NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
17596 | 2cqx | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H GLY 1 -42.994 11.441 7.778 2 1HA GLY 1 1HA GLY 1 -43.377 11.084 4.887 3 2HA GLY 1 2HA GLY 1 -42.433 12.455 5.450 4 H SER 2 H SER 2 -40.589 11.695 4.357 5 HA SER 2 HA SER 2 -38.863 10.094 5.904 6 1HB SER 2 1HB SER 2 -40.511 8.425 4.680 7 2HB SER 2 2HB SER 2 -39.434 8.713 3.314 8 HG SER 2 HG SER 2 -38.333 7.172 4.261 9 H SER 3 H SER 3 -36.868 9.422 4.441 10 HA SER 3 HA SER 3 -36.341 10.979 2.132 11 1HB SER 3 1HB SER 3 -34.702 12.545 3.080 12 2HB SER 3 2HB SER 3 -36.301 12.816 3.772 13 HG SER 3 HG SER 3 -34.016 11.684 4.950 14 H GLY 4 H GLY 4 -33.853 11.017 1.715 15 1HA GLY 4 1HA GLY 4 -32.516 8.710 2.924 16 2HA GLY 4 2HA GLY 4 -32.805 8.664 1.191 17 H SER 5 H SER 5 -30.472 8.493 1.016 18 HA SER 5 HA SER 5 -29.266 11.120 0.747 19 1HB SER 5 1HB SER 5 -28.395 9.105 2.759 20 2HB SER 5 2HB SER 5 -27.135 9.977 1.886 21 HG SER 5 HG SER 5 -29.254 11.451 2.954 22 H SER 6 H SER 6 -27.431 11.145 -0.632 23 HA SER 6 HA SER 6 -26.703 8.656 -1.962 24 1HB SER 6 1HB SER 6 -28.036 10.987 -3.332 25 2HB SER 6 2HB SER 6 -27.010 9.856 -4.216 26 HG SER 6 HG SER 6 -28.558 8.439 -4.153 27 H GLY 7 H GLY 7 -24.825 8.912 -3.395 28 1HA GLY 7 1HA GLY 7 -23.259 11.348 -2.913 29 2HA GLY 7 2HA GLY 7 -22.571 9.803 -2.437 30 H GLY 8 H GLY 8 -20.876 9.717 -3.843 31 1HA GLY 8 1HA GLY 8 -20.835 8.527 -6.179 32 2HA GLY 8 2HA GLY 8 -21.409 10.105 -6.698 33 H ILE 9 H ILE 9 -20.010 11.871 -6.669 34 HA ILE 9 HA ILE 9 -17.268 11.245 -7.085 35 HB ILE 9 HB ILE 9 -18.583 13.946 -6.770 36 1HG1 ILE 9 1HG1 ILE 9 -18.110 13.803 -9.376 37 2HG1 ILE 9 2HG1 ILE 9 -18.215 12.073 -9.067 38 1HG2 ILE 9 1HG2 ILE 9 -15.943 13.312 -8.069 39 2HG2 ILE 9 2HG2 ILE 9 -16.628 14.900 -7.728 40 3HG2 ILE 9 3HG2 ILE 9 -16.100 13.864 -6.402 41 1HD1 ILE 9 1HD1 ILE 9 -20.380 13.742 -7.959 42 2HD1 ILE 9 2HD1 ILE 9 -20.318 13.574 -9.714 43 3HD1 ILE 9 3HD1 ILE 9 -20.437 12.140 -8.694 44 H LYS 10 H LYS 10 -15.598 11.269 -5.720 45 HA LYS 10 HA LYS 10 -15.924 12.588 -3.111 46 1HB LYS 10 1HB LYS 10 -14.941 9.795 -3.667 47 2HB LYS 10 2HB LYS 10 -14.541 10.642 -2.179 48 1HG LYS 10 1HG LYS 10 -17.366 10.202 -3.106 49 2HG LYS 10 2HG LYS 10 -16.500 9.074 -2.060 50 1HD LYS 10 1HD LYS 10 -16.107 10.998 -0.488 51 2HD LYS 10 2HD LYS 10 -17.216 11.944 -1.484 52 1HE LYS 10 1HE LYS 10 -18.818 9.917 -1.113 53 2HE LYS 10 2HE LYS 10 -17.770 9.585 0.265 54 1HZ LYS 10 1HZ LYS 10 -19.831 11.064 0.591 55 2HZ LYS 10 2HZ LYS 10 -18.899 12.278 -0.127 56 3HZ LYS 10 3HZ LYS 10 -18.372 11.542 1.302 57 H ASP 11 H ASP 11 -13.740 12.760 -1.965 58 HA ASP 11 HA ASP 11 -11.948 14.145 -3.697 59 1HB ASP 11 1HB ASP 11 -11.785 13.390 -0.777 60 2HB ASP 11 2HB ASP 11 -10.539 14.324 -1.600 61 H SER 12 H SER 12 -9.559 13.702 -3.665 62 HA SER 12 HA SER 12 -8.929 10.841 -3.554 63 1HB SER 12 1HB SER 12 -8.474 12.651 -5.934 64 2HB SER 12 2HB SER 12 -7.697 11.079 -5.741 65 HG SER 12 HG SER 12 -9.880 11.370 -6.918 66 HA PRO 13 HA PRO 13 -5.225 12.204 -1.620 67 1HB PRO 13 1HB PRO 13 -3.601 10.105 -2.190 68 2HB PRO 13 2HB PRO 13 -4.908 10.013 -1.004 69 1HG PRO 13 1HG PRO 13 -4.863 9.083 -3.850 70 2HG PRO 13 2HG PRO 13 -5.519 8.270 -2.417 71 1HD PRO 13 1HD PRO 13 -7.084 9.600 -4.181 72 2HD PRO 13 2HD PRO 13 -7.464 9.507 -2.449 73 H VAL 14 H VAL 14 -3.916 13.756 -2.331 74 HA VAL 14 HA VAL 14 -3.030 13.799 -5.092 75 HB VAL 14 HB VAL 14 -2.513 15.780 -2.870 76 1HG1 VAL 14 1HG1 VAL 14 -2.203 16.149 -5.845 77 2HG1 VAL 14 2HG1 VAL 14 -1.780 17.296 -4.572 78 3HG1 VAL 14 3HG1 VAL 14 -0.869 15.796 -4.747 79 1HG2 VAL 14 1HG2 VAL 14 -4.505 15.942 -5.127 80 2HG2 VAL 14 2HG2 VAL 14 -4.909 15.484 -3.473 81 3HG2 VAL 14 3HG2 VAL 14 -4.287 17.099 -3.814 82 H ASN 15 H ASN 15 -1.356 14.254 -1.970 83 HA ASN 15 HA ASN 15 1.211 13.743 -3.072 84 1HB ASN 15 1HB ASN 15 1.978 13.730 -0.726 85 2HB ASN 15 2HB ASN 15 0.939 15.111 -1.066 86 1HD2 ASN 15 1HD2 ASN 15 1.265 14.542 1.481 87 2HD2 ASN 15 2HD2 ASN 15 -0.130 13.778 2.155 88 H LYS 16 H LYS 16 2.471 11.926 -3.046 89 HA LYS 16 HA LYS 16 1.057 9.408 -2.671 90 1HB LYS 16 1HB LYS 16 3.590 10.232 -4.038 91 2HB LYS 16 2HB LYS 16 3.362 8.546 -3.592 92 1HG LYS 16 1HG LYS 16 1.332 10.058 -5.204 93 2HG LYS 16 2HG LYS 16 2.700 9.225 -5.945 94 1HD LYS 16 1HD LYS 16 1.966 7.123 -4.910 95 2HD LYS 16 2HD LYS 16 0.589 7.964 -4.194 96 1HE LYS 16 1HE LYS 16 0.164 8.658 -6.708 97 2HE LYS 16 2HE LYS 16 1.094 7.194 -7.024 98 1HZ LYS 16 1HZ LYS 16 -0.935 6.259 -6.870 99 2HZ LYS 16 2HZ LYS 16 -1.573 7.493 -5.905 100 3HZ LYS 16 3HZ LYS 16 -0.610 6.288 -5.210 101 H VAL 17 H VAL 17 1.488 7.937 -1.118 102 HA VAL 17 HA VAL 17 2.628 8.644 1.293 103 HB VAL 17 HB VAL 17 2.614 6.299 1.897 104 1HG1 VAL 17 1HG1 VAL 17 0.255 5.718 1.037 105 2HG1 VAL 17 2HG1 VAL 17 0.462 7.180 2.004 106 3HG1 VAL 17 3HG1 VAL 17 0.318 7.295 0.250 107 1HG2 VAL 17 1HG2 VAL 17 3.623 5.235 0.045 108 2HG2 VAL 17 2HG2 VAL 17 1.976 4.610 0.119 109 3HG2 VAL 17 3HG2 VAL 17 2.398 5.843 -1.069 110 H GLU 18 H GLU 18 4.106 6.691 -1.295 111 HA GLU 18 HA GLU 18 6.707 7.751 -0.732 112 1HB GLU 18 1HB GLU 18 5.922 5.069 0.285 113 2HB GLU 18 2HB GLU 18 7.517 5.220 -0.438 114 1HG GLU 18 1HG GLU 18 6.423 6.601 1.983 115 2HG GLU 18 2HG GLU 18 7.847 5.571 1.846 116 HA PRO 19 HA PRO 19 7.451 6.627 -4.906 117 1HB PRO 19 1HB PRO 19 10.092 6.000 -4.893 118 2HB PRO 19 2HB PRO 19 9.498 7.655 -4.724 119 1HG PRO 19 1HG PRO 19 10.415 5.747 -2.608 120 2HG PRO 19 2HG PRO 19 10.761 7.478 -2.779 121 1HD PRO 19 1HD PRO 19 8.889 6.528 -1.069 122 2HD PRO 19 2HD PRO 19 8.732 8.100 -1.879 123 H ASN 20 H ASN 20 7.340 4.348 -2.538 124 HA ASN 20 HA ASN 20 8.361 2.105 -4.052 125 1HB ASN 20 1HB ASN 20 7.210 2.505 -1.332 126 2HB ASN 20 2HB ASN 20 7.109 0.894 -2.036 127 1HD2 ASN 20 1HD2 ASN 20 9.637 3.332 -2.380 128 2HD2 ASN 20 2HD2 ASN 20 10.899 2.377 -1.687 129 H ASP 21 H ASP 21 6.074 3.771 -5.039 130 HA ASP 21 HA ASP 21 3.598 2.675 -4.882 131 1HB ASP 21 1HB ASP 21 3.872 4.562 -6.283 132 2HB ASP 21 2HB ASP 21 5.074 3.747 -7.281 133 H THR 22 H THR 22 6.361 1.358 -6.612 134 HA THR 22 HA THR 22 5.379 -0.530 -8.247 135 HB THR 22 HB THR 22 7.636 -0.825 -6.269 136 HG1 THR 22 1HG THR 22 8.689 -0.767 -8.526 137 1HG2 THR 22 1HG2 THR 22 6.709 -3.055 -6.866 138 2HG2 THR 22 2HG2 THR 22 8.355 -2.804 -7.448 139 3HG2 THR 22 3HG2 THR 22 6.996 -2.678 -8.565 140 H LEU 23 H LEU 23 5.041 -0.497 -4.792 141 HA LEU 23 HA LEU 23 4.242 -3.236 -4.535 142 1HB LEU 23 1HB LEU 23 4.200 -0.841 -2.744 143 2HB LEU 23 2HB LEU 23 3.337 -2.307 -2.285 144 HG LEU 23 HG LEU 23 5.342 -3.551 -2.123 145 1HD1 LEU 23 1HD1 LEU 23 6.467 -2.802 -4.115 146 2HD1 LEU 23 2HD1 LEU 23 7.539 -2.594 -2.730 147 3HD1 LEU 23 3HD1 LEU 23 6.709 -1.199 -3.421 148 1HD2 LEU 23 1HD2 LEU 23 5.031 -1.063 -0.716 149 2HD2 LEU 23 2HD2 LEU 23 6.740 -1.469 -0.879 150 3HD2 LEU 23 3HD2 LEU 23 5.628 -2.616 -0.129 151 H GLU 24 H GLU 24 2.507 -0.128 -4.502 152 HA GLU 24 HA GLU 24 -0.042 -0.792 -4.033 153 1HB GLU 24 1HB GLU 24 0.503 1.459 -4.643 154 2HB GLU 24 2HB GLU 24 0.989 0.966 -6.258 155 1HG GLU 24 1HG GLU 24 -1.175 2.070 -6.278 156 2HG GLU 24 2HG GLU 24 -1.307 0.392 -6.798 157 H LYS 25 H LYS 25 1.756 -1.654 -6.917 158 HA LYS 25 HA LYS 25 -0.491 -2.677 -8.356 159 1HB LYS 25 1HB LYS 25 2.489 -2.885 -8.695 160 2HB LYS 25 2HB LYS 25 1.396 -3.818 -9.709 161 1HG LYS 25 1HG LYS 25 0.595 -1.963 -10.795 162 2HG LYS 25 2HG LYS 25 0.976 -0.880 -9.454 163 1HD LYS 25 1HD LYS 25 2.621 -0.291 -10.939 164 2HD LYS 25 2HD LYS 25 3.450 -1.564 -10.039 165 1HE LYS 25 1HE LYS 25 3.893 -2.203 -12.199 166 2HE LYS 25 2HE LYS 25 2.417 -3.113 -11.882 167 1HZ LYS 25 1HZ LYS 25 1.582 -0.672 -12.829 168 2HZ LYS 25 2HZ LYS 25 1.576 -2.139 -13.670 169 3HZ LYS 25 3HZ LYS 25 2.893 -1.086 -13.815 170 H VAL 26 H VAL 26 2.359 -4.432 -7.122 171 HA VAL 26 HA VAL 26 1.448 -6.988 -7.303 172 HB VAL 26 HB VAL 26 3.675 -5.944 -6.269 173 1HG1 VAL 26 1HG1 VAL 26 2.492 -5.237 -4.202 174 2HG1 VAL 26 2HG1 VAL 26 2.206 -6.938 -3.830 175 3HG1 VAL 26 3HG1 VAL 26 3.855 -6.315 -3.902 176 1HG2 VAL 26 1HG2 VAL 26 4.385 -8.073 -6.266 177 2HG2 VAL 26 2HG2 VAL 26 3.148 -8.589 -5.119 178 3HG2 VAL 26 3HG2 VAL 26 2.757 -8.447 -6.834 179 H PHE 27 H PHE 27 0.661 -4.640 -4.799 180 HA PHE 27 HA PHE 27 -0.558 -6.243 -2.918 181 1HB PHE 27 1HB PHE 27 -0.309 -3.964 -2.371 182 2HB PHE 27 2HB PHE 27 -1.144 -3.435 -3.828 183 HD1 PHE 27 1HD PHE 27 -1.464 -4.259 -0.369 184 HD2 PHE 27 2HD PHE 27 -3.630 -3.897 -4.015 185 HE1 PHE 27 1HE PHE 27 -3.567 -4.105 0.900 186 HE2 PHE 27 2HE PHE 27 -5.736 -3.742 -2.752 187 HZ PHE 27 HZ PHE 27 -5.706 -3.845 -0.292 188 H VAL 28 H VAL 28 -1.999 -4.831 -5.838 189 HA VAL 28 HA VAL 28 -4.365 -6.531 -5.433 190 HB VAL 28 HB VAL 28 -4.926 -4.189 -5.649 191 1HG1 VAL 28 1HG1 VAL 28 -2.775 -4.106 -7.423 192 2HG1 VAL 28 2HG1 VAL 28 -4.199 -3.755 -8.404 193 3HG1 VAL 28 3HG1 VAL 28 -3.844 -2.775 -6.980 194 1HG2 VAL 28 1HG2 VAL 28 -6.108 -6.185 -7.008 195 2HG2 VAL 28 2HG2 VAL 28 -6.704 -4.526 -7.005 196 3HG2 VAL 28 3HG2 VAL 28 -5.711 -5.104 -8.343 197 H SER 29 H SER 29 -1.528 -6.809 -6.873 198 HA SER 29 HA SER 29 -2.545 -7.875 -9.411 199 1HB SER 29 1HB SER 29 -0.472 -6.248 -9.116 200 2HB SER 29 2HB SER 29 0.377 -7.760 -8.795 201 HG SER 29 HG SER 29 -0.551 -8.507 -10.828 202 H VAL 30 H VAL 30 -0.430 -8.763 -6.694 203 HA VAL 30 HA VAL 30 -0.786 -11.592 -7.427 204 HB VAL 30 HB VAL 30 1.239 -12.114 -6.339 205 1HG1 VAL 30 1HG1 VAL 30 1.422 -9.567 -7.914 206 2HG1 VAL 30 2HG1 VAL 30 2.863 -10.386 -7.310 207 3HG1 VAL 30 3HG1 VAL 30 1.779 -11.215 -8.429 208 1HG2 VAL 30 1HG2 VAL 30 2.512 -10.479 -4.999 209 2HG2 VAL 30 2HG2 VAL 30 1.188 -9.328 -5.181 210 3HG2 VAL 30 3HG2 VAL 30 0.930 -10.837 -4.305 211 H THR 31 H THR 31 -0.735 -9.369 -4.662 212 HA THR 31 HA THR 31 -2.932 -10.584 -3.386 213 HB THR 31 HB THR 31 -1.320 -12.403 -2.952 214 HG1 THR 31 1HG THR 31 -1.486 -12.063 -0.481 215 1HG2 THR 31 1HG2 THR 31 0.456 -10.266 -2.451 216 2HG2 THR 31 2HG2 THR 31 0.791 -11.995 -2.368 217 3HG2 THR 31 3HG2 THR 31 0.255 -11.130 -0.928 218 H LYS 32 H LYS 32 -3.679 -9.361 -1.687 219 HA LYS 32 HA LYS 32 -2.609 -6.729 -1.434 220 1HB LYS 32 1HB LYS 32 -4.418 -6.435 0.260 221 2HB LYS 32 2HB LYS 32 -4.990 -7.030 -1.293 222 1HG LYS 32 1HG LYS 32 -5.561 -9.070 -0.461 223 2HG LYS 32 2HG LYS 32 -4.323 -9.028 0.797 224 1HD LYS 32 1HD LYS 32 -6.389 -8.818 1.920 225 2HD LYS 32 2HD LYS 32 -5.695 -7.195 1.888 226 1HE LYS 32 1HE LYS 32 -7.210 -6.437 0.317 227 2HE LYS 32 2HE LYS 32 -7.543 -8.057 -0.295 228 1HZ LYS 32 1HZ LYS 32 -9.028 -6.626 1.541 229 2HZ LYS 32 2HZ LYS 32 -8.287 -7.860 2.428 230 3HZ LYS 32 3HZ LYS 32 -9.246 -8.241 1.088 231 H TYR 33 H TYR 33 -2.245 -9.685 0.328 232 HA TYR 33 HA TYR 33 -0.534 -8.276 2.265 233 1HB TYR 33 1HB TYR 33 -2.737 -10.213 2.758 234 2HB TYR 33 2HB TYR 33 -1.300 -10.355 3.764 235 HD1 TYR 33 1HD TYR 33 -1.578 -9.381 5.829 236 HD2 TYR 33 2HD TYR 33 -3.320 -7.496 2.435 237 HE1 TYR 33 1HE TYR 33 -2.403 -7.566 7.268 238 HE2 TYR 33 2HE TYR 33 -4.148 -5.674 3.865 239 HH TYR 33 HH TYR 33 -3.443 -5.604 7.345 240 HA PRO 34 HA PRO 34 1.937 -11.498 0.084 241 1HB PRO 34 1HB PRO 34 4.194 -9.993 -0.025 242 2HB PRO 34 2HB PRO 34 2.908 -9.886 -1.233 243 1HG PRO 34 1HG PRO 34 3.454 -8.110 1.114 244 2HG PRO 34 2HG PRO 34 3.000 -7.667 -0.542 245 1HD PRO 34 1HD PRO 34 1.216 -7.718 1.493 246 2HD PRO 34 2HD PRO 34 0.766 -8.103 -0.180 247 H ASP 35 H ASP 35 4.228 -12.260 0.713 248 HA ASP 35 HA ASP 35 4.564 -12.071 3.634 249 1HB ASP 35 1HB ASP 35 4.685 -14.509 1.861 250 2HB ASP 35 2HB ASP 35 5.387 -14.481 3.476 251 H GLU 36 H GLU 36 6.773 -12.733 4.362 252 HA GLU 36 HA GLU 36 8.758 -11.152 3.534 253 1HB GLU 36 1HB GLU 36 9.028 -12.596 5.455 254 2HB GLU 36 2HB GLU 36 9.060 -14.022 4.427 255 1HG GLU 36 1HG GLU 36 11.116 -12.826 3.344 256 2HG GLU 36 2HG GLU 36 11.160 -11.962 4.880 257 H LYS 37 H LYS 37 8.283 -14.433 2.229 258 HA LYS 37 HA LYS 37 10.247 -14.753 0.459 259 1HB LYS 37 1HB LYS 37 8.607 -15.814 -1.106 260 2HB LYS 37 2HB LYS 37 8.469 -16.357 0.562 261 1HG LYS 37 1HG LYS 37 6.669 -14.437 0.680 262 2HG LYS 37 2HG LYS 37 6.605 -14.712 -1.063 263 1HD LYS 37 1HD LYS 37 6.475 -17.041 0.804 264 2HD LYS 37 2HD LYS 37 5.035 -16.053 0.542 265 1HE LYS 37 1HE LYS 37 4.766 -17.634 -1.097 266 2HE LYS 37 2HE LYS 37 5.649 -16.394 -1.986 267 1HZ LYS 37 1HZ LYS 37 7.651 -17.852 -0.978 268 2HZ LYS 37 2HZ LYS 37 6.982 -18.100 -2.511 269 3HZ LYS 37 3HZ LYS 37 6.481 -19.054 -1.207 270 H ARG 38 H ARG 38 7.444 -12.652 -0.121 271 HA ARG 38 HA ARG 38 8.397 -11.768 -2.672 272 1HB ARG 38 1HB ARG 38 5.961 -11.806 -1.666 273 2HB ARG 38 2HB ARG 38 6.405 -10.208 -1.081 274 1HG ARG 38 1HG ARG 38 6.440 -9.298 -3.167 275 2HG ARG 38 2HG ARG 38 6.888 -10.818 -3.943 276 1HD ARG 38 1HD ARG 38 4.218 -10.619 -2.645 277 2HD ARG 38 2HD ARG 38 4.463 -9.799 -4.187 278 HE ARG 38 HE ARG 38 4.181 -12.602 -3.768 279 1HH1 ARG 38 2HH1 ARG 38 5.750 -10.222 -5.767 280 2HH1 ARG 38 1HH1 ARG 38 5.885 -11.273 -7.138 281 1HH2 ARG 38 2HH2 ARG 38 4.353 -13.994 -5.566 282 2HH2 ARG 38 1HH2 ARG 38 5.089 -13.418 -7.023 283 H LEU 39 H LEU 39 8.244 -10.320 0.569 284 HA LEU 39 HA LEU 39 9.264 -7.818 0.023 285 1HB LEU 39 1HB LEU 39 9.511 -9.611 2.412 286 2HB LEU 39 2HB LEU 39 10.277 -8.024 2.385 287 HG LEU 39 HG LEU 39 8.154 -7.948 3.564 288 1HD1 LEU 39 1HD1 LEU 39 7.490 -6.541 1.045 289 2HD1 LEU 39 2HD1 LEU 39 9.025 -6.142 1.816 290 3HD1 LEU 39 3HD1 LEU 39 7.515 -5.949 2.706 291 1HD2 LEU 39 1HD2 LEU 39 7.149 -9.849 2.230 292 2HD2 LEU 39 2HD2 LEU 39 6.799 -8.661 0.975 293 3HD2 LEU 39 3HD2 LEU 39 6.079 -8.491 2.577 294 H LYS 40 H LYS 40 10.943 -10.876 0.254 295 HA LYS 40 HA LYS 40 13.560 -10.113 0.590 296 1HB LYS 40 1HB LYS 40 12.249 -12.333 -0.916 297 2HB LYS 40 2HB LYS 40 13.978 -12.087 -1.122 298 1HG LYS 40 1HG LYS 40 12.755 -12.319 1.603 299 2HG LYS 40 2HG LYS 40 13.189 -13.747 0.660 300 1HD LYS 40 1HD LYS 40 15.148 -11.526 1.169 301 2HD LYS 40 2HD LYS 40 14.920 -12.848 2.316 302 1HE LYS 40 1HE LYS 40 15.583 -13.253 -0.595 303 2HE LYS 40 2HE LYS 40 16.798 -13.161 0.679 304 1HZ LYS 40 1HZ LYS 40 14.823 -15.003 1.441 305 2HZ LYS 40 2HZ LYS 40 16.460 -15.287 1.123 306 3HZ LYS 40 3HZ LYS 40 15.326 -15.386 -0.129 307 H GLY 41 H GLY 41 11.720 -10.202 -2.451 308 1HA GLY 41 1HA GLY 41 13.872 -9.308 -4.078 309 2HA GLY 41 2HA GLY 41 12.171 -9.304 -4.519 310 H LEU 42 H LEU 42 10.874 -7.549 -3.284 311 HA LEU 42 HA LEU 42 11.508 -5.076 -4.175 312 1HB LEU 42 1HB LEU 42 10.107 -5.765 -1.598 313 2HB LEU 42 2HB LEU 42 10.110 -4.161 -2.329 314 HG LEU 42 HG LEU 42 9.009 -6.597 -3.716 315 1HD1 LEU 42 1HD1 LEU 42 7.941 -5.258 -1.455 316 2HD1 LEU 42 2HD1 LEU 42 7.209 -6.533 -2.429 317 3HD1 LEU 42 3HD1 LEU 42 6.956 -4.841 -2.857 318 1HD2 LEU 42 1HD2 LEU 42 9.700 -4.502 -4.997 319 2HD2 LEU 42 2HD2 LEU 42 8.352 -3.704 -4.186 320 3HD2 LEU 42 3HD2 LEU 42 8.054 -5.090 -5.237 321 H SER 43 H SER 43 12.531 -6.478 -1.090 322 HA SER 43 HA SER 43 13.657 -4.431 0.244 323 1HB SER 43 1HB SER 43 13.771 -6.796 0.970 324 2HB SER 43 2HB SER 43 15.036 -7.087 -0.224 325 HG SER 43 HG SER 43 15.403 -4.989 1.579 326 H LYS 44 H LYS 44 15.109 -6.062 -2.546 327 HA LYS 44 HA LYS 44 17.352 -4.213 -2.554 328 1HB LYS 44 1HB LYS 44 17.560 -6.683 -3.084 329 2HB LYS 44 2HB LYS 44 16.719 -6.347 -4.592 330 1HG LYS 44 1HG LYS 44 18.485 -5.098 -5.444 331 2HG LYS 44 2HG LYS 44 19.199 -4.844 -3.849 332 1HD LYS 44 1HD LYS 44 19.454 -7.435 -3.851 333 2HD LYS 44 2HD LYS 44 19.274 -7.270 -5.599 334 1HE LYS 44 1HE LYS 44 21.289 -5.732 -3.971 335 2HE LYS 44 2HE LYS 44 21.641 -7.269 -4.761 336 1HZ LYS 44 1HZ LYS 44 22.265 -5.918 -6.430 337 2HZ LYS 44 2HZ LYS 44 21.302 -4.626 -5.915 338 3HZ LYS 44 3HZ LYS 44 20.612 -5.898 -6.791 339 H GLN 45 H GLN 45 14.626 -5.075 -4.662 340 HA GLN 45 HA GLN 45 15.040 -3.451 -6.808 341 1HB GLN 45 1HB GLN 45 13.073 -5.018 -6.327 342 2HB GLN 45 2HB GLN 45 12.330 -3.651 -5.509 343 1HG GLN 45 1HG GLN 45 12.066 -2.452 -7.467 344 2HG GLN 45 2HG GLN 45 13.310 -3.370 -8.315 345 1HE2 GLN 45 1HE2 GLN 45 11.470 -3.330 -9.911 346 2HE2 GLN 45 2HE2 GLN 45 10.356 -4.649 -9.846 347 H LEU 46 H LEU 46 13.266 -2.473 -3.871 348 HA LEU 46 HA LEU 46 13.639 0.330 -4.643 349 1HB LEU 46 1HB LEU 46 11.885 -0.906 -2.526 350 2HB LEU 46 2HB LEU 46 11.968 0.814 -2.902 351 HG LEU 46 HG LEU 46 11.201 -1.132 -5.037 352 1HD1 LEU 46 1HD1 LEU 46 9.105 -1.479 -4.284 353 2HD1 LEU 46 2HD1 LEU 46 9.014 0.090 -3.485 354 3HD1 LEU 46 3HD1 LEU 46 9.863 -1.246 -2.709 355 1HD2 LEU 46 1HD2 LEU 46 9.661 1.083 -5.295 356 2HD2 LEU 46 2HD2 LEU 46 11.230 0.864 -6.070 357 3HD2 LEU 46 3HD2 LEU 46 11.111 1.765 -4.558 358 H ASP 47 H ASP 47 15.678 -1.525 -3.403 359 HA ASP 47 HA ASP 47 17.193 -1.570 -1.676 360 1HB ASP 47 1HB ASP 47 16.925 1.279 -2.544 361 2HB ASP 47 2HB ASP 47 17.966 0.902 -1.174 362 H TRP 48 H TRP 48 14.550 -1.764 -0.714 363 HA TRP 48 HA TRP 48 14.633 -0.155 1.748 364 1HB TRP 48 1HB TRP 48 12.417 -1.290 0.115 365 2HB TRP 48 2HB TRP 48 12.180 -1.204 1.858 366 HD1 TRP 48 HD TRP 48 14.208 1.570 0.263 367 HE1 TRP 48 1HE TRP 48 12.834 3.747 0.297 368 HE3 TRP 48 3HE TRP 48 9.706 -0.334 1.760 369 HZ2 TRP 48 2HZ TRP 48 10.192 4.550 0.881 370 HZ3 TRP 48 3HZ TRP 48 7.806 1.206 2.033 371 HH2 TRP 48 HH TRP 48 8.046 3.597 1.603 372 H SER 49 H SER 49 13.293 -1.489 3.547 373 HA SER 49 HA SER 49 14.713 -4.057 3.796 374 1HB SER 49 1HB SER 49 13.771 -2.138 5.938 375 2HB SER 49 2HB SER 49 14.467 -3.725 6.263 376 HG SER 49 HG SER 49 16.336 -2.957 5.049 377 H VAL 50 H VAL 50 13.610 -5.884 4.341 378 HA VAL 50 HA VAL 50 11.083 -6.379 3.561 379 HB VAL 50 HB VAL 50 12.573 -8.151 4.326 380 1HG1 VAL 50 1HG1 VAL 50 13.503 -7.033 6.285 381 2HG1 VAL 50 2HG1 VAL 50 11.948 -7.166 7.109 382 3HG1 VAL 50 3HG1 VAL 50 12.862 -8.620 6.709 383 1HG2 VAL 50 1HG2 VAL 50 9.786 -7.931 5.278 384 2HG2 VAL 50 2HG2 VAL 50 10.530 -9.122 4.212 385 3HG2 VAL 50 3HG2 VAL 50 10.744 -9.247 5.958 386 H ARG 51 H ARG 51 12.006 -5.187 6.768 387 HA ARG 51 HA ARG 51 9.350 -5.167 7.797 388 1HB ARG 51 1HB ARG 51 11.708 -5.082 9.003 389 2HB ARG 51 2HB ARG 51 11.449 -3.347 8.887 390 1HG ARG 51 1HG ARG 51 9.144 -3.866 9.944 391 2HG ARG 51 2HG ARG 51 9.899 -5.390 10.417 392 1HD ARG 51 1HD ARG 51 10.415 -4.135 12.249 393 2HD ARG 51 2HD ARG 51 11.815 -3.766 11.244 394 HE ARG 51 HE ARG 51 9.747 -1.906 10.752 395 1HH1 ARG 51 2HH1 ARG 51 12.119 -2.778 13.146 396 2HH1 ARG 51 1HH1 ARG 51 12.255 -1.174 13.785 397 1HH2 ARG 51 2HH2 ARG 51 9.917 0.211 11.585 398 2HH2 ARG 51 1HH2 ARG 51 11.001 0.526 12.897 399 H LYS 52 H LYS 52 11.524 -2.511 6.819 400 HA LYS 52 HA LYS 52 9.845 -0.376 7.085 401 1HB LYS 52 1HB LYS 52 12.270 -0.411 6.289 402 2HB LYS 52 2HB LYS 52 11.631 -0.702 4.677 403 1HG LYS 52 1HG LYS 52 10.350 1.401 4.842 404 2HG LYS 52 2HG LYS 52 11.099 1.701 6.412 405 1HD LYS 52 1HD LYS 52 13.244 1.933 5.455 406 2HD LYS 52 2HD LYS 52 12.718 1.241 3.919 407 1HE LYS 52 1HE LYS 52 12.734 3.470 3.388 408 2HE LYS 52 2HE LYS 52 11.068 3.284 3.934 409 1HZ LYS 52 1HZ LYS 52 11.570 4.264 5.990 410 2HZ LYS 52 2HZ LYS 52 12.336 5.244 4.844 411 3HZ LYS 52 3HZ LYS 52 13.240 4.141 5.753 412 H ILE 53 H ILE 53 10.065 -2.534 4.271 413 HA ILE 53 HA ILE 53 8.166 -1.254 2.668 414 HB ILE 53 HB ILE 53 8.802 -4.205 2.775 415 1HG1 ILE 53 1HG1 ILE 53 9.912 -2.142 0.874 416 2HG1 ILE 53 2HG1 ILE 53 10.720 -2.572 2.377 417 1HG2 ILE 53 1HG2 ILE 53 6.729 -3.813 1.604 418 2HG2 ILE 53 2HG2 ILE 53 7.477 -2.540 0.641 419 3HG2 ILE 53 3HG2 ILE 53 7.993 -4.214 0.441 420 1HD1 ILE 53 1HD1 ILE 53 10.622 -4.977 1.513 421 2HD1 ILE 53 2HD1 ILE 53 10.258 -4.251 -0.053 422 3HD1 ILE 53 3HD1 ILE 53 11.773 -3.869 0.766 423 H GLN 54 H GLN 54 7.713 -4.135 4.728 424 HA GLN 54 HA GLN 54 5.121 -4.705 4.480 425 1HB GLN 54 1HB GLN 54 6.839 -4.548 6.919 426 2HB GLN 54 2HB GLN 54 5.127 -4.905 7.110 427 1HG GLN 54 1HG GLN 54 5.663 -6.684 5.229 428 2HG GLN 54 2HG GLN 54 7.286 -6.535 5.900 429 1HE2 GLN 54 1HE2 GLN 54 5.714 -8.870 5.973 430 2HE2 GLN 54 2HE2 GLN 54 5.371 -9.233 7.626 431 H CYS 55 H CYS 55 6.256 -2.121 6.662 432 HA CYS 55 HA CYS 55 3.862 -1.158 7.562 433 1HB CYS 55 1HB CYS 55 6.271 -0.360 8.063 434 2HB CYS 55 2HB CYS 55 6.036 0.738 6.708 435 HG CYS 55 HG CYS 55 4.307 0.695 9.655 436 H TRP 56 H TRP 56 5.479 -0.301 4.521 437 HA TRP 56 HA TRP 56 3.706 1.634 3.619 438 1HB TRP 56 1HB TRP 56 5.879 1.073 2.547 439 2HB TRP 56 2HB TRP 56 5.157 -0.406 1.918 440 HD1 TRP 56 HD TRP 56 5.568 3.228 1.146 441 HE1 TRP 56 1HE TRP 56 4.301 3.813 -1.016 442 HE3 TRP 56 3HE TRP 56 2.873 -1.081 0.593 443 HZ2 TRP 56 2HZ TRP 56 2.408 2.608 -2.729 444 HZ3 TRP 56 3HZ TRP 56 1.357 -1.284 -1.334 445 HH2 TRP 56 HH TRP 56 1.130 0.523 -2.959 446 H PHE 57 H PHE 57 3.603 -1.883 3.120 447 HA PHE 57 HA PHE 57 1.337 -1.985 1.501 448 1HB PHE 57 1HB PHE 57 2.705 -3.906 3.325 449 2HB PHE 57 2HB PHE 57 1.089 -4.317 2.760 450 HD1 PHE 57 1HD PHE 57 4.584 -4.030 1.894 451 HD2 PHE 57 2HD PHE 57 0.660 -4.574 0.335 452 HE1 PHE 57 1HE PHE 57 5.540 -4.857 -0.217 453 HE2 PHE 57 2HE PHE 57 1.611 -5.402 -1.777 454 HZ PHE 57 HZ PHE 57 4.053 -5.545 -2.056 455 H ARG 58 H ARG 58 1.541 -2.382 5.038 456 HA ARG 58 HA ARG 58 -1.156 -2.669 5.579 457 1HB ARG 58 1HB ARG 58 0.361 -3.048 7.351 458 2HB ARG 58 2HB ARG 58 1.086 -1.455 7.180 459 1HG ARG 58 1HG ARG 58 -0.586 -0.414 8.333 460 2HG ARG 58 2HG ARG 58 -1.794 -1.621 7.888 461 1HD ARG 58 1HD ARG 58 -1.188 -3.050 9.570 462 2HD ARG 58 2HD ARG 58 0.477 -2.472 9.607 463 HE ARG 58 HE ARG 58 -0.958 -0.349 10.500 464 1HH1 ARG 58 2HH1 ARG 58 -0.765 -3.699 11.426 465 2HH1 ARG 58 1HH1 ARG 58 -1.133 -3.396 13.091 466 1HH2 ARG 58 2HH2 ARG 58 -1.444 0.064 12.690 467 2HH2 ARG 58 1HH2 ARG 58 -1.520 -1.255 13.809 468 H HIS 59 H HIS 59 0.729 0.296 5.180 469 HA HIS 59 HA HIS 59 -1.365 2.080 5.864 470 1HB HIS 59 1HB HIS 59 1.231 2.460 5.616 471 2HB HIS 59 2HB HIS 59 0.801 2.872 3.958 472 HD1 HIS 59 1HD HIS 59 1.963 4.963 5.936 473 HD2 HIS 59 2HD HIS 59 -2.086 4.396 5.197 474 HE1 HIS 59 1HE HIS 59 0.856 7.134 6.555 475 HE2 HIS 59 2HE HIS 59 -1.603 6.739 6.181 476 H ARG 60 H ARG 60 -0.274 0.678 2.818 477 HA ARG 60 HA ARG 60 -1.565 2.142 0.935 478 1HB ARG 60 1HB ARG 60 -0.197 0.123 0.481 479 2HB ARG 60 2HB ARG 60 -1.535 -0.880 1.024 480 1HG ARG 60 1HG ARG 60 -1.424 -0.765 -1.407 481 2HG ARG 60 2HG ARG 60 -2.918 -0.054 -0.794 482 1HD ARG 60 1HD ARG 60 -0.582 1.735 -1.217 483 2HD ARG 60 2HD ARG 60 -1.447 1.149 -2.638 484 HE ARG 60 HE ARG 60 -3.291 2.152 -0.763 485 1HH1 ARG 60 2HH1 ARG 60 -0.828 3.232 -2.974 486 2HH1 ARG 60 1HH1 ARG 60 -1.555 4.783 -3.232 487 1HH2 ARG 60 2HH2 ARG 60 -4.259 4.191 -1.095 488 2HH2 ARG 60 1HH2 ARG 60 -3.507 5.328 -2.162 489 H ARG 61 H ARG 61 -3.066 -0.702 2.488 490 HA ARG 61 HA ARG 61 -5.598 -0.501 1.501 491 1HB ARG 61 1HB ARG 61 -4.618 -1.353 4.215 492 2HB ARG 61 2HB ARG 61 -6.325 -1.416 3.801 493 1HG ARG 61 1HG ARG 61 -5.384 -2.728 1.700 494 2HG ARG 61 2HG ARG 61 -4.071 -3.072 2.827 495 1HD ARG 61 1HD ARG 61 -7.003 -3.639 3.247 496 2HD ARG 61 2HD ARG 61 -5.737 -4.825 2.935 497 HE ARG 61 HE ARG 61 -4.922 -3.506 5.189 498 1HH1 ARG 61 2HH1 ARG 61 -7.759 -5.290 4.245 499 2HH1 ARG 61 1HH1 ARG 61 -8.104 -5.843 5.850 500 1HH2 ARG 61 2HH2 ARG 61 -5.367 -4.228 7.306 501 2HH2 ARG 61 1HH2 ARG 61 -6.744 -5.238 7.591 502 H ASN 62 H ASN 62 -4.446 1.071 4.488 503 HA ASN 62 HA ASN 62 -6.696 2.397 5.272 504 1HB ASN 62 1HB ASN 62 -3.902 3.559 5.276 505 2HB ASN 62 2HB ASN 62 -5.239 4.069 6.302 506 1HD2 ASN 62 1HD2 ASN 62 -2.634 3.075 7.068 507 2HD2 ASN 62 2HD2 ASN 62 -2.910 1.666 8.029 508 H GLN 63 H GLN 63 -4.278 3.643 2.970 509 HA GLN 63 HA GLN 63 -5.588 6.035 2.360 510 1HB GLN 63 1HB GLN 63 -3.576 4.344 0.921 511 2HB GLN 63 2HB GLN 63 -4.287 5.733 0.111 512 1HG GLN 63 1HG GLN 63 -3.578 6.937 2.360 513 2HG GLN 63 2HG GLN 63 -2.404 5.622 2.394 514 1HE2 GLN 63 1HE2 GLN 63 -2.140 8.559 1.972 515 2HE2 GLN 63 2HE2 GLN 63 -1.257 8.719 0.496 516 H ASP 64 H ASP 64 -5.758 2.864 0.774 517 HA ASP 64 HA ASP 64 -7.449 3.559 -1.331 518 1HB ASP 64 1HB ASP 64 -6.195 1.320 -0.771 519 2HB ASP 64 2HB ASP 64 -7.715 0.893 0.009 520 H LYS 65 H LYS 65 -8.370 2.029 1.760 521 HA LYS 65 HA LYS 65 -11.094 2.045 1.492 522 1HB LYS 65 1HB LYS 65 -9.266 2.280 3.836 523 2HB LYS 65 2HB LYS 65 -10.983 2.561 4.095 524 1HG LYS 65 1HG LYS 65 -9.918 0.086 2.766 525 2HG LYS 65 2HG LYS 65 -10.163 0.217 4.509 526 1HD LYS 65 1HD LYS 65 -12.531 0.700 4.143 527 2HD LYS 65 2HD LYS 65 -12.289 0.590 2.398 528 1HE LYS 65 1HE LYS 65 -13.123 -1.506 2.938 529 2HE LYS 65 2HE LYS 65 -11.381 -1.774 2.909 530 1HZ LYS 65 1HZ LYS 65 -11.380 -1.486 5.340 531 2HZ LYS 65 2HZ LYS 65 -12.311 -2.807 4.842 532 3HZ LYS 65 3HZ LYS 65 -13.068 -1.371 5.318 533 HA PRO 66 HA PRO 66 -12.564 6.179 1.519 534 1HB PRO 66 1HB PRO 66 -14.824 5.973 3.010 535 2HB PRO 66 2HB PRO 66 -14.689 5.319 1.373 536 1HG PRO 66 1HG PRO 66 -14.441 3.909 4.002 537 2HG PRO 66 2HG PRO 66 -15.286 3.393 2.531 538 1HD PRO 66 1HD PRO 66 -12.838 2.456 3.210 539 2HD PRO 66 2HD PRO 66 -13.346 2.664 1.522 540 H SER 67 H SER 67 -11.552 4.677 4.389 541 HA SER 67 HA SER 67 -11.967 7.066 6.022 542 1HB SER 67 1HB SER 67 -11.471 5.734 7.911 543 2HB SER 67 2HB SER 67 -12.413 4.679 6.857 544 HG SER 67 HG SER 67 -10.590 3.584 7.608 545 H GLY 68 H GLY 68 -10.425 8.534 6.318 546 1HA GLY 68 1HA GLY 68 -7.776 8.184 6.862 547 2HA GLY 68 2HA GLY 68 -7.840 8.181 5.106 548 HA PRO 69 HA PRO 69 -9.345 12.555 6.557 549 1HB PRO 69 1HB PRO 69 -8.905 13.158 9.167 550 2HB PRO 69 2HB PRO 69 -10.406 12.424 8.591 551 1HG PRO 69 1HG PRO 69 -8.040 11.128 9.889 552 2HG PRO 69 2HG PRO 69 -9.767 10.849 10.178 553 1HD PRO 69 1HD PRO 69 -8.261 9.200 8.647 554 2HD PRO 69 2HD PRO 69 -9.985 9.487 8.332 555 H SER 70 H SER 70 -6.467 10.957 7.552 556 HA SER 70 HA SER 70 -4.743 12.933 8.307 557 1HB SER 70 1HB SER 70 -4.336 10.484 6.613 558 2HB SER 70 2HB SER 70 -2.991 11.575 6.946 559 HG SER 70 HG SER 70 -4.193 9.750 8.572 560 H SER 71 H SER 71 -4.664 14.914 7.450 561 HA SER 71 HA SER 71 -4.482 15.161 4.521 562 1HB SER 71 1HB SER 71 -6.411 16.338 5.333 563 2HB SER 71 2HB SER 71 -5.471 17.113 6.609 564 HG SER 71 HG SER 71 -5.972 18.221 4.420 565 H GLY 72 H GLY 72 -2.215 14.736 4.540 566 1HA GLY 72 1HA GLY 72 0.028 15.229 4.901 567 2HA GLY 72 2HA GLY 72 -0.502 16.772 4.248 Start of MODEL 2 1 1H GLY 1 H GLY 1 -8.346 5.699 21.808 2 1HA GLY 1 1HA GLY 1 -5.462 5.166 21.444 3 2HA GLY 1 2HA GLY 1 -6.193 6.757 21.287 4 H SER 2 H SER 2 -4.033 5.636 23.063 5 HA SER 2 HA SER 2 -5.135 5.776 25.723 6 1HB SER 2 1HB SER 2 -3.225 4.314 25.274 7 2HB SER 2 2HB SER 2 -2.259 5.702 24.776 8 HG SER 2 HG SER 2 -2.338 4.756 27.143 9 H SER 3 H SER 3 -2.860 7.768 23.836 10 HA SER 3 HA SER 3 -3.174 9.944 25.755 11 1HB SER 3 1HB SER 3 -1.239 9.312 23.569 12 2HB SER 3 2HB SER 3 -1.468 11.002 24.018 13 HG SER 3 HG SER 3 0.210 9.913 25.207 14 H GLY 4 H GLY 4 -3.617 12.133 25.002 15 1HA GLY 4 1HA GLY 4 -4.430 13.015 22.574 16 2HA GLY 4 2HA GLY 4 -5.840 12.145 23.159 17 H SER 5 H SER 5 -5.199 15.071 22.644 18 HA SER 5 HA SER 5 -6.200 16.051 25.233 19 1HB SER 5 1HB SER 5 -3.736 16.617 24.684 20 2HB SER 5 2HB SER 5 -4.408 17.726 23.487 21 HG SER 5 HG SER 5 -4.611 17.791 26.291 22 H SER 6 H SER 6 -5.742 17.036 21.835 23 HA SER 6 HA SER 6 -7.901 18.874 21.848 24 1HB SER 6 1HB SER 6 -6.238 17.604 19.692 25 2HB SER 6 2HB SER 6 -7.649 18.575 19.271 26 HG SER 6 HG SER 6 -6.478 20.084 20.927 27 H GLY 7 H GLY 7 -9.964 18.328 22.083 28 1HA GLY 7 1HA GLY 7 -11.030 15.764 21.792 29 2HA GLY 7 2HA GLY 7 -11.971 17.248 21.813 30 H GLY 8 H GLY 8 -11.414 14.565 20.059 31 1HA GLY 8 1HA GLY 8 -11.932 13.954 17.908 32 2HA GLY 8 2HA GLY 8 -12.799 15.478 17.787 33 H ILE 9 H ILE 9 -9.974 13.737 16.934 34 HA ILE 9 HA ILE 9 -9.021 16.075 15.418 35 HB ILE 9 HB ILE 9 -6.695 15.073 15.676 36 1HG1 ILE 9 1HG1 ILE 9 -7.792 13.801 18.167 37 2HG1 ILE 9 2HG1 ILE 9 -7.758 12.907 16.651 38 1HG2 ILE 9 1HG2 ILE 9 -6.703 16.969 16.871 39 2HG2 ILE 9 2HG2 ILE 9 -8.271 16.618 17.598 40 3HG2 ILE 9 3HG2 ILE 9 -6.807 15.900 18.270 41 1HD1 ILE 9 1HD1 ILE 9 -5.353 13.173 16.526 42 2HD1 ILE 9 2HD1 ILE 9 -5.367 14.127 18.009 43 3HD1 ILE 9 3HD1 ILE 9 -5.820 12.423 18.052 44 H LYS 10 H LYS 10 -8.051 15.639 13.402 45 HA LYS 10 HA LYS 10 -8.147 12.899 12.405 46 1HB LYS 10 1HB LYS 10 -9.618 15.175 11.063 47 2HB LYS 10 2HB LYS 10 -9.435 13.551 10.414 48 1HG LYS 10 1HG LYS 10 -10.682 12.672 12.354 49 2HG LYS 10 2HG LYS 10 -10.926 14.329 12.912 50 1HD LYS 10 1HD LYS 10 -11.734 13.546 10.140 51 2HD LYS 10 2HD LYS 10 -12.776 13.150 11.508 52 1HE LYS 10 1HE LYS 10 -11.737 15.928 11.277 53 2HE LYS 10 2HE LYS 10 -13.023 15.424 10.182 54 1HZ LYS 10 1HZ LYS 10 -13.644 16.469 12.429 55 2HZ LYS 10 2HZ LYS 10 -13.267 14.955 13.081 56 3HZ LYS 10 3HZ LYS 10 -14.488 15.094 11.919 57 H ASP 11 H ASP 11 -6.428 12.472 11.184 58 HA ASP 11 HA ASP 11 -5.136 14.652 9.710 59 1HB ASP 11 1HB ASP 11 -3.566 12.670 11.363 60 2HB ASP 11 2HB ASP 11 -2.946 14.075 10.500 61 H SER 12 H SER 12 -4.096 14.040 7.827 62 HA SER 12 HA SER 12 -3.846 11.240 7.139 63 1HB SER 12 1HB SER 12 -5.925 13.028 5.922 64 2HB SER 12 2HB SER 12 -5.179 11.763 4.945 65 HG SER 12 HG SER 12 -7.012 11.565 6.971 66 HA PRO 13 HA PRO 13 -0.464 12.772 4.792 67 1HB PRO 13 1HB PRO 13 -0.226 10.804 2.938 68 2HB PRO 13 2HB PRO 13 0.237 10.590 4.631 69 1HG PRO 13 1HG PRO 13 -2.273 9.749 3.233 70 2HG PRO 13 2HG PRO 13 -1.291 8.852 4.407 71 1HD PRO 13 1HD PRO 13 -3.580 10.126 5.093 72 2HD PRO 13 2HD PRO 13 -2.209 9.958 6.209 73 H VAL 14 H VAL 14 -0.652 14.500 3.514 74 HA VAL 14 HA VAL 14 -2.697 14.784 1.547 75 HB VAL 14 HB VAL 14 -0.220 16.451 2.013 76 1HG1 VAL 14 1HG1 VAL 14 -2.515 16.713 0.136 77 2HG1 VAL 14 2HG1 VAL 14 -1.843 18.176 0.859 78 3HG1 VAL 14 3HG1 VAL 14 -0.813 17.110 -0.098 79 1HG2 VAL 14 1HG2 VAL 14 -2.938 16.417 3.205 80 2HG2 VAL 14 2HG2 VAL 14 -1.383 16.802 3.943 81 3HG2 VAL 14 3HG2 VAL 14 -2.188 17.987 2.913 82 H ASN 15 H ASN 15 0.856 14.586 1.270 83 HA ASN 15 HA ASN 15 0.631 14.063 -1.578 84 1HB ASN 15 1HB ASN 15 2.994 14.428 0.267 85 2HB ASN 15 2HB ASN 15 3.165 14.007 -1.435 86 1HD2 ASN 15 1HD2 ASN 15 3.026 15.564 -2.937 87 2HD2 ASN 15 2HD2 ASN 15 2.698 17.226 -2.599 88 H LYS 16 H LYS 16 1.790 12.240 -2.559 89 HA LYS 16 HA LYS 16 0.915 9.790 -1.900 90 1HB LYS 16 1HB LYS 16 3.383 10.719 -3.275 91 2HB LYS 16 2HB LYS 16 3.294 9.016 -2.844 92 1HG LYS 16 1HG LYS 16 1.293 8.735 -4.137 93 2HG LYS 16 2HG LYS 16 1.207 10.469 -4.456 94 1HD LYS 16 1HD LYS 16 3.580 8.816 -5.276 95 2HD LYS 16 2HD LYS 16 2.153 8.974 -6.303 96 1HE LYS 16 1HE LYS 16 3.469 11.421 -5.205 97 2HE LYS 16 2HE LYS 16 4.177 10.600 -6.596 98 1HZ LYS 16 1HZ LYS 16 2.505 12.461 -7.022 99 2HZ LYS 16 2HZ LYS 16 1.321 11.346 -6.560 100 3HZ LYS 16 3HZ LYS 16 2.313 11.022 -7.891 101 H VAL 17 H VAL 17 1.465 8.083 -0.591 102 HA VAL 17 HA VAL 17 2.582 8.619 1.911 103 HB VAL 17 HB VAL 17 2.600 6.178 2.261 104 1HG1 VAL 17 1HG1 VAL 17 0.282 5.909 2.266 105 2HG1 VAL 17 2HG1 VAL 17 0.502 7.659 2.321 106 3HG1 VAL 17 3HG1 VAL 17 0.073 6.870 0.803 107 1HG2 VAL 17 1HG2 VAL 17 1.693 4.753 0.392 108 2HG2 VAL 17 2HG2 VAL 17 1.992 6.114 -0.688 109 3HG2 VAL 17 3HG2 VAL 17 3.336 5.350 0.160 110 H GLU 18 H GLU 18 3.982 6.833 -0.836 111 HA GLU 18 HA GLU 18 6.610 7.796 -0.258 112 1HB GLU 18 1HB GLU 18 5.790 5.083 0.645 113 2HB GLU 18 2HB GLU 18 7.377 5.241 -0.096 114 1HG GLU 18 1HG GLU 18 6.345 6.514 2.409 115 2HG GLU 18 2HG GLU 18 7.756 5.480 2.192 116 HA PRO 19 HA PRO 19 7.267 6.856 -4.491 117 1HB PRO 19 1HB PRO 19 9.893 6.173 -4.552 118 2HB PRO 19 2HB PRO 19 9.337 7.831 -4.295 119 1HG PRO 19 1HG PRO 19 10.246 5.805 -2.287 120 2HG PRO 19 2HG PRO 19 10.627 7.535 -2.382 121 1HD PRO 19 1HD PRO 19 8.762 6.544 -0.688 122 2HD PRO 19 2HD PRO 19 8.627 8.156 -1.420 123 H ASN 20 H ASN 20 7.130 4.471 -2.236 124 HA ASN 20 HA ASN 20 8.089 2.280 -3.862 125 1HB ASN 20 1HB ASN 20 6.942 2.568 -1.121 126 2HB ASN 20 2HB ASN 20 6.837 0.993 -1.903 127 1HD2 ASN 20 1HD2 ASN 20 9.382 3.422 -2.151 128 2HD2 ASN 20 2HD2 ASN 20 10.635 2.434 -1.490 129 H ASP 21 H ASP 21 5.845 4.035 -4.770 130 HA ASP 21 HA ASP 21 3.346 2.951 -4.639 131 1HB ASP 21 1HB ASP 21 2.895 3.923 -6.807 132 2HB ASP 21 2HB ASP 21 3.967 4.998 -5.914 133 H THR 22 H THR 22 6.084 1.768 -6.497 134 HA THR 22 HA THR 22 5.043 0.012 -8.259 135 HB THR 22 HB THR 22 7.393 -0.380 -6.414 136 HG1 THR 22 1HG THR 22 8.323 -0.192 -8.722 137 1HG2 THR 22 1HG2 THR 22 8.076 -2.278 -7.750 138 2HG2 THR 22 2HG2 THR 22 6.641 -2.122 -8.763 139 3HG2 THR 22 3HG2 THR 22 6.480 -2.589 -7.071 140 H LEU 23 H LEU 23 5.064 -0.352 -4.770 141 HA LEU 23 HA LEU 23 4.270 -3.065 -4.681 142 1HB LEU 23 1HB LEU 23 4.093 -0.793 -2.729 143 2HB LEU 23 2HB LEU 23 3.436 -2.385 -2.354 144 HG LEU 23 HG LEU 23 5.560 -3.372 -2.296 145 1HD1 LEU 23 1HD1 LEU 23 6.757 -0.866 -3.460 146 2HD1 LEU 23 2HD1 LEU 23 6.357 -2.303 -4.401 147 3HD1 LEU 23 3HD1 LEU 23 7.574 -2.393 -3.128 148 1HD2 LEU 23 1HD2 LEU 23 5.151 -0.881 -0.866 149 2HD2 LEU 23 2HD2 LEU 23 6.861 -1.262 -1.070 150 3HD2 LEU 23 3HD2 LEU 23 5.785 -2.424 -0.292 151 H GLU 24 H GLU 24 2.454 -0.028 -4.672 152 HA GLU 24 HA GLU 24 -0.075 -0.795 -4.093 153 1HB GLU 24 1HB GLU 24 0.713 1.495 -4.831 154 2HB GLU 24 2HB GLU 24 0.551 0.931 -6.488 155 1HG GLU 24 1HG GLU 24 -1.870 0.343 -5.795 156 2HG GLU 24 2HG GLU 24 -1.573 1.448 -4.454 157 H LYS 25 H LYS 25 1.711 -1.560 -7.003 158 HA LYS 25 HA LYS 25 -0.540 -2.632 -8.419 159 1HB LYS 25 1HB LYS 25 1.621 -1.702 -9.428 160 2HB LYS 25 2HB LYS 25 2.357 -3.238 -8.987 161 1HG LYS 25 1HG LYS 25 0.701 -4.411 -10.369 162 2HG LYS 25 2HG LYS 25 0.012 -2.855 -10.838 163 1HD LYS 25 1HD LYS 25 1.440 -3.387 -12.606 164 2HD LYS 25 2HD LYS 25 2.390 -2.270 -11.623 165 1HE LYS 25 1HE LYS 25 3.446 -4.246 -10.529 166 2HE LYS 25 2HE LYS 25 2.594 -5.278 -11.678 167 1HZ LYS 25 1HZ LYS 25 3.720 -3.849 -13.443 168 2HZ LYS 25 2HZ LYS 25 4.681 -4.968 -12.617 169 3HZ LYS 25 3HZ LYS 25 4.749 -3.329 -12.205 170 H VAL 26 H VAL 26 2.438 -4.270 -7.337 171 HA VAL 26 HA VAL 26 1.633 -6.864 -7.553 172 HB VAL 26 HB VAL 26 3.865 -5.748 -6.609 173 1HG1 VAL 26 1HG1 VAL 26 2.793 -5.132 -4.467 174 2HG1 VAL 26 2HG1 VAL 26 2.550 -6.847 -4.127 175 3HG1 VAL 26 3HG1 VAL 26 4.184 -6.196 -4.260 176 1HG2 VAL 26 1HG2 VAL 26 2.971 -8.539 -5.893 177 2HG2 VAL 26 2HG2 VAL 26 3.598 -8.041 -7.464 178 3HG2 VAL 26 3HG2 VAL 26 4.637 -7.979 -6.041 179 H PHE 27 H PHE 27 0.862 -4.611 -4.962 180 HA PHE 27 HA PHE 27 -0.201 -6.356 -3.086 181 1HB PHE 27 1HB PHE 27 0.055 -4.121 -2.400 182 2HB PHE 27 2HB PHE 27 -0.836 -3.500 -3.786 183 HD1 PHE 27 1HD PHE 27 -1.013 -4.477 -0.370 184 HD2 PHE 27 2HD PHE 27 -3.334 -4.021 -3.909 185 HE1 PHE 27 1HE PHE 27 -3.064 -4.408 0.988 186 HE2 PHE 27 2HE PHE 27 -5.388 -3.950 -2.557 187 HZ PHE 27 HZ PHE 27 -5.255 -4.143 -0.105 188 H VAL 28 H VAL 28 -1.801 -4.797 -5.842 189 HA VAL 28 HA VAL 28 -4.144 -6.518 -5.399 190 HB VAL 28 HB VAL 28 -4.619 -4.110 -5.499 191 1HG1 VAL 28 1HG1 VAL 28 -3.938 -4.062 -8.403 192 2HG1 VAL 28 2HG1 VAL 28 -4.065 -2.729 -7.253 193 3HG1 VAL 28 3HG1 VAL 28 -2.664 -3.801 -7.212 194 1HG2 VAL 28 1HG2 VAL 28 -5.968 -6.128 -6.758 195 2HG2 VAL 28 2HG2 VAL 28 -6.584 -4.495 -6.507 196 3HG2 VAL 28 3HG2 VAL 28 -5.821 -4.924 -8.038 197 H SER 29 H SER 29 -1.377 -6.703 -7.006 198 HA SER 29 HA SER 29 -2.535 -7.701 -9.513 199 1HB SER 29 1HB SER 29 -0.544 -6.012 -9.384 200 2HB SER 29 2HB SER 29 0.416 -7.447 -9.027 201 HG SER 29 HG SER 29 -0.898 -8.222 -11.037 202 H VAL 30 H VAL 30 -0.229 -8.615 -6.968 203 HA VAL 30 HA VAL 30 -0.479 -11.419 -7.814 204 HB VAL 30 HB VAL 30 1.598 -11.871 -6.927 205 1HG1 VAL 30 1HG1 VAL 30 3.122 -9.995 -7.525 206 2HG1 VAL 30 2HG1 VAL 30 1.931 -10.372 -8.771 207 3HG1 VAL 30 3HG1 VAL 30 1.704 -8.967 -7.729 208 1HG2 VAL 30 1HG2 VAL 30 1.331 -9.429 -5.175 209 2HG2 VAL 30 2HG2 VAL 30 1.127 -11.105 -4.664 210 3HG2 VAL 30 3HG2 VAL 30 2.708 -10.531 -5.196 211 H THR 31 H THR 31 -0.556 -9.344 -4.936 212 HA THR 31 HA THR 31 -2.689 -10.740 -3.739 213 HB THR 31 HB THR 31 -0.989 -12.492 -3.387 214 HG1 THR 31 1HG THR 31 -1.176 -12.317 -0.917 215 1HG2 THR 31 1HG2 THR 31 0.678 -10.295 -2.780 216 2HG2 THR 31 2HG2 THR 31 1.100 -12.007 -2.785 217 3HG2 THR 31 3HG2 THR 31 0.524 -11.245 -1.303 218 H LYS 32 H LYS 32 -3.498 -9.662 -1.966 219 HA LYS 32 HA LYS 32 -2.498 -7.003 -1.547 220 1HB LYS 32 1HB LYS 32 -4.767 -8.503 -0.224 221 2HB LYS 32 2HB LYS 32 -4.426 -6.793 0.006 222 1HG LYS 32 1HG LYS 32 -4.749 -6.478 -2.450 223 2HG LYS 32 2HG LYS 32 -5.286 -8.158 -2.534 224 1HD LYS 32 1HD LYS 32 -7.163 -7.720 -1.153 225 2HD LYS 32 2HD LYS 32 -6.544 -6.130 -0.697 226 1HE LYS 32 1HE LYS 32 -6.701 -5.565 -3.189 227 2HE LYS 32 2HE LYS 32 -7.690 -7.018 -3.328 228 1HZ LYS 32 1HZ LYS 32 -9.108 -6.025 -1.527 229 2HZ LYS 32 2HZ LYS 32 -9.167 -5.231 -3.019 230 3HZ LYS 32 3HZ LYS 32 -8.260 -4.578 -1.749 231 H TYR 33 H TYR 33 -2.506 -10.027 0.235 232 HA TYR 33 HA TYR 33 -0.994 -8.719 2.398 233 1HB TYR 33 1HB TYR 33 -2.451 -11.366 2.505 234 2HB TYR 33 2HB TYR 33 -1.700 -10.522 3.854 235 HD1 TYR 33 1HD TYR 33 -2.905 -8.929 5.093 236 HD2 TYR 33 2HD TYR 33 -4.444 -10.281 1.364 237 HE1 TYR 33 1HE TYR 33 -5.026 -7.773 5.556 238 HE2 TYR 33 2HE TYR 33 -6.568 -9.128 1.816 239 HH TYR 33 HH TYR 33 -7.006 -6.794 3.815 240 HA PRO 34 HA PRO 34 2.128 -11.253 0.150 241 1HB PRO 34 1HB PRO 34 4.152 -9.488 0.545 242 2HB PRO 34 2HB PRO 34 3.008 -9.353 -0.796 243 1HG PRO 34 1HG PRO 34 3.037 -7.904 1.824 244 2HG PRO 34 2HG PRO 34 2.715 -7.271 0.199 245 1HD PRO 34 1HD PRO 34 0.737 -7.847 1.956 246 2HD PRO 34 2HD PRO 34 0.536 -8.022 0.201 247 H ASP 35 H ASP 35 4.319 -11.965 0.950 248 HA ASP 35 HA ASP 35 4.417 -12.029 3.892 249 1HB ASP 35 1HB ASP 35 4.701 -14.319 1.951 250 2HB ASP 35 2HB ASP 35 5.320 -14.406 3.598 251 H GLU 36 H GLU 36 6.529 -12.421 4.801 252 HA GLU 36 HA GLU 36 8.530 -10.816 4.063 253 1HB GLU 36 1HB GLU 36 8.585 -12.189 6.097 254 2HB GLU 36 2HB GLU 36 8.929 -13.616 5.130 255 1HG GLU 36 1HG GLU 36 11.005 -12.375 4.337 256 2HG GLU 36 2HG GLU 36 10.693 -11.253 5.659 257 H LYS 37 H LYS 37 8.020 -14.062 2.753 258 HA LYS 37 HA LYS 37 10.275 -14.433 1.253 259 1HB LYS 37 1HB LYS 37 7.408 -15.108 0.603 260 2HB LYS 37 2HB LYS 37 8.759 -15.649 -0.384 261 1HG LYS 37 1HG LYS 37 9.637 -16.963 1.382 262 2HG LYS 37 2HG LYS 37 8.536 -16.238 2.555 263 1HD LYS 37 1HD LYS 37 7.459 -17.703 0.177 264 2HD LYS 37 2HD LYS 37 8.013 -18.595 1.595 265 1HE LYS 37 1HE LYS 37 6.498 -16.877 2.874 266 2HE LYS 37 2HE LYS 37 5.712 -16.719 1.304 267 1HZ LYS 37 1HZ LYS 37 4.810 -18.450 2.919 268 2HZ LYS 37 2HZ LYS 37 6.173 -19.369 2.523 269 3HZ LYS 37 3HZ LYS 37 5.066 -18.938 1.319 270 H ARG 38 H ARG 38 7.305 -12.834 0.087 271 HA ARG 38 HA ARG 38 8.415 -11.991 -2.365 272 1HB ARG 38 1HB ARG 38 5.937 -12.145 -1.640 273 2HB ARG 38 2HB ARG 38 6.184 -10.538 -0.971 274 1HG ARG 38 1HG ARG 38 6.539 -9.587 -3.069 275 2HG ARG 38 2HG ARG 38 6.855 -11.150 -3.824 276 1HD ARG 38 1HD ARG 38 4.188 -10.589 -2.596 277 2HD ARG 38 2HD ARG 38 4.568 -9.964 -4.200 278 HE ARG 38 HE ARG 38 3.971 -12.670 -3.508 279 1HH1 ARG 38 2HH1 ARG 38 5.754 -10.656 -5.718 280 2HH1 ARG 38 1HH1 ARG 38 5.770 -11.837 -6.986 281 1HH2 ARG 38 2HH2 ARG 38 3.986 -14.233 -5.169 282 2HH2 ARG 38 1HH2 ARG 38 4.764 -13.871 -6.673 283 H LEU 39 H LEU 39 8.270 -10.512 0.818 284 HA LEU 39 HA LEU 39 8.984 -7.901 0.173 285 1HB LEU 39 1HB LEU 39 9.284 -9.623 2.580 286 2HB LEU 39 2HB LEU 39 10.164 -8.097 2.532 287 HG LEU 39 HG LEU 39 8.154 -7.697 3.716 288 1HD1 LEU 39 1HD1 LEU 39 8.873 -6.141 1.752 289 2HD1 LEU 39 2HD1 LEU 39 7.331 -5.883 2.566 290 3HD1 LEU 39 3HD1 LEU 39 7.378 -6.710 1.009 291 1HD2 LEU 39 1HD2 LEU 39 5.937 -8.122 2.419 292 2HD2 LEU 39 2HD2 LEU 39 6.717 -9.449 3.280 293 3HD2 LEU 39 3HD2 LEU 39 6.900 -9.303 1.531 294 H LYS 40 H LYS 40 11.014 -10.742 0.726 295 HA LYS 40 HA LYS 40 13.518 -9.612 0.798 296 1HB LYS 40 1HB LYS 40 12.513 -12.208 -0.327 297 2HB LYS 40 2HB LYS 40 14.213 -11.780 -0.462 298 1HG LYS 40 1HG LYS 40 14.590 -11.987 1.781 299 2HG LYS 40 2HG LYS 40 12.920 -11.608 2.209 300 1HD LYS 40 1HD LYS 40 13.280 -13.924 2.668 301 2HD LYS 40 2HD LYS 40 12.259 -13.817 1.232 302 1HE LYS 40 1HE LYS 40 14.617 -13.889 0.018 303 2HE LYS 40 2HE LYS 40 15.081 -14.711 1.508 304 1HZ LYS 40 1HZ LYS 40 12.795 -15.522 -0.204 305 2HZ LYS 40 2HZ LYS 40 13.401 -16.353 1.139 306 3HZ LYS 40 3HZ LYS 40 14.331 -16.228 -0.269 307 H GLY 41 H GLY 41 11.454 -10.174 -1.996 308 1HA GLY 41 1HA GLY 41 13.434 -9.559 -3.953 309 2HA GLY 41 2HA GLY 41 11.697 -9.614 -4.216 310 H LEU 42 H LEU 42 10.638 -7.679 -2.777 311 HA LEU 42 HA LEU 42 11.199 -5.340 -4.184 312 1HB LEU 42 1HB LEU 42 9.724 -5.891 -1.635 313 2HB LEU 42 2HB LEU 42 9.917 -4.244 -2.232 314 HG LEU 42 HG LEU 42 8.708 -6.377 -3.959 315 1HD1 LEU 42 1HD1 LEU 42 6.536 -5.887 -3.147 316 2HD1 LEU 42 2HD1 LEU 42 7.139 -4.589 -2.117 317 3HD1 LEU 42 3HD1 LEU 42 7.531 -6.267 -1.740 318 1HD2 LEU 42 1HD2 LEU 42 9.091 -3.474 -4.039 319 2HD2 LEU 42 2HD2 LEU 42 7.463 -4.005 -4.462 320 3HD2 LEU 42 3HD2 LEU 42 8.854 -4.627 -5.353 321 H SER 43 H SER 43 12.129 -6.259 -0.879 322 HA SER 43 HA SER 43 13.322 -4.091 0.127 323 1HB SER 43 1HB SER 43 14.128 -6.965 0.170 324 2HB SER 43 2HB SER 43 15.246 -5.779 0.841 325 HG SER 43 HG SER 43 13.013 -5.083 1.864 326 H LYS 44 H LYS 44 14.873 -6.219 -2.263 327 HA LYS 44 HA LYS 44 17.153 -4.487 -2.533 328 1HB LYS 44 1HB LYS 44 16.232 -6.967 -3.971 329 2HB LYS 44 2HB LYS 44 17.634 -6.054 -4.512 330 1HG LYS 44 1HG LYS 44 17.399 -7.049 -1.695 331 2HG LYS 44 2HG LYS 44 18.032 -8.063 -2.994 332 1HD LYS 44 1HD LYS 44 19.121 -5.320 -2.407 333 2HD LYS 44 2HD LYS 44 19.734 -6.772 -1.613 334 1HE LYS 44 1HE LYS 44 21.175 -6.675 -3.377 335 2HE LYS 44 2HE LYS 44 19.888 -7.632 -4.110 336 1HZ LYS 44 1HZ LYS 44 19.318 -4.899 -4.450 337 2HZ LYS 44 2HZ LYS 44 19.614 -6.070 -5.634 338 3HZ LYS 44 3HZ LYS 44 20.900 -5.189 -4.975 339 H GLN 45 H GLN 45 14.171 -5.088 -4.290 340 HA GLN 45 HA GLN 45 14.739 -3.753 -6.666 341 1HB GLN 45 1HB GLN 45 12.711 -5.140 -6.215 342 2HB GLN 45 2HB GLN 45 12.072 -3.818 -5.247 343 1HG GLN 45 1HG GLN 45 11.622 -2.514 -7.062 344 2HG GLN 45 2HG GLN 45 12.897 -3.241 -8.039 345 1HE2 GLN 45 1HE2 GLN 45 9.929 -2.767 -8.405 346 2HE2 GLN 45 2HE2 GLN 45 9.323 -4.296 -8.934 347 H LEU 46 H LEU 46 12.986 -2.441 -3.846 348 HA LEU 46 HA LEU 46 13.550 0.263 -4.802 349 1HB LEU 46 1HB LEU 46 11.752 -0.761 -2.613 350 2HB LEU 46 2HB LEU 46 11.979 0.945 -2.992 351 HG LEU 46 HG LEU 46 11.057 -0.878 -5.159 352 1HD1 LEU 46 1HD1 LEU 46 8.966 0.341 -3.460 353 2HD1 LEU 46 2HD1 LEU 46 9.754 -1.110 -2.841 354 3HD1 LEU 46 3HD1 LEU 46 8.940 -1.148 -4.405 355 1HD2 LEU 46 1HD2 LEU 46 10.678 1.050 -6.193 356 2HD2 LEU 46 2HD2 LEU 46 11.451 1.871 -4.838 357 3HD2 LEU 46 3HD2 LEU 46 9.702 1.642 -4.848 358 H ASP 47 H ASP 47 15.594 -1.501 -3.586 359 HA ASP 47 HA ASP 47 17.178 -1.515 -1.921 360 1HB ASP 47 1HB ASP 47 17.958 0.312 -3.300 361 2HB ASP 47 2HB ASP 47 16.863 1.436 -2.499 362 H TRP 48 H TRP 48 14.542 -1.659 -0.870 363 HA TRP 48 HA TRP 48 14.728 -0.020 1.565 364 1HB TRP 48 1HB TRP 48 12.455 -1.228 0.060 365 2HB TRP 48 2HB TRP 48 12.292 -1.066 1.806 366 HD1 TRP 48 HD TRP 48 14.249 1.658 0.066 367 HE1 TRP 48 1HE TRP 48 12.856 3.822 0.040 368 HE3 TRP 48 3HE TRP 48 9.785 -0.231 1.691 369 HZ2 TRP 48 2HZ TRP 48 10.214 4.623 0.631 370 HZ3 TRP 48 3HZ TRP 48 7.875 1.301 1.935 371 HH2 TRP 48 HH TRP 48 8.087 3.677 1.415 372 H SER 49 H SER 49 13.381 -1.380 3.398 373 HA SER 49 HA SER 49 14.958 -3.841 3.726 374 1HB SER 49 1HB SER 49 13.955 -1.775 5.641 375 2HB SER 49 2HB SER 49 14.169 -3.428 6.217 376 HG SER 49 HG SER 49 16.062 -2.191 6.505 377 H VAL 50 H VAL 50 13.990 -5.748 4.364 378 HA VAL 50 HA VAL 50 11.517 -6.414 3.393 379 HB VAL 50 HB VAL 50 13.160 -8.087 4.089 380 1HG1 VAL 50 1HG1 VAL 50 14.085 -7.284 6.077 381 2HG1 VAL 50 2HG1 VAL 50 12.505 -7.062 6.831 382 3HG1 VAL 50 3HG1 VAL 50 13.145 -8.687 6.584 383 1HG2 VAL 50 1HG2 VAL 50 11.335 -9.364 3.940 384 2HG2 VAL 50 2HG2 VAL 50 11.290 -9.315 5.702 385 3HG2 VAL 50 3HG2 VAL 50 10.332 -8.169 4.764 386 H ARG 51 H ARG 51 12.305 -5.020 6.510 387 HA ARG 51 HA ARG 51 9.630 -5.362 7.547 388 1HB ARG 51 1HB ARG 51 12.153 -4.101 8.568 389 2HB ARG 51 2HB ARG 51 10.619 -3.773 9.363 390 1HG ARG 51 1HG ARG 51 10.337 -6.020 9.984 391 2HG ARG 51 2HG ARG 51 11.592 -6.568 8.872 392 1HD ARG 51 1HD ARG 51 12.504 -6.631 11.073 393 2HD ARG 51 2HD ARG 51 13.243 -5.271 10.230 394 HE ARG 51 HE ARG 51 10.929 -4.537 11.758 395 1HH1 ARG 51 2HH1 ARG 51 14.361 -5.105 11.879 396 2HH1 ARG 51 1HH1 ARG 51 14.612 -4.094 13.263 397 1HH2 ARG 51 2HH2 ARG 51 11.246 -3.203 13.581 398 2HH2 ARG 51 1HH2 ARG 51 12.839 -3.013 14.231 399 H LYS 52 H LYS 52 11.651 -2.651 6.458 400 HA LYS 52 HA LYS 52 9.900 -0.561 6.912 401 1HB LYS 52 1HB LYS 52 12.321 -0.522 6.033 402 2HB LYS 52 2HB LYS 52 11.606 -0.706 4.437 403 1HG LYS 52 1HG LYS 52 10.220 1.350 4.988 404 2HG LYS 52 2HG LYS 52 11.310 1.579 6.357 405 1HD LYS 52 1HD LYS 52 13.216 1.506 4.720 406 2HD LYS 52 2HD LYS 52 12.015 1.543 3.427 407 1HE LYS 52 1HE LYS 52 11.223 3.685 4.132 408 2HE LYS 52 2HE LYS 52 12.194 3.621 5.601 409 1HZ LYS 52 1HZ LYS 52 13.015 4.973 3.568 410 2HZ LYS 52 2HZ LYS 52 13.523 3.469 2.983 411 3HZ LYS 52 3HZ LYS 52 14.120 4.049 4.456 412 H ILE 53 H ILE 53 10.146 -2.632 4.036 413 HA ILE 53 HA ILE 53 8.169 -1.391 2.502 414 HB ILE 53 HB ILE 53 8.950 -4.308 2.541 415 1HG1 ILE 53 1HG1 ILE 53 9.872 -2.038 0.764 416 2HG1 ILE 53 2HG1 ILE 53 10.811 -2.749 2.072 417 1HG2 ILE 53 1HG2 ILE 53 7.664 -2.838 0.260 418 2HG2 ILE 53 2HG2 ILE 53 7.866 -4.576 0.476 419 3HG2 ILE 53 3HG2 ILE 53 6.717 -3.691 1.479 420 1HD1 ILE 53 1HD1 ILE 53 9.813 -4.590 -0.011 421 2HD1 ILE 53 2HD1 ILE 53 11.097 -3.469 -0.467 422 3HD1 ILE 53 3HD1 ILE 53 11.338 -4.589 0.873 423 H GLN 54 H GLN 54 7.854 -4.337 4.494 424 HA GLN 54 HA GLN 54 5.251 -4.940 4.272 425 1HB GLN 54 1HB GLN 54 7.014 -4.892 6.697 426 2HB GLN 54 2HB GLN 54 5.331 -5.380 6.842 427 1HG GLN 54 1HG GLN 54 5.963 -6.966 4.843 428 2HG GLN 54 2HG GLN 54 7.592 -6.738 5.476 429 1HE2 GLN 54 1HE2 GLN 54 6.114 -9.175 5.403 430 2HE2 GLN 54 2HE2 GLN 54 5.897 -9.695 7.036 431 H CYS 55 H CYS 55 6.495 -2.387 6.414 432 HA CYS 55 HA CYS 55 4.122 -1.541 7.540 433 1HB CYS 55 1HB CYS 55 6.536 -0.740 7.976 434 2HB CYS 55 2HB CYS 55 6.243 0.413 6.680 435 HG CYS 55 HG CYS 55 5.956 1.511 9.342 436 H TRP 56 H TRP 56 5.591 -0.466 4.489 437 HA TRP 56 HA TRP 56 3.745 1.473 3.776 438 1HB TRP 56 1HB TRP 56 5.855 1.062 2.564 439 2HB TRP 56 2HB TRP 56 5.191 -0.441 1.931 440 HD1 TRP 56 HD TRP 56 5.249 3.273 1.317 441 HE1 TRP 56 1HE TRP 56 3.898 3.815 -0.806 442 HE3 TRP 56 3HE TRP 56 3.047 -1.280 0.572 443 HZ2 TRP 56 2HZ TRP 56 2.133 2.488 -2.563 444 HZ3 TRP 56 3HZ TRP 56 1.541 -1.560 -1.354 445 HH2 TRP 56 HH TRP 56 1.094 0.286 -2.887 446 H PHE 57 H PHE 57 3.721 -1.975 2.866 447 HA PHE 57 HA PHE 57 1.410 -2.065 1.398 448 1HB PHE 57 1HB PHE 57 2.781 -4.031 3.178 449 2HB PHE 57 2HB PHE 57 1.178 -4.431 2.570 450 HD1 PHE 57 1HD PHE 57 4.653 -3.697 1.619 451 HD2 PHE 57 2HD PHE 57 0.830 -5.014 0.290 452 HE1 PHE 57 1HE PHE 57 5.653 -4.450 -0.500 453 HE2 PHE 57 2HE PHE 57 1.824 -5.770 -1.830 454 HZ PHE 57 HZ PHE 57 4.238 -5.489 -2.227 455 H ARG 58 H ARG 58 1.617 -2.663 4.909 456 HA ARG 58 HA ARG 58 -1.109 -2.872 5.404 457 1HB ARG 58 1HB ARG 58 1.216 -2.026 7.108 458 2HB ARG 58 2HB ARG 58 -0.421 -2.003 7.750 459 1HG ARG 58 1HG ARG 58 -0.510 -4.456 6.910 460 2HG ARG 58 2HG ARG 58 1.250 -4.330 6.914 461 1HD ARG 58 1HD ARG 58 0.734 -5.182 9.027 462 2HD ARG 58 2HD ARG 58 0.996 -3.461 9.307 463 HE ARG 58 HE ARG 58 -1.732 -3.896 8.819 464 1HH1 ARG 58 2HH1 ARG 58 0.693 -4.561 11.227 465 2HH1 ARG 58 1HH1 ARG 58 -0.433 -4.583 12.543 466 1HH2 ARG 58 2HH2 ARG 58 -3.224 -3.922 10.544 467 2HH2 ARG 58 1HH2 ARG 58 -2.661 -4.220 12.153 468 H HIS 59 H HIS 59 0.872 -0.058 4.891 469 HA HIS 59 HA HIS 59 -0.991 1.838 5.943 470 1HB HIS 59 1HB HIS 59 1.571 2.088 5.513 471 2HB HIS 59 2HB HIS 59 1.076 2.529 3.881 472 HD1 HIS 59 1HD HIS 59 2.311 4.305 6.402 473 HD2 HIS 59 2HD HIS 59 -1.455 4.472 4.655 474 HE1 HIS 59 1HE HIS 59 1.431 6.603 6.919 475 HE2 HIS 59 2HE HIS 59 -0.883 6.651 5.925 476 H ARG 60 H ARG 60 0.101 1.355 2.580 477 HA ARG 60 HA ARG 60 -1.626 2.828 1.177 478 1HB ARG 60 1HB ARG 60 0.009 1.394 0.094 479 2HB ARG 60 2HB ARG 60 -0.897 -0.039 0.560 480 1HG ARG 60 1HG ARG 60 -1.320 0.401 -1.743 481 2HG ARG 60 2HG ARG 60 -2.786 0.776 -0.834 482 1HD ARG 60 1HD ARG 60 -2.680 2.639 -2.140 483 2HD ARG 60 2HD ARG 60 -1.694 3.187 -0.785 484 HE ARG 60 HE ARG 60 0.035 1.985 -2.576 485 1HH1 ARG 60 2HH1 ARG 60 -2.159 4.688 -2.556 486 2HH1 ARG 60 1HH1 ARG 60 -1.246 5.605 -3.708 487 1HH2 ARG 60 2HH2 ARG 60 1.246 3.183 -4.093 488 2HH2 ARG 60 1HH2 ARG 60 0.690 4.748 -4.582 489 H ARG 61 H ARG 61 -2.423 -0.434 2.364 490 HA ARG 61 HA ARG 61 -4.891 -0.898 1.460 491 1HB ARG 61 1HB ARG 61 -3.933 -1.177 4.308 492 2HB ARG 61 2HB ARG 61 -5.467 -1.828 3.746 493 1HG ARG 61 1HG ARG 61 -4.186 -3.134 2.037 494 2HG ARG 61 2HG ARG 61 -2.708 -2.604 2.842 495 1HD ARG 61 1HD ARG 61 -3.382 -4.820 3.608 496 2HD ARG 61 2HD ARG 61 -3.458 -3.643 4.918 497 HE ARG 61 HE ARG 61 -5.684 -5.023 3.674 498 1HH1 ARG 61 2HH1 ARG 61 -4.628 -2.433 5.748 499 2HH1 ARG 61 1HH1 ARG 61 -6.161 -2.264 6.536 500 1HH2 ARG 61 2HH2 ARG 61 -7.708 -4.810 4.705 501 2HH2 ARG 61 1HH2 ARG 61 -7.912 -3.617 5.943 502 H ASN 62 H ASN 62 -4.302 1.156 4.317 503 HA ASN 62 HA ASN 62 -6.928 1.963 4.740 504 1HB ASN 62 1HB ASN 62 -4.260 3.152 5.395 505 2HB ASN 62 2HB ASN 62 -5.715 4.102 5.681 506 1HD2 ASN 62 1HD2 ASN 62 -3.949 1.228 6.548 507 2HD2 ASN 62 2HD2 ASN 62 -4.795 0.914 8.021 508 H GLN 63 H GLN 63 -4.377 3.686 2.939 509 HA GLN 63 HA GLN 63 -5.817 5.862 2.078 510 1HB GLN 63 1HB GLN 63 -3.344 5.310 1.707 511 2HB GLN 63 2HB GLN 63 -3.873 4.421 0.284 512 1HG GLN 63 1HG GLN 63 -3.340 6.451 -0.625 513 2HG GLN 63 2HG GLN 63 -5.066 6.651 -0.327 514 1HE2 GLN 63 1HE2 GLN 63 -2.295 8.246 -0.198 515 2HE2 GLN 63 2HE2 GLN 63 -2.585 9.306 1.134 516 H ASP 64 H ASP 64 -5.585 2.681 0.516 517 HA ASP 64 HA ASP 64 -7.084 3.183 -1.755 518 1HB ASP 64 1HB ASP 64 -5.819 1.057 -1.126 519 2HB ASP 64 2HB ASP 64 -7.252 0.598 -0.210 520 H LYS 65 H LYS 65 -8.272 1.887 1.347 521 HA LYS 65 HA LYS 65 -11.011 2.048 0.586 522 1HB LYS 65 1HB LYS 65 -9.521 1.456 3.099 523 2HB LYS 65 2HB LYS 65 -11.221 1.885 3.230 524 1HG LYS 65 1HG LYS 65 -10.284 -0.272 1.371 525 2HG LYS 65 2HG LYS 65 -10.623 -0.589 3.074 526 1HD LYS 65 1HD LYS 65 -12.892 0.526 2.623 527 2HD LYS 65 2HD LYS 65 -12.508 0.305 0.915 528 1HE LYS 65 1HE LYS 65 -12.425 -1.951 2.903 529 2HE LYS 65 2HE LYS 65 -13.890 -1.516 2.023 530 1HZ LYS 65 1HZ LYS 65 -12.219 -1.698 0.002 531 2HZ LYS 65 2HZ LYS 65 -13.052 -3.043 0.600 532 3HZ LYS 65 3HZ LYS 65 -11.444 -2.775 1.051 533 HA PRO 66 HA PRO 66 -11.924 6.267 1.413 534 1HB PRO 66 1HB PRO 66 -14.541 6.063 2.104 535 2HB PRO 66 2HB PRO 66 -13.968 5.873 0.442 536 1HG PRO 66 1HG PRO 66 -14.666 3.772 2.456 537 2HG PRO 66 2HG PRO 66 -15.061 3.841 0.729 538 1HD PRO 66 1HD PRO 66 -13.033 2.332 1.701 539 2HD PRO 66 2HD PRO 66 -12.977 3.086 0.095 540 H SER 67 H SER 67 -10.772 6.882 3.211 541 HA SER 67 HA SER 67 -11.862 6.200 5.848 542 1HB SER 67 1HB SER 67 -9.205 7.465 5.133 543 2HB SER 67 2HB SER 67 -9.712 6.964 6.746 544 HG SER 67 HG SER 67 -9.456 4.901 6.208 545 H GLY 68 H GLY 68 -12.493 7.749 7.317 546 1HA GLY 68 1HA GLY 68 -12.078 10.403 7.465 547 2HA GLY 68 2HA GLY 68 -13.262 10.299 6.171 548 HA PRO 69 HA PRO 69 -15.284 10.364 10.450 549 1HB PRO 69 1HB PRO 69 -16.433 12.816 10.252 550 2HB PRO 69 2HB PRO 69 -14.816 12.564 10.920 551 1HG PRO 69 1HG PRO 69 -15.614 13.456 8.176 552 2HG PRO 69 2HG PRO 69 -14.322 14.074 9.222 553 1HD PRO 69 1HD PRO 69 -13.848 12.366 7.175 554 2HD PRO 69 2HD PRO 69 -12.881 12.364 8.664 555 H SER 70 H SER 70 -16.432 11.692 7.357 556 HA SER 70 HA SER 70 -18.982 10.281 7.796 557 1HB SER 70 1HB SER 70 -20.097 12.016 6.487 558 2HB SER 70 2HB SER 70 -19.240 12.743 7.846 559 HG SER 70 HG SER 70 -17.487 13.100 6.283 560 H SER 71 H SER 71 -18.561 8.420 6.695 561 HA SER 71 HA SER 71 -17.611 8.633 3.926 562 1HB SER 71 1HB SER 71 -17.893 6.168 5.661 563 2HB SER 71 2HB SER 71 -17.144 6.241 4.067 564 HG SER 71 HG SER 71 -15.841 6.440 6.196 565 H GLY 72 H GLY 72 -18.704 7.559 2.225 566 1HA GLY 72 1HA GLY 72 -21.434 7.909 2.087 567 2HA GLY 72 2HA GLY 72 -20.534 6.808 1.055 Start of MODEL 3 1 1H GLY 1 H GLY 1 16.809 -11.484 17.643 2 1HA GLY 1 1HA GLY 1 14.679 -10.241 16.409 3 2HA GLY 1 2HA GLY 1 16.273 -9.520 16.579 4 H SER 2 H SER 2 17.892 -10.147 14.904 5 HA SER 2 HA SER 2 18.446 -9.866 12.693 6 1HB SER 2 1HB SER 2 18.091 -11.827 11.408 7 2HB SER 2 2HB SER 2 18.128 -12.375 13.084 8 HG SER 2 HG SER 2 15.999 -12.734 13.037 9 H SER 3 H SER 3 16.401 -8.121 13.371 10 HA SER 3 HA SER 3 14.388 -8.283 11.275 11 1HB SER 3 1HB SER 3 14.784 -6.142 13.378 12 2HB SER 3 2HB SER 3 13.365 -6.359 12.353 13 HG SER 3 HG SER 3 13.774 -8.661 13.545 14 H GLY 4 H GLY 4 16.845 -5.934 12.361 15 1HA GLY 4 1HA GLY 4 17.965 -4.285 11.222 16 2HA GLY 4 2HA GLY 4 17.913 -5.392 9.859 17 H SER 5 H SER 5 15.587 -3.327 11.608 18 HA SER 5 HA SER 5 14.429 -2.568 9.024 19 1HB SER 5 1HB SER 5 12.517 -1.749 10.324 20 2HB SER 5 2HB SER 5 12.880 -3.423 10.741 21 HG SER 5 HG SER 5 13.836 -2.726 12.629 22 H SER 6 H SER 6 15.735 -0.980 8.236 23 HA SER 6 HA SER 6 16.418 1.279 9.963 24 1HB SER 6 1HB SER 6 17.815 1.991 7.986 25 2HB SER 6 2HB SER 6 18.273 0.441 8.692 26 HG SER 6 HG SER 6 17.999 -0.332 6.768 27 H GLY 7 H GLY 7 14.790 2.701 10.128 28 1HA GLY 7 1HA GLY 7 13.458 3.542 7.626 29 2HA GLY 7 2HA GLY 7 12.657 3.511 9.190 30 H GLY 8 H GLY 8 12.715 5.779 7.552 31 1HA GLY 8 1HA GLY 8 13.422 7.782 9.339 32 2HA GLY 8 2HA GLY 8 14.793 7.580 8.258 33 H ILE 9 H ILE 9 12.294 9.508 8.754 34 HA ILE 9 HA ILE 9 12.138 10.258 5.939 35 HB ILE 9 HB ILE 9 9.697 10.541 6.022 36 1HG1 ILE 9 1HG1 ILE 9 8.648 9.039 7.955 37 2HG1 ILE 9 2HG1 ILE 9 10.117 9.525 8.794 38 1HG2 ILE 9 1HG2 ILE 9 10.528 8.548 4.995 39 2HG2 ILE 9 2HG2 ILE 9 10.725 7.762 6.561 40 3HG2 ILE 9 3HG2 ILE 9 9.109 8.117 5.949 41 1HD1 ILE 9 1HD1 ILE 9 9.331 11.914 7.930 42 2HD1 ILE 9 2HD1 ILE 9 7.759 11.118 8.013 43 3HD1 ILE 9 3HD1 ILE 9 8.776 11.215 9.450 44 H LYS 10 H LYS 10 11.174 12.419 5.638 45 HA LYS 10 HA LYS 10 11.512 14.109 8.029 46 1HB LYS 10 1HB LYS 10 12.486 14.506 5.216 47 2HB LYS 10 2HB LYS 10 12.201 15.888 6.265 48 1HG LYS 10 1HG LYS 10 14.448 15.478 6.571 49 2HG LYS 10 2HG LYS 10 13.720 14.631 7.938 50 1HD LYS 10 1HD LYS 10 13.695 12.629 6.197 51 2HD LYS 10 2HD LYS 10 15.033 13.546 5.501 52 1HE LYS 10 1HE LYS 10 16.373 13.247 7.346 53 2HE LYS 10 2HE LYS 10 15.005 13.036 8.438 54 1HZ LYS 10 1HZ LYS 10 14.609 10.860 7.441 55 2HZ LYS 10 2HZ LYS 10 16.162 10.956 8.103 56 3HZ LYS 10 3HZ LYS 10 15.949 11.062 6.429 57 H ASP 11 H ASP 11 10.102 14.089 4.754 58 HA ASP 11 HA ASP 11 7.564 14.980 5.797 59 1HB ASP 11 1HB ASP 11 7.441 17.085 4.828 60 2HB ASP 11 2HB ASP 11 9.114 17.042 5.375 61 H SER 12 H SER 12 5.932 14.206 4.598 62 HA SER 12 HA SER 12 6.281 13.658 1.773 63 1HB SER 12 1HB SER 12 5.840 11.459 3.799 64 2HB SER 12 2HB SER 12 5.500 11.267 2.079 65 HG SER 12 HG SER 12 8.007 11.899 3.252 66 HA PRO 13 HA PRO 13 2.040 14.874 1.868 67 1HB PRO 13 1HB PRO 13 1.381 14.139 -0.661 68 2HB PRO 13 2HB PRO 13 2.358 15.567 -0.300 69 1HG PRO 13 1HG PRO 13 3.237 12.844 -1.180 70 2HG PRO 13 2HG PRO 13 3.808 14.433 -1.721 71 1HD PRO 13 1HD PRO 13 5.169 12.929 0.073 72 2HD PRO 13 2HD PRO 13 5.180 14.704 0.112 73 H VAL 14 H VAL 14 -0.127 13.964 1.565 74 HA VAL 14 HA VAL 14 -0.258 11.264 2.550 75 HB VAL 14 HB VAL 14 -2.487 13.160 1.794 76 1HG1 VAL 14 1HG1 VAL 14 -3.118 10.758 1.774 77 2HG1 VAL 14 2HG1 VAL 14 -2.615 10.651 3.463 78 3HG1 VAL 14 3HG1 VAL 14 -3.960 11.698 3.006 79 1HG2 VAL 14 1HG2 VAL 14 -2.680 13.319 4.329 80 2HG2 VAL 14 2HG2 VAL 14 -1.069 12.605 4.385 81 3HG2 VAL 14 3HG2 VAL 14 -1.320 14.153 3.578 82 H ASN 15 H ASN 15 -0.706 12.875 -0.502 83 HA ASN 15 HA ASN 15 -2.162 10.790 -1.785 84 1HB ASN 15 1HB ASN 15 -0.781 13.284 -2.640 85 2HB ASN 15 2HB ASN 15 -1.071 12.060 -3.873 86 1HD2 ASN 15 1HD2 ASN 15 -2.392 14.588 -2.069 87 2HD2 ASN 15 2HD2 ASN 15 -4.034 14.423 -2.580 88 H LYS 16 H LYS 16 1.265 11.706 -1.718 89 HA LYS 16 HA LYS 16 1.917 9.144 -3.011 90 1HB LYS 16 1HB LYS 16 3.552 11.676 -2.772 91 2HB LYS 16 2HB LYS 16 4.118 10.184 -3.511 92 1HG LYS 16 1HG LYS 16 1.706 11.702 -4.470 93 2HG LYS 16 2HG LYS 16 3.334 11.936 -5.111 94 1HD LYS 16 1HD LYS 16 2.151 9.191 -5.003 95 2HD LYS 16 2HD LYS 16 1.694 10.297 -6.301 96 1HE LYS 16 1HE LYS 16 3.789 10.291 -7.227 97 2HE LYS 16 2HE LYS 16 4.585 9.945 -5.692 98 1HZ LYS 16 1HZ LYS 16 4.002 8.151 -7.696 99 2HZ LYS 16 2HZ LYS 16 2.896 7.799 -6.466 100 3HZ LYS 16 3HZ LYS 16 4.556 7.788 -6.139 101 H VAL 17 H VAL 17 1.473 8.241 -0.801 102 HA VAL 17 HA VAL 17 2.747 8.687 1.529 103 HB VAL 17 HB VAL 17 2.720 6.273 1.984 104 1HG1 VAL 17 1HG1 VAL 17 0.644 7.244 2.360 105 2HG1 VAL 17 2HG1 VAL 17 0.361 7.542 0.644 106 3HG1 VAL 17 3HG1 VAL 17 0.262 5.901 1.283 107 1HG2 VAL 17 1HG2 VAL 17 1.828 4.778 0.144 108 2HG2 VAL 17 2HG2 VAL 17 2.221 6.081 -0.978 109 3HG2 VAL 17 3HG2 VAL 17 3.498 5.316 -0.033 110 H GLU 18 H GLU 18 4.139 6.769 -1.134 111 HA GLU 18 HA GLU 18 6.778 7.724 -0.565 112 1HB GLU 18 1HB GLU 18 5.911 5.045 0.390 113 2HB GLU 18 2HB GLU 18 7.505 5.162 -0.341 114 1HG GLU 18 1HG GLU 18 6.474 6.516 2.122 115 2HG GLU 18 2HG GLU 18 7.861 5.442 1.949 116 HA PRO 19 HA PRO 19 7.454 6.684 -4.771 117 1HB PRO 19 1HB PRO 19 10.072 5.966 -4.796 118 2HB PRO 19 2HB PRO 19 9.536 7.636 -4.579 119 1HG PRO 19 1HG PRO 19 10.402 5.643 -2.521 120 2HG PRO 19 2HG PRO 19 10.806 7.365 -2.651 121 1HD PRO 19 1HD PRO 19 8.915 6.437 -0.950 122 2HD PRO 19 2HD PRO 19 8.807 8.033 -1.718 123 H ASN 20 H ASN 20 7.284 4.349 -2.460 124 HA ASN 20 HA ASN 20 8.212 2.113 -4.045 125 1HB ASN 20 1HB ASN 20 7.108 2.479 -1.300 126 2HB ASN 20 2HB ASN 20 6.947 0.892 -2.044 127 1HD2 ASN 20 1HD2 ASN 20 8.351 -0.120 -0.666 128 2HD2 ASN 20 2HD2 ASN 20 10.053 0.175 -0.668 129 H ASP 21 H ASP 21 5.990 3.867 -4.987 130 HA ASP 21 HA ASP 21 3.474 2.840 -4.813 131 1HB ASP 21 1HB ASP 21 3.760 4.768 -6.145 132 2HB ASP 21 2HB ASP 21 4.949 3.980 -7.178 133 H THR 22 H THR 22 6.141 1.575 -6.752 134 HA THR 22 HA THR 22 5.080 -0.238 -8.397 135 HB THR 22 HB THR 22 7.405 -0.621 -6.522 136 HG1 THR 22 1HG THR 22 8.485 0.217 -8.150 137 1HG2 THR 22 1HG2 THR 22 6.594 -2.461 -8.776 138 2HG2 THR 22 2HG2 THR 22 6.443 -2.835 -7.059 139 3HG2 THR 22 3HG2 THR 22 8.038 -2.601 -7.774 140 H LEU 23 H LEU 23 5.013 -0.450 -4.903 141 HA LEU 23 HA LEU 23 4.134 -3.145 -4.740 142 1HB LEU 23 1HB LEU 23 4.108 -0.816 -2.855 143 2HB LEU 23 2HB LEU 23 3.314 -2.332 -2.431 144 HG LEU 23 HG LEU 23 5.377 -3.509 -2.425 145 1HD1 LEU 23 1HD1 LEU 23 6.342 -2.434 -4.421 146 2HD1 LEU 23 2HD1 LEU 23 7.487 -2.537 -3.084 147 3HD1 LEU 23 3HD1 LEU 23 6.699 -1.003 -3.454 148 1HD2 LEU 23 1HD2 LEU 23 5.906 -2.724 -0.417 149 2HD2 LEU 23 2HD2 LEU 23 4.862 -1.339 -0.736 150 3HD2 LEU 23 3HD2 LEU 23 6.583 -1.252 -1.114 151 H GLU 24 H GLU 24 2.423 -0.032 -4.623 152 HA GLU 24 HA GLU 24 -0.121 -0.696 -4.082 153 1HB GLU 24 1HB GLU 24 0.469 1.568 -4.670 154 2HB GLU 24 2HB GLU 24 0.825 1.092 -6.325 155 1HG GLU 24 1HG GLU 24 -1.910 0.695 -5.188 156 2HG GLU 24 2HG GLU 24 -1.407 2.271 -5.799 157 H LYS 25 H LYS 25 1.622 -1.563 -6.984 158 HA LYS 25 HA LYS 25 -0.699 -2.560 -8.364 159 1HB LYS 25 1HB LYS 25 1.155 -1.702 -9.663 160 2HB LYS 25 2HB LYS 25 2.258 -2.852 -8.917 161 1HG LYS 25 1HG LYS 25 0.710 -4.651 -9.920 162 2HG LYS 25 2HG LYS 25 0.112 -3.341 -10.942 163 1HD LYS 25 1HD LYS 25 2.371 -2.925 -11.754 164 2HD LYS 25 2HD LYS 25 2.999 -4.192 -10.697 165 1HE LYS 25 1HE LYS 25 2.795 -5.114 -12.886 166 2HE LYS 25 2HE LYS 25 1.513 -5.809 -11.895 167 1HZ LYS 25 1HZ LYS 25 1.117 -3.483 -13.693 168 2HZ LYS 25 2HZ LYS 25 -0.076 -4.374 -12.890 169 3HZ LYS 25 3HZ LYS 25 0.804 -5.082 -14.149 170 H VAL 26 H VAL 26 2.288 -4.242 -7.376 171 HA VAL 26 HA VAL 26 1.466 -6.825 -7.591 172 HB VAL 26 HB VAL 26 3.710 -5.731 -6.656 173 1HG1 VAL 26 1HG1 VAL 26 2.597 -5.145 -4.497 174 2HG1 VAL 26 2HG1 VAL 26 2.462 -6.872 -4.163 175 3HG1 VAL 26 3HG1 VAL 26 4.052 -6.126 -4.325 176 1HG2 VAL 26 1HG2 VAL 26 2.809 -8.271 -7.197 177 2HG2 VAL 26 2HG2 VAL 26 4.475 -7.825 -6.829 178 3HG2 VAL 26 3HG2 VAL 26 3.416 -8.409 -5.546 179 H PHE 27 H PHE 27 0.756 -4.603 -4.949 180 HA PHE 27 HA PHE 27 -0.284 -6.308 -3.058 181 1HB PHE 27 1HB PHE 27 -0.122 -4.051 -2.433 182 2HB PHE 27 2HB PHE 27 -1.018 -3.501 -3.846 183 HD1 PHE 27 1HD PHE 27 -1.222 -4.637 -0.429 184 HD2 PHE 27 2HD PHE 27 -3.475 -3.851 -3.954 185 HE1 PHE 27 1HE PHE 27 -3.289 -4.595 0.905 186 HE2 PHE 27 2HE PHE 27 -5.545 -3.807 -2.625 187 HZ PHE 27 HZ PHE 27 -5.454 -4.179 -0.193 188 H VAL 28 H VAL 28 -1.969 -4.877 -5.837 189 HA VAL 28 HA VAL 28 -4.221 -6.706 -5.348 190 HB VAL 28 HB VAL 28 -4.925 -4.403 -5.443 191 1HG1 VAL 28 1HG1 VAL 28 -3.043 -4.301 -7.681 192 2HG1 VAL 28 2HG1 VAL 28 -4.569 -3.467 -7.984 193 3HG1 VAL 28 3HG1 VAL 28 -3.582 -3.024 -6.591 194 1HG2 VAL 28 1HG2 VAL 28 -5.765 -5.273 -8.144 195 2HG2 VAL 28 2HG2 VAL 28 -6.083 -6.386 -6.813 196 3HG2 VAL 28 3HG2 VAL 28 -6.735 -4.748 -6.768 197 H SER 29 H SER 29 -1.471 -6.804 -6.963 198 HA SER 29 HA SER 29 -2.588 -7.821 -9.479 199 1HB SER 29 1HB SER 29 -0.554 -6.128 -9.218 200 2HB SER 29 2HB SER 29 0.357 -7.626 -9.031 201 HG SER 29 HG SER 29 -0.560 -6.510 -11.271 202 H VAL 30 H VAL 30 -0.293 -8.724 -6.918 203 HA VAL 30 HA VAL 30 -0.574 -11.535 -7.746 204 HB VAL 30 HB VAL 30 1.514 -12.012 -6.740 205 1HG1 VAL 30 1HG1 VAL 30 1.522 -9.443 -8.288 206 2HG1 VAL 30 2HG1 VAL 30 3.023 -10.204 -7.757 207 3HG1 VAL 30 3HG1 VAL 30 1.928 -11.069 -8.837 208 1HG2 VAL 30 1HG2 VAL 30 2.785 -10.343 -5.438 209 2HG2 VAL 30 2HG2 VAL 30 1.408 -9.246 -5.539 210 3HG2 VAL 30 3HG2 VAL 30 1.255 -10.776 -4.676 211 H THR 31 H THR 31 -0.506 -9.418 -4.900 212 HA THR 31 HA THR 31 -2.570 -10.834 -3.584 213 HB THR 31 HB THR 31 -0.770 -12.497 -3.243 214 HG1 THR 31 1HG THR 31 -2.447 -12.065 -1.625 215 1HG2 THR 31 1HG2 THR 31 0.823 -10.240 -2.800 216 2HG2 THR 31 2HG2 THR 31 1.300 -11.930 -2.634 217 3HG2 THR 31 3HG2 THR 31 0.701 -11.041 -1.234 218 H LYS 32 H LYS 32 -3.355 -9.719 -1.824 219 HA LYS 32 HA LYS 32 -2.432 -7.012 -1.536 220 1HB LYS 32 1HB LYS 32 -4.637 -8.547 -0.153 221 2HB LYS 32 2HB LYS 32 -4.321 -6.835 0.098 222 1HG LYS 32 1HG LYS 32 -4.799 -6.378 -2.235 223 2HG LYS 32 2HG LYS 32 -5.049 -8.099 -2.537 224 1HD LYS 32 1HD LYS 32 -6.892 -8.049 -0.852 225 2HD LYS 32 2HD LYS 32 -6.698 -6.296 -0.768 226 1HE LYS 32 1HE LYS 32 -8.418 -6.547 -2.302 227 2HE LYS 32 2HE LYS 32 -6.999 -6.380 -3.335 228 1HZ LYS 32 1HZ LYS 32 -7.588 -8.288 -4.264 229 2HZ LYS 32 2HZ LYS 32 -8.810 -8.553 -3.125 230 3HZ LYS 32 3HZ LYS 32 -7.232 -9.075 -2.810 231 H TYR 33 H TYR 33 -2.262 -9.975 0.324 232 HA TYR 33 HA TYR 33 -0.712 -8.545 2.382 233 1HB TYR 33 1HB TYR 33 -2.134 -11.187 2.732 234 2HB TYR 33 2HB TYR 33 -1.404 -10.192 3.986 235 HD1 TYR 33 1HD TYR 33 -2.597 -8.383 4.972 236 HD2 TYR 33 2HD TYR 33 -4.223 -10.425 1.612 237 HE1 TYR 33 1HE TYR 33 -4.752 -7.256 5.338 238 HE2 TYR 33 2HE TYR 33 -6.382 -9.302 1.968 239 HH TYR 33 HH TYR 33 -7.089 -6.998 3.138 240 HA PRO 34 HA PRO 34 2.284 -11.264 0.165 241 1HB PRO 34 1HB PRO 34 4.330 -9.486 0.309 242 2HB PRO 34 2HB PRO 34 3.118 -9.453 -0.977 243 1HG PRO 34 1HG PRO 34 3.286 -7.796 1.510 244 2HG PRO 34 2HG PRO 34 2.882 -7.296 -0.142 245 1HD PRO 34 1HD PRO 34 0.996 -7.713 1.755 246 2HD PRO 34 2HD PRO 34 0.704 -8.030 0.033 247 H ASP 35 H ASP 35 4.288 -12.187 0.940 248 HA ASP 35 HA ASP 35 4.641 -11.898 3.852 249 1HB ASP 35 1HB ASP 35 5.514 -14.367 3.572 250 2HB ASP 35 2HB ASP 35 3.790 -14.039 3.722 251 H GLU 36 H GLU 36 6.832 -12.662 4.602 252 HA GLU 36 HA GLU 36 8.869 -11.132 3.820 253 1HB GLU 36 1HB GLU 36 10.448 -12.927 4.568 254 2HB GLU 36 2HB GLU 36 9.146 -12.585 5.700 255 1HG GLU 36 1HG GLU 36 9.093 -14.855 3.729 256 2HG GLU 36 2HG GLU 36 9.669 -15.003 5.388 257 H LYS 37 H LYS 37 8.038 -14.214 2.287 258 HA LYS 37 HA LYS 37 10.088 -14.596 0.545 259 1HB LYS 37 1HB LYS 37 7.155 -15.082 0.367 260 2HB LYS 37 2HB LYS 37 8.104 -15.268 -1.103 261 1HG LYS 37 1HG LYS 37 8.194 -17.395 -0.304 262 2HG LYS 37 2HG LYS 37 9.632 -16.726 0.471 263 1HD LYS 37 1HD LYS 37 8.055 -16.160 2.425 264 2HD LYS 37 2HD LYS 37 6.938 -17.296 1.665 265 1HE LYS 37 1HE LYS 37 9.784 -17.995 2.354 266 2HE LYS 37 2HE LYS 37 8.438 -18.246 3.464 267 1HZ LYS 37 1HZ LYS 37 8.741 -20.270 2.349 268 2HZ LYS 37 2HZ LYS 37 8.896 -19.529 0.836 269 3HZ LYS 37 3HZ LYS 37 7.391 -19.569 1.608 270 H ARG 38 H ARG 38 7.163 -12.743 -0.328 271 HA ARG 38 HA ARG 38 8.225 -11.690 -2.706 272 1HB ARG 38 1HB ARG 38 5.765 -11.769 -1.752 273 2HB ARG 38 2HB ARG 38 6.178 -10.169 -1.149 274 1HG ARG 38 1HG ARG 38 6.311 -9.258 -3.249 275 2HG ARG 38 2HG ARG 38 6.685 -10.804 -4.013 276 1HD ARG 38 1HD ARG 38 4.027 -10.421 -2.715 277 2HD ARG 38 2HD ARG 38 4.322 -9.703 -4.298 278 HE ARG 38 HE ARG 38 3.850 -12.446 -3.738 279 1HH1 ARG 38 2HH1 ARG 38 5.660 -10.316 -5.814 280 2HH1 ARG 38 1HH1 ARG 38 5.761 -11.457 -7.114 281 1HH2 ARG 38 2HH2 ARG 38 3.977 -13.957 -5.443 282 2HH2 ARG 38 1HH2 ARG 38 4.802 -13.527 -6.902 283 H LEU 39 H LEU 39 8.159 -10.436 0.596 284 HA LEU 39 HA LEU 39 9.044 -7.854 0.172 285 1HB LEU 39 1HB LEU 39 9.398 -9.800 2.409 286 2HB LEU 39 2HB LEU 39 10.232 -8.249 2.463 287 HG LEU 39 HG LEU 39 8.108 -8.291 3.739 288 1HD1 LEU 39 1HD1 LEU 39 7.149 -6.294 2.140 289 2HD1 LEU 39 2HD1 LEU 39 8.840 -6.389 1.648 290 3HD1 LEU 39 3HD1 LEU 39 8.428 -6.116 3.341 291 1HD2 LEU 39 1HD2 LEU 39 6.008 -8.135 2.330 292 2HD2 LEU 39 2HD2 LEU 39 6.727 -9.738 2.490 293 3HD2 LEU 39 3HD2 LEU 39 6.962 -8.809 1.008 294 H LYS 40 H LYS 40 10.917 -10.839 0.362 295 HA LYS 40 HA LYS 40 13.485 -9.942 0.515 296 1HB LYS 40 1HB LYS 40 12.363 -12.156 -1.204 297 2HB LYS 40 2HB LYS 40 14.087 -11.894 -0.974 298 1HG LYS 40 1HG LYS 40 12.200 -12.325 1.322 299 2HG LYS 40 2HG LYS 40 13.001 -13.653 0.478 300 1HD LYS 40 1HD LYS 40 14.490 -11.335 1.696 301 2HD LYS 40 2HD LYS 40 14.149 -12.831 2.570 302 1HE LYS 40 1HE LYS 40 15.313 -14.076 0.755 303 2HE LYS 40 2HE LYS 40 15.757 -12.529 0.036 304 1HZ LYS 40 1HZ LYS 40 16.863 -11.991 2.185 305 2HZ LYS 40 2HZ LYS 40 17.576 -13.271 1.341 306 3HZ LYS 40 3HZ LYS 40 16.591 -13.586 2.679 307 H GLY 41 H GLY 41 11.528 -10.156 -2.450 308 1HA GLY 41 1HA GLY 41 13.521 -9.151 -4.185 309 2HA GLY 41 2HA GLY 41 11.795 -9.184 -4.513 310 H LEU 42 H LEU 42 10.547 -7.478 -3.148 311 HA LEU 42 HA LEU 42 11.103 -4.973 -4.056 312 1HB LEU 42 1HB LEU 42 9.744 -5.796 -1.500 313 2HB LEU 42 2HB LEU 42 9.767 -4.135 -2.088 314 HG LEU 42 HG LEU 42 8.577 -6.455 -3.604 315 1HD1 LEU 42 1HD1 LEU 42 6.419 -5.185 -2.954 316 2HD1 LEU 42 2HD1 LEU 42 7.395 -4.537 -1.637 317 3HD1 LEU 42 3HD1 LEU 42 7.158 -6.279 -1.784 318 1HD2 LEU 42 1HD2 LEU 42 8.719 -4.989 -5.285 319 2HD2 LEU 42 2HD2 LEU 42 9.094 -3.646 -4.205 320 3HD2 LEU 42 3HD2 LEU 42 7.417 -4.125 -4.467 321 H SER 43 H SER 43 12.343 -6.488 -1.129 322 HA SER 43 HA SER 43 13.464 -4.327 0.165 323 1HB SER 43 1HB SER 43 13.414 -6.703 0.989 324 2HB SER 43 2HB SER 43 14.776 -7.043 -0.078 325 HG SER 43 HG SER 43 15.771 -5.159 1.096 326 H LYS 44 H LYS 44 14.796 -6.219 -2.512 327 HA LYS 44 HA LYS 44 17.197 -4.597 -2.608 328 1HB LYS 44 1HB LYS 44 16.185 -6.974 -4.134 329 2HB LYS 44 2HB LYS 44 17.534 -6.033 -4.759 330 1HG LYS 44 1HG LYS 44 18.434 -7.866 -3.551 331 2HG LYS 44 2HG LYS 44 18.703 -6.414 -2.584 332 1HD LYS 44 1HD LYS 44 16.956 -6.971 -1.090 333 2HD LYS 44 2HD LYS 44 16.333 -8.221 -2.169 334 1HE LYS 44 1HE LYS 44 19.125 -8.446 -1.149 335 2HE LYS 44 2HE LYS 44 17.788 -8.843 -0.071 336 1HZ LYS 44 1HZ LYS 44 17.040 -10.513 -1.559 337 2HZ LYS 44 2HZ LYS 44 18.701 -10.755 -1.348 338 3HZ LYS 44 3HZ LYS 44 18.126 -10.035 -2.766 339 H GLN 45 H GLN 45 14.371 -5.200 -4.679 340 HA GLN 45 HA GLN 45 14.945 -3.614 -6.831 341 1HB GLN 45 1HB GLN 45 12.924 -4.978 -6.685 342 2HB GLN 45 2HB GLN 45 12.271 -3.909 -5.451 343 1HG GLN 45 1HG GLN 45 12.077 -2.113 -7.016 344 2HG GLN 45 2HG GLN 45 12.931 -3.035 -8.252 345 1HE2 GLN 45 1HE2 GLN 45 11.018 -2.525 -9.528 346 2HE2 GLN 45 2HE2 GLN 45 9.631 -3.547 -9.399 347 H LEU 46 H LEU 46 13.220 -2.525 -3.904 348 HA LEU 46 HA LEU 46 13.798 0.248 -4.659 349 1HB LEU 46 1HB LEU 46 11.956 -0.854 -2.541 350 2HB LEU 46 2HB LEU 46 12.148 0.850 -2.948 351 HG LEU 46 HG LEU 46 11.287 -1.048 -5.081 352 1HD1 LEU 46 1HD1 LEU 46 9.085 0.185 -3.618 353 2HD1 LEU 46 2HD1 LEU 46 9.944 -1.048 -2.696 354 3HD1 LEU 46 3HD1 LEU 46 9.247 -1.447 -4.266 355 1HD2 LEU 46 1HD2 LEU 46 10.006 1.562 -4.737 356 2HD2 LEU 46 2HD2 LEU 46 10.712 0.822 -6.174 357 3HD2 LEU 46 3HD2 LEU 46 11.748 1.638 -5.001 358 H ASP 47 H ASP 47 15.689 -1.757 -3.414 359 HA ASP 47 HA ASP 47 17.171 -1.925 -1.663 360 1HB ASP 47 1HB ASP 47 17.166 1.060 -2.160 361 2HB ASP 47 2HB ASP 47 18.428 0.176 -1.306 362 H TRP 48 H TRP 48 14.616 -2.018 -0.646 363 HA TRP 48 HA TRP 48 14.728 -0.295 1.737 364 1HB TRP 48 1HB TRP 48 12.493 -1.474 0.167 365 2HB TRP 48 2HB TRP 48 12.266 -1.326 1.907 366 HD1 TRP 48 HD TRP 48 14.302 1.375 0.196 367 HE1 TRP 48 1HE TRP 48 12.946 3.562 0.164 368 HE3 TRP 48 3HE TRP 48 9.801 -0.439 1.804 369 HZ2 TRP 48 2HZ TRP 48 10.316 4.407 0.745 370 HZ3 TRP 48 3HZ TRP 48 7.916 1.125 2.040 371 HH2 TRP 48 HH TRP 48 8.170 3.497 1.521 372 H SER 49 H SER 49 13.370 -1.545 3.594 373 HA SER 49 HA SER 49 14.807 -4.086 3.973 374 1HB SER 49 1HB SER 49 15.152 -2.026 5.545 375 2HB SER 49 2HB SER 49 13.606 -2.520 6.236 376 HG SER 49 HG SER 49 15.844 -4.239 5.942 377 H VAL 50 H VAL 50 13.722 -5.909 4.574 378 HA VAL 50 HA VAL 50 11.172 -6.404 3.767 379 HB VAL 50 HB VAL 50 12.644 -8.212 4.399 380 1HG1 VAL 50 1HG1 VAL 50 13.875 -8.027 6.239 381 2HG1 VAL 50 2HG1 VAL 50 12.861 -6.718 6.849 382 3HG1 VAL 50 3HG1 VAL 50 12.430 -8.396 7.180 383 1HG2 VAL 50 1HG2 VAL 50 10.279 -8.711 4.414 384 2HG2 VAL 50 2HG2 VAL 50 11.077 -9.599 5.713 385 3HG2 VAL 50 3HG2 VAL 50 10.140 -8.150 6.081 386 H ARG 51 H ARG 51 12.179 -4.912 6.755 387 HA ARG 51 HA ARG 51 9.555 -5.082 7.957 388 1HB ARG 51 1HB ARG 51 12.197 -3.930 8.765 389 2HB ARG 51 2HB ARG 51 10.740 -3.410 9.601 390 1HG ARG 51 1HG ARG 51 11.267 -6.324 9.287 391 2HG ARG 51 2HG ARG 51 12.158 -5.407 10.503 392 1HD ARG 51 1HD ARG 51 10.205 -4.831 11.662 393 2HD ARG 51 2HD ARG 51 9.169 -5.254 10.300 394 HE ARG 51 HE ARG 51 10.574 -7.533 11.202 395 1HH1 ARG 51 2HH1 ARG 51 7.957 -5.413 12.082 396 2HH1 ARG 51 1HH1 ARG 51 7.112 -6.620 12.993 397 1HH2 ARG 51 2HH2 ARG 51 9.471 -9.132 12.398 398 2HH2 ARG 51 1HH2 ARG 51 7.975 -8.735 13.173 399 H LYS 52 H LYS 52 11.638 -2.497 6.679 400 HA LYS 52 HA LYS 52 9.960 -0.336 7.082 401 1HB LYS 52 1HB LYS 52 12.328 -0.271 6.238 402 2HB LYS 52 2HB LYS 52 11.716 -0.734 4.656 403 1HG LYS 52 1HG LYS 52 10.455 1.297 4.483 404 2HG LYS 52 2HG LYS 52 10.863 1.740 6.142 405 1HD LYS 52 1HD LYS 52 13.136 2.095 5.588 406 2HD LYS 52 2HD LYS 52 12.951 1.308 4.018 407 1HE LYS 52 1HE LYS 52 13.041 3.672 3.661 408 2HE LYS 52 2HE LYS 52 11.388 3.136 3.365 409 1HZ LYS 52 1HZ LYS 52 12.352 4.387 5.880 410 2HZ LYS 52 2HZ LYS 52 10.760 3.924 5.545 411 3HZ LYS 52 3HZ LYS 52 11.476 5.182 4.670 412 H ILE 53 H ILE 53 10.095 -2.520 4.282 413 HA ILE 53 HA ILE 53 8.116 -1.276 2.747 414 HB ILE 53 HB ILE 53 8.812 -4.214 2.847 415 1HG1 ILE 53 1HG1 ILE 53 9.762 -2.254 0.780 416 2HG1 ILE 53 2HG1 ILE 53 10.616 -2.408 2.311 417 1HG2 ILE 53 1HG2 ILE 53 7.537 -4.573 1.006 418 2HG2 ILE 53 2HG2 ILE 53 6.616 -3.238 1.696 419 3HG2 ILE 53 3HG2 ILE 53 7.764 -2.936 0.392 420 1HD1 ILE 53 1HD1 ILE 53 11.784 -4.009 1.310 421 2HD1 ILE 53 2HD1 ILE 53 10.344 -5.013 1.486 422 3HD1 ILE 53 3HD1 ILE 53 10.630 -4.137 -0.018 423 H GLN 54 H GLN 54 7.813 -4.080 4.930 424 HA GLN 54 HA GLN 54 5.216 -4.725 4.767 425 1HB GLN 54 1HB GLN 54 6.992 -4.457 7.165 426 2HB GLN 54 2HB GLN 54 5.308 -4.921 7.373 427 1HG GLN 54 1HG GLN 54 6.931 -6.402 5.379 428 2HG GLN 54 2HG GLN 54 7.224 -6.707 7.090 429 1HE2 GLN 54 1HE2 GLN 54 6.329 -8.711 5.487 430 2HE2 GLN 54 2HE2 GLN 54 4.695 -9.104 5.885 431 H CYS 55 H CYS 55 6.459 -1.917 6.540 432 HA CYS 55 HA CYS 55 4.050 -1.018 7.618 433 1HB CYS 55 1HB CYS 55 6.381 -0.170 8.133 434 2HB CYS 55 2HB CYS 55 6.280 0.774 6.652 435 HG CYS 55 HG CYS 55 3.833 1.142 8.973 436 H TRP 56 H TRP 56 5.556 -0.287 4.493 437 HA TRP 56 HA TRP 56 3.735 1.617 3.591 438 1HB TRP 56 1HB TRP 56 5.910 1.021 2.498 439 2HB TRP 56 2HB TRP 56 5.144 -0.438 1.878 440 HD1 TRP 56 HD TRP 56 5.527 3.236 1.181 441 HE1 TRP 56 1HE TRP 56 4.253 3.844 -0.971 442 HE3 TRP 56 3HE TRP 56 2.932 -1.119 0.516 443 HZ2 TRP 56 2HZ TRP 56 2.394 2.637 -2.719 444 HZ3 TRP 56 3HZ TRP 56 1.426 -1.310 -1.420 445 HH2 TRP 56 HH TRP 56 1.164 0.530 -3.003 446 H PHE 57 H PHE 57 3.759 -1.880 2.878 447 HA PHE 57 HA PHE 57 1.425 -2.048 1.434 448 1HB PHE 57 1HB PHE 57 2.926 -3.936 3.176 449 2HB PHE 57 2HB PHE 57 1.291 -4.394 2.711 450 HD1 PHE 57 1HD PHE 57 4.714 -3.965 1.614 451 HD2 PHE 57 2HD PHE 57 0.723 -4.706 0.333 452 HE1 PHE 57 1HE PHE 57 5.561 -4.766 -0.553 453 HE2 PHE 57 2HE PHE 57 1.564 -5.509 -1.835 454 HZ PHE 57 HZ PHE 57 3.986 -5.540 -2.280 455 H ARG 58 H ARG 58 1.799 -2.218 4.961 456 HA ARG 58 HA ARG 58 -0.886 -2.671 5.598 457 1HB ARG 58 1HB ARG 58 0.657 -2.998 7.338 458 2HB ARG 58 2HB ARG 58 1.398 -1.422 7.097 459 1HG ARG 58 1HG ARG 58 -0.573 -0.329 7.994 460 2HG ARG 58 2HG ARG 58 -1.371 -1.892 8.182 461 1HD ARG 58 1HD ARG 58 1.228 -1.166 9.522 462 2HD ARG 58 2HD ARG 58 -0.352 -0.953 10.275 463 HE ARG 58 HE ARG 58 -0.513 -3.244 10.549 464 1HH1 ARG 58 2HH1 ARG 58 2.277 -2.439 8.629 465 2HH1 ARG 58 1HH1 ARG 58 2.967 -4.024 8.730 466 1HH2 ARG 58 2HH2 ARG 58 0.386 -5.336 10.690 467 2HH2 ARG 58 1HH2 ARG 58 1.891 -5.672 9.903 468 H HIS 59 H HIS 59 0.885 0.323 5.023 469 HA HIS 59 HA HIS 59 -1.177 2.088 5.822 470 1HB HIS 59 1HB HIS 59 1.271 2.660 5.505 471 2HB HIS 59 2HB HIS 59 0.962 2.672 3.772 472 HD1 HIS 59 1HD HIS 59 0.849 4.789 6.721 473 HD2 HIS 59 2HD HIS 59 -1.009 4.707 3.006 474 HE1 HIS 59 1HE HIS 59 -0.105 7.092 6.396 475 HE2 HIS 59 2HE HIS 59 -1.298 6.994 4.180 476 H ARG 60 H ARG 60 -0.256 0.740 2.676 477 HA ARG 60 HA ARG 60 -1.938 2.137 1.008 478 1HB ARG 60 1HB ARG 60 -0.284 0.516 0.208 479 2HB ARG 60 2HB ARG 60 -1.245 -0.802 0.864 480 1HG ARG 60 1HG ARG 60 -1.656 -0.737 -1.463 481 2HG ARG 60 2HG ARG 60 -3.095 -0.090 -0.672 482 1HD ARG 60 1HD ARG 60 -2.013 2.210 -1.036 483 2HD ARG 60 2HD ARG 60 -0.950 1.378 -2.170 484 HE ARG 60 HE ARG 60 -3.376 0.629 -3.029 485 1HH1 ARG 60 2HH1 ARG 60 -2.062 3.745 -2.204 486 2HH1 ARG 60 1HH1 ARG 60 -3.061 4.609 -3.325 487 1HH2 ARG 60 2HH2 ARG 60 -4.697 1.755 -4.509 488 2HH2 ARG 60 1HH2 ARG 60 -4.560 3.476 -4.635 489 H ARG 61 H ARG 61 -2.692 -0.922 2.680 490 HA ARG 61 HA ARG 61 -5.254 -1.349 1.865 491 1HB ARG 61 1HB ARG 61 -3.936 -1.777 4.530 492 2HB ARG 61 2HB ARG 61 -5.626 -2.200 4.288 493 1HG ARG 61 1HG ARG 61 -5.138 -3.945 2.902 494 2HG ARG 61 2HG ARG 61 -3.633 -3.217 2.336 495 1HD ARG 61 1HD ARG 61 -3.041 -5.081 3.687 496 2HD ARG 61 2HD ARG 61 -2.689 -3.630 4.624 497 HE ARG 61 HE ARG 61 -5.296 -4.672 5.159 498 1HH1 ARG 61 2HH1 ARG 61 -1.913 -5.015 5.905 499 2HH1 ARG 61 1HH1 ARG 61 -2.194 -5.725 7.460 500 1HH2 ARG 61 2HH2 ARG 61 -5.680 -5.605 7.205 501 2HH2 ARG 61 1HH2 ARG 61 -4.337 -6.061 8.198 502 H ASN 62 H ASN 62 -4.398 0.543 4.770 503 HA ASN 62 HA ASN 62 -6.887 1.440 5.479 504 1HB ASN 62 1HB ASN 62 -4.375 3.123 5.567 505 2HB ASN 62 2HB ASN 62 -5.797 3.294 6.592 506 1HD2 ASN 62 1HD2 ASN 62 -6.380 0.977 7.567 507 2HD2 ASN 62 2HD2 ASN 62 -5.056 0.240 8.397 508 H GLN 63 H GLN 63 -4.681 2.917 3.121 509 HA GLN 63 HA GLN 63 -6.128 5.179 2.481 510 1HB GLN 63 1HB GLN 63 -4.526 3.448 0.590 511 2HB GLN 63 2HB GLN 63 -4.993 5.119 0.302 512 1HG GLN 63 1HG GLN 63 -3.264 4.229 2.597 513 2HG GLN 63 2HG GLN 63 -2.641 4.804 1.051 514 1HE2 GLN 63 1HE2 GLN 63 -3.003 6.981 0.461 515 2HE2 GLN 63 2HE2 GLN 63 -3.325 8.186 1.656 516 H ASP 64 H ASP 64 -6.504 1.889 1.246 517 HA ASP 64 HA ASP 64 -8.184 2.116 -0.839 518 1HB ASP 64 1HB ASP 64 -8.861 -0.047 -0.442 519 2HB ASP 64 2HB ASP 64 -7.448 0.027 0.608 520 H LYS 65 H LYS 65 -8.971 2.844 2.489 521 HA LYS 65 HA LYS 65 -11.635 3.749 1.608 522 1HB LYS 65 1HB LYS 65 -10.777 2.247 4.031 523 2HB LYS 65 2HB LYS 65 -12.054 3.441 4.227 524 1HG LYS 65 1HG LYS 65 -13.279 2.297 2.362 525 2HG LYS 65 2HG LYS 65 -12.062 1.022 2.442 526 1HD LYS 65 1HD LYS 65 -13.606 1.887 4.869 527 2HD LYS 65 2HD LYS 65 -14.240 0.679 3.749 528 1HE LYS 65 1HE LYS 65 -13.158 -0.545 5.443 529 2HE LYS 65 2HE LYS 65 -12.046 -0.557 4.075 530 1HZ LYS 65 1HZ LYS 65 -10.507 0.442 5.292 531 2HZ LYS 65 2HZ LYS 65 -11.498 0.255 6.649 532 3HZ LYS 65 3HZ LYS 65 -11.562 1.684 5.746 533 HA PRO 66 HA PRO 66 -9.316 7.476 2.995 534 1HB PRO 66 1HB PRO 66 -10.431 9.117 1.142 535 2HB PRO 66 2HB PRO 66 -9.014 8.114 0.808 536 1HG PRO 66 1HG PRO 66 -11.888 7.620 0.130 537 2HG PRO 66 2HG PRO 66 -10.444 7.367 -0.867 538 1HD PRO 66 1HD PRO 66 -11.693 5.343 0.426 539 2HD PRO 66 2HD PRO 66 -9.940 5.360 0.148 540 H SER 67 H SER 67 -10.043 8.946 4.434 541 HA SER 67 HA SER 67 -12.959 9.307 4.671 542 1HB SER 67 1HB SER 67 -12.806 9.271 7.043 543 2HB SER 67 2HB SER 67 -11.851 7.897 6.487 544 HG SER 67 HG SER 67 -10.956 9.489 8.140 545 H GLY 68 H GLY 68 -13.701 11.349 5.368 546 1HA GLY 68 1HA GLY 68 -11.677 13.498 5.232 547 2HA GLY 68 2HA GLY 68 -13.212 13.617 4.385 548 HA PRO 69 HA PRO 69 -14.227 13.884 9.115 549 1HB PRO 69 1HB PRO 69 -12.106 14.197 10.781 550 2HB PRO 69 2HB PRO 69 -12.758 12.613 10.343 551 1HG PRO 69 1HG PRO 69 -10.380 14.055 9.234 552 2HG PRO 69 2HG PRO 69 -10.549 12.344 9.666 553 1HD PRO 69 1HD PRO 69 -10.713 13.224 7.111 554 2HD PRO 69 2HD PRO 69 -11.633 11.825 7.699 555 H SER 70 H SER 70 -12.299 15.756 7.173 556 HA SER 70 HA SER 70 -11.519 17.994 8.467 557 1HB SER 70 1HB SER 70 -12.066 19.277 6.433 558 2HB SER 70 2HB SER 70 -11.331 17.724 6.036 559 HG SER 70 HG SER 70 -13.466 16.929 5.668 560 H SER 71 H SER 71 -12.418 19.380 9.827 561 HA SER 71 HA SER 71 -14.838 19.355 10.946 562 1HB SER 71 1HB SER 71 -14.640 21.821 11.322 563 2HB SER 71 2HB SER 71 -13.161 20.932 11.686 564 HG SER 71 HG SER 71 -13.641 22.182 9.190 565 H GLY 72 H GLY 72 -16.866 20.394 10.675 566 1HA GLY 72 1HA GLY 72 -17.449 21.540 8.050 567 2HA GLY 72 2HA GLY 72 -18.296 20.061 8.479 Start of MODEL 4 1 1H GLY 1 H GLY 1 14.374 12.602 16.262 2 1HA GLY 1 1HA GLY 1 16.139 14.659 15.678 3 2HA GLY 1 2HA GLY 1 15.009 14.592 14.333 4 H SER 2 H SER 2 14.583 16.825 15.150 5 HA SER 2 HA SER 2 12.766 16.829 17.461 6 1HB SER 2 1HB SER 2 14.776 18.402 17.387 7 2HB SER 2 2HB SER 2 13.923 19.267 16.108 8 HG SER 2 HG SER 2 12.126 19.322 17.717 9 H SER 3 H SER 3 10.773 16.359 16.732 10 HA SER 3 HA SER 3 9.814 17.384 14.203 11 1HB SER 3 1HB SER 3 9.229 15.098 15.038 12 2HB SER 3 2HB SER 3 8.286 15.854 16.321 13 HG SER 3 HG SER 3 7.568 15.356 13.799 14 H GLY 4 H GLY 4 7.533 18.354 14.193 15 1HA GLY 4 1HA GLY 4 7.223 20.248 16.433 16 2HA GLY 4 2HA GLY 4 7.198 20.814 14.770 17 H SER 5 H SER 5 5.502 19.884 13.356 18 HA SER 5 HA SER 5 2.981 19.857 14.796 19 1HB SER 5 1HB SER 5 3.822 20.276 11.970 20 2HB SER 5 2HB SER 5 2.194 19.657 12.247 21 HG SER 5 HG SER 5 1.707 21.468 13.417 22 H SER 6 H SER 6 2.185 18.006 15.517 23 HA SER 6 HA SER 6 2.698 15.549 13.975 24 1HB SER 6 1HB SER 6 2.200 14.362 16.141 25 2HB SER 6 2HB SER 6 3.648 15.367 16.176 26 HG SER 6 HG SER 6 2.761 16.349 17.794 27 H GLY 7 H GLY 7 1.029 14.429 13.160 28 1HA GLY 7 1HA GLY 7 -1.196 13.584 13.194 29 2HA GLY 7 2HA GLY 7 -1.673 14.962 14.175 30 H GLY 8 H GLY 8 -3.452 14.932 12.522 31 1HA GLY 8 1HA GLY 8 -2.649 16.640 10.253 32 2HA GLY 8 2HA GLY 8 -3.751 15.291 10.016 33 H ILE 9 H ILE 9 -3.357 18.458 11.468 34 HA ILE 9 HA ILE 9 -6.046 18.627 12.437 35 HB ILE 9 HB ILE 9 -5.533 21.065 12.699 36 1HG1 ILE 9 1HG1 ILE 9 -2.736 20.300 11.861 37 2HG1 ILE 9 2HG1 ILE 9 -3.881 21.071 10.769 38 1HG2 ILE 9 1HG2 ILE 9 -3.923 18.878 13.914 39 2HG2 ILE 9 2HG2 ILE 9 -3.516 20.547 14.309 40 3HG2 ILE 9 3HG2 ILE 9 -5.134 19.932 14.646 41 1HD1 ILE 9 1HD1 ILE 9 -3.170 23.024 11.517 42 2HD1 ILE 9 2HD1 ILE 9 -3.870 22.632 13.088 43 3HD1 ILE 9 3HD1 ILE 9 -2.183 22.243 12.752 44 H LYS 10 H LYS 10 -4.601 18.963 9.384 45 HA LYS 10 HA LYS 10 -7.080 20.141 8.331 46 1HB LYS 10 1HB LYS 10 -4.246 20.923 7.677 47 2HB LYS 10 2HB LYS 10 -5.574 21.246 6.570 48 1HG LYS 10 1HG LYS 10 -5.860 22.134 9.388 49 2HG LYS 10 2HG LYS 10 -4.764 23.030 8.334 50 1HD LYS 10 1HD LYS 10 -6.736 24.161 7.981 51 2HD LYS 10 2HD LYS 10 -6.797 22.969 6.680 52 1HE LYS 10 1HE LYS 10 -8.434 21.727 7.713 53 2HE LYS 10 2HE LYS 10 -7.987 22.282 9.325 54 1HZ LYS 10 1HZ LYS 10 -9.650 23.614 7.300 55 2HZ LYS 10 2HZ LYS 10 -8.808 24.555 8.425 56 3HZ LYS 10 3HZ LYS 10 -9.934 23.410 8.955 57 H ASP 11 H ASP 11 -7.782 19.343 6.368 58 HA ASP 11 HA ASP 11 -7.119 16.704 5.720 59 1HB ASP 11 1HB ASP 11 -8.341 18.558 3.700 60 2HB ASP 11 2HB ASP 11 -8.698 16.861 4.008 61 H SER 12 H SER 12 -4.898 16.511 5.407 62 HA SER 12 HA SER 12 -3.220 18.035 3.871 63 1HB SER 12 1HB SER 12 -3.158 15.013 4.054 64 2HB SER 12 2HB SER 12 -1.801 16.062 3.644 65 HG SER 12 HG SER 12 -2.146 15.268 5.949 66 HA PRO 13 HA PRO 13 -4.552 17.659 -0.305 67 1HB PRO 13 1HB PRO 13 -2.212 18.217 -1.562 68 2HB PRO 13 2HB PRO 13 -3.182 19.449 -0.746 69 1HG PRO 13 1HG PRO 13 -0.753 17.998 0.231 70 2HG PRO 13 2HG PRO 13 -1.161 19.718 0.374 71 1HD PRO 13 1HD PRO 13 -1.499 17.966 2.411 72 2HD PRO 13 2HD PRO 13 -2.565 19.364 2.167 73 H VAL 14 H VAL 14 -4.075 16.483 -2.323 74 HA VAL 14 HA VAL 14 -3.618 13.749 -1.867 75 HB VAL 14 HB VAL 14 -3.659 13.488 -4.303 76 1HG1 VAL 14 1HG1 VAL 14 -5.680 14.871 -2.744 77 2HG1 VAL 14 2HG1 VAL 14 -5.824 15.195 -4.472 78 3HG1 VAL 14 3HG1 VAL 14 -5.848 13.533 -3.880 79 1HG2 VAL 14 1HG2 VAL 14 -4.134 15.730 -5.564 80 2HG2 VAL 14 2HG2 VAL 14 -3.231 16.441 -4.226 81 3HG2 VAL 14 3HG2 VAL 14 -2.475 15.220 -5.251 82 H ASN 15 H ASN 15 -1.762 12.756 -1.474 83 HA ASN 15 HA ASN 15 0.631 13.568 -2.960 84 1HB ASN 15 1HB ASN 15 0.399 13.282 0.033 85 2HB ASN 15 2HB ASN 15 1.946 13.164 -0.800 86 1HD2 ASN 15 1HD2 ASN 15 0.825 15.132 1.135 87 2HD2 ASN 15 2HD2 ASN 15 1.039 16.670 0.377 88 H LYS 16 H LYS 16 2.466 11.874 -2.311 89 HA LYS 16 HA LYS 16 1.242 9.218 -2.653 90 1HB LYS 16 1HB LYS 16 3.703 10.488 -3.772 91 2HB LYS 16 2HB LYS 16 3.696 8.746 -3.524 92 1HG LYS 16 1HG LYS 16 1.606 8.643 -4.891 93 2HG LYS 16 2HG LYS 16 1.839 10.353 -5.262 94 1HD LYS 16 1HD LYS 16 4.004 9.854 -6.265 95 2HD LYS 16 2HD LYS 16 3.810 8.146 -5.860 96 1HE LYS 16 1HE LYS 16 1.711 8.174 -7.254 97 2HE LYS 16 2HE LYS 16 2.186 9.782 -7.798 98 1HZ LYS 16 1HZ LYS 16 2.847 7.845 -9.254 99 2HZ LYS 16 2HZ LYS 16 3.977 7.442 -8.062 100 3HZ LYS 16 3HZ LYS 16 4.079 8.933 -8.854 101 H VAL 17 H VAL 17 1.290 8.048 -0.856 102 HA VAL 17 HA VAL 17 2.483 8.449 1.505 103 HB VAL 17 HB VAL 17 2.499 6.034 1.919 104 1HG1 VAL 17 1HG1 VAL 17 0.140 7.067 0.354 105 2HG1 VAL 17 2HG1 VAL 17 0.122 5.577 1.299 106 3HG1 VAL 17 3HG1 VAL 17 0.381 7.127 2.100 107 1HG2 VAL 17 1HG2 VAL 17 1.747 4.543 0.010 108 2HG2 VAL 17 2HG2 VAL 17 2.174 5.873 -1.067 109 3HG2 VAL 17 3HG2 VAL 17 3.411 5.123 -0.058 110 H GLU 18 H GLU 18 4.030 6.630 -1.142 111 HA GLU 18 HA GLU 18 6.616 7.650 -0.456 112 1HB GLU 18 1HB GLU 18 5.795 4.927 0.415 113 2HB GLU 18 2HB GLU 18 7.412 5.106 -0.253 114 1HG GLU 18 1HG GLU 18 6.249 6.392 2.190 115 2HG GLU 18 2HG GLU 18 7.662 5.347 2.060 116 HA PRO 19 HA PRO 19 7.476 6.715 -4.653 117 1HB PRO 19 1HB PRO 19 10.115 6.081 -4.594 118 2HB PRO 19 2HB PRO 19 9.518 7.729 -4.367 119 1HG PRO 19 1HG PRO 19 10.373 5.725 -2.315 120 2HG PRO 19 2HG PRO 19 10.725 7.461 -2.398 121 1HD PRO 19 1HD PRO 19 8.804 6.440 -0.786 122 2HD PRO 19 2HD PRO 19 8.673 8.047 -1.528 123 H ASN 20 H ASN 20 7.301 4.331 -2.392 124 HA ASN 20 HA ASN 20 8.353 2.158 -3.988 125 1HB ASN 20 1HB ASN 20 7.185 2.447 -1.266 126 2HB ASN 20 2HB ASN 20 7.043 0.872 -2.041 127 1HD2 ASN 20 1HD2 ASN 20 9.623 3.286 -2.185 128 2HD2 ASN 20 2HD2 ASN 20 10.862 2.253 -1.564 129 H ASP 21 H ASP 21 6.140 3.831 -5.018 130 HA ASP 21 HA ASP 21 3.636 2.784 -4.936 131 1HB ASP 21 1HB ASP 21 4.208 4.719 -6.310 132 2HB ASP 21 2HB ASP 21 5.115 3.690 -7.415 133 H THR 22 H THR 22 6.409 1.455 -6.655 134 HA THR 22 HA THR 22 5.429 -0.407 -8.313 135 HB THR 22 HB THR 22 7.674 -0.688 -6.328 136 HG1 THR 22 1HG THR 22 8.900 -0.214 -8.083 137 1HG2 THR 22 1HG2 THR 22 6.876 -2.941 -6.687 138 2HG2 THR 22 2HG2 THR 22 8.373 -2.709 -7.590 139 3HG2 THR 22 3HG2 THR 22 6.822 -2.682 -8.430 140 H LEU 23 H LEU 23 5.197 -0.505 -4.822 141 HA LEU 23 HA LEU 23 4.329 -3.199 -4.608 142 1HB LEU 23 1HB LEU 23 4.163 -0.807 -2.807 143 2HB LEU 23 2HB LEU 23 3.400 -2.334 -2.371 144 HG LEU 23 HG LEU 23 5.447 -3.420 -2.105 145 1HD1 LEU 23 1HD1 LEU 23 7.596 -2.466 -2.847 146 2HD1 LEU 23 2HD1 LEU 23 6.720 -1.135 -3.602 147 3HD1 LEU 23 3HD1 LEU 23 6.491 -2.783 -4.185 148 1HD2 LEU 23 1HD2 LEU 23 4.987 -0.986 -0.779 149 2HD2 LEU 23 2HD2 LEU 23 6.714 -1.041 -1.134 150 3HD2 LEU 23 3HD2 LEU 23 5.956 -2.353 -0.228 151 H GLU 24 H GLU 24 2.590 -0.100 -4.692 152 HA GLU 24 HA GLU 24 0.030 -0.746 -4.252 153 1HB GLU 24 1HB GLU 24 0.874 1.474 -5.049 154 2HB GLU 24 2HB GLU 24 0.875 0.832 -6.686 155 1HG GLU 24 1HG GLU 24 -1.629 0.699 -5.083 156 2HG GLU 24 2HG GLU 24 -1.139 2.237 -5.792 157 H LYS 25 H LYS 25 1.799 -1.520 -7.213 158 HA LYS 25 HA LYS 25 -0.399 -2.661 -8.591 159 1HB LYS 25 1HB LYS 25 2.585 -2.853 -8.916 160 2HB LYS 25 2HB LYS 25 1.496 -3.797 -9.925 161 1HG LYS 25 1HG LYS 25 0.592 -1.893 -10.934 162 2HG LYS 25 2HG LYS 25 1.219 -0.823 -9.678 163 1HD LYS 25 1HD LYS 25 3.540 -1.716 -10.512 164 2HD LYS 25 2HD LYS 25 2.635 -2.091 -11.980 165 1HE LYS 25 1HE LYS 25 2.665 0.622 -10.667 166 2HE LYS 25 2HE LYS 25 3.755 0.151 -11.971 167 1HZ LYS 25 1HZ LYS 25 1.803 1.360 -12.774 168 2HZ LYS 25 2HZ LYS 25 0.791 0.157 -12.151 169 3HZ LYS 25 3HZ LYS 25 1.868 -0.208 -13.404 170 H VAL 26 H VAL 26 2.469 -4.362 -7.324 171 HA VAL 26 HA VAL 26 1.590 -6.931 -7.459 172 HB VAL 26 HB VAL 26 3.797 -5.833 -6.426 173 1HG1 VAL 26 1HG1 VAL 26 3.978 -6.064 -4.082 174 2HG1 VAL 26 2HG1 VAL 26 2.477 -5.180 -4.366 175 3HG1 VAL 26 3HG1 VAL 26 2.428 -6.898 -3.968 176 1HG2 VAL 26 1HG2 VAL 26 2.998 -8.325 -7.036 177 2HG2 VAL 26 2HG2 VAL 26 4.560 -7.959 -6.304 178 3HG2 VAL 26 3HG2 VAL 26 3.218 -8.498 -5.295 179 H PHE 27 H PHE 27 0.743 -4.542 -5.018 180 HA PHE 27 HA PHE 27 -0.460 -6.129 -3.109 181 1HB PHE 27 1HB PHE 27 -0.176 -3.773 -2.721 182 2HB PHE 27 2HB PHE 27 -1.225 -3.372 -4.077 183 HD1 PHE 27 1HD PHE 27 -1.054 -3.693 -0.605 184 HD2 PHE 27 2HD PHE 27 -3.663 -4.377 -3.898 185 HE1 PHE 27 1HE PHE 27 -2.986 -3.628 0.917 186 HE2 PHE 27 2HE PHE 27 -5.599 -4.312 -2.382 187 HZ PHE 27 HZ PHE 27 -5.263 -3.937 0.029 188 H VAL 28 H VAL 28 -1.916 -4.768 -6.048 189 HA VAL 28 HA VAL 28 -4.252 -6.508 -5.634 190 HB VAL 28 HB VAL 28 -4.868 -4.188 -5.869 191 1HG1 VAL 28 1HG1 VAL 28 -2.803 -4.214 -7.901 192 2HG1 VAL 28 2HG1 VAL 28 -4.292 -3.464 -8.479 193 3HG1 VAL 28 3HG1 VAL 28 -3.504 -2.856 -7.023 194 1HG2 VAL 28 1HG2 VAL 28 -6.596 -4.514 -7.313 195 2HG2 VAL 28 2HG2 VAL 28 -5.564 -5.188 -8.574 196 3HG2 VAL 28 3HG2 VAL 28 -6.031 -6.180 -7.192 197 H SER 29 H SER 29 -1.409 -6.757 -7.062 198 HA SER 29 HA SER 29 -2.400 -7.853 -9.598 199 1HB SER 29 1HB SER 29 -0.356 -6.194 -9.313 200 2HB SER 29 2HB SER 29 0.517 -7.686 -8.962 201 HG SER 29 HG SER 29 0.643 -7.409 -11.140 202 H VAL 30 H VAL 30 -0.293 -8.694 -6.861 203 HA VAL 30 HA VAL 30 -0.611 -11.533 -7.575 204 HB VAL 30 HB VAL 30 1.426 -12.025 -6.522 205 1HG1 VAL 30 1HG1 VAL 30 1.916 -11.034 -8.599 206 2HG1 VAL 30 2HG1 VAL 30 1.604 -9.408 -7.988 207 3HG1 VAL 30 3HG1 VAL 30 3.034 -10.293 -7.454 208 1HG2 VAL 30 1HG2 VAL 30 2.666 -10.404 -5.133 209 2HG2 VAL 30 2HG2 VAL 30 1.320 -9.275 -5.284 210 3HG2 VAL 30 3HG2 VAL 30 1.091 -10.814 -4.454 211 H THR 31 H THR 31 -0.555 -9.301 -4.814 212 HA THR 31 HA THR 31 -2.751 -10.507 -3.531 213 HB THR 31 HB THR 31 -1.122 -12.329 -3.115 214 HG1 THR 31 1HG THR 31 -2.342 -10.838 -1.092 215 1HG2 THR 31 1HG2 THR 31 0.399 -11.018 -1.054 216 2HG2 THR 31 2HG2 THR 31 0.641 -10.207 -2.601 217 3HG2 THR 31 3HG2 THR 31 0.968 -11.933 -2.450 218 H LYS 32 H LYS 32 -3.436 -9.346 -1.732 219 HA LYS 32 HA LYS 32 -2.373 -6.696 -1.509 220 1HB LYS 32 1HB LYS 32 -4.436 -7.940 0.303 221 2HB LYS 32 2HB LYS 32 -4.220 -6.238 -0.085 222 1HG LYS 32 1HG LYS 32 -5.147 -6.477 -2.208 223 2HG LYS 32 2HG LYS 32 -4.930 -8.229 -2.206 224 1HD LYS 32 1HD LYS 32 -7.259 -7.755 -1.883 225 2HD LYS 32 2HD LYS 32 -6.602 -8.369 -0.364 226 1HE LYS 32 1HE LYS 32 -6.333 -5.997 0.381 227 2HE LYS 32 2HE LYS 32 -7.191 -5.499 -1.077 228 1HZ LYS 32 1HZ LYS 32 -8.264 -7.218 1.094 229 2HZ LYS 32 2HZ LYS 32 -9.086 -6.846 -0.336 230 3HZ LYS 32 3HZ LYS 32 -8.709 -5.619 0.766 231 H TYR 33 H TYR 33 -2.215 -9.636 0.387 232 HA TYR 33 HA TYR 33 -0.436 -8.251 2.286 233 1HB TYR 33 1HB TYR 33 -2.610 -10.234 2.721 234 2HB TYR 33 2HB TYR 33 -1.178 -10.373 3.735 235 HD1 TYR 33 1HD TYR 33 -1.749 -9.594 5.841 236 HD2 TYR 33 2HD TYR 33 -2.974 -7.373 2.426 237 HE1 TYR 33 1HE TYR 33 -2.615 -7.823 7.312 238 HE2 TYR 33 2HE TYR 33 -3.842 -5.595 3.887 239 HH TYR 33 HH TYR 33 -3.849 -5.946 7.403 240 HA PRO 34 HA PRO 34 2.133 -11.363 0.076 241 1HB PRO 34 1HB PRO 34 4.375 -9.832 0.094 242 2HB PRO 34 2HB PRO 34 3.123 -9.687 -1.146 243 1HG PRO 34 1HG PRO 34 3.582 -8.006 1.288 244 2HG PRO 34 2HG PRO 34 3.170 -7.499 -0.361 245 1HD PRO 34 1HD PRO 34 1.329 -7.653 1.618 246 2HD PRO 34 2HD PRO 34 0.932 -7.972 -0.082 247 H ASP 35 H ASP 35 4.255 -12.306 0.755 248 HA ASP 35 HA ASP 35 4.574 -12.160 3.682 249 1HB ASP 35 1HB ASP 35 4.678 -14.535 1.828 250 2HB ASP 35 2HB ASP 35 5.382 -14.580 3.442 251 H GLU 36 H GLU 36 6.734 -12.738 4.481 252 HA GLU 36 HA GLU 36 8.756 -11.196 3.660 253 1HB GLU 36 1HB GLU 36 8.786 -12.715 5.648 254 2HB GLU 36 2HB GLU 36 9.199 -14.042 4.572 255 1HG GLU 36 1HG GLU 36 11.276 -13.472 5.280 256 2HG GLU 36 2HG GLU 36 11.151 -12.416 3.874 257 H LYS 37 H LYS 37 8.384 -14.558 2.530 258 HA LYS 37 HA LYS 37 10.407 -14.926 0.839 259 1HB LYS 37 1HB LYS 37 7.495 -15.546 0.483 260 2HB LYS 37 2HB LYS 37 8.636 -15.944 -0.795 261 1HG LYS 37 1HG LYS 37 9.958 -17.099 1.134 262 2HG LYS 37 2HG LYS 37 8.393 -17.079 1.950 263 1HD LYS 37 1HD LYS 37 7.423 -18.183 -0.081 264 2HD LYS 37 2HD LYS 37 9.068 -18.357 -0.697 265 1HE LYS 37 1HE LYS 37 9.603 -19.559 1.466 266 2HE LYS 37 2HE LYS 37 7.867 -19.589 1.773 267 1HZ LYS 37 1HZ LYS 37 7.676 -21.342 0.460 268 2HZ LYS 37 2HZ LYS 37 9.353 -21.367 0.241 269 3HZ LYS 37 3HZ LYS 37 8.372 -20.511 -0.839 270 H ARG 38 H ARG 38 7.556 -12.963 0.035 271 HA ARG 38 HA ARG 38 8.588 -12.193 -2.525 272 1HB ARG 38 1HB ARG 38 6.113 -12.292 -1.663 273 2HB ARG 38 2HB ARG 38 6.447 -10.660 -1.100 274 1HG ARG 38 1HG ARG 38 7.017 -9.986 -3.375 275 2HG ARG 38 2HG ARG 38 6.694 -11.626 -3.942 276 1HD ARG 38 1HD ARG 38 4.576 -10.181 -2.425 277 2HD ARG 38 2HD ARG 38 4.866 -9.740 -4.107 278 HE ARG 38 HE ARG 38 4.021 -11.787 -4.772 279 1HH1 ARG 38 2HH1 ARG 38 4.354 -11.675 -1.309 280 2HH1 ARG 38 1HH1 ARG 38 3.426 -13.114 -1.042 281 1HH2 ARG 38 2HH2 ARG 38 2.797 -13.682 -4.435 282 2HH2 ARG 38 1HH2 ARG 38 2.542 -14.255 -2.821 283 H LEU 39 H LEU 39 8.248 -10.588 0.624 284 HA LEU 39 HA LEU 39 9.113 -8.061 0.038 285 1HB LEU 39 1HB LEU 39 9.507 -9.804 2.438 286 2HB LEU 39 2HB LEU 39 10.220 -8.193 2.381 287 HG LEU 39 HG LEU 39 8.128 -8.159 3.605 288 1HD1 LEU 39 1HD1 LEU 39 8.877 -6.350 1.829 289 2HD1 LEU 39 2HD1 LEU 39 7.349 -6.220 2.699 290 3HD1 LEU 39 3HD1 LEU 39 7.375 -6.846 1.050 291 1HD2 LEU 39 1HD2 LEU 39 6.844 -9.132 1.054 292 2HD2 LEU 39 2HD2 LEU 39 6.013 -8.694 2.547 293 3HD2 LEU 39 3HD2 LEU 39 7.081 -10.097 2.511 294 H LYS 40 H LYS 40 11.060 -10.966 0.422 295 HA LYS 40 HA LYS 40 13.601 -9.972 0.616 296 1HB LYS 40 1HB LYS 40 12.629 -12.313 -1.030 297 2HB LYS 40 2HB LYS 40 14.324 -11.990 -0.688 298 1HG LYS 40 1HG LYS 40 13.535 -12.012 1.797 299 2HG LYS 40 2HG LYS 40 12.163 -12.912 1.146 300 1HD LYS 40 1HD LYS 40 13.692 -14.573 1.748 301 2HD LYS 40 2HD LYS 40 13.927 -14.391 0.008 302 1HE LYS 40 1HE LYS 40 15.852 -12.933 0.430 303 2HE LYS 40 2HE LYS 40 15.617 -13.129 2.166 304 1HZ LYS 40 1HZ LYS 40 16.430 -15.231 2.135 305 2HZ LYS 40 2HZ LYS 40 17.294 -14.620 0.815 306 3HZ LYS 40 3HZ LYS 40 15.905 -15.552 0.559 307 H GLY 41 H GLY 41 11.639 -10.271 -2.320 308 1HA GLY 41 1HA GLY 41 13.671 -9.386 -4.101 309 2HA GLY 41 2HA GLY 41 11.948 -9.447 -4.444 310 H LEU 42 H LEU 42 10.673 -7.683 -3.189 311 HA LEU 42 HA LEU 42 11.242 -5.220 -4.209 312 1HB LEU 42 1HB LEU 42 9.823 -5.910 -1.645 313 2HB LEU 42 2HB LEU 42 9.837 -4.292 -2.346 314 HG LEU 42 HG LEU 42 8.718 -6.729 -3.727 315 1HD1 LEU 42 1HD1 LEU 42 6.528 -5.440 -3.218 316 2HD1 LEU 42 2HD1 LEU 42 7.465 -4.708 -1.917 317 3HD1 LEU 42 3HD1 LEU 42 7.245 -6.457 -1.968 318 1HD2 LEU 42 1HD2 LEU 42 8.460 -3.786 -4.334 319 2HD2 LEU 42 2HD2 LEU 42 7.711 -5.107 -5.232 320 3HD2 LEU 42 3HD2 LEU 42 9.467 -4.933 -5.218 321 H SER 43 H SER 43 12.264 -6.492 -1.065 322 HA SER 43 HA SER 43 13.354 -4.348 0.168 323 1HB SER 43 1HB SER 43 13.425 -6.681 1.033 324 2HB SER 43 2HB SER 43 14.751 -7.023 -0.078 325 HG SER 43 HG SER 43 15.963 -5.411 0.998 326 H LYS 44 H LYS 44 14.860 -6.183 -2.462 327 HA LYS 44 HA LYS 44 17.155 -4.421 -2.531 328 1HB LYS 44 1HB LYS 44 16.976 -6.995 -3.117 329 2HB LYS 44 2HB LYS 44 16.563 -6.376 -4.711 330 1HG LYS 44 1HG LYS 44 18.985 -5.310 -3.353 331 2HG LYS 44 2HG LYS 44 19.044 -6.925 -4.062 332 1HD LYS 44 1HD LYS 44 18.045 -5.778 -6.157 333 2HD LYS 44 2HD LYS 44 18.606 -4.283 -5.406 334 1HE LYS 44 1HE LYS 44 20.877 -5.289 -5.254 335 2HE LYS 44 2HE LYS 44 20.276 -6.679 -6.157 336 1HZ LYS 44 1HZ LYS 44 21.413 -4.577 -7.305 337 2HZ LYS 44 2HZ LYS 44 19.799 -4.072 -7.351 338 3HZ LYS 44 3HZ LYS 44 20.250 -5.532 -8.079 339 H GLN 45 H GLN 45 14.397 -5.175 -4.642 340 HA GLN 45 HA GLN 45 14.886 -3.615 -6.811 341 1HB GLN 45 1HB GLN 45 12.833 -5.041 -6.309 342 2HB GLN 45 2HB GLN 45 12.184 -3.635 -5.476 343 1HG GLN 45 1HG GLN 45 12.082 -2.376 -7.458 344 2HG GLN 45 2HG GLN 45 13.096 -3.524 -8.331 345 1HE2 GLN 45 1HE2 GLN 45 10.459 -2.517 -9.009 346 2HE2 GLN 45 2HE2 GLN 45 9.429 -3.898 -9.134 347 H LEU 46 H LEU 46 13.096 -2.446 -3.951 348 HA LEU 46 HA LEU 46 13.710 0.302 -4.754 349 1HB LEU 46 1HB LEU 46 11.832 -0.734 -2.635 350 2HB LEU 46 2HB LEU 46 12.025 0.954 -3.105 351 HG LEU 46 HG LEU 46 11.208 -1.028 -5.177 352 1HD1 LEU 46 1HD1 LEU 46 9.025 0.270 -3.686 353 2HD1 LEU 46 2HD1 LEU 46 9.835 -1.063 -2.864 354 3HD1 LEU 46 3HD1 LEU 46 9.099 -1.320 -4.446 355 1HD2 LEU 46 1HD2 LEU 46 10.966 0.839 -6.348 356 2HD2 LEU 46 2HD2 LEU 46 11.473 1.790 -4.951 357 3HD2 LEU 46 3HD2 LEU 46 9.765 1.416 -5.192 358 H ASP 47 H ASP 47 15.695 -1.510 -3.557 359 HA ASP 47 HA ASP 47 17.147 -1.663 -1.768 360 1HB ASP 47 1HB ASP 47 17.842 0.310 -3.203 361 2HB ASP 47 2HB ASP 47 17.067 1.346 -2.007 362 H TRP 48 H TRP 48 14.545 -1.824 -0.802 363 HA TRP 48 HA TRP 48 14.601 -0.156 1.621 364 1HB TRP 48 1HB TRP 48 12.405 -1.345 0.001 365 2HB TRP 48 2HB TRP 48 12.155 -1.227 1.740 366 HD1 TRP 48 HD TRP 48 14.177 1.539 0.134 367 HE1 TRP 48 1HE TRP 48 12.780 3.701 0.103 368 HE3 TRP 48 3HE TRP 48 9.663 -0.389 1.565 369 HZ2 TRP 48 2HZ TRP 48 10.118 4.486 0.617 370 HZ3 TRP 48 3HZ TRP 48 7.742 1.135 1.772 371 HH2 TRP 48 HH TRP 48 7.967 3.521 1.308 372 H SER 49 H SER 49 13.192 -1.496 3.407 373 HA SER 49 HA SER 49 14.616 -4.059 3.715 374 1HB SER 49 1HB SER 49 14.551 -3.672 6.148 375 2HB SER 49 2HB SER 49 15.400 -2.370 5.314 376 HG SER 49 HG SER 49 13.097 -1.421 5.341 377 H VAL 50 H VAL 50 13.482 -5.840 4.340 378 HA VAL 50 HA VAL 50 10.916 -6.278 3.654 379 HB VAL 50 HB VAL 50 12.374 -8.081 4.396 380 1HG1 VAL 50 1HG1 VAL 50 11.922 -6.989 7.171 381 2HG1 VAL 50 2HG1 VAL 50 12.731 -8.510 6.790 382 3HG1 VAL 50 3HG1 VAL 50 13.442 -6.979 6.278 383 1HG2 VAL 50 1HG2 VAL 50 9.646 -7.755 5.492 384 2HG2 VAL 50 2HG2 VAL 50 10.287 -8.971 4.387 385 3HG2 VAL 50 3HG2 VAL 50 10.598 -9.100 6.118 386 H ARG 51 H ARG 51 12.007 -4.803 6.649 387 HA ARG 51 HA ARG 51 9.451 -4.814 7.919 388 1HB ARG 51 1HB ARG 51 11.894 -4.504 8.894 389 2HB ARG 51 2HB ARG 51 11.537 -2.802 8.630 390 1HG ARG 51 1HG ARG 51 9.324 -3.413 9.918 391 2HG ARG 51 2HG ARG 51 10.328 -4.721 10.546 392 1HD ARG 51 1HD ARG 51 10.596 -2.977 12.087 393 2HD ARG 51 2HD ARG 51 12.045 -2.912 11.084 394 HE ARG 51 HE ARG 51 10.340 -1.183 9.869 395 1HH1 ARG 51 2HH1 ARG 51 11.542 -1.523 13.118 396 2HH1 ARG 51 1HH1 ARG 51 11.455 0.171 13.467 397 1HH2 ARG 51 2HH2 ARG 51 10.221 1.051 10.316 398 2HH2 ARG 51 1HH2 ARG 51 10.703 1.634 11.873 399 H LYS 52 H LYS 52 11.386 -2.182 6.485 400 HA LYS 52 HA LYS 52 9.530 -0.148 6.685 401 1HB LYS 52 1HB LYS 52 11.904 0.089 5.939 402 2HB LYS 52 2HB LYS 52 11.434 -0.560 4.374 403 1HG LYS 52 1HG LYS 52 10.116 1.320 3.870 404 2HG LYS 52 2HG LYS 52 10.145 1.886 5.541 405 1HD LYS 52 1HD LYS 52 12.637 2.162 5.285 406 2HD LYS 52 2HD LYS 52 12.416 1.855 3.561 407 1HE LYS 52 1HE LYS 52 10.620 3.753 3.771 408 2HE LYS 52 2HE LYS 52 11.545 4.187 5.208 409 1HZ LYS 52 1HZ LYS 52 12.115 4.832 2.572 410 2HZ LYS 52 2HZ LYS 52 13.298 3.720 3.046 411 3HZ LYS 52 3HZ LYS 52 13.068 5.140 3.936 412 H ILE 53 H ILE 53 9.974 -2.423 3.986 413 HA ILE 53 HA ILE 53 7.988 -1.454 2.303 414 HB ILE 53 HB ILE 53 8.778 -4.347 2.660 415 1HG1 ILE 53 1HG1 ILE 53 9.896 -2.290 0.744 416 2HG1 ILE 53 2HG1 ILE 53 10.687 -2.787 2.237 417 1HG2 ILE 53 1HG2 ILE 53 6.662 -3.627 1.312 418 2HG2 ILE 53 2HG2 ILE 53 7.842 -3.141 0.097 419 3HG2 ILE 53 3HG2 ILE 53 7.776 -4.817 0.641 420 1HD1 ILE 53 1HD1 ILE 53 10.049 -5.114 0.738 421 2HD1 ILE 53 2HD1 ILE 53 10.866 -3.961 -0.318 422 3HD1 ILE 53 3HD1 ILE 53 11.632 -4.478 1.184 423 H GLN 54 H GLN 54 7.743 -3.944 4.830 424 HA GLN 54 HA GLN 54 5.098 -4.666 4.502 425 1HB GLN 54 1HB GLN 54 6.829 -4.493 6.958 426 2HB GLN 54 2HB GLN 54 5.172 -5.075 7.040 427 1HG GLN 54 1HG GLN 54 7.010 -6.296 5.050 428 2HG GLN 54 2HG GLN 54 7.191 -6.724 6.750 429 1HE2 GLN 54 1HE2 GLN 54 6.222 -8.557 7.193 430 2HE2 GLN 54 2HE2 GLN 54 4.713 -9.100 6.551 431 H CYS 55 H CYS 55 6.428 -1.966 6.375 432 HA CYS 55 HA CYS 55 4.016 -1.067 7.484 433 1HB CYS 55 1HB CYS 55 6.539 -0.361 7.886 434 2HB CYS 55 2HB CYS 55 6.131 0.902 6.730 435 HG CYS 55 HG CYS 55 3.876 1.734 8.330 436 H TRP 56 H TRP 56 5.273 -0.829 4.291 437 HA TRP 56 HA TRP 56 3.684 1.431 3.498 438 1HB TRP 56 1HB TRP 56 5.847 0.818 2.407 439 2HB TRP 56 2HB TRP 56 5.062 -0.614 1.746 440 HD1 TRP 56 HD TRP 56 5.532 3.061 1.125 441 HE1 TRP 56 1HE TRP 56 4.294 3.739 -1.027 442 HE3 TRP 56 3HE TRP 56 2.842 -1.217 0.353 443 HZ2 TRP 56 2HZ TRP 56 2.424 2.610 -2.815 444 HZ3 TRP 56 3HZ TRP 56 1.351 -1.337 -1.601 445 HH2 TRP 56 HH TRP 56 1.148 0.539 -3.151 446 H PHE 57 H PHE 57 3.319 -2.035 3.539 447 HA PHE 57 HA PHE 57 1.052 -2.083 1.778 448 1HB PHE 57 1HB PHE 57 2.473 -4.083 3.485 449 2HB PHE 57 2HB PHE 57 0.846 -4.455 2.924 450 HD1 PHE 57 1HD PHE 57 4.274 -3.644 1.822 451 HD2 PHE 57 2HD PHE 57 0.442 -5.115 0.698 452 HE1 PHE 57 1HE PHE 57 5.195 -4.384 -0.336 453 HE2 PHE 57 2HE PHE 57 1.357 -5.858 -1.462 454 HZ PHE 57 HZ PHE 57 3.737 -5.494 -1.981 455 H ARG 58 H ARG 58 1.564 -2.097 5.267 456 HA ARG 58 HA ARG 58 -1.140 -2.538 5.986 457 1HB ARG 58 1HB ARG 58 -0.473 -2.176 8.184 458 2HB ARG 58 2HB ARG 58 1.010 -2.735 7.421 459 1HG ARG 58 1HG ARG 58 1.740 -0.394 7.187 460 2HG ARG 58 2HG ARG 58 0.278 0.121 8.030 461 1HD ARG 58 1HD ARG 58 2.059 -1.905 9.302 462 2HD ARG 58 2HD ARG 58 2.534 -0.208 9.327 463 HE ARG 58 HE ARG 58 0.808 0.236 10.795 464 1HH1 ARG 58 2HH1 ARG 58 0.551 -3.016 9.579 465 2HH1 ARG 58 1HH1 ARG 58 -0.653 -3.491 10.730 466 1HH2 ARG 58 2HH2 ARG 58 -0.777 -0.377 12.317 467 2HH2 ARG 58 1HH2 ARG 58 -1.408 -1.989 12.286 468 H HIS 59 H HIS 59 0.813 0.424 5.748 469 HA HIS 59 HA HIS 59 -1.189 2.227 6.514 470 1HB HIS 59 1HB HIS 59 1.365 2.588 6.144 471 2HB HIS 59 2HB HIS 59 0.902 2.952 4.484 472 HD1 HIS 59 1HD HIS 59 -0.328 5.165 4.055 473 HD2 HIS 59 2HD HIS 59 0.577 4.499 8.055 474 HE1 HIS 59 1HE HIS 59 -0.740 7.359 5.212 475 HE2 HIS 59 2HE HIS 59 -0.104 6.955 7.616 476 H ARG 60 H ARG 60 -0.687 0.506 3.568 477 HA ARG 60 HA ARG 60 -2.097 2.216 1.810 478 1HB ARG 60 1HB ARG 60 -1.158 -0.600 1.764 479 2HB ARG 60 2HB ARG 60 -2.448 -0.176 0.647 480 1HG ARG 60 1HG ARG 60 -0.008 1.532 0.789 481 2HG ARG 60 2HG ARG 60 0.039 0.002 -0.090 482 1HD ARG 60 1HD ARG 60 -1.830 2.318 -0.574 483 2HD ARG 60 2HD ARG 60 -0.507 1.792 -1.614 484 HE ARG 60 HE ARG 60 -2.183 -0.383 -1.345 485 1HH1 ARG 60 2HH1 ARG 60 -2.411 2.872 -2.556 486 2HH1 ARG 60 1HH1 ARG 60 -3.625 2.489 -3.731 487 1HH2 ARG 60 2HH2 ARG 60 -3.780 -0.901 -2.888 488 2HH2 ARG 60 1HH2 ARG 60 -4.403 0.342 -3.919 489 H ARG 61 H ARG 61 -3.167 -0.960 3.032 490 HA ARG 61 HA ARG 61 -5.752 -0.995 2.350 491 1HB ARG 61 1HB ARG 61 -4.342 -1.916 4.801 492 2HB ARG 61 2HB ARG 61 -6.100 -1.931 4.829 493 1HG ARG 61 1HG ARG 61 -5.753 -3.151 2.503 494 2HG ARG 61 2HG ARG 61 -4.209 -3.573 3.247 495 1HD ARG 61 1HD ARG 61 -5.813 -5.309 3.710 496 2HD ARG 61 2HD ARG 61 -5.439 -4.451 5.204 497 HE ARG 61 HE ARG 61 -7.775 -3.491 3.804 498 1HH1 ARG 61 2HH1 ARG 61 -6.526 -5.676 6.209 499 2HH1 ARG 61 1HH1 ARG 61 -8.042 -5.844 7.032 500 1HH2 ARG 61 2HH2 ARG 61 -9.776 -3.704 4.878 501 2HH2 ARG 61 1HH2 ARG 61 -9.890 -4.722 6.273 502 H ASN 62 H ASN 62 -4.412 0.924 4.994 503 HA ASN 62 HA ASN 62 -6.935 1.910 5.894 504 1HB ASN 62 1HB ASN 62 -4.165 3.042 6.349 505 2HB ASN 62 2HB ASN 62 -5.615 3.456 7.259 506 1HD2 ASN 62 1HD2 ASN 62 -6.789 1.249 7.936 507 2HD2 ASN 62 2HD2 ASN 62 -5.753 0.180 8.814 508 H GLN 63 H GLN 63 -4.377 3.184 3.802 509 HA GLN 63 HA GLN 63 -5.573 5.716 3.382 510 1HB GLN 63 1HB GLN 63 -3.138 4.849 2.905 511 2HB GLN 63 2HB GLN 63 -3.805 4.448 1.328 512 1HG GLN 63 1HG GLN 63 -4.007 7.189 2.538 513 2HG GLN 63 2HG GLN 63 -2.662 6.680 1.519 514 1HE2 GLN 63 1HE2 GLN 63 -2.982 6.389 -0.666 515 2HE2 GLN 63 2HE2 GLN 63 -4.407 6.927 -1.482 516 H ASP 64 H ASP 64 -5.383 2.860 1.252 517 HA ASP 64 HA ASP 64 -6.783 3.586 -0.908 518 1HB ASP 64 1HB ASP 64 -5.981 1.301 -0.567 519 2HB ASP 64 2HB ASP 64 -7.235 1.025 0.639 520 H LYS 65 H LYS 65 -8.249 2.771 2.213 521 HA LYS 65 HA LYS 65 -10.905 3.404 1.233 522 1HB LYS 65 1HB LYS 65 -10.734 1.554 2.761 523 2HB LYS 65 2HB LYS 65 -9.878 2.541 3.939 524 1HG LYS 65 1HG LYS 65 -12.052 3.986 3.876 525 2HG LYS 65 2HG LYS 65 -12.774 2.506 3.241 526 1HD LYS 65 1HD LYS 65 -12.406 1.331 5.195 527 2HD LYS 65 2HD LYS 65 -11.080 2.381 5.699 528 1HE LYS 65 1HE LYS 65 -12.934 2.837 7.124 529 2HE LYS 65 2HE LYS 65 -12.765 4.204 6.024 530 1HZ LYS 65 1HZ LYS 65 -14.569 3.377 4.707 531 2HZ LYS 65 2HZ LYS 65 -15.081 3.464 6.316 532 3HZ LYS 65 3HZ LYS 65 -14.679 1.968 5.636 533 HA PRO 66 HA PRO 66 -10.838 7.651 2.401 534 1HB PRO 66 1HB PRO 66 -13.510 8.063 2.641 535 2HB PRO 66 2HB PRO 66 -12.702 7.886 1.079 536 1HG PRO 66 1HG PRO 66 -14.238 5.859 2.657 537 2HG PRO 66 2HG PRO 66 -14.279 6.185 0.915 538 1HD PRO 66 1HD PRO 66 -12.882 4.124 1.979 539 2HD PRO 66 2HD PRO 66 -12.353 4.981 0.518 540 H SER 67 H SER 67 -11.146 9.018 4.185 541 HA SER 67 HA SER 67 -11.433 7.614 6.715 542 1HB SER 67 1HB SER 67 -10.456 9.546 7.732 543 2HB SER 67 2HB SER 67 -9.559 9.254 6.242 544 HG SER 67 HG SER 67 -11.306 10.815 5.389 545 H GLY 68 H GLY 68 -12.763 8.459 8.447 546 1HA GLY 68 1HA GLY 68 -14.715 10.448 8.120 547 2HA GLY 68 2HA GLY 68 -15.426 8.908 7.660 548 HA PRO 69 HA PRO 69 -16.324 7.993 11.846 549 1HB PRO 69 1HB PRO 69 -15.914 5.312 11.956 550 2HB PRO 69 2HB PRO 69 -17.287 6.040 11.113 551 1HG PRO 69 1HG PRO 69 -14.699 5.029 9.999 552 2HG PRO 69 2HG PRO 69 -16.345 4.817 9.374 553 1HD PRO 69 1HD PRO 69 -14.628 6.652 8.365 554 2HD PRO 69 2HD PRO 69 -16.384 6.911 8.412 555 H SER 70 H SER 70 -15.456 6.984 13.861 556 HA SER 70 HA SER 70 -12.513 7.144 13.900 557 1HB SER 70 1HB SER 70 -14.430 7.776 16.156 558 2HB SER 70 2HB SER 70 -12.678 7.967 16.189 559 HG SER 70 HG SER 70 -13.255 9.341 14.169 560 H SER 71 H SER 71 -11.382 5.478 14.707 561 HA SER 71 HA SER 71 -12.827 3.069 15.414 562 1HB SER 71 1HB SER 71 -9.848 3.559 15.166 563 2HB SER 71 2HB SER 71 -10.622 1.984 15.346 564 HG SER 71 HG SER 71 -11.356 3.700 13.239 565 H GLY 72 H GLY 72 -13.093 2.266 17.406 566 1HA GLY 72 1HA GLY 72 -11.563 3.518 19.603 567 2HA GLY 72 2HA GLY 72 -13.282 3.175 19.735 Start of MODEL 5 1 1H GLY 1 H GLY 1 -32.091 13.032 7.291 2 1HA GLY 1 1HA GLY 1 -33.353 15.565 7.579 3 2HA GLY 1 2HA GLY 1 -31.952 15.451 8.634 4 H SER 2 H SER 2 -29.878 14.881 7.601 5 HA SER 2 HA SER 2 -29.684 16.209 4.994 6 1HB SER 2 1HB SER 2 -27.632 15.664 7.145 7 2HB SER 2 2HB SER 2 -27.218 16.314 5.559 8 HG SER 2 HG SER 2 -27.814 17.747 7.546 9 H SER 3 H SER 3 -29.120 15.142 3.205 10 HA SER 3 HA SER 3 -28.081 12.399 3.496 11 1HB SER 3 1HB SER 3 -30.371 12.247 2.749 12 2HB SER 3 2HB SER 3 -30.090 13.453 1.493 13 HG SER 3 HG SER 3 -29.745 11.719 0.331 14 H GLY 4 H GLY 4 -25.958 12.696 3.061 15 1HA GLY 4 1HA GLY 4 -24.101 12.914 1.715 16 2HA GLY 4 2HA GLY 4 -25.184 13.184 0.357 17 H SER 5 H SER 5 -22.658 14.526 1.168 18 HA SER 5 HA SER 5 -23.704 17.276 1.364 19 1HB SER 5 1HB SER 5 -21.494 17.873 2.375 20 2HB SER 5 2HB SER 5 -22.442 16.761 3.362 21 HG SER 5 HG SER 5 -20.118 16.267 2.993 22 H SER 6 H SER 6 -20.847 15.465 0.226 23 HA SER 6 HA SER 6 -20.983 16.917 -2.305 24 1HB SER 6 1HB SER 6 -19.380 18.035 -0.577 25 2HB SER 6 2HB SER 6 -18.316 16.677 -0.942 26 HG SER 6 HG SER 6 -17.961 17.457 -2.886 27 H GLY 7 H GLY 7 -20.784 15.538 -3.937 28 1HA GLY 7 1HA GLY 7 -20.193 12.793 -3.523 29 2HA GLY 7 2HA GLY 7 -20.408 13.579 -5.080 30 H GLY 8 H GLY 8 -18.514 14.929 -5.821 31 1HA GLY 8 1HA GLY 8 -16.188 15.311 -5.936 32 2HA GLY 8 2HA GLY 8 -15.940 14.005 -4.787 33 H ILE 9 H ILE 9 -14.274 13.997 -6.832 34 HA ILE 9 HA ILE 9 -15.347 11.988 -8.704 35 HB ILE 9 HB ILE 9 -13.486 12.665 -10.229 36 1HG1 ILE 9 1HG1 ILE 9 -13.247 15.135 -8.521 37 2HG1 ILE 9 2HG1 ILE 9 -12.188 13.748 -8.288 38 1HG2 ILE 9 1HG2 ILE 9 -14.665 15.161 -10.356 39 2HG2 ILE 9 2HG2 ILE 9 -15.239 13.692 -11.143 40 3HG2 ILE 9 3HG2 ILE 9 -15.883 14.158 -9.569 41 1HD1 ILE 9 1HD1 ILE 9 -11.647 13.981 -10.773 42 2HD1 ILE 9 2HD1 ILE 9 -12.392 15.575 -10.648 43 3HD1 ILE 9 3HD1 ILE 9 -10.982 15.181 -9.664 44 H LYS 10 H LYS 10 -12.725 12.849 -6.550 45 HA LYS 10 HA LYS 10 -10.840 11.710 -5.890 46 1HB LYS 10 1HB LYS 10 -11.366 9.544 -4.888 47 2HB LYS 10 2HB LYS 10 -12.626 10.719 -4.532 48 1HG LYS 10 1HG LYS 10 -14.156 9.700 -5.942 49 2HG LYS 10 2HG LYS 10 -12.902 8.858 -6.855 50 1HD LYS 10 1HD LYS 10 -13.271 8.258 -3.951 51 2HD LYS 10 2HD LYS 10 -14.376 7.555 -5.134 52 1HE LYS 10 1HE LYS 10 -12.281 6.788 -6.375 53 2HE LYS 10 2HE LYS 10 -11.402 7.191 -4.900 54 1HZ LYS 10 1HZ LYS 10 -13.269 5.707 -3.840 55 2HZ LYS 10 2HZ LYS 10 -11.878 5.016 -4.508 56 3HZ LYS 10 3HZ LYS 10 -13.320 5.035 -5.391 57 H ASP 11 H ASP 11 -11.029 11.833 -8.716 58 HA ASP 11 HA ASP 11 -10.749 9.460 -10.099 59 1HB ASP 11 1HB ASP 11 -10.846 11.482 -11.343 60 2HB ASP 11 2HB ASP 11 -9.443 12.146 -10.511 61 H SER 12 H SER 12 -8.097 11.414 -8.727 62 HA SER 12 HA SER 12 -6.637 8.979 -8.098 63 1HB SER 12 1HB SER 12 -4.692 9.483 -9.353 64 2HB SER 12 2HB SER 12 -6.032 9.721 -10.473 65 HG SER 12 HG SER 12 -5.895 11.967 -10.015 66 HA PRO 13 HA PRO 13 -5.515 11.364 -4.575 67 1HB PRO 13 1HB PRO 13 -3.346 9.946 -3.765 68 2HB PRO 13 2HB PRO 13 -5.003 9.362 -3.571 69 1HG PRO 13 1HG PRO 13 -2.986 8.673 -5.673 70 2HG PRO 13 2HG PRO 13 -4.095 7.605 -4.793 71 1HD PRO 13 1HD PRO 13 -4.589 8.459 -7.314 72 2HD PRO 13 2HD PRO 13 -5.885 8.142 -6.142 73 H VAL 14 H VAL 14 -4.572 13.298 -4.607 74 HA VAL 14 HA VAL 14 -2.463 13.967 -6.396 75 HB VAL 14 HB VAL 14 -4.074 15.656 -5.770 76 1HG1 VAL 14 1HG1 VAL 14 -4.626 14.899 -3.539 77 2HG1 VAL 14 2HG1 VAL 14 -3.012 15.322 -2.966 78 3HG1 VAL 14 3HG1 VAL 14 -4.124 16.589 -3.487 79 1HG2 VAL 14 1HG2 VAL 14 -2.566 17.298 -5.933 80 2HG2 VAL 14 2HG2 VAL 14 -1.812 16.876 -4.395 81 3HG2 VAL 14 3HG2 VAL 14 -1.350 16.022 -5.867 82 H ASN 15 H ASN 15 -2.630 13.331 -2.924 83 HA ASN 15 HA ASN 15 0.143 13.931 -2.481 84 1HB ASN 15 1HB ASN 15 -1.611 12.329 -0.628 85 2HB ASN 15 2HB ASN 15 -0.245 13.363 -0.220 86 1HD2 ASN 15 1HD2 ASN 15 -0.508 15.640 -0.377 87 2HD2 ASN 15 2HD2 ASN 15 -2.077 16.352 -0.243 88 H LYS 16 H LYS 16 1.550 12.232 -1.385 89 HA LYS 16 HA LYS 16 1.127 9.533 -2.411 90 1HB LYS 16 1HB LYS 16 2.397 10.695 -4.169 91 2HB LYS 16 2HB LYS 16 3.624 11.139 -2.989 92 1HG LYS 16 1HG LYS 16 4.457 9.288 -4.206 93 2HG LYS 16 2HG LYS 16 4.010 8.694 -2.604 94 1HD LYS 16 1HD LYS 16 3.110 7.069 -3.976 95 2HD LYS 16 2HD LYS 16 1.731 8.148 -3.750 96 1HE LYS 16 1HE LYS 16 2.438 9.292 -5.887 97 2HE LYS 16 2HE LYS 16 3.568 7.960 -6.128 98 1HZ LYS 16 1HZ LYS 16 0.771 7.296 -5.589 99 2HZ LYS 16 2HZ LYS 16 1.901 6.501 -6.564 100 3HZ LYS 16 3HZ LYS 16 1.150 7.911 -7.120 101 H VAL 17 H VAL 17 1.996 7.954 -1.144 102 HA VAL 17 HA VAL 17 2.929 8.744 1.467 103 HB VAL 17 HB VAL 17 2.850 6.394 2.036 104 1HG1 VAL 17 1HG1 VAL 17 0.546 7.522 0.499 105 2HG1 VAL 17 2HG1 VAL 17 0.444 5.907 1.202 106 3HG1 VAL 17 3HG1 VAL 17 0.731 7.305 2.239 107 1HG2 VAL 17 1HG2 VAL 17 3.769 5.332 0.133 108 2HG2 VAL 17 2HG2 VAL 17 2.109 4.750 0.261 109 3HG2 VAL 17 3HG2 VAL 17 2.521 5.986 -0.927 110 H GLU 18 H GLU 18 4.245 6.786 -1.203 111 HA GLU 18 HA GLU 18 6.899 7.747 -0.717 112 1HB GLU 18 1HB GLU 18 6.058 5.078 0.285 113 2HB GLU 18 2HB GLU 18 7.630 5.185 -0.495 114 1HG GLU 18 1HG GLU 18 6.677 6.606 1.968 115 2HG GLU 18 2HG GLU 18 8.015 5.471 1.805 116 HA PRO 19 HA PRO 19 7.457 6.675 -4.932 117 1HB PRO 19 1HB PRO 19 10.074 5.959 -5.025 118 2HB PRO 19 2HB PRO 19 9.543 7.630 -4.807 119 1HG PRO 19 1HG PRO 19 10.468 5.654 -2.757 120 2HG PRO 19 2HG PRO 19 10.867 7.375 -2.912 121 1HD PRO 19 1HD PRO 19 9.025 6.459 -1.152 122 2HD PRO 19 2HD PRO 19 8.894 8.049 -1.930 123 H ASN 20 H ASN 20 7.355 4.359 -2.599 124 HA ASN 20 HA ASN 20 8.239 2.111 -4.192 125 1HB ASN 20 1HB ASN 20 7.154 2.467 -1.426 126 2HB ASN 20 2HB ASN 20 7.090 0.871 -2.168 127 1HD2 ASN 20 1HD2 ASN 20 8.554 -0.047 -0.783 128 2HD2 ASN 20 2HD2 ASN 20 10.235 0.352 -0.788 129 H ASP 21 H ASP 21 5.989 3.854 -5.084 130 HA ASP 21 HA ASP 21 3.481 2.819 -4.827 131 1HB ASP 21 1HB ASP 21 3.703 4.743 -6.169 132 2HB ASP 21 2HB ASP 21 4.884 3.974 -7.227 133 H THR 22 H THR 22 6.149 1.487 -6.675 134 HA THR 22 HA THR 22 5.050 -0.312 -8.352 135 HB THR 22 HB THR 22 7.386 -0.710 -6.489 136 HG1 THR 22 1HG THR 22 7.026 0.044 -9.193 137 1HG2 THR 22 1HG2 THR 22 8.007 -2.675 -7.754 138 2HG2 THR 22 2HG2 THR 22 6.585 -2.503 -8.783 139 3HG2 THR 22 3HG2 THR 22 6.396 -2.907 -7.077 140 H LEU 23 H LEU 23 5.106 -0.554 -4.846 141 HA LEU 23 HA LEU 23 4.209 -3.223 -4.644 142 1HB LEU 23 1HB LEU 23 4.139 -0.866 -2.793 143 2HB LEU 23 2HB LEU 23 3.392 -2.398 -2.346 144 HG LEU 23 HG LEU 23 5.465 -3.506 -2.265 145 1HD1 LEU 23 1HD1 LEU 23 6.325 -2.504 -4.386 146 2HD1 LEU 23 2HD1 LEU 23 7.527 -2.655 -3.104 147 3HD1 LEU 23 3HD1 LEU 23 6.804 -1.085 -3.454 148 1HD2 LEU 23 1HD2 LEU 23 5.231 -0.910 -0.935 149 2HD2 LEU 23 2HD2 LEU 23 6.881 -1.525 -1.032 150 3HD2 LEU 23 3HD2 LEU 23 5.620 -2.497 -0.271 151 H GLU 24 H GLU 24 2.497 -0.133 -4.786 152 HA GLU 24 HA GLU 24 -0.055 -0.785 -4.159 153 1HB GLU 24 1HB GLU 24 0.951 1.410 -5.145 154 2HB GLU 24 2HB GLU 24 0.433 0.749 -6.689 155 1HG GLU 24 1HG GLU 24 -1.862 0.602 -5.848 156 2HG GLU 24 2HG GLU 24 -1.335 1.297 -4.316 157 H LYS 25 H LYS 25 1.610 -1.576 -7.168 158 HA LYS 25 HA LYS 25 -0.655 -2.695 -8.470 159 1HB LYS 25 1HB LYS 25 1.308 -1.910 -9.712 160 2HB LYS 25 2HB LYS 25 2.294 -3.156 -8.957 161 1HG LYS 25 1HG LYS 25 1.380 -4.840 -10.216 162 2HG LYS 25 2HG LYS 25 -0.129 -3.965 -10.487 163 1HD LYS 25 1HD LYS 25 1.255 -2.335 -11.872 164 2HD LYS 25 2HD LYS 25 2.541 -3.542 -11.806 165 1HE LYS 25 1HE LYS 25 1.453 -4.033 -13.800 166 2HE LYS 25 2HE LYS 25 0.743 -5.179 -12.663 167 1HZ LYS 25 1HZ LYS 25 -1.259 -4.261 -12.892 168 2HZ LYS 25 2HZ LYS 25 -0.643 -3.497 -14.269 169 3HZ LYS 25 3HZ LYS 25 -0.667 -2.680 -12.789 170 H VAL 26 H VAL 26 2.273 -4.391 -7.341 171 HA VAL 26 HA VAL 26 1.406 -6.963 -7.459 172 HB VAL 26 HB VAL 26 3.647 -5.869 -6.516 173 1HG1 VAL 26 1HG1 VAL 26 2.255 -6.832 -4.020 174 2HG1 VAL 26 2HG1 VAL 26 3.912 -6.237 -4.143 175 3HG1 VAL 26 3HG1 VAL 26 2.557 -5.141 -4.420 176 1HG2 VAL 26 1HG2 VAL 26 2.547 -8.500 -6.698 177 2HG2 VAL 26 2HG2 VAL 26 4.226 -7.986 -6.865 178 3HG2 VAL 26 3HG2 VAL 26 3.585 -8.401 -5.275 179 H PHE 27 H PHE 27 0.683 -4.615 -4.930 180 HA PHE 27 HA PHE 27 -0.441 -6.213 -2.996 181 1HB PHE 27 1HB PHE 27 -0.247 -3.932 -2.471 182 2HB PHE 27 2HB PHE 27 -1.103 -3.431 -3.925 183 HD1 PHE 27 1HD PHE 27 -1.424 -4.579 -0.491 184 HD2 PHE 27 2HD PHE 27 -3.537 -3.572 -4.046 185 HE1 PHE 27 1HE PHE 27 -3.516 -4.442 0.796 186 HE2 PHE 27 2HE PHE 27 -5.633 -3.433 -2.764 187 HZ PHE 27 HZ PHE 27 -5.624 -3.867 -0.340 188 H VAL 28 H VAL 28 -2.027 -4.876 -5.878 189 HA VAL 28 HA VAL 28 -4.324 -6.643 -5.369 190 HB VAL 28 HB VAL 28 -4.980 -4.331 -5.571 191 1HG1 VAL 28 1HG1 VAL 28 -4.615 -3.262 -7.911 192 2HG1 VAL 28 2HG1 VAL 28 -3.308 -3.225 -6.725 193 3HG1 VAL 28 3HG1 VAL 28 -3.282 -4.410 -8.031 194 1HG2 VAL 28 1HG2 VAL 28 -6.779 -4.726 -6.881 195 2HG2 VAL 28 2HG2 VAL 28 -5.803 -5.257 -8.250 196 3HG2 VAL 28 3HG2 VAL 28 -6.124 -6.363 -6.915 197 H SER 29 H SER 29 -1.539 -6.843 -6.918 198 HA SER 29 HA SER 29 -2.616 -7.942 -9.416 199 1HB SER 29 1HB SER 29 -0.563 -6.274 -9.179 200 2HB SER 29 2HB SER 29 0.321 -7.774 -8.902 201 HG SER 29 HG SER 29 -0.190 -8.462 -10.908 202 H VAL 30 H VAL 30 -0.392 -8.782 -6.771 203 HA VAL 30 HA VAL 30 -0.706 -11.619 -7.493 204 HB VAL 30 HB VAL 30 1.349 -12.089 -6.407 205 1HG1 VAL 30 1HG1 VAL 30 1.799 -11.262 -8.554 206 2HG1 VAL 30 2HG1 VAL 30 1.459 -9.597 -8.078 207 3HG1 VAL 30 3HG1 VAL 30 2.920 -10.400 -7.501 208 1HG2 VAL 30 1HG2 VAL 30 1.073 -10.734 -4.422 209 2HG2 VAL 30 2HG2 VAL 30 2.628 -10.375 -5.173 210 3HG2 VAL 30 3HG2 VAL 30 1.277 -9.258 -5.366 211 H THR 31 H THR 31 -0.665 -9.390 -4.734 212 HA THR 31 HA THR 31 -2.788 -10.692 -3.410 213 HB THR 31 HB THR 31 -1.075 -12.420 -2.984 214 HG1 THR 31 1HG THR 31 -2.607 -12.239 -1.388 215 1HG2 THR 31 1HG2 THR 31 0.601 -10.198 -2.554 216 2HG2 THR 31 2HG2 THR 31 1.019 -11.906 -2.422 217 3HG2 THR 31 3HG2 THR 31 0.458 -11.023 -1.003 218 H LYS 32 H LYS 32 -3.527 -9.529 -1.643 219 HA LYS 32 HA LYS 32 -2.700 -6.817 -1.490 220 1HB LYS 32 1HB LYS 32 -4.441 -8.244 0.517 221 2HB LYS 32 2HB LYS 32 -4.442 -6.533 0.110 222 1HG LYS 32 1HG LYS 32 -5.050 -8.471 -2.052 223 2HG LYS 32 2HG LYS 32 -6.275 -8.194 -0.811 224 1HD LYS 32 1HD LYS 32 -6.119 -5.764 -1.259 225 2HD LYS 32 2HD LYS 32 -4.981 -6.106 -2.565 226 1HE LYS 32 1HE LYS 32 -7.074 -5.859 -3.610 227 2HE LYS 32 2HE LYS 32 -6.788 -7.597 -3.545 228 1HZ LYS 32 1HZ LYS 32 -8.094 -6.992 -1.207 229 2HZ LYS 32 2HZ LYS 32 -8.754 -7.757 -2.563 230 3HZ LYS 32 3HZ LYS 32 -8.895 -6.081 -2.386 231 H TYR 33 H TYR 33 -1.956 -9.681 0.350 232 HA TYR 33 HA TYR 33 -0.084 -8.092 1.966 233 1HB TYR 33 1HB TYR 33 -2.202 -9.961 2.893 234 2HB TYR 33 2HB TYR 33 -0.657 -10.020 3.733 235 HD1 TYR 33 1HD TYR 33 -0.691 -8.854 5.715 236 HD2 TYR 33 2HD TYR 33 -2.831 -7.284 2.390 237 HE1 TYR 33 1HE TYR 33 -1.348 -6.907 7.066 238 HE2 TYR 33 2HE TYR 33 -3.493 -5.331 3.731 239 HH TYR 33 HH TYR 33 -2.905 -5.168 7.154 240 HA PRO 34 HA PRO 34 2.243 -11.435 -0.132 241 1HB PRO 34 1HB PRO 34 4.523 -9.981 -0.362 242 2HB PRO 34 2HB PRO 34 3.193 -9.871 -1.520 243 1HG PRO 34 1HG PRO 34 3.867 -8.060 0.766 244 2HG PRO 34 2HG PRO 34 3.358 -7.641 -0.880 245 1HD PRO 34 1HD PRO 34 1.654 -7.613 1.224 246 2HD PRO 34 2HD PRO 34 1.131 -8.022 -0.422 247 H ASP 35 H ASP 35 3.836 -12.792 0.670 248 HA ASP 35 HA ASP 35 4.407 -12.484 3.505 249 1HB ASP 35 1HB ASP 35 3.652 -14.655 2.198 250 2HB ASP 35 2HB ASP 35 5.382 -14.815 1.910 251 H GLU 36 H GLU 36 6.591 -12.954 4.331 252 HA GLU 36 HA GLU 36 8.502 -11.208 3.583 253 1HB GLU 36 1HB GLU 36 8.797 -12.453 5.594 254 2HB GLU 36 2HB GLU 36 8.853 -13.978 4.721 255 1HG GLU 36 1HG GLU 36 10.956 -13.042 3.602 256 2HG GLU 36 2HG GLU 36 10.940 -11.839 4.890 257 H LYS 37 H LYS 37 7.901 -14.341 2.119 258 HA LYS 37 HA LYS 37 10.127 -14.815 0.632 259 1HB LYS 37 1HB LYS 37 7.218 -15.221 0.089 260 2HB LYS 37 2HB LYS 37 8.366 -15.530 -1.207 261 1HG LYS 37 1HG LYS 37 8.032 -17.600 -0.169 262 2HG LYS 37 2HG LYS 37 9.590 -17.030 0.434 263 1HD LYS 37 1HD LYS 37 8.747 -16.561 2.540 264 2HD LYS 37 2HD LYS 37 7.086 -16.431 1.958 265 1HE LYS 37 1HE LYS 37 8.664 -18.999 2.048 266 2HE LYS 37 2HE LYS 37 7.543 -18.478 3.305 267 1HZ LYS 37 1HZ LYS 37 6.459 -18.467 0.624 268 2HZ LYS 37 2HZ LYS 37 5.775 -19.025 2.066 269 3HZ LYS 37 3HZ LYS 37 6.861 -20.001 1.214 270 H ARG 38 H ARG 38 7.398 -12.792 -0.463 271 HA ARG 38 HA ARG 38 8.710 -11.876 -2.796 272 1HB ARG 38 1HB ARG 38 6.165 -11.826 -2.039 273 2HB ARG 38 2HB ARG 38 6.606 -10.213 -1.494 274 1HG ARG 38 1HG ARG 38 7.119 -9.497 -3.666 275 2HG ARG 38 2HG ARG 38 7.166 -11.149 -4.287 276 1HD ARG 38 1HD ARG 38 4.652 -11.124 -3.419 277 2HD ARG 38 2HD ARG 38 4.844 -9.395 -3.707 278 HE ARG 38 HE ARG 38 4.628 -9.845 -5.923 279 1HH1 ARG 38 2HH1 ARG 38 5.900 -12.683 -4.358 280 2HH1 ARG 38 1HH1 ARG 38 5.926 -13.630 -5.808 281 1HH2 ARG 38 2HH2 ARG 38 4.657 -11.082 -7.839 282 2HH2 ARG 38 1HH2 ARG 38 5.219 -12.718 -7.788 283 H LEU 39 H LEU 39 8.293 -10.470 0.431 284 HA LEU 39 HA LEU 39 9.279 -7.960 0.134 285 1HB LEU 39 1HB LEU 39 9.568 -9.974 2.314 286 2HB LEU 39 2HB LEU 39 10.438 -8.447 2.435 287 HG LEU 39 HG LEU 39 8.337 -8.399 3.681 288 1HD1 LEU 39 1HD1 LEU 39 8.057 -6.628 1.271 289 2HD1 LEU 39 2HD1 LEU 39 9.301 -6.375 2.495 290 3HD1 LEU 39 3HD1 LEU 39 7.596 -6.293 2.941 291 1HD2 LEU 39 1HD2 LEU 39 6.901 -8.619 1.049 292 2HD2 LEU 39 2HD2 LEU 39 6.220 -8.646 2.676 293 3HD2 LEU 39 3HD2 LEU 39 7.180 -10.009 2.099 294 H LYS 40 H LYS 40 11.243 -10.893 0.556 295 HA LYS 40 HA LYS 40 13.765 -9.929 0.666 296 1HB LYS 40 1HB LYS 40 12.711 -12.266 -0.920 297 2HB LYS 40 2HB LYS 40 14.430 -11.931 -0.767 298 1HG LYS 40 1HG LYS 40 14.334 -12.225 1.613 299 2HG LYS 40 2HG LYS 40 12.577 -12.387 1.561 300 1HD LYS 40 1HD LYS 40 12.706 -14.469 0.449 301 2HD LYS 40 2HD LYS 40 14.416 -14.246 0.072 302 1HE LYS 40 1HE LYS 40 15.074 -14.652 2.276 303 2HE LYS 40 2HE LYS 40 13.455 -14.357 2.910 304 1HZ LYS 40 1HZ LYS 40 13.641 -16.643 2.983 305 2HZ LYS 40 2HZ LYS 40 14.490 -16.742 1.524 306 3HZ LYS 40 3HZ LYS 40 12.832 -16.408 1.516 307 H GLY 41 H GLY 41 11.775 -10.159 -2.252 308 1HA GLY 41 1HA GLY 41 13.826 -9.220 -4.010 309 2HA GLY 41 2HA GLY 41 12.116 -9.358 -4.387 310 H LEU 42 H LEU 42 10.732 -7.661 -3.171 311 HA LEU 42 HA LEU 42 11.212 -5.170 -4.162 312 1HB LEU 42 1HB LEU 42 9.711 -6.051 -1.720 313 2HB LEU 42 2HB LEU 42 9.782 -4.352 -2.186 314 HG LEU 42 HG LEU 42 8.743 -6.512 -4.010 315 1HD1 LEU 42 1HD1 LEU 42 7.090 -4.679 -2.289 316 2HD1 LEU 42 2HD1 LEU 42 7.454 -6.351 -1.865 317 3HD1 LEU 42 3HD1 LEU 42 6.529 -5.993 -3.323 318 1HD2 LEU 42 1HD2 LEU 42 9.094 -3.600 -4.149 319 2HD2 LEU 42 2HD2 LEU 42 7.513 -4.184 -4.669 320 3HD2 LEU 42 3HD2 LEU 42 8.978 -4.795 -5.440 321 H SER 43 H SER 43 12.469 -6.550 -1.199 322 HA SER 43 HA SER 43 13.387 -4.260 0.080 323 1HB SER 43 1HB SER 43 13.524 -6.237 1.335 324 2HB SER 43 2HB SER 43 14.357 -7.108 0.047 325 HG SER 43 HG SER 43 15.634 -4.867 1.090 326 H LYS 44 H LYS 44 14.879 -6.177 -2.481 327 HA LYS 44 HA LYS 44 17.265 -4.546 -2.511 328 1HB LYS 44 1HB LYS 44 16.291 -6.931 -4.029 329 2HB LYS 44 2HB LYS 44 17.591 -5.962 -4.712 330 1HG LYS 44 1HG LYS 44 18.778 -7.537 -3.556 331 2HG LYS 44 2HG LYS 44 18.658 -6.260 -2.344 332 1HD LYS 44 1HD LYS 44 16.454 -7.546 -1.693 333 2HD LYS 44 2HD LYS 44 17.276 -8.897 -2.476 334 1HE LYS 44 1HE LYS 44 18.504 -7.217 -0.298 335 2HE LYS 44 2HE LYS 44 17.641 -8.725 -0.003 336 1HZ LYS 44 1HZ LYS 44 19.582 -9.726 -0.318 337 2HZ LYS 44 2HZ LYS 44 20.313 -8.321 -0.914 338 3HZ LYS 44 3HZ LYS 44 19.452 -9.335 -1.959 339 H GLN 45 H GLN 45 14.490 -5.106 -4.661 340 HA GLN 45 HA GLN 45 15.140 -3.478 -6.768 341 1HB GLN 45 1HB GLN 45 13.114 -4.895 -6.644 342 2HB GLN 45 2HB GLN 45 12.398 -3.743 -5.524 343 1HG GLN 45 1HG GLN 45 12.629 -2.007 -7.319 344 2HG GLN 45 2HG GLN 45 13.083 -3.309 -8.417 345 1HE2 GLN 45 1HE2 GLN 45 11.516 -5.127 -8.554 346 2HE2 GLN 45 2HE2 GLN 45 9.833 -4.737 -8.525 347 H LEU 46 H LEU 46 13.329 -2.478 -3.863 348 HA LEU 46 HA LEU 46 13.872 0.320 -4.548 349 1HB LEU 46 1HB LEU 46 12.011 -0.844 -2.481 350 2HB LEU 46 2HB LEU 46 12.171 0.865 -2.880 351 HG LEU 46 HG LEU 46 11.401 -1.034 -5.042 352 1HD1 LEU 46 1HD1 LEU 46 9.130 0.098 -3.609 353 2HD1 LEU 46 2HD1 LEU 46 10.018 -1.106 -2.676 354 3HD1 LEU 46 3HD1 LEU 46 9.369 -1.523 -4.262 355 1HD2 LEU 46 1HD2 LEU 46 11.835 1.581 -5.079 356 2HD2 LEU 46 2HD2 LEU 46 10.149 1.614 -4.560 357 3HD2 LEU 46 3HD2 LEU 46 10.591 0.825 -6.076 358 H ASP 47 H ASP 47 15.799 -1.642 -3.337 359 HA ASP 47 HA ASP 47 17.227 -1.841 -1.537 360 1HB ASP 47 1HB ASP 47 18.241 -0.063 -2.835 361 2HB ASP 47 2HB ASP 47 17.202 1.136 -2.069 362 H TRP 48 H TRP 48 14.672 -1.987 -0.560 363 HA TRP 48 HA TRP 48 14.721 -0.283 1.841 364 1HB TRP 48 1HB TRP 48 12.520 -1.442 0.209 365 2HB TRP 48 2HB TRP 48 12.257 -1.319 1.946 366 HD1 TRP 48 HD TRP 48 14.328 1.411 0.331 367 HE1 TRP 48 1HE TRP 48 12.968 3.595 0.297 368 HE3 TRP 48 3HE TRP 48 9.789 -0.437 1.784 369 HZ2 TRP 48 2HZ TRP 48 10.321 4.426 0.818 370 HZ3 TRP 48 3HZ TRP 48 7.894 1.119 1.993 371 HH2 TRP 48 HH TRP 48 8.157 3.500 1.520 372 H SER 49 H SER 49 13.273 -1.592 3.622 373 HA SER 49 HA SER 49 14.718 -4.131 4.000 374 1HB SER 49 1HB SER 49 13.617 -2.238 6.092 375 2HB SER 49 2HB SER 49 14.454 -3.755 6.424 376 HG SER 49 HG SER 49 15.472 -1.310 5.775 377 H VAL 50 H VAL 50 13.614 -5.917 4.848 378 HA VAL 50 HA VAL 50 11.086 -6.438 3.890 379 HB VAL 50 HB VAL 50 12.601 -8.202 4.648 380 1HG1 VAL 50 1HG1 VAL 50 12.137 -8.427 7.375 381 2HG1 VAL 50 2HG1 VAL 50 13.640 -7.925 6.599 382 3HG1 VAL 50 3HG1 VAL 50 12.472 -6.713 7.127 383 1HG2 VAL 50 1HG2 VAL 50 9.925 -8.180 6.038 384 2HG2 VAL 50 2HG2 VAL 50 10.270 -8.773 4.413 385 3HG2 VAL 50 3HG2 VAL 50 10.930 -9.613 5.817 386 H ARG 51 H ARG 51 12.002 -4.766 6.784 387 HA ARG 51 HA ARG 51 9.334 -4.921 7.926 388 1HB ARG 51 1HB ARG 51 10.414 -3.342 9.653 389 2HB ARG 51 2HB ARG 51 10.971 -5.009 9.590 390 1HG ARG 51 1HG ARG 51 12.992 -4.429 8.601 391 2HG ARG 51 2HG ARG 51 12.387 -2.860 8.064 392 1HD ARG 51 1HD ARG 51 13.629 -2.184 9.851 393 2HD ARG 51 2HD ARG 51 12.097 -2.492 10.668 394 HE ARG 51 HE ARG 51 14.545 -4.010 10.920 395 1HH1 ARG 51 2HH1 ARG 51 11.103 -3.929 11.429 396 2HH1 ARG 51 1HH1 ARG 51 11.124 -5.152 12.656 397 1HH2 ARG 51 2HH2 ARG 51 14.587 -5.621 12.534 398 2HH2 ARG 51 1HH2 ARG 51 13.107 -6.113 13.285 399 H LYS 52 H LYS 52 11.424 -2.596 6.315 400 HA LYS 52 HA LYS 52 9.788 -0.321 6.728 401 1HB LYS 52 1HB LYS 52 12.244 -0.412 5.988 402 2HB LYS 52 2HB LYS 52 11.622 -0.712 4.370 403 1HG LYS 52 1HG LYS 52 10.486 1.402 4.355 404 2HG LYS 52 2HG LYS 52 10.915 1.690 6.043 405 1HD LYS 52 1HD LYS 52 13.312 1.639 5.378 406 2HD LYS 52 2HD LYS 52 12.800 1.515 3.693 407 1HE LYS 52 1HE LYS 52 11.671 3.654 3.851 408 2HE LYS 52 2HE LYS 52 12.072 3.767 5.564 409 1HZ LYS 52 1HZ LYS 52 13.634 5.082 4.423 410 2HZ LYS 52 2HZ LYS 52 13.923 3.893 3.255 411 3HZ LYS 52 3HZ LYS 52 14.462 3.667 4.843 412 H ILE 53 H ILE 53 9.975 -2.725 