608 HG1 THR 89 HG1 THR 89 -5.609 -4.416 -4.407 609 1HG2 THR 89 1HG2 THR 89 -2.647 -3.676 -2.895 610 2HG2 THR 89 2HG2 THR 89 -2.500 -2.697 -4.372 611 3HG2 THR 89 3HG2 THR 89 -2.832 -1.914 -2.820 612 H HIS 90 HN HIS 90 -6.544 -1.000 -2.929 613 HA HIS 90 HA HIS 90 -8.623 -0.366 -3.551 614 1HB HIS 90 2HB HIS 90 -9.346 -3.296 -3.977 615 2HB HIS 90 3HB HIS 90 -10.232 -1.883 -4.515 616 HD1 HIS 90 HND HIS 90 -6.434 -2.359 -5.158 617 HD2 HIS 90 HD HIS 90 -10.162 -2.361 -7.081 618 HE1 HIS 90 HE HIS 90 -5.945 -2.685 -7.605 619 H LYS 91 HN LYS 91 -8.103 -0.233 -0.964 620 HA LYS 91 HA LYS 91 -10.622 -1.166 0.373 621 1HB LYS 91 2HB LYS 91 -7.881 -0.826 1.610 622 2HB LYS 91 3HB LYS 91 -9.310 -1.489 2.390 623 1HG LYS 91 2HG LYS 91 -7.952 -2.748 -0.039 624 2HG LYS 91 3HG LYS 91 -7.759 -3.260 1.633 625 1HD LYS 91 2HD LYS 91 -9.924 -3.887 1.891 626 2HD LYS 91 3HD LYS 91 -10.470 -3.209 0.369 627 1HE LYS 91 2HE LYS 91 -9.725 -4.825 -0.956 628 2HE LYS 91 3HE LYS 91 -8.253 -5.056 -0.029 629 1HZ LYS 91 1HNZ LYS 91 -10.825 -6.045 1.011 630 2HZ LYS 91 2HNZ LYS 91 -9.851 -6.954 0.028 631 3HZ LYS 91 3HNZ LYS 91 -9.290 -6.488 1.455 632 H GLU 92 HN GLU 92 -10.129 1.369 -1.056 633 HA GLU 92 HA GLU 92 -9.790 3.491 0.822 634 1HB GLU 92 2HB GLU 92 -9.612 3.764 -1.558 635 2HB GLU 92 3HB GLU 92 -11.274 3.284 -1.845 636 1HG GLU 92 2HG GLU 92 -10.792 5.616 0.022 637 2HG GLU 92 3HG GLU 92 -10.433 5.839 -1.709 638 H GLU 93 HN GLU 93 -12.916 2.368 -0.602 639 HA GLU 93 HA GLU 93 -14.351 3.393 1.564 640 1HB GLU 93 2HB GLU 93 -16.317 2.392 0.458 641 2HB GLU 93 3HB GLU 93 -15.246 3.162 -0.714 642 1HG GLU 93 2HG GLU 93 -14.286 0.885 -1.266 643 2HG GLU 93 3HG GLU 93 -15.475 0.169 -0.164 644 H GLU 94 HN GLU 94 -12.328 1.091 2.267 645 HA GLU 94 HA GLU 94 -14.154 -0.628 3.871 646 1HB GLU 94 2HB GLU 94 -11.493 -1.025 2.513 647 2HB GLU 94 3HB GLU 94 -11.692 -1.738 4.093 648 1HG GLU 94 2HG GLU 94 -13.990 -2.435 2.482 649 2HG GLU 94 3HG GLU 94 -12.513 -2.803 1.602 650 H ILE 95 HN ILE 95 -11.852 2.036 3.880 651 HA ILE 95 HA ILE 95 -11.232 1.469 6.697 652 HB ILE 95 HB ILE 95 -9.389 2.955 6.503 653 1HG1 ILE 95 2HG1 ILE 95 -9.863 3.132 3.525 654 2HG1 ILE 95 3HG1 ILE 95 -10.376 4.396 4.682 655 1HG2 ILE 95 2HG2 ILE 95 -9.499 0.713 4.408 656 2HG2 ILE 95 3HG2 ILE 95 -8.022 1.432 5.066 657 3HG2 ILE 95 1HG2 ILE 95 -9.174 0.644 6.141 658 1HD1 ILE 95 HD2 ILE 95 -7.512 3.485 4.597 659 2HD1 ILE 95 HD3 ILE 95 -8.177 4.718 3.511 660 3HD1 ILE 95 HD1 ILE 95 -8.223 4.956 5.281 661 H VAL 96 HN VAL 96 -12.764 3.839 4.607 662 HA VAL 96 HA VAL 96 -13.174 5.685 6.884 663 HB VAL 96 HB VAL 96 -14.122 7.192 5.290 664 1HG1 VAL 96 1HG1 VAL 96 -11.570 6.951 5.461 665 2HG1 VAL 96 2HG1 VAL 96 -11.655 6.048 3.932 666 3HG1 VAL 96 3HG1 VAL 96 -12.184 7.728 3.994 667 1HG2 VAL 96 1HG2 VAL 96 -13.808 4.992 3.202 668 2HG2 VAL 96 2HG2 VAL 96 -15.336 5.658 3.809 669 3HG2 VAL 96 3HG2 VAL 96 -14.242 6.675 2.862 No H/Q in entry = 668 Start of MODEL 6 1 1H ALA 1 1HN ALA 1 17.731 -2.657 0.629 2 2H ALA 1 2HN ALA 1 16.692 -2.654 -0.563 3 2H ALA 1 3HN ALA 1 16.692 -2.654 -0.563 4 HA ALA 1 HA ALA 1 18.085 -5.058 0.114 5 1HB ALA 1 1HB ALA 1 17.099 -4.122 2.211 6 2HB ALA 1 2HB ALA 1 15.494 -4.292 1.464 7 3HB ALA 1 3HB ALA 1 16.494 -5.719 1.740 8 H THR 2 HN THR 2 14.853 -3.836 -0.873 9 HA THR 2 HA THR 2 13.518 -4.423 -2.574 10 HB THR 2 HB THR 2 15.679 -6.263 -3.590 11 HG1 THR 2 HG1 THR 2 15.177 -3.557 -4.246 12 1HG2 THR 2 1HG2 THR 2 13.267 -4.978 -4.934 13 2HG2 THR 2 2HG2 THR 2 14.617 -5.745 -5.794 14 3HG2 THR 2 3HG2 THR 2 13.606 -6.706 -4.707 15 H TYR 3 HN TYR 3 11.671 -5.490 -2.167 16 HA TYR 3 HA TYR 3 11.832 -8.290 -1.119 17 1HB TYR 3 2HB TYR 3 10.124 -6.044 -0.019 18 2HB TYR 3 3HB TYR 3 10.213 -7.702 0.577 19 HD1 TYR 3 HD2 TYR 3 12.790 -8.488 1.140 20 HD2 TYR 3 HD1 TYR 3 11.251 -4.468 1.277 21 HE1 TYR 3 HE2 TYR 3 14.494 -7.894 2.831 22 HE2 TYR 3 HE1 TYR 3 12.832 -3.942 3.118 23 HH TYR 3 HOH TYR 3 15.223 -6.281 4.328 24 H ASN 4 HN ASN 4 9.774 -9.389 -1.133 25 HA ASN 4 HA ASN 4 8.424 -9.051 -3.715 26 1HB ASN 4 2HB ASN 4 9.438 -11.179 -2.904 27 2HB ASN 4 3HB ASN 4 8.300 -11.227 -1.576 28 1HD2 ASN 4 2HND ASN 4 5.519 -12.204 -3.546 29 2HD2 ASN 4 1HND ASN 4 5.989 -11.088 -2.261 30 H VAL 5 HN VAL 5 7.020 -7.270 -3.344 31 HA VAL 5 HA VAL 5 5.259 -7.339 -0.957 32 HB VAL 5 HB VAL 5 5.426 -5.337 -3.225 33 1HG1 VAL 5 2HG1 VAL 5 3.843 -5.347 -0.603 34 2HG1 VAL 5 3HG1 VAL 5 4.107 -3.904 -1.585 35 3HG1 VAL 5 1HG1 VAL 5 3.199 -5.270 -2.241 36 1HG2 VAL 5 1HG2 VAL 5 6.579 -5.316 -0.403 37 2HG2 VAL 5 2HG2 VAL 5 7.479 -5.297 -1.929 38 3HG2 VAL 5 3HG2 VAL 5 6.481 -3.900 -1.473 39 H LYS 6 HN LYS 6 3.329 -8.509 -1.078 40 HA LYS 6 HA LYS 6 2.111 -8.841 -3.750 41 1HB LYS 6 2HB LYS 6 2.328 -10.762 -2.152 42 2HB LYS 6 3HB LYS 6 1.155 -9.917 -1.127 43 1HG LYS 6 2HG LYS 6 -0.394 -9.779 -3.191 44 2HG LYS 6 3HG LYS 6 0.792 -10.786 -4.036 45 1HD LYS 6 2HD LYS 6 -0.992 -11.489 -1.669 46 2HD LYS 6 3HD LYS 6 -0.970 -12.000 -3.356 47 1HE LYS 6 2HE LYS 6 1.393 -12.914 -2.881 48 2HE LYS 6 3HE LYS 6 1.027 -12.719 -1.184 49 1HZ LYS 6 1HNZ LYS 6 -0.839 -14.111 -3.061 50 2HZ LYS 6 2HNZ LYS 6 0.455 -14.931 -2.391 51 3HZ LYS 6 3HNZ LYS 6 -0.747 -14.295 -1.449 52 H LEU 7 HN LEU 7 0.434 -7.801 -4.475 53 HA LEU 7 HA LEU 7 -1.258 -6.176 -2.651 54 1HB LEU 7 2HB LEU 7 -0.695 -5.786 -5.606 55 2HB LEU 7 3HB LEU 7 -1.657 -4.735 -4.609 56 HG LEU 7 HG LEU 7 1.343 -5.204 -4.332 57 1HD1 LEU 7 3HD1 LEU 7 -0.257 -3.018 -5.655 58 2HD1 LEU 7 1HD1 LEU 7 1.505 -2.938 -5.366 59 3HD1 LEU 7 2HD1 LEU 7 0.817 -4.184 -6.435 60 1HD2 LEU 7 1HD2 LEU 7 -0.324 -4.232 -2.396 61 2HD2 LEU 7 2HD2 LEU 7 1.349 -3.680 -2.601 62 3HD2 LEU 7 3HD2 LEU 7 0.001 -2.739 -3.275 63 H ILE 8 HN ILE 8 -2.881 -7.471 -2.111 64 HA ILE 8 HA ILE 8 -4.127 -9.223 -4.118 65 HB ILE 8 HB ILE 8 -4.796 -8.475 -1.273 66 1HG1 ILE 8 2HG1 ILE 8 -4.067 -11.219 -2.185 67 2HG1 ILE 8 3HG1 ILE 8 -2.781 -10.028 -1.932 68 1HG2 ILE 8 3HG2 ILE 8 -6.216 -10.415 -3.132 69 2HG2 ILE 8 1HG2 ILE 8 -6.493 -10.293 -1.382 70 3HG2 ILE 8 2HG2 ILE 8 -6.902 -8.934 -2.431 71 1HD1 ILE 8 HD1 ILE 8 -4.822 -10.821 0.170 72 2HD1 ILE 8 HD2 ILE 8 -3.144 -11.382 0.065 73 3HD1 ILE 8 HD3 ILE 8 -3.478 -9.662 0.353 74 H THR 9 HN THR 9 -4.537 -7.862 -5.784 75 HA THR 9 HA THR 9 -6.264 -5.540 -5.460 76 HB THR 9 HB THR 9 -5.989 -5.468 -7.901 77 HG1 THR 9 HG1 THR 9 -5.671 -7.776 -8.244 78 1HG2 THR 9 1HG2 THR 9 -3.358 -5.880 -6.398 79 2HG2 THR 9 2HG2 THR 9 -3.488 -5.198 -8.019 80 3HG2 THR 9 3HG2 THR 9 -4.213 -4.330 -6.659 81 HA PRO 10 HA PRO 10 -10.026 -7.751 -6.063 82 1HB PRO 10 2HB PRO 10 -11.038 -6.006 -8.134 83 2HB PRO 10 3HB PRO 10 -11.616 -6.233 -6.456 84 1HG PRO 10 2HG PRO 10 -10.214 -4.104 -7.584 85 2HG PRO 10 3HG PRO 10 -10.379 -4.346 -5.827 86 1HD PRO 10 2HD PRO 10 -8.063 -4.677 -7.518 87 2HD PRO 10 3HD PRO 10 -8.162 -4.656 -5.786 88 H ASP 11 HN ASP 11 -8.241 -6.876 -8.968 89 HA ASP 11 HA ASP 11 -9.283 -8.541 -10.969 90 1HB ASP 11 2HB ASP 11 -6.572 -7.313 -10.315 91 2HB ASP 11 3HB ASP 11 -6.731 -8.442 -11.645 92 H GLY 12 HN GLY 12 -7.284 -9.213 -8.190 93 1HA GLY 12 2HA GLY 12 -7.390 -11.279 -7.234 94 2HA GLY 12 3HA GLY 12 -7.270 -12.131 -8.792 95 H GLU 13 HN GLU 13 -5.489 -9.712 -6.884 96 HA GLU 13 HA GLU 13 -3.380 -9.468 -6.162 97 1HB GLU 13 2HB GLU 13 -3.136 -12.364 -6.895 98 2HB GLU 13 3HB GLU 13 -1.864 -11.448 -6.109 99 1HG GLU 13 2HG GLU 13 -3.015 -11.227 -4.113 100 2HG GLU 13 3HG GLU 13 -4.581 -11.642 -4.828 101 H VAL 14 HN VAL 14 -1.181 -9.130 -6.834 102 HA VAL 14 HA VAL 14 -0.570 -9.684 -9.713 103 HB VAL 14 HB VAL 14 0.469 -7.413 -9.873 104 1HG1 VAL 14 1HG1 VAL 14 -1.792 -8.000 -10.818 105 2HG1 VAL 14 2HG1 VAL 14 -2.513 -7.359 -9.317 106 3HG1 VAL 14 3HG1 VAL 14 -1.600 -6.289 -10.396 107 1HG2 VAL 14 2HG2 VAL 14 -0.858 -7.123 -7.180 108 2HG2 VAL 14 3HG2 VAL 14 0.692 -6.453 -7.731 109 3HG2 VAL 14 1HG2 VAL 14 -0.863 -5.764 -8.250 110 H GLU 15 HN GLU 15 1.009 -8.278 -6.876 111 HA GLU 15 HA GLU 15 2.814 -8.840 -5.704 112 1HB GLU 15 2HB GLU 15 1.933 -11.314 -6.415 113 2HB GLU 15 3HB GLU 15 3.536 -11.340 -7.170 114 1HG GLU 15 2HG GLU 15 4.669 -11.035 -5.164 115 2HG GLU 15 3HG GLU 15 3.212 -10.620 -4.266 116 H PHE 16 HN PHE 16 4.892 -8.075 -5.727 117 HA PHE 16 HA PHE 16 6.485 -8.132 -8.157 118 1HB PHE 16 2HB PHE 16 6.378 -6.041 -8.894 119 2HB PHE 16 3HB PHE 16 4.703 -6.457 -8.681 120 HD1 PHE 16 HD1 PHE 16 3.865 -5.841 -6.091 121 HD2 PHE 16 HD2 PHE 16 7.179 -4.026 -8.183 122 HE1 PHE 16 HE1 PHE 16 3.821 -3.969 -4.547 123 HE2 PHE 16 HE2 PHE 16 7.192 -2.223 -6.597 124 HZ PHE 16 HZ PHE 16 5.413 -2.020 -4.859 125 H LYS 17 HN LYS 17 8.349 -6.396 -7.988 126 HA LYS 17 HA LYS 17 9.533 -6.914 -5.306 127 1HB LYS 17 2HB LYS 17 10.597 -6.981 -8.039 128 2HB LYS 17 3HB LYS 17 11.550 -5.958 -6.971 129 1HG LYS 17 2HG LYS 17 12.330 -8.307 -7.036 130 2HG LYS 17 3HG LYS 17 11.922 -7.724 -5.403 131 1HD LYS 17 2HD LYS 17 10.221 -9.153 -5.081 132 2HD LYS 17 3HD LYS 17 9.663 -8.940 -6.722 133 1HE LYS 17 2HE LYS 17 10.253 -11.267 -6.377 134 2HE LYS 17 3HE LYS 17 11.343 -10.540 -7.567 135 1HZ LYS 17 2HNZ LYS 17 11.946 -10.979 -4.709 136 2HZ LYS 17 3HNZ LYS 17 12.525 -11.871 -5.963 137 3HZ LYS 17 1HNZ LYS 17 12.975 -10.296 -5.800 138 H CYS 18 HN CYS 18 9.795 -5.250 -3.945 139 HA CYS 18 HA CYS 18 9.724 -2.470 -5.063 140 1HB CYS 18 2HB CYS 18 7.539 -3.123 -4.085 141 2HB CYS 18 3HB CYS 18 8.403 -3.273 -2.554 142 HG CYS 18 HSG CYS 18 8.304 -0.717 -4.703 143 H ASP 19 HN ASP 19 11.428 -1.272 -4.443 144 HA ASP 19 HA ASP 19 13.355 -2.335 -2.544 145 1HB ASP 19 2HB ASP 19 13.303 0.372 -3.894 146 2HB ASP 19 3HB ASP 19 14.619 -0.359 -2.961 147 H ASP 20 HN ASP 20 13.762 -1.691 -0.696 148 HA ASP 20 HA ASP 20 11.908 -0.813 1.250 149 1HB ASP 20 2HB ASP 20 14.185 -0.671 2.617 150 2HB ASP 20 3HB ASP 20 13.528 -2.204 2.082 151 H ASP 21 HN ASP 21 14.054 0.864 -0.820 152 HA ASP 21 HA ASP 21 13.817 3.423 0.670 153 1HB ASP 21 2HB ASP 21 15.622 2.478 -1.603 154 2HB ASP 21 3HB ASP 21 15.614 4.099 -0.923 155 H VAL 22 HN VAL 22 11.809 1.891 -1.473 156 HA VAL 22 HA VAL 22 11.158 4.456 -2.815 157 HB VAL 22 HB VAL 22 12.497 2.724 -4.273 158 1HG1 VAL 22 2HG1 VAL 22 11.004 0.765 -3.794 159 2HG1 VAL 22 3HG1 VAL 22 9.697 1.588 -4.657 160 3HG1 VAL 22 1HG1 VAL 22 11.202 1.187 -5.498 161 1HG2 VAL 22 3HG2 VAL 22 11.399 4.821 -5.081 162 2HG2 VAL 22 1HG2 VAL 22 11.318 3.490 -6.251 163 3HG2 VAL 22 2HG2 VAL 22 9.888 3.904 -5.293 164 H TYR 23 HN TYR 23 8.942 4.572 -3.582 165 HA TYR 23 HA TYR 23 7.222 3.523 -1.517 166 1HB TYR 23 2HB TYR 23 6.551 5.131 -3.990 167 2HB TYR 23 3HB TYR 23 5.457 4.808 -2.648 168 HD1 TYR 23 HD2 TYR 23 6.777 5.354 -0.206 169 HD2 TYR 23 HD1 TYR 23 7.277 7.366 -3.992 170 HE1 TYR 23 HE2 TYR 23 7.144 7.493 0.970 171 HE2 TYR 23 HE1 TYR 23 7.858 9.455 -2.789 172 HH TYR 23 HOH TYR 23 7.367 9.860 0.666 173 H VAL 24 HN VAL 24 5.537 2.047 -1.734 174 HA VAL 24 HA VAL 24 5.792 -0.047 -3.584 175 HB VAL 24 HB VAL 24 3.088 0.673 -2.400 176 1HG1 VAL 24 1HG1 VAL 24 3.318 -1.312 -3.934 177 2HG1 VAL 24 2HG1 VAL 24 4.533 -1.967 -2.794 178 3HG1 VAL 24 3HG1 VAL 24 2.847 -1.746 -2.282 179 1HG2 VAL 24 1HG2 VAL 24 5.557 -0.347 -0.936 180 2HG2 VAL 24 2HG2 VAL 24 4.361 0.873 -0.464 181 3HG2 VAL 24 3HG2 VAL 24 3.914 -0.818 -0.436 182 H LEU 25 HN LEU 25 3.477 2.692 -3.757 183 HA LEU 25 HA LEU 25 2.638 1.973 -6.462 184 1HB LEU 25 2HB LEU 25 1.031 2.611 -4.981 185 2HB LEU 25 3HB LEU 25 1.852 4.089 -4.451 186 HG LEU 25 HG LEU 25 1.105 3.996 -7.323 187 1HD1 LEU 25 2HD1 LEU 25 -0.790 2.705 -6.198 188 2HD1 LEU 25 3HD1 LEU 25 -1.169 4.190 -5.321 189 3HD1 LEU 25 1HD1 LEU 25 -1.243 4.139 -7.097 190 1HD2 LEU 25 3HD2 LEU 25 0.441 5.927 -5.018 191 2HD2 LEU 25 1HD2 LEU 25 1.809 6.133 -6.114 192 3HD2 LEU 25 2HD2 LEU 25 0.148 6.262 -6.717 193 H ASP 26 HN ASP 26 5.296 2.234 -6.526 194 HA ASP 26 HA ASP 26 5.565 4.355 -8.559 195 1HB ASP 26 2HB ASP 26 6.587 5.086 -6.359 196 2HB ASP 26 3HB ASP 26 7.696 3.743 -6.452 197 H GLN 27 HN GLN 27 7.609 1.831 -7.011 198 HA GLN 27 HA GLN 27 8.535 0.902 -9.478 199 1HB GLN 27 2HB GLN 27 9.807 0.757 -7.438 200 2HB GLN 27 3HB GLN 27 8.631 -0.351 -6.702 201 1HG GLN 27 2HG GLN 27 9.189 -2.058 -8.291 202 2HG GLN 27 3HG GLN 27 10.201 -0.928 -9.219 203 1HE2 GLN 27 2HNE GLN 27 12.678 -2.793 -7.281 204 2HE2 GLN 27 1HNE GLN 27 11.623 -2.960 -8.705 205 H ALA 28 HN ALA 28 5.479 0.356 -8.005 206 HA ALA 28 HA ALA 28 4.981 -2.302 -9.107 207 1HB ALA 28 2HB ALA 28 3.842 -1.284 -7.118 208 2HB ALA 28 3HB ALA 28 3.035 -0.154 -8.244 209 3HB ALA 28 1HB ALA 28 2.774 -1.903 -8.357 210 H GLU 29 HN GLU 29 3.871 1.008 -10.048 211 HA GLU 29 HA GLU 29 2.424 0.152 -12.324 212 1HB GLU 29 2HB GLU 29 3.725 2.812 -11.616 213 2HB GLU 29 3HB GLU 29 3.023 2.518 -13.208 214 1HG GLU 29 2HG GLU 29 0.878 1.792 -12.097 215 2HG GLU 29 3HG GLU 29 1.523 2.424 -10.576 216 H GLU 30 HN GLU 30 5.927 0.938 -11.990 217 HA GLU 30 HA GLU 30 6.414 0.622 -14.761 218 1HB GLU 30 2HB GLU 30 8.696 0.693 -14.375 219 2HB GLU 30 3HB GLU 30 7.928 1.761 -13.206 220 1HG GLU 30 2HG GLU 30 9.191 0.728 -11.665 221 2HG GLU 30 3HG GLU 30 8.019 -0.594 -11.796 222 H GLU 31 HN GLU 31 5.894 -1.914 -12.430 223 HA GLU 31 HA GLU 31 6.847 -3.953 -14.311 224 1HB GLU 31 2HB GLU 31 5.044 -4.338 -11.901 225 2HB GLU 31 3HB GLU 31 6.071 -5.526 -12.713 226 1HG GLU 31 2HG GLU 31 7.714 -3.270 -11.955 227 2HG GLU 31 3HG GLU 31 6.689 -3.651 -10.600 228 H GLY 32 HN GLY 32 3.952 -2.176 -13.592 229 1HA GLY 32 2HA GLY 32 2.365 -1.945 -15.458 230 2HA GLY 32 3HA GLY 32 2.356 -3.704 -15.638 231 H ILE 33 HN ILE 33 2.541 -2.648 -12.310 232 HA ILE 33 HA ILE 33 -0.075 -3.791 -11.793 233 HB ILE 33 HB ILE 33 1.863 -2.198 -10.169 234 1HG1 ILE 33 2HG1 ILE 33 1.282 -5.163 -10.386 235 2HG1 ILE 33 3HG1 ILE 33 2.753 -4.358 -10.975 236 1HG2 ILE 33 3HG2 ILE 33 -0.767 -2.512 -9.354 237 2HG2 ILE 33 1HG2 ILE 33 -0.031 -3.964 -8.730 238 3HG2 ILE 33 2HG2 ILE 33 0.604 -2.400 -8.257 239 1HD1 ILE 33 HD1 ILE 33 2.236 -4.100 -8.049 240 2HD1 ILE 33 HD2 ILE 33 2.735 -5.661 -8.696 241 3HD1 ILE 33 HD3 ILE 33 3.722 -4.202 -8.994 242 H ASP 34 HN ASP 34 -1.971 -2.784 -11.965 243 HA ASP 34 HA ASP 34 -2.195 0.182 -11.907 244 1HB ASP 34 2HB ASP 34 -3.334 -1.139 -13.644 245 2HB ASP 34 3HB ASP 34 -4.280 -1.985 -12.397 246 H ILE 35 HN ILE 35 -2.301 1.055 -9.844 247 HA ILE 35 HA ILE 35 -4.161 -0.190 -7.975 248 HB ILE 35 HB ILE 35 -2.337 0.883 -6.239 249 1HG1 ILE 35 2HG1 ILE 35 -0.598 -0.353 -8.415 250 2HG1 ILE 35 3HG1 ILE 35 -0.654 1.355 -7.986 251 1HG2 ILE 35 1HG2 ILE 35 -3.479 -1.336 -6.174 252 2HG2 ILE 35 2HG2 ILE 35 -2.245 -1.959 -7.295 253 3HG2 ILE 35 3HG2 ILE 35 -1.796 -1.375 -5.670 254 1HD1 ILE 35 HD3 ILE 35 0.006 0.620 -5.591 255 2HD1 ILE 35 HD1 ILE 35 0.274 -0.984 -6.273 256 3HD1 ILE 35 HD2 ILE 35 1.229 0.362 -6.856 257 HA PRO 36 HA PRO 36 -6.056 3.532 -7.859 258 1HB PRO 36 2HB PRO 36 -6.329 4.056 -5.020 259 2HB PRO 36 3HB PRO 36 -7.510 3.385 -6.158 260 1HG PRO 36 2HG PRO 36 -6.056 1.955 -4.115 261 2HG PRO 36 3HG PRO 36 -7.198 1.305 -5.318 262 1HD PRO 36 2HD PRO 36 -4.294 1.108 -5.261 263 2HD PRO 36 3HD PRO 36 -5.457 0.317 -6.342 264 H TYR 37 HN TYR 37 -4.573 5.008 -8.718 265 HA TYR 37 HA TYR 37 -2.372 5.988 -7.209 266 1HB TYR 37 2HB TYR 37 -3.013 5.893 -9.885 267 2HB TYR 37 3HB TYR 37 -3.157 7.613 -9.555 268 HD1 TYR 37 HD1 TYR 37 -0.904 4.680 -9.678 269 HD2 TYR 37 HD2 TYR 37 -1.130 8.915 -8.918 270 HE1 TYR 37 HE1 TYR 37 1.565 4.785 -9.496 271 HE2 TYR 37 HE2 TYR 37 1.349 9.012 -8.785 272 HH TYR 37 HOH TYR 37 3.229 6.062 -8.391 273 H SER 38 HN SER 38 -5.388 7.511 -8.110 274 HA SER 38 HA SER 38 -6.368 9.458 -7.687 275 1HB SER 38 2HB SER 38 -6.451 7.605 -5.411 276 2HB SER 38 3HB SER 38 -7.022 9.242 -5.047 277 HG SER 38 HOG SER 38 -8.696 8.023 -5.873 278 H CYS 39 HN CYS 39 -3.269 9.786 -6.420 279 HA CYS 39 HA CYS 39 -3.378 12.592 -6.485 280 1HB CYS 39 2HB CYS 39 -2.884 13.128 -4.258 281 2HB CYS 39 3HB CYS 39 -4.362 12.191 -4.212 282 H ARG 40 HN ARG 40 -0.974 12.639 -4.754 283 HA ARG 40 HA ARG 40 0.318 10.311 -4.642 284 1HB ARG 40 2HB ARG 40 0.957 10.425 -7.025 285 2HB ARG 40 3HB ARG 40 1.779 11.955 -6.761 286 1HG ARG 40 2HG ARG 40 2.616 9.866 -4.838 287 2HG ARG 40 3HG ARG 40 2.755 9.261 -6.472 288 1HD ARG 40 2HD ARG 40 3.851 12.018 -5.943 289 2HD ARG 40 3HD ARG 40 4.682 10.655 -5.179 290 HE ARG 40 HNE ARG 40 4.342 9.860 -7.814 291 1HH1 ARG 40 2HN2 ARG 40 5.874 12.555 -6.167 292 2HH1 ARG 40 1HN2 ARG 40 7.240 12.679 -7.235 293 1HH2 ARG 40 2HN1 ARG 40 6.186 9.898 -9.219 294 2HH2 ARG 40 1HN1 ARG 40 7.410 11.112 -9.037 295 H ALA 41 HN ALA 41 -0.068 11.477 -2.637 296 HA ALA 41 HA ALA 41 2.115 12.338 -1.224 297 1HB ALA 41 2HB ALA 41 0.646 14.717 -2.442 298 2HB ALA 41 3HB ALA 41 1.600 14.819 -0.949 299 3HB ALA 41 1HB ALA 41 2.399 14.395 -2.458 300 H GLY 42 HN GLY 42 1.243 11.408 0.512 301 1HA GLY 42 2HA GLY 42 -1.007 10.856 1.747 302 2HA GLY 42 3HA GLY 42 0.318 11.649 2.558 303 H SER 43 HN SER 43 -2.716 12.449 0.873 304 HA SER 43 HA SER 43 -3.314 14.583 2.799 305 1HB SER 43 2HB SER 43 -1.649 15.630 1.229 306 2HB SER 43 3HB SER 43 -2.716 15.251 -0.128 307 HG SER 43 HOG SER 43 -3.369 16.882 2.115 308 H CYS 44 HN CYS 44 -4.053 13.419 -0.527 309 HA CYS 44 HA CYS 44 -6.646 14.180 -0.785 310 1HB CYS 44 2HB CYS 44 -6.621 12.930 -2.609 311 2HB CYS 44 3HB CYS 44 -4.923 12.701 -2.218 312 H SER 45 HN SER 45 -5.506 11.266 0.771 313 HA SER 45 HA SER 45 -6.253 10.026 2.447 314 1HB SER 45 2HB SER 45 -8.689 11.850 2.673 315 2HB SER 45 3HB SER 45 -8.207 10.614 3.811 316 HG SER 45 HOG SER 45 -6.616 12.869 3.056 317 H SER 46 HN SER 46 -6.346 8.784 0.245 318 HA SER 46 HA SER 46 -8.839 7.255 0.419 319 1HB SER 46 2HB SER 46 -9.493 7.345 -1.781 320 2HB SER 46 3HB SER 46 -9.112 9.023 -1.430 321 HG SER 46 HOG SER 46 -7.165 8.720 -2.578 322 H CYS 47 HN CYS 47 -7.624 6.120 -2.258 323 HA CYS 47 HA CYS 47 -7.057 4.007 -2.697 324 1HB CYS 47 2HB CYS 47 -4.727 3.566 -2.634 325 2HB CYS 47 3HB CYS 47 -5.081 5.184 -3.197 326 H ALA 48 HN ALA 48 -5.486 4.333 0.410 327 HA ALA 48 HA ALA 48 -4.823 2.849 1.943 328 1HB ALA 48 2HB ALA 48 -7.117 3.567 2.537 329 2HB ALA 48 3HB ALA 48 -7.735 2.040 1.891 330 3HB ALA 48 1HB ALA 48 -6.636 2.026 3.286 331 H GLY 49 HN GLY 49 -4.931 0.529 2.868 332 1HA GLY 49 2HA GLY 49 -5.862 -1.534 1.136 333 2HA GLY 49 3HA GLY 49 -4.094 -1.490 1.198 334 H LYS 50 HN LYS 50 -5.553 -3.699 2.218 335 HA LYS 50 HA LYS 50 -5.455 -3.425 5.121 336 1HB LYS 50 2HB LYS 50 -7.300 -4.481 3.566 337 2HB LYS 50 3HB LYS 50 -6.317 -5.932 3.673 338 1HG LYS 50 2HG LYS 50 -6.696 -6.199 5.976 339 2HG LYS 50 3HG LYS 50 -6.957 -4.468 6.225 340 1HD LYS 50 2HD LYS 50 -9.022 -4.684 4.750 341 2HD LYS 50 3HD LYS 50 -8.912 -6.432 5.023 342 1HE LYS 50 2HE LYS 50 -9.027 -6.098 7.474 343 2HE LYS 50 3HE LYS 50 -8.906 -4.363 7.304 344 1HZ LYS 50 1HNZ LYS 50 -11.205 -5.818 6.191 345 2HZ LYS 50 2HNZ LYS 50 -11.177 -5.104 7.677 346 3HZ LYS 50 3HNZ LYS 50 -11.012 -4.185 6.341 347 H VAL 51 HN VAL 51 -3.545 -3.916 6.113 348 HA VAL 51 HA VAL 51 -1.366 -5.346 4.858 349 HB VAL 51 HB VAL 51 -1.972 -4.631 7.787 350 1HG1 VAL 51 3HG1 VAL 51 0.652 -5.528 6.527 351 2HG1 VAL 51 1HG1 VAL 51 0.448 -4.899 8.180 352 3HG1 VAL 51 2HG1 VAL 51 -0.315 -6.424 7.725 353 1HG2 VAL 51 1HG2 VAL 51 -0.210 -3.179 5.780 354 2HG2 VAL 51 2HG2 VAL 51 -1.780 -2.624 6.415 355 3HG2 VAL 51 3HG2 VAL 51 -0.394 -2.739 7.490 356 H VAL 52 HN VAL 52 -1.603 -7.493 4.375 357 HA VAL 52 HA VAL 52 -3.250 -9.261 6.098 358 HB VAL 52 HB VAL 52 -1.619 -9.680 3.594 359 1HG1 VAL 52 3HG1 VAL 52 -3.249 -11.729 5.149 360 2HG1 VAL 52 1HG1 VAL 52 -2.650 -11.960 3.493 361 3HG1 VAL 52 2HG1 VAL 52 -1.502 -11.790 4.820 362 1HG2 VAL 52 2HG2 VAL 52 -4.612 -9.664 4.142 363 2HG2 VAL 52 3HG2 VAL 52 -3.656 -8.476 3.223 364 3HG2 VAL 52 1HG2 VAL 52 -3.872 -10.121 2.599 365 H SER 53 HN SER 53 0.220 -8.794 5.155 366 HA SER 53 HA SER 53 1.073 -9.774 7.736 367 1HB SER 53 2HB SER 53 0.509 -11.925 6.425 368 2HB SER 53 3HB SER 53 1.863 -11.507 5.359 369 HG SER 53 HOG SER 53 1.875 -12.118 8.128 370 H GLY 54 HN GLY 54 3.547 -10.143 7.596 371 1HA GLY 54 2HA GLY 54 5.551 -8.980 7.521 372 2HA GLY 54 3HA GLY 54 5.103 -8.319 5.957 373 H SER 55 HN SER 55 6.135 -6.300 6.875 374 HA SER 55 HA SER 55 4.119 -4.585 8.119 375 1HB SER 55 2HB SER 55 7.000 -4.449 9.076 376 2HB SER 55 3HB SER 55 5.544 -3.747 9.799 377 HG SER 55 HOG SER 55 6.204 -6.508 9.676 378 H ILE 56 HN ILE 56 4.714 -2.267 7.586 379 HA ILE 56 HA ILE 56 6.944 -1.793 5.797 380 HB ILE 56 HB ILE 56 5.492 -0.651 4.169 381 1HG1 ILE 56 2HG1 ILE 56 3.135 -1.969 5.528 382 2HG1 ILE 56 3HG1 ILE 56 3.512 -0.247 5.624 383 1HG2 ILE 56 1HG2 ILE 56 6.207 -3.169 4.038 384 2HG2 ILE 56 2HG2 ILE 56 4.538 -3.494 4.425 385 3HG2 ILE 56 3HG2 ILE 56 4.951 -2.629 2.924 386 1HD1 ILE 56 HD1 ILE 56 3.447 -1.123 2.807 387 2HD1 ILE 56 HD2 ILE 56 1.938 -1.463 3.661 388 3HD1 ILE 56 HD3 ILE 56 2.609 0.179 3.629 389 H ASP 57 HN ASP 57 7.038 0.658 5.436 390 HA ASP 57 HA ASP 57 6.120 2.058 7.926 391 1HB ASP 57 2HB ASP 57 8.573 1.774 7.799 392 2HB ASP 57 3HB ASP 57 8.589 2.580 6.220 393 H GLN 58 HN GLN 58 4.329 3.118 7.368 394 HA GLN 58 HA GLN 58 4.282 4.731 4.850 395 1HB GLN 58 2HB GLN 58 1.835 4.930 5.410 396 2HB GLN 58 3HB GLN 58 2.378 3.309 4.947 397 1HG GLN 58 2HG GLN 58 2.337 2.557 7.199 398 2HG GLN 58 3HG GLN 58 2.238 4.194 7.850 399 1HE2 GLN 58 2HNE GLN 58 -1.057 2.455 7.988 400 2HE2 GLN 58 1HNE GLN 58 0.564 2.130 8.557 401 H SER 59 HN SER 59 5.815 5.401 7.469 402 HA SER 59 HA SER 59 4.295 7.518 8.695 403 1HB SER 59 2HB SER 59 6.052 6.151 9.830 404 2HB SER 59 3HB SER 59 7.277 6.914 8.804 405 HG SER 59 HOG SER 59 6.584 8.929 9.645 406 H ASP 60 HN ASP 60 4.256 8.038 5.945 407 HA ASP 60 HA ASP 60 5.734 10.615 5.721 408 1HB ASP 60 2HB ASP 60 6.741 8.699 4.362 409 2HB ASP 60 3HB ASP 60 5.213 8.619 3.476 410 H GLN 61 HN GLN 61 2.744 9.296 6.261 411 HA GLN 61 HA GLN 61 1.350 10.902 4.240 412 1HB GLN 61 2HB GLN 61 -0.093 9.219 3.988 413 2HB GLN 61 3HB GLN 61 1.306 8.278 4.517 414 1HG GLN 61 2HG GLN 61 -1.207 8.932 6.082 415 2HG GLN 61 3HG GLN 61 -0.623 7.379 5.507 416 1HE2 GLN 61 2HNE GLN 61 0.133 7.053 8.972 417 2HE2 GLN 61 1HNE GLN 61 -1.210 6.884 7.854 418 H SER 62 HN SER 62 -1.051 11.168 5.089 419 HA SER 62 HA SER 62 -1.381 11.698 7.919 420 1HB SER 62 2HB SER 62 -1.355 14.000 5.919 421 2HB SER 62 3HB SER 62 -2.209 14.072 7.470 422 HG SER 62 HOG SER 62 0.468 13.238 7.495 423 H PHE 63 HN PHE 63 -2.754 9.882 7.361 424 HA PHE 63 HA PHE 63 -5.408 10.815 6.797 425 1HB PHE 63 2HB PHE 63 -4.969 10.430 4.517 426 2HB PHE 63 3HB PHE 63 -4.128 8.909 4.838 427 HD1 PHE 63 HD2 PHE 63 -7.409 9.680 6.516 428 HD2 PHE 63 HD1 PHE 63 -5.455 7.742 3.159 429 HE1 PHE 63 HE2 PHE 63 -9.425 8.383 6.070 430 HE2 PHE 63 HE1 PHE 63 -7.531 6.546 2.683 431 HZ PHE 63 HZ PHE 63 -9.567 6.954 4.037 432 H LEU 64 HN LEU 64 -4.100 7.419 6.553 433 HA LEU 64 HA LEU 64 -6.196 6.460 7.950 434 1HB LEU 64 2HB LEU 64 -3.421 5.288 7.729 435 2HB LEU 64 3HB LEU 64 -4.645 4.539 8.723 436 HG LEU 64 HG LEU 64 -6.213 4.500 6.736 437 1HD1 LEU 64 2HD1 LEU 64 -3.597 5.096 5.286 438 2HD1 LEU 64 3HD1 LEU 64 -5.054 4.452 4.500 439 3HD1 LEU 64 1HD1 LEU 64 -5.083 6.064 5.230 440 1HD2 LEU 64 1HD2 LEU 64 -3.611 2.957 6.765 441 2HD2 LEU 64 2HD2 LEU 64 -5.098 2.573 7.659 442 3HD2 LEU 64 3HD2 LEU 64 -5.081 2.460 5.882 443 H ASP 65 HN ASP 65 -6.792 6.043 9.987 444 HA ASP 65 HA ASP 65 -5.390 7.480 12.146 445 1HB ASP 65 2HB ASP 65 -8.001 5.935 12.091 446 2HB ASP 65 3HB ASP 65 -7.358 6.768 13.513 447 H ASP 66 HN ASP 66 -5.145 6.375 14.256 448 HA ASP 66 HA ASP 66 -3.313 4.224 14.138 449 1HB ASP 66 2HB ASP 66 -5.048 5.305 16.414 450 2HB ASP 66 3HB ASP 66 -3.788 4.079 16.619 451 H GLU 67 HN GLU 67 -6.800 4.388 14.789 452 HA GLU 67 HA GLU 67 -7.331 1.765 15.482 453 1HB GLU 67 2HB GLU 67 -9.304 3.143 13.637 454 2HB GLU 67 3HB GLU 67 -9.538 2.288 15.155 455 1HG GLU 67 2HG GLU 67 -8.389 4.325 16.244 456 2HG GLU 67 3HG GLU 67 -8.669 5.131 14.682 457 H GLN 68 HN GLN 68 -7.671 3.172 12.190 458 HA GLN 68 HA GLN 68 -8.053 0.834 10.782 459 1HB GLN 68 2HB GLN 68 -6.659 3.392 9.954 460 2HB GLN 68 3HB GLN 68 -7.232 2.157 8.830 461 1HG GLN 68 2HG GLN 68 -9.504 2.407 9.447 462 2HG GLN 68 3HG GLN 68 -9.114 3.438 10.826 463 1HE2 GLN 68 2HNE GLN 68 -10.249 5.525 7.978 464 2HE2 GLN 68 1HNE GLN 68 -10.934 4.102 8.731 465 H MET 69 HN MET 69 -4.835 2.460 11.403 466 HA MET 69 HA MET 69 -3.255 0.540 10.111 467 1HB MET 69 2HB MET 69 -2.655 2.149 12.616 468 2HB MET 69 3HB MET 69 -1.485 1.221 11.671 469 1HG MET 69 2HG MET 69 -2.118 2.625 9.647 470 2HG MET 69 3HG MET 69 -3.118 3.561 10.694 471 1HE MET 69 HE2 MET 69 -1.823 5.637 9.706 472 2HE MET 69 HE3 MET 69 -2.321 5.791 11.412 473 3HE MET 69 HE1 MET 69 -0.722 6.371 10.909 474 H ASP 70 HN ASP 70 -4.144 0.553 13.591 475 HA ASP 70 HA ASP 70 -2.906 -1.876 14.330 476 1HB ASP 70 2HB ASP 70 -3.789 -0.116 15.893 477 2HB ASP 70 3HB ASP 70 -5.433 -0.574 15.449 478 H ALA 71 HN ALA 71 -6.112 -1.130 13.143 479 HA ALA 71 HA ALA 71 -7.371 -3.668 13.411 480 1HB ALA 71 1HB ALA 71 -7.869 -1.344 11.525 481 2HB ALA 71 2HB ALA 71 -9.008 -2.686 11.781 482 3HB ALA 71 3HB ALA 71 -8.612 -1.576 13.115 483 H GLY 72 HN GLY 72 -5.024 -2.519 11.081 484 1HA GLY 72 2HA GLY 72 -3.802 -4.311 10.004 485 2HA GLY 72 3HA GLY 72 -5.308 -5.080 9.547 486 H TYR 73 HN TYR 73 -4.946 -1.520 9.334 487 HA TYR 73 HA TYR 73 -4.960 -1.832 6.377 488 1HB TYR 73 2HB TYR 73 -6.098 0.348 8.077 489 2HB TYR 73 3HB TYR 73 -6.021 0.338 6.324 490 HD1 TYR 73 HD1 TYR 73 -7.063 -1.543 4.999 491 HD2 TYR 73 HD2 TYR 73 -7.984 -0.805 9.140 492 HE1 TYR 73 HE1 TYR 73 -9.319 -2.363 4.632 493 HE2 TYR 73 HE2 TYR 73 -10.275 -1.603 8.770 494 HH TYR 73 HOH TYR 73 -11.919 -1.736 6.462 495 H VAL 74 HN VAL 74 -4.049 0.021 5.143 496 HA VAL 74 HA VAL 74 -1.890 1.563 6.314 497 HB VAL 74 HB VAL 74 -0.876 -0.631 6.117 498 1HG1 VAL 74 2HG1 VAL 74 -1.545 -0.497 3.137 499 2HG1 VAL 74 3HG1 VAL 74 -0.483 -1.685 3.914 500 3HG1 VAL 74 1HG1 VAL 74 -2.206 -1.658 4.307 501 1HG2 VAL 74 2HG2 VAL 74 0.335 1.579 5.444 502 2HG2 VAL 74 3HG2 VAL 74 1.080 0.013 5.252 503 3HG2 VAL 74 1HG2 VAL 74 0.371 0.857 3.836 504 H LEU 75 HN LEU 75 -0.980 3.062 4.705 505 HA LEU 75 HA LEU 75 -2.897 3.920 2.679 506 1HB LEU 75 2HB LEU 75 -1.622 5.392 4.300 507 2HB LEU 75 3HB LEU 75 -0.153 4.957 3.457 508 HG LEU 75 HG LEU 75 -1.874 5.795 1.369 509 1HD1 LEU 75 1HD1 LEU 75 -3.473 6.593 3.069 510 2HD1 LEU 75 2HD1 LEU 75 -2.217 7.634 3.778 511 3HD1 LEU 75 3HD1 LEU 75 -2.790 7.932 2.131 512 1HD2 LEU 75 3HD2 LEU 75 0.295 7.194 2.953 513 2HD2 LEU 75 1HD2 LEU 75 0.457 6.287 1.458 514 3HD2 LEU 75 2HD2 LEU 75 -0.388 7.861 1.460 515 H THR 76 HN THR 76 -2.800 2.937 0.585 516 HA THR 76 HA THR 76 -0.239 1.826 -0.348 517 HB THR 76 HB THR 76 -2.859 1.899 -1.846 518 HG1 THR 76 HG1 THR 76 -3.568 0.445 -0.521 519 1HG2 THR 76 2HG2 THR 76 -0.710 1.097 -3.052 520 2HG2 THR 76 3HG2 THR 76 -0.616 -0.186 -1.839 521 3HG2 THR 76 1HG2 THR 76 -2.006 -0.088 -2.943 522 H CYS 77 HN CYS 77 0.072 4.505 0.034 523 HA CYS 77 HA CYS 77 0.644 5.365 -2.770 524 1HB CYS 77 2HB CYS 77 -0.544 7.047 -0.602 525 2HB CYS 77 3HB CYS 77 0.768 7.734 -1.563 526 H HIS 78 HN HIS 78 1.720 7.099 0.002 527 HA HIS 78 HA HIS 78 4.465 6.469 -0.647 528 1HB HIS 78 2HB HIS 78 3.095 8.400 1.254 529 2HB HIS 78 3HB HIS 78 4.837 8.171 1.224 530 HD1 HIS 78 HND HIS 78 5.334 10.554 0.473 531 HD2 HIS 78 HD HIS 78 3.145 8.207 -2.245 532 HE1 HIS 78 HE HIS 78 5.377 11.789 -1.793 533 H ALA 79 HN ALA 79 3.995 4.165 -0.051 534 HA ALA 79 HA ALA 79 4.688 3.659 2.837 535 1HB ALA 79 2HB ALA 79 3.018 2.101 0.850 536 2HB ALA 79 3HB ALA 79 3.826 1.328 2.230 537 3HB ALA 79 1HB ALA 79 2.619 2.611 2.498 538 H TYR 80 HN TYR 80 6.600 2.720 3.227 539 HA TYR 80 HA TYR 80 8.323 1.828 0.944 540 1HB TYR 80 2HB TYR 80 8.907 2.622 3.807 541 2HB TYR 80 3HB TYR 80 10.048 1.949 2.645 542 HD1 TYR 80 HD2 TYR 80 10.559 3.185 0.521 543 HD2 TYR 80 HD1 TYR 80 8.384 4.992 3.767 544 HE1 TYR 80 HE2 TYR 80 10.975 5.428 -0.449 545 HE2 TYR 80 HE1 TYR 80 8.914 7.237 2.876 546 HH TYR 80 HOH TYR 80 9.802 8.430 1.084 547 HA PRO 81 HA PRO 81 7.401 -2.189 2.696 548 1HB PRO 81 2HB PRO 81 8.919 -3.698 0.868 549 2HB PRO 81 3HB PRO 81 7.213 -3.200 0.717 550 1HG PRO 81 2HG PRO 81 9.576 -2.119 -0.721 551 2HG PRO 81 3HG PRO 81 7.822 -1.921 -1.035 552 1HD PRO 81 2HD PRO 81 9.532 0.010 0.096 553 2HD PRO 81 3HD PRO 81 7.775 0.065 -0.178 554 H THR 82 HN THR 82 8.429 -2.818 4.674 555 HA THR 82 HA THR 82 11.378 -2.569 4.764 556 HB THR 82 HB THR 82 11.024 -2.823 7.191 557 HG1 THR 82 HG1 THR 82 8.899 -2.700 7.942 558 1HG2 THR 82 3HG2 THR 82 11.108 -0.597 6.041 559 2HG2 THR 82 1HG2 THR 82 9.342 -0.631 5.878 560 3HG2 THR 82 2HG2 THR 82 10.077 -0.576 7.491 561 H SER 83 HN SER 83 9.108 -5.021 4.109 562 HA SER 83 HA SER 83 11.147 -6.972 3.904 563 1HB SER 83 2HB SER 83 9.101 -7.321 6.136 564 2HB SER 83 3HB SER 83 9.919 -8.701 5.391 565 HG SER 83 HOG SER 83 11.495 -6.588 6.320 566 H ASP 84 HN ASP 84 9.724 -9.210 3.392 567 HA ASP 84 HA ASP 84 8.034 -8.713 1.127 568 1HB ASP 84 2HB ASP 84 7.622 -11.136 1.370 569 2HB ASP 84 3HB ASP 84 9.323 -10.688 1.159 570 H VAL 85 HN VAL 85 6.423 -7.395 1.789 571 HA VAL 85 HA VAL 85 4.548 -8.259 3.908 572 HB VAL 85 HB VAL 85 5.312 -5.988 4.039 573 1HG1 VAL 85 2HG1 VAL 85 5.002 -5.980 1.162 574 2HG1 VAL 85 3HG1 VAL 85 4.174 -4.592 1.864 575 3HG1 VAL 85 1HG1 VAL 85 5.891 -4.884 2.214 576 1HG2 VAL 85 2HG2 VAL 85 2.372 -6.303 3.409 577 2HG2 VAL 85 3HG2 VAL 85 3.213 -6.011 4.948 578 3HG2 VAL 85 1HG2 VAL 85 3.014 -4.735 3.761 579 H VAL 86 HN VAL 86 2.385 -8.546 3.576 580 HA VAL 86 HA VAL 86 1.428 -8.822 0.763 581 HB VAL 86 HB VAL 86 0.533 -10.448 3.179 582 1HG1 VAL 86 1HG1 VAL 86 -1.284 -9.972 1.489 583 2HG1 VAL 86 2HG1 VAL 86 -0.267 -10.660 0.245 584 3HG1 VAL 86 3HG1 VAL 86 -0.848 -11.687 1.557 585 1HG2 VAL 86 3HG2 VAL 86 2.198 -11.236 0.738 586 2HG2 VAL 86 1HG2 VAL 86 2.720 -11.269 2.434 587 3HG2 VAL 86 2HG2 VAL 86 1.478 -12.396 1.874 588 H ILE 87 HN ILE 87 -0.059 -7.269 0.369 589 HA ILE 87 HA ILE 87 -1.797 -6.389 2.562 590 HB ILE 87 HB ILE 87 -0.225 -4.716 2.573 591 1HG1 ILE 87 2HG1 ILE 87 -2.648 -3.900 2.108 592 2HG1 ILE 87 3HG1 ILE 87 -1.302 -2.762 2.063 593 1HG2 ILE 87 2HG2 ILE 87 0.067 -4.828 -0.378 594 2HG2 ILE 87 3HG2 ILE 87 0.685 -3.505 0.636 595 3HG2 ILE 87 1HG2 ILE 87 1.278 -5.157 0.870 596 1HD1 ILE 87 HD2 ILE 87 -2.087 -4.164 -0.459 597 2HD1 ILE 87 HD3 ILE 87 -2.938 -2.719 0.062 598 3HD1 ILE 87 HD1 ILE 87 -1.197 -2.651 -0.226 599 H GLU 88 HN GLU 88 -3.877 -5.690 1.817 600 HA GLU 88 HA GLU 88 -4.573 -6.505 -0.975 601 1HB GLU 88 2HB GLU 88 -6.501 -5.752 1.182 602 2HB GLU 88 3HB GLU 88 -6.825 -6.727 -0.267 603 1HG GLU 88 2HG GLU 88 -5.575 -8.590 0.820 604 2HG GLU 88 3HG GLU 88 -5.272 -7.529 2.207 605 H THR 89 HN THR 89 -5.085 -4.943 -2.441 606 HA THR 89 HA THR 89 -4.900 -2.125 -1.425 607 HB THR 89 HB THR 89 -4.466 -1.475 -3.676 608 HG1 THR 89 HG1 THR 89 -5.350 -4.069 -4.284 609 1HG2 THR 89 1HG2 THR 89 -2.607 -2.245 -2.321 610 2HG2 THR 89 2HG2 THR 89 -2.840 -3.917 -2.865 611 3HG2 THR 89 3HG2 THR 89 -2.359 -2.661 -4.017 612 H HIS 90 HN HIS 90 -6.347 -0.517 -2.687 613 HA HIS 90 HA HIS 90 -8.360 0.287 -3.330 614 1HB HIS 90 2HB HIS 90 -9.219 -2.566 -3.994 615 2HB HIS 90 3HB HIS 90 -9.984 -1.070 -4.486 616 HD1 HIS 90 HND HIS 90 -6.173 -1.770 -4.957 617 HD2 HIS 90 HD HIS 90 -9.810 -1.605 -7.058 618 HE1 HIS 90 HE HIS 90 -5.586 -2.050 -7.381 619 H LYS 91 HN LYS 91 -8.137 0.439 -0.796 620 HA LYS 91 HA LYS 91 -10.536 -0.829 0.468 621 1HB LYS 91 2HB LYS 91 -7.842 -0.400 1.771 622 2HB LYS 91 3HB LYS 91 -9.265 -1.139 2.508 623 1HG LYS 91 2HG LYS 91 -7.772 -2.260 0.094 624 2HG LYS 91 3HG LYS 91 -7.624 -2.837 1.755 625 1HD LYS 91 2HD LYS 91 -9.789 -3.560 1.900 626 2HD LYS 91 3HD LYS 91 -10.265 -2.836 0.369 627 1HE LYS 91 2HE LYS 91 -9.487 -4.421 -0.954 628 2HE LYS 91 3HE LYS 91 -8.019 -4.645 -0.016 629 1HZ LYS 91 2HNZ LYS 91 -10.626 -5.714 0.876 630 2HZ LYS 91 3HNZ LYS 91 -9.550 -6.572 -0.038 631 3HZ LYS 91 1HNZ LYS 91 -9.121 -6.120 1.440 632 H GLU 92 HN GLU 92 -9.707 1.935 -0.722 633 HA GLU 92 HA GLU 92 -9.948 4.000 1.037 634 1HB GLU 92 2HB GLU 92 -9.834 4.231 -1.378 635 2HB GLU 92 3HB GLU 92 -11.404 3.460 -1.605 636 1HG GLU 92 2HG GLU 92 -12.515 5.365 -0.461 637 2HG GLU 92 3HG GLU 92 -10.939 6.144 -0.251 638 H GLU 93 HN GLU 93 -12.914 2.554 -0.418 639 HA GLU 93 HA GLU 93 -14.494 3.568 1.754 640 1HB GLU 93 2HB GLU 93 -16.367 2.764 0.353 641 2HB GLU 93 3HB GLU 93 -15.160 3.607 -0.621 642 1HG GLU 93 2HG GLU 93 -14.263 0.968 -0.798 643 2HG GLU 93 3HG GLU 93 -16.006 0.764 -0.692 644 H GLU 94 HN GLU 94 -12.626 1.662 2.654 645 HA GLU 94 HA GLU 94 -14.330 -0.426 3.928 646 1HB GLU 94 2HB GLU 94 -11.688 -0.785 2.493 647 2HB GLU 94 3HB GLU 94 -12.135 -1.842 3.815 648 1HG GLU 94 2HG GLU 94 -14.257 -1.545 1.748 649 2HG GLU 94 3HG GLU 94 -12.755 -2.268 1.167 650 H ILE 95 HN ILE 95 -11.370 1.681 4.038 651 HA ILE 95 HA ILE 95 -11.150 1.263 6.892 652 HB ILE 95 HB ILE 95 -9.421 2.924 6.798 653 1HG1 ILE 95 2HG1 ILE 95 -9.911 3.158 3.809 654 2HG1 ILE 95 3HG1 ILE 95 -10.482 4.349 4.998 655 1HG2 ILE 95 1HG2 ILE 95 -9.062 0.612 6.288 656 2HG2 ILE 95 2HG2 ILE 95 -9.187 0.879 4.541 657 3HG2 ILE 95 3HG2 ILE 95 -7.859 1.603 5.476 658 1HD1 ILE 95 HD3 ILE 95 -7.566 3.641 4.824 659 2HD1 ILE 95 HD1 ILE 95 -8.398 4.855 3.844 660 3HD1 ILE 95 HD2 ILE 95 -8.369 5.012 5.625 661 H VAL 96 HN VAL 96 -12.703 3.732 4.838 662 HA VAL 96 HA VAL 96 -13.299 5.360 7.225 663 HB VAL 96 HB VAL 96 -14.291 6.935 5.752 664 1HG1 VAL 96 1HG1 VAL 96 -11.744 6.804 5.945 665 2HG1 VAL 96 2HG1 VAL 96 -11.763 6.022 4.345 666 3HG1 VAL 96 3HG1 VAL 96 -12.376 7.666 4.531 667 1HG2 VAL 96 3HG2 VAL 96 -13.868 4.939 3.499 668 2HG2 VAL 96 1HG2 VAL 96 -15.426 5.507 4.124 669 3HG2 VAL 96 2HG2 VAL 96 -14.345 6.632 3.285 No H/Q in entry = 668 Start of MODEL 7 1 1H ALA 1 1HN ALA 1 15.654 -5.752 1.548 2 2H ALA 1 2HN ALA 1 16.167 -4.259 2.005 3 2H ALA 1 3HN ALA 1 16.167 -4.259 2.005 4 HA ALA 1 HA ALA 1 16.223 -3.619 -0.056 5 1HB ALA 1 2HB ALA 1 18.564 -4.138 0.188 6 2HB ALA 1 3HB ALA 1 18.272 -5.786 -0.434 7 3HB ALA 1 1HB ALA 1 17.990 -4.368 -1.477 8 H THR 2 HN THR 2 14.661 -3.724 -1.472 9 HA THR 2 HA THR 2 13.262 -4.460 -3.038 10 HB THR 2 HB THR 2 15.684 -6.144 -3.772 11 HG1 THR 2 HG1 THR 2 16.171 -3.946 -3.260 12 1HG2 THR 2 3HG2 THR 2 13.404 -4.929 -5.394 13 2HG2 THR 2 1HG2 THR 2 14.974 -5.332 -6.112 14 3HG2 THR 2 2HG2 THR 2 14.007 -6.613 -5.379 15 H TYR 3 HN TYR 3 11.767 -5.352 -1.585 16 HA TYR 3 HA TYR 3 11.867 -8.284 -1.121 17 1HB TYR 3 2HB TYR 3 9.969 -6.198 0.003 18 2HB TYR 3 3HB TYR 3 10.152 -7.865 0.544 19 HD1 TYR 3 HD1 TYR 3 12.726 -8.535 1.150 20 HD2 TYR 3 HD2 TYR 3 11.029 -4.574 1.282 21 HE1 TYR 3 HE1 TYR 3 14.540 -7.795 2.664 22 HE2 TYR 3 HE2 TYR 3 12.645 -3.963 3.032 23 HH TYR 3 HOH TYR 3 14.499 -4.671 4.292 24 H ASN 4 HN ASN 4 9.784 -9.427 -1.157 25 HA ASN 4 HA ASN 4 8.425 -9.068 -3.750 26 1HB ASN 4 2HB ASN 4 9.398 -11.217 -2.963 27 2HB ASN 4 3HB ASN 4 8.316 -11.240 -1.599 28 1HD2 ASN 4 2HND ASN 4 5.424 -12.192 -3.384 29 2HD2 ASN 4 1HND ASN 4 6.012 -11.123 -2.105 30 H VAL 5 HN VAL 5 7.015 -7.276 -3.347 31 HA VAL 5 HA VAL 5 5.311 -7.413 -0.918 32 HB VAL 5 HB VAL 5 5.439 -5.310 -3.074 33 1HG1 VAL 5 3HG1 VAL 5 3.728 -5.731 -0.628 34 2HG1 VAL 5 1HG1 VAL 5 4.315 -4.091 -0.906 35 3HG1 VAL 5 2HG1 VAL 5 3.358 -4.918 -2.147 36 1HG2 VAL 5 3HG2 VAL 5 6.675 -5.440 -0.275 37 2HG2 VAL 5 1HG2 VAL 5 7.542 -5.371 -1.816 38 3HG2 VAL 5 2HG2 VAL 5 6.583 -3.979 -1.278 39 H LYS 6 HN LYS 6 3.384 -8.449 -1.041 40 HA LYS 6 HA LYS 6 2.219 -8.943 -3.728 41 1HB LYS 6 2HB LYS 6 2.507 -10.838 -2.180 42 2HB LYS 6 3HB LYS 6 1.393 -10.050 -1.061 43 1HG LYS 6 2HG LYS 6 -0.326 -10.000 -3.019 44 2HG LYS 6 3HG LYS 6 0.817 -10.996 -3.919 45 1HD LYS 6 2HD LYS 6 -0.772 -11.681 -1.438 46 2HD LYS 6 3HD LYS 6 -0.766 -12.388 -3.049 47 1HE LYS 6 2HE LYS 6 1.693 -13.044 -2.613 48 2HE LYS 6 3HE LYS 6 1.387 -12.667 -0.913 49 1HZ LYS 6 2HNZ LYS 6 -0.172 -14.577 -2.531 50 2HZ LYS 6 3HNZ LYS 6 1.024 -14.992 -1.464 51 3HZ LYS 6 1HNZ LYS 6 -0.373 -14.290 -0.926 52 H LEU 7 HN LEU 7 0.681 -7.824 -4.536 53 HA LEU 7 HA LEU 7 -1.043 -6.153 -2.789 54 1HB LEU 7 2HB LEU 7 -0.202 -5.857 -5.683 55 2HB LEU 7 3HB LEU 7 -1.390 -4.844 -4.907 56 HG LEU 7 HG LEU 7 1.592 -5.063 -4.501 57 1HD1 LEU 7 1HD1 LEU 7 -0.136 -3.195 -5.803 58 2HD1 LEU 7 2HD1 LEU 7 0.557 -2.361 -4.412 59 3HD1 LEU 7 3HD1 LEU 7 1.634 -3.084 -5.594 60 1HD2 LEU 7 3HD2 LEU 7 -0.332 -3.848 -2.512 61 2HD2 LEU 7 1HD2 LEU 7 0.952 -5.064 -2.256 62 3HD2 LEU 7 2HD2 LEU 7 1.384 -3.399 -2.588 63 H ILE 8 HN ILE 8 -2.625 -7.485 -2.163 64 HA ILE 8 HA ILE 8 -3.894 -9.274 -4.116 65 HB ILE 8 HB ILE 8 -4.467 -8.544 -1.268 66 1HG1 ILE 8 2HG1 ILE 8 -3.724 -11.261 -2.214 67 2HG1 ILE 8 3HG1 ILE 8 -2.480 -10.028 -1.911 68 1HG2 ILE 8 2HG2 ILE 8 -5.967 -10.449 -3.109 69 2HG2 ILE 8 3HG2 ILE 8 -6.163 -10.420 -1.348 70 3HG2 ILE 8 1HG2 ILE 8 -6.636 -9.017 -2.300 71 1HD1 ILE 8 HD1 ILE 8 -4.534 -10.950 0.134 72 2HD1 ILE 8 HD2 ILE 8 -2.846 -11.470 0.040 73 3HD1 ILE 8 HD3 ILE 8 -3.224 -9.766 0.376 74 H THR 9 HN THR 9 -4.338 -7.862 -5.783 75 HA THR 9 HA THR 9 -6.149 -5.633 -5.411 76 HB THR 9 HB THR 9 -5.845 -5.548 -7.886 77 HG1 THR 9 HG1 THR 9 -5.396 -7.822 -8.244 78 1HG2 THR 9 1HG2 THR 9 -3.373 -5.691 -6.108 79 2HG2 THR 9 2HG2 THR 9 -3.225 -5.386 -7.830 80 3HG2 THR 9 3HG2 THR 9 -4.155 -4.255 -6.828 81 HA PRO 10 HA PRO 10 -9.810 -7.950 -6.061 82 1HB PRO 10 2HB PRO 10 -11.103 -6.193 -7.875 83 2HB PRO 10 3HB PRO 10 -11.346 -6.353 -6.111 84 1HG PRO 10 2HG PRO 10 -10.061 -4.353 -7.687 85 2HG PRO 10 3HG PRO 10 -10.232 -4.329 -5.908 86 1HD PRO 10 2HD PRO 10 -7.910 -4.787 -7.494 87 2HD PRO 10 3HD PRO 10 -8.046 -4.777 -5.757 88 H ASP 11 HN ASP 11 -7.951 -7.060 -8.862 89 HA ASP 11 HA ASP 11 -9.170 -8.623 -10.921 90 1HB ASP 11 2HB ASP 11 -6.472 -7.335 -10.372 91 2HB ASP 11 3HB ASP 11 -6.581 -8.564 -11.618 92 H GLY 12 HN GLY 12 -7.167 -9.356 -8.160 93 1HA GLY 12 2HA GLY 12 -7.159 -11.522 -7.308 94 2HA GLY 12 3HA GLY 12 -6.986 -12.243 -8.927 95 H GLU 13 HN GLU 13 -5.409 -9.808 -6.854 96 HA GLU 13 HA GLU 13 -3.279 -9.464 -6.162 97 1HB GLU 13 2HB GLU 13 -2.923 -12.310 -6.982 98 2HB GLU 13 3HB GLU 13 -1.716 -11.376 -6.117 99 1HG GLU 13 2HG GLU 13 -2.879 -11.271 -4.177 100 2HG GLU 13 3HG GLU 13 -4.471 -11.549 -4.922 101 H VAL 14 HN VAL 14 -0.955 -9.377 -6.819 102 HA VAL 14 HA VAL 14 -0.463 -9.734 -9.697 103 HB VAL 14 HB VAL 14 -1.378 -7.559 -9.648 104 1HG1 VAL 14 1HG1 VAL 14 -1.065 -6.880 -7.394 105 2HG1 VAL 14 2HG1 VAL 14 0.686 -6.641 -7.670 106 3HG1 VAL 14 3HG1 VAL 14 -0.519 -5.650 -8.522 107 1HG2 VAL 14 2HG2 VAL 14 0.690 -8.124 -11.087 108 2HG2 VAL 14 3HG2 VAL 14 0.269 -6.420 -10.887 109 3HG2 VAL 14 1HG2 VAL 14 1.604 -7.121 -9.933 110 H GLU 15 HN GLU 15 1.034 -8.421 -6.774 111 HA GLU 15 HA GLU 15 2.944 -8.861 -5.693 112 1HB GLU 15 2HB GLU 15 2.247 -11.403 -6.731 113 2HB GLU 15 3HB GLU 15 3.943 -11.194 -7.179 114 1HG GLU 15 2HG GLU 15 4.640 -10.910 -4.947 115 2HG GLU 15 3HG GLU 15 2.987 -10.746 -4.373 116 H PHE 16 HN PHE 16 4.919 -7.926 -5.742 117 HA PHE 16 HA PHE 16 6.450 -7.855 -8.210 118 1HB PHE 16 2HB PHE 16 6.305 -5.709 -8.813 119 2HB PHE 16 3HB PHE 16 4.638 -6.176 -8.655 120 HD1 PHE 16 HD2 PHE 16 3.799 -5.773 -5.999 121 HD2 PHE 16 HD1 PHE 16 7.140 -3.804 -7.879 122 HE1 PHE 16 HE2 PHE 16 3.723 -4.022 -4.318 123 HE2 PHE 16 HE1 PHE 16 7.063 -2.076 -6.215 124 HZ PHE 16 HZ PHE 16 5.249 -2.033 -4.481 125 H LYS 17 HN LYS 17 8.388 -6.386 -8.010 126 HA LYS 17 HA LYS 17 9.462 -6.867 -5.327 127 1HB LYS 17 2HB LYS 17 10.521 -7.282 -7.912 128 2HB LYS 17 3HB LYS 17 11.399 -5.892 -7.266 129 1HG LYS 17 2HG LYS 17 12.542 -7.920 -6.637 130 2HG LYS 17 3HG LYS 17 11.846 -7.166 -5.183 131 1HD LYS 17 2HD LYS 17 10.807 -9.087 -4.667 132 2HD LYS 17 3HD LYS 17 9.806 -8.876 -6.096 133 1HE LYS 17 2HE LYS 17 10.766 -11.080 -6.159 134 2HE LYS 17 3HE LYS 17 11.476 -10.120 -7.466 135 1HZ LYS 17 1HNZ LYS 17 12.739 -10.629 -4.841 136 2HZ LYS 17 2HNZ LYS 17 13.116 -11.409 -6.241 137 3HZ LYS 17 3HNZ LYS 17 13.420 -9.801 -6.082 138 H CYS 18 HN CYS 18 9.802 -5.313 -3.912 139 HA CYS 18 HA CYS 18 9.782 -2.466 -4.866 140 1HB CYS 18 2HB CYS 18 7.580 -3.370 -3.928 141 2HB CYS 18 3HB CYS 18 8.433 -3.344 -2.379 142 HG CYS 18 HSG CYS 18 8.220 -0.920 -4.644 143 H ASP 19 HN ASP 19 11.632 -1.558 -4.450 144 HA ASP 19 HA ASP 19 13.648 -2.343 -2.721 145 1HB ASP 19 2HB ASP 19 13.075 0.527 -3.428 146 2HB ASP 19 3HB ASP 19 14.628 -0.259 -3.184 147 H ASP 20 HN ASP 20 14.331 -1.433 -0.602 148 HA ASP 20 HA ASP 20 12.046 -0.843 1.123 149 1HB ASP 20 2HB ASP 20 13.932 -0.884 2.891 150 2HB ASP 20 3HB ASP 20 13.394 -2.342 2.070 151 H ASP 21 HN ASP 21 14.032 0.931 -0.872 152 HA ASP 21 HA ASP 21 13.465 3.454 0.633 153 1HB ASP 21 2HB ASP 21 15.744 2.689 -1.227 154 2HB ASP 21 3HB ASP 21 15.360 4.364 -0.807 155 H VAL 22 HN VAL 22 11.493 1.992 -1.091 156 HA VAL 22 HA VAL 22 10.947 4.325 -2.778 157 HB VAL 22 HB VAL 22 12.249 2.462 -4.081 158 1HG1 VAL 22 1HG1 VAL 22 10.662 0.606 -3.333 159 2HG1 VAL 22 2HG1 VAL 22 9.420 1.344 -4.359 160 3HG1 VAL 22 3HG1 VAL 22 10.909 0.727 -5.081 161 1HG2 VAL 22 2HG2 VAL 22 11.226 4.461 -5.109 162 2HG2 VAL 22 3HG2 VAL 22 11.151 3.019 -6.138 163 3HG2 VAL 22 1HG2 VAL 22 9.702 3.560 -5.284 164 H TYR 23 HN TYR 23 8.713 4.272 -3.677 165 HA TYR 23 HA TYR 23 6.934 3.584 -1.519 166 1HB TYR 23 2HB TYR 23 6.376 4.898 -4.176 167 2HB TYR 23 3HB TYR 23 5.237 4.758 -2.849 168 HD1 TYR 23 HD1 TYR 23 6.137 5.649 -0.496 169 HD2 TYR 23 HD2 TYR 23 7.660 6.915 -4.324 170 HE1 TYR 23 HE1 TYR 23 6.671 7.845 0.447 171 HE2 TYR 23 HE2 TYR 23 8.301 9.097 -3.329 172 HH TYR 23 HOH TYR 23 7.434 9.972 0.048 173 H VAL 24 HN VAL 24 5.385 1.935 -1.483 174 HA VAL 24 HA VAL 24 5.472 -0.142 -3.368 175 HB VAL 24 HB VAL 24 2.970 0.289 -1.709 176 1HG1 VAL 24 3HG1 VAL 24 3.096 -1.780 -3.154 177 2HG1 VAL 24 1HG1 VAL 24 4.588 -2.221 -2.297 178 3HG1 VAL 24 2HG1 VAL 24 3.041 -2.131 -1.437 179 1HG2 VAL 24 2HG2 VAL 24 5.713 -0.490 -0.668 180 2HG2 VAL 24 3HG2 VAL 24 4.531 0.684 -0.036 181 3HG2 VAL 24 1HG2 VAL 24 4.213 -1.022 0.127 182 H LEU 25 HN LEU 25 4.061 2.859 -3.939 183 HA LEU 25 HA LEU 25 2.210 1.827 -6.040 184 1HB LEU 25 2HB LEU 25 1.055 3.380 -4.963 185 2HB LEU 25 3HB LEU 25 2.456 4.285 -4.431 186 HG LEU 25 HG LEU 25 1.629 4.413 -7.347 187 1HD1 LEU 25 1HD1 LEU 25 -0.395 4.897 -5.919 188 2HD1 LEU 25 2HD1 LEU 25 0.524 6.225 -5.177 189 3HD1 LEU 25 3HD1 LEU 25 0.164 6.251 -6.910 190 1HD2 LEU 25 2HD2 LEU 25 3.040 6.302 -5.379 191 2HD2 LEU 25 3HD2 LEU 25 3.754 5.564 -6.821 192 3HD2 LEU 25 1HD2 LEU 25 2.509 6.783 -6.996 193 H ASP 26 HN ASP 26 5.341 3.437 -5.580 194 HA ASP 26 HA ASP 26 5.499 4.604 -8.201 195 1HB ASP 26 2HB ASP 26 6.687 5.471 -6.297 196 2HB ASP 26 3HB ASP 26 7.570 3.966 -6.067 197 H GLN 27 HN GLN 27 7.534 2.056 -6.763 198 HA GLN 27 HA GLN 27 8.533 1.129 -9.210 199 1HB GLN 27 2HB GLN 27 9.588 0.881 -7.010 200 2HB GLN 27 3HB GLN 27 8.278 -0.176 -6.480 201 1HG GLN 27 2HG GLN 27 10.107 -1.547 -6.968 202 2HG GLN 27 3HG GLN 27 8.979 -1.785 -8.312 203 1HE2 GLN 27 2HNE GLN 27 12.751 -0.294 -8.929 204 2HE2 GLN 27 1HNE GLN 27 12.202 -0.698 -7.311 205 H ALA 28 HN ALA 28 5.688 0.273 -7.310 206 HA ALA 28 HA ALA 28 4.687 -2.004 -8.640 207 1HB ALA 28 1HB ALA 28 3.622 0.288 -7.107 208 2HB ALA 28 2HB ALA 28 2.432 -0.539 -8.065 209 3HB ALA 28 3HB ALA 28 3.374 -1.447 -6.857 210 H GLU 29 HN GLU 29 3.837 1.440 -9.427 211 HA GLU 29 HA GLU 29 2.514 0.761 -11.841 212 1HB GLU 29 2HB GLU 29 3.865 3.332 -10.923 213 2HB GLU 29 3HB GLU 29 3.111 3.164 -12.516 214 1HG GLU 29 2HG GLU 29 0.960 2.523 -11.459 215 2HG GLU 29 3HG GLU 29 1.669 2.800 -9.862 216 H GLU 30 HN GLU 30 5.999 1.488 -11.214 217 HA GLU 30 HA GLU 30 6.896 1.253 -13.874 218 1HB GLU 30 2HB GLU 30 8.382 0.396 -11.395 219 2HB GLU 30 3HB GLU 30 9.076 0.605 -12.982 220 1HG GLU 30 2HG GLU 30 7.584 2.962 -11.794 221 2HG GLU 30 3HG GLU 30 9.184 2.548 -11.183 222 H GLU 31 HN GLU 31 6.001 -1.415 -11.695 223 HA GLU 31 HA GLU 31 6.922 -3.379 -13.671 224 1HB GLU 31 2HB GLU 31 5.064 -3.885 -11.332 225 2HB GLU 31 3HB GLU 31 6.073 -5.028 -12.226 226 1HG GLU 31 2HG GLU 31 7.769 -2.885 -11.326 227 2HG GLU 31 3HG GLU 31 6.711 -3.250 -10.000 228 H GLY 32 HN GLY 32 3.992 -1.655 -12.938 229 1HA GLY 32 2HA GLY 32 2.444 -1.428 -14.881 230 2HA GLY 32 3HA GLY 32 2.439 -3.191 -15.015 231 H ILE 33 HN ILE 33 2.564 -2.216 -11.696 232 HA ILE 33 HA ILE 33 -0.129 -3.225 -11.272 233 HB ILE 33 HB ILE 33 1.856 -1.800 -9.552 234 1HG1 ILE 33 2HG1 ILE 33 1.052 -4.672 -9.901 235 2HG1 ILE 33 3HG1 ILE 33 2.637 -3.955 -10.205 236 1HG2 ILE 33 3HG2 ILE 33 -0.497 -1.394 -8.664 237 2HG2 ILE 33 1HG2 ILE 33 -0.658 -3.153 -8.508 238 3HG2 ILE 33 2HG2 ILE 33 0.582 -2.237 -7.605 239 1HD1 ILE 33 HD3 ILE 33 2.872 -3.529 -7.772 240 2HD1 ILE 33 HD1 ILE 33 1.327 -4.369 -7.489 241 3HD1 ILE 33 HD2 ILE 33 2.679 -5.255 -8.174 242 H ASP 34 HN ASP 34 -1.933 -2.161 -11.710 243 HA ASP 34 HA ASP 34 -2.088 0.790 -11.685 244 1HB ASP 34 2HB ASP 34 -3.066 -0.729 -13.498 245 2HB ASP 34 3HB ASP 34 -4.295 -1.192 -12.298 246 H ILE 35 HN ILE 35 -1.657 0.836 -9.266 247 HA ILE 35 HA ILE 35 -3.757 -0.152 -7.590 248 HB ILE 35 HB ILE 35 -1.236 0.911 -7.205 249 1HG1 ILE 35 2HG1 ILE 35 -2.948 0.162 -4.902 250 2HG1 ILE 35 3HG1 ILE 35 -2.266 -0.949 -6.114 251 1HG2 ILE 35 2HG2 ILE 35 -2.096 3.200 -7.057 252 2HG2 ILE 35 3HG2 ILE 35 -3.068 2.746 -5.639 253 3HG2 ILE 35 1HG2 ILE 35 -1.309 2.680 -5.575 254 1HD1 ILE 35 HD3 ILE 35 -0.560 0.967 -4.455 255 2HD1 ILE 35 HD1 ILE 35 -0.888 -0.710 -4.043 256 3HD1 ILE 35 HD2 ILE 35 -0.016 -0.320 -5.543 257 HA PRO 36 HA PRO 36 -6.683 3.098 -8.266 258 1HB PRO 36 2HB PRO 36 -8.037 3.241 -5.842 259 2HB PRO 36 3HB PRO 36 -8.149 1.916 -7.016 260 1HG PRO 36 2HG PRO 36 -6.661 1.900 -4.413 261 2HG PRO 36 3HG PRO 36 -7.467 0.611 -5.304 262 1HD PRO 36 2HD PRO 36 -4.694 1.264 -5.296 263 2HD PRO 36 3HD PRO 36 -5.449 0.091 -6.352 264 H TYR 37 HN TYR 37 -4.453 4.420 -8.290 265 HA TYR 37 HA TYR 37 -4.170 6.368 -6.129 266 1HB TYR 37 2HB TYR 37 -2.298 7.162 -7.274 267 2HB TYR 37 3HB TYR 37 -2.275 5.436 -7.580 268 HD1 TYR 37 HD2 TYR 37 -2.897 4.563 -9.881 269 HD2 TYR 37 HD1 TYR 37 -2.569 8.780 -9.050 270 HE1 TYR 37 HE2 TYR 37 -3.282 5.053 -12.261 271 HE2 TYR 37 HE1 TYR 37 -2.893 9.270 -11.456 272 HH TYR 37 HOH TYR 37 -3.466 6.685 -13.854 273 H SER 38 HN SER 38 -4.125 8.690 -6.655 274 HA SER 38 HA SER 38 -5.434 9.943 -8.849 275 1HB SER 38 2HB SER 38 -7.162 9.250 -6.472 276 2HB SER 38 3HB SER 38 -7.440 10.784 -7.299 277 HG SER 38 HOG SER 38 -7.350 8.293 -8.630 278 H CYS 39 HN CYS 39 -3.252 10.237 -6.400 279 HA CYS 39 HA CYS 39 -3.301 13.164 -6.682 280 1HB CYS 39 2HB CYS 39 -3.023 13.690 -4.477 281 2HB CYS 39 3HB CYS 39 -4.455 12.680 -4.539 282 H ARG 40 HN ARG 40 -1.500 10.502 -5.109 283 HA ARG 40 HA ARG 40 0.627 9.824 -5.246 284 1HB ARG 40 2HB ARG 40 0.333 10.506 -7.794 285 2HB ARG 40 3HB ARG 40 1.339 11.884 -7.329 286 1HG ARG 40 2HG ARG 40 2.833 9.944 -6.234 287 2HG ARG 40 3HG ARG 40 1.985 8.942 -7.418 288 1HD ARG 40 2HD ARG 40 3.581 11.476 -8.089 289 2HD ARG 40 3HD ARG 40 4.242 9.854 -8.080 290 HE ARG 40 HNE ARG 40 3.127 9.209 -9.959 291 1HH1 ARG 40 2HN2 ARG 40 1.994 12.431 -9.082 292 2HH1 ARG 40 1HN2 ARG 40 1.442 12.854 -10.670 293 1HH2 ARG 40 2HN1 ARG 40 2.465 9.739 -12.084 294 2HH2 ARG 40 1HN1 ARG 40 1.741 11.276 -12.432 295 H ALA 41 HN ALA 41 -0.036 11.468 -3.174 296 HA ALA 41 HA ALA 41 2.514 12.797 -2.586 297 1HB ALA 41 2HB ALA 41 -0.041 14.437 -2.805 298 2HB ALA 41 3HB ALA 41 1.480 14.993 -2.073 299 3HB ALA 41 1HB ALA 41 1.423 14.608 -3.801 300 H GLY 42 HN GLY 42 2.344 10.969 -1.095 301 1HA GLY 42 2HA GLY 42 2.109 10.145 1.026 302 2HA GLY 42 3HA GLY 42 1.670 11.728 1.624 303 H SER 43 HN SER 43 -0.737 12.381 1.149 304 HA SER 43 HA SER 43 -2.449 10.465 0.192 305 1HB SER 43 2HB SER 43 -3.819 9.886 2.244 306 2HB SER 43 3HB SER 43 -2.224 9.148 2.228 307 HG SER 43 HOG SER 43 -2.524 11.679 3.404 308 H CYS 44 HN CYS 44 -4.794 11.090 0.349 309 HA CYS 44 HA CYS 44 -5.209 13.988 0.836 310 1HB CYS 44 2HB CYS 44 -6.183 14.189 -1.287 311 2HB CYS 44 3HB CYS 44 -4.588 13.490 -1.530 312 H SER 45 HN SER 45 -6.089 11.454 2.266 313 HA SER 45 HA SER 45 -7.919 10.815 3.437 314 1HB SER 45 2HB SER 45 -8.712 13.224 3.335 315 2HB SER 45 3HB SER 45 -9.709 12.750 1.939 316 HG SER 45 HOG SER 45 -10.622 11.130 3.231 317 H SER 46 HN SER 46 -6.977 9.471 1.118 318 HA SER 46 HA SER 46 -9.156 7.688 0.726 319 1HB SER 46 2HB SER 46 -9.151 7.787 -1.786 320 2HB SER 46 3HB SER 46 -9.768 9.270 -1.058 321 HG SER 46 HOG SER 46 -7.654 10.160 -1.396 322 H CYS 47 HN CYS 47 -8.000 6.120 -1.223 323 HA CYS 47 HA CYS 47 -6.558 4.482 -1.514 324 1HB CYS 47 2HB CYS 47 -4.518 6.516 -0.703 325 2HB CYS 47 3HB CYS 47 -4.109 4.907 -1.203 326 H ALA 48 HN ALA 48 -6.303 2.673 -0.452 327 HA ALA 48 HA ALA 48 -4.485 2.471 1.591 328 1HB ALA 48 1HB ALA 48 -7.367 2.430 2.538 329 2HB ALA 48 2HB ALA 48 -6.127 1.491 3.397 330 3HB ALA 48 3HB ALA 48 -5.963 3.240 3.267 331 H GLY 49 HN GLY 49 -4.467 0.242 2.488 332 1HA GLY 49 2HA GLY 49 -5.871 -1.736 0.943 333 2HA GLY 49 3HA GLY 49 -4.091 -1.893 1.025 334 H LYS 50 HN LYS 50 -5.476 -3.925 2.053 335 HA LYS 50 HA LYS 50 -5.596 -3.587 4.973 336 1HB LYS 50 2HB LYS 50 -7.303 -4.800 3.298 337 2HB LYS 50 3HB LYS 50 -6.266 -6.181 3.553 338 1HG LYS 50 2HG LYS 50 -7.045 -6.565 5.633 339 2HG LYS 50 3HG LYS 50 -6.927 -4.869 6.095 340 1HD LYS 50 2HD LYS 50 -9.007 -4.531 4.513 341 2HD LYS 50 3HD LYS 50 -9.224 -6.278 4.753 342 1HE LYS 50 2HE LYS 50 -9.197 -5.856 7.248 343 2HE LYS 50 3HE LYS 50 -8.933 -4.160 6.950 344 1HZ LYS 50 1HNZ LYS 50 -11.021 -4.081 5.649 345 2HZ LYS 50 2HNZ LYS 50 -11.385 -5.586 6.139 346 3HZ LYS 50 3HNZ LYS 50 -11.245 -4.342 7.231 347 H VAL 51 HN VAL 51 -3.668 -3.994 6.025 348 HA VAL 51 HA VAL 51 -1.446 -5.408 4.832 349 HB VAL 51 HB VAL 51 -2.050 -4.677 7.754 350 1HG1 VAL 51 2HG1 VAL 51 0.539 -5.592 6.423 351 2HG1 VAL 51 3HG1 VAL 51 0.430 -4.886 8.052 352 3HG1 VAL 51 1HG1 VAL 51 -0.361 -6.427 7.711 353 1HG2 VAL 51 1HG2 VAL 51 -1.906 -2.696 6.317 354 2HG2 VAL 51 2HG2 VAL 51 -0.551 -2.752 7.440 355 3HG2 VAL 51 3HG2 VAL 51 -0.300 -3.218 5.746 356 H VAL 52 HN VAL 52 -1.813 -7.531 4.310 357 HA VAL 52 HA VAL 52 -3.417 -9.308 6.050 358 HB VAL 52 HB VAL 52 -1.930 -9.524 3.463 359 1HG1 VAL 52 3HG1 VAL 52 -2.959 -11.913 5.038 360 2HG1 VAL 52 1HG1 VAL 52 -2.549 -11.935 3.310 361 3HG1 VAL 52 2HG1 VAL 52 -1.287 -11.624 4.503 362 1HG2 VAL 52 1HG2 VAL 52 -4.371 -8.736 3.760 363 2HG2 VAL 52 2HG2 VAL 52 -4.086 -10.015 2.561 364 3HG2 VAL 52 3HG2 VAL 52 -4.753 -10.417 4.153 365 H SER 53 HN SER 53 0.047 -8.710 5.200 366 HA SER 53 HA SER 53 0.853 -9.625 7.810 367 1HB SER 53 2HB SER 53 0.438 -11.813 6.552 368 2HB SER 53 3HB SER 53 1.770 -11.360 5.476 369 HG SER 53 HOG SER 53 2.449 -12.655 7.290 370 H GLY 54 HN GLY 54 3.314 -9.841 7.811 371 1HA GLY 54 2HA GLY 54 5.391 -8.815 7.512 372 2HA GLY 54 3HA GLY 54 4.832 -8.097 6.011 373 H SER 55 HN SER 55 6.107 -6.226 6.966 374 HA SER 55 HA SER 55 4.265 -4.378 8.319 375 1HB SER 55 2HB SER 55 7.208 -4.602 9.080 376 2HB SER 55 3HB SER 55 5.985 -3.550 9.806 377 HG SER 55 HOG SER 55 5.925 -6.391 9.879 378 H ILE 56 HN ILE 56 4.912 -2.136 7.741 379 HA ILE 56 HA ILE 56 7.051 -1.682 5.854 380 HB ILE 56 HB ILE 56 5.506 -0.479 4.309 381 1HG1 ILE 56 2HG1 ILE 56 3.267 -1.943 5.720 382 2HG1 ILE 56 3HG1 ILE 56 3.551 -0.204 5.811 383 1HG2 ILE 56 2HG2 ILE 56 6.221 -3.093 4.181 384 2HG2 ILE 56 3HG2 ILE 56 4.499 -3.279 4.309 385 3HG2 ILE 56 1HG2 ILE 56 5.185 -2.353 2.957 386 1HD1 ILE 56 HD1 ILE 56 3.379 -1.213 2.998 387 2HD1 ILE 56 HD2 ILE 56 1.922 -1.422 3.959 388 3HD1 ILE 56 HD3 ILE 56 2.667 0.185 3.783 389 H ASP 57 HN ASP 57 7.087 0.792 5.477 390 HA ASP 57 HA ASP 57 6.225 2.252 7.951 391 1HB ASP 57 2HB ASP 57 8.609 2.210 7.958 392 2HB ASP 57 3HB ASP 57 8.704 2.496 6.216 393 H GLN 58 HN GLN 58 4.367 3.294 7.341 394 HA GLN 58 HA GLN 58 4.350 4.747 4.725 395 1HB GLN 58 2HB GLN 58 1.877 4.890 5.213 396 2HB GLN 58 3HB GLN 58 2.508 3.299 4.805 397 1HG GLN 58 2HG GLN 58 2.416 2.540 7.023 398 2HG GLN 58 3HG GLN 58 2.272 4.174 7.686 399 1HE2 GLN 58 2HNE GLN 58 -1.013 2.461 7.818 400 2HE2 GLN 58 1HNE GLN 58 0.614 2.072 8.349 401 H SER 59 HN SER 59 5.958 5.700 7.081 402 HA SER 59 HA SER 59 4.656 7.689 8.455 403 1HB SER 59 2HB SER 59 7.051 7.001 8.766 404 2HB SER 59 3HB SER 59 7.472 7.972 7.343 405 HG SER 59 HOG SER 59 6.259 9.705 8.600 406 H ASP 60 HN ASP 60 5.480 7.842 5.027 407 HA ASP 60 HA ASP 60 5.225 10.628 4.579 408 1HB ASP 60 2HB ASP 60 4.780 8.149 2.891 409 2HB ASP 60 3HB ASP 60 4.391 9.757 2.271 410 H GLN 61 HN GLN 61 2.764 8.267 5.341 411 HA GLN 61 HA GLN 61 0.515 9.306 4.148 412 1HB GLN 61 2HB GLN 61 -0.739 8.049 5.774 413 2HB GLN 61 3HB GLN 61 0.745 7.150 5.477 414 1HG GLN 61 2HG GLN 61 1.704 8.408 7.570 415 2HG GLN 61 3HG GLN 61 0.030 8.857 7.902 416 1HE2 GLN 61 2HNE GLN 61 -0.915 5.303 8.327 417 2HE2 GLN 61 1HNE GLN 61 -1.442 6.651 7.334 418 H SER 62 HN SER 62 -1.283 10.481 4.933 419 HA SER 62 HA SER 62 -1.093 12.056 7.371 420 1HB SER 62 2HB SER 62 -0.146 13.195 4.924 421 2HB SER 62 3HB SER 62 -1.734 13.910 5.165 422 HG SER 62 HOG SER 62 0.412 13.784 7.030 423 H PHE 63 HN PHE 63 -2.654 9.948 6.979 424 HA PHE 63 HA PHE 63 -5.337 11.062 6.857 425 1HB PHE 63 2HB PHE 63 -5.140 10.801 4.523 426 2HB PHE 63 3HB PHE 63 -4.306 9.250 4.690 427 HD1 PHE 63 HD2 PHE 63 -7.511 10.119 6.504 428 HD2 PHE 63 HD1 PHE 63 -5.624 7.981 3.240 429 HE1 PHE 63 HE2 PHE 63 -9.532 8.770 6.198 430 HE2 PHE 63 HE1 PHE 63 -7.640 6.668 2.942 431 HZ PHE 63 HZ PHE 63 -9.644 7.072 4.383 432 H LEU 64 HN LEU 64 -4.002 7.639 6.455 433 HA LEU 64 HA LEU 64 -6.103 6.644 7.859 434 1HB LEU 64 2HB LEU 64 -3.313 5.486 7.618 435 2HB LEU 64 3HB LEU 64 -4.601 4.660 8.435 436 HG LEU 64 HG LEU 64 -5.992 4.859 6.275 437 1HD1 LEU 64 2HD1 LEU 64 -3.226 5.629 5.270 438 2HD1 LEU 64 3HD1 LEU 64 -4.457 4.903 4.214 439 3HD1 LEU 64 1HD1 LEU 64 -4.761 6.463 4.977 440 1HD2 LEU 64 1HD2 LEU 64 -3.439 3.241 6.501 441 2HD2 LEU 64 2HD2 LEU 64 -5.024 2.841 7.196 442 3HD2 LEU 64 3HD2 LEU 64 -4.815 2.830 5.432 443 H ASP 65 HN ASP 65 -6.577 6.073 9.923 444 HA ASP 65 HA ASP 65 -5.107 7.534 12.023 445 1HB ASP 65 2HB ASP 65 -7.675 5.940 12.206 446 2HB ASP 65 3HB ASP 65 -7.032 7.058 13.419 447 H ASP 66 HN ASP 66 -4.951 6.395 14.160 448 HA ASP 66 HA ASP 66 -3.187 4.142 14.070 449 1HB ASP 66 2HB ASP 66 -4.839 5.467 16.277 450 2HB ASP 66 3HB ASP 66 -3.932 3.982 16.564 451 H GLU 67 HN GLU 67 -6.687 4.500 14.582 452 HA GLU 67 HA GLU 67 -7.324 1.903 15.288 453 1HB GLU 67 2HB GLU 67 -9.209 3.331 13.389 454 2HB GLU 67 3HB GLU 67 -9.507 2.480 14.901 455 1HG GLU 67 2HG GLU 67 -8.302 4.497 16.007 456 2HG GLU 67 3HG GLU 67 -8.559 5.297 14.438 457 H GLN 68 HN GLN 68 -7.530 3.296 11.983 458 HA GLN 68 HA GLN 68 -8.017 0.962 10.617 459 1HB GLN 68 2HB GLN 68 -6.522 3.440 9.740 460 2HB GLN 68 3HB GLN 68 -7.141 2.205 8.636 461 1HG GLN 68 2HG GLN 68 -9.407 2.541 9.291 462 2HG GLN 68 3HG GLN 68 -8.947 3.642 10.596 463 1HE2 GLN 68 2HNE GLN 68 -10.012 5.648 7.679 464 2HE2 GLN 68 1HNE GLN 68 -10.790 4.400 8.629 465 H MET 69 HN MET 69 -4.737 2.496 11.177 466 HA MET 69 HA MET 69 -3.234 0.497 9.905 467 1HB MET 69 2HB MET 69 -2.542 2.182 12.336 468 2HB MET 69 3HB MET 69 -1.421 1.206 11.377 469 1HG MET 69 2HG MET 69 -2.279 2.535 9.311 470 2HG MET 69 3HG MET 69 -3.048 3.571 10.433 471 1HE MET 69 HE3 MET 69 -2.080 5.756 10.437 472 2HE MET 69 HE1 MET 69 -1.844 5.178 12.111 473 3HE MET 69 HE2 MET 69 -0.556 6.105 11.289 474 H ASP 70 HN ASP 70 -4.107 0.617 13.386 475 HA ASP 70 HA ASP 70 -2.906 -1.828 14.153 476 1HB ASP 70 2HB ASP 70 -3.776 0.018 15.668 477 2HB ASP 70 3HB ASP 70 -5.414 -0.523 15.307 478 H ALA 71 HN ALA 71 -6.097 -1.022 12.969 479 HA ALA 71 HA ALA 71 -7.429 -3.514 13.308 480 1HB ALA 71 1HB ALA 71 -7.875 -1.224 11.365 481 2HB ALA 71 2HB ALA 71 -9.035 -2.543 11.630 482 3HB ALA 71 3HB ALA 71 -8.634 -1.420 12.948 483 H GLY 72 HN GLY 72 -5.077 -2.494 10.920 484 1HA GLY 72 2HA GLY 72 -3.905 -4.350 9.870 485 2HA GLY 72 3HA GLY 72 -5.433 -5.097 9.474 486 H TYR 73 HN TYR 73 -4.986 -1.551 9.170 487 HA TYR 73 HA TYR 73 -5.104 -1.925 6.215 488 1HB TYR 73 2HB TYR 73 -6.057 0.354 7.907 489 2HB TYR 73 3HB TYR 73 -6.060 0.296 6.154 490 HD1 TYR 73 HD2 TYR 73 -7.239 -1.612 4.945 491 HD2 TYR 73 HD1 TYR 73 -7.945 -0.663 9.083 492 HE1 TYR 73 HE2 TYR 73 -9.569 -2.243 4.693 493 HE2 TYR 73 HE1 TYR 73 -10.308 -1.283 8.831 494 HH TYR 73 HOH TYR 73 -12.057 -1.381 6.632 495 H VAL 74 HN VAL 74 -4.075 -0.132 4.962 496 HA VAL 74 HA VAL 74 -1.974 1.424 6.232 497 HB VAL 74 HB VAL 74 -0.922 -0.763 6.045 498 1HG1 VAL 74 3HG1 VAL 74 -2.208 -1.756 4.175 499 2HG1 VAL 74 1HG1 VAL 74 -1.437 -0.622 3.046 500 3HG1 VAL 74 2HG1 VAL 74 -0.459 -1.822 3.912 501 1HG2 VAL 74 2HG2 VAL 74 0.204 1.578 5.207 502 2HG2 VAL 74 3HG2 VAL 74 1.046 0.063 5.436 503 3HG2 VAL 74 1HG2 VAL 74 0.473 0.563 3.809 504 H LEU 75 HN LEU 75 -1.201 3.068 4.804 505 HA LEU 75 HA LEU 75 -2.833 3.867 2.601 506 1HB LEU 75 2HB LEU 75 -1.454 5.363 4.031 507 2HB LEU 75 3HB LEU 75 -0.004 4.501 3.504 508 HG LEU 75 HG LEU 75 -0.326 5.284 1.221 509 1HD1 LEU 75 1HD1 LEU 75 -2.760 6.724 2.380 510 2HD1 LEU 75 2HD1 LEU 75 -2.004 7.164 0.837 511 3HD1 LEU 75 3HD1 LEU 75 -2.743 5.571 1.034 512 1HD2 LEU 75 1HD2 LEU 75 0.820 6.552 3.237 513 2HD2 LEU 75 2HD2 LEU 75 0.622 7.341 1.690 514 3HD2 LEU 75 3HD2 LEU 75 -0.521 7.688 3.018 515 H THR 76 HN THR 76 -2.662 3.252 0.404 516 HA THR 76 HA THR 76 -0.414 1.548 -0.469 517 HB THR 76 HB THR 76 -1.892 1.740 -2.643 518 HG1 THR 76 HG1 THR 76 -3.381 3.270 -2.047 519 1HG2 THR 76 1HG2 THR 76 -2.776 0.302 -0.106 520 2HG2 THR 76 2HG2 THR 76 -3.349 -0.076 -1.745 521 3HG2 THR 76 3HG2 THR 76 -1.636 -0.305 -1.329 522 H CYS 77 HN CYS 77 -1.678 4.854 -0.912 523 HA CYS 77 HA CYS 77 -0.439 5.521 -3.245 524 1HB CYS 77 2HB CYS 77 -2.047 6.753 -1.512 525 2HB CYS 77 3HB CYS 77 -0.589 7.672 -1.197 526 H HIS 78 HN HIS 78 0.936 6.074 0.034 527 HA HIS 78 HA HIS 78 3.667 5.726 -1.086 528 1HB HIS 78 2HB HIS 78 2.743 7.894 0.836 529 2HB HIS 78 3HB HIS 78 4.413 7.363 0.722 530 HD1 HIS 78 HND HIS 78 3.157 7.396 -2.727 531 HD2 HIS 78 HD HIS 78 4.518 10.206 0.091 532 HE1 HIS 78 HE HIS 78 3.739 9.512 -4.018 533 H ALA 79 HN ALA 79 4.784 4.202 -0.012 534 HA ALA 79 HA ALA 79 4.728 3.748 2.798 535 1HB ALA 79 3HB ALA 79 3.060 1.951 1.003 536 2HB ALA 79 1HB ALA 79 3.919 1.302 2.417 537 3HB ALA 79 2HB ALA 79 2.682 2.566 2.612 538 H TYR 80 HN TYR 80 6.583 2.630 3.327 539 HA TYR 80 HA TYR 80 8.409 1.817 1.115 540 1HB TYR 80 2HB TYR 80 8.858 2.781 3.940 541 2HB TYR 80 3HB TYR 80 10.095 2.022 2.939 542 HD1 TYR 80 HD1 TYR 80 7.780 4.951 3.143 543 HD2 TYR 80 HD2 TYR 80 11.171 3.188 1.164 544 HE1 TYR 80 HE1 TYR 80 8.184 7.065 1.950 545 HE2 TYR 80 HE2 TYR 80 11.568 5.316 -0.047 546 HH TYR 80 HOH TYR 80 9.477 8.181 0.401 547 HA PRO 81 HA PRO 81 7.490 -2.184 2.905 548 1HB PRO 81 2HB PRO 81 8.805 -3.756 1.019 549 2HB PRO 81 3HB PRO 81 7.141 -3.124 0.900 550 1HG PRO 81 2HG PRO 81 9.568 -2.197 -0.543 551 2HG PRO 81 3HG PRO 81 7.835 -1.920 -0.883 552 1HD PRO 81 2HD PRO 81 9.623 -0.076 0.300 553 2HD PRO 81 3HD PRO 81 7.878 0.085 -0.034 554 H THR 82 HN THR 82 8.548 -2.842 4.782 555 HA THR 82 HA THR 82 11.484 -2.574 4.849 556 HB THR 82 HB THR 82 11.162 -2.892 7.264 557 HG1 THR 82 HG1 THR 82 9.021 -2.873 8.033 558 1HG2 THR 82 1HG2 THR 82 11.095 -0.616 6.245 559 2HG2 THR 82 2HG2 THR 82 9.338 -0.751 6.063 560 3HG2 THR 82 3HG2 THR 82 10.061 -0.735 7.681 561 H SER 83 HN SER 83 9.179 -5.040 4.192 562 HA SER 83 HA SER 83 11.193 -7.020 3.915 563 1HB SER 83 2HB SER 83 9.190 -7.340 6.183 564 2HB SER 83 3HB SER 83 9.990 -8.725 5.426 565 HG SER 83 HOG SER 83 11.604 -6.613 6.289 566 H ASP 84 HN ASP 84 9.744 -9.218 3.406 567 HA ASP 84 HA ASP 84 8.026 -8.773 1.154 568 1HB ASP 84 2HB ASP 84 7.553 -11.169 1.519 569 2HB ASP 84 3HB ASP 84 9.260 -10.771 1.275 570 H VAL 85 HN VAL 85 6.347 -7.433 1.724 571 HA VAL 85 HA VAL 85 4.508 -8.231 3.923 572 HB VAL 85 HB VAL 85 5.387 -5.964 4.029 573 1HG1 VAL 85 1HG1 VAL 85 5.013 -5.895 1.223 574 2HG1 VAL 85 2HG1 VAL 85 3.922 -4.676 1.888 575 3HG1 VAL 85 3HG1 VAL 85 5.657 -4.640 2.270 576 1HG2 VAL 85 3HG2 VAL 85 2.401 -6.247 3.618 577 2HG2 VAL 85 1HG2 VAL 85 3.361 -6.067 5.109 578 3HG2 VAL 85 2HG2 VAL 85 3.087 -4.717 4.030 579 H VAL 86 HN VAL 86 2.350 -8.430 3.620 580 HA VAL 86 HA VAL 86 1.413 -8.824 0.818 581 HB VAL 86 HB VAL 86 0.520 -10.395 3.272 582 1HG1 VAL 86 3HG1 VAL 86 -0.137 -10.525 0.308 583 2HG1 VAL 86 1HG1 VAL 86 -0.509 -11.850 1.424 584 3HG1 VAL 86 2HG1 VAL 86 -1.251 -10.257 1.617 585 1HG2 VAL 86 1HG2 VAL 86 2.411 -11.177 1.000 586 2HG2 VAL 86 2HG2 VAL 86 2.806 -11.096 2.728 587 3HG2 VAL 86 3HG2 VAL 86 1.690 -12.332 2.143 588 H ILE 87 HN ILE 87 -0.002 -7.230 0.376 589 HA ILE 87 HA ILE 87 -1.813 -6.322 2.493 590 HB ILE 87 HB ILE 87 -0.203 -4.732 2.640 591 1HG1 ILE 87 2HG1 ILE 87 -2.404 -3.642 2.220 592 2HG1 ILE 87 3HG1 ILE 87 -0.928 -2.688 1.974 593 1HG2 ILE 87 2HG2 ILE 87 0.286 -4.915 -0.260 594 2HG2 ILE 87 3HG2 ILE 87 0.909 -3.567 0.723 595 3HG2 ILE 87 1HG2 ILE 87 1.415 -5.231 1.071 596 1HD1 ILE 87 HD1 ILE 87 -1.003 -3.190 -0.443 597 2HD1 ILE 87 HD2 ILE 87 -2.630 -3.831 -0.183 598 3HD1 ILE 87 HD3 ILE 87 -2.246 -2.130 0.165 599 H GLU 88 HN GLU 88 -3.878 -5.847 1.737 600 HA GLU 88 HA GLU 88 -4.422 -6.562 -1.112 601 1HB GLU 88 2HB GLU 88 -6.422 -5.949 1.030 602 2HB GLU 88 3HB GLU 88 -6.697 -6.845 -0.481 603 1HG GLU 88 2HG GLU 88 -5.496 -8.752 0.557 604 2HG GLU 88 3HG GLU 88 -5.133 -7.740 1.960 605 H THR 89 HN THR 89 -4.815 -4.973 -2.593 606 HA THR 89 HA THR 89 -4.834 -2.181 -1.547 607 HB THR 89 HB THR 89 -4.398 -1.443 -3.814 608 HG1 THR 89 HG1 THR 89 -4.921 -4.110 -4.589 609 1HG2 THR 89 1HG2 THR 89 -2.815 -3.988 -3.289 610 2HG2 THR 89 2HG2 THR 89 -2.387 -2.661 -4.379 611 3HG2 THR 89 3HG2 THR 89 -2.466 -2.378 -2.632 612 H HIS 90 HN HIS 90 -6.424 -0.642 -2.838 613 HA HIS 90 HA HIS 90 -8.511 0.053 -3.352 614 1HB HIS 90 2HB HIS 90 -9.286 -2.851 -3.870 615 2HB HIS 90 3HB HIS 90 -10.172 -1.410 -4.335 616 HD1 HIS 90 HND HIS 90 -6.388 -1.937 -5.020 617 HD2 HIS 90 HD HIS 90 -10.123 -1.657 -6.938 618 HE1 HIS 90 HE HIS 90 -5.900 -1.955 -7.471 619 H LYS 91 HN LYS 91 -7.889 -0.070 -0.709 620 HA LYS 91 HA LYS 91 -10.437 -1.017 0.586 621 1HB LYS 91 2HB LYS 91 -7.713 -0.781 1.863 622 2HB LYS 91 3HB LYS 91 -9.177 -1.483 2.546 623 1HG LYS 91 2HG LYS 91 -7.768 -2.574 0.060 624 2HG LYS 91 3HG LYS 91 -7.590 -3.202 1.695 625 1HD LYS 91 2HD LYS 91 -9.761 -3.813 1.900 626 2HD LYS 91 3HD LYS 91 -10.282 -3.095 0.377 627 1HE LYS 91 2HE LYS 91 -9.474 -4.750 -0.933 628 2HE LYS 91 3HE LYS 91 -8.036 -4.917 0.055 629 1HZ LYS 91 2HNZ LYS 91 -9.450 -6.048 1.731 630 2HZ LYS 91 3HNZ LYS 91 -10.673 -6.107 0.637 631 3HZ LYS 91 1HNZ LYS 91 -9.215 -6.913 0.423 632 H GLU 92 HN GLU 92 -10.313 1.423 -0.710 633 HA GLU 92 HA GLU 92 -9.865 3.494 1.330 634 1HB GLU 92 2HB GLU 92 -9.279 4.035 -0.860 635 2HB GLU 92 3HB GLU 92 -10.805 3.495 -1.552 636 1HG GLU 92 2HG GLU 92 -10.878 5.670 0.557 637 2HG GLU 92 3HG GLU 92 -10.261 6.066 -1.060 638 H GLU 93 HN GLU 93 -12.751 2.390 -0.567 639 HA GLU 93 HA GLU 93 -14.540 3.277 1.471 640 1HB GLU 93 2HB GLU 93 -15.000 1.516 -1.000 641 2HB GLU 93 3HB GLU 93 -16.274 2.048 0.094 642 1HG GLU 93 2HG GLU 93 -15.231 4.473 -0.451 643 2HG GLU 93 3HG GLU 93 -14.809 3.638 -1.949 644 H GLU 94 HN GLU 94 -12.963 1.819 2.847 645 HA GLU 94 HA GLU 94 -14.810 0.286 4.283 646 1HB GLU 94 2HB GLU 94 -13.691 -1.891 4.547 647 2HB GLU 94 3HB GLU 94 -14.374 -1.649 2.943 648 1HG GLU 94 2HG GLU 94 -12.239 -1.363 1.957 649 2HG GLU 94 3HG GLU 94 -11.434 -1.171 3.524 650 H ILE 95 HN ILE 95 -11.645 1.827 4.128 651 HA ILE 95 HA ILE 95 -11.145 1.363 6.932 652 HB ILE 95 HB ILE 95 -9.375 2.984 6.613 653 1HG1 ILE 95 2HG1 ILE 95 -10.092 3.110 3.685 654 2HG1 ILE 95 3HG1 ILE 95 -10.609 4.357 4.833 655 1HG2 ILE 95 2HG2 ILE 95 -9.606 0.652 4.663 656 2HG2 ILE 95 3HG2 ILE 95 -8.099 1.534 4.928 657 3HG2 ILE 95 1HG2 ILE 95 -8.926 0.790 6.286 658 1HD1 ILE 95 HD2 ILE 95 -7.703 3.631 4.617 659 2HD1 ILE 95 HD3 ILE 95 -8.516 4.772 3.529 660 3HD1 ILE 95 HD1 ILE 95 -8.467 5.068 5.296 661 H VAL 96 HN VAL 96 -12.803 3.822 5.000 662 HA VAL 96 HA VAL 96 -13.230 5.531 7.358 663 HB VAL 96 HB VAL 96 -14.380 7.006 5.851 664 1HG1 VAL 96 2HG1 VAL 96 -11.806 6.954 5.972 665 2HG1 VAL 96 3HG1 VAL 96 -11.861 6.140 4.393 666 3HG1 VAL 96 1HG1 VAL 96 -12.521 7.765 4.571 667 1HG2 VAL 96 2HG2 VAL 96 -15.480 5.405 4.333 668 2HG2 VAL 96 3HG2 VAL 96 -14.529 6.587 3.422 669 3HG2 VAL 96 1HG2 VAL 96 -13.910 4.944 3.645 No H/Q in entry = 668 Start of MODEL 8 1 1H ALA 1 1HN ALA 1 14.928 -2.099 0.445 2 2H ALA 1 2HN ALA 1 15.828 -1.169 -0.627 3 2H ALA 1 3HN ALA 1 15.828 -1.169 -0.627 4 HA ALA 1 HA ALA 1 17.439 -2.760 -0.979 5 1HB ALA 1 3HB ALA 1 17.802 -2.924 1.468 6 2HB ALA 1 1HB ALA 1 16.528 -4.158 1.548 7 3HB ALA 1 2HB ALA 1 18.014 -4.473 0.632 8 H THR 2 HN THR 2 14.140 -3.241 -1.295 9 HA THR 2 HA THR 2 13.163 -4.306 -2.978 10 HB THR 2 HB THR 2 15.767 -5.665 -3.600 11 HG1 THR 2 HG1 THR 2 14.739 -3.116 -4.352 12 1HG2 THR 2 3HG2 THR 2 13.315 -4.900 -5.247 13 2HG2 THR 2 1HG2 THR 2 14.883 -5.368 -5.929 14 3HG2 THR 2 2HG2 THR 2 13.976 -6.528 -4.951 15 H TYR 3 HN TYR 3 11.622 -5.277 -1.817 16 HA TYR 3 HA TYR 3 12.115 -8.050 -0.810 17 1HB TYR 3 2HB TYR 3 10.294 -5.852 0.233 18 2HB TYR 3 3HB TYR 3 10.364 -7.481 0.865 19 HD1 TYR 3 HD1 TYR 3 12.438 -8.303 2.033 20 HD2 TYR 3 HD2 TYR 3 12.113 -4.233 0.646 21 HE1 TYR 3 HE1 TYR 3 14.303 -7.646 3.525 22 HE2 TYR 3 HE2 TYR 3 14.063 -3.617 2.075 23 HH TYR 3 HOH TYR 3 15.402 -5.787 4.487 24 H ASN 4 HN ASN 4 10.234 -9.404 -0.686 25 HA ASN 4 HA ASN 4 8.670 -9.596 -3.079 26 1HB ASN 4 2HB ASN 4 9.646 -11.547 -1.978 27 2HB ASN 4 3HB ASN 4 8.913 -11.104 -0.433 28 1HD2 ASN 4 2HND ASN 4 6.042 -12.233 -3.113 29 2HD2 ASN 4 1HND ASN 4 6.924 -10.708 -3.297 30 H VAL 5 HN VAL 5 7.143 -7.959 -3.207 31 HA VAL 5 HA VAL 5 5.309 -7.665 -0.884 32 HB VAL 5 HB VAL 5 5.524 -5.823 -3.242 33 1HG1 VAL 5 2HG1 VAL 5 4.088 -5.690 -0.532 34 2HG1 VAL 5 3HG1 VAL 5 4.231 -4.333 -1.654 35 3HG1 VAL 5 1HG1 VAL 5 3.327 -5.772 -2.124 36 1HG2 VAL 5 3HG2 VAL 5 6.854 -5.836 -0.500 37 2HG2 VAL 5 1HG2 VAL 5 7.595 -5.579 -2.082 38 3HG2 VAL 5 2HG2 VAL 5 6.543 -4.327 -1.365 39 H LYS 6 HN LYS 6 3.374 -8.787 -1.059 40 HA LYS 6 HA LYS 6 2.272 -9.224 -3.784 41 1HB LYS 6 2HB LYS 6 2.330 -11.095 -2.201 42 2HB LYS 6 3HB LYS 6 1.341 -10.162 -1.091 43 1HG LYS 6 2HG LYS 6 -0.451 -9.958 -2.920 44 2HG LYS 6 3HG LYS 6 0.590 -10.935 -3.964 45 1HD LYS 6 2HD LYS 6 -0.773 -11.780 -1.360 46 2HD LYS 6 3HD LYS 6 -1.174 -12.175 -3.014 47 1HE LYS 6 2HE LYS 6 1.330 -13.005 -3.156 48 2HE LYS 6 3HE LYS 6 1.242 -13.070 -1.402 49 1HZ LYS 6 3HNZ LYS 6 -0.697 -14.331 -3.293 50 2HZ LYS 6 1HNZ LYS 6 0.628 -15.138 -2.718 51 3HZ LYS 6 2HNZ LYS 6 -0.586 -14.660 -1.690 52 H LEU 7 HN LEU 7 0.715 -8.028 -4.633 53 HA LEU 7 HA LEU 7 -1.019 -6.353 -2.858 54 1HB LEU 7 2HB LEU 7 -0.379 -6.200 -5.808 55 2HB LEU 7 3HB LEU 7 -1.424 -5.094 -4.962 56 HG LEU 7 HG LEU 7 1.568 -5.463 -4.754 57 1HD1 LEU 7 2HD1 LEU 7 0.400 -4.093 -6.526 58 2HD1 LEU 7 3HD1 LEU 7 -0.054 -2.948 -5.264 59 3HD1 LEU 7 1HD1 LEU 7 1.666 -3.224 -5.610 60 1HD2 LEU 7 2HD2 LEU 7 -0.190 -3.839 -2.868 61 2HD2 LEU 7 3HD2 LEU 7 0.989 -5.113 -2.465 62 3HD2 LEU 7 1HD2 LEU 7 1.550 -3.566 -3.082 63 H ILE 8 HN ILE 8 -2.722 -7.554 -2.252 64 HA ILE 8 HA ILE 8 -4.006 -9.346 -4.241 65 HB ILE 8 HB ILE 8 -4.647 -8.523 -1.425 66 1HG1 ILE 8 2HG1 ILE 8 -3.909 -11.189 -2.634 67 2HG1 ILE 8 3HG1 ILE 8 -2.825 -10.129 -1.716 68 1HG2 ILE 8 2HG2 ILE 8 -6.784 -8.764 -2.729 69 2HG2 ILE 8 3HG2 ILE 8 -6.242 -10.367 -3.269 70 3HG2 ILE 8 1HG2 ILE 8 -6.597 -10.056 -1.556 71 1HD1 ILE 8 HD1 ILE 8 -4.440 -10.368 0.231 72 2HD1 ILE 8 HD2 ILE 8 -5.254 -11.645 -0.699 73 3HD1 ILE 8 HD3 ILE 8 -3.557 -11.835 -0.235 74 H THR 9 HN THR 9 -4.459 -8.128 -5.971 75 HA THR 9 HA THR 9 -6.036 -5.674 -5.690 76 HB THR 9 HB THR 9 -5.710 -5.597 -8.119 77 HG1 THR 9 HG1 THR 9 -5.410 -7.936 -8.428 78 1HG2 THR 9 1HG2 THR 9 -3.124 -6.146 -6.582 79 2HG2 THR 9 2HG2 THR 9 -3.233 -5.301 -8.133 80 3HG2 THR 9 3HG2 THR 9 -3.951 -4.563 -6.690 81 HA PRO 10 HA PRO 10 -9.902 -7.710 -6.515 82 1HB PRO 10 2HB PRO 10 -10.448 -5.824 -8.722 83 2HB PRO 10 3HB PRO 10 -11.404 -6.175 -7.242 84 1HG PRO 10 2HG PRO 10 -9.944 -3.949 -7.633 85 2HG PRO 10 3HG PRO 10 -10.138 -4.633 -6.000 86 1HD PRO 10 2HD PRO 10 -7.787 -4.682 -7.727 87 2HD PRO 10 3HD PRO 10 -7.900 -4.755 -5.999 88 H ASP 11 HN ASP 11 -7.908 -6.848 -9.299 89 HA ASP 11 HA ASP 11 -8.771 -8.407 -11.417 90 1HB ASP 11 2HB ASP 11 -6.053 -7.438 -10.412 91 2HB ASP 11 3HB ASP 11 -6.197 -8.380 -11.877 92 H GLY 12 HN GLY 12 -7.004 -9.262 -8.517 93 1HA GLY 12 2HA GLY 12 -7.209 -11.329 -7.637 94 2HA GLY 12 3HA GLY 12 -7.052 -12.157 -9.211 95 H GLU 13 HN GLU 13 -5.331 -9.891 -7.095 96 HA GLU 13 HA GLU 13 -3.281 -9.744 -6.224 97 1HB GLU 13 2HB GLU 13 -3.087 -12.589 -7.187 98 2HB GLU 13 3HB GLU 13 -1.723 -11.741 -6.487 99 1HG GLU 13 2HG GLU 13 -2.690 -11.428 -4.464 100 2HG GLU 13 3HG GLU 13 -4.339 -11.828 -5.012 101 H VAL 14 HN VAL 14 -1.294 -9.043 -6.626 102 HA VAL 14 HA VAL 14 0.109 -9.913 -8.987 103 HB VAL 14 HB VAL 14 -1.090 -8.023 -9.833 104 1HG1 VAL 14 2HG1 VAL 14 -1.285 -6.669 -7.789 105 2HG1 VAL 14 3HG1 VAL 14 0.409 -6.163 -7.999 106 3HG1 VAL 14 1HG1 VAL 14 -0.811 -5.770 -9.229 107 1HG2 VAL 14 3HG2 VAL 14 1.172 -8.645 -10.679 108 2HG2 VAL 14 1HG2 VAL 14 0.769 -6.941 -10.931 109 3HG2 VAL 14 2HG2 VAL 14 1.866 -7.411 -9.605 110 H GLU 15 HN GLU 15 1.792 -10.737 -8.026 111 HA GLU 15 HA GLU 15 3.048 -9.483 -5.698 112 1HB GLU 15 2HB GLU 15 2.551 -12.129 -6.383 113 2HB GLU 15 3HB GLU 15 4.219 -11.943 -6.947 114 1HG GLU 15 2HG GLU 15 4.870 -11.155 -4.699 115 2HG GLU 15 3HG GLU 15 3.181 -11.216 -4.186 116 H PHE 16 HN PHE 16 5.019 -8.534 -5.689 117 HA PHE 16 HA PHE 16 6.716 -8.520 -8.051 118 1HB PHE 16 2HB PHE 16 6.560 -6.446 -8.795 119 2HB PHE 16 3HB PHE 16 4.896 -6.928 -8.638 120 HD1 PHE 16 HD2 PHE 16 3.956 -6.398 -6.063 121 HD2 PHE 16 HD1 PHE 16 7.178 -4.306 -8.050 122 HE1 PHE 16 HE2 PHE 16 3.734 -4.551 -4.532 123 HE2 PHE 16 HE1 PHE 16 6.811 -2.398 -6.662 124 HZ PHE 16 HZ PHE 16 4.983 -2.384 -4.936 125 H LYS 17 HN LYS 17 8.593 -6.910 -7.763 126 HA LYS 17 HA LYS 17 9.552 -7.237 -4.983 127 1HB LYS 17 2HB LYS 17 10.816 -7.666 -7.501 128 2HB LYS 17 3HB LYS 17 11.584 -6.256 -6.787 129 1HG LYS 17 2HG LYS 17 12.747 -8.259 -6.134 130 2HG LYS 17 3HG LYS 17 12.000 -7.508 -4.695 131 1HD LYS 17 2HD LYS 17 10.598 -9.263 -4.316 132 2HD LYS 17 3HD LYS 17 10.219 -9.404 -6.022 133 1HE LYS 17 2HE LYS 17 11.298 -11.467 -5.228 134 2HE LYS 17 3HE LYS 17 12.326 -10.661 -6.420 135 1HZ LYS 17 3HNZ LYS 17 13.607 -9.750 -4.562 136 2HZ LYS 17 1HNZ LYS 17 12.664 -10.555 -3.486 137 3HZ LYS 17 2HNZ LYS 17 13.601 -11.394 -4.544 138 H CYS 18 HN CYS 18 9.535 -5.485 -3.718 139 HA CYS 18 HA CYS 18 9.418 -2.764 -5.037 140 1HB CYS 18 2HB CYS 18 7.258 -3.581 -3.989 141 2HB CYS 18 3HB CYS 18 8.153 -3.417 -2.467 142 HG CYS 18 HSG CYS 18 7.731 -1.203 -4.902 143 H ASP 19 HN ASP 19 11.078 -1.490 -4.558 144 HA ASP 19 HA ASP 19 13.067 -2.246 -2.636 145 1HB ASP 19 2HB ASP 19 12.680 0.442 -3.954 146 2HB ASP 19 3HB ASP 19 14.068 -0.095 -3.048 147 H ASP 20 HN ASP 20 13.249 -1.658 -0.583 148 HA ASP 20 HA ASP 20 11.161 -0.579 1.084 149 1HB ASP 20 2HB ASP 20 13.083 -1.713 2.080 150 2HB ASP 20 3HB ASP 20 14.174 -0.447 1.435 151 H ASP 21 HN ASP 21 13.792 0.722 -0.799 152 HA ASP 21 HA ASP 21 13.695 3.379 0.090 153 1HB ASP 21 2HB ASP 21 14.842 2.543 -2.572 154 2HB ASP 21 3HB ASP 21 15.433 3.651 -1.310 155 H VAL 22 HN VAL 22 11.399 1.778 -1.893 156 HA VAL 22 HA VAL 22 10.659 4.310 -3.246 157 HB VAL 22 HB VAL 22 11.900 2.529 -4.697 158 1HG1 VAL 22 3HG1 VAL 22 10.342 0.616 -3.881 159 2HG1 VAL 22 1HG1 VAL 22 9.121 1.313 -4.939 160 3HG1 VAL 22 2HG1 VAL 22 10.676 0.744 -5.593 161 1HG2 VAL 22 2HG2 VAL 22 10.711 4.518 -5.580 162 2HG2 VAL 22 3HG2 VAL 22 10.519 3.100 -6.635 163 3HG2 VAL 22 1HG2 VAL 22 9.197 3.587 -5.558 164 H TYR 23 HN TYR 23 8.366 4.448 -3.761 165 HA TYR 23 HA TYR 23 6.820 3.362 -1.583 166 1HB TYR 23 2HB TYR 23 5.962 4.957 -3.991 167 2HB TYR 23 3HB TYR 23 4.981 4.655 -2.546 168 HD1 TYR 23 HD1 TYR 23 6.292 5.309 -0.251 169 HD2 TYR 23 HD2 TYR 23 7.023 7.027 -4.128 170 HE1 TYR 23 HE1 TYR 23 7.185 7.361 0.830 171 HE2 TYR 23 HE2 TYR 23 8.019 9.021 -3.058 172 HH TYR 23 HOH TYR 23 8.527 10.069 -1.073 173 H VAL 24 HN VAL 24 5.113 1.872 -1.694 174 HA VAL 24 HA VAL 24 5.185 -0.143 -3.807 175 HB VAL 24 HB VAL 24 2.994 0.178 -1.740 176 1HG1 VAL 24 2HG1 VAL 24 2.950 -1.726 -3.481 177 2HG1 VAL 24 3HG1 VAL 24 4.461 -2.298 -2.736 178 3HG1 VAL 24 1HG1 VAL 24 2.964 -2.251 -1.785 179 1HG2 VAL 24 1HG2 VAL 24 5.814 -0.782 -1.280 180 2HG2 VAL 24 2HG2 VAL 24 4.867 0.365 -0.304 181 3HG2 VAL 24 3HG2 VAL 24 4.472 -1.343 -0.256 182 H LEU 25 HN LEU 25 4.774 2.065 -5.171 183 HA LEU 25 HA LEU 25 2.458 1.278 -6.591 184 1HB LEU 25 2HB LEU 25 1.198 3.145 -6.860 185 2HB LEU 25 3HB LEU 25 1.383 3.007 -5.112 186 HG LEU 25 HG LEU 25 2.924 4.956 -6.904 187 1HD1 LEU 25 1HD1 LEU 25 0.452 5.393 -5.198 188 2HD1 LEU 25 2HD1 LEU 25 1.386 6.661 -6.019 189 3HD1 LEU 25 3HD1 LEU 25 0.534 5.430 -6.971 190 1HD2 LEU 25 2HD2 LEU 25 3.951 4.347 -4.647 191 2HD2 LEU 25 3HD2 LEU 25 3.565 6.063 -4.858 192 3HD2 LEU 25 1HD2 LEU 25 2.511 5.024 -3.882 193 H ASP 26 HN ASP 26 5.011 3.745 -6.225 194 HA ASP 26 HA ASP 26 5.480 4.443 -8.856 195 1HB ASP 26 2HB ASP 26 7.245 4.089 -6.420 196 2HB ASP 26 3HB ASP 26 7.968 4.547 -7.971 197 H GLN 27 HN GLN 27 7.419 1.912 -7.164 198 HA GLN 27 HA GLN 27 8.474 0.899 -9.621 199 1HB GLN 27 2HB GLN 27 9.645 0.895 -7.546 200 2HB GLN 27 3HB GLN 27 8.466 -0.191 -6.774 201 1HG GLN 27 2HG GLN 27 9.150 -2.031 -8.050 202 2HG GLN 27 3HG GLN 27 9.906 -1.011 -9.291 203 1HE2 GLN 27 2HNE GLN 27 12.298 -2.349 -6.329 204 2HE2 GLN 27 1HNE GLN 27 10.757 -3.102 -6.819 205 H ALA 28 HN ALA 28 5.424 0.458 -8.115 206 HA ALA 28 HA ALA 28 4.937 -2.274 -9.006 207 1HB ALA 28 1HB ALA 28 3.803 -0.726 -7.097 208 2HB ALA 28 2HB ALA 28 2.724 -0.326 -8.462 209 3HB ALA 28 3HB ALA 28 2.926 -1.999 -7.915 210 H GLU 29 HN GLU 29 4.017 1.045 -10.040 211 HA GLU 29 HA GLU 29 2.680 0.345 -12.393 212 1HB GLU 29 2HB GLU 29 4.199 2.858 -11.579 213 2HB GLU 29 3HB GLU 29 3.246 2.738 -13.066 214 1HG GLU 29 2HG GLU 29 1.208 2.294 -11.838 215 2HG GLU 29 3HG GLU 29 2.072 2.167 -10.305 216 H GLU 30 HN GLU 30 6.171 0.965 -11.790 217 HA GLU 30 HA GLU 30 7.158 0.576 -14.383 218 1HB GLU 30 2HB GLU 30 8.380 -0.336 -11.773 219 2HB GLU 30 3HB GLU 30 9.226 -0.269 -13.315 220 1HG GLU 30 2HG GLU 30 7.925 2.235 -12.165 221 2HG GLU 30 3HG GLU 30 9.550 1.716 -11.714 222 H GLU 31 HN GLU 31 5.930 -1.949 -12.203 223 HA GLU 31 HA GLU 31 6.811 -4.068 -14.047 224 1HB GLU 31 2HB GLU 31 4.938 -4.277 -11.671 225 2HB GLU 31 3HB GLU 31 5.826 -5.564 -12.477 226 1HG GLU 31 2HG GLU 31 7.699 -3.481 -11.682 227 2HG GLU 31 3HG GLU 31 6.622 -3.761 -10.348 228 H GLY 32 HN GLY 32 4.048 -2.087 -13.398 229 1HA GLY 32 2HA GLY 32 2.474 -1.765 -15.270 230 2HA GLY 32 3HA GLY 32 2.350 -3.523 -15.428 231 H ILE 33 HN ILE 33 2.592 -2.453 -12.122 232 HA ILE 33 HA ILE 33 -0.085 -3.415 -11.592 233 HB ILE 33 HB ILE 33 1.963 -2.013 -9.908 234 1HG1 ILE 33 2HG1 ILE 33 1.104 -4.885 -10.211 235 2HG1 ILE 33 3HG1 ILE 33 2.621 -4.226 -10.836 236 1HG2 ILE 33 2HG2 ILE 33 -0.386 -1.723 -8.973 237 2HG2 ILE 33 3HG2 ILE 33 -0.480 -3.488 -8.874 238 3HG2 ILE 33 1HG2 ILE 33 0.736 -2.563 -7.955 239 1HD1 ILE 33 HD1 ILE 33 2.076 -4.409 -7.868 240 2HD1 ILE 33 HD2 ILE 33 2.947 -5.600 -8.826 241 3HD1 ILE 33 HD3 ILE 33 3.580 -3.971 -8.696 242 H ASP 34 HN ASP 34 -1.832 -2.301 -12.120 243 HA ASP 34 HA ASP 34 -1.904 0.639 -12.135 244 1HB ASP 34 2HB ASP 34 -3.022 -0.795 -13.877 245 2HB ASP 34 3HB ASP 34 -4.124 -1.381 -12.608 246 H ILE 35 HN ILE 35 -1.356 0.650 -9.676 247 HA ILE 35 HA ILE 35 -3.473 -0.184 -7.958 248 HB ILE 35 HB ILE 35 -0.917 0.743 -7.572 249 1HG1 ILE 35 2HG1 ILE 35 -2.719 -0.037 -5.344 250 2HG1 ILE 35 3HG1 ILE 35 -1.915 -1.091 -6.520 251 1HG2 ILE 35 1HG2 ILE 35 -1.695 3.091 -7.388 252 2HG2 ILE 35 2HG2 ILE 35 -2.661 2.632 -5.967 253 3HG2 ILE 35 3HG2 ILE 35 -0.906 2.509 -5.932 254 1HD1 ILE 35 HD3 ILE 35 0.280 -0.274 -5.788 255 2HD1 ILE 35 HD1 ILE 35 -0.489 0.825 -4.621 256 3HD1 ILE 35 HD2 ILE 35 -0.643 -0.914 -4.416 257 HA PRO 36 HA PRO 36 -6.324 3.095 -8.603 258 1HB PRO 36 2HB PRO 36 -7.773 3.149 -6.283 259 2HB PRO 36 3HB PRO 36 -7.752 1.762 -7.401 260 1HG PRO 36 2HG PRO 36 -6.260 2.004 -4.786 261 2HG PRO 36 3HG PRO 36 -7.101 0.638 -5.501 262 1HD PRO 36 2HD PRO 36 -4.349 1.213 -5.648 263 2HD PRO 36 3HD PRO 36 -5.146 0.052 -6.694 264 H TYR 37 HN TYR 37 -4.313 4.517 -8.669 265 HA TYR 37 HA TYR 37 -3.687 6.373 -6.595 266 1HB TYR 37 2HB TYR 37 -2.313 5.994 -8.570 267 2HB TYR 37 3HB TYR 37 -3.579 6.604 -9.622 268 HD1 TYR 37 HD2 TYR 37 -0.973 7.582 -7.119 269 HD2 TYR 37 HD1 TYR 37 -3.908 9.027 -9.940 270 HE1 TYR 37 HE2 TYR 37 0.352 9.623 -7.478 271 HE2 TYR 37 HE1 TYR 37 -2.727 11.164 -10.067 272 HH TYR 37 HOH TYR 37 -0.928 12.381 -9.364 273 H SER 38 HN SER 38 -5.843 6.687 -5.710 274 HA SER 38 HA SER 38 -7.733 8.402 -7.164 275 1HB SER 38 2HB SER 38 -8.133 6.437 -5.416 276 2HB SER 38 3HB SER 38 -7.947 7.741 -4.232 277 HG SER 38 HOG SER 38 -10.124 7.523 -4.868 278 H CYS 39 HN CYS 39 -4.886 9.287 -6.148 279 HA CYS 39 HA CYS 39 -5.592 11.761 -4.644 280 1HB CYS 39 2HB CYS 39 -3.975 9.388 -3.887 281 2HB CYS 39 3HB CYS 39 -3.853 10.978 -3.017 282 H ARG 40 HN ARG 40 -2.452 10.472 -4.316 283 HA ARG 40 HA ARG 40 -0.870 11.436 -6.361 284 1HB ARG 40 2HB ARG 40 -1.671 13.573 -6.174 285 2HB ARG 40 3HB ARG 40 -1.658 13.565 -4.388 286 1HG ARG 40 2HG ARG 40 0.865 13.424 -4.486 287 2HG ARG 40 3HG ARG 40 0.784 13.553 -6.239 288 1HD ARG 40 2HD ARG 40 0.143 15.797 -6.153 289 2HD ARG 40 3HD ARG 40 -0.593 15.677 -4.565 290 HE ARG 40 HNE ARG 40 2.195 16.236 -5.189 291 1HH1 ARG 40 2HN2 ARG 40 0.117 14.775 -2.763 292 2HH1 ARG 40 1HN2 ARG 40 0.973 15.336 -1.366 293 1HH2 ARG 40 2HN1 ARG 40 3.599 16.756 -3.401 294 2HH2 ARG 40 1HN1 ARG 40 3.141 16.311 -1.786 295 H ALA 41 HN ALA 41 -0.902 11.958 -2.779 296 HA ALA 41 HA ALA 41 0.849 9.922 -2.028 297 1HB ALA 41 3HB ALA 41 2.325 12.385 -3.048 298 2HB ALA 41 1HB ALA 41 3.007 11.315 -1.835 299 3HB ALA 41 2HB ALA 41 2.641 10.675 -3.431 300 H GLY 42 HN GLY 42 -0.267 10.060 -0.044 301 1HA GLY 42 2HA GLY 42 0.154 10.280 2.168 302 2HA GLY 42 3HA GLY 42 1.443 11.423 1.793 303 H SER 43 HN SER 43 0.291 13.600 0.815 304 HA SER 43 HA SER 43 -1.289 14.781 3.013 305 1HB SER 43 2HB SER 43 -0.894 16.832 1.621 306 2HB SER 43 3HB SER 43 0.621 16.019 2.066 307 HG SER 43 HOG SER 43 -0.832 15.738 -0.346 308 H CYS 44 HN CYS 44 -2.941 12.967 2.287 309 HA CYS 44 HA CYS 44 -4.494 13.872 -0.101 310 1HB CYS 44 2HB CYS 44 -4.813 11.613 -0.592 311 2HB CYS 44 3HB CYS 44 -3.137 12.111 -0.730 312 H SER 45 HN SER 45 -5.194 11.345 2.317 313 HA SER 45 HA SER 45 -7.002 11.044 3.653 314 1HB SER 45 2HB SER 45 -7.133 13.676 3.767 315 2HB SER 45 3HB SER 45 -8.540 13.441 2.718 316 HG SER 45 HOG SER 45 -8.075 12.160 5.226 317 H SER 46 HN SER 46 -6.541 9.762 1.325 318 HA SER 46 HA SER 46 -8.998 8.502 0.808 319 1HB SER 46 2HB SER 46 -7.995 10.450 -1.295 320 2HB SER 46 3HB SER 46 -8.767 8.944 -1.807 321 HG SER 46 HOG SER 46 -9.913 10.703 0.096 322 H CYS 47 HN CYS 47 -8.383 6.870 -1.135 323 HA CYS 47 HA CYS 47 -7.650 4.898 -1.044 324 1HB CYS 47 2HB CYS 47 -5.267 4.560 -2.100 325 2HB CYS 47 3HB CYS 47 -6.773 4.890 -2.914 326 H ALA 48 HN ALA 48 -6.216 3.071 -0.664 327 HA ALA 48 HA ALA 48 -4.627 2.887 1.642 328 1HB ALA 48 3HB ALA 48 -7.605 2.619 2.184 329 2HB ALA 48 1HB ALA 48 -6.350 1.921 3.229 330 3HB ALA 48 2HB ALA 48 -6.413 3.661 2.999 331 H GLY 49 HN GLY 49 -4.602 0.643 2.504 332 1HA GLY 49 2HA GLY 49 -5.736 -1.448 0.826 333 2HA GLY 49 3HA GLY 49 -3.976 -1.407 0.992 334 H LYS 50 HN LYS 50 -5.408 -3.609 1.950 335 HA LYS 50 HA LYS 50 -5.461 -3.349 4.878 336 1HB LYS 50 2HB LYS 50 -7.239 -4.394 3.225 337 2HB LYS 50 3HB LYS 50 -6.249 -5.835 3.353 338 1HG LYS 50 2HG LYS 50 -6.742 -6.155 5.621 339 2HG LYS 50 3HG LYS 50 -7.005 -4.427 5.900 340 1HD LYS 50 2HD LYS 50 -9.002 -4.595 4.329 341 2HD LYS 50 3HD LYS 50 -8.916 -6.349 4.576 342 1HE LYS 50 2HE LYS 50 -9.124 -6.047 7.028 343 2HE LYS 50 3HE LYS 50 -9.002 -4.313 6.887 344 1HZ LYS 50 3HNZ LYS 50 -11.252 -5.735 5.631 345 2HZ LYS 50 1HNZ LYS 50 -11.291 -5.079 7.145 346 3HZ LYS 50 2HNZ LYS 50 -11.073 -4.114 5.853 347 H VAL 51 HN VAL 51 -3.678 -3.961 6.012 348 HA VAL 51 HA VAL 51 -1.416 -5.308 4.776 349 HB VAL 51 HB VAL 51 -2.098 -4.695 7.717 350 1HG1 VAL 51 1HG1 VAL 51 0.602 -5.398 6.483 351 2HG1 VAL 51 2HG1 VAL 51 0.304 -4.897 8.162 352 3HG1 VAL 51 3HG1 VAL 51 -0.358 -6.427 7.580 353 1HG2 VAL 51 1HG2 VAL 51 -1.951 -2.648 6.389 354 2HG2 VAL 51 2HG2 VAL 51 -0.621 -2.725 7.543 355 3HG2 VAL 51 3HG2 VAL 51 -0.320 -3.105 5.836 356 H VAL 52 HN VAL 52 -1.543 -7.410 4.284 357 HA VAL 52 HA VAL 52 -3.244 -9.251 5.876 358 HB VAL 52 HB VAL 52 -1.448 -9.671 3.500 359 1HG1 VAL 52 1HG1 VAL 52 -3.496 -11.527 4.787 360 2HG1 VAL 52 2HG1 VAL 52 -2.727 -11.822 3.217 361 3HG1 VAL 52 3HG1 VAL 52 -1.743 -11.801 4.683 362 1HG2 VAL 52 1HG2 VAL 52 -4.465 -9.334 3.654 363 2HG2 VAL 52 2HG2 VAL 52 -3.296 -8.229 2.892 364 3HG2 VAL 52 3HG2 VAL 52 -3.559 -9.831 2.209 365 H SER 53 HN SER 53 0.237 -8.568 5.221 366 HA SER 53 HA SER 53 0.997 -9.792 7.745 367 1HB SER 53 2HB SER 53 0.787 -11.791 6.214 368 2HB SER 53 3HB SER 53 2.036 -11.072 5.175 369 HG SER 53 HOG SER 53 2.906 -12.551 6.720 370 H GLY 54 HN GLY 54 3.645 -10.010 7.390 371 1HA GLY 54 2HA GLY 54 5.606 -8.758 7.401 372 2HA GLY 54 3HA GLY 54 5.018 -8.030 5.914 373 H SER 55 HN SER 55 6.028 -5.954 6.573 374 HA SER 55 HA SER 55 3.969 -4.318 7.705 375 1HB SER 55 2HB SER 55 6.765 -4.244 8.929 376 2HB SER 55 3HB SER 55 5.428 -3.153 9.284 377 HG SER 55 HOG SER 55 4.507 -5.597 9.681 378 H ILE 56 HN ILE 56 4.470 -2.071 7.114 379 HA ILE 56 HA ILE 56 6.731 -1.562 5.362 380 HB ILE 56 HB ILE 56 5.259 -0.328 3.786 381 1HG1 ILE 56 2HG1 ILE 56 2.956 -1.732 5.152 382 2HG1 ILE 56 3HG1 ILE 56 3.257 0.007 5.061 383 1HG2 ILE 56 3HG2 ILE 56 5.786 -3.075 3.781 384 2HG2 ILE 56 1HG2 ILE 56 4.095 -2.968 3.309 385 3HG2 ILE 56 2HG2 ILE 56 5.313 -2.083 2.387 386 1HD1 ILE 56 HD3 ILE 56 3.261 -0.824 2.350 387 2HD1 ILE 56 HD1 ILE 56 1.979 -1.784 3.109 388 3HD1 ILE 56 HD2 ILE 56 1.938 -0.016 3.176 389 H ASP 57 HN ASP 57 7.188 0.778 5.426 390 HA ASP 57 HA ASP 57 6.145 2.027 7.918 391 1HB ASP 57 2HB ASP 57 8.627 1.864 7.680 392 2HB ASP 57 3HB ASP 57 8.525 2.812 6.191 393 H GLN 58 HN GLN 58 4.326 3.095 7.442 394 HA GLN 58 HA GLN 58 4.243 4.867 5.029 395 1HB GLN 58 2HB GLN 58 1.835 4.941 5.600 396 2HB GLN 58 3HB GLN 58 2.405 3.365 5.045 397 1HG GLN 58 2HG GLN 58 2.365 2.482 7.259 398 2HG GLN 58 3HG GLN 58 2.238 4.093 7.986 399 1HE2 GLN 58 2HNE GLN 58 -1.059 2.399 8.123 400 2HE2 GLN 58 1HNE GLN 58 0.560 2.079 8.713 401 H SER 59 HN SER 59 5.991 5.710 7.157 402 HA SER 59 HA SER 59 4.404 7.469 8.860 403 1HB SER 59 2HB SER 59 6.719 6.181 9.293 404 2HB SER 59 3HB SER 59 7.379 7.724 8.737 405 HG SER 59 HOG SER 59 5.569 7.184 10.873 406 H ASP 60 HN ASP 60 4.971 7.864 5.683 407 HA ASP 60 HA ASP 60 5.734 10.736 5.781 408 1HB ASP 60 2HB ASP 60 5.653 8.651 3.565 409 2HB ASP 60 3HB ASP 60 5.958 10.375 3.291 410 H GLN 61 HN GLN 61 2.853 9.360 6.248 411 HA GLN 61 HA GLN 61 1.387 11.149 4.336 412 1HB GLN 61 2HB GLN 61 -0.429 9.610 4.588 413 2HB GLN 61 3HB GLN 61 1.072 8.710 4.322 414 1HG GLN 61 2HG GLN 61 1.161 8.582 6.988 415 2HG GLN 61 3HG GLN 61 -0.535 9.074 6.905 416 1HE2 GLN 61 2HNE GLN 61 -1.003 5.522 6.798 417 2HE2 GLN 61 1HNE GLN 61 -1.123 6.925 7.864 418 H SER 62 HN SER 62 -0.834 11.779 5.220 419 HA SER 62 HA SER 62 -1.022 11.863 8.155 420 1HB SER 62 2HB SER 62 -0.028 14.066 7.639 421 2HB SER 62 3HB SER 62 -1.357 14.405 6.507 422 HG SER 62 HOG SER 62 -2.791 14.190 8.276 423 H PHE 63 HN PHE 63 -2.354 10.033 7.209 424 HA PHE 63 HA PHE 63 -5.102 11.033 6.956 425 1HB PHE 63 2HB PHE 63 -4.626 10.695 4.658 426 2HB PHE 63 3HB PHE 63 -3.878 9.124 4.962 427 HD1 PHE 63 HD2 PHE 63 -7.105 9.971 6.685 428 HD2 PHE 63 HD1 PHE 63 -5.256 8.173 3.188 429 HE1 PHE 63 HE2 PHE 63 -9.141 8.713 6.237 430 HE2 PHE 63 HE1 PHE 63 -7.337 6.984 2.739 431 HZ PHE 63 HZ PHE 63 -9.333 7.320 4.181 432 H LEU 64 HN LEU 64 -3.853 7.618 6.660 433 HA LEU 64 HA LEU 64 -6.027 6.703 7.983 434 1HB LEU 64 2HB LEU 64 -3.291 5.411 7.841 435 2HB LEU 64 3HB LEU 64 -4.592 4.681 8.717 436 HG LEU 64 HG LEU 64 -6.047 4.839 6.633 437 1HD1 LEU 64 2HD1 LEU 64 -3.302 5.274 5.373 438 2HD1 LEU 64 3HD1 LEU 64 -4.758 4.775 4.485 439 3HD1 LEU 64 1HD1 LEU 64 -4.704 6.365 5.254 440 1HD2 LEU 64 1HD2 LEU 64 -3.570 3.095 6.749 441 2HD2 LEU 64 2HD2 LEU 64 -5.122 2.799 7.561 442 3HD2 LEU 64 3HD2 LEU 64 -5.031 2.735 5.788 443 H ASP 65 HN ASP 65 -6.689 6.235 10.015 444 HA ASP 65 HA ASP 65 -5.168 7.507 12.238 445 1HB ASP 65 2HB ASP 65 -8.012 6.572 11.907 446 2HB ASP 65 3HB ASP 65 -7.320 6.650 13.520 447 H ASP 66 HN ASP 66 -5.262 6.324 14.286 448 HA ASP 66 HA ASP 66 -3.478 4.097 14.183 449 1HB ASP 66 2HB ASP 66 -5.171 5.361 16.387 450 2HB ASP 66 3HB ASP 66 -4.289 3.857 16.660 451 H GLU 67 HN GLU 67 -6.986 4.382 14.669 452 HA GLU 67 HA GLU 67 -7.623 1.761 15.262 453 1HB GLU 67 2HB GLU 67 -9.468 3.237 13.364 454 2HB GLU 67 3HB GLU 67 -9.800 2.354 14.850 455 1HG GLU 67 2HG GLU 67 -8.640 4.336 16.033 456 2HG GLU 67 3HG GLU 67 -8.827 5.177 14.476 457 H GLN 68 HN GLN 68 -7.748 3.256 11.982 458 HA GLN 68 HA GLN 68 -8.151 0.952 10.526 459 1HB GLN 68 2HB GLN 68 -6.623 3.459 9.778 460 2HB GLN 68 3HB GLN 68 -7.220 2.261 8.629 461 1HG GLN 68 2HG GLN 68 -9.488 2.599 9.161 462 2HG GLN 68 3HG GLN 68 -9.125 3.591 10.571 463 1HE2 GLN 68 2HNE GLN 68 -10.059 5.683 7.637 464 2HE2 GLN 68 1HNE GLN 68 -10.798 4.281 8.372 465 H MET 69 HN MET 69 -4.914 2.462 11.323 466 HA MET 69 HA MET 69 -3.349 0.498 10.059 467 1HB MET 69 2HB MET 69 -2.769 2.018 12.628 468 2HB MET 69 3HB MET 69 -1.612 1.116 11.649 469 1HG MET 69 2HG MET 69 -2.184 2.683 9.702 470 2HG MET 69 3HG MET 69 -3.123 3.597 10.807 471 1HE MET 69 HE1 MET 69 -1.331 5.310 9.447 472 2HE MET 69 HE2 MET 69 -1.987 5.864 11.011 473 3HE MET 69 HE3 MET 69 -0.264 6.093 10.645 474 H ASP 70 HN ASP 70 -4.384 0.505 13.498 475 HA ASP 70 HA ASP 70 -3.264 -1.974 14.259 476 1HB ASP 70 2HB ASP 70 -4.151 -0.215 15.816 477 2HB ASP 70 3HB ASP 70 -5.787 -0.581 15.274 478 H ALA 71 HN ALA 71 -6.372 -1.101 12.911 479 HA ALA 71 HA ALA 71 -7.743 -3.587 13.123 480 1HB ALA 71 2HB ALA 71 -8.044 -1.246 11.221 481 2HB ALA 71 3HB ALA 71 -9.240 -2.554 11.378 482 3HB ALA 71 1HB ALA 71 -8.903 -1.472 12.751 483 H GLY 72 HN GLY 72 -5.229 -2.544 10.901 484 1HA GLY 72 2HA GLY 72 -4.014 -4.334 9.849 485 2HA GLY 72 3HA GLY 72 -5.516 -5.107 9.396 486 H TYR 73 HN TYR 73 -5.163 -1.556 9.177 487 HA TYR 73 HA TYR 73 -5.089 -1.834 6.214 488 1HB TYR 73 2HB TYR 73 -6.221 0.373 7.902 489 2HB TYR 73 3HB TYR 73 -6.087 0.359 6.154 490 HD1 TYR 73 HD2 TYR 73 -7.132 -1.515 4.800 491 HD2 TYR 73 HD1 TYR 73 -8.168 -0.709 8.902 492 HE1 TYR 73 HE2 TYR 73 -9.401 -2.298 4.372 493 HE2 TYR 73 HE1 TYR 73 -10.463 -1.495 8.474 494 HH TYR 73 HOH TYR 73 -12.023 -1.680 6.131 495 H VAL 74 HN VAL 74 -4.080 0.019 5.083 496 HA VAL 74 HA VAL 74 -1.991 1.504 6.437 497 HB VAL 74 HB VAL 74 -1.028 -0.749 6.169 498 1HG1 VAL 74 1HG1 VAL 74 -2.207 -1.484 4.088 499 2HG1 VAL 74 2HG1 VAL 74 -1.270 -0.296 3.155 500 3HG1 VAL 74 3HG1 VAL 74 -0.453 -1.645 3.956 501 1HG2 VAL 74 3HG2 VAL 74 0.374 1.332 4.531 502 2HG2 VAL 74 1HG2 VAL 74 0.484 0.983 6.278 503 3HG2 VAL 74 2HG2 VAL 74 1.012 -0.219 5.153 504 H LEU 75 HN LEU 75 -1.120 3.113 4.878 505 HA LEU 75 HA LEU 75 -2.912 3.846 2.737 506 1HB LEU 75 2HB LEU 75 -1.284 5.218 4.152 507 2HB LEU 75 3HB LEU 75 -0.013 4.666 3.053 508 HG LEU 75 HG LEU 75 -1.668 5.566 1.207 509 1HD1 LEU 75 3HD1 LEU 75 -2.623 6.998 3.761 510 2HD1 LEU 75 1HD1 LEU 75 -2.974 7.597 2.149 511 3HD1 LEU 75 2HD1 LEU 75 -3.627 6.030 2.653 512 1HD2 LEU 75 2HD2 LEU 75 0.556 6.623 1.938 513 2HD2 LEU 75 3HD2 LEU 75 -0.636 7.691 1.167 514 3HD2 LEU 75 1HD2 LEU 75 -0.423 7.722 2.921 515 H THR 76 HN THR 76 -2.844 3.003 0.612 516 HA THR 76 HA THR 76 -1.092 0.719 0.104 517 HB THR 76 HB THR 76 -3.402 0.867 -0.761 518 HG1 THR 76 HG1 THR 76 -1.334 0.558 -2.645 519 1HG2 THR 76 2HG2 THR 76 -3.356 3.303 -1.493 520 2HG2 THR 76 3HG2 THR 76 -2.357 2.790 -2.867 521 3HG2 THR 76 1HG2 THR 76 -3.999 2.162 -2.686 522 H CYS 77 HN CYS 77 -1.344 4.116 -0.824 523 HA CYS 77 HA CYS 77 1.113 4.240 -2.325 524 1HB CYS 77 2HB CYS 77 -0.621 6.385 -1.095 525 2HB CYS 77 3HB CYS 77 0.479 6.603 -2.459 526 H HIS 78 HN HIS 78 2.424 6.315 -1.530 527 HA HIS 78 HA HIS 78 4.227 6.732 -0.172 528 1HB HIS 78 2HB HIS 78 1.835 8.142 0.306 529 2HB HIS 78 3HB HIS 78 2.550 7.945 1.896 530 HD1 HIS 78 HND HIS 78 3.737 10.249 2.336 531 HD2 HIS 78 HD HIS 78 4.289 8.697 -1.550 532 HE1 HIS 78 HE HIS 78 5.311 11.824 1.136 533 H ALA 79 HN ALA 79 4.231 4.219 0.147 534 HA ALA 79 HA ALA 79 4.674 3.694 3.036 535 1HB ALA 79 1HB ALA 79 3.140 1.983 1.029 536 2HB ALA 79 2HB ALA 79 3.672 1.467 2.645 537 3HB ALA 79 3HB ALA 79 2.476 2.768 2.479 538 H TYR 80 HN TYR 80 6.621 2.737 3.341 539 HA TYR 80 HA TYR 80 8.160 1.705 1.008 540 1HB TYR 80 2HB TYR 80 8.869 2.848 3.726 541 2HB TYR 80 3HB TYR 80 10.018 1.917 2.796 542 HD1 TYR 80 HD1 TYR 80 8.343 3.633 0.222 543 HD2 TYR 80 HD2 TYR 80 11.279 4.139 3.327 544 HE1 TYR 80 HE1 TYR 80 9.269 5.549 -0.939 545 HE2 TYR 80 HE2 TYR 80 11.873 6.337 2.399 546 HH TYR 80 HOH TYR 80 11.543 7.811 0.624 547 HA PRO 81 HA PRO 81 7.555 -2.316 2.856 548 1HB PRO 81 2HB PRO 81 8.858 -3.751 0.839 549 2HB PRO 81 3HB PRO 81 7.143 -3.257 0.841 550 1HG PRO 81 2HG PRO 81 9.415 -2.137 -0.719 551 2HG PRO 81 3HG PRO 81 7.662 -2.018 -0.994 552 1HD PRO 81 2HD PRO 81 9.261 0.012 0.025 553 2HD PRO 81 3HD PRO 81 7.494 -0.055 -0.034 554 H THR 82 HN THR 82 8.749 -2.497 4.743 555 HA THR 82 HA THR 82 11.653 -2.175 4.608 556 HB THR 82 HB THR 82 11.450 -2.362 7.062 557 HG1 THR 82 HG1 THR 82 9.354 -2.547 7.932 558 1HG2 THR 82 3HG2 THR 82 11.062 -0.152 5.913 559 2HG2 THR 82 1HG2 THR 82 9.323 -0.483 5.935 560 3HG2 THR 82 2HG2 THR 82 10.212 -0.304 7.458 561 H SER 83 HN SER 83 9.391 -4.778 4.405 562 HA SER 83 HA SER 83 11.506 -6.686 4.225 563 1HB SER 83 2HB SER 83 9.411 -6.933 6.437 564 2HB SER 83 3HB SER 83 10.412 -8.290 5.897 565 HG SER 83 HOG SER 83 11.840 -6.000 6.485 566 H ASP 84 HN ASP 84 10.157 -9.005 3.893 567 HA ASP 84 HA ASP 84 8.534 -8.630 1.572 568 1HB ASP 84 2HB ASP 84 8.065 -11.070 1.957 569 2HB ASP 84 3HB ASP 84 9.791 -10.675 1.858 570 H VAL 85 HN VAL 85 6.367 -8.555 1.426 571 HA VAL 85 HA VAL 85 4.694 -8.495 3.843 572 HB VAL 85 HB VAL 85 5.813 -6.451 4.137 573 1HG1 VAL 85 1HG1 VAL 85 6.544 -6.231 1.629 574 2HG1 VAL 85 2HG1 VAL 85 5.057 -5.279 1.464 575 3HG1 VAL 85 3HG1 VAL 85 6.319 -4.805 2.611 576 1HG2 VAL 85 2HG2 VAL 85 3.292 -6.432 4.367 577 2HG2 VAL 85 3HG2 VAL 85 4.108 -4.892 4.312 578 3HG2 VAL 85 1HG2 VAL 85 3.235 -5.493 2.876 579 H VAL 86 HN VAL 86 2.492 -8.327 3.570 580 HA VAL 86 HA VAL 86 1.559 -8.827 0.772 581 HB VAL 86 HB VAL 86 0.726 -10.315 3.294 582 1HG1 VAL 86 3HG1 VAL 86 -1.010 -10.007 1.370 583 2HG1 VAL 86 1HG1 VAL 86 0.085 -11.002 0.421 584 3HG1 VAL 86 2HG1 VAL 86 -0.646 -11.672 1.875 585 1HG2 VAL 86 2HG2 VAL 86 2.466 -11.219 0.952 586 2HG2 VAL 86 3HG2 VAL 86 2.967 -11.087 2.649 587 3HG2 VAL 86 1HG2 VAL 86 1.778 -12.307 2.174 588 H ILE 87 HN ILE 87 0.062 -7.304 0.273 589 HA ILE 87 HA ILE 87 -1.741 -6.380 2.389 590 HB ILE 87 HB ILE 87 -0.123 -4.744 2.466 591 1HG1 ILE 87 2HG1 ILE 87 -2.539 -3.878 1.952 592 2HG1 ILE 87 3HG1 ILE 87 -1.172 -2.764 2.005 593 1HG2 ILE 87 3HG2 ILE 87 0.163 -4.738 -0.490 594 2HG2 ILE 87 1HG2 ILE 87 0.852 -3.515 0.602 595 3HG2 ILE 87 2HG2 ILE 87 1.372 -5.206 0.724 596 1HD1 ILE 87 HD2 ILE 87 -1.962 -4.071 -0.581 597 2HD1 ILE 87 HD3 ILE 87 -2.695 -2.566 -0.053 598 3HD1 ILE 87 HD1 ILE 87 -0.959 -2.633 -0.309 599 H GLU 88 HN GLU 88 -3.769 -5.677 1.599 600 HA GLU 88 HA GLU 88 -4.438 -6.491 -1.200 601 1HB GLU 88 2HB GLU 88 -6.324 -5.565 0.928 602 2HB GLU 88 3HB GLU 88 -6.720 -6.478 -0.541 603 1HG GLU 88 2HG GLU 88 -5.782 -8.486 0.484 604 2HG GLU 88 3HG GLU 88 -5.233 -7.547 1.881 605 H THR 89 HN THR 89 -4.851 -4.878 -2.707 606 HA THR 89 HA THR 89 -4.611 -2.042 -1.750 607 HB THR 89 HB THR 89 -4.136 -1.410 -4.047 608 HG1 THR 89 HG1 THR 89 -4.865 -4.063 -4.715 609 1HG2 THR 89 1HG2 THR 89 -2.705 -4.017 -3.423 610 2HG2 THR 89 2HG2 THR 89 -2.231 -2.768 -4.587 611 3HG2 THR 89 3HG2 THR 89 -2.261 -2.394 -2.853 612 H HIS 90 HN HIS 90 -6.177 -0.506 -3.124 613 HA HIS 90 HA HIS 90 -8.269 0.219 -3.615 614 1HB HIS 90 2HB HIS 90 -9.028 -2.699 -4.098 615 2HB HIS 90 3HB HIS 90 -9.937 -1.273 -4.573 616 HD1 HIS 90 HND HIS 90 -6.161 -1.869 -5.266 617 HD2 HIS 90 HD HIS 90 -9.895 -1.493 -7.166 618 HE1 HIS 90 HE HIS 90 -5.699 -2.008 -7.722 619 H LYS 91 HN LYS 91 -7.767 0.258 -0.976 620 HA LYS 91 HA LYS 91 -10.323 -0.719 0.271 621 1HB LYS 91 2HB LYS 91 -7.628 -0.377 1.588 622 2HB LYS 91 3HB LYS 91 -9.070 -1.066 2.305 623 1HG LYS 91 2HG LYS 91 -7.635 -2.268 -0.119 624 2HG LYS 91 3HG LYS 91 -7.488 -2.828 1.540 625 1HD LYS 91 2HD LYS 91 -9.643 -3.478 1.738 626 2HD LYS 91 3HD LYS 91 -10.189 -2.709 0.271 627 1HE LYS 91 2HE LYS 91 -9.390 -4.172 -1.202 628 2HE LYS 91 3HE LYS 91 -8.097 -4.734 -0.144 629 1HZ LYS 91 2HNZ LYS 91 -10.886 -5.225 0.589 630 2HZ LYS 91 3HNZ LYS 91 -10.130 -6.230 -0.494 631 3HZ LYS 91 1HNZ LYS 91 -9.506 -6.084 1.006 632 H GLU 92 HN GLU 92 -9.579 1.916 -1.061 633 HA GLU 92 HA GLU 92 -9.574 4.026 0.766 634 1HB GLU 92 2HB GLU 92 -9.511 4.159 -1.761 635 2HB GLU 92 3HB GLU 92 -11.210 3.774 -1.836 636 1HG GLU 92 2HG GLU 92 -10.566 6.047 -0.012 637 2HG GLU 92 3HG GLU 92 -10.195 6.311 -1.734 638 H GLU 93 HN GLU 93 -12.540 2.698 -0.751 639 HA GLU 93 HA GLU 93 -14.119 3.698 1.386 640 1HB GLU 93 2HB GLU 93 -16.010 2.835 0.011 641 2HB GLU 93 3HB GLU 93 -14.853 3.776 -0.931 642 1HG GLU 93 2HG GLU 93 -13.829 1.590 -1.750 643 2HG GLU 93 3HG GLU 93 -15.118 0.739 -0.888 644 H GLU 94 HN GLU 94 -12.158 1.477 2.097 645 HA GLU 94 HA GLU 94 -14.090 -0.294 3.521 646 1HB GLU 94 2HB GLU 94 -11.293 -0.923 2.494 647 2HB GLU 94 3HB GLU 94 -12.102 -1.798 3.783 648 1HG GLU 94 2HG GLU 94 -14.040 -2.092 1.990 649 2HG GLU 94 3HG GLU 94 -12.716 -1.830 0.853 650 H ILE 95 HN ILE 95 -11.400 2.078 3.715 651 HA ILE 95 HA ILE 95 -11.037 1.419 6.522 652 HB ILE 95 HB ILE 95 -9.312 3.070 6.532 653 1HG1 ILE 95 2HG1 ILE 95 -9.594 3.373 3.534 654 2HG1 ILE 95 3HG1 ILE 95 -10.353 4.502 4.679 655 1HG2 ILE 95 2HG2 ILE 95 -8.945 0.780 6.003 656 2HG2 ILE 95 3HG2 ILE 95 -9.047 1.052 4.258 657 3HG2 ILE 95 1HG2 ILE 95 -7.732 1.780 5.211 658 1HD1 ILE 95 HD1 ILE 95 -7.425 3.943 4.909 659 2HD1 ILE 95 HD2 ILE 95 -8.116 5.131 3.783 660 3HD1 ILE 95 HD3 ILE 95 -8.390 5.287 5.541 661 H VAL 96 HN VAL 96 -12.548 3.989 4.611 662 HA VAL 96 HA VAL 96 -13.014 5.596 7.025 663 HB VAL 96 HB VAL 96 -14.087 7.169 5.540 664 1HG1 VAL 96 2HG1 VAL 96 -11.536 7.100 5.796 665 2HG1 VAL 96 3HG1 VAL 96 -11.494 6.304 4.209 666 3HG1 VAL 96 1HG1 VAL 96 -12.149 7.930 4.359 667 1HG2 VAL 96 3HG2 VAL 96 -15.127 5.632 3.904 668 2HG2 VAL 96 1HG2 VAL 96 -14.140 6.861 3.098 669 3HG2 VAL 96 2HG2 VAL 96 -13.528 5.210 3.266 No H/Q in entry = 668 Start of MODEL 9 1 1H ALA 1 1HN ALA 1 14.537 -3.546 1.018 2 2H ALA 1 2HN ALA 1 15.849 -3.117 1.834 3 2H ALA 1 3HN ALA 1 15.849 -3.117 1.834 4 HA ALA 1 HA ALA 1 16.463 -3.275 -0.364 5 1HB ALA 1 1HB ALA 1 18.039 -4.152 1.196 6 2HB ALA 1 2HB ALA 1 17.300 -5.776 1.082 7 3HB ALA 1 3HB ALA 1 18.090 -5.049 -0.352 8 H THR 2 HN THR 2 14.488 -3.361 -1.454 9 HA THR 2 HA THR 2 13.002 -4.204 -2.986 10 HB THR 2 HB THR 2 15.561 -5.668 -3.655 11 HG1 THR 2 HG1 THR 2 14.605 -3.062 -4.334 12 1HG2 THR 2 1HG2 THR 2 13.222 -4.758 -5.400 13 2HG2 THR 2 2HG2 THR 2 14.822 -5.221 -6.016 14 3HG2 THR 2 3HG2 THR 2 13.827 -6.417 -5.178 15 H TYR 3 HN TYR 3 11.565 -5.126 -1.532 16 HA TYR 3 HA TYR 3 11.773 -8.053 -1.077 17 1HB TYR 3 2HB TYR 3 9.910 -5.982 0.120 18 2HB TYR 3 3HB TYR 3 10.087 -7.653 0.630 19 HD1 TYR 3 HD1 TYR 3 12.638 -8.363 1.225 20 HD2 TYR 3 HD2 TYR 3 11.145 -4.318 1.200 21 HE1 TYR 3 HE1 TYR 3 14.333 -7.721 2.918 22 HE2 TYR 3 HE2 TYR 3 12.768 -3.713 2.952 23 HH TYR 3 HOH TYR 3 13.795 -4.936 4.848 24 H ASN 4 HN ASN 4 9.783 -9.297 -1.032 25 HA ASN 4 HA ASN 4 8.467 -9.215 -3.637 26 1HB ASN 4 2HB ASN 4 9.618 -11.160 -2.612 27 2HB ASN 4 3HB ASN 4 8.448 -11.213 -1.312 28 1HD2 ASN 4 2HND ASN 4 5.825 -12.457 -3.473 29 2HD2 ASN 4 1HND ASN 4 6.132 -11.261 -2.208 30 H VAL 5 HN VAL 5 6.944 -7.435 -3.340 31 HA VAL 5 HA VAL 5 5.250 -7.515 -0.895 32 HB VAL 5 HB VAL 5 5.589 -5.375 -3.020 33 1HG1 VAL 5 2HG1 VAL 5 3.654 -5.660 -0.713 34 2HG1 VAL 5 3HG1 VAL 5 4.347 -4.067 -1.055 35 3HG1 VAL 5 1HG1 VAL 5 3.439 -4.936 -2.295 36 1HG2 VAL 5 2HG2 VAL 5 6.700 -5.823 -0.230 37 2HG2 VAL 5 3HG2 VAL 5 7.565 -5.487 -1.727 38 3HG2 VAL 5 1HG2 VAL 5 6.602 -4.212 -0.960 39 H LYS 6 HN LYS 6 3.664 -9.146 -1.176 40 HA LYS 6 HA LYS 6 2.273 -9.351 -3.690 41 1HB LYS 6 2HB LYS 6 2.436 -11.228 -2.154 42 2HB LYS 6 3HB LYS 6 1.356 -10.374 -1.027 43 1HG LYS 6 2HG LYS 6 -0.331 -10.146 -2.955 44 2HG LYS 6 3HG LYS 6 0.756 -11.133 -3.936 45 1HD LYS 6 2HD LYS 6 -0.726 -11.927 -1.387 46 2HD LYS 6 3HD LYS 6 -1.096 -12.330 -3.050 47 1HE LYS 6 2HE LYS 6 1.342 -13.309 -3.131 48 2HE LYS 6 3HE LYS 6 1.262 -13.260 -1.369 49 1HZ LYS 6 1HNZ LYS 6 -0.727 -14.573 -3.154 50 2HZ LYS 6 2HNZ LYS 6 0.482 -15.403 -2.394 51 3HZ LYS 6 3HNZ LYS 6 -0.725 -14.677 -1.528 52 H LEU 7 HN LEU 7 0.722 -8.166 -4.495 53 HA LEU 7 HA LEU 7 -1.014 -6.534 -2.718 54 1HB LEU 7 2HB LEU 7 -0.315 -6.347 -5.646 55 2HB LEU 7 3HB LEU 7 -1.464 -5.290 -4.866 56 HG LEU 7 HG LEU 7 1.546 -5.479 -4.549 57 1HD1 LEU 7 1HD1 LEU 7 0.554 -4.346 -6.484 58 2HD1 LEU 7 2HD1 LEU 7 -0.302 -3.226 -5.422 59 3HD1 LEU 7 3HD1 LEU 7 1.474 -3.203 -5.470 60 1HD2 LEU 7 2HD2 LEU 7 -0.382 -3.908 -2.806 61 2HD2 LEU 7 3HD2 LEU 7 0.923 -5.031 -2.339 62 3HD2 LEU 7 1HD2 LEU 7 1.321 -3.452 -3.019 63 H ILE 8 HN ILE 8 -2.711 -7.782 -2.181 64 HA ILE 8 HA ILE 8 -3.907 -9.659 -4.101 65 HB ILE 8 HB ILE 8 -4.567 -8.791 -1.301 66 1HG1 ILE 8 2HG1 ILE 8 -3.819 -11.559 -2.144 67 2HG1 ILE 8 3HG1 ILE 8 -2.560 -10.348 -1.857 68 1HG2 ILE 8 3HG2 ILE 8 -5.988 -10.806 -3.091 69 2HG2 ILE 8 1HG2 ILE 8 -6.280 -10.619 -1.351 70 3HG2 ILE 8 2HG2 ILE 8 -6.683 -9.303 -2.450 71 1HD1 ILE 8 HD1 ILE 8 -4.659 -11.148 0.186 72 2HD1 ILE 8 HD2 ILE 8 -2.970 -11.682 0.146 73 3HD1 ILE 8 HD3 ILE 8 -3.345 -9.964 0.395 74 H THR 9 HN THR 9 -4.316 -8.285 -5.845 75 HA THR 9 HA THR 9 -6.043 -5.977 -5.504 76 HB THR 9 HB THR 9 -5.852 -5.927 -7.957 77 HG1 THR 9 HG1 THR 9 -5.457 -8.263 -8.236 78 1HG2 THR 9 1HG2 THR 9 -3.184 -6.302 -6.502 79 2HG2 THR 9 2HG2 THR 9 -3.379 -5.541 -8.086 80 3HG2 THR 9 3HG2 THR 9 -4.098 -4.771 -6.660 81 HA PRO 10 HA PRO 10 -9.905 -8.094 -6.007 82 1HB PRO 10 2HB PRO 10 -10.529 -6.280 -8.297 83 2HB PRO 10 3HB PRO 10 -11.479 -6.642 -6.817 84 1HG PRO 10 2HG PRO 10 -10.149 -4.360 -7.077 85 2HG PRO 10 3HG PRO 10 -10.162 -5.203 -5.511 86 1HD PRO 10 2HD PRO 10 -7.985 -5.084 -7.470 87 2HD PRO 10 3HD PRO 10 -7.930 -5.109 -5.730 88 H ASP 11 HN ASP 11 -8.166 -7.362 -8.997 89 HA ASP 11 HA ASP 11 -9.109 -9.066 -10.943 90 1HB ASP 11 2HB ASP 11 -6.348 -8.014 -10.159 91 2HB ASP 11 3HB ASP 11 -6.575 -9.015 -11.575 92 H GLY 12 HN GLY 12 -7.096 -9.702 -8.164 93 1HA GLY 12 2HA GLY 12 -7.220 -11.712 -7.116 94 2HA GLY 12 3HA GLY 12 -7.133 -12.647 -8.636 95 H GLU 13 HN GLU 13 -5.367 -10.199 -6.787 96 HA GLU 13 HA GLU 13 -3.248 -9.939 -6.066 97 1HB GLU 13 2HB GLU 13 -2.871 -12.749 -7.015 98 2HB GLU 13 3HB GLU 13 -1.696 -11.843 -6.075 99 1HG GLU 13 2HG GLU 13 -3.031 -11.795 -4.164 100 2HG GLU 13 3HG GLU 13 -4.490 -12.338 -5.012 101 H VAL 14 HN VAL 14 -1.056 -9.617 -6.709 102 HA VAL 14 HA VAL 14 -0.396 -10.108 -9.535 103 HB VAL 14 HB VAL 14 -1.409 -7.971 -9.599 104 1HG1 VAL 14 3HG1 VAL 14 -1.146 -7.130 -7.413 105 2HG1 VAL 14 1HG1 VAL 14 0.603 -6.817 -7.690 106 3HG1 VAL 14 2HG1 VAL 14 -0.632 -5.957 -8.621 107 1HG2 VAL 14 3HG2 VAL 14 0.627 -8.504 -11.036 108 2HG2 VAL 14 1HG2 VAL 14 0.266 -6.783 -10.824 109 3HG2 VAL 14 2HG2 VAL 14 1.581 -7.528 -9.888 110 H GLU 15 HN GLU 15 0.926 -8.514 -6.671 111 HA GLU 15 HA GLU 15 2.868 -8.718 -5.560 112 1HB GLU 15 2HB GLU 15 2.401 -11.279 -5.873 113 2HB GLU 15 3HB GLU 15 3.681 -11.210 -7.090 114 1HG GLU 15 2HG GLU 15 4.090 -10.394 -4.200 115 2HG GLU 15 3HG GLU 15 4.392 -12.001 -4.869 116 H PHE 16 HN PHE 16 5.107 -8.107 -5.744 117 HA PHE 16 HA PHE 16 6.397 -7.790 -8.177 118 1HB PHE 16 2HB PHE 16 6.135 -5.680 -8.893 119 2HB PHE 16 3HB PHE 16 4.502 -6.172 -8.651 120 HD1 PHE 16 HD1 PHE 16 3.696 -5.689 -6.046 121 HD2 PHE 16 HD2 PHE 16 7.005 -3.739 -7.986 122 HE1 PHE 16 HE1 PHE 16 3.630 -3.911 -4.392 