4.145 413 HA ILE 53 HA ILE 53 8.194 -1.488 2.356 414 HB ILE 53 HB ILE 53 8.677 -4.449 2.706 415 1HG1 ILE 53 1HG1 ILE 53 10.045 -2.554 0.791 416 2HG1 ILE 53 2HG1 ILE 53 10.731 -3.014 2.345 417 1HG2 ILE 53 1HG2 ILE 53 6.727 -4.067 1.372 418 2HG2 ILE 53 2HG2 ILE 53 7.559 -2.839 0.419 419 3HG2 ILE 53 3HG2 ILE 53 8.046 -4.529 0.296 420 1HD1 ILE 53 1HD1 ILE 53 9.966 -5.361 0.909 421 2HD1 ILE 53 2HD1 ILE 53 10.979 -4.337 -0.110 422 3HD1 ILE 53 3HD1 ILE 53 11.562 -4.862 1.470 423 H GLN 54 H GLN 54 7.642 -3.927 4.881 424 HA GLN 54 HA GLN 54 4.956 -4.415 4.481 425 1HB GLN 54 1HB GLN 54 6.638 -4.370 6.971 426 2HB GLN 54 2HB GLN 54 4.924 -4.757 7.042 427 1HG GLN 54 1HG GLN 54 5.541 -6.479 5.175 428 2HG GLN 54 2HG GLN 54 7.167 -6.294 5.832 429 1HE2 GLN 54 1HE2 GLN 54 6.149 -8.724 5.975 430 2HE2 GLN 54 2HE2 GLN 54 5.652 -9.119 7.581 431 H CYS 55 H CYS 55 6.421 -1.884 6.506 432 HA CYS 55 HA CYS 55 4.127 -0.735 7.523 433 1HB CYS 55 1HB CYS 55 6.679 -0.175 7.863 434 2HB CYS 55 2HB CYS 55 6.365 1.038 6.628 435 HG CYS 55 HG CYS 55 5.644 1.090 9.851 436 H TRP 56 H TRP 56 5.299 -0.710 4.291 437 HA TRP 56 HA TRP 56 3.811 1.610 3.454 438 1HB TRP 56 1HB TRP 56 5.923 0.881 2.345 439 2HB TRP 56 2HB TRP 56 5.078 -0.547 1.753 440 HD1 TRP 56 HD TRP 56 5.648 3.092 0.995 441 HE1 TRP 56 1HE TRP 56 4.402 3.729 -1.166 442 HE3 TRP 56 3HE TRP 56 2.835 -1.136 0.405 443 HZ2 TRP 56 2HZ TRP 56 2.480 2.590 -2.891 444 HZ3 TRP 56 3HZ TRP 56 1.317 -1.282 -1.527 445 HH2 TRP 56 HH TRP 56 1.145 0.543 -3.139 446 H PHE 57 H PHE 57 3.460 -1.904 3.155 447 HA PHE 57 HA PHE 57 1.093 -1.835 1.606 448 1HB PHE 57 1HB PHE 57 2.481 -3.920 3.249 449 2HB PHE 57 2HB PHE 57 0.853 -4.230 2.657 450 HD1 PHE 57 1HD PHE 57 4.355 -3.798 1.745 451 HD2 PHE 57 2HD PHE 57 0.416 -4.475 0.282 452 HE1 PHE 57 1HE PHE 57 5.284 -4.487 -0.428 453 HE2 PHE 57 2HE PHE 57 1.338 -5.165 -1.892 454 HZ PHE 57 HZ PHE 57 3.774 -5.173 -2.249 455 H ARG 58 H ARG 58 1.664 -2.167 5.092 456 HA ARG 58 HA ARG 58 -0.944 -2.570 5.938 457 1HB ARG 58 1HB ARG 58 -0.236 -1.766 8.103 458 2HB ARG 58 2HB ARG 58 1.065 -2.709 7.387 459 1HG ARG 58 1HG ARG 58 2.217 -0.661 6.749 460 2HG ARG 58 2HG ARG 58 0.902 0.298 7.432 461 1HD ARG 58 1HD ARG 58 2.569 -1.659 9.005 462 2HD ARG 58 2HD ARG 58 2.895 0.071 8.917 463 HE ARG 58 HE ARG 58 0.230 -0.353 9.727 464 1HH1 ARG 58 2HH1 ARG 58 3.496 -0.654 10.893 465 2HH1 ARG 58 1HH1 ARG 58 3.062 -0.428 12.555 466 1HH2 ARG 58 2HH2 ARG 58 -0.354 -0.054 11.911 467 2HH2 ARG 58 1HH2 ARG 58 0.872 -0.088 13.133 468 H HIS 59 H HIS 59 0.770 0.502 5.435 469 HA HIS 59 HA HIS 59 -1.328 2.194 6.221 470 1HB HIS 59 1HB HIS 59 1.215 2.661 5.640 471 2HB HIS 59 2HB HIS 59 0.545 3.051 4.059 472 HD1 HIS 59 1HD HIS 59 -1.265 5.023 4.036 473 HD2 HIS 59 2HD HIS 59 0.953 4.625 7.526 474 HE1 HIS 59 1HE HIS 59 -1.567 7.190 5.275 475 HE2 HIS 59 2HE HIS 59 -0.147 6.959 7.342 476 H ARG 60 H ARG 60 -0.407 0.973 3.016 477 HA ARG 60 HA ARG 60 -2.086 2.290 1.354 478 1HB ARG 60 1HB ARG 60 -0.507 0.445 0.725 479 2HB ARG 60 2HB ARG 60 -1.719 -0.707 1.271 480 1HG ARG 60 1HG ARG 60 -1.911 -0.555 -1.081 481 2HG ARG 60 2HG ARG 60 -3.293 0.304 -0.398 482 1HD ARG 60 1HD ARG 60 -1.618 2.356 -0.588 483 2HD ARG 60 2HD ARG 60 -0.930 1.349 -1.861 484 HE ARG 60 HE ARG 60 -2.677 1.985 -3.166 485 1HH1 ARG 60 2HH1 ARG 60 -3.688 2.155 0.161 486 2HH1 ARG 60 1HH1 ARG 60 -5.270 2.753 -0.214 487 1HH2 ARG 60 2HH2 ARG 60 -4.757 2.772 -3.673 488 2HH2 ARG 60 1HH2 ARG 60 -5.877 3.102 -2.395 489 H ARG 61 H ARG 61 -3.032 -0.813 2.846 490 HA ARG 61 HA ARG 61 -5.609 -1.036 2.186 491 1HB ARG 61 1HB ARG 61 -4.169 -1.603 4.724 492 2HB ARG 61 2HB ARG 61 -5.925 -1.687 4.760 493 1HG ARG 61 1HG ARG 61 -5.528 -3.157 2.592 494 2HG ARG 61 2HG ARG 61 -3.968 -3.424 3.374 495 1HD ARG 61 1HD ARG 61 -5.454 -5.162 4.072 496 2HD ARG 61 2HD ARG 61 -5.196 -4.081 5.441 497 HE ARG 61 HE ARG 61 -7.451 -3.117 4.280 498 1HH1 ARG 61 2HH1 ARG 61 -6.469 -6.259 5.415 499 2HH1 ARG 61 1HH1 ARG 61 -8.076 -6.754 5.832 500 1HH2 ARG 61 2HH2 ARG 61 -9.571 -3.758 4.825 501 2HH2 ARG 61 1HH2 ARG 61 -9.840 -5.331 5.495 502 H ASN 62 H ASN 62 -4.545 0.942 4.956 503 HA ASN 62 HA ASN 62 -7.068 2.003 5.566 504 1HB ASN 62 1HB ASN 62 -4.366 3.288 6.022 505 2HB ASN 62 2HB ASN 62 -5.862 3.684 6.863 506 1HD2 ASN 62 1HD2 ASN 62 -6.869 1.920 8.099 507 2HD2 ASN 62 2HD2 ASN 62 -5.835 0.792 8.901 508 H GLN 63 H GLN 63 -4.395 3.439 3.696 509 HA GLN 63 HA GLN 63 -5.523 5.837 3.001 510 1HB GLN 63 1HB GLN 63 -3.214 5.073 2.429 511 2HB GLN 63 2HB GLN 63 -3.901 4.099 1.136 512 1HG GLN 63 1HG GLN 63 -3.151 6.036 0.084 513 2HG GLN 63 2HG GLN 63 -4.891 6.266 0.248 514 1HE2 GLN 63 1HE2 GLN 63 -1.831 6.971 1.880 515 2HE2 GLN 63 2HE2 GLN 63 -2.312 8.513 2.493 516 H ASP 64 H ASP 64 -6.002 2.701 1.425 517 HA ASP 64 HA ASP 64 -7.604 3.618 -0.697 518 1HB ASP 64 1HB ASP 64 -6.482 1.289 -0.273 519 2HB ASP 64 2HB ASP 64 -8.010 0.907 0.516 520 H LYS 65 H LYS 65 -8.507 2.235 2.455 521 HA LYS 65 HA LYS 65 -11.139 3.522 2.157 522 1HB LYS 65 1HB LYS 65 -12.148 1.640 3.366 523 2HB LYS 65 2HB LYS 65 -11.385 1.108 1.873 524 1HG LYS 65 1HG LYS 65 -9.344 0.633 3.437 525 2HG LYS 65 2HG LYS 65 -10.580 0.612 4.696 526 1HD LYS 65 1HD LYS 65 -10.862 -0.997 2.175 527 2HD LYS 65 2HD LYS 65 -9.984 -1.613 3.577 528 1HE LYS 65 1HE LYS 65 -11.876 -1.805 4.848 529 2HE LYS 65 2HE LYS 65 -12.704 -0.494 4.009 530 1HZ LYS 65 1HZ LYS 65 -13.073 -1.934 2.134 531 2HZ LYS 65 2HZ LYS 65 -13.667 -2.680 3.530 532 3HZ LYS 65 3HZ LYS 65 -12.197 -3.186 2.861 533 HA PRO 66 HA PRO 66 -9.112 5.141 5.967 534 1HB PRO 66 1HB PRO 66 -10.059 7.666 5.654 535 2HB PRO 66 2HB PRO 66 -8.578 7.092 4.877 536 1HG PRO 66 1HG PRO 66 -11.333 7.362 3.737 537 2HG PRO 66 2HG PRO 66 -9.773 7.787 3.008 538 1HD PRO 66 1HD PRO 66 -11.093 5.503 2.397 539 2HD PRO 66 2HD PRO 66 -9.321 5.609 2.402 540 H SER 67 H SER 67 -12.384 5.675 4.712 541 HA SER 67 HA SER 67 -14.357 6.127 5.830 542 1HB SER 67 1HB SER 67 -15.011 4.197 7.246 543 2HB SER 67 2HB SER 67 -14.275 3.693 5.725 544 HG SER 67 HG SER 67 -12.611 4.027 7.942 545 H GLY 68 H GLY 68 -12.453 7.818 6.865 546 1HA GLY 68 1HA GLY 68 -13.454 8.142 9.576 547 2HA GLY 68 2HA GLY 68 -11.718 7.909 9.432 548 HA PRO 69 HA PRO 69 -12.950 12.142 7.362 549 1HB PRO 69 1HB PRO 69 -15.247 13.214 8.333 550 2HB PRO 69 2HB PRO 69 -15.199 12.185 6.896 551 1HG PRO 69 1HG PRO 69 -15.929 11.476 9.712 552 2HG PRO 69 2HG PRO 69 -16.716 10.996 8.197 553 1HD PRO 69 1HD PRO 69 -15.027 9.362 9.542 554 2HD PRO 69 2HD PRO 69 -15.172 9.338 7.773 555 H SER 70 H SER 70 -11.182 12.726 8.668 556 HA SER 70 HA SER 70 -11.819 13.814 11.321 557 1HB SER 70 1HB SER 70 -9.977 12.096 11.080 558 2HB SER 70 2HB SER 70 -9.069 13.304 10.172 559 HG SER 70 HG SER 70 -9.695 14.612 12.236 560 H SER 71 H SER 71 -12.400 15.888 11.165 561 HA SER 71 HA SER 71 -11.519 17.650 9.127 562 1HB SER 71 1HB SER 71 -12.740 19.358 10.297 563 2HB SER 71 2HB SER 71 -13.666 17.863 10.431 564 HG SER 71 HG SER 71 -13.619 18.573 12.468 565 H GLY 72 H GLY 72 -9.596 18.573 8.938 566 1HA GLY 72 1HA GLY 72 -7.981 18.960 11.376 567 2HA GLY 72 2HA GLY 72 -7.324 18.743 9.761 Start of MODEL 6 1 1H GLY 1 H GLY 1 -27.425 2.588 -4.188 2 1HA GLY 1 1HA GLY 1 -24.966 2.472 -3.027 3 2HA GLY 1 2HA GLY 1 -24.880 1.244 -4.281 4 H SER 2 H SER 2 -24.528 4.517 -3.568 5 HA SER 2 HA SER 2 -25.214 5.964 -5.745 6 1HB SER 2 1HB SER 2 -22.694 6.057 -4.097 7 2HB SER 2 2HB SER 2 -22.988 7.216 -5.392 8 HG SER 2 HG SER 2 -24.968 6.774 -3.451 9 H SER 3 H SER 3 -24.664 6.151 -7.843 10 HA SER 3 HA SER 3 -23.175 4.044 -9.065 11 1HB SER 3 1HB SER 3 -25.168 5.226 -10.083 12 2HB SER 3 2HB SER 3 -24.105 6.601 -10.382 13 HG SER 3 HG SER 3 -23.765 5.540 -12.183 14 H GLY 4 H GLY 4 -22.689 7.585 -9.069 15 1HA GLY 4 1HA GLY 4 -20.752 8.827 -9.049 16 2HA GLY 4 2HA GLY 4 -19.901 7.374 -8.548 17 H SER 5 H SER 5 -20.773 9.416 -11.195 18 HA SER 5 HA SER 5 -19.684 7.644 -13.207 19 1HB SER 5 1HB SER 5 -21.620 9.243 -13.594 20 2HB SER 5 2HB SER 5 -20.435 10.549 -13.559 21 HG SER 5 HG SER 5 -19.366 8.994 -15.217 22 H SER 6 H SER 6 -17.808 8.163 -11.239 23 HA SER 6 HA SER 6 -15.903 9.939 -12.620 24 1HB SER 6 1HB SER 6 -16.572 10.695 -10.333 25 2HB SER 6 2HB SER 6 -15.897 9.201 -9.685 26 HG SER 6 HG SER 6 -13.888 9.861 -10.219 27 H GLY 7 H GLY 7 -13.756 9.251 -12.845 28 1HA GLY 7 1HA GLY 7 -12.765 6.804 -11.819 29 2HA GLY 7 2HA GLY 7 -13.356 6.565 -13.456 30 H GLY 8 H GLY 8 -10.747 6.074 -12.993 31 1HA GLY 8 1HA GLY 8 -9.401 7.537 -14.904 32 2HA GLY 8 2HA GLY 8 -9.067 8.348 -13.381 33 H ILE 9 H ILE 9 -6.832 7.796 -13.772 34 HA ILE 9 HA ILE 9 -6.080 5.004 -13.697 35 HB ILE 9 HB ILE 9 -4.349 7.477 -13.570 36 1HG1 ILE 9 1HG1 ILE 9 -4.728 5.639 -15.928 37 2HG1 ILE 9 2HG1 ILE 9 -5.761 7.042 -15.672 38 1HG2 ILE 9 1HG2 ILE 9 -2.629 6.140 -13.159 39 2HG2 ILE 9 2HG2 ILE 9 -3.734 4.772 -13.035 40 3HG2 ILE 9 3HG2 ILE 9 -3.007 5.180 -14.589 41 1HD1 ILE 9 1HD1 ILE 9 -3.817 7.354 -17.238 42 2HD1 ILE 9 2HD1 ILE 9 -3.955 8.533 -15.933 43 3HD1 ILE 9 3HD1 ILE 9 -2.770 7.232 -15.825 44 H LYS 10 H LYS 10 -5.481 7.838 -11.615 45 HA LYS 10 HA LYS 10 -4.929 6.002 -9.389 46 1HB LYS 10 1HB LYS 10 -3.287 7.862 -10.126 47 2HB LYS 10 2HB LYS 10 -4.414 8.964 -9.346 48 1HG LYS 10 1HG LYS 10 -2.739 8.488 -7.759 49 2HG LYS 10 2HG LYS 10 -4.162 7.567 -7.265 50 1HD LYS 10 1HD LYS 10 -3.075 5.665 -8.680 51 2HD LYS 10 2HD LYS 10 -1.596 6.604 -8.462 52 1HE LYS 10 1HE LYS 10 -1.640 5.029 -6.700 53 2HE LYS 10 2HE LYS 10 -2.094 6.575 -5.986 54 1HZ LYS 10 1HZ LYS 10 -3.676 5.191 -5.119 55 2HZ LYS 10 2HZ LYS 10 -3.752 4.207 -6.492 56 3HZ LYS 10 3HZ LYS 10 -4.485 5.731 -6.503 57 H ASP 11 H ASP 11 -6.319 5.819 -7.754 58 HA ASP 11 HA ASP 11 -8.621 7.635 -7.686 59 1HB ASP 11 1HB ASP 11 -8.174 4.847 -6.635 60 2HB ASP 11 2HB ASP 11 -9.547 5.823 -6.119 61 H SER 12 H SER 12 -6.313 8.741 -6.705 62 HA SER 12 HA SER 12 -7.026 9.108 -3.902 63 1HB SER 12 1HB SER 12 -4.362 8.112 -4.873 64 2HB SER 12 2HB SER 12 -4.470 9.074 -3.399 65 HG SER 12 HG SER 12 -6.289 7.373 -3.005 66 HA PRO 13 HA PRO 13 -6.362 13.316 -5.049 67 1HB PRO 13 1HB PRO 13 -6.311 14.388 -2.555 68 2HB PRO 13 2HB PRO 13 -7.800 13.841 -3.335 69 1HG PRO 13 1HG PRO 13 -6.100 12.443 -1.306 70 2HG PRO 13 2HG PRO 13 -7.867 12.565 -1.393 71 1HD PRO 13 1HD PRO 13 -6.517 10.365 -2.209 72 2HD PRO 13 2HD PRO 13 -8.031 10.893 -2.971 73 H VAL 14 H VAL 14 -4.188 12.857 -5.860 74 HA VAL 14 HA VAL 14 -1.892 12.960 -5.844 75 HB VAL 14 HB VAL 14 -2.375 15.413 -4.157 76 1HG1 VAL 14 1HG1 VAL 14 -0.268 15.977 -4.616 77 2HG1 VAL 14 2HG1 VAL 14 -0.045 14.315 -5.164 78 3HG1 VAL 14 3HG1 VAL 14 -0.453 15.580 -6.324 79 1HG2 VAL 14 1HG2 VAL 14 -3.930 15.726 -5.851 80 2HG2 VAL 14 2HG2 VAL 14 -2.492 16.515 -6.499 81 3HG2 VAL 14 3HG2 VAL 14 -2.937 14.901 -7.053 82 H ASN 15 H ASN 15 -2.962 11.353 -3.695 83 HA ASN 15 HA ASN 15 -1.279 11.951 -1.397 84 1HB ASN 15 1HB ASN 15 -3.335 9.800 -1.923 85 2HB ASN 15 2HB ASN 15 -2.376 9.879 -0.447 86 1HD2 ASN 15 1HD2 ASN 15 -5.009 9.934 -0.152 87 2HD2 ASN 15 2HD2 ASN 15 -5.566 11.515 0.263 88 H LYS 16 H LYS 16 0.814 11.560 -1.974 89 HA LYS 16 HA LYS 16 1.467 8.918 -3.077 90 1HB LYS 16 1HB LYS 16 3.250 11.346 -2.820 91 2HB LYS 16 2HB LYS 16 3.622 9.858 -3.682 92 1HG LYS 16 1HG LYS 16 1.304 11.619 -4.421 93 2HG LYS 16 2HG LYS 16 2.924 11.835 -5.088 94 1HD LYS 16 1HD LYS 16 2.059 10.462 -6.688 95 2HD LYS 16 2HD LYS 16 2.656 9.236 -5.567 96 1HE LYS 16 1HE LYS 16 0.537 8.455 -5.865 97 2HE LYS 16 2HE LYS 16 0.242 9.556 -4.520 98 1HZ LYS 16 1HZ LYS 16 -0.723 9.675 -7.212 99 2HZ LYS 16 2HZ LYS 16 -0.015 11.131 -6.723 100 3HZ LYS 16 3HZ LYS 16 -1.288 10.468 -5.828 101 H VAL 17 H VAL 17 1.090 7.906 -0.996 102 HA VAL 17 HA VAL 17 2.192 8.442 1.425 103 HB VAL 17 HB VAL 17 2.196 6.069 1.917 104 1HG1 VAL 17 1HG1 VAL 17 -0.107 5.507 1.214 105 2HG1 VAL 17 2HG1 VAL 17 0.037 7.148 1.847 106 3HG1 VAL 17 3HG1 VAL 17 -0.076 6.879 0.108 107 1HG2 VAL 17 1HG2 VAL 17 2.097 5.759 -1.072 108 2HG2 VAL 17 2HG2 VAL 17 3.285 5.106 0.055 109 3HG2 VAL 17 3HG2 VAL 17 1.643 4.463 0.034 110 H GLU 18 H GLU 18 3.811 6.634 -1.184 111 HA GLU 18 HA GLU 18 6.367 7.704 -0.464 112 1HB GLU 18 1HB GLU 18 5.583 4.973 0.409 113 2HB GLU 18 2HB GLU 18 7.203 5.172 -0.244 114 1HG GLU 18 1HG GLU 18 5.997 6.480 2.170 115 2HG GLU 18 2HG GLU 18 7.402 5.419 2.083 116 HA PRO 19 HA PRO 19 7.308 6.768 -4.644 117 1HB PRO 19 1HB PRO 19 9.955 6.173 -4.543 118 2HB PRO 19 2HB PRO 19 9.330 7.813 -4.330 119 1HG PRO 19 1HG PRO 19 10.183 5.826 -2.259 120 2HG PRO 19 2HG PRO 19 10.511 7.567 -2.342 121 1HD PRO 19 1HD PRO 19 8.581 6.522 -0.756 122 2HD PRO 19 2HD PRO 19 8.437 8.125 -1.505 123 H ASN 20 H ASN 20 7.128 4.389 -2.382 124 HA ASN 20 HA ASN 20 8.243 2.226 -3.946 125 1HB ASN 20 1HB ASN 20 6.957 2.484 -1.265 126 2HB ASN 20 2HB ASN 20 6.945 0.903 -2.043 127 1HD2 ASN 20 1HD2 ASN 20 9.408 3.426 -2.168 128 2HD2 ASN 20 2HD2 ASN 20 10.664 2.484 -1.447 129 H ASP 21 H ASP 21 5.984 3.899 -4.968 130 HA ASP 21 HA ASP 21 3.513 2.801 -4.964 131 1HB ASP 21 1HB ASP 21 3.275 3.526 -7.320 132 2HB ASP 21 2HB ASP 21 4.055 4.747 -6.317 133 H THR 22 H THR 22 6.303 1.578 -6.765 134 HA THR 22 HA THR 22 5.381 -0.307 -8.400 135 HB THR 22 HB THR 22 7.623 -0.562 -6.409 136 HG1 THR 22 1HG THR 22 8.755 -0.511 -8.551 137 1HG2 THR 22 1HG2 THR 22 6.475 -2.635 -8.187 138 2HG2 THR 22 2HG2 THR 22 7.363 -2.806 -6.672 139 3HG2 THR 22 3HG2 THR 22 8.231 -2.486 -8.173 140 H LEU 23 H LEU 23 5.204 -0.483 -4.898 141 HA LEU 23 HA LEU 23 4.371 -3.182 -4.719 142 1HB LEU 23 1HB LEU 23 4.207 -0.813 -2.898 143 2HB LEU 23 2HB LEU 23 3.398 -2.321 -2.476 144 HG LEU 23 HG LEU 23 5.446 -3.480 -2.284 145 1HD1 LEU 23 1HD1 LEU 23 6.521 -2.586 -4.293 146 2HD1 LEU 23 2HD1 LEU 23 7.600 -2.534 -2.899 147 3HD1 LEU 23 3HD1 LEU 23 6.809 -1.060 -3.457 148 1HD2 LEU 23 1HD2 LEU 23 5.580 -2.529 -0.275 149 2HD2 LEU 23 2HD2 LEU 23 5.074 -0.960 -0.901 150 3HD2 LEU 23 3HD2 LEU 23 6.772 -1.434 -0.974 151 H GLU 24 H GLU 24 2.545 -0.127 -4.682 152 HA GLU 24 HA GLU 24 0.011 -0.833 -4.271 153 1HB GLU 24 1HB GLU 24 0.572 1.418 -4.937 154 2HB GLU 24 2HB GLU 24 1.003 0.877 -6.554 155 1HG GLU 24 1HG GLU 24 -1.071 1.699 -6.967 156 2HG GLU 24 2HG GLU 24 -1.491 0.034 -6.569 157 H LYS 25 H LYS 25 1.791 -1.548 -7.237 158 HA LYS 25 HA LYS 25 -0.399 -2.724 -8.612 159 1HB LYS 25 1HB LYS 25 2.568 -2.675 -8.991 160 2HB LYS 25 2HB LYS 25 1.609 -3.824 -9.915 161 1HG LYS 25 1HG LYS 25 0.496 -2.155 -11.079 162 2HG LYS 25 2HG LYS 25 0.884 -0.922 -9.877 163 1HD LYS 25 1HD LYS 25 3.072 -2.267 -11.413 164 2HD LYS 25 2HD LYS 25 2.153 -0.951 -12.148 165 1HE LYS 25 1HE LYS 25 2.723 0.479 -10.220 166 2HE LYS 25 2HE LYS 25 3.697 -0.833 -9.559 167 1HZ LYS 25 1HZ LYS 25 5.175 -0.702 -11.397 168 2HZ LYS 25 2HZ LYS 25 4.973 0.872 -10.811 169 3HZ LYS 25 3HZ LYS 25 4.174 0.386 -12.221 170 H VAL 26 H VAL 26 2.546 -4.344 -7.416 171 HA VAL 26 HA VAL 26 1.756 -6.939 -7.580 172 HB VAL 26 HB VAL 26 3.939 -5.786 -6.565 173 1HG1 VAL 26 1HG1 VAL 26 2.546 -6.857 -4.116 174 2HG1 VAL 26 2HG1 VAL 26 4.158 -6.144 -4.201 175 3HG1 VAL 26 3HG1 VAL 26 2.733 -5.143 -4.487 176 1HG2 VAL 26 1HG2 VAL 26 4.737 -7.967 -6.021 177 2HG2 VAL 26 2HG2 VAL 26 3.101 -8.557 -5.728 178 3HG2 VAL 26 3HG2 VAL 26 3.607 -8.139 -7.365 179 H PHE 27 H PHE 27 0.861 -4.620 -5.090 180 HA PHE 27 HA PHE 27 -0.269 -6.300 -3.203 181 1HB PHE 27 1HB PHE 27 -0.013 -3.951 -2.743 182 2HB PHE 27 2HB PHE 27 -1.100 -3.524 -4.060 183 HD1 PHE 27 1HD PHE 27 -0.842 -3.958 -0.606 184 HD2 PHE 27 2HD PHE 27 -3.514 -4.584 -3.859 185 HE1 PHE 27 1HE PHE 27 -2.738 -3.983 0.962 186 HE2 PHE 27 2HE PHE 27 -5.415 -4.609 -2.297 187 HZ PHE 27 HZ PHE 27 -5.029 -4.307 0.116 188 H VAL 28 H VAL 28 -1.795 -4.858 -6.068 189 HA VAL 28 HA VAL 28 -4.099 -6.644 -5.677 190 HB VAL 28 HB VAL 28 -4.743 -4.323 -5.832 191 1HG1 VAL 28 1HG1 VAL 28 -4.325 -3.190 -8.127 192 2HG1 VAL 28 2HG1 VAL 28 -3.035 -3.201 -6.923 193 3HG1 VAL 28 3HG1 VAL 28 -3.001 -4.347 -8.264 194 1HG2 VAL 28 1HG2 VAL 28 -5.870 -6.314 -7.235 195 2HG2 VAL 28 2HG2 VAL 28 -6.512 -4.672 -7.199 196 3HG2 VAL 28 3HG2 VAL 28 -5.504 -5.195 -8.549 197 H SER 29 H SER 29 -1.274 -6.809 -7.154 198 HA SER 29 HA SER 29 -2.296 -7.857 -9.700 199 1HB SER 29 1HB SER 29 -0.316 -6.145 -9.467 200 2HB SER 29 2HB SER 29 0.628 -7.587 -9.094 201 HG SER 29 HG SER 29 0.757 -7.673 -11.205 202 H VAL 30 H VAL 30 -0.114 -8.708 -7.026 203 HA VAL 30 HA VAL 30 -0.296 -11.527 -7.841 204 HB VAL 30 HB VAL 30 1.739 -11.949 -6.830 205 1HG1 VAL 30 1HG1 VAL 30 2.128 -10.519 -8.725 206 2HG1 VAL 30 2HG1 VAL 30 1.882 -9.077 -7.738 207 3HG1 VAL 30 3HG1 VAL 30 3.283 -10.111 -7.457 208 1HG2 VAL 30 1HG2 VAL 30 1.387 -9.437 -5.196 209 2HG2 VAL 30 2HG2 VAL 30 1.174 -11.091 -4.624 210 3HG2 VAL 30 3HG2 VAL 30 2.771 -10.527 -5.115 211 H THR 31 H THR 31 -0.515 -9.407 -5.003 212 HA THR 31 HA THR 31 -2.684 -10.810 -3.877 213 HB THR 31 HB THR 31 -0.978 -12.529 -3.416 214 HG1 THR 31 1HG THR 31 -1.355 -12.529 -1.067 215 1HG2 THR 31 1HG2 THR 31 0.660 -10.335 -2.843 216 2HG2 THR 31 2HG2 THR 31 1.065 -12.042 -2.663 217 3HG2 THR 31 3HG2 THR 31 0.405 -11.143 -1.297 218 H LYS 32 H LYS 32 -3.438 -9.869 -1.918 219 HA LYS 32 HA LYS 32 -2.619 -7.117 -1.611 220 1HB LYS 32 1HB LYS 32 -4.748 -8.700 -0.159 221 2HB LYS 32 2HB LYS 32 -4.525 -6.958 -0.062 222 1HG LYS 32 1HG LYS 32 -5.024 -6.761 -2.446 223 2HG LYS 32 2HG LYS 32 -5.253 -8.508 -2.540 224 1HD LYS 32 1HD LYS 32 -7.189 -8.438 -1.219 225 2HD LYS 32 2HD LYS 32 -6.827 -6.817 -0.622 226 1HE LYS 32 1HE LYS 32 -8.624 -6.704 -2.230 227 2HE LYS 32 2HE LYS 32 -7.186 -5.933 -2.898 228 1HZ LYS 32 1HZ LYS 32 -8.132 -7.279 -4.585 229 2HZ LYS 32 2HZ LYS 32 -8.256 -8.618 -3.560 230 3HZ LYS 32 3HZ LYS 32 -6.734 -8.074 -4.060 231 H TYR 33 H TYR 33 -2.490 -10.094 0.266 232 HA TYR 33 HA TYR 33 -0.903 -8.678 2.305 233 1HB TYR 33 1HB TYR 33 -2.639 -11.139 2.520 234 2HB TYR 33 2HB TYR 33 -1.508 -10.652 3.777 235 HD1 TYR 33 1HD TYR 33 -2.320 -9.364 5.511 236 HD2 TYR 33 2HD TYR 33 -4.285 -9.194 1.740 237 HE1 TYR 33 1HE TYR 33 -4.025 -7.876 6.473 238 HE2 TYR 33 2HE TYR 33 -5.994 -7.704 2.692 239 HH TYR 33 HH TYR 33 -6.918 -7.315 5.179 240 HA PRO 34 HA PRO 34 2.092 -11.396 0.100 241 1HB PRO 34 1HB PRO 34 4.157 -9.647 0.314 242 2HB PRO 34 2HB PRO 34 2.966 -9.571 -0.989 243 1HG PRO 34 1HG PRO 34 3.115 -7.971 1.536 244 2HG PRO 34 2HG PRO 34 2.742 -7.430 -0.111 245 1HD PRO 34 1HD PRO 34 0.823 -7.865 1.749 246 2HD PRO 34 2HD PRO 34 0.554 -8.141 0.016 247 H ASP 35 H ASP 35 4.248 -12.167 0.863 248 HA ASP 35 HA ASP 35 4.496 -12.013 3.793 249 1HB ASP 35 1HB ASP 35 3.527 -14.207 2.666 250 2HB ASP 35 2HB ASP 35 5.233 -14.536 2.375 251 H GLU 36 H GLU 36 6.700 -12.947 4.497 252 HA GLU 36 HA GLU 36 8.744 -11.345 3.805 253 1HB GLU 36 1HB GLU 36 8.798 -13.051 5.618 254 2HB GLU 36 2HB GLU 36 9.093 -14.287 4.404 255 1HG GLU 36 1HG GLU 36 11.211 -13.364 3.856 256 2HG GLU 36 2HG GLU 36 10.897 -11.921 4.820 257 H LYS 37 H LYS 37 7.930 -14.381 2.169 258 HA LYS 37 HA LYS 37 9.987 -14.702 0.427 259 1HB LYS 37 1HB LYS 37 8.422 -15.741 -1.119 260 2HB LYS 37 2HB LYS 37 8.019 -16.181 0.535 261 1HG LYS 37 1HG LYS 37 6.345 -14.238 0.430 262 2HG LYS 37 2HG LYS 37 6.581 -14.320 -1.317 263 1HD LYS 37 1HD LYS 37 5.816 -16.585 -1.383 264 2HD LYS 37 2HD LYS 37 5.794 -16.684 0.380 265 1HE LYS 37 1HE LYS 37 3.885 -15.410 0.559 266 2HE LYS 37 2HE LYS 37 4.155 -14.597 -0.982 267 1HZ LYS 37 1HZ LYS 37 2.364 -16.521 -0.646 268 2HZ LYS 37 2HZ LYS 37 3.690 -17.464 -1.108 269 3HZ LYS 37 3HZ LYS 37 3.134 -16.230 -2.124 270 H ARG 38 H ARG 38 7.151 -12.627 -0.172 271 HA ARG 38 HA ARG 38 8.207 -11.547 -2.586 272 1HB ARG 38 1HB ARG 38 5.736 -11.662 -1.653 273 2HB ARG 38 2HB ARG 38 6.148 -10.087 -0.990 274 1HG ARG 38 1HG ARG 38 6.293 -9.101 -3.052 275 2HG ARG 38 2HG ARG 38 6.683 -10.616 -3.869 276 1HD ARG 38 1HD ARG 38 3.995 -10.077 -2.632 277 2HD ARG 38 2HD ARG 38 4.377 -9.652 -4.300 278 HE ARG 38 HE ARG 38 3.717 -12.224 -3.326 279 1HH1 ARG 38 2HH1 ARG 38 5.815 -10.607 -5.586 280 2HH1 ARG 38 1HH1 ARG 38 5.927 -11.966 -6.654 281 1HH2 ARG 38 2HH2 ARG 38 3.857 -14.020 -4.725 282 2HH2 ARG 38 1HH2 ARG 38 4.812 -13.907 -6.164 283 H LEU 39 H LEU 39 7.933 -10.309 0.732 284 HA LEU 39 HA LEU 39 8.891 -7.765 0.434 285 1HB LEU 39 1HB LEU 39 9.106 -9.785 2.609 286 2HB LEU 39 2HB LEU 39 10.044 -8.299 2.746 287 HG LEU 39 HG LEU 39 8.034 -7.996 3.978 288 1HD1 LEU 39 1HD1 LEU 39 8.847 -6.271 2.098 289 2HD1 LEU 39 2HD1 LEU 39 7.480 -5.961 3.168 290 3HD1 LEU 39 3HD1 LEU 39 7.201 -6.564 1.534 291 1HD2 LEU 39 1HD2 LEU 39 5.882 -8.500 3.249 292 2HD2 LEU 39 2HD2 LEU 39 6.844 -9.854 2.657 293 3HD2 LEU 39 3HD2 LEU 39 6.365 -8.563 1.554 294 H LYS 40 H LYS 40 10.712 -10.765 0.418 295 HA LYS 40 HA LYS 40 13.298 -9.789 0.687 296 1HB LYS 40 1HB LYS 40 12.255 -12.117 -0.929 297 2HB LYS 40 2HB LYS 40 13.966 -11.806 -0.667 298 1HG LYS 40 1HG LYS 40 12.197 -11.975 1.711 299 2HG LYS 40 2HG LYS 40 12.605 -13.467 0.860 300 1HD LYS 40 1HD LYS 40 15.042 -12.580 1.011 301 2HD LYS 40 2HD LYS 40 14.402 -11.548 2.292 302 1HE LYS 40 1HE LYS 40 13.824 -13.378 3.632 303 2HE LYS 40 2HE LYS 40 13.925 -14.510 2.285 304 1HZ LYS 40 1HZ LYS 40 15.901 -14.957 3.247 305 2HZ LYS 40 2HZ LYS 40 16.043 -13.433 3.967 306 3HZ LYS 40 3HZ LYS 40 16.416 -13.633 2.329 307 H GLY 41 H GLY 41 11.533 -10.424 -2.353 308 1HA GLY 41 1HA GLY 41 13.449 -9.435 -4.109 309 2HA GLY 41 2HA GLY 41 11.722 -9.467 -4.430 310 H LEU 42 H LEU 42 10.477 -7.664 -3.259 311 HA LEU 42 HA LEU 42 11.109 -5.225 -4.283 312 1HB LEU 42 1HB LEU 42 9.602 -5.941 -1.787 313 2HB LEU 42 2HB LEU 42 9.745 -4.274 -2.343 314 HG LEU 42 HG LEU 42 8.540 -6.492 -3.992 315 1HD1 LEU 42 1HD1 LEU 42 6.858 -6.399 -2.513 316 2HD1 LEU 42 2HD1 LEU 42 6.473 -4.870 -3.302 317 3HD1 LEU 42 3HD1 LEU 42 7.419 -4.880 -1.814 318 1HD2 LEU 42 1HD2 LEU 42 7.531 -4.485 -5.161 319 2HD2 LEU 42 2HD2 LEU 42 9.260 -4.740 -5.399 320 3HD2 LEU 42 3HD2 LEU 42 8.697 -3.502 -4.275 321 H SER 43 H SER 43 11.949 -6.377 -1.025 322 HA SER 43 HA SER 43 13.126 -4.229 0.105 323 1HB SER 43 1HB SER 43 13.077 -6.326 1.281 324 2HB SER 43 2HB SER 43 14.141 -7.078 0.093 325 HG SER 43 HG SER 43 14.788 -5.030 1.943 326 H LYS 44 H LYS 44 14.462 -6.176 -2.498 327 HA LYS 44 HA LYS 44 16.949 -4.675 -2.512 328 1HB LYS 44 1HB LYS 44 16.894 -7.122 -2.981 329 2HB LYS 44 2HB LYS 44 15.977 -6.788 -4.444 330 1HG LYS 44 1HG LYS 44 18.181 -7.059 -5.164 331 2HG LYS 44 2HG LYS 44 17.931 -5.312 -5.138 332 1HD LYS 44 1HD LYS 44 19.099 -5.123 -3.045 333 2HD LYS 44 2HD LYS 44 19.210 -6.878 -2.900 334 1HE LYS 44 1HE LYS 44 20.353 -5.554 -5.312 335 2HE LYS 44 2HE LYS 44 21.235 -5.451 -3.789 336 1HZ LYS 44 1HZ LYS 44 21.904 -7.354 -5.172 337 2HZ LYS 44 2HZ LYS 44 20.342 -7.988 -5.046 338 3HZ LYS 44 3HZ LYS 44 21.304 -7.831 -3.664 339 H GLN 45 H GLN 45 14.142 -5.150 -4.636 340 HA GLN 45 HA GLN 45 14.857 -3.609 -6.788 341 1HB GLN 45 1HB GLN 45 12.761 -4.919 -6.609 342 2HB GLN 45 2HB GLN 45 12.114 -3.698 -5.521 343 1HG GLN 45 1HG GLN 45 11.768 -2.190 -7.187 344 2HG GLN 45 2HG GLN 45 13.093 -2.807 -8.173 345 1HE2 GLN 45 1HE2 GLN 45 9.840 -3.550 -7.035 346 2HE2 GLN 45 2HE2 GLN 45 9.376 -4.486 -8.411 347 H LEU 46 H LEU 46 12.941 -2.405 -4.026 348 HA LEU 46 HA LEU 46 13.638 0.329 -4.753 349 1HB LEU 46 1HB LEU 46 11.823 -0.733 -2.592 350 2HB LEU 46 2HB LEU 46 12.033 0.967 -3.008 351 HG LEU 46 HG LEU 46 11.100 -0.933 -5.111 352 1HD1 LEU 46 1HD1 LEU 46 9.013 -1.193 -4.310 353 2HD1 LEU 46 2HD1 LEU 46 9.001 0.386 -3.524 354 3HD1 LEU 46 3HD1 LEU 46 9.804 -0.979 -2.748 355 1HD2 LEU 46 1HD2 LEU 46 11.376 1.903 -4.750 356 2HD2 LEU 46 2HD2 LEU 46 9.697 1.493 -5.103 357 3HD2 LEU 46 3HD2 LEU 46 10.978 0.993 -6.208 358 H ASP 47 H ASP 47 15.613 -1.574 -3.622 359 HA ASP 47 HA ASP 47 17.127 -1.763 -1.891 360 1HB ASP 47 1HB ASP 47 17.038 1.187 -2.526 361 2HB ASP 47 2HB ASP 47 18.257 0.473 -1.474 362 H TRP 48 H TRP 48 14.543 -1.830 -0.843 363 HA TRP 48 HA TRP 48 14.727 -0.160 1.571 364 1HB TRP 48 1HB TRP 48 12.457 -1.321 0.038 365 2HB TRP 48 2HB TRP 48 12.270 -1.197 1.785 366 HD1 TRP 48 HD TRP 48 14.280 1.540 0.121 367 HE1 TRP 48 1HE TRP 48 12.914 3.721 0.129 368 HE3 TRP 48 3HE TRP 48 9.779 -0.326 1.671 369 HZ2 TRP 48 2HZ TRP 48 10.277 4.542 0.715 370 HZ3 TRP 48 3HZ TRP 48 7.886 1.224 1.930 371 HH2 TRP 48 HH TRP 48 8.132 3.608 1.462 372 H SER 49 H SER 49 13.394 -1.445 3.434 373 HA SER 49 HA SER 49 14.825 -4.003 3.735 374 1HB SER 49 1HB SER 49 13.866 -2.117 5.902 375 2HB SER 49 2HB SER 49 14.762 -3.615 6.155 376 HG SER 49 HG SER 49 16.558 -2.694 5.405 377 H VAL 50 H VAL 50 13.753 -5.758 4.704 378 HA VAL 50 HA VAL 50 11.166 -6.262 3.894 379 HB VAL 50 HB VAL 50 12.585 -8.084 4.536 380 1HG1 VAL 50 1HG1 VAL 50 13.771 -8.219 6.434 381 2HG1 VAL 50 2HG1 VAL 50 13.391 -6.504 6.609 382 3HG1 VAL 50 3HG1 VAL 50 12.409 -7.715 7.435 383 1HG2 VAL 50 1HG2 VAL 50 10.217 -7.849 6.389 384 2HG2 VAL 50 2HG2 VAL 50 10.217 -8.511 4.755 385 3HG2 VAL 50 3HG2 VAL 50 11.084 -9.346 6.044 386 H ARG 51 H ARG 51 12.296 -4.810 6.887 387 HA ARG 51 HA ARG 51 9.692 -4.831 8.117 388 1HB ARG 51 1HB ARG 51 10.784 -3.462 9.874 389 2HB ARG 51 2HB ARG 51 11.640 -4.962 9.540 390 1HG ARG 51 1HG ARG 51 13.354 -3.836 8.368 391 2HG ARG 51 2HG ARG 51 12.424 -2.337 8.309 392 1HD ARG 51 1HD ARG 51 14.043 -2.025 9.995 393 2HD ARG 51 2HD ARG 51 12.525 -2.334 10.838 394 HE ARG 51 HE ARG 51 13.971 -4.741 10.455 395 1HH1 ARG 51 2HH1 ARG 51 13.913 -1.839 12.377 396 2HH1 ARG 51 1HH1 ARG 51 14.692 -2.570 13.740 397 1HH2 ARG 51 2HH2 ARG 51 14.999 -5.715 12.243 398 2HH2 ARG 51 1HH2 ARG 51 15.310 -4.775 13.663 399 H LYS 52 H LYS 52 11.693 -2.536 6.359 400 HA LYS 52 HA LYS 52 10.143 -0.231 6.876 401 1HB LYS 52 1HB LYS 52 12.473 -0.212 5.995 402 2HB LYS 52 2HB LYS 52 11.863 -0.810 4.457 403 1HG LYS 52 1HG LYS 52 10.582 1.202 4.129 404 2HG LYS 52 2HG LYS 52 11.038 1.792 5.729 405 1HD LYS 52 1HD LYS 52 13.437 1.681 4.956 406 2HD LYS 52 2HD LYS 52 12.816 1.384 3.331 407 1HE LYS 52 1HE LYS 52 13.065 3.662 3.276 408 2HE LYS 52 2HE LYS 52 11.395 3.535 3.827 409 1HZ LYS 52 1HZ LYS 52 13.574 4.746 5.119 410 2HZ LYS 52 2HZ LYS 52 13.035 3.462 6.079 411 3HZ LYS 52 3HZ LYS 52 11.958 4.682 5.617 412 H ILE 53 H ILE 53 10.169 -2.491 4.129 413 HA ILE 53 HA ILE 53 8.170 -1.261 2.616 414 HB ILE 53 HB ILE 53 8.901 -4.185 2.791 415 1HG1 ILE 53 1HG1 ILE 53 9.606 -2.201 0.631 416 2HG1 ILE 53 2HG1 ILE 53 10.634 -2.464 2.035 417 1HG2 ILE 53 1HG2 ILE 53 7.855 -3.835 0.307 418 2HG2 ILE 53 2HG2 ILE 53 6.972 -4.490 1.685 419 3HG2 ILE 53 3HG2 ILE 53 6.821 -2.782 1.273 420 1HD1 ILE 53 1HD1 ILE 53 10.793 -3.812 -0.331 421 2HD1 ILE 53 2HD1 ILE 53 11.454 -4.362 1.210 422 3HD1 ILE 53 3HD1 ILE 53 9.871 -4.926 0.678 423 H GLN 54 H GLN 54 7.877 -3.975 4.910 424 HA GLN 54 HA GLN 54 5.274 -4.598 4.833 425 1HB GLN 54 1HB GLN 54 7.008 -4.155 7.255 426 2HB GLN 54 2HB GLN 54 5.372 -4.787 7.385 427 1HG GLN 54 1HG GLN 54 7.240 -6.116 5.500 428 2HG GLN 54 2HG GLN 54 7.473 -6.369 7.230 429 1HE2 GLN 54 1HE2 GLN 54 6.682 -8.282 7.730 430 2HE2 GLN 54 2HE2 GLN 54 5.152 -8.911 7.233 431 H CYS 55 H CYS 55 6.560 -1.759 6.540 432 HA CYS 55 HA CYS 55 4.218 -0.769 7.614 433 1HB CYS 55 1HB CYS 55 6.650 0.096 7.825 434 2HB CYS 55 2HB CYS 55 6.273 1.062 6.404 435 HG CYS 55 HG CYS 55 4.928 1.301 9.526 436 H TRP 56 H TRP 56 5.542 -0.245 4.368 437 HA TRP 56 HA TRP 56 3.686 1.600 3.435 438 1HB TRP 56 1HB TRP 56 5.806 0.778 2.285 439 2HB TRP 56 2HB TRP 56 4.859 -0.603 1.738 440 HD1 TRP 56 HD TRP 56 5.372 3.113 1.111 441 HE1 TRP 56 1HE TRP 56 4.110 3.782 -1.030 442 HE3 TRP 56 3HE TRP 56 2.779 -1.220 0.310 443 HZ2 TRP 56 2HZ TRP 56 2.260 2.626 -2.821 444 HZ3 TRP 56 3HZ TRP 56 1.284 -1.356 -1.639 445 HH2 TRP 56 HH TRP 56 1.031 0.528 -3.171 446 H PHE 57 H PHE 57 3.608 -1.943 3.006 447 HA PHE 57 HA PHE 57 1.114 -2.095 1.781 448 1HB PHE 57 1HB PHE 57 2.792 -4.005 3.349 449 2HB PHE 57 2HB PHE 57 1.131 -4.456 2.981 450 HD1 PHE 57 1HD PHE 57 4.461 -3.875 1.632 451 HD2 PHE 57 2HD PHE 57 0.422 -4.819 0.679 452 HE1 PHE 57 1HE PHE 57 5.166 -4.616 -0.606 453 HE2 PHE 57 2HE PHE 57 1.120 -5.562 -1.560 454 HZ PHE 57 HZ PHE 57 3.495 -5.462 -2.205 455 H ARG 58 H ARG 58 1.973 -1.928 5.185 456 HA ARG 58 HA ARG 58 -0.615 -2.520 6.196 457 1HB ARG 58 1HB ARG 58 1.288 -2.793 7.635 458 2HB ARG 58 2HB ARG 58 1.758 -1.112 7.420 459 1HG ARG 58 1HG ARG 58 0.191 -0.339 8.880 460 2HG ARG 58 2HG ARG 58 -0.926 -1.666 8.556 461 1HD ARG 58 1HD ARG 58 1.684 -2.067 9.992 462 2HD ARG 58 2HD ARG 58 0.199 -1.633 10.838 463 HE ARG 58 HE ARG 58 -0.193 -3.897 9.167 464 1HH1 ARG 58 2HH1 ARG 58 1.182 -2.898 12.206 465 2HH1 ARG 58 1HH1 ARG 58 0.998 -4.453 12.949 466 1HH2 ARG 58 2HH2 ARG 58 -0.440 -5.948 10.134 467 2HH2 ARG 58 1HH2 ARG 58 0.076 -6.187 11.769 468 H HIS 59 H HIS 59 1.041 0.458 5.307 469 HA HIS 59 HA HIS 59 -0.942 2.216 6.345 470 1HB HIS 59 1HB HIS 59 1.539 2.687 5.668 471 2HB HIS 59 2HB HIS 59 0.859 2.964 4.067 472 HD1 HIS 59 1HD HIS 59 -0.545 5.088 3.726 473 HD2 HIS 59 2HD HIS 59 0.881 4.624 7.601 474 HE1 HIS 59 1HE HIS 59 -0.942 7.298 4.858 475 HE2 HIS 59 2HE HIS 59 0.007 7.020 7.175 476 H ARG 60 H ARG 60 -0.556 0.466 3.367 477 HA ARG 60 HA ARG 60 -2.333 1.984 1.772 478 1HB ARG 60 1HB ARG 60 -1.066 -0.696 1.612 479 2HB ARG 60 2HB ARG 60 -2.510 -0.444 0.640 480 1HG ARG 60 1HG ARG 60 -0.054 1.296 0.555 481 2HG ARG 60 2HG ARG 60 -0.422 0.002 -0.586 482 1HD ARG 60 1HD ARG 60 -1.782 2.639 -0.206 483 2HD ARG 60 2HD ARG 60 -1.178 1.899 -1.688 484 HE ARG 60 HE ARG 60 -3.746 1.455 -0.435 485 1HH1 ARG 60 2HH1 ARG 60 -1.385 0.306 -2.722 486 2HH1 ARG 60 1HH1 ARG 60 -2.524 -0.642 -3.619 487 1HH2 ARG 60 2HH2 ARG 60 -5.255 0.210 -1.609 488 2HH2 ARG 60 1HH2 ARG 60 -4.725 -0.695 -2.986 489 H ARG 61 H ARG 61 -2.875 -1.280 3.109 490 HA ARG 61 HA ARG 61 -5.503 -1.621 2.684 491 1HB ARG 61 1HB ARG 61 -4.251 -2.192 5.372 492 2HB ARG 61 2HB ARG 61 -5.614 -3.025 4.636 493 1HG ARG 61 1HG ARG 61 -4.005 -3.693 2.784 494 2HG ARG 61 2HG ARG 61 -2.720 -3.141 3.860 495 1HD ARG 61 1HD ARG 61 -4.761 -5.014 4.942 496 2HD ARG 61 2HD ARG 61 -3.540 -5.655 3.844 497 HE ARG 61 HE ARG 61 -1.950 -5.362 5.479 498 1HH1 ARG 61 2HH1 ARG 61 -4.887 -3.731 6.390 499 2HH1 ARG 61 1HH1 ARG 61 -4.361 -3.410 8.009 500 1HH2 ARG 61 2HH2 ARG 61 -1.245 -4.945 7.608 501 2HH2 ARG 61 1HH2 ARG 61 -2.289 -4.100 8.701 502 H ASN 62 H ASN 62 -4.123 0.381 5.254 503 HA ASN 62 HA ASN 62 -6.627 1.073 6.418 504 1HB ASN 62 1HB ASN 62 -3.834 2.162 6.649 505 2HB ASN 62 2HB ASN 62 -5.187 2.984 7.419 506 1HD2 ASN 62 1HD2 ASN 62 -3.799 -0.263 7.103 507 2HD2 ASN 62 2HD2 ASN 62 -4.072 -0.725 8.745 508 H GLN 63 H GLN 63 -4.466 2.670 4.109 509 HA GLN 63 HA GLN 63 -5.910 5.069 3.876 510 1HB GLN 63 1HB GLN 63 -3.583 4.714 3.065 511 2HB GLN 63 2HB GLN 63 -4.223 3.729 1.757 512 1HG GLN 63 1HG GLN 63 -3.862 5.818 0.797 513 2HG GLN 63 2HG GLN 63 -5.596 5.770 1.110 514 1HE2 GLN 63 1HE2 GLN 63 -2.557 7.181 1.997 515 2HE2 GLN 63 2HE2 GLN 63 -3.196 8.454 2.973 516 H ASP 64 H ASP 64 -5.842 2.306 1.617 517 HA ASP 64 HA ASP 64 -7.693 2.981 -0.203 518 1HB ASP 64 1HB ASP 64 -6.626 0.821 -0.289 519 2HB ASP 64 2HB ASP 64 -7.439 0.309 1.188 520 H LYS 65 H LYS 65 -8.472 1.670 3.007 521 HA LYS 65 HA LYS 65 -11.256 1.665 2.736 522 1HB LYS 65 1HB LYS 65 -9.685 0.724 4.617 523 2HB LYS 65 2HB LYS 65 -9.967 2.290 5.366 524 1HG LYS 65 1HG LYS 65 -12.311 1.896 5.493 525 2HG LYS 65 2HG LYS 65 -12.177 0.443 4.499 526 1HD LYS 65 1HD LYS 65 -11.010 -0.720 6.221 527 2HD LYS 65 2HD LYS 65 -10.821 0.755 7.172 528 1HE LYS 65 1HE LYS 65 -13.534 -0.311 6.464 529 2HE LYS 65 2HE LYS 65 -12.647 -0.923 7.859 530 1HZ LYS 65 1HZ LYS 65 -13.716 1.785 7.395 531 2HZ LYS 65 2HZ LYS 65 -12.444 1.542 8.482 532 3HZ LYS 65 3HZ LYS 65 -13.929 0.773 8.734 533 HA PRO 66 HA PRO 66 -12.295 5.949 2.738 534 1HB PRO 66 1HB PRO 66 -14.894 5.731 3.491 535 2HB PRO 66 2HB PRO 66 -14.322 5.297 1.876 536 1HG PRO 66 1HG PRO 66 -14.898 3.528 4.221 537 2HG PRO 66 2HG PRO 66 -15.306 3.288 2.512 538 1HD PRO 66 1HD PRO 66 -13.197 2.066 3.691 539 2HD PRO 66 2HD PRO 66 -13.190 2.544 1.981 540 H SER 67 H SER 67 -12.220 3.990 5.510 541 HA SER 67 HA SER 67 -13.351 5.238 7.580 542 1HB SER 67 1HB SER 67 -11.676 4.386 8.990 543 2HB SER 67 2HB SER 67 -11.608 3.328 7.581 544 HG SER 67 HG SER 67 -9.795 4.385 6.881 545 H GLY 68 H GLY 68 -13.493 7.243 8.330 546 1HA GLY 68 1HA GLY 68 -11.578 9.006 9.021 547 2HA GLY 68 2HA GLY 68 -11.734 9.298 7.295 548 HA PRO 69 HA PRO 69 -15.886 10.536 9.520 549 1HB PRO 69 1HB PRO 69 -15.578 11.188 12.137 550 2HB PRO 69 2HB PRO 69 -16.006 9.561 11.597 551 1HG PRO 69 1HG PRO 69 -13.337 10.647 12.406 552 2HG PRO 69 2HG PRO 69 -14.082 9.091 12.815 553 1HD PRO 69 1HD PRO 69 -12.207 9.345 10.878 554 2HD PRO 69 2HD PRO 69 -13.512 8.144 10.792 555 H SER 70 H SER 70 -12.768 11.892 10.422 556 HA SER 70 HA SER 70 -13.483 14.504 11.005 557 1HB SER 70 1HB SER 70 -11.153 13.304 11.035 558 2HB SER 70 2HB SER 70 -11.009 13.952 9.401 559 HG SER 70 HG SER 70 -11.825 15.679 11.440 560 H SER 71 H SER 71 -13.045 16.451 9.627 561 HA SER 71 HA SER 71 -13.653 16.042 6.794 562 1HB SER 71 1HB SER 71 -15.324 17.616 8.744 563 2HB SER 71 2HB SER 71 -15.333 17.988 7.021 564 HG SER 71 HG SER 71 -16.901 16.526 7.167 565 H GLY 72 H GLY 72 -13.801 18.441 5.787 566 1HA GLY 72 1HA GLY 72 -12.493 20.625 6.690 567 2HA GLY 72 2HA GLY 72 -11.172 19.547 6.265 Start of MODEL 7 1 1H GLY 1 H GLY 1 -28.952 5.266 15.886 2 1HA GLY 1 1HA GLY 1 -28.134 7.722 15.647 3 2HA GLY 1 2HA GLY 1 -26.598 7.009 16.114 4 H SER 2 H SER 2 -27.100 8.385 13.680 5 HA SER 2 HA SER 2 -26.303 6.293 11.821 6 1HB SER 2 1HB SER 2 -27.898 7.233 10.077 7 2HB SER 2 2HB SER 2 -28.644 6.295 11.371 8 HG SER 2 HG SER 2 -28.388 9.052 11.730 9 H SER 3 H SER 3 -24.398 7.025 11.157 10 HA SER 3 HA SER 3 -23.784 9.829 11.043 11 1HB SER 3 1HB SER 3 -21.575 9.040 10.179 12 2HB SER 3 2HB SER 3 -22.039 8.285 11.704 13 HG SER 3 HG SER 3 -21.548 6.546 10.583 14 H GLY 4 H GLY 4 -22.706 10.737 9.037 15 1HA GLY 4 1HA GLY 4 -23.407 9.689 6.482 16 2HA GLY 4 2HA GLY 4 -24.517 10.963 6.964 17 H SER 5 H SER 5 -23.212 11.475 4.743 18 HA SER 5 HA SER 5 -21.868 12.975 3.686 19 1HB SER 5 1HB SER 5 -22.125 14.153 6.426 20 2HB SER 5 2HB SER 5 -20.982 14.871 5.292 21 HG SER 5 HG SER 5 -23.013 14.683 3.834 22 H SER 6 H SER 6 -20.661 10.602 4.434 23 HA SER 6 HA SER 6 -18.099 11.204 5.646 24 1HB SER 6 1HB SER 6 -17.636 8.809 5.345 25 2HB SER 6 2HB SER 6 -19.201 9.055 6.120 26 HG SER 6 HG SER 6 -20.101 8.841 3.944 27 H GLY 7 H GLY 7 -19.321 10.203 2.463 28 1HA GLY 7 1HA GLY 7 -16.668 10.765 1.321 29 2HA GLY 7 2HA GLY 7 -17.927 9.810 0.553 30 H GLY 8 H GLY 8 -16.308 12.404 -0.053 31 1HA GLY 8 1HA GLY 8 -18.575 13.740 -1.328 32 2HA GLY 8 2HA GLY 8 -17.593 14.703 -0.234 33 H ILE 9 H ILE 9 -17.826 15.524 -2.799 34 HA ILE 9 HA ILE 9 -16.099 14.593 -4.722 35 HB ILE 9 HB ILE 9 -16.631 17.500 -4.097 36 1HG1 ILE 9 1HG1 ILE 9 -18.685 16.126 -4.396 37 2HG1 ILE 9 2HG1 ILE 9 -18.480 17.339 -5.654 38 1HG2 ILE 9 1HG2 ILE 9 -15.928 18.018 -6.269 39 2HG2 ILE 9 2HG2 ILE 9 -14.718 16.884 -5.675 40 3HG2 ILE 9 3HG2 ILE 9 -15.974 16.332 -6.782 41 1HD1 ILE 9 1HD1 ILE 9 -18.368 15.804 -7.262 42 2HD1 ILE 9 2HD1 ILE 9 -17.301 14.760 -6.322 43 3HD1 ILE 9 3HD1 ILE 9 -19.044 14.704 -6.061 44 H LYS 10 H LYS 10 -13.961 14.473 -4.974 45 HA LYS 10 HA LYS 10 -12.201 15.076 -2.839 46 1HB LYS 10 1HB LYS 10 -10.424 14.356 -4.345 47 2HB LYS 10 2HB LYS 10 -11.790 13.251 -4.434 48 1HG LYS 10 1HG LYS 10 -12.532 14.480 -6.487 49 2HG LYS 10 2HG LYS 10 -11.000 15.356 -6.431 50 1HD LYS 10 1HD LYS 10 -9.974 12.951 -6.310 51 2HD LYS 10 2HD LYS 10 -11.522 12.473 -7.011 52 1HE LYS 10 1HE LYS 10 -10.048 12.824 -8.828 53 2HE LYS 10 2HE LYS 10 -11.122 14.221 -8.784 54 1HZ LYS 10 1HZ LYS 10 -9.369 15.535 -8.603 55 2HZ LYS 10 2HZ LYS 10 -8.338 14.198 -8.696 56 3HZ LYS 10 3HZ LYS 10 -8.873 14.750 -7.189 57 H ASP 11 H ASP 11 -10.965 16.812 -2.425 58 HA ASP 11 HA ASP 11 -11.098 19.048 -4.336 59 1HB ASP 11 1HB ASP 11 -12.131 19.705 -2.298 60 2HB ASP 11 2HB ASP 11 -10.839 18.997 -1.332 61 H SER 12 H SER 12 -8.922 17.883 -1.757 62 HA SER 12 HA SER 12 -6.630 19.127 -2.880 63 1HB SER 12 1HB SER 12 -5.384 17.676 -1.225 64 2HB SER 12 2HB SER 12 -6.636 18.701 -0.523 65 HG SER 12 HG SER 12 -7.028 16.750 0.341 66 HA PRO 13 HA PRO 13 -5.336 16.219 -5.906 67 1HB PRO 13 1HB PRO 13 -2.645 16.557 -5.796 68 2HB PRO 13 2HB PRO 13 -3.735 17.754 -6.505 69 1HG PRO 13 1HG PRO 13 -2.484 17.706 -3.785 70 2HG PRO 13 2HG PRO 13 -2.675 19.067 -4.905 71 1HD PRO 13 1HD PRO 13 -4.320 18.679 -2.790 72 2HD PRO 13 2HD PRO 13 -4.874 19.414 -4.308 73 H VAL 14 H VAL 14 -4.126 14.246 -6.231 74 HA VAL 14 HA VAL 14 -4.317 12.425 -4.130 75 HB VAL 14 HB VAL 14 -2.944 10.905 -5.532 76 1HG1 VAL 14 1HG1 VAL 14 -4.508 10.782 -7.399 77 2HG1 VAL 14 2HG1 VAL 14 -5.358 11.109 -5.887 78 3HG1 VAL 14 3HG1 VAL 14 -5.076 12.413 -7.042 79 1HG2 VAL 14 1HG2 VAL 14 -2.120 11.620 -7.682 80 2HG2 VAL 14 2HG2 VAL 14 -2.757 13.244 -7.428 81 3HG2 VAL 14 3HG2 VAL 14 -1.431 12.651 -6.428 82 H ASN 15 H ASN 15 -2.853 11.520 -2.719 83 HA ASN 15 HA ASN 15 -0.344 13.018 -2.379 84 1HB ASN 15 1HB ASN 15 -1.993 11.466 -0.373 85 2HB ASN 15 2HB ASN 15 -0.430 12.196 -0.019 86 1HD2 ASN 15 1HD2 ASN 15 -3.607 12.617 0.361 87 2HD2 ASN 15 2HD2 ASN 15 -3.692 14.342 0.423 88 H LYS 16 H LYS 16 1.591 11.972 -2.239 89 HA LYS 16 HA LYS 16 1.555 9.103 -2.880 90 1HB LYS 16 1HB LYS 16 3.352 11.358 -3.613 91 2HB LYS 16 2HB LYS 16 4.086 9.772 -3.416 92 1HG LYS 16 1HG LYS 16 2.635 8.840 -5.099 93 2HG LYS 16 2HG LYS 16 1.765 10.370 -5.238 94 1HD LYS 16 1HD LYS 16 4.711 10.392 -5.646 95 2HD LYS 16 2HD LYS 16 3.702 9.702 -6.920 96 1HE LYS 16 1HE LYS 16 3.720 11.877 -7.601 97 2HE LYS 16 2HE LYS 16 2.325 11.929 -6.525 98 1HZ LYS 16 1HZ LYS 16 3.434 13.148 -4.994 99 2HZ LYS 16 2HZ LYS 16 4.304 13.652 -6.354 100 3HZ LYS 16 3HZ LYS 16 4.938 12.456 -5.340 101 H VAL 17 H VAL 17 1.586 8.071 -0.948 102 HA VAL 17 HA VAL 17 2.768 8.859 1.414 103 HB VAL 17 HB VAL 17 2.792 6.494 2.074 104 1HG1 VAL 17 1HG1 VAL 17 0.463 6.143 2.000 105 2HG1 VAL 17 2HG1 VAL 17 0.677 7.894 1.955 106 3HG1 VAL 17 3HG1 VAL 17 0.300 7.012 0.474 107 1HG2 VAL 17 1HG2 VAL 17 3.585 5.379 0.150 108 2HG2 VAL 17 2HG2 VAL 17 1.924 4.829 0.369 109 3HG2 VAL 17 3HG2 VAL 17 2.297 6.039 -0.858 110 H GLU 18 H GLU 18 4.184 6.717 -1.061 111 HA GLU 18 HA GLU 18 6.817 7.763 -0.523 112 1HB GLU 18 1HB GLU 18 5.936 5.142 0.521 113 2HB GLU 18 2HB GLU 18 7.489 5.148 -0.302 114 1HG GLU 18 1HG GLU 18 8.494 6.412 1.293 115 2HG GLU 18 2HG GLU 18 7.007 7.258 1.719 116 HA PRO 19 HA PRO 19 7.553 6.683 -4.709 117 1HB PRO 19 1HB PRO 19 10.166 5.947 -4.694 118 2HB PRO 19 2HB PRO 19 9.638 7.622 -4.496 119 1HG PRO 19 1HG PRO 19 10.464 5.637 -2.412 120 2HG PRO 19 2HG PRO 19 10.881 7.355 -2.548 121 1HD PRO 19 1HD PRO 19 8.961 6.451 -0.867 122 2HD PRO 19 2HD PRO 19 8.874 8.043 -1.647 123 H ASN 20 H ASN 20 7.327 4.366 -2.388 124 HA ASN 20 HA ASN 20 8.265 2.112 -3.941 125 1HB ASN 20 1HB ASN 20 7.101 2.498 -1.221 126 2HB ASN 20 2HB ASN 20 6.971 0.905 -1.960 127 1HD2 ASN 20 1HD2 ASN 20 9.559 3.293 -2.212 128 2HD2 ASN 20 2HD2 ASN 20 10.790 2.292 -1.528 129 H ASP 21 H ASP 21 6.110 3.846 -4.989 130 HA ASP 21 HA ASP 21 3.569 2.854 -4.837 131 1HB ASP 21 1HB ASP 21 3.910 4.765 -6.185 132 2HB ASP 21 2HB ASP 21 5.102 3.945 -7.189 133 H THR 22 H THR 22 6.254 1.557 -6.735 134 HA THR 22 HA THR 22 5.215 -0.270 -8.370 135 HB THR 22 HB THR 22 7.511 -0.611 -6.458 136 HG1 THR 22 1HG THR 22 7.548 0.787 -8.409 137 1HG2 THR 22 1HG2 THR 22 7.107 -2.849 -6.691 138 2HG2 THR 22 2HG2 THR 22 8.014 -2.576 -8.178 139 3HG2 THR 22 3HG2 THR 22 6.253 -2.647 -8.220 140 H LEU 23 H LEU 23 5.090 -0.455 -4.873 141 HA LEU 23 HA LEU 23 4.172 -3.137 -4.707 142 1HB LEU 23 1HB LEU 23 4.133 -0.796 -2.835 143 2HB LEU 23 2HB LEU 23 3.333 -2.309 -2.416 144 HG LEU 23 HG LEU 23 5.394 -3.487 -2.372 145 1HD1 LEU 23 1HD1 LEU 23 6.774 -0.998 -3.359 146 2HD1 LEU 23 2HD1 LEU 23 6.357 -2.374 -4.379 147 3HD1 LEU 23 3HD1 LEU 23 7.499 -2.576 -3.051 148 1HD2 LEU 23 1HD2 LEU 23 5.669 -2.670 -0.326 149 2HD2 LEU 23 2HD2 LEU 23 4.978 -1.118 -0.801 150 3HD2 LEU 23 3HD2 LEU 23 6.704 -1.418 -1.011 151 H GLU 24 H GLU 24 2.479 -0.009 -4.538 152 HA GLU 24 HA GLU 24 -0.069 -0.630 -4.063 153 1HB GLU 24 1HB GLU 24 0.550 1.619 -4.668 154 2HB GLU 24 2HB GLU 24 0.928 1.122 -6.311 155 1HG GLU 24 1HG GLU 24 -1.829 0.715 -5.258 156 2HG GLU 24 2HG GLU 24 -1.319 2.321 -5.775 157 H LYS 25 H LYS 25 1.660 -1.466 -7.001 158 HA LYS 25 HA LYS 25 -0.656 -2.484 -8.358 159 1HB LYS 25 1HB LYS 25 1.270 -1.612 -9.603 160 2HB LYS 25 2HB LYS 25 2.288 -2.879 -8.930 161 1HG LYS 25 1HG LYS 25 1.271 -4.541 -10.194 162 2HG LYS 25 2HG LYS 25 -0.161 -3.558 -10.511 163 1HD LYS 25 1HD LYS 25 1.062 -2.143 -12.006 164 2HD LYS 25 2HD LYS 25 2.590 -2.905 -11.559 165 1HE LYS 25 1HE LYS 25 1.468 -5.080 -12.406 166 2HE LYS 25 2HE LYS 25 0.347 -3.990 -13.220 167 1HZ LYS 25 1HZ LYS 25 2.735 -2.945 -13.877 168 2HZ LYS 25 2HZ LYS 25 1.864 -4.026 -14.843 169 3HZ LYS 25 3HZ LYS 25 3.099 -4.597 -13.837 170 H VAL 26 H VAL 26 2.320 -4.160 -7.323 171 HA VAL 26 HA VAL 26 1.514 -6.746 -7.550 172 HB VAL 26 HB VAL 26 3.734 -5.644 -6.572 173 1HG1 VAL 26 1HG1 VAL 26 4.026 -6.015 -4.233 174 2HG1 VAL 26 2HG1 VAL 26 2.563 -5.050 -4.441 175 3HG1 VAL 26 3HG1 VAL 26 2.441 -6.776 -4.097 176 1HG2 VAL 26 1HG2 VAL 26 4.470 -7.732 -6.802 177 2HG2 VAL 26 2HG2 VAL 26 3.512 -8.289 -5.430 178 3HG2 VAL 26 3HG2 VAL 26 2.793 -8.223 -7.039 179 H PHE 27 H PHE 27 0.732 -4.519 -4.934 180 HA PHE 27 HA PHE 27 -0.342 -6.224 -3.061 181 1HB PHE 27 1HB PHE 27 -0.181 -3.939 -2.481 182 2HB PHE 27 2HB PHE 27 -1.125 -3.433 -3.878 183 HD1 PHE 27 1HD PHE 27 -1.215 -4.540 -0.445 184 HD2 PHE 27 2HD PHE 27 -3.573 -3.845 -3.920 185 HE1 PHE 27 1HE PHE 27 -3.249 -4.541 0.939 186 HE2 PHE 27 2HE PHE 27 -5.610 -3.844 -2.542 187 HZ PHE 27 HZ PHE 27 -5.451 -4.191 -0.109 188 H VAL 28 H VAL 28 -1.966 -4.816 -5.887 189 HA VAL 28 HA VAL 28 -4.222 -6.650 -5.441 190 HB VAL 28 HB VAL 28 -4.932 -4.350 -5.568 191 1HG1 VAL 28 1HG1 VAL 28 -3.020 -4.266 -7.792 192 2HG1 VAL 28 2HG1 VAL 28 -4.531 -3.402 -8.082 193 3HG1 VAL 28 3HG1 VAL 28 -3.533 -2.993 -6.685 194 1HG2 VAL 28 1HG2 VAL 28 -6.059 -6.340 -6.936 195 2HG2 VAL 28 2HG2 VAL 28 -6.705 -4.699 -6.946 196 3HG2 VAL 28 3HG2 VAL 28 -5.699 -5.258 -8.282 197 H SER 29 H SER 29 -1.433 -6.747 -6.989 198 HA SER 29 HA SER 29 -2.488 -7.788 -9.522 199 1HB SER 29 1HB SER 29 -0.473 -6.077 -9.231 200 2HB SER 29 2HB SER 29 0.445 -7.567 -9.012 201 HG SER 29 HG SER 29 0.274 -7.942 -11.069 202 H VAL 30 H VAL 30 -0.240 -8.654 -6.906 203 HA VAL 30 HA VAL 30 -0.486 -11.474 -7.715 204 HB VAL 30 HB VAL 30 1.585 -11.927 -6.654 205 1HG1 VAL 30 1HG1 VAL 30 3.106 -10.153 -7.694 206 2HG1 VAL 30 2HG1 VAL 30 2.014 -11.023 -8.772 207 3HG1 VAL 30 3HG1 VAL 30 1.620 -9.385 -8.249 208 1HG2 VAL 30 1HG2 VAL 30 1.268 -10.631 -4.627 209 2HG2 VAL 30 2HG2 VAL 30 2.826 -10.243 -5.358 210 3HG2 VAL 30 3HG2 VAL 30 1.469 -9.129 -5.530 211 H THR 31 H THR 31 -0.518 -9.316 -4.904 212 HA THR 31 HA THR 31 -2.591 -10.714 -3.607 213 HB THR 31 HB THR 31 -0.855 -12.417 -3.227 214 HG1 THR 31 1HG THR 31 -2.515 -11.767 -1.581 215 1HG2 THR 31 1HG2 THR 31 1.245 -11.861 -2.737 216 2HG2 THR 31 2HG2 THR 31 0.710 -11.085 -1.247 217 3HG2 THR 31 3HG2 THR 31 0.785 -10.159 -2.745 218 H LYS 32 H LYS 32 -3.399 -9.571 -1.884 219 HA LYS 32 HA LYS 32 -2.456 -6.882 -1.580 220 1HB LYS 32 1HB LYS 32 -4.621 -8.368 -0.079 221 2HB LYS 32 2HB LYS 32 -4.347 -6.632 -0.023 222 1HG LYS 32 1HG LYS 32 -4.847 -6.479 -2.414 223 2HG LYS 32 2HG LYS 32 -5.142 -8.219 -2.456 224 1HD LYS 32 1HD LYS 32 -7.020 -8.006 -0.991 225 2HD LYS 32 2HD LYS 32 -6.650 -6.309 -0.677 226 1HE LYS 32 1HE LYS 32 -8.365 -6.170 -2.226 227 2HE LYS 32 2HE LYS 32 -6.928 -6.032 -3.238 228 1HZ LYS 32 1HZ LYS 32 -7.159 -8.549 -3.490 229 2HZ LYS 32 2HZ LYS 32 -8.249 -7.571 -4.336 230 3HZ LYS 32 3HZ LYS 32 -8.735 -8.343 -2.912 231 H TYR 33 H TYR 33 -2.384 -9.817 0.362 232 HA TYR 33 HA TYR 33 -0.722 -8.399 2.339 233 1HB TYR 33 1HB TYR 33 -2.793 -10.527 2.628 234 2HB TYR 33 2HB TYR 33 -1.436 -10.530 3.749 235 HD1 TYR 33 1HD TYR 33 -1.383 -9.053 5.578 236 HD2 TYR 33 2HD TYR 33 -4.216 -8.434 2.465 237 HE1 TYR 33 1HE TYR 33 -2.500 -7.340 6.944 238 HE2 TYR 33 2HE TYR 33 -5.341 -6.718 3.822 239 HH TYR 33 HH TYR 33 -4.609 -6.235 7.149 240 HA PRO 34 HA PRO 34 2.062 -11.396 0.207 241 1HB PRO 34 1HB PRO 34 4.217 -9.746 0.242 242 2HB PRO 34 2HB PRO 34 2.989 -9.695 -1.028 243 1HG PRO 34 1HG PRO 34 3.300 -7.941 1.379 244 2HG PRO 34 2HG PRO 34 2.901 -7.491 -0.290 245 1HD PRO 34 1HD PRO 34 1.024 -7.704 1.651 246 2HD PRO 34 2HD PRO 34 0.685 -8.079 -0.051 247 H ASP 35 H ASP 35 4.242 -12.178 0.950 248 HA ASP 35 HA ASP 35 4.524 -11.913 3.871 249 1HB ASP 35 1HB ASP 35 5.017 -14.446 2.296 250 2HB ASP 35 2HB ASP 35 5.036 -14.260 4.048 251 H GLU 36 H GLU 36 6.716 -12.625 4.650 252 HA GLU 36 HA GLU 36 8.735 -11.073 3.822 253 1HB GLU 36 1HB GLU 36 8.659 -12.820 5.736 254 2HB GLU 36 2HB GLU 36 9.372 -13.915 4.560 255 1HG GLU 36 1HG GLU 36 11.342 -12.687 4.424 256 2HG GLU 36 2HG GLU 36 10.602 -11.246 5.120 257 H LYS 37 H LYS 37 8.072 -14.305 2.508 258 HA LYS 37 HA LYS 37 10.127 -14.724 0.807 259 1HB LYS 37 1HB LYS 37 7.191 -15.233 0.508 260 2HB LYS 37 2HB LYS 37 8.275 -15.608 -0.825 261 1HG LYS 37 1HG LYS 37 9.417 -17.234 0.409 262 2HG LYS 37 2HG LYS 37 8.769 -16.648 1.943 263 1HD LYS 37 1HD LYS 37 7.013 -17.781 -0.220 264 2HD LYS 37 2HD LYS 37 7.766 -18.796 1.012 265 1HE LYS 37 1HE LYS 37 6.690 -17.358 2.745 266 2HE LYS 37 2HE LYS 37 5.832 -16.525 1.450 267 1HZ LYS 37 1HZ LYS 37 4.708 -18.484 2.678 268 2HZ LYS 37 2HZ LYS 37 5.654 -19.453 1.665 269 3HZ LYS 37 3HZ LYS 37 4.549 -18.360 0.998 270 H ARG 38 H ARG 38 7.246 -12.799 -0.037 271 HA ARG 38 HA ARG 38 8.261 -11.939 -2.536 272 1HB ARG 38 1HB ARG 38 5.830 -11.958 -1.747 273 2HB ARG 38 2HB ARG 38 6.206 -10.466 -0.897 274 1HG ARG 38 1HG ARG 38 6.403 -9.251 -2.825 275 2HG ARG 38 2HG ARG 38 6.850 -10.656 -3.794 276 1HD ARG 38 1HD ARG 38 4.118 -10.456 -2.592 277 2HD ARG 38 2HD ARG 38 4.497 -9.589 -4.080 278 HE ARG 38 HE ARG 38 3.959 -12.347 -3.841 279 1HH1 ARG 38 2HH1 ARG 38 6.066 -10.124 -5.495 280 2HH1 ARG 38 1HH1 ARG 38 6.294 -11.157 -6.867 281 1HH2 ARG 38 2HH2 ARG 38 4.251 -13.717 -5.642 282 2HH2 ARG 38 1HH2 ARG 38 5.260 -13.200 -6.950 283 H LEU 39 H LEU 39 8.074 -10.348 0.638 284 HA LEU 39 HA LEU 39 9.080 -7.874 0.045 285 1HB LEU 39 1HB LEU 39 9.330 -9.642 2.435 286 2HB LEU 39 2HB LEU 39 10.231 -8.128 2.384 287 HG LEU 39 HG LEU 39 8.168 -7.843 3.618 288 1HD1 LEU 39 1HD1 LEU 39 7.690 -5.813 2.748 289 2HD1 LEU 39 2HD1 LEU 39 7.483 -6.437 1.112 290 3HD1 LEU 39 3HD1 LEU 39 9.103 -6.166 1.753 291 1HD2 LEU 39 1HD2 LEU 39 6.749 -8.646 1.080 292 2HD2 LEU 39 2HD2 LEU 39 5.997 -8.136 2.592 293 3HD2 LEU 39 3HD2 LEU 39 6.899 -9.651 2.522 294 H LYS 40 H LYS 40 10.844 -10.894 0.368 295 HA LYS 40 HA LYS 40 13.446 -10.050 0.550 296 1HB LYS 40 1HB LYS 40 12.310 -12.332 -1.072 297 2HB LYS 40 2HB LYS 40 14.029 -12.108 -0.772 298 1HG LYS 40 1HG LYS 40 12.072 -12.290 1.487 299 2HG LYS 40 2HG LYS 40 12.732 -13.736 0.720 300 1HD LYS 40 1HD LYS 40 14.529 -11.549 1.713 301 2HD LYS 40 2HD LYS 40 13.923 -12.797 2.804 302 1HE LYS 40 1HE LYS 40 14.794 -14.396 0.893 303 2HE LYS 40 2HE LYS 40 15.826 -13.015 0.523 304 1HZ LYS 40 1HZ LYS 40 15.640 -14.366 3.162 305 2HZ LYS 40 2HZ LYS 40 16.645 -13.057 2.790 306 3HZ LYS 40 3HZ LYS 40 16.900 -14.556 2.048 307 H GLY 41 H GLY 41 11.382 -10.109 -2.311 308 1HA GLY 41 1HA GLY 41 13.476 -9.356 -4.120 309 2HA GLY 41 2HA GLY 41 11.754 -9.375 -4.468 310 H LEU 42 H LEU 42 10.535 -7.582 -3.156 311 HA LEU 42 HA LEU 42 11.142 -5.134 -4.200 312 1HB LEU 42 1HB LEU 42 9.704 -5.864 -1.667 313 2HB LEU 42 2HB LEU 42 9.832 -4.196 -2.221 314 HG LEU 42 HG LEU 42 8.615 -6.375 -3.902 315 1HD1 LEU 42 1HD1 LEU 42 7.132 -6.428 -2.155 316 2HD1 LEU 42 2HD1 LEU 42 6.453 -5.118 -3.121 317 3HD1 LEU 42 3HD1 LEU 42 7.433 -4.750 -1.702 318 1HD2 LEU 42 1HD2 LEU 42 8.905 -4.686 -5.374 319 2HD2 LEU 42 2HD2 LEU 42 8.994 -3.454 -4.114 320 3HD2 LEU 42 3HD2 LEU 42 7.426 -4.081 -4.627 321 H SER 43 H SER 43 12.379 -6.563 -1.243 322 HA SER 43 HA SER 43 13.485 -4.406 0.041 323 1HB SER 43 1HB SER 43 13.608 -6.569 1.063 324 2HB SER 43 2HB SER 43 14.563 -7.213 -0.272 325 HG SER 43 HG SER 43 15.385 -5.191 1.545 326 H LYS 44 H LYS 44 14.902 -6.275 -2.621 327 HA LYS 44 HA LYS 44 17.228 -4.576 -2.755 328 1HB LYS 44 1HB LYS 44 16.225 -6.878 -4.417 329 2HB LYS 44 2HB LYS 44 17.634 -5.939 -4.894 330 1HG LYS 44 1HG LYS 44 17.560 -7.041 -2.138 331 2HG LYS 44 2HG LYS 44 17.849 -8.152 -3.478 332 1HD LYS 44 1HD LYS 44 20.001 -7.537 -3.033 333 2HD LYS 44 2HD LYS 44 19.574 -6.269 -4.184 334 1HE LYS 44 1HE LYS 44 20.735 -5.491 -2.090 335 2HE LYS 44 2HE LYS 44 19.203 -4.697 -2.450 336 1HZ LYS 44 1HZ LYS 44 18.945 -7.038 -0.793 337 2HZ LYS 44 2HZ LYS 44 18.273 -5.498 -0.601 338 3HZ LYS 44 3HZ LYS 44 19.853 -5.802 -0.079 339 H GLN 45 H GLN 45 14.395 -5.190 -4.816 340 HA GLN 45 HA GLN 45 14.881 -3.549 -6.932 341 1HB GLN 45 1HB GLN 45 12.838 -4.969 -6.553 342 2HB GLN 45 2HB GLN 45 12.208 -3.683 -5.533 343 1HG GLN 45 1HG GLN 45 12.093 -2.175 -7.364 344 2HG GLN 45 2HG GLN 45 12.987 -3.280 -8.407 345 1HE2 GLN 45 1HE2 GLN 45 11.421 -3.446 -9.958 346 2HE2 GLN 45 2HE2 GLN 45 9.905 -4.231 -9.696 347 H LEU 46 H LEU 46 13.260 -2.515 -3.927 348 HA LEU 46 HA LEU 46 13.840 0.270 -4.646 349 1HB LEU 46 1HB LEU 46 12.011 -0.812 -2.508 350 2HB LEU 46 2HB LEU 46 12.184 0.879 -2.974 351 HG LEU 46 HG LEU 46 11.321 -1.085 -5.042 352 1HD1 LEU 46 1HD1 LEU 46 10.020 -1.196 -2.700 353 2HD1 LEU 46 2HD1 LEU 46 9.226 -1.397 -4.262 354 3HD1 LEU 46 3HD1 LEU 46 9.179 0.165 -3.443 355 1HD2 LEU 46 1HD2 LEU 46 10.851 0.765 -6.181 356 2HD2 LEU 46 2HD2 LEU 46 11.659 1.673 -4.902 357 3HD2 LEU 46 3HD2 LEU 46 9.913 1.429 -4.843 358 H ASP 47 H ASP 47 15.743 -1.738 -3.479 359 HA ASP 47 HA ASP 47 17.177 -1.988 -1.681 360 1HB ASP 47 1HB ASP 47 17.917 -0.017 -3.217 361 2HB ASP 47 2HB ASP 47 17.455 0.996 -1.852 362 H TRP 48 H TRP 48 14.694 -2.019 -0.607 363 HA TRP 48 HA TRP 48 14.859 -0.207 1.709 364 1HB TRP 48 1HB TRP 48 12.571 -1.370 0.199 365 2HB TRP 48 2HB TRP 48 12.368 -1.140 1.934 366 HD1 TRP 48 HD TRP 48 14.507 1.440 0.207 367 HE1 TRP 48 1HE TRP 48 13.212 3.659 0.047 368 HE3 TRP 48 3HE TRP 48 9.889 -0.211 1.649 369 HZ2 TRP 48 2HZ TRP 48 10.581 4.586 0.476 370 HZ3 TRP 48 3HZ TRP 48 8.036 1.406 1.748 371 HH2 TRP 48 HH TRP 48 8.378 3.754 1.174 372 H SER 49 H SER 49 13.518 -1.339 3.629 373 HA SER 49 HA SER 49 14.886 -3.903 4.079 374 1HB SER 49 1HB SER 49 13.821 -1.891 6.075 375 2HB SER 49 2HB SER 49 14.600 -3.417 6.494 376 HG SER 49 HG SER 49 15.703 -1.051 5.585 377 H VAL 50 H VAL 50 13.754 -5.713 4.442 378 HA VAL 50 HA VAL 50 11.229 -6.196 3.700 379 HB VAL 50 HB VAL 50 12.714 -7.980 4.439 380 1HG1 VAL 50 1HG1 VAL 50 13.587 -8.172 6.498 381 2HG1 VAL 50 2HG1 VAL 50 13.136 -6.474 6.665 382 3HG1 VAL 50 3HG1 VAL 50 12.072 -7.735 7.289 383 1HG2 VAL 50 1HG2 VAL 50 10.660 -8.930 4.324 384 2HG2 VAL 50 2HG2 VAL 50 10.903 -9.100 6.063 385 3HG2 VAL 50 3HG2 VAL 50 9.937 -7.766 5.434 386 H ARG 51 H ARG 51 12.179 -4.779 6.769 387 HA ARG 51 HA ARG 51 9.546 -4.873 7.903 388 1HB ARG 51 1HB ARG 51 12.168 -3.671 8.684 389 2HB ARG 51 2HB ARG 51 10.706 -3.093 9.472 390 1HG ARG 51 1HG ARG 51 11.297 -4.746 10.916 391 2HG ARG 51 2HG ARG 51 10.280 -5.672 9.811 392 1HD ARG 51 1HD ARG 51 12.419 -6.186 8.530 393 2HD ARG 51 2HD ARG 51 13.281 -5.552 9.932 394 HE ARG 51 HE ARG 51 11.370 -7.554 10.642 395 1HH1 ARG 51 2HH1 ARG 51 14.582 -7.039 9.401 396 2HH1 ARG 51 1HH1 ARG 51 15.181 -8.568 9.953 397 1HH2 ARG 51 2HH2 ARG 51 12.147 -9.570 11.373 398 2HH2 ARG 51 1HH2 ARG 51 13.795 -10.007 11.074 399 H LYS 52 H LYS 52 11.611 -2.191 6.772 400 HA LYS 52 HA LYS 52 9.862 -0.103 7.010 401 1HB LYS 52 1HB LYS 52 12.186 0.156 6.276 402 2HB LYS 52 2HB LYS 52 11.793 -0.592 4.734 403 1HG LYS 52 1HG LYS 52 10.364 1.252 4.147 404 2HG LYS 52 2HG LYS 52 10.588 1.977 5.741 405 1HD LYS 52 1HD LYS 52 13.111 1.921 5.129 406 2HD LYS 52 2HD LYS 52 12.528 1.753 3.471 407 1HE LYS 52 1HE LYS 52 11.466 3.839 3.514 408 2HE LYS 52 2HE LYS 52 11.510 3.925 5.274 409 1HZ LYS 52 1HZ LYS 52 14.110 3.739 4.050 410 2HZ LYS 52 2HZ LYS 52 13.552 4.793 5.250 411 3HZ LYS 52 3HZ LYS 52 13.261 5.137 3.619 412 H ILE 53 H ILE 53 10.114 -2.343 4.263 413 HA ILE 53 HA ILE 53 8.115 -1.169 2.680 414 HB ILE 53 HB ILE 53 8.921 -4.079 2.771 415 1HG1 ILE 53 1HG1 ILE 53 9.914 -2.026 0.809 416 2HG1 ILE 53 2HG1 ILE 53 10.717 -2.259 2.358 417 1HG2 ILE 53 1HG2 ILE 53 7.148 -4.271 1.405 418 2HG2 ILE 53 2HG2 ILE 53 7.077 -2.538 1.089 419 3HG2 ILE 53 3HG2 ILE 53 8.218 -3.550 0.203 420 1HD1 ILE 53 1HD1 ILE 53 10.567 -4.808 1.469 421 2HD1 ILE 53 2HD1 ILE 53 10.736 -3.924 -0.048 422 3HD1 ILE 53 3HD1 ILE 53 11.946 -3.738 1.221 423 H GLN 54 H GLN 54 7.897 -4.080 4.736 424 HA GLN 54 HA GLN 54 5.323 -4.783 4.539 425 1HB GLN 54 1HB GLN 54 7.146 -4.646 6.894 426 2HB GLN 54 2HB GLN 54 5.454 -5.034 7.178 427 1HG GLN 54 1HG GLN 54 5.675 -6.877 5.513 428 2HG GLN 54 2HG GLN 54 7.404 -6.541 5.456 429 1HE2 GLN 54 1HE2 GLN 54 7.262 -8.903 6.111 430 2HE2 GLN 54 2HE2 GLN 54 7.272 -9.227 7.808 431 H CYS 55 H CYS 55 6.491 -1.982 6.351 432 HA CYS 55 HA CYS 55 4.040 -1.229 7.494 433 1HB CYS 55 1HB CYS 55 6.391 -0.363 8.035 434 2HB CYS 55 2HB CYS 55 6.185 0.718 6.662 435 HG CYS 55 HG CYS 55 4.261 2.266 7.718 436 H TRP 56 H TRP 56 5.568 -0.316 4.431 437 HA TRP 56 HA TRP 56 3.746 1.612 3.597 438 1HB TRP 56 1HB TRP 56 5.909 1.100 2.476 439 2HB TRP 56 2HB TRP 56 5.193 -0.376 1.835 440 HD1 TRP 56 HD TRP 56 5.549 3.273 1.117 441 HE1 TRP 56 1HE TRP 56 4.227 3.883 -1.006 442 HE3 TRP 56 3HE TRP 56 2.881 -1.051 0.553 443 HZ2 TRP 56 2HZ TRP 56 2.306 2.689 -2.695 444 HZ3 TRP 56 3HZ TRP 56 1.323 -1.237 -1.342 445 HH2 TRP 56 HH TRP 56 1.042 0.596 -2.931 446 H PHE 57 H PHE 57 3.689 -1.901 3.086 447 HA PHE 57 HA PHE 57 1.388 -2.018 1.505 448 1HB PHE 57 1HB PHE 57 2.867 -3.939 3.230 449 2HB PHE 57 2HB PHE 57 1.231 -4.378 2.750 450 HD1 PHE 57 1HD PHE 57 4.663 -3.954 1.675 451 HD2 PHE 57 2HD PHE 57 0.675 -4.664 0.369 452 HE1 PHE 57 1HE PHE 57 5.517 -4.733 -0.497 453 HE2 PHE 57 2HE PHE 57 1.522 -5.445 -1.804 454 HZ PHE 57 HZ PHE 57 3.946 -5.481 -2.240 455 H ARG 58 H ARG 58 1.655 -2.639 5.010 456 HA ARG 58 HA ARG 58 -0.996 -2.950 5.622 457 1HB ARG 58 1HB ARG 58 0.468 -3.327 7.392 458 2HB ARG 58 2HB ARG 58 1.306 -1.800 7.156 459 1HG ARG 58 1HG ARG 58 -0.556 -0.581 8.076 460 2HG ARG 58 2HG ARG 58 -1.506 -2.064 8.198 461 1HD ARG 58 1HD ARG 58 1.053 -1.457 9.676 462 2HD ARG 58 2HD ARG 58 -0.572 -1.445 10.362 463 HE ARG 58 HE ARG 58 -0.550 -3.752 10.410 464 1HH1 ARG 58 2HH1 ARG 58 2.205 -2.560 8.647 465 2HH1 ARG 58 1HH1 ARG 58 3.003 -4.097 8.598 466 1HH2 ARG 58 2HH2 ARG 58 0.491 -5.781 10.352 467 2HH2 ARG 58 1HH2 ARG 58 2.027 -5.929 9.567 468 H HIS 59 H HIS 59 0.770 0.063 5.139 469 HA HIS 59 HA HIS 59 -1.275 1.812 5.990 470 1HB HIS 59 1HB HIS 59 1.180 2.367 5.610 471 2HB HIS 59 2HB HIS 59 0.799 2.447 3.892 472 HD1 HIS 59 1HD HIS 59 1.337 4.653 6.509 473 HD2 HIS 59 2HD HIS 59 -1.707 4.315 3.701 474 HE1 HIS 59 1HE HIS 59 0.253 6.920 6.416 475 HE2 HIS 59 2HE HIS 59 -1.640 6.668 4.774 476 H ARG 60 H ARG 60 -0.475 0.428 2.839 477 HA ARG 60 HA ARG 60 -2.190 1.885 1.224 478 1HB ARG 60 1HB ARG 60 -0.516 0.262 0.397 479 2HB ARG 60 2HB ARG 60 -1.526 -1.054 0.978 480 1HG ARG 60 1HG ARG 60 -2.034 -0.967 -1.273 481 2HG ARG 60 2HG ARG 60 -3.341 -0.031 -0.544 482 1HD ARG 60 1HD ARG 60 -1.732 1.986 -0.960 483 2HD ARG 60 2HD ARG 60 -0.994 0.901 -2.138 484 HE ARG 60 HE ARG 60 -3.712 0.856 -2.634 485 1HH1 ARG 60 2HH1 ARG 60 -1.152 3.216 -2.626 486 2HH1 ARG 60 1HH1 ARG 60 -1.880 4.202 -3.850 487 1HH2 ARG 60 2HH2 ARG 60 -4.680 2.146 -4.247 488 2HH2 ARG 60 1HH2 ARG 60 -3.887 3.593 -4.772 489 H ARG 61 H ARG 61 -2.860 -1.104 3.028 490 HA ARG 61 HA ARG 61 -5.426 -1.628 2.225 491 1HB ARG 61 1HB ARG 61 -3.998 -2.001 4.828 492 2HB ARG 61 2HB ARG 61 -5.717 -2.359 4.735 493 1HG ARG 61 1HG ARG 61 -3.732 -3.545 2.823 494 2HG ARG 61 2HG ARG 61 -4.113 -4.288 4.377 495 1HD ARG 61 1HD ARG 61 -6.231 -3.562 2.371 496 2HD ARG 61 2HD ARG 61 -5.405 -5.120 2.349 497 HE ARG 61 HE ARG 61 -6.490 -4.514 4.917 498 1HH1 ARG 61 2HH1 ARG 61 -7.287 -5.701 1.743 499 2HH1 ARG 61 1HH1 ARG 61 -8.651 -6.622 2.287 500 1HH2 ARG 61 2HH2 ARG 61 -8.282 -5.722 5.646 501 2HH2 ARG 61 1HH2 ARG 61 -9.216 -6.632 4.507 502 H ASN 62 H ASN 62 -4.560 0.360 5.062 503 HA ASN 62 HA ASN 62 -7.130 1.246 5.659 504 1HB ASN 62 1HB ASN 62 -4.470 2.618 6.098 505 2HB ASN 62 2HB ASN 62 -5.986 3.140 6.825 506 1HD2 ASN 62 1HD2 ASN 62 -3.620 0.566 6.686 507 2HD2 ASN 62 2HD2 ASN 62 -4.026 -0.147 8.206 508 H GLN 63 H GLN 63 -4.614 2.907 3.757 509 HA GLN 63 HA GLN 63 -5.980 5.183 3.058 510 1HB GLN 63 1HB GLN 63 -3.568 4.373 2.469 511 2HB GLN 63 2HB GLN 63 -4.323 3.765 1.001 512 1HG GLN 63 1HG GLN 63 -3.433 5.906 0.515 513 2HG GLN 63 2HG GLN 63 -5.188 6.065 0.582 514 1HE2 GLN 63 1HE2 GLN 63 -2.283 7.315 1.623 515 2HE2 GLN 63 2HE2 GLN 63 -2.864 8.315 2.906 516 H ASP 64 H ASP 64 -6.080 2.030 1.434 517 HA ASP 64 HA ASP 64 -7.839 2.822 -0.634 518 1HB ASP 64 1HB ASP 64 -6.925 0.205 0.485 519 2HB ASP 64 2HB ASP 64 -8.307 0.223 -0.607 520 H LYS 65 H LYS 65 -8.390 1.227 2.488 521 HA LYS 65 HA LYS 65 -11.254 1.869 2.209 522 1HB LYS 65 1HB LYS 65 -9.868 -0.560 3.243 523 2HB LYS 65 2HB LYS 65 -11.375 -0.079 4.012 524 1HG LYS 65 1HG LYS 65 -12.258 0.020 1.556 525 2HG LYS 65 2HG LYS 65 -10.885 -1.044 1.236 526 1HD LYS 65 1HD LYS 65 -11.691 -2.646 2.845 527 2HD LYS 65 2HD LYS 65 -12.985 -1.554 3.342 528 1HE LYS 65 1HE LYS 65 -13.748 -1.650 0.900 529 2HE LYS 65 2HE LYS 65 -12.671 -3.038 0.749 530 1HZ LYS 65 1HZ LYS 65 -14.371 -3.225 3.040 531 2HZ LYS 65 2HZ LYS 65 -14.121 -4.338 1.792 532 3HZ LYS 65 3HZ LYS 65 -15.258 -3.099 1.605 533 HA PRO 66 HA PRO 66 -9.636 4.311 5.773 534 1HB PRO 66 1HB PRO 66 -11.167 6.491 5.250 535 2HB PRO 66 2HB PRO 66 -9.599 6.213 4.484 536 1HG PRO 66 1HG PRO 66 -12.347 5.700 3.414 537 2HG PRO 66 2HG PRO 66 -10.943 6.410 2.597 538 1HD PRO 66 1HD PRO 66 -11.677 3.826 2.252 539 2HD PRO 66 2HD PRO 66 -9.983 4.354 2.188 540 H SER 67 H SER 67 -10.576 4.474 7.748 541 HA SER 67 HA SER 67 -13.487 4.313 7.970 542 1HB SER 67 1HB SER 67 -11.564 2.385 9.291 543 2HB SER 67 2HB SER 67 -13.263 2.546 9.736 544 HG SER 67 HG SER 67 -12.135 1.574 7.346 545 H GLY 68 H GLY 68 -14.288 5.544 9.573 546 1HA GLY 68 1HA GLY 68 -13.680 6.108 12.045 547 2HA GLY 68 2HA GLY 68 -12.346 6.947 11.268 548 HA PRO 69 HA PRO 69 -16.513 9.191 10.126 549 1HB PRO 69 1HB PRO 69 -18.521 8.774 11.905 550 2HB PRO 69 2HB PRO 69 -18.302 7.786 10.456 551 1HG PRO 69 1HG PRO 69 -17.496 7.210 13.281 552 2HG PRO 69 2HG PRO 69 -18.242 6.131 12.088 553 1HD PRO 69 1HD PRO 69 -15.591 6.085 12.637 554 2HD PRO 69 2HD PRO 69 -16.239 5.714 11.027 555 H SER 70 H SER 70 -16.828 11.271 10.779 556 HA SER 70 HA SER 70 -15.506 12.093 13.222 557 1HB SER 70 1HB SER 70 -15.414 13.250 10.880 558 2HB SER 70 2HB SER 70 -16.939 13.981 11.379 559 HG SER 70 HG SER 70 -15.823 14.740 13.262 560 H SER 71 H SER 71 -16.452 12.868 15.029 561 HA SER 71 HA SER 71 -19.382 12.728 15.148 562 1HB SER 71 1HB SER 71 -17.260 12.553 17.293 563 2HB SER 71 2HB SER 71 -18.981 12.684 17.654 564 HG SER 71 HG SER 71 -19.125 10.630 17.294 565 H GLY 72 H GLY 72 -18.316 14.992 13.939 566 1HA GLY 72 1HA GLY 72 -17.884 17.169 15.672 567 2HA GLY 72 2HA GLY 72 -18.419 17.284 14.002 Start of MODEL 8 1 1H GLY 1 H GLY 1 -36.741 21.120 -6.760 2 1HA GLY 1 1HA GLY 1 -36.472 22.855 -5.137 3 2HA GLY 1 2HA GLY 1 -35.359 21.586 -4.648 4 H SER 2 H SER 2 -33.295 21.814 -6.368 5 HA SER 2 HA SER 2 -32.168 24.392 -5.587 6 1HB SER 2 1HB SER 2 -29.996 23.378 -6.178 7 2HB SER 2 2HB SER 2 -30.883 22.384 -5.023 8 HG SER 2 HG SER 2 -31.429 20.987 -6.669 9 H SER 3 H SER 3 -32.422 22.348 -8.489 10 HA SER 3 HA SER 3 -32.425 22.845 -10.709 11 1HB SER 3 1HB SER 3 -33.155 25.646 -9.825 12 2HB SER 3 2HB SER 3 -33.428 24.936 -11.416 13 HG SER 3 HG SER 3 -35.331 24.736 -10.336 14 H GLY 4 H GLY 4 -29.950 22.886 -9.451 15 1HA GLY 4 1HA GLY 4 -28.354 24.192 -11.355 16 2HA GLY 4 2HA GLY 4 -28.410 25.192 -9.911 17 H SER 5 H SER 5 -26.640 22.916 -11.445 18 HA SER 5 HA SER 5 -25.593 21.797 -8.928 19 1HB SER 5 1HB SER 5 -24.779 19.898 -10.224 20 2HB SER 5 2HB SER 5 -26.508 20.110 -10.500 21 HG SER 5 HG SER 5 -24.405 20.963 -12.207 22 H SER 6 H SER 6 -23.811 22.805 -8.299 23 HA SER 6 HA SER 6 -21.576 23.081 -10.095 24 1HB SER 6 1HB SER 6 -21.316 25.457 -9.968 25 2HB SER 6 2HB SER 6 -22.975 25.155 -10.484 26 HG SER 6 HG SER 6 -23.368 25.272 -8.057 27 H GLY 7 H GLY 7 -19.600 23.628 -8.998 28 1HA GLY 7 1HA GLY 7 -19.475 24.112 -6.208 29 2HA GLY 7 2HA GLY 7 -19.277 22.394 -6.525 30 H GLY 8 H GLY 8 -17.813 25.510 -6.639 31 1HA GLY 8 1HA GLY 8 -15.488 24.554 -8.116 32 2HA GLY 8 2HA GLY 8 -15.755 26.192 -7.538 33 H ILE 9 H ILE 9 -15.532 22.971 -6.021 34 HA ILE 9 HA ILE 9 -13.326 23.968 -4.371 35 HB ILE 9 HB ILE 9 -14.295 22.970 -2.345 36 1HG1 ILE 9 1HG1 ILE 9 -16.979 22.821 -3.644 37 2HG1 ILE 9 2HG1 ILE 9 -15.858 21.488 -3.898 38 1HG2 ILE 9 1HG2 ILE 9 -14.587 25.346 -2.746 39 2HG2 ILE 9 2HG2 ILE 9 -16.054 25.029 -3.671 40 3HG2 ILE 9 3HG2 ILE 9 -16.010 24.683 -1.942 41 1HD1 ILE 9 1HD1 ILE 9 -17.082 20.805 -2.067 42 2HD1 ILE 9 2HD1 ILE 9 -15.637 21.496 -1.328 43 3HD1 ILE 9 3HD1 ILE 9 -17.136 22.423 -1.369 44 H LYS 10 H LYS 10 -11.970 22.342 -3.510 45 HA LYS 10 HA LYS 10 -12.224 19.754 -4.891 46 1HB LYS 10 1HB LYS 10 -9.840 21.372 -4.040 47 2HB LYS 10 2HB LYS 10 -9.695 19.642 -4.322 48 1HG LYS 10 1HG LYS 10 -10.878 21.449 -6.396 49 2HG LYS 10 2HG LYS 10 -9.131 21.253 -6.237 50 1HD LYS 10 1HD LYS 10 -10.966 18.887 -6.473 51 2HD LYS 10 2HD LYS 10 -10.364 19.736 -7.899 52 1HE LYS 10 1HE LYS 10 -8.049 19.362 -7.060 53 2HE LYS 10 2HE LYS 10 -8.725 18.382 -5.760 54 1HZ LYS 10 1HZ LYS 10 -8.370 17.745 -8.562 55 2HZ LYS 10 2HZ LYS 10 -9.850 17.256 -7.904 56 3HZ LYS 10 3HZ LYS 10 -8.401 16.723 -7.213 57 H ASP 11 H ASP 11 -10.929 17.980 -3.653 58 HA ASP 11 HA ASP 11 -12.081 17.867 -0.978 59 1HB ASP 11 1HB ASP 11 -10.789 15.774 -2.733 60 2HB ASP 11 2HB ASP 11 -11.330 15.458 -1.087 61 H SER 12 H SER 12 -8.922 17.218 -2.498 62 HA SER 12 HA SER 12 -7.460 18.560 -0.485 63 1HB SER 12 1HB SER 12 -6.341 16.582 0.529 64 2HB SER 12 2HB SER 12 -8.060 16.664 0.914 65 HG SER 12 HG SER 12 -7.371 15.239 -1.366 66 HA PRO 13 HA PRO 13 -4.395 18.392 -3.622 67 1HB PRO 13 1HB PRO 13 -2.132 18.704 -2.155 68 2HB PRO 13 2HB PRO 13 -3.278 20.019 -2.446 69 1HG PRO 13 1HG PRO 13 -2.982 18.261 -0.041 70 2HG PRO 13 2HG PRO 13 -3.249 20.012 -0.121 71 1HD PRO 13 1HD PRO 13 -5.246 18.255 0.385 72 2HD PRO 13 2HD PRO 13 -5.512 19.776 -0.490 73 H VAL 14 H VAL 14 -4.046 16.513 -4.645 74 HA VAL 14 HA VAL 14 -3.746 14.003 -3.816 75 HB VAL 14 HB VAL 14 -2.023 15.260 -5.955 76 1HG1 VAL 14 1HG1 VAL 14 -2.732 12.366 -5.488 77 2HG1 VAL 14 2HG1 VAL 14 -1.850 12.998 -6.879 78 3HG1 VAL 14 3HG1 VAL 14 -1.143 13.095 -5.266 79 1HG2 VAL 14 1HG2 VAL 14 -4.100 15.639 -6.790 80 2HG2 VAL 14 2HG2 VAL 14 -3.924 13.962 -7.307 81 3HG2 VAL 14 3HG2 VAL 14 -4.837 14.343 -5.847 82 H ASN 15 H ASN 15 -2.643 13.200 -2.154 83 HA ASN 15 HA ASN 15 0.164 14.029 -1.808 84 1HB ASN 15 1HB ASN 15 -0.057 13.685 0.557 85 2HB ASN 15 2HB ASN 15 -1.407 14.691 0.041 86 1HD2 ASN 15 1HD2 ASN 15 -0.487 11.928 1.691 87 2HD2 ASN 15 2HD2 ASN 15 -2.046 11.208 1.881 88 H LYS 16 H LYS 16 1.713 12.485 -1.650 89 HA LYS 16 HA LYS 16 0.839 9.710 -2.073 90 1HB LYS 16 1HB LYS 16 3.325 11.214 -2.843 91 2HB LYS 16 2HB LYS 16 3.316 9.456 -2.788 92 1HG LYS 16 1HG LYS 16 1.251 9.641 -4.320 93 2HG LYS 16 2HG LYS 16 1.808 11.292 -4.604 94 1HD LYS 16 1HD LYS 16 3.756 9.050 -4.860 95 2HD LYS 16 2HD LYS 16 2.585 9.313 -6.154 96 1HE LYS 16 1HE LYS 16 4.396 11.458 -5.059 97 2HE LYS 16 2HE LYS 16 4.782 10.472 -6.469 98 1HZ LYS 16 1HZ LYS 16 2.708 12.536 -6.162 99 2HZ LYS 16 2HZ LYS 16 2.492 11.300 -7.297 100 3HZ LYS 16 3HZ LYS 16 3.833 12.326 -7.408 101 H VAL 17 H VAL 17 2.223 8.009 -1.112 102 HA VAL 17 HA VAL 17 2.891 8.729 1.645 103 HB VAL 17 HB VAL 17 2.853 6.316 2.099 104 1HG1 VAL 17 1HG1 VAL 17 0.437 7.394 0.655 105 2HG1 VAL 17 2HG1 VAL 17 0.433 5.946 1.664 106 3HG1 VAL 17 3HG1 VAL 17 0.794 7.518 2.377 107 1HG2 VAL 17 1HG2 VAL 17 2.309 6.122 -0.854 108 2HG2 VAL 17 2HG2 VAL 17 3.613 5.369 0.063 109 3HG2 VAL 17 3HG2 VAL 17 1.951 4.817 0.277 110 H GLU 18 H GLU 18 4.242 6.818 -1.043 111 HA GLU 18 HA GLU 18 6.891 7.756 -0.512 112 1HB GLU 18 1HB GLU 18 6.028 5.090 0.482 113 2HB GLU 18 2HB GLU 18 7.611 5.192 -0.275 114 1HG GLU 18 1HG GLU 18 6.625 6.581 2.188 115 2HG GLU 18 2HG GLU 18 8.000 5.492 2.009 116 HA PRO 19 HA PRO 19 7.505 6.674 -4.717 117 1HB PRO 19 1HB PRO 19 10.120 5.946 -4.772 118 2HB PRO 19 2HB PRO 19 9.593 7.620 -4.564 119 1HG PRO 19 1HG PRO 19 10.480 5.643 -2.498 120 2HG PRO 19 2HG PRO 19 10.889 7.362 -2.650 121 1HD PRO 19 1HD PRO 19 9.018 6.457 -0.914 122 2HD PRO 19 2HD PRO 19 8.905 8.047 -1.696 123 H ASN 20 H ASN 20 7.353 4.362 -2.384 124 HA ASN 20 HA ASN 20 8.258 2.107 -3.953 125 1HB ASN 20 1HB ASN 20 7.121 2.481 -1.212 126 2HB ASN 20 2HB ASN 20 7.045 0.883 -1.949 127 1HD2 ASN 20 1HD2 ASN 20 9.514 3.415 -2.098 128 2HD2 ASN 20 2HD2 ASN 20 10.796 2.442 -1.470 129 H ASP 21 H ASP 21 6.017 3.877 -4.866 130 HA ASP 21 HA ASP 21 3.508 2.843 -4.675 131 1HB ASP 21 1HB ASP 21 3.832 4.790 -6.000 132 2HB ASP 21 2HB ASP 21 4.939 3.954 -7.086 133 H THR 22 H THR 22 6.166 1.578 -6.619 134 HA THR 22 HA THR 22 5.110 -0.223 -8.276 135 HB THR 22 HB THR 22 7.411 -0.641 -6.377 136 HG1 THR 22 1HG THR 22 7.047 0.279 -8.991 137 1HG2 THR 22 1HG2 THR 22 6.622 -2.439 -8.673 138 2HG2 THR 22 2HG2 THR 22 6.433 -2.838 -6.965 139 3HG2 THR 22 3HG2 THR 22 8.044 -2.608 -7.644 140 H LEU 23 H LEU 23 5.112 -0.522 -4.771 141 HA LEU 23 HA LEU 23 4.184 -3.184 -4.631 142 1HB LEU 23 1HB LEU 23 4.170 -0.862 -2.744 143 2HB LEU 23 2HB LEU 23 3.330 -2.354 -2.328 144 HG LEU 23 HG LEU 23 5.356 -3.587 -2.282 145 1HD1 LEU 23 1HD1 LEU 23 6.329 -2.466 -4.301 146 2HD1 LEU 23 2HD1 LEU 23 7.473 -2.773 -2.995 147 3HD1 LEU 23 3HD1 LEU 23 6.835 -1.148 -3.244 148 1HD2 LEU 23 1HD2 LEU 23 6.030 -2.784 -0.311 149 2HD2 LEU 23 2HD2 LEU 23 4.843 -1.504 -0.565 150 3HD2 LEU 23 3HD2 LEU 23 6.530 -1.243 -1.010 151 H GLU 24 H GLU 24 2.474 -0.071 -4.523 152 HA GLU 24 HA GLU 24 -0.074 -0.727 -4.003 153 1HB GLU 24 1HB GLU 24 0.525 1.533 -4.598 154 2HB GLU 24 2HB GLU 24 0.891 1.048 -6.248 155 1HG GLU 24 1HG GLU 24 -1.852 0.664 -5.126 156 2HG GLU 24 2HG GLU 24 -1.341 2.234 -5.744 157 H LYS 25 H LYS 25 1.647 -1.504 -6.966 158 HA LYS 25 HA LYS 25 -0.644 -2.523 -8.342 159 1HB LYS 25 1HB LYS 25 1.357 -1.668 -9.518 160 2HB LYS 25 2HB LYS 25 2.293 -3.010 -8.874 161 1HG LYS 25 1HG LYS 25 1.139 -4.583 -10.175 162 2HG LYS 25 2HG LYS 25 -0.155 -3.444 -10.552 163 1HD LYS 25 1HD LYS 25 1.584 -2.058 -11.752 164 2HD LYS 25 2HD LYS 25 2.682 -3.428 -11.564 165 1HE LYS 25 1HE LYS 25 0.753 -4.789 -12.643 166 2HE LYS 25 2HE LYS 25 0.176 -3.214 -13.187 167 1HZ LYS 25 1HZ LYS 25 2.651 -2.996 -13.969 168 2HZ LYS 25 2HZ LYS 25 1.505 -3.791 -14.925 169 3HZ LYS 25 3HZ LYS 25 2.582 -4.686 -13.975 170 H VAL 26 H VAL 26 2.295 -4.253 -7.295 171 HA VAL 26 HA VAL 26 1.438 -6.821 -7.517 172 HB VAL 26 HB VAL 26 3.677 -5.760 -6.536 173 1HG1 VAL 26 1HG1 VAL 26 3.964 -6.087 -4.207 174 2HG1 VAL 26 2HG1 VAL 26 2.467 -5.173 -4.400 175 3HG1 VAL 26 3HG1 VAL 26 2.408 -6.903 -4.059 176 1HG2 VAL 26 1HG2 VAL 26 2.790 -8.267 -7.130 177 2HG2 VAL 26 2HG2 VAL 26 4.431 -7.874 -6.616 178 3HG2 VAL 26 3HG2 VAL 26 3.251 -8.443 -5.436 179 H PHE 27 H PHE 27 0.701 -4.580 -4.900 180 HA PHE 27 HA PHE 27 -0.410 -6.265 -3.030 181 1HB PHE 27 1HB PHE 27 -0.194 -3.980 -2.451 182 2HB PHE 27 2HB PHE 27 -1.140 -3.457 -3.841 183 HD1 PHE 27 1HD PHE 27 -1.202 -4.195 -0.385 184 HD2 PHE 27 2HD PHE 27 -3.618 -4.193 -3.889 185 HE1 PHE 27 1HE PHE 27 -3.225 -4.159 1.014 186 HE2 PHE 27 2HE PHE 27 -5.645 -4.156 -2.496 187 HZ PHE 27 HZ PHE 27 -5.450 -4.138 -0.041 188 H VAL 28 H VAL 28 -2.008 -4.807 -5.846 189 HA VAL 28 HA VAL 28 -4.299 -6.601 -5.409 190 HB VAL 28 HB VAL 28 -4.961 -4.285 -5.516 191 1HG1 VAL 28 1HG1 VAL 28 -4.482 -3.478 -8.142 192 2HG1 VAL 28 2HG1 VAL 28 -3.713 -2.857 -6.680 193 3HG1 VAL 28 3HG1 VAL 28 -2.958 -4.168 -7.587 194 1HG2 VAL 28 1HG2 VAL 28 -6.758 -4.626 -6.844 195 2HG2 VAL 28 2HG2 VAL 28 -5.780 -5.105 -8.231 196 3HG2 VAL 28 3HG2 VAL 28 -6.103 -6.261 -6.939 197 H SER 29 H SER 29 -1.516 -6.737 -6.966 198 HA SER 29 HA SER 29 -2.596 -7.737 -9.504 199 1HB SER 29 1HB SER 29 -0.549 -6.069 -9.207 200 2HB SER 29 2HB SER 29 0.342 -7.575 -8.994 201 HG SER 29 HG SER 29 0.046 -6.657 -11.225 202 H VAL 30 H VAL 30 -0.361 -8.670 -6.900 203 HA VAL 30 HA VAL 30 -0.661 -11.477 -7.734 204 HB VAL 30 HB VAL 30 1.401 -11.980 -6.691 205 1HG1 VAL 30 1HG1 VAL 30 2.952 -10.187 -7.670 206 2HG1 VAL 30 2HG1 VAL 30 1.868 -11.033 -8.776 207 3HG1 VAL 30 3HG1 VAL 30 1.473 -9.403 -8.227 208 1HG2 VAL 30 1HG2 VAL 30 1.093 -10.731 -4.630 209 2HG2 VAL 30 2HG2 VAL 30 2.662 -10.356 -5.342 210 3HG2 VAL 30 3HG2 VAL 30 1.330 -9.211 -5.493 211 H THR 31 H THR 31 -0.660 -9.346 -4.903 212 HA THR 31 HA THR 31 -2.763 -10.714 -3.625 213 HB THR 31 HB THR 31 -1.028 -12.446 -3.276 214 HG1 THR 31 1HG THR 31 -1.753 -12.795 -1.279 215 1HG2 THR 31 1HG2 THR 31 0.451 -11.087 -1.210 216 2HG2 THR 31 2HG2 THR 31 0.625 -10.244 -2.750 217 3HG2 THR 31 3HG2 THR 31 1.047 -11.952 -2.626 218 H LYS 32 H LYS 32 -3.531 -9.599 -1.854 219 HA LYS 32 HA LYS 32 -2.492 -6.933 -1.511 220 1HB LYS 32 1HB LYS 32 -4.764 -8.284 -0.044 221 2HB LYS 32 2HB LYS 32 -4.441 -6.557 -0.115 222 1HG LYS 32 1HG LYS 32 -4.712 -6.843 -2.665 223 2HG LYS 32 2HG LYS 32 -5.499 -8.366 -2.246 224 1HD LYS 32 1HD LYS 32 -6.299 -5.649 -1.203 225 2HD LYS 32 2HD LYS 32 -7.104 -6.511 -2.516 226 1HE LYS 32 1HE LYS 32 -7.284 -8.427 -0.745 227 2HE LYS 32 2HE LYS 32 -7.056 -7.114 0.408 228 1HZ LYS 32 1HZ LYS 32 -9.428 -7.750 -0.273 229 2HZ LYS 32 2HZ LYS 32 -9.101 -6.918 -1.709 230 3HZ LYS 32 3HZ LYS 32 -9.026 -6.107 -0.226 231 H TYR 33 H TYR 33 -2.094 -9.949 0.034 232 HA TYR 33 HA TYR 33 -0.715 -8.620 2.269 233 1HB TYR 33 1HB TYR 33 -2.679 -10.876 2.331 234 2HB TYR 33 2HB TYR 33 -1.383 -10.840 3.521 235 HD1 TYR 33 1HD TYR 33 -1.933 -9.913 5.552 236 HD2 TYR 33 2HD TYR 33 -3.834 -8.422 2.049 237 HE1 TYR 33 1HE TYR 33 -3.239 -8.352 6.933 238 HE2 TYR 33 2HE TYR 33 -5.144 -6.856 3.420 239 HH TYR 33 HH TYR 33 -5.833 -6.438 5.587 240 HA PRO 34 HA PRO 34 2.266 -11.326 0.028 241 1HB PRO 34 1HB PRO 34 4.357 -9.619 0.318 242 2HB PRO 34 2HB PRO 34 3.185 -9.488 -1.000 243 1HG PRO 34 1HG PRO 34 3.325 -7.959 1.570 244 2HG PRO 34 2HG PRO 34 2.986 -7.367 -0.067 245 1HD PRO 34 1HD PRO 34 1.033 -7.819 1.754 246 2HD PRO 34 2HD PRO 34 0.783 -8.043 0.010 247 H ASP 35 H ASP 35 4.269 -12.295 0.807 248 HA ASP 35 HA ASP 35 4.459 -12.241 3.748 249 1HB ASP 35 1HB ASP 35 4.769 -14.533 1.811 250 2HB ASP 35 2HB ASP 35 5.335 -14.619 3.477 251 H GLU 36 H GLU 36 6.554 -12.585 4.675 252 HA GLU 36 HA GLU 36 8.567 -11.003 3.875 253 1HB GLU 36 1HB GLU 36 8.741 -12.090 5.984 254 2HB GLU 36 2HB GLU 36 8.754 -13.683 5.241 255 1HG GLU 36 1HG GLU 36 10.928 -11.761 4.580 256 2HG GLU 36 2HG GLU 36 10.956 -12.598 6.131 257 H LYS 37 H LYS 37 7.755 -14.078 2.479 258 HA LYS 37 HA LYS 37 10.098 -14.744 1.155 259 1HB LYS 37 1HB LYS 37 7.199 -15.221 0.613 260 2HB LYS 37 2HB LYS 37 8.369 -15.640 -0.631 261 1HG LYS 37 1HG LYS 37 8.688 -16.614 2.182 262 2HG LYS 37 2HG LYS 37 7.647 -17.453 1.030 263 1HD LYS 37 1HD LYS 37 9.466 -17.905 -0.422 264 2HD LYS 37 2HD LYS 37 10.525 -16.791 0.446 265 1HE LYS 37 1HE LYS 37 9.328 -19.205 1.773 266 2HE LYS 37 2HE LYS 37 10.833 -19.298 0.860 267 1HZ LYS 37 1HZ LYS 37 10.279 -17.802 3.345 268 2HZ LYS 37 2HZ LYS 37 11.580 -17.384 2.349 269 3HZ LYS 37 3HZ LYS 37 11.504 -18.927 3.039 270 H ARG 38 H ARG 38 7.353 -12.899 -0.190 271 HA ARG 38 HA ARG 38 8.727 -12.154 -2.551 272 1HB ARG 38 1HB ARG 38 6.166 -12.165 -1.977 273 2HB ARG 38 2HB ARG 38 6.479 -10.519 -1.441 274 1HG ARG 38 1HG ARG 38 7.295 -9.928 -3.647 275 2HG ARG 38 2HG ARG 38 7.062 -11.590 -4.194 276 1HD ARG 38 1HD ARG 38 4.602 -11.129 -3.311 277 2HD ARG 38 2HD ARG 38 5.062 -9.462 -3.653 278 HE ARG 38 HE ARG 38 4.725 -9.937 -5.848 279 1HH1 ARG 38 2HH1 ARG 38 5.626 -12.883 -4.227 280 2HH1 ARG 38 1HH1 ARG 38 5.496 -13.860 -5.652 281 1HH2 ARG 38 2HH2 ARG 38 4.550 -11.212 -7.731 282 2HH2 ARG 38 1HH2 ARG 38 4.885 -12.908 -7.645 283 H LEU 39 H LEU 39 8.345 -10.649 0.600 284 HA LEU 39 HA LEU 39 9.183 -8.072 0.085 285 1HB LEU 39 1HB LEU 39 9.394 -9.883 2.438 286 2HB LEU 39 2HB LEU 39 10.277 -8.358 2.467 287 HG LEU 39 HG LEU 39 8.117 -8.206 3.618 288 1HD1 LEU 39 1HD1 LEU 39 8.108 -6.603 1.068 289 2HD1 LEU 39 2HD1 LEU 39 9.135 -6.253 2.458 290 3HD1 LEU 39 3HD1 LEU 39 7.381 -6.165 2.614 291 1HD2 LEU 39 1HD2 LEU 39 7.103 -9.886 1.860 292 2HD2 LEU 39 2HD2 LEU 39 6.669 -8.394 1.024 293 3HD2 LEU 39 3HD2 LEU 39 6.093 -8.686 2.666 294 H LYS 40 H LYS 40 11.057 -11.008 0.229 295 HA LYS 40 HA LYS 40 13.620 -10.036 0.595 296 1HB LYS 40 1HB LYS 40 12.498 -12.373 -0.901 297 2HB LYS 40 2HB LYS 40 14.212 -12.005 -1.045 298 1HG LYS 40 1HG LYS 40 12.928 -12.268 1.644 299 2HG LYS 40 2HG LYS 40 13.443 -13.693 0.738 300 1HD LYS 40 1HD LYS 40 15.294 -11.380 1.243 301 2HD LYS 40 2HD LYS 40 15.099 -12.688 2.412 302 1HE LYS 40 1HE LYS 40 15.832 -14.311 0.794 303 2HE LYS 40 2HE LYS 40 15.867 -13.089 -0.476 304 1HZ LYS 40 1HZ LYS 40 17.972 -12.738 0.062 305 2HZ LYS 40 2HZ LYS 40 17.873 -13.757 1.408 306 3HZ LYS 40 3HZ LYS 40 17.465 -12.122 1.555 307 H GLY 41 H GLY 41 11.818 -10.375 -2.456 308 1HA GLY 41 1HA GLY 41 13.864 -9.369 -4.123 309 2HA GLY 41 2HA GLY 41 12.155 -9.439 -4.525 310 H LEU 42 H LEU 42 10.820 -7.723 -3.264 311 HA LEU 42 HA LEU 42 11.341 -5.236 -4.206 312 1HB LEU 42 1HB LEU 42 9.928 -6.086 -1.698 313 2HB LEU 42 2HB LEU 42 10.006 -4.395 -2.189 314 HG LEU 42 HG LEU 42 8.862 -6.544 -3.958 315 1HD1 LEU 42 1HD1 LEU 42 7.216 -6.733 -2.458 316 2HD1 LEU 42 2HD1 LEU 42 6.722 -5.134 -3.014 317 3HD1 LEU 42 3HD1 LEU 42 7.726 -5.296 -1.573 318 1HD2 LEU 42 1HD2 LEU 42 7.604 -4.357 -4.695 319 2HD2 LEU 42 2HD2 LEU 42 9.216 -4.728 -5.309 320 3HD2 LEU 42 3HD2 LEU 42 9.017 -3.570 -3.992 321 H SER 43 H SER 43 12.422 -6.535 -1.091 322 HA SER 43 HA SER 43 13.505 -4.407 0.162 323 1HB SER 43 1HB SER 43 13.661 -6.677 1.057 324 2HB SER 43 2HB SER 43 14.843 -7.102 -0.181 325 HG SER 43 HG SER 43 15.507 -4.870 1.270 326 H LYS 44 H LYS 44 14.924 -6.096 -2.599 327 HA LYS 44 HA LYS 44 17.187 -4.269 -2.659 328 1HB LYS 44 1HB LYS 44 17.206 -6.819 -3.199 329 2HB LYS 44 2HB LYS 44 16.599 -6.319 -4.772 330 1HG LYS 44 1HG LYS 44 19.047 -5.027 -3.662 331 2HG LYS 44 2HG LYS 44 19.151 -6.632 -4.389 332 1HD LYS 44 1HD LYS 44 17.739 -4.456 -5.863 333 2HD LYS 44 2HD LYS 44 19.504 -4.475 -5.842 334 1HE LYS 44 1HE LYS 44 17.831 -6.852 -6.630 335 2HE LYS 44 2HE LYS 44 18.414 -5.655 -7.786 336 1HZ LYS 44 1HZ LYS 44 20.551 -6.360 -7.584 337 2HZ LYS 44 2HZ LYS 44 19.769 -7.824 -7.258 338 3HZ LYS 44 3HZ LYS 44 20.365 -6.883 -5.985 339 H GLN 45 H GLN 45 14.368 -5.091 -4.643 340 HA GLN 45 HA GLN 45 14.769 -3.546 -6.858 341 1HB GLN 45 1HB GLN 45 12.789 -5.037 -6.346 342 2HB GLN 45 2HB GLN 45 12.115 -3.694 -5.431 343 1HG GLN 45 1HG GLN 45 11.886 -2.363 -7.359 344 2HG GLN 45 2HG GLN 45 12.898 -3.443 -8.317 345 1HE2 GLN 45 1HE2 GLN 45 10.293 -2.564 -9.002 346 2HE2 GLN 45 2HE2 GLN 45 9.270 -3.954 -9.069 347 H LEU 46 H LEU 46 13.237 -2.452 -3.833 348 HA LEU 46 HA LEU 46 13.679 0.323 -4.697 349 1HB LEU 46 1HB LEU 46 11.869 -0.725 -2.527 350 2HB LEU 46 2HB LEU 46 11.995 0.950 -3.060 351 HG LEU 46 HG LEU 46 11.204 -1.123 -5.049 352 1HD1 LEU 46 1HD1 LEU 46 9.892 -1.278 -2.772 353 2HD1 LEU 46 2HD1 LEU 46 9.053 -1.363 -4.321 354 3HD1 LEU 46 3HD1 LEU 46 9.073 0.147 -3.411 355 1HD2 LEU 46 1HD2 LEU 46 11.359 1.708 -4.905 356 2HD2 LEU 46 2HD2 LEU 46 9.663 1.261 -5.094 357 3HD2 LEU 46 3HD2 LEU 46 10.859 0.700 -6.264 358 H ASP 47 H ASP 47 15.680 -1.511 -3.490 359 HA ASP 47 HA ASP 47 17.155 -1.631 -1.721 360 1HB ASP 47 1HB ASP 47 17.118 1.374 -1.890 361 2HB ASP 47 2HB ASP 47 18.488 0.306 -1.596 362 H TRP 48 H TRP 48 14.617 -1.843 -0.690 363 HA TRP 48 HA TRP 48 14.688 -0.130 1.705 364 1HB TRP 48 1HB TRP 48 12.463 -1.305 0.115 365 2HB TRP 48 2HB TRP 48 12.234 -1.176 1.857 366 HD1 TRP 48 HD TRP 48 14.279 1.573 0.278 367 HE1 TRP 48 1HE TRP 48 12.899 3.745 0.229 368 HE3 TRP 48 3HE TRP 48 9.728 -0.329 1.619 369 HZ2 TRP 48 2HZ TRP 48 10.233 4.545 0.697 370 HZ3 TRP 48 3HZ TRP 48 7.814 1.207 1.797 371 HH2 TRP 48 HH TRP 48 8.063 3.594 1.345 372 H SER 49 H SER 49 13.375 -1.400 3.557 373 HA SER 49 HA SER 49 14.815 -3.945 3.888 374 1HB SER 49 1HB SER 49 14.017 -1.786 5.801 375 2HB SER 49 2HB SER 49 14.176 -3.438 6.396 376 HG SER 49 HG SER 49 16.318 -3.403 5.429 377 H VAL 50 H VAL 50 13.747 -5.777 4.537 378 HA VAL 50 HA VAL 50 11.236 -6.340 3.690 379 HB VAL 50 HB VAL 50 12.679 -8.109 4.440 380 1HG1 VAL 50 1HG1 VAL 50 13.812 -7.009 6.260 381 2HG1 VAL 50 2HG1 VAL 50 12.320 -6.952 7.202 382 3HG1 VAL 50 3HG1 VAL 50 13.085 -8.502 6.851 383 1HG2 VAL 50 1HG2 VAL 50 10.079 -7.888 5.930 384 2HG2 VAL 50 2HG2 VAL 50 10.426 -8.785 4.452 385 3HG2 VAL 50 3HG2 VAL 50 11.077 -9.341 5.994 386 H ARG 51 H ARG 51 12.116 -4.992 6.835 387 HA ARG 51 HA ARG 51 9.470 -5.067 7.896 388 1HB ARG 51 1HB ARG 51 11.933 -3.526 8.721 389 2HB ARG 51 2HB ARG 51 10.422 -3.502 9.621 390 1HG ARG 51 1HG ARG 51 11.664 -6.131 8.999 391 2HG ARG 51 2HG ARG 51 12.373 -5.132 10.269 392 1HD ARG 51 1HD ARG 51 9.428 -5.663 10.218 393 2HD ARG 51 2HD ARG 51 10.539 -6.862 10.880 394 HE ARG 51 HE ARG 51 11.028 -4.300 11.995 395 1HH1 ARG 51 2HH1 ARG 51 8.829 -6.995 12.126 396 2HH1 ARG 51 1HH1 ARG 51 8.357 -6.699 13.766 397 1HH2 ARG 51 2HH2 ARG 51 10.415 -3.899 14.155 398 2HH2 ARG 51 1HH2 ARG 51 9.259 -4.937 14.920 399 H LYS 52 H LYS 52 11.510 -2.360 6.780 400 HA LYS 52 HA LYS 52 9.716 -0.301 6.980 401 1HB LYS 52 1HB LYS 52 12.105 -0.117 6.262 402 2HB LYS 52 2HB LYS 52 11.626 -0.690 4.670 403 1HG LYS 52 1HG LYS 52 10.367 1.251 4.237 404 2HG LYS 52 2HG LYS 52 10.423 1.756 5.927 405 1HD LYS 52 1HD LYS 52 12.977 1.834 5.592 406 2HD LYS 52 2HD LYS 52 12.604 1.813 3.867 407 1HE LYS 52 1HE LYS 52 12.712 4.076 4.296 408 2HE LYS 52 2HE LYS 52 10.986 3.761 4.472 409 1HZ LYS 52 1HZ LYS 52 12.972 4.024 6.662 410 2HZ LYS 52 2HZ LYS 52 11.359 3.568 6.889 411 3HZ LYS 52 3HZ LYS 52 11.726 5.106 6.288 412 H ILE 53 H ILE 53 10.148 -2.423 4.150 413 HA ILE 53 HA ILE 53 8.193 -1.342 2.515 414 HB ILE 53 HB ILE 53 8.938 -4.261 2.744 415 1HG1 ILE 53 1HG1 ILE 53 10.015 -2.313 0.723 416 2HG1 ILE 53 2HG1 ILE 53 10.766 -2.471 2.307 417 1HG2 ILE 53 1HG2 ILE 53 7.963 -2.942 0.249 418 2HG2 ILE 53 2HG2 ILE 53 7.917 -4.642 0.711 419 3HG2 ILE 53 3HG2 ILE 53 6.807 -3.495 1.460 420 1HD1 ILE 53 1HD1 ILE 53 10.515 -5.077 1.413 421 2HD1 ILE 53 2HD1 ILE 53 10.985 -4.162 -0.020 422 3HD1 ILE 53 3HD1 ILE 53 11.983 -4.101 1.433 423 H GLN 54 H GLN 54 7.804 -4.226 4.586 424 HA GLN 54 HA GLN 54 5.196 -4.796 4.307 425 1HB GLN 54 1HB GLN 54 6.842 -4.704 6.825 426 2HB GLN 54 2HB GLN 54 5.184 -5.291 6.828 427 1HG GLN 54 1HG GLN 54 5.711 -7.111 5.445 428 2HG GLN 54 2HG GLN 54 7.267 -6.419 4.991 429 1HE2 GLN 54 1HE2 GLN 54 6.707 -9.031 6.092 430 2HE2 GLN 54 2HE2 GLN 54 7.590 -9.143 7.572 431 H CYS 55 H CYS 55 6.429 -2.247 6.461 432 HA CYS 55 HA CYS 55 4.037 -1.356 7.514 433 1HB CYS 55 1HB CYS 55 6.425 -0.598 8.059 434 2HB CYS 55 2HB CYS 55 6.252 0.524 6.715 435 HG CYS 55 HG CYS 55 3.607 1.009 8.450 436 H TRP 56 H TRP 56 5.590 -0.409 4.472 437 HA TRP 56 HA TRP 56 3.824 1.597 3.701 438 1HB TRP 56 1HB TRP 56 5.955 1.116 2.551 439 2HB TRP 56 2HB TRP 56 5.265 -0.374 1.913 440 HD1 TRP 56 HD TRP 56 5.540 3.289 1.201 441 HE1 TRP 56 1HE TRP 56 4.224 3.865 -0.935 442 HE3 TRP 56 3HE TRP 56 3.001 -1.108 0.601 443 HZ2 TRP 56 2HZ TRP 56 2.356 2.621 -2.646 444 HZ3 TRP 56 3HZ TRP 56 1.469 -1.333 -1.310 445 HH2 TRP 56 HH TRP 56 1.153 0.494 -2.899 446 H PHE 57 H PHE 57 3.656 -1.900 3.139 447 HA PHE 57 HA PHE 57 1.386 -1.934 1.514 448 1HB PHE 57 1HB PHE 57 2.734 -3.908 3.294 449 2HB PHE 57 2HB PHE 57 1.105 -4.283 2.740 450 HD1 PHE 57 1HD PHE 57 4.595 -3.968 1.811 451 HD2 PHE 57 2HD PHE 57 0.645 -4.566 0.344 452 HE1 PHE 57 1HE PHE 57 5.514 -4.777 -0.323 453 HE2 PHE 57 2HE PHE 57 1.558 -5.377 -1.792 454 HZ PHE 57 HZ PHE 57 3.995 -5.484 -2.128 455 H ARG 58 H ARG 58 1.638 -2.239 5.049 456 HA ARG 58 HA ARG 58 -1.050 -2.573 5.637 457 1HB ARG 58 1HB ARG 58 1.235 -1.352 7.151 458 2HB ARG 58 2HB ARG 58 -0.387 -1.334 7.828 459 1HG ARG 58 1HG ARG 58 -0.349 -3.879 7.347 460 2HG ARG 58 2HG ARG 58 1.400 -3.658 7.267 461 1HD ARG 58 1HD ARG 58 1.452 -2.796 9.505 462 2HD ARG 58 2HD ARG 58 -0.309 -2.777 9.587 463 HE ARG 58 HE ARG 58 0.592 -5.395 9.058 464 1HH1 ARG 58 2HH1 ARG 58 0.473 -3.031 11.612 465 2HH1 ARG 58 1HH1 ARG 58 0.458 -4.211 12.880 466 1HH2 ARG 58 2HH2 ARG 58 0.572 -6.958 10.719 467 2HH2 ARG 58 1HH2 ARG 58 0.515 -6.444 12.372 468 H HIS 59 H HIS 59 0.793 0.442 5.292 469 HA HIS 59 HA HIS 59 -1.294 2.207 5.922 470 1HB HIS 59 1HB HIS 59 1.219 2.695 5.658 471 2HB HIS 59 2HB HIS 59 0.880 2.845 3.936 472 HD1 HIS 59 1HD HIS 59 1.894 5.236 5.627 473 HD2 HIS 59 2HD HIS 59 -2.099 4.464 4.782 474 HE1 HIS 59 1HE HIS 59 0.719 7.448 5.855 475 HE2 HIS 59 2HE HIS 59 -1.709 6.940 5.422 476 H ARG 60 H ARG 60 -0.197 0.945 2.788 477 HA ARG 60 HA ARG 60 -1.715 2.308 1.013 478 1HB ARG 60 1HB ARG 60 -0.242 0.583 0.245 479 2HB ARG 60 2HB ARG 60 -1.158 -0.656 1.091 480 1HG ARG 60 1HG ARG 60 -1.809 -0.929 -1.111 481 2HG ARG 60 2HG ARG 60 -3.109 0.054 -0.433 482 1HD ARG 60 1HD ARG 60 -1.600 2.040 -1.255 483 2HD ARG 60 2HD ARG 60 -0.942 0.812 -2.335 484 HE ARG 60 HE ARG 60 -2.893 0.869 -3.534 485 1HH1 ARG 60 2HH1 ARG 60 -3.385 2.440 -0.467 486 2HH1 ARG 60 1HH1 ARG 60 -4.959 3.038 -0.878 487 1HH2 ARG 60 2HH2 ARG 60 -4.963 1.650 -4.088 488 2HH2 ARG 60 1HH2 ARG 60 -5.856 2.587 -2.937 489 H ARG 61 H ARG 61 -2.869 -0.771 2.402 490 HA ARG 61 HA ARG 61 -5.403 -0.889 1.577 491 1HB ARG 61 1HB ARG 61 -4.402 -1.351 4.386 492 2HB ARG 61 2HB ARG 61 -6.024 -1.786 3.864 493 1HG ARG 61 1HG ARG 61 -5.108 -3.306 2.207 494 2HG ARG 61 2HG ARG 61 -3.470 -2.840 2.669 495 1HD ARG 61 1HD ARG 61 -3.894 -4.877 3.779 496 2HD ARG 61 2HD ARG 61 -4.053 -3.619 5.005 497 HE ARG 61 HE ARG 61 -6.156 -5.307 3.950 498 1HH1 ARG 61 2HH1 ARG 61 -5.335 -2.439 5.745 499 2HH1 ARG 61 1HH1 ARG 61 -6.863 -2.352 6.556 500 1HH2 ARG 61 2HH2 ARG 61 -8.172 -5.202 5.012 501 2HH2 ARG 61 1HH2 ARG 61 -8.476 -3.924 6.139 502 H ASN 62 H ASN 62 -4.631 0.825 4.614 503 HA ASN 62 HA ASN 62 -7.079 2.020 5.023 504 1HB ASN 62 1HB ASN 62 -4.425 3.334 5.630 505 2HB ASN 62 2HB ASN 62 -5.956 3.586 6.464 506 1HD2 ASN 62 1HD2 ASN 62 -3.057 2.141 6.714 507 2HD2 ASN 62 2HD2 ASN 62 -3.453 0.848 7.790 508 H GLN 63 H GLN 63 -4.373 3.181 3.062 509 HA GLN 63 HA GLN 63 -5.451 5.691 2.406 510 1HB GLN 63 1HB GLN 63 -3.065 4.638 2.011 511 2HB GLN 63 2HB GLN 63 -3.749 4.209 0.448 512 1HG GLN 63 1HG GLN 63 -2.613 6.263 0.176 513 2HG GLN 63 2HG GLN 63 -4.339 6.617 0.140 514 1HE2 GLN 63 1HE2 GLN 63 -2.344 8.516 0.658 515 2HE2 GLN 63 2HE2 GLN 63 -2.538 9.079 2.280 516 H ASP 64 H ASP 64 -5.696 2.543 0.805 517 HA ASP 64 HA ASP 64 -6.979 3.267 -1.527 518 1HB ASP 64 1HB ASP 64 -6.196 0.962 -0.901 519 2HB ASP 64 2HB ASP 64 -7.637 0.806 0.100 520 H LYS 65 H LYS 65 -8.366 2.747 1.680 521 HA LYS 65 HA LYS 65 -11.005 2.665 1.374 522 1HB LYS 65 1HB LYS 65 -9.586 3.155 3.499 523 2HB LYS 65 2HB LYS 65 -9.932 4.842 3.141 524 1HG LYS 65 1HG LYS 65 -12.397 4.091 3.073 525 2HG LYS 65 2HG LYS 65 -11.817 2.658 3.925 526 1HD LYS 65 1HD LYS 65 -11.086 5.389 4.906 527 2HD LYS 65 2HD LYS 65 -12.671 4.707 5.282 528 1HE LYS 65 1HE LYS 65 -11.332 4.100 7.101 529 2HE LYS 65 2HE LYS 65 -11.387 2.651 6.099 530 1HZ LYS 65 1HZ LYS 65 -9.137 3.642 7.048 531 2HZ LYS 65 2HZ LYS 65 -9.203 4.515 5.600 532 3HZ LYS 65 3HZ LYS 65 -9.211 2.823 5.569 533 HA PRO 66 HA PRO 66 -11.537 6.132 -1.515 534 1HB PRO 66 1HB PRO 66 -13.867 5.187 -2.539 535 2HB PRO 66 2HB PRO 66 -12.282 4.622 -3.078 536 1HG PRO 66 1HG PRO 66 -14.186 3.359 -1.144 537 2HG PRO 66 2HG PRO 66 -13.236 2.601 -2.435 538 1HD PRO 66 1HD PRO 66 -12.488 2.517 0.167 539 2HD PRO 66 2HD PRO 66 -11.313 2.555 -1.164 540 H SER 67 H SER 67 -12.961 5.287 1.330 541 HA SER 67 HA SER 67 -15.424 6.259 1.623 542 1HB SER 67 1HB SER 67 -13.558 5.682 3.408 543 2HB SER 67 2HB SER 67 -13.406 7.437 3.489 544 HG SER 67 HG SER 67 -15.058 7.318 4.775 545 H GLY 68 H GLY 68 -16.443 7.933 0.752 546 1HA GLY 68 1HA GLY 68 -15.345 10.605 1.062 547 2HA GLY 68 2HA GLY 68 -15.541 10.061 -0.597 548 HA PRO 69 HA PRO 69 -19.924 10.475 1.484 549 1HB PRO 69 1HB PRO 69 -19.997 12.222 3.561 550 2HB PRO 69 2HB PRO 69 -19.730 10.487 3.773 551 1HG PRO 69 1HG PRO 69 -17.735 12.719 3.723 552 2HG PRO 69 2HG PRO 69 -17.823 11.321 4.811 553 1HD PRO 69 1HD PRO 69 -16.127 11.422 2.702 554 2HD PRO 69 2HD PRO 69 -16.851 9.905 3.273 555 H SER 70 H SER 70 -19.990 11.575 -0.570 556 HA SER 70 HA SER 70 -20.013 14.513 -0.331 557 1HB SER 70 1HB SER 70 -18.323 13.857 -1.911 558 2HB SER 70 2HB SER 70 -19.436 12.759 -2.727 559 HG SER 70 HG SER 70 -19.899 14.400 -3.941 560 H SER 71 H SER 71 -22.017 15.252 -0.153 561 HA SER 71 HA SER 71 -24.331 13.800 -0.845 562 1HB SER 71 1HB SER 71 -25.561 15.811 -0.293 563 2HB SER 71 2HB SER 71 -24.242 15.624 0.862 564 HG SER 71 HG SER 71 -23.973 17.662 0.274 565 H GLY 72 H GLY 72 -22.719 16.542 -2.440 566 1HA GLY 72 1HA GLY 72 -22.736 15.999 -4.994 567 2HA GLY 72 2HA GLY 72 -24.469 16.181 -4.766 Start of MODEL 9 1 1H GLY 1 H GLY 1 -35.054 1.488 10.647 2 1HA GLY 1 1HA GLY 1 -32.777 0.097 9.451 3 2HA GLY 1 2HA GLY 1 -33.966 1.069 8.595 4 H SER 2 H SER 2 -31.704 1.694 7.688 5 HA SER 2 HA SER 2 -31.167 4.340 8.609 6 1HB SER 2 1HB SER 2 -29.848 2.788 10.195 7 2HB SER 2 2HB SER 2 -28.804 2.482 8.808 8 HG SER 2 HG SER 2 -29.309 4.945 10.108 9 H SER 3 H SER 3 -29.257 5.294 7.350 10 HA SER 3 HA SER 3 -28.363 4.038 4.977 11 1HB SER 3 1HB SER 3 -30.888 4.574 4.565 12 2HB SER 3 2HB SER 3 -30.321 6.232 4.370 13 HG SER 3 HG SER 3 -29.232 4.033 2.953 14 H GLY 4 H GLY 4 -27.467 5.797 3.399 15 1HA GLY 4 1HA GLY 4 -26.846 8.296 3.608 16 2HA GLY 4 2HA GLY 4 -26.076 7.759 5.094 17 H SER 5 H SER 5 -24.259 6.357 4.967 18 HA SER 5 HA SER 5 -22.112 6.131 4.136 19 1HB SER 5 1HB SER 5 -22.024 4.386 2.466 20 2HB SER 5 2HB SER 5 -23.377 4.050 3.547 21 HG SER 5 HG SER 5 -24.616 5.297 1.847 22 H SER 6 H SER 6 -23.044 8.655 3.435 23 HA SER 6 HA SER 6 -21.726 9.013 0.834 24 1HB SER 6 1HB SER 6 -24.399 10.073 1.703 25 2HB SER 6 2HB SER 6 -23.425 10.975 0.542 26 HG SER 6 HG SER 6 -23.336 8.915 -0.652 27 H GLY 7 H GLY 7 -21.194 11.418 0.493 28 1HA GLY 7 1HA GLY 7 -20.948 13.497 2.003 29 2HA GLY 7 2HA GLY 7 -20.015 12.396 3.006 30 H GLY 8 H GLY 8 -18.704 14.563 2.277 31 1HA GLY 8 1HA GLY 8 -16.592 13.519 0.628 32 2HA GLY 8 2HA GLY 8 -17.471 14.831 -0.141 33 H ILE 9 H ILE 9 -17.632 16.874 1.108 34 HA ILE 9 HA ILE 9 -16.284 18.651 1.764 35 HB ILE 9 HB ILE 9 -17.649 17.956 3.724 36 1HG1 ILE 9 1HG1 ILE 9 -14.987 18.881 4.752 37 2HG1 ILE 9 2HG1 ILE 9 -15.892 19.891 3.629 38 1HG2 ILE 9 1HG2 ILE 9 -16.830 16.574 5.422 39 2HG2 ILE 9 2HG2 ILE 9 -16.378 15.744 3.934 40 3HG2 ILE 9 3HG2 ILE 9 -15.173 16.671 4.826 41 1HD1 ILE 9 1HD1 ILE 9 -16.572 20.707 5.661 42 2HD1 ILE 9 2HD1 ILE 9 -17.840 19.531 5.313 43 3HD1 ILE 9 3HD1 ILE 9 -16.539 19.122 6.431 44 H LYS 10 H LYS 10 -14.643 16.951 0.350 45 HA LYS 10 HA LYS 10 -12.140 17.145 1.885 46 1HB LYS 10 1HB LYS 10 -13.023 14.766 1.574 47 2HB LYS 10 2HB LYS 10 -12.667 14.972 -0.136 48 1HG LYS 10 1HG LYS 10 -10.510 15.557 1.817 49 2HG LYS 10 2HG LYS 10 -10.942 13.871 1.526 50 1HD LYS 10 1HD LYS 10 -10.477 15.698 -0.792 51 2HD LYS 10 2HD LYS 10 -9.097 15.026 0.079 52 1HE LYS 10 1HE LYS 10 -10.386 12.769 -0.235 53 2HE LYS 10 2HE LYS 10 -11.183 13.638 -1.546 54 1HZ LYS 10 1HZ LYS 10 -9.293 12.475 -2.405 55 2HZ LYS 10 2HZ LYS 10 -8.267 13.163 -1.250 56 3HZ LYS 10 3HZ LYS 10 -8.958 14.133 -2.451 57 H ASP 11 H ASP 11 -11.118 18.817 0.978 58 HA ASP 11 HA ASP 11 -10.836 18.823 -1.953 59 1HB ASP 11 1HB ASP 11 -10.694 21.347 -1.761 60 2HB ASP 11 2HB ASP 11 -12.287 20.648 -1.483 61 H SER 12 H SER 12 -8.814 18.073 -2.213 62 HA SER 12 HA SER 12 -6.607 19.711 -1.480 63 1HB SER 12 1HB SER 12 -5.421 18.042 -0.075 64 2HB SER 12 2HB SER 12 -6.890 18.645 0.691 65 HG SER 12 HG SER 12 -7.770 16.625 -0.542 66 HA PRO 13 HA PRO 13 -4.863 17.693 -4.966 67 1HB PRO 13 1HB PRO 13 -2.212 17.972 -4.454 68 2HB PRO 13 2HB PRO 13 -3.243 19.322 -4.943 69 1HG PRO 13 1HG PRO 13 -2.313 18.543 -2.206 70 2HG PRO 13 2HG PRO 13 -2.407 20.155 -2.939 71 1HD PRO 13 1HD PRO 13 -4.275 19.228 -1.212 72 2HD PRO 13 2HD PRO 13 -4.669 20.344 -2.535 73 H VAL 14 H VAL 14 -3.656 15.844 -5.664 74 HA VAL 14 HA VAL 14 -3.862 13.624 -3.880 75 HB VAL 14 HB VAL 14 -4.302 13.084 -6.113 76 1HG1 VAL 14 1HG1 VAL 14 -3.499 14.820 -7.404 77 2HG1 VAL 14 2HG1 VAL 14 -1.876 14.721 -6.717 78 3HG1 VAL 14 3HG1 VAL 14 -2.424 13.502 -7.868 79 1HG2 VAL 14 1HG2 VAL 14 -2.954 11.264 -6.461 80 2HG2 VAL 14 2HG2 VAL 14 -1.475 12.147 -6.085 81 3HG2 VAL 14 3HG2 VAL 14 -2.550 11.634 -4.785 82 H ASN 15 H ASN 15 -2.357 12.714 -2.624 83 HA ASN 15 HA ASN 15 0.447 13.535 -2.990 84 1HB ASN 15 1HB ASN 15 -1.047 13.191 -0.382 85 2HB ASN 15 2HB ASN 15 0.691 13.447 -0.511 86 1HD2 ASN 15 1HD2 ASN 15 0.916 15.352 -2.392 87 2HD2 ASN 15 2HD2 ASN 15 0.141 16.809 -1.881 88 H LYS 16 H LYS 16 1.966 11.960 -2.863 89 HA LYS 16 HA LYS 16 0.983 9.212 -2.656 90 1HB LYS 16 1HB LYS 16 2.365 10.039 -4.632 91 2HB LYS 16 2HB LYS 16 3.733 10.092 -3.528 92 1HG LYS 16 1HG LYS 16 3.891 8.041 -4.664 93 2HG LYS 16 2HG LYS 16 3.284 7.653 -3.053 94 1HD LYS 16 1HD LYS 16 0.947 7.950 -4.275 95 2HD LYS 16 2HD LYS 16 1.915 7.524 -5.688 96 1HE LYS 16 1HE LYS 16 2.664 5.488 -4.562 97 2HE LYS 16 2HE LYS 16 1.712 5.918 -3.141 98 1HZ LYS 16 1HZ LYS 16 -0.173 6.006 -4.982 99 2HZ LYS 16 2HZ LYS 16 0.225 4.581 -4.162 100 3HZ LYS 16 3HZ LYS 16 0.839 4.863 -5.713 101 H VAL 17 H VAL 17 1.610 7.814 -1.100 102 HA VAL 17 HA VAL 17 2.665 8.794 1.321 103 HB VAL 17 HB VAL 17 2.736 6.456 2.056 104 1HG1 VAL 17 1HG1 VAL 17 0.616 7.310 2.350 105 2HG1 VAL 17 2HG1 VAL 17 0.336 7.500 0.618 106 3HG1 VAL 17 3HG1 VAL 17 0.288 5.896 1.350 107 1HG2 VAL 17 1HG2 VAL 17 3.551 5.269 0.201 108 2HG2 VAL 17 2HG2 VAL 17 1.882 4.728 0.384 109 3HG2 VAL 17 3HG2 VAL 17 2.296 5.903 -0.864 110 H GLU 18 H GLU 18 4.108 6.605 -1.096 111 HA GLU 18 HA GLU 18 6.724 7.719 -0.599 112 1HB GLU 18 1HB GLU 18 5.899 5.092 0.483 113 2HB GLU 18 2HB GLU 18 7.456 5.130 -0.333 114 1HG GLU 18 1HG GLU 18 8.418 6.438 1.252 115 2HG GLU 18 2HG GLU 18 6.908 7.252 1.658 116 HA PRO 19 HA PRO 19 7.473 6.571 -4.765 117 1HB PRO 19 1HB PRO 19 10.089 5.847 -4.741 118 2HB PRO 19 2HB PRO 19 9.555 7.523 -4.567 119 1HG PRO 19 1HG PRO 19 10.390 5.572 -2.456 120 2HG PRO 19 2HG PRO 19 10.800 7.289 -2.617 121 1HD PRO 19 1HD PRO 19 8.885 6.402 -0.921 122 2HD PRO 19 2HD PRO 19 8.791 7.982 -1.725 123 H ASN 20 H ASN 20 7.264 4.288 -2.408 124 HA ASN 20 HA ASN 20 8.210 2.015 -3.926 125 1HB ASN 20 1HB ASN 20 6.972 2.404 -1.226 126 2HB ASN 20 2HB ASN 20 6.979 0.798 -1.949 127 1HD2 ASN 20 1HD2 ASN 20 9.357 3.423 -1.987 128 2HD2 ASN 20 2HD2 ASN 20 10.648 2.494 -1.313 129 H ASP 21 H ASP 21 5.986 3.775 -4.910 130 HA ASP 21 HA ASP 21 3.477 2.731 -4.770 131 1HB ASP 21 1HB ASP 21 3.783 4.662 -6.101 132 2HB ASP 21 2HB ASP 21 4.973 3.865 -7.126 133 H THR 22 H THR 22 6.175 1.484 -6.678 134 HA THR 22 HA THR 22 5.162 -0.337 -8.336 135 HB THR 22 HB THR 22 7.438 -0.721 -6.401 136 HG1 THR 22 1HG THR 22 8.216 0.550 -7.925 137 1HG2 THR 22 1HG2 THR 22 6.210 -2.671 -8.265 138 2HG2 THR 22 2HG2 THR 22 7.105 -2.942 -6.769 139 3HG2 THR 22 3HG2 THR 22 7.970 -2.571 -8.260 140 H LEU 23 H LEU 23 5.021 -0.557 -4.842 141 HA LEU 23 HA LEU 23 4.132 -3.249 -4.704 142 1HB LEU 23 1HB LEU 23 4.063 -0.925 -2.815 143 2HB LEU 23 2HB LEU 23 3.264 -2.443 -2.413 144 HG LEU 23 HG LEU 23 5.321 -3.614 -2.342 145 1HD1 LEU 23 1HD1 LEU 23 6.694 -1.137 -3.372 146 2HD1 LEU 23 2HD1 LEU 23 6.302 -2.549 -4.353 147 3HD1 LEU 23 3HD1 LEU 23 7.437 -2.695 -3.011 148 1HD2 LEU 23 1HD2 LEU 23 4.741 -1.565 -0.627 149 2HD2 LEU 23 2HD2 LEU 23 6.405 -1.206 -1.088 150 3HD2 LEU 23 3HD2 LEU 23 6.002 -2.772 -0.383 151 H GLU 24 H GLU 24 2.406 -0.141 -4.540 152 HA GLU 24 HA GLU 24 -0.139 -0.788 -4.078 153 1HB GLU 24 1HB GLU 24 0.411 1.465 -4.663 154 2HB GLU 24 2HB GLU 24 0.890 0.991 -6.287 155 1HG GLU 24 1HG GLU 24 -1.608 0.173 -6.418 156 2HG GLU 24 2HG GLU 24 -1.821 1.368 -5.141 157 H LYS 25 H LYS 25 1.624 -1.628 -6.990 158 HA LYS 25 HA LYS 25 -0.657 -2.632 -8.400 159 1HB LYS 25 1HB LYS 25 2.297 -2.634 -8.828 160 2HB LYS 25 2HB LYS 25 1.324 -3.790 -9.729 161 1HG LYS 25 1HG LYS 25 -0.043 -1.911 -10.579 162 2HG LYS 25 2HG LYS 25 1.044 -0.792 -9.755 163 1HD LYS 25 1HD LYS 25 2.030 -2.820 -11.745 164 2HD LYS 25 2HD LYS 25 1.478 -1.214 -12.229 165 1HE LYS 25 1HE LYS 25 3.529 -1.524 -10.072 166 2HE LYS 25 2HE LYS 25 4.002 -1.622 -11.768 167 1HZ LYS 25 1HZ LYS 25 4.087 0.641 -10.608 168 2HZ LYS 25 2HZ LYS 25 2.404 0.651 -10.776 169 3HZ LYS 25 3HZ LYS 25 3.391 0.566 -12.148 170 H VAL 26 H VAL 26 2.245 -4.377 -7.279 171 HA VAL 26 HA VAL 26 1.374 -6.940 -7.486 172 HB VAL 26 HB VAL 26 3.596 -5.881 -6.460 173 1HG1 VAL 26 1HG1 VAL 26 3.817 -6.246 -4.111 174 2HG1 VAL 26 2HG1 VAL 26 2.388 -5.242 -4.365 175 3HG1 VAL 26 3HG1 VAL 26 2.209 -6.962 -4.014 176 1HG2 VAL 26 1HG2 VAL 26 3.465 -8.458 -5.296 177 2HG2 VAL 26 2HG2 VAL 26 2.509 -8.495 -6.778 178 3HG2 VAL 26 3HG2 VAL 26 4.197 -7.987 -6.830 179 H PHE 27 H PHE 27 0.595 -4.664 -4.909 180 HA PHE 27 HA PHE 27 -0.574 -6.314 -3.048 181 1HB PHE 27 1HB PHE 27 -0.371 -4.032 -2.482 182 2HB PHE 27 2HB PHE 27 -1.250 -3.512 -3.916 183 HD1 PHE 27 1HD PHE 27 -1.494 -4.566 -0.477 184 HD2 PHE 27 2HD PHE 27 -3.708 -3.859 -4.043 185 HE1 PHE 27 1HE PHE 27 -3.574 -4.488 0.834 186 HE2 PHE 27 2HE PHE 27 -5.791 -3.779 -2.737 187 HZ PHE 27 HZ PHE 27 -5.726 -4.092 -0.295 188 H VAL 28 H VAL 28 -2.101 -4.884 -5.918 189 HA VAL 28 HA VAL 28 -4.406 -6.668 -5.515 190 HB VAL 28 HB VAL 28 -5.067 -4.357 -5.659 191 1HG1 VAL 28 1HG1 VAL 28 -3.664 -2.997 -6.751 192 2HG1 VAL 28 2HG1 VAL 28 -3.070 -4.294 -7.791 193 3HG1 VAL 28 3HG1 VAL 28 -4.568 -3.454 -8.194 194 1HG2 VAL 28 1HG2 VAL 28 -6.818 -4.684 -7.060 195 2HG2 VAL 28 2HG2 VAL 28 -5.795 -5.218 -8.394 196 3HG2 VAL 28 3HG2 VAL 28 -6.185 -6.330 -7.082 197 H SER 29 H SER 29 -1.587 -6.816 -7.013 198 HA SER 29 HA SER 29 -2.610 -7.836 -9.566 199 1HB SER 29 1HB SER 29 -0.558 -6.180 -9.224 200 2HB SER 29 2HB SER 29 0.315 -7.694 -8.987 201 HG SER 29 HG SER 29 -0.371 -6.585 -11.268 202 H VAL 30 H VAL 30 -0.449 -8.764 -6.899 203 HA VAL 30 HA VAL 30 -0.758 -11.576 -7.714 204 HB VAL 30 HB VAL 30 1.281 -12.088 -6.620 205 1HG1 VAL 30 1HG1 VAL 30 1.789 -11.205 -8.722 206 2HG1 VAL 30 2HG1 VAL 30 1.404 -9.556 -8.225 207 3HG1 VAL 30 3HG1 VAL 30 2.867 -10.340 -7.626 208 1HG2 VAL 30 1HG2 VAL 30 2.550 -10.424 -5.312 209 2HG2 VAL 30 2HG2 VAL 30 1.208 -9.293 -5.487 210 3HG2 VAL 30 3HG2 VAL 30 0.982 -10.797 -4.594 211 H THR 31 H THR 31 -0.746 -9.428 -4.892 212 HA THR 31 HA THR 31 -2.892 -10.754 -3.633 213 HB THR 31 HB THR 31 -1.158 -12.498 -3.259 214 HG1 THR 31 1HG THR 31 -2.688 -12.533 -1.704 215 1HG2 THR 31 1HG2 THR 31 0.496 -10.327 -2.715 216 2HG2 THR 31 2HG2 THR 31 0.886 -12.032 -2.488 217 3HG2 THR 31 3HG2 THR 31 0.236 -11.089 -1.147 218 H LYS 32 H LYS 32 -3.657 -9.624 -1.864 219 HA LYS 32 HA LYS 32 -2.662 -6.952 -1.565 220 1HB LYS 32 1HB LYS 32 -4.855 -8.420 -0.088 221 2HB LYS 32 2HB LYS 32 -4.529 -6.697 0.046 222 1HG LYS 32 1HG LYS 32 -5.310 -6.248 -2.080 223 2HG LYS 32 2HG LYS 32 -5.080 -7.911 -2.627 224 1HD LYS 32 1HD LYS 32 -7.040 -8.635 -1.687 225 2HD LYS 32 2HD LYS 32 -7.014 -7.405 -0.421 226 1HE LYS 32 1HE LYS 32 -7.362 -5.754 -2.407 227 2HE LYS 32 2HE LYS 32 -7.923 -7.190 -3.262 228 1HZ LYS 32 1HZ LYS 32 -9.086 -5.884 -0.888 229 2HZ LYS 32 2HZ LYS 32 -9.408 -7.512 -1.214 230 3HZ LYS 32 3HZ LYS 32 -9.842 -6.323 -2.336 231 H TYR 33 H TYR 33 -2.411 -9.936 0.212 232 HA TYR 33 HA TYR 33 -0.842 -8.533 2.276 233 1HB TYR 33 1HB TYR 33 -2.584 -10.988 2.511 234 2HB TYR 33 2HB TYR 33 -1.433 -10.506 3.751 235 HD1 TYR 33 1HD TYR 33 -2.339 -9.393 5.546 236 HD2 TYR 33 2HD TYR 33 -4.115 -8.866 1.716 237 HE1 TYR 33 1HE TYR 33 -4.026 -7.904 6.540 238 HE2 TYR 33 2HE TYR 33 -5.806 -7.375 2.698 239 HH TYR 33 HH TYR 33 -6.621 -6.495 4.568 240 HA PRO 34 HA PRO 34 2.079 -11.270 -0.012 241 1HB PRO 34 1HB PRO 34 4.156 -9.526 0.130 242 2HB PRO 34 2HB PRO 34 2.927 -9.455 -1.138 243 1HG PRO 34 1HG PRO 34 3.155 -7.839 1.371 244 2HG PRO 34 2HG PRO 34 2.736 -7.307 -0.268 245 1HD PRO 34 1HD PRO 34 0.871 -7.723 1.650 246 2HD PRO 34 2HD PRO 34 0.550 -8.010 -0.073 247 H ASP 35 H ASP 35 4.049 -12.266 0.728 248 HA ASP 35 HA ASP 35 4.405 -12.069 3.647 249 1HB ASP 35 1HB ASP 35 4.926 -14.482 1.900 250 2HB ASP 35 2HB ASP 35 5.012 -14.415 3.658 251 H GLU 36 H GLU 36 6.565 -12.516 4.463 252 HA GLU 36 HA GLU 36 8.544 -10.939 3.581 253 1HB GLU 36 1HB GLU 36 8.794 -12.124 5.650 254 2HB GLU 36 2HB GLU 36 8.826 -13.675 4.823 255 1HG GLU 36 1HG GLU 36 10.941 -12.889 3.695 256 2HG GLU 36 2HG GLU 36 10.936 -11.540 4.829 257 H LYS 37 H LYS 37 7.894 -14.198 2.386 258 HA LYS 37 HA LYS 37 10.032 -14.788 0.847 259 1HB LYS 37 1HB LYS 37 8.579 -16.016 -0.628 260 2HB LYS 37 2HB LYS 37 7.945 -16.139 1.009 261 1HG LYS 37 1HG LYS 37 6.391 -14.237 0.407 262 2HG LYS 37 2HG LYS 37 6.898 -14.481 -1.266 263 1HD LYS 37 1HD LYS 37 5.904 -16.786 0.366 264 2HD LYS 37 2HD LYS 37 4.763 -15.673 -0.393 265 1HE LYS 37 1HE LYS 37 6.980 -16.962 -1.953 266 2HE LYS 37 2HE LYS 37 5.442 -17.783 -1.689 267 1HZ LYS 37 1HZ LYS 37 5.935 -16.142 -3.740 268 2HZ LYS 37 2HZ LYS 37 5.231 -15.060 -2.647 269 3HZ LYS 37 3HZ LYS 37 4.388 -16.445 -3.126 270 H ARG 38 H ARG 38 7.392 -12.612 -0.127 271 HA ARG 38 HA ARG 38 8.635 -11.926 -2.612 272 1HB ARG 38 1HB ARG 38 6.106 -11.807 -1.830 273 2HB ARG 38 2HB ARG 38 6.568 -10.176 -1.361 274 1HG ARG 38 1HG ARG 38 7.058 -9.559 -3.568 275 2HG ARG 38 2HG ARG 38 7.086 -11.236 -4.117 276 1HD ARG 38 1HD ARG 38 4.585 -11.164 -3.232 277 2HD ARG 38 2HD ARG 38 4.781 -9.445 -3.572 278 HE ARG 38 HE ARG 38 4.594 -9.942 -5.784 279 1HH1 ARG 38 2HH1 ARG 38 5.665 -12.799 -4.107 280 2HH1 ARG 38 1HH1 ARG 38 5.622 -13.802 -5.518 281 1HH2 ARG 38 2HH2 ARG 38 4.533 -11.253 -7.650 282 2HH2 ARG 38 1HH2 ARG 38 4.979 -12.922 -7.533 283 H LEU 39 H LEU 39 8.271 -10.321 0.530 284 HA LEU 39 HA LEU 39 9.323 -7.855 0.034 285 1HB LEU 39 1HB LEU 39 9.633 -9.670 2.403 286 2HB LEU 39 2HB LEU 39 10.325 -8.049 2.386 287 HG LEU 39 HG LEU 39 8.167 -8.172 3.575 288 1HD1 LEU 39 1HD1 LEU 39 9.050 -6.248 1.854 289 2HD1 LEU 39 2HD1 LEU 39 7.683 -6.079 2.955 290 3HD1 LEU 39 3HD1 LEU 39 7.409 -6.537 1.274 291 1HD2 LEU 39 1HD2 LEU 39 7.065 -8.870 0.855 292 2HD2 LEU 39 2HD2 LEU 39 6.106 -8.474 2.281 293 3HD2 LEU 39 3HD2 LEU 39 7.107 -9.926 2.266 294 H LYS 40 H LYS 40 11.065 -10.890 0.353 295 HA LYS 40 HA LYS 40 13.663 -10.059 0.628 296 1HB LYS 40 1HB LYS 40 12.371 -12.372 -0.729 297 2HB LYS 40 2HB LYS 40 14.076 -12.089 -1.055 298 1HG LYS 40 1HG LYS 40 14.330 -12.004 1.505 299 2HG LYS 40 2HG LYS 40 12.743 -12.778 1.533 300 1HD LYS 40 1HD LYS 40 14.369 -14.513 1.626 301 2HD LYS 40 2HD LYS 40 13.686 -14.533 -0.002 302 1HE LYS 40 1HE LYS 40 15.604 -13.451 -0.903 303 2HE LYS 40 2HE LYS 40 16.235 -13.092 0.703 304 1HZ LYS 40 1HZ LYS 40 16.380 -15.554 1.036 305 2HZ LYS 40 2HZ LYS 40 17.442 -14.928 -0.122 306 3HZ LYS 40 3HZ LYS 40 16.041 -15.742 -0.611 307 H GLY 41 H GLY 41 11.753 -10.205 -2.355 308 1HA GLY 41 1HA GLY 41 13.896 -9.352 -4.042 309 2HA GLY 41 2HA GLY 41 12.193 -9.416 -4.475 310 H LEU 42 H LEU 42 10.861 -7.664 -3.227 311 HA LEU 42 HA LEU 42 11.418 -5.200 -4.230 312 1HB LEU 42 1HB LEU 42 9.980 -5.937 -1.695 313 2HB LEU 42 2HB LEU 42 10.028 -4.289 -2.318 314 HG LEU 42 HG LEU 42 8.978 -6.554 -3.985 315 1HD1 LEU 42 1HD1 LEU 42 7.267 -4.826 -2.220 316 2HD1 LEU 42 2HD1 LEU 42 7.823 -6.427 -1.736 317 3HD1 LEU 42 3HD1 LEU 42 6.796 -6.244 -3.157 318 1HD2 LEU 42 1HD2 LEU 42 9.115 -4.779 -5.391 319 2HD2 LEU 42 2HD2 LEU 42 9.018 -3.595 -4.088 320 3HD2 LEU 42 3HD2 LEU 42 7.556 -4.400 -4.660 321 H SER 43 H SER 43 12.508 -6.503 -1.133 322 HA SER 43 HA SER 43 13.563 -4.347 0.128 323 1HB SER 43 1HB SER 43 13.703 -6.591 1.068 324 2HB SER 43 2HB SER 43 14.867 -7.064 -0.169 325 HG SER 43 HG SER 43 16.247 -5.389 0.702 326 H LYS 44 H LYS 44 15.078 -6.134 -2.532 327 HA LYS 44 HA LYS 44 17.346 -4.341 -2.601 328 1HB LYS 44 1HB LYS 44 17.787 -6.633 -3.133 329 2HB LYS 44 2HB LYS 44 16.504 -6.663 -4.336 330 1HG LYS 44 1HG LYS 44 17.807 -4.988 -5.652 331 2HG LYS 44 2HG LYS 44 19.127 -5.200 -4.499 332 1HD LYS 44 1HD LYS 44 19.003 -7.678 -5.033 333 2HD LYS 44 2HD LYS 44 17.954 -7.235 -6.382 334 1HE LYS 44 1HE LYS 44 20.634 -5.943 -6.010 335 2HE LYS 44 2HE LYS 44 20.482 -7.504 -6.814 336 1HZ LYS 44 1HZ LYS 44 19.706 -6.546 -8.650 337 2HZ LYS 44 2HZ LYS 44 20.235 -5.075 -8.004 338 3HZ LYS 44 3HZ LYS 44 18.626 -5.557 -7.803 339 H GLN 45 H GLN 45 14.560 -5.077 -4.677 340 HA GLN 45 HA GLN 45 15.037 -3.443 -6.816 341 1HB GLN 45 1HB GLN 45 13.065 -4.957 -6.509 342 2HB GLN 45 2HB GLN 45 12.346 -3.731 -5.474 343 1HG GLN 45 1HG GLN 45 12.794 -2.204 -7.584 344 2HG GLN 45 2HG GLN 45 12.714 -3.757 -8.414 345 1HE2 GLN 45 1HE2 GLN 45 10.963 -1.283 -6.827 346 2HE2 GLN 45 2HE2 GLN 45 9.384 -1.951 -7.039 347 H LEU 46 H LEU 46 13.270 -2.471 -3.873 348 HA LEU 46 HA LEU 46 13.700 0.334 -4.602 349 1HB LEU 46 1HB LEU 46 11.945 -0.857 -2.460 350 2HB LEU 46 2HB LEU 46 12.022 0.845 -2.908 351 HG LEU 46 HG LEU 46 11.234 -1.198 -4.946 352 1HD1 LEU 46 1HD1 LEU 46 9.912 -1.300 -2.668 353 2HD1 LEU 46 2HD1 LEU 46 9.079 -1.385 -4.220 354 3HD1 LEU 46 3HD1 LEU 46 9.128 0.135 -3.328 355 1HD2 LEU 46 1HD2 LEU 46 9.807 1.304 -4.902 356 2HD2 LEU 46 2HD2 LEU 46 10.794 0.595 -6.181 357 3HD2 LEU 46 3HD2 LEU 46 11.550 1.574 -4.923 358 H ASP 47 H ASP 47 15.727 -1.545 -3.418 359 HA ASP 47 HA ASP 47 17.208 -1.669 -1.655 360 1HB ASP 47 1HB ASP 47 17.989 0.212 -3.086 361 2HB ASP 47 2HB ASP 47 17.101 1.328 -2.052 362 H TRP 48 H TRP 48 14.660 -1.856 -0.624 363 HA TRP 48 HA TRP 48 14.759 -0.154 1.777 364 1HB TRP 48 1HB TRP 48 12.514 -1.285 0.184 365 2HB TRP 48 2HB TRP 48 12.288 -1.165 1.926 366 HD1 TRP 48 HD TRP 48 14.382 1.570 0.401 367 HE1 TRP 48 1HE TRP 48 13.031 3.760 0.353 368 HE3 TRP 48 3HE TRP 48 9.784 -0.286 1.645 369 HZ2 TRP 48 2HZ TRP 48 10.368 4.591 0.786 370 HZ3 TRP 48 3HZ TRP 48 7.887 1.273 1.807 371 HH2 TRP 48 HH TRP 48 8.175 3.660 1.387 372 H SER 49 H SER 49 13.398 -1.427 3.611 373 HA SER 49 HA SER 49 14.810 -3.990 3.934 374 1HB SER 49 1HB SER 49 13.827 -2.007 5.995 375 2HB SER 49 2HB SER 49 14.463 -3.602 6.397 376 HG SER 49 HG SER 49 15.787 -1.345 5.413 377 H VAL 50 H VAL 50 13.714 -5.803 4.626 378 HA VAL 50 HA VAL 50 11.153 -6.266 3.773 379 HB VAL 50 HB VAL 50 12.621 -8.093 4.374 380 1HG1 VAL 50 1HG1 VAL 50 13.878 -7.550 6.198 381 2HG1 VAL 50 2HG1 VAL 50 12.522 -6.809 7.052 382 3HG1 VAL 50 3HG1 VAL 50 12.665 -8.566 6.977 383 1HG2 VAL 50 1HG2 VAL 50 10.037 -7.967 5.907 384 2HG2 VAL 50 2HG2 VAL 50 10.344 -8.721 4.343 385 3HG2 VAL 50 3HG2 VAL 50 11.015 -9.431 5.811 386 H ARG 51 H ARG 51 12.193 -4.868 6.803 387 HA ARG 51 HA ARG 51 9.586 -5.030 8.024 388 1HB ARG 51 1HB ARG 51 12.116 -3.588 8.830 389 2HB ARG 51 2HB ARG 51 10.642 -3.594 9.790 390 1HG ARG 51 1HG ARG 51 10.786 -6.029 9.990 391 2HG ARG 51 2HG ARG 51 12.274 -6.011 9.041 392 1HD ARG 51 1HD ARG 51 12.813 -6.141 11.391 393 2HD ARG 51 2HD ARG 51 13.314 -4.575 10.755 394 HE ARG 51 HE ARG 51 10.760 -4.253 11.788 395 1HH1 ARG 51 2HH1 ARG 51 13.933 -5.093 12.946 396 2HH1 ARG 51 1HH1 ARG 51 13.672 -4.438 14.529 397 1HH2 ARG 51 2HH2 ARG 51 10.403 -3.387 13.869 398 2HH2 ARG 51 1HH2 ARG 51 11.663 -3.469 15.053 399 H LYS 52 H LYS 52 11.605 -2.481 6.605 400 HA LYS 52 HA LYS 52 9.898 -0.321 7.079 401 1HB LYS 52 1HB LYS 52 12.314 -0.329 6.197 402 2HB LYS 52 2HB LYS 52 11.600 -0.571 4.608 403 1HG LYS 52 1HG LYS 52 10.301 1.513 4.927 404 2HG LYS 52 2HG LYS 52 11.155 1.768 6.450 405 1HD LYS 52 1HD LYS 52 13.253 1.961 5.320 406 2HD LYS 52 2HD LYS 52 12.536 1.455 3.789 407 1HE LYS 52 1HE LYS 52 11.056 3.500 3.961 408 2HE LYS 52 2HE LYS 52 12.086 4.025 5.292 409 1HZ LYS 52 1HZ LYS 52 12.747 4.990 3.158 410 2HZ LYS 52 2HZ LYS 52 13.032 3.443 2.537 411 3HZ LYS 52 3HZ LYS 52 13.974 4.028 3.814 412 H ILE 53 H ILE 53 10.141 -2.429 4.224 413 HA ILE 53 HA ILE 53 8.159 -1.227 2.682 414 HB ILE 53 HB ILE 53 8.906 -4.152 2.781 415 1HG1 ILE 53 1HG1 ILE 53 9.825 -2.139 0.745 416 2HG1 ILE 53 2HG1 ILE 53 10.687 -2.339 2.267 417 1HG2 ILE 53 1HG2 ILE 53 6.719 -3.085 1.557 418 2HG2 ILE 53 2HG2 ILE 53 7.921 -3.016 0.269 419 3HG2 ILE 53 3HG2 ILE 53 7.547 -4.555 1.044 420 1HD1 ILE 53 1HD1 ILE 53 11.638 -3.619 0.366 421 2HD1 ILE 53 2HD1 ILE 53 11.193 -4.613 1.754 422 3HD1 ILE 53 3HD1 ILE 53 10.156 -4.574 0.328 423 H GLN 54 H GLN 54 7.854 -4.046 4.845 424 HA GLN 54 HA GLN 54 5.253 -4.698 4.623 425 1HB GLN 54 1HB GLN 54 6.957 -4.461 7.088 426 2HB GLN 54 2HB GLN 54 5.299 -5.040 7.183 427 1HG GLN 54 1HG GLN 54 7.147 -6.305 5.228 428 2HG GLN 54 2HG GLN 54 7.310 -6.700 6.938 429 1HE2 GLN 54 1HE2 GLN 54 6.758 -8.801 5.631 430 2HE2 GLN 54 2HE2 GLN 54 5.089 -9.244 5.673 431 H CYS 55 H CYS 55 6.488 -1.935 6.468 432 HA CYS 55 HA CYS 55 4.077 -1.067 7.567 433 1HB CYS 55 1HB CYS 55 6.513 -0.243 7.964 434 2HB CYS 55 2HB CYS 55 6.175 0.873 6.647 435 HG CYS 55 HG CYS 55 3.657 1.483 8.300 436 H TRP 56 H TRP 56 5.557 -0.335 4.439 437 HA TRP 56 HA TRP 56 3.757 1.620 3.580 438 1HB TRP 56 1HB TRP 56 5.907 1.056 2.454 439 2HB TRP 56 2HB TRP 56 5.168 -0.428 1.857 440 HD1 TRP 56 HD TRP 56 5.504 3.227 1.086 441 HE1 TRP 56 1HE TRP 56 4.190 3.787 -1.055 442 HE3 TRP 56 3HE TRP 56 2.913 -1.148 0.556 443 HZ2 TRP 56 2HZ TRP 56 2.304 2.540 -2.745 444 HZ3 TRP 56 3HZ TRP 56 1.374 -1.384 -1.349 445 HH2 TRP 56 HH TRP 56 1.077 0.423 -2.964 446 H PHE 57 H PHE 57 3.702 -1.896 3.016 447 HA PHE 57 HA PHE 57 1.374 -2.027 1.512 448 1HB PHE 57 1HB PHE 57 2.846 -3.932 3.265 449 2HB PHE 57 2HB PHE 57 1.209 -4.367 2.783 450 HD1 PHE 57 1HD PHE 57 4.650 -4.015 1.733 451 HD2 PHE 57 2HD PHE 57 0.661 -4.641 0.388 452 HE1 PHE 57 1HE PHE 57 5.509 -4.826 -0.425 453 HE2 PHE 57 2HE PHE 57 1.513 -5.454 -1.772 454 HZ PHE 57 HZ PHE 57 3.940 -5.549 -2.181 455 H ARG 58 H ARG 58 1.738 -2.317 5.041 456 HA ARG 58 HA ARG 58 -0.938 -2.693 5.689 457 1HB ARG 58 1HB ARG 58 1.354 -1.443 7.182 458 2HB ARG 58 2HB ARG 58 -0.251 -1.538 7.894 459 1HG ARG 58 1HG ARG 58 -0.101 -4.052 7.331 460 2HG ARG 58 2HG ARG 58 1.631 -3.748 7.184 461 1HD ARG 58 1HD ARG 58 1.491 -2.689 9.486 462 2HD ARG 58 2HD ARG 58 -0.126 -3.383 9.598 463 HE ARG 58 HE ARG 58 1.869 -5.316 8.902 464 1HH1 ARG 58 2HH1 ARG 58 0.380 -3.603 11.543 465 2HH1 ARG 58 1HH1 ARG 58 0.762 -4.818 12.717 466 1HH2 ARG 58 2HH2 ARG 58 2.377 -6.922 10.440 467 2HH2 ARG 58 1HH2 ARG 58 1.898 -6.705 12.089 468 H HIS 59 H HIS 59 0.882 0.334 5.339 469 HA HIS 59 HA HIS 59 -1.218 2.069 6.044 470 1HB HIS 59 1HB HIS 59 1.355 2.497 5.675 471 2HB HIS 59 2HB HIS 59 0.843 2.893 4.038 472 HD1 HIS 59 1HD HIS 59 0.445 5.304 3.744 473 HD2 HIS 59 2HD HIS 59 -0.397 4.075 7.623 474 HE1 HIS 59 1HE HIS 59 -0.265 7.383 4.969 475 HE2 HIS 59 2HE HIS 59 -0.687 6.630 7.335 476 H ARG 60 H ARG 60 -0.057 1.023 2.845 477 HA ARG 60 HA ARG 60 -1.639 2.394 1.145 478 1HB ARG 60 1HB ARG 60 -0.061 0.736 0.353 479 2HB ARG 60 2HB ARG 60 -1.028 -0.563 1.039 480 1HG ARG 60 1HG ARG 60 -1.374 -0.488 -1.331 481 2HG ARG 60 2HG ARG 60 -2.854 0.025 -0.519 482 1HD ARG 60 1HD ARG 60 -2.135 2.390 -0.871 483 2HD ARG 60 2HD ARG 60 -0.792 1.782 -1.839 484 HE ARG 60 HE ARG 60 -3.045 0.669 -2.942 485 1HH1 ARG 60 2HH1 ARG 60 -1.889 3.892 -2.316 486 2HH1 ARG 60 1HH1 ARG 60 -2.722 4.593 -3.663 487 1HH2 ARG 60 2HH2 ARG 60 -4.147 1.580 -4.719 488 2HH2 ARG 60 1HH2 ARG 60 -4.007 3.277 -5.029 489 H ARG 61 H ARG 61 -2.649 -0.722 2.567 490 HA ARG 61 HA ARG 61 -5.186 -0.939 1.667 491 1HB ARG 61 1HB ARG 61 -4.233 -1.456 4.488 492 2HB ARG 61 2HB ARG 61 -5.761 -2.031 3.835 493 1HG ARG 61 1HG ARG 61 -4.567 -3.350 2.171 494 2HG ARG 61 2HG ARG 61 -3.028 -2.758 2.801 495 1HD ARG 61 1HD ARG 61 -5.055 -4.319 4.397 496 2HD ARG 61 2HD ARG 61 -3.634 -5.019 3.623 497 HE ARG 61 HE ARG 61 -2.305 -4.096 5.269 498 1HH1 ARG 61 2HH1 ARG 61 -5.557 -2.878 5.523 499 2HH1 ARG 61 1HH1 ARG 61 -5.304 -2.157 7.079 500 1HH2 ARG 61 2HH2 ARG 61 -1.961 -3.152 7.317 501 2HH2 ARG 61 1HH2 ARG 61 -3.258 -2.313 8.097 502 H ASN 62 H ASN 62 -4.291 0.876 4.604 503 HA ASN 62 HA ASN 62 -6.806 1.870 5.227 504 1HB ASN 62 1HB ASN 62 -4.052 3.018 5.681 505 2HB ASN 62 2HB ASN 62 -5.509 3.772 6.320 506 1HD2 ASN 62 1HD2 ASN 62 -3.054 2.149 7.354 507 2HD2 ASN 62 2HD2 ASN 62 -3.773 1.096 8.521 508 H GLN 63 H GLN 63 -4.308 3.271 3.132 509 HA GLN 63 HA GLN 63 -5.680 5.646 2.514 510 1HB GLN 63 1HB GLN 63 -3.256 5.233 2.100 511 2HB GLN 63 2HB GLN 63 -3.701 4.170 0.772 512 1HG GLN 63 1HG GLN 63 -3.251 6.125 -0.332 513 2HG GLN 63 2HG GLN 63 -4.995 6.243 -0.105 514 1HE2 GLN 63 1HE2 GLN 63 -2.012 7.719 0.392 515 2HE2 GLN 63 2HE2 GLN 63 -2.536 9.010 1.414 516 H ASP 64 H ASP 64 -5.705 2.451 1.023 517 HA ASP 64 HA ASP 64 -7.174 3.102 -1.279 518 1HB ASP 64 1HB ASP 64 -6.667 0.583 0.251 519 2HB ASP 64 2HB ASP 64 -7.898 0.580 -1.010 520 H LYS 65 H LYS 65 -8.203 2.145 1.963 521 HA LYS 65 HA LYS 65 -10.994 2.119 1.280 522 1HB LYS 65 1HB LYS 65 -9.492 1.963 3.889 523 2HB LYS 65 2HB LYS 65 -11.249 2.013 3.823 524 1HG LYS 65 1HG LYS 65 -11.337 -0.047 2.626 525 2HG LYS 65 2HG LYS 65 -9.585 -0.057 2.410 526 1HD LYS 65 1HD LYS 65 -9.628 0.057 5.056 527 2HD LYS 65 2HD LYS 65 -11.214 -0.682 4.819 528 1HE LYS 65 1HE LYS 65 -10.336 -2.618 3.982 529 2HE LYS 65 2HE LYS 65 -8.912 -1.816 3.322 530 1HZ LYS 65 1HZ LYS 65 -7.766 -2.225 5.167 531 2HZ LYS 65 2HZ LYS 65 -9.003 -3.290 5.609 532 3HZ LYS 65 3HZ LYS 65 -9.014 -1.697 6.180 533 HA PRO 66 HA PRO 66 -11.857 6.411 1.729 534 1HB PRO 66 1HB PRO 66 -14.501 6.262 2.327 535 2HB PRO 66 2HB PRO 66 -13.865 5.962 0.706 536 1HG PRO 66 1HG PRO 66 -14.654 4.000 2.824 537 2HG PRO 66 2HG PRO 66 -14.980 3.956 1.082 538 1HD PRO 66 1HD PRO 66 -13.001 2.508 2.230 539 2HD PRO 66 2HD PRO 66 -12.878 3.154 0.581 540 H SER 67 H SER 67 -12.681 4.153 4.285 541 HA SER 67 HA SER 67 -13.259 6.154 6.246 542 1HB SER 67 1HB SER 67 -13.196 4.264 7.850 543 2HB SER 67 2HB SER 67 -14.214 3.917 6.452 544 HG SER 67 HG SER 67 -12.066 2.583 7.337 545 H GLY 68 H GLY 68 -11.884 7.297 7.442 546 1HA GLY 68 1HA GLY 68 -9.445 6.316 8.471 547 2HA GLY 68 2HA GLY 68 -9.121 7.280 7.039 548 HA PRO 69 HA PRO 69 -11.067 10.151 10.453 549 1HB PRO 69 1HB PRO 69 -10.799 9.217 12.988 550 2HB PRO 69 2HB PRO 69 -12.227 8.903 11.994 551 1HG PRO 69 1HG PRO 69 -9.870 7.138 12.534 552 2HG PRO 69 2HG PRO 69 -11.593 6.722 12.493 553 1HD PRO 69 1HD PRO 69 -9.923 6.215 10.424 554 2HD PRO 69 2HD PRO 69 -11.639 6.605 10.192 555 H SER 70 H SER 70 -9.385 11.527 10.093 556 HA SER 70 HA SER 70 -7.261 12.416 10.209 557 1HB SER 70 1HB SER 70 -6.781 13.253 12.392 558 2HB SER 70 2HB SER 70 -8.538 13.174 12.268 559 HG SER 70 HG SER 70 -8.456 11.207 13.422 560 H SER 71 H SER 71 -7.090 9.686 9.640 561 HA SER 71 HA SER 71 -4.756 8.849 11.233 562 1HB SER 71 1HB SER 71 -6.878 7.373 11.165 563 2HB SER 71 2HB SER 71 -6.384 6.985 9.517 564 HG SER 71 HG SER 71 -5.077 5.601 10.382 565 H GLY 72 H GLY 72 -6.115 8.693 7.939 566 1HA GLY 72 1HA GLY 72 -3.619 9.500 6.779 567 2HA GLY 72 2HA GLY 72 -3.944 7.790 6.537 Start of MODEL 10 1 1H GLY 1 H GLY 1 2.038 11.062 4.230 2 1HA GLY 1 1HA GLY 1 2.584 10.893 6.731 3 2HA GLY 1 2HA GLY 1 3.936 11.265 5.672 4 H SER 2 H SER 2 3.450 13.899 5.045 5 HA SER 2 HA SER 2 4.439 15.212 7.350 6 1HB SER 2 1HB SER 2 4.416 17.227 6.004 7 2HB SER 2 2HB SER 2 4.966 15.882 5.003 8 HG SER 2 HG SER 2 3.371 17.245 3.991 9 H SER 3 H SER 3 3.456 16.406 8.881 10 HA SER 3 HA SER 3 0.902 16.066 9.684 11 1HB SER 3 1HB SER 3 2.820 18.328 10.041 12 2HB SER 3 2HB SER 3 1.161 18.544 10.598 13 HG SER 3 HG SER 3 1.854 16.195 11.462 14 H GLY 4 H GLY 4 -1.102 16.782 9.196 15 1HA GLY 4 1HA GLY 4 -2.799 17.849 8.072 16 2HA GLY 4 2HA GLY 4 -1.668 19.160 7.771 17 H SER 5 H SER 5 -1.506 19.601 5.687 18 HA SER 5 HA SER 5 -1.335 19.371 3.430 19 1HB SER 5 1HB SER 5 0.545 17.803 4.219 20 2HB SER 5 2HB SER 5 -0.570 16.486 3.856 21 HG SER 5 HG SER 5 0.993 17.378 2.155 22 H SER 6 H SER 6 -3.866 19.064 4.509 23 HA SER 6 HA SER 6 -5.045 16.967 2.806 24 1HB SER 6 1HB SER 6 -6.793 16.675 4.360 25 2HB SER 6 2HB SER 6 -5.350 16.828 5.362 26 HG SER 6 HG SER 6 -6.051 19.224 5.231 27 H GLY 7 H GLY 7 -6.525 17.538 1.309 28 1HA GLY 7 1HA GLY 7 -7.287 20.392 1.216 29 2HA GLY 7 2HA GLY 7 -6.976 19.420 -0.214 30 H GLY 8 H GLY 8 -9.100 20.168 -0.907 31 1HA GLY 8 1HA GLY 8 -11.169 18.320 0.027 32 2HA GLY 8 2HA GLY 8 -11.530 20.039 0.086 33 H ILE 9 H ILE 9 -12.770 17.851 -1.470 34 HA ILE 9 HA ILE 9 -13.669 17.534 -3.536 35 HB ILE 9 HB ILE 9 -12.637 20.304 -4.152 36 1HG1 ILE 9 1HG1 ILE 9 -14.020 20.271 -2.109 37 2HG1 ILE 9 2HG1 ILE 9 -14.825 21.113 -3.429 38 1HG2 ILE 9 1HG2 ILE 9 -14.155 18.354 -5.650 39 2HG2 ILE 9 2HG2 ILE 9 -15.050 19.860 -5.455 40 3HG2 ILE 9 3HG2 ILE 9 -13.443 19.877 -6.182 41 1HD1 ILE 9 1HD1 ILE 9 -16.488 19.817 -2.436 42 2HD1 ILE 9 2HD1 ILE 9 -16.019 18.907 -3.872 43 3HD1 ILE 9 3HD1 ILE 9 -15.430 18.414 -2.285 44 H LYS 10 H LYS 10 -11.324 16.286 -3.262 45 HA LYS 10 HA LYS 10 -9.843 16.846 -5.745 46 1HB LYS 10 1HB LYS 10 -9.000 15.621 -3.132 47 2HB LYS 10 2HB LYS 10 -8.079 15.339 -4.603 48 1HG LYS 10 1HG LYS 10 -8.717 18.089 -3.573 49 2HG LYS 10 2HG LYS 10 -7.257 17.201 -3.130 50 1HD LYS 10 1HD LYS 10 -6.360 17.355 -5.242 51 2HD LYS 10 2HD LYS 10 -7.939 17.506 -6.017 52 1HE LYS 10 1HE LYS 10 -7.053 19.642 -6.215 53 2HE LYS 10 2HE LYS 10 -8.071 19.769 -4.782 54 1HZ LYS 10 1HZ LYS 10 -6.316 20.329 -3.580 55 2HZ LYS 10 2HZ LYS 10 -5.373 20.351 -4.984 56 3HZ LYS 10 3HZ LYS 10 -5.470 18.942 -4.053 57 H ASP 11 H ASP 11 -10.186 15.490 -7.365 58 HA ASP 11 HA ASP 11 -11.626 13.033 -6.970 59 1HB ASP 11 1HB ASP 11 -12.150 14.260 -8.947 60 2HB ASP 11 2HB ASP 11 -10.454 14.365 -9.411 61 H SER 12 H SER 12 -8.355 13.908 -8.041 62 HA SER 12 HA SER 12 -7.564 11.092 -7.716 63 1HB SER 12 1HB SER 12 -5.611 11.666 -9.129 64 2HB SER 12 2HB SER 12 -7.139 11.975 -9.953 65 HG SER 12 HG SER 12 -5.655 13.956 -8.567 66 HA PRO 13 HA PRO 13 -5.168 12.092 -4.169 67 1HB PRO 13 1HB PRO 13 -3.295 10.132 -4.312 68 2HB PRO 13 2HB PRO 13 -4.971 9.827 -3.841 69 1HG PRO 13 1HG PRO 13 -3.647 9.425 -6.495 70 2HG PRO 13 2HG PRO 13 -4.784 8.366 -5.641 71 1HD PRO 13 1HD PRO 13 -5.549 9.991 -7.667 72 2HD PRO 13 2HD PRO 13 -6.620 9.587 -6.311 73 H VAL 14 H VAL 14 -4.094 13.994 -4.401 74 HA VAL 14 HA VAL 14 -2.000 14.389 -6.308 75 HB VAL 14 HB VAL 14 -2.784 16.074 -3.926 76 1HG1 VAL 14 1HG1 VAL 14 -0.877 16.537 -6.197 77 2HG1 VAL 14 2HG1 VAL 14 -1.626 17.876 -5.325 78 3HG1 VAL 14 3HG1 VAL 14 -0.601 16.726 -4.466 79 1HG2 VAL 14 1HG2 VAL 14 -3.643 17.483 -6.008 80 2HG2 VAL 14 2HG2 VAL 14 -3.773 15.874 -6.717 81 3HG2 VAL 14 3HG2 VAL 14 -4.643 16.256 -5.231 82 H ASN 15 H ASN 15 -2.025 14.271 -2.741 83 HA ASN 15 HA ASN 15 0.808 14.238 -2.520 84 1HB ASN 15 1HB ASN 15 -1.173 13.275 -0.450 85 2HB ASN 15 2HB ASN 15 0.460 13.875 -0.174 86 1HD2 ASN 15 1HD2 ASN 15 -2.699 14.654 0.038 87 2HD2 ASN 15 2HD2 ASN 15 -2.589 16.376 -0.044 88 H LYS 16 H LYS 16 2.164 12.516 -1.850 89 HA LYS 16 HA LYS 16 1.103 9.831 -2.442 90 1HB LYS 16 1HB LYS 16 3.107 9.241 -3.570 91 2HB LYS 16 2HB LYS 16 2.618 10.799 -4.223 92 1HG LYS 16 1HG LYS 16 4.513 10.785 -1.940 93 2HG LYS 16 2HG LYS 16 5.113 10.291 -3.525 94 1HD LYS 16 1HD LYS 16 4.434 12.386 -4.493 95 2HD LYS 16 2HD LYS 16 3.637 12.868 -2.994 96 1HE LYS 16 1HE LYS 16 5.807 12.858 -1.851 97 2HE LYS 16 2HE LYS 16 6.595 12.393 -3.358 98 1HZ LYS 16 1HZ LYS 16 6.527 14.477 -4.118 99 2HZ LYS 16 2HZ LYS 16 6.247 14.929 -2.512 100 3HZ LYS 16 3HZ LYS 16 4.946 14.745 -3.577 101 H VAL 17 H VAL 17 1.947 8.101 -1.245 102 HA VAL 17 HA VAL 17 2.779 8.800 1.417 103 HB VAL 17 HB VAL 17 2.714 6.377 1.857 104 1HG1 VAL 17 1HG1 VAL 17 0.641 7.993 1.634 105 2HG1 VAL 17 2HG1 VAL 17 0.229 6.904 0.309 106 3HG1 VAL 17 3HG1 VAL 17 0.431 6.270 1.943 107 1HG2 VAL 17 1HG2 VAL 17 2.207 6.219 -1.105 108 2HG2 VAL 17 2HG2 VAL 17 3.490 5.440 -0.179 109 3HG2 VAL 17 3HG2 VAL 17 1.819 4.909 0.010 110 H GLU 18 H GLU 18 4.200 6.870 -1.220 111 HA GLU 18 HA GLU 18 6.839 7.782 -0.607 112 1HB GLU 18 1HB GLU 18 5.917 5.134 0.381 113 2HB GLU 18 2HB GLU 18 7.525 5.214 -0.323 114 1HG GLU 18 1HG GLU 18 6.470 6.621 2.099 115 2HG GLU 18 2HG GLU 18 7.852 5.536 1.963 116 HA PRO 19 HA PRO 19 7.580 6.654 -4.780 117 1HB PRO 19 1HB PRO 19 10.188 5.900 -4.741 118 2HB PRO 19 2HB PRO 19 9.671 7.581 -4.565 119 1HG PRO 19 1HG PRO 19 10.470 5.615 -2.454 120 2HG PRO 19 2HG PRO 19 10.901 7.329 -2.608 121 1HD PRO 19 1HD PRO 19 8.964 6.458 -0.927 122 2HD PRO 19 2HD PRO 19 8.894 8.041 -1.727 123 H ASN 20 H ASN 20 7.327 4.366 -2.432 124 HA ASN 20 HA ASN 20 8.260 2.087 -3.950 125 1HB ASN 20 1HB ASN 20 7.061 2.510 -1.248 126 2HB ASN 20 2HB ASN 20 6.947 0.908 -1.970 127 1HD2 ASN 20 1HD2 ASN 20 9.485 3.381 -2.010 128 2HD2 ASN 20 2HD2 ASN 20 10.727 2.361 -1.374 129 H ASP 21 H ASP 21 6.070 3.870 -4.955 130 HA ASP 21 HA ASP 21 3.543 2.891 -4.843 131 1HB ASP 21 1HB ASP 21 3.959 4.783 -6.219 132 2HB ASP 21 2HB ASP 21 5.091 3.890 -7.230 133 H THR 22 H THR 22 6.229 1.518 -6.681 134 HA THR 22 HA THR 22 5.177 -0.322 -8.297 135 HB THR 22 HB THR 22 7.442 -0.689 -6.348 136 HG1 THR 22 1HG THR 22 7.568 0.739 -8.253 137 1HG2 THR 22 1HG2 THR 22 8.062 -2.731 -7.512 138 2HG2 THR 22 2HG2 THR 22 6.635 -2.604 -8.540 139 3HG2 THR 22 3HG2 THR 22 6.453 -2.902 -6.812 140 H LEU 23 H LEU 23 5.092 -0.492 -4.787 141 HA LEU 23 HA LEU 23 4.125 -3.138 -4.575 142 1HB LEU 23 1HB LEU 23 4.098 -0.753 -2.767 143 2HB LEU 23 2HB LEU 23 3.241 -2.226 -2.320 144 HG LEU 23 HG LEU 23 5.254 -3.466 -2.182 145 1HD1 LEU 23 1HD1 LEU 23 6.288 -2.494 -4.221 146 2HD1 LEU 23 2HD1 LEU 23 7.404 -2.661 -2.867 147 3HD1 LEU 23 3HD1 LEU 23 6.737 -1.079 -3.269 148 1HD2 LEU 23 1HD2 LEU 23 4.802 -1.167 -0.637 149 2HD2 LEU 23 2HD2 LEU 23 6.536 -1.210 -0.959 150 3HD2 LEU 23 3HD2 LEU 23 5.744 -2.593 -0.202 151 H GLU 24 H GLU 24 2.460 0.002 -4.606 152 HA GLU 24 HA GLU 24 -0.106 -0.590 -4.117 153 1HB GLU 24 1HB GLU 24 0.488 1.632 -4.777 154 2HB GLU 24 2HB GLU 24 0.973 1.092 -6.378 155 1HG GLU 24 1HG GLU 24 -1.508 0.330 -6.570 156 2HG GLU 24 2HG GLU 24 -1.761 1.480 -5.259 157 H LYS 25 H LYS 25 1.640 -1.477 -7.042 158 HA LYS 25 HA LYS 25 -0.649 -2.547 -8.386 159 1HB LYS 25 1HB LYS 25 1.514 -1.701 -9.454 160 2HB LYS 25 2HB LYS 25 2.228 -3.233 -8.967 161 1HG LYS 25 1HG LYS 25 0.496 -4.413 -10.278 162 2HG LYS 25 2HG LYS 25 -0.108 -2.848 -10.828 163 1HD LYS 25 1HD LYS 25 2.168 -2.380 -11.748 164 2HD LYS 25 2HD LYS 25 2.618 -4.037 -11.337 165 1HE LYS 25 1HE LYS 25 2.007 -4.175 -13.580 166 2HE LYS 25 2HE LYS 25 0.563 -4.716 -12.726 167 1HZ LYS 25 1HZ LYS 25 -0.591 -2.877 -13.318 168 2HZ LYS 25 2HZ LYS 25 0.472 -2.913 -14.633 169 3HZ LYS 25 3HZ LYS 25 0.768 -1.869 -13.335 170 H VAL 26 H VAL 26 2.296 -4.219 -7.263 171 HA VAL 26 HA VAL 26 1.487 -6.802 -7.418 172 HB VAL 26 HB VAL 26 3.677 -5.672 -6.400 173 1HG1 VAL 26 1HG1 VAL 26 2.474 -5.007 -4.326 174 2HG1 VAL 26 2HG1 VAL 26 2.275 -6.719 -3.946 175 3HG1 VAL 26 3HG1 VAL 26 3.891 -6.017 -4.036 176 1HG2 VAL 26 1HG2 VAL 26 2.671 -8.304 -6.708 177 2HG2 VAL 26 2HG2 VAL 26 4.351 -7.768 -6.692 178 3HG2 VAL 26 3HG2 VAL 26 3.563 -8.242 -5.188 179 H PHE 27 H PHE 27 0.621 -4.491 -4.905 180 HA PHE 27 HA PHE 27 -0.515 -6.140 -3.014 181 1HB PHE 27 1HB PHE 27 -0.369 -3.849 -2.478 182 2HB PHE 27 2HB PHE 27 -1.237 -3.365 -3.932 183 HD1 PHE 27 1HD PHE 27 -1.498 -4.263 -0.470 184 HD2 PHE 27 2HD PHE 27 -3.696 -3.870 -4.095 185 HE1 PHE 27 1HE PHE 27 -3.597 -4.203 0.813 186 HE2 PHE 27 2HE PHE 27 -5.798 -3.809 -2.817 187 HZ PHE 27 HZ PHE 27 -5.750 -3.974 -0.361 188 H VAL 28 H VAL 28 -2.048 -4.795 -5.922 189 HA VAL 28 HA VAL 28 -4.321 -6.614 -5.502 190 HB VAL 28 HB VAL 28 -5.016 -4.313 -5.697 191 1HG1 VAL 28 1HG1 VAL 28 -3.324 -3.172 -6.793 192 2HG1 VAL 28 2HG1 VAL 28 -3.261 -4.333 -8.120 193 3HG1 VAL 28 3HG1 VAL 28 -4.608 -3.200 -8.001 194 1HG2 VAL 28 1HG2 VAL 28 -5.763 -5.182 -8.404 195 2HG2 VAL 28 2HG2 VAL 28 -6.054 -6.365 -7.129 196 3HG2 VAL 28 3HG2 VAL 28 -6.779 -4.761 -7.025 197 H SER 29 H SER 29 -1.489 -6.749 -6.966 198 HA SER 29 HA SER 29 -2.478 -7.852 -9.501 199 1HB SER 29 1HB SER 29 -0.490 -6.117 -9.220 200 2HB SER 29 2HB SER 29 0.441 -7.584 -8.921 201 HG SER 29 HG SER 29 -0.218 -6.599 -11.242 202 H VAL 30 H VAL 30 -0.281 -8.635 -6.817 203 HA VAL 30 HA VAL 30 -0.523 -11.479 -7.543 204 HB VAL 30 HB VAL 30 1.561 -11.907 -6.513 205 1HG1 VAL 30 1HG1 VAL 30 3.080 -10.177 -7.601 206 2HG1 VAL 30 2HG1 VAL 30 1.944 -11.018 -8.657 207 3HG1 VAL 30 3HG1 VAL 30 1.602 -9.372 -8.125 208 1HG2 VAL 30 1HG2 VAL 30 1.398 -9.112 -5.396 209 2HG2 VAL 30 2HG2 VAL 30 1.322 -10.625 -4.494 210 3HG2 VAL 30 3HG2 VAL 30 2.822 -10.147 -5.289 211 H THR 31 H THR 31 -0.405 -9.270 -4.763 212 HA THR 31 HA THR 31 -2.522 -10.537 -3.404 213 HB THR 31 HB THR 31 -0.812 -12.319 -3.088 214 HG1 THR 31 1HG THR 31 -1.752 -10.886 -0.817 215 1HG2 THR 31 1HG2 THR 31 0.694 -10.957 -1.033 216 2HG2 THR 31 2HG2 THR 31 0.898 -10.168 -2.597 217 3HG2 THR 31 3HG2 THR 31 1.271 -11.882 -2.418 218 H LYS 32 H LYS 32 -3.188 -9.375 -1.618 219 HA LYS 32 HA LYS 32 -2.132 -6.724 -1.384 220 1HB LYS 32 1HB LYS 32 -3.898 -6.478 0.382 221 2HB LYS 32 2HB LYS 32 -4.500 -6.992 -1.188 222 1HG LYS 32 1HG LYS 32 -4.664 -9.279 -0.414 223 2HG LYS 32 2HG LYS 32 -3.970 -8.822 1.144 224 1HD LYS 32 1HD LYS 32 -6.506 -7.614 0.058 225 2HD LYS 32 2HD LYS 32 -6.487 -9.056 1.075 226 1HE LYS 32 1HE LYS 32 -5.208 -7.706 2.771 227 2HE LYS 32 2HE LYS 32 -5.541 -6.285 1.783 228 1HZ LYS 32 1HZ LYS 32 -7.550 -8.044 3.082 229 2HZ LYS 32 2HZ LYS 32 -7.927 -6.767 2.039 230 3HZ LYS 32 3HZ LYS 32 -7.168 -6.454 3.518 231 H TYR 33 H TYR 33 -2.064 -9.645 0.584 232 HA TYR 33 HA TYR 33 -0.231 -8.279 2.444 233 1HB TYR 33 1HB TYR 33 -2.327 -10.368 2.870 234 2HB TYR 33 2HB TYR 33 -0.921 -10.348 3.928 235 HD1 TYR 33 1HD TYR 33 -1.508 -9.463 5.976 236 HD2 TYR 33 2HD TYR 33 -3.020 -7.631 2.446 237 HE1 TYR 33 1HE TYR 33 -2.559 -7.709 7.343 238 HE2 TYR 33 2HE TYR 33 -4.074 -5.871 3.804 239 HH TYR 33 HH TYR 33 -4.780 -5.411 5.993 240 HA PRO 34 HA PRO 34 2.342 -11.357 0.178 241 1HB PRO 34 1HB PRO 34 4.560 -9.793 0.147 242 2HB PRO 34 2HB PRO 34 3.283 -9.672 -1.069 243 1HG PRO 34 1HG PRO 34 3.763 -7.973 1.348 244 2HG PRO 34 2HG PRO 34 3.313 -7.480 -0.295 245 1HD PRO 34 1HD PRO 34 1.512 -7.651 1.719 246 2HD PRO 34 2HD PRO 34 1.088 -7.984 0.028 247 H ASP 35 H ASP 35 4.382 -12.372 0.844 248 HA ASP 35 HA ASP 35 4.815 -12.147 3.751 249 1HB ASP 35 1HB ASP 35 5.383 -14.649 2.186 250 2HB ASP 35 2HB ASP 35 5.102 -14.468 3.915 251 H GLU 36 H GLU 36 7.006 -12.906 4.458 252 HA GLU 36 HA GLU 36 9.035 -11.370 3.608 253 1HB GLU 36 1HB GLU 36 9.147 -12.890 5.557 254 2HB GLU 36 2HB GLU 36 9.372 -14.249 4.465 255 1HG GLU 36 1HG GLU 36 11.397 -12.822 3.610 256 2HG GLU 36 2HG GLU 36 11.259 -12.073 5.200 257 H LYS 37 H LYS 