123 HE2 PHE 16 HE2 PHE 16 6.905 -1.946 -6.365 124 HZ PHE 16 HZ PHE 16 5.105 -1.885 -4.640 125 H LYS 17 HN LYS 17 8.337 -6.342 -7.986 126 HA LYS 17 HA LYS 17 9.319 -6.771 -5.236 127 1HB LYS 17 2HB LYS 17 10.503 -7.073 -7.822 128 2HB LYS 17 3HB LYS 17 11.366 -5.793 -6.983 129 1HG LYS 17 2HG LYS 17 12.439 -7.906 -6.423 130 2HG LYS 17 3HG LYS 17 11.644 -7.207 -5.011 131 1HD LYS 17 2HD LYS 17 10.856 -9.287 -4.704 132 2HD LYS 17 3HD LYS 17 9.599 -8.756 -5.834 133 1HE LYS 17 2HE LYS 17 12.115 -10.264 -6.670 134 2HE LYS 17 3HE LYS 17 10.572 -11.035 -6.274 135 1HZ LYS 17 2HNZ LYS 17 10.910 -9.037 -8.405 136 2HZ LYS 17 3HNZ LYS 17 10.794 -10.666 -8.630 137 3HZ LYS 17 1HNZ LYS 17 9.519 -9.827 -8.015 138 H CYS 18 HN CYS 18 9.370 -5.216 -3.825 139 HA CYS 18 HA CYS 18 9.333 -2.367 -4.819 140 1HB CYS 18 2HB CYS 18 7.191 -3.213 -3.825 141 2HB CYS 18 3HB CYS 18 8.072 -3.240 -2.295 142 HG CYS 18 HSG CYS 18 8.928 -0.708 -2.452 143 H ASP 19 HN ASP 19 11.156 -1.384 -4.437 144 HA ASP 19 HA ASP 19 13.099 -2.162 -2.502 145 1HB ASP 19 2HB ASP 19 12.766 0.561 -3.789 146 2HB ASP 19 3HB ASP 19 14.187 -0.080 -2.980 147 H ASP 20 HN ASP 20 13.540 -1.364 -0.546 148 HA ASP 20 HA ASP 20 11.460 -0.410 1.214 149 1HB ASP 20 2HB ASP 20 13.622 0.043 2.700 150 2HB ASP 20 3HB ASP 20 13.013 -1.564 2.406 151 H ASP 21 HN ASP 21 13.828 1.068 -0.832 152 HA ASP 21 HA ASP 21 13.423 3.759 0.290 153 1HB ASP 21 2HB ASP 21 15.117 2.685 -2.008 154 2HB ASP 21 3HB ASP 21 15.036 4.382 -1.534 155 H VAL 22 HN VAL 22 11.543 1.873 -1.840 156 HA VAL 22 HA VAL 22 10.671 4.339 -3.274 157 HB VAL 22 HB VAL 22 11.912 2.587 -4.698 158 1HG1 VAL 22 1HG1 VAL 22 10.485 0.631 -3.759 159 2HG1 VAL 22 2HG1 VAL 22 9.176 1.239 -4.765 160 3HG1 VAL 22 3HG1 VAL 22 10.702 0.713 -5.505 161 1HG2 VAL 22 3HG2 VAL 22 10.574 4.484 -5.569 162 2HG2 VAL 22 1HG2 VAL 22 10.444 3.037 -6.585 163 3HG2 VAL 22 2HG2 VAL 22 9.115 3.466 -5.488 164 H TYR 23 HN TYR 23 8.449 4.572 -3.630 165 HA TYR 23 HA TYR 23 6.925 3.507 -1.455 166 1HB TYR 23 2HB TYR 23 6.034 5.080 -3.890 167 2HB TYR 23 3HB TYR 23 5.064 4.709 -2.469 168 HD1 TYR 23 HD1 TYR 23 6.573 5.321 -0.132 169 HD2 TYR 23 HD2 TYR 23 6.605 7.362 -3.937 170 HE1 TYR 23 HE1 TYR 23 6.945 7.475 1.019 171 HE2 TYR 23 HE2 TYR 23 7.154 9.476 -2.788 172 HH TYR 23 HOH TYR 23 7.664 10.474 -0.747 173 H VAL 24 HN VAL 24 5.126 2.102 -1.517 174 HA VAL 24 HA VAL 24 5.187 0.063 -3.573 175 HB VAL 24 HB VAL 24 2.932 0.408 -1.567 176 1HG1 VAL 24 3HG1 VAL 24 2.938 -1.489 -3.338 177 2HG1 VAL 24 1HG1 VAL 24 4.384 -2.101 -2.501 178 3HG1 VAL 24 2HG1 VAL 24 2.835 -2.013 -1.644 179 1HG2 VAL 24 3HG2 VAL 24 5.692 -0.659 -0.997 180 2HG2 VAL 24 1HG2 VAL 24 4.802 0.609 -0.119 181 3HG2 VAL 24 2HG2 VAL 24 4.267 -1.062 -0.006 182 H LEU 25 HN LEU 25 4.858 2.031 -5.085 183 HA LEU 25 HA LEU 25 2.394 1.559 -6.476 184 1HB LEU 25 2HB LEU 25 1.431 3.098 -4.991 185 2HB LEU 25 3HB LEU 25 2.728 4.297 -5.193 186 HG LEU 25 HG LEU 25 0.894 3.330 -7.458 187 1HD1 LEU 25 1HD1 LEU 25 -0.398 4.356 -5.559 188 2HD1 LEU 25 2HD1 LEU 25 0.622 5.807 -5.728 189 3HD1 LEU 25 3HD1 LEU 25 -0.456 5.305 -7.044 190 1HD2 LEU 25 1HD2 LEU 25 2.693 5.773 -7.092 191 2HD2 LEU 25 2HD2 LEU 25 2.773 4.597 -8.422 192 3HD2 LEU 25 3HD2 LEU 25 1.388 5.655 -8.308 193 H ASP 26 HN ASP 26 5.048 3.931 -5.991 194 HA ASP 26 HA ASP 26 5.302 4.740 -8.647 195 1HB ASP 26 2HB ASP 26 6.953 4.901 -6.213 196 2HB ASP 26 3HB ASP 26 7.951 4.708 -7.654 197 H GLN 27 HN GLN 27 7.214 2.113 -7.078 198 HA GLN 27 HA GLN 27 8.283 1.202 -9.589 199 1HB GLN 27 2HB GLN 27 9.430 1.078 -7.479 200 2HB GLN 27 3HB GLN 27 8.222 -0.016 -6.790 201 1HG GLN 27 2HG GLN 27 8.954 -1.805 -8.036 202 2HG GLN 27 3HG GLN 27 9.569 -0.793 -9.353 203 1HE2 GLN 27 2HNE GLN 27 12.201 -1.904 -6.404 204 2HE2 GLN 27 1HNE GLN 27 10.582 -2.592 -6.632 205 H ALA 28 HN ALA 28 5.269 0.697 -7.935 206 HA ALA 28 HA ALA 28 4.577 -1.908 -8.988 207 1HB ALA 28 1HB ALA 28 3.559 -0.392 -7.023 208 2HB ALA 28 2HB ALA 28 2.466 0.091 -8.360 209 3HB ALA 28 3HB ALA 28 2.630 -1.605 -7.875 210 H GLU 29 HN GLU 29 3.716 1.472 -9.935 211 HA GLU 29 HA GLU 29 2.285 0.961 -12.246 212 1HB GLU 29 2HB GLU 29 4.196 3.256 -11.602 213 2HB GLU 29 3HB GLU 29 3.255 3.166 -13.093 214 1HG GLU 29 2HG GLU 29 1.152 3.038 -11.760 215 2HG GLU 29 3HG GLU 29 2.102 3.290 -10.296 216 H GLU 30 HN GLU 30 5.842 1.329 -11.825 217 HA GLU 30 HA GLU 30 6.653 0.863 -14.458 218 1HB GLU 30 2HB GLU 30 8.100 0.155 -11.905 219 2HB GLU 30 3HB GLU 30 8.830 0.208 -13.507 220 1HG GLU 30 2HG GLU 30 7.431 2.683 -12.408 221 2HG GLU 30 3HG GLU 30 9.082 2.275 -11.948 222 H GLU 31 HN GLU 31 5.766 -1.608 -12.060 223 HA GLU 31 HA GLU 31 6.618 -3.750 -13.879 224 1HB GLU 31 2HB GLU 31 4.849 -3.954 -11.426 225 2HB GLU 31 3HB GLU 31 5.770 -5.243 -12.217 226 1HG GLU 31 2HG GLU 31 7.540 -3.028 -11.603 227 2HG GLU 31 3HG GLU 31 6.578 -3.352 -10.212 228 H GLY 32 HN GLY 32 3.837 -1.837 -13.265 229 1HA GLY 32 2HA GLY 32 2.292 -1.564 -15.167 230 2HA GLY 32 3HA GLY 32 2.177 -3.324 -15.294 231 H ILE 33 HN ILE 33 2.356 -2.185 -12.015 232 HA ILE 33 HA ILE 33 -0.300 -3.229 -11.547 233 HB ILE 33 HB ILE 33 1.657 -1.832 -9.761 234 1HG1 ILE 33 2HG1 ILE 33 0.873 -4.726 -10.140 235 2HG1 ILE 33 3HG1 ILE 33 2.351 -4.014 -10.820 236 1HG2 ILE 33 3HG2 ILE 33 -0.729 -1.683 -8.871 237 2HG2 ILE 33 1HG2 ILE 33 -0.812 -3.449 -8.956 238 3HG2 ILE 33 2HG2 ILE 33 0.324 -2.622 -7.866 239 1HD1 ILE 33 HD3 ILE 33 2.106 -3.832 -7.862 240 2HD1 ILE 33 HD1 ILE 33 2.487 -5.382 -8.620 241 3HD1 ILE 33 HD2 ILE 33 3.489 -3.941 -8.945 242 H ASP 34 HN ASP 34 -1.994 -2.167 -12.184 243 HA ASP 34 HA ASP 34 -2.325 0.737 -11.976 244 1HB ASP 34 2HB ASP 34 -3.319 -0.699 -13.769 245 2HB ASP 34 3HB ASP 34 -4.360 -1.449 -12.525 246 H ILE 35 HN ILE 35 -1.657 0.518 -9.510 247 HA ILE 35 HA ILE 35 -3.705 -0.491 -7.809 248 HB ILE 35 HB ILE 35 -1.160 0.487 -7.481 249 1HG1 ILE 35 2HG1 ILE 35 -2.816 -0.353 -5.171 250 2HG1 ILE 35 3HG1 ILE 35 -2.069 -1.376 -6.412 251 1HG2 ILE 35 1HG2 ILE 35 -1.980 2.813 -7.232 252 2HG2 ILE 35 2HG2 ILE 35 -2.824 2.323 -5.746 253 3HG2 ILE 35 3HG2 ILE 35 -1.066 2.213 -5.855 254 1HD1 ILE 35 HD1 ILE 35 0.162 -0.550 -5.784 255 2HD1 ILE 35 HD2 ILE 35 -0.546 0.526 -4.564 256 3HD1 ILE 35 HD3 ILE 35 -0.675 -1.212 -4.370 257 HA PRO 36 HA PRO 36 -6.709 2.702 -8.208 258 1HB PRO 36 2HB PRO 36 -7.934 2.792 -5.741 259 2HB PRO 36 3HB PRO 36 -8.047 1.432 -6.887 260 1HG PRO 36 2HG PRO 36 -6.373 1.566 -4.393 261 2HG PRO 36 3HG PRO 36 -7.215 0.218 -5.151 262 1HD PRO 36 2HD PRO 36 -4.495 0.870 -5.397 263 2HD PRO 36 3HD PRO 36 -5.323 -0.290 -6.418 264 H TYR 37 HN TYR 37 -4.801 4.104 -8.507 265 HA TYR 37 HA TYR 37 -3.919 5.946 -6.480 266 1HB TYR 37 2HB TYR 37 -2.401 5.298 -8.166 267 2HB TYR 37 3HB TYR 37 -3.566 5.521 -9.455 268 HD1 TYR 37 HD1 TYR 37 -1.350 7.408 -7.102 269 HD2 TYR 37 HD2 TYR 37 -3.974 7.607 -10.517 270 HE1 TYR 37 HE1 TYR 37 -0.681 9.740 -7.496 271 HE2 TYR 37 HE2 TYR 37 -3.485 10.019 -10.733 272 HH TYR 37 HOH TYR 37 -2.845 11.733 -8.900 273 H SER 38 HN SER 38 -4.054 8.259 -6.651 274 HA SER 38 HA SER 38 -6.093 9.599 -8.250 275 1HB SER 38 2HB SER 38 -7.581 8.881 -6.532 276 2HB SER 38 3HB SER 38 -6.426 9.193 -5.242 277 HG SER 38 HOG SER 38 -6.734 11.298 -5.367 278 H CYS 39 HN CYS 39 -4.239 9.972 -5.263 279 HA CYS 39 HA CYS 39 -3.024 12.521 -6.124 280 1HB CYS 39 2HB CYS 39 -2.831 12.384 -3.371 281 2HB CYS 39 3HB CYS 39 -4.012 13.264 -4.320 282 H ARG 40 HN ARG 40 -0.930 12.984 -5.132 283 HA ARG 40 HA ARG 40 0.687 10.782 -4.150 284 1HB ARG 40 2HB ARG 40 0.769 11.348 -6.982 285 2HB ARG 40 3HB ARG 40 2.256 11.966 -6.319 286 1HG ARG 40 2HG ARG 40 2.406 9.662 -5.063 287 2HG ARG 40 3HG ARG 40 1.274 9.118 -6.303 288 1HD ARG 40 2HD ARG 40 4.011 10.437 -6.700 289 2HD ARG 40 3HD ARG 40 3.709 8.736 -6.884 290 HE ARG 40 HNE ARG 40 3.001 10.953 -8.722 291 1HH1 ARG 40 2HN2 ARG 40 2.519 7.547 -8.010 292 2HH1 ARG 40 1HN2 ARG 40 2.399 7.026 -9.669 293 1HH2 ARG 40 2HN1 ARG 40 2.822 10.283 -10.994 294 2HH2 ARG 40 1HN1 ARG 40 2.494 8.599 -11.329 295 H ALA 41 HN ALA 41 0.293 12.397 -2.385 296 HA ALA 41 HA ALA 41 2.699 13.976 -2.080 297 1HB ALA 41 3HB ALA 41 1.381 15.629 -3.389 298 2HB ALA 41 1HB ALA 41 0.060 15.502 -2.210 299 3HB ALA 41 2HB ALA 41 1.634 16.172 -1.729 300 H GLY 42 HN GLY 42 1.842 11.811 -0.724 301 1HA GLY 42 2HA GLY 42 1.523 10.965 1.349 302 2HA GLY 42 3HA GLY 42 1.838 12.561 2.015 303 H SER 43 HN SER 43 -0.170 14.103 1.586 304 HA SER 43 HA SER 43 -2.222 13.108 3.329 305 1HB SER 43 2HB SER 43 -1.403 15.434 3.326 306 2HB SER 43 3HB SER 43 -2.089 15.675 1.703 307 HG SER 43 HOG SER 43 -4.138 15.174 2.614 308 H CYS 44 HN CYS 44 -2.789 11.229 1.914 309 HA CYS 44 HA CYS 44 -4.081 11.409 -0.492 310 1HB CYS 44 2HB CYS 44 -3.306 9.370 0.731 311 2HB CYS 44 3HB CYS 44 -4.762 9.480 1.713 312 H SER 45 HN SER 45 -6.235 11.013 -1.061 313 HA SER 45 HA SER 45 -8.388 12.256 0.569 314 1HB SER 45 2HB SER 45 -7.337 13.143 -1.916 315 2HB SER 45 3HB SER 45 -8.820 12.284 -2.345 316 HG SER 45 HOG SER 45 -8.580 14.308 -0.356 317 H SER 46 HN SER 46 -7.364 9.603 -1.607 318 HA SER 46 HA SER 46 -9.603 7.977 -0.800 319 1HB SER 46 2HB SER 46 -9.435 8.890 -3.694 320 2HB SER 46 3HB SER 46 -10.519 7.646 -3.061 321 HG SER 46 HOG SER 46 -10.926 9.703 -1.526 322 H CYS 47 HN CYS 47 -7.906 6.478 -0.157 323 HA CYS 47 HA CYS 47 -7.451 4.445 -1.857 324 1HB CYS 47 2HB CYS 47 -5.321 4.267 -2.595 325 2HB CYS 47 3HB CYS 47 -5.690 5.921 -2.940 326 H ALA 48 HN ALA 48 -5.994 2.774 -0.977 327 HA ALA 48 HA ALA 48 -4.459 2.594 1.156 328 1HB ALA 48 2HB ALA 48 -7.311 2.554 2.205 329 2HB ALA 48 3HB ALA 48 -5.977 1.749 3.056 330 3HB ALA 48 1HB ALA 48 -5.898 3.481 2.788 331 H GLY 49 HN GLY 49 -4.388 0.432 2.182 332 1HA GLY 49 2HA GLY 49 -5.771 -1.711 0.747 333 2HA GLY 49 3HA GLY 49 -3.999 -1.755 0.866 334 H LYS 50 HN LYS 50 -5.472 -3.811 1.979 335 HA LYS 50 HA LYS 50 -5.395 -3.364 4.865 336 1HB LYS 50 2HB LYS 50 -7.282 -4.422 3.345 337 2HB LYS 50 3HB LYS 50 -6.383 -5.913 3.554 338 1HG LYS 50 2HG LYS 50 -6.746 -5.933 5.918 339 2HG LYS 50 3HG LYS 50 -7.085 -4.196 5.953 340 1HD LYS 50 2HD LYS 50 -9.055 -4.659 4.407 341 2HD LYS 50 3HD LYS 50 -8.890 -6.367 4.842 342 1HE LYS 50 2HE LYS 50 -9.258 -5.837 7.225 343 2HE LYS 50 3HE LYS 50 -9.103 -4.136 6.932 344 1HZ LYS 50 1HNZ LYS 50 -11.081 -4.157 5.506 345 2HZ LYS 50 2HNZ LYS 50 -11.361 -5.706 5.871 346 3HZ LYS 50 3HNZ LYS 50 -11.409 -4.544 7.052 347 H VAL 51 HN VAL 51 -3.546 -3.935 5.880 348 HA VAL 51 HA VAL 51 -1.421 -5.524 4.741 349 HB VAL 51 HB VAL 51 -2.077 -4.710 7.634 350 1HG1 VAL 51 1HG1 VAL 51 0.579 -5.636 6.468 351 2HG1 VAL 51 2HG1 VAL 51 0.299 -5.019 8.114 352 3HG1 VAL 51 3HG1 VAL 51 -0.441 -6.544 7.615 353 1HG2 VAL 51 2HG2 VAL 51 -0.269 -3.360 5.601 354 2HG2 VAL 51 3HG2 VAL 51 -1.812 -2.733 6.241 355 3HG2 VAL 51 1HG2 VAL 51 -0.420 -2.903 7.311 356 H VAL 52 HN VAL 52 -1.636 -7.640 4.368 357 HA VAL 52 HA VAL 52 -3.352 -9.339 6.094 358 HB VAL 52 HB VAL 52 -1.667 -9.929 3.655 359 1HG1 VAL 52 1HG1 VAL 52 -3.669 -11.691 5.142 360 2HG1 VAL 52 2HG1 VAL 52 -2.913 -12.090 3.586 361 3HG1 VAL 52 3HG1 VAL 52 -1.916 -11.969 5.038 362 1HG2 VAL 52 2HG2 VAL 52 -4.640 -9.439 4.031 363 2HG2 VAL 52 3HG2 VAL 52 -3.482 -8.558 3.004 364 3HG2 VAL 52 1HG2 VAL 52 -3.959 -10.211 2.591 365 H SER 53 HN SER 53 0.137 -8.863 5.216 366 HA SER 53 HA SER 53 0.951 -9.703 7.848 367 1HB SER 53 2HB SER 53 0.466 -11.931 6.720 368 2HB SER 53 3HB SER 53 1.762 -11.561 5.568 369 HG SER 53 HOG SER 53 2.462 -12.794 7.427 370 H GLY 54 HN GLY 54 3.441 -10.043 7.768 371 1HA GLY 54 2HA GLY 54 5.539 -9.050 7.386 372 2HA GLY 54 3HA GLY 54 4.916 -8.260 5.952 373 H SER 55 HN SER 55 6.306 -6.461 6.997 374 HA SER 55 HA SER 55 4.458 -4.646 8.378 375 1HB SER 55 2HB SER 55 7.349 -4.834 9.220 376 2HB SER 55 3HB SER 55 6.029 -3.984 10.020 377 HG SER 55 HOG SER 55 6.616 -5.992 11.068 378 H ILE 56 HN ILE 56 4.938 -2.479 7.786 379 HA ILE 56 HA ILE 56 7.183 -1.843 6.069 380 HB ILE 56 HB ILE 56 5.807 -0.960 4.340 381 1HG1 ILE 56 2HG1 ILE 56 3.344 -1.996 5.742 382 2HG1 ILE 56 3HG1 ILE 56 3.828 -0.303 5.699 383 1HG2 ILE 56 2HG2 ILE 56 6.346 -3.487 4.269 384 2HG2 ILE 56 3HG2 ILE 56 4.698 -3.750 4.840 385 3HG2 ILE 56 1HG2 ILE 56 4.987 -2.972 3.276 386 1HD1 ILE 56 HD2 ILE 56 3.977 -1.040 2.978 387 2HD1 ILE 56 HD3 ILE 56 2.493 -1.810 3.587 388 3HD1 ILE 56 HD1 ILE 56 2.772 -0.062 3.753 389 H ASP 57 HN ASP 57 6.997 0.677 5.648 390 HA ASP 57 HA ASP 57 6.048 1.919 8.206 391 1HB ASP 57 2HB ASP 57 8.482 1.865 8.067 392 2HB ASP 57 3HB ASP 57 8.446 2.597 6.458 393 H GLN 58 HN GLN 58 4.147 2.865 7.695 394 HA GLN 58 HA GLN 58 4.073 4.672 5.304 395 1HB GLN 58 2HB GLN 58 1.609 4.448 5.578 396 2HB GLN 58 3HB GLN 58 2.388 2.931 5.123 397 1HG GLN 58 2HG GLN 58 2.166 2.028 7.272 398 2HG GLN 58 3HG GLN 58 1.975 3.604 8.052 399 1HE2 GLN 58 2HNE GLN 58 -1.233 1.801 8.066 400 2HE2 GLN 58 1HNE GLN 58 0.404 1.627 8.687 401 H SER 59 HN SER 59 5.540 5.452 7.649 402 HA SER 59 HA SER 59 3.670 7.247 9.071 403 1HB SER 59 2HB SER 59 5.722 5.953 10.035 404 2HB SER 59 3HB SER 59 6.681 7.256 9.331 405 HG SER 59 HOG SER 59 4.505 7.498 11.176 406 H ASP 60 HN ASP 60 3.408 7.755 6.460 407 HA ASP 60 HA ASP 60 4.969 10.270 5.896 408 1HB ASP 60 2HB ASP 60 4.341 7.880 4.128 409 2HB ASP 60 3HB ASP 60 4.593 9.514 3.465 410 H GLN 61 HN GLN 61 2.011 8.410 5.023 411 HA GLN 61 HA GLN 61 0.894 10.435 3.565 412 1HB GLN 61 2HB GLN 61 -1.239 9.311 3.668 413 2HB GLN 61 3HB GLN 61 0.073 8.153 3.436 414 1HG GLN 61 2HG GLN 61 -1.325 8.700 6.076 415 2HG GLN 61 3HG GLN 61 -1.801 7.435 4.956 416 1HE2 GLN 61 2HNE GLN 61 0.581 6.098 7.542 417 2HE2 GLN 61 1HNE GLN 61 -1.045 6.820 7.623 418 H SER 62 HN SER 62 0.761 10.123 7.050 419 HA SER 62 HA SER 62 -0.342 11.294 8.687 420 1HB SER 62 2HB SER 62 -0.158 13.618 6.713 421 2HB SER 62 3HB SER 62 -0.391 13.724 8.461 422 HG SER 62 HOG SER 62 1.690 12.497 8.561 423 H PHE 63 HN PHE 63 -2.027 9.701 7.613 424 HA PHE 63 HA PHE 63 -4.583 11.114 7.459 425 1HB PHE 63 2HB PHE 63 -4.354 11.079 5.153 426 2HB PHE 63 3HB PHE 63 -3.469 9.554 5.149 427 HD1 PHE 63 HD2 PHE 63 -6.820 10.284 6.783 428 HD2 PHE 63 HD1 PHE 63 -4.651 8.245 3.637 429 HE1 PHE 63 HE2 PHE 63 -8.836 9.021 6.191 430 HE2 PHE 63 HE1 PHE 63 -6.695 7.042 3.017 431 HZ PHE 63 HZ PHE 63 -8.825 7.487 4.226 432 H LEU 64 HN LEU 64 -3.412 7.649 6.869 433 HA LEU 64 HA LEU 64 -5.637 6.668 8.066 434 1HB LEU 64 2HB LEU 64 -2.892 5.363 7.955 435 2HB LEU 64 3HB LEU 64 -4.231 4.647 8.820 436 HG LEU 64 HG LEU 64 -5.617 4.840 6.655 437 1HD1 LEU 64 2HD1 LEU 64 -2.766 5.146 5.648 438 2HD1 LEU 64 3HD1 LEU 64 -4.133 4.624 4.635 439 3HD1 LEU 64 1HD1 LEU 64 -4.122 6.260 5.343 440 1HD2 LEU 64 2HD2 LEU 64 -3.226 2.976 6.922 441 2HD2 LEU 64 3HD2 LEU 64 -4.818 2.764 7.681 442 3HD2 LEU 64 1HD2 LEU 64 -4.666 2.678 5.913 443 H ASP 65 HN ASP 65 -6.377 6.216 10.083 444 HA ASP 65 HA ASP 65 -4.904 7.489 12.284 445 1HB ASP 65 2HB ASP 65 -7.624 6.131 12.270 446 2HB ASP 65 3HB ASP 65 -6.962 7.109 13.589 447 H ASP 66 HN ASP 66 -4.908 6.329 14.443 448 HA ASP 66 HA ASP 66 -3.262 4.076 14.450 449 1HB ASP 66 2HB ASP 66 -5.245 5.031 16.579 450 2HB ASP 66 3HB ASP 66 -3.900 3.915 16.843 451 H GLU 67 HN GLU 67 -6.767 4.432 14.729 452 HA GLU 67 HA GLU 67 -7.548 1.833 15.256 453 1HB GLU 67 2HB GLU 67 -9.233 3.420 13.302 454 2HB GLU 67 3HB GLU 67 -9.661 2.549 14.770 455 1HG GLU 67 2HG GLU 67 -8.457 4.456 16.017 456 2HG GLU 67 3HG GLU 67 -8.542 5.323 14.465 457 H GLN 68 HN GLN 68 -7.397 3.397 12.006 458 HA GLN 68 HA GLN 68 -7.937 1.119 10.522 459 1HB GLN 68 2HB GLN 68 -6.329 3.566 9.804 460 2HB GLN 68 3HB GLN 68 -6.968 2.396 8.644 461 1HG GLN 68 2HG GLN 68 -9.231 2.798 9.209 462 2HG GLN 68 3HG GLN 68 -8.811 3.799 10.602 463 1HE2 GLN 68 2HNE GLN 68 -9.687 5.967 7.733 464 2HE2 GLN 68 1HNE GLN 68 -10.508 4.628 8.515 465 H MET 69 HN MET 69 -4.704 2.511 11.431 466 HA MET 69 HA MET 69 -3.103 0.573 10.165 467 1HB MET 69 2HB MET 69 -2.695 2.049 12.803 468 2HB MET 69 3HB MET 69 -1.444 1.179 11.921 469 1HG MET 69 2HG MET 69 -1.641 2.780 10.025 470 2HG MET 69 3HG MET 69 -3.005 3.529 10.783 471 1HE MET 69 HE2 MET 69 -1.760 5.596 10.094 472 2HE MET 69 HE3 MET 69 -0.275 6.242 10.838 473 3HE MET 69 HE1 MET 69 -0.188 4.880 9.684 474 H ASP 70 HN ASP 70 -4.241 0.517 13.570 475 HA ASP 70 HA ASP 70 -3.220 -2.009 14.304 476 1HB ASP 70 2HB ASP 70 -4.159 -0.275 15.868 477 2HB ASP 70 3HB ASP 70 -5.771 -0.615 15.247 478 H ALA 71 HN ALA 71 -6.287 -1.039 12.937 479 HA ALA 71 HA ALA 71 -7.698 -3.496 12.975 480 1HB ALA 71 1HB ALA 71 -7.908 -1.044 11.205 481 2HB ALA 71 2HB ALA 71 -9.133 -2.334 11.250 482 3HB ALA 71 3HB ALA 71 -8.812 -1.348 12.696 483 H GLY 72 HN GLY 72 -5.131 -2.390 10.832 484 1HA GLY 72 2HA GLY 72 -3.952 -4.230 9.785 485 2HA GLY 72 3HA GLY 72 -5.466 -4.903 9.253 486 H TYR 73 HN TYR 73 -4.839 -1.363 9.079 487 HA TYR 73 HA TYR 73 -4.908 -1.675 6.111 488 1HB TYR 73 2HB TYR 73 -5.956 0.534 7.840 489 2HB TYR 73 3HB TYR 73 -5.956 0.479 6.085 490 HD1 TYR 73 HD2 TYR 73 -7.042 -1.516 4.890 491 HD2 TYR 73 HD1 TYR 73 -7.859 -0.421 8.968 492 HE1 TYR 73 HE2 TYR 73 -9.331 -2.307 4.644 493 HE2 TYR 73 HE1 TYR 73 -10.191 -1.120 8.703 494 HH TYR 73 HOH TYR 73 -11.872 -1.414 6.682 495 H VAL 74 HN VAL 74 -3.890 -0.081 4.773 496 HA VAL 74 HA VAL 74 -1.765 1.504 5.937 497 HB VAL 74 HB VAL 74 -0.818 -0.727 5.879 498 1HG1 VAL 74 2HG1 VAL 74 -1.327 -0.717 2.868 499 2HG1 VAL 74 3HG1 VAL 74 -0.364 -1.903 3.761 500 3HG1 VAL 74 1HG1 VAL 74 -2.108 -1.782 4.056 501 1HG2 VAL 74 3HG2 VAL 74 0.434 1.494 5.043 502 2HG2 VAL 74 1HG2 VAL 74 1.185 -0.092 5.179 503 3HG2 VAL 74 2HG2 VAL 74 0.611 0.519 3.590 504 H LEU 75 HN LEU 75 -1.031 3.153 4.536 505 HA LEU 75 HA LEU 75 -2.761 3.665 2.292 506 1HB LEU 75 2HB LEU 75 -1.462 5.287 3.947 507 2HB LEU 75 3HB LEU 75 -0.184 5.193 2.766 508 HG LEU 75 HG LEU 75 -1.843 7.152 2.717 509 1HD1 LEU 75 1HD1 LEU 75 -0.272 6.804 0.965 510 2HD1 LEU 75 2HD1 LEU 75 -1.398 5.720 0.110 511 3HD1 LEU 75 3HD1 LEU 75 -1.804 7.421 0.348 512 1HD2 LEU 75 1HD2 LEU 75 -3.965 6.007 2.955 513 2HD2 LEU 75 2HD2 LEU 75 -3.899 6.985 1.498 514 3HD2 LEU 75 3HD2 LEU 75 -3.764 5.239 1.379 515 H THR 76 HN THR 76 -2.175 3.712 0.015 516 HA THR 76 HA THR 76 0.091 1.875 -0.668 517 HB THR 76 HB THR 76 -1.633 1.271 -2.549 518 HG1 THR 76 HG1 THR 76 -3.109 3.027 -1.874 519 1HG2 THR 76 2HG2 THR 76 -2.109 0.498 0.357 520 2HG2 THR 76 3HG2 THR 76 -2.668 -0.394 -1.074 521 3HG2 THR 76 1HG2 THR 76 -0.930 -0.247 -0.744 522 H CYS 77 HN CYS 77 0.479 4.641 -0.563 523 HA CYS 77 HA CYS 77 1.384 5.151 -3.350 524 1HB CYS 77 2HB CYS 77 -0.295 7.010 -1.683 525 2HB CYS 77 3HB CYS 77 0.689 7.564 -3.034 526 H HIS 78 HN HIS 78 1.283 6.232 0.030 527 HA HIS 78 HA HIS 78 4.213 6.803 -0.024 528 1HB HIS 78 2HB HIS 78 1.927 8.200 1.377 529 2HB HIS 78 3HB HIS 78 3.572 8.227 2.002 530 HD1 HIS 78 HND HIS 78 5.105 10.074 1.100 531 HD2 HIS 78 HD HIS 78 1.818 9.155 -1.374 532 HE1 HIS 78 HE HIS 78 5.059 11.835 -0.742 533 H ALA 79 HN ALA 79 4.596 4.581 0.352 534 HA ALA 79 HA ALA 79 4.610 3.811 3.168 535 1HB ALA 79 3HB ALA 79 3.018 2.287 1.049 536 2HB ALA 79 1HB ALA 79 3.570 1.592 2.584 537 3HB ALA 79 2HB ALA 79 2.420 2.947 2.591 538 H TYR 80 HN TYR 80 6.433 2.675 3.514 539 HA TYR 80 HA TYR 80 8.147 1.888 1.180 540 1HB TYR 80 2HB TYR 80 8.715 2.944 3.980 541 2HB TYR 80 3HB TYR 80 9.932 2.275 2.911 542 HD1 TYR 80 HD1 TYR 80 9.815 3.323 0.377 543 HD2 TYR 80 HD2 TYR 80 8.545 5.315 3.991 544 HE1 TYR 80 HE1 TYR 80 10.306 5.511 -0.653 545 HE2 TYR 80 HE2 TYR 80 9.099 7.495 2.977 546 HH TYR 80 HOH TYR 80 10.597 7.738 -0.278 547 HA PRO 81 HA PRO 81 7.364 -2.059 3.055 548 1HB PRO 81 2HB PRO 81 8.766 -3.595 1.148 549 2HB PRO 81 3HB PRO 81 7.045 -3.121 1.110 550 1HG PRO 81 2HG PRO 81 9.316 -2.043 -0.475 551 2HG PRO 81 3HG PRO 81 7.558 -1.895 -0.734 552 1HD PRO 81 2HD PRO 81 9.227 0.121 0.224 553 2HD PRO 81 3HD PRO 81 7.454 0.105 0.159 554 H THR 82 HN THR 82 8.466 -2.786 4.900 555 HA THR 82 HA THR 82 11.388 -2.308 4.970 556 HB THR 82 HB THR 82 11.099 -2.739 7.397 557 HG1 THR 82 HG1 THR 82 8.787 -3.761 6.820 558 1HG2 THR 82 1HG2 THR 82 9.396 -0.548 6.143 559 2HG2 THR 82 2HG2 THR 82 9.894 -0.607 7.839 560 3HG2 THR 82 3HG2 THR 82 11.116 -0.462 6.564 561 H SER 83 HN SER 83 9.225 -4.898 4.338 562 HA SER 83 HA SER 83 11.346 -6.782 4.054 563 1HB SER 83 2HB SER 83 9.131 -7.408 6.068 564 2HB SER 83 3HB SER 83 10.431 -8.502 5.571 565 HG SER 83 HOG SER 83 11.659 -6.356 6.400 566 H ASP 84 HN ASP 84 9.983 -9.032 3.524 567 HA ASP 84 HA ASP 84 8.186 -8.562 1.329 568 1HB ASP 84 2HB ASP 84 7.710 -10.976 1.684 569 2HB ASP 84 3HB ASP 84 9.427 -10.614 1.459 570 H VAL 85 HN VAL 85 6.059 -8.310 1.412 571 HA VAL 85 HA VAL 85 4.536 -8.479 3.919 572 HB VAL 85 HB VAL 85 5.326 -6.178 3.986 573 1HG1 VAL 85 1HG1 VAL 85 4.705 -6.205 1.060 574 2HG1 VAL 85 2HG1 VAL 85 4.703 -4.667 1.916 575 3HG1 VAL 85 3HG1 VAL 85 6.161 -5.665 1.919 576 1HG2 VAL 85 1HG2 VAL 85 2.435 -6.285 3.028 577 2HG2 VAL 85 2HG2 VAL 85 3.077 -6.174 4.688 578 3HG2 VAL 85 3HG2 VAL 85 3.210 -4.819 3.588 579 H VAL 86 HN VAL 86 2.361 -8.647 3.637 580 HA VAL 86 HA VAL 86 1.407 -9.209 0.872 581 HB VAL 86 HB VAL 86 0.558 -10.629 3.437 582 1HG1 VAL 86 3HG1 VAL 86 -1.154 -10.394 1.545 583 2HG1 VAL 86 1HG1 VAL 86 -0.021 -11.291 0.535 584 3HG1 VAL 86 2HG1 VAL 86 -0.731 -12.067 1.959 585 1HG2 VAL 86 1HG2 VAL 86 2.359 -11.599 1.168 586 2HG2 VAL 86 2HG2 VAL 86 2.817 -11.408 2.873 587 3HG2 VAL 86 3HG2 VAL 86 1.648 -12.651 2.409 588 H ILE 87 HN ILE 87 -0.033 -7.608 0.394 589 HA ILE 87 HA ILE 87 -1.855 -6.672 2.503 590 HB ILE 87 HB ILE 87 -0.274 -5.007 2.558 591 1HG1 ILE 87 2HG1 ILE 87 -2.652 -4.155 1.904 592 2HG1 ILE 87 3HG1 ILE 87 -1.282 -3.050 1.933 593 1HG2 ILE 87 1HG2 ILE 87 0.148 -5.191 -0.369 594 2HG2 ILE 87 2HG2 ILE 87 0.787 -3.880 0.653 595 3HG2 ILE 87 3HG2 ILE 87 1.305 -5.550 0.925 596 1HD1 ILE 87 HD3 ILE 87 -1.963 -4.490 -0.609 597 2HD1 ILE 87 HD1 ILE 87 -2.752 -2.981 -0.179 598 3HD1 ILE 87 HD2 ILE 87 -0.999 -3.028 -0.357 599 H GLU 88 HN GLU 88 -3.869 -5.942 1.662 600 HA GLU 88 HA GLU 88 -4.472 -6.780 -1.139 601 1HB GLU 88 2HB GLU 88 -6.410 -5.947 0.980 602 2HB GLU 88 3HB GLU 88 -6.775 -6.894 -0.479 603 1HG GLU 88 2HG GLU 88 -5.595 -8.817 0.636 604 2HG GLU 88 3HG GLU 88 -5.290 -7.760 2.025 605 H THR 89 HN THR 89 -4.916 -5.189 -2.634 606 HA THR 89 HA THR 89 -4.753 -2.353 -1.657 607 HB THR 89 HB THR 89 -4.386 -1.701 -3.990 608 HG1 THR 89 HG1 THR 89 -4.974 -4.411 -4.558 609 1HG2 THR 89 2HG2 THR 89 -2.783 -4.189 -3.303 610 2HG2 THR 89 3HG2 THR 89 -2.403 -2.964 -4.523 611 3HG2 THR 89 1HG2 THR 89 -2.434 -2.519 -2.806 612 H HIS 90 HN HIS 90 -6.384 -0.815 -2.898 613 HA HIS 90 HA HIS 90 -8.486 -0.145 -3.447 614 1HB HIS 90 2HB HIS 90 -9.182 -3.085 -3.904 615 2HB HIS 90 3HB HIS 90 -10.131 -1.685 -4.377 616 HD1 HIS 90 HND HIS 90 -6.350 -2.269 -5.072 617 HD2 HIS 90 HD HIS 90 -10.068 -1.821 -6.983 618 HE1 HIS 90 HE HIS 90 -5.864 -2.326 -7.518 619 H LYS 91 HN LYS 91 -7.977 0.054 -0.895 620 HA LYS 91 HA LYS 91 -10.450 -0.928 0.495 621 1HB LYS 91 2HB LYS 91 -7.703 -0.536 1.685 622 2HB LYS 91 3HB LYS 91 -9.126 -1.219 2.472 623 1HG LYS 91 2HG LYS 91 -7.756 -2.446 0.034 624 2HG LYS 91 3HG LYS 91 -7.536 -2.952 1.701 625 1HD LYS 91 2HD LYS 91 -9.674 -3.664 1.987 626 2HD LYS 91 3HD LYS 91 -10.271 -2.961 0.497 627 1HE LYS 91 2HE LYS 91 -9.415 -4.449 -0.927 628 2HE LYS 91 3HE LYS 91 -8.001 -4.770 0.074 629 1HZ LYS 91 3HNZ LYS 91 -10.667 -5.789 0.813 630 2HZ LYS 91 1HNZ LYS 91 -9.588 -6.638 -0.107 631 3HZ LYS 91 2HNZ LYS 91 -9.184 -6.258 1.398 632 H GLU 92 HN GLU 92 -10.105 1.692 -0.917 633 HA GLU 92 HA GLU 92 -9.765 3.691 1.082 634 1HB GLU 92 2HB GLU 92 -9.735 4.339 -1.216 635 2HB GLU 92 3HB GLU 92 -11.352 3.682 -1.528 636 1HG GLU 92 2HG GLU 92 -11.250 6.186 -1.297 637 2HG GLU 92 3HG GLU 92 -12.394 5.410 -0.209 638 H GLU 93 HN GLU 93 -12.885 2.532 -0.306 639 HA GLU 93 HA GLU 93 -14.312 3.429 2.025 640 1HB GLU 93 2HB GLU 93 -15.285 1.772 -0.360 641 2HB GLU 93 3HB GLU 93 -16.302 2.647 0.790 642 1HG GLU 93 2HG GLU 93 -15.341 4.797 0.040 643 2HG GLU 93 3HG GLU 93 -14.299 3.957 -1.119 644 H GLU 94 HN GLU 94 -12.549 1.778 2.916 645 HA GLU 94 HA GLU 94 -13.911 -0.412 4.300 646 1HB GLU 94 2HB GLU 94 -11.448 -0.509 2.567 647 2HB GLU 94 3HB GLU 94 -11.357 -1.382 4.078 648 1HG GLU 94 2HG GLU 94 -13.800 -1.821 2.463 649 2HG GLU 94 3HG GLU 94 -12.303 -2.394 1.734 650 H ILE 95 HN ILE 95 -11.018 1.819 4.034 651 HA ILE 95 HA ILE 95 -10.542 1.638 6.879 652 HB ILE 95 HB ILE 95 -8.883 3.298 6.513 653 1HG1 ILE 95 2HG1 ILE 95 -9.532 3.382 3.555 654 2HG1 ILE 95 3HG1 ILE 95 -10.142 4.578 4.721 655 1HG2 ILE 95 2HG2 ILE 95 -8.489 0.994 6.099 656 2HG2 ILE 95 3HG2 ILE 95 -8.823 1.095 4.374 657 3HG2 ILE 95 1HG2 ILE 95 -7.429 1.946 5.066 658 1HD1 ILE 95 HD2 ILE 95 -7.208 4.042 4.446 659 2HD1 ILE 95 HD3 ILE 95 -8.131 5.264 3.536 660 3HD1 ILE 95 HD1 ILE 95 -8.039 5.331 5.326 661 H VAL 96 HN VAL 96 -12.272 4.009 4.813 662 HA VAL 96 HA VAL 96 -12.607 5.734 7.198 663 HB VAL 96 HB VAL 96 -13.674 7.312 5.719 664 1HG1 VAL 96 3HG1 VAL 96 -11.143 7.282 6.048 665 2HG1 VAL 96 1HG1 VAL 96 -11.034 6.496 4.461 666 3HG1 VAL 96 2HG1 VAL 96 -11.725 8.104 4.595 667 1HG2 VAL 96 1HG2 VAL 96 -14.660 5.771 4.043 668 2HG2 VAL 96 2HG2 VAL 96 -13.696 7.055 3.294 669 3HG2 VAL 96 3HG2 VAL 96 -13.034 5.419 3.423 No H/Q in entry = 668 Start of MODEL 10 1 1H ALA 1 1HN ALA 1 17.481 -1.953 -0.200 2 2H ALA 1 2HN ALA 1 16.078 -2.072 -0.960 3 2H ALA 1 3HN ALA 1 16.078 -2.072 -0.960 4 HA ALA 1 HA ALA 1 17.900 -4.295 -0.554 5 1HB ALA 1 2HB ALA 1 17.084 -3.367 1.634 6 2HB ALA 1 3HB ALA 1 15.453 -3.918 1.176 7 3HB ALA 1 1HB ALA 1 16.760 -5.082 1.335 8 H THR 2 HN THR 2 14.454 -3.545 -1.212 9 HA THR 2 HA THR 2 13.135 -4.288 -2.888 10 HB THR 2 HB THR 2 15.298 -6.136 -3.820 11 HG1 THR 2 HG1 THR 2 14.968 -3.360 -4.372 12 1HG2 THR 2 3HG2 THR 2 13.091 -6.395 -4.931 13 2HG2 THR 2 1HG2 THR 2 13.072 -4.652 -5.288 14 3HG2 THR 2 2HG2 THR 2 14.294 -5.698 -6.031 15 H TYR 3 HN TYR 3 11.448 -5.253 -1.923 16 HA TYR 3 HA TYR 3 11.796 -8.080 -0.984 17 1HB TYR 3 2HB TYR 3 9.984 -5.900 0.077 18 2HB TYR 3 3HB TYR 3 10.080 -7.541 0.681 19 HD1 TYR 3 HD1 TYR 3 12.707 -8.276 1.232 20 HD2 TYR 3 HD2 TYR 3 11.173 -4.248 1.198 21 HE1 TYR 3 HE1 TYR 3 14.397 -7.611 2.919 22 HE2 TYR 3 HE2 TYR 3 12.771 -3.641 2.988 23 HH TYR 3 HOH TYR 3 13.776 -4.786 4.807 24 H ASN 4 HN ASN 4 10.081 -9.438 -1.032 25 HA ASN 4 HA ASN 4 8.349 -9.573 -3.289 26 1HB ASN 4 2HB ASN 4 9.338 -11.555 -2.314 27 2HB ASN 4 3HB ASN 4 8.832 -11.080 -0.689 28 1HD2 ASN 4 2HND ASN 4 5.541 -12.122 -2.841 29 2HD2 ASN 4 1HND ASN 4 6.523 -10.718 -3.310 30 H VAL 5 HN VAL 5 6.845 -7.938 -3.307 31 HA VAL 5 HA VAL 5 5.096 -7.620 -0.882 32 HB VAL 5 HB VAL 5 5.384 -5.809 -3.275 33 1HG1 VAL 5 1HG1 VAL 5 3.725 -5.548 -0.706 34 2HG1 VAL 5 2HG1 VAL 5 4.001 -4.249 -1.862 35 3HG1 VAL 5 3HG1 VAL 5 3.112 -5.698 -2.341 36 1HG2 VAL 5 3HG2 VAL 5 6.529 -5.705 -0.455 37 2HG2 VAL 5 1HG2 VAL 5 7.378 -5.549 -1.992 38 3HG2 VAL 5 2HG2 VAL 5 6.310 -4.245 -1.429 39 H LYS 6 HN LYS 6 3.162 -8.770 -1.021 40 HA LYS 6 HA LYS 6 2.017 -9.133 -3.729 41 1HB LYS 6 2HB LYS 6 2.154 -11.028 -2.095 42 2HB LYS 6 3HB LYS 6 0.935 -10.164 -1.139 43 1HG LYS 6 2HG LYS 6 -0.488 -10.046 -3.311 44 2HG LYS 6 3HG LYS 6 0.737 -11.090 -4.044 45 1HD LYS 6 2HD LYS 6 -1.146 -11.698 -1.723 46 2HD LYS 6 3HD LYS 6 -1.111 -12.284 -3.395 47 1HE LYS 6 2HE LYS 6 1.229 -13.189 -2.877 48 2HE LYS 6 3HE LYS 6 0.873 -12.930 -1.177 49 1HZ LYS 6 2HNZ LYS 6 -0.999 -14.406 -2.932 50 2HZ LYS 6 3HNZ LYS 6 0.297 -15.190 -2.250 51 3HZ LYS 6 1HNZ LYS 6 -0.885 -14.493 -1.319 52 H LEU 7 HN LEU 7 0.380 -8.052 -4.536 53 HA LEU 7 HA LEU 7 -1.295 -6.401 -2.726 54 1HB LEU 7 2HB LEU 7 -0.656 -6.133 -5.676 55 2HB LEU 7 3HB LEU 7 -1.724 -5.040 -4.810 56 HG LEU 7 HG LEU 7 1.217 -5.436 -4.157 57 1HD1 LEU 7 3HD1 LEU 7 -0.137 -3.509 -6.043 58 2HD1 LEU 7 1HD1 LEU 7 1.492 -3.221 -5.414 59 3HD1 LEU 7 2HD1 LEU 7 1.163 -4.654 -6.415 60 1HD2 LEU 7 3HD2 LEU 7 -0.467 -4.292 -2.482 61 2HD2 LEU 7 1HD2 LEU 7 1.109 -3.552 -2.806 62 3HD2 LEU 7 2HD2 LEU 7 -0.340 -2.919 -3.599 63 H ILE 8 HN ILE 8 -3.027 -7.563 -2.159 64 HA ILE 8 HA ILE 8 -4.195 -9.529 -4.029 65 HB ILE 8 HB ILE 8 -4.881 -8.583 -1.255 66 1HG1 ILE 8 2HG1 ILE 8 -4.040 -11.355 -2.049 67 2HG1 ILE 8 3HG1 ILE 8 -2.829 -10.098 -1.750 68 1HG2 ILE 8 2HG2 ILE 8 -6.250 -10.689 -2.990 69 2HG2 ILE 8 3HG2 ILE 8 -6.529 -10.502 -1.249 70 3HG2 ILE 8 1HG2 ILE 8 -6.996 -9.213 -2.346 71 1HD1 ILE 8 HD1 ILE 8 -4.936 -10.957 0.270 72 2HD1 ILE 8 HD2 ILE 8 -3.231 -11.433 0.260 73 3HD1 ILE 8 HD3 ILE 8 -3.668 -9.725 0.487 74 H THR 9 HN THR 9 -4.649 -8.259 -5.798 75 HA THR 9 HA THR 9 -6.551 -6.089 -5.509 76 HB THR 9 HB THR 9 -6.274 -5.910 -7.910 77 HG1 THR 9 HG1 THR 9 -5.794 -8.262 -8.192 78 1HG2 THR 9 1HG2 THR 9 -3.614 -6.286 -6.442 79 2HG2 THR 9 2HG2 THR 9 -3.801 -5.498 -8.023 80 3HG2 THR 9 3HG2 THR 9 -4.514 -4.758 -6.599 81 HA PRO 10 HA PRO 10 -10.245 -8.433 -6.335 82 1HB PRO 10 2HB PRO 10 -10.789 -6.531 -8.597 83 2HB PRO 10 3HB PRO 10 -11.863 -7.067 -7.263 84 1HG PRO 10 2HG PRO 10 -10.677 -4.669 -7.161 85 2HG PRO 10 3HG PRO 10 -10.753 -5.682 -5.701 86 1HD PRO 10 2HD PRO 10 -8.430 -5.160 -7.402 87 2HD PRO 10 3HD PRO 10 -8.533 -5.513 -5.695 88 H ASP 11 HN ASP 11 -8.380 -7.480 -9.186 89 HA ASP 11 HA ASP 11 -9.017 -9.153 -11.239 90 1HB ASP 11 2HB ASP 11 -6.319 -8.188 -10.162 91 2HB ASP 11 3HB ASP 11 -6.549 -8.852 -11.752 92 H GLY 12 HN GLY 12 -7.182 -9.795 -8.321 93 1HA GLY 12 2HA GLY 12 -7.345 -11.818 -7.329 94 2HA GLY 12 3HA GLY 12 -7.117 -12.724 -8.852 95 H GLU 13 HN GLU 13 -5.545 -10.200 -6.928 96 HA GLU 13 HA GLU 13 -3.515 -9.892 -6.003 97 1HB GLU 13 2HB GLU 13 -3.042 -12.726 -6.843 98 2HB GLU 13 3HB GLU 13 -1.884 -11.753 -5.954 99 1HG GLU 13 2HG GLU 13 -3.134 -11.650 -4.058 100 2HG GLU 13 3HG GLU 13 -4.659 -12.124 -4.834 101 H VAL 14 HN VAL 14 -1.550 -9.116 -6.493 102 HA VAL 14 HA VAL 14 -0.226 -9.834 -8.994 103 HB VAL 14 HB VAL 14 -1.797 -8.101 -9.580 104 1HG1 VAL 14 3HG1 VAL 14 -1.741 -6.838 -7.443 105 2HG1 VAL 14 1HG1 VAL 14 -0.250 -6.056 -8.013 106 3HG1 VAL 14 2HG1 VAL 14 -1.767 -5.887 -8.920 107 1HG2 VAL 14 1HG2 VAL 14 0.277 -8.453 -10.849 108 2HG2 VAL 14 2HG2 VAL 14 -0.231 -6.760 -10.894 109 3HG2 VAL 14 3HG2 VAL 14 1.105 -7.266 -9.824 110 H GLU 15 HN GLU 15 1.249 -10.772 -7.720 111 HA GLU 15 HA GLU 15 2.634 -9.316 -5.659 112 1HB GLU 15 2HB GLU 15 1.970 -11.876 -5.908 113 2HB GLU 15 3HB GLU 15 3.465 -11.977 -6.850 114 1HG GLU 15 2HG GLU 15 4.789 -11.345 -4.956 115 2HG GLU 15 3HG GLU 15 3.370 -10.815 -4.046 116 H PHE 16 HN PHE 16 4.675 -8.574 -5.642 117 HA PHE 16 HA PHE 16 6.245 -8.384 -8.127 118 1HB PHE 16 2HB PHE 16 5.788 -6.329 -8.740 119 2HB PHE 16 3HB PHE 16 4.203 -6.948 -8.334 120 HD1 PHE 16 HD1 PHE 16 3.448 -6.420 -5.807 121 HD2 PHE 16 HD2 PHE 16 6.660 -4.369 -7.838 122 HE1 PHE 16 HE1 PHE 16 3.267 -4.536 -4.276 123 HE2 PHE 16 HE2 PHE 16 6.404 -2.500 -6.368 124 HZ PHE 16 HZ PHE 16 4.619 -2.437 -4.655 125 H LYS 17 HN LYS 17 8.000 -6.590 -7.874 126 HA LYS 17 HA LYS 17 9.201 -7.048 -5.155 127 1HB LYS 17 2HB LYS 17 10.386 -7.104 -7.879 128 2HB LYS 17 3HB LYS 17 11.256 -6.155 -6.698 129 1HG LYS 17 2HG LYS 17 12.145 -8.431 -6.614 130 2HG LYS 17 3HG LYS 17 11.403 -7.911 -5.106 131 1HD LYS 17 2HD LYS 17 10.562 -10.002 -5.198 132 2HD LYS 17 3HD LYS 17 9.264 -9.095 -5.920 133 1HE LYS 17 2HE LYS 17 11.367 -10.720 -7.423 134 2HE LYS 17 3HE LYS 17 9.667 -11.150 -7.195 135 1HZ LYS 17 1HNZ LYS 17 9.098 -9.136 -8.463 136 2HZ LYS 17 2HNZ LYS 17 10.686 -8.862 -8.747 137 3HZ LYS 17 3HNZ LYS 17 9.974 -10.213 -9.350 138 H CYS 18 HN CYS 18 9.289 -5.342 -3.870 139 HA CYS 18 HA CYS 18 9.187 -2.607 -5.139 140 1HB CYS 18 2HB CYS 18 7.049 -3.280 -3.983 141 2HB CYS 18 3HB CYS 18 8.039 -3.353 -2.519 142 HG CYS 18 HSG CYS 18 7.547 -0.899 -4.706 143 H ASP 19 HN ASP 19 10.852 -1.352 -4.651 144 HA ASP 19 HA ASP 19 12.894 -2.215 -2.798 145 1HB ASP 19 2HB ASP 19 12.630 0.463 -4.159 146 2HB ASP 19 3HB ASP 19 14.063 -0.262 -3.416 147 H ASP 20 HN ASP 20 13.099 -1.708 -0.855 148 HA ASP 20 HA ASP 20 11.391 -0.343 0.985 149 1HB ASP 20 2HB ASP 20 13.627 -0.274 2.320 150 2HB ASP 20 3HB ASP 20 12.979 -1.833 1.853 151 H ASP 21 HN ASP 21 13.765 0.731 -1.296 152 HA ASP 21 HA ASP 21 14.074 3.409 -0.315 153 1HB ASP 21 2HB ASP 21 14.709 2.248 -3.060 154 2HB ASP 21 3HB ASP 21 15.427 3.664 -2.293 155 H VAL 22 HN VAL 22 11.484 1.924 -2.096 156 HA VAL 22 HA VAL 22 10.731 4.481 -3.423 157 HB VAL 22 HB VAL 22 11.966 2.563 -4.786 158 1HG1 VAL 22 3HG1 VAL 22 10.269 0.755 -4.084 159 2HG1 VAL 22 1HG1 VAL 22 9.091 1.603 -5.088 160 3HG1 VAL 22 2HG1 VAL 22 10.573 0.939 -5.805 161 1HG2 VAL 22 3HG2 VAL 22 9.488 3.986 -5.643 162 2HG2 VAL 22 1HG2 VAL 22 11.156 4.568 -5.789 163 3HG2 VAL 22 2HG2 VAL 22 10.603 3.180 -6.770 164 H TYR 23 HN TYR 23 8.259 4.625 -3.920 165 HA TYR 23 HA TYR 23 6.975 3.450 -1.597 166 1HB TYR 23 2HB TYR 23 5.722 4.972 -3.858 167 2HB TYR 23 3HB TYR 23 4.956 4.564 -2.332 168 HD1 TYR 23 HD1 TYR 23 6.737 5.328 -0.225 169 HD2 TYR 23 HD2 TYR 23 5.974 7.288 -3.992 170 HE1 TYR 23 HE1 TYR 23 6.983 7.534 0.858 171 HE2 TYR 23 HE2 TYR 23 6.351 9.481 -2.918 172 HH TYR 23 HOH TYR 23 7.052 9.814 0.573 173 H VAL 24 HN VAL 24 5.223 1.937 -1.666 174 HA VAL 24 HA VAL 24 5.400 -0.268 -3.387 175 HB VAL 24 HB VAL 24 2.777 0.633 -2.144 176 1HG1 VAL 24 2HG1 VAL 24 2.782 -1.401 -3.654 177 2HG1 VAL 24 3HG1 VAL 24 4.037 -2.093 -2.577 178 3HG1 VAL 24 1HG1 VAL 24 2.404 -1.773 -1.963 179 1HG2 VAL 24 2HG2 VAL 24 5.254 -0.622 -0.885 180 2HG2 VAL 24 3HG2 VAL 24 4.260 0.720 -0.280 181 3HG2 VAL 24 1HG2 VAL 24 3.628 -0.913 -0.232 182 H LEU 25 HN LEU 25 3.156 2.513 -3.852 183 HA LEU 25 HA LEU 25 2.137 1.465 -6.253 184 1HB LEU 25 2HB LEU 25 0.873 3.297 -6.531 185 2HB LEU 25 3HB LEU 25 1.095 3.206 -4.795 186 HG LEU 25 HG LEU 25 1.080 5.433 -5.336 187 1HD1 LEU 25 2HD1 LEU 25 3.030 4.728 -3.834 188 2HD1 LEU 25 3HD1 LEU 25 4.057 5.045 -5.247 189 3HD1 LEU 25 1HD1 LEU 25 3.094 6.349 -4.560 190 1HD2 LEU 25 3HD2 LEU 25 1.403 5.275 -7.770 191 2HD2 LEU 25 1HD2 LEU 25 2.346 6.581 -7.029 192 3HD2 LEU 25 2HD2 LEU 25 3.153 5.109 -7.543 193 H ASP 26 HN ASP 26 5.144 3.266 -5.733 194 HA ASP 26 HA ASP 26 5.469 4.297 -8.361 195 1HB ASP 26 2HB ASP 26 7.519 3.453 -6.263 196 2HB ASP 26 3HB ASP 26 7.879 4.357 -7.725 197 H GLN 27 HN GLN 27 7.147 1.562 -6.764 198 HA GLN 27 HA GLN 27 8.188 0.573 -9.205 199 1HB GLN 27 2HB GLN 27 8.355 -0.221 -6.432 200 2HB GLN 27 3HB GLN 27 8.044 -1.649 -7.428 201 1HG GLN 27 2HG GLN 27 10.265 0.317 -8.035 202 2HG GLN 27 3HG GLN 27 10.452 -1.166 -7.086 203 1HE2 GLN 27 2HNE GLN 27 9.947 -3.426 -9.893 204 2HE2 GLN 27 1HNE GLN 27 9.668 -3.256 -8.177 205 H ALA 28 HN ALA 28 5.159 -0.195 -7.423 206 HA ALA 28 HA ALA 28 4.304 -2.373 -8.937 207 1HB ALA 28 1HB ALA 28 2.782 -0.009 -7.829 208 2HB ALA 28 2HB ALA 28 1.990 -1.415 -8.491 209 3HB ALA 28 3HB ALA 28 3.018 -1.603 -7.058 210 H GLU 29 HN GLU 29 3.508 1.090 -9.688 211 HA GLU 29 HA GLU 29 2.380 0.480 -12.215 212 1HB GLU 29 2HB GLU 29 3.711 3.032 -11.195 213 2HB GLU 29 3HB GLU 29 2.919 2.886 -12.771 214 1HG GLU 29 2HG GLU 29 0.800 2.201 -11.658 215 2HG GLU 29 3HG GLU 29 1.564 2.422 -10.078 216 H GLU 30 HN GLU 30 5.814 1.169 -11.292 217 HA GLU 30 HA GLU 30 6.886 0.995 -13.901 218 1HB GLU 30 2HB GLU 30 8.223 0.174 -11.345 219 2HB GLU 30 3HB GLU 30 9.026 0.454 -12.874 220 1HG GLU 30 2HG GLU 30 7.363 2.728 -11.770 221 2HG GLU 30 3HG GLU 30 8.916 2.354 -11.019 222 H GLU 31 HN GLU 31 6.042 -1.726 -11.758 223 HA GLU 31 HA GLU 31 7.224 -3.600 -13.680 224 1HB GLU 31 2HB GLU 31 5.247 -4.382 -11.539 225 2HB GLU 31 3HB GLU 31 6.531 -5.343 -12.288 226 1HG GLU 31 2HG GLU 31 7.755 -3.028 -11.172 227 2HG GLU 31 3HG GLU 31 6.594 -3.542 -10.001 228 H GLY 32 HN GLY 32 4.280 -1.900 -13.293 229 1HA GLY 32 2HA GLY 32 3.035 -1.506 -15.358 230 2HA GLY 32 3HA GLY 32 3.101 -3.234 -15.724 231 H ILE 33 HN ILE 33 2.659 -2.439 -12.358 232 HA ILE 33 HA ILE 33 0.066 -3.734 -12.434 233 HB ILE 33 HB ILE 33 1.528 -2.426 -10.173 234 1HG1 ILE 33 2HG1 ILE 33 1.598 -5.280 -11.143 235 2HG1 ILE 33 3HG1 ILE 33 2.933 -4.131 -11.269 236 1HG2 ILE 33 2HG2 ILE 33 -0.937 -2.987 -9.796 237 2HG2 ILE 33 3HG2 ILE 33 -0.531 -4.647 -10.176 238 3HG2 ILE 33 1HG2 ILE 33 0.157 -3.866 -8.725 239 1HD1 ILE 33 HD3 ILE 33 2.696 -3.887 -8.657 240 2HD1 ILE 33 HD1 ILE 33 1.996 -5.503 -8.776 241 3HD1 ILE 33 HD2 ILE 33 3.621 -5.178 -9.429 242 H ASP 34 HN ASP 34 -1.839 -2.811 -12.292 243 HA ASP 34 HA ASP 34 -2.178 0.157 -12.100 244 1HB ASP 34 2HB ASP 34 -3.193 -1.029 -14.005 245 2HB ASP 34 3HB ASP 34 -4.126 -2.053 -12.887 246 H ILE 35 HN ILE 35 -2.540 0.956 -10.113 247 HA ILE 35 HA ILE 35 -4.377 -0.441 -8.361 248 HB ILE 35 HB ILE 35 -3.084 -0.440 -6.445 249 1HG1 ILE 35 2HG1 ILE 35 -0.845 1.130 -7.792 250 2HG1 ILE 35 3HG1 ILE 35 -2.005 1.784 -6.625 251 1HG2 ILE 35 2HG2 ILE 35 -2.480 -2.246 -8.040 252 2HG2 ILE 35 3HG2 ILE 35 -1.034 -1.272 -8.468 253 3HG2 ILE 35 1HG2 ILE 35 -1.273 -1.883 -6.824 254 1HD1 ILE 35 HD2 ILE 35 -1.259 -0.114 -5.043 255 2HD1 ILE 35 HD3 ILE 35 0.150 -0.282 -6.109 256 3HD1 ILE 35 HD1 ILE 35 -0.148 1.248 -5.277 257 HA PRO 36 HA PRO 36 -5.831 3.628 -8.140 258 1HB PRO 36 2HB PRO 36 -7.120 3.843 -5.737 259 2HB PRO 36 3HB PRO 36 -7.665 2.775 -7.066 260 1HG PRO 36 2HG PRO 36 -6.098 2.020 -4.610 261 2HG PRO 36 3HG PRO 36 -7.477 1.169 -5.357 262 1HD PRO 36 2HD PRO 36 -4.838 0.521 -5.735 263 2HD PRO 36 3HD PRO 36 -6.066 0.219 -7.006 264 H TYR 37 HN TYR 37 -4.923 5.537 -7.909 265 HA TYR 37 HA TYR 37 -3.736 6.702 -5.601 266 1HB TYR 37 2HB TYR 37 -1.824 5.315 -6.045 267 2HB TYR 37 3HB TYR 37 -2.034 5.444 -7.786 268 HD1 TYR 37 HD2 TYR 37 -1.188 7.575 -4.770 269 HD2 TYR 37 HD1 TYR 37 -0.758 6.986 -9.028 270 HE1 TYR 37 HE2 TYR 37 0.672 9.158 -4.798 271 HE2 TYR 37 HE1 TYR 37 0.997 8.726 -9.073 272 HH TYR 37 HOH TYR 37 1.694 10.627 -6.202 273 H SER 38 HN SER 38 -3.923 8.996 -6.079 274 HA SER 38 HA SER 38 -4.283 9.793 -8.918 275 1HB SER 38 2HB SER 38 -6.474 8.795 -8.178 276 2HB SER 38 3HB SER 38 -6.528 9.987 -6.860 277 HG SER 38 HOG SER 38 -6.388 11.597 -8.541 278 H CYS 39 HN CYS 39 -2.487 10.513 -6.553 279 HA CYS 39 HA CYS 39 -2.752 13.389 -6.415 280 1HB CYS 39 2HB CYS 39 -3.415 13.241 -3.981 281 2HB CYS 39 3HB CYS 39 -4.641 12.944 -5.177 282 H ARG 40 HN ARG 40 -1.377 13.735 -3.991 283 HA ARG 40 HA ARG 40 0.785 11.944 -3.590 284 1HB ARG 40 2HB ARG 40 1.522 12.597 -5.850 285 2HB ARG 40 3HB ARG 40 1.661 14.269 -5.289 286 1HG ARG 40 2HG ARG 40 3.031 12.759 -3.332 287 2HG ARG 40 3HG ARG 40 3.374 11.870 -4.802 288 1HD ARG 40 2HD ARG 40 4.508 13.817 -5.756 289 2HD ARG 40 3HD ARG 40 3.729 14.886 -4.586 290 HE ARG 40 HNE ARG 40 5.308 14.524 -3.060 291 1HH1 ARG 40 2HN2 ARG 40 5.489 11.853 -5.339 292 2HH1 ARG 40 1HN2 ARG 40 6.830 11.057 -4.573 293 1HH2 ARG 40 2HN1 ARG 40 7.013 13.457 -1.934 294 2HH2 ARG 40 1HN1 ARG 40 7.639 11.951 -2.509 295 H ALA 41 HN ALA 41 -0.054 12.526 -1.451 296 HA ALA 41 HA ALA 41 1.730 14.499 -0.300 297 1HB ALA 41 1HB ALA 41 -0.107 16.027 -0.889 298 2HB ALA 41 2HB ALA 41 -1.251 15.030 0.031 299 3HB ALA 41 3HB ALA 41 0.074 15.857 0.865 300 H GLY 42 HN GLY 42 -1.320 12.772 0.631 301 1HA GLY 42 2HA GLY 42 -0.396 10.664 2.018 302 2HA GLY 42 3HA GLY 42 -0.109 11.964 3.183 303 H SER 43 HN SER 43 -2.243 13.630 3.003 304 HA SER 43 HA SER 43 -4.696 11.943 3.405 305 1HB SER 43 2HB SER 43 -5.480 13.885 4.707 306 2HB SER 43 3HB SER 43 -4.000 13.196 5.388 307 HG SER 43 HOG SER 43 -4.162 15.415 3.631 308 H CYS 44 HN CYS 44 -4.632 11.883 0.959 309 HA CYS 44 HA CYS 44 -6.247 14.177 0.001 310 1HB CYS 44 2HB CYS 44 -5.127 13.363 -2.305 311 2HB CYS 44 3HB CYS 44 -4.730 14.753 -1.331 312 H SER 45 HN SER 45 -6.102 11.436 -2.252 313 HA SER 45 HA SER 45 -8.105 9.999 -0.757 314 1HB SER 45 2HB SER 45 -9.969 10.392 -2.431 315 2HB SER 45 3HB SER 45 -9.643 11.710 -1.305 316 HG SER 45 HOG SER 45 -9.879 12.371 -3.539 317 H SER 46 HN SER 46 -8.821 8.164 -1.569 318 HA SER 46 HA SER 46 -8.991 6.258 -2.773 319 1HB SER 46 2HB SER 46 -7.872 7.761 -5.164 320 2HB SER 46 3HB SER 46 -8.703 6.205 -5.168 321 HG SER 46 HOG SER 46 -10.497 7.387 -4.123 322 H CYS 47 HN CYS 47 -7.028 6.211 -1.031 323 HA CYS 47 HA CYS 47 -4.840 4.689 -2.336 324 1HB CYS 47 2HB CYS 47 -4.403 7.202 -0.757 325 2HB CYS 47 3HB CYS 47 -3.148 6.053 -1.207 326 H ALA 48 HN ALA 48 -5.963 2.970 -0.956 327 HA ALA 48 HA ALA 48 -4.510 2.796 1.565 328 1HB ALA 48 3HB ALA 48 -6.468 4.071 2.335 329 2HB ALA 48 1HB ALA 48 -7.534 2.825 1.663 330 3HB ALA 48 2HB ALA 48 -6.444 2.423 3.000 331 H GLY 49 HN GLY 49 -4.551 0.716 2.491 332 1HA GLY 49 2HA GLY 49 -5.719 -1.448 0.937 333 2HA GLY 49 3HA GLY 49 -3.956 -1.429 1.079 334 H LYS 50 HN LYS 50 -5.365 -3.568 2.114 335 HA LYS 50 HA LYS 50 -5.379 -3.241 5.009 336 1HB LYS 50 2HB LYS 50 -7.181 -4.307 3.369 337 2HB LYS 50 3HB LYS 50 -6.248 -5.771 3.621 338 1HG LYS 50 2HG LYS 50 -6.723 -5.817 5.951 339 2HG LYS 50 3HG LYS 50 -7.105 -4.088 5.988 340 1HD LYS 50 2HD LYS 50 -9.002 -4.525 4.399 341 2HD LYS 50 3HD LYS 50 -8.801 -6.257 4.718 342 1HE LYS 50 2HE LYS 50 -9.249 -5.921 7.110 343 2HE LYS 50 3HE LYS 50 -9.129 -4.191 6.963 344 1HZ LYS 50 2HNZ LYS 50 -11.074 -4.129 5.517 345 2HZ LYS 50 3HNZ LYS 50 -11.278 -5.707 5.641 346 3HZ LYS 50 1HNZ LYS 50 -11.443 -4.748 6.988 347 H VAL 51 HN VAL 51 -3.542 -3.858 6.093 348 HA VAL 51 HA VAL 51 -1.377 -5.327 4.806 349 HB VAL 51 HB VAL 51 -1.876 -4.643 7.772 350 1HG1 VAL 51 2HG1 VAL 51 -0.106 -6.381 7.418 351 2HG1 VAL 51 3HG1 VAL 51 0.777 -5.219 6.387 352 3HG1 VAL 51 1HG1 VAL 51 0.501 -4.866 8.105 353 1HG2 VAL 51 1HG2 VAL 51 -1.814 -2.585 6.475 354 2HG2 VAL 51 2HG2 VAL 51 -0.371 -2.702 7.479 355 3HG2 VAL 51 3HG2 VAL 51 -0.256 -3.075 5.747 356 H VAL 52 HN VAL 52 -1.660 -7.452 4.377 357 HA VAL 52 HA VAL 52 -3.329 -9.137 6.165 358 HB VAL 52 HB VAL 52 -1.766 -9.706 3.643 359 1HG1 VAL 52 3HG1 VAL 52 -3.668 -11.501 5.221 360 2HG1 VAL 52 1HG1 VAL 52 -3.020 -11.871 3.611 361 3HG1 VAL 52 2HG1 VAL 52 -1.926 -11.775 4.994 362 1HG2 VAL 52 3HG2 VAL 52 -4.719 -9.248 4.198 363 2HG2 VAL 52 1HG2 VAL 52 -3.625 -8.323 3.142 364 3HG2 VAL 52 2HG2 VAL 52 -4.109 -9.968 2.700 365 H SER 53 HN SER 53 0.129 -8.707 5.170 366 HA SER 53 HA SER 53 0.979 -9.566 7.780 367 1HB SER 53 2HB SER 53 0.485 -11.798 6.569 368 2HB SER 53 3HB SER 53 1.847 -11.396 5.505 369 HG SER 53 HOG SER 53 1.832 -11.846 8.307 370 H GLY 54 HN GLY 54 3.477 -9.904 7.665 371 1HA GLY 54 2HA GLY 54 5.523 -8.812 7.392 372 2HA GLY 54 3HA GLY 54 4.941 -8.116 5.887 373 H SER 55 HN SER 55 6.065 -6.115 6.680 374 HA SER 55 HA SER 55 4.062 -4.338 7.749 375 1HB SER 55 2HB SER 55 6.772 -4.503 9.123 376 2HB SER 55 3HB SER 55 5.452 -3.399 9.492 377 HG SER 55 HOG SER 55 4.358 -5.750 9.677 378 H ILE 56 HN ILE 56 4.714 -2.093 7.335 379 HA ILE 56 HA ILE 56 6.992 -1.614 5.588 380 HB ILE 56 HB ILE 56 5.633 -0.697 3.862 381 1HG1 ILE 56 2HG1 ILE 56 3.137 -1.568 5.330 382 2HG1 ILE 56 3HG1 ILE 56 3.692 0.094 5.196 383 1HG2 ILE 56 1HG2 ILE 56 6.039 -3.257 3.887 384 2HG2 ILE 56 2HG2 ILE 56 4.381 -3.386 4.467 385 3HG2 ILE 56 3HG2 ILE 56 4.712 -2.689 2.868 386 1HD1 ILE 56 HD1 ILE 56 3.785 -0.545 2.551 387 2HD1 ILE 56 HD2 ILE 56 2.513 -1.669 3.072 388 3HD1 ILE 56 HD3 ILE 56 2.335 0.076 3.302 389 H ASP 57 HN ASP 57 7.184 0.799 5.258 390 HA ASP 57 HA ASP 57 6.374 2.227 7.753 391 1HB ASP 57 2HB ASP 57 8.771 2.118 7.528 392 2HB ASP 57 3HB ASP 57 8.694 2.555 5.812 393 H GLN 58 HN GLN 58 4.469 3.214 7.295 394 HA GLN 58 HA GLN 58 4.261 4.848 4.809 395 1HB GLN 58 2HB GLN 58 1.833 4.909 5.463 396 2HB GLN 58 3HB GLN 58 2.444 3.335 4.949 397 1HG GLN 58 2HG GLN 58 2.512 2.515 7.169 398 2HG GLN 58 3HG GLN 58 2.391 4.136 7.872 399 1HE2 GLN 58 2HNE GLN 58 -0.868 2.384 8.152 400 2HE2 GLN 58 1HNE GLN 58 0.778 2.072 8.672 401 H SER 59 HN SER 59 6.044 5.661 7.057 402 HA SER 59 HA SER 59 4.993 7.574 8.692 403 1HB SER 59 2HB SER 59 7.529 7.726 7.007 404 2HB SER 59 3HB SER 59 7.112 8.900 8.269 405 HG SER 59 HOG SER 59 7.503 6.110 8.571 406 H ASP 60 HN ASP 60 5.363 7.933 5.177 407 HA ASP 60 HA ASP 60 4.777 10.778 5.153 408 1HB ASP 60 2HB ASP 60 4.970 8.671 2.963 409 2HB ASP 60 3HB ASP 60 4.696 10.393 2.653 410 H GLN 61 HN GLN 61 2.690 9.206 6.503 411 HA GLN 61 HA GLN 61 0.470 9.042 4.643 412 1HB GLN 61 2HB GLN 61 -0.707 7.942 6.531 413 2HB GLN 61 3HB GLN 61 0.788 7.156 6.059 414 1HG GLN 61 2HG GLN 61 1.852 8.455 8.109 415 2HG GLN 61 3HG GLN 61 0.173 8.729 8.595 416 1HE2 GLN 61 2HNE GLN 61 -0.392 5.104 8.968 417 2HE2 GLN 61 1HNE GLN 61 -1.099 6.395 8.007 418 H SER 62 HN SER 62 0.839 10.529 7.886 419 HA SER 62 HA SER 62 -0.605 11.881 9.020 420 1HB SER 62 2HB SER 62 -0.521 13.472 6.425 421 2HB SER 62 3HB SER 62 -0.835 14.100 8.052 422 HG SER 62 HOG SER 62 1.562 12.837 7.170 423 H PHE 63 HN PHE 63 -2.059 9.712 7.714 424 HA PHE 63 HA PHE 63 -4.713 10.998 7.339 425 1HB PHE 63 2HB PHE 63 -3.905 10.736 5.108 426 2HB PHE 63 3HB PHE 63 -3.384 9.092 5.413 427 HD1 PHE 63 HD1 PHE 63 -6.758 9.972 6.721 428 HD2 PHE 63 HD2 PHE 63 -4.534 8.554 3.277 429 HE1 PHE 63 HE1 PHE 63 -8.703 8.716 5.964 430 HE2 PHE 63 HE2 PHE 63 -6.527 7.329 2.519 431 HZ PHE 63 HZ PHE 63 -8.659 7.507 3.784 432 H LEU 64 HN LEU 64 -3.562 7.542 6.996 433 HA LEU 64 HA LEU 64 -5.842 6.626 8.200 434 1HB LEU 64 2HB LEU 64 -3.118 5.342 7.986 435 2HB LEU 64 3HB LEU 64 -4.386 4.587 8.919 436 HG LEU 64 HG LEU 64 -5.914 4.735 6.905 437 1HD1 LEU 64 1HD1 LEU 64 -3.251 5.286 5.526 438 2HD1 LEU 64 2HD1 LEU 64 -4.735 4.788 4.691 439 3HD1 LEU 64 3HD1 LEU 64 -4.678 6.353 5.512 440 1HD2 LEU 64 2HD2 LEU 64 -3.390 3.066 6.845 441 2HD2 LEU 64 3HD2 LEU 64 -4.897 2.709 7.721 442 3HD2 LEU 64 1HD2 LEU 64 -4.887 2.698 5.943 443 H ASP 65 HN ASP 65 -6.496 6.071 10.254 444 HA ASP 65 HA ASP 65 -5.038 7.371 12.472 445 1HB ASP 65 2HB ASP 65 -7.710 5.940 12.382 446 2HB ASP 65 3HB ASP 65 -7.018 6.691 13.824 447 H ASP 66 HN ASP 66 -4.804 6.162 14.518 448 HA ASP 66 HA ASP 66 -3.058 3.970 14.259 449 1HB ASP 66 2HB ASP 66 -4.722 4.866 16.661 450 2HB ASP 66 3HB ASP 66 -3.322 3.783 16.710 451 H GLU 67 HN GLU 67 -6.528 4.208 14.932 452 HA GLU 67 HA GLU 67 -7.119 1.562 15.530 453 1HB GLU 67 2HB GLU 67 -9.087 3.071 13.792 454 2HB GLU 67 3HB GLU 67 -9.306 2.158 15.280 455 1HG GLU 67 2HG GLU 67 -8.073 4.117 16.422 456 2HG GLU 67 3HG GLU 67 -8.385 4.995 14.906 457 H GLN 68 HN GLN 68 -7.469 3.140 12.299 458 HA GLN 68 HA GLN 68 -7.896 0.910 10.761 459 1HB GLN 68 2HB GLN 68 -6.378 3.434 10.093 460 2HB GLN 68 3HB GLN 68 -6.966 2.274 8.903 461 1HG GLN 68 2HG GLN 68 -9.247 2.581 9.476 462 2HG GLN 68 3HG GLN 68 -8.847 3.548 10.900 463 1HE2 GLN 68 2HNE GLN 68 -9.828 5.810 8.146 464 2HE2 GLN 68 1HNE GLN 68 -10.590 4.380 8.812 465 H MET 69 HN MET 69 -4.626 2.356 11.495 466 HA MET 69 HA MET 69 -3.082 0.404 10.177 467 1HB MET 69 2HB MET 69 -2.485 1.939 12.739 468 2HB MET 69 3HB MET 69 -1.327 1.007 11.786 469 1HG MET 69 2HG MET 69 -1.930 2.433 9.795 470 2HG MET 69 3HG MET 69 -2.899 3.411 10.827 471 1HE MET 69 HE1 MET 69 -1.883 5.639 10.682 472 2HE MET 69 HE2 MET 69 -2.032 5.235 12.410 473 3HE MET 69 HE3 MET 69 -0.582 6.080 11.810 474 H ASP 70 HN ASP 70 -3.977 0.339 13.651 475 HA ASP 70 HA ASP 70 -2.829 -2.163 14.289 476 1HB ASP 70 2HB ASP 70 -3.648 -0.453 15.935 477 2HB ASP 70 3HB ASP 70 -5.308 -0.814 15.462 478 H ALA 71 HN ALA 71 -6.007 -1.262 13.150 479 HA ALA 71 HA ALA 71 -7.370 -3.742 13.358 480 1HB ALA 71 1HB ALA 71 -7.775 -1.352 11.532 481 2HB ALA 71 2HB ALA 71 -8.970 -2.650 11.758 482 3HB ALA 71 3HB ALA 71 -8.523 -1.597 13.120 483 H GLY 72 HN GLY 72 -4.991 -2.644 11.006 484 1HA GLY 72 2HA GLY 72 -3.957 -4.530 9.806 485 2HA GLY 72 3HA GLY 72 -5.547 -5.073 9.352 486 H TYR 73 HN TYR 73 -4.885 -1.570 9.312 487 HA TYR 73 HA TYR 73 -4.971 -1.744 6.332 488 1HB TYR 73 2HB TYR 73 -5.975 0.421 8.126 489 2HB TYR 73 3HB TYR 73 -5.936 0.442 6.374 490 HD1 TYR 73 HD2 TYR 73 -7.094 -1.403 5.047 491 HD2 TYR 73 HD1 TYR 73 -7.878 -0.656 9.213 492 HE1 TYR 73 HE2 TYR 73 -9.393 -2.166 4.750 493 HE2 TYR 73 HE1 TYR 73 -10.212 -1.346 8.905 494 HH TYR 73 HOH TYR 73 -11.896 -1.422 6.656 495 H VAL 74 HN VAL 74 -3.988 0.057 5.143 496 HA VAL 74 HA VAL 74 -1.798 1.497 6.370 497 HB VAL 74 HB VAL 74 -0.802 -0.691 6.128 498 1HG1 VAL 74 2HG1 VAL 74 -1.504 -0.510 3.147 499 2HG1 VAL 74 3HG1 VAL 74 -0.455 -1.727 3.881 500 3HG1 VAL 74 1HG1 VAL 74 -2.177 -1.683 4.297 501 1HG2 VAL 74 2HG2 VAL 74 0.515 1.363 5.646 502 2HG2 VAL 74 3HG2 VAL 74 1.131 -0.173 5.073 503 3HG2 VAL 74 1HG2 VAL 74 0.363 0.968 3.928 504 H LEU 75 HN LEU 75 -0.990 3.083 4.858 505 HA LEU 75 HA LEU 75 -2.905 3.836 2.822 506 1HB LEU 75 2HB LEU 75 -1.114 5.132 4.452 507 2HB LEU 75 3HB LEU 75 -0.230 5.156 2.937 508 HG LEU 75 HG LEU 75 -3.192 5.996 3.127 509 1HD1 LEU 75 1HD1 LEU 75 -0.673 7.562 3.699 510 2HD1 LEU 75 2HD1 LEU 75 -2.255 8.308 3.430 511 3HD1 LEU 75 3HD1 LEU 75 -2.011 7.259 4.838 512 1HD2 LEU 75 2HD2 LEU 75 -2.071 5.668 0.879 513 2HD2 LEU 75 3HD2 LEU 75 -2.526 7.359 1.186 514 3HD2 LEU 75 1HD2 LEU 75 -0.843 6.822 1.433 515 H THR 76 HN THR 76 -2.716 3.469 0.592 516 HA THR 76 HA THR 76 -0.895 1.310 -0.205 517 HB THR 76 HB THR 76 -3.069 2.877 -1.624 518 HG1 THR 76 HG1 THR 76 -3.164 0.936 -0.058 519 1HG2 THR 76 2HG2 THR 76 -1.219 0.776 -2.811 520 2HG2 THR 76 3HG2 THR 76 -2.771 1.291 -3.519 521 3HG2 THR 76 1HG2 THR 76 -1.444 2.449 -3.383 522 H CYS 77 HN CYS 77 -1.259 4.808 -1.050 523 HA CYS 77 HA CYS 77 1.277 4.806 -2.479 524 1HB CYS 77 2HB CYS 77 0.803 7.040 -2.913 525 2HB CYS 77 3HB CYS 77 -0.792 6.287 -2.839 526 H HIS 78 HN HIS 78 2.753 6.672 -1.611 527 HA HIS 78 HA HIS 78 4.309 7.310 -0.018 528 1HB HIS 78 2HB HIS 78 1.566 7.923 1.091 529 2HB HIS 78 3HB HIS 78 3.021 8.410 1.926 530 HD1 HIS 78 HND HIS 78 2.768 10.948 1.580 531 HD2 HIS 78 HD HIS 78 2.984 8.654 -1.951 532 HE1 HIS 78 HE HIS 78 3.398 12.544 -0.332 533 H ALA 79 HN ALA 79 4.365 4.653 0.021 534 HA ALA 79 HA ALA 79 4.714 3.876 2.861 535 1HB ALA 79 1HB ALA 79 2.951 2.503 0.789 536 2HB ALA 79 2HB ALA 79 3.466 1.784 2.331 537 3HB ALA 79 3HB ALA 79 2.438 3.230 2.326 538 H TYR 80 HN TYR 80 6.619 2.907 3.077 539 HA TYR 80 HA TYR 80 8.121 1.882 0.685 540 1HB TYR 80 2HB TYR 80 8.956 2.778 3.462 541 2HB TYR 80 3HB TYR 80 9.989 2.091 2.218 542 HD1 TYR 80 HD2 TYR 80 10.117 3.338 -0.047 543 HD2 TYR 80 HD1 TYR 80 8.606 5.132 3.561 544 HE1 TYR 80 HE2 TYR 80 10.371 5.580 -1.061 545 HE2 TYR 80 HE1 TYR 80 8.984 7.379 2.606 546 HH TYR 80 HOH TYR 80 9.510 8.562 0.734 547 HA PRO 81 HA PRO 81 7.313 -2.032 2.716 548 1HB PRO 81 2HB PRO 81 8.838 -3.593 0.895 549 2HB PRO 81 3HB PRO 81 7.090 -3.244 0.834 550 1HG PRO 81 2HG PRO 81 9.260 -2.117 -0.827 551 2HG PRO 81 3HG PRO 81 7.478 -2.002 -1.022 552 1HD PRO 81 2HD PRO 81 9.156 0.072 -0.212 553 2HD PRO 81 3HD PRO 81 7.385 0.017 -0.252 554 H THR 82 HN THR 82 8.394 -2.653 4.628 555 HA THR 82 HA THR 82 11.311 -2.163 4.734 556 HB THR 82 HB THR 82 10.917 -2.612 7.180 557 HG1 THR 82 HG1 THR 82 8.622 -3.525 6.582 558 1HG2 THR 82 2HG2 THR 82 11.136 -0.345 6.243 559 2HG2 THR 82 3HG2 THR 82 9.404 -0.321 5.855 560 3HG2 THR 82 1HG2 THR 82 9.930 -0.376 7.548 561 H SER 83 HN SER 83 9.184 -4.819 4.222 562 HA SER 83 HA SER 83 11.350 -6.660 4.053 563 1HB SER 83 2HB SER 83 9.136 -7.190 6.103 564 2HB SER 83 3HB SER 83 10.430 -8.325 5.673 565 HG SER 83 HOG SER 83 11.650 -6.116 6.370 566 H ASP 84 HN ASP 84 9.945 -9.000 3.732 567 HA ASP 84 HA ASP 84 8.267 -8.611 1.454 568 1HB ASP 84 2HB ASP 84 7.715 -11.018 1.910 569 2HB ASP 84 3HB ASP 84 9.451 -10.705 1.760 570 H VAL 85 HN VAL 85 6.082 -8.556 1.394 571 HA VAL 85 HA VAL 85 4.482 -8.500 3.863 572 HB VAL 85 HB VAL 85 5.358 -6.247 3.936 573 1HG1 VAL 85 1HG1 VAL 85 4.751 -6.210 1.006 574 2HG1 VAL 85 2HG1 VAL 85 5.006 -4.706 1.899 575 3HG1 VAL 85 3HG1 VAL 85 6.289 -5.910 1.830 576 1HG2 VAL 85 2HG2 VAL 85 2.470 -6.300 2.981 577 2HG2 VAL 85 3HG2 VAL 85 3.152 -5.991 4.595 578 3HG2 VAL 85 1HG2 VAL 85 3.280 -4.804 3.310 579 H VAL 86 HN VAL 86 2.264 -8.534 3.574 580 HA VAL 86 HA VAL 86 1.309 -9.053 0.796 581 HB VAL 86 HB VAL 86 0.409 -10.505 3.317 582 1HG1 VAL 86 1HG1 VAL 86 -1.351 -10.130 1.502 583 2HG1 VAL 86 2HG1 VAL 86 -0.325 -11.057 0.410 584 3HG1 VAL 86 3HG1 VAL 86 -0.994 -11.829 1.850 585 1HG2 VAL 86 3HG2 VAL 86 2.092 -11.489 0.961 586 2HG2 VAL 86 1HG2 VAL 86 2.611 -11.380 2.656 587 3HG2 VAL 86 2HG2 VAL 86 1.366 -12.547 2.189 588 H ILE 87 HN ILE 87 -0.142 -7.459 0.330 589 HA ILE 87 HA ILE 87 -1.868 -6.490 2.486 590 HB ILE 87 HB ILE 87 -0.251 -4.870 2.500 591 1HG1 ILE 87 2HG1 ILE 87 -2.639 -3.960 1.987 592 2HG1 ILE 87 3HG1 ILE 87 -1.245 -2.880 1.992 593 1HG2 ILE 87 1HG2 ILE 87 0.060 -4.972 -0.458 594 2HG2 ILE 87 2HG2 ILE 87 0.738 -3.707 0.592 595 3HG2 ILE 87 3HG2 ILE 87 1.244 -5.393 0.794 596 1HD1 ILE 87 HD2 ILE 87 -2.099 -4.235 -0.547 597 2HD1 ILE 87 HD3 ILE 87 -2.804 -2.704 -0.040 598 3HD1 ILE 87 HD1 ILE 87 -1.068 -2.809 -0.323 599 H GLU 88 HN GLU 88 -3.897 -5.743 1.761 600 HA GLU 88 HA GLU 88 -4.692 -6.543 -1.025 601 1HB GLU 88 2HB GLU 88 -6.479 -5.612 1.180 602 2HB GLU 88 3HB GLU 88 -6.945 -6.504 -0.282 603 1HG GLU 88 2HG GLU 88 -5.973 -8.539 0.695 604 2HG GLU 88 3HG GLU 88 -5.382 -7.591 2.069 605 H THR 89 HN THR 89 -4.784 -4.879 -2.502 606 HA THR 89 HA THR 89 -4.605 -2.093 -1.644 607 HB THR 89 HB THR 89 -4.976 -2.024 -4.338 608 HG1 THR 89 HG1 THR 89 -5.275 -4.116 -4.841 609 1HG2 THR 89 1HG2 THR 89 -2.516 -3.017 -2.871 610 2HG2 THR 89 2HG2 THR 89 -2.533 -2.379 -4.534 611 3HG2 THR 89 3HG2 THR 89 -2.943 -1.317 -3.169 612 H HIS 90 HN HIS 90 -6.218 -0.561 -2.946 613 HA HIS 90 HA HIS 90 -8.266 0.254 -3.342 614 1HB HIS 90 2HB HIS 90 -9.482 -2.483 -3.651 615 2HB HIS 90 3HB HIS 90 -9.753 -1.021 -4.602 616 HD1 HIS 90 HND HIS 90 -7.852 -0.721 -6.634 617 HD2 HIS 90 HD HIS 90 -7.627 -4.142 -4.211 618 HE1 HIS 90 HE HIS 90 -6.076 -2.285 -7.670 619 H LYS 91 HN LYS 91 -7.789 0.291 -0.692 620 HA LYS 91 HA LYS 91 -10.331 -0.615 0.633 621 1HB LYS 91 2HB LYS 91 -7.570 -0.299 1.827 622 2HB LYS 91 3HB LYS 91 -8.979 -0.954 2.635 623 1HG LYS 91 2HG LYS 91 -7.689 -2.188 0.164 624 2HG LYS 91 3HG LYS 91 -7.481 -2.746 1.811 625 1HD LYS 91 2HD LYS 91 -9.619 -3.371 2.100 626 2HD LYS 91 3HD LYS 91 -10.234 -2.609 0.653 627 1HE LYS 91 2HE LYS 91 -9.538 -4.110 -0.833 628 2HE LYS 91 3HE LYS 91 -8.163 -4.626 0.141 629 1HZ LYS 91 2HNZ LYS 91 -10.902 -5.187 1.035 630 2HZ LYS 91 3HNZ LYS 91 -10.131 -6.202 -0.034 631 3HZ LYS 91 1HNZ LYS 91 -9.489 -5.962 1.443 632 H GLU 92 HN GLU 92 -9.464 2.089 -0.645 633 HA GLU 92 HA GLU 92 -9.398 4.111 1.257 634 1HB GLU 92 2HB GLU 92 -9.376 4.353 -1.249 635 2HB GLU 92 3HB GLU 92 -11.103 3.990 -1.290 636 1HG GLU 92 2HG GLU 92 -10.998 6.327 -1.362 637 2HG GLU 92 3HG GLU 92 -11.400 6.015 0.323 638 H GLU 93 HN GLU 93 -12.388 2.803 -0.200 639 HA GLU 93 HA GLU 93 -13.979 3.757 2.015 640 1HB GLU 93 2HB GLU 93 -15.862 2.984 0.584 641 2HB GLU 93 3HB GLU 93 -14.702 3.981 -0.292 642 1HG GLU 93 2HG GLU 93 -13.670 1.531 -0.935 643 2HG GLU 93 3HG GLU 93 -15.338 1.073 -0.616 644 H GLU 94 HN GLU 94 -11.969 1.477 2.469 645 HA GLU 94 HA GLU 94 -13.865 -0.165 4.059 646 1HB GLU 94 2HB GLU 94 -11.173 -0.884 2.835 647 2HB GLU 94 3HB GLU 94 -11.718 -1.578 4.344 648 1HG GLU 94 2HG GLU 94 -13.840 -2.326 3.097 649 2HG GLU 94 3HG GLU 94 -12.921 -1.985 1.623 650 H ILE 95 HN ILE 95 -11.042 2.084 4.008 651 HA ILE 95 HA ILE 95 -10.669 1.616 6.828 652 HB ILE 95 HB ILE 95 -8.945 3.260 6.762 653 1HG1 ILE 95 2HG1 ILE 95 -9.401 3.577 3.784 654 2HG1 ILE 95 3HG1 ILE 95 -9.942 4.741 5.032 655 1HG2 ILE 95 1HG2 ILE 95 -8.617 0.956 6.226 656 2HG2 ILE 95 2HG2 ILE 95 -8.726 1.238 4.482 657 3HG2 ILE 95 3HG2 ILE 95 -7.398 1.944 5.432 658 1HD1 ILE 95 HD3 ILE 95 -7.052 3.972 4.750 659 2HD1 ILE 95 HD1 ILE 95 -7.833 5.321 3.914 660 3HD1 ILE 95 HD2 ILE 95 -7.794 5.282 5.696 661 H VAL 96 HN VAL 96 -12.169 4.190 4.861 662 HA VAL 96 HA VAL 96 -12.657 5.752 7.333 663 HB VAL 96 HB VAL 96 -13.636 7.427 5.905 664 1HG1 VAL 96 1HG1 VAL 96 -11.153 7.411 6.377 665 2HG1 VAL 96 2HG1 VAL 96 -10.907 6.666 4.787 666 3HG1 VAL 96 3HG1 VAL 96 -11.620 8.269 4.903 667 1HG2 VAL 96 2HG2 VAL 96 -14.506 5.955 4.078 668 2HG2 VAL 96 3HG2 VAL 96 -13.586 7.351 3.492 669 3HG2 VAL 96 1HG2 VAL 96 -12.844 5.747 3.502 No H/Q in entry = 668 Start of MODEL 11 1 1H ALA 1 1HN ALA 1 16.343 -5.879 1.275 2 2H ALA 1 2HN ALA 1 16.194 -4.335 1.813 3 2H ALA 1 3HN ALA 1 16.194 -4.335 1.813 4 HA ALA 1 HA ALA 1 16.255 -3.488 -0.187 5 1HB ALA 1 2HB ALA 1 18.581 -3.839 -0.326 6 2HB ALA 1 3HB ALA 1 18.327 -5.491 -0.977 7 3HB ALA 1 1HB ALA 1 17.769 -4.052 -1.885 8 H THR 2 HN THR 2 14.898 -3.661 -1.784 9 HA THR 2 HA THR 2 13.385 -4.433 -3.209 10 HB THR 2 HB THR 2 15.706 -6.324 -3.749 11 HG1 THR 2 HG1 THR 2 15.622 -3.511 -4.133 12 1HG2 THR 2 3HG2 THR 2 13.843 -4.684 -5.529 13 2HG2 THR 2 1HG2 THR 2 15.400 -5.313 -6.093 14 3HG2 THR 2 2HG2 THR 2 14.152 -6.440 -5.556 15 H TYR 3 HN TYR 3 11.792 -5.258 -1.763 16 HA TYR 3 HA TYR 3 11.867 -8.164 -1.150 17 1HB TYR 3 2HB TYR 3 10.118 -5.974 0.008 18 2HB TYR 3 3HB TYR 3 10.209 -7.632 0.556 19 HD1 TYR 3 HD1 TYR 3 12.938 -8.320 1.000 20 HD2 TYR 3 HD2 TYR 3 11.120 -4.427 1.354 21 HE1 TYR 3 HE1 TYR 3 14.841 -7.540 2.373 22 HE2 TYR 3 HE2 TYR 3 12.866 -3.774 2.946 23 HH TYR 3 HOH TYR 3 15.037 -4.102 3.379 24 H ASN 4 HN ASN 4 9.872 -9.307 -1.139 25 HA ASN 4 HA ASN 4 8.416 -9.023 -3.673 26 1HB ASN 4 2HB ASN 4 9.490 -11.118 -2.882 27 2HB ASN 4 3HB ASN 4 8.438 -11.155 -1.484 28 1HD2 ASN 4 2HND ASN 4 5.562 -12.234 -3.241 29 2HD2 ASN 4 1HND ASN 4 6.088 -11.069 -2.017 30 H VAL 5 HN VAL 5 6.969 -7.272 -3.297 31 HA VAL 5 HA VAL 5 5.262 -7.375 -0.873 32 HB VAL 5 HB VAL 5 5.264 -5.344 -3.112 33 1HG1 VAL 5 2HG1 VAL 5 3.891 -5.472 -0.370 34 2HG1 VAL 5 3HG1 VAL 5 4.059 -3.982 -1.294 35 3HG1 VAL 5 1HG1 VAL 5 3.136 -5.334 -1.955 36 1HG2 VAL 5 3HG2 VAL 5 6.698 -5.303 -0.429 37 2HG2 VAL 5 1HG2 VAL 5 7.419 -5.233 -2.042 38 3HG2 VAL 5 2HG2 VAL 5 6.430 -3.883 -1.463 39 H LYS 6 HN LYS 6 3.400 -8.639 -0.996 40 HA LYS 6 HA LYS 6 2.133 -9.010 -3.637 41 1HB LYS 6 2HB LYS 6 2.340 -10.897 -2.046 42 2HB LYS 6 3HB LYS 6 1.274 -10.018 -0.955 43 1HG LYS 6 2HG LYS 6 -0.485 -9.913 -2.823 44 2HG LYS 6 3HG LYS 6 0.609 -10.851 -3.829 45 1HD LYS 6 2HD LYS 6 -0.624 -11.785 -1.181 46 2HD LYS 6 3HD LYS 6 -1.133 -12.183 -2.808 47 1HE LYS 6 2HE LYS 6 1.411 -12.850 -3.116 48 2HE LYS 6 3HE LYS 6 1.420 -12.983 -1.366 49 1HZ LYS 6 2HNZ LYS 6 -0.472 -14.295 -3.267 50 2HZ LYS 6 3HNZ LYS 6 0.891 -15.031 -2.710 51 3HZ LYS 6 1HNZ LYS 6 -0.359 -14.661 -1.675 52 H LEU 7 HN LEU 7 0.556 -7.888 -4.373 53 HA LEU 7 HA LEU 7 -1.227 -6.310 -2.595 54 1HB LEU 7 2HB LEU 7 -0.813 -5.893 -5.560 55 2HB LEU 7 3HB LEU 7 -1.663 -4.869 -4.454 56 HG LEU 7 HG LEU 7 1.328 -5.412 -4.521 57 1HD1 LEU 7 1HD1 LEU 7 0.567 -4.093 -6.431 58 2HD1 LEU 7 2HD1 LEU 7 -0.193 -2.928 -5.328 59 3HD1 LEU 7 3HD1 LEU 7 1.565 -3.105 -5.355 60 1HD2 LEU 7 1HD2 LEU 7 0.619 -4.841 -2.252 61 2HD2 LEU 7 2HD2 LEU 7 1.580 -3.542 -2.953 62 3HD2 LEU 7 3HD2 LEU 7 -0.181 -3.365 -2.842 63 H ILE 8 HN ILE 8 -2.790 -7.696 -2.033 64 HA ILE 8 HA ILE 8 -3.913 -9.591 -3.969 65 HB ILE 8 HB ILE 8 -4.633 -8.781 -1.157 66 1HG1 ILE 8 2HG1 ILE 8 -3.753 -11.509 -1.971 67 2HG1 ILE 8 3HG1 ILE 8 -2.535 -10.243 -1.768 68 1HG2 ILE 8 2HG2 ILE 8 -5.931 -10.863 -2.963 69 2HG2 ILE 8 3HG2 ILE 8 -6.195 -10.752 -1.213 70 3HG2 ILE 8 1HG2 ILE 8 -6.723 -9.438 -2.259 71 1HD1 ILE 8 HD2 ILE 8 -4.537 -11.032 0.375 72 2HD1 ILE 8 HD3 ILE 8 -2.837 -11.529 0.294 73 3HD1 ILE 8 HD1 ILE 8 -3.244 -9.812 0.496 74 H THR 9 HN THR 9 -4.290 -8.174 -5.677 75 HA THR 9 HA THR 9 -6.206 -6.032 -5.425 76 HB THR 9 HB THR 9 -6.114 -6.101 -7.878 77 HG1 THR 9 HG1 THR 9 -5.629 -8.403 -8.102 78 1HG2 THR 9 1HG2 THR 9 -3.350 -6.259 -6.562 79 2HG2 THR 9 2HG2 THR 9 -3.674 -5.599 -8.168 80 3HG2 THR 9 3HG2 THR 9 -4.350 -4.787 -6.749 81 HA PRO 10 HA PRO 10 -9.922 -8.468 -5.763 82 1HB PRO 10 2HB PRO 10 -10.949 -6.740 -7.903 83 2HB PRO 10 3HB PRO 10 -11.628 -7.088 -6.276 84 1HG PRO 10 2HG PRO 10 -10.445 -4.779 -7.030 85 2HG PRO 10 3HG PRO 10 -10.389 -5.333 -5.340 86 1HD PRO 10 2HD PRO 10 -8.274 -5.336 -7.344 87 2HD PRO 10 3HD PRO 10 -8.157 -5.277 -5.615 88 H ASP 11 HN ASP 11 -8.292 -7.519 -8.745 89 HA ASP 11 HA ASP 11 -9.242 -9.276 -10.702 90 1HB ASP 11 2HB ASP 11 -6.637 -7.823 -10.116 91 2HB ASP 11 3HB ASP 11 -6.662 -9.050 -11.371 92 H GLY 12 HN GLY 12 -7.166 -9.791 -7.948 93 1HA GLY 12 2HA GLY 12 -7.149 -11.823 -6.939 94 2HA GLY 12 3HA GLY 12 -7.036 -12.716 -8.477 95 H GLU 13 HN GLU 13 -5.335 -10.195 -6.633 96 HA GLU 13 HA GLU 13 -3.209 -9.826 -5.989 97 1HB GLU 13 2HB GLU 13 -2.796 -12.692 -6.785 98 2HB GLU 13 3HB GLU 13 -1.636 -11.716 -5.898 99 1HG GLU 13 2HG GLU 13 -2.973 -11.575 -4.003 100 2HG GLU 13 3HG GLU 13 -4.437 -12.156 -4.817 101 H VAL 14 HN VAL 14 -1.082 -9.378 -6.682 102 HA VAL 14 HA VAL 14 -0.452 -9.940 -9.559 103 HB VAL 14 HB VAL 14 0.560 -7.687 -9.769 104 1HG1 VAL 14 1HG1 VAL 14 -1.693 -8.240 -10.669 105 2HG1 VAL 14 2HG1 VAL 14 -2.420 -7.640 -9.161 106 3HG1 VAL 14 3HG1 VAL 14 -1.524 -6.536 -10.219 107 1HG2 VAL 14 1HG2 VAL 14 -0.586 -7.380 -7.008 108 2HG2 VAL 14 2HG2 VAL 14 0.903 -6.707 -7.678 109 3HG2 VAL 14 3HG2 VAL 14 -0.677 -6.004 -8.085 110 H GLU 15 HN GLU 15 1.088 -8.575 -6.681 111 HA GLU 15 HA GLU 15 2.943 -9.074 -5.554 112 1HB GLU 15 2HB GLU 15 2.120 -11.593 -6.316 113 2HB GLU 15 3HB GLU 15 3.768 -11.538 -6.976 114 1HG GLU 15 2HG GLU 15 4.745 -11.133 -4.895 115 2HG GLU 15 3HG GLU 15 3.191 -10.860 -4.105 116 H PHE 16 HN PHE 16 4.925 -8.147 -5.636 117 HA PHE 16 HA PHE 16 6.540 -8.250 -8.043 118 1HB PHE 16 2HB PHE 16 6.341 -6.124 -8.829 119 2HB PHE 16 3HB PHE 16 4.714 -6.717 -8.751 120 HD1 PHE 16 HD1 PHE 16 3.565 -6.167 -6.262 121 HD2 PHE 16 HD2 PHE 16 6.919 -4.046 -7.976 122 HE1 PHE 16 HE1 PHE 16 3.458 -4.522 -4.501 123 HE2 PHE 16 HE2 PHE 16 6.652 -2.324 -6.287 124 HZ PHE 16 HZ PHE 16 4.896 -2.439 -4.622 125 H LYS 17 HN LYS 17 8.367 -6.514 -7.962 126 HA LYS 17 HA LYS 17 9.466 -6.783 -5.267 127 1HB LYS 17 2HB LYS 17 10.533 -7.245 -7.833 128 2HB LYS 17 3HB LYS 17 11.316 -5.768 -7.283 129 1HG LYS 17 2HG LYS 17 12.585 -7.725 -6.642 130 2HG LYS 17 3HG LYS 17 11.986 -6.880 -5.184 131 1HD LYS 17 2HD LYS 17 10.518 -8.605 -4.620 132 2HD LYS 17 3HD LYS 17 10.216 -8.976 -6.303 133 1HE LYS 17 2HE LYS 17 11.410 -10.861 -5.289 134 2HE LYS 17 3HE LYS 17 12.526 -10.057 -6.395 135 1HZ LYS 17 2HNZ LYS 17 13.287 -8.814 -4.265 136 2HZ LYS 17 3HNZ LYS 17 12.470 -9.945 -3.455 137 3HZ LYS 17 1HNZ LYS 17 13.710 -10.403 -4.426 138 H CYS 18 HN CYS 18 9.701 -5.145 -3.918 139 HA CYS 18 HA CYS 18 9.873 -2.366 -5.047 140 1HB CYS 18 2HB CYS 18 7.604 -2.818 -4.211 141 2HB CYS 18 3HB CYS 18 8.345 -3.158 -2.641 142 HG CYS 18 HSG CYS 18 7.474 -0.637 -2.630 143 H ASP 19 HN ASP 19 11.546 -1.206 -4.375 144 HA ASP 19 HA ASP 19 13.500 -2.370 -2.596 145 1HB ASP 19 2HB ASP 19 13.430 0.410 -3.819 146 2HB ASP 19 3HB ASP 19 14.816 -0.417 -3.099 147 H ASP 20 HN ASP 20 14.323 -1.366 -0.657 148 HA ASP 20 HA ASP 20 12.072 -0.584 1.017 149 1HB ASP 20 2HB ASP 20 14.170 -0.466 2.744 150 2HB ASP 20 3HB ASP 20 13.262 -1.894 2.274 151 H ASP 21 HN ASP 21 14.002 1.135 -1.023 152 HA ASP 21 HA ASP 21 13.603 3.704 0.457 153 1HB ASP 21 2HB ASP 21 15.747 2.844 -1.538 154 2HB ASP 21 3HB ASP 21 15.450 4.524 -1.088 155 H VAL 22 HN VAL 22 11.727 2.026 -1.485 156 HA VAL 22 HA VAL 22 11.022 4.457 -3.011 157 HB VAL 22 HB VAL 22 12.463 2.817 -4.399 158 1HG1 VAL 22 1HG1 VAL 22 11.113 0.792 -3.641 159 2HG1 VAL 22 2HG1 VAL 22 9.847 1.339 -4.752 160 3HG1 VAL 22 3HG1 VAL 22 11.470 0.937 -5.368 161 1HG2 VAL 22 3HG2 VAL 22 11.124 4.692 -5.356 162 2HG2 VAL 22 1HG2 VAL 22 11.210 3.275 -6.421 163 3HG2 VAL 22 2HG2 VAL 22 9.731 3.589 -5.500 164 H TYR 23 HN TYR 23 8.796 4.432 -3.804 165 HA TYR 23 HA TYR 23 7.103 3.456 -1.685 166 1HB TYR 23 2HB TYR 23 6.412 4.851 -4.256 167 2HB TYR 23 3HB TYR 23 5.304 4.596 -2.933 168 HD1 TYR 23 HD1 TYR 23 6.654 5.466 -0.534 169 HD2 TYR 23 HD2 TYR 23 6.832 7.104 -4.519 170 HE1 TYR 23 HE1 TYR 23 6.753 7.755 0.401 171 HE2 TYR 23 HE2 TYR 23 7.080 9.379 -3.564 172 HH TYR 23 HOH TYR 23 6.706 10.060 -0.088 173 H VAL 24 HN VAL 24 5.543 1.868 -1.793 174 HA VAL 24 HA VAL 24 5.741 -0.346 -3.460 175 HB VAL 24 HB VAL 24 3.096 0.578 -2.285 176 1HG1 VAL 24 1HG1 VAL 24 3.068 -1.484 -3.715 177 2HG1 VAL 24 2HG1 VAL 24 4.312 -2.167 -2.605 178 3HG1 VAL 24 3HG1 VAL 24 2.688 -1.796 -2.013 179 1HG2 VAL 24 1HG2 VAL 24 5.548 -0.575 -0.929 180 2HG2 VAL 24 2HG2 VAL 24 4.425 0.710 -0.398 181 3HG2 VAL 24 3HG2 VAL 24 3.914 -0.963 -0.338 182 H LEU 25 HN LEU 25 3.223 2.192 -3.890 183 HA LEU 25 HA LEU 25 2.116 1.262 -6.273 184 1HB LEU 25 2HB LEU 25 0.987 3.007 -5.215 185 2HB LEU 25 3HB LEU 25 2.470 3.985 -5.070 186 HG LEU 25 HG LEU 25 2.308 4.259 -7.671 187 1HD1 LEU 25 3HD1 LEU 25 0.598 2.460 -8.007 188 2HD1 LEU 25 1HD1 LEU 25 -0.550 3.408 -7.032 189 3HD1 LEU 25 2HD1 LEU 25 0.051 4.052 -8.567 190 1HD2 LEU 25 1HD2 LEU 25 1.938 6.032 -6.039 191 2HD2 LEU 25 2HD2 LEU 25 0.866 6.112 -7.441 192 3HD2 LEU 25 3HD2 LEU 25 0.243 5.521 -5.873 193 H ASP 26 HN ASP 26 4.837 3.565 -5.946 194 HA ASP 26 HA ASP 26 5.013 4.238 -8.637 195 1HB ASP 26 2HB ASP 26 6.336 4.922 -6.314 196 2HB ASP 26 3HB ASP 26 7.640 4.167 -7.227 197 H GLN 27 HN GLN 27 6.941 1.762 -6.888 198 HA GLN 27 HA GLN 27 8.133 0.615 -9.224 199 1HB GLN 27 2HB GLN 27 7.718 -0.264 -6.384 200 2HB GLN 27 3HB GLN 27 8.092 -1.504 -7.601 201 1HG GLN 27 2HG GLN 27 9.802 0.965 -7.285 202 2HG GLN 27 3HG GLN 27 10.081 -0.546 -6.401 203 1HE2 GLN 27 2HNE GLN 27 10.880 -2.443 -9.421 204 2HE2 GLN 27 1HNE GLN 27 9.922 -2.646 -7.970 205 H ALA 28 HN ALA 28 5.046 -0.189 -7.522 206 HA ALA 28 HA ALA 28 4.327 -2.445 -9.074 207 1HB ALA 28 2HB ALA 28 3.140 -1.158 -7.040 208 2HB ALA 28 3HB ALA 28 2.196 -0.467 -8.387 209 3HB ALA 28 1HB ALA 28 2.273 -2.224 -8.114 210 H GLU 29 HN GLU 29 3.487 0.999 -9.794 211 HA GLU 29 HA GLU 29 2.351 0.376 -12.306 212 1HB GLU 29 2HB GLU 29 3.493 2.971 -11.196 213 2HB GLU 29 3HB GLU 29 2.856 2.835 -12.841 214 1HG GLU 29 2HG GLU 29 0.693 1.972 -11.939 215 2HG GLU 29 3HG GLU 29 1.287 2.260 -10.300 216 H GLU 30 HN GLU 30 5.784 1.174 -11.426 217 HA GLU 30 HA GLU 30 6.853 1.026 -14.043 218 1HB GLU 30 2HB GLU 30 8.110 0.137 -11.450 219 2HB GLU 30 3HB GLU 30 8.944 0.204 -12.985 220 1HG GLU 30 2HG GLU 30 7.530 2.707 -12.049 221 2HG GLU 30 3HG GLU 30 9.058 2.236 -11.299 222 H GLU 31 HN GLU 31 5.824 -1.682 -11.966 223 HA GLU 31 HA GLU 31 6.796 -3.618 -13.941 224 1HB GLU 31 2HB GLU 31 4.828 -4.107 -11.693 225 2HB GLU 31 3HB GLU 31 5.833 -5.273 -12.552 226 1HG GLU 31 2HG GLU 31 7.560 -3.182 -11.546 227 2HG GLU 31 3HG GLU 31 6.420 -3.537 -10.279 228 H GLY 32 HN GLY 32 3.932 -1.789 -13.381 229 1HA GLY 32 2HA GLY 32 2.461 -1.350 -15.286 230 2HA GLY 32 3HA GLY 32 2.490 -3.072 -15.693 231 H ILE 33 HN ILE 33 2.429 -2.488 -12.288 232 HA ILE 33 HA ILE 33 -0.226 -3.654 -12.111 233 HB ILE 33 HB ILE 33 1.711 -2.584 -10.078 234 1HG1 ILE 33 2HG1 ILE 33 1.015 -5.417 -10.833 235 2HG1 ILE 33 3HG1 ILE 33 2.483 -4.532 -11.343 236 1HG2 ILE 33 1HG2 ILE 33 -1.052 -3.760 -9.786 237 2HG2 ILE 33 2HG2 ILE 33 0.146 -4.063 -8.534 238 3HG2 ILE 33 3HG2 ILE 33 -0.248 -2.407 -8.937 239 1HD1 ILE 33 HD1 ILE 33 2.093 -4.828 -8.392 240 2HD1 ILE 33 HD2 ILE 33 2.699 -6.160 -9.388 241 3HD1 ILE 33 HD3 ILE 33 3.529 -4.590 -9.384 242 H ASP 34 HN ASP 34 -2.053 -2.621 -12.099 243 HA ASP 34 HA ASP 34 -2.331 0.290 -11.553 244 1HB ASP 34 2HB ASP 34 -3.425 -0.665 -13.561 245 2HB ASP 34 3HB ASP 34 -4.239 -1.880 -12.564 246 H ILE 35 HN ILE 35 -2.754 0.976 -9.539 247 HA ILE 35 HA ILE 35 -4.744 -0.498 -8.011 248 HB ILE 35 HB ILE 35 -3.522 -0.211 -5.910 249 1HG1 ILE 35 2HG1 ILE 35 -1.160 0.684 -7.601 250 2HG1 ILE 35 3HG1 ILE 35 -2.053 1.624 -6.391 251 1HG2 ILE 35 1HG2 ILE 35 -3.497 -2.345 -7.140 252 2HG2 ILE 35 2HG2 ILE 35 -2.000 -1.847 -7.938 253 3HG2 ILE 35 3HG2 ILE 35 -2.023 -2.123 -6.205 254 1HD1 ILE 35 HD2 ILE 35 -1.324 -0.124 -4.659 255 2HD1 ILE 35 HD3 ILE 35 -0.182 -0.704 -5.901 256 3HD1 ILE 35 HD1 ILE 35 -0.069 0.945 -5.293 257 HA PRO 36 HA PRO 36 -6.465 3.401 -7.954 258 1HB PRO 36 2HB PRO 36 -7.793 3.587 -5.502 259 2HB PRO 36 3HB PRO 36 -8.345 2.675 -6.939 260 1HG PRO 36 2HG PRO 36 -6.852 1.626 -4.547 261 2HG PRO 36 3HG PRO 36 -8.272 0.926 -5.406 262 1HD PRO 36 2HD PRO 36 -5.759 0.056 -5.871 263 2HD PRO 36 3HD PRO 36 -6.934 0.215 -7.223 264 H TYR 37 HN TYR 37 -5.652 5.410 -7.712 265 HA TYR 37 HA TYR 37 -4.330 6.460 -5.371 266 1HB TYR 37 2HB TYR 37 -2.305 5.595 -5.855 267 2HB TYR 37 3HB TYR 37 -2.864 4.876 -7.345 268 HD1 TYR 37 HD1 TYR 37 -1.198 7.801 -5.885 269 HD2 TYR 37 HD2 TYR 37 -2.492 5.867 -9.512 270 HE1 TYR 37 HE1 TYR 37 0.326 9.233 -7.215 271 HE2 TYR 37 HE2 TYR 37 -1.053 7.385 -10.837 272 HH TYR 37 HOH TYR 37 0.934 9.933 -9.282 273 H SER 38 HN SER 38 -4.242 8.748 -5.677 274 HA SER 38 HA SER 38 -5.022 9.926 -8.255 275 1HB SER 38 2HB SER 38 -7.131 10.896 -7.237 276 2HB SER 38 3HB SER 38 -7.153 9.157 -7.554 277 HG SER 38 HOG SER 38 -6.544 8.899 -5.287 278 H CYS 39 HN CYS 39 -2.900 10.233 -5.982 279 HA CYS 39 HA CYS 39 -2.213 12.842 -6.535 280 1HB CYS 39 2HB CYS 39 -2.772 14.127 -4.862 281 2HB CYS 39 3HB CYS 39 -4.101 13.026 -4.570 282 H ARG 40 HN ARG 40 -0.292 13.199 -4.507 283 HA ARG 40 HA ARG 40 0.463 10.845 -3.336 284 1HB ARG 40 2HB ARG 40 1.469 10.627 -5.902 285 2HB ARG 40 3HB ARG 40 2.827 11.355 -5.119 286 1HG ARG 40 2HG ARG 40 1.979 9.325 -3.317 287 2HG ARG 40 3HG ARG 40 1.720 8.627 -4.900 288 1HD ARG 40 2HD ARG 40 4.336 9.689 -3.709 289 2HD ARG 40 3HD ARG 40 3.858 8.019 -3.937 290 HE ARG 40 HNE ARG 40 4.290 8.030 -6.188 291 1HH1 ARG 40 2HN2 ARG 40 4.845 11.279 -4.905 292 2HH1 ARG 40 1HN2 ARG 40 6.032 11.698 -6.101 293 1HH2 ARG 40 2HN1 ARG 40 5.912 8.496 -7.658 294 2HH2 ARG 40 1HN1 ARG 40 6.575 10.097 -7.807 295 H ALA 41 HN ALA 41 0.216 12.478 -1.727 296 HA ALA 41 HA ALA 41 2.825 13.809 -1.139 297 1HB ALA 41 1HB ALA 41 0.127 15.221 -1.018 298 2HB ALA 41 2HB ALA 41 1.671 15.847 -0.393 299 3HB ALA 41 3HB ALA 41 1.467 15.565 -2.132 300 H GLY 42 HN GLY 42 -0.426 13.664 0.411 301 1HA GLY 42 2HA GLY 42 -0.503 11.909 2.274 302 2HA GLY 42 3HA GLY 42 0.895 12.775 2.952 303 H SER 43 HN SER 43 -2.489 12.937 2.003 304 HA SER 43 HA SER 43 -3.306 14.790 3.997 305 1HB SER 43 2HB SER 43 -3.810 16.728 2.399 306 2HB SER 43 3HB SER 43 -2.123 16.534 2.882 307 HG SER 43 HOG SER 43 -3.279 15.687 0.422 308 H CYS 44 HN CYS 44 -3.875 13.484 0.679 309 HA CYS 44 HA CYS 44 -6.672 14.004 0.748 310 1HB CYS 44 2HB CYS 44 -6.809 12.996 -1.227 311 2HB CYS 44 3HB CYS 44 -5.102 13.413 -1.273 312 H SER 45 HN SER 45 -8.381 12.408 0.914 313 HA SER 45 HA SER 45 -7.833 10.266 2.920 314 1HB SER 45 2HB SER 45 -10.210 10.561 3.524 315 2HB SER 45 3HB SER 45 -9.248 12.027 3.803 316 HG SER 45 HOG SER 45 -10.827 11.476 1.508 317 H SER 46 HN SER 46 -7.101 9.046 0.917 318 HA SER 46 HA SER 46 -9.316 7.513 -0.168 319 1HB SER 46 2HB SER 46 -7.501 9.191 -1.971 320 2HB SER 46 3HB SER 46 -8.605 7.940 -2.566 321 HG SER 46 HOG SER 46 -9.981 9.544 -0.955 322 H CYS 47 HN CYS 47 -7.557 6.294 -2.227 323 HA CYS 47 HA CYS 47 -5.975 4.683 -2.425 324 1HB CYS 47 2HB CYS 47 -3.811 5.665 -2.302 325 2HB CYS 47 3HB CYS 47 -4.996 6.795 -2.954 326 H ALA 48 HN ALA 48 -6.488 2.883 -1.059 327 HA ALA 48 HA ALA 48 -4.558 2.572 1.120 328 1HB ALA 48 2HB ALA 48 -7.545 2.545 1.699 329 2HB ALA 48 3HB ALA 48 -6.267 2.050 2.832 330 3HB ALA 48 1HB ALA 48 -6.355 3.733 2.280 331 H GLY 49 HN GLY 49 -4.594 0.522 2.156 332 1HA GLY 49 2HA GLY 49 -5.844 -1.678 0.746 333 2HA GLY 49 3HA GLY 49 -4.071 -1.646 0.761 334 H LYS 50 HN LYS 50 -5.601 -3.734 2.034 335 HA LYS 50 HA LYS 50 -5.474 -3.221 4.874 336 1HB LYS 50 2HB LYS 50 -7.322 -4.336 3.423 337 2HB LYS 50 3HB LYS 50 -6.358 -5.806 3.564 338 1HG LYS 50 2HG LYS 50 -6.578 -5.809 5.977 339 2HG LYS 50 3HG LYS 50 -7.176 -4.133 5.964 340 1HD LYS 50 2HD LYS 50 -9.074 -4.848 4.535 341 2HD LYS 50 3HD LYS 50 -8.632 -6.545 4.838 342 1HE LYS 50 2HE LYS 50 -8.991 -6.321 7.226 343 2HE LYS 50 3HE LYS 50 -9.045 -4.574 7.148 344 1HZ LYS 50 3HNZ LYS 50 -11.113 -6.211 5.858 345 2HZ LYS 50 1HNZ LYS 50 -11.246 -5.518 7.354 346 3HZ LYS 50 2HNZ LYS 50 -11.070 -4.570 6.034 347 H VAL 51 HN VAL 51 -3.601 -3.754 5.982 348 HA VAL 51 HA VAL 51 -1.431 -5.294 4.860 349 HB VAL 51 HB VAL 51 -2.058 -4.599 7.795 350 1HG1 VAL 51 3HG1 VAL 51 -0.323 -6.346 7.587 351 2HG1 VAL 51 1HG1 VAL 51 0.618 -5.287 6.505 352 3HG1 VAL 51 2HG1 VAL 51 0.330 -4.825 8.200 353 1HG2 VAL 51 3HG2 VAL 51 -0.484 -3.024 5.746 354 2HG2 VAL 51 1HG2 VAL 51 -1.941 -2.514 6.657 355 3HG2 VAL 51 2HG2 VAL 51 -0.410 -2.695 7.492 356 H VAL 52 HN VAL 52 -1.516 -7.451 4.534 357 HA VAL 52 HA VAL 52 -3.272 -9.159 6.230 358 HB VAL 52 HB VAL 52 -1.560 -9.701 3.815 359 1HG1 VAL 52 2HG1 VAL 52 -3.555 -11.528 5.224 360 2HG1 VAL 52 3HG1 VAL 52 -2.772 -11.875 3.667 361 3HG1 VAL 52 1HG1 VAL 52 -1.796 -11.776 5.134 362 1HG2 VAL 52 2HG2 VAL 52 -4.553 -9.278 4.150 363 2HG2 VAL 52 3HG2 VAL 52 -3.412 -8.341 3.158 364 3HG2 VAL 52 1HG2 VAL 52 -3.833 -9.996 2.701 365 H SER 53 HN SER 53 0.219 -8.753 5.324 366 HA SER 53 HA SER 53 1.059 -9.666 7.931 367 1HB SER 53 2HB SER 53 0.559 -11.858 6.659 368 2HB SER 53 3HB SER 53 1.886 -11.420 5.574 369 HG SER 53 HOG SER 53 1.957 -11.971 8.356 370 H GLY 54 HN GLY 54 3.578 -9.964 7.757 371 1HA GLY 54 2HA GLY 54 5.617 -8.835 7.393 372 2HA GLY 54 3HA GLY 54 4.979 -8.229 5.890 373 H SER 55 HN SER 55 6.236 -6.270 6.681 374 HA SER 55 HA SER 55 4.318 -4.394 7.898 375 1HB SER 55 2HB SER 55 7.235 -4.418 8.719 376 2HB SER 55 3HB SER 55 5.911 -3.480 9.414 377 HG SER 55 HOG SER 55 6.496 -5.342 10.690 378 H ILE 56 HN ILE 56 4.715 -2.248 7.221 379 HA ILE 56 HA ILE 56 6.874 -1.647 5.354 380 HB ILE 56 HB ILE 56 5.351 -0.373 3.930 381 1HG1 ILE 56 2HG1 ILE 56 3.062 -1.632 5.454 382 2HG1 ILE 56 3HG1 ILE 56 3.493 0.079 5.380 383 1HG2 ILE 56 3HG2 ILE 56 5.767 -3.111 3.748 384 2HG2 ILE 56 1HG2 ILE 56 4.016 -2.942 3.555 385 3HG2 ILE 56 2HG2 ILE 56 5.097 -2.064 2.481 386 1HD1 ILE 56 HD1 ILE 56 3.286 -0.430 2.708 387 2HD1 ILE 56 HD2 ILE 56 2.146 -1.630 3.328 388 3HD1 ILE 56 HD3 ILE 56 1.927 0.092 3.702 389 H ASP 57 HN ASP 57 6.984 0.808 5.193 390 HA ASP 57 HA ASP 57 6.184 2.107 7.769 391 1HB ASP 57 2HB ASP 57 8.600 2.037 7.612 392 2HB ASP 57 3HB ASP 57 8.563 2.527 5.911 393 H GLN 58 HN GLN 58 4.284 3.116 7.298 394 HA GLN 58 HA GLN 58 4.227 4.881 4.880 395 1HB GLN 58 2HB GLN 58 1.776 4.899 5.398 396 2HB GLN 58 3HB GLN 58 2.423 3.374 4.772 397 1HG GLN 58 2HG GLN 58 2.426 2.356 6.957 398 2HG GLN 58 3HG GLN 58 2.146 3.930 7.733 399 1HE2 GLN 58 2HNE GLN 58 -1.121 2.359 7.820 400 2HE2 GLN 58 1HNE GLN 58 0.467 2.217 8.576 401 H SER 59 HN SER 59 5.890 5.551 7.150 402 HA SER 59 HA SER 59 4.756 7.440 8.834 403 1HB SER 59 2HB SER 59 7.141 6.809 8.852 404 2HB SER 59 3HB SER 59 7.391 7.593 7.286 405 HG SER 59 HOG SER 59 6.534 8.878 9.684 406 H ASP 60 HN ASP 60 5.616 7.771 5.399 407 HA ASP 60 HA ASP 60 5.003 10.577 5.220 408 1HB ASP 60 2HB ASP 60 6.795 9.229 3.987 409 2HB ASP 60 3HB ASP 60 5.492 8.534 3.004 410 H GLN 61 HN GLN 61 2.754 9.268 6.185 411 HA GLN 61 HA GLN 61 0.801 8.945 3.966 412 1HB GLN 61 2HB GLN 61 1.048 7.046 5.375 413 2HB GLN 61 3HB GLN 61 0.894 8.007 6.861 414 1HG GLN 61 2HG GLN 61 -1.471 8.441 6.354 415 2HG GLN 61 3HG GLN 61 -1.290 7.634 4.797 416 1HE2 GLN 61 2HNE GLN 61 -1.290 5.296 8.212 417 2HE2 GLN 61 1HNE GLN 61 -0.957 6.996 8.397 418 H SER 62 HN SER 62 0.534 10.109 7.356 419 HA SER 62 HA SER 62 -0.892 11.631 8.263 420 1HB SER 62 2HB SER 62 0.829 13.049 6.937 421 2HB SER 62 3HB SER 62 -0.492 13.345 5.798 422 HG SER 62 HOG SER 62 -0.545 14.945 7.331 423 H PHE 63 HN PHE 63 -2.470 9.775 7.602 424 HA PHE 63 HA PHE 63 -4.891 11.063 6.934 425 1HB PHE 63 2HB PHE 63 -4.460 10.792 4.614 426 2HB PHE 63 3HB PHE 63 -3.863 9.148 4.841 427 HD1 PHE 63 HD1 PHE 63 -7.065 10.467 6.363 428 HD2 PHE 63 HD2 PHE 63 -5.292 8.135 3.174 429 HE1 PHE 63 HE1 PHE 63 -9.136 9.172 6.153 430 HE2 PHE 63 HE2 PHE 63 -7.382 6.848 2.998 431 HZ PHE 63 HZ PHE 63 -9.276 7.304 4.507 432 H LEU 64 HN LEU 64 -3.709 7.572 6.770 433 HA LEU 64 HA LEU 64 -6.102 6.670 7.872 434 1HB LEU 64 2HB LEU 64 -3.446 5.341 7.697 435 2HB LEU 64 3HB LEU 64 -4.636 4.633 8.719 436 HG LEU 64 HG LEU 64 -6.276 4.480 6.929 437 1HD1 LEU 64 1HD1 LEU 64 -4.167 5.907 5.299 438 2HD1 LEU 64 2HD1 LEU 64 -5.452 4.936 4.545 439 3HD1 LEU 64 3HD1 LEU 64 -5.861 6.340 5.545 440 1HD2 LEU 64 1HD2 LEU 64 -4.727 2.713 7.379 441 2HD2 LEU 64 2HD2 LEU 64 -5.104 2.781 5.637 442 3HD2 LEU 64 3HD2 LEU 64 -3.540 3.401 6.238 443 H ASP 65 HN ASP 65 -6.747 5.992 9.842 444 HA ASP 65 HA ASP 65 -5.653 7.472 12.150 445 1HB ASP 65 2HB ASP 65 -8.054 5.622 11.988 446 2HB ASP 65 3HB ASP 65 -7.635 6.683 13.339 447 H ASP 66 HN ASP 66 -5.281 6.339 14.200 448 HA ASP 66 HA ASP 66 -3.469 4.185 14.061 449 1HB ASP 66 2HB ASP 66 -5.235 5.135 16.371 450 2HB ASP 66 3HB ASP 66 -3.840 4.055 16.514 451 H GLU 67 HN GLU 67 -6.964 4.363 14.638 452 HA GLU 67 HA GLU 67 -7.500 1.710 15.274 453 1HB GLU 67 2HB GLU 67 -9.495 3.151 13.514 454 2HB GLU 67 3HB GLU 67 -9.695 2.252 15.013 455 1HG GLU 67 2HG GLU 67 -8.498 4.258 16.127 456 2HG GLU 67 3HG GLU 67 -8.845 5.104 14.601 457 H GLN 68 HN GLN 68 -7.844 3.244 12.021 458 HA GLN 68 HA GLN 68 -8.221 0.965 10.515 459 1HB GLN 68 2HB GLN 68 -6.742 3.509 9.810 460 2HB GLN 68 3HB GLN 68 -7.318 2.332 8.628 461 1HG GLN 68 2HG GLN 68 -9.593 2.630 9.167 462 2HG GLN 68 3HG GLN 68 -9.227 3.601 10.593 463 1HE2 GLN 68 2HNE GLN 68 -10.181 5.864 7.829 464 2HE2 GLN 68 1HNE GLN 68 -10.957 4.458 8.510 465 H MET 69 HN MET 69 -4.995 2.497 11.297 466 HA MET 69 HA MET 69 -3.401 0.593 9.989 467 1HB MET 69 2HB MET 69 -2.860 2.168 12.529 468 2HB MET 69 3HB MET 69 -1.668 1.215 11.636 469 1HG MET 69 2HG MET 69 -2.182 2.575 9.577 470 2HG MET 69 3HG MET 69 -3.268 3.525 10.561 471 1HE MET 69 HE2 MET 69 -2.317 5.719 10.082 472 2HE MET 69 HE3 MET 69 -2.560 5.587 11.838 473 3HE MET 69 HE1 MET 69 -1.108 6.395 11.203 474 H ASP 70 HN ASP 70 -4.358 0.519 13.452 475 HA ASP 70 HA ASP 70 -3.158 -1.958 14.108 476 1HB ASP 70 2HB ASP 70 -4.012 -0.255 15.740 477 2HB ASP 70 3HB ASP 70 -5.665 -0.658 15.272 478 H ALA 71 HN ALA 71 -6.346 -1.126 12.936 479 HA ALA 71 HA ALA 71 -7.641 -3.660 13.055 480 1HB ALA 71 2HB ALA 71 -8.076 -1.242 11.270 481 2HB ALA 71 3HB ALA 71 -9.235 -2.579 11.454 482 3HB ALA 71 1HB ALA 71 -8.845 -1.531 12.838 483 H GLY 72 HN GLY 72 -5.224 -2.402 10.850 484 1HA GLY 72 2HA GLY 72 -3.949 -4.097 9.749 485 2HA GLY 72 3HA GLY 72 -5.418 -4.918 9.262 486 H TYR 73 HN TYR 73 -4.990 -1.323 9.086 487 HA TYR 73 HA TYR 73 -5.012 -1.606 6.109 488 1HB TYR 73 2HB TYR 73 -6.256 0.514 7.830 489 2HB TYR 73 3HB TYR 73 -6.107 0.582 6.085 490 HD1 TYR 73 HD2 TYR 73 -7.111 -1.206 4.621 491 HD2 TYR 73 HD1 TYR 73 -8.081 -0.815 8.804 492 HE1 TYR 73 HE2 TYR 73 -9.245 -2.380 4.244 493 HE2 TYR 73 HE1 TYR 73 -10.237 -1.936 8.409 494 HH TYR 73 HOH TYR 73 -11.338 -2.856 5.130 495 H VAL 74 HN VAL 74 -4.154 0.092 4.831 496 HA VAL 74 HA VAL 74 -1.879 1.558 5.859 497 HB VAL 74 HB VAL 74 -1.716 -1.159 5.019 498 1HG1 VAL 74 1HG1 VAL 74 -1.703 -0.509 2.684 499 2HG1 VAL 74 2HG1 VAL 74 -0.256 0.493 2.968 500 3HG1 VAL 74 3HG1 VAL 74 -0.191 -1.256 3.207 501 1HG2 VAL 74 3HG2 VAL 74 -0.314 -0.033 6.720 502 2HG2 VAL 74 1HG2 VAL 74 0.631 -0.979 5.561 503 3HG2 VAL 74 2HG2 VAL 74 0.568 0.781 5.406 504 H LEU 75 HN LEU 75 -0.892 2.824 4.125 505 HA LEU 75 HA LEU 75 -2.850 3.904 2.309 506 1HB LEU 75 2HB LEU 75 -0.814 4.929 3.768 507 2HB LEU 75 3HB LEU 75 0.086 4.676 2.306 508 HG LEU 75 HG LEU 75 -0.776 6.928 2.570 509 1HD1 LEU 75 3HD1 LEU 75 -0.437 5.871 0.320 510 2HD1 LEU 75 1HD1 LEU 75 -2.184 5.560 0.265 511 3HD1 LEU 75 2HD1 LEU 75 -1.573 7.228 0.351 512 1HD2 LEU 75 2HD2 LEU 75 -3.243 5.765 3.357 513 2HD2 LEU 75 3HD2 LEU 75 -2.835 7.483 3.226 514 3HD2 LEU 75 1HD2 LEU 75 -3.553 6.652 1.862 515 H THR 76 HN THR 76 0.385 2.447 1.827 516 HA THR 76 HA THR 76 1.224 1.154 0.188 517 HB THR 76 HB THR 76 -1.219 1.274 -1.589 518 HG1 THR 76 HG1 THR 76 -2.113 0.794 0.335 519 1HG2 THR 76 1HG2 THR 76 0.769 -0.920 -0.881 520 2HG2 THR 76 2HG2 THR 76 -0.552 -1.037 -2.058 521 3HG2 THR 76 3HG2 THR 76 0.794 0.073 -2.364 522 H CYS 77 HN CYS 77 -0.897 3.667 -1.246 523 HA CYS 77 HA CYS 77 0.373 4.319 -3.539 524 1HB CYS 77 2HB CYS 77 -1.273 5.748 -3.569 525 2HB CYS 77 3HB CYS 77 -1.540 5.503 -1.864 526 H HIS 78 HN HIS 78 1.426 5.434 -0.350 527 HA HIS 78 HA HIS 78 4.139 5.767 -1.451 528 1HB HIS 78 2HB HIS 78 4.402 7.961 -0.214 529 2HB HIS 78 3HB HIS 78 3.420 7.973 -1.674 530 HD1 HIS 78 HND HIS 78 2.387 10.253 -0.693 531 HD2 HIS 78 HD HIS 78 1.624 6.729 1.480 532 HE1 HIS 78 HE HIS 78 0.402 10.713 0.791 533 H ALA 79 HN ALA 79 3.526 3.586 -0.153 534 HA ALA 79 HA ALA 79 4.741 3.956 2.594 535 1HB ALA 79 3HB ALA 79 2.588 2.737 2.533 536 2HB ALA 79 1HB ALA 79 3.323 1.543 1.447 537 3HB ALA 79 2HB ALA 79 3.964 1.764 3.096 538 H TYR 80 HN TYR 80 6.575 2.782 3.112 539 HA TYR 80 HA TYR 80 8.259 1.860 0.805 540 1HB TYR 80 2HB TYR 80 8.950 2.749 3.620 541 2HB TYR 80 3HB TYR 80 10.059 2.059 2.436 542 HD1 TYR 80 HD2 TYR 80 10.750 3.298 0.465 543 HD2 TYR 80 HD1 TYR 80 7.999 5.025 3.289 544 HE1 TYR 80 HE2 TYR 80 10.968 5.494 -0.665 545 HE2 TYR 80 HE1 TYR 80 8.284 7.234 2.223 546 HH TYR 80 HOH TYR 80 9.254 8.412 0.490 547 HA PRO 81 HA PRO 81 7.479 -2.160 2.736 548 1HB PRO 81 2HB PRO 81 8.979 -3.675 0.927 549 2HB PRO 81 3HB PRO 81 7.276 -3.184 0.741 550 1HG PRO 81 2HG PRO 81 9.660 -2.122 -0.698 551 2HG PRO 81 3HG PRO 81 7.902 -1.968 -1.039 552 1HD PRO 81 2HD PRO 81 9.573 0.015 0.063 553 2HD PRO 81 3HD PRO 81 7.823 0.051 -0.274 554 H THR 82 HN THR 82 8.528 -2.712 4.626 555 HA THR 82 HA THR 82 11.446 -2.281 4.793 556 HB THR 82 HB THR 82 10.906 -2.834 7.238 557 HG1 THR 82 HG1 THR 82 8.617 -3.562 6.491 558 1HG2 THR 82 2HG2 THR 82 9.698 -0.375 5.896 559 2HG2 THR 82 3HG2 THR 82 10.067 -0.531 7.625 560 3HG2 THR 82 1HG2 THR 82 11.381 -0.565 6.435 561 H SER 83 HN SER 83 9.306 -4.894 4.115 562 HA SER 83 HA SER 83 11.478 -6.732 3.986 563 1HB SER 83 2HB SER 83 9.188 -7.300 5.951 564 2HB SER 83 3HB SER 83 10.446 -8.464 5.506 565 HG SER 83 HOG SER 83 11.687 -6.277 6.329 566 H ASP 84 HN ASP 84 10.141 -9.064 3.510 567 HA ASP 84 HA ASP 84 8.358 -8.711 1.270 568 1HB ASP 84 2HB ASP 84 7.860 -11.097 1.776 569 2HB ASP 84 3HB ASP 84 9.583 -10.769 1.532 570 H VAL 85 HN VAL 85 6.200 -8.451 1.366 571 HA VAL 85 HA VAL 85 4.709 -8.484 3.870 572 HB VAL 85 HB VAL 85 5.786 -6.324 4.072 573 1HG1 VAL 85 3HG1 VAL 85 5.347 -6.171 1.158 574 2HG1 VAL 85 1HG1 VAL 85 5.008 -4.657 1.997 575 3HG1 VAL 85 2HG1 VAL 85 6.592 -5.414 2.157 576 1HG2 VAL 85 2HG2 VAL 85 3.310 -6.416 4.565 577 2HG2 VAL 85 3HG2 VAL 85 4.028 -4.867 4.356 578 3HG2 VAL 85 1HG2 VAL 85 3.052 -5.565 3.034 579 H VAL 86 HN VAL 86 2.480 -8.308 3.670 580 HA VAL 86 HA VAL 86 1.479 -8.820 0.915 581 HB VAL 86 HB VAL 86 0.726 -10.380 3.425 582 1HG1 VAL 86 1HG1 VAL 86 -0.098 -10.591 0.509 583 2HG1 VAL 86 2HG1 VAL 86 -0.460 -11.838 1.711 584 3HG1 VAL 86 3HG1 VAL 86 -1.152 -10.213 1.833 585 1HG2 VAL 86 2HG2 VAL 86 2.427 -11.197 1.012 586 2HG2 VAL 86 3HG2 VAL 86 2.981 -11.080 2.695 587 3HG2 VAL 86 1HG2 VAL 86 1.814 -12.324 2.238 588 H ILE 87 HN ILE 87 -0.063 -7.374 0.491 589 HA ILE 87 HA ILE 87 -1.859 -6.520 2.631 590 HB ILE 87 HB ILE 87 -0.362 -4.810 2.701 591 1HG1 ILE 87 2HG1 ILE 87 -2.745 -4.025 1.960 592 2HG1 ILE 87 3HG1 ILE 87 -1.418 -2.867 2.032 593 1HG2 ILE 87 2HG2 ILE 87 0.228 -4.981 -0.185 594 2HG2 ILE 87 3HG2 ILE 87 0.740 -3.641 0.863 595 3HG2 ILE 87 1HG2 ILE 87 1.299 -5.287 1.189 596 1HD1 ILE 87 HD2 ILE 87 -1.885 -4.405 -0.502 597 2HD1 ILE 87 HD3 ILE 87 -2.832 -2.968 -0.170 598 3HD1 ILE 87 HD1 ILE 87 -1.068 -2.855 -0.254 599 H GLU 88 HN GLU 88 -3.924 -5.869 1.816 600 HA GLU 88 HA GLU 88 -4.569 -6.776 -0.974 601 1HB GLU 88 2HB GLU 88 -6.447 -5.897 1.170 602 2HB GLU 88 3HB GLU 88 -6.861 -6.758 -0.326 603 1HG GLU 88 2HG GLU 88 -5.954 -8.800 0.670 604 2HG GLU 88 3HG GLU 88 -5.387 -7.867 2.069 605 H THR 89 HN THR 89 -4.687 -5.166 -2.492 606 HA THR 89 HA THR 89 -4.853 -2.347 -1.594 607 HB THR 89 HB THR 89 -4.680 -2.005 -4.147 608 HG1 THR 89 HG1 THR 89 -5.347 -4.313 -4.489 609 1HG2 THR 89 3HG2 THR 89 -2.516 -3.517 -2.652 610 2HG2 THR 89 1HG2 THR 89 -2.281 -2.516 -4.090 611 3HG2 THR 89 2HG2 THR 89 -2.805 -1.763 -2.581 612 H HIS 90 HN HIS 90 -6.369 -0.914 -2.936 613 HA HIS 90 HA HIS 90 -8.406 -0.204 -3.547 614 1HB HIS 90 2HB HIS 90 -9.264 -3.103 -3.927 615 2HB HIS 90 3HB HIS 90 -10.111 -1.664 -4.460 616 HD1 HIS 90 HND HIS 90 -6.349 -2.009 -5.216 617 HD2 HIS 90 HD HIS 90 -10.132 -2.453 -6.972 618 HE1 HIS 90 HE HIS 90 -5.939 -2.607 -7.646 619 H LYS 91 HN LYS 91 -7.961 0.027 -0.989 620 HA LYS 91 HA LYS 91 -10.478 -0.884 0.373 621 1HB LYS 91 2HB LYS 91 -7.728 -0.479 1.578 622 2HB LYS 91 3HB LYS 91 -9.157 -1.133 2.369 623 1HG LYS 91 2HG LYS 91 -7.804 -2.464 -0.052 624 2HG LYS 91 3HG LYS 91 -7.567 -2.915 1.634 625 1HD LYS 91 2HD LYS 91 -9.712 -3.462 1.999 626 2HD LYS 91 3HD LYS 91 -10.308 -2.913 0.433 627 1HE LYS 91 2HE LYS 91 -9.497 -4.685 -0.771 628 2HE LYS 91 3HE LYS 91 -8.206 -4.979 0.386 629 1HZ LYS 91 3HNZ LYS 91 -9.831 -5.703 1.982 630 2HZ LYS 91 1HNZ LYS 91 -11.064 -5.485 0.953 631 3HZ LYS 91 2HNZ LYS 91 -9.810 -6.679 0.729 632 H GLU 92 HN GLU 92 -9.561 1.730 -1.014 633 HA GLU 92 HA GLU 92 -9.578 3.863 0.823 634 1HB GLU 92 2HB GLU 92 -9.131 4.124 -1.528 635 2HB GLU 92 3HB GLU 92 -10.704 3.485 -2.002 636 1HG GLU 92 2HG GLU 92 -10.804 5.884 -0.229 637 2HG GLU 92 3HG GLU 92 -10.097 6.127 -1.846 638 H GLU 93 HN GLU 93 -12.475 2.590 -0.918 639 HA GLU 93 HA GLU 93 -14.192 3.723 1.059 640 1HB GLU 93 2HB GLU 93 -15.988 2.851 -0.378 641 2HB GLU 93 3HB GLU 93 -14.731 3.644 -1.329 642 1HG GLU 93 2HG GLU 93 -13.756 1.345 -1.842 643 2HG GLU 93 3HG GLU 93 -15.147 0.641 -1.004 644 H GLU 94 HN GLU 94 -12.383 1.648 2.177 645 HA GLU 94 HA GLU 94 -14.483 -0.003 3.520 646 1HB GLU 94 2HB GLU 94 -11.523 -0.692 3.189 647 2HB GLU 94 3HB GLU 94 -12.641 -1.403 4.352 648 1HG GLU 94 2HG GLU 94 -14.035 -2.272 2.465 649 2HG GLU 94 3HG GLU 94 -12.790 -1.720 1.341 650 H ILE 95 HN ILE 95 -11.391 1.850 3.806 651 HA ILE 95 HA ILE 95 -11.473 1.732 6.613 652 HB ILE 95 HB ILE 95 -9.514 3.163 6.558 653 1HG1 ILE 95 2HG1 ILE 95 -9.984 3.346 3.552 654 2HG1 ILE 95 3HG1 ILE 95 -10.296 4.660 4.709 655 1HG2 ILE 95 2HG2 ILE 95 -9.468 0.746 6.131 656 2HG2 ILE 95 3HG2 ILE 95 -9.458 1.020 4.384 657 3HG2 ILE 95 1HG2 ILE 95 -8.113 1.593 5.381 658 1HD1 ILE 95 HD3 ILE 95 -7.565 3.442 4.342 659 2HD1 ILE 95 HD1 ILE 95 -8.203 4.842 3.463 660 3HD1 ILE 95 HD2 ILE 95 -8.027 4.911 5.238 661 H VAL 96 HN VAL 96 -12.675 4.257 4.445 662 HA VAL 96 HA VAL 96 -13.080 6.109 6.703 663 HB VAL 96 HB VAL 96 -14.051 7.612 5.061 664 1HG1 VAL 96 2HG1 VAL 96 -11.570 7.542 5.472 665 2HG1 VAL 96 3HG1 VAL 96 -11.413 6.510 4.031 666 3HG1 VAL 96 1HG1 VAL 96 -12.020 8.163 3.875 667 1HG2 VAL 96 2HG2 VAL 96 -15.060 5.998 3.480 668 2HG2 VAL 96 3HG2 VAL 96 -13.987 7.135 2.652 669 3HG2 VAL 96 1HG2 VAL 96 -13.445 5.479 2.963 No H/Q in entry = 668 Start of MODEL 12 1 1H ALA 1 1HN ALA 1 17.431 -2.521 0.242 2 2H ALA 1 2HN ALA 1 16.445 -2.552 -0.994 3 2H ALA 1 3HN ALA 1 16.445 -2.552 -0.994 4 HA ALA 1 HA ALA 1 18.065 -4.856 -0.559 5 1HB ALA 1 1HB ALA 1 17.237 -4.247 1.692 6 2HB ALA 1 2HB ALA 1 15.572 -4.324 1.075 7 3HB ALA 1 3HB ALA 1 16.576 -5.783 1.103 8 H THR 2 HN THR 2 14.716 -3.749 -1.153 9 HA THR 2 HA THR 2 13.238 -4.262 -2.731 10 HB THR 2 HB THR 2 15.359 -5.873 -4.146 11 HG1 THR 2 HG1 THR 2 14.486 -3.293 -4.847 12 1HG2 THR 2 2HG2 THR 2 12.681 -4.769 -5.079 13 2HG2 THR 2 3HG2 THR 2 13.948 -5.426 -6.136 14 3HG2 THR 2 1HG2 THR 2 13.158 -6.482 -4.950 15 H TYR 3 HN TYR 3 11.643 -5.244 -1.714 16 HA TYR 3 HA TYR 3 12.027 -8.095 -0.868 17 1HB TYR 3 2HB TYR 3 10.178 -5.950 0.210 18 2HB TYR 3 3HB TYR 3 10.290 -7.592 0.800 19 HD1 TYR 3 HD2 TYR 3 12.951 -8.306 1.295 20 HD2 TYR 3 HD1 TYR 3 11.287 -4.334 1.490 21 HE1 TYR 3 HE2 TYR 3 14.801 -7.597 2.784 22 HE2 TYR 3 HE1 TYR 3 13.050 -3.685 3.103 23 HH TYR 3 HOH TYR 3 14.951 -4.315 4.188 24 H ASN 4 HN ASN 4 10.165 -9.443 -0.797 25 HA ASN 4 HA ASN 4 8.637 -9.487 -3.212 26 1HB ASN 4 2HB ASN 4 9.666 -11.493 -2.215 27 2HB ASN 4 3HB ASN 4 8.793 -11.229 -0.696 28 1HD2 ASN 4 2HND ASN 4 6.138 -12.089 -3.674 29 2HD2 ASN 4 1HND ASN 4 6.935 -10.516 -3.578 30 H VAL 5 HN VAL 5 7.013 -7.990 -3.259 31 HA VAL 5 HA VAL 5 5.217 -7.783 -0.890 32 HB VAL 5 HB VAL 5 5.526 -5.804 -3.153 33 1HG1 VAL 5 1HG1 VAL 5 3.663 -6.153 -0.832 34 2HG1 VAL 5 2HG1 VAL 5 4.371 -4.553 -0.991 35 3HG1 VAL 5 3HG1 VAL 5 3.463 -5.268 -2.342 36 1HG2 VAL 5 2HG2 VAL 5 6.810 -5.981 -0.411 37 2HG2 VAL 5 3HG2 VAL 5 7.572 -5.718 -1.980 38 3HG2 VAL 5 1HG2 VAL 5 6.589 -4.438 -1.258 39 H LYS 6 HN LYS 6 3.477 -9.208 -1.117 40 HA LYS 6 HA LYS 6 2.230 -9.518 -3.758 41 1HB LYS 6 2HB LYS 6 2.394 -11.420 -2.307 42 2HB LYS 6 3HB LYS 6 1.466 -10.589 -1.081 43 1HG LYS 6 2HG LYS 6 -0.439 -10.308 -2.876 44 2HG LYS 6 3HG LYS 6 0.559 -11.286 -3.933 45 1HD LYS 6 2HD LYS 6 -0.593 -12.164 -1.237 46 2HD LYS 6 3HD LYS 6 -1.219 -12.513 -2.838 47 1HE LYS 6 2HE LYS 6 1.287 -13.336 -3.276 48 2HE LYS 6 3HE LYS 6 1.347 -13.478 -1.526 49 1HZ LYS 6 1HNZ LYS 6 -0.690 -14.668 -3.355 50 2HZ LYS 6 2HNZ LYS 6 0.614 -15.506 -2.789 51 3HZ LYS 6 3HNZ LYS 6 -0.583 -15.004 -1.755 52 H LEU 7 HN LEU 7 0.672 -8.317 -4.557 53 HA LEU 7 HA LEU 7 -1.014 -6.659 -2.763 54 1HB LEU 7 2HB LEU 7 -0.321 -6.393 -5.702 55 2HB LEU 7 3HB LEU 7 -1.382 -5.307 -4.841 56 HG LEU 7 HG LEU 7 1.614 -5.723 -4.561 57 1HD1 LEU 7 3HD1 LEU 7 0.811 -4.293 -6.433 58 2HD1 LEU 7 1HD1 LEU 7 -0.024 -3.271 -5.238 59 3HD1 LEU 7 2HD1 LEU 7 1.740 -3.357 -5.245 60 1HD2 LEU 7 1HD2 LEU 7 -0.216 -4.097 -2.762 61 2HD2 LEU 7 2HD2 LEU 7 0.931 -5.382 -2.312 62 3HD2 LEU 7 3HD2 LEU 7 1.532 -3.823 -2.876 63 H ILE 8 HN ILE 8 -2.825 -7.689 -2.237 64 HA ILE 8 HA ILE 8 -3.934 -9.713 -4.083 65 HB ILE 8 HB ILE 8 -4.645 -8.803 -1.310 66 1HG1 ILE 8 2HG1 ILE 8 -3.704 -11.533 -2.045 67 2HG1 ILE 8 3HG1 ILE 8 -2.531 -10.245 -1.758 68 1HG2 ILE 8 2HG2 ILE 8 -5.898 -10.952 -3.081 69 2HG2 ILE 8 3HG2 ILE 8 -6.233 -10.771 -1.351 70 3HG2 ILE 8 1HG2 ILE 8 -6.712 -9.499 -2.470 71 1HD1 ILE 8 HD2 ILE 8 -4.654 -11.094 0.245 72 2HD1 ILE 8 HD3 ILE 8 -2.944 -11.553 0.269 73 3HD1 ILE 8 HD1 ILE 8 -3.402 -9.848 0.465 74 H THR 9 HN THR 9 -4.295 -8.318 -5.843 75 HA THR 9 HA THR 9 -6.060 -6.054 -5.554 76 HB THR 9 HB THR 9 -5.910 -6.027 -7.981 77 HG1 THR 9 HG1 THR 9 -5.560 -8.394 -8.209 78 1HG2 THR 9 1HG2 THR 9 -3.202 -6.443 -6.604 79 2HG2 THR 9 2HG2 THR 9 -3.417 -5.719 -8.202 80 3HG2 THR 9 3HG2 THR 9 -4.074 -4.890 -6.782 81 HA PRO 10 HA PRO 10 -9.960 -8.146 -6.020 82 1HB PRO 10 2HB PRO 10 -10.544 -6.262 -8.282 83 2HB PRO 10 3HB PRO 10 -11.526 -6.672 -6.836 84 1HG PRO 10 2HG PRO 10 -10.207 -4.386 -6.918 85 2HG PRO 10 3HG PRO 10 -10.198 -5.353 -5.424 86 1HD PRO 10 2HD PRO 10 -8.076 -5.122 -7.430 87 2HD PRO 10 3HD PRO 10 -7.948 -5.189 -5.697 88 H ASP 11 HN ASP 11 -8.232 -7.418 -9.037 89 HA ASP 11 HA ASP 11 -9.177 -9.126 -10.963 90 1HB ASP 11 2HB ASP 11 -6.375 -8.211 -10.147 91 2HB ASP 11 3HB ASP 11 -6.667 -9.140 -11.597 92 H GLY 12 HN GLY 12 -7.152 -9.776 -8.186 93 1HA GLY 12 2HA GLY 12 -7.413 -11.754 -7.080 94 2HA GLY 12 3HA GLY 12 -7.327 -12.726 -8.575 95 H GLU 13 HN GLU 13 -5.495 -10.284 -6.777 96 HA GLU 13 HA GLU 13 -3.364 -10.056 -6.053 97 1HB GLU 13 2HB GLU 13 -3.059 -12.909 -6.915 98 2HB GLU 13 3HB GLU 13 -1.854 -11.998 -6.021 99 1HG GLU 13 2HG GLU 13 -3.186 -11.839 -4.104 100 2HG GLU 13 3HG GLU 13 -4.640 -12.455 -4.914 101 H VAL 14 HN VAL 14 -1.148 -9.859 -6.738 102 HA VAL 14 HA VAL 14 -0.637 -10.328 -9.621 103 HB VAL 14 HB VAL 14 -1.637 -8.166 -9.565 104 1HG1 VAL 14 3HG1 VAL 14 -1.184 -7.468 -7.317 105 2HG1 VAL 14 1HG1 VAL 14 0.508 -7.078 -7.759 106 3HG1 VAL 14 2HG1 VAL 14 -0.849 -6.228 -8.509 107 1HG2 VAL 14 2HG2 VAL 14 0.257 -8.634 -11.155 108 2HG2 VAL 14 3HG2 VAL 14 0.033 -6.920 -10.763 109 3HG2 VAL 14 1HG2 VAL 14 1.355 -7.835 -10.000 110 H GLU 15 HN GLU 15 0.805 -8.776 -6.807 111 HA GLU 15 HA GLU 15 2.687 -9.050 -5.695 112 1HB GLU 15 2HB GLU 15 2.019 -11.546 -5.851 113 2HB GLU 15 3HB GLU 15 3.226 -11.666 -7.139 114 1HG GLU 15 2HG GLU 15 5.001 -10.984 -5.607 115 2HG GLU 15 3HG GLU 15 3.844 -10.797 -4.287 116 H PHE 16 HN PHE 16 4.815 -8.485 -5.708 117 HA PHE 16 HA PHE 16 6.440 -8.599 -8.052 118 1HB PHE 16 2HB PHE 16 6.551 -6.484 -8.847 119 2HB PHE 16 3HB PHE 16 4.855 -6.843 -8.801 120 HD1 PHE 16 HD2 PHE 16 3.858 -6.257 -6.192 121 HD2 PHE 16 HD1 PHE 16 7.212 -4.363 -8.155 122 HE1 PHE 16 HE2 PHE 16 3.772 -4.450 -4.636 123 HE2 PHE 16 HE1 PHE 16 6.950 -2.440 -6.719 124 HZ PHE 16 HZ PHE 16 5.106 -2.330 -5.044 125 H LYS 17 HN LYS 17 8.357 -6.902 -7.738 126 HA LYS 17 HA LYS 17 9.314 -7.240 -4.963 127 1HB LYS 17 2HB LYS 17 10.546 -7.676 -7.589 128 2HB LYS 17 3HB LYS 17 11.456 -6.526 -6.632 129 1HG LYS 17 2HG LYS 17 12.330 -8.728 -6.154 130 2HG LYS 17 3HG LYS 17 11.525 -8.064 -4.729 131 1HD LYS 17 2HD LYS 17 10.768 -10.207 -4.723 132 2HD LYS 17 3HD LYS 17 9.426 -9.336 -5.512 133 1HE LYS 17 2HE LYS 17 10.153 -10.080 -7.721 134 2HE LYS 17 3HE LYS 17 11.578 -10.875 -7.028 135 1HZ LYS 17 3HNZ LYS 17 8.780 -11.630 -6.454 136 2HZ LYS 17 1HNZ LYS 17 9.796 -12.422 -7.471 137 3HZ LYS 17 2HNZ LYS 17 10.121 -12.373 -5.863 138 H CYS 18 HN CYS 18 9.554 -5.466 -3.747 139 HA CYS 18 HA CYS 18 9.384 -2.771 -5.110 140 1HB CYS 18 2HB CYS 18 7.279 -3.432 -4.040 141 2HB CYS 18 3HB CYS 18 8.150 -3.419 -2.503 142 HG CYS 18 HSG CYS 18 9.092 -0.939 -2.751 143 H ASP 19 HN ASP 19 11.043 -1.500 -4.764 144 HA ASP 19 HA ASP 19 13.174 -2.188 -2.969 145 1HB ASP 19 2HB ASP 19 12.644 0.420 -4.407 146 2HB ASP 19 3HB ASP 19 14.096 -0.029 -3.527 147 H ASP 20 HN ASP 20 13.684 -1.396 -1.151 148 HA ASP 20 HA ASP 20 11.711 -0.674 0.774 149 1HB ASP 20 2HB ASP 20 13.926 -0.581 2.255 150 2HB ASP 20 3HB ASP 20 13.229 -2.070 1.658 151 H ASP 21 HN ASP 21 13.678 1.135 -1.325 152 HA ASP 21 HA ASP 21 13.117 3.663 0.158 153 1HB ASP 21 2HB ASP 21 15.201 2.872 -1.919 154 2HB ASP 21 3HB ASP 21 14.854 4.541 -1.485 155 H VAL 22 HN VAL 22 11.266 1.884 -1.790 156 HA VAL 22 HA VAL 22 10.404 4.316 -3.247 157 HB VAL 22 HB VAL 22 11.773 2.558 -4.674 158 1HG1 VAL 22 2HG1 VAL 22 10.155 0.654 -4.003 159 2HG1 VAL 22 3HG1 VAL 22 8.971 1.457 -5.066 160 3HG1 VAL 22 1HG1 VAL 22 10.519 0.872 -5.707 161 1HG2 VAL 22 3HG2 VAL 22 10.674 4.590 -5.543 162 2HG2 VAL 22 1HG2 VAL 22 10.466 3.200 -6.635 163 3HG2 VAL 22 2HG2 VAL 22 9.122 3.716 -5.599 164 H TYR 23 HN TYR 23 8.254 4.433 -3.778 165 HA TYR 23 HA TYR 23 6.455 3.468 -1.797 166 1HB TYR 23 2HB TYR 23 6.297 4.968 -4.365 167 2HB TYR 23 3HB TYR 23 4.807 4.365 -3.659 168 HD1 TYR 23 HD1 TYR 23 7.522 5.626 -1.431 169 HD2 TYR 23 HD2 TYR 23 3.953 6.624 -3.639 170 HE1 TYR 23 HE1 TYR 23 7.495 7.854 -0.392 171 HE2 TYR 23 HE2 TYR 23 3.886 8.830 -2.538 172 HH TYR 23 HOH TYR 23 4.927 10.259 -1.077 173 H VAL 24 HN VAL 24 5.110 1.699 -1.811 174 HA VAL 24 HA VAL 24 5.487 -0.395 -3.708 175 HB VAL 24 HB VAL 24 3.031 -0.297 -1.970 176 1HG1 VAL 24 3HG1 VAL 24 5.009 -2.532 -2.679 177 2HG1 VAL 24 1HG1 VAL 24 3.541 -2.709 -1.710 178 3HG1 VAL 24 2HG1 VAL 24 3.402 -2.352 -3.408 179 1HG2 VAL 24 3HG2 VAL 24 5.881 -0.688 -1.089 180 2HG2 VAL 24 1HG2 VAL 24 4.645 0.386 -0.377 181 3HG2 VAL 24 2HG2 VAL 24 4.527 -1.358 -0.157 182 H LEU 25 HN LEU 25 4.035 2.371 -4.563 183 HA LEU 25 HA LEU 25 2.054 0.976 -6.321 184 1HB LEU 25 2HB LEU 25 1.822 3.911 -6.059 185 2HB LEU 25 3HB LEU 25 0.662 2.639 -6.308 186 HG LEU 25 HG LEU 25 1.167 1.977 -3.782 187 1HD1 LEU 25 3HD1 LEU 25 2.329 4.768 -3.996 188 2HD1 LEU 25 1HD1 LEU 25 1.538 4.256 -2.508 189 3HD1 LEU 25 2HD1 LEU 25 2.923 3.359 -3.083 190 1HD2 LEU 25 1HD2 LEU 25 -0.948 2.939 -4.848 191 2HD2 LEU 25 2HD2 LEU 25 -0.725 3.086 -3.143 192 3HD2 LEU 25 3HD2 LEU 25 -0.434 4.497 -4.168 193 H ASP 26 HN ASP 26 4.338 3.766 -6.149 194 HA ASP 26 HA ASP 26 4.739 4.319 -8.746 195 1HB ASP 26 2HB ASP 26 6.688 4.103 -6.418 196 2HB ASP 26 3HB ASP 26 7.131 4.866 -7.925 197 H GLN 27 HN GLN 27 6.833 1.899 -7.016 198 HA GLN 27 HA GLN 27 7.978 1.038 -9.462 199 1HB GLN 27 2HB GLN 27 9.090 0.901 -7.385 200 2HB GLN 27 3HB GLN 27 7.960 -0.301 -6.726 201 1HG GLN 27 2HG GLN 27 8.763 -1.980 -8.205 202 2HG GLN 27 3HG GLN 27 9.407 -0.777 -9.329 203 1HE2 GLN 27 2HNE GLN 27 12.008 -2.275 -6.630 204 2HE2 GLN 27 1HNE GLN 27 10.459 -3.048 -7.040 205 H ALA 28 HN ALA 28 4.961 0.164 -7.886 206 HA ALA 28 HA ALA 28 4.553 -2.370 -9.187 207 1HB ALA 28 3HB ALA 28 3.248 -1.107 -7.228 208 2HB ALA 28 1HB ALA 28 2.220 -0.607 -8.596 209 3HB ALA 28 2HB ALA 28 2.491 -2.324 -8.238 210 H GLU 29 HN GLU 29 3.544 1.018 -9.904 211 HA GLU 29 HA GLU 29 2.365 0.557 -12.403 212 1HB GLU 29 2HB GLU 29 3.721 3.041 -11.274 213 2HB GLU 29 3HB GLU 29 2.856 3.000 -12.812 214 1HG GLU 29 2HG GLU 29 0.796 2.237 -11.651 215 2HG GLU 29 3HG GLU 29 1.631 2.358 -10.099 216 H GLU 30 HN GLU 30 5.793 1.311 -11.534 217 HA GLU 30 HA GLU 30 6.874 1.235 -14.132 218 1HB GLU 30 2HB GLU 30 8.147 0.231 -11.590 219 2HB GLU 30 3HB GLU 30 8.982 0.463 -13.115 220 1HG GLU 30 2HG GLU 30 7.493 2.781 -11.819 221 2HG GLU 30 3HG GLU 30 9.156 2.365 -11.393 222 H GLU 31 HN GLU 31 5.869 -1.569 -12.178 223 HA GLU 31 HA GLU 31 6.883 -3.398 -14.228 224 1HB GLU 31 2HB GLU 31 4.902 -4.106 -12.062 225 2HB GLU 31 3HB GLU 31 6.056 -5.127 -12.920 226 1HG GLU 31 2HG GLU 31 7.584 -3.031 -11.712 227 2HG GLU 31 3HG GLU 31 6.358 -3.445 -10.529 228 H GLY 32 HN GLY 32 3.985 -1.607 -13.607 229 1HA GLY 32 2HA GLY 32 2.528 -1.149 -15.498 230 2HA GLY 32 3HA GLY 32 2.558 -2.864 -15.931 231 H ILE 33 HN ILE 33 2.483 -2.321 -12.500 232 HA ILE 33 HA ILE 33 -0.186 -3.498 -12.440 233 HB ILE 33 HB ILE 33 1.509 -2.585 -10.130 234 1HG1 ILE 33 2HG1 ILE 33 1.317 -5.245 -11.541 235 2HG1 ILE 33 3HG1 ILE 33 2.731 -4.194 -11.579 236 1HG2 ILE 33 3HG2 ILE 33 -1.014 -3.098 -9.789 237 2HG2 ILE 33 1HG2 ILE 33 -0.646 -4.741 -10.268 238 3HG2 ILE 33 2HG2 ILE 33 0.095 -4.044 -8.804 239 1HD1 ILE 33 HD1 ILE 33 1.739 -5.552 -9.052 240 2HD1 ILE 33 HD2 ILE 33 3.140 -6.000 -10.034 241 3HD1 ILE 33 HD3 ILE 33 3.120 -4.444 -9.186 242 H ASP 34 HN ASP 34 -2.006 -2.454 -12.234 243 HA ASP 34 HA ASP 34 -2.141 0.470 -11.617 244 1HB ASP 34 2HB ASP 34 -3.357 -0.371 -13.617 245 2HB ASP 34 3HB ASP 34 -4.242 -1.520 -12.597 246 H ILE 35 HN ILE 35 -2.223 0.971 -9.491 247 HA ILE 35 HA ILE 35 -4.320 -0.327 -7.944 248 HB ILE 35 HB ILE 35 -3.040 -0.757 -6.038 249 1HG1 ILE 35 2HG1 ILE 35 -0.682 0.689 -7.305 250 2HG1 ILE 35 3HG1 ILE 35 -1.676 1.222 -5.936 251 1HG2 ILE 35 2HG2 ILE 35 -2.729 -2.443 -7.877 252 2HG2 ILE 35 3HG2 ILE 35 -1.147 -1.660 -8.188 253 3HG2 ILE 35 1HG2 ILE 35 -1.491 -2.450 -6.645 254 1HD1 ILE 35 HD3 ILE 35 -0.947 -0.886 -4.700 255 2HD1 ILE 35 HD1 ILE 35 0.278 -1.084 -5.986 256 3HD1 ILE 35 HD2 ILE 35 0.286 0.346 -4.958 257 HA PRO 36 HA PRO 36 -5.355 3.780 -7.274 258 1HB PRO 36 2HB PRO 36 -5.938 3.922 -4.486 259 2HB PRO 36 3HB PRO 36 -7.035 3.533 -5.838 260 1HG PRO 36 2HG PRO 36 -5.650 1.683 -3.955 261 2HG PRO 36 3HG PRO 36 -7.217 1.502 -4.803 262 1HD PRO 36 2HD PRO 36 -4.920 0.224 -5.529 263 2HD PRO 36 3HD PRO 36 -6.189 0.652 -6.717 264 H TYR 37 HN TYR 37 -3.720 5.155 -7.604 265 HA TYR 37 HA TYR 37 -2.043 6.125 -5.344 266 1HB TYR 37 2HB TYR 37 -0.765 4.381 -6.523 267 2HB TYR 37 3HB TYR 37 -1.131 5.111 -8.064 268 HD1 TYR 37 HD1 TYR 37 0.236 6.549 -4.812 269 HD2 TYR 37 HD2 TYR 37 0.694 6.107 -9.074 270 HE1 TYR 37 HE1 TYR 37 2.245 7.984 -4.754 271 HE2 TYR 37 HE2 TYR 37 2.772 7.432 -8.989 272 HH TYR 37 HOH TYR 37 4.573 8.025 -7.037 273 H SER 38 HN SER 38 -3.828 6.843 -8.286 274 HA SER 38 HA SER 38 -2.187 8.939 -9.266 275 1HB SER 38 2HB SER 38 -4.242 9.255 -10.735 276 2HB SER 38 3HB SER 38 -3.543 7.621 -10.726 277 HG SER 38 HOG SER 38 -5.702 8.499 -9.107 278 H CYS 39 HN CYS 39 -2.003 10.028 -7.170 279 HA CYS 39 HA CYS 39 -3.916 12.258 -6.672 280 1HB CYS 39 2HB CYS 39 -3.514 9.751 -5.167 281 2HB CYS 39 3HB CYS 39 -3.136 11.206 -4.230 282 H ARG 40 HN ARG 40 -1.352 10.681 -4.854 283 HA ARG 40 HA ARG 40 0.604 11.222 -3.972 284 1HB ARG 40 2HB ARG 40 1.366 11.260 -6.242 285 2HB ARG 40 3HB ARG 40 0.912 12.964 -6.432 286 1HG ARG 40 2HG ARG 40 2.580 13.676 -4.839 287 2HG ARG 40 3HG ARG 40 2.932 12.011 -4.355 288 1HD ARG 40 2HD ARG 40 4.190 11.556 -6.194 289 2HD ARG 40 3HD ARG 40 3.201 12.495 -7.293 290 HE ARG 40 HNE ARG 40 5.586 13.358 -5.917 291 1HH1 ARG 40 2HN2 ARG 40 2.462 14.528 -7.013 292 2HH1 ARG 40 1HN2 ARG 40 2.997 16.111 -7.484 293 1HH2 ARG 40 2HN1 ARG 40 6.367 15.486 -6.456 294 2HH2 ARG 40 1HN1 ARG 40 5.289 16.678 -7.106 295 H ALA 41 HN ALA 41 -0.199 12.131 -2.088 296 HA ALA 41 HA ALA 41 1.410 13.780 -1.010 297 1HB ALA 41 3HB ALA 41 -0.616 15.756 -2.099 298 2HB ALA 41 1HB ALA 41 0.571 16.115 -0.831 299 3HB ALA 41 2HB ALA 41 1.141 15.695 -2.431 300 H GLY 42 HN GLY 42 0.244 11.915 0.164 301 1HA GLY 42 2HA GLY 42 -1.075 11.080 1.781 302 2HA GLY 42 3HA GLY 42 -0.148 12.236 2.697 303 H SER 43 HN SER 43 -1.553 14.606 2.265 304 HA SER 43 HA SER 