37 8.496 -14.676 2.388 258 HA LYS 37 HA LYS 37 10.449 -15.060 0.614 259 1HB LYS 37 1HB LYS 37 7.504 -15.564 0.332 260 2HB LYS 37 2HB LYS 37 8.602 -15.982 -0.977 261 1HG LYS 37 1HG LYS 37 9.711 -17.586 0.308 262 2HG LYS 37 2HG LYS 37 9.064 -16.949 1.822 263 1HD LYS 37 1HD LYS 37 7.737 -18.802 1.532 264 2HD LYS 37 2HD LYS 37 6.758 -17.570 0.732 265 1HE LYS 37 1HE LYS 37 7.986 -18.265 -1.408 266 2HE LYS 37 2HE LYS 37 8.490 -19.690 -0.501 267 1HZ LYS 37 1HZ LYS 37 6.439 -19.995 -1.841 268 2HZ LYS 37 2HZ LYS 37 5.658 -18.875 -0.843 269 3HZ LYS 37 3HZ LYS 37 6.234 -20.328 -0.195 270 H ARG 38 H ARG 38 7.558 -13.122 -0.161 271 HA ARG 38 HA ARG 38 8.576 -12.256 -2.677 272 1HB ARG 38 1HB ARG 38 6.114 -12.352 -1.750 273 2HB ARG 38 2HB ARG 38 6.478 -10.722 -1.198 274 1HG ARG 38 1HG ARG 38 6.997 -10.053 -3.484 275 2HG ARG 38 2HG ARG 38 6.658 -11.692 -4.043 276 1HD ARG 38 1HD ARG 38 4.574 -10.240 -2.485 277 2HD ARG 38 2HD ARG 38 4.832 -9.803 -4.174 278 HE ARG 38 HE ARG 38 3.970 -11.850 -4.819 279 1HH1 ARG 38 2HH1 ARG 38 4.365 -11.728 -1.362 280 2HH1 ARG 38 1HH1 ARG 38 3.436 -13.162 -1.074 281 1HH2 ARG 38 2HH2 ARG 38 2.745 -13.739 -4.453 282 2HH2 ARG 38 1HH2 ARG 38 2.516 -14.305 -2.833 283 H LEU 39 H LEU 39 8.182 -10.632 0.468 284 HA LEU 39 HA LEU 39 9.112 -8.136 -0.084 285 1HB LEU 39 1HB LEU 39 9.439 -9.896 2.308 286 2HB LEU 39 2HB LEU 39 10.206 -8.310 2.272 287 HG LEU 39 HG LEU 39 8.037 -8.345 3.468 288 1HD1 LEU 39 1HD1 LEU 39 9.022 -6.353 2.177 289 2HD1 LEU 39 2HD1 LEU 39 7.330 -6.280 2.664 290 3HD1 LEU 39 3HD1 LEU 39 7.750 -6.674 0.998 291 1HD2 LEU 39 1HD2 LEU 39 6.994 -9.075 0.740 292 2HD2 LEU 39 2HD2 LEU 39 5.981 -8.427 2.030 293 3HD2 LEU 39 3HD2 LEU 39 6.805 -9.972 2.247 294 H LYS 40 H LYS 40 11.043 -11.050 0.388 295 HA LYS 40 HA LYS 40 13.581 -10.109 0.595 296 1HB LYS 40 1HB LYS 40 12.498 -12.431 -0.983 297 2HB LYS 40 2HB LYS 40 14.225 -12.103 -0.904 298 1HG LYS 40 1HG LYS 40 12.550 -12.428 1.564 299 2HG LYS 40 2HG LYS 40 13.289 -13.799 0.734 300 1HD LYS 40 1HD LYS 40 14.972 -11.442 1.461 301 2HD LYS 40 2HD LYS 40 14.536 -12.613 2.708 302 1HE LYS 40 1HE LYS 40 16.490 -13.536 1.963 303 2HE LYS 40 2HE LYS 40 15.346 -14.339 0.888 304 1HZ LYS 40 1HZ LYS 40 16.148 -11.870 -0.225 305 2HZ LYS 40 2HZ LYS 40 16.339 -13.429 -0.852 306 3HZ LYS 40 3HZ LYS 40 17.519 -12.780 0.171 307 H GLY 41 H GLY 41 11.736 -10.428 -2.427 308 1HA GLY 41 1HA GLY 41 13.794 -9.480 -4.123 309 2HA GLY 41 2HA GLY 41 12.082 -9.535 -4.515 310 H LEU 42 H LEU 42 10.759 -7.785 -3.340 311 HA LEU 42 HA LEU 42 11.338 -5.316 -4.286 312 1HB LEU 42 1HB LEU 42 9.867 -6.101 -1.788 313 2HB LEU 42 2HB LEU 42 9.957 -4.428 -2.337 314 HG LEU 42 HG LEU 42 8.856 -6.625 -4.071 315 1HD1 LEU 42 1HD1 LEU 42 7.206 -4.801 -2.344 316 2HD1 LEU 42 2HD1 LEU 42 7.657 -6.433 -1.852 317 3HD1 LEU 42 3HD1 LEU 42 6.674 -6.188 -3.295 318 1HD2 LEU 42 1HD2 LEU 42 7.659 -4.657 -5.071 319 2HD2 LEU 42 2HD2 LEU 42 9.408 -4.664 -5.295 320 3HD2 LEU 42 3HD2 LEU 42 8.679 -3.619 -4.074 321 H SER 43 H SER 43 12.438 -6.676 -1.222 322 HA SER 43 HA SER 43 13.480 -4.547 0.093 323 1HB SER 43 1HB SER 43 13.689 -6.721 1.064 324 2HB SER 43 2HB SER 43 14.678 -7.297 -0.278 325 HG SER 43 HG SER 43 15.400 -5.319 1.628 326 H LYS 44 H LYS 44 14.956 -6.213 -2.659 327 HA LYS 44 HA LYS 44 17.215 -4.395 -2.681 328 1HB LYS 44 1HB LYS 44 17.140 -6.941 -3.337 329 2HB LYS 44 2HB LYS 44 16.626 -6.316 -4.899 330 1HG LYS 44 1HG LYS 44 19.049 -5.142 -3.644 331 2HG LYS 44 2HG LYS 44 19.161 -6.754 -4.354 332 1HD LYS 44 1HD LYS 44 18.631 -5.977 -6.493 333 2HD LYS 44 2HD LYS 44 17.948 -4.470 -5.875 334 1HE LYS 44 1HE LYS 44 20.837 -5.086 -5.428 335 2HE LYS 44 2HE LYS 44 20.306 -4.485 -6.998 336 1HZ LYS 44 1HZ LYS 44 20.905 -2.605 -5.759 337 2HZ LYS 44 2HZ LYS 44 20.104 -3.141 -4.369 338 3HZ LYS 44 3HZ LYS 44 19.214 -2.628 -5.713 339 H GLN 45 H GLN 45 14.445 -5.154 -4.773 340 HA GLN 45 HA GLN 45 14.859 -3.505 -6.893 341 1HB GLN 45 1HB GLN 45 12.871 -5.007 -6.485 342 2HB GLN 45 2HB GLN 45 12.190 -3.720 -5.498 343 1HG GLN 45 1HG GLN 45 11.731 -2.392 -7.291 344 2HG GLN 45 2HG GLN 45 13.048 -3.054 -8.259 345 1HE2 GLN 45 1HE2 GLN 45 9.852 -2.811 -8.175 346 2HE2 GLN 45 2HE2 GLN 45 9.390 -4.285 -8.950 347 H LEU 46 H LEU 46 13.192 -2.518 -3.897 348 HA LEU 46 HA LEU 46 13.673 0.284 -4.628 349 1HB LEU 46 1HB LEU 46 11.859 -0.856 -2.507 350 2HB LEU 46 2HB LEU 46 11.979 0.839 -2.974 351 HG LEU 46 HG LEU 46 11.186 -1.191 -5.016 352 1HD1 LEU 46 1HD1 LEU 46 9.845 -1.307 -2.747 353 2HD1 LEU 46 2HD1 LEU 46 9.028 -1.387 -4.307 354 3HD1 LEU 46 3HD1 LEU 46 9.065 0.130 -3.409 355 1HD2 LEU 46 1HD2 LEU 46 9.729 1.265 -5.024 356 2HD2 LEU 46 2HD2 LEU 46 10.846 0.632 -6.233 357 3HD2 LEU 46 3HD2 LEU 46 11.454 1.614 -4.899 358 H ASP 47 H ASP 47 15.638 -1.643 -3.435 359 HA ASP 47 HA ASP 47 17.087 -1.821 -1.647 360 1HB ASP 47 1HB ASP 47 17.923 0.056 -3.066 361 2HB ASP 47 2HB ASP 47 17.071 1.181 -2.012 362 H TRP 48 H TRP 48 14.544 -1.972 -0.637 363 HA TRP 48 HA TRP 48 14.627 -0.258 1.756 364 1HB TRP 48 1HB TRP 48 12.396 -1.391 0.146 365 2HB TRP 48 2HB TRP 48 12.153 -1.268 1.887 366 HD1 TRP 48 HD TRP 48 14.236 1.441 0.249 367 HE1 TRP 48 1HE TRP 48 12.900 3.641 0.234 368 HE3 TRP 48 3HE TRP 48 9.694 -0.358 1.756 369 HZ2 TRP 48 2HZ TRP 48 10.269 4.500 0.787 370 HZ3 TRP 48 3HZ TRP 48 7.819 1.219 1.989 371 HH2 TRP 48 HH TRP 48 8.103 3.597 1.514 372 H SER 49 H SER 49 13.209 -1.536 3.567 373 HA SER 49 HA SER 49 14.622 -4.095 3.926 374 1HB SER 49 1HB SER 49 15.168 -2.253 5.546 375 2HB SER 49 2HB SER 49 13.494 -2.315 6.096 376 HG SER 49 HG SER 49 15.237 -4.551 6.099 377 H VAL 50 H VAL 50 13.510 -5.896 4.628 378 HA VAL 50 HA VAL 50 10.955 -6.354 3.755 379 HB VAL 50 HB VAL 50 12.483 -8.149 4.436 380 1HG1 VAL 50 1HG1 VAL 50 11.838 -7.243 7.240 381 2HG1 VAL 50 2HG1 VAL 50 12.683 -8.737 6.828 382 3HG1 VAL 50 3HG1 VAL 50 13.410 -7.176 6.444 383 1HG2 VAL 50 1HG2 VAL 50 10.009 -8.496 4.263 384 2HG2 VAL 50 2HG2 VAL 50 10.840 -9.644 5.313 385 3HG2 VAL 50 3HG2 VAL 50 9.921 -8.312 6.014 386 H ARG 51 H ARG 51 11.974 -4.951 6.793 387 HA ARG 51 HA ARG 51 9.352 -5.078 7.982 388 1HB ARG 51 1HB ARG 51 10.340 -3.811 9.815 389 2HB ARG 51 2HB ARG 51 11.379 -5.159 9.370 390 1HG ARG 51 1HG ARG 51 12.820 -3.634 8.116 391 2HG ARG 51 2HG ARG 51 11.779 -2.284 8.571 392 1HD ARG 51 1HD ARG 51 13.215 -4.063 10.535 393 2HD ARG 51 2HD ARG 51 13.832 -2.512 9.967 394 HE ARG 51 HE ARG 51 12.277 -1.431 11.286 395 1HH1 ARG 51 2HH1 ARG 51 11.636 -4.852 11.230 396 2HH1 ARG 51 1HH1 ARG 51 10.488 -4.791 12.527 397 1HH2 ARG 51 2HH2 ARG 51 10.769 -1.338 12.995 398 2HH2 ARG 51 1HH2 ARG 51 9.995 -2.791 13.530 399 H LYS 52 H LYS 52 11.408 -2.547 6.580 400 HA LYS 52 HA LYS 52 9.709 -0.375 7.014 401 1HB LYS 52 1HB LYS 52 12.103 -0.299 6.224 402 2HB LYS 52 2HB LYS 52 11.519 -0.735 4.623 403 1HG LYS 52 1HG LYS 52 10.251 1.296 4.470 404 2HG LYS 52 2HG LYS 52 10.638 1.711 6.142 405 1HD LYS 52 1HD LYS 52 13.048 1.762 5.494 406 2HD LYS 52 2HD LYS 52 12.551 1.533 3.816 407 1HE LYS 52 1HE LYS 52 12.861 3.856 4.082 408 2HE LYS 52 2HE LYS 52 11.117 3.601 4.103 409 1HZ LYS 52 1HZ LYS 52 11.245 4.862 5.939 410 2HZ LYS 52 2HZ LYS 52 12.878 4.520 6.214 411 3HZ LYS 52 3HZ LYS 52 11.690 3.418 6.699 412 H ILE 53 H ILE 53 10.020 -2.422 4.113 413 HA ILE 53 HA ILE 53 8.075 -1.251 2.543 414 HB ILE 53 HB ILE 53 8.714 -4.198 2.721 415 1HG1 ILE 53 1HG1 ILE 53 9.785 -2.280 0.671 416 2HG1 ILE 53 2HG1 ILE 53 10.578 -2.449 2.234 417 1HG2 ILE 53 1HG2 ILE 53 7.611 -4.532 0.726 418 2HG2 ILE 53 2HG2 ILE 53 6.569 -3.348 1.513 419 3HG2 ILE 53 3HG2 ILE 53 7.705 -2.832 0.267 420 1HD1 ILE 53 1HD1 ILE 53 10.261 -4.485 0.063 421 2HD1 ILE 53 2HD1 ILE 53 11.737 -3.892 0.826 422 3HD1 ILE 53 3HD1 ILE 53 10.645 -4.949 1.721 423 H GLN 54 H GLN 54 7.623 -4.075 4.679 424 HA GLN 54 HA GLN 54 5.005 -4.605 4.431 425 1HB GLN 54 1HB GLN 54 6.672 -4.449 6.930 426 2HB GLN 54 2HB GLN 54 4.996 -4.980 6.981 427 1HG GLN 54 1HG GLN 54 6.862 -6.277 5.060 428 2HG GLN 54 2HG GLN 54 6.954 -6.700 6.769 429 1HE2 GLN 54 1HE2 GLN 54 6.029 -8.615 6.972 430 2HE2 GLN 54 2HE2 GLN 54 4.482 -9.062 6.346 431 H CYS 55 H CYS 55 6.279 -2.020 6.522 432 HA CYS 55 HA CYS 55 3.918 -1.033 7.531 433 1HB CYS 55 1HB CYS 55 6.322 -0.293 8.025 434 2HB CYS 55 2HB CYS 55 6.156 0.776 6.638 435 HG CYS 55 HG CYS 55 5.172 2.701 8.004 436 H TRP 56 H TRP 56 5.462 -0.239 4.441 437 HA TRP 56 HA TRP 56 3.743 1.768 3.591 438 1HB TRP 56 1HB TRP 56 5.848 1.120 2.444 439 2HB TRP 56 2HB TRP 56 5.053 -0.338 1.858 440 HD1 TRP 56 HD TRP 56 5.490 3.313 1.089 441 HE1 TRP 56 1HE TRP 56 4.197 3.906 -1.056 442 HE3 TRP 56 3HE TRP 56 2.805 -1.003 0.542 443 HZ2 TRP 56 2HZ TRP 56 2.290 2.703 -2.755 444 HZ3 TRP 56 3HZ TRP 56 1.268 -1.201 -1.370 445 HH2 TRP 56 HH TRP 56 1.017 0.614 -2.983 446 H PHE 57 H PHE 57 3.516 -1.728 2.934 447 HA PHE 57 HA PHE 57 1.187 -1.741 1.456 448 1HB PHE 57 1HB PHE 57 2.479 -3.724 3.281 449 2HB PHE 57 2HB PHE 57 0.863 -4.063 2.670 450 HD1 PHE 57 1HD PHE 57 4.393 -3.809 1.858 451 HD2 PHE 57 2HD PHE 57 0.484 -4.378 0.271 452 HE1 PHE 57 1HE PHE 57 5.370 -4.652 -0.237 453 HE2 PHE 57 2HE PHE 57 1.455 -5.223 -1.826 454 HZ PHE 57 HZ PHE 57 3.900 -5.362 -2.082 455 H ARG 58 H ARG 58 1.434 -2.251 4.979 456 HA ARG 58 HA ARG 58 -1.197 -2.442 5.650 457 1HB ARG 58 1HB ARG 58 1.032 -1.022 7.105 458 2HB ARG 58 2HB ARG 58 -0.557 -1.279 7.813 459 1HG ARG 58 1HG ARG 58 -0.282 -3.615 7.842 460 2HG ARG 58 2HG ARG 58 1.114 -3.541 6.765 461 1HD ARG 58 1HD ARG 58 2.531 -2.825 8.430 462 2HD ARG 58 2HD ARG 58 1.226 -2.118 9.381 463 HE ARG 58 HE ARG 58 2.189 -4.821 9.500 464 1HH1 ARG 58 2HH1 ARG 58 -0.539 -2.733 10.065 465 2HH1 ARG 58 1HH1 ARG 58 -1.263 -3.780 11.241 466 1HH2 ARG 58 2HH2 ARG 58 1.247 -6.207 11.047 467 2HH2 ARG 58 1HH2 ARG 58 -0.245 -5.755 11.800 468 H HIS 59 H HIS 59 0.613 0.628 5.484 469 HA HIS 59 HA HIS 59 -1.424 2.388 6.027 470 1HB HIS 59 1HB HIS 59 1.081 2.829 5.535 471 2HB HIS 59 2HB HIS 59 0.570 2.985 3.857 472 HD1 HIS 59 1HD HIS 59 1.613 5.210 6.088 473 HD2 HIS 59 2HD HIS 59 -2.136 4.782 4.350 474 HE1 HIS 59 1HE HIS 59 0.525 7.470 6.271 475 HE2 HIS 59 2HE HIS 59 -1.775 7.165 5.290 476 H ARG 60 H ARG 60 -0.599 0.934 2.902 477 HA ARG 60 HA ARG 60 -2.322 2.301 1.243 478 1HB ARG 60 1HB ARG 60 -0.614 0.464 0.677 479 2HB ARG 60 2HB ARG 60 -1.915 -0.671 1.007 480 1HG ARG 60 1HG ARG 60 -1.970 -0.372 -1.302 481 2HG ARG 60 2HG ARG 60 -3.272 0.655 -0.698 482 1HD ARG 60 1HD ARG 60 -1.433 2.498 -0.673 483 2HD ARG 60 2HD ARG 60 -0.600 1.424 -1.796 484 HE ARG 60 HE ARG 60 -3.046 1.622 -2.894 485 1HH1 ARG 60 2HH1 ARG 60 -0.799 4.010 -1.725 486 2HH1 ARG 60 1HH1 ARG 60 -1.311 5.229 -2.844 487 1HH2 ARG 60 2HH2 ARG 60 -3.729 3.218 -4.372 488 2HH2 ARG 60 1HH2 ARG 60 -2.978 4.778 -4.349 489 H ARG 61 H ARG 61 -3.031 -0.747 2.958 490 HA ARG 61 HA ARG 61 -5.589 -1.227 2.248 491 1HB ARG 61 1HB ARG 61 -4.131 -1.550 4.825 492 2HB ARG 61 2HB ARG 61 -5.872 -1.799 4.833 493 1HG ARG 61 1HG ARG 61 -4.278 -3.173 2.741 494 2HG ARG 61 2HG ARG 61 -4.181 -3.774 4.397 495 1HD ARG 61 1HD ARG 61 -5.930 -5.004 3.485 496 2HD ARG 61 2HD ARG 61 -6.755 -3.702 4.342 497 HE ARG 61 HE ARG 61 -6.228 -3.149 1.564 498 1HH1 ARG 61 2HH1 ARG 61 -8.452 -4.528 3.859 499 2HH1 ARG 61 1HH1 ARG 61 -9.831 -4.355 2.824 500 1HH2 ARG 61 2HH2 ARG 61 -8.035 -2.916 0.192 501 2HH2 ARG 61 1HH2 ARG 61 -9.592 -3.439 0.738 502 H ASN 62 H ASN 62 -4.553 1.172 4.641 503 HA ASN 62 HA ASN 62 -7.224 2.023 5.235 504 1HB ASN 62 1HB ASN 62 -4.530 3.248 5.856 505 2HB ASN 62 2HB ASN 62 -6.061 3.895 6.438 506 1HD2 ASN 62 1HD2 ASN 62 -3.741 2.791 7.874 507 2HD2 ASN 62 2HD2 ASN 62 -4.371 1.525 8.866 508 H GLN 63 H GLN 63 -4.501 3.499 3.473 509 HA GLN 63 HA GLN 63 -5.660 5.842 2.654 510 1HB GLN 63 1HB GLN 63 -3.294 5.023 2.221 511 2HB GLN 63 2HB GLN 63 -3.944 4.153 0.838 512 1HG GLN 63 1HG GLN 63 -3.017 6.207 0.068 513 2HG GLN 63 2HG GLN 63 -4.772 6.307 -0.064 514 1HE2 GLN 63 1HE2 GLN 63 -1.947 7.626 1.328 515 2HE2 GLN 63 2HE2 GLN 63 -2.703 8.895 2.224 516 H ASP 64 H ASP 64 -6.110 2.623 1.306 517 HA ASP 64 HA ASP 64 -7.464 3.293 -1.038 518 1HB ASP 64 1HB ASP 64 -6.718 1.030 -0.659 519 2HB ASP 64 2HB ASP 64 -7.756 0.878 0.757 520 H LYS 65 H LYS 65 -8.695 2.792 2.244 521 HA LYS 65 HA LYS 65 -11.384 3.540 1.377 522 1HB LYS 65 1HB LYS 65 -11.090 1.582 2.867 523 2HB LYS 65 2HB LYS 65 -10.410 2.641 4.095 524 1HG LYS 65 1HG LYS 65 -13.103 3.285 3.020 525 2HG LYS 65 2HG LYS 65 -12.941 1.926 4.134 526 1HD LYS 65 1HD LYS 65 -11.825 4.655 4.733 527 2HD LYS 65 2HD LYS 65 -13.470 4.184 5.167 528 1HE LYS 65 1HE LYS 65 -12.691 2.472 6.610 529 2HE LYS 65 2HE LYS 65 -11.046 2.603 5.991 530 1HZ LYS 65 1HZ LYS 65 -12.498 4.528 7.711 531 2HZ LYS 65 2HZ LYS 65 -11.067 4.931 6.905 532 3HZ LYS 65 3HZ LYS 65 -11.067 3.694 8.059 533 HA PRO 66 HA PRO 66 -10.643 7.737 2.627 534 1HB PRO 66 1HB PRO 66 -13.193 8.606 2.296 535 2HB PRO 66 2HB PRO 66 -12.091 8.324 0.943 536 1HG PRO 66 1HG PRO 66 -14.261 6.563 2.017 537 2HG PRO 66 2HG PRO 66 -13.848 6.930 0.331 538 1HD PRO 66 1HD PRO 66 -13.093 4.633 1.550 539 2HD PRO 66 2HD PRO 66 -12.110 5.417 0.296 540 H SER 67 H SER 67 -10.616 8.655 4.585 541 HA SER 67 HA SER 67 -11.982 7.412 6.778 542 1HB SER 67 1HB SER 67 -10.847 9.119 8.156 543 2HB SER 67 2HB SER 67 -9.722 8.309 7.066 544 HG SER 67 HG SER 67 -10.509 10.938 7.148 545 H GLY 68 H GLY 68 -14.190 7.722 6.215 546 1HA GLY 68 1HA GLY 68 -15.220 10.276 7.156 547 2HA GLY 68 2HA GLY 68 -15.619 9.858 5.496 548 HA PRO 69 HA PRO 69 -18.358 7.686 8.817 549 1HB PRO 69 1HB PRO 69 -20.291 9.548 9.229 550 2HB PRO 69 2HB PRO 69 -18.841 9.429 10.234 551 1HG PRO 69 1HG PRO 69 -19.423 11.288 7.961 552 2HG PRO 69 2HG PRO 69 -18.663 11.637 9.524 553 1HD PRO 69 1HD PRO 69 -17.230 11.302 7.251 554 2HD PRO 69 2HD PRO 69 -16.610 10.835 8.848 555 H SER 70 H SER 70 -19.014 6.327 7.177 556 HA SER 70 HA SER 70 -21.496 7.037 5.864 557 1HB SER 70 1HB SER 70 -18.930 6.603 4.374 558 2HB SER 70 2HB SER 70 -20.455 6.101 3.646 559 HG SER 70 HG SER 70 -20.157 8.688 4.720 560 H SER 71 H SER 71 -22.232 5.081 4.466 561 HA SER 71 HA SER 71 -21.816 2.690 6.110 562 1HB SER 71 1HB SER 71 -24.133 3.403 5.911 563 2HB SER 71 2HB SER 71 -24.016 3.392 4.151 564 HG SER 71 HG SER 71 -24.588 1.384 4.279 565 H GLY 72 H GLY 72 -20.289 1.372 5.360 566 1HA GLY 72 1HA GLY 72 -19.596 1.280 2.563 567 2HA GLY 72 2HA GLY 72 -18.867 0.334 3.852 Start of MODEL 11 1 1H GLY 1 H GLY 1 7.673 11.027 1.466 2 1HA GLY 1 1HA GLY 1 9.050 13.029 0.979 3 2HA GLY 1 2HA GLY 1 7.689 13.982 1.552 4 H SER 2 H SER 2 10.207 14.346 2.602 5 HA SER 2 HA SER 2 11.067 12.939 4.756 6 1HB SER 2 1HB SER 2 11.868 15.076 5.714 7 2HB SER 2 2HB SER 2 12.186 14.969 3.983 8 HG SER 2 HG SER 2 9.791 16.145 4.809 9 H SER 3 H SER 3 10.782 13.265 7.086 10 HA SER 3 HA SER 3 8.348 12.653 8.062 11 1HB SER 3 1HB SER 3 10.598 12.888 9.309 12 2HB SER 3 2HB SER 3 10.096 14.549 9.619 13 HG SER 3 HG SER 3 9.520 12.880 11.239 14 H GLY 4 H GLY 4 6.513 13.677 8.797 15 1HA GLY 4 1HA GLY 4 5.157 15.533 9.333 16 2HA GLY 4 2HA GLY 4 6.350 16.589 8.591 17 H SER 5 H SER 5 3.303 15.494 8.270 18 HA SER 5 HA SER 5 2.875 14.678 5.700 19 1HB SER 5 1HB SER 5 1.283 16.483 7.502 20 2HB SER 5 2HB SER 5 0.717 16.120 5.871 21 HG SER 5 HG SER 5 0.134 14.694 7.819 22 H SER 6 H SER 6 2.158 15.847 3.778 23 HA SER 6 HA SER 6 4.033 17.762 2.941 24 1HB SER 6 1HB SER 6 1.526 16.614 1.805 25 2HB SER 6 2HB SER 6 2.163 18.086 1.072 26 HG SER 6 HG SER 6 3.952 16.004 1.565 27 H GLY 7 H GLY 7 4.151 19.675 3.973 28 1HA GLY 7 1HA GLY 7 1.912 21.085 4.998 29 2HA GLY 7 2HA GLY 7 3.535 21.730 4.800 30 H GLY 8 H GLY 8 1.482 23.415 4.373 31 1HA GLY 8 1HA GLY 8 1.302 25.073 2.670 32 2HA GLY 8 2HA GLY 8 1.660 23.838 1.472 33 H ILE 9 H ILE 9 0.017 22.587 0.638 34 HA ILE 9 HA ILE 9 -2.679 23.595 1.176 35 HB ILE 9 HB ILE 9 -1.666 21.884 -1.098 36 1HG1 ILE 9 1HG1 ILE 9 -2.674 24.701 -1.336 37 2HG1 ILE 9 2HG1 ILE 9 -1.005 24.399 -0.864 38 1HG2 ILE 9 1HG2 ILE 9 -4.124 21.677 -0.315 39 2HG2 ILE 9 2HG2 ILE 9 -4.314 23.272 -1.041 40 3HG2 ILE 9 3HG2 ILE 9 -3.787 21.911 -2.030 41 1HD1 ILE 9 1HD1 ILE 9 -2.323 23.464 -3.401 42 2HD1 ILE 9 2HD1 ILE 9 -1.176 24.795 -3.245 43 3HD1 ILE 9 3HD1 ILE 9 -0.656 23.140 -2.927 44 H LYS 10 H LYS 10 -3.828 22.501 2.618 45 HA LYS 10 HA LYS 10 -3.284 20.019 3.683 46 1HB LYS 10 1HB LYS 10 -5.923 21.454 3.381 47 2HB LYS 10 2HB LYS 10 -5.730 19.984 4.326 48 1HG LYS 10 1HG LYS 10 -5.506 21.538 5.970 49 2HG LYS 10 2HG LYS 10 -3.817 21.380 5.480 50 1HD LYS 10 1HD LYS 10 -3.780 23.428 4.458 51 2HD LYS 10 2HD LYS 10 -5.504 23.392 4.081 52 1HE LYS 10 1HE LYS 10 -5.255 25.041 5.743 53 2HE LYS 10 2HE LYS 10 -5.906 23.629 6.574 54 1HZ LYS 10 1HZ LYS 10 -3.494 23.097 7.105 55 2HZ LYS 10 2HZ LYS 10 -4.195 24.391 7.937 56 3HZ LYS 10 3HZ LYS 10 -3.147 24.687 6.643 57 H ASP 11 H ASP 11 -3.471 17.984 3.007 58 HA ASP 11 HA ASP 11 -3.844 16.210 1.627 59 1HB ASP 11 1HB ASP 11 -6.540 17.511 1.200 60 2HB ASP 11 2HB ASP 11 -6.146 15.804 1.015 61 H SER 12 H SER 12 -2.567 18.468 0.427 62 HA SER 12 HA SER 12 -3.363 19.487 -1.910 63 1HB SER 12 1HB SER 12 -1.052 19.284 -2.753 64 2HB SER 12 2HB SER 12 -1.083 19.770 -1.059 65 HG SER 12 HG SER 12 -0.251 17.894 -0.485 66 HA PRO 13 HA PRO 13 -4.562 16.312 -4.700 67 1HB PRO 13 1HB PRO 13 -4.044 17.538 -7.067 68 2HB PRO 13 2HB PRO 13 -5.402 17.987 -6.028 69 1HG PRO 13 1HG PRO 13 -2.721 19.288 -6.310 70 2HG PRO 13 2HG PRO 13 -4.323 20.040 -6.196 71 1HD PRO 13 1HD PRO 13 -2.637 19.877 -4.084 72 2HD PRO 13 2HD PRO 13 -4.402 19.820 -3.903 73 H VAL 14 H VAL 14 -3.714 14.627 -5.866 74 HA VAL 14 HA VAL 14 -2.171 13.233 -6.801 75 HB VAL 14 HB VAL 14 -0.416 15.669 -7.128 76 1HG1 VAL 14 1HG1 VAL 14 -0.022 13.906 -9.235 77 2HG1 VAL 14 2HG1 VAL 14 1.058 14.170 -7.864 78 3HG1 VAL 14 3HG1 VAL 14 -0.135 12.871 -7.811 79 1HG2 VAL 14 1HG2 VAL 14 -2.121 16.395 -8.412 80 2HG2 VAL 14 2HG2 VAL 14 -1.464 15.248 -9.579 81 3HG2 VAL 14 3HG2 VAL 14 -2.832 14.788 -8.565 82 H ASN 15 H ASN 15 -2.273 13.336 -4.068 83 HA ASN 15 HA ASN 15 0.235 13.783 -2.828 84 1HB ASN 15 1HB ASN 15 -2.094 13.595 -1.739 85 2HB ASN 15 2HB ASN 15 -1.837 11.854 -1.802 86 1HD2 ASN 15 1HD2 ASN 15 0.220 14.641 -1.025 87 2HD2 ASN 15 2HD2 ASN 15 0.750 14.037 0.504 88 H LYS 16 H LYS 16 1.398 11.960 -1.648 89 HA LYS 16 HA LYS 16 1.375 9.365 -2.870 90 1HB LYS 16 1HB LYS 16 2.612 10.729 -4.552 91 2HB LYS 16 2HB LYS 16 3.805 11.107 -3.316 92 1HG LYS 16 1HG LYS 16 4.165 8.613 -3.091 93 2HG LYS 16 2HG LYS 16 3.209 8.443 -4.566 94 1HD LYS 16 1HD LYS 16 5.627 10.226 -4.386 95 2HD LYS 16 2HD LYS 16 5.726 8.529 -4.859 96 1HE LYS 16 1HE LYS 16 4.207 8.951 -6.720 97 2HE LYS 16 2HE LYS 16 4.069 10.641 -6.237 98 1HZ LYS 16 1HZ LYS 16 5.929 11.126 -7.314 99 2HZ LYS 16 2HZ LYS 16 5.920 9.564 -7.962 100 3HZ LYS 16 3HZ LYS 16 6.790 9.888 -6.548 101 H VAL 17 H VAL 17 1.713 8.049 -1.215 102 HA VAL 17 HA VAL 17 2.750 8.870 1.271 103 HB VAL 17 HB VAL 17 2.658 6.550 1.934 104 1HG1 VAL 17 1HG1 VAL 17 0.324 6.025 1.338 105 2HG1 VAL 17 2HG1 VAL 17 0.537 7.712 1.808 106 3HG1 VAL 17 3HG1 VAL 17 0.375 7.283 0.104 107 1HG2 VAL 17 1HG2 VAL 17 2.015 4.822 0.200 108 2HG2 VAL 17 2HG2 VAL 17 2.474 6.010 -1.020 109 3HG2 VAL 17 3HG2 VAL 17 3.675 5.414 0.125 110 H GLU 18 H GLU 18 4.176 6.825 -1.274 111 HA GLU 18 HA GLU 18 6.804 7.824 -0.725 112 1HB GLU 18 1HB GLU 18 5.942 5.185 0.338 113 2HB GLU 18 2HB GLU 18 7.540 5.274 -0.390 114 1HG GLU 18 1HG GLU 18 6.494 6.752 1.998 115 2HG GLU 18 2HG GLU 18 7.865 5.649 1.899 116 HA PRO 19 HA PRO 19 7.527 6.611 -4.877 117 1HB PRO 19 1HB PRO 19 10.148 5.903 -4.847 118 2HB PRO 19 2HB PRO 19 9.604 7.579 -4.705 119 1HG PRO 19 1HG PRO 19 10.457 5.676 -2.557 120 2HG PRO 19 2HG PRO 19 10.856 7.393 -2.754 121 1HD PRO 19 1HD PRO 19 8.951 6.528 -1.035 122 2HD PRO 19 2HD PRO 19 8.845 8.091 -1.870 123 H ASN 20 H ASN 20 7.317 4.376 -2.482 124 HA ASN 20 HA ASN 20 8.293 2.076 -3.937 125 1HB ASN 20 1HB ASN 20 7.051 2.543 -1.259 126 2HB ASN 20 2HB ASN 20 6.984 0.921 -1.943 127 1HD2 ASN 20 1HD2 ASN 20 9.483 3.426 -2.078 128 2HD2 ASN 20 2HD2 ASN 20 10.732 2.461 -1.375 129 H ASP 21 H ASP 21 6.057 3.821 -4.964 130 HA ASP 21 HA ASP 21 3.558 2.769 -4.858 131 1HB ASP 21 1HB ASP 21 3.203 3.561 -7.135 132 2HB ASP 21 2HB ASP 21 4.195 4.713 -6.245 133 H THR 22 H THR 22 6.318 1.435 -6.586 134 HA THR 22 HA THR 22 5.319 -0.422 -8.246 135 HB THR 22 HB THR 22 7.588 -0.695 -6.290 136 HG1 THR 22 1HG THR 22 8.644 0.150 -7.913 137 1HG2 THR 22 1HG2 THR 22 6.732 -2.951 -6.653 138 2HG2 THR 22 2HG2 THR 22 8.272 -2.734 -7.485 139 3HG2 THR 22 3HG2 THR 22 6.763 -2.696 -8.397 140 H LEU 23 H LEU 23 4.974 -0.428 -4.791 141 HA LEU 23 HA LEU 23 4.149 -3.158 -4.560 142 1HB LEU 23 1HB LEU 23 4.070 -0.772 -2.753 143 2HB LEU 23 2HB LEU 23 3.238 -2.262 -2.312 144 HG LEU 23 HG LEU 23 5.264 -3.460 -2.140 145 1HD1 LEU 23 1HD1 LEU 23 7.417 -2.605 -2.818 146 2HD1 LEU 23 2HD1 LEU 23 6.690 -1.077 -3.314 147 3HD1 LEU 23 3HD1 LEU 23 6.305 -2.560 -4.186 148 1HD2 LEU 23 1HD2 LEU 23 5.998 -2.520 -0.237 149 2HD2 LEU 23 2HD2 LEU 23 4.707 -1.352 -0.522 150 3HD2 LEU 23 3HD2 LEU 23 6.359 -0.979 -1.016 151 H GLU 24 H GLU 24 2.427 -0.043 -4.526 152 HA GLU 24 HA GLU 24 -0.125 -0.657 -4.082 153 1HB GLU 24 1HB GLU 24 0.678 1.559 -4.856 154 2HB GLU 24 2HB GLU 24 0.751 0.934 -6.498 155 1HG GLU 24 1HG GLU 24 -1.738 0.394 -6.186 156 2HG GLU 24 2HG GLU 24 -1.652 1.483 -4.803 157 H LYS 25 H LYS 25 1.652 -1.581 -6.970 158 HA LYS 25 HA LYS 25 -0.627 -2.684 -8.314 159 1HB LYS 25 1HB LYS 25 1.642 -1.830 -9.295 160 2HB LYS 25 2HB LYS 25 2.198 -3.462 -8.947 161 1HG LYS 25 1HG LYS 25 0.630 -4.417 -10.434 162 2HG LYS 25 2HG LYS 25 -0.253 -2.896 -10.590 163 1HD LYS 25 1HD LYS 25 2.629 -3.025 -11.374 164 2HD LYS 25 2HD LYS 25 1.395 -3.654 -12.469 165 1HE LYS 25 1HE LYS 25 1.421 -0.870 -11.307 166 2HE LYS 25 2HE LYS 25 1.993 -1.295 -12.920 167 1HZ LYS 25 1HZ LYS 25 -0.258 -0.448 -12.996 168 2HZ LYS 25 2HZ LYS 25 -0.780 -1.637 -11.913 169 3HZ LYS 25 3HZ LYS 25 -0.239 -2.077 -13.454 170 H VAL 26 H VAL 26 2.345 -4.310 -7.197 171 HA VAL 26 HA VAL 26 1.545 -6.903 -7.314 172 HB VAL 26 HB VAL 26 3.753 -5.745 -6.359 173 1HG1 VAL 26 1HG1 VAL 26 4.021 -6.116 -3.992 174 2HG1 VAL 26 2HG1 VAL 26 2.623 -5.073 -4.259 175 3HG1 VAL 26 3HG1 VAL 26 2.392 -6.779 -3.875 176 1HG2 VAL 26 1HG2 VAL 26 2.925 -8.507 -5.487 177 2HG2 VAL 26 2HG2 VAL 26 3.405 -8.101 -7.135 178 3HG2 VAL 26 3HG2 VAL 26 4.558 -7.925 -5.813 179 H PHE 27 H PHE 27 0.709 -4.559 -4.827 180 HA PHE 27 HA PHE 27 -0.376 -6.216 -2.896 181 1HB PHE 27 1HB PHE 27 -0.195 -3.946 -2.323 182 2HB PHE 27 2HB PHE 27 -1.048 -3.419 -3.770 183 HD1 PHE 27 1HD PHE 27 -1.357 -4.498 -0.338 184 HD2 PHE 27 2HD PHE 27 -3.502 -3.708 -3.928 185 HE1 PHE 27 1HE PHE 27 -3.455 -4.396 0.943 186 HE2 PHE 27 2HE PHE 27 -5.604 -3.604 -2.653 187 HZ PHE 27 HZ PHE 27 -5.582 -3.947 -0.214 188 H VAL 28 H VAL 28 -1.974 -4.810 -5.741 189 HA VAL 28 HA VAL 28 -4.261 -6.601 -5.278 190 HB VAL 28 HB VAL 28 -4.926 -4.290 -5.441 191 1HG1 VAL 28 1HG1 VAL 28 -2.951 -4.246 -7.574 192 2HG1 VAL 28 2HG1 VAL 28 -4.467 -3.467 -8.031 193 3HG1 VAL 28 3HG1 VAL 28 -3.592 -2.925 -6.598 194 1HG2 VAL 28 1HG2 VAL 28 -6.047 -6.301 -6.839 195 2HG2 VAL 28 2HG2 VAL 28 -6.718 -4.671 -6.764 196 3HG2 VAL 28 3HG2 VAL 28 -5.731 -5.156 -8.143 197 H SER 29 H SER 29 -1.467 -6.738 -6.839 198 HA SER 29 HA SER 29 -2.543 -7.820 -9.346 199 1HB SER 29 1HB SER 29 -0.543 -6.112 -9.142 200 2HB SER 29 2HB SER 29 0.394 -7.570 -8.817 201 HG SER 29 HG SER 29 0.168 -6.858 -11.095 202 H VAL 30 H VAL 30 -0.316 -8.657 -6.706 203 HA VAL 30 HA VAL 30 -0.518 -11.482 -7.498 204 HB VAL 30 HB VAL 30 1.538 -11.901 -6.532 205 1HG1 VAL 30 1HG1 VAL 30 1.667 -9.033 -7.455 206 2HG1 VAL 30 2HG1 VAL 30 3.072 -10.070 -7.203 207 3HG1 VAL 30 3HG1 VAL 30 1.885 -10.478 -8.442 208 1HG2 VAL 30 1HG2 VAL 30 2.611 -10.469 -4.849 209 2HG2 VAL 30 2HG2 VAL 30 1.224 -9.381 -4.901 210 3HG2 VAL 30 3HG2 VAL 30 1.027 -11.034 -4.318 211 H THR 31 H THR 31 -0.661 -9.344 -4.668 212 HA THR 31 HA THR 31 -2.813 -10.728 -3.486 213 HB THR 31 HB THR 31 -1.106 -12.454 -3.054 214 HG1 THR 31 1HG THR 31 -1.429 -12.440 -0.698 215 1HG2 THR 31 1HG2 THR 31 0.956 -11.975 -2.350 216 2HG2 THR 31 2HG2 THR 31 0.333 -11.063 -0.975 217 3HG2 THR 31 3HG2 THR 31 0.557 -10.268 -2.532 218 H LYS 32 H LYS 32 -3.504 -9.782 -1.500 219 HA LYS 32 HA LYS 32 -2.848 -7.015 -1.282 220 1HB LYS 32 1HB LYS 32 -4.437 -8.601 0.728 221 2HB LYS 32 2HB LYS 32 -4.567 -6.888 0.349 222 1HG LYS 32 1HG LYS 32 -5.283 -9.114 -1.547 223 2HG LYS 32 2HG LYS 32 -6.435 -8.244 -0.531 224 1HD LYS 32 1HD LYS 32 -5.447 -6.127 -1.655 225 2HD LYS 32 2HD LYS 32 -4.851 -7.255 -2.874 226 1HE LYS 32 1HE LYS 32 -7.051 -7.961 -3.417 227 2HE LYS 32 2HE LYS 32 -7.733 -7.144 -2.012 228 1HZ LYS 32 1HZ LYS 32 -6.809 -6.004 -4.555 229 2HZ LYS 32 2HZ LYS 32 -6.734 -5.053 -3.158 230 3HZ LYS 32 3HZ LYS 32 -8.219 -5.674 -3.680 231 H TYR 33 H TYR 33 -2.062 -9.903 0.564 232 HA TYR 33 HA TYR 33 -0.130 -8.304 2.103 233 1HB TYR 33 1HB TYR 33 -2.211 -10.187 3.083 234 2HB TYR 33 2HB TYR 33 -0.645 -10.235 3.884 235 HD1 TYR 33 1HD TYR 33 -0.713 -9.112 5.894 236 HD2 TYR 33 2HD TYR 33 -2.797 -7.470 2.567 237 HE1 TYR 33 1HE TYR 33 -1.350 -7.169 7.260 238 HE2 TYR 33 2HE TYR 33 -3.438 -5.522 3.924 239 HH TYR 33 HH TYR 33 -3.748 -5.093 6.497 240 HA PRO 34 HA PRO 34 2.238 -11.572 -0.020 241 1HB PRO 34 1HB PRO 34 4.543 -10.139 -0.084 242 2HB PRO 34 2HB PRO 34 3.256 -9.943 -1.281 243 1HG PRO 34 1HG PRO 34 3.871 -8.278 1.130 244 2HG PRO 34 2HG PRO 34 3.425 -7.757 -0.505 245 1HD PRO 34 1HD PRO 34 1.648 -7.827 1.537 246 2HD PRO 34 2HD PRO 34 1.179 -8.132 -0.148 247 H ASP 35 H ASP 35 4.438 -12.506 0.573 248 HA ASP 35 HA ASP 35 4.788 -12.444 3.500 249 1HB ASP 35 1HB ASP 35 5.277 -14.829 1.709 250 2HB ASP 35 2HB ASP 35 5.302 -14.794 3.470 251 H GLU 36 H GLU 36 6.996 -13.282 4.172 252 HA GLU 36 HA GLU 36 9.011 -11.649 3.524 253 1HB GLU 36 1HB GLU 36 9.026 -13.533 5.229 254 2HB GLU 36 2HB GLU 36 9.530 -14.593 3.921 255 1HG GLU 36 1HG GLU 36 11.485 -13.959 5.077 256 2HG GLU 36 2HG GLU 36 11.481 -13.060 3.561 257 H LYS 37 H LYS 37 8.551 -14.795 1.909 258 HA LYS 37 HA LYS 37 10.514 -14.903 0.106 259 1HB LYS 37 1HB LYS 37 7.587 -15.470 -0.235 260 2HB LYS 37 2HB LYS 37 8.693 -15.693 -1.585 261 1HG LYS 37 1HG LYS 37 9.223 -16.964 1.074 262 2HG LYS 37 2HG LYS 37 8.143 -17.712 -0.104 263 1HD LYS 37 1HD LYS 37 10.896 -16.829 -0.895 264 2HD LYS 37 2HD LYS 37 10.644 -18.380 -0.090 265 1HE LYS 37 1HE LYS 37 10.487 -19.022 -2.283 266 2HE LYS 37 2HE LYS 37 8.795 -18.668 -1.935 267 1HZ LYS 37 1HZ LYS 37 10.481 -16.503 -2.959 268 2HZ LYS 37 2HZ LYS 37 8.831 -16.790 -3.197 269 3HZ LYS 37 3HZ LYS 37 9.979 -17.700 -4.044 270 H ARG 38 H ARG 38 7.518 -13.073 -0.543 271 HA ARG 38 HA ARG 38 8.487 -11.867 -2.909 272 1HB ARG 38 1HB ARG 38 6.064 -12.118 -2.179 273 2HB ARG 38 2HB ARG 38 6.337 -10.742 -1.118 274 1HG ARG 38 1HG ARG 38 6.439 -9.253 -2.841 275 2HG ARG 38 2HG ARG 38 7.040 -10.453 -3.988 276 1HD ARG 38 1HD ARG 38 4.260 -10.617 -2.876 277 2HD ARG 38 2HD ARG 38 4.629 -9.588 -4.259 278 HE ARG 38 HE ARG 38 4.488 -12.465 -4.219 279 1HH1 ARG 38 2HH1 ARG 38 5.735 -9.663 -5.866 280 2HH1 ARG 38 1HH1 ARG 38 5.911 -10.474 -7.387 281 1HH2 ARG 38 2HH2 ARG 38 4.714 -13.543 -6.216 282 2HH2 ARG 38 1HH2 ARG 38 5.329 -12.681 -7.586 283 H LEU 39 H LEU 39 8.230 -10.679 0.430 284 HA LEU 39 HA LEU 39 9.077 -8.091 0.124 285 1HB LEU 39 1HB LEU 39 9.320 -10.101 2.292 286 2HB LEU 39 2HB LEU 39 10.292 -8.637 2.429 287 HG LEU 39 HG LEU 39 8.210 -8.442 3.679 288 1HD1 LEU 39 1HD1 LEU 39 7.832 -6.278 3.101 289 2HD1 LEU 39 2HD1 LEU 39 7.738 -6.635 1.377 290 3HD1 LEU 39 3HD1 LEU 39 9.308 -6.550 2.176 291 1HD2 LEU 39 1HD2 LEU 39 6.164 -8.934 2.880 292 2HD2 LEU 39 2HD2 LEU 39 7.068 -9.920 1.730 293 3HD2 LEU 39 3HD2 LEU 39 6.522 -8.306 1.272 294 H LYS 40 H LYS 40 11.082 -10.999 0.365 295 HA LYS 40 HA LYS 40 13.597 -9.986 0.563 296 1HB LYS 40 1HB LYS 40 12.477 -12.321 -0.927 297 2HB LYS 40 2HB LYS 40 14.169 -11.904 -1.166 298 1HG LYS 40 1HG LYS 40 14.696 -12.295 1.090 299 2HG LYS 40 2HG LYS 40 12.997 -12.309 1.567 300 1HD LYS 40 1HD LYS 40 13.629 -14.568 1.553 301 2HD LYS 40 2HD LYS 40 12.765 -14.340 0.031 302 1HE LYS 40 1HE LYS 40 14.600 -15.461 -0.734 303 2HE LYS 40 2HE LYS 40 15.194 -13.806 -0.858 304 1HZ LYS 40 1HZ LYS 40 16.055 -14.222 1.511 305 2HZ LYS 40 2HZ LYS 40 16.901 -14.903 0.214 306 3HZ LYS 40 3HZ LYS 40 15.863 -15.862 1.144 307 H GLY 41 H GLY 41 11.719 -10.283 -2.445 308 1HA GLY 41 1HA GLY 41 13.705 -9.193 -4.136 309 2HA GLY 41 2HA GLY 41 11.990 -9.301 -4.503 310 H LEU 42 H LEU 42 10.663 -7.660 -3.075 311 HA LEU 42 HA LEU 42 11.102 -5.129 -4.001 312 1HB LEU 42 1HB LEU 42 9.746 -6.061 -1.486 313 2HB LEU 42 2HB LEU 42 9.748 -4.370 -1.983 314 HG LEU 42 HG LEU 42 8.627 -6.614 -3.656 315 1HD1 LEU 42 1HD1 LEU 42 6.853 -4.660 -2.323 316 2HD1 LEU 42 2HD1 LEU 42 7.554 -5.923 -1.312 317 3HD1 LEU 42 3HD1 LEU 42 6.583 -6.358 -2.719 318 1HD2 LEU 42 1HD2 LEU 42 7.404 -4.520 -4.607 319 2HD2 LEU 42 2HD2 LEU 42 9.050 -4.888 -5.124 320 3HD2 LEU 42 3HD2 LEU 42 8.765 -3.641 -3.909 321 H SER 43 H SER 43 12.374 -6.578 -1.050 322 HA SER 43 HA SER 43 13.411 -4.345 0.209 323 1HB SER 43 1HB SER 43 13.467 -6.452 1.343 324 2HB SER 43 2HB SER 43 14.460 -7.177 0.079 325 HG SER 43 HG SER 43 15.202 -5.201 1.967 326 H LYS 44 H LYS 44 14.695 -6.173 -2.502 327 HA LYS 44 HA LYS 44 17.137 -4.597 -2.557 328 1HB LYS 44 1HB LYS 44 17.179 -7.028 -3.061 329 2HB LYS 44 2HB LYS 44 16.173 -6.729 -4.473 330 1HG LYS 44 1HG LYS 44 18.395 -6.927 -5.245 331 2HG LYS 44 2HG LYS 44 17.986 -5.212 -5.318 332 1HD LYS 44 1HD LYS 44 20.035 -5.064 -4.322 333 2HD LYS 44 2HD LYS 44 19.029 -5.238 -2.882 334 1HE LYS 44 1HE LYS 44 20.037 -7.705 -4.200 335 2HE LYS 44 2HE LYS 44 21.183 -6.730 -3.281 336 1HZ LYS 44 1HZ LYS 44 18.731 -7.139 -1.871 337 2HZ LYS 44 2HZ LYS 44 20.320 -7.431 -1.372 338 3HZ LYS 44 3HZ LYS 44 19.484 -8.603 -2.260 339 H GLN 45 H GLN 45 14.332 -5.186 -4.664 340 HA GLN 45 HA GLN 45 14.916 -3.570 -6.786 341 1HB GLN 45 1HB GLN 45 12.916 -4.884 -6.803 342 2HB GLN 45 2HB GLN 45 12.268 -4.022 -5.413 343 1HG GLN 45 1HG GLN 45 11.092 -3.010 -7.066 344 2HG GLN 45 2HG GLN 45 12.500 -1.951 -7.024 345 1HE2 GLN 45 1HE2 GLN 45 10.469 -3.375 -9.059 346 2HE2 GLN 45 2HE2 GLN 45 11.497 -3.630 -10.423 347 H LEU 46 H LEU 46 13.095 -2.505 -3.907 348 HA LEU 46 HA LEU 46 13.675 0.272 -4.614 349 1HB LEU 46 1HB LEU 46 11.886 -0.828 -2.452 350 2HB LEU 46 2HB LEU 46 12.013 0.860 -2.943 351 HG LEU 46 HG LEU 46 11.152 -1.208 -4.926 352 1HD1 LEU 46 1HD1 LEU 46 9.067 0.220 -3.381 353 2HD1 LEU 46 2HD1 LEU 46 9.844 -1.164 -2.612 354 3HD1 LEU 46 3HD1 LEU 46 9.023 -1.362 -4.160 355 1HD2 LEU 46 1HD2 LEU 46 10.895 0.590 -6.196 356 2HD2 LEU 46 2HD2 LEU 46 11.468 1.610 -4.876 357 3HD2 LEU 46 3HD2 LEU 46 9.747 1.258 -5.035 358 H ASP 47 H ASP 47 15.596 -1.725 -3.395 359 HA ASP 47 HA ASP 47 17.071 -1.899 -1.633 360 1HB ASP 47 1HB ASP 47 17.092 0.930 -2.596 361 2HB ASP 47 2HB ASP 47 18.073 0.508 -1.195 362 H TRP 48 H TRP 48 14.551 -1.981 -0.580 363 HA TRP 48 HA TRP 48 14.700 -0.220 1.776 364 1HB TRP 48 1HB TRP 48 12.424 -1.337 0.219 365 2HB TRP 48 2HB TRP 48 12.208 -1.174 1.960 366 HD1 TRP 48 HD TRP 48 14.350 1.475 0.341 367 HE1 TRP 48 1HE TRP 48 13.049 3.694 0.260 368 HE3 TRP 48 3HE TRP 48 9.731 -0.241 1.704 369 HZ2 TRP 48 2HZ TRP 48 10.414 4.599 0.714 370 HZ3 TRP 48 3HZ TRP 48 7.874 1.367 1.858 371 HH2 TRP 48 HH TRP 48 8.211 3.736 1.373 372 H SER 49 H SER 49 13.318 -1.414 3.648 373 HA SER 49 HA SER 49 14.702 -3.979 4.053 374 1HB SER 49 1HB SER 49 15.017 -1.911 5.627 375 2HB SER 49 2HB SER 49 13.458 -2.407 6.287 376 HG SER 49 HG SER 49 15.392 -4.383 5.965 377 H VAL 50 H VAL 50 13.591 -5.795 4.600 378 HA VAL 50 HA VAL 50 11.088 -6.319 3.735 379 HB VAL 50 HB VAL 50 12.521 -8.096 4.527 380 1HG1 VAL 50 1HG1 VAL 50 11.917 -7.601 7.384 381 2HG1 VAL 50 2HG1 VAL 50 13.344 -8.318 6.632 382 3HG1 VAL 50 3HG1 VAL 50 13.127 -6.567 6.625 383 1HG2 VAL 50 1HG2 VAL 50 9.777 -7.821 5.614 384 2HG2 VAL 50 2HG2 VAL 50 10.431 -8.996 4.474 385 3HG2 VAL 50 3HG2 VAL 50 10.752 -9.169 6.199 386 H ARG 51 H ARG 51 11.929 -4.987 6.898 387 HA ARG 51 HA ARG 51 9.245 -5.010 7.883 388 1HB ARG 51 1HB ARG 51 11.743 -3.596 8.820 389 2HB ARG 51 2HB ARG 51 10.203 -3.501 9.664 390 1HG ARG 51 1HG ARG 51 10.367 -6.120 9.594 391 2HG ARG 51 2HG ARG 51 12.090 -5.783 9.406 392 1HD ARG 51 1HD ARG 51 12.230 -4.721 11.478 393 2HD ARG 51 2HD ARG 51 10.487 -4.468 11.569 394 HE ARG 51 HE ARG 51 11.170 -7.238 11.543 395 1HH1 ARG 51 2HH1 ARG 51 10.967 -4.417 13.574 396 2HH1 ARG 51 1HH1 ARG 51 10.743 -5.323 15.033 397 1HH2 ARG 51 2HH2 ARG 51 10.874 -8.442 13.458 398 2HH2 ARG 51 1HH2 ARG 51 10.691 -7.613 14.966 399 H LYS 52 H LYS 52 11.418 -2.362 6.883 400 HA LYS 52 HA LYS 52 9.714 -0.234 7.076 401 1HB LYS 52 1HB LYS 52 12.132 -0.181 6.382 402 2HB LYS 52 2HB LYS 52 11.617 -0.650 4.767 403 1HG LYS 52 1HG LYS 52 10.251 1.393 4.635 404 2HG LYS 52 2HG LYS 52 10.849 1.870 6.226 405 1HD LYS 52 1HD LYS 52 13.191 1.614 5.186 406 2HD LYS 52 2HD LYS 52 12.348 1.650 3.635 407 1HE LYS 52 1HE LYS 52 11.361 3.813 4.234 408 2HE LYS 52 2HE LYS 52 12.219 3.775 5.773 409 1HZ LYS 52 1HZ LYS 52 14.312 3.782 4.563 410 2HZ LYS 52 2HZ LYS 52 13.381 5.134 4.155 411 3HZ LYS 52 3HZ LYS 52 13.486 3.826 3.087 412 H ILE 53 H ILE 53 10.030 -2.434 4.302 413 HA ILE 53 HA ILE 53 8.166 -1.211 2.625 414 HB ILE 53 HB ILE 53 8.822 -4.152 2.831 415 1HG1 ILE 53 1HG1 ILE 53 9.913 -2.224 0.800 416 2HG1 ILE 53 2HG1 ILE 53 10.681 -2.398 2.374 417 1HG2 ILE 53 1HG2 ILE 53 7.890 -2.862 0.319 418 2HG2 ILE 53 2HG2 ILE 53 7.716 -4.528 0.866 419 3HG2 ILE 53 3HG2 ILE 53 6.697 -3.264 1.553 420 1HD1 ILE 53 1HD1 ILE 53 10.344 -4.998 1.448 421 2HD1 ILE 53 2HD1 ILE 53 10.873 -4.068 0.046 422 3HD1 ILE 53 3HD1 ILE 53 11.842 -4.072 1.519 423 H GLN 54 H GLN 54 7.670 -4.006 4.788 424 HA GLN 54 HA GLN 54 5.056 -4.553 4.455 425 1HB GLN 54 1HB GLN 54 6.691 -4.419 6.969 426 2HB GLN 54 2HB GLN 54 4.996 -4.886 7.029 427 1HG GLN 54 1HG GLN 54 5.394 -6.776 5.628 428 2HG GLN 54 2HG GLN 54 7.049 -6.256 5.313 429 1HE2 GLN 54 1HE2 GLN 54 7.023 -8.677 6.101 430 2HE2 GLN 54 2HE2 GLN 54 7.401 -8.875 7.775 431 H CYS 55 H CYS 55 6.294 -1.922 6.501 432 HA CYS 55 HA CYS 55 3.913 -0.945 7.490 433 1HB CYS 55 1HB CYS 55 6.387 -0.187 7.882 434 2HB CYS 55 2HB CYS 55 6.048 0.959 6.591 435 HG CYS 55 HG CYS 55 5.808 2.223 9.100 436 H TRP 56 H TRP 56 5.489 -0.158 4.410 437 HA TRP 56 HA TRP 56 3.747 1.809 3.518 438 1HB TRP 56 1HB TRP 56 5.880 1.187 2.408 439 2HB TRP 56 2HB TRP 56 5.117 -0.288 1.821 440 HD1 TRP 56 HD TRP 56 5.572 3.328 0.981 441 HE1 TRP 56 1HE TRP 56 4.274 3.897 -1.168 442 HE3 TRP 56 3HE TRP 56 2.807 -0.950 0.546 443 HZ2 TRP 56 2HZ TRP 56 2.335 2.692 -2.828 444 HZ3 TRP 56 3HZ TRP 56 1.254 -1.162 -1.350 445 HH2 TRP 56 HH TRP 56 1.024 0.622 -3.001 446 H PHE 57 H PHE 57 3.521 -1.712 3.153 447 HA PHE 57 HA PHE 57 1.222 -1.773 1.557 448 1HB PHE 57 1HB PHE 57 2.590 -3.710 3.365 449 2HB PHE 57 2HB PHE 57 0.952 -4.088 2.840 450 HD1 PHE 57 1HD PHE 57 4.431 -3.746 1.832 451 HD2 PHE 57 2HD PHE 57 0.463 -4.498 0.488 452 HE1 PHE 57 1HE PHE 57 5.319 -4.613 -0.292 453 HE2 PHE 57 2HE PHE 57 1.345 -5.366 -1.639 454 HZ PHE 57 HZ PHE 57 3.775 -5.425 -2.031 455 H ARG 58 H ARG 58 1.562 -1.961 5.091 456 HA ARG 58 HA ARG 58 -1.123 -2.260 5.744 457 1HB ARG 58 1HB ARG 58 0.471 -2.557 7.469 458 2HB ARG 58 2HB ARG 58 1.168 -0.964 7.206 459 1HG ARG 58 1HG ARG 58 -0.505 0.110 8.349 460 2HG ARG 58 2HG ARG 58 -1.681 -1.171 8.045 461 1HD ARG 58 1HD ARG 58 0.706 -1.420 9.871 462 2HD ARG 58 2HD ARG 58 -0.934 -1.056 10.406 463 HE ARG 58 HE ARG 58 0.112 -3.614 9.740 464 1HH1 ARG 58 2HH1 ARG 58 -2.778 -1.676 9.619 465 2HH1 ARG 58 1HH1 ARG 58 -3.849 -3.038 9.649 466 1HH2 ARG 58 2HH2 ARG 58 -1.288 -5.415 9.780 467 2HH2 ARG 58 1HH2 ARG 58 -3.000 -5.164 9.742 468 H HIS 59 H HIS 59 0.731 0.660 5.055 469 HA HIS 59 HA HIS 59 -1.357 2.475 5.745 470 1HB HIS 59 1HB HIS 59 1.189 2.919 5.533 471 2HB HIS 59 2HB HIS 59 0.856 3.120 3.815 472 HD1 HIS 59 1HD HIS 59 1.499 5.196 6.442 473 HD2 HIS 59 2HD HIS 59 -1.724 4.999 3.828 474 HE1 HIS 59 1HE HIS 59 0.440 7.476 6.507 475 HE2 HIS 59 2HE HIS 59 -1.558 7.307 4.983 476 H ARG 60 H ARG 60 -0.346 0.875 2.783 477 HA ARG 60 HA ARG 60 -1.752 2.327 0.895 478 1HB ARG 60 1HB ARG 60 -0.220 0.590 0.229 479 2HB ARG 60 2HB ARG 60 -1.197 -0.639 1.019 480 1HG ARG 60 1HG ARG 60 -1.542 -0.759 -1.349 481 2HG ARG 60 2HG ARG 60 -3.018 -0.167 -0.583 482 1HD ARG 60 1HD ARG 60 -2.136 2.174 -1.098 483 2HD ARG 60 2HD ARG 60 -0.977 1.374 -2.159 484 HE ARG 60 HE ARG 60 -3.317 0.362 -3.004 485 1HH1 ARG 60 2HH1 ARG 60 -2.264 3.622 -2.385 486 2HH1 ARG 60 1HH1 ARG 60 -3.299 4.323 -3.585 487 1HH2 ARG 60 2HH2 ARG 60 -4.685 1.273 -4.587 488 2HH2 ARG 60 1HH2 ARG 60 -4.676 2.986 -4.836 489 H ARG 61 H ARG 61 -2.884 -0.587 2.616 490 HA ARG 61 HA ARG 61 -5.386 -0.892 1.659 491 1HB ARG 61 1HB ARG 61 -4.217 -1.236 4.372 492 2HB ARG 61 2HB ARG 61 -5.969 -1.309 4.235 493 1HG ARG 61 1HG ARG 61 -5.370 -2.968 2.257 494 2HG ARG 61 2HG ARG 61 -3.903 -3.171 3.216 495 1HD ARG 61 1HD ARG 61 -5.302 -4.813 4.066 496 2HD ARG 61 2HD ARG 61 -5.527 -3.483 5.202 497 HE ARG 61 HE ARG 61 -7.421 -3.579 3.017 498 1HH1 ARG 61 2HH1 ARG 61 -6.701 -4.502 6.296 499 2HH1 ARG 61 1HH1 ARG 61 -8.361 -4.739 6.732 500 1HH2 ARG 61 2HH2 ARG 61 -9.610 -3.887 3.579 501 2HH2 ARG 61 1HH2 ARG 61 -10.015 -4.390 5.186 502 H ASN 62 H ASN 62 -4.458 1.457 4.159 503 HA ASN 62 HA ASN 62 -7.006 2.530 4.606 504 1HB ASN 62 1HB ASN 62 -5.550 3.233 6.229 505 2HB ASN 62 2HB ASN 62 -4.212 3.421 5.099 506 1HD2 ASN 62 1HD2 ASN 62 -4.350 5.262 3.604 507 2HD2 ASN 62 2HD2 ASN 62 -5.058 6.730 4.178 508 H GLN 63 H GLN 63 -4.427 3.576 2.396 509 HA GLN 63 HA GLN 63 -5.619 5.843 1.355 510 1HB GLN 63 1HB GLN 63 -3.700 3.840 0.222 511 2HB GLN 63 2HB GLN 63 -4.319 5.132 -0.797 512 1HG GLN 63 1HG GLN 63 -3.544 6.687 1.115 513 2HG GLN 63 2HG GLN 63 -2.570 5.307 1.616 514 1HE2 GLN 63 1HE2 GLN 63 -1.318 4.292 -0.258 515 2HE2 GLN 63 2HE2 GLN 63 -0.503 5.397 -1.305 516 H ASP 64 H ASP 64 -6.184 2.468 0.572 517 HA ASP 64 HA ASP 64 -7.474 2.427 -1.770 518 1HB ASP 64 1HB ASP 64 -8.533 0.501 -1.091 519 2HB ASP 64 2HB ASP 64 -7.314 0.639 0.174 520 H LYS 65 H LYS 65 -8.811 3.752 1.216 521 HA LYS 65 HA LYS 65 -10.994 4.931 -0.375 522 1HB LYS 65 1HB LYS 65 -12.414 4.827 1.611 523 2HB LYS 65 2HB LYS 65 -11.843 3.223 1.168 524 1HG LYS 65 1HG LYS 65 -11.481 3.124 3.401 525 2HG LYS 65 2HG LYS 65 -9.940 3.831 2.910 526 1HD LYS 65 1HD LYS 65 -10.496 5.290 4.572 527 2HD LYS 65 2HD LYS 65 -11.307 6.085 3.220 528 1HE LYS 65 1HE LYS 65 -12.614 4.148 5.129 529 2HE LYS 65 2HE LYS 65 -12.725 5.904 5.241 530 1HZ LYS 65 1HZ LYS 65 -14.657 4.953 4.142 531 2HZ LYS 65 2HZ LYS 65 -13.672 4.261 2.955 532 3HZ LYS 65 3HZ LYS 65 -13.792 5.944 3.078 533 HA PRO 66 HA PRO 66 -9.212 8.788 0.875 534 1HB PRO 66 1HB PRO 66 -11.235 10.382 0.014 535 2HB PRO 66 2HB PRO 66 -10.069 9.632 -1.083 536 1HG PRO 66 1HG PRO 66 -12.850 8.765 -0.392 537 2HG PRO 66 2HG PRO 66 -12.054 8.811 -1.976 538 1HD PRO 66 1HD PRO 66 -12.322 6.528 -0.545 539 2HD PRO 66 2HD PRO 66 -10.934 6.830 -1.610 540 H SER 67 H SER 67 -12.716 8.403 1.458 541 HA SER 67 HA SER 67 -13.030 10.240 3.481 542 1HB SER 67 1HB SER 67 -14.423 7.705 2.758 543 2HB SER 67 2HB SER 67 -14.795 8.430 4.321 544 HG SER 67 HG SER 67 -15.568 9.199 1.844 545 H GLY 68 H GLY 68 -13.583 9.616 5.839 546 1HA GLY 68 1HA GLY 68 -13.033 8.210 7.726 547 2HA GLY 68 2HA GLY 68 -11.577 7.719 6.874 548 HA PRO 69 HA PRO 69 -10.876 12.224 8.555 549 1HB PRO 69 1HB PRO 69 -12.584 13.002 10.516 550 2HB PRO 69 2HB PRO 69 -12.878 13.323 8.803 551 1HG PRO 69 1HG PRO 69 -13.999 11.162 10.545 552 2HG PRO 69 2HG PRO 69 -14.823 12.167 9.338 553 1HD PRO 69 1HD PRO 69 -14.035 9.627 8.826 554 2HD PRO 69 2HD PRO 69 -14.073 10.886 7.575 555 H SER 70 H SER 70 -11.458 9.324 10.136 556 HA SER 70 HA SER 70 -10.692 9.828 12.774 557 1HB SER 70 1HB SER 70 -10.449 7.383 11.026 558 2HB SER 70 2HB SER 70 -9.913 7.382 12.706 559 HG SER 70 HG SER 70 -12.514 8.190 11.940 560 H SER 71 H SER 71 -8.815 10.307 13.715 561 HA SER 71 HA SER 71 -6.470 10.672 12.061 562 1HB SER 71 1HB SER 71 -5.502 11.773 13.991 563 2HB SER 71 2HB SER 71 -7.157 12.345 13.784 564 HG SER 71 HG SER 71 -7.203 11.832 15.850 565 H GLY 72 H GLY 72 -4.390 9.784 12.544 566 1HA GLY 72 1HA GLY 72 -4.328 7.033 12.885 567 2HA GLY 72 2HA GLY 72 -2.937 8.090 13.082 Start of MODEL 12 1 1H GLY 1 H GLY 1 -16.798 21.060 5.784 2 1HA GLY 1 1HA GLY 1 -15.510 21.717 3.994 3 2HA GLY 1 2HA GLY 1 -15.049 20.033 3.788 4 H SER 2 H SER 2 -18.020 21.978 3.430 5 HA SER 2 HA SER 2 -19.062 20.367 1.350 6 1HB SER 2 1HB SER 2 -19.728 23.169 2.266 7 2HB SER 2 2HB SER 2 -20.619 22.337 0.992 8 HG SER 2 HG SER 2 -20.648 20.599 2.818 9 H SER 3 H SER 3 -19.140 20.685 -0.863 10 HA SER 3 HA SER 3 -17.300 22.719 -1.941 11 1HB SER 3 1HB SER 3 -17.602 19.822 -2.737 12 2HB SER 3 2HB SER 3 -16.823 21.014 -3.777 13 HG SER 3 HG SER 3 -15.967 20.894 -1.134 14 H GLY 4 H GLY 4 -17.783 23.502 -4.061 15 1HA GLY 4 1HA GLY 4 -20.395 22.814 -5.172 16 2HA GLY 4 2HA GLY 4 -20.181 24.468 -4.619 17 H SER 5 H SER 5 -18.106 25.524 -5.508 18 HA SER 5 HA SER 5 -17.974 24.911 -8.385 19 1HB SER 5 1HB SER 5 -17.450 27.552 -7.000 20 2HB SER 5 2HB SER 5 -17.438 27.271 -8.741 21 HG SER 5 HG SER 5 -19.726 26.413 -8.130 22 H SER 6 H SER 6 -16.138 24.049 -9.062 23 HA SER 6 HA SER 6 -13.784 24.075 -7.394 24 1HB SER 6 1HB SER 6 -14.630 22.111 -8.830 25 2HB SER 6 2HB SER 6 -13.927 22.975 -10.197 26 HG SER 6 HG SER 6 -12.270 21.778 -9.535 27 H GLY 7 H GLY 7 -14.654 25.278 -10.626 28 1HA GLY 7 1HA GLY 7 -13.586 26.774 -12.017 29 2HA GLY 7 2HA GLY 7 -13.374 27.689 -10.531 30 H GLY 8 H GLY 8 -11.906 25.204 -12.577 31 1HA GLY 8 1HA GLY 8 -9.443 26.052 -12.944 32 2HA GLY 8 2HA GLY 8 -9.331 25.613 -11.246 33 H ILE 9 H ILE 9 -8.067 23.852 -11.241 34 HA ILE 9 HA ILE 9 -8.419 21.781 -13.249 35 HB ILE 9 HB ILE 9 -6.485 21.936 -10.933 36 1HG1 ILE 9 1HG1 ILE 9 -5.882 22.287 -13.867 37 2HG1 ILE 9 2HG1 ILE 9 -6.287 23.646 -12.824 38 1HG2 ILE 9 1HG2 ILE 9 -5.335 20.201 -12.587 39 2HG2 ILE 9 2HG2 ILE 9 -6.465 19.699 -11.331 40 3HG2 ILE 9 3HG2 ILE 9 -7.020 19.876 -12.995 41 1HD1 ILE 9 1HD1 ILE 9 -3.847 23.262 -13.185 42 2HD1 ILE 9 2HD1 ILE 9 -4.352 23.300 -11.495 43 3HD1 ILE 9 3HD1 ILE 9 -4.015 21.758 -12.280 44 H LYS 10 H LYS 10 -9.584 19.997 -12.976 45 HA LYS 10 HA LYS 10 -11.274 19.564 -10.816 46 1HB LYS 10 1HB LYS 10 -11.605 18.550 -13.029 47 2HB LYS 10 2HB LYS 10 -10.200 17.524 -12.773 48 1HG LYS 10 1HG LYS 10 -11.387 16.554 -10.790 49 2HG LYS 10 2HG LYS 10 -12.821 17.448 -11.300 50 1HD LYS 10 1HD LYS 10 -11.404 15.674 -13.245 51 2HD LYS 10 2HD LYS 10 -12.494 14.970 -12.048 52 1HE LYS 10 1HE LYS 10 -14.121 16.847 -12.901 53 2HE LYS 10 2HE LYS 10 -13.091 16.795 -14.331 54 1HZ LYS 10 1HZ LYS 10 -13.952 14.853 -14.962 55 2HZ LYS 10 2HZ LYS 10 -15.202 15.173 -13.869 56 3HZ LYS 10 3HZ LYS 10 -13.902 14.197 -13.403 57 H ASP 11 H ASP 11 -11.273 17.993 -9.143 58 HA ASP 11 HA ASP 11 -8.933 17.847 -7.640 59 1HB ASP 11 1HB ASP 11 -10.214 15.922 -6.452 60 2HB ASP 11 2HB ASP 11 -10.889 17.548 -6.409 61 H SER 12 H SER 12 -7.572 16.074 -7.100 62 HA SER 12 HA SER 12 -7.631 13.598 -8.473 63 1HB SER 12 1HB SER 12 -5.798 13.851 -10.003 64 2HB SER 12 2HB SER 12 -6.940 15.152 -10.337 65 HG SER 12 HG SER 12 -4.633 15.406 -8.702 66 HA PRO 13 HA PRO 13 -4.935 12.562 -5.166 67 1HB PRO 13 1HB PRO 13 -3.706 10.369 -6.189 68 2HB PRO 13 2HB PRO 13 -5.391 10.364 -5.655 69 1HG PRO 13 1HG PRO 13 -4.282 10.614 -8.424 70 2HG PRO 13 2HG PRO 13 -5.660 9.655 -7.853 71 1HD PRO 13 1HD PRO 13 -5.961 12.040 -9.100 72 2HD PRO 13 2HD PRO 13 -7.080 11.471 -7.845 73 H VAL 14 H VAL 14 -3.337 14.013 -4.817 74 HA VAL 14 HA VAL 14 -1.013 13.973 -6.626 75 HB VAL 14 HB VAL 14 -2.051 16.163 -6.525 76 1HG1 VAL 14 1HG1 VAL 14 -3.176 16.011 -4.396 77 2HG1 VAL 14 2HG1 VAL 14 -1.631 15.962 -3.545 78 3HG1 VAL 14 3HG1 VAL 14 -2.122 17.425 -4.400 79 1HG2 VAL 14 1HG2 VAL 14 0.170 16.542 -6.850 80 2HG2 VAL 14 2HG2 VAL 14 -0.021 17.364 -5.301 81 3HG2 VAL 14 3HG2 VAL 14 0.642 15.731 -5.356 82 H ASN 15 H ASN 15 -2.008 14.002 -3.235 83 HA ASN 15 HA ASN 15 0.651 13.808 -2.207 84 1HB ASN 15 1HB ASN 15 -1.552 14.630 -1.046 85 2HB ASN 15 2HB ASN 15 -1.756 12.925 -0.654 86 1HD2 ASN 15 1HD2 ASN 15 -1.229 12.656 1.389 87 2HD2 ASN 15 2HD2 ASN 15 0.182 13.283 2.165 88 H LYS 16 H LYS 16 1.903 12.074 -2.215 89 HA LYS 16 HA LYS 16 0.635 9.419 -2.377 90 1HB LYS 16 1HB LYS 16 2.729 8.654 -3.448 91 2HB LYS 16 2HB LYS 16 1.921 9.913 -4.371 92 1HG LYS 16 1HG LYS 16 3.521 11.508 -3.841 93 2HG LYS 16 2HG LYS 16 4.104 10.599 -2.445 94 1HD LYS 16 1HD LYS 16 4.878 8.833 -4.085 95 2HD LYS 16 2HD LYS 16 4.541 10.002 -5.364 96 1HE LYS 16 1HE LYS 16 6.895 10.050 -4.733 97 2HE LYS 16 2HE LYS 16 6.105 11.576 -4.339 98 1HZ LYS 16 1HZ LYS 16 7.483 9.822 -2.626 99 2HZ LYS 16 2HZ LYS 16 5.874 9.921 -2.114 100 3HZ LYS 16 3HZ LYS 16 6.800 11.328 -2.267 101 H VAL 17 H VAL 17 1.241 7.833 -0.970 102 HA VAL 17 HA VAL 17 2.265 8.553 1.537 103 HB VAL 17 HB VAL 17 2.364 6.145 2.021 104 1HG1 VAL 17 1HG1 VAL 17 0.072 7.618 1.153 105 2HG1 VAL 17 2HG1 VAL 17 -0.141 5.912 0.756 106 3HG1 VAL 17 3HG1 VAL 17 0.195 6.396 2.419 107 1HG2 VAL 17 1HG2 VAL 17 1.560 4.589 0.188 108 2HG2 VAL 17 2HG2 VAL 17 1.907 5.898 -0.942 109 3HG2 VAL 17 3HG2 VAL 17 3.206 5.202 0.027 110 H GLU 18 H GLU 18 3.789 6.660 -1.071 111 HA GLU 18 HA GLU 18 6.371 7.759 -0.458 112 1HB GLU 18 1HB GLU 18 5.610 5.035 0.450 113 2HB GLU 18 2HB GLU 18 7.203 5.218 -0.271 114 1HG GLU 18 1HG GLU 18 7.751 5.621 1.883 115 2HG GLU 18 2HG GLU 18 7.316 7.262 1.410 116 HA PRO 19 HA PRO 19 7.177 6.819 -4.665 117 1HB PRO 19 1HB PRO 19 9.820 6.200 -4.649 118 2HB PRO 19 2HB PRO 19 9.218 7.845 -4.413 119 1HG PRO 19 1HG PRO 19 10.117 5.846 -2.374 120 2HG PRO 19 2HG PRO 19 10.459 7.584 -2.464 121 1HD PRO 19 1HD PRO 19 8.570 6.554 -0.820 122 2HD PRO 19 2HD PRO 19 8.418 8.160 -1.561 123 H ASN 20 H ASN 20 7.009 4.440 -2.416 124 HA ASN 20 HA ASN 20 8.081 2.265 -3.992 125 1HB ASN 20 1HB ASN 20 6.699 2.466 -1.332 126 2HB ASN 20 2HB ASN 20 6.901 0.902 -2.116 127 1HD2 ASN 20 1HD2 ASN 20 9.030 3.725 -1.963 128 2HD2 ASN 20 2HD2 ASN 20 10.359 2.899 -1.231 129 H ASP 21 H ASP 21 5.901 3.928 -5.084 130 HA ASP 21 HA ASP 21 3.393 2.849 -5.036 131 1HB ASP 21 1HB ASP 21 3.733 4.789 -6.351 132 2HB ASP 21 2HB ASP 21 4.967 4.003 -7.332 133 H THR 22 H THR 22 6.192 1.651 -6.826 134 HA THR 22 HA THR 22 5.247 -0.197 -8.514 135 HB THR 22 HB THR 22 7.529 -0.458 -6.572 136 HG1 THR 22 1HG THR 22 8.471 0.575 -8.150 137 1HG2 THR 22 1HG2 THR 22 6.997 -2.722 -6.884 138 2HG2 THR 22 2HG2 THR 22 8.232 -2.398 -8.101 139 3HG2 THR 22 3HG2 THR 22 6.533 -2.473 -8.567 140 H LEU 23 H LEU 23 5.140 -0.444 -5.013 141 HA LEU 23 HA LEU 23 4.335 -3.151 -4.867 142 1HB LEU 23 1HB LEU 23 4.195 -0.813 -3.010 143 2HB LEU 23 2HB LEU 23 3.369 -2.315 -2.600 144 HG LEU 23 HG LEU 23 5.430 -3.510 -2.505 145 1HD1 LEU 23 1HD1 LEU 23 6.511 -2.440 -4.434 146 2HD1 LEU 23 2HD1 LEU 23 7.575 -2.515 -3.030 147 3HD1 LEU 23 3HD1 LEU 23 6.790 -0.995 -3.461 148 1HD2 LEU 23 1HD2 LEU 23 4.739 -1.628 -0.720 149 2HD2 LEU 23 2HD2 LEU 23 6.342 -1.042 -1.166 150 3HD2 LEU 23 3HD2 LEU 23 6.145 -2.677 -0.531 151 H GLU 24 H GLU 24 2.486 -0.115 -4.814 152 HA GLU 24 HA GLU 24 -0.038 -0.830 -4.356 153 1HB GLU 24 1HB GLU 24 0.903 1.388 -5.311 154 2HB GLU 24 2HB GLU 24 0.508 0.703 -6.881 155 1HG GLU 24 1HG GLU 24 -1.776 0.708 -6.448 156 2HG GLU 24 2HG GLU 24 -1.542 0.848 -4.707 157 H LYS 25 H LYS 25 1.734 -1.633 -7.295 158 HA LYS 25 HA LYS 25 -0.458 -2.794 -8.674 159 1HB LYS 25 1HB LYS 25 2.525 -2.924 -8.984 160 2HB LYS 25 2HB LYS 25 1.486 -3.963 -9.950 161 1HG LYS 25 1HG LYS 25 0.546 -2.177 -11.094 162 2HG LYS 25 2HG LYS 25 1.021 -1.010 -9.858 163 1HD LYS 25 1HD LYS 25 3.447 -1.817 -10.563 164 2HD LYS 25 2HD LYS 25 2.612 -2.199 -12.070 165 1HE LYS 25 1HE LYS 25 2.529 0.486 -10.700 166 2HE LYS 25 2HE LYS 25 3.623 0.075 -12.020 167 1HZ LYS 25 1HZ LYS 25 1.272 -0.627 -13.063 168 2HZ LYS 25 2HZ LYS 25 1.970 0.899 -13.271 169 3HZ LYS 25 3HZ LYS 25 0.787 0.665 -12.085 170 H VAL 26 H VAL 26 2.411 -4.467 -7.374 171 HA VAL 26 HA VAL 26 1.541 -7.040 -7.476 172 HB VAL 26 HB VAL 26 3.741 -5.918 -6.450 173 1HG1 VAL 26 1HG1 VAL 26 2.414 -5.251 -4.401 174 2HG1 VAL 26 2HG1 VAL 26 2.370 -6.966 -3.986 175 3HG1 VAL 26 3HG1 VAL 26 3.917 -6.125 -4.103 176 1HG2 VAL 26 1HG2 VAL 26 3.181 -8.571 -5.291 177 2HG2 VAL 26 2HG2 VAL 26 2.949 -8.424 -7.033 178 3HG2 VAL 26 3HG2 VAL 26 4.513 -8.037 -6.317 179 H PHE 27 H PHE 27 0.679 -4.618 -5.074 180 HA PHE 27 HA PHE 27 -0.523 -6.184 -3.144 181 1HB PHE 27 1HB PHE 27 -0.221 -3.795 -2.840 182 2HB PHE 27 2HB PHE 27 -1.353 -3.453 -4.144 183 HD1 PHE 27 1HD PHE 27 -0.983 -3.675 -0.682 184 HD2 PHE 27 2HD PHE 27 -3.748 -4.527 -3.804 185 HE1 PHE 27 1HE PHE 27 -2.829 -3.623 0.944 186 HE2 PHE 27 2HE PHE 27 -5.599 -4.475 -2.183 187 HZ PHE 27 HZ PHE 27 -5.141 -4.022 0.194 188 H VAL 28 H VAL 28 -1.981 -4.854 -6.099 189 HA VAL 28 HA VAL 28 -4.310 -6.599 -5.671 190 HB VAL 28 HB VAL 28 -4.934 -4.283 -5.921 191 1HG1 VAL 28 1HG1 VAL 28 -3.203 -4.402 -8.368 192 2HG1 VAL 28 2HG1 VAL 28 -4.465 -3.182 -8.189 193 3HG1 VAL 28 3HG1 VAL 28 -3.143 -3.263 -7.023 194 1HG2 VAL 28 1HG2 VAL 28 -6.057 -6.309 -7.268 195 2HG2 VAL 28 2HG2 VAL 28 -6.679 -4.659 -7.317 196 3HG2 VAL 28 3HG2 VAL 28 -5.649 -5.252 -8.620 197 H SER 29 H SER 29 -1.467 -6.847 -7.098 198 HA SER 29 HA SER 29 -2.454 -7.964 -9.626 199 1HB SER 29 1HB SER 29 -0.426 -6.294 -9.373 200 2HB SER 29 2HB SER 29 0.461 -7.766 -8.976 201 HG SER 29 HG SER 29 -0.015 -6.897 -11.350 202 H VAL 30 H VAL 30 -0.346 -8.780 -6.883 203 HA VAL 30 HA VAL 30 -0.660 -11.625 -7.576 204 HB VAL 30 HB VAL 30 1.384 -12.107 -6.537 205 1HG1 VAL 30 1HG1 VAL 30 1.859 -11.117 -8.620 206 2HG1 VAL 30 2HG1 VAL 30 1.552 -9.490 -8.007 207 3HG1 VAL 30 3HG1 VAL 30 2.985 -10.376 -7.482 208 1HG2 VAL 30 1HG2 VAL 30 1.278 -9.356 -5.305 209 2HG2 VAL 30 2HG2 VAL 30 1.058 -10.893 -4.469 210 3HG2 VAL 30 3HG2 VAL 30 2.629 -10.480 -5.156 211 H THR 31 H THR 31 -0.584 -9.372 -4.831 212 HA THR 31 HA THR 31 -2.774 -10.568 -3.525 213 HB THR 31 HB THR 31 -1.075 -12.368 -3.130 214 HG1 THR 31 1HG THR 31 -1.577 -12.489 -0.875 215 1HG2 THR 31 1HG2 THR 31 0.642 -10.284 -2.613 216 2HG2 THR 31 2HG2 THR 31 0.934 -11.976 -2.212 217 3HG2 THR 31 3HG2 THR 31 0.264 -10.885 -1.000 218 H LYS 32 H LYS 32 -3.439 -9.402 -1.717 219 HA LYS 32 HA LYS 32 -2.351 -6.752 -1.517 220 1HB LYS 32 1HB LYS 32 -4.515 -8.046 0.151 221 2HB LYS 32 2HB LYS 32 -4.186 -6.324 0.020 222 1HG LYS 32 1HG LYS 32 -4.682 -6.571 -2.458 223 2HG LYS 32 2HG LYS 32 -5.328 -8.164 -2.056 224 1HD LYS 32 1HD LYS 32 -7.005 -7.231 -0.664 225 2HD LYS 32 2HD LYS 32 -6.242 -5.640 -0.693 226 1HE LYS 32 1HE LYS 32 -7.905 -5.306 -2.223 227 2HE LYS 32 2HE LYS 32 -6.626 -5.884 -3.290 228 1HZ LYS 32 1HZ LYS 32 -8.415 -7.872 -2.107 229 2HZ LYS 32 2HZ LYS 32 -7.666 -7.860 -3.623 230 3HZ LYS 32 3HZ LYS 32 -9.033 -6.903 -3.349 231 H TYR 33 H TYR 33 -2.384 -9.649 0.485 232 HA TYR 33 HA TYR 33 -0.655 -8.274 2.432 233 1HB TYR 33 1HB TYR 33 -2.338 -10.763 2.784 234 2HB TYR 33 2HB TYR 33 -1.314 -10.045 4.022 235 HD1 TYR 33 1HD TYR 33 -2.208 -8.473 5.483 236 HD2 TYR 33 2HD TYR 33 -4.198 -9.240 1.801 237 HE1 TYR 33 1HE TYR 33 -4.073 -7.038 6.199 238 HE2 TYR 33 2HE TYR 33 -6.068 -7.806 2.506 239 HH TYR 33 HH TYR 33 -6.571 -6.848 5.633 240 HA PRO 34 HA PRO 34 2.200 -11.107 0.204 241 1HB PRO 34 1HB PRO 34 4.342 -9.453 0.423 242 2HB PRO 34 2HB PRO 34 3.145 -9.309 -0.870 243 1HG PRO 34 1HG PRO 34 3.384 -7.748 1.673 244 2HG PRO 34 2HG PRO 34 3.023 -7.171 0.036 245 1HD PRO 34 1HD PRO 34 1.100 -7.544 1.905 246 2HD PRO 34 2HD PRO 34 0.806 -7.786 0.171 247 H ASP 35 H ASP 35 4.388 -11.906 0.938 248 HA ASP 35 HA ASP 35 4.640 -11.828 3.869 249 1HB ASP 35 1HB ASP 35 3.569 -13.964 2.761 250 2HB ASP 35 2HB ASP 35 5.245 -14.353 2.382 251 H GLU 36 H GLU 36 6.799 -12.684 4.605 252 HA GLU 36 HA GLU 36 8.886 -11.190 3.831 253 1HB GLU 36 1HB GLU 36 9.044 -12.661 5.742 254 2HB GLU 36 2HB GLU 36 8.996 -14.080 4.706 255 1HG GLU 36 1HG GLU 36 11.139 -13.075 3.654 256 2HG GLU 36 2HG GLU 36 11.217 -12.135 5.143 257 H LYS 37 H LYS 37 8.007 -14.293 2.359 258 HA LYS 37 HA LYS 37 10.053 -14.764 0.645 259 1HB LYS 37 1HB LYS 37 7.098 -15.122 0.382 260 2HB LYS 37 2HB LYS 37 8.114 -15.437 -1.019 261 1HG LYS 37 1HG LYS 37 8.539 -16.722 1.667 262 2HG LYS 37 2HG LYS 37 7.575 -17.438 0.373 263 1HD LYS 37 1HD LYS 37 9.676 -17.114 -1.080 264 2HD LYS 37 2HD LYS 37 10.527 -16.903 0.452 265 1HE LYS 37 1HE LYS 37 8.763 -19.278 -0.056 266 2HE LYS 37 2HE LYS 37 10.448 -19.254 -0.576 267 1HZ LYS 37 1HZ LYS 37 11.190 -19.092 1.623 268 2HZ LYS 37 2HZ LYS 37 9.963 -20.254 1.678 269 3HZ LYS 37 3HZ LYS 37 9.661 -18.679 2.218 270 H ARG 38 H ARG 38 7.275 -12.658 -0.113 271 HA ARG 38 HA ARG 38 8.382 -11.731 -2.560 272 1HB ARG 38 1HB ARG 38 5.911 -11.719 -1.692 273 2HB ARG 38 2HB ARG 38 6.356 -10.160 -1.010 274 1HG ARG 38 1HG ARG 38 6.684 -9.197 -3.099 275 2HG ARG 38 2HG ARG 38 6.843 -10.762 -3.900 276 1HD ARG 38 1HD ARG 38 4.276 -10.088 -2.547 277 2HD ARG 38 2HD ARG 38 4.637 -9.345 -4.104 278 HE ARG 38 HE ARG 38 3.795 -12.006 -3.667 279 1HH1 ARG 38 2HH1 ARG 38 5.966 -10.115 -5.623 280 2HH1 ARG 38 1HH1 ARG 38 5.938 -11.221 -6.956 281 1HH2 ARG 38 2HH2 ARG 38 3.749 -13.471 -5.415 282 2HH2 ARG 38 1HH2 ARG 38 4.676 -13.129 -6.837 283 H LEU 39 H LEU 39 8.114 -10.277 0.674 284 HA LEU 39 HA LEU 39 9.149 -7.798 0.280 285 1HB LEU 39 1HB LEU 39 9.493 -9.749 2.521 286 2HB LEU 39 2HB LEU 39 10.307 -8.186 2.572 287 HG LEU 39 HG LEU 39 8.195 -8.228 3.848 288 1HD1 LEU 39 1HD1 LEU 39 7.214 -6.325 2.064 289 2HD1 LEU 39 2HD1 LEU 39 8.959 -6.344 1.806 290 3HD1 LEU 39 3HD1 LEU 39 8.310 -6.053 3.420 291 1HD2 LEU 39 1HD2 LEU 39 6.073 -8.192 2.503 292 2HD2 LEU 39 2HD2 LEU 39 6.868 -9.762 2.612 293 3HD2 LEU 39 3HD2 LEU 39 7.012 -8.801 1.139 294 H LYS 40 H LYS 40 10.959 -10.821 0.463 295 HA LYS 40 HA LYS 40 13.548 -9.914 0.597 296 1HB LYS 40 1HB LYS 40 12.293 -12.266 -0.770 297 2HB LYS 40 2HB LYS 40 14.011 -11.956 -0.977 298 1HG LYS 40 1HG LYS 40 14.456 -12.274 1.303 299 2HG LYS 40 2HG LYS 40 12.750 -12.148 1.738 300 1HD LYS 40 1HD LYS 40 12.301 -14.246 0.549 301 2HD LYS 40 2HD LYS 40 14.012 -14.373 0.134 302 1HE LYS 40 1HE LYS 40 14.634 -14.876 2.292 303 2HE LYS 40 2HE LYS 40 13.233 -14.071 2.997 304 1HZ LYS 40 1HZ LYS 40 12.361 -16.213 1.398 305 2HZ LYS 40 2HZ LYS 40 12.181 -16.001 3.066 306 3HZ LYS 40 3HZ LYS 40 13.551 -16.783 2.456 307 H GLY 41 H GLY 41 11.564 -10.302 -2.331 308 1HA GLY 41 1HA GLY 41 13.520 -9.456 -4.168 309 2HA GLY 41 2HA GLY 41 11.784 -9.418 -4.438 310 H LEU 42 H LEU 42 10.655 -7.578 -3.184 311 HA LEU 42 HA LEU 42 11.354 -5.155 -4.223 312 1HB LEU 42 1HB LEU 42 9.937 -5.747 -1.633 313 2HB LEU 42 2HB LEU 42 10.030 -4.140 -2.350 314 HG LEU 42 HG LEU 42 8.867 -6.423 -3.900 315 1HD1 LEU 42 1HD1 LEU 42 6.743 -4.989 -2.799 316 2HD1 LEU 42 2HD1 LEU 42 7.818 -5.343 -1.448 317 3HD1 LEU 42 3HD1 LEU 42 7.203 -6.656 -2.452 318 1HD2 LEU 42 1HD2 LEU 42 7.443 -4.224 -4.507 319 2HD2 LEU 42 2HD2 LEU 42 8.920 -4.693 -5.349 320 3HD2 LEU 42 3HD2 LEU 42 8.981 -3.481 -4.069 321 H SER 43 H SER 43 12.328 -6.465 -1.077 322 HA SER 43 HA SER 43 13.559 -4.407 0.145 323 1HB SER 43 1HB SER 43 13.540 -6.762 0.967 324 2HB SER 43 2HB SER 43 14.840 -7.133 -0.166 325 HG SER 43 HG SER 43 15.907 -5.242 0.977 326 H LYS 44 H LYS 44 14.832 -6.188 -2.623 327 HA LYS 44 HA LYS 44 17.237 -4.560 -2.692 328 1HB LYS 44 1HB LYS 44 17.376 -6.958 -3.220 329 2HB LYS 44 2HB LYS 44 16.272 -6.726 -4.570 330 1HG LYS 44 1HG LYS 44 18.402 -6.809 -5.529 331 2HG LYS 44 2HG LYS 44 17.987 -5.094 -5.492 332 1HD LYS 44 1HD LYS 44 19.213 -5.212 -3.153 333 2HD LYS 44 2HD LYS 44 20.002 -6.602 -3.902 334 1HE LYS 44 1HE LYS 44 19.825 -4.024 -5.398 335 2HE LYS 44 2HE LYS 44 21.033 -4.207 -4.127 336 1HZ LYS 44 1HZ LYS 44 21.972 -4.813 -6.238 337 2HZ LYS 44 2HZ LYS 44 20.732 -5.926 -6.529 338 3HZ LYS 44 3HZ LYS 44 21.839 -6.202 -5.281 339 H GLN 45 H GLN 45 14.268 -5.010 -4.549 340 HA GLN 45 HA GLN 45 14.824 -3.438 -6.757 341 1HB GLN 45 1HB GLN 45 12.774 -4.836 -6.400 342 2HB GLN 45 2HB GLN 45 12.159 -3.574 -5.340 343 1HG GLN 45 1HG GLN 45 12.123 -1.999 -7.165 344 2HG GLN 45 2HG GLN 45 12.862 -3.185 -8.240 345 1HE2 GLN 45 1HE2 GLN 45 11.456 -3.983 -9.611 346 2HE2 GLN 45 2HE2 GLN 45 9.800 -4.348 -9.286 347 H LEU 46 H LEU 46 13.105 -2.369 -3.817 348 HA LEU 46 HA LEU 46 13.751 0.402 -4.511 349 1HB LEU 46 1HB LEU 46 11.869 -0.724 -2.443 350 2HB LEU 46 2HB LEU 46 12.115 0.991 -2.764 351 HG LEU 46 HG LEU 46 11.228 -0.766 -5.002 352 1HD1 LEU 46 1HD1 LEU 46 9.097 0.438 -3.355 353 2HD1 LEU 46 2HD1 LEU 46 9.869 -1.007 -2.702 354 3HD1 LEU 46 3HD1 LEU 46 9.107 -1.057 -4.292 355 1HD2 LEU 46 1HD2 LEU 46 11.631 1.978 -4.585 356 2HD2 LEU 46 2HD2 LEU 46 9.885 1.750 -4.683 357 3HD2 LEU 46 3HD2 LEU 46 10.923 1.194 -5.997 358 H ASP 47 H ASP 47 15.719 -1.498 -3.423 359 HA ASP 47 HA ASP 47 17.175 -1.764 -1.645 360 1HB ASP 47 1HB ASP 47 17.156 1.077 -2.534 361 2HB ASP 47 2HB ASP 47 18.084 0.685 -1.089 362 H TRP 48 H TRP 48 14.572 -1.831 -0.653 363 HA TRP 48 HA TRP 48 14.718 -0.213 1.798 364 1HB TRP 48 1HB TRP 48 12.464 -1.343 0.209 365 2HB TRP 48 2HB TRP 48 12.249 -1.199 1.951 366 HD1 TRP 48 HD TRP 48 14.342 1.502 0.358 367 HE1 TRP 48 1HE TRP 48 13.003 3.699 0.296 368 HE3 TRP 48 3HE TRP 48 9.753 -0.308 1.700 369 HZ2 TRP 48 2HZ TRP 48 10.352 4.552 0.757 370 HZ3 TRP 48 3HZ TRP 48 7.868 1.265 1.867 371 HH2 TRP 48 HH TRP 48 8.163 3.644 1.405 372 H SER 49 H SER 49 13.448 -1.465 3.659 373 HA SER 49 HA SER 49 14.865 -4.021 3.958 374 1HB SER 49 1HB SER 49 13.742 -2.108 6.016 375 2HB SER 49 2HB SER 49 14.429 -3.683 6.412 376 HG SER 49 HG SER 49 16.350 -2.869 6.193 377 H VAL 50 H VAL 50 13.804 -5.893 4.327 378 HA VAL 50 HA VAL 50 11.288 -6.401 3.469 379 HB VAL 50 HB VAL 50 12.736 -8.228 4.006 380 1HG1 VAL 50 1HG1 VAL 50 13.997 -8.214 5.831 381 2HG1 VAL 50 2HG1 VAL 50 13.116 -6.813 6.444 382 3HG1 VAL 50 3HG1 VAL 50 12.558 -8.443 6.824 383 1HG2 VAL 50 1HG2 VAL 50 11.079 -9.644 4.532 384 2HG2 VAL 50 2HG2 VAL 50 10.747 -8.839 6.065 385 3HG2 VAL 50 3HG2 VAL 50 10.065 -8.201 4.569 386 H ARG 51 H ARG 51 12.195 -5.141 6.609 387 HA ARG 51 HA ARG 51 9.512 -5.379 7.669 388 1HB ARG 51 1HB ARG 51 12.155 -4.494 8.706 389 2HB ARG 51 2HB ARG 51 10.723 -3.832 9.482 390 1HG ARG 51 1HG ARG 51 10.994 -6.780 9.072 391 2HG ARG 51 2HG ARG 51 11.795 -5.980 10.426 392 1HD ARG 51 1HD ARG 51 8.867 -5.616 9.860 393 2HD ARG 51 2HD ARG 51 9.470 -6.953 10.839 394 HE ARG 51 HE ARG 51 9.212 -4.225 11.634 395 1HH1 ARG 51 2HH1 ARG 51 11.083 -7.122 12.104 396 2HH1 ARG 51 1HH1 ARG 51 11.589 -6.692 13.705 397 1HH2 ARG 51 2HH2 ARG 51 9.870 -3.647 13.740 398 2HH2 ARG 51 1HH2 ARG 51 10.897 -4.716 14.635 399 H LYS 52 H LYS 52 11.680 -2.786 6.598 400 HA LYS 52 HA LYS 52 10.034 -0.610 7.184 401 1HB LYS 52 1HB LYS 52 12.447 -0.530 6.467 402 2HB LYS 52 2HB LYS 52 11.902 -0.816 4.819 403 1HG LYS 52 1HG LYS 52 10.536 1.255 4.975 404 2HG LYS 52 2HG LYS 52 11.265 1.559 6.554 405 1HD LYS 52 1HD LYS 52 13.420 1.818 5.613 406 2HD LYS 52 2HD LYS 52 12.903 1.154 4.062 407 1HE LYS 52 1HE LYS 52 13.021 3.471 3.716 408 2HE LYS 52 2HE LYS 52 11.305 3.135 3.936 409 1HZ LYS 52 1HZ LYS 52 12.612 5.051 5.237 410 2HZ LYS 52 2HZ LYS 52 12.781 3.787 6.348 411 3HZ LYS 52 3HZ LYS 52 11.239 4.278 5.855 412 H ILE 53 H ILE 53 10.113 -2.737 4.375 413 HA ILE 53 HA ILE 53 8.316 -1.258 2.772 414 HB ILE 53 HB ILE 53 8.769 -4.242 2.709 415 1HG1 ILE 53 1HG1 ILE 53 10.211 -2.151 1.079 416 2HG1 ILE 53 2HG1 ILE 53 10.857 -2.793 2.585 417 1HG2 ILE 53 1HG2 ILE 53 6.889 -3.732 1.388 418 2HG2 ILE 53 2HG2 ILE 53 7.640 -2.275 0.740 419 3HG2 ILE 53 3HG2 ILE 53 8.234 -3.862 0.256 420 1HD1 ILE 53 1HD1 ILE 53 10.055 -4.675 0.422 421 2HD1 ILE 53 2HD1 ILE 53 11.583 -3.800 0.302 422 3HD1 ILE 53 3HD1 ILE 53 11.277 -4.857 1.681 423 H GLN 54 H GLN 54 7.772 -4.213 4.700 424 HA GLN 54 HA GLN 54 5.173 -4.716 4.410 425 1HB GLN 54 1HB GLN 54 6.878 -4.690 6.859 426 2HB GLN 54 2HB GLN 54 5.155 -4.987 7.043 427 1HG GLN 54 1HG GLN 54 5.535 -6.759 5.181 428 2HG GLN 54 2HG GLN 54 7.224 -6.638 5.672 429 1HE2 GLN 54 1HE2 GLN 54 6.940 -8.897 6.243 430 2HE2 GLN 54 2HE2 GLN 54 6.270 -9.298 7.784 431 H CYS 55 H CYS 55 6.387 -2.144 6.551 432 HA CYS 55 HA CYS 55 4.047 -1.170 7.570 433 1HB CYS 55 1HB CYS 55 6.454 -0.354 7.950 434 2HB CYS 55 2HB CYS 55 6.191 0.687 6.556 435 HG CYS 55 HG CYS 55 5.160 1.049 9.696 436 H TRP 56 H TRP 56 5.508 -0.276 4.454 437 HA TRP 56 HA TRP 56 3.702 1.618 3.604 438 1HB TRP 56 1HB TRP 56 5.779 0.962 2.398 439 2HB TRP 56 2HB TRP 56 4.967 -0.506 1.860 440 HD1 TRP 56 HD TRP 56 5.191 3.218 1.160 441 HE1 TRP 56 1HE TRP 56 3.884 3.749 -0.993 442 HE3 TRP 56 3HE TRP 56 2.913 -1.304 0.457 443 HZ2 TRP 56 2HZ TRP 56 2.120 2.427 -2.755 444 HZ3 TRP 56 3HZ TRP 56 1.431 -1.589 -1.487 445 HH2 TRP 56 HH TRP 56 1.044 0.240 -3.058 446 H PHE 57 H PHE 57 3.526 -1.883 2.935 447 HA PHE 57 HA PHE 57 1.099 -1.917 1.610 448 1HB PHE 57 1HB PHE 57 2.613 -3.915 3.227 449 2HB PHE 57 2HB PHE 57 0.950 -4.293 2.790 450 HD1 PHE 57 1HD PHE 57 4.338 -3.734 1.536 451 HD2 PHE 57 2HD PHE 57 0.327 -4.711 0.500 452 HE1 PHE 57 1HE PHE 57 5.098 -4.483 -0.681 453 HE2 PHE 57 2HE PHE 57 1.080 -5.462 -1.719 454 HZ PHE 57 HZ PHE 57 3.468 -5.350 -2.311 455 H ARG 58 H ARG 58 1.726 -2.104 5.092 456 HA ARG 58 HA ARG 58 -0.900 -2.539 5.943 457 1HB ARG 58 1HB ARG 58 1.516 -1.310 7.227 458 2HB ARG 58 2HB ARG 58 -0.032 -1.291 8.062 459 1HG ARG 58 1HG ARG 58 0.027 -3.867 7.457 460 2HG ARG 58 2HG ARG 58 1.765 -3.563 7.441 461 1HD ARG 58 1HD ARG 58 1.809 -2.971 9.686 