43 -4.213 14.127 3.541 305 1HB SER 43 2HB SER 43 -2.763 15.694 4.710 306 2HB SER 43 3HB SER 43 -2.502 16.621 3.214 307 HG SER 43 HOG SER 43 -4.744 17.028 3.182 308 H CYS 44 HN CYS 44 -4.522 13.184 1.173 309 HA CYS 44 HA CYS 44 -5.243 15.351 -0.765 310 1HB CYS 44 2HB CYS 44 -4.975 13.393 -2.406 311 2HB CYS 44 3HB CYS 44 -3.576 14.229 -1.748 312 H SER 45 HN SER 45 -6.335 11.936 -0.249 313 HA SER 45 HA SER 45 -9.144 12.895 -0.217 314 1HB SER 45 2HB SER 45 -8.003 11.224 -2.488 315 2HB SER 45 3HB SER 45 -9.739 11.327 -2.120 316 HG SER 45 HOG SER 45 -8.379 13.742 -2.265 317 H SER 46 HN SER 46 -8.661 9.567 -1.127 318 HA SER 46 HA SER 46 -8.172 8.605 1.512 319 1HB SER 46 2HB SER 46 -10.634 9.040 1.698 320 2HB SER 46 3HB SER 46 -10.904 8.064 0.241 321 HG SER 46 HOG SER 46 -11.160 6.608 1.777 322 H CYS 47 HN CYS 47 -6.910 6.798 1.097 323 HA CYS 47 HA CYS 47 -7.750 4.804 -0.705 324 1HB CYS 47 2HB CYS 47 -6.039 4.668 -2.204 325 2HB CYS 47 3HB CYS 47 -6.571 6.333 -2.342 326 H ALA 48 HN ALA 48 -6.511 2.798 -0.293 327 HA ALA 48 HA ALA 48 -4.419 2.577 1.648 328 1HB ALA 48 3HB ALA 48 -7.242 2.274 2.711 329 2HB ALA 48 1HB ALA 48 -5.786 1.655 3.522 330 3HB ALA 48 2HB ALA 48 -5.966 3.387 3.270 331 H GLY 49 HN GLY 49 -4.296 0.290 2.482 332 1HA GLY 49 2HA GLY 49 -5.782 -1.717 0.932 333 2HA GLY 49 3HA GLY 49 -4.017 -1.755 0.973 334 H LYS 50 HN LYS 50 -5.724 -3.860 2.052 335 HA LYS 50 HA LYS 50 -5.725 -3.617 4.978 336 1HB LYS 50 2HB LYS 50 -7.485 -4.761 3.419 337 2HB LYS 50 3HB LYS 50 -6.331 -6.066 3.261 338 1HG LYS 50 2HG LYS 50 -6.959 -7.007 5.148 339 2HG LYS 50 3HG LYS 50 -6.489 -5.570 6.053 340 1HD LYS 50 2HD LYS 50 -8.804 -4.649 5.059 341 2HD LYS 50 3HD LYS 50 -9.167 -6.379 4.953 342 1HE LYS 50 2HE LYS 50 -8.523 -6.573 7.412 343 2HE LYS 50 3HE LYS 50 -8.283 -4.823 7.458 344 1HZ LYS 50 3HNZ LYS 50 -10.588 -4.520 6.892 345 2HZ LYS 50 1HNZ LYS 50 -10.853 -6.143 6.869 346 3HZ LYS 50 2HNZ LYS 50 -10.440 -5.388 8.279 347 H VAL 51 HN VAL 51 -4.004 -4.455 6.254 348 HA VAL 51 HA VAL 51 -1.717 -5.686 4.940 349 HB VAL 51 HB VAL 51 -2.299 -5.323 7.948 350 1HG1 VAL 51 2HG1 VAL 51 -0.367 -6.852 7.437 351 2HG1 VAL 51 3HG1 VAL 51 0.370 -5.544 6.470 352 3HG1 VAL 51 1HG1 VAL 51 0.129 -5.335 8.212 353 1HG2 VAL 51 3HG2 VAL 51 -0.990 -3.575 5.906 354 2HG2 VAL 51 1HG2 VAL 51 -2.390 -3.112 6.903 355 3HG2 VAL 51 2HG2 VAL 51 -0.795 -3.223 7.645 356 H VAL 52 HN VAL 52 -1.418 -7.849 4.664 357 HA VAL 52 HA VAL 52 -3.173 -9.742 6.193 358 HB VAL 52 HB VAL 52 -1.764 -9.972 3.545 359 1HG1 VAL 52 3HG1 VAL 52 -3.515 -11.996 5.005 360 2HG1 VAL 52 1HG1 VAL 52 -2.962 -12.151 3.324 361 3HG1 VAL 52 2HG1 VAL 52 -1.784 -12.180 4.640 362 1HG2 VAL 52 3HG2 VAL 52 -4.706 -9.743 4.290 363 2HG2 VAL 52 1HG2 VAL 52 -3.741 -8.575 3.364 364 3HG2 VAL 52 2HG2 VAL 52 -4.119 -10.158 2.673 365 H SER 53 HN SER 53 0.247 -9.124 5.119 366 HA SER 53 HA SER 53 1.166 -10.187 7.633 367 1HB SER 53 2HB SER 53 0.818 -12.339 6.363 368 2HB SER 53 3HB SER 53 1.978 -11.756 5.147 369 HG SER 53 HOG SER 53 2.990 -13.047 6.752 370 H GLY 54 HN GLY 54 3.666 -10.303 7.508 371 1HA GLY 54 2HA GLY 54 5.631 -9.061 7.344 372 2HA GLY 54 3HA GLY 54 5.072 -8.466 5.798 373 H SER 55 HN SER 55 6.079 -6.353 6.488 374 HA SER 55 HA SER 55 3.991 -4.640 7.496 375 1HB SER 55 2HB SER 55 6.683 -4.701 8.921 376 2HB SER 55 3HB SER 55 5.338 -3.609 9.237 377 HG SER 55 HOG SER 55 4.292 -5.982 9.468 378 H ILE 56 HN ILE 56 4.587 -2.398 7.147 379 HA ILE 56 HA ILE 56 6.928 -1.829 5.441 380 HB ILE 56 HB ILE 56 5.497 -0.340 4.108 381 1HG1 ILE 56 2HG1 ILE 56 3.022 -1.684 5.175 382 2HG1 ILE 56 3HG1 ILE 56 3.632 -0.267 5.985 383 1HG2 ILE 56 1HG2 ILE 56 5.714 -3.069 3.713 384 2HG2 ILE 56 2HG2 ILE 56 3.977 -2.786 3.556 385 3HG2 ILE 56 3HG2 ILE 56 5.096 -1.881 2.542 386 1HD1 ILE 56 HD1 ILE 56 3.739 1.009 3.867 387 2HD1 ILE 56 HD2 ILE 56 2.948 -0.361 3.039 388 3HD1 ILE 56 HD3 ILE 56 2.113 0.544 4.319 389 H ASP 57 HN ASP 57 6.947 0.740 5.341 390 HA ASP 57 HA ASP 57 6.028 1.927 7.927 391 1HB ASP 57 2HB ASP 57 8.500 1.898 7.762 392 2HB ASP 57 3HB ASP 57 8.405 2.728 6.192 393 H GLN 58 HN GLN 58 4.214 3.059 7.469 394 HA GLN 58 HA GLN 58 4.104 4.711 4.973 395 1HB GLN 58 2HB GLN 58 1.670 4.883 5.569 396 2HB GLN 58 3HB GLN 58 2.231 3.298 5.020 397 1HG GLN 58 2HG GLN 58 2.204 2.401 7.207 398 2HG GLN 58 3HG GLN 58 2.113 3.973 7.983 399 1HE2 GLN 58 2HNE GLN 58 -1.155 2.108 7.935 400 2HE2 GLN 58 1HNE GLN 58 0.486 1.718 8.373 401 H SER 59 HN SER 59 5.845 5.534 7.181 402 HA SER 59 HA SER 59 4.266 7.177 8.970 403 1HB SER 59 2HB SER 59 6.280 5.850 9.642 404 2HB SER 59 3HB SER 59 7.284 6.941 8.675 405 HG SER 59 HOG SER 59 6.446 8.663 9.948 406 H ASP 60 HN ASP 60 3.956 8.110 6.255 407 HA ASP 60 HA ASP 60 4.411 10.918 6.712 408 1HB ASP 60 2HB ASP 60 6.684 10.297 5.873 409 2HB ASP 60 3HB ASP 60 5.929 9.642 4.420 410 H GLN 61 HN GLN 61 2.177 9.323 6.458 411 HA GLN 61 HA GLN 61 0.993 9.943 3.849 412 1HB GLN 61 2HB GLN 61 -0.373 8.133 4.149 413 2HB GLN 61 3HB GLN 61 1.124 7.541 4.835 414 1HG GLN 61 2HG GLN 61 -1.358 8.509 6.324 415 2HG GLN 61 3HG GLN 61 -0.872 6.846 6.035 416 1HE2 GLN 61 2HNE GLN 61 0.442 6.817 9.280 417 2HE2 GLN 61 1HNE GLN 61 -0.755 6.179 8.162 418 H SER 62 HN SER 62 0.718 10.480 7.332 419 HA SER 62 HA SER 62 -0.508 11.975 8.537 420 1HB SER 62 2HB SER 62 0.919 13.405 6.856 421 2HB SER 62 3HB SER 62 -0.628 13.741 6.068 422 HG SER 62 HOG SER 62 0.075 14.237 8.791 423 H PHE 63 HN PHE 63 -2.040 9.947 7.728 424 HA PHE 63 HA PHE 63 -4.677 11.086 7.300 425 1HB PHE 63 2HB PHE 63 -4.116 11.048 5.002 426 2HB PHE 63 3HB PHE 63 -3.322 9.487 5.128 427 HD1 PHE 63 HD2 PHE 63 -6.766 10.390 6.485 428 HD2 PHE 63 HD1 PHE 63 -4.473 8.223 3.504 429 HE1 PHE 63 HE2 PHE 63 -8.773 9.165 5.818 430 HE2 PHE 63 HE1 PHE 63 -6.455 6.851 3.037 431 HZ PHE 63 HZ PHE 63 -8.641 7.404 4.071 432 H LEU 64 HN LEU 64 -3.269 7.689 6.818 433 HA LEU 64 HA LEU 64 -5.558 6.657 7.868 434 1HB LEU 64 2HB LEU 64 -2.795 5.341 7.915 435 2HB LEU 64 3HB LEU 64 -4.257 4.600 8.509 436 HG LEU 64 HG LEU 64 -5.345 5.014 6.235 437 1HD1 LEU 64 2HD1 LEU 64 -3.610 6.490 5.226 438 2HD1 LEU 64 3HD1 LEU 64 -2.425 5.174 5.365 439 3HD1 LEU 64 1HD1 LEU 64 -3.830 5.001 4.303 440 1HD2 LEU 64 3HD2 LEU 64 -3.079 3.018 6.626 441 2HD2 LEU 64 1HD2 LEU 64 -4.765 2.849 7.168 442 3HD2 LEU 64 2HD2 LEU 64 -4.391 2.867 5.434 443 H ASP 65 HN ASP 65 -6.377 6.112 9.809 444 HA ASP 65 HA ASP 65 -5.168 7.457 12.093 445 1HB ASP 65 2HB ASP 65 -7.668 5.735 11.999 446 2HB ASP 65 3HB ASP 65 -7.220 6.876 13.276 447 H ASP 66 HN ASP 66 -5.066 6.388 14.242 448 HA ASP 66 HA ASP 66 -3.277 4.194 14.349 449 1HB ASP 66 2HB ASP 66 -5.265 5.258 16.418 450 2HB ASP 66 3HB ASP 66 -3.995 4.074 16.746 451 H GLU 67 HN GLU 67 -6.806 4.459 14.609 452 HA GLU 67 HA GLU 67 -7.485 1.835 15.179 453 1HB GLU 67 2HB GLU 67 -9.240 3.333 13.217 454 2HB GLU 67 3HB GLU 67 -9.635 2.438 14.679 455 1HG GLU 67 2HG GLU 67 -8.482 4.411 15.916 456 2HG GLU 67 3HG GLU 67 -8.649 5.260 14.360 457 H GLN 68 HN GLN 68 -7.440 3.346 11.903 458 HA GLN 68 HA GLN 68 -7.851 1.042 10.421 459 1HB GLN 68 2HB GLN 68 -6.254 3.511 9.726 460 2HB GLN 68 3HB GLN 68 -6.826 2.323 8.552 461 1HG GLN 68 2HG GLN 68 -9.106 2.691 9.000 462 2HG GLN 68 3HG GLN 68 -8.770 3.723 10.382 463 1HE2 GLN 68 2HNE GLN 68 -9.536 5.897 7.521 464 2HE2 GLN 68 1HNE GLN 68 -10.407 4.666 8.399 465 H MET 69 HN MET 69 -4.626 2.485 11.370 466 HA MET 69 HA MET 69 -3.066 0.472 10.170 467 1HB MET 69 2HB MET 69 -2.494 2.091 12.674 468 2HB MET 69 3HB MET 69 -1.347 1.086 11.785 469 1HG MET 69 2HG MET 69 -1.929 2.539 9.719 470 2HG MET 69 3HG MET 69 -2.788 3.541 10.821 471 1HE MET 69 HE2 MET 69 -1.501 5.618 10.212 472 2HE MET 69 HE3 MET 69 -1.795 5.503 11.964 473 3HE MET 69 HE1 MET 69 -0.229 6.102 11.368 474 H ASP 70 HN ASP 70 -4.201 0.557 13.582 475 HA ASP 70 HA ASP 70 -3.142 -1.933 14.404 476 1HB ASP 70 2HB ASP 70 -4.075 -0.176 15.920 477 2HB ASP 70 3HB ASP 70 -5.691 -0.510 15.301 478 H ALA 71 HN ALA 71 -6.182 -1.039 12.936 479 HA ALA 71 HA ALA 71 -7.563 -3.534 13.040 480 1HB ALA 71 3HB ALA 71 -7.823 -1.131 11.200 481 2HB ALA 71 1HB ALA 71 -9.022 -2.441 11.311 482 3HB ALA 71 2HB ALA 71 -8.702 -1.394 12.713 483 H GLY 72 HN GLY 72 -5.008 -2.372 10.914 484 1HA GLY 72 2HA GLY 72 -3.669 -3.929 9.796 485 2HA GLY 72 3HA GLY 72 -5.065 -4.963 9.471 486 H TYR 73 HN TYR 73 -4.608 -1.368 9.100 487 HA TYR 73 HA TYR 73 -4.742 -1.787 6.162 488 1HB TYR 73 2HB TYR 73 -5.943 0.452 7.780 489 2HB TYR 73 3HB TYR 73 -5.752 0.473 6.031 490 HD1 TYR 73 HD2 TYR 73 -6.909 -1.151 4.567 491 HD2 TYR 73 HD1 TYR 73 -7.686 -0.983 8.800 492 HE1 TYR 73 HE2 TYR 73 -9.029 -2.354 4.225 493 HE2 TYR 73 HE1 TYR 73 -9.815 -2.165 8.457 494 HH TYR 73 HOH TYR 73 -11.008 -3.100 5.195 495 H VAL 74 HN VAL 74 -3.462 -0.483 4.825 496 HA VAL 74 HA VAL 74 -1.400 1.242 5.808 497 HB VAL 74 HB VAL 74 -1.095 -1.442 6.300 498 1HG1 VAL 74 2HG1 VAL 74 -0.808 -2.104 4.020 499 2HG1 VAL 74 3HG1 VAL 74 0.695 -1.168 3.886 500 3HG1 VAL 74 1HG1 VAL 74 0.614 -2.488 5.008 501 1HG2 VAL 74 3HG2 VAL 74 1.020 0.628 6.226 502 2HG2 VAL 74 1HG2 VAL 74 0.146 -0.121 7.594 503 3HG2 VAL 74 2HG2 VAL 74 1.344 -1.052 6.719 504 H LEU 75 HN LEU 75 0.359 1.154 3.951 505 HA LEU 75 HA LEU 75 1.013 1.105 1.807 506 1HB LEU 75 2HB LEU 75 -0.604 -1.032 1.712 507 2HB LEU 75 3HB LEU 75 -1.579 0.042 0.728 508 HG LEU 75 HG LEU 75 0.677 0.440 -0.617 509 1HD1 LEU 75 2HD1 LEU 75 1.309 -1.994 1.089 510 2HD1 LEU 75 3HD1 LEU 75 2.016 -1.761 -0.505 511 3HD1 LEU 75 1HD1 LEU 75 2.305 -0.563 0.766 512 1HD2 LEU 75 3HD2 LEU 75 -1.339 -0.769 -1.446 513 2HD2 LEU 75 1HD2 LEU 75 0.209 -1.312 -2.111 514 3HD2 LEU 75 2HD2 LEU 75 -0.593 -2.282 -0.870 515 H THR 76 HN THR 76 0.452 2.266 -0.262 516 HA THR 76 HA THR 76 -0.254 4.031 -1.376 517 HB THR 76 HB THR 76 -2.505 4.302 -1.719 518 HG1 THR 76 HG1 THR 76 -3.452 4.903 0.167 519 1HG2 THR 76 3HG2 THR 76 -1.889 1.792 -1.876 520 2HG2 THR 76 1HG2 THR 76 -2.753 1.633 -0.334 521 3HG2 THR 76 2HG2 THR 76 -3.600 2.242 -1.754 522 H CYS 77 HN CYS 77 -1.302 6.364 -1.169 523 HA CYS 77 HA CYS 77 -0.731 8.431 -0.404 524 1HB CYS 77 2HB CYS 77 -2.247 6.892 1.571 525 2HB CYS 77 3HB CYS 77 -1.372 8.221 2.287 526 H HIS 78 HN HIS 78 1.542 6.456 -0.231 527 HA HIS 78 HA HIS 78 3.832 6.936 0.114 528 1HB HIS 78 2HB HIS 78 3.496 9.063 1.367 529 2HB HIS 78 3HB HIS 78 3.123 8.112 2.819 530 HD1 HIS 78 HND HIS 78 5.984 9.677 1.130 531 HD2 HIS 78 HD HIS 78 5.256 6.394 3.664 532 HE1 HIS 78 HE HIS 78 8.208 9.086 2.227 533 H ALA 79 HN ALA 79 4.740 4.956 0.394 534 HA ALA 79 HA ALA 79 4.403 3.461 2.885 535 1HB ALA 79 2HB ALA 79 3.095 2.575 0.283 536 2HB ALA 79 3HB ALA 79 3.407 1.505 1.660 537 3HB ALA 79 1HB ALA 79 2.317 2.906 1.851 538 H TYR 80 HN TYR 80 6.446 2.798 3.206 539 HA TYR 80 HA TYR 80 8.147 1.889 0.918 540 1HB TYR 80 2HB TYR 80 8.789 2.874 3.714 541 2HB TYR 80 3HB TYR 80 9.984 2.138 2.658 542 HD1 TYR 80 HD2 TYR 80 9.710 3.236 0.054 543 HD2 TYR 80 HD1 TYR 80 9.317 5.164 3.884 544 HE1 TYR 80 HE2 TYR 80 10.163 5.438 -1.005 545 HE2 TYR 80 HE1 TYR 80 9.985 7.305 2.867 546 HH TYR 80 HOH TYR 80 10.431 8.431 0.912 547 HA PRO 81 HA PRO 81 7.466 -2.151 2.756 548 1HB PRO 81 2HB PRO 81 8.993 -3.595 0.888 549 2HB PRO 81 3HB PRO 81 7.262 -3.192 0.765 550 1HG PRO 81 2HG PRO 81 9.504 -2.051 -0.788 551 2HG PRO 81 3HG PRO 81 7.751 -1.908 -1.017 552 1HD PRO 81 2HD PRO 81 9.447 0.108 0.048 553 2HD PRO 81 3HD PRO 81 7.698 0.121 -0.203 554 H THR 82 HN THR 82 8.557 -2.779 4.624 555 HA THR 82 HA THR 82 11.483 -2.275 4.708 556 HB THR 82 HB THR 82 11.032 -2.563 7.170 557 HG1 THR 82 HG1 THR 82 8.905 -3.621 6.789 558 1HG2 THR 82 3HG2 THR 82 11.253 -0.360 6.039 559 2HG2 THR 82 1HG2 THR 82 9.514 -0.365 5.689 560 3HG2 THR 82 2HG2 THR 82 10.076 -0.302 7.370 561 H SER 83 HN SER 83 9.360 -4.912 4.214 562 HA SER 83 HA SER 83 11.529 -6.756 4.168 563 1HB SER 83 2HB SER 83 9.234 -7.303 6.125 564 2HB SER 83 3HB SER 83 10.561 -8.413 5.749 565 HG SER 83 HOG SER 83 11.721 -6.189 6.499 566 H ASP 84 HN ASP 84 10.094 -9.100 3.792 567 HA ASP 84 HA ASP 84 8.479 -8.681 1.457 568 1HB ASP 84 2HB ASP 84 7.890 -11.077 1.886 569 2HB ASP 84 3HB ASP 84 9.634 -10.794 1.786 570 H VAL 85 HN VAL 85 6.279 -8.703 1.350 571 HA VAL 85 HA VAL 85 4.636 -8.622 3.774 572 HB VAL 85 HB VAL 85 5.537 -6.424 3.963 573 1HG1 VAL 85 3HG1 VAL 85 4.920 -6.077 1.027 574 2HG1 VAL 85 1HG1 VAL 85 5.381 -4.744 2.097 575 3HG1 VAL 85 2HG1 VAL 85 6.516 -6.063 1.813 576 1HG2 VAL 85 2HG2 VAL 85 3.089 -6.466 4.330 577 2HG2 VAL 85 3HG2 VAL 85 3.666 -4.929 3.745 578 3HG2 VAL 85 1HG2 VAL 85 2.831 -6.015 2.626 579 H VAL 86 HN VAL 86 2.373 -8.461 3.496 580 HA VAL 86 HA VAL 86 1.442 -9.133 0.757 581 HB VAL 86 HB VAL 86 0.726 -10.725 3.256 582 1HG1 VAL 86 3HG1 VAL 86 -0.123 -10.758 0.362 583 2HG1 VAL 86 1HG1 VAL 86 -0.128 -12.281 1.280 584 3HG1 VAL 86 2HG1 VAL 86 -1.112 -10.911 1.787 585 1HG2 VAL 86 1HG2 VAL 86 2.587 -11.457 0.937 586 2HG2 VAL 86 2HG2 VAL 86 3.051 -11.277 2.642 587 3HG2 VAL 86 3HG2 VAL 86 1.994 -12.601 2.158 588 H ILE 87 HN ILE 87 -0.328 -7.899 0.343 589 HA ILE 87 HA ILE 87 -1.979 -6.863 2.514 590 HB ILE 87 HB ILE 87 -0.032 -5.473 2.582 591 1HG1 ILE 87 2HG1 ILE 87 -1.930 -4.140 2.948 592 2HG1 ILE 87 3HG1 ILE 87 -0.577 -3.311 2.188 593 1HG2 ILE 87 3HG2 ILE 87 -0.239 -5.295 -0.423 594 2HG2 ILE 87 1HG2 ILE 87 0.706 -4.148 0.523 595 3HG2 ILE 87 2HG2 ILE 87 1.130 -5.866 0.548 596 1HD1 ILE 87 HD3 ILE 87 -1.941 -4.061 -0.044 597 2HD1 ILE 87 HD1 ILE 87 -3.238 -3.860 1.148 598 3HD1 ILE 87 HD2 ILE 87 -2.108 -2.521 0.801 599 H GLU 88 HN GLU 88 -4.026 -6.163 1.736 600 HA GLU 88 HA GLU 88 -4.660 -6.808 -1.115 601 1HB GLU 88 2HB GLU 88 -6.504 -5.993 1.056 602 2HB GLU 88 3HB GLU 88 -6.954 -6.729 -0.489 603 1HG GLU 88 2HG GLU 88 -6.197 -8.875 0.327 604 2HG GLU 88 3HG GLU 88 -5.529 -8.133 1.795 605 H THR 89 HN THR 89 -4.696 -5.190 -2.562 606 HA THR 89 HA THR 89 -4.666 -2.389 -1.682 607 HB THR 89 HB THR 89 -4.513 -2.069 -4.214 608 HG1 THR 89 HG1 THR 89 -5.563 -4.282 -4.497 609 1HG2 THR 89 3HG2 THR 89 -2.525 -3.959 -2.912 610 2HG2 THR 89 1HG2 THR 89 -2.264 -3.014 -4.393 611 3HG2 THR 89 2HG2 THR 89 -2.507 -2.182 -2.848 612 H HIS 90 HN HIS 90 -6.142 -0.850 -2.992 613 HA HIS 90 HA HIS 90 -8.158 -0.022 -3.577 614 1HB HIS 90 2HB HIS 90 -9.051 -2.880 -4.121 615 2HB HIS 90 3HB HIS 90 -9.886 -1.406 -4.578 616 HD1 HIS 90 HND HIS 90 -6.118 -1.869 -5.276 617 HD2 HIS 90 HD HIS 90 -9.880 -2.009 -7.129 618 HE1 HIS 90 HE HIS 90 -5.695 -2.430 -7.721 619 H LYS 91 HN LYS 91 -7.753 0.046 -0.951 620 HA LYS 91 HA LYS 91 -10.373 -0.806 0.235 621 1HB LYS 91 2HB LYS 91 -7.686 -0.536 1.622 622 2HB LYS 91 3HB LYS 91 -9.176 -1.169 2.295 623 1HG LYS 91 2HG LYS 91 -7.721 -2.466 -0.079 624 2HG LYS 91 3HG LYS 91 -7.591 -2.969 1.609 625 1HD LYS 91 2HD LYS 91 -9.747 -3.418 1.864 626 2HD LYS 91 3HD LYS 91 -10.268 -2.849 0.274 627 1HE LYS 91 2HE LYS 91 -9.521 -4.687 -0.866 628 2HE LYS 91 3HE LYS 91 -8.232 -4.974 0.296 629 1HZ LYS 91 2HNZ LYS 91 -11.089 -5.412 0.938 630 2HZ LYS 91 3HNZ LYS 91 -9.901 -6.648 0.643 631 3HZ LYS 91 1HNZ LYS 91 -9.825 -5.681 1.910 632 H GLU 92 HN GLU 92 -9.933 1.601 -1.177 633 HA GLU 92 HA GLU 92 -9.699 3.831 0.569 634 1HB GLU 92 2HB GLU 92 -9.631 3.979 -1.868 635 2HB GLU 92 3HB GLU 92 -11.290 3.403 -2.032 636 1HG GLU 92 2HG GLU 92 -10.643 5.821 -0.348 637 2HG GLU 92 3HG GLU 92 -10.765 5.969 -2.122 638 H GLU 93 HN GLU 93 -12.801 2.630 -0.791 639 HA GLU 93 HA GLU 93 -14.150 3.597 1.511 640 1HB GLU 93 2HB GLU 93 -14.877 2.774 -1.197 641 2HB GLU 93 3HB GLU 93 -15.980 1.990 -0.080 642 1HG GLU 93 2HG GLU 93 -16.378 4.270 0.977 643 2HG GLU 93 3HG GLU 93 -15.482 4.952 -0.394 644 H GLU 94 HN GLU 94 -12.420 1.846 2.500 645 HA GLU 94 HA GLU 94 -14.183 -0.116 3.851 646 1HB GLU 94 2HB GLU 94 -11.264 -0.634 3.110 647 2HB GLU 94 3HB GLU 94 -12.152 -1.429 4.412 648 1HG GLU 94 2HG GLU 94 -13.849 -2.182 2.628 649 2HG GLU 94 3HG GLU 94 -12.642 -1.690 1.437 650 H ILE 95 HN ILE 95 -11.127 1.857 3.919 651 HA ILE 95 HA ILE 95 -10.953 1.671 6.737 652 HB ILE 95 HB ILE 95 -9.072 3.147 6.516 653 1HG1 ILE 95 2HG1 ILE 95 -9.410 3.233 3.513 654 2HG1 ILE 95 3HG1 ILE 95 -10.266 4.407 4.505 655 1HG2 ILE 95 1HG2 ILE 95 -8.939 0.771 6.100 656 2HG2 ILE 95 2HG2 ILE 95 -9.113 0.996 4.358 657 3HG2 ILE 95 3HG2 ILE 95 -7.701 1.667 5.200 658 1HD1 ILE 95 HD2 ILE 95 -7.315 4.018 4.854 659 2HD1 ILE 95 HD3 ILE 95 -8.039 5.119 3.644 660 3HD1 ILE 95 HD1 ILE 95 -8.350 5.352 5.386 661 H VAL 96 HN VAL 96 -12.446 4.166 4.737 662 HA VAL 96 HA VAL 96 -12.669 6.014 7.058 663 HB VAL 96 HB VAL 96 -13.493 7.594 5.463 664 1HG1 VAL 96 1HG1 VAL 96 -11.091 7.430 6.147 665 2HG1 VAL 96 2HG1 VAL 96 -10.788 6.455 4.698 666 3HG1 VAL 96 3HG1 VAL 96 -11.340 8.121 4.536 667 1HG2 VAL 96 2HG2 VAL 96 -14.374 6.112 3.672 668 2HG2 VAL 96 3HG2 VAL 96 -13.190 7.273 3.065 669 3HG2 VAL 96 1HG2 VAL 96 -12.721 5.586 3.300 No H/Q in entry = 668 Start of MODEL 13 1 1H ALA 1 1HN ALA 1 15.895 -4.847 1.721 2 2H ALA 1 2HN ALA 1 16.548 -3.401 1.277 3 2H ALA 1 3HN ALA 1 16.548 -3.401 1.277 4 HA ALA 1 HA ALA 1 16.965 -3.921 -0.814 5 1HB ALA 1 1HB ALA 1 18.801 -5.068 0.043 6 2HB ALA 1 2HB ALA 1 17.820 -6.534 0.325 7 3HB ALA 1 3HB ALA 1 18.099 -5.951 -1.357 8 H THR 2 HN THR 2 14.861 -3.824 -1.629 9 HA THR 2 HA THR 2 13.304 -4.703 -3.095 10 HB THR 2 HB THR 2 15.618 -6.607 -3.463 11 HG1 THR 2 HG1 THR 2 15.408 -3.915 -4.319 12 1HG2 THR 2 3HG2 THR 2 13.703 -5.253 -5.429 13 2HG2 THR 2 1HG2 THR 2 15.130 -6.205 -5.882 14 3HG2 THR 2 2HG2 THR 2 13.775 -6.983 -5.050 15 H TYR 3 HN TYR 3 11.724 -5.432 -1.510 16 HA TYR 3 HA TYR 3 11.817 -8.343 -0.890 17 1HB TYR 3 2HB TYR 3 10.011 -6.192 0.236 18 2HB TYR 3 3HB TYR 3 10.198 -7.843 0.806 19 HD1 TYR 3 HD1 TYR 3 12.929 -8.437 1.158 20 HD2 TYR 3 HD2 TYR 3 11.025 -4.590 1.571 21 HE1 TYR 3 HE1 TYR 3 14.870 -7.597 2.435 22 HE2 TYR 3 HE2 TYR 3 12.849 -3.852 3.054 23 HH TYR 3 HOH TYR 3 14.945 -4.379 3.909 24 H ASN 4 HN ASN 4 9.990 -9.661 -0.959 25 HA ASN 4 HA ASN 4 8.266 -9.603 -3.217 26 1HB ASN 4 2HB ASN 4 9.052 -11.695 -2.261 27 2HB ASN 4 3HB ASN 4 8.535 -11.217 -0.639 28 1HD2 ASN 4 2HND ASN 4 5.361 -11.970 -3.132 29 2HD2 ASN 4 1HND ASN 4 6.579 -10.740 -3.535 30 H VAL 5 HN VAL 5 6.874 -7.865 -3.224 31 HA VAL 5 HA VAL 5 5.088 -7.516 -0.852 32 HB VAL 5 HB VAL 5 5.463 -5.644 -3.189 33 1HG1 VAL 5 2HG1 VAL 5 3.885 -5.453 -0.568 34 2HG1 VAL 5 3HG1 VAL 5 4.167 -4.107 -1.671 35 3HG1 VAL 5 1HG1 VAL 5 3.213 -5.493 -2.201 36 1HG2 VAL 5 2HG2 VAL 5 6.646 -5.686 -0.382 37 2HG2 VAL 5 3HG2 VAL 5 7.480 -5.555 -1.931 38 3HG2 VAL 5 1HG2 VAL 5 6.487 -4.204 -1.335 39 H LYS 6 HN LYS 6 3.385 -8.987 -1.079 40 HA LYS 6 HA LYS 6 2.178 -9.293 -3.733 41 1HB LYS 6 2HB LYS 6 2.255 -11.155 -2.137 42 2HB LYS 6 3HB LYS 6 1.121 -10.251 -1.104 43 1HG LYS 6 2HG LYS 6 -0.469 -10.069 -3.081 44 2HG LYS 6 3HG LYS 6 0.670 -11.036 -4.028 45 1HD LYS 6 2HD LYS 6 -0.872 -11.881 -1.534 46 2HD LYS 6 3HD LYS 6 -1.178 -12.268 -3.220 47 1HE LYS 6 2HE LYS 6 1.293 -13.179 -3.234 48 2HE LYS 6 3HE LYS 6 1.147 -13.173 -1.479 49 1HZ LYS 6 3HNZ LYS 6 -0.804 -14.476 -3.311 50 2HZ LYS 6 1HNZ LYS 6 0.464 -15.297 -2.630 51 3HZ LYS 6 2HNZ LYS 6 -0.742 -14.659 -1.694 52 H LEU 7 HN LEU 7 0.541 -8.180 -4.563 53 HA LEU 7 HA LEU 7 -1.140 -6.490 -2.799 54 1HB LEU 7 2HB LEU 7 -0.327 -6.224 -5.710 55 2HB LEU 7 3HB LEU 7 -1.507 -5.174 -4.938 56 HG LEU 7 HG LEU 7 1.440 -5.443 -4.199 57 1HD1 LEU 7 3HD1 LEU 7 -0.067 -3.484 -5.917 58 2HD1 LEU 7 1HD1 LEU 7 1.565 -3.151 -5.309 59 3HD1 LEU 7 2HD1 LEU 7 1.285 -4.521 -6.412 60 1HD2 LEU 7 3HD2 LEU 7 -0.292 -4.540 -2.460 61 2HD2 LEU 7 1HD2 LEU 7 1.151 -3.558 -2.788 62 3HD2 LEU 7 2HD2 LEU 7 -0.407 -3.133 -3.522 63 H ILE 8 HN ILE 8 -2.784 -7.733 -2.229 64 HA ILE 8 HA ILE 8 -4.039 -9.554 -4.166 65 HB ILE 8 HB ILE 8 -4.710 -8.704 -1.368 66 1HG1 ILE 8 2HG1 ILE 8 -4.003 -11.482 -2.186 67 2HG1 ILE 8 3HG1 ILE 8 -2.706 -10.303 -1.949 68 1HG2 ILE 8 3HG2 ILE 8 -6.128 -10.689 -3.184 69 2HG2 ILE 8 1HG2 ILE 8 -6.433 -10.506 -1.445 70 3HG2 ILE 8 2HG2 ILE 8 -6.809 -9.179 -2.544 71 1HD1 ILE 8 HD1 ILE 8 -4.790 -11.026 0.137 72 2HD1 ILE 8 HD2 ILE 8 -3.106 -11.577 0.088 73 3HD1 ILE 8 HD3 ILE 8 -3.460 -9.852 0.314 74 H THR 9 HN THR 9 -4.543 -8.271 -5.908 75 HA THR 9 HA THR 9 -6.203 -5.906 -5.568 76 HB THR 9 HB THR 9 -6.045 -5.921 -8.025 77 HG1 THR 9 HG1 THR 9 -5.669 -8.235 -8.300 78 1HG2 THR 9 1HG2 THR 9 -3.340 -6.287 -6.630 79 2HG2 THR 9 2HG2 THR 9 -3.587 -5.521 -8.206 80 3HG2 THR 9 3HG2 THR 9 -4.250 -4.749 -6.756 81 HA PRO 10 HA PRO 10 -10.112 -7.962 -6.088 82 1HB PRO 10 2HB PRO 10 -10.698 -6.155 -8.379 83 2HB PRO 10 3HB PRO 10 -11.648 -6.477 -6.888 84 1HG PRO 10 2HG PRO 10 -10.238 -4.235 -7.251 85 2HG PRO 10 3HG PRO 10 -10.333 -4.983 -5.638 86 1HD PRO 10 2HD PRO 10 -8.080 -4.984 -7.500 87 2HD PRO 10 3HD PRO 10 -8.093 -5.029 -5.769 88 H ASP 11 HN ASP 11 -8.316 -7.245 -9.047 89 HA ASP 11 HA ASP 11 -9.280 -8.958 -10.996 90 1HB ASP 11 2HB ASP 11 -6.548 -7.823 -10.254 91 2HB ASP 11 3HB ASP 11 -6.712 -8.932 -11.599 92 H GLY 12 HN GLY 12 -7.308 -9.595 -8.189 93 1HA GLY 12 2HA GLY 12 -7.485 -11.592 -7.135 94 2HA GLY 12 3HA GLY 12 -7.404 -12.535 -8.647 95 H GLU 13 HN GLU 13 -5.570 -10.126 -6.801 96 HA GLU 13 HA GLU 13 -3.419 -9.887 -6.122 97 1HB GLU 13 2HB GLU 13 -3.140 -12.739 -6.988 98 2HB GLU 13 3HB GLU 13 -1.913 -11.827 -6.122 99 1HG GLU 13 2HG GLU 13 -3.171 -11.700 -4.165 100 2HG GLU 13 3HG GLU 13 -4.678 -12.207 -4.945 101 H VAL 14 HN VAL 14 -1.315 -9.454 -6.840 102 HA VAL 14 HA VAL 14 -0.752 -10.020 -9.716 103 HB VAL 14 HB VAL 14 -1.810 -7.878 -9.562 104 1HG1 VAL 14 3HG1 VAL 14 -1.128 -7.303 -7.292 105 2HG1 VAL 14 1HG1 VAL 14 0.422 -6.699 -7.947 106 3HG1 VAL 14 2HG1 VAL 14 -1.142 -5.999 -8.433 107 1HG2 VAL 14 2HG2 VAL 14 -0.003 -8.338 -11.267 108 2HG2 VAL 14 3HG2 VAL 14 -0.230 -6.625 -10.903 109 3HG2 VAL 14 1HG2 VAL 14 1.147 -7.505 -10.197 110 H GLU 15 HN GLU 15 0.689 -8.491 -6.881 111 HA GLU 15 HA GLU 15 2.545 -8.858 -5.717 112 1HB GLU 15 2HB GLU 15 1.909 -11.362 -6.035 113 2HB GLU 15 3HB GLU 15 3.138 -11.386 -7.305 114 1HG GLU 15 2HG GLU 15 4.893 -10.819 -5.733 115 2HG GLU 15 3HG GLU 15 3.720 -10.565 -4.437 116 H PHE 16 HN PHE 16 4.688 -8.289 -5.681 117 HA PHE 16 HA PHE 16 6.296 -8.315 -8.052 118 1HB PHE 16 2HB PHE 16 6.427 -6.169 -8.707 119 2HB PHE 16 3HB PHE 16 4.721 -6.525 -8.636 120 HD1 PHE 16 HD1 PHE 16 3.747 -6.021 -6.024 121 HD2 PHE 16 HD2 PHE 16 7.110 -4.104 -7.948 122 HE1 PHE 16 HE1 PHE 16 3.682 -4.266 -4.402 123 HE2 PHE 16 HE2 PHE 16 6.959 -2.288 -6.380 124 HZ PHE 16 HZ PHE 16 5.179 -2.230 -4.641 125 H LYS 17 HN LYS 17 8.341 -6.999 -7.752 126 HA LYS 17 HA LYS 17 9.281 -7.296 -4.975 127 1HB LYS 17 2HB LYS 17 10.496 -7.800 -7.535 128 2HB LYS 17 3HB LYS 17 11.348 -6.443 -6.801 129 1HG LYS 17 2HG LYS 17 12.448 -8.463 -6.077 130 2HG LYS 17 3HG LYS 17 11.593 -7.746 -4.706 131 1HD LYS 17 2HD LYS 17 10.858 -9.863 -4.399 132 2HD LYS 17 3HD LYS 17 9.622 -9.332 -5.539 133 1HE LYS 17 2HE LYS 17 10.178 -10.863 -7.069 134 2HE LYS 17 3HE LYS 17 11.871 -10.373 -7.064 135 1HZ LYS 17 1HNZ LYS 17 10.635 -12.245 -5.158 136 2HZ LYS 17 2HNZ LYS 17 11.628 -12.643 -6.405 137 3HZ LYS 17 3HNZ LYS 17 12.213 -11.768 -5.141 138 H CYS 18 HN CYS 18 9.486 -5.569 -3.708 139 HA CYS 18 HA CYS 18 9.385 -2.860 -4.980 140 1HB CYS 18 2HB CYS 18 7.324 -3.482 -3.800 141 2HB CYS 18 3HB CYS 18 8.325 -3.500 -2.336 142 HG CYS 18 HSG CYS 18 8.024 -1.126 -4.650 143 H ASP 19 HN ASP 19 11.243 -1.709 -4.664 144 HA ASP 19 HA ASP 19 13.287 -2.611 -2.849 145 1HB ASP 19 2HB ASP 19 13.114 0.067 -4.251 146 2HB ASP 19 3HB ASP 19 14.518 -0.668 -3.455 147 H ASP 20 HN ASP 20 14.071 -1.676 -0.992 148 HA ASP 20 HA ASP 20 11.918 -0.886 0.773 149 1HB ASP 20 2HB ASP 20 13.797 -1.354 2.500 150 2HB ASP 20 3HB ASP 20 13.345 -2.602 1.358 151 H ASP 21 HN ASP 21 13.798 0.879 -1.271 152 HA ASP 21 HA ASP 21 13.366 3.373 0.301 153 1HB ASP 21 2HB ASP 21 15.609 2.567 -1.599 154 2HB ASP 21 3HB ASP 21 15.254 4.247 -1.208 155 H VAL 22 HN VAL 22 11.538 1.762 -1.689 156 HA VAL 22 HA VAL 22 10.935 4.208 -3.271 157 HB VAL 22 HB VAL 22 12.129 2.328 -4.611 158 1HG1 VAL 22 1HG1 VAL 22 10.636 0.467 -3.761 159 2HG1 VAL 22 2HG1 VAL 22 9.330 1.154 -4.728 160 3HG1 VAL 22 3HG1 VAL 22 10.824 0.582 -5.503 161 1HG2 VAL 22 3HG2 VAL 22 10.997 4.301 -5.607 162 2HG2 VAL 22 1HG2 VAL 22 10.784 2.838 -6.588 163 3HG2 VAL 22 2HG2 VAL 22 9.459 3.411 -5.559 164 H TYR 23 HN TYR 23 8.699 4.564 -3.705 165 HA TYR 23 HA TYR 23 6.953 3.625 -1.603 166 1HB TYR 23 2HB TYR 23 6.407 5.065 -4.212 167 2HB TYR 23 3HB TYR 23 5.138 4.598 -3.090 168 HD1 TYR 23 HD2 TYR 23 7.735 5.619 -0.936 169 HD2 TYR 23 HD1 TYR 23 4.813 7.146 -3.724 170 HE1 TYR 23 HE2 TYR 23 7.781 7.811 0.194 171 HE2 TYR 23 HE1 TYR 23 4.925 9.361 -2.610 172 HH TYR 23 HOH TYR 23 6.938 9.963 0.275 173 H VAL 24 HN VAL 24 5.453 1.984 -1.651 174 HA VAL 24 HA VAL 24 5.714 -0.228 -3.301 175 HB VAL 24 HB VAL 24 3.032 0.621 -2.156 176 1HG1 VAL 24 2HG1 VAL 24 3.079 -1.402 -3.658 177 2HG1 VAL 24 3HG1 VAL 24 4.337 -2.088 -2.593 178 3HG1 VAL 24 1HG1 VAL 24 2.698 -1.805 -1.976 179 1HG2 VAL 24 2HG2 VAL 24 5.459 -0.633 -0.797 180 2HG2 VAL 24 3HG2 VAL 24 4.518 0.782 -0.284 181 3HG2 VAL 24 1HG2 VAL 24 3.794 -0.815 -0.190 182 H LEU 25 HN LEU 25 3.196 2.313 -3.793 183 HA LEU 25 HA LEU 25 2.262 1.246 -6.191 184 1HB LEU 25 2HB LEU 25 1.091 3.235 -6.583 185 2HB LEU 25 3HB LEU 25 1.148 2.945 -4.844 186 HG LEU 25 HG LEU 25 3.013 4.683 -4.699 187 1HD1 LEU 25 3HD1 LEU 25 2.574 4.827 -7.646 188 2HD1 LEU 25 1HD1 LEU 25 2.366 6.377 -6.842 189 3HD1 LEU 25 2HD1 LEU 25 3.879 5.535 -6.656 190 1HD2 LEU 25 1HD2 LEU 25 0.598 4.939 -4.206 191 2HD2 LEU 25 2HD2 LEU 25 1.365 6.466 -4.724 192 3HD2 LEU 25 3HD2 LEU 25 0.330 5.539 -5.842 193 H ASP 26 HN ASP 26 5.068 3.359 -5.704 194 HA ASP 26 HA ASP 26 5.173 4.463 -8.320 195 1HB ASP 26 2HB ASP 26 6.353 5.363 -6.396 196 2HB ASP 26 3HB ASP 26 7.362 3.929 -6.276 197 H GLN 27 HN GLN 27 7.211 1.939 -6.874 198 HA GLN 27 HA GLN 27 8.208 1.050 -9.328 199 1HB GLN 27 2HB GLN 27 9.322 0.778 -7.247 200 2HB GLN 27 3HB GLN 27 8.110 -0.359 -6.637 201 1HG GLN 27 2HG GLN 27 8.804 -2.038 -8.146 202 2HG GLN 27 3HG GLN 27 9.535 -0.869 -9.258 203 1HE2 GLN 27 2HNE GLN 27 12.703 -0.882 -7.580 204 2HE2 GLN 27 1HNE GLN 27 11.782 -0.316 -8.993 205 H ALA 28 HN ALA 28 5.307 -0.012 -7.440 206 HA ALA 28 HA ALA 28 4.614 -2.266 -8.959 207 1HB ALA 28 1HB ALA 28 3.443 -1.417 -6.912 208 2HB ALA 28 2HB ALA 28 2.697 -0.157 -7.940 209 3HB ALA 28 3HB ALA 28 2.351 -1.849 -8.218 210 H GLU 29 HN GLU 29 3.527 1.126 -9.571 211 HA GLU 29 HA GLU 29 2.226 0.564 -12.014 212 1HB GLU 29 2HB GLU 29 3.384 3.149 -10.880 213 2HB GLU 29 3HB GLU 29 2.509 3.054 -12.417 214 1HG GLU 29 2HG GLU 29 0.544 2.069 -11.246 215 2HG GLU 29 3HG GLU 29 1.373 2.288 -9.700 216 H GLU 30 HN GLU 30 5.661 1.514 -11.283 217 HA GLU 30 HA GLU 30 6.606 1.582 -13.937 218 1HB GLU 30 2HB GLU 30 8.037 0.606 -11.476 219 2HB GLU 30 3HB GLU 30 8.793 0.842 -13.033 220 1HG GLU 30 2HG GLU 30 7.261 3.193 -11.938 221 2HG GLU 30 3HG GLU 30 8.788 2.766 -11.166 222 H GLU 31 HN GLU 31 5.942 -1.320 -11.968 223 HA GLU 31 HA GLU 31 6.972 -3.040 -14.090 224 1HB GLU 31 2HB GLU 31 5.099 -3.877 -11.868 225 2HB GLU 31 3HB GLU 31 6.264 -4.856 -12.767 226 1HG GLU 31 2HG GLU 31 7.697 -2.640 -11.627 227 2HG GLU 31 3HG GLU 31 6.606 -3.220 -10.392 228 H GLY 32 HN GLY 32 4.004 -1.454 -13.363 229 1HA GLY 32 2HA GLY 32 2.519 -0.965 -15.233 230 2HA GLY 32 3HA GLY 32 2.655 -2.641 -15.777 231 H ILE 33 HN ILE 33 2.526 -2.203 -12.311 232 HA ILE 33 HA ILE 33 -0.002 -3.631 -12.227 233 HB ILE 33 HB ILE 33 1.616 -2.320 -10.069 234 1HG1 ILE 33 2HG1 ILE 33 1.611 -5.147 -11.134 235 2HG1 ILE 33 3HG1 ILE 33 2.924 -4.002 -11.367 236 1HG2 ILE 33 1HG2 ILE 33 -0.864 -3.064 -9.575 237 2HG2 ILE 33 2HG2 ILE 33 -0.243 -4.681 -9.804 238 3HG2 ILE 33 3HG2 ILE 33 0.391 -3.668 -8.488 239 1HD1 ILE 33 HD3 ILE 33 2.674 -4.022 -8.582 240 2HD1 ILE 33 HD1 ILE 33 2.487 -5.718 -9.067 241 3HD1 ILE 33 HD2 ILE 33 3.910 -4.771 -9.585 242 H ASP 34 HN ASP 34 -1.931 -2.768 -12.153 243 HA ASP 34 HA ASP 34 -2.359 0.155 -11.756 244 1HB ASP 34 2HB ASP 34 -3.371 -1.011 -13.683 245 2HB ASP 34 3HB ASP 34 -4.312 -2.036 -12.568 246 H ILE 35 HN ILE 35 -2.862 0.916 -9.793 247 HA ILE 35 HA ILE 35 -4.515 -0.617 -7.977 248 HB ILE 35 HB ILE 35 -3.147 -0.561 -6.109 249 1HG1 ILE 35 2HG1 ILE 35 -1.014 1.040 -7.584 250 2HG1 ILE 35 3HG1 ILE 35 -2.108 1.666 -6.340 251 1HG2 ILE 35 2HG2 ILE 35 -2.614 -2.380 -7.691 252 2HG2 ILE 35 3HG2 ILE 35 -1.227 -1.389 -8.257 253 3HG2 ILE 35 1HG2 ILE 35 -1.324 -1.960 -6.588 254 1HD1 ILE 35 HD1 ILE 35 -1.219 -0.239 -4.827 255 2HD1 ILE 35 HD2 ILE 35 0.126 -0.352 -5.979 256 3HD1 ILE 35 HD3 ILE 35 -0.164 1.155 -5.109 257 HA PRO 36 HA PRO 36 -6.318 3.234 -7.442 258 1HB PRO 36 2HB PRO 36 -6.314 3.306 -4.486 259 2HB PRO 36 3HB PRO 36 -7.686 3.178 -5.609 260 1HG PRO 36 2HG PRO 36 -6.707 1.084 -4.046 261 2HG PRO 36 3HG PRO 36 -7.653 0.885 -5.551 262 1HD PRO 36 2HD PRO 36 -4.712 0.539 -5.142 263 2HD PRO 36 3HD PRO 36 -5.797 -0.213 -6.310 264 H TYR 37 HN TYR 37 -5.613 5.427 -7.339 265 HA TYR 37 HA TYR 37 -3.745 6.404 -5.430 266 1HB TYR 37 2HB TYR 37 -2.078 5.192 -6.712 267 2HB TYR 37 3HB TYR 37 -2.710 5.794 -8.233 268 HD1 TYR 37 HD2 TYR 37 -2.085 7.919 -5.194 269 HD2 TYR 37 HD1 TYR 37 -0.580 6.616 -9.016 270 HE1 TYR 37 HE2 TYR 37 -0.112 9.348 -4.898 271 HE2 TYR 37 HE1 TYR 37 1.335 8.132 -8.777 272 HH TYR 37 HOH TYR 37 2.506 9.449 -7.338 273 H SER 38 HN SER 38 -3.475 7.659 -8.672 274 HA SER 38 HA SER 38 -4.060 9.671 -9.532 275 1HB SER 38 2HB SER 38 -6.582 10.146 -9.515 276 2HB SER 38 3HB SER 38 -6.010 8.651 -10.267 277 HG SER 38 HOG SER 38 -6.741 8.548 -7.575 278 H CYS 39 HN CYS 39 -2.683 10.093 -7.377 279 HA CYS 39 HA CYS 39 -3.679 12.568 -6.137 280 1HB CYS 39 2HB CYS 39 -4.377 10.803 -4.622 281 2HB CYS 39 3HB CYS 39 -2.793 10.028 -4.791 282 H ARG 40 HN ARG 40 -1.656 13.417 -4.871 283 HA ARG 40 HA ARG 40 0.622 11.916 -4.771 284 1HB ARG 40 2HB ARG 40 1.108 12.507 -7.079 285 2HB ARG 40 3HB ARG 40 0.876 14.234 -6.738 286 1HG ARG 40 2HG ARG 40 2.892 14.293 -5.413 287 2HG ARG 40 3HG ARG 40 3.021 12.512 -5.409 288 1HD ARG 40 2HD ARG 40 3.441 12.429 -7.759 289 2HD ARG 40 3HD ARG 40 3.005 14.147 -7.965 290 HE ARG 40 HNE ARG 40 5.186 13.935 -6.139 291 1HH1 ARG 40 2HN2 ARG 40 4.470 13.441 -9.540 292 2HH1 ARG 40 1HN2 ARG 40 5.997 14.007 -10.142 293 1HH2 ARG 40 2HN1 ARG 40 7.248 14.732 -6.873 294 2HH2 ARG 40 1HN1 ARG 40 7.629 14.749 -8.565 295 H ALA 41 HN ALA 41 1.981 12.798 -3.178 296 HA ALA 41 HA ALA 41 2.746 14.136 -1.542 297 1HB ALA 41 3HB ALA 41 2.328 16.164 -2.937 298 2HB ALA 41 1HB ALA 41 0.723 16.306 -2.180 299 3HB ALA 41 2HB ALA 41 2.175 16.403 -1.186 300 H GLY 42 HN GLY 42 2.226 12.796 0.070 301 1HA GLY 42 2HA GLY 42 -0.058 11.840 1.089 302 2HA GLY 42 3HA GLY 42 1.326 12.284 2.092 303 H SER 43 HN SER 43 -1.799 12.533 2.113 304 HA SER 43 HA SER 43 -2.847 13.686 3.960 305 1HB SER 43 2HB SER 43 -1.080 15.477 4.198 306 2HB SER 43 3HB SER 43 -1.820 16.286 2.795 307 HG SER 43 HOG SER 43 -2.666 17.033 4.782 308 H CYS 44 HN CYS 44 -4.288 12.500 2.602 309 HA CYS 44 HA CYS 44 -5.824 14.080 0.633 310 1HB CYS 44 2HB CYS 44 -5.456 12.522 -1.071 311 2HB CYS 44 3HB CYS 44 -3.863 12.811 -0.381 312 H SER 45 HN SER 45 -7.144 11.562 -0.226 313 HA SER 45 HA SER 45 -8.137 10.212 2.048 314 1HB SER 45 2HB SER 45 -9.542 12.389 2.065 315 2HB SER 45 3HB SER 45 -10.247 11.815 0.539 316 HG SER 45 HOG SER 45 -10.271 10.523 3.082 317 H SER 46 HN SER 46 -9.802 8.590 1.245 318 HA SER 46 HA SER 46 -10.319 6.840 -0.089 319 1HB SER 46 2HB SER 46 -10.039 8.822 -2.384 320 2HB SER 46 3HB SER 46 -10.920 7.294 -2.408 321 HG SER 46 HOG SER 46 -12.301 8.125 -0.795 322 H CYS 47 HN CYS 47 -7.845 6.462 0.701 323 HA CYS 47 HA CYS 47 -6.791 4.833 -1.454 324 1HB CYS 47 2HB CYS 47 -5.299 6.200 -2.174 325 2HB CYS 47 3HB CYS 47 -5.681 7.426 -0.957 326 H ALA 48 HN ALA 48 -6.344 2.913 -0.523 327 HA ALA 48 HA ALA 48 -4.663 2.631 1.702 328 1HB ALA 48 1HB ALA 48 -7.628 2.242 2.329 329 2HB ALA 48 2HB ALA 48 -6.305 1.619 3.338 330 3HB ALA 48 3HB ALA 48 -6.490 3.352 3.124 331 H GLY 49 HN GLY 49 -4.424 0.435 2.386 332 1HA GLY 49 2HA GLY 49 -5.812 -1.662 0.880 333 2HA GLY 49 3HA GLY 49 -4.039 -1.686 0.942 334 H LYS 50 HN LYS 50 -5.502 -3.797 2.047 335 HA LYS 50 HA LYS 50 -5.384 -3.443 4.946 336 1HB LYS 50 2HB LYS 50 -7.267 -4.448 3.514 337 2HB LYS 50 3HB LYS 50 -6.270 -5.899 3.392 338 1HG LYS 50 2HG LYS 50 -6.379 -6.313 5.745 339 2HG LYS 50 3HG LYS 50 -6.851 -4.631 6.075 340 1HD LYS 50 2HD LYS 50 -8.908 -5.072 4.624 341 2HD LYS 50 3HD LYS 50 -8.569 -6.800 4.862 342 1HE LYS 50 2HE LYS 50 -8.634 -6.498 7.347 343 2HE LYS 50 3HE LYS 50 -8.790 -4.766 7.154 344 1HZ LYS 50 3HNZ LYS 50 -10.867 -5.147 5.935 345 2HZ LYS 50 1HNZ LYS 50 -10.856 -6.710 6.423 346 3HZ LYS 50 2HNZ LYS 50 -10.925 -5.476 7.531 347 H VAL 51 HN VAL 51 -3.553 -3.997 5.989 348 HA VAL 51 HA VAL 51 -1.350 -5.425 4.744 349 HB VAL 51 HB VAL 51 -1.904 -4.677 7.682 350 1HG1 VAL 51 3HG1 VAL 51 -0.106 -6.377 7.473 351 2HG1 VAL 51 1HG1 VAL 51 0.757 -5.305 6.334 352 3HG1 VAL 51 2HG1 VAL 51 0.506 -4.809 8.020 353 1HG2 VAL 51 3HG2 VAL 51 -1.859 -2.670 6.266 354 2HG2 VAL 51 1HG2 VAL 51 -0.455 -2.702 7.333 355 3HG2 VAL 51 2HG2 VAL 51 -0.268 -3.161 5.626 356 H VAL 52 HN VAL 52 -1.562 -7.558 4.336 357 HA VAL 52 HA VAL 52 -3.234 -9.278 6.074 358 HB VAL 52 HB VAL 52 -1.575 -9.818 3.608 359 1HG1 VAL 52 1HG1 VAL 52 -3.519 -11.637 5.101 360 2HG1 VAL 52 2HG1 VAL 52 -2.822 -11.988 3.507 361 3HG1 VAL 52 3HG1 VAL 52 -1.768 -11.898 4.920 362 1HG2 VAL 52 3HG2 VAL 52 -4.552 -9.392 4.029 363 2HG2 VAL 52 1HG2 VAL 52 -3.425 -8.444 3.029 364 3HG2 VAL 52 2HG2 VAL 52 -3.860 -10.092 2.556 365 H SER 53 HN SER 53 0.226 -8.670 5.301 366 HA SER 53 HA SER 53 1.008 -9.818 7.860 367 1HB SER 53 2HB SER 53 0.781 -11.858 6.403 368 2HB SER 53 3HB SER 53 2.006 -11.173 5.313 369 HG SER 53 HOG SER 53 2.886 -12.620 6.901 370 H GLY 54 HN GLY 54 3.663 -10.078 7.449 371 1HA GLY 54 2HA GLY 54 5.630 -8.835 7.402 372 2HA GLY 54 3HA GLY 54 4.994 -8.099 5.933 373 H SER 55 HN SER 55 6.149 -6.115 6.690 374 HA SER 55 HA SER 55 4.142 -4.374 7.789 375 1HB SER 55 2HB SER 55 6.899 -4.323 9.055 376 2HB SER 55 3HB SER 55 5.485 -3.372 9.482 377 HG SER 55 HOG SER 55 4.606 -5.756 9.775 378 H ILE 56 HN ILE 56 4.611 -2.171 7.193 379 HA ILE 56 HA ILE 56 6.972 -1.638 5.562 380 HB ILE 56 HB ILE 56 5.660 -0.620 3.828 381 1HG1 ILE 56 2HG1 ILE 56 3.152 -1.628 5.181 382 2HG1 ILE 56 3HG1 ILE 56 3.649 0.058 5.066 383 1HG2 ILE 56 2HG2 ILE 56 6.070 -3.272 3.907 384 2HG2 ILE 56 3HG2 ILE 56 4.319 -3.284 4.052 385 3HG2 ILE 56 1HG2 ILE 56 5.075 -2.539 2.635 386 1HD1 ILE 56 HD1 ILE 56 3.820 -0.505 2.438 387 2HD1 ILE 56 HD2 ILE 56 2.665 -1.778 2.874 388 3HD1 ILE 56 HD3 ILE 56 2.273 -0.073 3.143 389 H ASP 57 HN ASP 57 7.293 0.708 5.438 390 HA ASP 57 HA ASP 57 6.337 2.074 7.914 391 1HB ASP 57 2HB ASP 57 8.789 1.748 7.632 392 2HB ASP 57 3HB ASP 57 8.731 2.593 6.075 393 H GLN 58 HN GLN 58 4.458 3.079 7.377 394 HA GLN 58 HA GLN 58 4.473 4.857 4.982 395 1HB GLN 58 2HB GLN 58 1.993 4.943 5.437 396 2HB GLN 58 3HB GLN 58 2.597 3.362 4.933 397 1HG GLN 58 2HG GLN 58 2.459 2.498 7.125 398 2HG GLN 58 3HG GLN 58 2.376 4.094 7.867 399 1HE2 GLN 58 2HNE GLN 58 -0.963 2.454 7.911 400 2HE2 GLN 58 1HNE GLN 58 0.646 2.084 8.500 401 H SER 59 HN SER 59 5.997 5.434 7.574 402 HA SER 59 HA SER 59 4.354 7.452 8.891 403 1HB SER 59 2HB SER 59 7.279 6.672 9.179 404 2HB SER 59 3HB SER 59 6.441 7.858 10.189 405 HG SER 59 HOG SER 59 4.892 6.143 10.654 406 H ASP 60 HN ASP 60 4.145 8.215 6.549 407 HA ASP 60 HA ASP 60 5.833 10.645 6.070 408 1HB ASP 60 2HB ASP 60 6.389 8.437 4.735 409 2HB ASP 60 3HB ASP 60 4.944 8.832 3.818 410 H GLN 61 HN GLN 61 2.701 8.953 5.594 411 HA GLN 61 HA GLN 61 1.467 11.009 4.065 412 1HB GLN 61 2HB GLN 61 -0.104 9.417 3.704 413 2HB GLN 61 3HB GLN 61 1.264 8.397 4.159 414 1HG GLN 61 2HG GLN 61 -1.262 8.960 5.717 415 2HG GLN 61 3HG GLN 61 -0.641 7.448 5.100 416 1HE2 GLN 61 2HNE GLN 61 0.022 7.006 8.570 417 2HE2 GLN 61 1HNE GLN 61 -1.319 6.894 7.441 418 H SER 62 HN SER 62 -1.051 11.155 4.916 419 HA SER 62 HA SER 62 -1.427 11.462 7.758 420 1HB SER 62 2HB SER 62 -1.456 13.946 5.994 421 2HB SER 62 3HB SER 62 -2.296 13.852 7.544 422 HG SER 62 HOG SER 62 0.419 13.137 7.451 423 H PHE 63 HN PHE 63 -2.869 9.679 7.003 424 HA PHE 63 HA PHE 63 -5.471 10.799 6.520 425 1HB PHE 63 2HB PHE 63 -5.026 10.623 4.203 426 2HB PHE 63 3HB PHE 63 -4.313 9.015 4.385 427 HD1 PHE 63 HD2 PHE 63 -7.581 10.124 5.932 428 HD2 PHE 63 HD1 PHE 63 -5.636 7.840 2.803 429 HE1 PHE 63 HE2 PHE 63 -9.524 8.658 5.779 430 HE2 PHE 63 HE1 PHE 63 -7.595 6.390 2.702 431 HZ PHE 63 HZ PHE 63 -9.558 6.789 4.145 432 H LEU 64 HN LEU 64 -3.983 7.395 6.372 433 HA LEU 64 HA LEU 64 -6.235 6.366 7.623 434 1HB LEU 64 2HB LEU 64 -3.395 5.323 7.536 435 2HB LEU 64 3HB LEU 64 -4.632 4.515 8.463 436 HG LEU 64 HG LEU 64 -6.088 4.445 6.389 437 1HD1 LEU 64 2HD1 LEU 64 -3.425 5.197 5.115 438 2HD1 LEU 64 3HD1 LEU 64 -4.761 4.438 4.230 439 3HD1 LEU 64 1HD1 LEU 64 -4.980 6.046 4.926 440 1HD2 LEU 64 3HD2 LEU 64 -3.447 2.973 6.525 441 2HD2 LEU 64 1HD2 LEU 64 -4.960 2.537 7.348 442 3HD2 LEU 64 2HD2 LEU 64 -4.864 2.446 5.575 443 H ASP 65 HN ASP 65 -6.797 5.883 9.712 444 HA ASP 65 HA ASP 65 -5.474 7.469 11.809 445 1HB ASP 65 2HB ASP 65 -7.898 5.654 12.033 446 2HB ASP 65 3HB ASP 65 -7.398 6.905 13.179 447 H ASP 66 HN ASP 66 -5.111 6.469 13.969 448 HA ASP 66 HA ASP 66 -3.268 4.367 14.017 449 1HB ASP 66 2HB ASP 66 -5.193 5.383 16.174 450 2HB ASP 66 3HB ASP 66 -3.813 4.317 16.465 451 H GLU 67 HN GLU 67 -6.765 4.464 14.549 452 HA GLU 67 HA GLU 67 -7.256 1.846 15.315 453 1HB GLU 67 2HB GLU 67 -9.265 3.165 13.470 454 2HB GLU 67 3HB GLU 67 -9.454 2.332 15.010 455 1HG GLU 67 2HG GLU 67 -8.287 4.409 16.030 456 2HG GLU 67 3HG GLU 67 -8.648 5.177 14.465 457 H GLN 68 HN GLN 68 -7.631 3.186 11.985 458 HA GLN 68 HA GLN 68 -7.989 0.819 10.661 459 1HB GLN 68 2HB GLN 68 -6.634 3.366 9.751 460 2HB GLN 68 3HB GLN 68 -7.200 2.097 8.650 461 1HG GLN 68 2HG GLN 68 -9.468 2.316 9.310 462 2HG GLN 68 3HG GLN 68 -9.070 3.431 10.621 463 1HE2 GLN 68 2HNE GLN 68 -10.246 5.353 7.679 464 2HE2 GLN 68 1HNE GLN 68 -10.931 3.995 8.533 465 H MET 69 HN MET 69 -4.790 2.496 11.236 466 HA MET 69 HA MET 69 -3.157 0.585 10.016 467 1HB MET 69 2HB MET 69 -2.665 2.200 12.542 468 2HB MET 69 3HB MET 69 -1.434 1.322 11.638 469 1HG MET 69 2HG MET 69 -1.775 2.792 9.693 470 2HG MET 69 3HG MET 69 -3.139 3.519 10.441 471 1HE MET 69 HE3 MET 69 -2.286 5.845 10.052 472 2HE MET 69 HE1 MET 69 -0.670 6.446 10.487 473 3HE MET 69 HE2 MET 69 -0.855 5.175 9.234 474 H ASP 70 HN ASP 70 -4.106 0.612 13.477 475 HA ASP 70 HA ASP 70 -2.851 -1.807 14.239 476 1HB ASP 70 2HB ASP 70 -3.754 -0.082 15.807 477 2HB ASP 70 3HB ASP 70 -5.396 -0.513 15.326 478 H ALA 71 HN ALA 71 -6.057 -1.107 13.026 479 HA ALA 71 HA ALA 71 -7.284 -3.648 13.268 480 1HB ALA 71 3HB ALA 71 -7.781 -1.349 11.349 481 2HB ALA 71 1HB ALA 71 -8.913 -2.693 11.627 482 3HB ALA 71 2HB ALA 71 -8.522 -1.554 12.939 483 H GLY 72 HN GLY 72 -4.928 -2.470 10.922 484 1HA GLY 72 2HA GLY 72 -3.633 -4.212 9.888 485 2HA GLY 72 3HA GLY 72 -5.102 -5.088 9.495 486 H TYR 73 HN TYR 73 -4.692 -1.510 9.181 487 HA TYR 73 HA TYR 73 -4.843 -1.867 6.216 488 1HB TYR 73 2HB TYR 73 -5.951 0.352 7.899 489 2HB TYR 73 3HB TYR 73 -5.946 0.281 6.144 490 HD1 TYR 73 HD1 TYR 73 -7.069 -1.683 4.959 491 HD2 TYR 73 HD2 TYR 73 -7.799 -0.682 9.078 492 HE1 TYR 73 HE1 TYR 73 -9.245 -2.772 4.837 493 HE2 TYR 73 HE2 TYR 73 -9.990 -1.791 8.974 494 HH TYR 73 HOH TYR 73 -11.268 -3.195 5.968 495 H VAL 74 HN VAL 74 -3.876 -0.114 4.941 496 HA VAL 74 HA VAL 74 -1.766 1.469 6.197 497 HB VAL 74 HB VAL 74 -0.834 -0.790 5.962 498 1HG1 VAL 74 1HG1 VAL 74 -2.020 -1.586 3.935 499 2HG1 VAL 74 2HG1 VAL 74 -1.131 -0.403 2.947 500 3HG1 VAL 74 3HG1 VAL 74 -0.264 -1.717 3.752 501 1HG2 VAL 74 1HG2 VAL 74 0.631 1.084 5.964 502 2HG2 VAL 74 2HG2 VAL 74 1.220 -0.258 5.024 503 3HG2 VAL 74 3HG2 VAL 74 0.569 1.185 4.190 504 H LEU 75 HN LEU 75 -1.046 3.153 4.788 505 HA LEU 75 HA LEU 75 -2.781 3.860 2.594 506 1HB LEU 75 2HB LEU 75 -1.226 5.332 4.167 507 2HB LEU 75 3HB LEU 75 0.033 4.879 3.016 508 HG LEU 75 HG LEU 75 -1.729 5.678 1.222 509 1HD1 LEU 75 3HD1 LEU 75 -2.681 7.150 3.740 510 2HD1 LEU 75 1HD1 LEU 75 -3.144 7.584 2.088 511 3HD1 LEU 75 2HD1 LEU 75 -3.641 6.027 2.747 512 1HD2 LEU 75 1HD2 LEU 75 0.197 7.149 2.847 513 2HD2 LEU 75 2HD2 LEU 75 0.051 6.987 1.104 514 3HD2 LEU 75 3HD2 LEU 75 -0.938 8.184 1.935 515 H THR 76 HN THR 76 -2.332 3.574 0.312 516 HA THR 76 HA THR 76 -0.464 1.354 -0.236 517 HB THR 76 HB THR 76 -2.768 1.413 -1.139 518 HG1 THR 76 HG1 THR 76 -0.624 1.259 -2.966 519 1HG2 THR 76 3HG2 THR 76 -2.907 3.801 -1.855 520 2HG2 THR 76 1HG2 THR 76 -1.699 3.482 -3.117 521 3HG2 THR 76 2HG2 THR 76 -3.263 2.658 -3.156 522 H CYS 77 HN CYS 77 -0.811 4.820 -0.979 523 HA CYS 77 HA CYS 77 1.778 5.028 -2.316 524 1HB CYS 77 2HB CYS 77 0.164 7.202 -1.042 525 2HB CYS 77 3HB CYS 77 1.239 7.343 -2.432 526 H HIS 78 HN HIS 78 3.166 6.909 -1.285 527 HA HIS 78 HA HIS 78 4.717 7.392 0.389 528 1HB HIS 78 2HB HIS 78 2.035 7.917 1.691 529 2HB HIS 78 3HB HIS 78 3.557 8.605 2.213 530 HD1 HIS 78 HND HIS 78 1.180 8.798 -0.826 531 HD2 HIS 78 HD HIS 78 4.420 10.771 1.002 532 HE1 HIS 78 HE HIS 78 1.550 10.932 -2.137 533 H ALA 79 HN ALA 79 4.854 4.802 0.307 534 HA ALA 79 HA ALA 79 4.888 3.781 3.076 535 1HB ALA 79 2HB ALA 79 3.218 2.650 0.794 536 2HB ALA 79 3HB ALA 79 3.591 1.790 2.302 537 3HB ALA 79 1HB ALA 79 2.630 3.275 2.350 538 H TYR 80 HN TYR 80 6.773 2.745 3.316 539 HA TYR 80 HA TYR 80 8.272 1.783 0.915 540 1HB TYR 80 2HB TYR 80 9.118 2.651 3.692 541 2HB TYR 80 3HB TYR 80 10.170 1.939 2.475 542 HD1 TYR 80 HD2 TYR 80 10.364 3.114 0.201 543 HD2 TYR 80 HD1 TYR 80 8.743 5.021 3.703 544 HE1 TYR 80 HE2 TYR 80 10.774 5.335 -0.819 545 HE2 TYR 80 HE1 TYR 80 9.231 7.240 2.729 546 HH TYR 80 HOH TYR 80 10.171 8.377 0.983 547 HA PRO 81 HA PRO 81 7.534 -2.181 2.870 548 1HB PRO 81 2HB PRO 81 8.967 -3.747 1.015 549 2HB PRO 81 3HB PRO 81 7.248 -3.293 0.938 550 1HG PRO 81 2HG PRO 81 9.482 -2.238 -0.685 551 2HG PRO 81 3HG PRO 81 7.711 -2.057 -0.888 552 1HD PRO 81 2HD PRO 81 9.499 -0.083 0.068 553 2HD PRO 81 3HD PRO 81 7.729 -0.026 -0.130 554 H THR 82 HN THR 82 8.571 -2.858 4.685 555 HA THR 82 HA THR 82 11.503 -2.407 4.859 556 HB THR 82 HB THR 82 11.194 -2.605 7.254 557 HG1 THR 82 HG1 THR 82 8.537 -3.274 6.560 558 1HG2 THR 82 1HG2 THR 82 10.986 -0.440 6.054 559 2HG2 THR 82 2HG2 THR 82 9.229 -0.659 5.973 560 3HG2 THR 82 3HG2 THR 82 10.025 -0.497 7.550 561 H SER 83 HN SER 83 9.352 -5.025 4.359 562 HA SER 83 HA SER 83 11.507 -6.878 4.155 563 1HB SER 83 2HB SER 83 9.391 -7.298 6.330 564 2HB SER 83 3HB SER 83 10.419 -8.599 5.713 565 HG SER 83 HOG SER 83 11.760 -6.311 6.538 566 H ASP 84 HN ASP 84 10.050 -9.196 3.755 567 HA ASP 84 HA ASP 84 8.363 -8.692 1.491 568 1HB ASP 84 2HB ASP 84 7.770 -11.094 1.859 569 2HB ASP 84 3HB ASP 84 9.510 -10.814 1.711 570 H VAL 85 HN VAL 85 6.172 -8.681 1.406 571 HA VAL 85 HA VAL 85 4.582 -8.654 3.860 572 HB VAL 85 HB VAL 85 5.422 -6.449 4.090 573 1HG1 VAL 85 3HG1 VAL 85 5.060 -6.263 1.117 574 2HG1 VAL 85 1HG1 VAL 85 5.087 -4.786 2.082 575 3HG1 VAL 85 2HG1 VAL 85 6.485 -5.867 2.095 576 1HG2 VAL 85 1HG2 VAL 85 2.777 -6.758 4.019 577 2HG2 VAL 85 2HG2 VAL 85 3.507 -5.201 4.227 578 3HG2 VAL 85 3HG2 VAL 85 2.908 -5.692 2.627 579 H VAL 86 HN VAL 86 2.360 -8.600 3.547 580 HA VAL 86 HA VAL 86 1.434 -9.109 0.771 581 HB VAL 86 HB VAL 86 0.569 -10.569 3.306 582 1HG1 VAL 86 3HG1 VAL 86 -1.188 -10.226 1.452 583 2HG1 VAL 86 1HG1 VAL 86 -0.138 -11.194 0.420 584 3HG1 VAL 86 2HG1 VAL 86 -0.830 -11.912 1.875 585 1HG2 VAL 86 3HG2 VAL 86 2.267 -11.535 0.955 586 2HG2 VAL 86 1HG2 VAL 86 2.786 -11.403 2.647 587 3HG2 VAL 86 2HG2 VAL 86 1.564 -12.598 2.191 588 H ILE 87 HN ILE 87 -0.003 -7.506 0.315 589 HA ILE 87 HA ILE 87 -1.783 -6.600 2.453 590 HB ILE 87 HB ILE 87 -0.238 -4.923 2.504 591 1HG1 ILE 87 2HG1 ILE 87 -2.628 -4.086 1.921 592 2HG1 ILE 87 3HG1 ILE 87 -1.271 -2.962 1.938 593 1HG2 ILE 87 3HG2 ILE 87 0.172 -5.049 -0.437 594 2HG2 ILE 87 1HG2 ILE 87 0.769 -3.735 0.603 595 3HG2 ILE 87 2HG2 ILE 87 1.331 -5.396 0.851 596 1HD1 ILE 87 HD2 ILE 87 -2.009 -4.380 -0.604 597 2HD1 ILE 87 HD3 ILE 87 -2.797 -2.881 -0.133 598 3HD1 ILE 87 HD1 ILE 87 -1.051 -2.908 -0.370 599 H GLU 88 HN GLU 88 -3.816 -5.886 1.671 600 HA GLU 88 HA GLU 88 -4.483 -6.727 -1.122 601 1HB GLU 88 2HB GLU 88 -6.377 -5.914 1.042 602 2HB GLU 88 3HB GLU 88 -6.757 -6.795 -0.460 603 1HG GLU 88 2HG GLU 88 -5.721 -8.799 0.560 604 2HG GLU 88 3HG GLU 88 -5.311 -7.837 1.995 605 H THR 89 HN THR 89 -5.043 -5.187 -2.609 606 HA THR 89 HA THR 89 -4.817 -2.341 -1.719 607 HB THR 89 HB THR 89 -4.689 -1.738 -4.019 608 HG1 THR 89 HG1 THR 89 -5.054 -4.490 -4.567 609 1HG2 THR 89 3HG2 THR 89 -2.849 -4.065 -3.367 610 2HG2 THR 89 1HG2 THR 89 -2.593 -2.829 -4.619 611 3HG2 THR 89 2HG2 THR 89 -2.626 -2.363 -2.907 612 H HIS 90 HN HIS 90 -6.499 -0.860 -3.009 613 HA HIS 90 HA HIS 90 -8.598 -0.160 -3.409 614 1HB HIS 90 2HB HIS 90 -9.294 -3.067 -3.969 615 2HB HIS 90 3HB HIS 90 -10.250 -1.648 -4.388 616 HD1 HIS 90 HND HIS 90 -6.492 -2.378 -5.121 617 HD2 HIS 90 HD HIS 90 -10.174 -1.644 -7.000 618 HE1 HIS 90 HE HIS 90 -6.011 -2.431 -7.549 619 H LYS 91 HN LYS 91 -8.191 0.061 -0.871 620 HA LYS 91 HA LYS 91 -10.536 -1.161 0.522 621 1HB LYS 91 2HB LYS 91 -7.802 -0.682 1.733 622 2HB LYS 91 3HB LYS 91 -9.192 -1.449 2.506 623 1HG LYS 91 2HG LYS 91 -7.760 -2.554 0.030 624 2HG LYS 91 3HG LYS 91 -7.522 -3.109 1.678 625 1HD LYS 91 2HD LYS 91 -9.631 -3.827 1.972 626 2HD LYS 91 3HD LYS 91 -10.261 -3.160 0.475 627 1HE LYS 91 2HE LYS 91 -9.497 -4.799 -0.888 628 2HE LYS 91 3HE LYS 91 -8.050 -5.022 0.063 629 1HZ LYS 91 2HNZ LYS 91 -9.480 -6.088 1.779 630 2HZ LYS 91 3HNZ LYS 91 -10.738 -6.055 0.727 631 3HZ LYS 91 1HNZ LYS 91 -9.349 -6.951 0.444 632 H GLU 92 HN GLU 92 -9.527 1.490 -0.792 633 HA GLU 92 HA GLU 92 -9.446 3.617 0.934 634 1HB GLU 92 2HB GLU 92 -10.122 4.734 -1.183 635 2HB GLU 92 3HB GLU 92 -8.886 3.536 -1.422 636 1HG GLU 92 2HG GLU 92 -10.972 1.957 -2.087 637 2HG GLU 92 3HG GLU 92 -11.741 3.528 -2.353 638 H GLU 93 HN GLU 93 -12.346 2.230 -0.678 639 HA GLU 93 HA GLU 93 -14.124 3.558 1.260 640 1HB GLU 93 2HB GLU 93 -14.636 1.937 -1.275 641 2HB GLU 93 3HB GLU 93 -15.910 2.643 -0.280 642 1HG GLU 93 2HG GLU 93 -15.081 4.899 -0.677 643 2HG GLU 93 3HG GLU 93 -13.737 4.282 -1.647 644 H GLU 94 HN GLU 94 -12.359 1.336 2.254 645 HA GLU 94 HA GLU 94 -14.559 -0.247 3.451 646 1HB GLU 94 2HB GLU 94 -13.551 -1.960 2.327 647 2HB GLU 94 3HB GLU 94 -11.978 -1.170 2.230 648 1HG GLU 94 2HG GLU 94 -11.447 -1.600 4.436 649 2HG GLU 94 3HG GLU 94 -13.068 -2.235 4.820 650 H ILE 95 HN ILE 95 -11.310 1.350 3.841 651 HA ILE 95 HA ILE 95 -11.377 1.116 6.644 652 HB ILE 95 HB ILE 95 -9.557 2.681 6.677 653 1HG1 ILE 95 2HG1 ILE 95 -9.795 2.978 3.661 654 2HG1 ILE 95 3HG1 ILE 95 -10.499 4.161 4.778 655 1HG2 ILE 95 3HG2 ILE 95 -9.293 0.350 6.161 656 2HG2 ILE 95 1HG2 ILE 95 -9.286 0.666 4.417 657 3HG2 ILE 95 2HG2 ILE 95 -8.001 1.321 5.454 658 1HD1 ILE 95 HD3 ILE 95 -7.604 3.429 5.022 659 2HD1 ILE 95 HD1 ILE 95 -8.216 4.674 3.918 660 3HD1 ILE 95 HD2 ILE 95 -8.479 4.830 5.669 661 H VAL 96 HN VAL 96 -12.794 3.650 4.629 662 HA VAL 96 HA VAL 96 -13.195 5.420 6.931 663 HB VAL 96 HB VAL 96 -14.385 6.856 5.359 664 1HG1 VAL 96 1HG1 VAL 96 -11.890 6.996 5.617 665 2HG1 VAL 96 2HG1 VAL 96 -11.728 5.950 4.189 666 3HG1 VAL 96 3HG1 VAL 96 -12.473 7.544 4.038 667 1HG2 VAL 96 3HG2 VAL 96 -15.366 5.166 3.839 668 2HG2 VAL 96 1HG2 VAL 96 -14.431 6.376 2.948 669 3HG2 VAL 96 2HG2 VAL 96 -13.749 4.768 3.233 No H/Q in entry = 668 Start of MODEL 14 1 1H ALA 1 1HN ALA 1 16.327 -2.496 -0.532 2 2H ALA 1 2HN ALA 1 16.598 -3.490 -1.824 3 2H ALA 1 3HN ALA 1 16.598 -3.490 -1.824 4 HA ALA 1 HA ALA 1 17.627 -4.996 -0.037 5 1HB ALA 1 2HB ALA 1 17.091 -3.294 1.786 6 2HB ALA 1 3HB ALA 1 15.383 -3.751 1.572 7 3HB ALA 1 1HB ALA 1 16.559 -4.963 2.080 8 H THR 2 HN THR 2 14.384 -3.802 -0.885 9 HA THR 2 HA THR 2 13.316 -4.544 -2.788 10 HB THR 2 HB THR 2 15.816 -6.195 -3.209 11 HG1 THR 2 HG1 THR 2 15.550 -3.451 -3.799 12 1HG2 THR 2 3HG2 THR 2 13.937 -4.674 -5.071 13 2HG2 THR 2 1HG2 THR 2 15.490 -5.380 -5.547 14 3HG2 THR 2 2HG2 THR 2 14.180 -6.428 -4.981 15 H TYR 3 HN TYR 3 11.656 -5.494 -1.567 16 HA TYR 3 HA TYR 3 12.001 -8.343 -0.802 17 1HB TYR 3 2HB TYR 3 10.180 -6.156 0.262 18 2HB TYR 3 3HB TYR 3 10.301 -7.785 0.884 19 HD1 TYR 3 HD1 TYR 3 12.781 -8.547 1.608 20 HD2 TYR 3 HD2 TYR 3 11.468 -4.458 1.223 21 HE1 TYR 3 HE1 TYR 3 14.394 -7.858 3.358 22 HE2 TYR 3 HE2 TYR 3 12.992 -3.811 3.053 23 HH TYR 3 HOH TYR 3 13.844 -4.864 5.005 24 H ASN 4 HN ASN 4 10.083 -9.672 -0.709 25 HA ASN 4 HA ASN 4 8.544 -9.782 -3.126 26 1HB ASN 4 2HB ASN 4 9.449 -11.785 -2.038 27 2HB ASN 4 3HB ASN 4 8.714 -11.328 -0.501 28 1HD2 ASN 4 2HND ASN 4 5.843 -12.346 -3.254 29 2HD2 ASN 4 1HND ASN 4 6.795 -10.854 -3.392 30 H VAL 5 HN VAL 5 7.031 -8.119 -3.222 31 HA VAL 5 HA VAL 5 5.259 -7.782 -0.860 32 HB VAL 5 HB VAL 5 5.587 -5.892 -3.173 33 1HG1 VAL 5 1HG1 VAL 5 4.126 -5.738 -0.478 34 2HG1 VAL 5 2HG1 VAL 5 4.354 -4.366 -1.572 35 3HG1 VAL 5 3HG1 VAL 5 3.371 -5.748 -2.070 36 1HG2 VAL 5 3HG2 VAL 5 6.904 -6.097 -0.450 37 2HG2 VAL 5 1HG2 VAL 5 7.640 -5.782 -2.027 38 3HG2 VAL 5 2HG2 VAL 5 6.672 -4.521 -1.227 39 H LYS 6 HN LYS 6 3.312 -8.826 -1.017 40 HA LYS 6 HA LYS 6 2.168 -9.343 -3.715 41 1HB LYS 6 2HB LYS 6 2.166 -11.157 -2.138 42 2HB LYS 6 3HB LYS 6 1.321 -10.180 -0.964 43 1HG LYS 6 2HG LYS 6 -0.635 -9.922 -2.580 44 2HG LYS 6 3HG LYS 6 0.259 -10.859 -3.759 45 1HD LYS 6 2HD LYS 6 -0.809 -11.901 -1.077 46 2HD LYS 6 3HD LYS 6 -1.406 -12.213 -2.694 47 1HE LYS 6 2HE LYS 6 1.084 -12.895 -3.163 48 2HE LYS 6 3HE LYS 6 1.220 -13.113 -1.423 49 1HZ LYS 6 2HNZ LYS 6 -0.772 -14.344 -3.272 50 2HZ LYS 6 3HNZ LYS 6 0.669 -15.046 -2.869 51 3HZ LYS 6 1HNZ LYS 6 -0.518 -14.818 -1.716 52 H LEU 7 HN LEU 7 0.693 -8.077 -4.607 53 HA LEU 7 HA LEU 7 -1.026 -6.347 -2.859 54 1HB LEU 7 2HB LEU 7 -0.397 -6.202 -5.822 55 2HB LEU 7 3HB LEU 7 -1.378 -5.059 -4.933 56 HG LEU 7 HG LEU 7 1.596 -5.571 -4.638 57 1HD1 LEU 7 1HD1 LEU 7 0.018 -3.292 -5.846 58 2HD1 LEU 7 2HD1 LEU 7 1.729 -3.130 -5.383 59 3HD1 LEU 7 3HD1 LEU 7 1.257 -4.343 -6.572 60 1HD2 LEU 7 1HD2 LEU 7 -0.179 -3.677 -3.050 61 2HD2 LEU 7 2HD2 LEU 7 0.837 -5.022 -2.469 62 3HD2 LEU 7 3HD2 LEU 7 1.594 -3.574 -3.110 63 H ILE 8 HN ILE 8 -2.687 -7.592 -2.223 64 HA ILE 8 HA ILE 8 -4.005 -9.399 -4.140 65 HB ILE 8 HB ILE 8 -4.634 -8.469 -1.361 66 1HG1 ILE 8 2HG1 ILE 8 -4.038 -11.286 -2.202 67 2HG1 ILE 8 3HG1 ILE 8 -2.725 -10.149 -1.889 68 1HG2 ILE 8 2HG2 ILE 8 -6.155 -10.424 -3.143 69 2HG2 ILE 8 3HG2 ILE 8 -6.458 -10.191 -1.411 70 3HG2 ILE 8 1HG2 ILE 8 -6.770 -8.872 -2.537 71 1HD1 ILE 8 HD2 ILE 8 -4.873 -10.834 0.136 72 2HD1 ILE 8 HD3 ILE 8 -3.210 -11.449 0.106 73 3HD1 ILE 8 HD1 ILE 8 -3.500 -9.716 0.345 74 H THR 9 HN THR 9 -4.383 -8.129 -5.901 75 HA THR 9 HA THR 9 -6.016 -5.740 -5.659 76 HB THR 9 HB THR 9 -5.730 -5.747 -8.100 77 HG1 THR 9 HG1 THR 9 -5.315 -8.071 -8.379 78 1HG2 THR 9 3HG2 THR 9 -4.002 -4.633 -6.679 79 2HG2 THR 9 1HG2 THR 9 -3.125 -6.191 -6.556 80 3HG2 THR 9 2HG2 THR 9 -3.265 -5.366 -8.115 81 HA PRO 10 HA PRO 10 -9.916 -7.781 -6.300 82 1HB PRO 10 2HB PRO 10 -10.418 -5.907 -8.573 83 2HB PRO 10 3HB PRO 10 -11.422 -6.268 -7.128 84 1HG PRO 10 2HG PRO 10 -10.030 -4.019 -7.309 85 2HG PRO 10 3HG PRO 10 -10.111 -4.886 -5.757 86 1HD PRO 10 2HD PRO 10 -7.876 -4.797 -7.653 87 2HD PRO 10 3HD PRO 10 -7.862 -4.840 -5.920 88 H ASP 11 HN ASP 11 -8.057 -6.991 -9.203 89 HA ASP 11 HA ASP 11 -8.870 -8.580 -11.258 90 1HB ASP 11 2HB ASP 11 -6.074 -7.894 -10.211 91 2HB ASP 11 3HB ASP 11 -6.396 -8.493 -11.811 92 H GLY 12 HN GLY 12 -7.020 -9.390 -8.399 93 1HA GLY 12 2HA GLY 12 -7.291 -11.418 -7.422 94 2HA GLY 12 3HA GLY 12 -7.151 -12.314 -8.962 95 H GLU 13 HN GLU 13 -5.394 -9.939 -7.011 96 HA GLU 13 HA GLU 13 -3.347 -9.802 -6.090 97 1HB GLU 13 2HB GLU 13 -3.150 -12.667 -6.938 98 2HB GLU 13 3HB GLU 13 -1.848 -11.805 -6.146 99 1HG GLU 13 2HG GLU 13 -2.961 -11.459 -4.208 100 2HG GLU 13 3HG GLU 13 -4.564 -11.908 -4.867 101 H VAL 14 HN VAL 14 -1.277 -9.320 -6.429 102 HA VAL 14 HA VAL 14 0.150 -10.335 -8.710 103 HB VAL 14 HB VAL 14 -0.893 -8.578 -9.844 104 1HG1 VAL 14 1HG1 VAL 14 -1.580 -7.107 -8.023 105 2HG1 VAL 14 2HG1 VAL 14 0.099 -6.558 -7.854 106 3HG1 VAL 14 3HG1 VAL 14 -0.798 -6.235 -9.346 107 1HG2 VAL 14 3HG2 VAL 14 1.463 -9.019 -10.357 108 2HG2 VAL 14 1HG2 VAL 14 1.001 -7.340 -10.686 109 3HG2 VAL 14 2HG2 VAL 14 1.941 -7.733 -9.224 110 H GLU 15 HN GLU 15 1.748 -11.164 -7.539 111 HA GLU 15 HA GLU 15 3.159 -9.635 -5.502 112 1HB GLU 15 2HB GLU 15 3.599 -12.346 -6.814 113 2HB GLU 15 3HB GLU 15 4.855 -11.583 -5.821 114 1HG GLU 15 2HG GLU 15 3.320 -11.338 -3.965 115 2HG GLU 15 3HG GLU 15 2.018 -12.117 -4.916 116 H PHE 16 HN PHE 16 5.029 -8.636 -5.631 117 HA PHE 16 HA PHE 16 6.631 -8.610 -8.040 118 1HB PHE 16 2HB PHE 16 6.405 -6.489 -8.746 119 2HB PHE 16 3HB PHE 16 4.764 -7.067 -8.621 120 HD1 PHE 16 HD1 PHE 16 3.780 -6.596 -6.037 121 HD2 PHE 16 HD2 PHE 16 6.960 -4.383 -7.958 122 HE1 PHE 16 HE1 PHE 16 3.677 -4.885 -4.339 123 HE2 PHE 16 HE2 PHE 16 6.593 -2.554 -6.436 124 HZ PHE 16 HZ PHE 16 4.861 -2.676 -4.674 125 H LYS 17 HN LYS 17 8.618 -7.243 -7.775 126 HA LYS 17 HA LYS 17 9.490 -7.374 -4.991 127 1HB LYS 17 2HB LYS 17 10.798 -7.735 -7.463 128 2HB LYS 17 3HB LYS 17 11.376 -6.173 -6.912 129 1HG LYS 17 2HG LYS 17 12.833 -7.924 -6.137 130 2HG LYS 17 3HG LYS 17 12.025 -7.170 -4.732 131 1HD LYS 17 2HD LYS 17 10.694 -9.068 -4.319 132 2HD LYS 17 3HD LYS 17 10.681 -9.471 -6.027 133 1HE LYS 17 2HE LYS 17 11.937 -11.202 -4.883 134 2HE LYS 17 3HE LYS 17 13.107 -10.237 -5.787 135 1HZ LYS 17 2HNZ LYS 17 13.476 -9.015 -3.609 136 2HZ LYS 17 3HNZ LYS 17 12.547 -10.138 -2.892 137 3HZ LYS 17 1HNZ LYS 17 13.946 -10.592 -3.618 138 H CYS 18 HN CYS 18 9.530 -5.614 -3.668 139 HA CYS 18 HA CYS 18 9.602 -2.895 -4.972 140 1HB CYS 18 2HB CYS 18 7.355 -3.413 -4.005 141 2HB CYS 18 3HB CYS 18 8.198 -3.514 -2.448 142 HG CYS 18 HSG CYS 18 7.938 -1.067 -4.669 143 H ASP 19 HN ASP 19 11.326 -1.714 -4.456 144 HA ASP 19 HA ASP 19 13.200 -2.515 -2.412 145 1HB ASP 19 2HB ASP 19 13.021 0.101 -3.907 146 2HB ASP 19 3HB ASP 19 14.406 -0.543 -3.028 147 H ASP 20 HN ASP 20 13.501 -1.759 -0.461 148 HA ASP 20 HA ASP 20 11.553 -0.463 1.183 149 1HB ASP 20 2HB ASP 20 13.615 -0.180 2.655 150 2HB ASP 20 3HB ASP 20 13.209 -1.828 2.194 151 H ASP 21 HN ASP 21 14.046 0.665 -0.944 152 HA ASP 21 HA ASP 21 14.066 3.429 0.012 153 1HB ASP 21 2HB ASP 21 15.431 1.852 -2.186 154 2HB ASP 21 3HB ASP 21 15.320 3.601 -2.359 155 H VAL 22 HN VAL 22 11.786 1.694 -1.897 156 HA VAL 22 HA VAL 22 11.056 4.160 -3.402 157 HB VAL 22 HB VAL 22 12.447 2.216 -4.572 158 1HG1 VAL 22 1HG1 VAL 22 10.637 0.456 -3.918 159 2HG1 VAL 22 2HG1 VAL 22 9.646 1.205 -5.173 160 3HG1 VAL 22 3HG1 VAL 22 11.236 0.501 -5.564 161 1HG2 VAL 22 1HG2 VAL 22 10.052 3.611 -5.680 162 2HG2 VAL 22 2HG2 VAL 22 11.725 4.190 -5.686 163 3HG2 VAL 22 3HG2 VAL 22 11.264 2.785 -6.688 164 H TYR 23 HN TYR 23 8.683 4.311 -3.948 165 HA TYR 23 HA TYR 23 7.350 3.219 -1.625 166 1HB TYR 23 2HB TYR 23 6.227 4.865 -3.894 167 2HB TYR 23 3HB TYR 23 5.398 4.444 -2.409 168 HD1 TYR 23 HD2 TYR 23 6.903 4.998 -0.165 169 HD2 TYR 23 HD1 TYR 23 7.018 7.095 -3.932 170 HE1 TYR 23 HE2 TYR 23 7.299 7.124 1.028 171 HE2 TYR 23 HE1 TYR 23 7.634 9.175 -2.739 172 HH TYR 23 HOH TYR 23 7.684 9.424 0.835 173 H VAL 24 HN VAL 24 5.564 1.773 -1.664 174 HA VAL 24 HA VAL 24 5.722 -0.474 -3.358 175 HB VAL 24 HB VAL 24 3.183 0.478 -1.982 176 1HG1 VAL 24 3HG1 VAL 24 2.989 -1.495 -3.574 177 2HG1 VAL 24 1HG1 VAL 24 4.276 -2.289 -2.622 178 3HG1 VAL 24 2HG1 VAL 24 2.713 -1.926 -1.873 179 1HG2 VAL 24 3HG2 VAL 24 5.539 -1.178 -0.948 180 2HG2 VAL 24 1HG2 VAL 24 4.981 0.359 -0.282 181 3HG2 VAL 24 2HG2 VAL 24 3.966 -1.062 -0.133 182 H LEU 25 HN LEU 25 3.811 2.506 -3.911 183 HA LEU 25 HA LEU 25 2.580 1.433 -6.243 184 1HB LEU 25 2HB LEU 25 1.335 3.172 -6.311 185 2HB LEU 25 3HB LEU 25 1.949 3.477 -4.710 186 HG LEU 25 HG LEU 25 1.705 5.473 -5.926 187 1HD1 LEU 25 3HD1 LEU 25 3.602 5.416 -4.371 188 2HD1 LEU 25 1HD1 LEU 25 4.688 4.992 -5.708 189 3HD1 LEU 25 2HD1 LEU 25 3.854 6.547 -5.713 190 1HD2 LEU 25 1HD2 LEU 25 2.007 4.447 -8.251 191 2HD2 LEU 25 2HD2 LEU 25 2.568 6.102 -7.977 192 3HD2 LEU 25 3HD2 LEU 25 3.738 4.791 -8.050 193 H ASP 26 HN ASP 26 5.781 2.889 -5.802 194 HA ASP 26 HA ASP 26 6.093 3.930 -8.442 195 1HB ASP 26 2HB ASP 26 8.091 3.017 -6.331 196 2HB ASP 26 3HB ASP 26 8.532 3.843 -7.823 197 H GLN 27 HN GLN 27 7.688 1.111 -6.929 198 HA GLN 27 HA GLN 27 8.574 -0.025 -9.378 199 1HB GLN 27 2HB GLN 27 8.281 -1.042 -6.577 200 2HB GLN 27 3HB GLN 27 8.473 -2.246 -7.866 201 1HG GLN 27 2HG GLN 27 10.349 0.081 -7.484 202 2HG GLN 27 3HG GLN 27 10.616 -1.528 -6.772 203 1HE2 GLN 27 2HNE GLN 27 11.834 -0.826 -10.510 204 2HE2 GLN 27 1HNE GLN 27 11.504 0.374 -9.267 205 H ALA 28 HN ALA 28 5.485 -0.384 -7.609 206 HA ALA 28 HA ALA 28 4.386 -2.440 -9.167 207 1HB ALA 28 1HB ALA 28 3.354 -0.195 -7.545 208 2HB ALA 28 2HB ALA 28 2.257 -0.687 -8.800 209 3HB ALA 28 3HB ALA 28 2.830 -1.890 -7.611 210 H GLU 29 HN GLU 29 4.146 1.117 -9.861 211 HA GLU 29 HA GLU 29 3.021 0.664 -12.427 212 1HB GLU 29 2HB GLU 29 4.583 3.059 -11.368 213 2HB GLU 29 3HB GLU 29 3.781 2.993 -12.952 214 1HG GLU 29 2HG GLU 29 1.657 2.281 -11.761 215 2HG GLU 29 3HG GLU 29 2.448 2.675 -10.236 216 H GLU 30 HN GLU 30 6.478 0.822 -11.429 217 HA GLU 30 HA GLU 30 7.602 0.588 -14.013 218 1HB GLU 30 2HB GLU 30 8.622 -0.723 -11.490 219 2HB GLU 30 3HB GLU 30 9.510 -0.541 -12.985 220 1HG GLU 30 2HG GLU 30 8.398 1.961 -11.674 221 2HG GLU 30 3HG GLU 30 9.874 1.208 -11.067 222 H GLU 31 HN GLU 31 6.101 -1.967 -12.029 223 HA GLU 31 HA GLU 31 6.805 -4.020 -14.008 224 1HB GLU 31 2HB GLU 31 4.843 -4.126 -11.702 225 2HB GLU 31 3HB GLU 31 5.555 -5.499 -12.556 226 1HG GLU 31 2HG GLU 31 7.630 -3.636 -11.595 227 2HG GLU 31 3HG GLU 31 6.541 -4.020 -10.322 228 H GLY 32 HN GLY 32 4.185 -1.888 -13.314 229 1HA GLY 32 2HA GLY 32 2.738 -1.168 -15.163 230 2HA GLY 32 3HA GLY 32 2.566 -2.856 -15.667 231 H ILE 33 HN ILE 33 2.611 -2.363 -12.226 232 HA ILE 33 HA ILE 33 -0.161 -3.203 -11.990 233 HB ILE 33 HB ILE 33 1.877 -2.344 -9.956 234 1HG1 ILE 33 2HG1 ILE 33 0.987 -5.038 -10.902 235 2HG1 ILE 33 3HG1 ILE 33 2.556 -4.263 -11.224 236 1HG2 ILE 33 2HG2 ILE 33 -0.486 -2.081 -9.109 237 2HG2 ILE 33 3HG2 ILE 33 -0.782 -3.780 -9.528 238 3HG2 ILE 33 1HG2 ILE 33 0.398 -3.339 -8.280 239 1HD1 ILE 33 HD3 ILE 33 3.018 -4.163 -8.754 240 2HD1 ILE 33 HD1 ILE 33 1.668 -5.282 -8.545 241 3HD1 ILE 33 HD2 ILE 33 3.065 -5.753 -9.520 242 H ASP 34 HN ASP 34 -1.685 -1.859 -12.358 243 HA ASP 34 HA ASP 34 -1.584 1.056 -11.886 244 1HB ASP 34 2HB ASP 34 -2.679 -0.043 -13.889 245 2HB ASP 34 3HB ASP 34 -3.901 -0.701 -12.780 246 H ILE 35 HN ILE 35 -1.560 1.421 -9.610 247 HA ILE 35 HA ILE 35 -3.572 0.007 -8.001 248 HB ILE 35 HB ILE 35 -1.046 1.103 -7.485 249 1HG1 ILE 35 2HG1 ILE 35 -2.711 -0.472 -5.603 250 2HG1 ILE 35 3HG1 ILE 35 -1.779 -1.098 -6.980 251 1HG2 ILE 35 3HG2 ILE 35 -2.380 3.135 -6.543 252 2HG2 ILE 35 1HG2 ILE 35 -2.701 2.051 -5.191 253 3HG2 ILE 35 2HG2 ILE 35 -1.047 2.428 -5.657 254 1HD1 ILE 35 HD2 ILE 35 -0.559 0.451 -4.644 255 2HD1 ILE 35 HD3 ILE 35 -0.526 -1.297 -4.839 256 3HD1 ILE 35 HD1 ILE 35 0.311 -0.270 -6.015 257 HA PRO 36 HA PRO 36 -6.485 3.187 -8.309 258 1HB PRO 36 2HB PRO 36 -7.837 3.124 -5.911 259 2HB PRO 36 3HB PRO 36 -7.895 1.845 -7.158 260 1HG PRO 36 2HG PRO 36 -6.301 1.828 -4.604 261 2HG PRO 36 3HG PRO 36 -7.183 0.536 -5.417 262 1HD PRO 36 2HD PRO 36 -4.468 0.968 -5.572 263 2HD PRO 36 3HD PRO 36 -5.313 0.082 -6.819 264 H TYR 37 HN TYR 37 -5.107 5.004 -8.559 265 HA TYR 37 HA TYR 37 -4.235 6.562 -6.262 266 1HB TYR 37 2HB TYR 37 -4.401 7.531 -9.125 267 2HB TYR 37 3HB TYR 37 -3.304 8.067 -7.855 268 HD1 TYR 37 HD1 TYR 37 -1.794 6.023 -6.841 269 HD2 TYR 37 HD2 TYR 37 -3.570 6.124 -10.777 270 HE1 TYR 37 HE1 TYR 37 -0.347 4.145 -7.562 271 HE2 TYR 37 HE2 TYR 37 -2.127 4.247 -11.471 272 HH TYR 37 HOH TYR 37 0.034 3.265 -10.737 273 H SER 38 HN SER 38 -5.033 8.505 -5.550 274 HA SER 38 HA SER 38 -7.408 9.719 -6.919 275 1HB SER 38 2HB SER 38 -6.999 10.253 -4.002 276 2HB SER 38 3HB SER 38 -8.483 10.090 -4.954 277 HG SER 38 HOG SER 38 -6.824 8.068 -3.878 278 H CYS 39 HN CYS 39 -4.403 10.184 -5.185 279 HA CYS 39 HA CYS 39 -4.189 13.030 -5.893 280 1HB CYS 39 2HB CYS 39 -4.597 13.804 -3.912 281 2HB CYS 39 3HB CYS 39 -5.378 12.285 -3.511 282 H ARG 40 HN ARG 40 -2.733 10.156 -4.516 283 HA ARG 40 HA ARG 40 -0.861 9.754 -3.590 284 1HB ARG 40 2HB ARG 40 0.593 8.680 -4.864 285 2HB ARG 40 3HB ARG 40 -0.923 8.604 -5.732 286 1HG ARG 40 2HG ARG 40 1.529 10.279 -6.464 287 2HG ARG 40 3HG ARG 40 1.050 8.730 -7.139 288 1HD ARG 40 2HD ARG 40 0.308 10.189 -8.797 289 2HD ARG 40 3HD ARG 40 -1.143 9.824 -7.874 290 HE ARG 40 HNE ARG 40 -1.221 11.982 -7.042 291 1HH1 ARG 40 2HN2 ARG 40 1.894 11.613 -8.604 292 2HH1 ARG 40 1HN2 ARG 40 2.393 13.252 -8.295 293 1HH2 ARG 40 2HN1 ARG 40 -0.556 13.891 -6.420 294 2HH2 ARG 40 1HN1 ARG 40 0.868 14.688 -7.056 295 H ALA 41 HN ALA 41 -0.026 10.907 -2.091 296 HA ALA 41 HA ALA 41 2.323 12.514 -2.557 297 1HB ALA 41 1HB ALA 41 -0.219 13.947 -1.665 298 2HB ALA 41 2HB ALA 41 1.419 14.634 -1.647 299 3HB ALA 41 3HB ALA 41 0.654 14.212 -3.189 300 H GLY 42 HN GLY 42 -0.329 11.702 -0.265 301 1HA GLY 42 2HA GLY 42 0.033 10.623 1.810 302 2HA GLY 42 3HA GLY 42 1.640 11.335 1.941 303 H SER 43 HN SER 43 -1.707 12.473 1.413 304 HA SER 43 HA SER 43 -2.285 13.602 3.844 305 1HB SER 43 2HB SER 43 -0.869 15.615 2.086 306 2HB SER 43 3HB SER 43 -2.195 16.112 3.145 307 HG SER 43 HOG SER 43 0.053 14.687 4.074 308 H CYS 44 HN CYS 44 -4.226 12.555 3.118 309 HA CYS 44 HA CYS 44 -5.994 14.213 1.535 310 1HB CYS 44 2HB CYS 44 -6.483 12.664 -0.192 311 2HB CYS 44 3HB CYS 44 -4.760 12.956 -0.144 312 H SER 45 HN SER 45 -7.956 12.124 1.161 313 HA SER 45 HA SER 45 -8.531 11.123 3.867 314 1HB SER 45 2HB SER 45 -9.446 13.517 3.692 315 2HB SER 45 3HB SER 45 -10.598 12.874 2.504 316 HG SER 45 HOG SER 45 -10.221 11.771 5.104 317 H SER 46 HN SER 46 -7.636 9.748 1.787 318 HA SER 46 HA SER 46 -9.788 8.117 0.741 319 1HB SER 46 2HB SER 46 -8.268 8.982 -1.539 320 2HB SER 46 3HB SER 46 -9.988 9.220 -1.227 321 HG SER 46 HOG SER 46 -8.689 11.156 -1.605 322 H CYS 47 HN CYS 47 -8.529 6.653 -0.948 323 HA CYS 47 HA CYS 47 -7.141 5.044 -1.333 324 1HB CYS 47 2HB CYS 47 -5.143 5.674 -2.034 325 2HB CYS 47 3HB CYS 47 -5.892 7.231 -1.755 326 H ALA 48 HN ALA 48 -6.428 3.159 -0.576 327 HA ALA 48 HA ALA 48 -4.541 2.914 1.379 328 1HB ALA 48 2HB ALA 48 -7.341 2.624 2.489 329 2HB ALA 48 3HB ALA 48 -6.057 1.591 3.141 330 3HB ALA 48 1HB ALA 48 -5.878 3.332 3.230 331 H GLY 49 HN GLY 49 -4.250 0.690 2.142 332 1HA GLY 49 2HA GLY 49 -5.620 -1.375 0.643 333 2HA GLY 49 3HA GLY 49 -3.843 -1.427 0.674 334 H LYS 50 HN LYS 50 -5.291 -3.484 1.805 335 HA LYS 50 HA LYS 50 -5.350 -3.053 4.661 336 1HB LYS 50 2HB LYS 50 -7.068 -4.251 3.024 337 2HB LYS 50 3HB LYS 50 -6.119 -5.681 3.378 338 1HG LYS 50 2HG LYS 50 -6.693 -5.637 5.686 339 2HG LYS 50 3HG LYS 50 -7.136 -3.926 5.622 340 1HD LYS 50 2HD LYS 50 -8.945 -4.525 3.963 341 2HD LYS 50 3HD LYS 50 -8.680 -6.229 4.364 342 1HE LYS 50 2HE LYS 50 -9.356 -5.850 6.677 343 2HE LYS 50 3HE LYS 50 -9.204 -4.126 6.517 344 1HZ LYS 50 1HNZ LYS 50 -11.014 -4.102 4.875 345 2HZ LYS 50 2HNZ LYS 50 -11.317 -5.667 5.161 346 3HZ LYS 50 3HNZ LYS 50 -11.493 -4.542 6.366 347 H VAL 51 HN VAL 51 -3.450 -3.553 5.781 348 HA VAL 51 HA VAL 51 -1.266 -5.105 4.611 349 HB VAL 51 HB VAL 51 -1.827 -3.992 7.405 350 1HG1 VAL 51 3HG1 VAL 51 0.696 -5.392 6.428 351 2HG1 VAL 51 1HG1 VAL 51 0.544 -4.491 7.950 352 3HG1 VAL 51 2HG1 VAL 51 -0.393 -5.971 7.712 353 1HG2 VAL 51 1HG2 VAL 51 -0.928 -2.698 5.122 354 2HG2 VAL 51 2HG2 VAL 51 -0.667 -2.125 6.802 355 3HG2 VAL 51 3HG2 VAL 51 0.579 -3.051 5.948 356 H VAL 52 HN VAL 52 -1.520 -7.233 4.328 357 HA VAL 52 HA VAL 52 -3.294 -8.819 6.094 358 HB VAL 52 HB VAL 52 -1.563 -9.529 3.728 359 1HG1 VAL 52 1HG1 VAL 52 -3.667 -11.202 5.171 360 2HG1 VAL 52 2HG1 VAL 52 -2.888 -11.644 3.637 361 3HG1 VAL 52 3HG1 VAL 52 -1.922 -11.543 5.110 362 1HG2 VAL 52 3HG2 VAL 52 -4.532 -8.941 3.989 363 2HG2 VAL 52 1HG2 VAL 52 -3.317 -8.112 2.985 364 3HG2 VAL 52 2HG2 VAL 52 -3.827 -9.757 2.585 365 H SER 53 HN SER 53 0.208 -8.398 5.375 366 HA SER 53 HA SER 53 0.891 -9.476 7.985 367 1HB SER 53 2HB SER 53 0.578 -11.569 6.551 368 2HB SER 53 3HB SER 53 1.914 -10.987 5.539 369 HG SER 53 HOG SER 53 1.947 -11.738 8.277 370 H GLY 54 HN GLY 54 3.570 -9.935 7.525 371 1HA GLY 54 2HA GLY 54 5.584 -8.776 7.452 372 2HA GLY 54 3HA GLY 54 4.959 -7.988 6.004 373 H SER 55 HN SER 55 6.117 -6.048 6.695 374 HA SER 55 HA SER 55 4.285 -4.284 8.099 375 1HB SER 55 2HB SER 55 7.255 -4.231 8.758 376 2HB SER 55 3HB SER 55 5.983 -3.233 9.449 377 HG SER 55 HOG SER 55 6.031 -6.054 9.736 378 H ILE 56 HN ILE 56 4.702 -2.060 7.346 379 HA ILE 56 HA ILE 56 6.858 -1.594 5.466 380 HB ILE 56 HB ILE 56 5.426 -0.408 3.937 381 1HG1 ILE 56 2HG1 ILE 56 3.046 -1.383 5.533 382 2HG1 ILE 56 3HG1 ILE 56 3.600 0.286 5.402 383 1HG2 ILE 56 3HG2 ILE 56 5.757 -3.019 3.815 384 2HG2 ILE 56 1HG2 ILE 56 4.014 -3.048 4.119 385 3HG2 ILE 56 2HG2 ILE 56 4.651 -2.230 2.682 386 1HD1 ILE 56 HD2 ILE 56 3.401 -0.220 2.759 387 2HD1 ILE 56 HD3 ILE 56 2.247 -1.431 3.327 388 3HD1 ILE 56 HD1 ILE 56 2.006 0.291 3.703 389 H ASP 57 HN ASP 57 7.019 0.876 5.250 390 HA ASP 57 HA ASP 57 6.170 2.221 7.785 391 1HB ASP 57 2HB ASP 57 8.613 2.092 7.632 392 2HB ASP 57 3HB ASP 57 8.568 2.765 5.991 393 H GLN 58 HN GLN 58 4.378 3.365 7.292 394 HA GLN 58 HA GLN 58 4.366 5.002 4.791 395 1HB GLN 58 2HB GLN 58 1.902 5.105 5.259 396 2HB GLN 58 3HB GLN 58 2.489 3.514 4.778 397 1HG GLN 58 2HG GLN 58 2.372 2.677 6.986 398 2HG GLN 58 3HG GLN 58 2.274 4.295 7.696 399 1HE2 GLN 58 2HNE GLN 58 -1.038 2.696 7.893 400 2HE2 GLN 58 1HNE GLN 58 0.585 2.327 8.422 401 H SER 59 HN SER 59 6.146 5.850 6.692 402 HA SER 59 HA SER 59 5.171 7.668 8.616 403 1HB SER 59 2HB SER 59 7.261 8.994 7.949 404 2HB SER 59 3HB SER 59 7.521 7.305 8.443 405 HG SER 59 HOG SER 59 7.847 6.702 6.407 406 H ASP 60 HN ASP 60 5.560 8.013 5.133 407 HA ASP 60 HA ASP 60 4.405 10.703 4.967 408 1HB ASP 60 2HB ASP 60 5.172 8.625 2.893 409 2HB ASP 60 3HB ASP 60 4.619 10.264 2.490 410 H GLN 61 HN GLN 61 2.568 8.959 6.277 411 HA GLN 61 HA GLN 61 0.746 7.893 4.316 412 1HB GLN 61 2HB GLN 61 -0.759 7.374 6.155 413 2HB GLN 61 3HB GLN 61 0.857 6.744 6.342 414 1HG GLN 61 2HG GLN 61 1.336 8.809 7.859 415 2HG GLN 61 3HG GLN 61 -0.416 9.067 7.838 416 1HE2 GLN 61 2HNE GLN 61 -0.718 5.584 9.331 417 2HE2 GLN 61 1HNE GLN 61 -1.285 6.342 7.862 418 H SER 62 HN SER 62 -1.516 8.341 4.058 419 HA SER 62 HA SER 62 -2.058 11.004 3.434 420 1HB SER 62 2HB SER 62 -4.071 8.716 3.742 421 2HB SER 62 3HB SER 62 -4.210 10.192 2.776 422 HG SER 62 HOG SER 62 -3.514 8.507 1.487 423 H PHE 63 HN PHE 63 -4.021 9.055 5.679 424 HA PHE 63 HA PHE 63 -3.911 11.077 7.802 425 1HB PHE 63 2HB PHE 63 -6.219 11.627 7.735 426 2HB PHE 63 3HB PHE 63 -5.616 11.921 6.118 427 HD1 PHE 63 HD1 PHE 63 -5.996 9.908 4.370 428 HD2 PHE 63 HD2 PHE 63 -8.135 10.289 8.097 429 HE1 PHE 63 HE1 PHE 63 -7.408 7.968 3.774 430 HE2 PHE 63 HE2 PHE 63 -9.713 8.556 7.360 431 HZ PHE 63 HZ PHE 63 -9.351 7.378 5.201 432 H LEU 64 HN LEU 64 -3.657 7.844 7.163 433 HA LEU 64 HA LEU 64 -5.999 6.829 8.223 434 1HB LEU 64 2HB LEU 64 -3.232 5.570 8.029 435 2HB LEU 64 3HB LEU 64 -4.621 4.753 8.703 436 HG LEU 64 HG LEU 64 -5.871 5.204 6.511 437 1HD1 LEU 64 1HD1 LEU 64 -3.001 5.710 5.578 438 2HD1 LEU 64 2HD1 LEU 64 -4.365 5.328 4.506 439 3HD1 LEU 64 3HD1 LEU 64 -4.380 6.829 5.432 440 1HD2 LEU 64 1HD2 LEU 64 -3.453 3.393 6.763 441 2HD2 LEU 64 2HD2 LEU 64 -5.107 3.060 7.308 442 3HD2 LEU 64 3HD2 LEU 64 -4.764 3.164 5.565 443 H ASP 65 HN ASP 65 -6.604 6.140 10.238 444 HA ASP 65 HA ASP 65 -5.080 7.350 12.469 445 1HB ASP 65 2HB ASP 65 -7.793 5.992 12.387 446 2HB ASP 65 3HB ASP 65 -7.044 6.663 13.847 447 H ASP 66 HN ASP 66 -4.868 6.070 14.480 448 HA ASP 66 HA ASP 66 -3.177 3.806 14.144 449 1HB ASP 66 2HB ASP 66 -4.742 4.805 16.566 450 2HB ASP 66 3HB ASP 66 -3.529 3.517 16.602 451 H GLU 67 HN GLU 67 -6.640 4.183 14.803 452 HA GLU 67 HA GLU 67 -7.344 1.540 15.283 453 1HB GLU 67 2HB GLU 67 -9.215 3.189 13.562 454 2HB GLU 67 3HB GLU 67 -9.514 2.231 15.006 455 1HG GLU 67 2HG GLU 67 -8.225 4.101 16.245 456 2HG GLU 67 3HG GLU 67 -8.461 5.040 14.754 457 H GLN 68 HN GLN 68 -7.588 3.246 12.094 458 HA GLN 68 HA GLN 68 -8.054 1.056 10.506 459 1HB GLN 68 2HB GLN 68 -6.510 3.577 9.900 460 2HB GLN 68 3HB GLN 68 -7.101 2.443 8.681 461 1HG GLN 68 2HG GLN 68 -9.388 2.722 9.310 462 2HG GLN 68 3HG GLN 68 -8.955 3.710 10.714 463 1HE2 GLN 68 2HNE GLN 68 -9.986 5.910 7.932 464 2HE2 GLN 68 1HNE GLN 68 -10.734 4.484 8.630 465 H MET 69 HN MET 69 -4.770 2.405 11.341 466 HA MET 69 HA MET 69 -3.240 0.521 9.919 467 1HB MET 69 2HB MET 69 -2.614 1.915 12.531 468 2HB MET 69 3HB MET 69 -1.489 0.989 11.534 469 1HG MET 69 2HG MET 69 -2.088 2.503 9.579 470 2HG MET 69 3HG MET 69 -3.025 3.451 10.692 471 1HE MET 69 HE1 MET 69 -2.115 5.571 10.872 472 2HE MET 69 HE2 MET 69 -2.016 4.985 12.550 473 3HE MET 69 HE3 MET 69 -0.689 5.964 11.872 474 H ASP 70 HN ASP 70 -4.205 0.296 13.374 475 HA ASP 70 HA ASP 70 -3.111 -2.259 13.904 476 1HB ASP 70 2HB ASP 70 -3.907 -0.564 15.607 477 2HB ASP 70 3HB ASP 70 -5.566 -0.926 15.144 478 H ALA 71 HN ALA 71 -6.258 -1.210 12.804 479 HA ALA 71 HA ALA 71 -7.680 -3.682 12.860 480 1HB ALA 71 1HB ALA 71 -8.067 -1.171 11.189 481 2HB ALA 71 2HB ALA 71 -9.272 -2.467 11.364 482 3HB ALA 71 3HB ALA 71 -8.792 -1.498 12.775 483 H GLY 72 HN GLY 72 -5.303 -2.404 10.633 484 1HA GLY 72 2HA GLY 72 -4.185 -4.283 9.485 485 2HA GLY 72 3HA GLY 72 -5.732 -4.779 8.852 486 H TYR 73 HN TYR 73 -4.939 -1.280 8.955 487 HA TYR 73 HA TYR 73 -4.901 -1.407 5.964 488 1HB TYR 73 2HB TYR 73 -6.046 0.675 7.783 489 2HB TYR 73 3HB TYR 73 -6.000 0.730 6.028 490 HD1 TYR 73 HD2 TYR 73 -6.995 -1.241 4.696 491 HD2 TYR 73 HD1 TYR 73 -7.997 -0.334 8.784 492 HE1 TYR 73 HE2 TYR 73 -9.239 -2.151 4.353 493 HE2 TYR 73 HE1 TYR 73 -10.284 -1.128 8.412 494 HH TYR 73 HOH TYR 73 -11.876 -1.425 6.349 495 H VAL 74 HN VAL 74 -4.007 0.435 4.794 496 HA VAL 74 HA VAL 74 -1.807 1.947 5.985 497 HB VAL 74 HB VAL 74 -1.509 -0.709 5.225 498 1HG1 VAL 74 2HG1 VAL 74 -1.656 -0.200 2.829 499 2HG1 VAL 74 3HG1 VAL 74 -0.186 0.798 3.001 500 3HG1 VAL 74 1HG1 VAL 74 -0.134 -0.937 3.332 501 1HG2 VAL 74 1HG2 VAL 74 -0.066 0.474 6.763 502 2HG2 VAL 74 2HG2 VAL 74 0.845 -0.442 5.575 503 3HG2 VAL 74 3HG2 VAL 74 0.709 1.322 5.393 504 H LEU 75 HN LEU 75 -1.134 3.686 4.448 505 HA LEU 75 HA LEU 75 -3.103 4.219 2.394 506 1HB LEU 75 2HB LEU 75 -2.346 6.238 2.318 507 2HB LEU 75 3HB LEU 75 -1.354 5.855 3.720 508 HG LEU 75 HG LEU 75 -0.424 5.565 0.844 509 1HD1 LEU 75 3HD1 LEU 75 -0.228 8.034 2.484 510 2HD1 LEU 75 1HD1 LEU 75 0.835 7.663 1.128 511 3HD1 LEU 75 2HD1 LEU 75 -0.916 7.769 0.896 512 1HD2 LEU 75 2HD2 LEU 75 0.772 4.427 2.947 513 2HD2 LEU 75 3HD2 LEU 75 1.680 5.203 1.643 514 3HD2 LEU 75 1HD2 LEU 75 1.416 6.065 3.168 515 H THR 76 HN THR 76 -2.733 4.185 -0.001 516 HA THR 76 HA THR 76 -0.873 1.929 -0.719 517 HB THR 76 HB THR 76 -3.205 1.353 -0.891 518 HG1 THR 76 HG1 THR 76 -1.802 1.668 -3.302 519 1HG2 THR 76 2HG2 THR 76 -4.180 3.594 -1.414 520 2HG2 THR 76 3HG2 THR 76 -3.441 3.536 -3.019 521 3HG2 THR 76 1HG2 THR 76 -4.677 2.348 -2.570 522 H CYS 77 HN CYS 77 0.123 4.509 -0.520 523 HA CYS 77 HA CYS 77 0.876 5.228 -3.304 524 1HB CYS 77 2HB CYS 77 -0.227 7.028 -1.152 525 2HB CYS 77 3HB CYS 77 0.700 7.647 -2.521 526 H HIS 78 HN HIS 78 1.803 7.279 -0.692 527 HA HIS 78 HA HIS 78 4.556 6.563 -1.036 528 1HB HIS 78 2HB HIS 78 3.138 8.558 0.757 529 2HB HIS 78 3HB HIS 78 4.882 8.295 0.773 530 HD1 HIS 78 HND HIS 78 5.585 10.594 -0.009 531 HD2 HIS 78 HD HIS 78 3.082 8.484 -2.656 532 HE1 HIS 78 HE HIS 78 5.599 11.876 -2.215 533 H ALA 79 HN ALA 79 4.077 4.221 -0.293 534 HA ALA 79 HA ALA 79 4.810 3.995 2.625 535 1HB ALA 79 2HB ALA 79 2.501 3.078 2.010 536 2HB ALA 79 3HB ALA 79 3.346 1.879 1.015 537 3HB ALA 79 1HB ALA 79 3.648 1.972 2.770 538 H TYR 80 HN TYR 80 6.637 2.837 3.052 539 HA TYR 80 HA TYR 80 8.285 1.790 0.766 540 1HB TYR 80 2HB TYR 80 8.919 2.830 3.560 541 2HB TYR 80 3HB TYR 80 10.087 2.083 2.485 542 HD1 TYR 80 HD1 TYR 80 10.028 3.157 -0.025 543 HD2 TYR 80 HD2 TYR 80 9.092 5.181 3.658 544 HE1 TYR 80 HE1 TYR 80 10.592 5.327 -1.078 545 HE2 TYR 80 HE2 TYR 80 9.772 7.330 2.647 546 HH TYR 80 HOH TYR 80 10.343 8.413 0.690 547 HA PRO 81 HA PRO 81 7.432 -2.115 2.807 548 1HB PRO 81 2HB PRO 81 8.926 -3.688 1.003 549 2HB PRO 81 3HB PRO 81 7.195 -3.269 0.890 550 1HG PRO 81 2HG PRO 81 9.470 -2.212 -0.685 551 2HG PRO 81 3HG PRO 81 7.710 -2.088 -0.974 552 1HD PRO 81 2HD PRO 81 9.353 -0.019 -0.088 553 2HD PRO 81 3HD PRO 81 7.581 -0.061 -0.205 554 H THR 82 HN THR 82 8.507 -2.486 4.762 555 HA THR 82 HA THR 82 11.389 -2.021 4.918 556 HB THR 82 HB THR 82 10.838 -2.569 7.371 557 HG1 THR 82 HG1 THR 82 8.776 -3.644 6.725 558 1HG2 THR 82 2HG2 THR 82 9.318 -0.292 6.003 559 2HG2 THR 82 3HG2 THR 82 9.735 -0.381 7.724 560 3HG2 THR 82 1HG2 THR 82 11.019 -0.243 6.508 561 H SER 83 HN SER 83 9.288 -4.703 4.302 562 HA SER 83 HA SER 83 11.435 -6.574 4.298 563 1HB SER 83 2HB SER 83 9.104 -7.047 6.214 564 2HB SER 83 3HB SER 83 10.456 -8.158 5.924 565 HG SER 83 HOG SER 83 11.634 -5.971 6.602 566 H ASP 84 HN ASP 84 10.106 -8.908 3.909 567 HA ASP 84 HA ASP 84 8.442 -8.619 1.573 568 1HB ASP 84 2HB ASP 84 7.966 -11.025 2.082 569 2HB ASP 84 3HB ASP 84 9.686 -10.669 1.894 570 H VAL 85 HN VAL 85 6.263 -8.659 1.474 571 HA VAL 85 HA VAL 85 4.647 -8.539 3.904 572 HB VAL 85 HB VAL 85 5.725 -6.477 4.193 573 1HG1 VAL 85 1HG1 VAL 85 6.462 -6.219 1.709 574 2HG1 VAL 85 2HG1 VAL 85 4.954 -5.310 1.527 575 3HG1 VAL 85 3HG1 VAL 85 6.182 -4.803 2.694 576 1HG2 VAL 85 2HG2 VAL 85 3.064 -6.591 4.197 577 2HG2 VAL 85 3HG2 VAL 85 3.958 -5.143 4.600 578 3HG2 VAL 85 1HG2 VAL 85 3.235 -5.340 2.981 579 H VAL 86 HN VAL 86 2.484 -8.569 3.652 580 HA VAL 86 HA VAL 86 1.494 -8.882 0.852 581 HB VAL 86 HB VAL 86 0.541 -10.315 3.366 582 1HG1 VAL 86 3HG1 VAL 86 -0.228 -10.552 0.435 583 2HG1 VAL 86 1HG1 VAL 86 -0.827 -11.620 1.716 584 3HG1 VAL 86 2HG1 VAL 86 -1.266 -9.903 1.667 585 1HG2 VAL 86 2HG2 VAL 86 2.182 -11.331 0.995 586 2HG2 VAL 86 3HG2 VAL 86 2.713 -11.242 2.686 587 3HG2 VAL 86 1HG2 VAL 86 1.431 -12.367 2.225 588 H ILE 87 HN ILE 87 0.028 -7.358 0.329 589 HA ILE 87 HA ILE 87 -1.728 -6.331 2.403 590 HB ILE 87 HB ILE 87 -0.119 -4.709 2.463 591 1HG1 ILE 87 2HG1 ILE 87 -2.487 -3.803 1.800 592 2HG1 ILE 87 3HG1 ILE 87 -1.102 -2.714 1.864 593 1HG2 ILE 87 1HG2 ILE 87 0.320 -4.866 -0.450 594 2HG2 ILE 87 2HG2 ILE 87 0.964 -3.576 0.589 595 3HG2 ILE 87 3HG2 ILE 87 1.454 -5.259 0.854 596 1HD1 ILE 87 HD3 ILE 87 -1.766 -4.154 -0.697 597 2HD1 ILE 87 HD1 ILE 87 -2.553 -2.643 -0.294 598 3HD1 ILE 87 HD2 ILE 87 -0.798 -2.692 -0.444 599 H GLU 88 HN GLU 88 -3.735 -5.561 1.558 600 HA GLU 88 HA GLU 88 -4.390 -6.464 -1.218 601 1HB GLU 88 2HB GLU 88 -6.271 -5.539 0.922 602 2HB GLU 88 3HB GLU 88 -6.692 -6.487 -0.519 603 1HG GLU 88 2HG GLU 88 -5.617 -8.450 0.561 604 2HG GLU 88 3HG GLU 88 -5.142 -7.424 1.921 605 H THR 89 HN THR 89 -4.826 -4.895 -2.767 606 HA THR 89 HA THR 89 -4.585 -2.044 -1.839 607 HB THR 89 HB THR 89 -4.227 -1.427 -4.170 608 HG1 THR 89 HG1 THR 89 -4.887 -4.128 -4.722 609 1HG2 THR 89 1HG2 THR 89 -2.689 -3.953 -3.452 610 2HG2 THR 89 2HG2 THR 89 -2.297 -2.802 -4.738 611 3HG2 THR 89 3HG2 THR 89 -2.274 -2.275 -3.042 612 H HIS 90 HN HIS 90 -6.213 -0.495 -3.102 613 HA HIS 90 HA HIS 90 -8.316 0.208 -3.592 614 1HB HIS 90 2HB HIS 90 -9.046 -2.730 -4.026 615 2HB HIS 90 3HB HIS 90 -9.993 -1.326 -4.491 616 HD1 HIS 90 HND HIS 90 -6.238 -1.997 -5.272 617 HD2 HIS 90 HD HIS 90 -9.994 -1.457 -7.082 618 HE1 HIS 90 HE HIS 90 -5.839 -2.150 -7.738 619 H LYS 91 HN LYS 91 -7.830 0.418 -1.015 620 HA LYS 91 HA LYS 91 -10.316 -0.576 0.338 621 1HB LYS 91 2HB LYS 91 -7.590 -0.183 1.580 622 2HB LYS 91 3HB LYS 91 -9.020 -0.881 2.331 623 1HG LYS 91 2HG LYS 91 -7.613 -2.082 -0.106 624 2HG LYS 91 3HG LYS 91 -7.400 -2.597 1.562 625 1HD LYS 91 2HD LYS 91 -9.519 -3.310 1.827 626 2HD LYS 91 3HD LYS 91 -10.135 -2.592 0.356 627 1HE LYS 91 2HE LYS 91 -9.287 -4.062 -1.097 628 2HE LYS 91 3HE LYS 91 -7.906 -4.449 -0.071 629 1HZ LYS 91 1HNZ LYS 91 -10.627 -5.332 0.645 630 2HZ LYS 91 2HNZ LYS 91 -9.604 -6.238 -0.293 631 3HZ LYS 91 3HNZ LYS 91 -9.170 -5.884 1.217 632 H GLU 92 HN GLU 92 -10.049 1.980 -1.051 633 HA GLU 92 HA GLU 92 -9.866 4.075 0.916 634 1HB GLU 92 2HB GLU 92 -9.759 4.455 -1.486 635 2HB GLU 92 3HB GLU 92 -11.402 3.859 -1.741 636 1HG GLU 92 2HG GLU 92 -12.381 5.741 -0.665 637 2HG GLU 92 3HG GLU 92 -10.857 6.183 0.122 638 H GLU 93 HN GLU 93 -12.904 2.761 -0.549 639 HA GLU 93 HA GLU 93 -14.359 3.557 1.836 640 1HB GLU 93 2HB GLU 93 -15.280 2.070 -0.674 641 2HB GLU 93 3HB GLU 93 -16.332 2.725 0.583 642 1HG GLU 93 2HG GLU 93 -15.554 5.015 0.090 643 2HG GLU 93 3HG GLU 93 -14.460 4.404 -1.160 644 H GLU 94 HN GLU 94 -12.609 2.002 2.742 645 HA GLU 94 HA GLU 94 -13.909 -0.363 3.920 646 1HB GLU 94 2HB GLU 94 -11.333 -0.240 2.361 647 2HB GLU 94 3HB GLU 94 -11.355 -1.242 3.791 648 1HG GLU 94 2HG GLU 94 -13.692 -1.644 2.059 649 2HG GLU 94 3HG GLU 94 -12.180 -1.974 1.237 650 H ILE 95 HN ILE 95 -11.117 2.003 3.928 651 HA ILE 95 HA ILE 95 -10.737 1.650 6.766 652 HB ILE 95 HB ILE 95 -9.152 3.410 6.583 653 1HG1 ILE 95 2HG1 ILE 95 -9.787 3.692 3.623 654 2HG1 ILE 95 3HG1 ILE 95 -10.369 4.806 4.879 655 1HG2 ILE 95 3HG2 ILE 95 -8.737 1.087 5.947 656 2HG2 ILE 95 1HG2 ILE 95 -8.815 1.470 4.240 657 3HG2 ILE 95 2HG2 ILE 95 -7.563 2.209 5.268 658 1HD1 ILE 95 HD2 ILE 95 -7.460 4.253 4.368 659 2HD1 ILE 95 HD3 ILE 95 -8.385 5.646 3.785 660 3HD1 ILE 95 HD1 ILE 95 -8.146 5.379 5.542 661 H VAL 96 HN VAL 96 -12.562 4.011 4.821 662 HA VAL 96 HA VAL 96 -13.330 5.452 7.293 663 HB VAL 96 HB VAL 96 -14.574 6.928 5.827 664 1HG1 VAL 96 3HG1 VAL 96 -12.148 7.350 6.302 665 2HG1 VAL 96 1HG1 VAL 96 -11.751 6.563 4.757 666 3HG1 VAL 96 2HG1 VAL 96 -12.711 8.048 4.772 667 1HG2 VAL 96 1HG2 VAL 96 -15.178 5.347 4.003 668 2HG2 VAL 96 2HG2 VAL 96 -14.414 6.826 3.394 669 3HG2 VAL 96 3HG2 VAL 96 -13.481 5.325 3.477 No H/Q in entry = 668 Start of MODEL 15 1 1H ALA 1 1HN ALA 1 14.426 -3.685 0.988 2 2H ALA 1 2HN ALA 1 15.654 -2.725 1.430 3 2H ALA 1 3HN ALA 1 15.654 -2.725 1.430 4 HA ALA 1 HA ALA 1 16.474 -3.265 -0.450 5 1HB ALA 1 1HB ALA 1 17.975 -3.961 1.302 6 2HB ALA 1 2HB ALA 1 17.284 -5.605 1.276 7 3HB ALA 1 3HB ALA 1 18.153 -4.978 -0.162 8 H THR 2 HN THR 2 14.523 -3.450 -1.495 9 HA THR 2 HA THR 2 13.245 -4.291 -3.099 10 HB THR 2 HB THR 2 15.662 -6.086 -3.509 11 HG1 THR 2 HG1 THR 2 15.375 -3.286 -3.926 12 1HG2 THR 2 2HG2 THR 2 13.803 -4.590 -5.428 13 2HG2 THR 2 3HG2 THR 2 15.298 -5.414 -5.905 14 3HG2 THR 2 1HG2 THR 2 13.946 -6.348 -5.239 15 H TYR 3 HN TYR 3 11.684 -5.183 -1.629 16 HA TYR 3 HA TYR 3 11.862 -8.103 -1.120 17 1HB TYR 3 2HB TYR 3 9.973 -6.013 -0.019 18 2HB TYR 3 3HB TYR 3 10.157 -7.671 0.547 19 HD1 TYR 3 HD2 TYR 3 12.753 -8.319 1.152 20 HD2 TYR 3 HD1 TYR 3 11.142 -4.323 1.082 21 HE1 TYR 3 HE2 TYR 3 14.415 -7.614 2.851 22 HE2 TYR 3 HE1 TYR 3 12.711 -3.668 2.863 23 HH TYR 3 HOH TYR 3 13.734 -4.852 4.783 24 H ASN 4 HN ASN 4 9.993 -9.406 -1.222 25 HA ASN 4 HA ASN 4 8.534 -9.200 -3.734 26 1HB ASN 4 2HB ASN 4 9.650 -11.244 -2.834 27 2HB ASN 4 3HB ASN 4 8.542 -11.278 -1.490 28 1HD2 ASN 4 2HND ASN 4 5.757 -12.486 -3.323 29 2HD2 ASN 4 1HND ASN 4 6.242 -11.341 -2.062 30 H VAL 5 HN VAL 5 7.126 -7.403 -3.305 31 HA VAL 5 HA VAL 5 5.356 -7.563 -0.923 32 HB VAL 5 HB VAL 5 5.399 -5.516 -3.149 33 1HG1 VAL 5 2HG1 VAL 5 3.818 -5.740 -0.535 34 2HG1 VAL 5 3HG1 VAL 5 4.081 -4.197 -1.347 35 3HG1 VAL 5 1HG1 VAL 5 3.213 -5.493 -2.171 36 1HG2 VAL 5 2HG2 VAL 5 6.644 -5.497 -0.362 37 2HG2 VAL 5 3HG2 VAL 5 7.480 -5.392 -1.915 38 3HG2 VAL 5 1HG2 VAL 5 6.433 -4.062 -1.384 39 H LYS 6 HN LYS 6 3.352 -8.680 -1.050 40 HA LYS 6 HA LYS 6 2.238 -9.056 -3.751 41 1HB LYS 6 2HB LYS 6 2.519 -10.922 -2.094 42 2HB LYS 6 3HB LYS 6 1.195 -10.188 -1.185 43 1HG LYS 6 2HG LYS 6 -0.133 -10.114 -3.435 44 2HG LYS 6 3HG LYS 6 1.184 -11.077 -4.115 45 1HD LYS 6 2HD LYS 6 -0.908 -11.803 -2.086 46 2HD LYS 6 3HD LYS 6 -0.413 -12.479 -3.657 47 1HE LYS 6 2HE LYS 6 1.875 -12.981 -2.292 48 2HE LYS 6 3HE LYS 6 0.820 -12.823 -0.930 49 1HZ LYS 6 2HNZ LYS 6 -0.637 -14.393 -2.541 50 2HZ LYS 6 3HNZ LYS 6 0.822 -14.583 -3.288 51 3HZ LYS 6 1HNZ LYS 6 0.653 -15.110 -1.725 52 H LEU 7 HN LEU 7 0.582 -8.038 -4.516 53 HA LEU 7 HA LEU 7 -1.178 -6.470 -2.724 54 1HB LEU 7 2HB LEU 7 -0.672 -6.018 -5.678 55 2HB LEU 7 3HB LEU 7 -1.637 -5.032 -4.597 56 HG LEU 7 HG LEU 7 1.377 -5.423 -4.543 57 1HD1 LEU 7 1HD1 LEU 7 -0.391 -3.254 -5.607 58 2HD1 LEU 7 2HD1 LEU 7 1.161 -2.798 -4.872 59 3HD1 LEU 7 3HD1 LEU 7 1.133 -3.926 -6.215 60 1HD2 LEU 7 2HD2 LEU 7 -0.371 -3.832 -2.644 61 2HD2 LEU 7 3HD2 LEU 7 0.747 -5.166 -2.294 62 3HD2 LEU 7 1HD2 LEU 7 1.381 -3.617 -2.798 63 H ILE 8 HN ILE 8 -2.896 -7.625 -2.239 64 HA ILE 8 HA ILE 8 -3.933 -9.673 -4.089 65 HB ILE 8 HB ILE 8 -4.752 -8.706 -1.344 66 1HG1 ILE 8 2HG1 ILE 8 -3.729 -11.450 -1.974 67 2HG1 ILE 8 3HG1 ILE 8 -2.579 -10.126 -1.739 68 1HG2 ILE 8 1HG2 ILE 8 -5.909 -10.960 -3.042 69 2HG2 ILE 8 2HG2 ILE 8 -6.254 -10.729 -1.318 70 3HG2 ILE 8 3HG2 ILE 8 -6.774 -9.517 -2.478 71 1HD1 ILE 8 HD1 ILE 8 -4.695 -10.922 0.297 72 2HD1 ILE 8 HD2 ILE 8 -2.987 -11.380 0.334 73 3HD1 ILE 8 HD3 ILE 8 -3.446 -9.666 0.467 74 H THR 9 HN THR 9 -4.308 -8.347 -5.864 75 HA THR 9 HA THR 9 -6.250 -6.225 -5.650 76 HB THR 9 HB THR 9 -5.987 -6.099 -8.046 77 HG1 THR 9 HG1 THR 9 -5.530 -8.470 -8.275 78 1HG2 THR 9 1HG2 THR 9 -3.302 -6.470 -6.604 79 2HG2 THR 9 2HG2 THR 9 -3.500 -5.690 -8.179 80 3HG2 THR 9 3HG2 THR 9 -4.218 -4.946 -6.747 81 HA PRO 10 HA PRO 10 -9.934 -8.590 -6.256 82 1HB PRO 10 2HB PRO 10 -10.642 -6.840 -8.578 83 2HB PRO 10 3HB PRO 10 -11.616 -7.288 -7.139 84 1HG PRO 10 2HG PRO 10 -10.414 -4.887 -7.341 85 2HG PRO 10 3HG PRO 10 -10.449 -5.739 -5.781 86 1HD PRO 10 2HD PRO 10 -8.161 -5.357 -7.557 87 2HD PRO 10 3HD PRO 10 -8.238 -5.652 -5.840 88 H ASP 11 HN ASP 11 -8.198 -7.798 -9.225 89 HA ASP 11 HA ASP 11 -8.950 -9.598 -11.150 90 1HB ASP 11 2HB ASP 11 -6.240 -8.474 -10.277 91 2HB ASP 11 3HB ASP 11 -6.476 -9.338 -11.771 92 H GLY 12 HN GLY 12 -6.957 -10.039 -8.312 93 1HA GLY 12 2HA GLY 12 -7.065 -12.021 -7.192 94 2HA GLY 12 3HA GLY 12 -6.857 -12.995 -8.670 95 H GLU 13 HN GLU 13 -5.238 -10.355 -6.915 96 HA GLU 13 HA GLU 13 -3.173 -9.985 -6.109 97 1HB GLU 13 2HB GLU 13 -2.782 -12.905 -6.664 98 2HB GLU 13 3HB GLU 13 -1.570 -11.889 -5.910 99 1HG GLU 13 2HG GLU 13 -2.800 -11.590 -3.958 100 2HG GLU 13 3HG GLU 13 -4.319 -12.138 -4.688 101 H VAL 14 HN VAL 14 -0.998 -9.534 -6.755 102 HA VAL 14 HA VAL 14 -0.292 -10.182 -9.594 103 HB VAL 14 HB VAL 14 0.812 -7.891 -9.691 104 1HG1 VAL 14 1HG1 VAL 14 -1.238 -8.557 -10.940 105 2HG1 VAL 14 2HG1 VAL 14 -2.220 -8.015 -9.552 106 3HG1 VAL 14 3HG1 VAL 14 -1.249 -6.846 -10.471 107 1HG2 VAL 14 1HG2 VAL 14 -1.181 -7.333 -7.442 108 2HG2 VAL 14 2HG2 VAL 14 0.584 -7.105 -7.344 109 3HG2 VAL 14 3HG2 VAL 14 -0.400 -6.110 -8.419 110 H GLU 15 HN GLU 15 1.249 -8.757 -6.747 111 HA GLU 15 HA GLU 15 3.079 -9.251 -5.608 112 1HB GLU 15 2HB GLU 15 2.215 -11.778 -6.260 113 2HB GLU 15 3HB GLU 15 3.846 -11.781 -6.959 114 1HG GLU 15 2HG GLU 15 4.887 -11.397 -4.938 115 2HG GLU 15 3HG GLU 15 3.424 -10.895 -4.113 116 H PHE 16 HN PHE 16 5.060 -8.381 -5.664 117 HA PHE 16 HA PHE 16 6.637 -8.299 -8.129 118 1HB PHE 16 2HB PHE 16 6.181 -6.242 -8.878 119 2HB PHE 16 3HB PHE 16 4.599 -6.862 -8.564 120 HD1 PHE 16 HD2 PHE 16 3.680 -6.232 -6.078 121 HD2 PHE 16 HD1 PHE 16 7.056 -4.332 -7.970 122 HE1 PHE 16 HE2 PHE 16 3.510 -4.358 -4.520 123 HE2 PHE 16 HE1 PHE 16 6.902 -2.507 -6.405 124 HZ PHE 16 HZ PHE 16 5.021 -2.359 -4.773 125 H LYS 17 HN LYS 17 8.404 -6.572 -8.004 126 HA LYS 17 HA LYS 17 9.559 -6.827 -5.296 127 1HB LYS 17 2HB LYS 17 10.633 -7.246 -7.905 128 2HB LYS 17 3HB LYS 17 11.485 -5.883 -7.195 129 1HG LYS 17 2HG LYS 17 12.687 -7.867 -6.493 130 2HG LYS 17 3HG LYS 17 11.844 -7.170 -5.108 131 1HD LYS 17 2HD LYS 17 11.129 -9.273 -4.727 132 2HD LYS 17 3HD LYS 17 9.908 -8.856 -5.915 133 1HE LYS 17 2HE LYS 17 12.514 -10.328 -6.508 134 2HE LYS 17 3HE LYS 17 10.908 -11.062 -6.394 135 1HZ LYS 17 2HNZ LYS 17 10.218 -9.721 -8.271 136 2HZ LYS 17 3HNZ LYS 17 11.700 -9.032 -8.381 137 3HZ LYS 17 1HNZ LYS 17 11.522 -10.641 -8.675 138 H CYS 18 HN CYS 18 9.581 -5.239 -3.975 139 HA CYS 18 HA CYS 18 9.619 -2.409 -5.008 140 1HB CYS 18 2HB CYS 18 7.405 -3.283 -4.059 141 2HB CYS 18 3HB CYS 18 8.268 -3.291 -2.522 142 HG CYS 18 HSG CYS 18 7.749 -0.864 -4.723 143 H ASP 19 HN ASP 19 11.205 -1.132 -4.253 144 HA ASP 19 HA ASP 19 13.174 -2.230 -2.417 145 1HB ASP 19 2HB ASP 19 13.090 0.544 -3.653 146 2HB ASP 19 3HB ASP 19 14.467 -0.275 -2.918 147 H ASP 20 HN ASP 20 13.846 -1.235 -0.445 148 HA ASP 20 HA ASP 20 11.587 -0.319 1.132 149 1HB ASP 20 2HB ASP 20 13.358 -0.034 2.947 150 2HB ASP 20 3HB ASP 20 13.151 -1.633 2.277 151 H ASP 21 HN ASP 21 13.882 1.209 -0.880 152 HA ASP 21 HA ASP 21 13.649 3.876 0.339 153 1HB ASP 21 2HB ASP 21 15.031 2.893 -2.195 154 2HB ASP 21 3HB ASP 21 15.121 4.530 -1.538 155 H VAL 22 HN VAL 22 11.533 2.047 -1.621 156 HA VAL 22 HA VAL 22 10.624 4.495 -3.060 157 HB VAL 22 HB VAL 22 12.184 2.870 -4.375 158 1HG1 VAL 22 2HG1 VAL 22 10.791 0.831 -3.619 159 2HG1 VAL 22 3HG1 VAL 22 9.602 1.340 -4.815 160 3HG1 VAL 22 1HG1 VAL 22 11.271 0.954 -5.309 161 1HG2 VAL 22 1HG2 VAL 22 10.878 4.701 -5.402 162 2HG2 VAL 22 2HG2 VAL 22 10.901 3.251 -6.434 163 3HG2 VAL 22 3HG2 VAL 22 9.469 3.624 -5.456 164 H TYR 23 HN TYR 23 8.392 4.461 -3.732 165 HA TYR 23 HA TYR 23 6.854 3.263 -1.627 166 1HB TYR 23 2HB TYR 23 5.909 4.803 -4.050 167 2HB TYR 23 3HB TYR 23 4.954 4.427 -2.622 168 HD1 TYR 23 HD2 TYR 23 6.658 5.081 -0.332 169 HD2 TYR 23 HD1 TYR 23 6.130 7.144 -4.089 170 HE1 TYR 23 HE2 TYR 23 6.977 7.250 0.800 171 HE2 TYR 23 HE1 TYR 23 6.579 9.293 -2.968 172 HH TYR 23 HOH TYR 23 6.950 10.354 -0.957 173 H VAL 24 HN VAL 24 5.008 1.940 -1.837 174 HA VAL 24 HA VAL 24 5.277 -0.234 -3.723 175 HB VAL 24 HB VAL 24 2.832 0.240 -2.016 176 1HG1 VAL 24 2HG1 VAL 24 3.037 -1.792 -3.573 177 2HG1 VAL 24 3HG1 VAL 24 4.456 -2.269 -2.608 178 3HG1 VAL 24 1HG1 VAL 24 2.851 -2.191 -1.851 179 1HG2 VAL 24 1HG2 VAL 24 5.569 -0.603 -1.052 180 2HG2 VAL 24 2HG2 VAL 24 4.459 0.622 -0.380 181 3HG2 VAL 24 3HG2 VAL 24 4.071 -1.085 -0.211 182 H LEU 25 HN LEU 25 5.045 1.879 -5.319 183 HA LEU 25 HA LEU 25 2.699 1.186 -6.873 184 1HB LEU 25 2HB LEU 25 1.846 2.970 -5.348 185 2HB LEU 25 3HB LEU 25 2.995 4.113 -6.044 186 HG LEU 25 HG LEU 25 1.136 2.542 -7.875 187 1HD1 LEU 25 2HD1 LEU 25 0.336 4.929 -6.183 188 2HD1 LEU 25 3HD1 LEU 25 -0.596 4.308 -7.570 189 3HD1 LEU 25 1HD1 LEU 25 -0.360 3.304 -6.131 190 1HD2 LEU 25 1HD2 LEU 25 2.253 5.383 -7.956 191 2HD2 LEU 25 2HD2 LEU 25 2.819 4.025 -8.932 192 3HD2 LEU 25 3HD2 LEU 25 1.191 4.655 -9.179 193 H ASP 26 HN ASP 26 5.352 3.556 -6.434 194 HA ASP 26 HA ASP 26 6.084 4.048 -9.077 195 1HB ASP 26 2HB ASP 26 7.624 3.734 -6.487 196 2HB ASP 26 3HB ASP 26 8.457 4.172 -7.990 197 H GLN 27 HN GLN 27 7.541 1.521 -7.001 198 HA GLN 27 HA GLN 27 8.748 0.170 -9.264 199 1HB GLN 27 2HB GLN 27 8.658 -0.170 -6.308 200 2HB GLN 27 3HB GLN 27 8.792 -1.678 -7.194 201 1HG GLN 27 2HG GLN 27 10.636 0.679 -7.497 202 2HG GLN 27 3HG GLN 27 10.989 -0.833 -6.614 203 1HE2 GLN 27 2HNE GLN 27 10.861 -2.678 -9.892 204 2HE2 GLN 27 1HNE GLN 27 10.194 -2.883 -8.265 205 H ALA 28 HN ALA 28 5.536 0.241 -8.396 206 HA ALA 28 HA ALA 28 4.942 -2.606 -9.041 207 1HB ALA 28 1HB ALA 28 3.844 -0.994 -7.214 208 2HB ALA 28 2HB ALA 28 2.846 -0.524 -8.620 209 3HB ALA 28 3HB ALA 28 2.920 -2.213 -8.074 210 H GLU 29 HN GLU 29 4.229 0.711 -10.225 211 HA GLU 29 HA GLU 29 2.880 0.028 -12.563 212 1HB GLU 29 2HB GLU 29 4.682 2.393 -11.886 213 2HB GLU 29 3HB GLU 29 3.777 2.269 -13.402 214 1HG GLU 29 2HG GLU 29 1.649 2.020 -12.123 215 2HG GLU 29 3HG GLU 29 2.537 2.288 -10.620 216 H GLU 30 HN GLU 30 6.423 0.210 -11.967 217 HA GLU 30 HA GLU 30 7.145 -0.236 -14.668 218 1HB GLU 30 2HB GLU 30 9.329 -0.544 -14.001 219 2HB GLU 30 3HB GLU 30 8.632 0.602 -12.866 220 1HG GLU 30 2HG GLU 30 9.603 -0.697 -11.310 221 2HG GLU 30 3HG GLU 30 8.172 -1.714 -11.506 222 H GLU 31 HN GLU 31 6.071 -2.581 -12.259 223 HA GLU 31 HA GLU 31 6.775 -4.832 -14.010 224 1HB GLU 31 2HB GLU 31 4.976 -4.805 -11.564 225 2HB GLU 31 3HB GLU 31 5.774 -6.195 -12.312 226 1HG GLU 31 2HG GLU 31 7.753 -4.152 -11.748 227 2HG GLU 31 3HG GLU 31 6.753 -4.310 -10.347 228 H GLY 32 HN GLY 32 4.180 -2.651 -13.434 229 1HA GLY 32 2HA GLY 32 2.696 -2.222 -15.341 230 2HA GLY 32 3HA GLY 32 2.426 -3.963 -15.496 231 H ILE 33 HN ILE 33 2.665 -2.901 -12.183 232 HA ILE 33 HA ILE 33 -0.137 -3.621 -11.817 233 HB ILE 33 HB ILE 33 1.880 -2.456 -9.916 234 1HG1 ILE 33 2HG1 ILE 33 1.005 -5.288 -10.530 235 2HG1 ILE 33 3HG1 ILE 33 2.617 -4.592 -10.832 236 1HG2 ILE 33 2HG2 ILE 33 -0.568 -2.164 -9.215 237 2HG2 ILE 33 3HG2 ILE 33 -0.705 -3.925 -9.234 238 3HG2 ILE 33 1HG2 ILE 33 0.405 -3.096 -8.116 239 1HD1 ILE 33 HD3 ILE 33 1.506 -5.012 -8.051 240 2HD1 ILE 33 HD1 ILE 33 2.606 -6.081 -8.903 241 3HD1 ILE 33 HD2 ILE 33 3.111 -4.420 -8.514 242 H ASP 34 HN ASP 34 -1.801 -2.368 -12.086 243 HA ASP 34 HA ASP 34 -1.662 0.593 -11.719 244 1HB ASP 34 2HB ASP 34 -2.701 -0.317 -13.792 245 2HB ASP 34 3HB ASP 34 -3.888 -1.182 -12.802 246 H ILE 35 HN ILE 35 -2.043 1.168 -9.548 247 HA ILE 35 HA ILE 35 -4.135 -0.267 -8.084 248 HB ILE 35 HB ILE 35 -2.089 1.623 -7.067 249 1HG1 ILE 35 2HG1 ILE 35 -1.918 -1.414 -6.863 250 2HG1 ILE 35 3HG1 ILE 35 -0.839 -0.366 -7.806 251 1HG2 ILE 35 1HG2 ILE 35 -3.997 1.636 -5.794 252 2HG2 ILE 35 2HG2 ILE 35 -3.950 -0.144 -5.587 253 3HG2 ILE 35 3HG2 ILE 35 -2.709 0.912 -4.851 254 1HD1 ILE 35 HD1 ILE 35 -0.182 0.800 -5.653 255 2HD1 ILE 35 HD2 ILE 35 -0.987 -0.530 -4.792 256 3HD1 ILE 35 HD3 ILE 35 0.378 -0.860 -5.863 257 HA PRO 36 HA PRO 36 -5.965 3.754 -9.220 258 1HB PRO 36 2HB PRO 36 -8.214 3.707 -7.653 259 2HB PRO 36 3HB PRO 36 -8.016 2.694 -9.114 260 1HG PRO 36 2HG PRO 36 -7.731 1.898 -6.240 261 2HG PRO 36 3HG PRO 36 -8.443 0.969 -7.590 262 1HD PRO 36 2HD PRO 36 -5.855 0.702 -6.568 263 2HD PRO 36 3HD PRO 36 -6.217 0.198 -8.230 264 H TYR 37 HN TYR 37 -4.752 5.424 -8.445 265 HA TYR 37 HA TYR 37 -4.189 5.985 -5.664 266 1HB TYR 37 2HB TYR 37 -4.083 7.534 -8.276 267 2HB TYR 37 3HB TYR 37 -3.952 8.390 -6.752 268 HD1 TYR 37 HD1 TYR 37 -2.245 7.626 -5.009 269 HD2 TYR 37 HD2 TYR 37 -1.993 6.931 -9.258 270 HE1 TYR 37 HE1 TYR 37 0.208 7.897 -4.913 271 HE2 TYR 37 HE2 TYR 37 0.467 7.219 -9.151 272 HH TYR 37 HOH TYR 37 2.217 7.718 -6.106 273 H SER 38 HN SER 38 -5.872 8.411 -7.474 274 HA SER 38 HA SER 38 -8.161 9.170 -7.142 275 1HB SER 38 2HB SER 38 -8.807 7.620 -5.330 276 2HB SER 38 3HB SER 38 -7.678 8.432 -4.229 277 HG SER 38 HOG SER 38 -9.647 9.283 -3.882 278 H CYS 39 HN CYS 39 -5.779 9.622 -4.440 279 HA CYS 39 HA CYS 39 -5.395 12.456 -5.284 280 1HB CYS 39 2HB CYS 39 -4.833 12.796 -2.858 281 2HB CYS 39 3HB CYS 39 -6.488 12.407 -3.283 282 H ARG 40 HN ARG 40 -3.191 13.126 -3.984 283 HA ARG 40 HA ARG 40 -1.006 11.325 -4.055 284 1HB ARG 40 2HB ARG 40 -1.388 13.096 -6.460 285 2HB ARG 40 3HB ARG 40 0.228 12.946 -5.748 286 1HG ARG 40 2HG ARG 40 -0.094 10.411 -5.838 287 2HG ARG 40 3HG ARG 40 -1.422 10.697 -6.955 288 1HD ARG 40 2HD ARG 40 1.211 12.040 -7.614 289 2HD ARG 40 3HD ARG 40 1.174 10.295 -7.639 290 HE ARG 40 HNE ARG 40 -0.084 10.206 -9.479 291 1HH1 ARG 40 2HN2 ARG 40 -0.312 13.447 -8.186 292 2HH1 ARG 40 1HN2 ARG 40 -1.081 14.163 -9.573 293 1HH2 ARG 40 2HN1 ARG 40 -1.090 11.072 -11.373 294 2HH2 ARG 40 1HN1 ARG 40 -1.541 12.746 -11.444 295 H ALA 41 HN ALA 41 0.715 12.225 -3.028 296 HA ALA 41 HA ALA 41 2.073 13.694 -1.984 297 1HB ALA 41 2HB ALA 41 1.385 15.514 -3.519 298 2HB ALA 41 3HB ALA 41 0.089 15.956 -2.381 299 3HB ALA 41 1HB ALA 41 1.776 16.045 -1.871 300 H GLY 42 HN GLY 42 1.874 12.470 -0.184 301 1HA GLY 42 2HA GLY 42 -0.003 11.905 1.580 302 2HA GLY 42 3HA GLY 42 1.643 12.245 2.115 303 H SER 43 HN SER 43 -0.919 12.620 3.477 304 HA SER 43 HA SER 43 -1.967 14.088 4.857 305 1HB SER 43 2HB SER 43 0.008 15.708 4.668 306 2HB SER 43 3HB SER 43 -0.904 16.492 3.354 307 HG SER 43 HOG SER 43 -1.338 17.450 5.372 308 H CYS 44 HN CYS 44 -2.954 12.634 2.823 309 HA CYS 44 HA CYS 44 -5.077 14.270 1.620 310 1HB CYS 44 2HB CYS 44 -4.648 13.070 -0.517 311 2HB CYS 44 3HB CYS 44 -3.458 14.264 -0.031 312 H SER 45 HN SER 45 -6.994 13.203 1.525 313 HA SER 45 HA SER 45 -7.126 10.707 3.133 314 1HB SER 45 2HB SER 45 -9.251 12.820 2.704 315 2HB SER 45 3HB SER 45 -9.294 11.433 3.810 316 HG SER 45 HOG SER 45 -8.635 13.247 4.958 317 H SER 46 HN SER 46 -6.708 9.400 1.105 318 HA SER 46 HA SER 46 -9.213 8.337 0.310 319 1HB SER 46 2HB SER 46 -8.503 10.365 -1.425 320 2HB SER 46 3HB SER 46 -7.603 9.011 -2.116 321 HG SER 46 HOG SER 46 -10.375 8.934 -1.494 322 H CYS 47 HN CYS 47 -8.335 6.660 -1.687 323 HA CYS 47 HA CYS 47 -7.126 4.789 -2.145 324 1HB CYS 47 2HB CYS 47 -4.757 5.903 -0.778 325 2HB CYS 47 3HB CYS 47 -4.819 4.956 -2.251 326 H ALA 48 HN ALA 48 -5.586 3.071 -1.089 327 HA ALA 48 HA ALA 48 -4.543 2.755 1.194 328 1HB ALA 48 3HB ALA 48 -7.476 2.457 1.912 329 2HB ALA 48 1HB ALA 48 -6.216 1.681 2.866 330 3HB ALA 48 2HB ALA 48 -6.192 3.422 2.692 331 H GLY 49 HN GLY 49 -4.480 0.567 2.233 332 1HA GLY 49 2HA GLY 49 -5.677 -1.563 0.715 333 2HA GLY 49 3HA GLY 49 -3.910 -1.631 0.820 334 H LYS 50 HN LYS 50 -5.454 -3.673 1.950 335 HA LYS 50 HA LYS 50 -5.382 -3.237 4.836 336 1HB LYS 50 2HB LYS 50 -7.259 -4.274 3.302 337 2HB LYS 50 3HB LYS 50 -6.357 -5.769 3.488 338 1HG LYS 50 2HG LYS 50 -6.763 -5.874 5.817 339 2HG LYS 50 3HG LYS 50 -7.024 -4.125 5.938 340 1HD LYS 50 2HD LYS 50 -9.032 -4.405 4.425 341 2HD LYS 50 3HD LYS 50 -8.927 -6.149 4.729 342 1HE LYS 50 2HE LYS 50 -9.181 -5.794 7.151 343 2HE LYS 50 3HE LYS 50 -9.026 -4.062 6.986 344 1HZ LYS 50 2HNZ LYS 50 -11.284 -5.472 5.725 345 2HZ LYS 50 3HNZ LYS 50 -11.334 -4.793 7.229 346 3HZ LYS 50 1HNZ LYS 50 -11.084 -3.851 5.926 347 H VAL 51 HN VAL 51 -3.511 -3.801 5.871 348 HA VAL 51 HA VAL 51 -1.399 -5.388 4.696 349 HB VAL 51 HB VAL 51 -2.005 -4.467 7.575 350 1HG1 VAL 51 2HG1 VAL 51 0.563 -5.697 6.508 351 2HG1 VAL 51 3HG1 VAL 51 0.349 -4.932 8.100 352 3HG1 VAL 51 1HG1 VAL 51 -0.543 -6.401 7.720 353 1HG2 VAL 51 3HG2 VAL 51 -0.666 -3.146 5.293 354 2HG2 VAL 51 1HG2 VAL 51 -1.373 -2.442 6.779 355 3HG2 VAL 51 2HG2 VAL 51 0.259 -3.075 6.796 356 H VAL 52 HN VAL 52 -1.509 -7.544 4.408 357 HA VAL 52 HA VAL 52 -3.273 -9.194 6.156 358 HB VAL 52 HB VAL 52 -1.756 -9.767 3.604 359 1HG1 VAL 52 1HG1 VAL 52 -3.574 -11.597 5.227 360 2HG1 VAL 52 2HG1 VAL 52 -2.989 -11.935 3.584 361 3HG1 VAL 52 3HG1 VAL 52 -1.840 -11.841 4.919 362 1HG2 VAL 52 2HG2 VAL 52 -4.718 -9.421 4.230 363 2HG2 VAL 52 3HG2 VAL 52 -3.696 -8.376 3.222 364 3HG2 VAL 52 1HG2 VAL 52 -4.087 -10.017 2.688 365 H SER 53 HN SER 53 0.194 -8.874 5.136 366 HA SER 53 HA SER 53 1.052 -9.865 7.725 367 1HB SER 53 2HB SER 53 0.514 -12.002 6.522 368 2HB SER 53 3HB SER 53 1.707 -11.567 5.276 369 HG SER 53 HOG SER 53 2.624 -12.894 6.917 370 H GLY 54 HN GLY 54 3.528 -10.111 7.614 371 1HA GLY 54 2HA GLY 54 5.574 -8.960 7.328 372 2HA GLY 54 3HA GLY 54 4.965 -8.280 5.843 373 H SER 55 HN SER 55 5.999 -6.237 6.600 374 HA SER 55 HA SER 55 3.882 -4.555 7.508 375 1HB SER 55 2HB SER 55 4.946 -5.203 9.698 376 2HB SER 55 3HB SER 55 6.459 -4.460 9.140 377 HG SER 55 HOG SER 55 3.959 -3.272 9.739 378 H ILE 56 HN ILE 56 4.755 -2.256 7.503 379 HA ILE 56 HA ILE 56 6.849 -1.626 5.597 380 HB ILE 56 HB ILE 56 5.309 -0.350 4.175 381 1HG1 ILE 56 2HG1 ILE 56 3.037 -1.742 5.604 382 2HG1 ILE 56 3HG1 ILE 56 3.395 -0.020 5.634 383 1HG2 ILE 56 1HG2 ILE 56 5.813 -3.059 3.916 384 2HG2 ILE 56 2HG2 ILE 56 4.063 -2.986 3.828 385 3HG2 ILE 56 3HG2 ILE 56 5.023 -2.053 2.686 386 1HD1 ILE 56 HD3 ILE 56 3.311 -0.498 2.894 387 2HD1 ILE 56 HD1 ILE 56 2.108 -1.642 3.505 388 3HD1 ILE 56 HD2 ILE 56 1.964 0.098 3.849 389 H ASP 57 HN ASP 57 7.045 0.795 5.485 390 HA ASP 57 HA ASP 57 6.075 2.147 7.979 391 1HB ASP 57 2HB ASP 57 8.508 2.024 7.894 392 2HB ASP 57 3HB ASP 57 8.526 2.683 6.251 393 H GLN 58 HN GLN 58 4.266 3.232 7.420 394 HA GLN 58 HA GLN 58 4.256 4.870 4.918 395 1HB GLN 58 2HB GLN 58 1.757 4.672 5.222 396 2HB GLN 58 3HB GLN 58 2.581 3.165 4.801 397 1HG GLN 58 2HG GLN 58 2.452 2.324 7.024 398 2HG GLN 58 3HG GLN 58 2.054 3.935 7.672 399 1HE2 GLN 58 2HNE GLN 58 -1.107 2.190 7.770 400 2HE2 GLN 58 1HNE GLN 58 0.476 2.104 8.526 401 H SER 59 HN SER 59 5.524 5.610 7.552 402 HA SER 59 HA SER 59 3.739 7.138 9.083 403 1HB SER 59 2HB SER 59 5.821 8.282 9.920 404 2HB SER 59 3HB SER 59 5.815 6.510 10.007 405 HG SER 59 HOG SER 59 7.170 6.379 8.297 406 H ASP 60 HN ASP 60 5.473 8.157 6.130 407 HA ASP 60 HA ASP 60 5.254 10.889 6.250 408 1HB ASP 60 2HB ASP 60 4.758 9.154 3.798 409 2HB ASP 60 3HB ASP 60 5.334 10.829 3.801 410 H GLN 61 HN GLN 61 2.668 8.615 5.586 411 HA GLN 61 HA GLN 61 1.135 9.969 3.821 412 1HB GLN 61 2HB GLN 61 -0.583 8.431 4.348 413 2HB GLN 61 3HB GLN 61 0.975 7.608 4.573 414 1HG GLN 61 2HG GLN 61 0.712 8.308 7.101 415 2HG GLN 61 3HG GLN 61 -0.988 8.606 6.668 416 1HE2 GLN 61 2HNE GLN 61 -0.878 5.202 7.999 417 2HE2 GLN 61 1HNE GLN 61 -0.804 6.856 8.593 418 H SER 62 HN SER 62 1.077 10.581 7.278 419 HA SER 62 HA SER 62 -0.467 11.582 8.661 420 1HB SER 62 2HB SER 62 -0.756 14.074 7.900 421 2HB SER 62 3HB SER 62 0.824 13.425 8.343 422 HG SER 62 HOG SER 62 1.248 13.087 6.105 423 H PHE 63 HN PHE 63 -2.037 9.855 7.759 424 HA PHE 63 HA PHE 63 -4.588 11.208 7.477 425 1HB PHE 63 2HB PHE 63 -4.265 11.093 5.158 426 2HB PHE 63 3HB PHE 63 -3.539 9.489 5.242 427 HD1 PHE 63 HD1 PHE 63 -6.809 10.362 6.947 428 HD2 PHE 63 HD2 PHE 63 -4.920 8.674 3.445 429 HE1 PHE 63 HE1 PHE 63 -8.853 9.113 6.433 430 HE2 PHE 63 HE2 PHE 63 -6.934 7.343 3.009 431 HZ PHE 63 HZ PHE 63 -8.937 7.604 4.452 432 H LEU 64 HN LEU 64 -3.478 7.730 6.999 433 HA LEU 64 HA LEU 64 -5.787 6.810 8.108 434 1HB LEU 64 2HB LEU 64 -3.109 5.446 7.948 435 2HB LEU 64 3HB LEU 64 -4.389 4.698 8.842 436 HG LEU 64 HG LEU 64 -5.908 4.940 6.799 437 1HD1 LEU 64 3HD1 LEU 64 -3.199 5.567 5.613 438 2HD1 LEU 64 1HD1 LEU 64 -4.582 5.010 4.635 439 3HD1 LEU 64 2HD1 LEU 64 -4.666 6.558 5.498 440 1HD2 LEU 64 3HD2 LEU 64 -3.425 3.193 6.712 441 2HD2 LEU 64 1HD2 LEU 64 -4.934 2.866 7.595 442 3HD2 LEU 64 2HD2 LEU 64 -4.943 2.905 5.819 443 H ASP 65 HN ASP 65 -6.613 6.260 10.041 444 HA ASP 65 HA ASP 65 -5.411 7.493 12.400 445 1HB ASP 65 2HB ASP 65 -7.901 5.774 12.193 446 2HB ASP 65 3HB ASP 65 -7.451 6.833 13.538 447 H ASP 66 HN ASP 66 -5.290 6.288 14.462 448 HA ASP 66 HA ASP 66 -3.529 4.068 14.453 449 1HB ASP 66 2HB ASP 66 -5.461 5.191 16.541 450 2HB ASP 66 3HB ASP 66 -4.406 3.806 16.847 451 H GLU 67 HN GLU 67 -7.064 4.367 14.722 452 HA GLU 67 HA GLU 67 -7.748 1.733 15.208 453 1HB GLU 67 2HB GLU 67 -9.506 3.294 13.295 454 2HB GLU 67 3HB GLU 67 -9.896 2.352 14.731 455 1HG GLU 67 2HG GLU 67 -8.755 4.280 16.029 456 2HG GLU 67 3HG GLU 67 -8.910 5.183 14.503 457 H GLN 68 HN GLN 68 -7.767 3.332 11.973 458 HA GLN 68 HA GLN 68 -8.119 1.097 10.435 459 1HB GLN 68 2HB GLN 68 -6.531 3.599 9.830 460 2HB GLN 68 3HB GLN 68 -7.092 2.452 8.606 461 1HG GLN 68 2HG GLN 68 -9.379 2.791 9.071 462 2HG GLN 68 3HG GLN 68 -9.042 3.763 10.503 463 1HE2 GLN 68 2HNE GLN 68 -9.827 5.983 7.642 464 2HE2 GLN 68 1HNE GLN 68 -10.651 4.585 8.299 465 H MET 69 HN MET 69 -4.875 2.515 11.381 466 HA MET 69 HA MET 69 -3.336 0.540 10.088 467 1HB MET 69 2HB MET 69 -2.754 2.094 12.640 468 2HB MET 69 3HB MET 69 -1.599 1.099 11.745 469 1HG MET 69 2HG MET 69 -2.110 2.534 9.699 470 2HG MET 69 3HG MET 69 -3.057 3.540 10.777 471 1HE MET 69 HE2 MET 69 -1.800 5.603 10.100 472 2HE MET 69 HE3 MET 69 -2.055 5.612 11.858 473 3HE MET 69 HE1 MET 69 -0.502 6.166 11.187 474 H ASP 70 HN ASP 70 -4.422 0.522 13.520 475 HA ASP 70 HA ASP 70 -3.344 -1.973 14.283 476 1HB ASP 70 2HB ASP 70 -4.292 -0.246 15.835 477 2HB ASP 70 3HB ASP 70 -5.906 -0.592 15.218 478 H ALA 71 HN ALA 71 -6.415 -1.071 12.872 479 HA ALA 71 HA ALA 71 -7.765 -3.577 12.932 480 1HB ALA 71 1HB ALA 71 -8.055 -1.141 11.147 481 2HB ALA 71 2HB ALA 71 -9.245 -2.460 11.231 482 3HB ALA 71 3HB ALA 71 -8.927 -1.444 12.657 483 H GLY 72 HN GLY 72 -5.218 -2.396 10.824 484 1HA GLY 72 2HA GLY 72 -3.955 -4.131 9.766 485 2HA GLY 72 3HA GLY 72 -5.428 -4.905 9.218 486 H TYR 73 HN TYR 73 -5.063 -1.329 9.080 487 HA TYR 73 HA TYR 73 -5.049 -1.591 6.111 488 1HB TYR 73 2HB TYR 73 -6.136 0.573 7.870 489 2HB TYR 73 3HB TYR 73 -6.055 0.617 6.120 490 HD1 TYR 73 HD1 TYR 73 -7.079 -1.305 4.759 491 HD2 TYR 73 HD2 TYR 73 -8.084 -0.480 8.864 492 HE1 TYR 73 HE1 TYR 73 -9.372 -2.066 4.352 493 HE2 TYR 73 HE2 TYR 73 -10.388 -1.220 8.455 494 HH TYR 73 HOH TYR 73 -11.956 -1.390 6.124 495 H VAL 74 HN VAL 74 -4.166 0.138 4.853 496 HA VAL 74 HA VAL 74 -1.827 1.479 5.843 497 HB VAL 74 HB VAL 74 -1.779 -1.221 4.888 498 1HG1 VAL 74 3HG1 VAL 74 -1.670 -0.440 2.576 499 2HG1 VAL 74 1HG1 VAL 74 -0.192 0.483 2.956 500 3HG1 VAL 74 2HG1 VAL 74 -0.206 -1.274 3.105 501 1HG2 VAL 74 1HG2 VAL 74 -0.363 -0.228 6.672 502 2HG2 VAL 74 2HG2 VAL 74 0.588 -1.112 5.468 503 3HG2 VAL 74 3HG2 VAL 74 0.542 0.651 5.427 504 H LEU 75 HN LEU 75 -0.741 2.624 3.946 505 HA LEU 75 HA LEU 75 -2.794 3.662 2.059 506 1HB LEU 75 2HB LEU 75 -1.975 4.911 3.985 507 2HB LEU 75 3HB LEU 75 -0.361 4.970 3.284 508 HG LEU 75 HG LEU 75 -2.512 5.890 1.436 509 1HD1 LEU 75 1HD1 LEU 75 -2.267 7.108 4.188 510 2HD1 LEU 75 2HD1 LEU 75 -2.619 8.136 2.804 511 3HD1 LEU 75 3HD1 LEU 75 -3.690 6.773 3.188 512 1HD2 LEU 75 2HD2 LEU 75 0.068 7.140 2.488 513 2HD2 LEU 75 3HD2 LEU 75 -0.149 6.154 1.035 514 3HD2 LEU 75 1HD2 LEU 75 -0.905 7.752 1.131 515 H THR 76 HN THR 76 -2.453 2.811 0.011 516 HA THR 76 HA THR 76 0.066 1.611 -0.712 517 HB THR 76 HB THR 76 -1.477 1.093 -2.762 518 HG1 THR 76 HG1 THR 76 -2.893 2.886 -2.324 519 1HG2 THR 76 2HG2 THR 76 -2.204 0.328 0.104 520 2HG2 THR 76 3HG2 THR 76 -2.916 -0.420 -1.327 521 3HG2 THR 76 1HG2 THR 76 -1.168 -0.558 -1.035 522 H CYS 77 HN CYS 77 0.688 4.244 -0.425 523 HA CYS 77 HA CYS 77 1.042 5.309 -3.191 524 1HB CYS 77 2HB CYS 77 0.159 7.344 -1.246 525 2HB CYS 77 3HB CYS 77 -0.297 7.054 -2.913 526 H HIS 78 HN HIS 78 1.465 6.096 0.231 527 HA HIS 78 HA HIS 78 4.291 6.914 -0.212 528 1HB HIS 78 2HB HIS 78 2.210 8.125 1.647 529 2HB HIS 78 3HB HIS 78 3.945 8.454 1.711 530 HD1 HIS 78 HND HIS 78 1.772 8.428 -1.505 531 HD2 HIS 78 HD HIS 78 4.088 10.933 0.957 532 HE1 HIS 78 HE HIS 78 1.946 10.655 -2.706 533 H ALA 79 HN ALA 79 4.271 4.413 0.100 534 HA ALA 79 HA ALA 79 4.707 3.863 2.977 535 1HB ALA 79 2HB ALA 79 3.011 2.133 1.125 536 2HB ALA 79 3HB ALA 79 3.552 1.719 2.771 537 3HB ALA 79 1HB ALA 79 2.437 3.070 2.524 538 H TYR 80 HN TYR 80 6.512 2.749 3.300 539 HA TYR 80 HA TYR 80 8.123 1.825 0.963 540 1HB TYR 80 2HB TYR 80 8.795 2.707 3.790 541 2HB TYR 80 3HB TYR 80 9.935 2.052 2.629 542 HD1 TYR 80 HD1 TYR 80 9.927 3.281 0.244 543 HD2 TYR 80 HD2 TYR 80 8.592 5.063 3.932 544 HE1 TYR 80 HE1 TYR 80 10.241 5.552 -0.730 545 HE2 TYR 80 HE2 TYR 80 9.000 7.310 3.002 546 HH TYR 80 HOH TYR 80 9.569 8.515 1.133 547 HA PRO 81 HA PRO 81 7.356 -2.210 2.791 548 1HB PRO 81 2HB PRO 81 8.807 -3.670 0.897 549 2HB PRO 81 3HB PRO 81 7.090 -3.195 0.790 550 1HG PRO 81 2HG PRO 81 9.420 -2.061 -0.678 551 2HG PRO 81 3HG PRO 81 7.661 -1.942 -1.005 552 1HD PRO 81 2HD PRO 81 9.280 0.062 0.096 553 2HD PRO 81 3HD PRO 81 7.518 0.054 -0.131 554 H THR 82 HN THR 82 8.424 -2.700 4.672 555 HA THR 82 HA THR 82 11.330 -2.290 4.810 556 HB THR 82 HB THR 82 10.816 -2.796 7.258 557 HG1 THR 82 HG1 THR 82 8.711 -3.843 6.694 558 1HG2 THR 82 2HG2 THR 82 11.005 -0.486 6.338 559 2HG2 THR 82 3HG2 THR 82 9.279 -0.512 5.934 560 3HG2 THR 82 1HG2 THR 82 9.791 -0.593 7.627 561 H SER 83 HN SER 83 9.134 -4.878 4.150 562 HA SER 83 HA SER 83 11.257 -6.782 3.951 563 1HB SER 83 2HB SER 83 8.985 -7.332 5.918 564 2HB SER 83 3HB SER 83 10.284 -8.463 5.490 565 HG SER 83 HOG SER 83 11.536 -6.333 6.280 566 H ASP 84 HN ASP 84 9.945 -9.046 3.431 567 HA ASP 84 HA ASP 84 8.178 -8.726 1.186 568 1HB ASP 84 2HB ASP 84 7.753 -11.126 1.661 569 2HB ASP 84 3HB ASP 84 9.457 -10.723 1.418 570 H VAL 85 HN VAL 85 6.125 -8.074 1.355 571 HA VAL 85 HA VAL 85 4.552 -8.493 3.806 572 HB VAL 85 HB VAL 85 5.497 -6.261 3.997 573 1HG1 VAL 85 3HG1 VAL 85 5.209 -6.081 1.207 574 2HG1 VAL 85 1HG1 VAL 85 4.112 -4.860 1.859 575 3HG1 VAL 85 2HG1 VAL 85 5.829 -4.856 2.311 576 1HG2 VAL 85 3HG2 VAL 85 2.508 -6.319 3.486 577 2HG2 VAL 85 1HG2 VAL 85 3.421 -6.314 5.023 578 3HG2 VAL 85 2HG2 VAL 85 3.337 -4.886 4.051 579 H VAL 86 HN VAL 86 2.400 -8.645 3.537 580 HA VAL 86 HA VAL 86 1.418 -9.046 0.742 581 HB VAL 86 HB VAL 86 0.581 -10.557 3.250 582 1HG1 VAL 86 3HG1 VAL 86 -1.206 -10.264 1.515 583 2HG1 VAL 86 1HG1 VAL 86 -0.158 -11.028 0.327 584 3HG1 VAL 86 2HG1 VAL 86 -0.723 -11.954 1.725 585 1HG2 VAL 86 1HG2 VAL 86 2.322 -11.438 0.891 586 2HG2 VAL 86 2HG2 VAL 86 2.823 -11.332 2.590 587 3HG2 VAL 86 3HG2 VAL 86 1.638 -12.548 2.097 588 H ILE 87 HN ILE 87 -0.119 -7.527 0.313 589 HA ILE 87 HA ILE 87 -1.911 -6.673 2.459 590 HB ILE 87 HB ILE 87 -0.326 -5.032 2.618 591 1HG1 ILE 87 2HG1 ILE 87 -2.674 -4.094 1.890 592 2HG1 ILE 87 3HG1 ILE 87 -1.291 -3.017 2.047 593 1HG2 ILE 87 1HG2 ILE 87 0.255 -5.084 -0.264 594 2HG2 ILE 87 2HG2 ILE 87 0.837 -3.833 0.855 595 3HG2 ILE 87 3HG2 ILE 87 1.314 -5.519 1.087 596 1HD1 ILE 87 HD3 ILE 87 -1.841 -4.384 -0.575 597 2HD1 ILE 87 HD1 ILE 87 -2.652 -2.884 -0.167 598 3HD1 ILE 87 HD2 ILE 87 -0.889 -2.928 -0.242 599 H GLU 88 HN GLU 88 -3.914 -5.855 1.658 600 HA GLU 88 HA GLU 88 -4.618 -6.654 -1.156 601 1HB GLU 88 2HB GLU 88 -6.427 -5.658 1.002 602 2HB GLU 88 3HB GLU 88 -6.897 -6.519 -0.473 603 1HG GLU 88 2HG GLU 88 -6.100 -8.597 0.482 604 2HG GLU 88 3HG GLU 88 -5.377 -7.736 1.849 605 H THR 89 HN THR 89 -4.637 -4.966 -2.660 606 HA THR 89 HA THR 89 -4.482 -2.181 -1.786 607 HB THR 89 HB THR 89 -4.700 -2.072 -4.518 608 HG1 THR 89 HG1 THR 89 -5.011 -4.182 -5.030 609 1HG2 THR 89 1HG2 THR 89 -2.372 -3.023 -2.856 610 2HG2 THR 89 2HG2 THR 89 -2.271 -2.562 -4.572 611 3HG2 THR 89 3HG2 THR 89 -2.755 -1.361 -3.366 612 H HIS 90 HN HIS 90 -6.010 -0.653 -3.220 613 HA HIS 90 HA HIS 90 -8.020 0.178 -3.720 614 1HB HIS 90 2HB HIS 90 -9.235 -2.576 -3.937 615 2HB HIS 90 3HB HIS 90 -9.514 -1.150 -4.942 616 HD1 HIS 90 HND HIS 90 -7.594 -0.898 -6.963 617 HD2 HIS 90 HD HIS 90 -7.364 -4.227 -4.418 618 HE1 HIS 90 HE HIS 90 -5.785 -2.476 -7.914 619 H LYS 91 HN LYS 91 -7.613 0.252 -1.001 620 HA LYS 91 HA LYS 91 -10.245 -0.558 0.221 621 1HB LYS 91 2HB LYS 91 -7.537 -0.267 1.537 622 2HB LYS 91 3HB LYS 91 -9.009 -0.854 2.292 623 1HG LYS 91 2HG LYS 91 -7.637 -2.209 -0.070 624 2HG LYS 91 3HG LYS 91 -7.514 -2.713 1.608 625 1HD LYS 91 2HD LYS 91 -9.694 -3.271 1.811 626 2HD LYS 91 3HD LYS 91 -10.197 -2.557 0.295 627 1HE LYS 91 2HE LYS 91 -9.431 -4.136 -1.080 628 2HE LYS 91 3HE LYS 91 -8.150 -4.658 0.014 629 1HZ LYS 91 3HNZ LYS 91 -10.944 -5.077 0.762 630 2HZ LYS 91 1HNZ LYS 91 -10.207 -6.129 -0.284 631 3HZ LYS 91 2HNZ LYS 91 -9.575 -5.949 1.202 632 H GLU 92 HN GLU 92 -9.303 2.106 -1.066 633 HA GLU 92 HA GLU 92 -9.454 4.216 0.736 634 1HB GLU 92 2HB GLU 92 -9.283 4.394 -1.720 635 2HB GLU 92 3HB GLU 92 -10.933 3.848 -1.935 636 1HG GLU 92 2HG GLU 92 -10.351 6.275 -0.214 637 2HG GLU 92 3HG GLU 92 -10.374 6.389 -1.994 638 H GLU 93 HN GLU 93 -12.351 2.891 -0.820 639 HA GLU 93 HA GLU 93 -13.947 3.923 1.249 640 1HB GLU 93 2HB GLU 93 -15.816 2.975 -0.139 641 2HB GLU 93 3HB GLU 93 -14.634 3.869 -1.097 642 1HG GLU 93 2HG GLU 93 -13.558 1.628 -1.722 643 2HG GLU 93 3HG GLU 93 -14.912 0.842 -0.900 644 H GLU 94 HN GLU 94 -11.997 1.587 1.995 645 HA GLU 94 HA GLU 94 -13.999 0.042 3.563 646 1HB GLU 94 2HB GLU 94 -11.254 -0.846 2.578 647 2HB GLU 94 3HB GLU 94 -12.183 -1.603 3.864 648 1HG GLU 94 2HG GLU 94 -14.076 -1.857 2.083 649 2HG GLU 94 3HG GLU 94 -12.762 -1.642 0.921 650 H ILE 95 HN ILE 95 -11.301 2.369 3.584 651 HA ILE 95 HA ILE 95 -10.877 1.789 6.418 652 HB ILE 95 HB ILE 95 -9.100 3.369 6.393 653 1HG1 ILE 95 2HG1 ILE 95 -9.466 3.666 3.396 654 2HG1 ILE 95 3HG1 ILE 95 -10.055 4.846 4.603 655 1HG2 ILE 95 3HG2 ILE 95 -8.777 1.073 5.914 656 2HG2 ILE 95 1HG2 ILE 95 -8.889 1.310 4.160 657 3HG2 ILE 95 2HG2 ILE 95 -7.554 2.034 5.088 658 1HD1 ILE 95 HD3 ILE 95 -7.158 4.104 4.499 659 2HD1 ILE 95 HD1 ILE 95 -7.924 5.398 3.550 660 3HD1 ILE 95 HD2 ILE 95 -7.967 5.437 5.337 661 H VAL 96 HN VAL 96 -12.264 4.347 4.368 662 HA VAL 96 HA VAL 96 -12.786 6.005 6.744 663 HB VAL 96 HB VAL 96 -13.684 7.626 5.223 664 1HG1 VAL 96 3HG1 VAL 96 -11.150 7.372 5.583 665 2HG1 VAL 96 1HG1 VAL 96 -11.109 6.644 3.959 666 3HG1 VAL 96 2HG1 VAL 96 -11.667 8.301 4.167 667 1HG2 VAL 96 2HG2 VAL 96 -14.745 6.202 3.522 668 2HG2 VAL 96 3HG2 VAL 96 -13.610 7.338 2.771 669 3HG2 VAL 96 1HG2 VAL 96 -13.156 5.640 2.969 No H/Q in entry = 668 Start of MODEL 16 1 1H ALA 1 1HN ALA 1 14.622 -3.777 0.847 2 2H ALA 1 2HN ALA 1 15.933 -3.370 1.680 3 2H ALA 1 3HN ALA 1 15.933 -3.370 1.680 4 HA ALA 1 HA ALA 1 16.529 -3.406 -0.556 5 1HB ALA 1 1HB ALA 1 17.464 -5.911 0.811 6 2HB ALA 1 2HB ALA 1 18.212 -5.123 -0.613 7 3HB ALA 1 3HB ALA 1 18.156 -4.267 0.960 8 H THR 2 HN THR 2 14.519 -3.564 -1.613 9 HA THR 2 HA THR 2 13.172 -4.360 -3.213 10 HB THR 2 HB THR 2 15.594 -6.112 -3.847 11 HG1 THR 2 HG1 THR 2 15.747 -3.643 -3.539 12 1HG2 THR 2 1HG2 THR 2 13.377 -4.984 -5.617 13 2HG2 THR 2 2HG2 THR 2 14.900 -5.661 -6.226 14 3HG2 THR 2 3HG2 THR 2 13.777 -6.699 -5.340 15 H TYR 3 HN TYR 3 11.659 -5.257 -1.750 16 HA TYR 3 HA TYR 3 11.813 -8.194 -1.263 17 1HB TYR 3 2HB TYR 3 9.971 -6.093 -0.102 18 2HB TYR 3 3HB TYR 3 10.093 -7.781 0.402 19 HD1 TYR 3 HD2 TYR 3 12.565 -8.604 1.036 20 HD2 TYR 3 HD1 TYR 3 11.224 -4.510 1.113 21 HE1 TYR 3 HE2 TYR 3 14.398 -8.034 2.589 22 HE2 TYR 3 HE1 TYR 3 12.987 -3.972 2.759 23 HH TYR 3 HOH TYR 3 15.292 -6.401 3.986 24 H ASN 4 HN ASN 4 9.903 -9.487 -1.380 25 HA ASN 4 HA ASN 4 8.397 -9.165 -3.858 26 1HB ASN 4 2HB ASN 4 9.495 -11.269 -3.065 27 2HB ASN 4 3HB ASN 4 8.406 -11.338 -1.705 28 1HD2 ASN 4 2HND ASN 4 5.560 -12.366 -3.561 29 2HD2 ASN 4 1HND ASN 4 6.083 -11.267 -2.281 30 H VAL 5 HN VAL 5 7.051 -7.360 -3.317 31 HA VAL 5 HA VAL 5 5.354 -7.512 -0.879 32 HB VAL 5 HB VAL 5 5.479 -5.489 -3.144 33 1HG1 VAL 5 2HG1 VAL 5 3.757 -5.606 -0.629 34 2HG1 VAL 5 3HG1 VAL 5 4.134 -4.086 -1.445 35 3HG1 VAL 5 1HG1 VAL 5 3.263 -5.365 -2.297 36 1HG2 VAL 5 3HG2 VAL 5 6.603 -5.476 -0.307 37 2HG2 VAL 5 1HG2 VAL 5 7.507 -5.400 -1.825 38 3HG2 VAL 5 2HG2 VAL 5 6.477 -4.041 -1.343 39 H LYS 6 HN LYS 6 3.421 -8.805 -0.976 40 HA LYS 6 HA LYS 6 2.186 -9.005 -3.620 41 1HB LYS 6 2HB LYS 6 2.395 -10.949 -2.041 42 2HB LYS 6 3HB LYS 6 1.099 -10.177 -1.108 43 1HG LYS 6 2HG LYS 6 -0.188 -9.955 -3.387 44 2HG LYS 6 3HG LYS 6 1.089 -10.963 -4.071 45 1HD LYS 6 2HD LYS 6 -1.048 -11.624 -2.072 46 2HD LYS 6 3HD LYS 6 -0.662 -12.266 -3.689 47 1HE LYS 6 2HE LYS 6 1.599 -13.040 -2.473 48 2HE LYS 6 3HE LYS 6 0.661 -12.792 -1.026 49 1HZ LYS 6 2HNZ LYS 6 -1.066 -14.179 -2.520 50 2HZ LYS 6 3HNZ LYS 6 0.287 -14.562 -3.355 51 3HZ LYS 6 1HNZ LYS 6 0.175 -15.030 -1.771 52 H LEU 7 HN LEU 7 0.553 -7.953 -4.369 53 HA LEU 7 HA LEU 7 -1.123 -6.246 -2.602 54 1HB LEU 7 2HB LEU 7 -0.344 -6.109 -5.529 55 2HB LEU 7 3HB LEU 7 -1.479 -5.007 -4.797 56 HG LEU 7 HG LEU 7 1.510 -5.311 -4.374 57 1HD1 LEU 7 2HD1 LEU 7 -0.248 -3.069 -5.430 58 2HD1 LEU 7 3HD1 LEU 7 1.518 -2.966 -5.244 59 3HD1 LEU 7 1HD1 LEU 7 0.801 -4.167 -6.342 60 1HD2 LEU 7 3HD2 LEU 7 -0.422 -3.691 -2.698 61 2HD2 LEU 7 1HD2 LEU 7 0.866 -4.821 -2.207 62 3HD2 LEU 7 2HD2 LEU 7 1.287 -3.244 -2.873 63 H ILE 8 HN ILE 8 -2.807 -7.530 -2.049 64 HA ILE 8 HA ILE 8 -4.082 -9.297 -4.013 65 HB ILE 8 HB ILE 8 -4.708 -8.484 -1.199 66 1HG1 ILE 8 2HG1 ILE 8 -4.099 -11.258 -2.074 67 2HG1 ILE 8 3HG1 ILE 8 -2.770 -10.114 -1.835 68 1HG2 ILE 8 3HG2 ILE 8 -6.214 -10.381 -3.044 69 2HG2 ILE 8 1HG2 ILE 8 -6.489 -10.239 -1.296 70 3HG2 ILE 8 2HG2 ILE 8 -6.844 -8.871 -2.353 71 1HD1 ILE 8 HD2 ILE 8 -4.844 -10.813 0.270 72 2HD1 ILE 8 HD3 ILE 8 -3.174 -11.408 0.187 73 3HD1 ILE 8 HD1 ILE 8 -3.479 -9.677 0.442 74 H THR 9 HN THR 9 -4.505 -7.950 -5.738 75 HA THR 9 HA THR 9 -6.120 -5.553 -5.393 76 HB THR 9 HB THR 9 -5.916 -5.546 -7.861 77 HG1 THR 9 HG1 THR 9 -5.607 -7.866 -8.140 78 1HG2 THR 9 3HG2 THR 9 -3.263 -6.022 -6.404 79 2HG2 THR 9 1HG2 THR 9 -3.446 -5.216 -7.966 80 3HG2 THR 9 2HG2 THR 9 -4.124 -4.454 -6.512 81 HA PRO 10 HA PRO 10 -10.087 -7.459 -5.899 82 1HB PRO 10 2HB PRO 10 -10.568 -5.671 -8.252 83 2HB PRO 10 3HB PRO 10 -11.568 -5.946 -6.784 84 1HG PRO 10 2HG PRO 10 -10.119 -3.747 -7.060 85 2HG PRO 10 3HG PRO 10 -10.196 -4.560 -5.478 86 1HD PRO 10 2HD PRO 10 -7.992 -4.603 -7.414 87 2HD PRO 10 3HD PRO 10 -7.957 -4.579 -5.669 88 H ASP 11 HN ASP 11 -8.311 -6.860 -8.907 89 HA ASP 11 HA ASP 11 -9.252 -8.564 -10.821 90 1HB ASP 11 2HB ASP 11 -6.433 -7.740 -9.958 91 2HB ASP 11 3HB ASP 11 -6.752 -8.595 -11.442 92 H GLY 12 HN GLY 12 -7.270 -9.223 -8.020 93 1HA GLY 12 2HA GLY 12 -7.488 -11.180 -6.902 94 2HA GLY 12 3HA GLY 12 -7.463 -12.173 -8.387 95 H GLU 13 HN GLU 13 -5.542 -9.782 -6.625 96 HA GLU 13 HA GLU 13 -3.404 -9.597 -5.948 97 1HB GLU 13 2HB GLU 13 -3.236 -12.479 -6.740 98 2HB GLU 13 3HB GLU 13 -1.910 -11.592 -6.015 99 1HG GLU 13 2HG GLU 13 -2.992 -11.312 -3.969 100 2HG GLU 13 3HG GLU 13 -4.575 -11.817 -4.612 101 H VAL 14 HN VAL 14 -1.219 -9.361 -6.644 102 HA VAL 14 HA VAL 14 -0.697 -9.872 -9.509 103 HB VAL 14 HB VAL 14 -1.550 -7.674 -9.485 104 1HG1 VAL 14 3HG1 VAL 14 -1.189 -6.912 -7.291 105 2HG1 VAL 14 1HG1 VAL 14 0.571 -6.715 -7.583 106 3HG1 VAL 14 2HG1 VAL 14 -0.609 -5.745 -8.472 107 1HG2 VAL 14 3HG2 VAL 14 0.435 -8.337 -10.965 108 2HG2 VAL 14 1HG2 VAL 14 0.174 -6.603 -10.746 109 3HG2 VAL 14 2HG2 VAL 14 1.459 -7.424 -9.830 110 H GLU 15 HN GLU 15 0.881 -8.436 -6.687 111 HA GLU 15 HA GLU 15 2.743 -8.949 -5.568 112 1HB GLU 15 2HB GLU 15 1.871 -11.440 -6.232 113 2HB GLU 15 3HB GLU 15 3.424 -11.435 -7.081 114 1HG GLU 15 2HG GLU 15 4.690 -11.232 -5.191 115 2HG GLU 15 3HG GLU 15 3.363 -10.718 -4.163 116 H PHE 16 HN PHE 16 4.774 -8.145 -5.644 117 HA PHE 16 HA PHE 16 6.245 -8.027 -8.161 118 1HB PHE 16 2HB PHE 16 5.882 -5.944 -8.836 119 2HB PHE 16 3HB PHE 16 4.268 -6.482 -8.494 120 HD1 PHE 16 HD1 PHE 16 3.541 -5.935 -5.911 121 HD2 PHE 16 HD2 PHE 16 6.803 -4.033 -7.980 122 HE1 PHE 16 HE1 PHE 16 3.524 -4.098 -4.296 123 HE2 PHE 16 HE2 PHE 16 6.724 -2.198 -6.416 124 HZ PHE 16 HZ PHE 16 4.959 -2.061 -4.676 125 H LYS 17 HN LYS 17 8.087 -6.366 -8.049 126 HA LYS 17 HA LYS 17 9.326 -6.819 -5.393 127 1HB LYS 17 2HB LYS 17 10.312 -7.106 -8.087 128 2HB LYS 17 3HB LYS 17 11.246 -5.871 -7.259 129 1HG LYS 17 2HG LYS 17 12.338 -7.976 -6.768 130 2HG LYS 17 3HG LYS 17 11.575 -7.335 -5.314 131 1HD LYS 17 2HD LYS 17 10.795 -9.443 -5.085 132 2HD LYS 17 3HD LYS 17 9.512 -8.838 -6.117 133 1HE LYS 17 2HE LYS 17 11.977 -10.397 -7.036 134 2HE LYS 17 3HE LYS 17 10.337 -11.041 -6.888 135 1HZ LYS 17 3HNZ LYS 17 9.635 -9.482 -8.589 136 2HZ LYS 17 1HNZ LYS 17 11.156 -8.887 -8.728 137 3HZ LYS 17 2HNZ LYS 17 10.845 -10.445 -9.154 138 H CYS 18 HN CYS 18 9.538 -5.256 -4.033 139 HA CYS 18 HA CYS 18 9.655 -2.429 -5.060 140 1HB CYS 18 2HB CYS 18 7.405 -3.180 -4.166 141 2HB CYS 18 3HB CYS 18 8.208 -3.235 -2.595 142 HG CYS 18 HSG CYS 18 6.994 -0.908 -2.845 143 H ASP 19 HN ASP 19 11.493 -1.437 -4.547 144 HA ASP 19 HA ASP 19 13.309 -2.262 -2.584 145 1HB ASP 19 2HB ASP 19 13.040 0.540 -3.683 146 2HB ASP 19 3HB ASP 19 14.490 -0.274 -3.113 147 H ASP 20 HN ASP 20 13.702 -1.532 -0.532 148 HA ASP 20 HA ASP 20 11.628 -0.480 1.135 149 1HB ASP 20 2HB ASP 20 13.693 -0.270 2.750 150 2HB ASP 20 3HB ASP 20 13.086 -1.841 2.261 151 H ASP 21 HN ASP 21 14.099 0.880 -0.854 152 HA ASP 21 HA ASP 21 13.933 3.568 0.341 153 1HB ASP 21 2HB ASP 21 15.465 2.430 -2.038 154 2HB ASP 21 3HB ASP 21 15.523 4.118 -1.523 155 H VAL 22 HN VAL 22 11.762 1.882 -1.620 156 HA VAL 22 HA VAL 22 10.979 4.393 -2.987 157 HB VAL 22 HB VAL 22 12.335 2.600 -4.405 158 1HG1 VAL 22 2HG1 VAL 22 10.667 0.725 -3.824 159 2HG1 VAL 22 3HG1 VAL 22 9.517 1.560 -4.878 160 3HG1 VAL 22 1HG1 VAL 22 11.075 0.991 -5.516 161 1HG2 VAL 22 1HG2 VAL 22 9.805 3.965 -5.332 162 2HG2 VAL 22 2HG2 VAL 22 11.429 4.678 -5.274 163 3HG2 VAL 22 3HG2 VAL 22 11.084 3.342 -6.395 164 H TYR 23 HN TYR 23 8.726 4.454 -3.651 165 HA TYR 23 HA TYR 23 7.211 3.463 -1.435 166 1HB TYR 23 2HB TYR 23 6.300 5.000 -3.871 167 2HB TYR 23 3HB TYR 23 5.382 4.758 -2.390 168 HD1 TYR 23 HD1 TYR 23 7.063 5.338 -0.163 169 HD2 TYR 23 HD2 TYR 23 7.006 7.249 -4.035 170 HE1 TYR 23 HE1 TYR 23 7.489 7.527 0.888 171 HE2 TYR 23 HE2 TYR 23 7.708 9.365 -2.997 172 HH TYR 23 HOH TYR 23 7.629 10.516 -0.973 173 H VAL 24 HN VAL 24 5.427 2.019 -1.462 174 HA VAL 24 HA VAL 24 5.324 0.005 -3.543 175 HB VAL 24 HB VAL 24 3.158 0.497 -1.484 176 1HG1 VAL 24 2HG1 VAL 24 2.934 -1.316 -3.328 177 2HG1 VAL 24 3HG1 VAL 24 4.343 -2.083 -2.555 178 3HG1 VAL 24 1HG1 VAL 24 2.826 -1.903 -1.654 179 1HG2 VAL 24 3HG2 VAL 24 5.839 -0.801 -1.020 180 2HG2 VAL 24 1HG2 VAL 24 4.964 0.356 0.015 181 3HG2 VAL 24 2HG2 VAL 24 4.407 -1.298 -0.095 182 H LEU 25 HN LEU 25 5.160 1.828 -5.089 183 HA LEU 25 HA LEU 25 2.617 1.743 -6.390 184 1HB LEU 25 2HB LEU 25 1.953 3.481 -4.900 185 2HB LEU 25 3HB LEU 25 3.458 4.382 -5.120 186 HG LEU 25 HG LEU 25 1.419 5.288 -6.238 187 1HD1 LEU 25 2HD1 LEU 25 3.787 5.819 -6.997 188 2HD1 LEU 25 3HD1 LEU 25 3.529 4.690 -8.351 189 3HD1 LEU 25 1HD1 LEU 25 2.522 6.078 -8.189 190 1HD2 LEU 25 3HD2 LEU 25 0.401 3.169 -6.951 191 2HD2 LEU 25 1HD2 LEU 25 0.573 4.311 -8.299 192 3HD2 LEU 25 2HD2 LEU 25 1.667 2.934 -8.154 193 H ASP 26 HN ASP 26 5.698 3.612 -6.018 194 HA ASP 26 HA ASP 26 6.025 4.308 -8.709 195 1HB ASP 26 2HB ASP 26 7.899 3.838 -6.391 196 2HB ASP 26 3HB ASP 26 8.565 4.178 -7.996 197 H GLN 27 HN GLN 27 7.688 1.574 -7.096 198 HA GLN 27 HA GLN 27 8.572 0.332 -9.523 199 1HB GLN 27 2HB GLN 27 8.194 -0.541 -6.665 200 2HB GLN 27 3HB GLN 27 8.463 -1.784 -7.902 201 1HG GLN 27 2HG GLN 27 10.340 0.579 -7.671 202 2HG GLN 27 3HG GLN 27 10.459 -0.848 -6.618 203 1HE2 GLN 27 2HNE GLN 27 12.660 -2.210 -8.984 204 2HE2 GLN 27 1HNE GLN 27 12.475 -1.504 -7.370 205 H ALA 28 HN ALA 28 5.498 0.294 -7.806 206 HA ALA 28 HA ALA 28 4.390 -2.040 -9.018 207 1HB ALA 28 1HB ALA 28 3.589 -0.312 -7.050 208 2HB ALA 28 2HB ALA 28 2.515 0.152 -8.405 209 3HB ALA 28 3HB ALA 28 2.574 -1.521 -7.805 210 H GLU 29 HN GLU 29 3.990 1.452 -9.898 211 HA GLU 29 HA GLU 29 2.621 1.035 -12.280 212 1HB GLU 29 2HB GLU 29 4.428 3.348 -11.495 213 2HB GLU 29 3HB GLU 29 3.542 3.259 -13.020 214 1HG GLU 29 2HG GLU 29 1.394 3.027 -11.743 215 2HG GLU 29 3HG GLU 29 2.296 3.307 -10.263 216 H GLU 30 HN GLU 30 6.185 1.094 -11.624 217 HA GLU 30 HA GLU 30 7.073 0.597 -14.253 218 1HB GLU 30 2HB GLU 30 8.328 -0.386 -11.690 219 2HB GLU 30 3HB GLU 30 9.069 -0.444 -13.273 220 1HG GLU 30 2HG GLU 30 8.115 2.204 -12.120 221 2HG GLU 30 3HG GLU 30 9.704 1.522 -11.760 222 H GLU 31 HN GLU 31 5.874 -1.851 -11.928 223 HA GLU 31 HA GLU 31 6.456 -3.978 -13.866 224 1HB GLU 31 2HB GLU 31 4.660 -4.143 -11.438 225 2HB GLU 31 3HB GLU 31 5.462 -5.467 -12.298 226 1HG GLU 31 2HG GLU 31 7.434 -3.479 -11.556 227 2HG GLU 31 3HG GLU 31 6.424 -3.750 -10.194 228 H GLY 32 HN GLY 32 3.893 -1.814 -13.186 229 1HA GLY 32 2HA GLY 32 2.407 -1.273 -15.074 230 2HA GLY 32 3HA GLY 32 2.127 -3.001 -15.322 231 H ILE 33 HN ILE 33 2.359 -2.125 -11.989 232 HA ILE 33 HA ILE 33 -0.405 -2.860 -11.563 233 HB ILE 33 HB ILE 33 1.718 -1.794 -9.725 234 1HG1 ILE 33 2HG1 ILE 33 0.622 -4.554 -10.151 235 2HG1 ILE 33 3HG1 ILE 33 2.126 -4.005 -10.917 236 1HG2 ILE 33 2HG2 ILE 33 -1.008 -3.044 -9.108 237 2HG2 ILE 33 3HG2 ILE 33 0.237 -2.723 -7.894 238 3HG2 ILE 33 1HG2 ILE 33 -0.512 -1.384 -8.719 239 1HD1 ILE 33 HD3 ILE 33 2.151 -3.782 -7.964 240 2HD1 ILE 33 HD1 ILE 33 2.277 -5.390 -8.699 241 3HD1 ILE 33 HD2 ILE 33 3.419 -4.109 -9.136 242 H ASP 34 HN ASP 34 -2.000 -1.544 -11.993 243 HA ASP 34 HA ASP 34 -1.795 1.396 -11.609 244 1HB ASP 34 2HB ASP 34 -2.891 0.298 -13.644 245 2HB ASP 34 3HB ASP 34 -4.183 -0.209 -12.537 246 H ILE 35 HN ILE 35 -1.445 0.957 -9.182 247 HA ILE 35 HA ILE 35 -3.637 -0.053 -7.698 248 HB ILE 35 HB ILE 35 -1.084 0.889 -7.136 249 1HG1 ILE 35 2HG1 ILE 35 -2.754 -0.098 -4.914 250 2HG1 ILE 35 3HG1 ILE 35 -2.158 -1.096 -6.258 251 1HG2 ILE 35 3HG2 ILE 35 -1.989 3.166 -6.648 252 2HG2 ILE 35 1HG2 ILE 35 -2.846 2.490 -5.263 253 3HG2 ILE 35 2HG2 ILE 35 -1.093 2.436 -5.338 254 1HD1 ILE 35 HD1 ILE 35 -0.339 0.593 -4.471 255 2HD1 ILE 35 HD2 ILE 35 -0.653 -1.119 -4.247 256 3HD1 ILE 35 HD3 ILE 35 0.151 -0.553 -5.721 257 HA PRO 36 HA PRO 36 -6.504 3.222 -8.000 258 1HB PRO 36 2HB PRO 36 -7.927 3.144 -5.655 259 2HB PRO 36 3HB PRO 36 -7.887 1.814 -6.840 260 1HG PRO 36 2HG PRO 36 -6.321 1.979 -4.259 261 2HG PRO 36 3HG PRO 36 -7.196 0.637 -4.969 262 1HD PRO 36 2HD PRO 36 -4.485 1.114 -5.177 263 2HD PRO 36 3HD PRO 36 -5.322 0.118 -6.346 264 H TYR 37 HN TYR 37 -4.299 4.573 -7.889 265 HA TYR 37 HA TYR 37 -4.157 6.372 -5.559 266 1HB TYR 37 2HB TYR 37 -2.353 7.428 -6.751 267 2HB TYR 37 3HB TYR 37 -2.084 5.692 -6.555 268 HD1 TYR 37 HD1 TYR 37 -2.697 8.416 -9.042 269 HD2 TYR 37 HD2 TYR 37 -1.791 4.254 -8.487 270 HE1 TYR 37 HE1 TYR 37 -2.936 8.015 -11.498 271 HE2 TYR 37 HE2 TYR 37 -1.968 3.869 -10.898 272 HH TYR 37 HOH TYR 37 -3.098 4.624 -12.726 273 H SER 38 HN SER 38 -4.347 8.656 -5.739 274 HA SER 38 HA SER 38 -5.074 9.771 -8.334 275 1HB SER 38 2HB SER 38 -7.214 9.236 -6.723 276 2HB SER 38 3HB SER 38 -6.815 10.866 -6.164 277 HG SER 38 HOG SER 38 -7.302 9.976 -8.829 278 H CYS 39 HN CYS 39 -2.974 9.878 -5.863 279 HA CYS 39 HA CYS 39 -2.245 12.604 -6.520 280 1HB CYS 39 2HB CYS 39 -2.741 13.665 -4.750 281 2HB CYS 39 3HB CYS 39 -3.856 12.384 -4.344 282 H ARG 40 HN ARG 40 -1.235 10.312 -3.984 283 HA ARG 40 HA ARG 40 0.735 9.441 -3.394 284 1HB ARG 40 2HB ARG 40 1.828 10.194 -6.154 285 2HB ARG 40 3HB ARG 40 2.740 9.470 -4.843 286 1HG ARG 40 2HG ARG 40 2.210 7.610 -6.007 287 2HG ARG 40 3HG ARG 40 0.947 7.639 -4.786 288 1HD ARG 40 2HD ARG 40 -0.231 7.119 -6.585 289 2HD ARG 40 3HD ARG 40 -0.496 8.859 -6.666 290 HE ARG 40 HNE ARG 40 0.980 7.019 -8.443 291 1HH1 ARG 40 2HN2 ARG 40 0.367 10.497 -7.868 292 2HH1 ARG 40 1HN2 ARG 40 0.507 10.873 -9.551 293 1HH2 ARG 40 2HN1 ARG 40 1.373 7.481 -10.503 294 2HH2 ARG 40 1HN1 ARG 40 1.182 9.109 -11.113 295 H ALA 41 HN ALA 41 0.202 11.266 -1.942 296 HA ALA 41 HA ALA 41 2.566 12.274 -0.897 297 1HB ALA 41 1HB ALA 41 1.020 14.399 -2.443 298 2HB ALA 41 2HB ALA 41 2.235 14.747 -1.195 299 3HB ALA 41 3HB ALA 41 2.724 13.942 -2.677 300 H GLY 42 HN GLY 42 1.126 11.075 0.825 301 1HA GLY 42 2HA GLY 42 -0.275 11.058 2.483 302 2HA GLY 42 3HA GLY 42 0.416 12.631 2.800 303 H SER 43 HN SER 43 -0.951 14.511 2.224 304 HA SER 43 HA SER 43 -3.378 13.885 3.573 305 1HB SER 43 2HB SER 43 -2.046 15.809 4.157 306 2HB SER 43 3HB SER 43 -2.278 16.517 2.541 307 HG SER 43 HOG SER 43 -4.501 16.616 2.992 308 H CYS 44 HN CYS 44 -4.316 12.547 1.703 309 HA CYS 44 HA CYS 44 -6.154 14.192 0.006 310 1HB CYS 44 2HB CYS 44 -5.567 12.693 -1.765 311 2HB CYS 44 3HB CYS 44 -4.070 13.170 -0.971 312 H SER 45 HN SER 45 -7.139 11.664 -1.120 313 HA SER 45 HA SER 45 -8.178 9.982 0.909 314 1HB SER 45 2HB SER 45 -9.712 12.094 1.014 315 2HB SER 45 3HB SER 45 -10.374 11.529 -0.523 316 HG SER 45 HOG SER 45 -10.217 10.022 1.896 317 H SER 46 HN SER 46 -6.640 9.009 -0.921 318 HA SER 46 HA SER 46 -8.414 7.383 -2.579 319 1HB SER 46 2HB SER 46 -6.316 9.132 -3.925 320 2HB SER 46 3HB SER 46 -7.232 7.815 -4.684 321 HG SER 46 HOG SER 46 -9.024 9.378 -3.607 322 H CYS 47 HN CYS 47 -7.265 6.183 -0.663 323 HA CYS 47 HA CYS 47 -4.669 5.049 -1.623 324 1HB CYS 47 2HB CYS 47 -5.092 5.902 1.228 325 2HB CYS 47 3HB CYS 47 -3.578 5.542 0.381 326 H ALA 48 HN ALA 48 -4.355 3.866 0.975 327 HA ALA 48 HA ALA 48 -4.996 2.471 2.516 328 1HB ALA 48 3HB ALA 48 -6.981 3.843 2.617 329 2HB ALA 48 1HB ALA 48 -7.801 2.749 1.492 330 3HB ALA 48 2HB ALA 48 -7.300 2.148 3.075 331 H GLY 49 HN GLY 49 -4.557 0.444 2.740 332 1HA GLY 49 2HA GLY 49 -5.874 -1.605 1.155 333 2HA GLY 49 3HA GLY 49 -4.095 -1.550 1.166 334 H LYS 50 HN LYS 50 -5.624 -3.736 2.250 335 HA LYS 50 HA LYS 50 -5.468 -3.442 5.159 336 1HB LYS 50 2HB LYS 50 -7.324 -4.531 3.691 337 2HB LYS 50 3HB LYS 50 -6.274 -5.935 3.617 338 1HG LYS 50 2HG LYS 50 -6.566 -6.505 5.827 339 2HG LYS 50 3HG LYS 50 -6.658 -4.821 6.347 340 1HD LYS 50 2HD LYS 50 -8.898 -4.765 5.019 341 2HD LYS 50 3HD LYS 50 -8.865 -6.525 5.216 342 1HE LYS 50 2HE LYS 50 -8.624 -6.244 7.690 343 2HE LYS 50 3HE LYS 50 -8.540 -4.499 7.518 344 1HZ LYS 50 1HNZ LYS 50 -10.928 -6.030 6.747 345 2HZ LYS 50 2HNZ LYS 50 -10.728 -5.223 8.171 346 3HZ LYS 50 3HNZ LYS 50 -10.752 -4.385 6.768 347 H VAL 51 HN VAL 51 -3.544 -3.877 6.102 348 HA VAL 51 HA VAL 51 -1.359 -5.343 4.888 349 HB VAL 51 HB VAL 51 -1.935 -4.584 7.819 350 1HG1 VAL 51 3HG1 VAL 51 0.701 -5.348 6.493 351 2HG1 VAL 51 1HG1 VAL 51 0.494 -4.784 8.167 352 3HG1 VAL 51 2HG1 VAL 51 -0.202 -6.331 7.670 353 1HG2 VAL 51 1HG2 VAL 51 -1.824 -2.573 6.378 354 2HG2 VAL 51 2HG2 VAL 51 -0.478 -2.613 7.507 355 3HG2 VAL 51 3HG2 VAL 51 -0.214 -3.091 5.817 356 H VAL 52 HN VAL 52 -1.539 -7.488 4.499 357 HA VAL 52 HA VAL 52 -3.292 -9.172 6.199 358 HB VAL 52 HB VAL 52 -1.608 -9.743 3.759 359 1HG1 VAL 52 2HG1 VAL 52 -3.629 -11.520 5.202 360 2HG1 VAL 52 3HG1 VAL 52 -2.898 -11.881 3.624 361 3HG1 VAL 52 1HG1 VAL 52 -1.880 -11.822 5.066 362 1HG2 VAL 52 3HG2 VAL 52 -4.584 -9.252 4.137 363 2HG2 VAL 52 1HG2 VAL 52 -3.428 -8.327 3.151 364 3HG2 VAL 52 2HG2 VAL 52 -3.890 -9.964 2.673 365 H SER 53 HN SER 53 0.199 -8.692 5.446 366 HA SER 53 HA SER 53 0.912 -9.792 8.032 367 1HB SER 53 2HB SER 53 0.591 -11.881 6.581 368 2HB SER 53 3HB SER 53 1.933 -11.294 5.581 369 HG SER 53 HOG SER 53 1.946 -12.059 8.315 370 H GLY 54 HN GLY 54 3.577 -10.252 7.570 371 1HA GLY 54 2HA GLY 54 5.580 -9.072 7.565 372 2HA GLY 54 3HA GLY 54 5.015 -8.352 6.063 373 H SER 55 HN SER 55 6.054 -6.304 6.661 374 HA SER 55 HA SER 55 4.160 -4.548 7.910 375 1HB SER 55 2HB SER 55 7.015 -4.577 8.976 376 2HB SER 55 3HB SER 55 5.676 -3.559 9.490 377 HG SER 55 HOG SER 55 4.743 -5.926 9.862 378 H ILE 56 HN ILE 56 4.700 -2.318 7.302 379 HA ILE 56 HA ILE 56 7.006 -1.775 5.649 380 HB ILE 56 HB ILE 56 5.685 -0.733 3.928 381 1HG1 ILE 56 2HG1 ILE 56 3.191 -1.766 5.289 382 2HG1 ILE 56 3HG1 ILE 56 3.700 -0.083 5.153 383 1HG2 ILE 56 3HG2 ILE 56 6.202 -3.312 3.876 384 2HG2 ILE 56 1HG2 ILE 56 4.487 -3.477 4.194 385 3HG2 ILE 56 2HG2 ILE 56 5.039 -2.647 2.717 386 1HD1 ILE 56 HD3 ILE 56 3.768 -0.571 2.549 387 2HD1 ILE 56 HD1 ILE 56 2.757 -1.970 2.961 388 3HD1 ILE 56 HD2 ILE 56 2.191 -0.331 3.293 389 H ASP 57 HN ASP 57 7.019 0.731 5.392 390 HA ASP 57 HA ASP 57 5.973 1.989 7.902 391 1HB ASP 57 2HB ASP 57 8.387 1.907 7.964 392 2HB ASP 57 3HB ASP 57 8.519 2.492 6.302 393 H GLN 58 HN GLN 58 4.288 3.220 7.394 394 HA GLN 58 HA GLN 58 4.267 4.754 4.818 395 1HB GLN 58 2HB GLN 58 1.831 4.981 5.366 396 2HB GLN 58 3HB GLN 58 2.385 3.357 4.919 397 1HG GLN 58 2HG GLN 58 2.296 2.634 7.189 398 2HG GLN 58 3HG GLN 58 2.192 4.283 7.803 399 1HE2 GLN 58 2HNE GLN 58 -1.116 2.604 8.004 400 2HE2 GLN 58 1HNE GLN 58 0.509 2.250 8.551 401 H SER 59 HN SER 59 6.073 5.686 6.755 402 HA SER 59 HA SER 59 4.916 7.479 8.573 403 1HB SER 59 2HB SER 59 7.247 6.665 8.686 404 2HB SER 59 3HB SER 59 7.656 7.639 7.264 405 HG SER 59 HOG SER 59 6.703 9.433 8.669 406 H ASP 60 HN ASP 60 4.885 7.896 5.178 407 HA ASP 60 HA ASP 60 4.833 10.789 5.002 408 1HB ASP 60 2HB ASP 60 5.025 9.529 2.990 409 2HB ASP 60 3HB ASP 60 3.644 8.494 3.385 410 H GLN 61 HN GLN 61 2.266 8.394 5.039 411 HA GLN 61 HA GLN 61 0.413 8.083 6.069 412 1HB GLN 61 2HB GLN 61 1.889 8.836 8.074 413 2HB GLN 61 3HB GLN 61 0.909 10.308 8.063 414 1HG GLN 61 2HG GLN 61 -0.003 8.721 9.661 415 2HG GLN 61 3HG GLN 61 -1.147 8.868 8.323 416 1HE2 GLN 61 2HNE GLN 61 -0.913 5.419 7.470 417 2HE2 GLN 61 1HNE GLN 61 -1.805 6.913 7.359 418 H SER 62 HN SER 62 -1.371 8.417 4.913 419 HA SER 62 HA SER 62 -1.912 11.076 3.963 420 1HB SER 62 2HB SER 62 -3.656 9.846 2.585 421 2HB SER 62 3HB SER 62 -2.029 9.216 2.389 422 HG SER 62 HOG SER 62 -3.584 7.592 2.703 423 H PHE 63 HN PHE 63 -4.375 8.815 4.982 424 HA PHE 63 HA PHE 63 -5.295 10.738 7.084 425 1HB PHE 63 2HB PHE 63 -7.518 10.849 6.200 426 2HB PHE 63 3HB PHE 63 -6.398 11.387 4.956 427 HD1 PHE 63 HD1 PHE 63 -5.890 9.887 2.987 428 HD2 PHE 63 HD2 PHE 63 -8.830 8.817 5.956 429 HE1 PHE 63 HE1 PHE 63 -6.436 7.823 1.738 430 HE2 PHE 63 HE2 PHE 63 -9.479 6.876 4.609 431 HZ PHE 63 HZ PHE 63 -8.387 6.449 2.393 432 H LEU 64 HN LEU 64 -4.340 7.646 6.662 433 HA LEU 64 HA LEU 64 -6.573 6.285 7.853 434 1HB LEU 64 2HB LEU 64 -3.652 5.551 7.698 435 2HB LEU 64 3HB LEU 64 -4.821 4.602 8.592 436 HG LEU 64 HG LEU 64 -6.188 4.457 6.448 437 1HD1 LEU 64 3HD1 LEU 64 -3.551 5.462 5.282 438 2HD1 LEU 64 1HD1 LEU 64 -4.780 4.597 4.335 439 3HD1 LEU 64 2HD1 LEU 64 -5.165 6.171 5.035 440 1HD2 LEU 64 3HD2 LEU 64 -3.437 3.188 6.663 441 2HD2 LEU 64 1HD2 LEU 64 -4.947 2.664 7.457 442 3HD2 LEU 64 2HD2 LEU 64 -4.793 2.565 5.686 443 H ASP 65 HN ASP 65 -6.932 5.842 9.999 444 HA ASP 65 HA ASP 65 -5.525 7.558 12.008 445 1HB ASP 65 2HB ASP 65 -8.161 6.071 12.074 446 2HB ASP 65 3HB ASP 65 -7.416 6.775 13.511 447 H ASP 66 HN ASP 66 -5.246 6.513 14.161 448 HA ASP 66 HA ASP 66 -3.302 4.437 14.010 449 1HB ASP 66 2HB ASP 66 -4.946 5.520 16.347 450 2HB ASP 66 3HB ASP 66 -3.646 4.333 16.510 451 H GLU 67 HN GLU 67 -6.764 4.468 14.797 452 HA GLU 67 HA GLU 67 -7.125 1.837 15.584 453 1HB GLU 67 2HB GLU 67 -9.244 3.055 13.797 454 2HB GLU 67 3HB GLU 67 -9.368 2.238 15.350 455 1HG GLU 67 2HG GLU 67 -8.274 4.369 16.318 456 2HG GLU 67 3HG GLU 67 -8.669 5.105 14.746 457 H GLN 68 HN GLN 68 -7.625 3.155 12.264 458 HA GLN 68 HA GLN 68 -7.980 0.743 10.939 459 1HB GLN 68 2HB GLN 68 -6.766 3.358 10.010 460 2HB GLN 68 3HB GLN 68 -7.313 2.074 8.924 461 1HG GLN 68 2HG GLN 68 -9.572 2.209 9.634 462 2HG GLN 68 3HG GLN 68 -9.186 3.273 10.990 463 1HE2 GLN 68 2HNE GLN 68 -10.544 5.277 8.173 464 2HE2 GLN 68 1HNE GLN 68 -11.103 3.797 8.923 465 H MET 69 HN MET 69 -4.838 2.569 11.373 466 HA MET 69 HA MET 69 -3.228 0.674 10.118 467 1HB MET 69 2HB MET 69 -2.598 2.429 12.522 468 2HB MET 69 3HB MET 69 -1.425 1.516 11.565 469 1HG MET 69 2HG MET 69 -2.347 2.711 9.496 470 2HG MET 69 3HG MET 69 -3.233 3.713 10.563 471 1HE MET 69 HE3 MET 69 -2.233 5.519 12.115 472 2HE MET 69 HE1 MET 69 -0.972 6.494 11.316 473 3HE MET 69 HE2 MET 69 -2.424 6.003 10.404 474 H ASP 70 HN ASP 70 -3.978 0.736 13.614 475 HA ASP 70 HA ASP 70 -2.590 -1.627 14.340 476 1HB ASP 70 2HB ASP 70 -3.504 0.097 15.927 477 2HB ASP 70 3HB ASP 70 -5.137 -0.450 15.547 478 H ALA 71 HN ALA 71 -5.868 -1.046 13.264 479 HA ALA 71 HA ALA 71 -6.972 -3.650 13.578 480 1HB ALA 71 3HB ALA 71 -7.708 -1.356 11.727 481 2HB ALA 71 1HB ALA 71 -8.742 -2.768 12.046 482 3HB ALA 71 2HB ALA 71 -8.340 -1.636 13.357 483 H GLY 72 HN GLY 72 -4.858 -2.314 11.090 484 1HA GLY 72 2HA GLY 72 -3.512 -4.031 10.055 485 2HA GLY 72 3HA GLY 72 -4.961 -4.942 9.665 486 H TYR 73 HN TYR 73 -4.690 -1.351 9.341 487 HA TYR 73 HA TYR 73 -4.767 -1.741 6.379 488 1HB TYR 73 2HB TYR 73 -5.951 0.424 8.080 489 2HB TYR 73 3HB TYR 73 -5.879 0.437 6.323 490 HD1 TYR 73 HD2 TYR 73 -6.918 -1.424 4.981 491 HD2 TYR 73 HD1 TYR 73 -7.757 -0.843 9.166 492 HE1 TYR 73 HE2 TYR 73 -9.116 -2.443 4.677 493 HE2 TYR 73 HE1 TYR 73 -9.984 -1.821 8.856 494 HH TYR 73 HOH TYR 73 -11.655 -2.000 6.394 495 H VAL 74 HN VAL 74 -3.770 -0.075 5.035 496 HA VAL 74 HA VAL 74 -1.744 1.674 6.186 497 HB VAL 74 HB VAL 74 -0.810 -0.677 6.133 498 1HG1 VAL 74 1HG1 VAL 74 -1.828 -1.428 3.982 499 2HG1 VAL 74 2HG1 VAL 74 -0.758 -0.310 3.107 500 3HG1 VAL 74 3HG1 VAL 74 -0.069 -1.647 4.026 501 1HG2 VAL 74 1HG2 VAL 74 0.664 1.427 4.576 502 2HG2 VAL 74 2HG2 VAL 74 0.675 1.075 6.327 503 3HG2 VAL 74 3HG2 VAL 74 1.337 -0.096 5.243 504 H LEU 75 HN LEU 75 -1.126 3.317 4.608 505 HA LEU 75 HA LEU 75 -2.830 3.463 2.249 506 1HB LEU 75 2HB LEU 75 -1.685 5.519 1.732 507 2HB LEU 75 3HB LEU 75 -2.175 5.440 3.415 508 HG LEU 75 HG LEU 75 0.338 4.526 3.752 509 1HD1 LEU 75 3HD1 LEU 75 0.453 6.233 1.252 510 2HD1 LEU 75 1HD1 LEU 75 1.845 5.884 2.296 511 3HD1 LEU 75 2HD1 LEU 75 1.060 4.557 1.433 512 1HD2 LEU 75 1HD2 LEU 75 -0.424 7.438 3.292 513 2HD2 LEU 75 2HD2 LEU 75 -0.655 6.509 4.802 514 3HD2 LEU 75 3HD2 LEU 75 0.984 6.868 4.211 515 H THR 76 HN THR 76 -1.754 3.843 -0.017 516 HA THR 76 HA THR 76 0.348 1.775 -0.492 517 HB THR 76 HB THR 76 -1.123 0.872 -2.321 518 HG1 THR 76 HG1 THR 76 -3.120 2.334 -0.919 519 1HG2 THR 76 2HG2 THR 76 -0.849 -0.310 -0.162 520 2HG2 THR 76 3HG2 THR 76 -2.264 0.548 0.487 521 3HG2 THR 76 1HG2 THR 76 -2.452 -0.550 -0.891 522 H CYS 77 HN CYS 77 0.702 4.487 -0.467 523 HA CYS 77 HA CYS 77 0.959 5.287 -3.343 524 1HB CYS 77 2HB CYS 77 0.017 6.833 -0.922 525 2HB CYS 77 3HB CYS 77 0.304 7.506 -2.524 526 H HIS 78 HN HIS 78 1.872 6.236 -0.034 527 HA HIS 78 HA HIS 78 4.720 6.463 -0.826 528 1HB HIS 78 2HB HIS 78 3.007 8.366 0.770 529 2HB HIS 78 3HB HIS 78 4.760 8.286 1.007 530 HD1 HIS 78 HND HIS 78 3.924 7.900 -2.605 531 HD2 HIS 78 HD HIS 78 4.983 10.811 0.245 532 HE1 HIS 78 HE HIS 78 4.865 9.903 -3.896 533 H ALA 79 HN ALA 79 4.146 4.092 -0.077 534 HA ALA 79 HA ALA 79 4.841 3.890 2.829 535 1HB ALA 79 2HB ALA 79 2.594 2.959 2.380 536 2HB ALA 79 3HB ALA 79 3.286 1.895 1.136 537 3HB ALA 79 1HB ALA 79 3.768 1.719 2.841 538 H TYR 80 HN TYR 80 6.663 2.757 3.263 539 HA TYR 80 HA TYR 80 8.384 1.867 0.981 540 1HB TYR 80 2HB TYR 80 8.931 2.774 3.842 541 2HB TYR 80 3HB TYR 80 10.152 2.103 2.777 542 HD1 TYR 80 HD2 TYR 80 10.304 3.240 0.369 543 HD2 TYR 80 HD1 TYR 80 8.785 5.140 3.925 544 HE1 TYR 80 HE2 TYR 80 10.838 5.461 -0.590 545 HE2 TYR 80 HE1 TYR 80 9.412 7.348 3.008 546 HH TYR 80 HOH TYR 80 10.170 8.501 1.140 547 HA PRO 81 HA PRO 81 7.435 -2.101 2.727 548 1HB PRO 81 2HB PRO 81 8.836 -3.650 0.838 549 2HB PRO 81 3HB PRO 81 7.143 -3.089 0.736 550 1HG PRO 81 2HG PRO 81 9.534 -2.071 -0.719 551 2HG PRO 81 3HG PRO 81 7.800 -1.851 -1.047 552 1HD PRO 81 2HD PRO 81 9.505 0.066 0.067 553 2HD PRO 81 3HD PRO 81 7.742 0.135 -0.134 554 H THR 82 HN THR 82 8.439 -2.804 4.607 555 HA THR 82 HA THR 82 11.372 -2.573 4.767 556 HB THR 82 HB THR 82 10.881 -2.999 7.206 557 HG1 THR 82 HG1 THR 82 8.574 -3.823 6.520 558 1HG2 THR 82 3HG2 THR 82 11.195 -0.731 6.278 559 2HG2 THR 82 1HG2 THR 82 9.465 -0.644 5.890 560 3HG2 THR 82 2HG2 THR 82 9.990 -0.747 7.580 561 H SER 83 HN SER 83 9.066 -5.032 4.040 562 HA SER 83 HA SER 83 11.118 -6.999 3.856 563 1HB SER 83 2HB SER 83 8.883 -7.430 5.895 564 2HB SER 83 3HB SER 83 9.985 -8.704 5.338 565 HG SER 83 HOG SER 83 11.434 -6.614 6.170 566 H ASP 84 HN ASP 84 9.735 -9.241 3.322 567 HA ASP 84 HA ASP 84 8.085 -8.797 1.000 568 1HB ASP 84 2HB ASP 84 7.762 -11.193 1.209 569 2HB ASP 84 3HB ASP 84 9.453 -10.693 1.034 570 H VAL 85 HN VAL 85 6.536 -7.449 1.849 571 HA VAL 85 HA VAL 85 4.681 -8.373 3.926 572 HB VAL 85 HB VAL 85 5.173 -6.059 4.066 573 1HG1 VAL 85 3HG1 VAL 85 4.912 -6.134 1.093 574 2HG1 VAL 85 1HG1 VAL 85 4.496 -4.620 1.888 575 3HG1 VAL 85 2HG1 VAL 85 6.117 -5.311 2.100 576 1HG2 VAL 85 2HG2 VAL 85 2.718 -6.578 4.281 577 2HG2 VAL 85 3HG2 VAL 85 3.030 -4.928 3.820 578 3HG2 VAL 85 1HG2 VAL 85 2.503 -6.072 2.599 579 H VAL 86 HN VAL 86 2.393 -8.489 3.638 580 HA VAL 86 HA VAL 86 1.429 -9.006 0.877 581 HB VAL 86 HB VAL 86 0.573 -10.498 3.390 582 1HG1 VAL 86 1HG1 VAL 86 -1.205 -10.144 1.598 583 2HG1 VAL 86 2HG1 VAL 86 -0.173 -11.029 0.478 584 3HG1 VAL 86 3HG1 VAL 86 -0.808 -11.840 1.915 585 1HG2 VAL 86 1HG2 VAL 86 2.263 -11.445 1.025 586 2HG2 VAL 86 2HG2 VAL 86 2.789 -11.329 2.717 587 3HG2 VAL 86 3HG2 VAL 86 1.562 -12.517 2.257 588 H ILE 87 HN ILE 87 -0.074 -7.440 0.463 589 HA ILE 87 HA ILE 87 -1.811 -6.521 2.638 590 HB ILE 87 HB ILE 87 -0.163 -4.877 2.652 591 1HG1 ILE 87 2HG1 ILE 87 -2.597 -4.000 2.192 592 2HG1 ILE 87 3HG1 ILE 87 -1.214 -2.907 2.208 593 1HG2 ILE 87 3HG2 ILE 87 -0.040 -4.928 -0.312 594 2HG2 ILE 87 1HG2 ILE 87 0.750 -3.704 0.713 595 3HG2 ILE 87 2HG2 ILE 87 1.239 -5.402 0.815 596 1HD1 ILE 87 HD2 ILE 87 -2.112 -4.197 -0.363 597 2HD1 ILE 87 HD3 ILE 87 -2.767 -2.674 0.191 598 3HD1 ILE 87 HD1 ILE 87 -1.048 -2.800 -0.118 599 H GLU 88 HN GLU 88 -3.875 -5.768 1.853 600 HA GLU 88 HA GLU 88 -4.528 -6.513 -0.971 601 1HB GLU 88 2HB GLU 88 -6.431 -5.671 1.179 602 2HB GLU 88 3HB GLU 88 -6.818 -6.564 -0.304 603 1HG GLU 88 2HG GLU 88 -5.835 -8.572 0.692 604 2HG GLU 88 3HG GLU 88 -5.327 -7.647 2.113 605 H THR 89 HN THR 89 -5.057 -4.915 -2.441 606 HA THR 89 HA THR 89 -4.784 -2.093 -1.443 607 HB THR 89 HB THR 89 -4.327 -1.424 -3.736 608 HG1 THR 89 HG1 THR 89 -5.028 -4.073 -4.439 609 1HG2 THR 89 2HG2 THR 89 -2.890 -4.047 -3.183 610 2HG2 THR 89 3HG2 THR 89 -2.411 -2.763 -4.303 611 3HG2 THR 89 1HG2 THR 89 -2.447 -2.443 -2.559 612 H HIS 90 HN HIS 90 -6.355 -0.512 -2.712 613 HA HIS 90 HA HIS 90 -8.439 0.237 -3.197 614 1HB HIS 90 2HB HIS 90 -9.185 -2.659 -3.816 615 2HB HIS 90 3HB HIS 90 -10.106 -1.219 -4.226 616 HD1 HIS 90 HND HIS 90 -6.341 -1.875 -4.938 617 HD2 HIS 90 HD HIS 90 -10.041 -1.218 -6.824 618 HE1 HIS 90 HE HIS 90 -5.883 -1.963 -7.402 619 H LYS 91 HN LYS 91 -7.962 0.221 -0.594 620 HA LYS 91 HA LYS 91 -10.492 -0.830 0.637 621 1HB LYS 91 2HB LYS 91 -7.789 -0.477 1.942 622 2HB LYS 91 3HB LYS 91 -9.221 -1.190 2.661 623 1HG LYS 91 2HG LYS 91 -7.794 -2.337 0.201 624 2HG LYS 91 3HG LYS 91 -7.623 -2.924 1.854 625 1HD LYS 91 2HD LYS 91 -9.766 -3.600 2.053 626 2HD LYS 91 3HD LYS 91 -10.327 -2.821 0.594 627 1HE LYS 91 2HE LYS 91 -9.529 -4.273 -0.891 628 2HE LYS 91 3HE LYS 91 -8.211 -4.824 0.143 629 1HZ LYS 91 2HNZ LYS 91 -10.989 -5.356 0.883 630 2HZ LYS 91 3HNZ LYS 91 -10.208 -6.352 -0.189 631 3HZ LYS 91 1HNZ LYS 91 -9.594 -6.193 1.312 632 H GLU 92 HN GLU 92 -9.586 1.920 -0.572 633 HA GLU 92 HA GLU 92 -9.766 3.939 1.308 634 1HB GLU 92 2HB GLU 92 -9.500 4.155 -1.168 635 2HB GLU 92 3HB GLU 92 -11.199 3.742 -1.386 636 1HG GLU 92 2HG GLU 92 -11.764 5.790 0.029 637 2HG GLU 92 3HG GLU 92 -10.042 6.216 -0.050 638 H GLU 93 HN GLU 93 -12.607 2.529 -0.387 639 HA GLU 93 HA GLU 93 -14.379 3.375 1.739 640 1HB GLU 93 2HB GLU 93 -14.939 1.740 -0.768 641 2HB GLU 93 3HB GLU 93 -16.137 2.521 0.268 642 1HG GLU 93 2HG GLU 93 -15.206 4.747 -0.295 643 2HG GLU 93 3HG GLU 93 -14.002 3.999 -1.355 644 H GLU 94 HN GLU 94 -12.297 1.266 2.428 645 HA GLU 94 HA GLU 94 -14.224 -0.535 3.790 646 1HB GLU 94 2HB GLU 94 -11.471 -1.333 2.761 647 2HB GLU 94 3HB GLU 94 -12.492 -2.260 3.855 648 1HG GLU 94 2HG GLU 94 -14.271 -1.987 1.864 649 2HG GLU 94 3HG GLU 94 -12.792 -1.887 0.902 650 H ILE 95 HN ILE 95 -11.595 1.822 4.064 651 HA ILE 95 HA ILE 95 -11.213 1.051 6.847 652 HB ILE 95 HB ILE 95 -9.561 2.804 6.926 653 1HG1 ILE 95 2HG1 ILE 95 -9.998 3.187 3.947 654 2HG1 ILE 95 3HG1 ILE 95 -10.570 4.316 5.200 655 1HG2 ILE 95 1HG2 ILE 95 -9.115 0.517 6.326 656 2HG2 ILE 95 2HG2 ILE 95 -9.146 0.892 4.595 657 3HG2 ILE 95 3HG2 ILE 95 -7.901 1.593 5.660 658 1HD1 ILE 95 HD1 ILE 95 -7.650 3.583 4.918 659 2HD1 ILE 95 HD2 ILE 95 -8.443 4.908 4.085 660 3HD1 ILE 95 HD3 ILE 95 -8.402 4.894 5.866 661 H VAL 96 HN VAL 96 -12.825 3.567 4.963 662 HA VAL 96 HA VAL 96 -13.537 5.101 7.345 663 HB VAL 96 HB VAL 96 -14.837 6.471 5.846 664 1HG1 VAL 96 2HG1 VAL 96 -12.343 6.784 5.958 665 2HG1 VAL 96 3HG1 VAL 96 -12.195 5.810 4.476 666 3HG1 VAL 96 1HG1 VAL 96 -13.074 7.342 4.443 667 1HG2 VAL 96 3HG2 VAL 96 -14.178 4.445 3.675 668 2HG2 VAL 96 1HG2 VAL 96 -15.788 4.792 4.329 669 3HG2 VAL 96 2HG2 VAL 96 -14.925 6.028 3.400 No H/Q in entry = 668 Start of MODEL 17 1 1H ALA 1 1HN ALA 1 18.044 -2.590 -0.226 2 2H ALA 1 2HN ALA 1 16.670 -2.594 -1.055 3 2H ALA 1 3HN ALA 1 16.670 -2.594 -1.055 4 HA ALA 1 HA ALA 1 18.170 -4.974 -0.351 5 1HB ALA 1 2HB ALA 1 17.366 -3.796 1.677 6 2HB ALA 1 3HB ALA 1 15.697 -3.996 1.091 7 3HB ALA 1 1HB ALA 1 16.686 -5.415 1.459 8 H THR 2 HN THR 2 14.786 -3.951 -1.066 9 HA THR 2 HA THR 2 13.412 -4.559 -2.706 10 HB THR 2 HB THR 2 15.417 -6.522 -3.744 11 HG1 THR 2 HG1 THR 2 15.298 -3.722 -4.289 12 1HG2 THR 2 1HG2 THR 2 13.229 -4.872 -5.088 13 2HG2 THR 2 2HG2 THR 2 14.383 -5.932 -5.921 14 3HG2 THR 2 3HG2 THR 2 13.201 -6.624 -4.799 15 H TYR 3 HN TYR 3 11.631 -5.509 -1.977 16 HA TYR 3 HA TYR 3 11.823 -8.304 -0.913 17 1HB TYR 3 2HB TYR 3 10.035 -6.059 0.057 18 2HB TYR 3 3HB TYR 3 10.156 -7.674 0.719 19 HD1 TYR 3 HD2 TYR 3 12.895 -8.268 1.223 20 HD2 TYR 3 HD1 TYR 3 11.032 -4.379 1.300 21 HE1 TYR 3 HE2 TYR 3 14.717 -7.407 2.667 22 HE2 TYR 3 HE1 TYR 3 12.730 -3.602 2.896 23 HH TYR 3 HOH TYR 3 14.759 -4.042 3.873 24 H ASN 4 HN ASN 4 9.947 -9.549 -1.013 25 HA ASN 4 HA ASN 4 8.422 -9.449 -3.459 26 1HB ASN 4 2HB ASN 4 9.407 -11.527 -2.611 27 2HB ASN 4 3HB ASN 4 8.689 -11.276 -1.021 28 1HD2 ASN 4 2HND ASN 4 5.768 -12.105 -3.743 29 2HD2 ASN 4 1HND ASN 4 6.650 -10.554 -3.783 30 H VAL 5 HN VAL 5 6.882 -7.781 -3.320 31 HA VAL 5 HA VAL 5 5.174 -7.726 -0.858 32 HB VAL 5 HB VAL 5 5.358 -5.653 -3.035 33 1HG1 VAL 5 1HG1 VAL 5 4.104 -5.671 -0.234 34 2HG1 VAL 5 2HG1 VAL 5 4.169 -4.271 -1.315 35 3HG1 VAL 5 3HG1 VAL 5 3.207 -5.684 -1.763 36 1HG2 VAL 5 3HG2 VAL 5 6.710 -5.855 -0.310 37 2HG2 VAL 5 1HG2 VAL 5 7.496 -5.710 -1.898 38 3HG2 VAL 5 2HG2 VAL 5 6.573 -4.346 -1.240 39 H LYS 6 HN LYS 6 3.331 -8.933 -1.063 40 HA LYS 6 HA LYS 6 2.115 -9.315 -3.732 41 1HB LYS 6 2HB LYS 6 2.179 -11.190 -2.228 42 2HB LYS 6 3HB LYS 6 1.315 -10.285 -1.008 43 1HG LYS 6 2HG LYS 6 -0.631 -9.996 -2.712 44 2HG LYS 6 3HG LYS 6 0.298 -10.970 -3.821 45 1HD LYS 6 2HD LYS 6 -0.823 -11.913 -1.131 46 2HD LYS 6 3HD LYS 6 -1.395 -12.278 -2.742 47 1HE LYS 6 2HE LYS 6 1.086 -13.039 -3.154 48 2HE LYS 6 3HE LYS 6 1.191 -13.165 -1.398 49 1HZ LYS 6 2HNZ LYS 6 -0.808 -14.458 -3.171 50 2HZ LYS 6 3HNZ LYS 6 0.566 -15.198 -2.642 51 3HZ LYS 6 1HNZ LYS 6 -0.637 -14.777 -1.570 52 H LEU 7 HN LEU 7 0.650 -8.014 -4.560 53 HA LEU 7 HA LEU 7 -1.099 -6.391 -2.742 54 1HB LEU 7 2HB LEU 7 -0.432 -6.159 -5.678 55 2HB LEU 7 3HB LEU 7 -1.439 -5.044 -4.785 56 HG LEU 7 HG LEU 7 1.547 -5.508 -4.448 57 1HD1 LEU 7 1HD1 LEU 7 -0.072 -3.332 -5.776 58 2HD1 LEU 7 2HD1 LEU 7 1.629 -3.101 -5.304 59 3HD1 LEU 7 3HD1 LEU 7 1.192 -4.385 -6.435 60 1HD2 LEU 7 3HD2 LEU 7 -0.349 -3.717 -2.903 61 2HD2 LEU 7 1HD2 LEU 7 0.861 -4.900 -2.330 62 3HD2 LEU 7 2HD2 LEU 7 1.392 -3.375 -3.027 63 H ILE 8 HN ILE 8 -2.758 -7.743 -2.192 64 HA ILE 8 HA ILE 8 -3.968 -9.541 -4.160 65 HB ILE 8 HB ILE 8 -4.647 -8.689 -1.360 66 1HG1 ILE 8 2HG1 ILE 8 -4.006 -11.466 -2.253 67 2HG1 ILE 8 3HG1 ILE 8 -2.722 -10.302 -1.894 68 1HG2 ILE 8 3HG2 ILE 8 -6.154 -10.591 -3.206 69 2HG2 ILE 8 1HG2 ILE 8 -6.445 -10.450 -1.462 70 3HG2 ILE 8 2HG2 ILE 8 -6.786 -9.080 -2.516 71 1HD1 ILE 8 HD2 ILE 8 -4.890 -11.115 0.070 72 2HD1 ILE 8 HD3 ILE 8 -3.206 -11.661 0.065 73 3HD1 ILE 8 HD1 ILE 8 -3.576 -9.950 0.355 74 H THR 9 HN THR 9 -4.393 -8.245 -5.916 75 HA THR 9 HA THR 9 -6.159 -5.934 -5.624 76 HB THR 9 HB THR 9 -5.901 -5.854 -8.052 77 HG1 THR 9 HG1 THR 9 -5.486 -8.189 -8.324 78 1HG2 THR 9 1HG2 THR 9 -3.271 -6.219 -6.534 79 2HG2 THR 9 2HG2 THR 9 -3.404 -5.496 -8.142 80 3HG2 THR 9 3HG2 THR 9 -4.163 -4.685 -6.763 81 HA PRO 10 HA PRO 10 -9.907 -8.224 -6.371 82 1HB PRO 10 2HB PRO 10 -10.605 -6.354 -8.551 83 2HB PRO 10 3HB PRO 10 -11.516 -6.794 -7.065 84 1HG PRO 10 2HG PRO 10 -10.232 -4.451 -7.398 85 2HG PRO 10 3HG PRO 10 -10.339 -5.211 -5.792 86 1HD PRO 10 2HD PRO 10 -8.048 -5.047 -7.587 87 2HD PRO 10 3HD PRO 10 -8.089 -5.144 -5.863 88 H ASP 11 HN ASP 11 -7.961 -7.255 -9.167 89 HA ASP 11 HA ASP 11 -8.743 -8.861 -11.272 90 1HB ASP 11 2HB ASP 11 -6.011 -7.885 -10.294 91 2HB ASP 11 3HB ASP 11 -6.264 -8.635 -11.851 92 H GLY 12 HN GLY 12 -6.965 -9.624 -8.374 93 1HA GLY 12 2HA GLY 12 -7.013 -11.687 -7.487 94 2HA GLY 12 3HA GLY 12 -6.824 -12.516 -9.055 95 H GLU 13 HN GLU 13 -5.199 -10.065 -7.088 96 HA GLU 13 HA GLU 13 -3.188 -9.849 -6.114 97 1HB GLU 13 2HB GLU 13 -2.773 -12.671 -7.019 98 2HB GLU 13 3HB GLU 13 -1.636 -11.751 -6.037 99 1HG GLU 13 2HG GLU 13 -2.991 -11.650 -4.216 100 2HG GLU 13 3HG GLU 13 -4.479 -12.109 -5.084 101 H VAL 14 HN VAL 14 -1.267 -9.029 -6.507 102 HA VAL 14 HA VAL 14 0.274 -9.831 -8.870 103 HB VAL 14 HB VAL 14 0.802 -7.542 -9.543 104 1HG1 VAL 14 3HG1 VAL 14 -1.016 -8.869 -10.665 105 2HG1 VAL 14 1HG1 VAL 14 -2.190 -8.010 -9.626 106 3HG1 VAL 14 2HG1 VAL 14 -1.212 -7.111 -10.796 107 1HG2 VAL 14 2HG2 VAL 14 -1.380 -6.779 -7.570 108 2HG2 VAL 14 3HG2 VAL 14 0.266 -6.104 -7.708 109 3HG2 VAL 14 1HG2 VAL 14 -0.948 -5.759 -8.935 110 H GLU 15 HN GLU 15 1.660 -10.876 -7.531 111 HA GLU 15 HA GLU 15 3.185 -9.475 -5.481 112 1HB GLU 15 2HB GLU 15 3.518 -12.109 -6.963 113 2HB GLU 15 3HB GLU 15 4.825 -11.410 -5.996 114 1HG GLU 15 2HG GLU 15 3.393 -11.257 -4.042 115 2HG GLU 15 3HG GLU 15 2.034 -11.987 -4.951 116 H PHE 16 HN PHE 16 4.897 -8.267 -5.672 117 HA PHE 16 HA PHE 16 6.448 -8.192 -8.163 118 1HB PHE 16 2HB PHE 16 6.056 -6.100 -8.808 119 2HB PHE 16 3HB PHE 16 4.447 -6.690 -8.478 120 HD1 PHE 16 HD2 PHE 16 3.584 -6.114 -5.983 121 HD2 PHE 16 HD1 PHE 16 6.983 -4.221 -7.849 122 HE1 PHE 16 HE2 PHE 16 3.596 -4.375 -4.260 123 HE2 PHE 16 HE1 PHE 16 6.955 -2.511 -6.174 124 HZ PHE 16 HZ PHE 16 5.173 -2.419 -4.448 125 H LYS 17 HN LYS 17 8.260 -6.410 -7.915 126 HA LYS 17 HA LYS 17 9.397 -7.027 -5.217 127 1HB LYS 17 2HB LYS 17 10.509 -7.399 -7.877 128 2HB LYS 17 3HB LYS 17 11.521 -6.351 -6.885 129 1HG LYS 17 2HG LYS 17 12.251 -8.616 -6.499 130 2HG LYS 17 3HG LYS 17 11.473 -7.995 -5.040 131 1HD LYS 17 2HD LYS 17 10.292 -9.912 -5.014 132 2HD LYS 17 3HD LYS 17 9.318 -9.099 -6.216 133 1HE LYS 17 2HE LYS 17 9.692 -11.144 -7.252 134 2HE LYS 17 3HE LYS 17 10.939 -10.132 -7.989 135 1HZ LYS 17 2HNZ LYS 17 12.480 -11.052 -6.319 136 2HZ LYS 17 3HNZ LYS 17 11.281 -12.021 -5.741 137 3HZ LYS 17 1HNZ LYS 17 11.833 -12.227 -7.274 138 H CYS 18 HN CYS 18 9.590 -5.432 -3.893 139 HA CYS 18 HA CYS 18 9.643 -2.619 -4.953 140 1HB CYS 18 2HB CYS 18 7.461 -3.389 -3.910 141 2HB CYS 18 3HB CYS 18 8.372 -3.439 -2.399 142 HG CYS 18 HSG CYS 18 8.090 -0.990 -4.640 143 H ASP 19 HN ASP 19 11.384 -1.509 -4.458 144 HA ASP 19 HA ASP 19 13.297 -2.476 -2.578 145 1HB ASP 19 2HB ASP 19 13.217 0.234 -3.905 146 2HB ASP 19 3HB ASP 19 14.595 -0.585 -3.152 147 H ASP 20 HN ASP 20 13.985 -1.603 -0.801 148 HA ASP 20 HA ASP 20 12.120 -0.755 1.179 149 1HB ASP 20 2HB ASP 20 14.329 -0.509 2.535 150 2HB ASP 20 3HB ASP 20 13.897 -2.097 1.924 151 H ASP 21 HN ASP 21 14.022 0.903 -1.116 152 HA ASP 21 HA ASP 21 13.839 3.527 0.288 153 1HB ASP 21 2HB ASP 21 15.533 2.548 -2.058 154 2HB ASP 21 3HB ASP 21 15.490 4.208 -1.470 155 H VAL 22 HN VAL 22 11.722 1.852 -1.598 156 HA VAL 22 HA VAL 22 11.024 4.286 -3.163 157 HB VAL 22 HB VAL 22 12.372 2.478 -4.446 158 1HG1 VAL 22 1HG1 VAL 22 10.790 0.602 -3.592 159 2HG1 VAL 22 2HG1 VAL 22 9.650 1.180 -4.800 160 3HG1 VAL 22 3HG1 VAL 22 11.276 0.620 -5.279 161 1HG2 VAL 22 3HG2 VAL 22 11.199 4.392 -5.498 162 2HG2 VAL 22 1HG2 VAL 22 11.164 2.920 -6.489 163 3HG2 VAL 22 2HG2 VAL 22 9.722 3.404 -5.584 164 H TYR 23 HN TYR 23 8.821 4.309 -3.936 165 HA TYR 23 HA TYR 23 7.112 3.574 -1.733 166 1HB TYR 23 2HB TYR 23 6.546 4.992 -4.352 167 2HB TYR 23 3HB TYR 23 5.383 4.783 -3.048 168 HD1 TYR 23 HD2 TYR 23 6.326 5.489 -0.624 169 HD2 TYR 23 HD1 TYR 23 7.701 7.090 -4.377 170 HE1 TYR 23 HE2 TYR 23 6.828 7.643 0.484 171 HE2 TYR 23 HE1 TYR 23 8.255 9.235 -3.246 172 HH TYR 23 HOH TYR 23 7.539 9.791 0.243 173 H VAL 24 HN VAL 24 5.588 1.948 -1.660 174 HA VAL 24 HA VAL 24 5.738 -0.291 -3.284 175 HB VAL 24 HB VAL 24 3.157 0.566 -1.938 176 1HG1 VAL 24 2HG1 VAL 24 3.086 -1.484 -3.447 177 2HG1 VAL 24 3HG1 VAL 24 4.381 -2.178 -2.430 178 3HG1 VAL 24 1HG1 VAL 24 2.789 -1.839 -1.736 179 1HG2 VAL 24 2HG2 VAL 24 5.635 -0.829 -0.815 180 2HG2 VAL 24 3HG2 VAL 24 4.879 0.656 -0.215 181 3HG2 VAL 24 1HG2 VAL 24 4.045 -0.871 -0.030 182 H LEU 25 HN LEU 25 3.478 2.415 -3.782 183 HA LEU 25 HA LEU 25 2.203 1.448 -6.099 184 1HB LEU 25 2HB LEU 25 1.675 3.796 -6.584 185 2HB LEU 25 3HB LEU 25 1.245 3.288 -4.961 186 HG LEU 25 HG LEU 25 3.965 4.552 -5.154 187 1HD1 LEU 25 3HD1 LEU 25 2.768 5.873 -6.839 188 2HD1 LEU 25 1HD1 LEU 25 1.476 6.213 -5.657 189 3HD1 LEU 25 2HD1 LEU 25 3.125 6.820 -5.385 190 1HD2 LEU 25 1HD2 LEU 25 1.509 4.934 -3.438 191 2HD2 LEU 25 2HD2 LEU 25 2.972 4.060 -2.959 192 3HD2 LEU 25 3HD2 LEU 25 3.042 5.812 -3.201 193 H ASP 26 HN ASP 26 5.390 3.018 -5.806 194 HA ASP 26 HA ASP 26 5.429 4.109 -8.467 195 1HB ASP 26 2HB ASP 26 6.712 5.036 -6.649 196 2HB ASP 26 3HB ASP 26 7.608 3.543 -6.427 197 H GLN 27 HN GLN 27 7.412 1.585 -6.985 198 HA GLN 27 HA GLN 27 8.275 0.447 -9.385 199 1HB GLN 27 2HB GLN 27 8.038 -0.616 -6.582 200 2HB GLN 27 3HB GLN 27 8.494 -1.738 -7.875 201 1HG GLN 27 2HG GLN 27 9.957 0.851 -7.232 202 2HG GLN 27 3HG GLN 27 10.438 -0.782 -6.694 203 1HE2 GLN 27 2HNE GLN 27 11.339 -1.836 -10.068 204 2HE2 GLN 27 1HNE GLN 27 10.393 -2.446 -8.717 205 H ALA 28 HN ALA 28 5.331 -0.308 -7.443 206 HA ALA 28 HA ALA 28 4.380 -2.520 -8.896 207 1HB ALA 28 3HB ALA 28 2.917 -0.181 -7.656 208 2HB ALA 28 1HB ALA 28 2.118 -1.620 -8.225 209 3HB ALA 28 2HB ALA 28 3.280 -1.759 -6.905 210 H GLU 29 HN GLU 29 3.593 0.955 -9.604 211 HA GLU 29 HA GLU 29 2.266 0.329 -12.015 212 1HB GLU 29 2HB GLU 29 3.673 2.881 -11.118 213 2HB GLU 29 3HB GLU 29 2.797 2.737 -12.651 214 1HG GLU 29 2HG GLU 29 0.737 2.071 -11.442 215 2HG GLU 29 3HG GLU 29 1.574 2.286 -9.898 216 H GLU 30 HN GLU 30 5.782 1.001 -11.386 217 HA GLU 30 HA GLU 30 6.678 0.764 -14.057 218 1HB GLU 30 2HB GLU 30 8.118 -0.076 -11.548 219 2HB GLU 30 3HB GLU 30 8.837 0.011 -13.141 220 1HG GLU 30 2HG GLU 30 7.487 2.470 -11.970 221 2HG GLU 30 3HG GLU 30 9.143 2.032 -11.549 222 H GLU 31 HN GLU 31 5.859 -1.887 -11.832 223 HA GLU 31 HA GLU 31 6.757 -3.881 -13.768 224 1HB GLU 31 2HB GLU 31 4.854 -4.274 -11.441 225 2HB GLU 31 3HB GLU 31 5.835 -5.497 -12.265 226 1HG GLU 31 2HG GLU 31 7.548 -3.322 -11.423 227 2HG GLU 31 3HG GLU 31 6.508 -3.716 -10.098 228 H GLY 32 HN GLY 32 3.922 -2.039 -13.187 229 1HA GLY 32 2HA GLY 32 2.501 -1.603 -15.149 230 2HA GLY 32 3HA GLY 32 2.454 -3.340 -15.479 231 H ILE 33 HN ILE 33 2.381 -2.561 -12.098 232 HA ILE 33 HA ILE 33 -0.267 -3.700 -11.879 233 HB ILE 33 HB ILE 33 1.606 -2.389 -9.978 234 1HG1 ILE 33 2HG1 ILE 33 0.908 -5.284 -10.389 235 2HG1 ILE 33 3HG1 ILE 33 2.349 -4.473 -11.038 236 1HG2 ILE 33 1HG2 ILE 33 -1.121 -3.616 -9.503 237 2HG2 ILE 33 2HG2 ILE 33 0.095 -3.641 -8.216 238 3HG2 ILE 33 3HG2 ILE 33 -0.461 -2.106 -8.859 239 1HD1 ILE 33 HD1 ILE 33 2.357 -3.968 -8.231 240 2HD1 ILE 33 HD2 ILE 33 2.300 -5.719 -8.553 241 3HD1 ILE 33 HD3 ILE 33 3.553 -4.704 -9.283 242 H ASP 34 HN ASP 34 -2.053 -2.649 -12.253 243 HA ASP 34 HA ASP 34 -2.265 0.272 -12.197 244 1HB ASP 34 2HB ASP 34 -3.321 -1.160 -13.888 245 2HB ASP 34 3HB ASP 34 -4.356 -1.879 -12.606 246 H ILE 35 HN ILE 35 -1.523 0.031 -9.765 247 HA ILE 35 HA ILE 35 -3.611 -0.667 -7.951 248 HB ILE 35 HB ILE 35 -0.962 -0.047 -7.726 249 1HG1 ILE 35 2HG1 ILE 35 -2.731 -0.636 -5.432 250 2HG1 ILE 35 3HG1 ILE 35 -1.906 -1.704 -6.569 251 1HG2 ILE 35 1HG2 ILE 35 -1.385 2.378 -7.633 252 2HG2 ILE 35 2HG2 ILE 35 -2.272 2.137 -6.113 253 3HG2 ILE 35 3HG2 ILE 35 -0.544 1.761 -6.225 254 1HD1 ILE 35 HD3 ILE 35 0.286 -0.800 -5.792 255 2HD1 ILE 35 HD1 ILE 35 -0.566 0.229 -4.620 256 3HD1 ILE 35 HD2 ILE 35 -0.649 -1.518 -4.464 257 HA PRO 36 HA PRO 36 -6.013 3.111 -8.250 258 1HB PRO 36 2HB PRO 36 -7.028 3.385 -5.680 259 2HB PRO 36 3HB PRO 36 -7.593 2.222 -6.898 260 1HG PRO 36 2HG PRO 36 -5.948 1.658 -4.478 261 2HG PRO 36 3HG PRO 36 -7.035 0.606 -5.410 262 1HD PRO 36 2HD PRO 36 -4.169 0.822 -5.571 263 2HD PRO 36 3HD PRO 36 -5.179 -0.219 -6.563 264 H TYR 37 HN TYR 37 -3.823 4.100 -8.617 265 HA TYR 37 HA TYR 37 -2.281 5.397 -6.703 266 1HB TYR 37 2HB TYR 37 -1.614 5.096 -9.011 267 2HB TYR 37 3HB TYR 37 -2.880 6.173 -9.580 268 HD1 TYR 37 HD1 TYR 37 0.410 5.967 -7.901 269 HD2 TYR 37 HD2 TYR 37 -2.594 8.581 -9.527 270 HE1 TYR 37 HE1 TYR 37 2.055 7.814 -7.986 271 HE2 TYR 37 HE2 TYR 37 -1.002 10.475 -9.438 272 HH TYR 37 HOH TYR 37 2.445 9.929 -8.779 273 H SER 38 HN SER 38 -4.748 7.099 -8.709 274 HA SER 38 HA SER 38 -6.150 8.828 -8.276 275 1HB SER 38 2HB SER 38 -7.078 7.389 -6.584 276 2HB SER 38 3HB SER 38 -5.870 7.855 -5.409 277 HG SER 38 HOG SER 38 -7.445 9.185 -4.896 278 H CYS 39 HN CYS 39 -5.660 10.383 -5.521 279 HA CYS 39 HA CYS 39 -3.819 12.375 -6.498 280 1HB CYS 39 2HB CYS 39 -4.468 13.533 -4.805 281 2HB CYS 39 3HB CYS 39 -5.556 12.252 -4.322 282 H ARG 40 HN ARG 40 -1.798 12.853 -4.980 283 HA ARG 40 HA ARG 40 -0.691 10.668 -3.661 284 1HB ARG 40 2HB ARG 40 -0.037 9.826 -5.873 285 2HB ARG 40 3HB ARG 40 0.853 11.302 -6.202 286 1HG ARG 40 2HG ARG 40 1.696 10.132 -3.631 287 2HG ARG 40 3HG ARG 40 1.665 8.874 -4.857 288 1HD ARG 40 2HD ARG 40 3.884 9.997 -4.703 289 2HD ARG 40 3HD ARG 40 3.130 10.165 -6.312 290 HE ARG 40 HNE ARG 40 2.418 12.321 -4.524 291 1HH1 ARG 40 2HN2 ARG 40 5.071 11.396 -6.613 292 2HH1 ARG 40 1HN2 ARG 40 5.332 13.001 -7.237 293 1HH2 ARG 40 2HN1 ARG 40 2.566 14.283 -5.320 294 2HH2 ARG 40 1HN1 ARG 40 3.867 14.786 -6.385 295 H ALA 41 HN ALA 41 -0.440 11.890 -1.972 296 HA ALA 41 HA ALA 41 1.682 13.901 -1.884 297 1HB ALA 41 1HB ALA 41 -0.167 15.285 -2.738 298 2HB ALA 41 2HB ALA 41 -1.200 14.761 -1.389 299 3HB ALA 41 3HB ALA 41 0.250 15.742 -1.076 300 H GLY 42 HN GLY 42 -0.994 12.240 -0.126 301 1HA GLY 42 2HA GLY 42 -0.838 11.244 1.953 302 2HA GLY 42 3HA GLY 42 0.753 11.960 2.243 303 H SER 43 HN SER 43 -2.708 12.586 2.060 304 HA SER 43 HA SER 43 -3.010 14.207 4.272 305 1HB SER 43 2HB SER 43 -2.295 15.821 1.821 306 2HB SER 43 3HB SER 43 -3.632 16.402 2.819 307 HG SER 43 HOG SER 43 -2.065 16.058 4.635 308 H CYS 44 HN CYS 44 -4.202 13.197 1.068 309 HA CYS 44 HA CYS 44 -6.828 14.233 1.445 310 1HB CYS 44 2HB CYS 44 -7.332 13.316 -0.518 311 2HB CYS 44 3HB CYS 44 -5.587 13.342 -0.709 312 H SER 45 HN SER 45 -8.621 12.349 1.140 313 HA SER 45 HA SER 45 -8.281 10.274 3.213 314 1HB SER 45 2HB SER 45 -9.471 12.277 4.227 315 2HB SER 45 3HB SER 45 -10.808 11.963 3.102 316 HG SER 45 HOG SER 45 -9.713 10.063 4.917 317 H SER 46 HN SER 46 -7.782 9.339 1.003 318 HA SER 46 HA SER 46 -9.949 7.671 0.339 319 1HB SER 46 2HB SER 46 -10.201 8.156 -2.031 320 2HB SER 46 3HB SER 46 -10.590 9.611 -1.122 321 HG SER 46 HOG SER 46 -8.284 10.199 -1.580 322 H CYS 47 HN CYS 47 -9.113 6.081 -1.377 323 HA CYS 47 HA CYS 47 -7.670 4.534 -2.029 324 1HB CYS 47 2HB CYS 47 -5.944 5.186 -3.189 325 2HB CYS 47 3HB CYS 47 -6.412 6.813 -2.735 326 H ALA 48 HN ALA 48 -6.301 2.874 -1.228 327 HA ALA 48 HA ALA 48 -4.718 2.713 0.988 328 1HB ALA 48 3HB ALA 48 -7.632 2.626 1.821 329 2HB ALA 48 1HB ALA 48 -6.394 1.727 2.718 330 3HB ALA 48 2HB ALA 48 -6.239 3.464 2.561 331 H GLY 49 HN GLY 49 -4.598 0.597 1.978 332 1HA GLY 49 2HA GLY 49 -5.896 -1.584 0.542 333 2HA GLY 49 3HA GLY 49 -4.130 -1.592 0.631 334 H LYS 50 HN LYS 50 -5.596 -3.647 1.801 335 HA LYS 50 HA LYS 50 -5.540 -3.176 4.670 336 1HB LYS 50 2HB LYS 50 -7.391 -4.292 3.163 337 2HB LYS 50 3HB LYS 50 -6.448 -5.757 3.378 338 1HG LYS 50 2HG LYS 50 -6.837 -5.823 5.713 339 2HG LYS 50 3HG LYS 50 -7.163 -4.083 5.791 340 1HD LYS 50 2HD LYS 50 -9.151 -4.469 4.273 341 2HD LYS 50 3HD LYS 50 -8.991 -6.201 4.637 342 1HE LYS 50 2HE LYS 50 -9.346 -5.799 7.009 343 2HE LYS 50 3HE LYS 50 -9.135 -4.087 6.851 344 1HZ LYS 50 2HNZ LYS 50 -11.374 -5.307 5.386 345 2HZ LYS 50 3HNZ LYS 50 -11.518 -4.736 6.945 346 3HZ LYS 50 1HNZ LYS 50 -11.118 -3.762 5.694 347 H VAL 51 HN VAL 51 -3.590 -3.631 5.645 348 HA VAL 51 HA VAL 51 -1.491 -5.239 4.475 349 HB VAL 51 HB VAL 51 -1.898 -4.337 7.357 350 1HG1 VAL 51 3HG1 VAL 51 0.628 -5.250 5.877 351 2HG1 VAL 51 1HG1 VAL 51 0.527 -4.631 7.546 352 3HG1 VAL 51 2HG1 VAL 51 -0.242 -6.164 7.138 353 1HG2 VAL 51 2HG2 VAL 51 -0.377 -3.013 5.077 354 2HG2 VAL 51 3HG2 VAL 51 -1.844 -2.399 5.880 355 3HG2 VAL 51 1HG2 VAL 51 -0.332 -2.512 6.783 356 H VAL 52 HN VAL 52 -1.859 -7.433 4.226 357 HA VAL 52 HA VAL 52 -3.564 -8.972 6.094 358 HB VAL 52 HB VAL 52 -1.934 -9.613 3.635 359 1HG1 VAL 52 3HG1 VAL 52 -3.452 -11.589 5.385 360 2HG1 VAL 52 1HG1 VAL 52 -2.869 -11.925 3.741 361 3HG1 VAL 52 2HG1 VAL 52 -1.709 -11.605 5.029 362 1HG2 VAL 52 3HG2 VAL 52 -4.106 -8.491 3.326 363 2HG2 VAL 52 1HG2 VAL 52 -4.134 -10.138 2.667 364 3HG2 VAL 52 2HG2 VAL 52 -4.919 -9.791 4.220 365 H SER 53 HN SER 53 -0.077 -8.600 5.208 366 HA SER 53 HA SER 53 0.717 -9.194 7.901 367 1HB SER 53 2HB SER 53 0.247 -11.543 6.858 368 2HB SER 53 3HB SER 53 1.663 -11.237 5.847 369 HG SER 53 HOG SER 53 1.494 -11.405 8.677 370 H GLY 54 HN GLY 54 3.245 -9.576 7.798 371 1HA GLY 54 2HA GLY 54 5.357 -8.820 6.860 372 2HA GLY 54 3HA GLY 54 4.458 -7.779 5.768 373 H SER 55 HN SER 55 6.001 -6.115 6.453 374 HA SER 55 HA SER 55 4.582 -4.376 8.196 375 1HB SER 55 2HB SER 55 7.496 -4.799 8.911 376 2HB SER 55 3HB SER 55 6.282 -3.821 9.717 377 HG SER 55 HOG SER 55 5.199 -6.107 9.874 378 H ILE 56 HN ILE 56 5.161 -2.226 7.695 379 HA ILE 56 HA ILE 56 7.199 -1.646 5.700 380 HB ILE 56 HB ILE 56 5.575 -0.548 4.240 381 1HG1 ILE 56 2HG1 ILE 56 3.365 -1.845 5.853 382 2HG1 ILE 56 3HG1 ILE 56 3.768 -0.130 5.961 383 1HG2 ILE 56 3HG2 ILE 56 6.167 -3.141 4.099 384 2HG2 ILE 56 1HG2 ILE 56 4.473 -3.327 4.540 385 3HG2 ILE 56 2HG2 ILE 56 4.924 -2.487 3.039 386 1HD1 ILE 56 HD1 ILE 56 3.183 -1.228 3.210 387 2HD1 ILE 56 HD2 ILE 56 1.878 -0.973 4.363 388 3HD1 ILE 56 HD3 ILE 56 2.953 0.381 3.906 389 H ASP 57 HN ASP 57 7.282 0.775 5.462 390 HA ASP 57 HA ASP 57 6.384 2.155 7.964 391 1HB ASP 57 2HB ASP 57 8.814 2.059 7.859 392 2HB ASP 57 3HB ASP 57 8.812 2.631 6.183 393 H GLN 58 HN GLN 58 4.502 3.113 7.414 394 HA GLN 58 HA GLN 58 4.419 4.714 4.898 395 1HB GLN 58 2HB GLN 58 1.969 4.771 5.442 396 2HB GLN 58 3HB GLN 58 2.602 3.231 4.860 397 1HG GLN 58 2HG GLN 58 2.581 2.317 7.072 398 2HG GLN 58 3HG GLN 58 2.323 3.917 7.790 399 1HE2 GLN 58 2HNE GLN 58 -0.838 1.980 7.915 400 2HE2 GLN 58 1HNE GLN 58 0.797 1.903 8.553 401 H SER 59 HN SER 59 5.901 5.428 7.504 402 HA SER 59 HA SER 59 4.309 7.543 8.654 403 1HB SER 59 2HB SER 59 7.303 7.101 8.871 404 2HB SER 59 3HB SER 59 6.250 7.984 9.993 405 HG SER 59 HOG SER 59 6.438 5.230 9.451 406 H ASP 60 HN ASP 60 4.639 7.846 5.738 407 HA ASP 60 HA ASP 60 5.922 10.546 5.613 408 1HB ASP 60 2HB ASP 60 7.347 8.853 4.547 409 2HB ASP 60 3HB ASP 60 6.011 8.295 3.550 410 H GLN 61 HN GLN 61 3.053 9.146 5.924 411 HA GLN 61 HA GLN 61 1.767 10.164 3.494 412 1HB GLN 61 2HB GLN 61 0.453 8.333 3.666 413 2HB GLN 61 3HB GLN 61 1.948 7.718 4.329 414 1HG GLN 61 2HG GLN 61 1.066 8.156 6.662 415 2HG GLN 61 3HG GLN 61 -0.494 8.627 5.929 416 1HE2 GLN 61 2HNE GLN 61 -0.903 5.131 6.800 417 2HE2 GLN 61 1HNE GLN 61 -0.851 6.674 7.679 418 H SER 62 HN SER 62 1.421 10.416 7.050 419 HA SER 62 HA SER 62 -0.236 11.308 8.351 420 1HB SER 62 2HB SER 62 0.063 13.558 6.326 421 2HB SER 62 3HB SER 62 -0.521 13.701 7.996 422 HG SER 62 HOG SER 62 2.058 12.851 7.146 423 H PHE 63 HN PHE 63 -1.760 9.550 7.343 424 HA PHE 63 HA PHE 63 -4.283 10.965 7.027 425 1HB PHE 63 2HB PHE 63 -4.009 10.634 4.706 426 2HB PHE 63 3HB PHE 63 -3.382 8.998 4.943 427 HD1 PHE 63 HD2 PHE 63 -6.514 10.053 6.725 428 HD2 PHE 63 HD1 PHE 63 -4.884 8.217 3.164 429 HE1 PHE 63 HE2 PHE 63 -8.572 8.764 6.420 430 HE2 PHE 63 HE1 PHE 63 -7.013 7.133 2.738 431 HZ PHE 63 HZ PHE 63 -8.898 7.397 4.351 432 H LEU 64 HN LEU 64 -3.365 7.451 6.696 433 HA LEU 64 HA LEU 64 -5.567 6.621 7.999 434 1HB LEU 64 2HB LEU 64 -2.924 5.277 7.734 435 2HB LEU 64 3HB LEU 64 -3.992 4.634 8.942 436 HG LEU 64 HG LEU 64 -5.850 4.406 7.298 437 1HD1 LEU 64 3HD1 LEU 64 -3.683 5.467 5.534 438 2HD1 LEU 64 1HD1 LEU 64 -5.011 4.490 4.852 439 3HD1 LEU 64 2HD1 LEU 64 -5.354 6.047 5.639 440 1HD2 LEU 64 3HD2 LEU 64 -3.185 3.119 6.763 441 2HD2 LEU 64 1HD2 LEU 64 -4.428 2.590 7.918 442 3HD2 LEU 64 2HD2 LEU 64 -4.754 2.506 6.165 443 H ASP 65 HN ASP 65 -6.327 6.195 9.988 444 HA ASP 65 HA ASP 65 -4.910 7.476 12.196 445 1HB ASP 65 2HB ASP 65 -7.522 5.907 12.239 446 2HB ASP 65 3HB ASP 65 -6.950 6.997 13.508 447 H ASP 66 HN ASP 66 -4.958 6.266 14.338 448 HA ASP 66 HA ASP 66 -3.161 4.059 14.295 449 1HB ASP 66 2HB ASP 66 -5.108 5.039 16.451 450 2HB ASP 66 3HB ASP 66 -3.883 3.791 16.699 451 H GLU 67 HN GLU 67 -6.683 4.328 14.653 452 HA GLU 67 HA GLU 67 -7.348 1.686 15.120 453 1HB GLU 67 2HB GLU 67 -9.157 3.268 13.272 454 2HB GLU 67 3HB GLU 67 -9.516 2.310 14.701 455 1HG GLU 67 2HG GLU 67 -8.336 4.222 15.995 456 2HG GLU 67 3HG GLU 67 -8.527 5.143 14.484 457 H GLN 68 HN GLN 68 -7.462 3.324 11.899 458 HA GLN 68 HA GLN 68 -7.868 1.084 10.381 459 1HB GLN 68 2HB GLN 68 -6.319 3.593 9.695 460 2HB GLN 68 3HB GLN 68 -6.923 2.437 8.505 461 1HG GLN 68 2HG GLN 68 -9.191 2.778 9.040 462 2HG GLN 68 3HG GLN 68 -8.812 3.724 10.478 463 1HE2 GLN 68 2HNE GLN 68 -9.735 5.979 7.687 464 2HE2 GLN 68 1HNE GLN 68 -10.500 4.542 8.326 465 H MET 69 HN MET 69 -4.615 2.476 11.285 466 HA MET 69 HA MET 69 -3.100 0.515 9.918 467 1HB MET 69 2HB MET 69 -2.481 1.990 12.515 468 2HB MET 69 3HB MET 69 -1.346 1.016 11.575 469 1HG MET 69 2HG MET 69 -1.863 2.518 9.582 470 2HG MET 69 3HG MET 69 -2.749 3.528 10.694 471 1HE MET 69 HE1 MET 69 -1.070 5.268 9.400 472 2HE MET 69 HE2 MET 69 -1.565 5.734 11.046 473 3HE MET 69 HE3 MET 69 0.121 5.961 10.534 474 H ASP 70 HN ASP 70 -4.085 0.456 13.378 475 HA ASP 70 HA ASP 70 -3.005 -2.064 14.035 476 1HB ASP 70 2HB ASP 70 -3.887 -0.321 15.639 477 2HB ASP 70 3HB ASP 70 -5.525 -0.733 15.135 478 H ALA 71 HN ALA 71 -6.105 -1.109 12.748 479 HA ALA 71 HA ALA 71 -7.515 -3.580 12.868 480 1HB ALA 71 2HB ALA 71 -7.796 -1.148 11.084 481 2HB ALA 71 3HB ALA 71 -9.024 -2.429 11.211 482 3HB ALA 71 1HB ALA 71 -8.633 -1.417 12.622 483 H GLY 72 HN GLY 72 -5.012 -2.489 10.647 484 1HA GLY 72 2HA GLY 72 -3.933 -4.312 9.454 485 2HA GLY 72 3HA GLY 72 -5.483 -4.928 8.969 486 H TYR 73 HN TYR 73 -4.821 -1.385 8.904 487 HA TYR 73 HA TYR 73 -4.966 -1.611 5.924 488 1HB TYR 73 2HB TYR 73 -5.977 0.570 7.700 489 2HB TYR 73 3HB TYR 73 -5.991 0.531 5.945 490 HD1 TYR 73 HD1 TYR 73 -7.138 -1.368 4.709 491 HD2 TYR 73 HD2 TYR 73 -7.829 -0.502 8.865 492 HE1 TYR 73 HE1 TYR 73 -9.444 -2.116 4.480 493 HE2 TYR 73 HE2 TYR 73 -10.165 -1.190 8.633 494 HH TYR 73 HOH TYR 73 -11.910 -1.295 6.501 495 H VAL 74 HN VAL 74 -3.995 0.069 4.637 496 HA VAL 74 HA VAL 74 -1.861 1.667 5.836 497 HB VAL 74 HB VAL 74 -0.773 -0.445 5.336 498 1HG1 VAL 74 2HG1 VAL 74 -2.236 -1.351 3.607 499 2HG1 VAL 74 3HG1 VAL 74 -1.649 -0.125 2.452 500 3HG1 VAL 74 1HG1 VAL 74 -0.537 -1.334 3.124 501 1HG2 VAL 74 2HG2 VAL 74 -0.061 2.058 3.868 502 2HG2 VAL 74 3HG2 VAL 74 0.869 1.063 4.991 503 3HG2 VAL 74 1HG2 VAL 74 0.698 0.592 3.283 504 H LEU 75 HN LEU 75 -1.621 3.596 4.542 505 HA LEU 75 HA LEU 75 -3.649 3.948 2.403 506 1HB LEU 75 2HB LEU 75 -3.725 5.921 3.401 507 2HB LEU 75 3HB LEU 75 -2.121 5.762 4.110 508 HG LEU 75 HG LEU 75 -1.210 6.285 1.834 509 1HD1 LEU 75 1HD1 LEU 75 -3.565 5.714 0.863 510 2HD1 LEU 75 2HD1 LEU 75 -3.997 7.359 1.244 511 3HD1 LEU 75 3HD1 LEU 75 -2.616 7.048 0.160 512 1HD2 LEU 75 1HD2 LEU 75 -1.657 8.029 3.756 513 2HD2 LEU 75 2HD2 LEU 75 -1.196 8.561 2.116 514 3HD2 LEU 75 3HD2 LEU 75 -2.862 8.671 2.640 515 H THR 76 HN THR 76 -3.100 3.846 0.192 516 HA THR 76 HA THR 76 -0.851 2.397 -0.552 517 HB THR 76 HB THR 76 -2.243 4.218 -2.529 518 HG1 THR 76 HG1 THR 76 -4.077 3.679 -1.842 519 1HG2 THR 76 1HG2 THR 76 -1.601 1.235 -2.466 520 2HG2 THR 76 2HG2 THR 76 -2.349 2.118 -3.811 521 3HG2 THR 76 3HG2 THR 76 -0.680 2.494 -3.328 522 H CYS 77 HN CYS 77 -1.527 5.906 -1.111 523 HA CYS 77 HA CYS 77 0.996 6.554 -2.185 524 1HB CYS 77 2HB CYS 77 -0.849 8.391 -0.720 525 2HB CYS 77 3HB CYS 77 0.448 8.792 -1.838 526 H HIS 78 HN HIS 78 2.947 6.689 -1.240 527 HA HIS 78 HA HIS 78 4.582 7.086 0.231 528 1HB HIS 78 2HB HIS 78 2.527 8.333 2.078 529 2HB HIS 78 3HB HIS 78 4.265 8.398 2.232 530 HD1 HIS 78 HND HIS 78 5.522 10.215 0.900 531 HD2 HIS 78 HD HIS 78 1.472 9.740 -0.106 532 HE1 HIS 78 HE HIS 78 4.950 12.088 -0.749 533 H ALA 79 HN ALA 79 4.525 4.683 0.154 534 HA ALA 79 HA ALA 79 4.683 3.635 2.927 535 1HB ALA 79 1HB ALA 79 3.237 2.338 0.579 536 2HB ALA 79 2HB ALA 79 3.706 1.487 2.062 537 3HB ALA 79 3HB ALA 79 2.534 2.825 2.134 538 H TYR 80 HN TYR 80 6.654 2.766 3.228 539 HA TYR 80 HA TYR 80 8.355 1.876 0.908 540 1HB TYR 80 2HB TYR 80 9.005 2.897 3.697 541 2HB TYR 80 3HB TYR 80 10.161 2.174 2.585 542 HD1 TYR 80 HD2 TYR 80 10.657 3.227 0.392 543 HD2 TYR 80 HD1 TYR 80 8.259 5.211 3.368 544 HE1 TYR 80 HE2 TYR 80 10.975 5.379 -0.789 545 HE2 TYR 80 HE1 TYR 80 8.659 7.386 2.234 546 HH TYR 80 HOH TYR 80 10.697 7.645 -0.701 547 HA PRO 81 HA PRO 81 7.479 -2.049 2.887 548 1HB PRO 81 2HB PRO 81 8.900 -3.656 1.073 549 2HB PRO 81 3HB PRO 81 7.211 -3.117 0.914 550 1HG PRO 81 2HG PRO 81 9.611 -2.134 -0.577 551 2HG PRO 81 3HG PRO 81 7.855 -1.971 -0.904 552 1HD PRO 81 2HD PRO 81 9.543 0.023 0.134 553 2HD PRO 81 3HD PRO 81 7.781 0.062 -0.129 554 H THR 82 HN THR 82 8.543 -3.006 4.645 555 HA THR 82 HA THR 82 11.516 -2.634 4.746 556 HB THR 82 HB THR 82 11.324 -2.757 7.135 557 HG1 THR 82 HG1 THR 82 8.697 -3.433 6.579 558 1HG2 THR 82 2HG2 THR 82 11.210 -0.604 5.908 559 2HG2 THR 82 3HG2 THR 82 9.439 -0.701 5.913 560 3HG2 THR 82 1HG2 THR 82 10.316 -0.571 7.446 561 H SER 83 HN SER 83 9.233 -5.120 4.217 562 HA SER 83 HA SER 83 11.331 -7.028 3.995 563 1HB SER 83 2HB SER 83 9.128 -7.559 6.070 564 2HB SER 83 3HB SER 83 10.302 -8.758 5.514 565 HG SER 83 HOG SER 83 11.628 -6.588 6.350 566 H ASP 84 HN ASP 84 9.876 -9.315 3.552 567 HA ASP 84 HA ASP 84 8.210 -8.781 1.283 568 1HB ASP 84 2HB ASP 84 7.672 -11.210 1.580 569 2HB ASP 84 3HB ASP 84 9.404 -10.874 1.444 570 H VAL 85 HN VAL 85 6.089 -8.359 1.298 571 HA VAL 85 HA VAL 85 4.514 -8.538 3.822 572 HB VAL 85 HB VAL 85 5.044 -6.035 2.193 573 1HG1 VAL 85 1HG1 VAL 85 2.584 -6.109 2.587 574 2HG1 VAL 85 2HG1 VAL 85 2.944 -6.039 4.329 575 3HG1 VAL 85 3HG1 VAL 85 3.430 -4.738 3.242 576 1HG2 VAL 85 3HG2 VAL 85 6.185 -6.858 4.626 577 2HG2 VAL 85 1HG2 VAL 85 6.455 -5.407 3.663 578 3HG2 VAL 85 2HG2 VAL 85 5.168 -5.422 4.870 579 H VAL 86 HN VAL 86 2.281 -8.412 3.591 580 HA VAL 86 HA VAL 86 1.281 -8.985 0.854 581 HB VAL 86 HB VAL 86 0.386 -10.426 3.393 582 1HG1 VAL 86 1HG1 VAL 86 -0.256 -10.640 0.440 583 2HG1 VAL 86 2HG1 VAL 86 -0.677 -11.931 1.587 584 3HG1 VAL 86 3HG1 VAL 86 -1.393 -10.317 1.721 585 1HG2 VAL 86 1HG2 VAL 86 2.234 -11.377 1.149 586 2HG2 VAL 86 2HG2 VAL 86 2.656 -11.207 2.867 587 3HG2 VAL 86 3HG2 VAL 86 1.497 -12.440 2.368 588 H ILE 87 HN ILE 87 -0.148 -7.420 0.359 589 HA ILE 87 HA ILE 87 -1.987 -6.469 2.434 590 HB ILE 87 HB ILE 87 -0.440 -4.758 2.445 591 1HG1 ILE 87 2HG1 ILE 87 -2.837 -3.989 1.711 592 2HG1 ILE 87 3HG1 ILE 87 -1.495 -2.854 1.756 593 1HG2 ILE 87 3HG2 ILE 87 0.002 -5.077 -0.455 594 2HG2 ILE 87 1HG2 ILE 87 0.631 -3.705 0.496 595 3HG2 ILE 87 2HG2 ILE 87 1.161 -5.351 0.854 596 1HD1 ILE 87 HD1 ILE 87 -2.100 -4.362 -0.771 597 2HD1 ILE 87 HD2 ILE 87 -2.888 -2.838 -0.395 598 3HD1 ILE 87 HD3 ILE 87 -1.136 -2.894 -0.534 599 H GLU 88 HN GLU 88 -4.039 -5.826 1.548 600 HA GLU 88 HA GLU 88 -4.574 -6.691 -1.254 601 1HB GLU 88 2HB GLU 88 -6.504 -5.821 0.858 602 2HB GLU 88 3HB GLU 88 -6.904 -6.683 -0.649 603 1HG GLU 88 2HG GLU 88 -5.952 -8.723 0.391 604 2HG GLU 88 3HG GLU 88 -5.492 -7.769 1.812 605 H THR 89 HN THR 89 -5.139 -5.114 -2.778 606 HA THR 89 HA THR 89 -4.882 -2.271 -1.816 607 HB THR 89 HB THR 89 -4.437 -1.653 -4.144 608 HG1 THR 89 HG1 THR 89 -5.051 -4.351 -4.709 609 1HG2 THR 89 3HG2 THR 89 -2.951 -4.194 -3.388 610 2HG2 THR 89 1HG2 THR 89 -2.504 -3.022 -4.636 611 3HG2 THR 89 2HG2 THR 89 -2.536 -2.527 -2.933 612 H HIS 90 HN HIS 90 -6.435 -0.716 -3.096 613 HA HIS 90 HA HIS 90 -8.490 0.023 -3.688 614 1HB HIS 90 2HB HIS 90 -9.276 -2.887 -4.159 615 2HB HIS 90 3HB HIS 90 -10.167 -1.457 -4.654 616 HD1 HIS 90 HND HIS 90 -6.376 -2.090 -5.257 617 HD2 HIS 90 HD HIS 90 -10.070 -1.825 -7.249 618 HE1 HIS 90 HE HIS 90 -5.847 -2.243 -7.686 619 H LYS 91 HN LYS 91 -8.031 0.136 -1.093 620 HA LYS 91 HA LYS 91 -10.550 -0.808 0.245 621 1HB LYS 91 2HB LYS 91 -7.777 -0.450 1.438 622 2HB LYS 91 3HB LYS 91 -9.179 -1.139 2.242 623 1HG LYS 91 2HG LYS 91 -7.872 -2.369 -0.241 624 2HG LYS 91 3HG LYS 91 -7.626 -2.888 1.418 625 1HD LYS 91 2HD LYS 91 -9.785 -3.432 1.787 626 2HD LYS 91 3HD LYS 91 -10.380 -2.846 0.230 627 1HE LYS 91 2HE LYS 91 -9.557 -4.579 -1.015 628 2HE LYS 91 3HE LYS 91 -8.247 -4.867 0.120 629 1HZ LYS 91 1HNZ LYS 91 -9.816 -5.714 1.709 630 2HZ LYS 91 2HNZ LYS 91 -11.081 -5.466 0.734 631 3HZ LYS 91 3HNZ LYS 91 -9.830 -6.630 0.412 632 H GLU 92 HN GLU 92 -9.916 1.738 -1.123 633 HA GLU 92 HA GLU 92 -9.840 3.948 0.599 634 1HB GLU 92 2HB GLU 92 -9.819 4.008 -1.844 635 2HB GLU 92 3HB GLU 92 -11.411 3.320 -1.969 636 1HG GLU 92 2HG GLU 92 -11.069 5.901 -0.431 637 2HG GLU 92 3HG GLU 92 -10.960 5.932 -2.218 638 H GLU 93 HN GLU 93 -12.943 2.671 -0.696 639 HA GLU 93 HA GLU 93 -14.243 3.574 1.675 640 1HB GLU 93 2HB GLU 93 -15.018 3.174 -0.975 641 2HB GLU 93 3HB GLU 93 -15.838 1.836 -0.178 642 1HG GLU 93 2HG GLU 93 -16.728 3.613 1.471 643 2HG GLU 93 3HG GLU 93 -16.042 4.816 0.353 644 H GLU 94 HN GLU 94 -12.352 1.636 2.369 645 HA GLU 94 HA GLU 94 -14.096 -0.185 3.925 646 1HB GLU 94 2HB GLU 94 -11.311 -0.871 2.868 647 2HB GLU 94 3HB GLU 94 -12.108 -1.639 4.230 648 1HG GLU 94 2HG GLU 94 -13.977 -2.335 2.676 649 2HG GLU 94 3HG GLU 94 -12.886 -1.895 1.359 650 H ILE 95 HN ILE 95 -11.185 1.989 3.776 651 HA ILE 95 HA ILE 95 -10.849 1.746 6.632 652 HB ILE 95 HB ILE 95 -9.046 3.276 6.380 653 1HG1 ILE 95 2HG1 ILE 95 -9.608 3.424 3.396 654 2HG1 ILE 95 3HG1 ILE 95 -10.106 4.666 4.570 655 1HG2 ILE 95 1HG2 ILE 95 -8.807 0.954 5.986 656 2HG2 ILE 95 2HG2 ILE 95 -9.040 1.087 4.235 657 3HG2 ILE 95 3HG2 ILE 95 -7.625 1.823 5.012 658 1HD1 ILE 95 HD1 ILE 95 -7.245 3.868 4.384 659 2HD1 ILE 95 HD2 ILE 95 -8.013 5.131 3.384 660 3HD1 ILE 95 HD3 ILE 95 -7.987 5.262 5.170 661 H VAL 96 HN VAL 96 -12.336 4.169 4.471 662 HA VAL 96 HA VAL 96 -12.688 5.976 6.787 663 HB VAL 96 HB VAL 96 -13.593 7.564 5.240 664 1HG1 VAL 96 3HG1 VAL 96 -11.066 7.314 5.526 665 2HG1 VAL 96 1HG1 VAL 96 -11.072 6.487 3.948 666 3HG1 VAL 96 2HG1 VAL 96 -11.616 8.154 4.067 667 1HG2 VAL 96 2HG2 VAL 96 -14.737 6.110 3.622 668 2HG2 VAL 96 3HG2 VAL 96 -13.607 7.203 2.804 669 3HG2 VAL 96 1HG2 VAL 96 -13.175 5.504 3.036 No H/Q in entry = 668 Start of MODEL 18 1 1H ALA 1 1HN ALA 1 15.006 -1.224 0.188 2 2H ALA 1 2HN ALA 1 16.059 -0.890 -1.033 3 2H ALA 1 3HN ALA 1 16.059 -0.890 -1.033 4 HA ALA 1 HA ALA 1 17.430 -2.839 -0.214 5 1HB ALA 1 1HB ALA 1 14.932 -3.300 1.415 6 2HB ALA 1 2HB ALA 1 16.289 -4.450 1.324 7 3HB ALA 1 3HB ALA 1 16.526 -2.831 2.024 8 H THR 2 HN THR 2 13.938 -3.328 -0.829 9 HA THR 2 HA THR 2 12.955 -3.997 -2.828 10 HB THR 2 HB THR 2 15.465 -5.376 -3.630 11 HG1 THR 2 HG1 THR 2 14.438 -2.834 -4.430 12 1HG2 THR 2 2HG2 THR 2 12.964 -4.541 -5.168 13 2HG2 THR 2 3HG2 THR 2 14.438 -5.213 -5.888 14 3HG2 THR 2 1HG2 THR 2 13.461 -6.207 -4.794 15 H TYR 3 HN TYR 3 11.383 -5.158 -1.987 16 HA TYR 3 HA TYR 3 11.980 -7.986 -1.183 17 1HB TYR 3 2HB TYR 3 10.128 -5.972 0.129 18 2HB TYR 3 3HB TYR 3 10.288 -7.656 0.592 19 HD1 TYR 3 HD2 TYR 3 12.684 -8.471 1.336 20 HD2 TYR 3 HD1 TYR 3 11.568 -4.330 1.010 21 HE1 TYR 3 HE2 TYR 3 14.361 -7.881 3.069 22 HE2 TYR 3 HE1 TYR 3 13.080 -3.780 2.903 23 HH TYR 3 HOH TYR 3 13.934 -5.023 4.847 24 H ASN 4 HN ASN 4 10.281 -9.427 -1.276 25 HA ASN 4 HA ASN 4 8.445 -9.445 -3.428 26 1HB ASN 4 2HB ASN 4 9.446 -11.470 -2.558 27 2HB ASN 4 3HB ASN 4 8.987 -11.067 -0.904 28 1HD2 ASN 4 2HND ASN 4 5.658 -12.010 -3.065 29 2HD2 ASN 4 1HND ASN 4 6.715 -10.667 -3.561 30 H VAL 5 HN VAL 5 6.979 -7.717 -3.294 31 HA VAL 5 HA VAL 5 5.240 -7.660 -0.843 32 HB VAL 5 HB VAL 5 5.477 -5.586 -3.017 33 1HG1 VAL 5 3HG1 VAL 5 3.847 -5.763 -0.427 34 2HG1 VAL 5 1HG1 VAL 5 4.083 -4.271 -1.344 35 3HG1 VAL 5 2HG1 VAL 5 3.220 -5.624 -2.082 36 1HG2 VAL 5 3HG2 VAL 5 6.463 -5.692 -0.111 37 2HG2 VAL 5 1HG2 VAL 5 7.475 -5.551 -1.564 38 3HG2 VAL 5 2HG2 VAL 5 6.405 -4.219 -1.093 39 H LYS 6 HN LYS 6 3.449 -8.975 -1.062 40 HA LYS 6 HA LYS 6 2.249 -9.302 -3.720 41 1HB LYS 6 2HB LYS 6 2.392 -11.166 -2.127 42 2HB LYS 6 3HB LYS 6 1.270 -10.289 -1.059 43 1HG LYS 6 2HG LYS 6 -0.344 -10.123 -3.071 44 2HG LYS 6 3HG LYS 6 0.781 -11.157 -3.957 45 1HD LYS 6 2HD LYS 6 -0.661 -11.846 -1.347 46 2HD LYS 6 3HD LYS 6 -1.126 -12.281 -2.974 47 1HE LYS 6 2HE LYS 6 1.384 -13.218 -3.121 48 2HE LYS 6 3HE LYS 6 1.271 -13.223 -1.368 49 1HZ LYS 6 3HNZ LYS 6 -0.723 -14.457 -3.219 50 2HZ LYS 6 1HNZ LYS 6 0.533 -15.319 -2.564 51 3HZ LYS 6 2HNZ LYS 6 -0.659 -14.691 -1.601 52 H LEU 7 HN LEU 7 0.691 -8.136 -4.530 53 HA LEU 7 HA LEU 7 -1.001 -6.465 -2.759 54 1HB LEU 7 2HB LEU 7 -0.324 -6.088 -5.692 55 2HB LEU 7 3HB LEU 7 -1.364 -5.051 -4.735 56 HG LEU 7 HG LEU 7 1.631 -5.474 -4.458 57 1HD1 LEU 7 1HD1 LEU 7 -0.085 -3.141 -5.347 58 2HD1 LEU 7 2HD1 LEU 7 1.658 -3.011 -5.013 59 3HD1 LEU 7 3HD1 LEU 7 1.086 -4.066 -6.305 60 1HD2 LEU 7 2HD2 LEU 7 -0.285 -3.885 -2.707 61 2HD2 LEU 7 3HD2 LEU 7 0.873 -5.168 -2.261 62 3HD2 LEU 7 1HD2 LEU 7 1.465 -3.592 -2.760 63 H ILE 8 HN ILE 8 -2.711 -7.631 -2.234 64 HA ILE 8 HA ILE 8 -3.904 -9.510 -4.166 65 HB ILE 8 HB ILE 8 -4.605 -8.641 -1.364 66 1HG1 ILE 8 2HG1 ILE 8 -3.736 -11.404 -2.154 67 2HG1 ILE 8 3HG1 ILE 8 -2.524 -10.144 -1.873 68 1HG2 ILE 8 1HG2 ILE 8 -5.898 -10.792 -3.102 69 2HG2 ILE 8 2HG2 ILE 8 -6.243 -10.527 -1.382 70 3HG2 ILE 8 3HG2 ILE 8 -6.680 -9.294 -2.559 71 1HD1 ILE 8 HD1 ILE 8 -4.623 -10.964 0.163 72 2HD1 ILE 8 HD2 ILE 8 -2.919 -11.457 0.151 73 3HD1 ILE 8 HD3 ILE 8 -3.339 -9.743 0.360 74 H THR 9 HN THR 9 -4.232 -8.063 -5.855 75 HA THR 9 HA THR 9 -6.056 -5.825 -5.490 76 HB THR 9 HB THR 9 -5.737 -5.577 -7.883 77 HG1 THR 9 HG1 THR 9 -5.439 -7.950 -8.254 78 1HG2 THR 9 2HG2 THR 9 -3.814 -5.142 -5.954 79 2HG2 THR 9 3HG2 THR 9 -2.942 -6.263 -7.000 80 3HG2 THR 9 1HG2 THR 9 -3.567 -4.733 -7.663 81 HA PRO 10 HA PRO 10 -9.825 -7.985 -6.119 82 1HB PRO 10 2HB PRO 10 -10.642 -6.163 -8.285 83 2HB PRO 10 3HB PRO 10 -11.446 -6.524 -6.720 84 1HG PRO 10 2HG PRO 10 -10.097 -4.255 -7.316 85 2HG PRO 10 3HG PRO 10 -10.169 -4.868 -5.646 86 1HD PRO 10 2HD PRO 10 -7.926 -4.891 -7.508 87 2HD PRO 10 3HD PRO 10 -7.944 -4.934 -5.766 88 H ASP 11 HN ASP 11 -8.121 -7.057 -9.082 89 HA ASP 11 HA ASP 11 -9.011 -8.682 -11.105 90 1HB ASP 11 2HB ASP 11 -6.240 -7.725 -10.230 91 2HB ASP 11 3HB ASP 11 -6.499 -8.591 -11.727 92 H GLY 12 HN GLY 12 -6.981 -9.429 -8.358 93 1HA GLY 12 2HA GLY 12 -7.249 -11.471 -7.356 94 2HA GLY 12 3HA GLY 12 -7.116 -12.360 -8.896 95 H GLU 13 HN GLU 13 -5.312 -9.976 -6.974 96 HA GLU 13 HA GLU 13 -3.205 -9.775 -6.210 97 1HB GLU 13 2HB GLU 13 -2.962 -12.652 -7.018 98 2HB GLU 13 3HB GLU 13 -1.703 -11.761 -6.189 99 1HG GLU 13 2HG GLU 13 -2.928 -11.562 -4.210 100 2HG GLU 13 3HG GLU 13 -4.455 -12.032 -4.973 101 H VAL 14 HN VAL 14 -1.003 -9.506 -6.879 102 HA VAL 14 HA VAL 14 -0.374 -10.032 -9.743 103 HB VAL 14 HB VAL 14 0.728 -7.802 -9.937 104 1HG1 VAL 14 3HG1 VAL 14 -1.562 -8.312 -10.872 105 2HG1 VAL 14 1HG1 VAL 14 -2.251 -7.619 -9.380 106 3HG1 VAL 14 2HG1 VAL 14 -1.306 -6.601 -10.479 107 1HG2 VAL 14 1HG2 VAL 14 -0.833 -7.218 -7.405 108 2HG2 VAL 14 2HG2 VAL 14 0.921 -6.977 -7.649 109 3HG2 VAL 14 3HG2 VAL 14 -0.246 -5.965 -8.486 110 H GLU 15 HN GLU 15 1.025 -8.680 -6.807 111 HA GLU 15 HA GLU 15 2.884 -9.023 -5.664 112 1HB GLU 15 2HB GLU 15 2.159 -11.541 -6.010 113 2HB GLU 15 3HB GLU 15 3.517 -11.585 -7.146 114 1HG GLU 15 2HG GLU 15 5.093 -11.047 -5.409 115 2HG GLU 15 3HG GLU 15 3.800 -10.666 -4.263 116 H PHE 16 HN PHE 16 4.956 -8.331 -5.688 117 HA PHE 16 HA PHE 16 6.533 -8.274 -8.109 118 1HB PHE 16 2HB PHE 16 6.328 -6.185 -8.868 119 2HB PHE 16 3HB PHE 16 4.704 -6.679 -8.644 120 HD1 PHE 16 HD1 PHE 16 3.818 -6.141 -6.062 121 HD2 PHE 16 HD2 PHE 16 7.051 -4.106 -8.067 122 HE1 PHE 16 HE1 PHE 16 3.705 -4.331 -4.469 123 HE2 PHE 16 HE2 PHE 16 6.751 -2.199 -6.636 124 HZ PHE 16 HZ PHE 16 4.951 -2.173 -4.887 125 H LYS 17 HN LYS 17 8.355 -6.445 -7.832 126 HA LYS 17 HA LYS 17 9.389 -6.899 -5.063 127 1HB LYS 17 2HB LYS 17 10.704 -7.017 -7.690 128 2HB LYS 17 3HB LYS 17 11.500 -5.950 -6.558 129 1HG LYS 17 2HG LYS 17 12.481 -8.155 -6.244 130 2HG LYS 17 3HG LYS 17 11.600 -7.612 -4.822 131 1HD LYS 17 2HD LYS 17 10.825 -9.743 -4.880 132 2HD LYS 17 3HD LYS 17 9.583 -8.947 -5.828 133 1HE LYS 17 2HE LYS 17 11.962 -10.527 -6.915 134 2HE LYS 17 3HE LYS 17 10.276 -11.062 -6.874 135 1HZ LYS 17 1HNZ LYS 17 9.745 -9.210 -8.361 136 2HZ LYS 17 2HNZ LYS 17 11.329 -8.798 -8.438 137 3HZ LYS 17 3HNZ LYS 17 10.832 -10.244 -9.038 138 H CYS 18 HN CYS 18 9.344 -5.222 -3.760 139 HA CYS 18 HA CYS 18 9.215 -2.461 -4.975 140 1HB CYS 18 2HB CYS 18 7.075 -3.308 -3.961 141 2HB CYS 18 3HB CYS 18 7.944 -3.290 -2.424 142 HG CYS 18 HSG CYS 18 7.611 -0.871 -4.695 143 H ASP 19 HN ASP 19 10.855 -1.197 -4.468 144 HA ASP 19 HA ASP 19 12.951 -1.960 -2.652 145 1HB ASP 19 2HB ASP 19 12.385 0.712 -3.941 146 2HB ASP 19 3HB ASP 19 13.838 0.237 -3.106 147 H ASP 20 HN ASP 20 13.133 -1.536 -0.565 148 HA ASP 20 HA ASP 20 11.121 -0.363 1.126 149 1HB ASP 20 2HB ASP 20 13.031 -1.685 2.019 150 2HB ASP 20 3HB ASP 20 14.116 -0.340 1.624 151 H ASP 21 HN ASP 21 13.684 0.898 -0.884 152 HA ASP 21 HA ASP 21 13.770 3.498 0.122 153 1HB ASP 21 2HB ASP 21 14.486 2.666 -2.712 154 2HB ASP 21 3HB ASP 21 15.239 3.883 -1.675 155 H VAL 22 HN VAL 22 11.252 1.989 -1.729 156 HA VAL 22 HA VAL 22 10.389 4.561 -2.931 157 HB VAL 22 HB VAL 22 11.677 2.836 -4.447 158 1HG1 VAL 22 1HG1 VAL 22 10.108 0.888 -3.794 159 2HG1 VAL 22 2HG1 VAL 22 8.888 1.671 -4.793 160 3HG1 VAL 22 3HG1 VAL 22 10.422 1.147 -5.510 161 1HG2 VAL 22 1HG2 VAL 22 10.551 4.890 -5.240 162 2HG2 VAL 22 2HG2 VAL 22 10.346 3.535 -6.375 163 3HG2 VAL 22 3HG2 VAL 22 9.013 4.001 -5.304 164 H TYR 23 HN TYR 23 8.106 4.587 -3.595 165 HA TYR 23 HA TYR 23 6.492 3.493 -1.498 166 1HB TYR 23 2HB TYR 23 5.647 4.923 -4.026 167 2HB TYR 23 3HB TYR 23 4.634 4.598 -2.624 168 HD1 TYR 23 HD2 TYR 23 6.057 5.342 -0.274 169 HD2 TYR 23 HD1 TYR 23 6.133 7.219 -4.162 170 HE1 TYR 23 HE2 TYR 23 6.486 7.533 0.782 171 HE2 TYR 23 HE1 TYR 23 6.681 9.379 -3.101 172 HH TYR 23 HOH TYR 23 7.335 10.411 -1.020 173 H VAL 24 HN VAL 24 4.861 1.954 -1.593 174 HA VAL 24 HA VAL 24 5.056 -0.108 -3.654 175 HB VAL 24 HB VAL 24 2.829 0.129 -1.615 176 1HG1 VAL 24 2HG1 VAL 24 2.928 -1.746 -3.368 177 2HG1 VAL 24 3HG1 VAL 24 4.460 -2.247 -2.607 178 3HG1 VAL 24 1HG1 VAL 24 2.946 -2.295 -1.673 179 1HG2 VAL 24 3HG2 VAL 24 5.674 -0.705 -1.078 180 2HG2 VAL 24 1HG2 VAL 24 4.673 0.443 -0.159 181 3HG2 VAL 24 2HG2 VAL 24 4.317 -1.277 -0.080 182 H LEU 25 HN LEU 25 4.685 1.734 -5.176 183 HA LEU 25 HA LEU 25 2.132 1.414 -6.511 184 1HB LEU 25 2HB LEU 25 1.282 3.092 -5.047 185 2HB LEU 25 3HB LEU 25 2.817 3.979 -5.026 186 HG LEU 25 HG LEU 25 2.428 4.652 -7.424 187 1HD1 LEU 25 3HD1 LEU 25 -0.284 3.363 -6.954 188 2HD1 LEU 25 1HD1 LEU 25 0.189 4.314 -8.381 189 3HD1 LEU 25 2HD1 LEU 25 0.945 2.747 -8.078 190 1HD2 LEU 25 3HD2 LEU 25 1.804 6.095 -5.518 191 2HD2 LEU 25 1HD2 LEU 25 0.750 6.302 -6.924 192 3HD2 LEU 25 2HD2 LEU 25 0.182 5.369 -5.515 193 H ASP 26 HN ASP 26 4.798 3.692 -6.106 194 HA ASP 26 HA ASP 26 5.106 4.544 -8.700 195 1HB ASP 26 2HB ASP 26 6.329 5.111 -6.377 196 2HB ASP 26 3HB ASP 26 7.592 4.079 -7.046 197 H GLN 27 HN GLN 27 7.038 1.949 -7.165 198 HA GLN 27 HA GLN 27 8.129 1.036 -9.644 199 1HB GLN 27 2HB GLN 27 9.308 1.022 -7.559 200 2HB GLN 27 3HB GLN 27 8.159 -0.104 -6.815 201 1HG GLN 27 2HG GLN 27 8.903 -1.902 -8.076 202 2HG GLN 27 3HG GLN 27 9.554 -0.873 -9.369 203 1HE2 GLN 27 2HNE GLN 27 12.084 -1.989 -6.394 204 2HE2 GLN 27 1HNE GLN 27 10.530 -2.774 -6.753 205 H ALA 28 HN ALA 28 5.101 0.439 -8.095 206 HA ALA 28 HA ALA 28 4.653 -2.311 -9.019 207 1HB ALA 28 2HB ALA 28 3.469 -0.848 -7.105 208 2HB ALA 28 3HB ALA 28 2.419 -0.398 -8.476 209 3HB ALA 28 1HB ALA 28 2.621 -2.099 -8.006 210 H GLU 29 HN GLU 29 3.651 1.007 -10.002 211 HA GLU 29 HA GLU 29 2.393 0.317 -12.405 212 1HB GLU 29 2HB GLU 29 3.897 2.852 -11.609 213 2HB GLU 29 3HB GLU 29 2.927 2.688 -13.082 214 1HG GLU 29 2HG GLU 29 0.923 2.154 -11.747 215 2HG GLU 29 3HG GLU 29 1.855 2.307 -10.254 216 H GLU 30 HN GLU 30 5.886 0.993 -11.759 217 HA GLU 30 HA GLU 30 6.831 0.603 -14.377 218 1HB GLU 30 2HB GLU 30 8.188 -0.138 -11.785 219 2HB GLU 30 3HB GLU 30 8.975 -0.088 -13.357 220 1HG GLU 30 2HG GLU 30 7.566 2.406 -12.350 221 2HG GLU 30 3HG GLU 30 9.168 1.969 -11.756 222 H GLU 31 HN GLU 31 5.901 -1.946 -12.075 223 HA GLU 31 HA GLU 31 6.861 -4.015 -13.928 224 1HB GLU 31 2HB GLU 31 5.008 -4.343 -11.554 225 2HB GLU 31 3HB GLU 31 5.986 -5.579 -12.357 226 1HG GLU 31 2HG GLU 31 7.699 -3.375 -11.608 227 2HG GLU 31 3HG GLU 31 6.669 -3.710 -10.263 228 H GLY 32 HN GLY 32 4.032 -2.154 -13.372 229 1HA GLY 32 2HA GLY 32 2.577 -1.826 -15.333 230 2HA GLY 32 3HA GLY 32 2.491 -3.580 -15.531 231 H ILE 33 HN ILE 33 2.519 -2.631 -12.200 232 HA ILE 33 HA ILE 33 -0.198 -3.643 -11.946 233 HB ILE 33 HB ILE 33 1.665 -2.433 -9.904 234 1HG1 ILE 33 2HG1 ILE 33 1.097 -5.306 -10.665 235 2HG1 ILE 33 3HG1 ILE 33 2.593 -4.415 -11.042 236 1HG2 ILE 33 1HG2 ILE 33 -0.900 -4.058 -9.596 237 2HG2 ILE 33 2HG2 ILE 33 0.163 -3.593 -8.252 238 3HG2 ILE 33 3HG2 ILE 33 -0.680 -2.362 -9.140 239 1HD1 ILE 33 HD2 ILE 33 1.824 -4.930 -8.179 240 2HD1 ILE 33 HD3 ILE 33 2.799 -5.988 -9.183 241 3HD1 ILE 33 HD1 ILE 33 3.337 -4.318 -8.861 242 H ASP 34 HN ASP 34 -2.036 -2.556 -11.841 243 HA ASP 34 HA ASP 34 -2.117 0.398 -11.543 244 1HB ASP 34 2HB ASP 34 -3.491 -0.692 -13.261 245 2HB ASP 34 3HB ASP 34 -4.330 -1.640 -12.013 246 H ILE 35 HN ILE 35 -2.391 1.270 -9.470 247 HA ILE 35 HA ILE 35 -3.899 -0.248 -7.493 248 HB ILE 35 HB ILE 35 -1.608 1.624 -7.155 249 1HG1 ILE 35 2HG1 ILE 35 -1.735 -1.387 -6.801 250 2HG1 ILE 35 3HG1 ILE 35 -0.635 -0.433 -7.816 251 1HG2 ILE 35 1HG2 ILE 35 -3.147 2.015 -5.447 252 2HG2 ILE 35 2HG2 ILE 35 -3.045 0.294 -4.922 253 3HG2 ILE 35 3HG2 ILE 35 -1.651 1.392 -4.799 254 1HD1 ILE 35 HD3 ILE 35 0.267 0.575 -5.636 255 2HD1 ILE 35 HD1 ILE 35 -0.571 -0.761 -4.814 256 3HD1 ILE 35 HD2 ILE 35 0.705 -1.090 -6.008 257 HA PRO 36 HA PRO 36 -6.246 3.399 -8.421 258 1HB PRO 36 2HB PRO 36 -7.995 3.564 -6.275 259 2HB PRO 36 3HB PRO 36 -8.019 2.320 -7.549 260 1HG PRO 36 2HG PRO 36 -6.927 2.044 -4.760 261 2HG PRO 36 3HG PRO 36 -7.829 0.890 -5.770 262 1HD PRO 36 2HD PRO 36 -5.079 0.961 -5.417 263 2HD PRO 36 3HD PRO 36 -5.821 0.244 -6.857 264 H TYR 37 HN TYR 37 -4.008 4.475 -8.044 265 HA TYR 37 HA TYR 37 -3.351 5.641 -5.614 266 1HB TYR 37 2HB TYR 37 -1.530 6.628 -6.704 267 2HB TYR 37 3HB TYR 37 -1.805 5.037 -7.419 268 HD1 TYR 37 HD1 TYR 37 -1.868 8.675 -7.945 269 HD2 TYR 37 HD2 TYR 37 -2.573 4.850 -9.796 270 HE1 TYR 37 HE1 TYR 37 -2.333 9.807 -10.083 271 HE2 TYR 37 HE2 TYR 37 -2.999 5.979 -11.957 272 HH TYR 37 HOH TYR 37 -2.970 9.547 -12.262 273 H SER 38 HN SER 38 -5.215 7.068 -8.255 274 HA SER 38 HA SER 38 -6.366 9.029 -8.431 275 1HB SER 38 2HB SER 38 -7.556 8.063 -6.577 276 2HB SER 38 3HB SER 38 -6.388 8.667 -5.403 277 HG SER 38 HOG SER 38 -7.154 10.627 -5.571 278 H CYS 39 HN CYS 39 -4.657 9.894 -5.458 279 HA CYS 39 HA CYS 39 -3.871 12.537 -6.553 280 1HB CYS 39 2HB CYS 39 -3.862 12.978 -3.929 281 2HB CYS 39 3HB CYS 39 -5.281 13.040 -4.944 282 H ARG 40 HN ARG 40 -1.932 12.962 -4.369 283 HA ARG 40 HA ARG 40 -0.225 10.755 -4.089 284 1HB ARG 40 2HB ARG 40 0.238 11.312 -6.610 285 2HB ARG 40 3HB ARG 40 1.177 12.627 -5.968 286 1HG ARG 40 2HG ARG 40 1.919 10.359 -4.379 287 2HG ARG 40 3HG ARG 40 1.624 9.682 -5.978 288 1HD ARG 40 2HD ARG 40 3.956 10.290 -5.702 289 2HD ARG 40 3HD ARG 40 3.221 11.363 -6.925 290 HE ARG 40 HNE ARG 40 2.867 12.622 -4.444 291 1HH1 ARG 40 2HN2 ARG 40 5.591 11.663 -6.440 292 2HH1 ARG 40 1HN2 ARG 40 6.679 12.893 -5.867 293 1HH2 ARG 40 2HN1 ARG 40 4.215 14.223 -3.622 294 2HH2 ARG 40 1HN1 ARG 40 5.854 14.422 -4.176 295 H ALA 41 HN ALA 41 -1.033 12.227 -2.067 296 HA ALA 41 HA ALA 41 1.373 13.828 -1.288 297 1HB ALA 41 3HB ALA 41 -0.291 15.365 -2.286 298 2HB ALA 41 1HB ALA 41 -1.489 14.826 -1.089 299 3HB ALA 41 2HB ALA 41 -0.023 15.685 -0.564 300 H GLY 42 HN GLY 42 -0.268 11.212 -0.335 301 1HA GLY 42 2HA GLY 42 -0.389 10.109 1.629 302 2HA GLY 42 3HA GLY 42 0.628 11.298 2.422 303 H SER 43 HN SER 43 -0.710 13.563 2.675 304 HA SER 43 HA SER 43 -2.934 12.913 4.456 305 1HB SER 43 2HB SER 43 -2.891 15.422 4.798 306 2HB SER 43 3HB SER 43 -1.404 14.567 5.217 307 HG SER 43 HOG SER 43 -1.894 15.817 2.722 308 H CYS 44 HN CYS 44 -4.006 11.928 2.417 309 HA CYS 44 HA CYS 44 -6.057 13.724 1.385 310 1HB CYS 44 2HB CYS 44 -5.403 12.986 -0.954 311 2HB CYS 44 3HB CYS 44 -4.398 14.183 -0.154 312 H SER 45 HN SER 45 -7.841 12.462 0.626 313 HA SER 45 HA SER 45 -7.942 9.904 2.121 314 1HB SER 45 2HB SER 45 -10.179 11.696 1.121 315 2HB SER 45 3HB SER 45 -10.330 10.276 2.167 316 HG SER 45 HOG SER 45 -10.271 12.144 3.430 317 H SER 46 HN SER 46 -6.963 8.540 0.356 318 HA SER 46 HA SER 46 -9.194 7.317 -0.873 319 1HB SER 46 2HB SER 46 -8.583 7.429 -3.258 320 2HB SER 46 3HB SER 46 -8.820 9.037 -2.628 321 HG SER 46 HOG SER 46 -6.236 7.855 -2.816 322 H CYS 47 HN CYS 47 -7.311 6.006 -2.933 323 HA CYS 47 HA CYS 47 -6.043 4.188 -3.140 324 1HB CYS 47 2HB CYS 47 -4.558 5.758 -1.045 325 2HB CYS 47 3HB CYS 47 -3.824 4.555 -2.117 326 H ALA 48 HN ALA 48 -4.519 4.005 -0.223 327 HA ALA 48 HA ALA 48 -4.408 2.683 1.508 328 1HB ALA 48 2HB ALA 48 -6.378 3.932 2.141 329 2HB ALA 48 3HB ALA 48 -7.435 2.703 1.428 330 3HB ALA 48 1HB ALA 48 -6.413 2.287 2.819 331 H GLY 49 HN GLY 49 -4.302 0.605 2.318 332 1HA GLY 49 2HA GLY 49 -5.634 -1.521 0.820 333 2HA GLY 49 3HA GLY 49 -3.869 -1.531 0.835 334 H LYS 50 HN LYS 50 -5.471 -3.590 1.916 335 HA LYS 50 HA LYS 50 -5.422 -3.229 4.795 336 1HB LYS 50 2HB LYS 50 -7.271 -4.255 3.213 337 2HB LYS 50 3HB LYS 50 -6.385 -5.756 3.413 338 1HG LYS 50 2HG LYS 50 -6.825 -5.846 5.750 339 2HG LYS 50 3HG LYS 50 -7.099 -4.098 5.844 340 1HD LYS 50 2HD LYS 50 -9.077 -4.431 4.266 341 2HD LYS 50 3HD LYS 50 -8.975 -6.156 4.655 342 1HE LYS 50 2HE LYS 50 -9.319 -5.665 7.050 343 2HE LYS 50 3HE LYS 50 -9.115 -3.961 6.796 344 1HZ LYS 50 1HNZ LYS 50 -11.367 -5.397 5.555 345 2HZ LYS 50 2HNZ LYS 50 -11.466 -4.437 6.908 346 3HZ LYS 50 3HNZ LYS 50 -11.093 -3.835 5.429 347 H VAL 51 HN VAL 51 -3.595 -3.780 5.840 348 HA VAL 51 HA VAL 51 -1.439 -5.338 4.699 349 HB VAL 51 HB VAL 51 -2.020 -4.516 7.608 350 1HG1 VAL 51 2HG1 VAL 51 -0.272 -6.254 7.422 351 2HG1 VAL 51 3HG1 VAL 51 0.639 -5.226 6.275 352 3HG1 VAL 51 1HG1 VAL 51 0.382 -4.706 7.964 353 1HG2 VAL 51 2HG2 VAL 51 -1.922 -2.513 6.173 354 2HG2 VAL 51 3HG2 VAL 51 -0.536 -2.570 7.262 355 3HG2 VAL 51 1HG2 VAL 51 -0.335 -3.043 5.558 356 H VAL 52 HN VAL 52 -1.755 -7.461 4.318 357 HA VAL 52 HA VAL 52 -3.584 -9.074 5.987 358 HB VAL 52 HB VAL 52 -1.820 -9.723 3.605 359 1HG1 VAL 52 1HG1 VAL 52 -3.932 -11.435 4.995 360 2HG1 VAL 52 2HG1 VAL 52 -3.147 -11.827 3.451 361 3HG1 VAL 52 3HG1 VAL 52 -2.187 -11.776 4.931 362 1HG2 VAL 52 2HG2 VAL 52 -4.774 -9.088 3.907 363 2HG2 VAL 52 3HG2 VAL 52 -3.551 -8.294 2.886 364 3HG2 VAL 52 1HG2 VAL 52 -4.122 -9.920 2.490 365 H SER 53 HN SER 53 -0.091 -8.555 5.444 366 HA SER 53 HA SER 53 0.510 -9.585 8.076 367 1HB SER 53 2HB SER 53 0.387 -11.705 6.719 368 2HB SER 53 3HB SER 53 1.671 -11.075 5.671 369 HG SER 53 HOG SER 53 2.402 -12.448 7.438 370 H GLY 54 HN GLY 54 3.263 -9.863 7.676 371 1HA GLY 54 2HA GLY 54 5.252 -8.738 7.114 372 2HA GLY 54 3HA GLY 54 4.304 -7.869 5.916 373 H SER 55 HN SER 55 5.996 -6.133 6.696 374 HA SER 55 HA SER 55 4.537 -4.320 8.426 375 1HB SER 55 2HB SER 55 7.318 -4.223 9.217 376 2HB SER 55 3HB SER 55 5.871 -4.360 10.220 377 HG SER 55 HOG SER 55 7.242 -6.519 8.991 378 H ILE 56 HN ILE 56 4.759 -2.267 7.493 379 HA ILE 56 HA ILE 56 7.094 -1.657 5.854 380 HB ILE 56 HB ILE 56 5.705 -0.875 4.036 381 1HG1 ILE 56 2HG1 ILE 56 3.294 -1.849 5.589 382 2HG1 ILE 56 3HG1 ILE 56 3.717 -0.189 5.176 383 1HG2 ILE 56 1HG2 ILE 56 6.352 -3.410 4.263 384 2HG2 ILE 56 2HG2 ILE 56 4.639 -3.590 4.665 385 3HG2 ILE 56 3HG2 ILE 56 5.120 -2.999 3.063 386 1HD1 ILE 56 HD3 ILE 56 3.761 -1.198 2.664 387 2HD1 ILE 56 HD1 ILE 56 2.737 -2.447 3.393 388 3HD1 ILE 56 HD2 ILE 56 2.221 -0.758 3.379 389 H ASP 57 HN ASP 57 7.262 0.714 5.645 390 HA ASP 57 HA ASP 57 6.165 2.025 8.091 391 1HB ASP 57 2HB ASP 57 8.626 1.826 8.002 392 2HB ASP 57 3HB ASP 57 8.642 2.686 6.448 393 H GLN 58 HN GLN 58 4.396 3.135 7.531 394 HA GLN 58 HA GLN 58 4.396 4.742 5.008 395 1HB GLN 58 2HB GLN 58 1.930 4.849 5.474 396 2HB GLN 58 3HB GLN 58 2.544 3.249 5.070 397 1HG GLN 58 2HG GLN 58 2.423 2.511 7.312 398 2HG GLN 58 3HG GLN 58 2.300 4.158 7.945 399 1HE2 GLN 58 2HNE GLN 58 -1.012 2.503 8.115 400 2HE2 GLN 58 1HNE GLN 58 0.606 2.143 8.676 401 H SER 59 HN SER 59 6.109 5.632 7.187 402 HA SER 59 HA SER 59 4.929 7.522 8.847 403 1HB SER 59 2HB SER 59 7.555 7.679 7.302 404 2HB SER 59 3HB SER 59 7.076 8.812 8.578 405 HG SER 59 HOG SER 59 7.556 6.033 8.780 406 H ASP 60 HN ASP 60 5.559 7.774 5.380 407 HA ASP 60 HA ASP 60 4.914 10.591 5.186 408 1HB ASP 60 2HB ASP 60 5.249 8.414 3.084 409 2HB ASP 60 3HB ASP 60 4.989 10.133 2.730 410 H GLN 61 HN GLN 61 2.827 8.203 5.994 411 HA GLN 61 HA GLN 61 0.629 8.490 4.340 412 1HB GLN 61 2HB GLN 61 -0.691 7.618 6.215 413 2HB GLN 61 3HB GLN 61 0.804 6.733 5.992 414 1HG GLN 61 2HG GLN 61 1.724 8.357 7.915 415 2HG GLN 61 3HG GLN 61 0.003 8.593 8.255 416 1HE2 GLN 61 2HNE GLN 61 -0.358 5.008 9.083 417 2HE2 GLN 61 1HNE GLN 61 -1.088 6.082 7.901 418 H SER 62 HN SER 62 1.271 10.263 7.404 419 HA SER 62 HA SER 62 -0.124 11.709 8.522 420 1HB SER 62 2HB SER 62 0.324 13.172 5.895 421 2HB SER 62 3HB SER 62 -0.076 13.929 7.455 422 HG SER 62 HOG SER 62 1.905 12.892 8.246 423 H PHE 63 HN PHE 63 -1.793 9.724 7.403 424 HA PHE 63 HA PHE 63 -4.308 11.228 7.027 425 1HB PHE 63 2HB PHE 63 -3.898 10.944 4.770 426 2HB PHE 63 3HB PHE 63 -3.095 9.393 4.980 427 HD1 PHE 63 HD2 PHE 63 -6.522 10.338 6.320 428 HD2 PHE 63 HD1 PHE 63 -4.296 8.334 3.215 429 HE1 PHE 63 HE2 PHE 63 -8.541 9.123 5.645 430 HE2 PHE 63 HE1 PHE 63 -6.296 7.052 2.600 431 HZ PHE 63 HZ PHE 63 -8.470 7.528 3.742 432 H LEU 64 HN LEU 64 -3.294 7.714 6.807 433 HA LEU 64 HA LEU 64 -5.671 6.899 7.914 434 1HB LEU 64 2HB LEU 64 -2.994 5.494 8.031 435 2HB LEU 64 3HB LEU 64 -4.446 4.836 8.754 436 HG LEU 64 HG LEU 64 -5.581 5.047 6.471 437 1HD1 LEU 64 1HD1 LEU 64 -2.647 5.286 5.651 438 2HD1 LEU 64 2HD1 LEU 64 -3.991 4.864 4.564 439 3HD1 LEU 64 3HD1 LEU 64 -3.944 6.464 5.329 440 1HD2 LEU 64 2HD2 LEU 64 -3.245 3.152 6.933 441 2HD2 LEU 64 3HD2 LEU 64 -4.910 2.955 7.520 442 3HD2 LEU 64 1HD2 LEU 64 -4.576 2.885 5.778 443 H ASP 65 HN ASP 65 -6.424 6.379 9.972 444 HA ASP 65 HA ASP 65 -4.972 7.627 12.244 445 1HB ASP 65 2HB ASP 65 -7.773 6.504 11.973 446 2HB ASP 65 3HB ASP 65 -7.085 7.043 13.507 447 H ASP 66 HN ASP 66 -4.999 6.442 14.291 448 HA ASP 66 HA ASP 66 -3.311 4.181 14.180 449 1HB ASP 66 2HB ASP 66 -5.008 5.434 16.384 450 2HB ASP 66 3HB ASP 66 -4.089 3.949 16.647 451 H GLU 67 HN GLU 67 -6.803 4.530 14.630 452 HA GLU 67 HA GLU 67 -7.535 1.926 15.199 453 1HB GLU 67 2HB GLU 67 -9.293 3.475 13.278 454 2HB GLU 67 3HB GLU 67 -9.674 2.604 14.762 455 1HG GLU 67 2HG GLU 67 -8.460 4.537 15.966 456 2HG GLU 67 3HG GLU 67 -8.599 5.392 14.413 457 H GLN 68 HN GLN 68 -7.519 3.457 11.936 458 HA GLN 68 HA GLN 68 -7.955 1.192 10.427 459 1HB GLN 68 2HB GLN 68 -6.338 3.651 9.769 460 2HB GLN 68 3HB GLN 68 -6.928 2.481 8.587 461 1HG GLN 68 2HG GLN 68 -9.205 2.889 9.034 462 2HG GLN 68 3HG GLN 68 -8.859 3.853 10.470 463 1HE2 GLN 68 2HNE GLN 68 -9.611 6.100 7.623 464 2HE2 GLN 68 1HNE GLN 68 -10.458 4.740 8.328 465 H MET 69 HN MET 69 -4.739 2.572 11.452 466 HA MET 69 HA MET 69 -3.152 0.633 10.148 467 1HB MET 69 2HB MET 69 -2.647 2.103 12.773 468 2HB MET 69 3HB MET 69 -1.464 1.180 11.851 469 1HG MET 69 2HG MET 69 -1.864 2.732 9.905 470 2HG MET 69 3HG MET 69 -2.966 3.629 10.894 471 1HE MET 69 HE1 MET 69 -1.914 5.804 10.541 472 2HE MET 69 HE2 MET 69 -2.278 5.673 12.276 473 3HE MET 69 HE3 MET 69 -0.749 6.410 11.744 474 H ASP 70 HN ASP 70 -4.283 0.560 13.553 475 HA ASP 70 HA ASP 70 -3.263 -1.971 14.273 476 1HB ASP 70 2HB ASP 70 -4.194 -0.243 15.844 477 2HB ASP 70 3HB ASP 70 -5.809 -0.565 15.217 478 H ALA 71 HN ALA 71 -6.324 -0.978 12.903 479 HA ALA 71 HA ALA 71 -7.737 -3.431 12.910 480 1HB ALA 71 3HB ALA 71 -7.928 -0.996 11.116 481 2HB ALA 71 1HB ALA 71 -9.167 -2.270 11.198 482 3HB ALA 71 2HB ALA 71 -8.826 -1.261 12.623 483 H GLY 72 HN GLY 72 -5.141 -2.335 10.773 484 1HA GLY 72 2HA GLY 72 -4.007 -4.181 9.687 485 2HA GLY 72 3HA GLY 72 -5.538 -4.813 9.154 486 H TYR 73 HN TYR 73 -4.789 -1.278 9.038 487 HA TYR 73 HA TYR 73 -4.810 -1.551 6.060 488 1HB TYR 73 2HB TYR 73 -5.850 0.673 7.763 489 2HB TYR 73 3HB TYR 73 -5.788 0.631 6.007 490 HD1 TYR 73 HD2 TYR 73 -6.935 -1.306 4.758 491 HD2 TYR 73 HD1 TYR 73 -7.779 -0.284 8.850 492 HE1 TYR 73 HE2 TYR 73 -9.239 -2.064 4.479 493 HE2 TYR 73 HE1 TYR 73 -10.108 -0.964 8.560 494 HH TYR 73 HOH TYR 73 -11.773 -1.157 6.413 495 H VAL 74 HN VAL 74 -3.647 0.024 4.811 496 HA VAL 74 HA VAL 74 -1.640 1.703 6.113 497 HB VAL 74 HB VAL 74 -0.769 -0.672 5.900 498 1HG1 VAL 74 1HG1 VAL 74 -1.717 -1.131 3.604 499 2HG1 VAL 74 2HG1 VAL 74 -0.505 -0.014 2.935 500 3HG1 VAL 74 3HG1 VAL 74 0.006 -1.493 3.761 501 1HG2 VAL 74 1HG2 VAL 74 0.827 1.534 4.646 502 2HG2 VAL 74 2HG2 VAL 74 0.719 1.012 6.357 503 3HG2 VAL 74 3HG2 VAL 74 1.434 -0.052 5.204 504 H LEU 75 HN LEU 75 -0.839 3.339 4.623 505 HA LEU 75 HA LEU 75 -2.549 3.733 2.304 506 1HB LEU 75 2HB LEU 75 -0.906 5.443 3.962 507 2HB LEU 75 3HB LEU 75 -0.252 5.511 2.341 508 HG LEU 75 HG LEU 75 -2.956 6.395 3.309 509 1HD1 LEU 75 3HD1 LEU 75 -0.756 7.638 1.664 510 2HD1 LEU 75 1HD1 LEU 75 -2.340 8.383 1.922 511 3HD1 LEU 75 2HD1 LEU 75 -1.292 8.051 3.302 512 1HD2 LEU 75 3HD2 LEU 75 -2.441 5.331 0.563 513 2HD2 LEU 75 1HD2 LEU 75 -3.899 5.260 1.576 514 3HD2 LEU 75 2HD2 LEU 75 -3.465 6.761 0.796 515 H THR 76 HN THR 76 -2.079 2.857 0.258 516 HA THR 76 HA THR 76 0.355 1.358 -0.105 517 HB THR 76 HB THR 76 -0.683 1.141 -2.445 518 HG1 THR 76 HG1 THR 76 -1.982 2.978 -2.526 519 1HG2 THR 76 1HG2 THR 76 -2.418 0.515 0.000 520 2HG2 THR 76 2HG2 THR 76 -2.575 -0.232 -1.595 521 3HG2 THR 76 3HG2 THR 76 -1.105 -0.499 -0.630 522 H CYS 77 HN CYS 77 -0.911 4.459 -1.316 523 HA CYS 77 HA CYS 77 1.075 5.049 -3.217 524 1HB CYS 77 2HB CYS 77 0.124 7.302 -3.058 525 2HB CYS 77 3HB CYS 77 -1.096 6.033 -3.143 526 H HIS 78 HN HIS 78 0.953 5.608 0.266 527 HA HIS 78 HA HIS 78 3.824 6.436 0.196 528 1HB HIS 78 2HB HIS 78 1.569 7.694 1.766 529 2HB HIS 78 3HB HIS 78 3.261 7.848 2.217 530 HD1 HIS 78 HND HIS 78 4.842 9.384 0.674 531 HD2 HIS 78 HD HIS 78 0.806 9.076 -0.491 532 HE1 HIS 78 HE HIS 78 4.433 11.202 -1.050 533 H ALA 79 HN ALA 79 3.934 4.014 0.350 534 HA ALA 79 HA ALA 79 4.462 3.448 3.209 535 1HB ALA 79 2HB ALA 79 2.961 1.621 1.298 536 2HB ALA 79 3HB ALA 79 3.880 1.033 2.702 537 3HB ALA 79 1HB ALA 79 2.514 2.114 2.955 538 H TYR 80 HN TYR 80 6.418 2.514 3.506 539 HA TYR 80 HA TYR 80 8.086 1.842 1.133 540 1HB TYR 80 2HB TYR 80 8.752 2.694 3.981 541 2HB TYR 80 3HB TYR 80 9.918 2.203 2.782 542 HD1 TYR 80 HD2 TYR 80 9.726 3.571 0.417 543 HD2 TYR 80 HD1 TYR 80 8.485 4.991 4.302 544 HE1 TYR 80 HE2 TYR 80 9.755 5.879 -0.419 545 HE2 TYR 80 HE1 TYR 80 8.658 7.316 3.496 546 HH TYR 80 HOH TYR 80 8.693 8.635 1.575 547 HA PRO 81 HA PRO 81 7.458 -2.204 2.924 548 1HB PRO 81 2HB PRO 81 8.796 -3.644 0.901 549 2HB PRO 81 3HB PRO 81 7.069 -3.187 0.950 550 1HG PRO 81 2HG PRO 81 9.291 -2.009 -0.646 551 2HG PRO 81 3HG PRO 81 7.529 -1.899 -0.877 552 1HD PRO 81 2HD PRO 81 9.138 0.127 0.111 553 2HD PRO 81 3HD PRO 81 7.368 0.050 0.128 554 H THR 82 HN THR 82 8.638 -2.684 4.778 555 HA THR 82 HA THR 82 11.573 -2.388 4.639 556 HB THR 82 HB THR 82 11.524 -2.545 7.034 557 HG1 THR 82 HG1 THR 82 8.813 -3.304 6.706 558 1HG2 THR 82 2HG2 THR 82 11.024 -0.370 6.004 559 2HG2 THR 82 3HG2 THR 82 9.289 -0.716 6.056 560 3HG2 THR 82 1HG2 THR 82 10.203 -0.560 7.567 561 H SER 83 HN SER 83 9.306 -4.909 4.229 562 HA SER 83 HA SER 83 11.378 -6.862 4.077 563 1HB SER 83 2HB SER 83 9.105 -7.278 6.080 564 2HB SER 83 3HB SER 83 10.266 -8.522 5.595 565 HG SER 83 HOG SER 83 11.602 -6.323 6.377 566 H ASP 84 HN ASP 84 9.975 -9.129 3.578 567 HA ASP 84 HA ASP 84 8.357 -8.583 1.269 568 1HB ASP 84 2HB ASP 84 7.965 -11.056 1.435 569 2HB ASP 84 3HB ASP 84 9.676 -10.604 1.360 570 H VAL 85 HN VAL 85 6.220 -8.185 1.296 571 HA VAL 85 HA VAL 85 4.654 -8.643 3.796 572 HB VAL 85 HB VAL 85 4.974 -5.916 2.475 573 1HG1 VAL 85 3HG1 VAL 85 2.931 -6.701 4.490 574 2HG1 VAL 85 1HG1 VAL 85 3.300 -5.055 4.019 575 3HG1 VAL 85 2HG1 VAL 85 2.627 -6.139 2.838 576 1HG2 VAL 85 3HG2 VAL 85 6.078 -7.117 4.905 577 2HG2 VAL 85 1HG2 VAL 85 6.627 -5.780 3.895 578 3HG2 VAL 85 2HG2 VAL 85 5.325 -5.526 5.046 579 H VAL 86 HN VAL 86 2.383 -8.476 3.605 580 HA VAL 86 HA VAL 86 1.354 -9.119 0.891 581 HB VAL 86 HB VAL 86 0.487 -10.433 3.502 582 1HG1 VAL 86 3HG1 VAL 86 -1.143 -10.283 1.523 583 2HG1 VAL 86 1HG1 VAL 86 0.019 -11.267 0.626 584 3HG1 VAL 86 2HG1 VAL 86 -0.762 -11.928 2.071 585 1HG2 VAL 86 2HG2 VAL 86 2.385 -11.495 1.361 586 2HG2 VAL 86 3HG2 VAL 86 2.755 -11.238 3.080 587 3HG2 VAL 86 1HG2 VAL 86 1.611 -12.498 2.606 588 H ILE 87 HN ILE 87 -0.027 -7.465 0.391 589 HA ILE 87 HA ILE 87 -1.881 -6.536 2.458 590 HB ILE 87 HB ILE 87 -0.310 -4.893 2.604 591 1HG1 ILE 87 2HG1 ILE 87 -2.646 -3.993 1.869 592 2HG1 ILE 87 3HG1 ILE 87 -1.269 -2.902 1.991 593 1HG2 ILE 87 3HG2 ILE 87 0.238 -4.988 -0.296 594 2HG2 ILE 87 1HG2 ILE 87 0.868 -3.737 0.800 595 3HG2 ILE 87 2HG2 ILE 87 1.330 -5.430 1.021 596 1HD1 ILE 87 HD1 ILE 87 -1.885 -4.283 -0.616 597 2HD1 ILE 87 HD2 ILE 87 -2.626 -2.751 -0.192 598 3HD1 ILE 87 HD3 ILE 87 -0.871 -2.866 -0.304 599 H GLU 88 HN GLU 88 -3.875 -5.786 1.606 600 HA GLU 88 HA GLU 88 -4.466 -6.577 -1.222 601 1HB GLU 88 2HB GLU 88 -6.397 -5.644 0.857 602 2HB GLU 88 3HB GLU 88 -6.779 -6.562 -0.613 603 1HG GLU 88 2HG GLU 88 -5.754 -8.556 0.510 604 2HG GLU 88 3HG GLU 88 -5.402 -7.529 1.911 605 H THR 89 HN THR 89 -4.789 -4.918 -2.709 606 HA THR 89 HA THR 89 -4.615 -2.105 -1.689 607 HB THR 89 HB THR 89 -4.335 -1.416 -3.997 608 HG1 THR 89 HG1 THR 89 -4.991 -4.104 -4.555 609 1HG2 THR 89 3HG2 THR 89 -2.649 -3.860 -3.360 610 2HG2 THR 89 1HG2 THR 89 -2.315 -2.648 -4.615 611 3HG2 THR 89 2HG2 THR 89 -2.308 -2.181 -2.907 612 H HIS 90 HN HIS 90 -6.181 -0.524 -2.941 613 HA HIS 90 HA HIS 90 -8.218 0.215 -3.563 614 1HB HIS 90 2HB HIS 90 -9.042 -2.699 -3.966 615 2HB HIS 90 3HB HIS 90 -9.932 -1.272 -4.473 616 HD1 HIS 90 HND HIS 90 -6.156 -1.727 -5.207 617 HD2 HIS 90 HD HIS 90 -9.938 -1.898 -7.026 618 HE1 HIS 90 HE HIS 90 -5.726 -2.193 -7.636 619 H LYS 91 HN LYS 91 -7.763 0.405 -0.963 620 HA LYS 91 HA LYS 91 -10.286 -0.537 0.370 621 1HB LYS 91 2HB LYS 91 -7.526 -0.205 1.573 622 2HB LYS 91 3HB LYS 91 -8.939 -0.838 2.391 623 1HG LYS 91 2HG LYS 91 -7.636 -2.141 -0.057 624 2HG LYS 91 3HG LYS 91 -7.446 -2.652 1.614 625 1HD LYS 91 2HD LYS 91 -9.588 -3.260 1.903 626 2HD LYS 91 3HD LYS 91 -10.178 -2.537 0.423 627 1HE LYS 91 2HE LYS 91 -9.463 -4.096 -1.003 628 2HE LYS 91 3HE LYS 91 -8.113 -4.603 0.005 629 1HZ LYS 91 1HNZ LYS 91 -10.846 -5.096 0.931 630 2HZ LYS 91 2HNZ LYS 91 -10.148 -6.122 -0.170 631 3HZ LYS 91 3HNZ LYS 91 -9.439 -5.925 1.275 632 H GLU 92 HN GLU 92 -9.196 2.138 -0.908 633 HA GLU 92 HA GLU 92 -9.597 4.294 0.587 634 1HB GLU 92 2HB GLU 92 -9.425 4.210 -1.816 635 2HB GLU 92 3HB GLU 92 -10.986 3.445 -1.994 636 1HG GLU 92 2HG GLU 92 -11.055 6.069 -0.558 637 2HG GLU 92 3HG GLU 92 -10.400 6.142 -2.217 638 H GLU 93 HN GLU 93 -12.693 2.909 -0.723 639 HA GLU 93 HA GLU 93 -14.002 3.743 1.758 640 1HB GLU 93 2HB GLU 93 -15.125 2.396 -0.747 641 2HB GLU 93 3HB GLU 93 -16.080 2.802 0.680 642 1HG GLU 93 2HG GLU 93 -15.358 5.214 0.409 643 2HG GLU 93 3HG GLU 93 -14.753 4.752 -1.189 644 H GLU 94 HN GLU 94 -12.020 1.758 2.254 645 HA GLU 94 HA GLU 94 -13.835 0.011 3.818 646 1HB GLU 94 2HB GLU 94 -11.105 -0.702 2.661 647 2HB GLU 94 3HB GLU 94 -11.731 -1.397 4.134 648 1HG GLU 94 2HG GLU 94 -13.799 -2.096 2.746 649 2HG GLU 94 3HG GLU 94 -12.742 -1.808 1.359 650 H ILE 95 HN ILE 95 -10.938 2.173 3.722 651 HA ILE 95 HA ILE 95 -10.612 1.848 6.559 652 HB ILE 95 HB ILE 95 -8.868 3.468 6.384 653 1HG1 ILE 95 2HG1 ILE 95 -9.372 3.626 3.388 654 2HG1 ILE 95 3HG1 ILE 95 -9.904 4.854 4.559 655 1HG2 ILE 95 2HG2 ILE 95 -8.626 1.097 5.901 656 2HG2 ILE 95 3HG2 ILE 95 -8.684 1.389 4.158 657 3HG2 ILE 95 1HG2 ILE 95 -7.364 2.060 5.147 658 1HD1 ILE 95 HD2 ILE 95 -7.009 4.058 4.371 659 2HD1 ILE 95 HD3 ILE 95 -7.785 5.346 3.428 660 3HD1 ILE 95 HD1 ILE 95 -7.757 5.423 5.217 661 H VAL 96 HN VAL 96 -12.128 4.376 4.541 662 HA VAL 96 HA VAL 96 -12.431 6.050 6.964 663 HB VAL 96 HB VAL 96 -13.370 7.724 5.520 664 1HG1 VAL 96 2HG1 VAL 96 -10.839 7.462 5.839 665 2HG1 VAL 96 3HG1 VAL 96 -10.811 6.781 4.199 666 3HG1 VAL 96 1HG1 VAL 96 -11.376 8.427 4.458 667 1HG2 VAL 96 2HG2 VAL 96 -14.467 6.324 3.808 668 2HG2 VAL 96 3HG2 VAL 96 -13.385 7.520 3.075 669 3HG2 VAL 96 1HG2 VAL 96 -12.882 5.825 3.186 No H/Q in entry = 668
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