462 2HD ARG 58 2HD ARG 58 0.084 -2.610 9.724 463 HE ARG 58 HE ARG 58 0.261 -5.300 9.191 464 1HH1 ARG 58 2HH1 ARG 58 1.323 -3.162 11.726 465 2HH1 ARG 58 1HH1 ARG 58 1.232 -4.372 12.963 466 1HH2 ARG 58 2HH2 ARG 58 0.137 -6.901 10.811 467 2HH2 ARG 58 1HH2 ARG 58 0.558 -6.498 12.441 468 H HIS 59 H HIS 59 0.830 0.457 5.234 469 HA HIS 59 HA HIS 59 -1.191 2.218 6.141 470 1HB HIS 59 1HB HIS 59 1.297 2.700 5.583 471 2HB HIS 59 2HB HIS 59 0.725 2.908 3.930 472 HD1 HIS 59 1HD HIS 59 1.388 4.803 6.860 473 HD2 HIS 59 2HD HIS 59 -1.544 4.919 3.919 474 HE1 HIS 59 1HE HIS 59 0.394 7.109 6.993 475 HE2 HIS 59 2HE HIS 59 -1.436 7.128 5.261 476 H ARG 60 H ARG 60 -0.644 0.538 3.126 477 HA ARG 60 HA ARG 60 -2.411 2.037 1.512 478 1HB ARG 60 1HB ARG 60 -1.099 -0.626 1.338 479 2HB ARG 60 2HB ARG 60 -2.488 -0.342 0.298 480 1HG ARG 60 1HG ARG 60 -0.177 1.565 0.403 481 2HG ARG 60 2HG ARG 60 -0.181 0.152 -0.654 482 1HD ARG 60 1HD ARG 60 -2.221 2.374 -0.643 483 2HD ARG 60 2HD ARG 60 -0.948 2.140 -1.840 484 HE ARG 60 HE ARG 60 -2.156 0.386 -2.761 485 1HH1 ARG 60 2HH1 ARG 60 -3.683 1.560 0.139 486 2HH1 ARG 60 1HH1 ARG 60 -5.172 0.721 -0.150 487 1HH2 ARG 60 2HH2 ARG 60 -4.110 -0.723 -3.152 488 2HH2 ARG 60 1HH2 ARG 60 -5.413 -0.578 -2.021 489 H ARG 61 H ARG 61 -2.869 -1.083 3.176 490 HA ARG 61 HA ARG 61 -5.484 -1.588 2.524 491 1HB ARG 61 1HB ARG 61 -4.364 -2.041 5.289 492 2HB ARG 61 2HB ARG 61 -5.613 -2.969 4.470 493 1HG ARG 61 1HG ARG 61 -3.870 -3.623 2.780 494 2HG ARG 61 2HG ARG 61 -2.674 -2.891 3.852 495 1HD ARG 61 1HD ARG 61 -4.602 -4.972 4.832 496 2HD ARG 61 2HD ARG 61 -3.088 -5.417 4.044 497 HE ARG 61 HE ARG 61 -1.930 -4.709 5.911 498 1HH1 ARG 61 2HH1 ARG 61 -5.278 -3.784 6.152 499 2HH1 ARG 61 1HH1 ARG 61 -5.168 -3.331 7.820 500 1HH2 ARG 61 2HH2 ARG 61 -1.773 -4.117 8.108 501 2HH2 ARG 61 1HH2 ARG 61 -3.174 -3.520 8.932 502 H ASN 62 H ASN 62 -4.279 0.476 5.142 503 HA ASN 62 HA ASN 62 -6.850 1.137 6.157 504 1HB ASN 62 1HB ASN 62 -4.370 2.828 6.458 505 2HB ASN 62 2HB ASN 62 -5.732 2.687 7.566 506 1HD2 ASN 62 1HD2 ASN 62 -3.220 2.405 8.516 507 2HD2 ASN 62 2HD2 ASN 62 -2.919 0.759 8.944 508 H GLN 63 H GLN 63 -4.580 2.829 4.011 509 HA GLN 63 HA GLN 63 -6.041 5.170 3.646 510 1HB GLN 63 1HB GLN 63 -3.652 4.498 2.842 511 2HB GLN 63 2HB GLN 63 -4.484 3.948 1.394 512 1HG GLN 63 1HG GLN 63 -5.044 6.692 2.381 513 2HG GLN 63 2HG GLN 63 -3.499 6.380 1.590 514 1HE2 GLN 63 1HE2 GLN 63 -3.427 6.336 -0.560 515 2HE2 GLN 63 2HE2 GLN 63 -4.802 6.380 -1.605 516 H ASP 64 H ASP 64 -6.367 2.023 2.136 517 HA ASP 64 HA ASP 64 -8.003 2.691 -0.020 518 1HB ASP 64 1HB ASP 64 -6.936 0.440 0.495 519 2HB ASP 64 2HB ASP 64 -8.279 0.160 1.599 520 H LYS 65 H LYS 65 -8.980 1.583 3.225 521 HA LYS 65 HA LYS 65 -11.060 1.576 4.216 522 1HB LYS 65 1HB LYS 65 -11.891 3.853 4.597 523 2HB LYS 65 2HB LYS 65 -10.145 3.766 4.791 524 1HG LYS 65 1HG LYS 65 -9.933 4.628 2.448 525 2HG LYS 65 2HG LYS 65 -11.677 4.901 2.466 526 1HD LYS 65 1HD LYS 65 -9.748 6.077 4.464 527 2HD LYS 65 2HD LYS 65 -10.329 6.920 3.026 528 1HE LYS 65 1HE LYS 65 -11.778 7.685 4.656 529 2HE LYS 65 2HE LYS 65 -12.683 6.343 3.959 530 1HZ LYS 65 1HZ LYS 65 -12.617 5.227 5.869 531 2HZ LYS 65 2HZ LYS 65 -12.143 6.680 6.593 532 3HZ LYS 65 3HZ LYS 65 -10.976 5.548 6.125 533 HA PRO 66 HA PRO 66 -13.350 1.550 0.081 534 1HB PRO 66 1HB PRO 66 -13.680 -1.139 -0.088 535 2HB PRO 66 2HB PRO 66 -12.276 -0.300 -0.759 536 1HG PRO 66 1HG PRO 66 -12.536 -1.786 1.826 537 2HG PRO 66 2HG PRO 66 -11.209 -1.810 0.650 538 1HD PRO 66 1HD PRO 66 -11.107 -0.356 2.932 539 2HD PRO 66 2HD PRO 66 -10.313 0.164 1.432 540 H SER 67 H SER 67 -13.737 0.257 3.257 541 HA SER 67 HA SER 67 -16.507 -0.468 2.941 542 1HB SER 67 1HB SER 67 -14.804 -0.161 5.425 543 2HB SER 67 2HB SER 67 -16.442 -0.812 5.400 544 HG SER 67 HG SER 67 -14.405 -1.910 3.787 545 H GLY 68 H GLY 68 -18.230 0.517 4.251 546 1HA GLY 68 1HA GLY 68 -18.111 2.953 5.550 547 2HA GLY 68 2HA GLY 68 -18.313 3.336 3.847 548 HA PRO 69 HA PRO 69 -22.355 1.942 6.078 549 1HB PRO 69 1HB PRO 69 -23.236 4.287 7.123 550 2HB PRO 69 2HB PRO 69 -22.246 3.141 8.034 551 1HG PRO 69 1HG PRO 69 -21.422 5.642 6.609 552 2HG PRO 69 2HG PRO 69 -20.921 5.045 8.202 553 1HD PRO 69 1HD PRO 69 -19.384 4.763 5.990 554 2HD PRO 69 2HD PRO 69 -19.389 3.573 7.307 555 H SER 70 H SER 70 -23.207 1.699 4.029 556 HA SER 70 HA SER 70 -24.085 2.318 1.979 557 1HB SER 70 1HB SER 70 -26.267 3.256 2.253 558 2HB SER 70 2HB SER 70 -25.949 2.294 3.696 559 HG SER 70 HG SER 70 -25.596 5.104 3.489 560 H SER 71 H SER 71 -21.804 3.772 2.269 561 HA SER 71 HA SER 71 -22.523 6.539 1.602 562 1HB SER 71 1HB SER 71 -20.697 5.799 3.367 563 2HB SER 71 2HB SER 71 -19.684 5.658 1.930 564 HG SER 71 HG SER 71 -19.750 7.774 1.650 565 H GLY 72 H GLY 72 -23.116 6.440 -0.527 566 1HA GLY 72 1HA GLY 72 -22.104 4.907 -2.561 567 2HA GLY 72 2HA GLY 72 -22.736 6.530 -2.795 Start of MODEL 13 1 1H GLY 1 H GLY 1 23.355 17.480 2.663 2 1HA GLY 1 1HA GLY 1 20.425 17.243 2.443 3 2HA GLY 1 2HA GLY 1 21.389 17.653 1.032 4 H SER 2 H SER 2 20.900 15.160 3.497 5 HA SER 2 HA SER 2 22.356 13.189 1.971 6 1HB SER 2 1HB SER 2 22.144 13.327 4.546 7 2HB SER 2 2HB SER 2 20.565 12.576 4.313 8 HG SER 2 HG SER 2 22.470 11.152 4.670 9 H SER 3 H SER 3 21.263 11.018 1.577 10 HA SER 3 HA SER 3 18.609 11.496 0.388 11 1HB SER 3 1HB SER 3 20.850 9.680 -0.521 12 2HB SER 3 2HB SER 3 19.225 9.647 -1.206 13 HG SER 3 HG SER 3 19.572 11.521 -2.171 14 H GLY 4 H GLY 4 17.483 10.861 2.261 15 1HA GLY 4 1HA GLY 4 16.219 8.673 2.621 16 2HA GLY 4 2HA GLY 4 17.803 8.031 3.027 17 H SER 5 H SER 5 18.954 9.725 4.657 18 HA SER 5 HA SER 5 17.442 9.481 7.066 19 1HB SER 5 1HB SER 5 19.394 10.495 8.151 20 2HB SER 5 2HB SER 5 19.896 9.233 7.026 21 HG SER 5 HG SER 5 20.708 10.714 5.692 22 H SER 6 H SER 6 15.997 10.853 7.845 23 HA SER 6 HA SER 6 16.339 13.656 7.903 24 1HB SER 6 1HB SER 6 14.705 14.413 6.339 25 2HB SER 6 2HB SER 6 15.733 13.278 5.464 26 HG SER 6 HG SER 6 13.288 13.107 5.347 27 H GLY 7 H GLY 7 14.778 14.696 9.176 28 1HA GLY 7 1HA GLY 7 12.540 13.087 10.162 29 2HA GLY 7 2HA GLY 7 13.733 13.624 11.336 30 H GLY 8 H GLY 8 10.770 14.256 10.625 31 1HA GLY 8 1HA GLY 8 10.770 16.888 11.622 32 2HA GLY 8 2HA GLY 8 10.586 16.950 9.875 33 H ILE 9 H ILE 9 8.847 17.233 12.515 34 HA ILE 9 HA ILE 9 6.604 15.552 11.664 35 HB ILE 9 HB ILE 9 6.942 17.209 14.166 36 1HG1 ILE 9 1HG1 ILE 9 6.937 14.203 13.851 37 2HG1 ILE 9 2HG1 ILE 9 8.404 15.172 13.941 38 1HG2 ILE 9 1HG2 ILE 9 4.894 15.143 14.175 39 2HG2 ILE 9 2HG2 ILE 9 4.808 16.826 14.694 40 3HG2 ILE 9 3HG2 ILE 9 4.584 16.416 12.994 41 1HD1 ILE 9 1HD1 ILE 9 7.646 14.057 16.072 42 2HD1 ILE 9 2HD1 ILE 9 7.975 15.787 16.169 43 3HD1 ILE 9 3HD1 ILE 9 6.311 15.209 16.090 44 H LYS 10 H LYS 10 5.864 16.671 9.866 45 HA LYS 10 HA LYS 10 4.786 19.362 10.394 46 1HB LYS 10 1HB LYS 10 6.037 18.147 7.971 47 2HB LYS 10 2HB LYS 10 4.788 19.364 7.747 48 1HG LYS 10 1HG LYS 10 6.623 20.701 7.757 49 2HG LYS 10 2HG LYS 10 6.264 20.693 9.486 50 1HD LYS 10 1HD LYS 10 7.866 18.772 9.708 51 2HD LYS 10 2HD LYS 10 8.325 19.046 8.026 52 1HE LYS 10 1HE LYS 10 9.270 21.125 8.499 53 2HE LYS 10 2HE LYS 10 8.408 21.274 10.029 54 1HZ LYS 10 1HZ LYS 10 9.862 19.074 10.456 55 2HZ LYS 10 2HZ LYS 10 10.364 20.632 10.882 56 3HZ LYS 10 3HZ LYS 10 10.905 19.934 9.439 57 H ASP 11 H ASP 11 2.648 19.552 10.408 58 HA ASP 11 HA ASP 11 0.990 17.298 9.709 59 1HB ASP 11 1HB ASP 11 0.209 18.367 11.623 60 2HB ASP 11 2HB ASP 11 0.513 19.975 10.971 61 H SER 12 H SER 12 0.948 17.010 7.526 62 HA SER 12 HA SER 12 -0.589 18.934 6.000 63 1HB SER 12 1HB SER 12 2.314 18.450 5.549 64 2HB SER 12 2HB SER 12 1.285 18.590 4.124 65 HG SER 12 HG SER 12 0.734 20.633 4.717 66 HA PRO 13 HA PRO 13 -2.177 15.216 4.265 67 1HB PRO 13 1HB PRO 13 -3.287 16.230 2.005 68 2HB PRO 13 2HB PRO 13 -3.986 16.472 3.610 69 1HG PRO 13 1HG PRO 13 -2.280 18.322 1.989 70 2HG PRO 13 2HG PRO 13 -3.731 18.685 2.941 71 1HD PRO 13 1HD PRO 13 -1.229 19.182 3.851 72 2HD PRO 13 2HD PRO 13 -2.566 18.734 4.930 73 H VAL 14 H VAL 14 -0.275 14.078 3.773 74 HA VAL 14 HA VAL 14 1.481 14.609 1.672 75 HB VAL 14 HB VAL 14 1.985 12.121 1.770 76 1HG1 VAL 14 1HG1 VAL 14 2.095 13.876 4.209 77 2HG1 VAL 14 2HG1 VAL 14 2.882 12.298 4.136 78 3HG1 VAL 14 3HG1 VAL 14 3.360 13.577 3.018 79 1HG2 VAL 14 1HG2 VAL 14 1.009 10.832 3.561 80 2HG2 VAL 14 2HG2 VAL 14 0.040 12.213 4.075 81 3HG2 VAL 14 3HG2 VAL 14 -0.276 11.444 2.520 82 H ASN 15 H ASN 15 1.591 13.983 -0.452 83 HA ASN 15 HA ASN 15 -0.944 13.197 -1.664 84 1HB ASN 15 1HB ASN 15 1.627 14.273 -2.836 85 2HB ASN 15 2HB ASN 15 0.247 13.778 -3.813 86 1HD2 ASN 15 1HD2 ASN 15 1.449 16.382 -3.630 87 2HD2 ASN 15 2HD2 ASN 15 0.223 17.460 -3.065 88 H LYS 16 H LYS 16 2.484 12.244 -1.806 89 HA LYS 16 HA LYS 16 1.607 9.577 -2.706 90 1HB LYS 16 1HB LYS 16 3.930 9.395 -3.689 91 2HB LYS 16 2HB LYS 16 2.857 10.542 -4.479 92 1HG LYS 16 1HG LYS 16 4.640 11.554 -2.332 93 2HG LYS 16 2HG LYS 16 5.357 11.144 -3.892 94 1HD LYS 16 1HD LYS 16 3.867 12.664 -5.027 95 2HD LYS 16 2HD LYS 16 3.001 12.993 -3.524 96 1HE LYS 16 1HE LYS 16 5.908 13.619 -4.033 97 2HE LYS 16 2HE LYS 16 4.588 14.784 -4.127 98 1HZ LYS 16 1HZ LYS 16 5.967 13.786 -1.830 99 2HZ LYS 16 2HZ LYS 16 4.290 13.631 -1.674 100 3HZ LYS 16 3HZ LYS 16 4.974 15.147 -1.982 101 H VAL 17 H VAL 17 1.528 8.447 -0.834 102 HA VAL 17 HA VAL 17 2.789 8.630 1.501 103 HB VAL 17 HB VAL 17 1.382 6.798 1.382 104 1HG1 VAL 17 1HG1 VAL 17 0.961 5.781 -0.545 105 2HG1 VAL 17 2HG1 VAL 17 2.347 6.597 -1.271 106 3HG1 VAL 17 3HG1 VAL 17 2.551 5.019 -0.509 107 1HG2 VAL 17 1HG2 VAL 17 3.915 6.375 2.265 108 2HG2 VAL 17 2HG2 VAL 17 2.586 5.232 2.457 109 3HG2 VAL 17 3HG2 VAL 17 3.724 5.046 1.122 110 H GLU 18 H GLU 18 4.215 6.542 -1.018 111 HA GLU 18 HA GLU 18 6.853 7.611 -0.477 112 1HB GLU 18 1HB GLU 18 5.958 4.943 0.463 113 2HB GLU 18 2HB GLU 18 7.549 5.024 -0.280 114 1HG GLU 18 1HG GLU 18 8.432 6.267 1.406 115 2HG GLU 18 2HG GLU 18 6.894 7.034 1.797 116 HA PRO 19 HA PRO 19 7.624 6.601 -4.675 117 1HB PRO 19 1HB PRO 19 10.229 5.834 -4.647 118 2HB PRO 19 2HB PRO 19 9.719 7.511 -4.421 119 1HG PRO 19 1HG PRO 19 10.499 5.476 -2.369 120 2HG PRO 19 2HG PRO 19 10.937 7.191 -2.467 121 1HD PRO 19 1HD PRO 19 8.989 6.278 -0.823 122 2HD PRO 19 2HD PRO 19 8.929 7.886 -1.573 123 H ASN 20 H ASN 20 7.338 4.244 -2.406 124 HA ASN 20 HA ASN 20 8.258 2.012 -4.009 125 1HB ASN 20 1HB ASN 20 7.076 2.328 -1.278 126 2HB ASN 20 2HB ASN 20 7.012 0.750 -2.057 127 1HD2 ASN 20 1HD2 ASN 20 9.501 3.260 -2.148 128 2HD2 ASN 20 2HD2 ASN 20 10.764 2.276 -1.498 129 H ASP 21 H ASP 21 6.086 3.811 -4.959 130 HA ASP 21 HA ASP 21 3.546 2.849 -4.819 131 1HB ASP 21 1HB ASP 21 3.849 4.754 -6.153 132 2HB ASP 21 2HB ASP 21 5.092 3.983 -7.134 133 H THR 22 H THR 22 6.186 1.532 -6.768 134 HA THR 22 HA THR 22 5.102 -0.259 -8.410 135 HB THR 22 HB THR 22 7.387 -0.729 -6.501 136 HG1 THR 22 1HG THR 22 7.384 -0.382 -9.326 137 1HG2 THR 22 1HG2 THR 22 6.586 -2.488 -8.822 138 2HG2 THR 22 2HG2 THR 22 6.358 -2.899 -7.122 139 3HG2 THR 22 3HG2 THR 22 7.986 -2.700 -7.771 140 H LEU 23 H LEU 23 5.087 -0.544 -4.905 141 HA LEU 23 HA LEU 23 4.104 -3.189 -4.761 142 1HB LEU 23 1HB LEU 23 4.112 -0.864 -2.871 143 2HB LEU 23 2HB LEU 23 3.281 -2.362 -2.458 144 HG LEU 23 HG LEU 23 5.313 -3.584 -2.422 145 1HD1 LEU 23 1HD1 LEU 23 6.741 -1.131 -3.430 146 2HD1 LEU 23 2HD1 LEU 23 6.292 -2.507 -4.436 147 3HD1 LEU 23 3HD1 LEU 23 7.438 -2.720 -3.113 148 1HD2 LEU 23 1HD2 LEU 23 5.862 -2.794 -0.421 149 2HD2 LEU 23 2HD2 LEU 23 4.847 -1.390 -0.754 150 3HD2 LEU 23 3HD2 LEU 23 6.570 -1.342 -1.130 151 H GLU 24 H GLU 24 2.449 -0.043 -4.591 152 HA GLU 24 HA GLU 24 -0.103 -0.632 -4.089 153 1HB GLU 24 1HB GLU 24 0.363 1.601 -4.664 154 2HB GLU 24 2HB GLU 24 1.019 1.152 -6.232 155 1HG GLU 24 1HG GLU 24 -1.069 0.865 -7.174 156 2HG GLU 24 2HG GLU 24 -1.854 0.635 -5.613 157 H LYS 25 H LYS 25 1.617 -1.571 -6.986 158 HA LYS 25 HA LYS 25 -0.728 -2.547 -8.340 159 1HB LYS 25 1HB LYS 25 2.213 -2.562 -8.887 160 2HB LYS 25 2HB LYS 25 1.172 -3.661 -9.783 161 1HG LYS 25 1HG LYS 25 0.016 -1.920 -10.813 162 2HG LYS 25 2HG LYS 25 0.568 -0.731 -9.630 163 1HD LYS 25 1HD LYS 25 1.809 -0.311 -11.595 164 2HD LYS 25 2HD LYS 25 2.910 -1.156 -10.504 165 1HE LYS 25 1HE LYS 25 3.186 -2.122 -12.656 166 2HE LYS 25 2HE LYS 25 2.283 -3.283 -11.683 167 1HZ LYS 25 1HZ LYS 25 0.705 -1.392 -13.232 168 2HZ LYS 25 2HZ LYS 25 0.440 -3.036 -12.934 169 3HZ LYS 25 3HZ LYS 25 1.548 -2.560 -14.120 170 H VAL 26 H VAL 26 2.237 -4.262 -7.342 171 HA VAL 26 HA VAL 26 1.375 -6.834 -7.524 172 HB VAL 26 HB VAL 26 3.639 -5.757 -6.606 173 1HG1 VAL 26 1HG1 VAL 26 3.983 -6.142 -4.275 174 2HG1 VAL 26 2HG1 VAL 26 2.530 -5.154 -4.444 175 3HG1 VAL 26 3HG1 VAL 26 2.391 -6.880 -4.105 176 1HG2 VAL 26 1HG2 VAL 26 3.837 -8.264 -5.518 177 2HG2 VAL 26 2HG2 VAL 26 2.498 -8.445 -6.651 178 3HG2 VAL 26 3HG2 VAL 26 4.063 -7.868 -7.222 179 H PHE 27 H PHE 27 0.697 -4.563 -4.919 180 HA PHE 27 HA PHE 27 -0.358 -6.232 -3.000 181 1HB PHE 27 1HB PHE 27 -0.157 -3.974 -2.396 182 2HB PHE 27 2HB PHE 27 -1.042 -3.422 -3.815 183 HD1 PHE 27 1HD PHE 27 -1.278 -4.591 -0.398 184 HD2 PHE 27 2HD PHE 27 -3.495 -3.653 -3.908 185 HE1 PHE 27 1HE PHE 27 -3.343 -4.497 0.936 186 HE2 PHE 27 2HE PHE 27 -5.564 -3.556 -2.580 187 HZ PHE 27 HZ PHE 27 -5.490 -3.977 -0.155 188 H VAL 28 H VAL 28 -2.028 -4.804 -5.788 189 HA VAL 28 HA VAL 28 -4.310 -6.588 -5.271 190 HB VAL 28 HB VAL 28 -4.969 -4.271 -5.391 191 1HG1 VAL 28 1HG1 VAL 28 -3.282 -4.279 -7.846 192 2HG1 VAL 28 2HG1 VAL 28 -4.662 -3.184 -7.762 193 3HG1 VAL 28 3HG1 VAL 28 -3.383 -3.087 -6.551 194 1HG2 VAL 28 1HG2 VAL 28 -6.144 -6.267 -6.765 195 2HG2 VAL 28 2HG2 VAL 28 -6.805 -4.636 -6.656 196 3HG2 VAL 28 3HG2 VAL 28 -5.866 -5.114 -8.070 197 H SER 29 H SER 29 -1.567 -6.753 -6.894 198 HA SER 29 HA SER 29 -2.713 -7.782 -9.392 199 1HB SER 29 1HB SER 29 -0.660 -6.114 -9.173 200 2HB SER 29 2HB SER 29 0.237 -7.617 -8.956 201 HG SER 29 HG SER 29 0.134 -7.830 -11.032 202 H VAL 30 H VAL 30 -0.418 -8.685 -6.830 203 HA VAL 30 HA VAL 30 -0.756 -11.504 -7.614 204 HB VAL 30 HB VAL 30 1.345 -12.004 -6.675 205 1HG1 VAL 30 1HG1 VAL 30 1.382 -9.397 -8.164 206 2HG1 VAL 30 2HG1 VAL 30 2.870 -10.222 -7.693 207 3HG1 VAL 30 3HG1 VAL 30 1.721 -11.019 -8.768 208 1HG2 VAL 30 1HG2 VAL 30 2.666 -10.286 -5.413 209 2HG2 VAL 30 2HG2 VAL 30 1.212 -9.288 -5.376 210 3HG2 VAL 30 3HG2 VAL 30 1.221 -10.864 -4.585 211 H THR 31 H THR 31 -0.597 -9.340 -4.807 212 HA THR 31 HA THR 31 -2.672 -10.654 -3.428 213 HB THR 31 HB THR 31 -0.951 -12.414 -3.137 214 HG1 THR 31 1HG THR 31 -1.077 -12.300 -0.712 215 1HG2 THR 31 1HG2 THR 31 0.773 -10.263 -2.735 216 2HG2 THR 31 2HG2 THR 31 1.152 -11.973 -2.527 217 3HG2 THR 31 3HG2 THR 31 0.617 -11.014 -1.148 218 H LYS 32 H LYS 32 -3.347 -9.501 -1.645 219 HA LYS 32 HA LYS 32 -2.279 -6.848 -1.386 220 1HB LYS 32 1HB LYS 32 -4.506 -8.279 0.070 221 2HB LYS 32 2HB LYS 32 -4.095 -6.588 0.324 222 1HG LYS 32 1HG LYS 32 -4.582 -6.133 -2.041 223 2HG LYS 32 2HG LYS 32 -5.048 -7.823 -2.252 224 1HD LYS 32 1HD LYS 32 -6.729 -7.437 -0.387 225 2HD LYS 32 2HD LYS 32 -6.388 -5.715 -0.573 226 1HE LYS 32 1HE LYS 32 -7.120 -5.768 -2.866 227 2HE LYS 32 2HE LYS 32 -7.308 -7.520 -2.807 228 1HZ LYS 32 1HZ LYS 32 -9.218 -5.608 -2.223 229 2HZ LYS 32 2HZ LYS 32 -8.806 -6.305 -0.738 230 3HZ LYS 32 3HZ LYS 32 -9.346 -7.281 -2.010 231 H TYR 33 H TYR 33 -2.206 -9.812 0.485 232 HA TYR 33 HA TYR 33 -0.526 -8.461 2.492 233 1HB TYR 33 1HB TYR 33 -2.538 -10.650 2.690 234 2HB TYR 33 2HB TYR 33 -1.151 -10.711 3.772 235 HD1 TYR 33 1HD TYR 33 -1.511 -9.828 5.864 236 HD2 TYR 33 2HD TYR 33 -3.554 -8.112 2.549 237 HE1 TYR 33 1HE TYR 33 -2.618 -8.236 7.377 238 HE2 TYR 33 2HE TYR 33 -4.665 -6.515 4.053 239 HH TYR 33 HH TYR 33 -3.751 -5.637 6.805 240 HA PRO 34 HA PRO 34 2.336 -11.218 0.163 241 1HB PRO 34 1HB PRO 34 4.446 -9.518 0.328 242 2HB PRO 34 2HB PRO 34 3.215 -9.401 -0.935 243 1HG PRO 34 1HG PRO 34 3.480 -7.833 1.601 244 2HG PRO 34 2HG PRO 34 3.068 -7.265 -0.028 245 1HD PRO 34 1HD PRO 34 1.199 -7.678 1.887 246 2HD PRO 34 2HD PRO 34 0.869 -7.929 0.161 247 H ASP 35 H ASP 35 4.386 -12.168 0.862 248 HA ASP 35 HA ASP 35 4.753 -12.027 3.783 249 1HB ASP 35 1HB ASP 35 4.655 -14.396 1.942 250 2HB ASP 35 2HB ASP 35 5.565 -14.481 3.448 251 H GLU 36 H GLU 36 6.950 -12.935 4.449 252 HA GLU 36 HA GLU 36 8.997 -11.360 3.708 253 1HB GLU 36 1HB GLU 36 9.162 -12.948 5.552 254 2HB GLU 36 2HB GLU 36 9.219 -14.290 4.418 255 1HG GLU 36 1HG GLU 36 11.432 -14.083 4.843 256 2HG GLU 36 2HG GLU 36 11.303 -12.954 3.496 257 H LYS 37 H LYS 37 8.340 -14.530 2.225 258 HA LYS 37 HA LYS 37 10.299 -14.849 0.436 259 1HB LYS 37 1HB LYS 37 7.366 -15.311 0.253 260 2HB LYS 37 2HB LYS 37 8.299 -15.458 -1.230 261 1HG LYS 37 1HG LYS 37 9.830 -17.006 0.157 262 2HG LYS 37 2HG LYS 37 8.461 -17.090 1.269 263 1HD LYS 37 1HD LYS 37 7.037 -17.775 -0.673 264 2HD LYS 37 2HD LYS 37 8.508 -17.874 -1.643 265 1HE LYS 37 1HE LYS 37 9.408 -19.544 -0.095 266 2HE LYS 37 2HE LYS 37 7.937 -19.443 0.871 267 1HZ LYS 37 1HZ LYS 37 7.909 -21.346 -0.626 268 2HZ LYS 37 2HZ LYS 37 8.073 -20.323 -1.963 269 3HZ LYS 37 3HZ LYS 37 6.675 -20.255 -1.013 270 H ARG 38 H ARG 38 7.433 -12.855 -0.309 271 HA ARG 38 HA ARG 38 8.518 -11.799 -2.702 272 1HB ARG 38 1HB ARG 38 6.076 -11.896 -2.094 273 2HB ARG 38 2HB ARG 38 6.362 -10.559 -0.988 274 1HG ARG 38 1HG ARG 38 6.890 -9.084 -2.761 275 2HG ARG 38 2HG ARG 38 6.978 -10.408 -3.925 276 1HD ARG 38 1HD ARG 38 4.439 -9.910 -2.433 277 2HD ARG 38 2HD ARG 38 4.855 -8.891 -3.810 278 HE ARG 38 HE ARG 38 4.562 -10.712 -5.227 279 1HH1 ARG 38 2HH1 ARG 38 4.206 -11.642 -1.891 280 2HH1 ARG 38 1HH1 ARG 38 3.489 -13.176 -2.259 281 1HH2 ARG 38 2HH2 ARG 38 3.618 -12.728 -5.725 282 2HH2 ARG 38 1HH2 ARG 38 3.156 -13.793 -4.440 283 H LEU 39 H LEU 39 8.131 -10.383 0.544 284 HA LEU 39 HA LEU 39 9.129 -7.886 0.198 285 1HB LEU 39 1HB LEU 39 9.296 -9.844 2.422 286 2HB LEU 39 2HB LEU 39 10.301 -8.400 2.527 287 HG LEU 39 HG LEU 39 8.329 -7.939 3.744 288 1HD1 LEU 39 1HD1 LEU 39 9.162 -6.315 1.832 289 2HD1 LEU 39 2HD1 LEU 39 7.733 -5.954 2.800 290 3HD1 LEU 39 3HD1 LEU 39 7.554 -6.644 1.187 291 1HD2 LEU 39 1HD2 LEU 39 6.572 -8.561 1.403 292 2HD2 LEU 39 2HD2 LEU 39 6.158 -8.450 3.114 293 3HD2 LEU 39 3HD2 LEU 39 7.069 -9.837 2.515 294 H LYS 40 H LYS 40 10.986 -10.875 0.364 295 HA LYS 40 HA LYS 40 13.555 -9.948 0.615 296 1HB LYS 40 1HB LYS 40 12.533 -12.186 -1.139 297 2HB LYS 40 2HB LYS 40 14.232 -11.922 -0.770 298 1HG LYS 40 1HG LYS 40 12.241 -12.247 1.435 299 2HG LYS 40 2HG LYS 40 12.893 -13.656 0.595 300 1HD LYS 40 1HD LYS 40 15.194 -12.701 1.095 301 2HD LYS 40 2HD LYS 40 14.380 -11.583 2.191 302 1HE LYS 40 1HE LYS 40 13.322 -13.715 3.199 303 2HE LYS 40 2HE LYS 40 14.622 -14.565 2.365 304 1HZ LYS 40 1HZ LYS 40 16.150 -13.806 3.800 305 2HZ LYS 40 2HZ LYS 40 14.831 -13.562 4.830 306 3HZ LYS 40 3HZ LYS 40 15.449 -12.271 3.928 307 H GLY 41 H GLY 41 11.678 -10.232 -2.396 308 1HA GLY 41 1HA GLY 41 13.712 -9.225 -4.088 309 2HA GLY 41 2HA GLY 41 11.999 -9.303 -4.472 310 H LEU 42 H LEU 42 10.688 -7.605 -3.106 311 HA LEU 42 HA LEU 42 11.218 -5.100 -4.068 312 1HB LEU 42 1HB LEU 42 9.762 -5.947 -1.578 313 2HB LEU 42 2HB LEU 42 9.810 -4.272 -2.123 314 HG LEU 42 HG LEU 42 8.710 -6.539 -3.777 315 1HD1 LEU 42 1HD1 LEU 42 7.077 -4.514 -2.282 316 2HD1 LEU 42 2HD1 LEU 42 7.506 -6.072 -1.577 317 3HD1 LEU 42 3HD1 LEU 42 6.548 -6.009 -3.056 318 1HD2 LEU 42 1HD2 LEU 42 7.518 -4.313 -4.672 319 2HD2 LEU 42 2HD2 LEU 42 9.035 -4.926 -5.330 320 3HD2 LEU 42 3HD2 LEU 42 9.052 -3.626 -4.137 321 H SER 43 H SER 43 12.451 -6.585 -1.139 322 HA SER 43 HA SER 43 13.448 -4.390 0.210 323 1HB SER 43 1HB SER 43 13.515 -6.601 1.198 324 2HB SER 43 2HB SER 43 14.634 -7.164 -0.044 325 HG SER 43 HG SER 43 15.330 -4.954 1.540 326 H LYS 44 H LYS 44 14.915 -6.208 -2.448 327 HA LYS 44 HA LYS 44 17.240 -4.471 -2.481 328 1HB LYS 44 1HB LYS 44 16.418 -6.966 -3.891 329 2HB LYS 44 2HB LYS 44 17.609 -5.933 -4.670 330 1HG LYS 44 1HG LYS 44 19.152 -6.208 -2.926 331 2HG LYS 44 2HG LYS 44 17.926 -6.856 -1.833 332 1HD LYS 44 1HD LYS 44 18.957 -8.800 -2.457 333 2HD LYS 44 2HD LYS 44 17.727 -8.698 -3.719 334 1HE LYS 44 1HE LYS 44 20.434 -7.476 -4.111 335 2HE LYS 44 2HE LYS 44 20.176 -9.198 -4.385 336 1HZ LYS 44 1HZ LYS 44 19.395 -8.703 -6.379 337 2HZ LYS 44 2HZ LYS 44 19.568 -7.046 -6.086 338 3HZ LYS 44 3HZ LYS 44 18.126 -7.830 -5.679 339 H GLN 45 H GLN 45 14.451 -5.188 -4.551 340 HA GLN 45 HA GLN 45 15.002 -3.642 -6.744 341 1HB GLN 45 1HB GLN 45 13.009 -5.076 -6.516 342 2HB GLN 45 2HB GLN 45 12.313 -3.919 -5.390 343 1HG GLN 45 1HG GLN 45 12.382 -2.215 -7.200 344 2HG GLN 45 2HG GLN 45 12.902 -3.485 -8.307 345 1HE2 GLN 45 1HE2 GLN 45 11.430 -4.895 -9.107 346 2HE2 GLN 45 2HE2 GLN 45 9.735 -4.806 -8.788 347 H LEU 46 H LEU 46 13.257 -2.543 -3.834 348 HA LEU 46 HA LEU 46 13.772 0.229 -4.643 349 1HB LEU 46 1HB LEU 46 11.924 -0.831 -2.511 350 2HB LEU 46 2HB LEU 46 12.059 0.847 -3.032 351 HG LEU 46 HG LEU 46 11.305 -1.215 -5.047 352 1HD1 LEU 46 1HD1 LEU 46 9.952 -1.341 -2.769 353 2HD1 LEU 46 2HD1 LEU 46 9.166 -1.502 -4.339 354 3HD1 LEU 46 3HD1 LEU 46 9.121 0.040 -3.485 355 1HD2 LEU 46 1HD2 LEU 46 9.805 1.238 -5.009 356 2HD2 LEU 46 2HD2 LEU 46 10.856 0.586 -6.266 357 3HD2 LEU 46 3HD2 LEU 46 11.536 1.572 -4.970 358 H ASP 47 H ASP 47 15.776 -1.574 -3.436 359 HA ASP 47 HA ASP 47 17.204 -1.717 -1.622 360 1HB ASP 47 1HB ASP 47 18.120 0.085 -2.989 361 2HB ASP 47 2HB ASP 47 17.091 1.256 -2.170 362 H TRP 48 H TRP 48 14.651 -1.909 -0.631 363 HA TRP 48 HA TRP 48 14.681 -0.170 1.745 364 1HB TRP 48 1HB TRP 48 12.488 -1.377 0.136 365 2HB TRP 48 2HB TRP 48 12.231 -1.232 1.872 366 HD1 TRP 48 HD TRP 48 14.286 1.517 0.314 367 HE1 TRP 48 1HE TRP 48 12.891 3.678 0.214 368 HE3 TRP 48 3HE TRP 48 9.718 -0.409 1.563 369 HZ2 TRP 48 2HZ TRP 48 10.209 4.462 0.612 370 HZ3 TRP 48 3HZ TRP 48 7.789 1.114 1.681 371 HH2 TRP 48 HH TRP 48 8.031 3.498 1.216 372 H SER 49 H SER 49 13.274 -1.465 3.557 373 HA SER 49 HA SER 49 14.779 -3.959 3.980 374 1HB SER 49 1HB SER 49 13.499 -2.156 6.049 375 2HB SER 49 2HB SER 49 14.491 -3.577 6.375 376 HG SER 49 HG SER 49 15.373 -1.188 6.209 377 H VAL 50 H VAL 50 13.738 -5.814 4.637 378 HA VAL 50 HA VAL 50 11.274 -6.445 3.659 379 HB VAL 50 HB VAL 50 12.673 -8.216 4.398 380 1HG1 VAL 50 1HG1 VAL 50 12.756 -8.422 7.078 381 2HG1 VAL 50 2HG1 VAL 50 14.005 -7.620 6.124 382 3HG1 VAL 50 3HG1 VAL 50 12.746 -6.667 6.909 383 1HG2 VAL 50 1HG2 VAL 50 10.363 -8.801 4.522 384 2HG2 VAL 50 2HG2 VAL 50 11.159 -9.487 5.939 385 3HG2 VAL 50 3HG2 VAL 50 10.190 -8.022 6.095 386 H ARG 51 H ARG 51 12.012 -4.920 6.728 387 HA ARG 51 HA ARG 51 9.298 -5.119 7.694 388 1HB ARG 51 1HB ARG 51 11.868 -4.034 8.725 389 2HB ARG 51 2HB ARG 51 10.384 -3.352 9.378 390 1HG ARG 51 1HG ARG 51 10.801 -5.044 10.865 391 2HG ARG 51 2HG ARG 51 9.721 -5.849 9.724 392 1HD ARG 51 1HD ARG 51 11.735 -7.181 10.370 393 2HD ARG 51 2HD ARG 51 11.551 -6.921 8.635 394 HE ARG 51 HE ARG 51 13.549 -5.830 8.657 395 1HH1 ARG 51 2HH1 ARG 51 12.236 -5.788 11.881 396 2HH1 ARG 51 1HH1 ARG 51 13.629 -5.031 12.579 397 1HH2 ARG 51 2HH2 ARG 51 15.390 -4.834 9.564 398 2HH2 ARG 51 1HH2 ARG 51 15.422 -4.489 11.260 399 H LYS 52 H LYS 52 11.446 -2.445 6.724 400 HA LYS 52 HA LYS 52 9.731 -0.325 6.943 401 1HB LYS 52 1HB LYS 52 12.152 -0.276 6.226 402 2HB LYS 52 2HB LYS 52 11.609 -0.703 4.608 403 1HG LYS 52 1HG LYS 52 10.212 1.353 4.600 404 2HG LYS 52 2HG LYS 52 10.936 1.794 6.148 405 1HD LYS 52 1HD LYS 52 13.173 1.697 5.058 406 2HD LYS 52 2HD LYS 52 12.361 1.422 3.515 407 1HE LYS 52 1HE LYS 52 11.229 3.561 3.703 408 2HE LYS 52 2HE LYS 52 11.950 3.827 5.289 409 1HZ LYS 52 1HZ LYS 52 13.391 3.654 2.700 410 2HZ LYS 52 2HZ LYS 52 14.147 3.776 4.208 411 3HZ LYS 52 3HZ LYS 52 13.175 5.041 3.644 412 H ILE 53 H ILE 53 9.955 -2.627 4.263 413 HA ILE 53 HA ILE 53 8.072 -1.360 2.584 414 HB ILE 53 HB ILE 53 8.833 -4.280 2.711 415 1HG1 ILE 53 1HG1 ILE 53 9.820 -2.228 0.740 416 2HG1 ILE 53 2HG1 ILE 53 10.642 -2.501 2.273 417 1HG2 ILE 53 1HG2 ILE 53 6.651 -3.508 1.514 418 2HG2 ILE 53 2HG2 ILE 53 7.763 -2.920 0.279 419 3HG2 ILE 53 3HG2 ILE 53 7.746 -4.630 0.709 420 1HD1 ILE 53 1HD1 ILE 53 11.400 -4.563 1.652 421 2HD1 ILE 53 2HD1 ILE 53 10.077 -4.831 0.516 422 3HD1 ILE 53 3HD1 ILE 53 11.393 -3.734 0.095 423 H GLN 54 H GLN 54 7.722 -4.162 4.761 424 HA GLN 54 HA GLN 54 5.118 -4.814 4.441 425 1HB GLN 54 1HB GLN 54 6.787 -4.657 6.932 426 2HB GLN 54 2HB GLN 54 5.114 -5.193 7.006 427 1HG GLN 54 1HG GLN 54 6.934 -6.476 5.037 428 2HG GLN 54 2HG GLN 54 7.090 -6.898 6.742 429 1HE2 GLN 54 1HE2 GLN 54 6.468 -9.034 6.054 430 2HE2 GLN 54 2HE2 GLN 54 4.796 -9.411 5.842 431 H CYS 55 H CYS 55 6.283 -2.217 6.580 432 HA CYS 55 HA CYS 55 3.870 -1.331 7.572 433 1HB CYS 55 1HB CYS 55 6.269 -0.531 8.093 434 2HB CYS 55 2HB CYS 55 6.033 0.598 6.765 435 HG CYS 55 HG CYS 55 4.928 0.750 9.889 436 H TRP 56 H TRP 56 5.431 -0.471 4.514 437 HA TRP 56 HA TRP 56 3.649 1.510 3.686 438 1HB TRP 56 1HB TRP 56 5.828 0.982 2.595 439 2HB TRP 56 2HB TRP 56 5.097 -0.468 1.914 440 HD1 TRP 56 HD TRP 56 5.416 3.240 1.355 441 HE1 TRP 56 1HE TRP 56 4.180 3.894 -0.806 442 HE3 TRP 56 3HE TRP 56 2.948 -1.149 0.471 443 HZ2 TRP 56 2HZ TRP 56 2.395 2.707 -2.642 444 HZ3 TRP 56 3HZ TRP 56 1.495 -1.307 -1.509 445 HH2 TRP 56 HH TRP 56 1.225 0.582 -3.031 446 H PHE 57 H PHE 57 3.604 -1.984 3.007 447 HA PHE 57 HA PHE 57 1.312 -2.052 1.437 448 1HB PHE 57 1HB PHE 57 2.744 -4.030 3.144 449 2HB PHE 57 2HB PHE 57 1.124 -4.445 2.593 450 HD1 PHE 57 1HD PHE 57 4.594 -4.137 1.698 451 HD2 PHE 57 2HD PHE 57 0.650 -4.517 0.142 452 HE1 PHE 57 1HE PHE 57 5.520 -4.850 -0.467 453 HE2 PHE 57 2HE PHE 57 1.570 -5.232 -2.025 454 HZ PHE 57 HZ PHE 57 4.008 -5.400 -2.332 455 H ARG 58 H ARG 58 1.670 -1.916 4.919 456 HA ARG 58 HA ARG 58 -1.043 -2.517 5.539 457 1HB ARG 58 1HB ARG 58 1.181 -1.210 7.101 458 2HB ARG 58 2HB ARG 58 -0.426 -1.454 7.771 459 1HG ARG 58 1HG ARG 58 -0.198 -3.868 7.430 460 2HG ARG 58 2HG ARG 58 1.423 -3.613 6.779 461 1HD ARG 58 1HD ARG 58 1.482 -4.300 9.131 462 2HD ARG 58 2HD ARG 58 2.153 -2.686 8.902 463 HE ARG 58 HE ARG 58 0.460 -1.837 10.190 464 1HH1 ARG 58 2HH1 ARG 58 -0.350 -5.084 9.229 465 2HH1 ARG 58 1HH1 ARG 58 -1.742 -5.179 10.256 466 1HH2 ARG 58 2HH2 ARG 58 -1.370 -1.951 11.546 467 2HH2 ARG 58 1HH2 ARG 58 -2.322 -3.397 11.573 468 H HIS 59 H HIS 59 0.776 0.486 5.103 469 HA HIS 59 HA HIS 59 -1.341 2.227 5.821 470 1HB HIS 59 1HB HIS 59 1.204 2.707 5.597 471 2HB HIS 59 2HB HIS 59 0.836 2.996 3.899 472 HD1 HIS 59 1HD HIS 59 -1.528 4.695 3.828 473 HD2 HIS 59 2HD HIS 59 1.274 5.075 6.872 474 HE1 HIS 59 1HE HIS 59 -1.846 7.014 4.749 475 HE2 HIS 59 2HE HIS 59 -0.083 7.251 6.532 476 H ARG 60 H ARG 60 -0.217 0.936 2.725 477 HA ARG 60 HA ARG 60 -1.630 2.365 0.904 478 1HB ARG 60 1HB ARG 60 -0.207 0.598 0.160 479 2HB ARG 60 2HB ARG 60 -1.161 -0.612 1.007 480 1HG ARG 60 1HG ARG 60 -1.892 -0.936 -1.126 481 2HG ARG 60 2HG ARG 60 -3.070 0.257 -0.574 482 1HD ARG 60 1HD ARG 60 -1.520 2.020 -1.527 483 2HD ARG 60 2HD ARG 60 -0.643 0.698 -2.296 484 HE ARG 60 HE ARG 60 -2.371 0.452 -3.796 485 1HH1 ARG 60 2HH1 ARG 60 -3.340 2.578 -1.214 486 2HH1 ARG 60 1HH1 ARG 60 -4.794 3.089 -2.005 487 1HH2 ARG 60 2HH2 ARG 60 -4.283 1.117 -4.847 488 2HH2 ARG 60 1HH2 ARG 60 -5.331 2.256 -4.071 489 H ARG 61 H ARG 61 -2.919 -0.629 2.363 490 HA ARG 61 HA ARG 61 -5.431 -0.706 1.453 491 1HB ARG 61 1HB ARG 61 -4.336 -1.240 4.183 492 2HB ARG 61 2HB ARG 61 -6.074 -1.327 3.934 493 1HG ARG 61 1HG ARG 61 -5.352 -2.852 1.904 494 2HG ARG 61 2HG ARG 61 -3.918 -3.084 2.906 495 1HD ARG 61 1HD ARG 61 -5.604 -4.805 3.333 496 2HD ARG 61 2HD ARG 61 -5.311 -3.814 4.761 497 HE ARG 61 HE ARG 61 -7.441 -2.637 3.501 498 1HH1 ARG 61 2HH1 ARG 61 -6.734 -5.800 4.772 499 2HH1 ARG 61 1HH1 ARG 61 -8.383 -6.153 5.168 500 1HH2 ARG 61 2HH2 ARG 61 -9.616 -3.090 4.018 501 2HH2 ARG 61 1HH2 ARG 61 -10.022 -4.611 4.737 502 H ASN 62 H ASN 62 -4.587 1.189 4.359 503 HA ASN 62 HA ASN 62 -7.037 2.438 4.712 504 1HB ASN 62 1HB ASN 62 -4.787 2.470 6.118 505 2HB ASN 62 2HB ASN 62 -4.549 3.993 5.267 506 1HD2 ASN 62 1HD2 ASN 62 -6.478 2.267 7.577 507 2HD2 ASN 62 2HD2 ASN 62 -7.313 3.640 8.212 508 H GLN 63 H GLN 63 -4.365 3.287 2.589 509 HA GLN 63 HA GLN 63 -5.391 5.827 1.820 510 1HB GLN 63 1HB GLN 63 -3.032 5.338 1.568 511 2HB GLN 63 2HB GLN 63 -3.389 4.001 0.483 512 1HG GLN 63 1HG GLN 63 -3.955 5.398 -1.268 513 2HG GLN 63 2HG GLN 63 -4.274 6.768 -0.205 514 1HE2 GLN 63 1HE2 GLN 63 -2.514 7.923 0.662 515 2HE2 GLN 63 2HE2 GLN 63 -0.956 7.874 -0.084 516 H ASP 64 H ASP 64 -5.963 2.566 0.792 517 HA ASP 64 HA ASP 64 -7.348 3.430 -1.626 518 1HB ASP 64 1HB ASP 64 -5.816 1.298 -1.298 519 2HB ASP 64 2HB ASP 64 -7.319 0.584 -0.719 520 H LYS 65 H LYS 65 -8.523 4.385 0.690 521 HA LYS 65 HA LYS 65 -11.128 3.091 0.527 522 1HB LYS 65 1HB LYS 65 -9.711 3.586 3.152 523 2HB LYS 65 2HB LYS 65 -11.392 3.097 2.990 524 1HG LYS 65 1HG LYS 65 -9.122 1.464 1.896 525 2HG LYS 65 2HG LYS 65 -9.733 1.276 3.542 526 1HD LYS 65 1HD LYS 65 -12.030 0.972 2.470 527 2HD LYS 65 2HD LYS 65 -11.164 0.780 0.944 528 1HE LYS 65 1HE LYS 65 -10.377 -0.839 3.331 529 2HE LYS 65 2HE LYS 65 -11.774 -1.315 2.367 530 1HZ LYS 65 1HZ LYS 65 -9.848 -2.448 1.559 531 2HZ LYS 65 2HZ LYS 65 -8.980 -1.004 1.414 532 3HZ LYS 65 3HZ LYS 65 -10.302 -1.301 0.401 533 HA PRO 66 HA PRO 66 -12.517 7.264 0.494 534 1HB PRO 66 1HB PRO 66 -15.085 6.893 1.295 535 2HB PRO 66 2HB PRO 66 -14.506 6.444 -0.313 536 1HG PRO 66 1HG PRO 66 -14.926 4.721 2.098 537 2HG PRO 66 2HG PRO 66 -15.339 4.395 0.405 538 1HD PRO 66 1HD PRO 66 -13.134 3.363 1.591 539 2HD PRO 66 2HD PRO 66 -13.183 3.781 -0.134 540 H SER 67 H SER 67 -11.896 5.575 3.255 541 HA SER 67 HA SER 67 -13.126 6.560 5.404 542 1HB SER 67 1HB SER 67 -11.129 5.150 5.565 543 2HB SER 67 2HB SER 67 -10.116 6.505 5.067 544 HG SER 67 HG SER 67 -10.029 6.482 7.258 545 H GLY 68 H GLY 68 -13.627 8.465 6.282 546 1HA GLY 68 1HA GLY 68 -12.048 10.731 6.438 547 2HA GLY 68 2HA GLY 68 -12.970 10.894 4.951 548 HA PRO 69 HA PRO 69 -16.035 10.907 8.734 549 1HB PRO 69 1HB PRO 69 -14.900 11.677 11.077 550 2HB PRO 69 2HB PRO 69 -15.034 9.984 10.585 551 1HG PRO 69 1HG PRO 69 -12.685 11.831 10.398 552 2HG PRO 69 2HG PRO 69 -12.735 10.132 10.905 553 1HD PRO 69 1HD PRO 69 -11.948 10.890 8.428 554 2HD PRO 69 2HD PRO 69 -12.785 9.355 8.736 555 H SER 70 H SER 70 -13.789 13.066 7.580 556 HA SER 70 HA SER 70 -13.623 15.343 7.464 557 1HB SER 70 1HB SER 70 -16.637 15.113 7.653 558 2HB SER 70 2HB SER 70 -15.744 16.492 7.013 559 HG SER 70 HG SER 70 -16.556 14.936 5.427 560 H SER 71 H SER 71 -13.146 14.467 10.026 561 HA SER 71 HA SER 71 -14.654 15.535 12.086 562 1HB SER 71 1HB SER 71 -12.637 15.430 13.444 563 2HB SER 71 2HB SER 71 -12.707 14.019 12.389 564 HG SER 71 HG SER 71 -11.314 16.344 11.613 565 H GLY 72 H GLY 72 -14.925 17.511 12.973 566 1HA GLY 72 1HA GLY 72 -14.870 19.796 13.183 567 2HA GLY 72 2HA GLY 72 -13.168 19.684 12.758 Start of MODEL 14 1 1H GLY 1 H GLY 1 -22.135 -2.743 11.469 2 1HA GLY 1 1HA GLY 1 -20.598 -0.306 11.824 3 2HA GLY 1 2HA GLY 1 -19.871 -1.494 10.753 4 H SER 2 H SER 2 -21.175 1.272 10.434 5 HA SER 2 HA SER 2 -22.280 0.771 7.856 6 1HB SER 2 1HB SER 2 -24.221 0.165 9.302 7 2HB SER 2 2HB SER 2 -24.205 1.804 9.952 8 HG SER 2 HG SER 2 -25.254 2.421 8.251 9 H SER 3 H SER 3 -22.920 2.777 6.757 10 HA SER 3 HA SER 3 -21.839 5.197 8.030 11 1HB SER 3 1HB SER 3 -20.729 5.823 5.937 12 2HB SER 3 2HB SER 3 -20.126 4.270 6.514 13 HG SER 3 HG SER 3 -22.289 4.260 4.749 14 H GLY 4 H GLY 4 -22.623 7.201 7.123 15 1HA GLY 4 1HA GLY 4 -25.142 6.892 5.613 16 2HA GLY 4 2HA GLY 4 -25.043 7.931 7.027 17 H SER 5 H SER 5 -23.328 7.418 3.943 18 HA SER 5 HA SER 5 -23.634 10.232 3.307 19 1HB SER 5 1HB SER 5 -20.880 8.989 3.507 20 2HB SER 5 2HB SER 5 -21.246 10.628 2.968 21 HG SER 5 HG SER 5 -20.628 10.613 5.152 22 H SER 6 H SER 6 -23.549 10.656 1.129 23 HA SER 6 HA SER 6 -23.776 8.363 -0.605 24 1HB SER 6 1HB SER 6 -25.316 10.222 -0.912 25 2HB SER 6 2HB SER 6 -23.970 11.329 -1.179 26 HG SER 6 HG SER 6 -24.273 9.053 -2.804 27 H GLY 7 H GLY 7 -21.645 11.206 -0.395 28 1HA GLY 7 1HA GLY 7 -19.327 11.191 -0.802 29 2HA GLY 7 2HA GLY 7 -19.498 9.628 -1.588 30 H GLY 8 H GLY 8 -18.733 9.866 -3.592 31 1HA GLY 8 1HA GLY 8 -18.786 10.509 -5.813 32 2HA GLY 8 2HA GLY 8 -20.123 11.583 -5.429 33 H ILE 9 H ILE 9 -16.607 11.266 -5.002 34 HA ILE 9 HA ILE 9 -16.415 14.201 -5.086 35 HB ILE 9 HB ILE 9 -15.464 13.233 -3.064 36 1HG1 ILE 9 1HG1 ILE 9 -13.238 14.126 -4.905 37 2HG1 ILE 9 2HG1 ILE 9 -14.403 15.223 -4.172 38 1HG2 ILE 9 1HG2 ILE 9 -14.909 11.031 -3.693 39 2HG2 ILE 9 2HG2 ILE 9 -13.859 11.584 -4.997 40 3HG2 ILE 9 3HG2 ILE 9 -13.375 11.816 -3.317 41 1HD1 ILE 9 1HD1 ILE 9 -13.259 13.588 -2.139 42 2HD1 ILE 9 2HD1 ILE 9 -11.972 14.304 -3.110 43 3HD1 ILE 9 3HD1 ILE 9 -13.176 15.337 -2.341 44 H LYS 10 H LYS 10 -14.505 15.094 -6.195 45 HA LYS 10 HA LYS 10 -14.012 13.628 -8.687 46 1HB LYS 10 1HB LYS 10 -14.936 16.067 -8.536 47 2HB LYS 10 2HB LYS 10 -13.255 16.496 -8.246 48 1HG LYS 10 1HG LYS 10 -12.767 15.161 -10.390 49 2HG LYS 10 2HG LYS 10 -14.499 15.310 -10.695 50 1HD LYS 10 1HD LYS 10 -14.119 17.830 -10.249 51 2HD LYS 10 2HD LYS 10 -12.415 17.459 -10.525 52 1HE LYS 10 1HE LYS 10 -13.255 18.140 -12.615 53 2HE LYS 10 2HE LYS 10 -13.156 16.382 -12.701 54 1HZ LYS 10 1HZ LYS 10 -15.634 17.882 -12.054 55 2HZ LYS 10 2HZ LYS 10 -15.497 16.218 -12.325 56 3HZ LYS 10 3HZ LYS 10 -15.247 17.305 -13.597 57 H ASP 11 H ASP 11 -12.167 15.880 -6.621 58 HA ASP 11 HA ASP 11 -9.717 14.450 -7.345 59 1HB ASP 11 1HB ASP 11 -10.099 17.095 -5.926 60 2HB ASP 11 2HB ASP 11 -8.545 16.392 -6.366 61 H SER 12 H SER 12 -10.188 12.608 -6.014 62 HA SER 12 HA SER 12 -10.616 12.779 -3.228 63 1HB SER 12 1HB SER 12 -9.912 10.364 -3.230 64 2HB SER 12 2HB SER 12 -11.191 10.746 -4.382 65 HG SER 12 HG SER 12 -8.566 9.973 -4.826 66 HA PRO 13 HA PRO 13 -6.595 13.794 -1.743 67 1HB PRO 13 1HB PRO 13 -6.864 12.894 0.805 68 2HB PRO 13 2HB PRO 13 -7.638 14.372 0.221 69 1HG PRO 13 1HG PRO 13 -8.799 11.634 0.564 70 2HG PRO 13 2HG PRO 13 -9.504 13.208 0.976 71 1HD PRO 13 1HD PRO 13 -10.175 11.855 -1.271 72 2HD PRO 13 2HD PRO 13 -10.151 13.629 -1.196 73 H VAL 14 H VAL 14 -5.230 12.422 -2.894 74 HA VAL 14 HA VAL 14 -4.496 9.950 -1.481 75 HB VAL 14 HB VAL 14 -4.886 10.271 -4.453 76 1HG1 VAL 14 1HG1 VAL 14 -2.930 9.082 -4.498 77 2HG1 VAL 14 2HG1 VAL 14 -3.214 8.342 -2.921 78 3HG1 VAL 14 3HG1 VAL 14 -4.092 7.765 -4.339 79 1HG2 VAL 14 1HG2 VAL 14 -6.873 9.398 -3.937 80 2HG2 VAL 14 2HG2 VAL 14 -6.013 7.896 -3.596 81 3HG2 VAL 14 3HG2 VAL 14 -6.368 9.026 -2.289 82 H ASN 15 H ASN 15 -2.757 11.098 -0.548 83 HA ASN 15 HA ASN 15 -0.785 12.342 -2.257 84 1HB ASN 15 1HB ASN 15 -0.846 11.832 0.723 85 2HB ASN 15 2HB ASN 15 0.454 12.684 -0.105 86 1HD2 ASN 15 1HD2 ASN 15 0.163 14.633 0.863 87 2HD2 ASN 15 2HD2 ASN 15 -1.238 15.618 0.631 88 H LYS 16 H LYS 16 1.086 11.483 -2.950 89 HA LYS 16 HA LYS 16 1.468 8.711 -3.004 90 1HB LYS 16 1HB LYS 16 3.238 11.054 -3.630 91 2HB LYS 16 2HB LYS 16 3.875 9.415 -3.693 92 1HG LYS 16 1HG LYS 16 1.446 10.303 -5.227 93 2HG LYS 16 2HG LYS 16 3.086 10.353 -5.877 94 1HD LYS 16 1HD LYS 16 3.273 8.049 -5.937 95 2HD LYS 16 2HD LYS 16 2.035 7.814 -4.701 96 1HE LYS 16 1HE LYS 16 0.293 8.191 -6.208 97 2HE LYS 16 2HE LYS 16 1.350 8.988 -7.373 98 1HZ LYS 16 1HZ LYS 16 2.422 6.841 -7.778 99 2HZ LYS 16 2HZ LYS 16 0.770 6.793 -8.138 100 3HZ LYS 16 3HZ LYS 16 1.344 6.093 -6.709 101 H VAL 17 H VAL 17 1.242 8.141 -0.746 102 HA VAL 17 HA VAL 17 2.569 8.857 1.451 103 HB VAL 17 HB VAL 17 2.663 6.516 2.188 104 1HG1 VAL 17 1HG1 VAL 17 0.280 5.991 1.910 105 2HG1 VAL 17 2HG1 VAL 17 0.539 7.695 2.290 106 3HG1 VAL 17 3HG1 VAL 17 0.169 7.204 0.636 107 1HG2 VAL 17 1HG2 VAL 17 1.798 4.781 0.546 108 2HG2 VAL 17 2HG2 VAL 17 2.145 5.957 -0.722 109 3HG2 VAL 17 3HG2 VAL 17 3.449 5.348 0.297 110 H GLU 18 H GLU 18 4.000 6.657 -0.965 111 HA GLU 18 HA GLU 18 6.619 7.780 -0.477 112 1HB GLU 18 1HB GLU 18 5.804 5.128 0.561 113 2HB GLU 18 2HB GLU 18 7.366 5.200 -0.242 114 1HG GLU 18 1HG GLU 18 8.298 6.500 1.372 115 2HG GLU 18 2HG GLU 18 6.770 7.271 1.791 116 HA PRO 19 HA PRO 19 7.319 6.703 -4.671 117 1HB PRO 19 1HB PRO 19 9.955 6.055 -4.688 118 2HB PRO 19 2HB PRO 19 9.375 7.713 -4.493 119 1HG PRO 19 1HG PRO 19 10.295 5.772 -2.409 120 2HG PRO 19 2HG PRO 19 10.652 7.502 -2.562 121 1HD PRO 19 1HD PRO 19 8.787 6.546 -0.848 122 2HD PRO 19 2HD PRO 19 8.636 8.129 -1.637 123 H ASN 20 H ASN 20 7.196 4.397 -2.335 124 HA ASN 20 HA ASN 20 8.193 2.164 -3.880 125 1HB ASN 20 1HB ASN 20 6.986 2.503 -1.162 126 2HB ASN 20 2HB ASN 20 7.006 0.902 -1.896 127 1HD2 ASN 20 1HD2 ASN 20 9.384 3.501 -2.123 128 2HD2 ASN 20 2HD2 ASN 20 10.684 2.613 -1.411 129 H ASP 21 H ASP 21 5.968 3.824 -4.914 130 HA ASP 21 HA ASP 21 3.464 2.761 -4.739 131 1HB ASP 21 1HB ASP 21 3.100 3.496 -7.063 132 2HB ASP 21 2HB ASP 21 3.981 4.702 -6.129 133 H THR 22 H THR 22 6.182 1.490 -6.600 134 HA THR 22 HA THR 22 5.203 -0.384 -8.215 135 HB THR 22 HB THR 22 7.445 -0.742 -6.230 136 HG1 THR 22 1HG THR 22 8.561 -0.609 -8.412 137 1HG2 THR 22 1HG2 THR 22 7.518 -2.918 -6.704 138 2HG2 THR 22 2HG2 THR 22 7.783 -2.509 -8.399 139 3HG2 THR 22 3HG2 THR 22 6.144 -2.760 -7.798 140 H LEU 23 H LEU 23 5.198 -0.636 -4.694 141 HA LEU 23 HA LEU 23 4.278 -3.284 -4.502 142 1HB LEU 23 1HB LEU 23 4.117 -0.911 -2.675 143 2HB LEU 23 2HB LEU 23 3.382 -2.454 -2.242 144 HG LEU 23 HG LEU 23 5.474 -3.525 -2.093 145 1HD1 LEU 23 1HD1 LEU 23 6.799 -1.076 -3.238 146 2HD1 LEU 23 2HD1 LEU 23 6.390 -2.509 -4.181 147 3HD1 LEU 23 3HD1 LEU 23 7.548 -2.627 -2.855 148 1HD2 LEU 23 1HD2 LEU 23 6.217 -2.532 -0.216 149 2HD2 LEU 23 2HD2 LEU 23 4.829 -1.471 -0.458 150 3HD2 LEU 23 3HD2 LEU 23 6.430 -0.967 -1.001 151 H GLU 24 H GLU 24 2.497 -0.205 -4.471 152 HA GLU 24 HA GLU 24 -0.041 -0.867 -4.008 153 1HB GLU 24 1HB GLU 24 0.502 1.364 -4.703 154 2HB GLU 24 2HB GLU 24 0.968 0.811 -6.305 155 1HG GLU 24 1HG GLU 24 -1.265 0.367 -6.911 156 2HG GLU 24 2HG GLU 24 -1.824 0.513 -5.246 157 H LYS 25 H LYS 25 1.641 -1.584 -7.041 158 HA LYS 25 HA LYS 25 -0.577 -2.767 -8.344 159 1HB LYS 25 1HB LYS 25 1.569 -1.921 -9.411 160 2HB LYS 25 2HB LYS 25 2.325 -3.410 -8.861 161 1HG LYS 25 1HG LYS 25 0.994 -4.735 -10.268 162 2HG LYS 25 2HG LYS 25 -0.142 -3.417 -10.568 163 1HD LYS 25 1HD LYS 25 2.702 -3.014 -11.336 164 2HD LYS 25 2HD LYS 25 1.720 -4.092 -12.331 165 1HE LYS 25 1HE LYS 25 1.455 -2.007 -13.340 166 2HE LYS 25 2HE LYS 25 0.006 -2.181 -12.352 167 1HZ LYS 25 1HZ LYS 25 1.618 -0.039 -12.319 168 2HZ LYS 25 2HZ LYS 25 2.235 -0.920 -11.014 169 3HZ LYS 25 3HZ LYS 25 0.601 -0.483 -11.042 170 H VAL 26 H VAL 26 2.361 -4.409 -7.160 171 HA VAL 26 HA VAL 26 1.587 -6.997 -7.298 172 HB VAL 26 HB VAL 26 3.722 -5.806 -6.202 173 1HG1 VAL 26 1HG1 VAL 26 2.282 -6.953 -3.816 174 2HG1 VAL 26 2HG1 VAL 26 3.862 -6.167 -3.843 175 3HG1 VAL 26 3HG1 VAL 26 2.403 -5.228 -4.160 176 1HG2 VAL 26 1HG2 VAL 26 4.592 -7.904 -6.028 177 2HG2 VAL 26 2HG2 VAL 26 3.179 -8.543 -5.187 178 3HG2 VAL 26 3HG2 VAL 26 3.127 -8.290 -6.931 179 H PHE 27 H PHE 27 0.679 -4.702 -4.771 180 HA PHE 27 HA PHE 27 -0.552 -6.412 -2.977 181 1HB PHE 27 1HB PHE 27 -0.270 -4.145 -2.335 182 2HB PHE 27 2HB PHE 27 -1.158 -3.559 -3.738 183 HD1 PHE 27 1HD PHE 27 -1.355 -4.550 -0.315 184 HD2 PHE 27 2HD PHE 27 -3.642 -4.058 -3.871 185 HE1 PHE 27 1HE PHE 27 -3.419 -4.492 1.024 186 HE2 PHE 27 2HE PHE 27 -5.709 -3.998 -2.538 187 HZ PHE 27 HZ PHE 27 -5.599 -4.214 -0.087 188 H VAL 28 H VAL 28 -1.920 -4.859 -5.856 189 HA VAL 28 HA VAL 28 -4.319 -6.536 -5.564 190 HB VAL 28 HB VAL 28 -4.633 -4.051 -5.725 191 1HG1 VAL 28 1HG1 VAL 28 -3.333 -3.017 -7.223 192 2HG1 VAL 28 2HG1 VAL 28 -3.063 -4.496 -8.146 193 3HG1 VAL 28 3HG1 VAL 28 -4.522 -3.542 -8.415 194 1HG2 VAL 28 1HG2 VAL 28 -6.662 -4.586 -6.451 195 2HG2 VAL 28 2HG2 VAL 28 -6.058 -4.775 -8.097 196 3HG2 VAL 28 3HG2 VAL 28 -6.037 -6.145 -6.987 197 H SER 29 H SER 29 -1.459 -6.804 -6.955 198 HA SER 29 HA SER 29 -2.460 -7.790 -9.537 199 1HB SER 29 1HB SER 29 0.144 -6.688 -8.616 200 2HB SER 29 2HB SER 29 0.200 -7.952 -9.845 201 HG SER 29 HG SER 29 -1.174 -5.475 -9.983 202 H VAL 30 H VAL 30 -0.297 -8.694 -6.863 203 HA VAL 30 HA VAL 30 -0.574 -11.510 -7.673 204 HB VAL 30 HB VAL 30 1.469 -12.000 -6.661 205 1HG1 VAL 30 1HG1 VAL 30 1.904 -10.793 -8.660 206 2HG1 VAL 30 2HG1 VAL 30 1.639 -9.243 -7.860 207 3HG1 VAL 30 3HG1 VAL 30 3.054 -10.215 -7.454 208 1HG2 VAL 30 1HG2 VAL 30 2.644 -10.478 -5.120 209 2HG2 VAL 30 2HG2 VAL 30 1.282 -9.360 -5.211 210 3HG2 VAL 30 3HG2 VAL 30 1.062 -10.962 -4.508 211 H THR 31 H THR 31 -0.565 -9.397 -4.816 212 HA THR 31 HA THR 31 -2.764 -10.666 -3.605 213 HB THR 31 HB THR 31 -1.183 -12.520 -3.258 214 HG1 THR 31 1HG THR 31 -2.297 -11.067 -1.144 215 1HG2 THR 31 1HG2 THR 31 0.461 -11.498 -1.205 216 2HG2 THR 31 2HG2 THR 31 0.596 -10.385 -2.565 217 3HG2 THR 31 3HG2 THR 31 0.953 -12.097 -2.788 218 H LYS 32 H LYS 32 -3.533 -9.486 -1.903 219 HA LYS 32 HA LYS 32 -2.429 -6.897 -1.491 220 1HB LYS 32 1HB LYS 32 -4.609 -8.323 0.045 221 2HB LYS 32 2HB LYS 32 -4.261 -6.600 0.119 222 1HG LYS 32 1HG LYS 32 -4.781 -6.451 -2.307 223 2HG LYS 32 2HG LYS 32 -5.275 -8.145 -2.257 224 1HD LYS 32 1HD LYS 32 -7.018 -7.636 -0.669 225 2HD LYS 32 2HD LYS 32 -6.470 -5.962 -0.551 226 1HE LYS 32 1HE LYS 32 -6.919 -5.802 -3.047 227 2HE LYS 32 2HE LYS 32 -7.760 -7.343 -2.891 228 1HZ LYS 32 1HZ LYS 32 -8.964 -6.047 -0.968 229 2HZ LYS 32 2HZ LYS 32 -9.482 -5.917 -2.573 230 3HZ LYS 32 3HZ LYS 32 -8.522 -4.701 -1.893 231 H TYR 33 H TYR 33 -2.462 -9.881 0.383 232 HA TYR 33 HA TYR 33 -0.724 -8.592 2.381 233 1HB TYR 33 1HB TYR 33 -2.635 -10.910 2.582 234 2HB TYR 33 2HB TYR 33 -1.377 -10.646 3.784 235 HD1 TYR 33 1HD TYR 33 -1.603 -8.963 5.449 236 HD2 TYR 33 2HD TYR 33 -4.420 -9.198 2.269 237 HE1 TYR 33 1HE TYR 33 -3.063 -7.377 6.633 238 HE2 TYR 33 2HE TYR 33 -5.888 -7.612 3.444 239 HH TYR 33 HH TYR 33 -4.941 -5.663 5.844 240 HA PRO 34 HA PRO 34 2.058 -11.414 0.024 241 1HB PRO 34 1HB PRO 34 4.203 -9.756 0.156 242 2HB PRO 34 2HB PRO 34 2.962 -9.623 -1.095 243 1HG PRO 34 1HG PRO 34 3.285 -8.043 1.427 244 2HG PRO 34 2HG PRO 34 2.867 -7.478 -0.201 245 1HD PRO 34 1HD PRO 34 1.011 -7.841 1.736 246 2HD PRO 34 2HD PRO 34 0.657 -8.096 0.015 247 H ASP 35 H ASP 35 4.221 -12.265 0.691 248 HA ASP 35 HA ASP 35 4.539 -12.196 3.620 249 1HB ASP 35 1HB ASP 35 5.476 -14.633 3.125 250 2HB ASP 35 2HB ASP 35 3.760 -14.342 3.394 251 H GLU 36 H GLU 36 6.734 -12.896 4.346 252 HA GLU 36 HA GLU 36 8.734 -11.288 3.558 253 1HB GLU 36 1HB GLU 36 8.929 -12.750 5.494 254 2HB GLU 36 2HB GLU 36 9.043 -14.160 4.449 255 1HG GLU 36 1HG GLU 36 11.187 -13.615 3.736 256 2HG GLU 36 2HG GLU 36 11.033 -11.936 4.251 257 H LYS 37 H LYS 37 8.128 -14.510 2.186 258 HA LYS 37 HA LYS 37 10.183 -14.854 0.470 259 1HB LYS 37 1HB LYS 37 7.247 -15.329 -0.048 260 2HB LYS 37 2HB LYS 37 8.518 -15.903 -1.120 261 1HG LYS 37 1HG LYS 37 9.388 -17.350 0.542 262 2HG LYS 37 2HG LYS 37 8.386 -16.618 1.797 263 1HD LYS 37 1HD LYS 37 7.226 -18.562 1.316 264 2HD LYS 37 2HD LYS 37 6.406 -17.379 0.295 265 1HE LYS 37 1HE LYS 37 8.726 -18.882 -0.817 266 2HE LYS 37 2HE LYS 37 7.177 -19.708 -0.661 267 1HZ LYS 37 1HZ LYS 37 6.373 -18.619 -2.405 268 2HZ LYS 37 2HZ LYS 37 7.947 -18.091 -2.724 269 3HZ LYS 37 3HZ LYS 37 6.895 -17.118 -1.826 270 H ARG 38 H ARG 38 7.383 -12.755 -0.103 271 HA ARG 38 HA ARG 38 8.321 -11.894 -2.672 272 1HB ARG 38 1HB ARG 38 5.887 -11.943 -1.681 273 2HB ARG 38 2HB ARG 38 6.316 -10.347 -1.081 274 1HG ARG 38 1HG ARG 38 6.445 -9.437 -3.190 275 2HG ARG 38 2HG ARG 38 6.746 -10.997 -3.958 276 1HD ARG 38 1HD ARG 38 4.141 -10.499 -2.585 277 2HD ARG 38 2HD ARG 38 4.417 -9.836 -4.195 278 HE ARG 38 HE ARG 38 3.882 -12.553 -3.537 279 1HH1 ARG 38 2HH1 ARG 38 5.627 -10.514 -5.755 280 2HH1 ARG 38 1HH1 ARG 38 5.628 -11.683 -7.033 281 1HH2 ARG 38 2HH2 ARG 38 3.878 -14.101 -5.212 282 2HH2 ARG 38 1HH2 ARG 38 4.632 -13.723 -6.723 283 H LEU 39 H LEU 39 8.232 -10.484 0.580 284 HA LEU 39 HA LEU 39 9.160 -7.950 0.081 285 1HB LEU 39 1HB LEU 39 9.629 -9.828 2.369 286 2HB LEU 39 2HB LEU 39 10.337 -8.215 2.358 287 HG LEU 39 HG LEU 39 8.277 -8.314 3.679 288 1HD1 LEU 39 1HD1 LEU 39 8.051 -6.184 3.120 289 2HD1 LEU 39 2HD1 LEU 39 7.135 -6.653 1.689 290 3HD1 LEU 39 3HD1 LEU 39 8.887 -6.483 1.596 291 1HD2 LEU 39 1HD2 LEU 39 7.014 -9.107 1.059 292 2HD2 LEU 39 2HD2 LEU 39 6.115 -8.584 2.483 293 3HD2 LEU 39 3HD2 LEU 39 7.082 -10.058 2.543 294 H LYS 40 H LYS 40 11.100 -10.888 0.550 295 HA LYS 40 HA LYS 40 13.638 -10.031 0.579 296 1HB LYS 40 1HB LYS 40 12.395 -12.292 -0.952 297 2HB LYS 40 2HB LYS 40 14.123 -11.988 -1.073 298 1HG LYS 40 1HG LYS 40 12.880 -12.211 1.624 299 2HG LYS 40 2HG LYS 40 13.179 -13.675 0.684 300 1HD LYS 40 1HD LYS 40 15.516 -13.209 0.565 301 2HD LYS 40 2HD LYS 40 15.288 -11.593 1.238 302 1HE LYS 40 1HE LYS 40 14.540 -12.590 3.349 303 2HE LYS 40 2HE LYS 40 14.784 -14.199 2.673 304 1HZ LYS 40 1HZ LYS 40 17.169 -13.426 2.296 305 2HZ LYS 40 2HZ LYS 40 16.707 -13.786 3.882 306 3HZ LYS 40 3HZ LYS 40 16.815 -12.175 3.378 307 H GLY 41 H GLY 41 11.656 -10.221 -2.368 308 1HA GLY 41 1HA GLY 41 13.660 -9.256 -4.120 309 2HA GLY 41 2HA GLY 41 11.933 -9.276 -4.443 310 H LEU 42 H LEU 42 10.688 -7.543 -3.155 311 HA LEU 42 HA LEU 42 11.256 -5.056 -4.057 312 1HB LEU 42 1HB LEU 42 9.914 -5.868 -1.492 313 2HB LEU 42 2HB LEU 42 9.971 -4.197 -2.048 314 HG LEU 42 HG LEU 42 8.734 -6.443 -3.632 315 1HD1 LEU 42 1HD1 LEU 42 7.653 -4.760 -1.446 316 2HD1 LEU 42 2HD1 LEU 42 7.242 -6.407 -1.921 317 3HD1 LEU 42 3HD1 LEU 42 6.619 -5.041 -2.847 318 1HD2 LEU 42 1HD2 LEU 42 9.187 -3.573 -4.052 319 2HD2 LEU 42 2HD2 LEU 42 7.548 -4.125 -4.400 320 3HD2 LEU 42 3HD2 LEU 42 8.923 -4.867 -5.221 321 H SER 43 H SER 43 12.309 -6.383 -0.934 322 HA SER 43 HA SER 43 13.516 -4.288 0.264 323 1HB SER 43 1HB SER 43 13.607 -6.419 1.332 324 2HB SER 43 2HB SER 43 14.527 -7.123 0.002 325 HG SER 43 HG SER 43 15.615 -4.924 1.338 326 H LYS 44 H LYS 44 14.780 -6.083 -2.495 327 HA LYS 44 HA LYS 44 17.173 -4.431 -2.590 328 1HB LYS 44 1HB LYS 44 16.235 -6.905 -3.958 329 2HB LYS 44 2HB LYS 44 17.402 -5.896 -4.805 330 1HG LYS 44 1HG LYS 44 18.881 -6.038 -2.815 331 2HG LYS 44 2HG LYS 44 17.737 -7.176 -2.101 332 1HD LYS 44 1HD LYS 44 19.190 -8.647 -3.078 333 2HD LYS 44 2HD LYS 44 18.064 -8.409 -4.417 334 1HE LYS 44 1HE LYS 44 20.257 -8.229 -5.312 335 2HE LYS 44 2HE LYS 44 19.593 -6.597 -5.246 336 1HZ LYS 44 1HZ LYS 44 20.783 -6.452 -3.012 337 2HZ LYS 44 2HZ LYS 44 21.735 -6.383 -4.409 338 3HZ LYS 44 3HZ LYS 44 21.650 -7.816 -3.513 339 H GLN 45 H GLN 45 14.322 -5.103 -4.599 340 HA GLN 45 HA GLN 45 14.824 -3.541 -6.786 341 1HB GLN 45 1HB GLN 45 12.792 -4.968 -6.376 342 2HB GLN 45 2HB GLN 45 12.144 -3.657 -5.399 343 1HG GLN 45 1HG GLN 45 12.220 -2.178 -7.351 344 2HG GLN 45 2HG GLN 45 12.834 -3.513 -8.325 345 1HE2 GLN 45 1HE2 GLN 45 11.416 -5.549 -8.119 346 2HE2 GLN 45 2HE2 GLN 45 9.716 -5.285 -8.276 347 H LEU 46 H LEU 46 13.108 -2.418 -3.864 348 HA LEU 46 HA LEU 46 13.652 0.345 -4.662 349 1HB LEU 46 1HB LEU 46 11.879 -0.755 -2.486 350 2HB LEU 46 2HB LEU 46 12.045 0.948 -2.906 351 HG LEU 46 HG LEU 46 11.125 -1.006 -4.973 352 1HD1 LEU 46 1HD1 LEU 46 9.021 -1.197 -4.176 353 2HD1 LEU 46 2HD1 LEU 46 9.055 0.380 -3.389 354 3HD1 LEU 46 3HD1 LEU 46 9.836 -1.004 -2.624 355 1HD2 LEU 46 1HD2 LEU 46 11.538 1.773 -4.837 356 2HD2 LEU 46 2HD2 LEU 46 9.792 1.527 -4.897 357 3HD2 LEU 46 3HD2 LEU 46 10.823 0.846 -6.156 358 H ASP 47 H ASP 47 15.619 -1.595 -3.455 359 HA ASP 47 HA ASP 47 17.164 -1.712 -1.758 360 1HB ASP 47 1HB ASP 47 17.942 0.163 -3.185 361 2HB ASP 47 2HB ASP 47 17.063 1.287 -2.151 362 H TRP 48 H TRP 48 14.555 -1.783 -0.724 363 HA TRP 48 HA TRP 48 14.737 -0.124 1.696 364 1HB TRP 48 1HB TRP 48 12.464 -1.294 0.166 365 2HB TRP 48 2HB TRP 48 12.280 -1.137 1.911 366 HD1 TRP 48 HD TRP 48 14.296 1.557 0.180 367 HE1 TRP 48 1HE TRP 48 12.942 3.745 0.154 368 HE3 TRP 48 3HE TRP 48 9.799 -0.253 1.803 369 HZ2 TRP 48 2HZ TRP 48 10.315 4.593 0.744 370 HZ3 TRP 48 3HZ TRP 48 7.916 1.313 2.046 371 HH2 TRP 48 HH TRP 48 8.171 3.685 1.527 372 H SER 49 H SER 49 13.379 -1.423 3.542 373 HA SER 49 HA SER 49 14.845 -3.956 3.865 374 1HB SER 49 1HB SER 49 15.126 -1.879 5.475 375 2HB SER 49 2HB SER 49 13.645 -2.512 6.194 376 HG SER 49 HG SER 49 15.940 -4.106 5.732 377 H VAL 50 H VAL 50 13.784 -5.793 4.510 378 HA VAL 50 HA VAL 50 11.267 -6.355 3.676 379 HB VAL 50 HB VAL 50 12.773 -8.100 4.437 380 1HG1 VAL 50 1HG1 VAL 50 13.087 -8.538 6.842 381 2HG1 VAL 50 2HG1 VAL 50 13.763 -6.985 6.347 382 3HG1 VAL 50 3HG1 VAL 50 12.226 -7.044 7.209 383 1HG2 VAL 50 1HG2 VAL 50 11.101 -9.363 5.940 384 2HG2 VAL 50 2HG2 VAL 50 10.068 -7.951 5.721 385 3HG2 VAL 50 3HG2 VAL 50 10.586 -8.890 4.321 386 H ARG 51 H ARG 51 12.166 -5.034 6.829 387 HA ARG 51 HA ARG 51 9.509 -5.101 7.879 388 1HB ARG 51 1HB ARG 51 12.134 -4.000 8.749 389 2HB ARG 51 2HB ARG 51 10.686 -3.317 9.477 390 1HG ARG 51 1HG ARG 51 10.026 -5.747 9.966 391 2HG ARG 51 2HG ARG 51 11.716 -6.123 9.623 392 1HD ARG 51 1HD ARG 51 11.126 -3.900 11.505 393 2HD ARG 51 2HD ARG 51 10.876 -5.552 12.068 394 HE ARG 51 HE ARG 51 13.358 -4.242 11.754 395 1HH1 ARG 51 2HH1 ARG 51 11.827 -7.333 11.282 396 2HH1 ARG 51 1HH1 ARG 51 13.292 -8.236 11.482 397 1HH2 ARG 51 2HH2 ARG 51 15.294 -5.420 12.020 398 2HH2 ARG 51 1HH2 ARG 51 15.263 -7.147 11.903 399 H LYS 52 H LYS 52 11.611 -2.413 6.838 400 HA LYS 52 HA LYS 52 9.866 -0.319 7.083 401 1HB LYS 52 1HB LYS 52 12.274 -0.217 6.349 402 2HB LYS 52 2HB LYS 52 11.736 -0.672 4.737 403 1HG LYS 52 1HG LYS 52 10.239 1.362 4.801 404 2HG LYS 52 2HG LYS 52 11.118 1.845 6.254 405 1HD LYS 52 1HD LYS 52 13.236 1.621 4.885 406 2HD LYS 52 2HD LYS 52 12.196 1.477 3.466 407 1HE LYS 52 1HE LYS 52 11.482 3.660 3.602 408 2HE LYS 52 2HE LYS 52 11.791 3.765 5.335 409 1HZ LYS 52 1HZ LYS 52 14.218 3.621 4.733 410 2HZ LYS 52 2HZ LYS 52 13.435 5.057 4.302 411 3HZ LYS 52 3HZ LYS 52 13.758 3.884 3.126 412 H ILE 53 H ILE 53 10.148 -2.545 4.334 413 HA ILE 53 HA ILE 53 8.261 -1.340 2.662 414 HB ILE 53 HB ILE 53 8.939 -4.274 2.894 415 1HG1 ILE 53 1HG1 ILE 53 9.989 -2.262 0.904 416 2HG1 ILE 53 2HG1 ILE 53 10.822 -2.636 2.409 417 1HG2 ILE 53 1HG2 ILE 53 7.678 -4.712 1.081 418 2HG2 ILE 53 2HG2 ILE 53 6.807 -3.264 1.583 419 3HG2 ILE 53 3HG2 ILE 53 8.038 -3.160 0.325 420 1HD1 ILE 53 1HD1 ILE 53 10.242 -5.087 1.137 421 2HD1 ILE 53 2HD1 ILE 53 10.926 -4.002 -0.074 422 3HD1 ILE 53 3HD1 ILE 53 11.813 -4.335 1.413 423 H GLN 54 H GLN 54 7.790 -4.166 4.793 424 HA GLN 54 HA GLN 54 5.173 -4.690 4.517 425 1HB GLN 54 1HB GLN 54 6.889 -4.615 6.969 426 2HB GLN 54 2HB GLN 54 5.179 -4.994 7.120 427 1HG GLN 54 1HG GLN 54 5.429 -6.882 5.635 428 2HG GLN 54 2HG GLN 54 7.123 -6.476 5.365 429 1HE2 GLN 54 1HE2 GLN 54 7.070 -8.854 6.095 430 2HE2 GLN 54 2HE2 GLN 54 7.332 -9.117 7.783 431 H CYS 55 H CYS 55 6.477 -2.027 6.464 432 HA CYS 55 HA CYS 55 4.116 -1.061 7.544 433 1HB CYS 55 1HB CYS 55 6.534 -0.299 7.968 434 2HB CYS 55 2HB CYS 55 6.314 0.757 6.579 435 HG CYS 55 HG CYS 55 6.020 2.184 9.014 436 H TRP 56 H TRP 56 5.607 -0.298 4.418 437 HA TRP 56 HA TRP 56 3.856 1.676 3.563 438 1HB TRP 56 1HB TRP 56 5.952 1.015 2.397 439 2HB TRP 56 2HB TRP 56 5.146 -0.447 1.835 440 HD1 TRP 56 HD TRP 56 5.580 3.196 1.026 441 HE1 TRP 56 1HE TRP 56 4.253 3.773 -1.103 442 HE3 TRP 56 3HE TRP 56 2.871 -1.115 0.564 443 HZ2 TRP 56 2HZ TRP 56 2.314 2.561 -2.758 444 HZ3 TRP 56 3HZ TRP 56 1.302 -1.326 -1.319 445 HH2 TRP 56 HH TRP 56 1.030 0.475 -2.944 446 H PHE 57 H PHE 57 3.647 -1.833 2.976 447 HA PHE 57 HA PHE 57 1.297 -1.893 1.530 448 1HB PHE 57 1HB PHE 57 2.619 -3.831 3.386 449 2HB PHE 57 2HB PHE 57 1.006 -4.193 2.781 450 HD1 PHE 57 1HD PHE 57 4.526 -3.744 1.885 451 HD2 PHE 57 2HD PHE 57 0.637 -4.735 0.468 452 HE1 PHE 57 1HE PHE 57 5.510 -4.616 -0.195 453 HE2 PHE 57 2HE PHE 57 1.614 -5.609 -1.614 454 HZ PHE 57 HZ PHE 57 4.054 -5.551 -1.947 455 H ARG 58 H ARG 58 1.682 -2.037 5.061 456 HA ARG 58 HA ARG 58 -0.993 -2.306 5.759 457 1HB ARG 58 1HB ARG 58 1.289 -0.934 7.179 458 2HB ARG 58 2HB ARG 58 -0.298 -1.143 7.906 459 1HG ARG 58 1HG ARG 58 -0.044 -3.604 7.565 460 2HG ARG 58 2HG ARG 58 1.618 -3.299 7.055 461 1HD ARG 58 1HD ARG 58 2.171 -2.380 9.199 462 2HD ARG 58 2HD ARG 58 0.485 -2.440 9.711 463 HE ARG 58 HE ARG 58 1.050 -5.023 9.147 464 1HH1 ARG 58 2HH1 ARG 58 2.598 -2.613 11.126 465 2HH1 ARG 58 1HH1 ARG 58 3.229 -3.762 12.259 466 1HH2 ARG 58 2HH2 ARG 58 1.876 -6.545 10.632 467 2HH2 ARG 58 1HH2 ARG 58 2.819 -5.998 11.977 468 H HIS 59 H HIS 59 0.853 0.581 4.944 469 HA HIS 59 HA HIS 59 -1.055 2.497 5.711 470 1HB HIS 59 1HB HIS 59 1.456 2.713 4.893 471 2HB HIS 59 2HB HIS 59 0.685 2.990 3.334 472 HD1 HIS 59 1HD HIS 59 2.011 4.849 5.977 473 HD2 HIS 59 2HD HIS 59 -1.531 5.102 3.820 474 HE1 HIS 59 1HE HIS 59 1.194 7.206 6.300 475 HE2 HIS 59 2HE HIS 59 -0.993 7.310 5.056 476 H ARG 60 H ARG 60 -0.359 1.190 2.464 477 HA ARG 60 HA ARG 60 -2.282 2.426 0.990 478 1HB ARG 60 1HB ARG 60 -0.601 0.794 0.130 479 2HB ARG 60 2HB ARG 60 -1.600 -0.509 0.760 480 1HG ARG 60 1HG ARG 60 -2.253 -0.467 -1.433 481 2HG ARG 60 2HG ARG 60 -3.457 0.597 -0.703 482 1HD ARG 60 1HD ARG 60 -1.838 2.499 -1.286 483 2HD ARG 60 2HD ARG 60 -1.045 1.324 -2.333 484 HE ARG 60 HE ARG 60 -2.740 1.609 -3.826 485 1HH1 ARG 60 2HH1 ARG 60 -3.857 2.608 -0.684 486 2HH1 ARG 60 1HH1 ARG 60 -5.388 3.175 -1.264 487 1HH2 ARG 60 2HH2 ARG 60 -4.752 2.352 -4.602 488 2HH2 ARG 60 1HH2 ARG 60 -5.896 3.028 -3.493 489 H ARG 61 H ARG 61 -2.746 -0.663 2.713 490 HA ARG 61 HA ARG 61 -5.307 -1.277 2.189 491 1HB ARG 61 1HB ARG 61 -3.687 -1.460 4.679 492 2HB ARG 61 2HB ARG 61 -5.411 -1.781 4.807 493 1HG ARG 61 1HG ARG 61 -3.860 -3.149 2.670 494 2HG ARG 61 2HG ARG 61 -3.700 -3.708 4.336 495 1HD ARG 61 1HD ARG 61 -5.434 -5.008 3.476 496 2HD ARG 61 2HD ARG 61 -6.264 -3.732 4.365 497 HE ARG 61 HE ARG 61 -5.904 -3.044 1.626 498 1HH1 ARG 61 2HH1 ARG 61 -7.857 -4.944 3.793 499 2HH1 ARG 61 1HH1 ARG 61 -9.250 -4.924 2.763 500 1HH2 ARG 61 2HH2 ARG 61 -7.731 -3.011 0.261 501 2HH2 ARG 61 1HH2 ARG 61 -9.177 -3.825 0.754 502 H ASN 62 H ASN 62 -4.379 0.999 4.776 503 HA ASN 62 HA ASN 62 -6.979 1.782 5.457 504 1HB ASN 62 1HB ASN 62 -5.994 3.336 6.842 505 2HB ASN 62 2HB ASN 62 -4.630 2.252 6.582 506 1HD2 ASN 62 1HD2 ASN 62 -2.819 3.299 6.266 507 2HD2 ASN 62 2HD2 ASN 62 -2.634 4.797 5.425 508 H GLN 63 H GLN 63 -4.679 3.171 3.146 509 HA GLN 63 HA GLN 63 -6.134 5.430 2.413 510 1HB GLN 63 1HB GLN 63 -4.035 3.769 1.104 511 2HB GLN 63 2HB GLN 63 -4.905 4.929 0.109 512 1HG GLN 63 1HG GLN 63 -4.299 6.542 2.120 513 2HG GLN 63 2HG GLN 63 -2.988 5.381 2.321 514 1HE2 GLN 63 1HE2 GLN 63 -2.602 8.065 1.652 515 2HE2 GLN 63 2HE2 GLN 63 -1.939 8.144 0.059 516 H ASP 64 H ASP 64 -6.068 2.242 0.818 517 HA ASP 64 HA ASP 64 -7.781 2.559 -1.234 518 1HB ASP 64 1HB ASP 64 -6.784 0.403 -0.719 519 2HB ASP 64 2HB ASP 64 -7.778 0.257 0.727 520 H LYS 65 H LYS 65 -8.766 2.081 2.143 521 HA LYS 65 HA LYS 65 -11.563 2.350 1.523 522 1HB LYS 65 1HB LYS 65 -10.015 2.168 4.103 523 2HB LYS 65 2HB LYS 65 -11.753 2.434 4.072 524 1HG LYS 65 1HG LYS 65 -12.159 0.329 3.091 525 2HG LYS 65 2HG LYS 65 -10.453 0.100 2.699 526 1HD LYS 65 1HD LYS 65 -9.906 -0.070 5.057 527 2HD LYS 65 2HD LYS 65 -11.585 0.256 5.493 528 1HE LYS 65 1HE LYS 65 -11.354 -2.074 5.658 529 2HE LYS 65 2HE LYS 65 -12.173 -1.805 4.120 530 1HZ LYS 65 1HZ LYS 65 -9.236 -2.107 4.289 531 2HZ LYS 65 2HZ LYS 65 -10.231 -2.264 2.930 532 3HZ LYS 65 3HZ LYS 65 -10.260 -3.446 4.141 533 HA PRO 66 HA PRO 66 -11.862 6.737 1.710 534 1HB PRO 66 1HB PRO 66 -14.485 6.965 2.372 535 2HB PRO 66 2HB PRO 66 -13.940 6.486 0.760 536 1HG PRO 66 1HG PRO 66 -14.908 4.775 3.018 537 2HG PRO 66 2HG PRO 66 -15.288 4.667 1.289 538 1HD PRO 66 1HD PRO 66 -13.475 3.051 2.487 539 2HD PRO 66 2HD PRO 66 -13.319 3.573 0.797 540 H SER 67 H SER 67 -13.314 4.917 4.397 541 HA SER 67 HA SER 67 -13.474 7.021 6.233 542 1HB SER 67 1HB SER 67 -13.501 5.222 7.968 543 2HB SER 67 2HB SER 67 -14.630 4.935 6.645 544 HG SER 67 HG SER 67 -12.050 3.874 6.447 545 H GLY 68 H GLY 68 -12.167 6.857 8.407 546 1HA GLY 68 1HA GLY 68 -9.734 6.074 8.961 547 2HA GLY 68 2HA GLY 68 -9.354 7.166 7.637 548 HA PRO 69 HA PRO 69 -9.633 9.384 11.827 549 1HB PRO 69 1HB PRO 69 -6.982 9.854 12.175 550 2HB PRO 69 2HB PRO 69 -7.790 8.408 12.791 551 1HG PRO 69 1HG PRO 69 -6.149 8.748 10.311 552 2HG PRO 69 2HG PRO 69 -6.135 7.423 11.489 553 1HD PRO 69 1HD PRO 69 -7.424 7.248 9.114 554 2HD PRO 69 2HD PRO 69 -8.003 6.426 10.578 555 H SER 70 H SER 70 -8.396 9.848 8.692 556 HA SER 70 HA SER 70 -7.271 12.339 8.659 557 1HB SER 70 1HB SER 70 -7.441 11.091 6.618 558 2HB SER 70 2HB SER 70 -9.203 11.103 6.689 559 HG SER 70 HG SER 70 -7.435 13.212 6.087 560 H SER 71 H SER 71 -7.889 14.250 9.393 561 HA SER 71 HA SER 71 -10.595 15.193 9.013 562 1HB SER 71 1HB SER 71 -10.557 13.874 11.207 563 2HB SER 71 2HB SER 71 -9.528 15.160 11.836 564 HG SER 71 HG SER 71 -11.409 16.507 10.863 565 H GLY 72 H GLY 72 -10.809 17.455 9.283 566 1HA GLY 72 1HA GLY 72 -10.059 19.640 9.606 567 2HA GLY 72 2HA GLY 72 -8.487 19.006 10.070 Start of MODEL 15 1 1H GLY 1 H GLY 1 -9.861 -0.851 30.465 2 1HA GLY 1 1HA GLY 1 -9.212 -2.899 28.435 3 2HA GLY 1 2HA GLY 1 -10.849 -2.304 28.670 4 H SER 2 H SER 2 -10.645 0.345 28.801 5 HA SER 2 HA SER 2 -10.526 1.235 26.228 6 1HB SER 2 1HB SER 2 -10.179 3.530 27.186 7 2HB SER 2 2HB SER 2 -11.479 2.620 27.956 8 HG SER 2 HG SER 2 -9.538 1.983 29.417 9 H SER 3 H SER 3 -9.021 2.288 24.921 10 HA SER 3 HA SER 3 -6.213 1.795 25.663 11 1HB SER 3 1HB SER 3 -5.733 1.646 23.270 12 2HB SER 3 2HB SER 3 -7.008 0.509 23.705 13 HG SER 3 HG SER 3 -7.514 1.677 21.805 14 H GLY 4 H GLY 4 -7.429 4.101 26.607 15 1HA GLY 4 1HA GLY 4 -6.310 6.227 26.781 16 2HA GLY 4 2HA GLY 4 -5.974 6.141 25.058 17 H SER 5 H SER 5 -7.048 8.418 26.134 18 HA SER 5 HA SER 5 -9.529 8.595 24.667 19 1HB SER 5 1HB SER 5 -9.429 8.763 27.657 20 2HB SER 5 2HB SER 5 -10.573 9.775 26.774 21 HG SER 5 HG SER 5 -10.412 6.957 26.871 22 H SER 6 H SER 6 -10.148 10.745 24.201 23 HA SER 6 HA SER 6 -9.572 12.829 23.439 24 1HB SER 6 1HB SER 6 -8.929 13.000 26.389 25 2HB SER 6 2HB SER 6 -8.981 14.404 25.324 26 HG SER 6 HG SER 6 -10.983 13.468 26.592 27 H GLY 7 H GLY 7 -7.595 11.105 22.730 28 1HA GLY 7 1HA GLY 7 -5.020 12.058 23.617 29 2HA GLY 7 2HA GLY 7 -5.318 10.874 22.354 30 H GLY 8 H GLY 8 -6.187 11.762 20.273 31 1HA GLY 8 1HA GLY 8 -6.419 14.111 19.197 32 2HA GLY 8 2HA GLY 8 -4.727 14.237 19.654 33 H ILE 9 H ILE 9 -4.718 14.627 17.217 34 HA ILE 9 HA ILE 9 -4.037 12.083 15.935 35 HB ILE 9 HB ILE 9 -5.207 12.535 13.933 36 1HG1 ILE 9 1HG1 ILE 9 -4.838 14.879 13.647 37 2HG1 ILE 9 2HG1 ILE 9 -6.581 14.641 13.683 38 1HG2 ILE 9 1HG2 ILE 9 -7.602 13.045 14.871 39 2HG2 ILE 9 2HG2 ILE 9 -6.768 11.552 15.296 40 3HG2 ILE 9 3HG2 ILE 9 -6.790 12.902 16.430 41 1HD1 ILE 9 1HD1 ILE 9 -4.802 15.936 15.680 42 2HD1 ILE 9 2HD1 ILE 9 -6.355 16.467 15.034 43 3HD1 ILE 9 3HD1 ILE 9 -6.294 15.170 16.226 44 H LYS 10 H LYS 10 -3.028 12.637 13.665 45 HA LYS 10 HA LYS 10 -1.222 14.939 14.017 46 1HB LYS 10 1HB LYS 10 0.531 13.584 12.887 47 2HB LYS 10 2HB LYS 10 0.034 12.924 14.440 48 1HG LYS 10 1HG LYS 10 -1.324 11.918 12.000 49 2HG LYS 10 2HG LYS 10 0.335 11.400 12.310 50 1HD LYS 10 1HD LYS 10 -0.411 10.732 14.614 51 2HD LYS 10 2HD LYS 10 -2.069 11.048 14.095 52 1HE LYS 10 1HE LYS 10 -1.804 8.753 13.769 53 2HE LYS 10 2HE LYS 10 -1.562 9.440 12.163 54 1HZ LYS 10 1HZ LYS 10 0.728 9.111 12.290 55 2HZ LYS 10 2HZ LYS 10 0.084 7.693 12.950 56 3HZ LYS 10 3HZ LYS 10 0.714 8.890 13.967 57 H ASP 11 H ASP 11 -0.204 15.656 11.943 58 HA ASP 11 HA ASP 11 -2.150 16.349 10.065 59 1HB ASP 11 1HB ASP 11 -0.406 17.352 8.809 60 2HB ASP 11 2HB ASP 11 0.085 17.488 10.495 61 H SER 12 H SER 12 -2.680 15.602 8.038 62 HA SER 12 HA SER 12 -2.449 12.813 7.601 63 1HB SER 12 1HB SER 12 -3.589 15.113 6.062 64 2HB SER 12 2HB SER 12 -3.373 13.565 5.246 65 HG SER 12 HG SER 12 -4.590 13.537 7.752 66 HA PRO 13 HA PRO 13 1.263 12.419 5.295 67 1HB PRO 13 1HB PRO 13 0.611 10.417 3.582 68 2HB PRO 13 2HB PRO 13 0.889 10.153 5.308 69 1HG PRO 13 1HG PRO 13 -1.697 10.439 3.828 70 2HG PRO 13 2HG PRO 13 -1.261 9.290 5.107 71 1HD PRO 13 1HD PRO 13 -2.724 11.518 5.586 72 2HD PRO 13 2HD PRO 13 -1.607 10.833 6.784 73 H VAL 14 H VAL 14 2.221 12.652 3.177 74 HA VAL 14 HA VAL 14 1.095 14.716 1.646 75 HB VAL 14 HB VAL 14 2.900 14.337 0.053 76 1HG1 VAL 14 1HG1 VAL 14 4.831 14.359 1.715 77 2HG1 VAL 14 2HG1 VAL 14 3.579 15.585 1.924 78 3HG1 VAL 14 3HG1 VAL 14 3.606 14.163 2.967 79 1HG2 VAL 14 1HG2 VAL 14 2.826 11.660 1.201 80 2HG2 VAL 14 2HG2 VAL 14 3.443 12.206 -0.358 81 3HG2 VAL 14 3HG2 VAL 14 4.458 12.317 1.080 82 H ASN 15 H ASN 15 0.837 14.519 -0.808 83 HA ASN 15 HA ASN 15 -1.420 13.048 -1.411 84 1HB ASN 15 1HB ASN 15 -0.371 14.997 -2.705 85 2HB ASN 15 2HB ASN 15 0.630 13.783 -3.495 86 1HD2 ASN 15 1HD2 ASN 15 -1.681 15.625 -4.297 87 2HD2 ASN 15 2HD2 ASN 15 -2.734 14.580 -5.183 88 H LYS 16 H LYS 16 1.973 12.218 -1.982 89 HA LYS 16 HA LYS 16 1.118 9.495 -2.714 90 1HB LYS 16 1HB LYS 16 2.399 10.790 -4.442 91 2HB LYS 16 2HB LYS 16 3.767 10.808 -3.338 92 1HG LYS 16 1HG LYS 16 3.748 8.324 -3.365 93 2HG LYS 16 2HG LYS 16 2.486 8.394 -4.598 94 1HD LYS 16 1HD LYS 16 5.089 9.839 -4.961 95 2HD LYS 16 2HD LYS 16 4.937 8.125 -5.355 96 1HE LYS 16 1HE LYS 16 2.893 8.839 -6.739 97 2HE LYS 16 2HE LYS 16 3.533 10.474 -6.587 98 1HZ LYS 16 1HZ LYS 16 5.653 8.872 -7.358 99 2HZ LYS 16 2HZ LYS 16 4.844 10.023 -8.296 100 3HZ LYS 16 3HZ LYS 16 4.350 8.405 -8.331 101 H VAL 17 H VAL 17 1.129 8.357 -0.859 102 HA VAL 17 HA VAL 17 2.393 8.622 1.467 103 HB VAL 17 HB VAL 17 1.088 6.722 1.396 104 1HG1 VAL 17 1HG1 VAL 17 2.040 6.541 -1.284 105 2HG1 VAL 17 2HG1 VAL 17 2.228 4.968 -0.506 106 3HG1 VAL 17 3HG1 VAL 17 0.647 5.749 -0.549 107 1HG2 VAL 17 1HG2 VAL 17 3.597 5.181 1.052 108 2HG2 VAL 17 2HG2 VAL 17 3.566 6.412 2.315 109 3HG2 VAL 17 3HG2 VAL 17 2.385 5.102 2.331 110 H GLU 18 H GLU 18 3.904 6.553 -1.017 111 HA GLU 18 HA GLU 18 6.490 7.764 -0.518 112 1HB GLU 18 1HB GLU 18 5.732 5.069 0.470 113 2HB GLU 18 2HB GLU 18 7.317 5.223 -0.274 114 1HG GLU 18 1HG GLU 18 8.131 6.542 1.391 115 2HG GLU 18 2HG GLU 18 6.552 7.227 1.773 116 HA PRO 19 HA PRO 19 7.282 6.714 -4.702 117 1HB PRO 19 1HB PRO 19 9.922 6.084 -4.679 118 2HB PRO 19 2HB PRO 19 9.328 7.737 -4.482 119 1HG PRO 19 1HG PRO 19 10.225 5.785 -2.397 120 2HG PRO 19 2HG PRO 19 10.574 7.519 -2.531 121 1HD PRO 19 1HD PRO 19 8.687 6.538 -0.856 122 2HD PRO 19 2HD PRO 19 8.539 8.126 -1.636 123 H ASN 20 H ASN 20 7.122 4.391 -2.390 124 HA ASN 20 HA ASN 20 8.172 2.174 -3.922 125 1HB ASN 20 1HB ASN 20 6.876 2.485 -1.241 126 2HB ASN 20 2HB ASN 20 6.938 0.891 -1.985 127 1HD2 ASN 20 1HD2 ASN 20 9.273 3.544 -2.046 128 2HD2 ASN 20 2HD2 ASN 20 10.567 2.654 -1.324 129 H ASP 21 H ASP 21 5.910 3.873 -4.925 130 HA ASP 21 HA ASP 21 3.429 2.805 -4.864 131 1HB ASP 21 1HB ASP 21 3.707 4.667 -6.263 132 2HB ASP 21 2HB ASP 21 5.009 3.905 -7.172 133 H THR 22 H THR 22 6.171 1.519 -6.693 134 HA THR 22 HA THR 22 5.194 -0.378 -8.284 135 HB THR 22 HB THR 22 7.461 -0.669 -6.319 136 HG1 THR 22 1HG THR 22 8.668 -0.398 -8.271 137 1HG2 THR 22 1HG2 THR 22 7.493 -2.869 -6.688 138 2HG2 THR 22 2HG2 THR 22 7.821 -2.523 -8.386 139 3HG2 THR 22 3HG2 THR 22 6.161 -2.747 -7.836 140 H LEU 23 H LEU 23 5.231 -0.603 -4.759 141 HA LEU 23 HA LEU 23 4.318 -3.252 -4.542 142 1HB LEU 23 1HB LEU 23 4.227 -0.870 -2.730 143 2HB LEU 23 2HB LEU 23 3.434 -2.377 -2.275 144 HG LEU 23 HG LEU 23 5.493 -3.536 -2.161 145 1HD1 LEU 23 1HD1 LEU 23 7.632 -2.511 -2.800 146 2HD1 LEU 23 2HD1 LEU 23 6.763 -1.103 -3.408 147 3HD1 LEU 23 3HD1 LEU 23 6.535 -2.676 -4.171 148 1HD2 LEU 23 1HD2 LEU 23 6.148 -2.625 -0.231 149 2HD2 LEU 23 2HD2 LEU 23 4.922 -1.395 -0.539 150 3HD2 LEU 23 3HD2 LEU 23 6.600 -1.103 -0.999 151 H GLU 24 H GLU 24 2.526 -0.177 -4.447 152 HA GLU 24 HA GLU 24 -0.002 -0.867 -3.962 153 1HB GLU 24 1HB GLU 24 0.533 1.385 -4.613 154 2HB GLU 24 2HB GLU 24 0.955 0.868 -6.240 155 1HG GLU 24 1HG GLU 24 -1.290 0.442 -6.800 156 2HG GLU 24 2HG GLU 24 -1.807 0.536 -5.117 157 H LYS 25 H LYS 25 1.708 -1.612 -6.954 158 HA LYS 25 HA LYS 25 -0.539 -2.739 -8.291 159 1HB LYS 25 1HB LYS 25 1.602 -1.867 -9.355 160 2HB LYS 25 2HB LYS 25 2.358 -3.370 -8.843 161 1HG LYS 25 1HG LYS 25 1.179 -4.638 -10.346 162 2HG LYS 25 2HG LYS 25 -0.157 -3.487 -10.433 163 1HD LYS 25 1HD LYS 25 2.521 -2.624 -11.405 164 2HD LYS 25 2HD LYS 25 1.584 -3.737 -12.406 165 1HE LYS 25 1HE LYS 25 0.491 -1.146 -11.327 166 2HE LYS 25 2HE LYS 25 1.262 -1.291 -12.906 167 1HZ LYS 25 1HZ LYS 25 -0.527 -2.286 -13.775 168 2HZ LYS 25 2HZ LYS 25 -1.361 -1.623 -12.461 169 3HZ LYS 25 3HZ LYS 25 -0.823 -3.226 -12.400 170 H VAL 26 H VAL 26 2.416 -4.393 -7.167 171 HA VAL 26 HA VAL 26 1.606 -6.981 -7.332 172 HB VAL 26 HB VAL 26 3.815 -5.863 -6.356 173 1HG1 VAL 26 1HG1 VAL 26 2.649 -5.181 -4.264 174 2HG1 VAL 26 2HG1 VAL 26 2.458 -6.891 -3.868 175 3HG1 VAL 26 3HG1 VAL 26 4.071 -6.188 -3.995 176 1HG2 VAL 26 1HG2 VAL 26 3.555 -8.178 -7.139 177 2HG2 VAL 26 2HG2 VAL 26 4.548 -8.081 -5.684 178 3HG2 VAL 26 3HG2 VAL 26 2.873 -8.621 -5.574 179 H PHE 27 H PHE 27 0.827 -4.699 -4.755 180 HA PHE 27 HA PHE 27 -0.332 -6.423 -2.918 181 1HB PHE 27 1HB PHE 27 -0.011 -4.188 -2.231 182 2HB PHE 27 2HB PHE 27 -0.895 -3.548 -3.613 183 HD1 PHE 27 1HD PHE 27 -1.167 -5.043 -0.294 184 HD2 PHE 27 2HD PHE 27 -3.315 -3.518 -3.638 185 HE1 PHE 27 1HE PHE 27 -3.213 -4.946 1.069 186 HE2 PHE 27 2HE PHE 27 -5.364 -3.418 -2.280 187 HZ PHE 27 HZ PHE 27 -5.315 -4.132 0.077 188 H VAL 28 H VAL 28 -1.803 -4.827 -5.720 189 HA VAL 28 HA VAL 28 -4.215 -6.466 -5.331 190 HB VAL 28 HB VAL 28 -4.503 -3.981 -5.468 191 1HG1 VAL 28 1HG1 VAL 28 -3.218 -2.965 -6.997 192 2HG1 VAL 28 2HG1 VAL 28 -3.040 -4.432 -7.962 193 3HG1 VAL 28 3HG1 VAL 28 -4.478 -3.426 -8.141 194 1HG2 VAL 28 1HG2 VAL 28 -6.027 -4.632 -7.785 195 2HG2 VAL 28 2HG2 VAL 28 -5.969 -6.046 -6.732 196 3HG2 VAL 28 3HG2 VAL 28 -6.563 -4.507 -6.109 197 H SER 29 H SER 29 -1.410 -6.703 -6.889 198 HA SER 29 HA SER 29 -2.544 -7.687 -9.412 199 1HB SER 29 1HB SER 29 0.117 -6.632 -8.602 200 2HB SER 29 2HB SER 29 0.093 -7.881 -9.848 201 HG SER 29 HG SER 29 -0.608 -6.448 -11.203 202 H VAL 30 H VAL 30 -0.278 -8.637 -6.842 203 HA VAL 30 HA VAL 30 -0.531 -11.433 -7.700 204 HB VAL 30 HB VAL 30 1.493 -11.902 -6.708 205 1HG1 VAL 30 1HG1 VAL 30 1.845 -10.312 -8.523 206 2HG1 VAL 30 2HG1 VAL 30 1.729 -8.970 -7.382 207 3HG1 VAL 30 3HG1 VAL 30 3.067 -10.114 -7.267 208 1HG2 VAL 30 1HG2 VAL 30 1.154 -9.478 -4.945 209 2HG2 VAL 30 2HG2 VAL 30 0.888 -11.154 -4.465 210 3HG2 VAL 30 3HG2 VAL 30 2.508 -10.606 -4.896 211 H THR 31 H THR 31 -0.735 -9.394 -4.800 212 HA THR 31 HA THR 31 -2.949 -10.767 -3.736 213 HB THR 31 HB THR 31 -1.302 -12.561 -3.337 214 HG1 THR 31 1HG THR 31 -2.018 -11.340 -0.870 215 1HG2 THR 31 1HG2 THR 31 0.103 -11.312 -1.148 216 2HG2 THR 31 2HG2 THR 31 0.399 -10.448 -2.657 217 3HG2 THR 31 3HG2 THR 31 0.747 -12.173 -2.546 218 H LYS 32 H LYS 32 -3.719 -9.839 -1.800 219 HA LYS 32 HA LYS 32 -2.938 -7.127 -1.410 220 1HB LYS 32 1HB LYS 32 -4.721 -8.718 0.426 221 2HB LYS 32 2HB LYS 32 -4.740 -6.985 0.128 222 1HG LYS 32 1HG LYS 32 -5.443 -9.066 -1.929 223 2HG LYS 32 2HG LYS 32 -6.617 -8.213 -0.924 224 1HD LYS 32 1HD LYS 32 -5.483 -6.074 -1.856 225 2HD LYS 32 2HD LYS 32 -4.869 -7.151 -3.113 226 1HE LYS 32 1HE LYS 32 -7.142 -7.809 -3.680 227 2HE LYS 32 2HE LYS 32 -7.776 -6.792 -2.387 228 1HZ LYS 32 1HZ LYS 32 -6.875 -6.061 -5.026 229 2HZ LYS 32 2HZ LYS 32 -6.283 -5.058 -3.801 230 3HZ LYS 32 3HZ LYS 32 -7.951 -5.266 -3.991 231 H TYR 33 H TYR 33 -2.573 -10.093 0.490 232 HA TYR 33 HA TYR 33 -0.713 -8.643 2.256 233 1HB TYR 33 1HB TYR 33 -2.666 -10.850 2.789 234 2HB TYR 33 2HB TYR 33 -1.224 -10.712 3.789 235 HD1 TYR 33 1HD TYR 33 -0.968 -8.897 5.358 236 HD2 TYR 33 2HD TYR 33 -4.389 -9.111 2.838 237 HE1 TYR 33 1HE TYR 33 -2.082 -7.194 6.738 238 HE2 TYR 33 2HE TYR 33 -5.513 -7.407 4.210 239 HH TYR 33 HH TYR 33 -4.122 -6.255 7.213 240 HA PRO 34 HA PRO 34 1.978 -11.508 -0.083 241 1HB PRO 34 1HB PRO 34 4.174 -9.922 0.108 242 2HB PRO 34 2HB PRO 34 2.934 -9.701 -1.132 243 1HG PRO 34 1HG PRO 34 3.312 -8.236 1.451 244 2HG PRO 34 2HG PRO 34 2.907 -7.592 -0.151 245 1HD PRO 34 1HD PRO 34 1.046 -7.977 1.777 246 2HD PRO 34 2HD PRO 34 0.680 -8.151 0.049 247 H ASP 35 H ASP 35 4.216 -12.335 0.539 248 HA ASP 35 HA ASP 35 4.426 -12.525 3.474 249 1HB ASP 35 1HB ASP 35 3.654 -14.594 2.040 250 2HB ASP 35 2HB ASP 35 5.376 -14.738 1.698 251 H GLU 36 H GLU 36 6.672 -13.366 4.132 252 HA GLU 36 HA GLU 36 8.590 -11.481 3.552 253 1HB GLU 36 1HB GLU 36 8.642 -13.082 5.466 254 2HB GLU 36 2HB GLU 36 9.145 -14.343 4.349 255 1HG GLU 36 1HG GLU 36 11.160 -13.696 5.201 256 2HG GLU 36 2HG GLU 36 11.061 -12.663 3.776 257 H LYS 37 H LYS 37 7.631 -14.178 1.665 258 HA LYS 37 HA LYS 37 10.010 -14.579 0.183 259 1HB LYS 37 1HB LYS 37 7.165 -15.088 -0.702 260 2HB LYS 37 2HB LYS 37 8.618 -15.807 -1.383 261 1HG LYS 37 1HG LYS 37 8.077 -16.190 1.514 262 2HG LYS 37 2HG LYS 37 7.121 -17.104 0.344 263 1HD LYS 37 1HD LYS 37 8.857 -18.558 0.611 264 2HD LYS 37 2HD LYS 37 9.523 -17.565 -0.688 265 1HE LYS 37 1HE LYS 37 10.391 -16.136 1.374 266 2HE LYS 37 2HE LYS 37 10.261 -17.694 2.187 267 1HZ LYS 37 1HZ LYS 37 12.119 -16.825 0.136 268 2HZ LYS 37 2HZ LYS 37 11.522 -18.396 -0.050 269 3HZ LYS 37 3HZ LYS 37 12.324 -17.960 1.375 270 H ARG 38 H ARG 38 7.294 -12.385 -0.161 271 HA ARG 38 HA ARG 38 8.193 -11.433 -2.744 272 1HB ARG 38 1HB ARG 38 5.741 -11.598 -1.777 273 2HB ARG 38 2HB ARG 38 6.123 -10.009 -1.128 274 1HG ARG 38 1HG ARG 38 6.157 -9.022 -3.178 275 2HG ARG 38 2HG ARG 38 6.671 -10.496 -4.001 276 1HD ARG 38 1HD ARG 38 3.939 -10.191 -2.785 277 2HD ARG 38 2HD ARG 38 4.296 -9.700 -4.440 278 HE ARG 38 HE ARG 38 3.849 -12.340 -3.523 279 1HH1 ARG 38 2HH1 ARG 38 5.796 -10.499 -5.746 280 2HH1 ARG 38 1HH1 ARG 38 6.019 -11.818 -6.846 281 1HH2 ARG 38 2HH2 ARG 38 4.136 -14.085 -4.964 282 2HH2 ARG 38 1HH2 ARG 38 5.074 -13.857 -6.401 283 H LEU 39 H LEU 39 8.212 -10.367 0.610 284 HA LEU 39 HA LEU 39 9.081 -7.730 0.190 285 1HB LEU 39 1HB LEU 39 9.206 -9.643 2.478 286 2HB LEU 39 2HB LEU 39 10.097 -8.125 2.570 287 HG LEU 39 HG LEU 39 8.004 -7.858 3.700 288 1HD1 LEU 39 1HD1 LEU 39 8.912 -6.187 1.763 289 2HD1 LEU 39 2HD1 LEU 39 7.578 -5.825 2.858 290 3HD1 LEU 39 3HD1 LEU 39 7.247 -6.450 1.243 291 1HD2 LEU 39 1HD2 LEU 39 6.936 -9.748 2.289 292 2HD2 LEU 39 2HD2 LEU 39 6.482 -8.444 1.191 293 3HD2 LEU 39 3HD2 LEU 39 5.920 -8.425 2.863 294 H LYS 40 H LYS 40 10.882 -10.740 0.667 295 HA LYS 40 HA LYS 40 13.451 -9.776 0.890 296 1HB LYS 40 1HB LYS 40 14.148 -11.929 -0.227 297 2HB LYS 40 2HB LYS 40 13.074 -12.111 1.153 298 1HG LYS 40 1HG LYS 40 11.251 -12.676 -0.188 299 2HG LYS 40 2HG LYS 40 12.011 -12.036 -1.647 300 1HD LYS 40 1HD LYS 40 13.380 -14.256 -0.222 301 2HD LYS 40 2HD LYS 40 11.918 -14.638 -1.135 302 1HE LYS 40 1HE LYS 40 13.105 -13.232 -3.007 303 2HE LYS 40 2HE LYS 40 14.559 -13.635 -2.096 304 1HZ LYS 40 1HZ LYS 40 12.968 -15.288 -3.807 305 2HZ LYS 40 2HZ LYS 40 13.231 -16.003 -2.298 306 3HZ LYS 40 3HZ LYS 40 14.547 -15.523 -3.246 307 H GLY 41 H GLY 41 11.528 -10.244 -2.039 308 1HA GLY 41 1HA GLY 41 13.629 -9.625 -3.858 309 2HA GLY 41 2HA GLY 41 11.910 -9.637 -4.225 310 H LEU 42 H LEU 42 10.799 -7.704 -2.841 311 HA LEU 42 HA LEU 42 11.452 -5.360 -4.166 312 1HB LEU 42 1HB LEU 42 9.976 -5.824 -1.588 313 2HB LEU 42 2HB LEU 42 10.119 -4.232 -2.330 314 HG LEU 42 HG LEU 42 8.945 -6.542 -3.841 315 1HD1 LEU 42 1HD1 LEU 42 7.520 -6.597 -2.024 316 2HD1 LEU 42 2HD1 LEU 42 6.721 -5.440 -3.089 317 3HD1 LEU 42 3HD1 LEU 42 7.671 -4.866 -1.719 318 1HD2 LEU 42 1HD2 LEU 42 7.693 -4.597 -4.882 319 2HD2 LEU 42 2HD2 LEU 42 9.420 -4.696 -5.225 320 3HD2 LEU 42 3HD2 LEU 42 8.822 -3.544 -4.030 321 H SER 43 H SER 43 12.490 -6.506 -0.992 322 HA SER 43 HA SER 43 13.646 -4.356 0.157 323 1HB SER 43 1HB SER 43 13.868 -6.368 1.340 324 2HB SER 43 2HB SER 43 14.602 -7.202 -0.030 325 HG SER 43 HG SER 43 15.776 -5.186 1.585 326 H LYS 44 H LYS 44 14.913 -6.146 -2.598 327 HA LYS 44 HA LYS 44 17.292 -4.485 -2.728 328 1HB LYS 44 1HB LYS 44 16.314 -6.929 -4.122 329 2HB LYS 44 2HB LYS 44 17.461 -5.907 -4.978 330 1HG LYS 44 1HG LYS 44 19.078 -6.156 -3.217 331 2HG LYS 44 2HG LYS 44 17.917 -7.045 -2.228 332 1HD LYS 44 1HD LYS 44 18.654 -8.023 -4.962 333 2HD LYS 44 2HD LYS 44 19.696 -8.360 -3.578 334 1HE LYS 44 1HE LYS 44 17.893 -9.478 -2.436 335 2HE LYS 44 2HE LYS 44 16.757 -9.025 -3.705 336 1HZ LYS 44 1HZ LYS 44 18.267 -11.326 -3.573 337 2HZ LYS 44 2HZ LYS 44 18.983 -10.402 -4.795 338 3HZ LYS 44 3HZ LYS 44 17.340 -10.792 -4.883 339 H GLN 45 H GLN 45 14.377 -5.089 -4.661 340 HA GLN 45 HA GLN 45 14.843 -3.485 -6.833 341 1HB GLN 45 1HB GLN 45 12.840 -4.891 -6.553 342 2HB GLN 45 2HB GLN 45 12.224 -3.766 -5.349 343 1HG GLN 45 1HG GLN 45 11.834 -2.098 -6.934 344 2HG GLN 45 2HG GLN 45 12.867 -2.873 -8.134 345 1HE2 GLN 45 1HE2 GLN 45 9.817 -3.134 -6.409 346 2HE2 GLN 45 2HE2 GLN 45 9.011 -4.090 -7.601 347 H LEU 46 H LEU 46 13.171 -2.429 -3.862 348 HA LEU 46 HA LEU 46 13.737 0.350 -4.596 349 1HB LEU 46 1HB LEU 46 11.929 -0.786 -2.468 350 2HB LEU 46 2HB LEU 46 12.120 0.927 -2.837 351 HG LEU 46 HG LEU 46 11.209 -0.941 -4.983 352 1HD1 LEU 46 1HD1 LEU 46 9.110 -1.193 -4.203 353 2HD1 LEU 46 2HD1 LEU 46 9.110 0.366 -3.380 354 3HD1 LEU 46 3HD1 LEU 46 9.899 -1.024 -2.635 355 1HD2 LEU 46 1HD2 LEU 46 11.699 1.769 -4.838 356 2HD2 LEU 46 2HD2 LEU 46 9.945 1.660 -4.685 357 3HD2 LEU 46 3HD2 LEU 46 10.755 0.946 -6.081 358 H ASP 47 H ASP 47 15.748 -1.529 -3.511 359 HA ASP 47 HA ASP 47 17.232 -1.750 -1.748 360 1HB ASP 47 1HB ASP 47 17.969 0.178 -3.215 361 2HB ASP 47 2HB ASP 47 17.260 1.258 -2.018 362 H TRP 48 H TRP 48 14.595 -1.717 -0.746 363 HA TRP 48 HA TRP 48 14.803 -0.058 1.669 364 1HB TRP 48 1HB TRP 48 12.527 -1.197 0.127 365 2HB TRP 48 2HB TRP 48 12.329 -1.054 1.871 366 HD1 TRP 48 HD TRP 48 14.393 1.635 0.195 367 HE1 TRP 48 1HE TRP 48 13.062 3.838 0.174 368 HE3 TRP 48 3HE TRP 48 9.855 -0.145 1.735 369 HZ2 TRP 48 2HZ TRP 48 10.435 4.706 0.736 370 HZ3 TRP 48 3HZ TRP 48 7.985 1.438 1.969 371 HH2 TRP 48 HH TRP 48 8.271 3.813 1.479 372 H SER 49 H SER 49 13.491 -1.279 3.556 373 HA SER 49 HA SER 49 14.910 -3.831 3.912 374 1HB SER 49 1HB SER 49 13.823 -1.896 5.971 375 2HB SER 49 2HB SER 49 14.606 -3.430 6.348 376 HG SER 49 HG SER 49 15.877 -1.309 6.253 377 H VAL 50 H VAL 50 13.842 -5.642 4.696 378 HA VAL 50 HA VAL 50 11.324 -6.211 3.786 379 HB VAL 50 HB VAL 50 12.949 -7.892 4.639 380 1HG1 VAL 50 1HG1 VAL 50 13.467 -8.169 6.832 381 2HG1 VAL 50 2HG1 VAL 50 13.109 -6.442 6.871 382 3HG1 VAL 50 3HG1 VAL 50 11.892 -7.608 7.391 383 1HG2 VAL 50 1HG2 VAL 50 10.060 -7.879 5.260 384 2HG2 VAL 50 2HG2 VAL 50 10.999 -8.978 4.250 385 3HG2 VAL 50 3HG2 VAL 50 11.021 -9.157 6.004 386 H ARG 51 H ARG 51 12.225 -4.717 6.832 387 HA ARG 51 HA ARG 51 9.578 -4.846 7.941 388 1HB ARG 51 1HB ARG 51 12.087 -3.385 8.756 389 2HB ARG 51 2HB ARG 51 10.571 -3.227 9.633 390 1HG ARG 51 1HG ARG 51 10.629 -5.415 10.389 391 2HG ARG 51 2HG ARG 51 11.749 -5.926 9.123 392 1HD ARG 51 1HD ARG 51 13.581 -4.949 10.184 393 2HD ARG 51 2HD ARG 51 12.566 -3.909 11.183 394 HE ARG 51 HE ARG 51 12.185 -6.702 11.709 395 1HH1 ARG 51 2HH1 ARG 51 14.144 -3.914 12.420 396 2HH1 ARG 51 1HH1 ARG 51 14.668 -4.512 13.960 397 1HH2 ARG 51 2HH2 ARG 51 12.867 -7.501 13.734 398 2HH2 ARG 51 1HH2 ARG 51 13.942 -6.553 14.705 399 H LYS 52 H LYS 52 11.633 -2.153 6.820 400 HA LYS 52 HA LYS 52 9.839 -0.088 7.020 401 1HB LYS 52 1HB LYS 52 12.293 -0.060 6.249 402 2HB LYS 52 2HB LYS 52 11.659 -0.361 4.637 403 1HG LYS 52 1HG LYS 52 10.334 1.696 4.783 404 2HG LYS 52 2HG LYS 52 11.009 2.003 6.385 405 1HD LYS 52 1HD LYS 52 13.297 1.761 5.126 406 2HD LYS 52 2HD LYS 52 12.321 2.147 3.707 407 1HE LYS 52 1HE LYS 52 11.566 4.203 4.769 408 2HE LYS 52 2HE LYS 52 12.480 3.806 6.223 409 1HZ LYS 52 1HZ LYS 52 14.453 4.307 5.233 410 2HZ LYS 52 2HZ LYS 52 13.455 5.389 4.400 411 3HZ LYS 52 3HZ LYS 52 13.916 3.933 3.673 412 H ILE 53 H ILE 53 10.213 -2.343 4.303 413 HA ILE 53 HA ILE 53 8.284 -1.204 2.619 414 HB ILE 53 HB ILE 53 9.082 -4.110 2.818 415 1HG1 ILE 53 1HG1 ILE 53 10.121 -2.039 0.886 416 2HG1 ILE 53 2HG1 ILE 53 10.917 -2.383 2.418 417 1HG2 ILE 53 1HG2 ILE 53 8.056 -2.773 0.350 418 2HG2 ILE 53 2HG2 ILE 53 8.079 -4.485 0.768 419 3HG2 ILE 53 3HG2 ILE 53 6.932 -3.401 1.555 420 1HD1 ILE 53 1HD1 ILE 53 12.070 -3.919 1.311 421 2HD1 ILE 53 2HD1 ILE 53 10.586 -4.872 1.281 422 3HD1 ILE 53 3HD1 ILE 53 10.994 -3.832 -0.084 423 H GLN 54 H GLN 54 7.954 -4.076 4.716 424 HA GLN 54 HA GLN 54 5.356 -4.711 4.416 425 1HB GLN 54 1HB GLN 54 7.013 -4.592 6.922 426 2HB GLN 54 2HB GLN 54 5.355 -5.178 6.955 427 1HG GLN 54 1HG GLN 54 7.271 -6.341 4.993 428 2HG GLN 54 2HG GLN 54 7.353 -6.833 6.684 429 1HE2 GLN 54 1HE2 GLN 54 6.736 -8.935 6.181 430 2HE2 GLN 54 2HE2 GLN 54 5.111 -9.338 5.755 431 H CYS 55 H CYS 55 6.529 -2.136 6.573 432 HA CYS 55 HA CYS 55 4.140 -1.288 7.640 433 1HB CYS 55 1HB CYS 55 6.421 -0.428 8.229 434 2HB CYS 55 2HB CYS 55 6.378 0.545 6.764 435 HG CYS 55 HG CYS 55 4.205 2.097 7.580 436 H TRP 56 H TRP 56 5.608 -0.301 4.564 437 HA TRP 56 HA TRP 56 3.792 1.630 3.781 438 1HB TRP 56 1HB TRP 56 5.894 1.066 2.576 439 2HB TRP 56 2HB TRP 56 5.123 -0.398 1.972 440 HD1 TRP 56 HD TRP 56 5.321 3.335 1.379 441 HE1 TRP 56 1HE TRP 56 4.011 3.924 -0.758 442 HE3 TRP 56 3HE TRP 56 3.037 -1.165 0.561 443 HZ2 TRP 56 2HZ TRP 56 2.244 2.649 -2.552 444 HZ3 TRP 56 3HZ TRP 56 1.552 -1.397 -1.388 445 HH2 TRP 56 HH TRP 56 1.165 0.472 -2.910 446 H PHE 57 H PHE 57 3.682 -1.844 2.975 447 HA PHE 57 HA PHE 57 1.356 -1.956 1.555 448 1HB PHE 57 1HB PHE 57 2.725 -3.851 3.396 449 2HB PHE 57 2HB PHE 57 1.076 -4.241 2.917 450 HD1 PHE 57 1HD PHE 57 4.505 -3.695 1.711 451 HD2 PHE 57 2HD PHE 57 0.566 -4.954 0.703 452 HE1 PHE 57 1HE PHE 57 5.347 -4.622 -0.407 453 HE2 PHE 57 2HE PHE 57 1.401 -5.884 -1.416 454 HZ PHE 57 HZ PHE 57 3.795 -5.719 -1.973 455 H ARG 58 H ARG 58 1.614 -2.195 5.100 456 HA ARG 58 HA ARG 58 -1.062 -2.448 5.720 457 1HB ARG 58 1HB ARG 58 1.146 -1.026 7.208 458 2HB ARG 58 2HB ARG 58 -0.454 -1.292 7.887 459 1HG ARG 58 1HG ARG 58 -0.048 -3.770 7.400 460 2HG ARG 58 2HG ARG 58 1.643 -3.313 7.188 461 1HD ARG 58 1HD ARG 58 0.047 -2.639 9.649 462 2HD ARG 58 2HD ARG 58 0.997 -4.116 9.491 463 HE ARG 58 HE ARG 58 2.531 -1.773 8.931 464 1HH1 ARG 58 2HH1 ARG 58 1.268 -3.765 11.491 465 2HH1 ARG 58 1HH1 ARG 58 2.495 -3.311 12.627 466 1HH2 ARG 58 2HH2 ARG 58 4.152 -1.167 10.416 467 2HH2 ARG 58 1HH2 ARG 58 4.135 -1.833 12.014 468 H HIS 59 H HIS 59 0.770 0.469 4.973 469 HA HIS 59 HA HIS 59 -1.264 2.320 5.643 470 1HB HIS 59 1HB HIS 59 1.018 3.074 5.454 471 2HB HIS 59 2HB HIS 59 1.103 2.544 3.776 472 HD1 HIS 59 1HD HIS 59 0.124 5.386 5.897 473 HD2 HIS 59 2HD HIS 59 -0.411 4.179 1.958 474 HE1 HIS 59 1HE HIS 59 -0.664 7.433 4.668 475 HE2 HIS 59 2HE HIS 59 -1.063 6.658 2.305 476 H ARG 60 H ARG 60 -0.282 0.874 2.548 477 HA ARG 60 HA ARG 60 -1.871 2.132 0.759 478 1HB ARG 60 1HB ARG 60 -0.389 0.333 0.099 479 2HB ARG 60 2HB ARG 60 -1.377 -0.842 0.957 480 1HG ARG 60 1HG ARG 60 -1.917 -1.096 -1.310 481 2HG ARG 60 2HG ARG 60 -3.260 -0.193 -0.606 482 1HD ARG 60 1HD ARG 60 -1.766 1.868 -1.358 483 2HD ARG 60 2HD ARG 60 -1.166 0.685 -2.520 484 HE ARG 60 HE ARG 60 -3.649 2.026 -2.620 485 1HH1 ARG 60 2HH1 ARG 60 -2.207 -1.089 -3.200 486 2HH1 ARG 60 1HH1 ARG 60 -3.370 -1.550 -4.398 487 1HH2 ARG 60 2HH2 ARG 60 -5.187 1.430 -4.196 488 2HH2 ARG 60 1HH2 ARG 60 -5.065 -0.116 -4.964 489 H ARG 61 H ARG 61 -2.956 -0.848 2.399 490 HA ARG 61 HA ARG 61 -5.518 -1.034 1.668 491 1HB ARG 61 1HB ARG 61 -4.181 -1.490 4.287 492 2HB ARG 61 2HB ARG 61 -5.939 -1.540 4.253 493 1HG ARG 61 1HG ARG 61 -5.586 -3.161 2.251 494 2HG ARG 61 2HG ARG 61 -3.968 -3.345 2.931 495 1HD ARG 61 1HD ARG 61 -5.263 -5.067 3.887 496 2HD ARG 61 2HD ARG 61 -5.101 -3.837 5.140 497 HE ARG 61 HE ARG 61 -7.472 -3.455 3.622 498 1HH1 ARG 61 2HH1 ARG 61 -6.076 -5.414 6.138 499 2HH1 ARG 61 1HH1 ARG 61 -7.599 -5.780 6.878 500 1HH2 ARG 61 2HH2 ARG 61 -9.483 -3.930 4.586 501 2HH2 ARG 61 1HH2 ARG 61 -9.537 -4.937 5.993 502 H ASN 62 H ASN 62 -4.551 0.981 4.452 503 HA ASN 62 HA ASN 62 -6.973 2.150 5.008 504 1HB ASN 62 1HB ASN 62 -4.151 3.144 5.266 505 2HB ASN 62 2HB ASN 62 -5.503 4.184 5.706 506 1HD2 ASN 62 1HD2 ASN 62 -3.326 2.827 7.263 507 2HD2 ASN 62 2HD2 ASN 62 -4.156 1.996 8.530 508 H GLN 63 H GLN 63 -4.557 3.209 2.638 509 HA GLN 63 HA GLN 63 -5.902 5.538 1.809 510 1HB GLN 63 1HB GLN 63 -3.468 4.627 1.325 511 2HB GLN 63 2HB GLN 63 -4.236 3.982 -0.120 512 1HG GLN 63 1HG GLN 63 -3.190 6.155 -0.517 513 2HG GLN 63 2HG GLN 63 -4.932 6.196 -0.784 514 1HE2 GLN 63 1HE2 GLN 63 -2.298 7.440 1.001 515 2HE2 GLN 63 2HE2 GLN 63 -3.188 8.555 1.975 516 H ASP 64 H ASP 64 -6.062 2.192 0.703 517 HA ASP 64 HA ASP 64 -7.694 2.669 -1.558 518 1HB ASP 64 1HB ASP 64 -6.335 0.573 -1.021 519 2HB ASP 64 2HB ASP 64 -7.661 0.115 0.045 520 H LYS 65 H LYS 65 -8.463 1.653 1.759 521 HA LYS 65 HA LYS 65 -11.215 1.361 1.470 522 1HB LYS 65 1HB LYS 65 -9.788 2.403 3.922 523 2HB LYS 65 2HB LYS 65 -11.357 1.610 3.874 524 1HG LYS 65 1HG LYS 65 -8.918 0.194 2.883 525 2HG LYS 65 2HG LYS 65 -9.280 0.266 4.610 526 1HD LYS 65 1HD LYS 65 -10.385 -1.658 4.093 527 2HD LYS 65 2HD LYS 65 -11.673 -0.502 3.747 528 1HE LYS 65 1HE LYS 65 -11.734 -1.704 1.814 529 2HE LYS 65 2HE LYS 65 -10.523 -0.506 1.359 530 1HZ LYS 65 1HZ LYS 65 -10.014 -3.269 2.319 531 2HZ LYS 65 2HZ LYS 65 -8.805 -2.117 2.051 532 3HZ LYS 65 3HZ LYS 65 -9.745 -2.671 0.759 533 HA PRO 66 HA PRO 66 -12.572 5.501 0.704 534 1HB PRO 66 1HB PRO 66 -15.220 5.085 1.136 535 2HB PRO 66 2HB PRO 66 -14.388 4.541 -0.326 536 1HG PRO 66 1HG PRO 66 -15.122 2.987 2.126 537 2HG PRO 66 2HG PRO 66 -15.260 2.519 0.421 538 1HD PRO 66 1HD PRO 66 -13.234 1.671 2.005 539 2HD PRO 66 2HD PRO 66 -13.031 1.955 0.264 540 H SER 67 H SER 67 -14.060 3.834 3.490 541 HA SER 67 HA SER 67 -14.878 4.718 5.460 542 1HB SER 67 1HB SER 67 -12.013 5.685 5.363 543 2HB SER 67 2HB SER 67 -13.011 5.709 6.816 544 HG SER 67 HG SER 67 -13.284 3.312 6.061 545 H GLY 68 H GLY 68 -15.967 6.268 3.593 546 1HA GLY 68 1HA GLY 68 -16.539 8.663 4.878 547 2HA GLY 68 2HA GLY 68 -15.271 9.018 3.714 548 HA PRO 69 HA PRO 69 -19.266 7.588 1.326 549 1HB PRO 69 1HB PRO 69 -21.574 7.941 2.712 550 2HB PRO 69 2HB PRO 69 -20.668 6.423 2.724 551 1HG PRO 69 1HG PRO 69 -20.697 8.628 4.748 552 2HG PRO 69 2HG PRO 69 -20.735 6.874 5.005 553 1HD PRO 69 1HD PRO 69 -18.473 8.338 5.277 554 2HD PRO 69 2HD PRO 69 -18.459 6.655 4.710 555 H SER 70 H SER 70 -20.033 9.053 -0.083 556 HA SER 70 HA SER 70 -20.895 11.676 0.883 557 1HB SER 70 1HB SER 70 -18.553 12.007 0.325 558 2HB SER 70 2HB SER 70 -18.790 11.250 -1.250 559 HG SER 70 HG SER 70 -18.936 13.754 -0.809 560 H SER 71 H SER 71 -21.960 12.956 -0.866 561 HA SER 71 HA SER 71 -24.140 11.802 -1.923 562 1HB SER 71 1HB SER 71 -23.968 14.157 -2.106 563 2HB SER 71 2HB SER 71 -22.480 14.056 -3.048 564 HG SER 71 HG SER 71 -25.131 13.682 -3.845 565 H GLY 72 H GLY 72 -24.698 10.472 -3.551 566 1HA GLY 72 1HA GLY 72 -24.401 9.628 -5.789 567 2HA GLY 72 2HA GLY 72 -22.668 9.850 -5.594 Start of MODEL 16 1 1H GLY 1 H GLY 1 4.036 -0.624 17.788 2 1HA GLY 1 1HA GLY 1 6.686 -0.755 18.233 3 2HA GLY 1 2HA GLY 1 6.577 0.607 17.128 4 H SER 2 H SER 2 7.551 1.726 19.012 5 HA SER 2 HA SER 2 5.755 2.241 21.239 6 1HB SER 2 1HB SER 2 8.523 3.326 20.661 7 2HB SER 2 2HB SER 2 7.622 3.558 22.159 8 HG SER 2 HG SER 2 8.553 1.768 22.740 9 H SER 3 H SER 3 7.460 4.178 18.780 10 HA SER 3 HA SER 3 7.117 6.346 18.097 11 1HB SER 3 1HB SER 3 4.969 6.644 17.006 12 2HB SER 3 2HB SER 3 5.507 4.982 16.766 13 HG SER 3 HG SER 3 3.229 5.776 17.782 14 H GLY 4 H GLY 4 7.230 6.273 20.866 15 1HA GLY 4 1HA GLY 4 4.991 7.922 21.799 16 2HA GLY 4 2HA GLY 4 6.207 7.163 22.816 17 H SER 5 H SER 5 6.372 9.366 20.019 18 HA SER 5 HA SER 5 8.229 11.035 21.566 19 1HB SER 5 1HB SER 5 8.988 11.920 19.422 20 2HB SER 5 2HB SER 5 9.053 10.157 19.399 21 HG SER 5 HG SER 5 6.732 10.574 18.500 22 H SER 6 H SER 6 7.990 13.296 21.618 23 HA SER 6 HA SER 6 5.214 14.178 21.260 24 1HB SER 6 1HB SER 6 5.848 16.039 22.792 25 2HB SER 6 2HB SER 6 6.062 14.447 23.519 26 HG SER 6 HG SER 6 8.241 15.550 22.178 27 H GLY 7 H GLY 7 5.082 14.826 19.157 28 1HA GLY 7 1HA GLY 7 5.967 17.380 18.449 29 2HA GLY 7 2HA GLY 7 7.097 16.225 17.759 30 H GLY 8 H GLY 8 6.659 15.552 15.770 31 1HA GLY 8 1HA GLY 8 3.837 15.455 14.920 32 2HA GLY 8 2HA GLY 8 5.042 16.249 13.918 33 H ILE 9 H ILE 9 3.478 14.169 12.959 34 HA ILE 9 HA ILE 9 5.468 12.010 12.691 35 HB ILE 9 HB ILE 9 3.536 10.493 12.185 36 1HG1 ILE 9 1HG1 ILE 9 1.840 12.622 13.484 37 2HG1 ILE 9 2HG1 ILE 9 1.969 12.462 11.736 38 1HG2 ILE 9 1HG2 ILE 9 3.257 11.623 14.947 39 2HG2 ILE 9 2HG2 ILE 9 3.186 9.941 14.421 40 3HG2 ILE 9 3HG2 ILE 9 4.730 10.794 14.442 41 1HD1 ILE 9 1HD1 ILE 9 0.018 11.331 13.046 42 2HD1 ILE 9 2HD1 ILE 9 0.791 10.502 11.695 43 3HD1 ILE 9 3HD1 ILE 9 1.222 10.079 13.352 44 H LYS 10 H LYS 10 3.226 14.158 11.125 45 HA LYS 10 HA LYS 10 4.129 13.152 8.506 46 1HB LYS 10 1HB LYS 10 1.519 14.484 9.245 47 2HB LYS 10 2HB LYS 10 2.014 14.122 7.597 48 1HG LYS 10 1HG LYS 10 1.901 11.946 9.640 49 2HG LYS 10 2HG LYS 10 0.428 12.503 8.844 50 1HD LYS 10 1HD LYS 10 1.210 11.865 6.718 51 2HD LYS 10 2HD LYS 10 2.872 11.700 7.290 52 1HE LYS 10 1HE LYS 10 2.278 9.757 8.588 53 2HE LYS 10 2HE LYS 10 0.574 9.964 8.186 54 1HZ LYS 10 1HZ LYS 10 2.058 8.286 6.877 55 2HZ LYS 10 2HZ LYS 10 2.509 9.662 6.002 56 3HZ LYS 10 3HZ LYS 10 0.883 9.199 6.072 57 H ASP 11 H ASP 11 5.302 14.500 7.313 58 HA ASP 11 HA ASP 11 5.799 17.183 8.247 59 1HB ASP 11 1HB ASP 11 7.366 17.262 6.277 60 2HB ASP 11 2HB ASP 11 7.692 15.968 7.427 61 H SER 12 H SER 12 4.565 15.753 5.225 62 HA SER 12 HA SER 12 3.107 18.267 4.748 63 1HB SER 12 1HB SER 12 3.474 17.903 2.305 64 2HB SER 12 2HB SER 12 4.966 18.207 3.194 65 HG SER 12 HG SER 12 4.927 15.727 3.307 66 HA PRO 13 HA PRO 13 -0.482 15.739 4.451 67 1HB PRO 13 1HB PRO 13 -2.058 17.391 2.982 68 2HB PRO 13 2HB PRO 13 -1.686 17.682 4.685 69 1HG PRO 13 1HG PRO 13 -0.452 18.895 2.243 70 2HG PRO 13 2HG PRO 13 -0.934 19.678 3.759 71 1HD PRO 13 1HD PRO 13 1.635 19.022 3.211 72 2HD PRO 13 2HD PRO 13 0.977 19.006 4.860 73 H VAL 14 H VAL 14 1.658 16.095 2.041 74 HA VAL 14 HA VAL 14 0.584 15.714 -0.397 75 HB VAL 14 HB VAL 14 2.435 14.178 -0.947 76 1HG1 VAL 14 1HG1 VAL 14 2.776 16.756 0.429 77 2HG1 VAL 14 2HG1 VAL 14 4.241 15.786 0.261 78 3HG1 VAL 14 3HG1 VAL 14 3.314 16.240 -1.169 79 1HG2 VAL 14 1HG2 VAL 14 2.243 13.115 1.439 80 2HG2 VAL 14 2HG2 VAL 14 3.798 13.168 0.608 81 3HG2 VAL 14 3HG2 VAL 14 3.427 14.352 1.861 82 H ASN 15 H ASN 15 -0.361 14.093 -1.596 83 HA ASN 15 HA ASN 15 -1.873 12.152 -0.106 84 1HB ASN 15 1HB ASN 15 -1.679 12.622 -3.090 85 2HB ASN 15 2HB ASN 15 -2.852 11.573 -2.298 86 1HD2 ASN 15 1HD2 ASN 15 -4.717 12.423 -1.681 87 2HD2 ASN 15 2HD2 ASN 15 -5.079 14.111 -1.617 88 H LYS 16 H LYS 16 0.807 12.093 -2.406 89 HA LYS 16 HA LYS 16 0.969 9.304 -2.723 90 1HB LYS 16 1HB LYS 16 2.807 11.604 -3.170 91 2HB LYS 16 2HB LYS 16 3.512 9.994 -3.133 92 1HG LYS 16 1HG LYS 16 1.631 9.417 -4.829 93 2HG LYS 16 2HG LYS 16 1.569 11.165 -5.071 94 1HD LYS 16 1HD LYS 16 3.964 11.167 -5.600 95 2HD LYS 16 2HD LYS 16 4.014 9.418 -5.370 96 1HE LYS 16 1HE LYS 16 2.027 10.530 -7.282 97 2HE LYS 16 2HE LYS 16 3.722 10.508 -7.765 98 1HZ LYS 16 1HZ LYS 16 2.848 8.491 -8.508 99 2HZ LYS 16 2HZ LYS 16 1.985 8.216 -7.080 100 3HZ LYS 16 3HZ LYS 16 3.671 8.080 -7.089 101 H VAL 17 H VAL 17 1.007 8.031 -0.958 102 HA VAL 17 HA VAL 17 2.074 8.564 1.529 103 HB VAL 17 HB VAL 17 2.207 6.104 1.856 104 1HG1 VAL 17 1HG1 VAL 17 -0.142 5.712 1.723 105 2HG1 VAL 17 2HG1 VAL 17 0.090 7.423 2.085 106 3HG1 VAL 17 3HG1 VAL 17 -0.329 6.916 0.448 107 1HG2 VAL 17 1HG2 VAL 17 2.960 5.432 -0.338 108 2HG2 VAL 17 2HG2 VAL 17 1.425 4.641 0.021 109 3HG2 VAL 17 3HG2 VAL 17 1.470 6.028 -1.068 110 H GLU 18 H GLU 18 3.656 6.961 -1.221 111 HA GLU 18 HA GLU 18 6.207 7.996 -0.575 112 1HB GLU 18 1HB GLU 18 5.501 5.302 0.462 113 2HB GLU 18 2HB GLU 18 7.096 5.493 -0.253 114 1HG GLU 18 1HG GLU 18 7.123 7.622 1.333 115 2HG GLU 18 2HG GLU 18 5.982 6.631 2.240 116 HA PRO 19 HA PRO 19 7.043 6.862 -4.728 117 1HB PRO 19 1HB PRO 19 9.700 6.306 -4.676 118 2HB PRO 19 2HB PRO 19 9.058 7.947 -4.526 119 1HG PRO 19 1HG PRO 19 9.999 6.078 -2.385 120 2HG PRO 19 2HG PRO 19 10.300 7.816 -2.564 121 1HD PRO 19 1HD PRO 19 8.432 6.828 -0.872 122 2HD PRO 19 2HD PRO 19 8.244 8.389 -1.695 123 H ASN 20 H ASN 20 6.939 4.598 -2.354 124 HA ASN 20 HA ASN 20 8.057 2.371 -3.822 125 1HB ASN 20 1HB ASN 20 6.846 2.776 -1.135 126 2HB ASN 20 2HB ASN 20 6.748 1.159 -1.826 127 1HD2 ASN 20 1HD2 ASN 20 9.260 3.651 -1.988 128 2HD2 ASN 20 2HD2 ASN 20 10.519 2.668 -1.329 129 H ASP 21 H ASP 21 5.768 3.966 -4.900 130 HA ASP 21 HA ASP 21 3.314 2.808 -4.804 131 1HB ASP 21 1HB ASP 21 2.990 3.501 -7.144 132 2HB ASP 21 2HB ASP 21 3.814 4.747 -6.210 133 H THR 22 H THR 22 6.121 1.612 -6.586 134 HA THR 22 HA THR 22 5.230 -0.327 -8.184 135 HB THR 22 HB THR 22 7.491 -0.498 -6.202 136 HG1 THR 22 1HG THR 22 8.530 -0.516 -8.467 137 1HG2 THR 22 1HG2 THR 22 7.181 -2.759 -6.458 138 2HG2 THR 22 2HG2 THR 22 8.190 -2.424 -7.866 139 3HG2 THR 22 3HG2 THR 22 6.444 -2.588 -8.050 140 H LEU 23 H LEU 23 5.020 -0.391 -4.690 141 HA LEU 23 HA LEU 23 4.269 -3.122 -4.450 142 1HB LEU 23 1HB LEU 23 4.072 -0.728 -2.661 143 2HB LEU 23 2HB LEU 23 3.326 -2.258 -2.206 144 HG LEU 23 HG LEU 23 5.391 -3.328 -1.968 145 1HD1 LEU 23 1HD1 LEU 23 6.313 -2.469 -4.125 146 2HD1 LEU 23 2HD1 LEU 23 7.479 -2.540 -2.804 147 3HD1 LEU 23 3HD1 LEU 23 6.773 -0.994 -3.275 148 1HD2 LEU 23 1HD2 LEU 23 6.574 -0.876 -1.005 149 2HD2 LEU 23 2HD2 LEU 23 5.973 -2.267 -0.102 150 3HD2 LEU 23 3HD2 LEU 23 4.866 -0.977 -0.577 151 H GLU 24 H GLU 24 2.411 -0.092 -4.505 152 HA GLU 24 HA GLU 24 -0.118 -0.881 -4.036 153 1HB GLU 24 1HB GLU 24 0.885 1.380 -4.982 154 2HB GLU 24 2HB GLU 24 0.286 0.743 -6.508 155 1HG GLU 24 1HG GLU 24 -1.951 0.481 -5.420 156 2HG GLU 24 2HG GLU 24 -1.302 1.349 -4.030 157 H LYS 25 H LYS 25 1.659 -1.443 -7.039 158 HA LYS 25 HA LYS 25 -0.495 -2.619 -8.456 159 1HB LYS 25 1HB LYS 25 1.676 -1.686 -9.414 160 2HB LYS 25 2HB LYS 25 2.430 -3.195 -8.915 161 1HG LYS 25 1HG LYS 25 0.521 -4.300 -10.282 162 2HG LYS 25 2HG LYS 25 0.389 -2.711 -11.039 163 1HD LYS 25 1HD LYS 25 2.973 -2.943 -11.319 164 2HD LYS 25 2HD LYS 25 2.651 -4.665 -11.105 165 1HE LYS 25 1HE LYS 25 1.032 -4.564 -12.959 166 2HE LYS 25 2HE LYS 25 1.423 -2.861 -13.189 167 1HZ LYS 25 1HZ LYS 25 2.590 -4.636 -14.629 168 2HZ LYS 25 2HZ LYS 25 3.563 -4.881 -13.267 169 3HZ LYS 25 3HZ LYS 25 3.505 -3.358 -14.000 170 H VAL 26 H VAL 26 2.448 -4.248 -7.269 171 HA VAL 26 HA VAL 26 1.681 -6.844 -7.512 172 HB VAL 26 HB VAL 26 3.842 -5.701 -6.439 173 1HG1 VAL 26 1HG1 VAL 26 2.468 -6.878 -4.031 174 2HG1 VAL 26 2HG1 VAL 26 4.039 -6.078 -4.093 175 3HG1 VAL 26 3HG1 VAL 26 2.564 -5.148 -4.356 176 1HG2 VAL 26 1HG2 VAL 26 2.796 -8.417 -6.591 177 2HG2 VAL 26 2HG2 VAL 26 4.389 -7.791 -7.017 178 3HG2 VAL 26 3HG2 VAL 26 4.027 -8.215 -5.344 179 H PHE 27 H PHE 27 0.761 -4.608 -4.949 180 HA PHE 27 HA PHE 27 -0.374 -6.326 -3.117 181 1HB PHE 27 1HB PHE 27 -0.251 -4.053 -2.506 182 2HB PHE 27 2HB PHE 27 -1.105 -3.529 -3.953 183 HD1 PHE 27 1HD PHE 27 -1.415 -4.703 -0.548 184 HD2 PHE 27 2HD PHE 27 -3.545 -3.877 -4.139 185 HE1 PHE 27 1HE PHE 27 -3.529 -4.696 0.712 186 HE2 PHE 27 2HE PHE 27 -5.662 -3.869 -2.885 187 HZ PHE 27 HZ PHE 27 -5.656 -4.277 -0.457 188 H VAL 28 H VAL 28 -1.886 -4.910 -6.000 189 HA VAL 28 HA VAL 28 -4.155 -6.750 -5.651 190 HB VAL 28 HB VAL 28 -4.842 -4.435 -5.799 191 1HG1 VAL 28 1HG1 VAL 28 -4.440 -3.273 -8.068 192 2HG1 VAL 28 2HG1 VAL 28 -3.127 -3.301 -6.889 193 3HG1 VAL 28 3HG1 VAL 28 -3.118 -4.425 -8.249 194 1HG2 VAL 28 1HG2 VAL 28 -5.613 -5.238 -8.512 195 2HG2 VAL 28 2HG2 VAL 28 -5.867 -6.474 -7.281 196 3HG2 VAL 28 3HG2 VAL 28 -6.615 -4.887 -7.104 197 H SER 29 H SER 29 -1.306 -6.836 -7.087 198 HA SER 29 HA SER 29 -2.257 -7.872 -9.663 199 1HB SER 29 1HB SER 29 -0.268 -6.154 -9.301 200 2HB SER 29 2HB SER 29 0.652 -7.633 -9.028 201 HG SER 29 HG SER 29 -0.610 -6.715 -11.351 202 H VAL 30 H VAL 30 -0.114 -8.739 -6.962 203 HA VAL 30 HA VAL 30 -0.321 -11.557 -7.787 204 HB VAL 30 HB VAL 30 1.720 -12.011 -6.708 205 1HG1 VAL 30 1HG1 VAL 30 1.782 -9.392 -8.171 206 2HG1 VAL 30 2HG1 VAL 30 3.260 -10.161 -7.588 207 3HG1 VAL 30 3HG1 VAL 30 2.230 -10.996 -8.752 208 1HG2 VAL 30 1HG2 VAL 30 1.376 -10.877 -4.622 209 2HG2 VAL 30 2HG2 VAL 30 2.899 -10.316 -5.312 210 3HG2 VAL 30 3HG2 VAL 30 1.460 -9.302 -5.411 211 H THR 31 H THR 31 -0.364 -9.444 -4.932 212 HA THR 31 HA THR 31 -2.511 -10.834 -3.722 213 HB THR 31 HB THR 31 -0.740 -12.521 -3.314 214 HG1 THR 31 1HG THR 31 -2.490 -12.147 -1.793 215 1HG2 THR 31 1HG2 THR 31 0.855 -10.300 -2.781 216 2HG2 THR 31 2HG2 THR 31 1.292 -11.993 -2.551 217 3HG2 THR 31 3HG2 THR 31 0.618 -11.067 -1.211 218 H LYS 32 H LYS 32 -3.354 -9.723 -1.983 219 HA LYS 32 HA LYS 32 -2.450 -7.022 -1.658 220 1HB LYS 32 1HB LYS 32 -4.666 -8.609 -0.361 221 2HB LYS 32 2HB LYS 32 -4.348 -6.921 0.016 222 1HG LYS 32 1HG LYS 32 -4.664 -6.409 -2.413 223 2HG LYS 32 2HG LYS 32 -5.200 -8.078 -2.626 224 1HD LYS 32 1HD LYS 32 -7.034 -7.732 -1.098 225 2HD LYS 32 2HD LYS 32 -6.455 -6.109 -0.715 226 1HE LYS 32 1HE LYS 32 -7.087 -5.261 -2.778 227 2HE LYS 32 2HE LYS 32 -7.090 -6.849 -3.543 228 1HZ LYS 32 1HZ LYS 32 -9.311 -5.655 -2.903 229 2HZ LYS 32 2HZ LYS 32 -9.006 -6.339 -1.386 230 3HZ LYS 32 3HZ LYS 32 -9.155 -7.333 -2.747 231 H TYR 33 H TYR 33 -2.340 -9.970 0.253 232 HA TYR 33 HA TYR 33 -0.787 -8.530 2.300 233 1HB TYR 33 1HB TYR 33 -2.404 -11.074 2.550 234 2HB TYR 33 2HB TYR 33 -1.415 -10.385 3.833 235 HD1 TYR 33 1HD TYR 33 -2.601 -9.275 5.458 236 HD2 TYR 33 2HD TYR 33 -4.026 -9.146 1.451 237 HE1 TYR 33 1HE TYR 33 -4.501 -7.893 6.185 238 HE2 TYR 33 2HE TYR 33 -5.929 -7.762 2.166 239 HH TYR 33 HH TYR 33 -6.110 -6.371 5.317 240 HA PRO 34 HA PRO 34 2.250 -11.241 0.142 241 1HB PRO 34 1HB PRO 34 4.298 -9.471 0.352 242 2HB PRO 34 2HB PRO 34 3.115 -9.420 -0.961 243 1HG PRO 34 1HG PRO 34 3.231 -7.792 1.548 244 2HG PRO 34 2HG PRO 34 2.865 -7.272 -0.107 245 1HD PRO 34 1HD PRO 34 0.936 -7.705 1.743 246 2HD PRO 34 2HD PRO 34 0.682 -8.002 0.011 247 H ASP 35 H ASP 35 4.272 -12.140 0.945 248 HA ASP 35 HA ASP 35 4.591 -11.856 3.860 249 1HB ASP 35 1HB ASP 35 4.683 -14.393 2.216 250 2HB ASP 35 2HB ASP 35 5.168 -14.291 3.907 251 H GLU 36 H GLU 36 6.764 -13.024 4.510 252 HA GLU 36 HA GLU 36 8.892 -11.539 3.897 253 1HB GLU 36 1HB GLU 36 8.663 -13.694 5.389 254 2HB GLU 36 2HB GLU 36 9.378 -14.489 3.993 255 1HG GLU 36 1HG GLU 36 11.288 -12.956 4.113 256 2HG GLU 36 2HG GLU 36 10.578 -12.204 5.540 257 H LYS 37 H LYS 37 8.180 -14.549 2.120 258 HA LYS 37 HA LYS 37 10.102 -14.593 0.237 259 1HB LYS 37 1HB LYS 37 7.206 -15.274 0.151 260 2HB LYS 37 2HB LYS 37 8.078 -15.246 -1.376 261 1HG LYS 37 1HG LYS 37 9.050 -16.808 0.996 262 2HG LYS 37 2HG LYS 37 7.917 -17.474 -0.182 263 1HD LYS 37 1HD LYS 37 10.405 -16.201 -1.198 264 2HD LYS 37 2HD LYS 37 10.537 -17.785 -0.430 265 1HE LYS 37 1HE LYS 37 10.152 -18.445 -2.578 266 2HE LYS 37 2HE LYS 37 8.486 -18.317 -2.017 267 1HZ LYS 37 1HZ LYS 37 8.891 -17.248 -4.190 268 2HZ LYS 37 2HZ LYS 37 9.938 -16.153 -3.438 269 3HZ LYS 37 3HZ LYS 37 8.297 -16.174 -3.026 270 H ARG 38 H ARG 38 7.107 -12.686 -0.076 271 HA ARG 38 HA ARG 38 7.791 -11.451 -2.506 272 1HB ARG 38 1HB ARG 38 5.508 -11.559 -1.340 273 2HB ARG 38 2HB ARG 38 6.058 -10.180 -0.397 274 1HG ARG 38 1HG ARG 38 4.983 -9.079 -2.062 275 2HG ARG 38 2HG ARG 38 6.580 -9.208 -2.801 276 1HD ARG 38 1HD ARG 38 4.359 -11.197 -3.237 277 2HD ARG 38 2HD ARG 38 4.669 -9.824 -4.300 278 HE ARG 38 HE ARG 38 7.056 -11.031 -4.260 279 1HH1 ARG 38 2HH1 ARG 38 3.841 -12.282 -4.732 280 2HH1 ARG 38 1HH1 ARG 38 4.356 -13.578 -5.761 281 1HH2 ARG 38 2HH2 ARG 38 7.746 -12.733 -5.613 282 2HH2 ARG 38 1HH2 ARG 38 6.577 -13.834 -6.260 283 H LEU 39 H LEU 39 7.919 -10.127 0.806 284 HA LEU 39 HA LEU 39 9.028 -7.683 0.322 285 1HB LEU 39 1HB LEU 39 9.481 -9.620 2.570 286 2HB LEU 39 2HB LEU 39 10.230 -8.025 2.559 287 HG LEU 39 HG LEU 39 8.159 -8.185 3.933 288 1HD1 LEU 39 1HD1 LEU 39 8.758 -6.237 1.853 289 2HD1 LEU 39 2HD1 LEU 39 8.338 -5.995 3.549 290 3HD1 LEU 39 3HD1 LEU 39 7.065 -6.227 2.350 291 1HD2 LEU 39 1HD2 LEU 39 6.000 -8.202 2.724 292 2HD2 LEU 39 2HD2 LEU 39 6.877 -9.727 2.599 293 3HD2 LEU 39 3HD2 LEU 39 6.867 -8.602 1.240 294 H LYS 40 H LYS 40 10.862 -10.686 0.891 295 HA LYS 40 HA LYS 40 13.421 -9.945 0.762 296 1HB LYS 40 1HB LYS 40 12.104 -12.215 -0.724 297 2HB LYS 40 2HB LYS 40 13.850 -12.013 -0.668 298 1HG LYS 40 1HG LYS 40 13.557 -11.986 1.885 299 2HG LYS 40 2HG LYS 40 11.961 -12.665 1.559 300 1HD LYS 40 1HD LYS 40 14.323 -13.910 0.244 301 2HD LYS 40 2HD LYS 40 14.067 -14.211 1.965 302 1HE LYS 40 1HE LYS 40 11.787 -14.989 1.467 303 2HE LYS 40 2HE LYS 40 12.083 -14.725 -0.251 304 1HZ LYS 40 1HZ LYS 40 14.153 -16.280 0.406 305 2HZ LYS 40 2HZ LYS 40 12.687 -16.869 -0.197 306 3HZ LYS 40 3HZ LYS 40 12.978 -16.875 1.469 307 H GLY 41 H GLY 41 11.416 -10.363 -2.159 308 1HA GLY 41 1HA GLY 41 13.360 -9.545 -4.010 309 2HA GLY 41 2HA GLY 41 11.623 -9.490 -4.270 310 H LEU 42 H LEU 42 10.515 -7.617 -3.073 311 HA LEU 42 HA LEU 42 11.191 -5.223 -4.138 312 1HB LEU 42 1HB LEU 42 9.909 -5.759 -1.468 313 2HB LEU 42 2HB LEU 42 9.983 -4.162 -2.209 314 HG LEU 42 HG LEU 42 8.688 -6.483 -3.608 315 1HD1 LEU 42 1HD1 LEU 42 7.831 -5.596 -1.161 316 2HD1 LEU 42 2HD1 LEU 42 6.827 -6.375 -2.382 317 3HD1 LEU 42 3HD1 LEU 42 6.885 -4.616 -2.281 318 1HD2 LEU 42 1HD2 LEU 42 7.338 -4.315 -4.363 319 2HD2 LEU 42 2HD2 LEU 42 8.819 -4.836 -5.166 320 3HD2 LEU 42 3HD2 LEU 42 8.874 -3.547 -3.962 321 H SER 43 H SER 43 12.260 -6.419 -0.968 322 HA SER 43 HA SER 43 13.586 -4.376 0.131 323 1HB SER 43 1HB SER 43 13.661 -6.595 1.113 324 2HB SER 43 2HB SER 43 14.677 -7.181 -0.205 325 HG SER 43 HG SER 43 15.412 -5.100 1.579 326 H LYS 44 H LYS 44 14.683 -6.172 -2.696 327 HA LYS 44 HA LYS 44 17.091 -4.555 -2.909 328 1HB LYS 44 1HB LYS 44 16.876 -7.082 -3.447 329 2HB LYS 44 2HB LYS 44 16.158 -6.545 -4.959 330 1HG LYS 44 1HG LYS 44 18.123 -5.723 -5.765 331 2HG LYS 44 2HG LYS 44 18.758 -5.358 -4.159 332 1HD LYS 44 1HD LYS 44 20.057 -7.163 -4.702 333 2HD LYS 44 2HD LYS 44 18.706 -7.983 -3.915 334 1HE LYS 44 1HE LYS 44 17.763 -8.623 -5.978 335 2HE LYS 44 2HE LYS 44 18.780 -7.502 -6.881 336 1HZ LYS 44 1HZ LYS 44 20.382 -9.310 -5.411 337 2HZ LYS 44 2HZ LYS 44 20.327 -9.055 -7.082 338 3HZ LYS 44 3HZ LYS 44 19.278 -10.171 -6.362 339 H GLN 45 H GLN 45 14.056 -5.074 -4.654 340 HA GLN 45 HA GLN 45 14.480 -3.519 -6.888 341 1HB GLN 45 1HB GLN 45 12.457 -4.902 -6.442 342 2HB GLN 45 2HB GLN 45 11.903 -3.670 -5.316 343 1HG GLN 45 1HG GLN 45 10.746 -3.053 -7.168 344 2HG GLN 45 2HG GLN 45 12.210 -2.099 -7.400 345 1HE2 GLN 45 1HE2 GLN 45 10.120 -3.497 -9.179 346 2HE2 GLN 45 2HE2 GLN 45 11.087 -4.289 -10.371 347 H LEU 46 H LEU 46 13.056 -2.428 -3.805 348 HA LEU 46 HA LEU 46 13.630 0.341 -4.597 349 1HB LEU 46 1HB LEU 46 11.813 -0.769 -2.465 350 2HB LEU 46 2HB LEU 46 12.092 0.948 -2.746 351 HG LEU 46 HG LEU 46 11.082 -0.717 -5.001 352 1HD1 LEU 46 1HD1 LEU 46 8.998 0.482 -3.329 353 2HD1 LEU 46 2HD1 LEU 46 9.800 -0.914 -2.611 354 3HD1 LEU 46 3HD1 LEU 46 9.024 -1.058 -4.188 355 1HD2 LEU 46 1HD2 LEU 46 11.641 1.953 -4.635 356 2HD2 LEU 46 2HD2 LEU 46 9.889 1.878 -4.446 357 3HD2 LEU 46 3HD2 LEU 46 10.644 1.269 -5.919 358 H ASP 47 H ASP 47 15.546 -1.683 -3.477 359 HA ASP 47 HA ASP 47 17.101 -1.906 -1.796 360 1HB ASP 47 1HB ASP 47 17.874 0.007 -3.229 361 2HB ASP 47 2HB ASP 47 17.151 1.105 -2.056 362 H TRP 48 H TRP 48 14.510 -1.889 -0.721 363 HA TRP 48 HA TRP 48 14.780 -0.263 1.711 364 1HB TRP 48 1HB TRP 48 12.455 -1.388 0.223 365 2HB TRP 48 2HB TRP 48 12.309 -1.220 1.970 366 HD1 TRP 48 HD TRP 48 14.391 1.456 0.365 367 HE1 TRP 48 1HE TRP 48 13.063 3.659 0.288 368 HE3 TRP 48 3HE TRP 48 9.780 -0.330 1.663 369 HZ2 TRP 48 2HZ TRP 48 10.411 4.525 0.720 370 HZ3 TRP 48 3HZ TRP 48 7.901 1.252 1.809 371 HH2 TRP 48 HH TRP 48 8.212 3.629 1.348 372 H SER 49 H SER 49 13.427 -1.548 3.574 373 HA SER 49 HA SER 49 14.864 -4.101 3.865 374 1HB SER 49 1HB SER 49 13.982 -2.041 5.879 375 2HB SER 49 2HB SER 49 14.394 -3.685 6.365 376 HG SER 49 HG SER 49 16.358 -2.940 6.392 377 H VAL 50 H VAL 50 13.796 -5.918 4.634 378 HA VAL 50 HA VAL 50 11.250 -6.441 3.772 379 HB VAL 50 HB VAL 50 12.731 -8.231 4.439 380 1HG1 VAL 50 1HG1 VAL 50 12.704 -6.793 7.007 381 2HG1 VAL 50 2HG1 VAL 50 12.662 -8.554 7.120 382 3HG1 VAL 50 3HG1 VAL 50 13.976 -7.756 6.256 383 1HG2 VAL 50 1HG2 VAL 50 10.246 -8.204 6.149 384 2HG2 VAL 50 2HG2 VAL 50 10.326 -8.681 4.453 385 3HG2 VAL 50 3HG2 VAL 50 11.163 -9.634 5.678 386 H ARG 51 H ARG 51 12.238 -4.916 6.753 387 HA ARG 51 HA ARG 51 9.600 -5.068 7.930 388 1HB ARG 51 1HB ARG 51 10.608 -3.682 9.733 389 2HB ARG 51 2HB ARG 51 11.489 -5.171 9.423 390 1HG ARG 51 1HG ARG 51 13.180 -3.971 8.199 391 2HG ARG 51 2HG ARG 51 12.266 -2.469 8.349 392 1HD ARG 51 1HD ARG 51 13.817 -2.250 10.043 393 2HD ARG 51 2HD ARG 51 12.437 -2.934 10.901 394 HE ARG 51 HE ARG 51 14.975 -4.218 10.370 395 1HH1 ARG 51 2HH1 ARG 51 11.646 -4.614 11.309 396 2HH1 ARG 51 1HH1 ARG 51 11.911 -6.137 12.090 397 1HH2 ARG 51 2HH2 ARG 51 15.337 -6.223 11.395 398 2HH2 ARG 51 1HH2 ARG 51 14.011 -7.051 12.139 399 H LYS 52 H LYS 52 11.684 -2.574 6.513 400 HA LYS 52 HA LYS 52 10.037 -0.366 6.937 401 1HB LYS 52 1HB LYS 52 12.350 -0.170 6.166 402 2HB LYS 52 2HB LYS 52 11.916 -0.911 4.631 403 1HG LYS 52 1HG LYS 52 10.855 0.968 3.863 404 2HG LYS 52 2HG LYS 52 10.485 1.555 5.487 405 1HD LYS 52 1HD LYS 52 13.121 1.714 5.641 406 2HD LYS 52 2HD LYS 52 12.980 1.821 3.885 407 1HE LYS 52 1HE LYS 52 11.203 3.530 5.547 408 2HE LYS 52 2HE LYS 52 12.905 3.971 5.429 409 1HZ LYS 52 1HZ LYS 52 10.825 4.256 3.496 410 2HZ LYS 52 2HZ LYS 52 12.154 3.428 2.857 411 3HZ LYS 52 3HZ LYS 52 12.361 4.964 3.534 412 H ILE 53 H ILE 53 10.215 -2.511 4.100 413 HA ILE 53 HA ILE 53 8.246 -1.298 2.559 414 HB ILE 53 HB ILE 53 8.886 -4.246 2.709 415 1HG1 ILE 53 1HG1 ILE 53 9.916 -2.327 0.642 416 2HG1 ILE 53 2HG1 ILE 53 10.743 -2.497 2.186 417 1HG2 ILE 53 1HG2 ILE 53 7.845 -2.887 0.270 418 2HG2 ILE 53 2HG2 ILE 53 7.715 -4.574 0.761 419 3HG2 ILE 53 3HG2 ILE 53 6.718 -3.349 1.544 420 1HD1 ILE 53 1HD1 ILE 53 11.718 -4.379 1.542 421 2HD1 ILE 53 2HD1 ILE 53 10.191 -5.064 0.983 422 3HD1 ILE 53 3HD1 ILE 53 11.133 -4.022 -0.083 423 H GLN 54 H GLN 54 7.901 -3.984 4.872 424 HA GLN 54 HA GLN 54 5.261 -4.578 4.651 425 1HB GLN 54 1HB GLN 54 7.108 -4.475 6.994 426 2HB GLN 54 2HB GLN 54 5.399 -4.774 7.284 427 1HG GLN 54 1HG GLN 54 5.718 -6.586 5.422 428 2HG GLN 54 2HG GLN 54 7.413 -6.463 5.891 429 1HE2 GLN 54 1HE2 GLN 54 6.713 -8.809 6.346 430 2HE2 GLN 54 2HE2 GLN 54 6.218 -9.132 7.969 431 H CYS 55 H CYS 55 6.646 -1.802 6.341 432 HA CYS 55 HA CYS 55 4.340 -0.830 7.560 433 1HB CYS 55 1HB CYS 55 6.769 -0.025 7.801 434 2HB CYS 55 2HB CYS 55 6.452 0.965 6.382 435 HG CYS 55 HG CYS 55 4.029 1.448 8.529 436 H TRP 56 H TRP 56 5.631 -0.174 4.321 437 HA TRP 56 HA TRP 56 3.732 1.714 3.525 438 1HB TRP 56 1HB TRP 56 5.852 1.165 2.311 439 2HB TRP 56 2HB TRP 56 5.091 -0.319 1.745 440 HD1 TRP 56 HD TRP 56 5.332 3.361 1.008 441 HE1 TRP 56 1HE TRP 56 3.927 3.918 -1.075 442 HE3 TRP 56 3HE TRP 56 2.833 -1.070 0.508 443 HZ2 TRP 56 2HZ TRP 56 2.011 2.647 -2.713 444 HZ3 TRP 56 3HZ TRP 56 1.230 -1.318 -1.343 445 HH2 TRP 56 HH TRP 56 0.829 0.503 -2.919 446 H PHE 57 H PHE 57 3.783 -1.792 2.863 447 HA PHE 57 HA PHE 57 1.392 -2.029 1.527 448 1HB PHE 57 1HB PHE 57 2.971 -3.859 3.273 449 2HB PHE 57 2HB PHE 57 1.339 -4.348 2.831 450 HD1 PHE 57 1HD PHE 57 4.749 -4.116 1.785 451 HD2 PHE 57 2HD PHE 57 0.749 -4.472 0.374 452 HE1 PHE 57 1HE PHE 57 5.589 -4.937 -0.377 453 HE2 PHE 57 2HE PHE 57 1.583 -5.294 -1.790 454 HZ PHE 57 HZ PHE 57 4.005 -5.528 -2.168 455 H ARG 58 H ARG 58 1.937 -1.922 5.018 456 HA ARG 58 HA ARG 58 -0.661 -2.510 5.861 457 1HB ARG 58 1HB ARG 58 1.264 -2.444 7.381 458 2HB ARG 58 2HB ARG 58 1.382 -0.703 7.166 459 1HG ARG 58 1HG ARG 58 -1.193 -1.821 8.132 460 2HG ARG 58 2HG ARG 58 0.172 -1.764 9.249 461 1HD ARG 58 1HD ARG 58 0.422 0.647 8.754 462 2HD ARG 58 2HD ARG 58 -1.013 0.558 7.734 463 HE ARG 58 HE ARG 58 -1.911 -0.388 10.087 464 1HH1 ARG 58 2HH1 ARG 58 -0.111 2.466 9.230 465 2HH1 ARG 58 1HH1 ARG 58 -0.761 3.422 10.521 466 1HH2 ARG 58 2HH2 ARG 58 -2.773 0.860 11.790 467 2HH2 ARG 58 1HH2 ARG 58 -2.274 2.507 11.977 468 H HIS 59 H HIS 59 0.859 0.675 5.354 469 HA HIS 59 HA HIS 59 -1.346 2.258 5.936 470 1HB HIS 59 1HB HIS 59 1.068 2.975 5.471 471 2HB HIS 59 2HB HIS 59 0.634 2.932 3.765 472 HD1 HIS 59 1HD HIS 59 1.087 5.325 6.209 473 HD2 HIS 59 2HD HIS 59 -2.056 4.558 3.601 474 HE1 HIS 59 1HE HIS 59 -0.195 7.483 6.047 475 HE2 HIS 59 2HE HIS 59 -2.140 6.970 4.532 476 H ARG 60 H ARG 60 -0.374 0.821 2.842 477 HA ARG 60 HA ARG 60 -2.171 1.937 1.117 478 1HB ARG 60 1HB ARG 60 -0.460 0.319 0.433 479 2HB ARG 60 2HB ARG 60 -1.355 -0.972 1.223 480 1HG ARG 60 1HG ARG 60 -1.717 -1.029 -1.165 481 2HG ARG 60 2HG ARG 60 -3.217 -0.622 -0.329 482 1HD ARG 60 1HD ARG 60 -1.466 1.600 -1.243 483 2HD ARG 60 2HD ARG 60 -2.394 0.720 -2.457 484 HE ARG 60 HE ARG 60 -3.938 1.605 -0.190 485 1HH1 ARG 60 2HH1 ARG 60 -2.735 2.413 -3.355 486 2HH1 ARG 60 1HH1 ARG 60 -3.964 3.594 -3.664 487 1HH2 ARG 60 2HH2 ARG 60 -5.562 3.158 -0.585 488 2HH2 ARG 60 1HH2 ARG 60 -5.571 4.017 -2.087 489 H ARG 61 H ARG 61 -2.767 -1.124 2.858 490 HA ARG 61 HA ARG 61 -5.361 -1.579 2.187 491 1HB ARG 61 1HB ARG 61 -4.080 -1.946 4.899 492 2HB ARG 61 2HB ARG 61 -5.626 -2.643 4.435 493 1HG ARG 61 1HG ARG 61 -4.521 -3.910 2.659 494 2HG ARG 61 2HG ARG 61 -2.971 -3.217 3.137 495 1HD ARG 61 1HD ARG 61 -4.678 -4.695 5.107 496 2HD ARG 61 2HD ARG 61 -3.605 -5.560 4.009 497 HE ARG 61 HE ARG 61 -1.970 -3.726 5.119 498 1HH1 ARG 61 2HH1 ARG 61 -4.199 -6.037 6.464 499 2HH1 ARG 61 1HH1 ARG 61 -3.295 -6.254 7.926 500 1HH2 ARG 61 2HH2 ARG 61 -0.770 -4.003 7.039 501 2HH2 ARG 61 1HH2 ARG 61 -1.345 -5.096 8.252 502 H ASN 62 H ASN 62 -4.460 0.154 5.176 503 HA ASN 62 HA ASN 62 -6.946 1.040 5.919 504 1HB ASN 62 1HB ASN 62 -4.545 1.364 6.987 505 2HB ASN 62 2HB ASN 62 -4.657 2.938 6.205 506 1HD2 ASN 62 1HD2 ASN 62 -5.824 0.906 8.730 507 2HD2 ASN 62 2HD2 ASN 62 -6.790 2.093 9.531 508 H GLN 63 H GLN 63 -4.702 2.583 3.651 509 HA GLN 63 HA GLN 63 -6.192 4.908 3.176 510 1HB GLN 63 1HB GLN 63 -3.768 4.192 2.438 511 2HB GLN 63 2HB GLN 63 -4.594 3.649 0.984 512 1HG GLN 63 1HG GLN 63 -3.732 5.873 0.662 513 2HG GLN 63 2HG GLN 63 -5.495 5.906 0.666 514 1HE2 GLN 63 1HE2 GLN 63 -2.659 7.133 2.042 515 2HE2 GLN 63 2HE2 GLN 63 -3.383 8.078 3.294 516 H ASP 64 H ASP 64 -6.323 1.712 1.693 517 HA ASP 64 HA ASP 64 -8.348 2.537 -0.208 518 1HB ASP 64 1HB ASP 64 -6.483 0.740 -0.533 519 2HB ASP 64 2HB ASP 64 -7.603 -0.321 0.317 520 H LYS 65 H LYS 65 -9.183 3.022 2.379 521 HA LYS 65 HA LYS 65 -11.125 0.883 2.927 522 1HB LYS 65 1HB LYS 65 -9.517 1.721 4.740 523 2HB LYS 65 2HB LYS 65 -10.485 3.189 4.757 524 1HG LYS 65 1HG LYS 65 -12.443 1.947 5.405 525 2HG LYS 65 2HG LYS 65 -11.564 0.423 5.259 526 1HD LYS 65 1HD LYS 65 -10.528 2.551 7.081 527 2HD LYS 65 2HD LYS 65 -11.883 1.547 7.601 528 1HE LYS 65 1HE LYS 65 -9.467 0.228 6.459 529 2HE LYS 65 2HE LYS 65 -9.396 0.850 8.108 530 1HZ LYS 65 1HZ LYS 65 -10.309 -1.581 7.435 531 2HZ LYS 65 2HZ LYS 65 -11.754 -0.706 7.511 532 3HZ LYS 65 3HZ LYS 65 -10.730 -0.764 8.856 533 HA PRO 66 HA PRO 66 -13.694 4.136 0.938 534 1HB PRO 66 1HB PRO 66 -15.405 2.372 -0.216 535 2HB PRO 66 2HB PRO 66 -13.869 2.843 -0.953 536 1HG PRO 66 1HG PRO 66 -14.538 0.390 0.627 537 2HG PRO 66 2HG PRO 66 -13.584 0.537 -0.860 538 1HD PRO 66 1HD PRO 66 -12.445 0.286 1.583 539 2HD PRO 66 2HD PRO 66 -11.694 1.216 0.271 540 H SER 67 H SER 67 -14.530 4.863 2.915 541 HA SER 67 HA SER 67 -17.170 3.911 3.528 542 1HB SER 67 1HB SER 67 -16.797 3.316 5.836 543 2HB SER 67 2HB SER 67 -15.697 2.362 4.841 544 HG SER 67 HG SER 67 -14.291 4.409 5.348 545 H GLY 68 H GLY 68 -18.216 5.789 3.543 546 1HA GLY 68 1HA GLY 68 -17.078 7.987 5.154 547 2HA GLY 68 2HA GLY 68 -17.780 8.284 3.571 548 HA PRO 69 HA PRO 69 -21.765 8.826 5.302 549 1HB PRO 69 1HB PRO 69 -23.395 7.537 3.556 550 2HB PRO 69 2HB PRO 69 -22.584 9.059 3.168 551 1HG PRO 69 1HG PRO 69 -21.817 6.261 2.428 552 2HG PRO 69 2HG PRO 69 -21.800 7.727 1.430 553 1HD PRO 69 1HD PRO 69 -19.562 6.712 2.568 554 2HD PRO 69 2HD PRO 69 -19.796 8.453 2.309 555 H SER 70 H SER 70 -20.326 5.831 5.302 556 HA SER 70 HA SER 70 -22.454 4.138 6.080 557 1HB SER 70 1HB SER 70 -20.765 2.555 6.700 558 2HB SER 70 2HB SER 70 -20.179 3.398 5.266 559 HG SER 70 HG SER 70 -18.676 4.380 6.433 560 H SER 71 H SER 71 -23.202 3.529 8.082 561 HA SER 71 HA SER 71 -23.497 5.358 10.076 562 1HB SER 71 1HB SER 71 -24.853 3.392 10.106 563 2HB SER 71 2HB SER 71 -23.443 2.342 10.258 564 HG SER 71 HG SER 71 -23.308 2.794 12.340 565 H GLY 72 H GLY 72 -22.166 6.330 11.446 566 1HA GLY 72 1HA GLY 72 -20.084 4.875 12.811 567 2HA GLY 72 2HA GLY 72 -19.474 6.046 11.650 Start of MODEL 17 1 1H GLY 1 H GLY 1 -4.331 4.131 20.114 2 1HA GLY 1 1HA GLY 1 -3.005 5.863 19.344 3 2HA GLY 1 2HA GLY 1 -2.950 5.072 17.776 4 H SER 2 H SER 2 -3.628 7.893 18.951 5 HA SER 2 HA SER 2 -5.673 8.445 16.958 6 1HB SER 2 1HB SER 2 -6.950 7.979 19.026 7 2HB SER 2 2HB SER 2 -6.043 9.244 19.856 8 HG SER 2 HG SER 2 -6.892 10.525 17.880 9 H SER 3 H SER 3 -5.694 10.583 16.243 10 HA SER 3 HA SER 3 -4.058 12.591 17.493 11 1HB SER 3 1HB SER 3 -2.400 12.836 15.798 12 2HB SER 3 2HB SER 3 -2.428 11.121 16.209 13 HG SER 3 HG SER 3 -3.099 10.674 14.263 14 H GLY 4 H GLY 4 -5.305 14.326 17.317 15 1HA GLY 4 1HA GLY 4 -7.437 14.630 15.539 16 2HA GLY 4 2HA GLY 4 -6.679 15.938 16.434 17 H SER 5 H SER 5 -7.623 16.633 14.072 18 HA SER 5 HA SER 5 -5.216 16.865 12.394 19 1HB SER 5 1HB SER 5 -6.743 16.873 10.398 20 2HB SER 5 2HB SER 5 -6.668 15.327 11.243 21 HG SER 5 HG SER 5 -8.803 15.723 10.918 22 H SER 6 H SER 6 -8.340 18.256 13.298 23 HA SER 6 HA SER 6 -9.162 20.387 13.145 24 1HB SER 6 1HB SER 6 -6.319 20.884 14.049 25 2HB SER 6 2HB SER 6 -7.584 22.113 14.067 26 HG SER 6 HG SER 6 -7.824 19.615 15.383 27 H GLY 7 H GLY 7 -8.620 19.518 10.640 28 1HA GLY 7 1HA GLY 7 -7.172 21.732 9.341 29 2HA GLY 7 2HA GLY 7 -7.474 20.161 8.614 30 H GLY 8 H GLY 8 -8.113 21.961 6.937 31 1HA GLY 8 1HA GLY 8 -10.995 21.888 6.816 32 2HA GLY 8 2HA GLY 8 -10.341 23.507 7.016 33 H ILE 9 H ILE 9 -10.800 24.380 5.062 34 HA ILE 9 HA ILE 9 -10.522 23.008 2.597 35 HB ILE 9 HB ILE 9 -10.728 25.270 1.564 36 1HG1 ILE 9 1HG1 ILE 9 -10.938 26.203 4.435 37 2HG1 ILE 9 2HG1 ILE 9 -9.567 26.509 3.375 38 1HG2 ILE 9 1HG2 ILE 9 -12.618 23.805 3.066 39 2HG2 ILE 9 2HG2 ILE 9 -12.943 25.516 3.342 40 3HG2 ILE 9 3HG2 ILE 9 -12.908 24.880 1.698 41 1HD1 ILE 9 1HD1 ILE 9 -12.309 27.666 3.306 42 2HD1 ILE 9 2HD1 ILE 9 -10.742 28.470 3.213 43 3HD1 ILE 9 3HD1 ILE 9 -11.359 27.576 1.824 44 H LYS 10 H LYS 10 -8.820 22.742 1.294 45 HA LYS 10 HA LYS 10 -6.612 24.526 1.175 46 1HB LYS 10 1HB LYS 10 -4.876 23.068 2.065 47 2HB LYS 10 2HB LYS 10 -6.068 23.424 3.308 48 1HG LYS 10 1HG LYS 10 -7.132 21.227 2.826 49 2HG LYS 10 2HG LYS 10 -5.793 20.876 1.730 50 1HD LYS 10 1HD LYS 10 -5.009 19.891 3.641 51 2HD LYS 10 2HD LYS 10 -4.350 21.516 3.847 52 1HE LYS 10 1HE LYS 10 -5.306 21.029 5.919 53 2HE LYS 10 2HE LYS 10 -6.521 22.022 5.115 54 1HZ LYS 10 1HZ LYS 10 -6.543 19.058 5.308 55 2HZ LYS 10 2HZ LYS 10 -7.696 19.991 4.495 56 3HZ LYS 10 3HZ LYS 10 -7.537 20.119 6.174 57 H ASP 11 H ASP 11 -4.714 23.335 -0.063 58 HA ASP 11 HA ASP 11 -5.755 21.347 -1.931 59 1HB ASP 11 1HB ASP 11 -5.021 22.641 -3.887 60 2HB ASP 11 2HB ASP 11 -6.268 23.498 -2.986 61 H SER 12 H SER 12 -4.277 19.849 -2.403 62 HA SER 12 HA SER 12 -1.432 20.515 -2.101 63 1HB SER 12 1HB SER 12 -2.726 18.000 -1.017 64 2HB SER 12 2HB SER 12 -1.015 18.418 -0.923 65 HG SER 12 HG SER 12 -3.049 19.168 0.687 66 HA PRO 13 HA PRO 13 -1.009 18.503 -5.990 67 1HB PRO 13 1HB PRO 13 1.631 17.879 -5.876 68 2HB PRO 13 2HB PRO 13 1.044 19.527 -6.127 69 1HG PRO 13 1HG PRO 13 2.009 18.222 -3.612 70 2HG PRO 13 2HG PRO 13 2.353 19.847 -4.233 71 1HD PRO 13 1HD PRO 13 0.521 19.387 -2.292 72 2HD PRO 13 2HD PRO 13 0.349 20.698 -3.478 73 H VAL 14 H VAL 14 0.332 16.441 -6.826 74 HA VAL 14 HA VAL 14 -0.948 14.174 -6.256 75 HB VAL 14 HB VAL 14 2.042 14.285 -6.675 76 1HG1 VAL 14 1HG1 VAL 14 1.796 12.082 -6.217 77 2HG1 VAL 14 2HG1 VAL 14 0.073 12.083 -6.600 78 3HG1 VAL 14 3HG1 VAL 14 1.266 12.032 -7.898 79 1HG2 VAL 14 1HG2 VAL 14 1.009 13.663 -9.084 80 2HG2 VAL 14 2HG2 VAL 14 -0.264 14.713 -8.461 81 3HG2 VAL 14 3HG2 VAL 14 1.392 15.309 -8.580 82 H ASN 15 H ASN 15 -1.279 12.870 -4.579 83 HA ASN 15 HA ASN 15 0.442 13.182 -2.217 84 1HB ASN 15 1HB ASN 15 -2.334 11.988 -2.376 85 2HB ASN 15 2HB ASN 15 -1.422 12.333 -0.909 86 1HD2 ASN 15 1HD2 ASN 15 -1.224 14.442 -0.200 87 2HD2 ASN 15 2HD2 ASN 15 -2.206 15.723 -0.817 88 H LYS 16 H LYS 16 2.073 11.741 -2.530 89 HA LYS 16 HA LYS 16 1.293 8.916 -2.845 90 1HB LYS 16 1HB LYS 16 2.521 9.865 -4.808 91 2HB LYS 16 2HB LYS 16 3.891 10.170 -3.748 92 1HG LYS 16 1HG LYS 16 4.172 7.818 -3.345 93 2HG LYS 16 2HG LYS 16 2.702 7.450 -4.251 94 1HD LYS 16 1HD LYS 16 4.489 7.002 -5.726 95 2HD LYS 16 2HD LYS 16 3.826 8.554 -6.242 96 1HE LYS 16 1HE LYS 16 5.604 9.743 -5.166 97 2HE LYS 16 2HE LYS 16 6.198 8.268 -4.405 98 1HZ LYS 16 1HZ LYS 16 6.125 7.800 -7.141 99 2HZ LYS 16 2HZ LYS 16 7.491 7.969 -6.159 100 3HZ LYS 16 3HZ LYS 16 6.838 9.321 -6.938 101 H VAL 17 H VAL 17 1.351 8.148 -0.811 102 HA VAL 17 HA VAL 17 2.664 8.915 1.395 103 HB VAL 17 HB VAL 17 1.164 6.922 1.228 104 1HG1 VAL 17 1HG1 VAL 17 2.415 5.886 -0.680 105 2HG1 VAL 17 2HG1 VAL 17 3.664 5.419 0.476 106 3HG1 VAL 17 3HG1 VAL 17 2.028 4.780 0.638 107 1HG2 VAL 17 1HG2 VAL 17 1.939 6.972 3.347 108 2HG2 VAL 17 2HG2 VAL 17 2.822 5.532 2.839 109 3HG2 VAL 17 3HG2 VAL 17 3.624 7.103 2.842 110 H GLU 18 H GLU 18 4.079 6.716 -1.026 111 HA GLU 18 HA GLU 18 6.709 7.797 -0.512 112 1HB GLU 18 1HB GLU 18 5.855 5.152 0.507 113 2HB GLU 18 2HB GLU 18 7.416 5.199 -0.301 114 1HG GLU 18 1HG GLU 18 8.377 6.471 1.318 115 2HG GLU 18 2HG GLU 18 6.866 7.271 1.744 116 HA PRO 19 HA PRO 19 7.442 6.732 -4.703 117 1HB PRO 19 1HB PRO 19 10.050 5.978 -4.697 118 2HB PRO 19 2HB PRO 19 9.534 7.656 -4.487 119 1HG PRO 19 1HG PRO 19 10.349 5.651 -2.418 120 2HG PRO 19 2HG PRO 19 10.778 7.367 -2.543 121 1HD PRO 19 1HD PRO 19 8.854 6.464 -0.865 122 2HD PRO 19 2HD PRO 19 8.777 8.063 -1.634 123 H ASN 20 H ASN 20 7.212 4.400 -2.395 124 HA ASN 20 HA ASN 20 8.119 2.154 -3.982 125 1HB ASN 20 1HB ASN 20 6.901 2.461 -1.254 126 2HB ASN 20 2HB ASN 20 6.972 0.877 -2.020 127 1HD2 ASN 20 1HD2 ASN 20 9.284 3.543 -2.143 128 2HD2 ASN 20 2HD2 ASN 20 10.596 2.671 -1.434 129 H ASP 21 H ASP 21 5.981 3.879 -5.019 130 HA ASP 21 HA ASP 21 3.428 2.891 -4.803 131 1HB ASP 21 1HB ASP 21 3.008 3.780 -7.025 132 2HB ASP 21 2HB ASP 21 4.066 4.876 -6.141 133 H THR 22 H THR 22 6.117 1.587 -6.661 134 HA THR 22 HA THR 22 5.037 -0.197 -8.355 135 HB THR 22 HB THR 22 7.372 -0.562 -6.493 136 HG1 THR 22 1HG THR 22 7.167 -0.255 -9.322 137 1HG2 THR 22 1HG2 THR 22 7.944 -2.514 -8.067 138 2HG2 THR 22 2HG2 THR 22 6.224 -2.523 -8.456 139 3HG2 THR 22 3HG2 THR 22 6.755 -2.800 -6.798 140 H LEU 23 H LEU 23 5.143 -0.547 -4.846 141 HA LEU 23 HA LEU 23 4.211 -3.194 -4.696 142 1HB LEU 23 1HB LEU 23 4.144 -0.871 -2.804 143 2HB LEU 23 2HB LEU 23 3.386 -2.406 -2.387 144 HG LEU 23 HG LEU 23 5.459 -3.531 -2.339 145 1HD1 LEU 23 1HD1 LEU 23 6.348 -2.465 -4.409 146 2HD1 LEU 23 2HD1 LEU 23 7.533 -2.634 -3.115 147 3HD1 LEU 23 3HD1 LEU 23 6.796 -1.065 -3.435 148 1HD2 LEU 23 1HD2 LEU 23 5.020 -1.190 -0.788 149 2HD2 LEU 23 2HD2 LEU 23 6.749 -1.326 -1.110 150 3HD2 LEU 23 3HD2 LEU 23 5.886 -2.661 -0.345 151 H GLU 24 H GLU 24 2.491 -0.097 -4.714 152 HA GLU 24 HA GLU 24 -0.059 -0.775 -4.132 153 1HB GLU 24 1HB GLU 24 0.604 1.487 -4.782 154 2HB GLU 24 2HB GLU 24 0.814 0.962 -6.447 155 1HG GLU 24 1HG GLU 24 -1.826 0.646 -5.087 156 2HG GLU 24 2HG GLU 24 -1.345 2.200 -5.766 157 H LYS 25 H LYS 25 1.672 -1.578 -7.078 158 HA LYS 25 HA LYS 25 -0.617 -2.630 -8.440 159 1HB LYS 25 1HB LYS 25 1.711 -1.771 -9.358 160 2HB LYS 25 2HB LYS 25 2.163 -3.458 -9.152 161 1HG LYS 25 1HG LYS 25 1.454 -3.438 -11.330 162 2HG LYS 25 2HG LYS 25 -0.024 -3.917 -10.492 163 1HD LYS 25 1HD LYS 25 -0.774 -1.571 -10.522 164 2HD LYS 25 2HD LYS 25 0.686 -1.131 -11.413 165 1HE LYS 25 1HE LYS 25 0.021 -2.539 -13.264 166 2HE LYS 25 2HE LYS 25 -1.383 -3.110 -12.363 167 1HZ LYS 25 1HZ LYS 25 -1.446 -0.310 -12.426 168 2HZ LYS 25 2HZ LYS 25 -2.530 -1.399 -13.133 169 3HZ LYS 25 3HZ LYS 25 -1.186 -0.858 -14.006 170 H VAL 26 H VAL 26 2.354 -4.306 -7.397 171 HA VAL 26 HA VAL 26 1.534 -6.889 -7.595 172 HB VAL 26 HB VAL 26 3.763 -5.778 -6.630 173 1HG1 VAL 26 1HG1 VAL 26 2.594 -5.205 -4.489 174 2HG1 VAL 26 2HG1 VAL 26 2.493 -6.935 -4.156 175 3HG1 VAL 26 3HG1 VAL 26 4.068 -6.154 -4.297 176 1HG2 VAL 26 1HG2 VAL 26 3.068 -8.545 -5.715 177 2HG2 VAL 26 2HG2 VAL 26 3.218 -8.168 -7.432 178 3HG2 VAL 26 3HG2 VAL 26 4.594 -7.935 -6.354 179 H PHE 27 H PHE 27 0.751 -4.624 -5.019 180 HA PHE 27 HA PHE 27 -0.312 -6.319 -3.119 181 1HB PHE 27 1HB PHE 27 -0.107 -4.020 -2.570 182 2HB PHE 27 2HB PHE 27 -1.099 -3.527 -3.938 183 HD1 PHE 27 1HD PHE 27 -1.065 -4.543 -0.489 184 HD2 PHE 27 2HD PHE 27 -3.551 -4.006 -3.902 185 HE1 PHE 27 1HE PHE 27 -3.052 -4.536 0.963 186 HE2 PHE 27 2HE PHE 27 -5.541 -3.997 -2.456 187 HZ PHE 27 HZ PHE 27 -5.293 -4.262 -0.020 188 H VAL 28 H VAL 28 -1.944 -4.890 -5.931 189 HA VAL 28 HA VAL 28 -4.219 -6.696 -5.467 190 HB VAL 28 HB VAL 28 -4.902 -4.392 -5.601 191 1HG1 VAL 28 1HG1 VAL 28 -2.967 -4.322 -7.792 192 2HG1 VAL 28 2HG1 VAL 28 -4.478 -3.481 -8.142 193 3HG1 VAL 28 3HG1 VAL 28 -3.525 -3.031 -6.728 194 1HG2 VAL 28 1HG2 VAL 28 -6.008 -6.393 -7.032 195 2HG2 VAL 28 2HG2 VAL 28 -6.697 -4.773 -6.916 196 3HG2 VAL 28 3HG2 VAL 28 -5.713 -5.215 -8.312 197 H SER 29 H SER 29 -1.433 -6.747 -7.087 198 HA SER 29 HA SER 29 -2.518 -7.811 -9.590 199 1HB SER 29 1HB SER 29 -0.485 -6.130 -9.321 200 2HB SER 29 2HB SER 29 0.420 -7.624 -9.083 201 HG SER 29 HG SER 29 0.033 -6.685 -11.338 202 H VAL 30 H VAL 30 -0.284 -8.715 -6.977 203 HA VAL 30 HA VAL 30 -0.547 -11.527 -7.803 204 HB VAL 30 HB VAL 30 1.519 -12.001 -6.844 205 1HG1 VAL 30 1HG1 VAL 30 3.064 -10.152 -7.600 206 2HG1 VAL 30 2HG1 VAL 30 1.930 -10.751 -8.813 207 3HG1 VAL 30 3HG1 VAL 30 1.618 -9.221 -7.992 208 1HG2 VAL 30 1HG2 VAL 30 1.301 -9.407 -5.320 209 2HG2 VAL 30 2HG2 VAL 30 1.142 -11.035 -4.659 210 3HG2 VAL 30 3HG2 VAL 30 2.696 -10.486 -5.286 211 H THR 31 H THR 31 -0.569 -9.413 -4.952 212 HA THR 31 HA THR 31 -2.702 -10.785 -3.716 213 HB THR 31 HB THR 31 -1.005 -12.525 -3.332 214 HG1 THR 31 1HG THR 31 -2.409 -12.553 -1.687 215 1HG2 THR 31 1HG2 THR 31 0.685 -10.327 -2.833 216 2HG2 THR 31 2HG2 THR 31 1.094 -12.041 -2.762 217 3HG2 THR 31 3HG2 THR 31 0.543 -11.204 -1.311 218 H LYS 32 H LYS 32 -3.456 -9.725 -1.881 219 HA LYS 32 HA LYS 32 -2.477 -7.034 -1.550 220 1HB LYS 32 1HB LYS 32 -4.716 -8.480 -0.122 221 2HB LYS 32 2HB LYS 32 -4.402 -6.751 -0.052 222 1HG LYS 32 1HG LYS 32 -5.059 -6.424 -2.272 223 2HG LYS 32 2HG LYS 32 -4.943 -8.145 -2.651 224 1HD LYS 32 1HD LYS 32 -6.907 -8.650 -1.470 225 2HD LYS 32 2HD LYS 32 -6.892 -7.106 -0.614 226 1HE LYS 32 1HE LYS 32 -8.503 -6.673 -2.175 227 2HE LYS 32 2HE LYS 32 -7.076 -6.143 -3.063 228 1HZ LYS 32 1HZ LYS 32 -7.305 -8.829 -3.592 229 2HZ LYS 32 2HZ LYS 32 -7.687 -7.558 -4.640 230 3HZ LYS 32 3HZ LYS 32 -8.891 -8.245 -3.671 231 H TYR 33 H TYR 33 -2.356 -10.047 0.207 232 HA TYR 33 HA TYR 33 -0.884 -8.694 2.372 233 1HB TYR 33 1HB TYR 33 -2.803 -10.967 2.364 234 2HB TYR 33 2HB TYR 33 -1.466 -11.045 3.506 235 HD1 TYR 33 1HD TYR 33 -1.686 -10.018 5.574 236 HD2 TYR 33 2HD TYR 33 -4.165 -8.733 2.363 237 HE1 TYR 33 1HE TYR 33 -2.914 -8.549 7.118 238 HE2 TYR 33 2HE TYR 33 -5.399 -7.260 3.898 239 HH TYR 33 HH TYR 33 -5.824 -6.893 6.154 240 HA PRO 34 HA PRO 34 2.250 -11.208 0.115 241 1HB PRO 34 1HB PRO 34 4.253 -9.409 0.466 242 2HB PRO 34 2HB PRO 34 3.093 -9.307 -0.863 243 1HG PRO 34 1HG PRO 34 3.129 -7.827 1.739 244 2HG PRO 34 2HG PRO 34 2.780 -7.218 0.111 245 1HD PRO 34 1HD PRO 34 0.830 -7.801 1.896 246 2HD PRO 34 2HD PRO 34 0.612 -8.000 0.146 247 H ASP 35 H ASP 35 4.427 -11.925 0.897 248 HA ASP 35 HA ASP 35 4.658 -11.848 3.826 249 1HB ASP 35 1HB ASP 35 5.151 -14.380 2.274 250 2HB ASP 35 2HB ASP 35 4.924 -14.183 4.009 251 H GLU 36 H GLU 36 6.810 -12.561 4.600 252 HA GLU 36 HA GLU 36 8.888 -11.118 3.748 253 1HB GLU 36 1HB GLU 36 8.843 -12.703 5.714 254 2HB GLU 36 2HB GLU 36 9.266 -13.990 4.594 255 1HG GLU 36 1HG GLU 36 11.365 -12.999 4.112 256 2HG GLU 36 2HG GLU 36 10.927 -11.513 4.951 257 H LYS 37 H LYS 37 8.161 -14.371 2.507 258 HA LYS 37 HA LYS 37 10.183 -14.856 0.794 259 1HB LYS 37 1HB LYS 37 7.257 -15.371 0.638 260 2HB LYS 37 2HB LYS 37 8.203 -15.648 -0.818 261 1HG LYS 37 1HG LYS 37 8.952 -16.848 1.829 262 2HG LYS 37 2HG LYS 37 7.834 -17.633 0.711 263 1HD LYS 37 1HD LYS 37 10.524 -16.707 -0.227 264 2HD LYS 37 2HD LYS 37 10.353 -18.244 0.624 265 1HE LYS 37 1HE LYS 37 8.533 -17.644 -1.659 266 2HE LYS 37 2HE LYS 37 10.197 -18.118 -1.998 267 1HZ LYS 37 1HZ LYS 37 8.014 -19.744 -1.262 268 2HZ LYS 37 2HZ LYS 37 9.226 -19.884 -0.091 269 3HZ LYS 37 3HZ LYS 37 9.577 -20.210 -1.713 270 H ARG 38 H ARG 38 7.337 -12.884 -0.063 271 HA ARG 38 HA ARG 38 8.402 -12.078 -2.575 272 1HB ARG 38 1HB ARG 38 5.954 -12.129 -1.910 273 2HB ARG 38 2HB ARG 38 6.257 -10.655 -1.001 274 1HG ARG 38 1HG ARG 38 6.838 -9.469 -3.000 275 2HG ARG 38 2HG ARG 38 6.753 -10.952 -3.954 276 1HD ARG 38 1HD ARG 38 4.425 -9.758 -2.458 277 2HD ARG 38 2HD ARG 38 4.754 -9.475 -4.167 278 HE ARG 38 HE ARG 38 4.068 -11.637 -4.642 279 1HH1 ARG 38 2HH1 ARG 38 4.187 -11.109 -1.203 280 2HH1 ARG 38 1HH1 ARG 38 3.311 -12.554 -0.819 281 1HH2 ARG 38 2HH2 ARG 38 2.914 -13.542 -4.149 282 2HH2 ARG 38 1HH2 ARG 38 2.588 -13.937 -2.496 283 H LEU 39 H LEU 39 8.057 -10.417 0.553 284 HA LEU 39 HA LEU 39 9.012 -7.940 0.001 285 1HB LEU 39 1HB LEU 39 9.403 -9.726 2.366 286 2HB LEU 39 2HB LEU 39 10.180 -8.145 2.318 287 HG LEU 39 HG LEU 39 8.005 -8.258 3.574 288 1HD1 LEU 39 1HD1 LEU 39 7.099 -6.176 2.464 289 2HD1 LEU 39 2HD1 LEU 39 8.370 -6.376 1.258 290 3HD1 LEU 39 3HD1 LEU 39 8.793 -6.123 2.952 291 1HD2 LEU 39 1HD2 LEU 39 6.759 -9.744 2.159 292 2HD2 LEU 39 2HD2 LEU 39 6.925 -8.648 0.786 293 3HD2 LEU 39 3HD2 LEU 39 5.951 -8.176 2.179 294 H LYS 40 H LYS 40 10.964 -10.850 0.509 295 HA LYS 40 HA LYS 40 13.500 -9.930 0.595 296 1HB LYS 40 1HB LYS 40 12.411 -12.239 -1.013 297 2HB LYS 40 2HB LYS 40 14.134 -11.938 -0.827 298 1HG LYS 40 1HG LYS 40 13.668 -11.996 1.696 299 2HG LYS 40 2HG LYS 40 12.132 -12.744 1.249 300 1HD LYS 40 1HD LYS 40 14.759 -13.793 0.237 301 2HD LYS 40 2HD LYS 40 14.097 -14.293 1.795 302 1HE LYS 40 1HE LYS 40 12.169 -15.226 0.771 303 2HE LYS 40 2HE LYS 40 12.552 -14.483 -0.781 304 1HZ LYS 40 1HZ LYS 40 13.234 -17.011 0.039 305 2HZ LYS 40 2HZ LYS 40 14.679 -16.138 0.133 306 3HZ LYS 40 3HZ LYS 40 13.822 -16.202 -1.325 307 H GLY 41 H GLY 41 11.556 -10.244 -2.364 308 1HA GLY 41 1HA GLY 41 13.568 -9.330 -4.133 309 2HA GLY 41 2HA GLY 41 11.843 -9.364 -4.466 310 H LEU 42 H LEU 42 10.607 -7.599 -3.155 311 HA LEU 42 HA LEU 42 11.186 -5.133 -4.163 312 1HB LEU 42 1HB LEU 42 9.786 -5.872 -1.606 313 2HB LEU 42 2HB LEU 42 9.852 -4.219 -2.214 314 HG LEU 42 HG LEU 42 8.664 -6.509 -3.770 315 1HD1 LEU 42 1HD1 LEU 42 7.334 -4.549 -1.910 316 2HD1 LEU 42 2HD1 LEU 42 7.369 -6.306 -1.769 317 3HD1 LEU 42 3HD1 LEU 42 6.475 -5.545 -3.085 318 1HD2 LEU 42 1HD2 LEU 42 7.466 -4.210 -4.586 319 2HD2 LEU 42 2HD2 LEU 42 8.850 -4.960 -5.382 320 3HD2 LEU 42 3HD2 LEU 42 9.099 -3.646 -4.231 321 H SER 43 H SER 43 12.365 -6.529 -1.148 322 HA SER 43 HA SER 43 13.481 -4.374 0.108 323 1HB SER 43 1HB SER 43 13.521 -6.674 1.008 324 2HB SER 43 2HB SER 43 14.757 -7.106 -0.173 325 HG SER 43 HG SER 43 16.105 -5.517 0.799 326 H LYS 44 H LYS 44 14.854 -6.221 -2.580 327 HA LYS 44 HA LYS 44 17.215 -4.555 -2.686 328 1HB LYS 44 1HB LYS 44 17.339 -6.954 -3.232 329 2HB LYS 44 2HB LYS 44 16.245 -6.700 -4.586 330 1HG LYS 44 1HG LYS 44 18.359 -6.769 -5.556 331 2HG LYS 44 2HG LYS 44 17.989 -5.046 -5.453 332 1HD LYS 44 1HD LYS 44 19.361 -4.821 -3.485 333 2HD LYS 44 2HD LYS 44 19.628 -6.565 -3.425 334 1HE LYS 44 1HE LYS 44 21.577 -5.568 -4.371 335 2HE LYS 44 2HE LYS 44 20.715 -6.390 -5.671 336 1HZ LYS 44 1HZ LYS 44 19.654 -4.002 -5.913 337 2HZ LYS 44 2HZ LYS 44 21.105 -4.414 -6.677 338 3HZ LYS 44 3HZ LYS 44 21.130 -3.534 -5.232 339 H GLN 45 H GLN 45 14.389 -5.156 -4.763 340 HA GLN 45 HA GLN 45 14.898 -3.516 -6.875 341 1HB GLN 45 1HB GLN 45 12.835 -4.940 -6.449 342 2HB GLN 45 2HB GLN 45 12.203 -3.585 -5.524 343 1HG GLN 45 1HG GLN 45 11.907 -2.273 -7.380 344 2HG GLN 45 2HG GLN 45 13.144 -3.119 -8.308 345 1HE2 GLN 45 1HE2 GLN 45 10.800 -2.589 -9.505 346 2HE2 GLN 45 2HE2 GLN 45 9.873 -4.033 -9.705 347 H LEU 46 H LEU 46 13.189 -2.467 -3.922 348 HA LEU 46 HA LEU 46 13.782 0.313 -4.626 349 1HB LEU 46 1HB LEU 46 11.972 -0.801 -2.488 350 2HB LEU 46 2HB LEU 46 12.147 0.901 -2.911 351 HG LEU 46 HG LEU 46 11.274 -1.001 -5.029 352 1HD1 LEU 46 1HD1 LEU 46 9.141 -1.270 -4.281 353 2HD1 LEU 46 2HD1 LEU 46 9.180 0.193 -3.297 354 3HD1 LEU 46 3HD1 LEU 46 9.987 -1.271 -2.734 355 1HD2 LEU 46 1HD2 LEU 46 9.847 1.488 -4.760 356 2HD2 LEU 46 2HD2 LEU 46 10.814 0.886 -6.107 357 3HD2 LEU 46 3HD2 LEU 46 11.589 1.760 -4.785 358 H ASP 47 H ASP 47 15.742 -1.638 -3.508 359 HA ASP 47 HA ASP 47 17.216 -1.871 -1.743 360 1HB ASP 47 1HB ASP 47 17.915 0.115 -3.225 361 2HB ASP 47 2HB ASP 47 17.340 1.133 -1.908 362 H TRP 48 H TRP 48 14.638 -1.889 -0.715 363 HA TRP 48 HA TRP 48 14.835 -0.207 1.691 364 1HB TRP 48 1HB TRP 48 12.540 -1.310 0.144 365 2HB TRP 48 2HB TRP 48 12.344 -1.130 1.885 366 HD1 TRP 48 HD TRP 48 14.480 1.483 0.192 367 HE1 TRP 48 1HE TRP 48 13.198 3.714 0.117 368 HE3 TRP 48 3HE TRP 48 9.880 -0.173 1.688 369 HZ2 TRP 48 2HZ TRP 48 10.583 4.648 0.625 370 HZ3 TRP 48 3HZ TRP 48 8.043 1.453 1.868 371 HH2 TRP 48 HH TRP 48 8.389 3.814 1.348 372 H SER 49 H SER 49 13.379 -1.472 3.509 373 HA SER 49 HA SER 49 14.755 -4.053 3.855 374 1HB SER 49 1HB SER 49 13.867 -2.002 5.888 375 2HB SER 49 2HB SER 49 14.386 -3.629 6.328 376 HG SER 49 HG SER 49 16.176 -2.344 6.449 377 H VAL 50 H VAL 50 13.611 -5.840 4.480 378 HA VAL 50 HA VAL 50 11.062 -6.272 3.658 379 HB VAL 50 HB VAL 50 12.519 -8.085 4.394 380 1HG1 VAL 50 1HG1 VAL 50 13.009 -8.548 6.663 381 2HG1 VAL 50 2HG1 VAL 50 13.356 -6.834 6.422 382 3HG1 VAL 50 3HG1 VAL 50 11.869 -7.329 7.232 383 1HG2 VAL 50 1HG2 VAL 50 9.762 -7.828 5.477 384 2HG2 VAL 50 2HG2 VAL 50 10.395 -8.922 4.247 385 3HG2 VAL 50 3HG2 VAL 50 10.720 -9.230 5.952 386 H ARG 51 H ARG 51 12.053 -5.053 6.825 387 HA ARG 51 HA ARG 51 9.412 -5.014 7.909 388 1HB ARG 51 1HB ARG 51 12.066 -3.905 8.746 389 2HB ARG 51 2HB ARG 51 10.605 -3.369 9.564 390 1HG ARG 51 1HG ARG 51 10.156 -5.493 10.414 391 2HG ARG 51 2HG ARG 51 11.234 -6.281 9.260 392 1HD ARG 51 1HD ARG 51 13.077 -4.863 10.426 393 2HD ARG 51 2HD ARG 51 11.901 -4.738 11.734 394 HE ARG 51 HE ARG 51 12.081 -7.422 11.088 395 1HH1 ARG 51 2HH1 ARG 51 14.189 -4.921 12.280 396 2HH1 ARG 51 1HH1 ARG 51 15.192 -6.012 13.176 397 1HH2 ARG 51 2HH2 ARG 51 13.396 -8.870 12.263 398 2HH2 ARG 51 1HH2 ARG 51 14.741 -8.258 13.165 399 H LYS 52 H LYS 52 11.599 -2.430 6.788 400 HA LYS 52 HA LYS 52 9.962 -0.252 7.104 401 1HB LYS 52 1HB LYS 52 12.357 -0.295 6.275 402 2HB LYS 52 2HB LYS 52 11.714 -0.662 4.680 403 1HG LYS 52 1HG LYS 52 10.417 1.444 4.767 404 2HG LYS 52 2HG LYS 52 11.199 1.820 6.304 405 1HD LYS 52 1HD LYS 52 13.367 1.850 5.240 406 2HD LYS 52 2HD LYS 52 12.659 1.330 3.709 407 1HE LYS 52 1HE LYS 52 13.024 3.681 3.571 408 2HE LYS 52 2HE LYS 52 11.288 3.423 3.733 409 1HZ LYS 52 1HZ LYS 52 11.825 5.169 5.184 410 2HZ LYS 52 2HZ LYS 52 13.187 4.374 5.795 411 3HZ LYS 52 3HZ LYS 52 11.637 3.816 6.183 412 H ILE 53 H ILE 53 10.044 -2.495 4.358 413 HA ILE 53 HA ILE 53 8.102 -1.172 2.801 414 HB ILE 53 HB ILE 53 8.690 -4.132 2.798 415 1HG1 ILE 53 1HG1 ILE 53 9.995 -2.060 1.041 416 2HG1 ILE 53 2HG1 ILE 53 10.699 -2.553 2.577 417 1HG2 ILE 53 1HG2 ILE 53 6.714 -3.611 1.546 418 2HG2 ILE 53 2HG2 ILE 53 7.526 -2.275 0.731 419 3HG2 ILE 53 3HG2 ILE 53 8.021 -3.936 0.408 420 1HD1 ILE 53 1HD1 ILE 53 10.480 -4.948 1.605 421 2HD1 ILE 53 2HD1 ILE 53 10.376 -4.109 0.057 422 3HD1 ILE 53 3HD1 ILE 53 11.798 -3.901 1.078 423 H GLN 54 H GLN 54 7.792 -4.065 4.866 424 HA GLN 54 HA GLN 54 5.199 -4.700 4.674 425 1HB GLN 54 1HB GLN 54 6.984 -4.541 7.070 426 2HB GLN 54 2HB GLN 54 5.292 -4.970 7.287 427 1HG GLN 54 1HG GLN 54 6.883 -6.425 5.239 428 2HG GLN 54 2HG GLN 54 7.133 -6.803 6.943 429 1HE2 GLN 54 1HE2 GLN 54 6.337 -8.913 6.030 430 2HE2 GLN 54 2HE2 GLN 54 4.633 -9.191 6.081 431 H CYS 55 H CYS 55 6.437 -1.932 6.501 432 HA CYS 55 HA CYS 55 4.031 -1.083 7.634 433 1HB CYS 55 1HB CYS 55 6.404 -0.244 8.101 434 2HB CYS 55 2HB CYS 55 6.194 0.796 6.697 435 HG CYS 55 HG CYS 55 5.744 2.474 8.778 436 H TRP 56 H TRP 56 5.522 -0.219 4.532 437 HA TRP 56 HA TRP 56 3.670 1.682 3.697 438 1HB TRP 56 1HB TRP 56 5.831 1.201 2.565 439 2HB TRP 56 2HB TRP 56 5.142 -0.297 1.945 440 HD1 TRP 56 HD TRP 56 5.236 3.428 1.315 441 HE1 TRP 56 1HE TRP 56 3.961 3.956 -0.858 442 HE3 TRP 56 3HE TRP 56 3.092 -1.141 0.501 443 HZ2 TRP 56 2HZ TRP 56 2.271 2.613 -2.677 444 HZ3 TRP 56 3HZ TRP 56 1.660 -1.436 -1.478 445 HH2 TRP 56 HH TRP 56 1.258 0.403 -3.032 446 H PHE 57 H PHE 57 3.714 -1.812 2.995 447 HA PHE 57 HA PHE 57 1.403 -1.980 1.496 448 1HB PHE 57 1HB PHE 57 2.894 -3.869 3.245 449 2HB PHE 57 2HB PHE 57 1.267 -4.334 2.758 450 HD1 PHE 57 1HD PHE 57 4.699 -3.849 1.693 451 HD2 PHE 57 2HD PHE 57 0.732 -4.667 0.384 452 HE1 PHE 57 1HE PHE 57 5.577 -4.633 -0.467 453 HE2 PHE 57 2HE PHE 57 1.604 -5.453 -1.778 454 HZ PHE 57 HZ PHE 57 4.029 -5.438 -2.206 455 H ARG 58 H ARG 58 1.734 -2.198 5.027 456 HA ARG 58 HA ARG 58 -0.956 -2.658 5.628 457 1HB ARG 58 1HB ARG 58 0.553 -2.995 7.390 458 2HB ARG 58 2HB ARG 58 1.315 -1.426 7.160 459 1HG ARG 58 1HG ARG 58 -0.286 -0.317 8.343 460 2HG ARG 58 2HG ARG 58 -1.548 -1.484 7.942 461 1HD ARG 58 1HD ARG 58 0.737 -1.939 9.858 462 2HD ARG 58 2HD ARG 58 -0.931 -1.590 10.310 463 HE ARG 58 HE ARG 58 -0.781 -3.871 8.626 464 1HH1 ARG 58 2HH1 ARG 58 -0.233 -2.800 11.893 465 2HH1 ARG 58 1HH1 ARG 58 -0.504 -4.363 12.590 466 1HH2 ARG 58 2HH2 ARG 58 -1.140 -5.934 9.532 467 2HH2 ARG 58 1HH2 ARG 58 -1.019 -6.145 11.246 468 H HIS 59 H HIS 59 0.829 0.430 5.628 469 HA HIS 59 HA HIS 59 -1.360 2.079 6.185 470 1HB HIS 59 1HB HIS 59 1.222 2.578 6.065 471 2HB HIS 59 2HB HIS 59 0.849 3.042 4.408 472 HD1 HIS 59 1HD HIS 59 1.369 5.522 4.878 473 HD2 HIS 59 2HD HIS 59 -1.684 3.962 7.225 474 HE1 HIS 59 1HE HIS 59 0.264 7.510 5.952 475 HE2 HIS 59 2HE HIS 59 -1.525 6.536 7.433 476 H ARG 60 H ARG 60 -0.153 0.782 3.150 477 HA ARG 60 HA ARG 60 -1.460 2.328 1.296 478 1HB ARG 60 1HB ARG 60 0.109 0.377 0.880 479 2HB ARG 60 2HB ARG 60 -1.281 -0.677 1.100 480 1HG ARG 60 1HG ARG 60 -1.021 -0.386 -1.224 481 2HG ARG 60 2HG ARG 60 -2.404 0.603 -0.753 482 1HD ARG 60 1HD ARG 60 0.302 1.846 -0.795 483 2HD ARG 60 2HD ARG 60 -0.517 1.550 -2.328 484 HE ARG 60 HE ARG 60 -2.183 2.889 -0.427 485 1HH1 ARG 60 2HH1 ARG 60 0.325 3.337 -2.799 486 2HH1 ARG 60 1HH1 ARG 60 -0.092 4.988 -3.119 487 1HH2 ARG 60 2HH2 ARG 60 -2.741 5.062 -0.839 488 2HH2 ARG 60 1HH2 ARG 60 -1.836 5.969 -2.002 489 H ARG 61 H ARG 61 -2.747 -0.763 2.537 490 HA ARG 61 HA ARG 61 -5.208 -0.853 1.509 491 1HB ARG 61 1HB ARG 61 -4.240 -1.477 4.268 492 2HB ARG 61 2HB ARG 61 -5.961 -1.595 3.925 493 1HG ARG 61 1HG ARG 61 -5.366 -3.115 2.012 494 2HG ARG 61 2HG ARG 61 -3.718 -3.130 2.644 495 1HD ARG 61 1HD ARG 61 -4.542 -4.976 3.700 496 2HD ARG 61 2HD ARG 61 -4.971 -3.747 4.889 497 HE ARG 61 HE ARG 61 -7.195 -4.056 4.377 498 1HH1 ARG 61 2HH1 ARG 61 -5.200 -5.716 2.057 499 2HH1 ARG 61 1HH1 ARG 61 -6.521 -6.583 1.347 500 1HH2 ARG 61 2HH2 ARG 61 -8.943 -5.192 3.451 501 2HH2 ARG 61 1HH2 ARG 61 -8.650 -6.284 2.140 502 H ASN 62 H ASN 62 -4.543 0.950 4.518 503 HA ASN 62 HA ASN 62 -6.971 2.090 4.973 504 1HB ASN 62 1HB ASN 62 -4.396 3.652 5.207 505 2HB ASN 62 2HB ASN 62 -5.855 3.828 6.180 506 1HD2 ASN 62 1HD2 ASN 62 -6.513 1.530 7.115 507 2HD2 ASN 62 2HD2 ASN 62 -5.233 0.747 7.972 508 H GLN 63 H GLN 63 -4.412 3.572 2.976 509 HA GLN 63 HA GLN 63 -5.913 5.747 2.077 510 1HB GLN 63 1HB GLN 63 -3.594 4.289 0.810 511 2HB GLN 63 2HB GLN 63 -4.268 5.778 0.160 512 1HG GLN 63 1HG GLN 63 -3.847 6.626 2.624 513 2HG GLN 63 2HG GLN 63 -2.650 5.332 2.604 514 1HE2 GLN 63 1HE2 GLN 63 -1.000 6.891 2.780 515 2HE2 GLN 63 2HE2 GLN 63 -0.503 7.827 1.416 516 H ASP 64 H ASP 64 -5.374 2.581 0.550 517 HA ASP 64 HA ASP 64 -6.562 2.742 -1.831 518 1HB ASP 64 1HB ASP 64 -5.824 0.650 -0.426 519 2HB ASP 64 2HB ASP 64 -7.542 0.542 -0.049 520 H LYS 65 H LYS 65 -8.376 2.484 1.214 521 HA LYS 65 HA LYS 65 -10.934 2.645 -0.013 522 1HB LYS 65 1HB LYS 65 -10.669 1.645 2.185 523 2HB LYS 65 2HB LYS 65 -10.068 3.164 2.836 524 1HG LYS 65 1HG LYS 65 -12.216 3.295 3.545 525 2HG LYS 65 2HG LYS 65 -12.408 4.039 1.956 526 1HD LYS 65 1HD LYS 65 -14.152 2.484 2.076 527 2HD LYS 65 2HD LYS 65 -12.913 1.669 1.118 528 1HE LYS 65 1HE LYS 65 -12.361 0.219 2.829 529 2HE LYS 65 2HE LYS 65 -12.970 1.300 4.081 530 1HZ LYS 65 1HZ LYS 65 -14.463 -0.537 2.333 531 2HZ LYS 65 2HZ LYS 65 -15.237 0.826 2.969 532 3HZ LYS 65 3HZ LYS 65 -14.571 -0.330 4.009 533 HA PRO 66 HA PRO 66 -11.168 6.979 -0.797 534 1HB PRO 66 1HB PRO 66 -13.867 7.199 -0.990 535 2HB PRO 66 2HB PRO 66 -12.870 6.464 -2.251 536 1HG PRO 66 1HG PRO 66 -14.483 5.144 -0.103 537 2HG PRO 66 2HG PRO 66 -14.331 4.708 -1.815 538 1HD PRO 66 1HD PRO 66 -12.973 3.421 0.142 539 2HD PRO 66 2HD PRO 66 -12.316 3.637 -1.493 540 H SER 67 H SER 67 -10.829 8.481 0.707 541 HA SER 67 HA SER 67 -12.816 8.846 2.826 542 1HB SER 67 1HB SER 67 -11.065 7.514 3.870 543 2HB SER 67 2HB SER 67 -9.832 8.637 3.300 544 HG SER 67 HG SER 67 -10.268 9.215 5.377 545 H GLY 68 H GLY 68 -13.488 10.880 2.766 546 1HA GLY 68 1HA GLY 68 -12.635 13.216 3.190 547 2HA GLY 68 2HA GLY 68 -11.609 12.940 1.790 548 HA PRO 69 HA PRO 69 -16.065 14.453 0.738 549 1HB PRO 69 1HB PRO 69 -15.777 17.147 0.909 550 2HB PRO 69 2HB PRO 69 -16.348 16.155 2.256 551 1HG PRO 69 1HG PRO 69 -13.611 17.249 1.737 552 2HG PRO 69 2HG PRO 69 -14.520 17.185 3.258 553 1HD PRO 69 1HD PRO 69 -12.569 15.409 2.651 554 2HD PRO 69 2HD PRO 69 -13.984 14.974 3.631 555 H SER 70 H SER 70 -16.612 15.829 -1.161 556 HA SER 70 HA SER 70 -14.317 16.394 -2.899 557 1HB SER 70 1HB SER 70 -15.224 14.109 -3.408 558 2HB SER 70 2HB SER 70 -16.757 14.869 -3.834 559 HG SER 70 HG SER 70 -14.682 14.511 -5.390 560 H SER 71 H SER 71 -14.910 17.713 -4.799 561 HA SER 71 HA SER 71 -17.242 19.427 -4.242 562 1HB SER 71 1HB SER 71 -14.432 20.168 -5.017 563 2HB SER 71 2HB SER 71 -15.780 21.245 -5.380 564 HG SER 71 HG SER 71 -15.676 20.258 -2.794 565 H GLY 72 H GLY 72 -18.712 19.328 -5.797 566 1HA GLY 72 1HA GLY 72 -17.803 18.705 -8.539 567 2HA GLY 72 2HA GLY 72 -19.353 18.203 -7.882 Start of MODEL 18 1 1H GLY 1 H GLY 1 4.258 11.024 12.768 2 1HA GLY 1 1HA GLY 1 2.419 11.262 14.409 3 2HA GLY 1 2HA GLY 1 1.788 11.028 12.785 4 H SER 2 H SER 2 2.340 9.551 15.898 5 HA SER 2 HA SER 2 1.205 7.014 15.147 6 1HB SER 2 1HB SER 2 2.903 7.140 16.915 7 2HB SER 2 2HB SER 2 1.833 8.153 17.883 8 HG SER 2 HG SER 2 0.582 6.457 18.316 9 H SER 3 H SER 3 0.186 9.529 17.466 10 HA SER 3 HA SER 3 -2.607 8.830 16.843 11 1HB SER 3 1HB SER 3 -1.423 9.536 19.537 12 2HB SER 3 2HB SER 3 -3.151 9.395 19.218 13 HG SER 3 HG SER 3 -1.174 7.382 19.166 14 H GLY 4 H GLY 4 -3.722 10.463 16.014 15 1HA GLY 4 1HA GLY 4 -3.702 13.089 17.060 16 2HA GLY 4 2HA GLY 4 -2.698 13.030 15.618 17 H SER 5 H SER 5 -3.754 12.056 13.661 18 HA SER 5 HA SER 5 -5.354 12.266 12.052 19 1HB SER 5 1HB SER 5 -6.306 10.507 13.753 20 2HB SER 5 2HB SER 5 -7.472 11.779 14.118 21 HG SER 5 HG SER 5 -6.949 10.974 11.463 22 H SER 6 H SER 6 -4.565 14.692 13.075 23 HA SER 6 HA SER 6 -6.920 16.293 12.552 24 1HB SER 6 1HB SER 6 -6.780 15.865 15.084 25 2HB SER 6 2HB SER 6 -5.357 16.906 15.056 26 HG SER 6 HG SER 6 -6.584 18.608 14.595 27 H GLY 7 H GLY 7 -6.345 18.649 12.394 28 1HA GLY 7 1HA GLY 7 -4.527 20.279 12.204 29 2HA GLY 7 2HA GLY 7 -3.526 18.979 11.573 30 H GLY 8 H GLY 8 -6.865 19.833 10.727 31 1HA GLY 8 1HA GLY 8 -7.672 20.823 8.775 32 2HA GLY 8 2HA GLY 8 -6.023 20.934 8.179 33 H ILE 9 H ILE 9 -8.949 19.369 7.840 34 HA ILE 9 HA ILE 9 -7.675 17.166 6.351 35 HB ILE 9 HB ILE 9 -8.834 16.211 8.222 36 1HG1 ILE 9 1HG1 ILE 9 -10.811 15.804 6.009 37 2HG1 ILE 9 2HG1 ILE 9 -9.135 15.322 5.767 38 1HG2 ILE 9 1HG2 ILE 9 -11.550 16.924 7.649 39 2HG2 ILE 9 2HG2 ILE 9 -10.632 17.131 9.140 40 3HG2 ILE 9 3HG2 ILE 9 -10.584 18.379 7.895 41 1HD1 ILE 9 1HD1 ILE 9 -10.458 13.445 6.506 42 2HD1 ILE 9 2HD1 ILE 9 -9.285 13.885 7.748 43 3HD1 ILE 9 3HD1 ILE 9 -10.978 14.341 7.933 44 H LYS 10 H LYS 10 -10.035 19.710 6.373 45 HA LYS 10 HA LYS 10 -11.730 19.184 4.329 46 1HB LYS 10 1HB LYS 10 -10.388 21.673 5.253 47 2HB LYS 10 2HB LYS 10 -11.233 21.737 3.712 48 1HG LYS 10 1HG LYS 10 -12.891 22.386 5.146 49 2HG LYS 10 2HG LYS 10 -13.182 20.647 5.072 50 1HD LYS 10 1HD LYS 10 -11.325 21.675 7.157 51 2HD LYS 10 2HD LYS 10 -13.055 21.942 7.378 52 1HE LYS 10 1HE LYS 10 -11.967 19.230 6.700 53 2HE LYS 10 2HE LYS 10 -12.008 19.809 8.365 54 1HZ LYS 10 1HZ LYS 10 -14.505 20.231 7.085 55 2HZ LYS 10 2HZ LYS 10 -14.160 19.358 8.491 56 3HZ LYS 10 3HZ LYS 10 -14.059 18.603 6.981 57 H ASP 11 H ASP 11 -8.489 20.606 3.888 58 HA ASP 11 HA ASP 11 -8.602 19.804 1.062 59 1HB ASP 11 1HB ASP 11 -7.008 21.910 2.513 60 2HB ASP 11 2HB ASP 11 -6.584 21.377 0.888 61 H SER 12 H SER 12 -8.105 17.597 1.578 62 HA SER 12 HA SER 12 -5.434 17.085 2.649 63 1HB SER 12 1HB SER 12 -6.104 14.811 2.907 64 2HB SER 12 2HB SER 12 -7.477 15.789 3.426 65 HG SER 12 HG SER 12 -7.663 13.900 1.774 66 HA PRO 13 HA PRO 13 -4.021 16.859 -1.597 67 1HB PRO 13 1HB PRO 13 -1.402 16.540 -0.961 68 2HB PRO 13 2HB PRO 13 -2.216 18.108 -0.918 69 1HG PRO 13 1HG PRO 13 -1.599 16.232 1.332 70 2HG PRO 13 2HG PRO 13 -1.436 17.996 1.270 71 1HD PRO 13 1HD PRO 13 -3.529 16.768 2.470 72 2HD PRO 13 2HD PRO 13 -3.680 18.344 1.666 73 H VAL 14 H VAL 14 -3.952 15.117 -2.869 74 HA VAL 14 HA VAL 14 -3.786 12.483 -1.711 75 HB VAL 14 HB VAL 14 -5.362 13.032 -3.560 76 1HG1 VAL 14 1HG1 VAL 14 -4.674 14.012 -5.429 77 2HG1 VAL 14 2HG1 VAL 14 -3.041 14.075 -4.763 78 3HG1 VAL 14 3HG1 VAL 14 -3.542 12.697 -5.744 79 1HG2 VAL 14 1HG2 VAL 14 -4.318 10.986 -5.029 80 2HG2 VAL 14 2HG2 VAL 14 -3.508 10.764 -3.479 81 3HG2 VAL 14 3HG2 VAL 14 -5.269 10.789 -3.557 82 H ASN 15 H ASN 15 -1.395 13.832 -1.315 83 HA ASN 15 HA ASN 15 0.586 13.412 -3.241 84 1HB ASN 15 1HB ASN 15 0.569 13.820 -0.287 85 2HB ASN 15 2HB ASN 15 2.059 13.246 -1.031 86 1HD2 ASN 15 1HD2 ASN 15 3.178 15.121 -0.606 87 2HD2 ASN 15 2HD2 ASN 15 2.860 16.606 -1.430 88 H LYS 16 H LYS 16 2.451 11.869 -2.981 89 HA LYS 16 HA LYS 16 1.380 9.169 -2.711 90 1HB LYS 16 1HB LYS 16 3.828 10.337 -4.000 91 2HB LYS 16 2HB LYS 16 3.731 8.613 -3.670 92 1HG LYS 16 1HG LYS 16 1.527 8.666 -4.954 93 2HG LYS 16 2HG LYS 16 2.035 10.262 -5.512 94 1HD LYS 16 1HD LYS 16 2.754 8.770 -7.182 95 2HD LYS 16 2HD LYS 16 4.202 9.137 -6.242 96 1HE LYS 16 1HE LYS 16 4.187 6.790 -6.630 97 2HE LYS 16 2HE LYS 16 3.772 7.042 -4.936 98 1HZ LYS 16 1HZ LYS 16 2.333 5.394 -5.913 99 2HZ LYS 16 2HZ LYS 16 1.865 6.462 -7.138 100 3HZ LYS 16 3HZ LYS 16 1.428 6.772 -5.533 101 H VAL 17 H VAL 17 1.601 8.128 -0.853 102 HA VAL 17 HA VAL 17 2.902 8.899 1.401 103 HB VAL 17 HB VAL 17 2.929 6.554 2.129 104 1HG1 VAL 17 1HG1 VAL 17 0.533 7.686 0.757 105 2HG1 VAL 17 2HG1 VAL 17 0.448 6.072 1.467 106 3HG1 VAL 17 3HG1 VAL 17 0.842 7.463 2.478 107 1HG2 VAL 17 1HG2 VAL 17 2.375 6.020 -0.777 108 2HG2 VAL 17 2HG2 VAL 17 3.673 5.373 0.226 109 3HG2 VAL 17 3HG2 VAL 17 2.011 4.848 0.489 110 H GLU 18 H GLU 18 4.253 6.670 -1.035 111 HA GLU 18 HA GLU 18 6.904 7.715 -0.575 112 1HB GLU 18 1HB GLU 18 6.025 5.110 0.519 113 2HB GLU 18 2HB GLU 18 7.571 5.108 -0.318 114 1HG GLU 18 1HG GLU 18 8.588 6.393 1.253 115 2HG GLU 18 2HG GLU 18 7.104 7.242 1.682 116 HA PRO 19 HA PRO 19 7.560 6.549 -4.752 117 1HB PRO 19 1HB PRO 19 10.159 5.764 -4.767 118 2HB PRO 19 2HB PRO 19 9.667 7.452 -4.586 119 1HG PRO 19 1HG PRO 19 10.488 5.483 -2.485 120 2HG PRO 19 2HG PRO 19 10.935 7.191 -2.655 121 1HD PRO 19 1HD PRO 19 9.026 6.350 -0.929 122 2HD PRO 19 2HD PRO 19 8.957 7.931 -1.733 123 H ASN 20 H ASN 20 7.335 4.273 -2.389 124 HA ASN 20 HA ASN 20 8.206 1.977 -3.918 125 1HB ASN 20 1HB ASN 20 7.045 2.413 -1.196 126 2HB ASN 20 2HB ASN 20 6.944 0.807 -1.913 127 1HD2 ASN 20 1HD2 ASN 20 9.476 3.270 -2.103 128 2HD2 ASN 20 2HD2 ASN 20 10.727 2.285 -1.432 129 H ASP 21 H ASP 21 6.198 3.605 -5.158 130 HA ASP 21 HA ASP 21 3.590 2.697 -4.905 131 1HB ASP 21 1HB ASP 21 3.203 3.557 -7.122 132 2HB ASP 21 2HB ASP 21 4.338 4.628 -6.305 133 H THR 22 H THR 22 6.277 1.329 -6.737 134 HA THR 22 HA THR 22 5.209 -0.502 -8.367 135 HB THR 22 HB THR 22 7.515 -0.826 -6.465 136 HG1 THR 22 1HG THR 22 8.581 -0.846 -8.613 137 1HG2 THR 22 1HG2 THR 22 8.056 -2.843 -8.015 138 2HG2 THR 22 2HG2 THR 22 6.316 -2.868 -8.298 139 3HG2 THR 22 3HG2 THR 22 6.946 -3.068 -6.664 140 H LEU 23 H LEU 23 5.033 -0.590 -4.881 141 HA LEU 23 HA LEU 23 4.117 -3.279 -4.666 142 1HB LEU 23 1HB LEU 23 4.116 -0.911 -2.829 143 2HB LEU 23 2HB LEU 23 3.295 -2.406 -2.384 144 HG LEU 23 HG LEU 23 5.337 -3.613 -2.325 145 1HD1 LEU 23 1HD1 LEU 23 6.695 -1.161 -3.434 146 2HD1 LEU 23 2HD1 LEU 23 6.344 -2.634 -4.338 147 3HD1 LEU 23 3HD1 LEU 23 7.473 -2.679 -2.984 148 1HD2 LEU 23 1HD2 LEU 23 5.841 -2.783 -0.331 149 2HD2 LEU 23 2HD2 LEU 23 4.861 -1.366 -0.711 150 3HD2 LEU 23 3HD2 LEU 23 6.590 -1.364 -1.063 151 H GLU 24 H GLU 24 2.482 -0.125 -4.655 152 HA GLU 24 HA GLU 24 -0.088 -0.740 -4.130 153 1HB GLU 24 1HB GLU 24 0.400 1.506 -4.664 154 2HB GLU 24 2HB GLU 24 1.038 1.078 -6.246 155 1HG GLU 24 1HG GLU 24 -1.816 0.492 -5.664 156 2HG GLU 24 2HG GLU 24 -1.337 2.161 -5.969 157 H LYS 25 H LYS 25 1.699 -1.684 -6.970 158 HA LYS 25 HA LYS 25 -0.619 -2.617 -8.406 159 1HB LYS 25 1HB LYS 25 1.744 -1.807 -9.289 160 2HB LYS 25 2HB LYS 25 2.145 -3.509 -9.098 161 1HG LYS 25 1HG LYS 25 1.452 -3.478 -11.273 162 2HG LYS 25 2HG LYS 25 -0.066 -3.865 -10.459 163 1HD LYS 25 1HD LYS 25 -0.846 -1.638 -10.655 164 2HD LYS 25 2HD LYS 25 0.749 -1.044 -11.122 165 1HE LYS 25 1HE LYS 25 0.611 -2.284 -13.214 166 2HE LYS 25 2HE LYS 25 -0.960 -2.931 -12.742 167 1HZ LYS 25 1HZ LYS 25 -1.008 -0.979 -14.288 168 2HZ LYS 25 2HZ LYS 25 -0.433 -0.028 -13.013 169 3HZ LYS 25 3HZ LYS 25 -1.932 -0.802 -12.882 170 H VAL 26 H VAL 26 2.303 -4.367 -7.345 171 HA VAL 26 HA VAL 26 1.420 -6.930 -7.567 172 HB VAL 26 HB VAL 26 3.671 -5.882 -6.586 173 1HG1 VAL 26 1HG1 VAL 26 3.956 -6.273 -4.253 174 2HG1 VAL 26 2HG1 VAL 26 2.505 -5.287 -4.448 175 3HG1 VAL 26 3HG1 VAL 26 2.361 -7.014 -4.122 176 1HG2 VAL 26 1HG2 VAL 26 2.546 -8.513 -6.842 177 2HG2 VAL 26 2HG2 VAL 26 4.211 -7.982 -7.079 178 3HG2 VAL 26 3HG2 VAL 26 3.656 -8.454 -5.473 179 H PHE 27 H PHE 27 0.699 -4.670 -4.964 180 HA PHE 27 HA PHE 27 -0.418 -6.342 -3.082 181 1HB PHE 27 1HB PHE 27 -0.202 -4.081 -2.474 182 2HB PHE 27 2HB PHE 27 -1.077 -3.523 -3.897 183 HD1 PHE 27 1HD PHE 27 -1.304 -4.421 -0.454 184 HD2 PHE 27 2HD PHE 27 -3.562 -4.037 -4.041 185 HE1 PHE 27 1HE PHE 27 -3.378 -4.330 0.866 186 HE2 PHE 27 2HE PHE 27 -5.640 -3.944 -2.727 187 HZ PHE 27 HZ PHE 27 -5.550 -4.090 -0.270 188 H VAL 28 H VAL 28 -2.007 -4.878 -5.901 189 HA VAL 28 HA VAL 28 -4.316 -6.645 -5.453 190 HB VAL 28 HB VAL 28 -4.956 -4.325 -5.571 191 1HG1 VAL 28 1HG1 VAL 28 -3.676 -2.922 -6.730 192 2HG1 VAL 28 2HG1 VAL 28 -2.955 -4.241 -7.654 193 3HG1 VAL 28 3HG1 VAL 28 -4.472 -3.515 -8.187 194 1HG2 VAL 28 1HG2 VAL 28 -6.159 -6.268 -6.926 195 2HG2 VAL 28 2HG2 VAL 28 -6.738 -4.602 -6.964 196 3HG2 VAL 28 3HG2 VAL 28 -5.749 -5.222 -8.286 197 H SER 29 H SER 29 -1.536 -6.822 -7.010 198 HA SER 29 HA SER 29 -2.630 -7.825 -9.542 199 1HB SER 29 1HB SER 29 -0.569 -6.174 -9.261 200 2HB SER 29 2HB SER 29 0.310 -7.686 -9.037 201 HG SER 29 HG SER 29 -0.284 -8.331 -11.059 202 H VAL 30 H VAL 30 -0.403 -8.763 -6.934 203 HA VAL 30 HA VAL 30 -0.750 -11.574 -7.742 204 HB VAL 30 HB VAL 30 1.327 -12.100 -6.748 205 1HG1 VAL 30 1HG1 VAL 30 1.763 -11.166 -8.845 206 2HG1 VAL 30 2HG1 VAL 30 1.407 -9.528 -8.292 207 3HG1 VAL 30 3HG1 VAL 30 2.884 -10.336 -7.766 208 1HG2 VAL 30 1HG2 VAL 30 2.647 -10.449 -5.456 209 2HG2 VAL 30 2HG2 VAL 30 1.280 -9.337 -5.536 210 3HG2 VAL 30 3HG2 VAL 30 1.120 -10.872 -4.681 211 H THR 31 H THR 31 -0.583 -9.443 -4.908 212 HA THR 31 HA THR 31 -2.706 -10.734 -3.573 213 HB THR 31 HB THR 31 -1.014 -12.519 -3.270 214 HG1 THR 31 1HG THR 31 -2.558 -12.325 -1.654 215 1HG2 THR 31 1HG2 THR 31 0.557 -11.203 -1.245 216 2HG2 THR 31 2HG2 THR 31 0.718 -10.369 -2.791 217 3HG2 THR 31 3HG2 THR 31 1.091 -12.089 -2.673 218 H LYS 32 H LYS 32 -3.392 -9.586 -1.791 219 HA LYS 32 HA LYS 32 -2.295 -6.949 -1.496 220 1HB LYS 32 1HB LYS 32 -4.485 -8.270 0.113 221 2HB LYS 32 2HB LYS 32 -4.153 -6.546 0.008 222 1HG LYS 32 1HG LYS 32 -4.679 -6.660 -2.422 223 2HG LYS 32 2HG LYS 32 -5.169 -8.339 -2.185 224 1HD LYS 32 1HD LYS 32 -7.031 -7.759 -0.948 225 2HD LYS 32 2HD LYS 32 -6.352 -6.203 -0.464 226 1HE LYS 32 1HE LYS 32 -7.888 -5.502 -2.005 227 2HE LYS 32 2HE LYS 32 -6.487 -5.726 -3.053 228 1HZ LYS 32 1HZ LYS 32 -8.836 -6.759 -3.610 229 2HZ LYS 32 2HZ LYS 32 -8.244 -8.024 -2.655 230 3HZ LYS 32 3HZ LYS 32 -7.395 -7.538 -4.035 231 H TYR 33 H TYR 33 -2.300 -9.924 0.365 232 HA TYR 33 HA TYR 33 -0.702 -8.604 2.452 233 1HB TYR 33 1HB TYR 33 -2.076 -11.293 2.597 234 2HB TYR 33 2HB TYR 33 -1.320 -10.418 3.924 235 HD1 TYR 33 1HD TYR 33 -2.333 -8.137 4.552 236 HD2 TYR 33 2HD TYR 33 -4.348 -11.011 2.146 237 HE1 TYR 33 1HE TYR 33 -4.481 -7.053 5.066 238 HE2 TYR 33 2HE TYR 33 -6.501 -9.935 2.653 239 HH TYR 33 HH TYR 33 -6.780 -6.896 3.938 240 HA PRO 34 HA PRO 34 2.392 -11.054 0.071 241 1HB PRO 34 1HB PRO 34 4.383 -9.234 0.381 242 2HB PRO 34 2HB PRO 34 3.182 -9.133 -0.912 243 1HG PRO 34 1HG PRO 34 3.279 -7.678 1.702 244 2HG PRO 34 2HG PRO 34 2.874 -7.058 0.091 245 1HD PRO 34 1HD PRO 34 0.985 -7.682 1.928 246 2HD PRO 34 2HD PRO 34 0.718 -7.867 0.183 247 H ASP 35 H ASP 35 4.268 -12.127 0.815 248 HA ASP 35 HA ASP 35 4.658 -11.992 3.733 249 1HB ASP 35 1HB ASP 35 3.659 -14.124 2.538 250 2HB ASP 35 2HB ASP 35 5.352 -14.446 2.174 251 H GLU 36 H GLU 36 6.860 -12.930 4.387 252 HA GLU 36 HA GLU 36 8.910 -11.336 3.801 253 1HB GLU 36 1HB GLU 36 8.827 -14.226 4.511 254 2HB GLU 36 2HB GLU 36 10.376 -13.551 4.025 255 1HG GLU 36 1HG GLU 36 10.505 -13.197 6.259 256 2HG GLU 36 2HG GLU 36 9.720 -11.694 5.780 257 H LYS 37 H LYS 37 8.106 -14.226 1.901 258 HA LYS 37 HA LYS 37 10.155 -14.249 0.082 259 1HB LYS 37 1HB LYS 37 7.267 -14.990 -0.081 260 2HB LYS 37 2HB LYS 37 8.213 -14.980 -1.563 261 1HG LYS 37 1HG LYS 37 9.713 -16.621 -0.708 262 2HG LYS 37 2HG LYS 37 9.002 -16.509 0.904 263 1HD LYS 37 1HD LYS 37 7.227 -17.220 -1.377 264 2HD LYS 37 2HD LYS 37 8.343 -18.446 -0.772 265 1HE LYS 37 1HE LYS 37 7.290 -18.600 1.254 266 2HE LYS 37 2HE LYS 37 6.713 -16.935 1.203 267 1HZ LYS 37 1HZ LYS 37 5.601 -19.290 -0.203 268 2HZ LYS 37 2HZ LYS 37 5.191 -17.707 -0.633 269 3HZ LYS 37 3HZ LYS 37 4.831 -18.283 0.916 270 H ARG 38 H ARG 38 7.081 -12.478 -0.294 271 HA ARG 38 HA ARG 38 7.804 -11.169 -2.678 272 1HB ARG 38 1HB ARG 38 5.481 -11.439 -1.525 273 2HB ARG 38 2HB ARG 38 5.914 -9.953 -0.691 274 1HG ARG 38 1HG ARG 38 4.810 -9.065 -2.459 275 2HG ARG 38 2HG ARG 38 6.427 -9.150 -3.161 276 1HD ARG 38 1HD ARG 38 4.388 -11.345 -3.452 277 2HD ARG 38 2HD ARG 38 4.544 -10.018 -4.604 278 HE ARG 38 HE ARG 38 7.061 -11.036 -4.422 279 1HH1 ARG 38 2HH1 ARG 38 3.931 -12.381 -5.138 280 2HH1 ARG 38 1HH1 ARG 38 4.556 -13.618 -6.178 281 1HH2 ARG 38 2HH2 ARG 38 7.896 -12.661 -5.788 282 2HH2 ARG 38 1HH2 ARG 38 6.812 -13.777 -6.546 283 H LEU 39 H LEU 39 8.430 -10.459 0.674 284 HA LEU 39 HA LEU 39 9.239 -7.741 0.236 285 1HB LEU 39 1HB LEU 39 9.453 -9.648 2.540 286 2HB LEU 39 2HB LEU 39 10.246 -8.074 2.577 287 HG LEU 39 HG LEU 39 8.012 -8.233 3.743 288 1HD1 LEU 39 1HD1 LEU 39 8.828 -6.078 3.320 289 2HD1 LEU 39 2HD1 LEU 39 7.190 -6.074 2.668 290 3HD1 LEU 39 3HD1 LEU 39 8.570 -6.226 1.581 291 1HD2 LEU 39 1HD2 LEU 39 7.077 -8.467 0.888 292 2HD2 LEU 39 2HD2 LEU 39 6.035 -8.000 2.232 293 3HD2 LEU 39 3HD2 LEU 39 6.786 -9.596 2.212 294 H LYS 40 H LYS 40 10.782 -10.860 0.208 295 HA LYS 40 HA LYS 40 13.441 -10.197 0.588 296 1HB LYS 40 1HB LYS 40 12.146 -12.276 -1.167 297 2HB LYS 40 2HB LYS 40 13.892 -12.147 -1.003 298 1HG LYS 40 1HG LYS 40 11.998 -12.564 1.299 299 2HG LYS 40 2HG LYS 40 12.864 -13.856 0.465 300 1HD LYS 40 1HD LYS 40 14.958 -12.361 1.011 301 2HD LYS 40 2HD LYS 40 13.903 -11.727 2.277 302 1HE LYS 40 1HE LYS 40 15.110 -13.498 3.265 303 2HE LYS 40 2HE LYS 40 13.494 -14.130 2.954 304 1HZ LYS 40 1HZ LYS 40 14.612 -15.811 2.018 305 2HZ LYS 40 2HZ LYS 40 16.031 -14.914 1.813 306 3HZ LYS 40 3HZ LYS 40 14.773 -14.774 0.691 307 H GLY 41 H GLY 41 11.640 -10.269 -2.489 308 1HA GLY 41 1HA GLY 41 13.807 -9.271 -4.038 309 2HA GLY 41 2HA GLY 41 12.124 -9.343 -4.539 310 H LEU 42 H LEU 42 10.736 -7.674 -3.167 311 HA LEU 42 HA LEU 42 11.223 -5.163 -4.082 312 1HB LEU 42 1HB LEU 42 9.866 -5.999 -1.530 313 2HB LEU 42 2HB LEU 42 9.839 -4.347 -2.142 314 HG LEU 42 HG LEU 42 8.749 -6.723 -3.646 315 1HD1 LEU 42 1HD1 LEU 42 7.092 -4.648 -2.259 316 2HD1 LEU 42 2HD1 LEU 42 7.617 -6.109 -1.422 317 3HD1 LEU 42 3HD1 LEU 42 6.614 -6.233 -2.867 318 1HD2 LEU 42 1HD2 LEU 42 9.278 -3.988 -4.340 319 2HD2 LEU 42 2HD2 LEU 42 7.546 -4.312 -4.420 320 3HD2 LEU 42 3HD2 LEU 42 8.673 -5.302 -5.349 321 H SER 43 H SER 43 12.475 -6.603 -1.122 322 HA SER 43 HA SER 43 13.512 -4.398 0.162 323 1HB SER 43 1HB SER 43 13.625 -6.515 1.256 324 2HB SER 43 2HB SER 43 14.582 -7.215 -0.049 325 HG SER 43 HG SER 43 15.437 -5.105 1.648 326 H LYS 44 H LYS 44 14.862 -6.200 -2.552 327 HA LYS 44 HA LYS 44 17.233 -4.519 -2.619 328 1HB LYS 44 1HB LYS 44 17.172 -7.037 -3.129 329 2HB LYS 44 2HB LYS 44 16.461 -6.582 -4.673 330 1HG LYS 44 1HG LYS 44 18.398 -5.542 -5.405 331 2HG LYS 44 2HG LYS 44 19.035 -5.358 -3.770 332 1HD LYS 44 1HD LYS 44 19.510 -7.693 -3.615 333 2HD LYS 44 2HD LYS 44 18.645 -8.025 -5.118 334 1HE LYS 44 1HE LYS 44 21.016 -8.062 -5.541 335 2HE LYS 44 2HE LYS 44 20.309 -6.652 -6.329 336 1HZ LYS 44 1HZ LYS 44 22.473 -6.590 -4.740 337 2HZ LYS 44 2HZ LYS 44 21.254 -6.174 -3.644 338 3HZ LYS 44 3HZ LYS 44 21.476 -5.258 -5.049 339 H GLN 45 H GLN 45 14.375 -5.167 -4.615 340 HA GLN 45 HA GLN 45 14.916 -3.591 -6.803 341 1HB GLN 45 1HB GLN 45 12.922 -5.052 -6.533 342 2HB GLN 45 2HB GLN 45 12.227 -3.854 -5.449 343 1HG GLN 45 1HG GLN 45 11.857 -2.334 -7.149 344 2HG GLN 45 2HG GLN 45 13.054 -3.076 -8.209 345 1HE2 GLN 45 1HE2 GLN 45 11.265 -2.884 -9.760 346 2HE2 GLN 45 2HE2 GLN 45 10.106 -4.163 -9.838 347 H LEU 46 H LEU 46 13.325 -2.573 -3.785 348 HA LEU 46 HA LEU 46 13.765 0.224 -4.570 349 1HB LEU 46 1HB LEU 46 11.971 -0.897 -2.423 350 2HB LEU 46 2HB LEU 46 12.094 0.796 -2.894 351 HG LEU 46 HG LEU 46 11.270 -1.238 -4.922 352 1HD1 LEU 46 1HD1 LEU 46 9.949 -1.243 -2.593 353 2HD1 LEU 46 2HD1 LEU 46 9.163 -1.494 -4.151 354 3HD1 LEU 46 3HD1 LEU 46 9.127 0.097 -3.391 355 1HD2 LEU 46 1HD2 LEU 46 10.937 0.582 -6.145 356 2HD2 LEU 46 2HD2 LEU 46 11.557 1.567 -4.820 357 3HD2 LEU 46 3HD2 LEU 46 9.830 1.227 -4.933 358 H ASP 47 H ASP 47 15.797 -1.609 -3.444 359 HA ASP 47 HA ASP 47 17.268 -1.785 -1.669 360 1HB ASP 47 1HB ASP 47 17.135 1.172 -2.273 361 2HB ASP 47 2HB ASP 47 18.372 0.445 -1.252 362 H TRP 48 H TRP 48 14.628 -1.850 -0.695 363 HA TRP 48 HA TRP 48 14.773 -0.210 1.741 364 1HB TRP 48 1HB TRP 48 12.518 -1.353 0.160 365 2HB TRP 48 2HB TRP 48 12.301 -1.177 1.899 366 HD1 TRP 48 HD TRP 48 14.406 1.482 0.247 367 HE1 TRP 48 1HE TRP 48 13.079 3.685 0.151 368 HE3 TRP 48 3HE TRP 48 9.815 -0.274 1.650 369 HZ2 TRP 48 2HZ TRP 48 10.436 4.563 0.611 370 HZ3 TRP 48 3HZ TRP 48 7.940 1.312 1.798 371 HH2 TRP 48 HH TRP 48 8.246 3.680 1.289 372 H SER 49 H SER 49 13.373 -1.500 3.553 373 HA SER 49 HA SER 49 14.805 -4.049 3.891 374 1HB SER 49 1HB SER 49 13.975 -1.902 5.798 375 2HB SER 49 2HB SER 49 14.070 -3.561 6.389 376 HG SER 49 HG SER 49 16.258 -3.377 5.172 377 H VAL 50 H VAL 50 13.703 -5.817 4.883 378 HA VAL 50 HA VAL 50 11.198 -6.389 3.836 379 HB VAL 50 HB VAL 50 12.662 -8.160 4.586 380 1HG1 VAL 50 1HG1 VAL 50 12.538 -8.470 7.244 381 2HG1 VAL 50 2HG1 VAL 50 13.837 -7.589 6.437 382 3HG1 VAL 50 3HG1 VAL 50 12.487 -6.710 7.156 383 1HG2 VAL 50 1HG2 VAL 50 11.061 -9.571 5.711 384 2HG2 VAL 50 2HG2 VAL 50 10.152 -8.163 6.259 385 3HG2 VAL 50 3HG2 VAL 50 10.218 -8.556 4.541 386 H ARG 51 H ARG 51 12.074 -4.846 6.850 387 HA ARG 51 HA ARG 51 9.390 -4.975 7.916 388 1HB ARG 51 1HB ARG 51 11.965 -3.734 8.847 389 2HB ARG 51 2HB ARG 51 10.442 -3.369 9.647 390 1HG ARG 51 1HG ARG 51 11.210 -6.216 9.235 391 2HG ARG 51 2HG ARG 51 11.988 -5.286 10.518 392 1HD ARG 51 1HD ARG 51 10.028 -5.022 11.698 393 2HD ARG 51 2HD ARG 51 9.017 -5.219 10.267 394 HE ARG 51 HE ARG 51 10.023 -7.300 11.988 395 1HH1 ARG 51 2HH1 ARG 51 8.765 -6.520 8.837 396 2HH1 ARG 51 1HH1 ARG 51 8.218 -8.131 8.513 397 1HH2 ARG 51 2HH2 ARG 51 9.308 -9.426 11.573 398 2HH2 ARG 51 1HH2 ARG 51 8.527 -9.783 10.070 399 H LYS 52 H LYS 52 11.564 -2.422 6.725 400 HA LYS 52 HA LYS 52 9.903 -0.236 7.016 401 1HB LYS 52 1HB LYS 52 12.337 -0.347 6.195 402 2HB LYS 52 2HB LYS 52 11.655 -0.605 4.594 403 1HG LYS 52 1HG LYS 52 10.427 1.528 4.816 404 2HG LYS 52 2HG LYS 52 11.229 1.792 6.366 405 1HD LYS 52 1HD LYS 52 13.321 2.066 5.373 406 2HD LYS 52 2HD LYS 52 12.821 1.270 3.879 407 1HE LYS 52 1HE LYS 52 11.283 3.188 3.461 408 2HE LYS 52 2HE LYS 52 11.977 3.991 4.868 409 1HZ LYS 52 1HZ LYS 52 14.184 3.420 3.532 410 2HZ LYS 52 2HZ LYS 52 13.322 4.855 3.296 411 3HZ LYS 52 3HZ LYS 52 13.119 3.561 2.226 412 H ILE 53 H ILE 53 10.087 -2.496 4.284 413 HA ILE 53 HA ILE 53 8.164 -1.226 2.671 414 HB ILE 53 HB ILE 53 8.881 -4.159 2.757 415 1HG1 ILE 53 1HG1 ILE 53 9.919 -2.094 0.825 416 2HG1 ILE 53 2HG1 ILE 53 10.735 -2.424 2.349 417 1HG2 ILE 53 1HG2 ILE 53 7.771 -2.665 0.405 418 2HG2 ILE 53 2HG2 ILE 53 7.862 -4.406 0.668 419 3HG2 ILE 53 3HG2 ILE 53 6.720 -3.433 1.594 420 1HD1 ILE 53 1HD1 ILE 53 10.326 -4.922 1.197 421 2HD1 ILE 53 2HD1 ILE 53 10.823 -3.872 -0.131 422 3HD1 ILE 53 3HD1 ILE 53 11.841 -4.026 1.301 423 H GLN 54 H GLN 54 7.857 -3.952 4.939 424 HA GLN 54 HA GLN 54 5.255 -4.656 4.649 425 1HB GLN 54 1HB GLN 54 6.977 -4.420 7.090 426 2HB GLN 54 2HB GLN 54 5.293 -4.901 7.251 427 1HG GLN 54 1HG GLN 54 6.989 -6.330 5.275 428 2HG GLN 54 2HG GLN 54 7.216 -6.672 6.989 429 1HE2 GLN 54 1HE2 GLN 54 6.482 -8.768 5.699 430 2HE2 GLN 54 2HE2 GLN 54 4.801 -9.128 5.873 431 H CYS 55 H CYS 55 6.423 -1.941 6.628 432 HA CYS 55 HA CYS 55 4.005 -1.054 7.632 433 1HB CYS 55 1HB CYS 55 6.341 -0.199 8.171 434 2HB CYS 55 2HB CYS 55 6.209 0.797 6.727 435 HG CYS 55 HG CYS 55 3.515 1.314 8.469 436 H TRP 56 H TRP 56 5.514 -0.328 4.516 437 HA TRP 56 HA TRP 56 3.724 1.615 3.623 438 1HB TRP 56 1HB TRP 56 5.879 1.016 2.517 439 2HB TRP 56 2HB TRP 56 5.123 -0.461 1.924 440 HD1 TRP 56 HD TRP 56 5.470 3.206 1.166 441 HE1 TRP 56 1HE TRP 56 4.189 3.765 -0.996 442 HE3 TRP 56 3HE TRP 56 2.922 -1.186 0.574 443 HZ2 TRP 56 2HZ TRP 56 2.343 2.510 -2.723 444 HZ3 TRP 56 3HZ TRP 56 1.418 -1.426 -1.359 445 HH2 TRP 56 HH TRP 56 1.135 0.385 -2.972 446 H PHE 57 H PHE 57 3.650 -1.908 3.109 447 HA PHE 57 HA PHE 57 1.296 -2.008 1.614 448 1HB PHE 57 1HB PHE 57 2.817 -3.953 3.281 449 2HB PHE 57 2HB PHE 57 1.175 -4.384 2.814 450 HD1 PHE 57 1HD PHE 57 4.597 -4.045 1.741 451 HD2 PHE 57 2HD PHE 57 0.586 -4.522 0.398 452 HE1 PHE 57 1HE PHE 57 5.424 -4.786 -0.455 453 HE2 PHE 57 2HE PHE 57 1.406 -5.264 -1.799 454 HZ PHE 57 HZ PHE 57 3.828 -5.397 -2.228 455 H ARG 58 H ARG 58 1.787 -2.171 5.119 456 HA ARG 58 HA ARG 58 -0.853 -2.687 5.869 457 1HB ARG 58 1HB ARG 58 1.404 -2.527 7.248 458 2HB ARG 58 2HB ARG 58 0.829 -0.894 7.559 459 1HG ARG 58 1HG ARG 58 -0.092 -1.951 9.340 460 2HG ARG 58 2HG ARG 58 -1.395 -2.187 8.174 461 1HD ARG 58 1HD ARG 58 -0.546 -4.406 7.649 462 2HD ARG 58 2HD ARG 58 0.803 -4.168 8.759 463 HE ARG 58 HE ARG 58 -1.821 -3.910 9.944 464 1HH1 ARG 58 2HH1 ARG 58 0.842 -6.026 9.202 465 2HH1 ARG 58 1HH1 ARG 58 0.436 -7.181 10.428 466 1HH2 ARG 58 2HH2 ARG 58 -2.366 -5.423 11.561 467 2HH2 ARG 58 1HH2 ARG 58 -1.390 -6.838 11.769 468 H HIS 59 H HIS 59 0.785 0.346 5.138 469 HA HIS 59 HA HIS 59 -1.361 2.030 5.957 470 1HB HIS 59 1HB HIS 59 1.190 2.553 5.506 471 2HB HIS 59 2HB HIS 59 0.604 2.904 3.883 472 HD1 HIS 59 1HD HIS 59 0.143 5.303 3.587 473 HD2 HIS 59 2HD HIS 59 -0.615 4.068 7.481 474 HE1 HIS 59 1HE HIS 59 -0.629 7.362 4.807 475 HE2 HIS 59 2HE HIS 59 -0.999 6.608 7.182 476 H ARG 60 H ARG 60 -0.203 0.986 2.754 477 HA ARG 60 HA ARG 60 -1.849 2.211 1.036 478 1HB ARG 60 1HB ARG 60 -0.255 0.514 0.322 479 2HB ARG 60 2HB ARG 60 -1.241 -0.750 1.043 480 1HG ARG 60 1HG ARG 60 -1.812 -0.923 -1.171 481 2HG ARG 60 2HG ARG 60 -3.080 0.146 -0.566 482 1HD ARG 60 1HD ARG 60 -1.393 2.029 -1.244 483 2HD ARG 60 2HD ARG 60 -0.722 0.773 -2.284 484 HE ARG 60 HE ARG 60 -2.542 0.988 -3.651 485 1HH1 ARG 60 2HH1 ARG 60 -3.251 2.464 -0.578 486 2HH1 ARG 60 1HH1 ARG 60 -4.757 3.140 -1.103 487 1HH2 ARG 60 2HH2 ARG 60 -4.523 1.873 -4.354 488 2HH2 ARG 60 1HH2 ARG 60 -5.480 2.802 -3.251 489 H ARG 61 H ARG 61 -2.789 -0.699 2.863 490 HA ARG 61 HA ARG 61 -5.332 -1.090 1.963 491 1HB ARG 61 1HB ARG 61 -4.159 -1.377 4.717 492 2HB ARG 61 2HB ARG 61 -5.839 -1.789 4.397 493 1HG ARG 61 1HG ARG 61 -4.747 -3.203 2.450 494 2HG ARG 61 2HG ARG 61 -3.350 -3.145 3.526 495 1HD ARG 61 1HD ARG 61 -4.822 -5.132 3.856 496 2HD ARG 61 2HD ARG 61 -4.588 -4.151 5.303 497 HE ARG 61 HE ARG 61 -6.826 -3.659 5.291 498 1HH1 ARG 61 2HH1 ARG 61 -5.932 -5.013 2.211 499 2HH1 ARG 61 1HH1 ARG 61 -7.565 -5.147 1.649 500 1HH2 ARG 61 2HH2 ARG 61 -8.981 -3.830 4.562 501 2HH2 ARG 61 1HH2 ARG 61 -9.298 -4.473 2.987 502 H ASN 62 H ASN 62 -4.541 0.923 4.805 503 HA ASN 62 HA ASN 62 -6.923 1.959 5.475 504 1HB ASN 62 1HB ASN 62 -4.200 3.175 5.363 505 2HB ASN 62 2HB ASN 62 -5.564 4.229 5.723 506 1HD2 ASN 62 1HD2 ASN 62 -4.108 1.153 6.689 507 2HD2 ASN 62 2HD2 ASN 62 -4.499 1.295 8.366 508 H GLN 63 H GLN 63 -4.890 3.317 2.881 509 HA GLN 63 HA GLN 63 -6.622 5.317 2.038 510 1HB GLN 63 1HB GLN 63 -4.411 3.785 0.766 511 2HB GLN 63 2HB GLN 63 -5.457 4.729 -0.287 512 1HG GLN 63 1HG GLN 63 -3.505 6.007 0.335 513 2HG GLN 63 2HG GLN 63 -4.959 6.734 1.017 514 1HE2 GLN 63 1HE2 GLN 63 -1.856 6.018 1.662 515 2HE2 GLN 63 2HE2 GLN 63 -1.923 5.884 3.383 516 H ASP 64 H ASP 64 -6.353 1.975 0.852 517 HA ASP 64 HA ASP 64 -8.363 2.115 -1.085 518 1HB ASP 64 1HB ASP 64 -6.650 0.246 -0.659 519 2HB ASP 64 2HB ASP 64 -7.797 -0.363 0.532 520 H LYS 65 H LYS 65 -8.544 1.157 2.329 521 HA LYS 65 HA LYS 65 -11.352 0.660 2.271 522 1HB LYS 65 1HB LYS 65 -9.834 -0.382 3.919 523 2HB LYS 65 2HB LYS 65 -9.547 1.198 4.636 524 1HG LYS 65 1HG LYS 65 -12.021 1.322 5.081 525 2HG LYS 65 2HG LYS 65 -12.106 -0.377 4.608 526 1HD LYS 65 1HD LYS 65 -10.474 -0.926 6.368 527 2HD LYS 65 2HD LYS 65 -10.447 0.771 6.855 528 1HE LYS 65 1HE LYS 65 -12.542 0.678 7.780 529 2HE LYS 65 2HE LYS 65 -13.074 -0.621 6.713 530 1HZ LYS 65 1HZ LYS 65 -12.792 -1.867 8.539 531 2HZ LYS 65 2HZ LYS 65 -11.745 -0.765 9.280 532 3HZ LYS 65 3HZ LYS 65 -11.154 -1.841 8.116 533 HA PRO 66 HA PRO 66 -12.862 4.790 2.574 534 1HB PRO 66 1HB PRO 66 -15.328 4.246 3.571 535 2HB PRO 66 2HB PRO 66 -14.882 3.936 1.889 536 1HG PRO 66 1HG PRO 66 -15.009 2.033 4.196 537 2HG PRO 66 2HG PRO 66 -15.562 1.806 2.527 538 1HD PRO 66 1HD PRO 66 -13.218 0.798 3.434 539 2HD PRO 66 2HD PRO 66 -13.442 1.331 1.756 540 H SER 67 H SER 67 -12.091 6.129 4.083 541 HA SER 67 HA SER 67 -12.188 5.409 6.896 542 1HB SER 67 1HB SER 67 -10.151 6.439 5.842 543 2HB SER 67 2HB SER 67 -11.073 7.929 5.645 544 HG SER 67 HG SER 67 -11.393 7.848 7.968 545 H GLY 68 H GLY 68 -13.956 5.839 8.033 546 1HA GLY 68 1HA GLY 68 -15.032 8.077 8.862 547 2HA GLY 68 2HA GLY 68 -15.675 8.072 7.227 548 HA PRO 69 HA PRO 69 -18.094 5.290 10.334 549 1HB PRO 69 1HB PRO 69 -19.835 7.074 11.410 550 2HB PRO 69 2HB PRO 69 -18.278 6.683 12.152 551 1HG PRO 69 1HG PRO 69 -19.029 9.026 10.446 552 2HG PRO 69 2HG PRO 69 -18.053 8.987 11.926 553 1HD PRO 69 1HD PRO 69 -16.950 9.127 9.457 554 2HD PRO 69 2HD PRO 69 -16.160 8.291 10.810 555 H SER 70 H SER 70 -20.112 4.462 9.819 556 HA SER 70 HA SER 70 -21.275 5.501 7.355 557 1HB SER 70 1HB SER 70 -20.682 3.026 7.775 558 2HB SER 70 2HB SER 70 -22.136 2.985 8.771 559 HG SER 70 HG SER 70 -22.374 4.088 6.228 560 H SER 71 H SER 71 -21.750 7.131 9.540 561 HA SER 71 HA SER 71 -24.092 6.664 10.973 562 1HB SER 71 1HB SER 71 -24.217 9.166 11.166 563 2HB SER 71 2HB SER 71 -22.645 8.489 11.590 564 HG SER 71 HG SER 71 -23.388 10.046 9.400 565 H GLY 72 H GLY 72 -26.240 6.990 10.595 566 1HA GLY 72 1HA GLY 72 -27.297 8.446 8.415 567 2HA GLY 72 2HA GLY 72 -27.231 6.740 7.999 Start of MODEL 19 1 1H GLY 1 H GLY 1 12.454 -7.424 28.304 2 1HA GLY 1 1HA GLY 1 14.088 -5.317 28.397 3 2HA GLY 1 2HA GLY 1 13.941 -5.539 26.660 4 H SER 2 H SER 2 13.155 -3.177 27.695 5 HA SER 2 HA SER 2 10.375 -3.141 28.378 6 1HB SER 2 1HB SER 2 12.257 -1.387 28.898 7 2HB SER 2 2HB SER 2 11.817 -0.733 27.321 8 HG SER 2 HG SER 2 10.548 0.285 28.821 9 H SER 3 H SER 3 8.811 -1.792 27.079 10 HA SER 3 HA SER 3 9.145 -1.456 24.294 11 1HB SER 3 1HB SER 3 7.540 -3.250 23.562 12 2HB SER 3 2HB SER 3 9.092 -3.857 24.139 13 HG SER 3 HG SER 3 8.120 -4.798 25.756 14 H GLY 4 H GLY 4 6.830 -1.281 23.223 15 1HA GLY 4 1HA GLY 4 4.659 -0.590 24.938 16 2HA GLY 4 2HA GLY 4 5.508 0.846 24.385 17 H SER 5 H SER 5 2.836 0.379 23.779 18 HA SER 5 HA SER 5 2.984 0.324 20.874 19 1HB SER 5 1HB SER 5 2.441 -2.029 21.761 20 2HB SER 5 2HB SER 5 0.883 -1.354 22.237 21 HG SER 5 HG SER 5 1.858 -1.037 19.612 22 H SER 6 H SER 6 0.997 1.128 19.858 23 HA SER 6 HA SER 6 -0.979 2.418 21.502 24 1HB SER 6 1HB SER 6 1.251 3.969 20.259 25 2HB SER 6 2HB SER 6 -0.361 4.684 20.270 26 HG SER 6 HG SER 6 0.513 5.311 22.161 27 H GLY 7 H GLY 7 -2.477 3.790 20.072 28 1HA GLY 7 1HA GLY 7 -2.509 2.930 17.281 29 2HA GLY 7 2HA GLY 7 -3.857 2.415 18.283 30 H GLY 8 H GLY 8 -4.293 3.945 16.040 31 1HA GLY 8 1HA GLY 8 -6.006 5.905 16.838 32 2HA GLY 8 2HA GLY 8 -4.460 6.735 16.734 33 H ILE 9 H ILE 9 -5.836 7.955 15.117 34 HA ILE 9 HA ILE 9 -5.550 6.682 12.474 35 HB ILE 9 HB ILE 9 -7.462 8.163 11.741 36 1HG1 ILE 9 1HG1 ILE 9 -7.806 8.425 14.735 37 2HG1 ILE 9 2HG1 ILE 9 -7.468 9.729 13.602 38 1HG2 ILE 9 1HG2 ILE 9 -8.850 6.487 13.613 39 2HG2 ILE 9 2HG2 ILE 9 -8.661 6.300 11.870 40 3HG2 ILE 9 3HG2 ILE 9 -7.444 5.643 12.965 41 1HD1 ILE 9 1HD1 ILE 9 -9.670 9.135 12.498 42 2HD1 ILE 9 2HD1 ILE 9 -9.994 8.151 13.926 43 3HD1 ILE 9 3HD1 ILE 9 -9.750 9.890 14.089 44 H LYS 10 H LYS 10 -5.037 8.081 10.719 45 HA LYS 10 HA LYS 10 -3.911 10.680 11.526 46 1HB LYS 10 1HB LYS 10 -2.098 10.302 9.871 47 2HB LYS 10 2HB LYS 10 -2.069 9.152 11.202 48 1HG LYS 10 1HG LYS 10 -3.487 8.434 8.681 49 2HG LYS 10 2HG LYS 10 -1.726 8.346 8.749 50 1HD LYS 10 1HD LYS 10 -2.215 7.039 10.984 51 2HD LYS 10 2HD LYS 10 -3.771 6.742 10.206 52 1HE LYS 10 1HE LYS 10 -2.726 5.680 8.349 53 2HE LYS 10 2HE LYS 10 -1.125 6.191 8.880 54 1HZ LYS 10 1HZ LYS 10 -2.831 4.046 9.924 55 2HZ LYS 10 2HZ LYS 10 -1.770 4.824 10.987 56 3HZ LYS 10 3HZ LYS 10 -1.167 4.043 9.613 57 H ASP 11 H ASP 11 -3.358 11.978 9.413 58 HA ASP 11 HA ASP 11 -5.843 12.069 7.876 59 1HB ASP 11 1HB ASP 11 -4.788 14.104 9.055 60 2HB ASP 11 2HB ASP 11 -3.621 14.095 7.735 61 H SER 12 H SER 12 -5.913 12.031 5.635 62 HA SER 12 HA SER 12 -3.790 10.529 4.383 63 1HB SER 12 1HB SER 12 -5.280 10.288 2.519 64 2HB SER 12 2HB SER 12 -6.247 10.108 3.982 65 HG SER 12 HG SER 12 -6.615 12.487 3.675 66 HA PRO 13 HA PRO 13 -1.737 14.218 2.949 67 1HB PRO 13 1HB PRO 13 0.243 12.922 1.618 68 2HB PRO 13 2HB PRO 13 0.228 13.105 3.376 69 1HG PRO 13 1HG PRO 13 -0.589 10.756 1.709 70 2HG PRO 13 2HG PRO 13 0.354 10.789 3.211 71 1HD PRO 13 1HD PRO 13 -2.279 10.161 3.157 72 2HD PRO 13 2HD PRO 13 -1.523 10.990 4.533 73 H VAL 14 H VAL 14 -1.942 15.409 1.137 74 HA VAL 14 HA VAL 14 -3.552 14.522 -1.000 75 HB VAL 14 HB VAL 14 -2.904 16.646 -2.116 76 1HG1 VAL 14 1HG1 VAL 14 -3.495 17.263 0.752 77 2HG1 VAL 14 2HG1 VAL 14 -4.166 17.990 -0.710 78 3HG1 VAL 14 3HG1 VAL 14 -4.655 16.365 -0.227 79 1HG2 VAL 14 1HG2 VAL 14 -1.413 18.195 -1.076 80 2HG2 VAL 14 2HG2 VAL 14 -1.225 17.153 0.335 81 3HG2 VAL 14 3HG2 VAL 14 -0.566 16.656 -1.224 82 H ASN 15 H ASN 15 -0.115 14.502 -0.483 83 HA ASN 15 HA ASN 15 0.470 13.941 -3.273 84 1HB ASN 15 1HB ASN 15 2.271 14.077 -0.845 85 2HB ASN 15 2HB ASN 15 2.828 13.828 -2.497 86 1HD2 ASN 15 1HD2 ASN 15 2.418 16.070 -0.152 87 2HD2 ASN 15 2HD2 ASN 15 2.341 17.499 -1.120 88 H LYS 16 H LYS 16 2.357 12.096 -3.335 89 HA LYS 16 HA LYS 16 0.915 9.660 -2.762 90 1HB LYS 16 1HB LYS 16 3.451 10.320 -4.229 91 2HB LYS 16 2HB LYS 16 3.062 8.653 -3.827 92 1HG LYS 16 1HG LYS 16 1.349 10.511 -5.466 93 2HG LYS 16 2HG LYS 16 2.373 9.218 -6.095 94 1HD LYS 16 1HD LYS 16 1.003 7.692 -4.514 95 2HD LYS 16 2HD LYS 16 -0.157 9.023 -4.501 96 1HE LYS 16 1HE LYS 16 0.891 7.723 -7.009 97 2HE LYS 16 2HE LYS 16 -0.609 7.253 -6.212 98 1HZ LYS 16 1HZ LYS 16 -0.018 9.972 -7.251 99 2HZ LYS 16 2HZ LYS 16 -1.476 9.458 -6.564 100 3HZ LYS 16 3HZ LYS 16 -0.966 8.817 -8.044 101 H VAL 17 H VAL 17 1.292 8.251 -1.159 102 HA VAL 17 HA VAL 17 2.552 8.851 1.173 103 HB VAL 17 HB VAL 17 2.707 6.410 1.626 104 1HG1 VAL 17 1HG1 VAL 17 0.176 6.005 1.027 105 2HG1 VAL 17 2HG1 VAL 17 0.645 7.199 2.240 106 3HG1 VAL 17 3HG1 VAL 17 0.235 7.716 0.604 107 1HG2 VAL 17 1HG2 VAL 17 3.336 5.620 -0.569 108 2HG2 VAL 17 2HG2 VAL 17 1.824 4.853 -0.080 109 3HG2 VAL 17 3HG2 VAL 17 1.805 6.179 -1.243 110 H GLU 18 H GLU 18 3.989 7.098 -1.564 111 HA GLU 18 HA GLU 18 6.569 8.162 -1.115 112 1HB GLU 18 1HB GLU 18 5.922 5.545 0.130 113 2HB GLU 18 2HB GLU 18 7.471 5.673 -0.692 114 1HG GLU 18 1HG GLU 18 7.603 7.903 0.746 115 2HG GLU 18 2HG GLU 18 6.520 6.980 1.785 116 HA PRO 19 HA PRO 19 7.196 6.770 -5.226 117 1HB PRO 19 1HB PRO 19 9.848 6.191 -5.273 118 2HB PRO 19 2HB PRO 19 9.227 7.844 -5.190 119 1HG PRO 19 1HG PRO 19 10.260 6.096 -2.990 120 2HG PRO 19 2HG PRO 19 10.564 7.818 -3.288 121 1HD PRO 19 1HD PRO 19 8.776 6.951 -1.449 122 2HD PRO 19 2HD PRO 19 8.558 8.462 -2.354 123 H ASN 20 H ASN 20 7.148 4.654 -2.736 124 HA ASN 20 HA ASN 20 8.217 2.330 -4.076 125 1HB ASN 20 1HB ASN 20 6.955 2.875 -1.424 126 2HB ASN 20 2HB ASN 20 6.964 1.219 -2.024 127 1HD2 ASN 20 1HD2 ASN 20 9.248 3.940 -1.969 128 2HD2 ASN 20 2HD2 ASN 20 10.577 3.029 -1.345 129 H ASP 21 H ASP 21 5.857 3.945 -5.122 130 HA ASP 21 HA ASP 21 3.431 2.754 -4.970 131 1HB ASP 21 1HB ASP 21 3.000 3.469 -7.248 132 2HB ASP 21 2HB ASP 21 3.976 4.686 -6.430 133 H THR 22 H THR 22 6.228 1.543 -6.746 134 HA THR 22 HA THR 22 5.331 -0.422 -8.316 135 HB THR 22 HB THR 22 7.604 -0.571 -6.343 136 HG1 THR 22 1HG THR 22 7.450 0.787 -8.429 137 1HG2 THR 22 1HG2 THR 22 6.956 -2.554 -8.529 138 2HG2 THR 22 2HG2 THR 22 6.824 -2.858 -6.797 139 3HG2 THR 22 3HG2 THR 22 8.402 -2.553 -7.520 140 H LEU 23 H LEU 23 5.110 -0.409 -4.830 141 HA LEU 23 HA LEU 23 4.384 -3.150 -4.542 142 1HB LEU 23 1HB LEU 23 4.221 -0.734 -2.782 143 2HB LEU 23 2HB LEU 23 3.464 -2.250 -2.298 144 HG LEU 23 HG LEU 23 5.528 -3.343 -2.089 145 1HD1 LEU 23 1HD1 LEU 23 6.859 -1.002 -3.441 146 2HD1 LEU 23 2HD1 LEU 23 6.476 -2.535 -4.222 147 3HD1 LEU 23 3HD1 LEU 23 7.632 -2.488 -2.891 148 1HD2 LEU 23 1HD2 LEU 23 6.819 -1.041 -1.058 149 2HD2 LEU 23 2HD2 LEU 23 5.938 -2.292 -0.181 150 3HD2 LEU 23 3HD2 LEU 23 5.087 -0.864 -0.772 151 H GLU 24 H GLU 24 2.506 -0.124 -4.503 152 HA GLU 24 HA GLU 24 -0.005 -0.889 -4.023 153 1HB GLU 24 1HB GLU 24 0.293 1.357 -4.640 154 2HB GLU 24 2HB GLU 24 1.024 0.931 -6.181 155 1HG GLU 24 1HG GLU 24 -1.264 1.854 -6.370 156 2HG GLU 24 2HG GLU 24 -1.081 0.248 -7.073 157 H LYS 25 H LYS 25 1.713 -1.540 -7.042 158 HA LYS 25 HA LYS 25 -0.448 -2.711 -8.424 159 1HB LYS 25 1HB LYS 25 2.540 -2.995 -8.716 160 2HB LYS 25 2HB LYS 25 1.404 -3.801 -9.790 161 1HG LYS 25 1HG LYS 25 0.452 -1.552 -10.330 162 2HG LYS 25 2HG LYS 25 1.781 -0.841 -9.412 163 1HD LYS 25 1HD LYS 25 2.264 -2.776 -11.660 164 2HD LYS 25 2HD LYS 25 2.064 -1.046 -11.948 165 1HE LYS 25 1HE LYS 25 4.007 -0.505 -10.790 166 2HE LYS 25 2HE LYS 25 4.028 -2.036 -9.916 167 1HZ LYS 25 1HZ LYS 25 4.197 -2.592 -12.650 168 2HZ LYS 25 2HZ LYS 25 5.370 -2.847 -11.458 169 3HZ LYS 25 3HZ LYS 25 5.332 -1.384 -12.307 170 H VAL 26 H VAL 26 2.403 -4.419 -7.128 171 HA VAL 26 HA VAL 26 1.506 -6.986 -7.278 172 HB VAL 26 HB VAL 26 3.724 -5.905 -6.249 173 1HG1 VAL 26 1HG1 VAL 26 2.345 -6.967 -3.794 174 2HG1 VAL 26 2HG1 VAL 26 3.910 -6.159 -3.903 175 3HG1 VAL 26 3HG1 VAL 26 2.425 -5.249 -4.183 176 1HG2 VAL 26 1HG2 VAL 26 3.089 -8.580 -5.149 177 2HG2 VAL 26 2HG2 VAL 26 2.944 -8.376 -6.895 178 3HG2 VAL 26 3HG2 VAL 26 4.479 -8.042 -6.092 179 H PHE 27 H PHE 27 0.666 -4.587 -4.849 180 HA PHE 27 HA PHE 27 -0.536 -6.172 -2.931 181 1HB PHE 27 1HB PHE 27 -0.352 -3.921 -2.354 182 2HB PHE 27 2HB PHE 27 -1.042 -3.372 -3.878 183 HD1 PHE 27 1HD PHE 27 -1.762 -4.631 -0.526 184 HD2 PHE 27 2HD PHE 27 -3.435 -3.298 -4.206 185 HE1 PHE 27 1HE PHE 27 -3.960 -4.407 0.558 186 HE2 PHE 27 2HE PHE 27 -5.635 -3.071 -3.128 187 HZ PHE 27 HZ PHE 27 -5.899 -3.625 -0.743 188 H VAL 28 H VAL 28 -1.988 -4.796 -5.866 189 HA VAL 28 HA VAL 28 -4.338 -6.515 -5.448 190 HB VAL 28 HB VAL 28 -4.934 -4.191 -5.683 191 1HG1 VAL 28 1HG1 VAL 28 -3.168 -3.149 -6.772 192 2HG1 VAL 28 2HG1 VAL 28 -3.165 -4.315 -8.097 193 3HG1 VAL 28 3HG1 VAL 28 -4.451 -3.113 -7.981 194 1HG2 VAL 28 1HG2 VAL 28 -6.668 -4.505 -7.123 195 2HG2 VAL 28 2HG2 VAL 28 -5.642 -5.181 -8.388 196 3HG2 VAL 28 3HG2 VAL 28 -6.112 -6.175 -7.010 197 H SER 29 H SER 29 -1.499 -6.793 -6.878 198 HA SER 29 HA SER 29 -2.506 -7.885 -9.411 199 1HB SER 29 1HB SER 29 -0.462 -6.236 -9.158 200 2HB SER 29 2HB SER 29 0.413 -7.716 -8.769 201 HG SER 29 HG SER 29 -1.125 -7.273 -11.115 202 H VAL 30 H VAL 30 -0.400 -8.733 -6.676 203 HA VAL 30 HA VAL 30 -0.740 -11.572 -7.382 204 HB VAL 30 HB VAL 30 1.304 -12.077 -6.366 205 1HG1 VAL 30 1HG1 VAL 30 1.492 -9.429 -7.776 206 2HG1 VAL 30 2HG1 VAL 30 2.917 -10.342 -7.277 207 3HG1 VAL 30 3HG1 VAL 30 1.779 -11.041 -8.430 208 1HG2 VAL 30 1HG2 VAL 30 0.984 -10.906 -4.274 209 2HG2 VAL 30 2HG2 VAL 30 2.559 -10.490 -4.950 210 3HG2 VAL 30 3HG2 VAL 30 1.218 -9.352 -5.075 211 H THR 31 H THR 31 -0.616 -9.345 -4.615 212 HA THR 31 HA THR 31 -2.828 -10.496 -3.314 213 HB THR 31 HB THR 31 -1.302 -12.384 -2.918 214 HG1 THR 31 1HG THR 31 -2.663 -12.261 -1.247 215 1HG2 THR 31 1HG2 THR 31 0.578 -10.307 -2.412 216 2HG2 THR 31 2HG2 THR 31 0.853 -12.049 -2.466 217 3HG2 THR 31 3HG2 THR 31 0.413 -11.271 -0.946 218 H LYS 32 H LYS 32 -3.404 -9.389 -1.415 219 HA LYS 32 HA LYS 32 -2.352 -6.740 -1.226 220 1HB LYS 32 1HB LYS 32 -4.442 -8.263 0.316 221 2HB LYS 32 2HB LYS 32 -3.965 -6.632 0.770 222 1HG LYS 32 1HG LYS 32 -4.491 -6.066 -1.708 223 2HG LYS 32 2HG LYS 32 -5.412 -7.572 -1.666 224 1HD LYS 32 1HD LYS 32 -5.769 -5.321 0.308 225 2HD LYS 32 2HD LYS 32 -6.746 -5.519 -1.148 226 1HE LYS 32 1HE LYS 32 -8.058 -6.563 0.432 227 2HE LYS 32 2HE LYS 32 -7.140 -7.922 -0.214 228 1HZ LYS 32 1HZ LYS 32 -5.753 -7.954 1.656 229 2HZ LYS 32 2HZ LYS 32 -7.310 -7.752 2.285 230 3HZ LYS 32 3HZ LYS 32 -6.260 -6.429 2.185 231 H TYR 33 H TYR 33 -2.113 -9.666 0.723 232 HA TYR 33 HA TYR 33 -0.181 -8.283 2.465 233 1HB TYR 33 1HB TYR 33 -2.210 -10.404 2.993 234 2HB TYR 33 2HB TYR 33 -0.720 -10.432 3.929 235 HD1 TYR 33 1HD TYR 33 -0.311 -8.827 5.648 236 HD2 TYR 33 2HD TYR 33 -3.734 -8.453 3.148 237 HE1 TYR 33 1HE TYR 33 -1.229 -7.125 7.169 238 HE2 TYR 33 2HE TYR 33 -4.660 -6.750 4.661 239 HH TYR 33 HH TYR 33 -3.359 -6.146 7.765 240 HA PRO 34 HA PRO 34 2.430 -11.146 0.039 241 1HB PRO 34 1HB PRO 34 4.657 -9.607 0.242 242 2HB PRO 34 2HB PRO 34 3.408 -9.333 -0.978 243 1HG PRO 34 1HG PRO 34 3.843 -7.937 1.634 244 2HG PRO 34 2HG PRO 34 3.433 -7.249 0.051 245 1HD PRO 34 1HD PRO 34 1.585 -7.643 1.991 246 2HD PRO 34 2HD PRO 34 1.198 -7.769 0.263 247 H ASP 35 H ASP 35 4.500 -12.200 0.620 248 HA ASP 35 HA ASP 35 4.846 -12.347 3.544 249 1HB ASP 35 1HB ASP 35 3.852 -14.363 2.141 250 2HB ASP 35 2HB ASP 35 5.553 -14.665 1.799 251 H GLU 36 H GLU 36 7.011 -13.105 4.237 252 HA GLU 36 HA GLU 36 9.049 -11.484 3.501 253 1HB GLU 36 1HB GLU 36 9.022 -13.109 5.427 254 2HB GLU 36 2HB GLU 36 9.485 -14.366 4.288 255 1HG GLU 36 1HG GLU 36 11.454 -12.791 3.720 256 2HG GLU 36 2HG GLU 36 11.063 -12.024 5.258 257 H LYS 37 H LYS 37 8.270 -14.612 2.043 258 HA LYS 37 HA LYS 37 10.418 -14.997 0.383 259 1HB LYS 37 1HB LYS 37 7.519 -15.660 0.182 260 2HB LYS 37 2HB LYS 37 8.513 -15.881 -1.251 261 1HG LYS 37 1HG LYS 37 9.307 -17.046 1.392 262 2HG LYS 37 2HG LYS 37 8.186 -17.877 0.311 263 1HD LYS 37 1HD LYS 37 10.890 -16.911 -0.588 264 2HD LYS 37 2HD LYS 37 10.638 -18.510 0.114 265 1HE LYS 37 1HE LYS 37 9.032 -19.037 -1.644 266 2HE LYS 37 2HE LYS 37 9.242 -17.428 -2.332 267 1HZ LYS 37 1HZ LYS 37 11.200 -19.643 -2.239 268 2HZ LYS 37 2HZ LYS 37 11.669 -18.049 -2.551 269 3HZ LYS 37 3HZ LYS 37 10.596 -18.834 -3.597 270 H ARG 38 H ARG 38 7.561 -12.986 -0.247 271 HA ARG 38 HA ARG 38 8.568 -12.103 -2.796 272 1HB ARG 38 1HB ARG 38 6.136 -12.339 -2.300 273 2HB ARG 38 2HB ARG 38 6.272 -10.995 -1.173 274 1HG ARG 38 1HG ARG 38 6.852 -9.491 -2.958 275 2HG ARG 38 2HG ARG 38 6.893 -10.825 -4.113 276 1HD ARG 38 1HD ARG 38 4.460 -9.935 -2.568 277 2HD ARG 38 2HD ARG 38 4.810 -9.505 -4.241 278 HE ARG 38 HE ARG 38 4.230 -11.646 -4.896 279 1HH1 ARG 38 2HH1 ARG 38 4.326 -11.419 -1.423 280 2HH1 ARG 38 1HH1 ARG 38 3.539 -12.942 -1.172 281 1HH2 ARG 38 2HH2 ARG 38 3.193 -13.652 -4.578 282 2HH2 ARG 38 1HH2 ARG 38 2.896 -14.212 -2.967 283 H LEU 39 H LEU 39 8.195 -10.698 0.437 284 HA LEU 39 HA LEU 39 8.995 -8.103 -0.071 285 1HB LEU 39 1HB LEU 39 9.155 -9.899 2.294 286 2HB LEU 39 2HB LEU 39 10.036 -8.374 2.344 287 HG LEU 39 HG LEU 39 7.871 -8.174 3.434 288 1HD1 LEU 39 1HD1 LEU 39 8.952 -6.408 1.727 289 2HD1 LEU 39 2HD1 LEU 39 7.476 -6.100 2.640 290 3HD1 LEU 39 3HD1 LEU 39 7.379 -6.639 0.964 291 1HD2 LEU 39 1HD2 LEU 39 6.627 -8.764 0.755 292 2HD2 LEU 39 2HD2 LEU 39 5.802 -8.480 2.289 293 3HD2 LEU 39 3HD2 LEU 39 6.758 -9.945 2.059 294 H LYS 40 H LYS 40 10.947 -10.996 0.315 295 HA LYS 40 HA LYS 40 13.466 -9.904 0.649 296 1HB LYS 40 1HB LYS 40 12.576 -12.374 -0.836 297 2HB LYS 40 2HB LYS 40 14.271 -11.972 -0.597 298 1HG LYS 40 1HG LYS 40 12.489 -12.055 1.780 299 2HG LYS 40 2HG LYS 40 12.994 -13.578 1.045 300 1HD LYS 40 1HD LYS 40 15.343 -12.884 1.261 301 2HD LYS 40 2HD LYS 40 14.819 -11.384 2.030 302 1HE LYS 40 1HE LYS 40 13.641 -12.878 3.734 303 2HE LYS 40 2HE LYS 40 14.601 -14.197 3.064 304 1HZ LYS 40 1HZ LYS 40 15.570 -13.069 5.055 305 2HZ LYS 40 2HZ LYS 40 15.796 -11.691 4.101 306 3HZ LYS 40 3HZ LYS 40 16.593 -13.130 3.709 307 H GLY 41 H GLY 41 11.507 -10.138 -2.248 308 1HA GLY 41 1HA GLY 41 13.610 -9.441 -4.063 309 2HA GLY 41 2HA GLY 41 11.889 -9.453 -4.418 310 H LEU 42 H LEU 42 10.710 -7.614 -3.067 311 HA LEU 42 HA LEU 42 11.388 -5.192 -4.203 312 1HB LEU 42 1HB LEU 42 9.801 -5.864 -1.745 313 2HB LEU 42 2HB LEU 42 9.995 -4.202 -2.299 314 HG LEU 42 HG LEU 42 8.844 -6.352 -4.059 315 1HD1 LEU 42 1HD1 LEU 42 7.408 -4.548 -2.120 316 2HD1 LEU 42 2HD1 LEU 42 7.441 -6.311 -2.116 317 3HD1 LEU 42 3HD1 LEU 42 6.622 -5.447 -3.418 318 1HD2 LEU 42 1HD2 LEU 42 9.405 -4.538 -5.383 319 2HD2 LEU 42 2HD2 LEU 42 9.025 -3.366 -4.120 320 3HD2 LEU 42 3HD2 LEU 42 7.724 -4.200 -4.971 321 H SER 43 H SER 43 12.304 -6.486 -1.045 322 HA SER 43 HA SER 43 13.400 -4.384 0.245 323 1HB SER 43 1HB SER 43 13.491 -6.593 1.211 324 2HB SER 43 2HB SER 43 14.587 -7.151 -0.054 325 HG SER 43 HG SER 43 15.326 -4.962 1.536 326 H LYS 44 H LYS 44 14.931 -6.168 -2.406 327 HA LYS 44 HA LYS 44 17.231 -4.409 -2.406 328 1HB LYS 44 1HB LYS 44 17.490 -6.805 -2.913 329 2HB LYS 44 2HB LYS 44 16.452 -6.617 -4.320 330 1HG LYS 44 1HG LYS 44 18.051 -5.319 -5.457 331 2HG LYS 44 2HG LYS 44 19.003 -5.069 -3.992 332 1HD LYS 44 1HD LYS 44 18.561 -7.862 -4.908 333 2HD LYS 44 2HD LYS 44 19.689 -6.860 -5.824 334 1HE LYS 44 1HE LYS 44 21.118 -7.752 -4.280 335 2HE LYS 44 2HE LYS 44 20.609 -6.302 -3.417 336 1HZ LYS 44 1HZ LYS 44 20.418 -8.899 -2.536 337 2HZ LYS 44 2HZ LYS 44 18.831 -8.461 -2.923 338 3HZ LYS 44 3HZ LYS 44 19.719 -7.534 -1.822 339 H GLN 45 H GLN 45 14.408 -5.038 -4.444 340 HA GLN 45 HA GLN 45 14.949 -3.487 -6.635 341 1HB GLN 45 1HB GLN 45 12.911 -4.866 -6.332 342 2HB GLN 45 2HB GLN 45 12.282 -3.656 -5.222 343 1HG GLN 45 1HG GLN 45 12.008 -2.072 -6.922 344 2HG GLN 45 2HG GLN 45 13.039 -2.967 -8.037 345 1HE2 GLN 45 1HE2 GLN 45 10.721 -2.198 -9.020 346 2HE2 GLN 45 2HE2 GLN 45 9.605 -3.511 -9.145 347 H LEU 46 H LEU 46 13.144 -2.325 -3.782 348 HA LEU 46 HA LEU 46 13.822 0.421 -4.536 349 1HB LEU 46 1HB LEU 46 11.891 -0.618 -2.468 350 2HB LEU 46 2HB LEU 46 12.129 1.077 -2.889 351 HG LEU 46 HG LEU 46 11.314 -0.817 -5.038 352 1HD1 LEU 46 1HD1 LEU 46 9.199 -1.132 -4.341 353 2HD1 LEU 46 2HD1 LEU 46 9.112 0.439 -3.546 354 3HD1 LEU 46 3HD1 LEU 46 9.904 -0.914 -2.739 355 1HD2 LEU 46 1HD2 LEU 46 10.844 1.061 -6.148 356 2HD2 LEU 46 2HD2 LEU 46 11.757 1.891 -4.887 357 3HD2 LEU 46 3HD2 LEU 46 10.000 1.769 -4.771 358 H ASP 47 H ASP 47 15.764 -1.431 -3.344 359 HA ASP 47 HA ASP 47 17.205 -1.626 -1.554 360 1HB ASP 47 1HB ASP 47 18.071 0.279 -2.843 361 2HB ASP 47 2HB ASP 47 17.068 1.377 -1.899 362 H TRP 48 H TRP 48 14.558 -1.781 -0.647 363 HA TRP 48 HA TRP 48 14.591 -0.205 1.836 364 1HB TRP 48 1HB TRP 48 12.422 -1.356 0.153 365 2HB TRP 48 2HB TRP 48 12.149 -1.289 1.892 366 HD1 TRP 48 HD TRP 48 14.217 1.558 0.611 367 HE1 TRP 48 1HE TRP 48 12.796 3.704 0.538 368 HE3 TRP 48 3HE TRP 48 9.603 -0.496 1.405 369 HZ2 TRP 48 2HZ TRP 48 10.080 4.429 0.786 370 HZ3 TRP 48 3HZ TRP 48 7.645 0.993 1.474 371 HH2 TRP 48 HH TRP 48 7.881 3.404 1.171 372 H SER 49 H SER 49 13.133 -1.624 3.543 373 HA SER 49 HA SER 49 14.622 -4.151 3.832 374 1HB SER 49 1HB SER 49 15.079 -2.286 5.511 375 2HB SER 49 2HB SER 49 13.440 -2.551 6.104 376 HG SER 49 HG SER 49 15.704 -4.045 6.479 377 H VAL 50 H VAL 50 13.537 -5.977 4.585 378 HA VAL 50 HA VAL 50 11.050 -6.544 3.636 379 HB VAL 50 HB VAL 50 12.535 -8.274 4.495 380 1HG1 VAL 50 1HG1 VAL 50 13.410 -7.141 6.446 381 2HG1 VAL 50 2HG1 VAL 50 11.823 -7.186 7.217 382 3HG1 VAL 50 3HG1 VAL 50 12.703 -8.686 6.920 383 1HG2 VAL 50 1HG2 VAL 50 9.717 -8.079 5.375 384 2HG2 VAL 50 2HG2 VAL 50 10.499 -9.261 4.325 385 3HG2 VAL 50 3HG2 VAL 50 10.682 -9.379 6.075 386 H ARG 51 H ARG 51 11.839 -5.169 6.794 387 HA ARG 51 HA ARG 51 9.127 -5.192 7.722 388 1HB ARG 51 1HB ARG 51 9.988 -3.862 9.600 389 2HB ARG 51 2HB ARG 51 10.979 -5.284 9.305 390 1HG ARG 51 1HG ARG 51 12.514 -3.769 7.978 391 2HG ARG 51 2HG ARG 51 11.604 -2.420 8.661 392 1HD ARG 51 1HD ARG 51 13.398 -2.654 10.123 393 2HD ARG 51 2HD ARG 51 12.094 -3.520 10.935 394 HE ARG 51 HE ARG 51 13.804 -5.147 9.263 395 1HH1 ARG 51 2HH1 ARG 51 13.183 -3.894 12.451 396 2HH1 ARG 51 1HH1 ARG 51 14.088 -5.133 13.256 397 1HH2 ARG 51 2HH2 ARG 51 14.997 -6.784 10.311 398 2HH2 ARG 51 1HH2 ARG 51 15.120 -6.776 12.038 399 H LYS 52 H LYS 52 11.350 -2.626 6.645 400 HA LYS 52 HA LYS 52 9.702 -0.440 6.864 401 1HB LYS 52 1HB LYS 52 12.137 -0.532 6.112 402 2HB LYS 52 2HB LYS 52 11.522 -0.868 4.499 403 1HG LYS 52 1HG LYS 52 10.394 1.246 4.423 404 2HG LYS 52 2HG LYS 52 10.803 1.572 6.109 405 1HD LYS 52 1HD LYS 52 13.181 1.596 5.524 406 2HD LYS 52 2HD LYS 52 12.771 1.268 3.839 407 1HE LYS 52 1HE LYS 52 11.273 3.413 4.140 408 2HE LYS 52 2HE LYS 52 12.414 3.756 5.439 409 1HZ LYS 52 1HZ LYS 52 14.212 3.725 3.910 410 2HZ LYS 52 2HZ LYS 52 13.018 4.721 3.245 411 3HZ LYS 52 3HZ LYS 52 13.235 3.151 2.654 412 H ILE 53 H ILE 53 9.981 -2.617 4.062 413 HA ILE 53 HA ILE 53 8.122 -1.383 2.406 414 HB ILE 53 HB ILE 53 8.658 -4.348 2.619 415 1HG1 ILE 53 1HG1 ILE 53 9.937 -2.351 0.748 416 2HG1 ILE 53 2HG1 ILE 53 10.670 -2.848 2.270 417 1HG2 ILE 53 1HG2 ILE 53 7.812 -2.912 0.136 418 2HG2 ILE 53 2HG2 ILE 53 7.671 -4.621 0.542 419 3HG2 ILE 53 3HG2 ILE 53 6.612 -3.442 1.314 420 1HD1 ILE 53 1HD1 ILE 53 11.095 -4.024 -0.145 421 2HD1 ILE 53 2HD1 ILE 53 11.379 -4.784 1.422 422 3HD1 ILE 53 3HD1 ILE 53 9.867 -5.074 0.562 423 H GLN 54 H GLN 54 7.551 -4.204 4.519 424 HA GLN 54 HA GLN 54 4.904 -4.612 4.205 425 1HB GLN 54 1HB GLN 54 6.541 -4.647 6.731 426 2HB GLN 54 2HB GLN 54 4.851 -5.134 6.716 427 1HG GLN 54 1HG GLN 54 5.309 -6.924 5.203 428 2HG GLN 54 2HG GLN 54 6.967 -6.369 4.974 429 1HE2 GLN 54 1HE2 GLN 54 6.080 -8.959 5.844 430 2HE2 GLN 54 2HE2 GLN 54 6.743 -9.216 7.418 431 H CYS 55 H CYS 55 6.334 -2.108 6.273 432 HA CYS 55 HA CYS 55 4.032 -1.076 7.404 433 1HB CYS 55 1HB CYS 55 6.356 -0.402 7.993 434 2HB CYS 55 2HB CYS 55 6.436 0.520 6.496 435 HG CYS 55 HG CYS 55 6.073 2.280 8.648 436 H TRP 56 H TRP 56 5.533 -0.238 4.300 437 HA TRP 56 HA TRP 56 3.796 1.819 3.566 438 1HB TRP 56 1HB TRP 56 5.887 1.351 2.374 439 2HB TRP 56 2HB TRP 56 5.221 -0.170 1.784 440 HD1 TRP 56 HD TRP 56 5.443 3.463 0.948 441 HE1 TRP 56 1HE TRP 56 4.078 3.960 -1.177 442 HE3 TRP 56 3HE TRP 56 2.914 -0.963 0.553 443 HZ2 TRP 56 2HZ TRP 56 2.180 2.650 -2.805 444 HZ3 TRP 56 3HZ TRP 56 1.342 -1.260 -1.317 445 HH2 TRP 56 HH TRP 56 0.984 0.511 -2.959 446 H PHE 57 H PHE 57 3.549 -1.676 3.066 447 HA PHE 57 HA PHE 57 1.282 -1.698 1.437 448 1HB PHE 57 1HB PHE 57 2.558 -3.661 3.286 449 2HB PHE 57 2HB PHE 57 0.939 -4.010 2.692 450 HD1 PHE 57 1HD PHE 57 4.454 -3.574 1.768 451 HD2 PHE 57 2HD PHE 57 0.549 -4.547 0.382 452 HE1 PHE 57 1HE PHE 57 5.417 -4.445 -0.322 453 HE2 PHE 57 2HE PHE 57 1.505 -5.420 -1.710 454 HZ PHE 57 HZ PHE 57 3.942 -5.370 -2.064 455 H ARG 58 H ARG 58 1.437 -2.201 4.966 456 HA ARG 58 HA ARG 58 -1.236 -2.353 5.534 457 1HB ARG 58 1HB ARG 58 0.996 -1.077 7.111 458 2HB ARG 58 2HB ARG 58 -0.627 -1.280 7.756 459 1HG ARG 58 1HG ARG 58 -0.442 -3.576 7.867 460 2HG ARG 58 2HG ARG 58 0.835 -3.635 6.650 461 1HD ARG 58 1HD ARG 58 2.374 -2.568 8.248 462 2HD ARG 58 2HD ARG 58 1.095 -2.575 9.462 463 HE ARG 58 HE ARG 58 2.743 -4.782 8.680 464 1HH1 ARG 58 2HH1 ARG 58 -0.369 -3.882 9.957 465 2HH1 ARG 58 1HH1 ARG 58 -0.621 -5.395 10.762 466 1HH2 ARG 58 2HH2 ARG 58 2.422 -6.778 9.735 467 2HH2 ARG 58 1HH2 ARG 58 0.967 -7.042 10.636 468 H HIS 59 H HIS 59 0.695 0.645 5.496 469 HA HIS 59 HA HIS 59 -1.300 2.463 6.042 470 1HB HIS 59 1HB HIS 59 1.167 2.934 5.773 471 2HB HIS 59 2HB HIS 59 0.905 2.939 4.032 472 HD1 HIS 59 1HD HIS 59 -1.119 4.745 3.321 473 HD2 HIS 59 2HD HIS 59 0.983 5.401 6.844 474 HE1 HIS 59 1HE HIS 59 -1.470 7.173 3.871 475 HE2 HIS 59 2HE HIS 59 -0.119 7.568 5.960 476 H ARG 60 H ARG 60 -0.652 0.751 3.070 477 HA ARG 60 HA ARG 60 -2.186 2.342 1.324 478 1HB ARG 60 1HB ARG 60 -0.516 0.497 0.735 479 2HB ARG 60 2HB ARG 60 -1.821 -0.637 1.056 480 1HG ARG 60 1HG ARG 60 -1.819 -0.298 -1.267 481 2HG ARG 60 2HG ARG 60 -3.177 0.645 -0.650 482 1HD ARG 60 1HD ARG 60 -1.434 2.578 -0.560 483 2HD ARG 60 2HD ARG 60 -0.540 1.577 -1.703 484 HE ARG 60 HE ARG 60 -3.282 1.991 -2.446 485 1HH1 ARG 60 2HH1 ARG 60 -0.060 3.302 -2.575 486 2HH1 ARG 60 1HH1 ARG 60 -0.362 4.249 -3.994 487 1HH2 ARG 60 2HH2 ARG 60 -3.692 3.232 -4.315 488 2HH2 ARG 60 1HH2 ARG 60 -2.428 4.209 -4.983 489 H ARG 61 H ARG 61 -3.048 -0.856 2.658 490 HA ARG 61 HA ARG 61 -5.611 -1.120 1.943 491 1HB ARG 61 1HB ARG 61 -4.638 -1.570 4.770 492 2HB ARG 61 2HB ARG 61 -6.047 -2.316 4.029 493 1HG ARG 61 1HG ARG 61 -4.635 -3.501 2.460 494 2HG ARG 61 2HG ARG 61 -3.205 -2.699 3.113 495 1HD ARG 61 1HD ARG 61 -5.044 -4.534 4.646 496 2HD ARG 61 2HD ARG 61 -3.472 -4.981 3.985 497 HE ARG 61 HE ARG 61 -2.443 -3.826 5.698 498 1HH1 ARG 61 2HH1 ARG 61 -5.866 -3.191 5.705 499 2HH1 ARG 61 1HH1 ARG 61 -5.853 -2.423 7.258 500 1HH2 ARG 61 2HH2 ARG 61 -2.413 -2.817 7.744 501 2HH2 ARG 61 1HH2 ARG 61 -3.888 -2.211 8.417 502 H ASN 62 H ASN 62 -4.434 1.122 4.381 503 HA ASN 62 HA ASN 62 -7.092 1.973 5.127 504 1HB ASN 62 1HB ASN 62 -5.736 2.226 6.957 505 2HB ASN 62 2HB ASN 62 -4.317 2.608 5.988 506 1HD2 ASN 62 1HD2 ASN 62 -4.196 4.740 5.045 507 2HD2 ASN 62 2HD2 ASN 62 -4.943 6.070 5.856 508 H GLN 63 H GLN 63 -4.399 3.219 3.210 509 HA GLN 63 HA GLN 63 -5.368 5.777 2.692 510 1HB GLN 63 1HB GLN 63 -3.101 5.104 2.114 511 2HB GLN 63 2HB GLN 63 -3.716 3.972 0.918 512 1HG GLN 63 1HG GLN 63 -4.194 5.604 -0.592 513 2HG GLN 63 2HG GLN 63 -4.487 6.821 0.649 514 1HE2 GLN 63 1HE2 GLN 63 -2.368 5.748 -1.678 515 2HE2 GLN 63 2HE2 GLN 63 -0.962 6.624 -1.189 516 H ASP 64 H ASP 64 -5.672 2.891 0.615 517 HA ASP 64 HA ASP 64 -7.227 3.866 -1.392 518 1HB ASP 64 1HB ASP 64 -6.404 1.543 -1.282 519 2HB ASP 64 2HB ASP 64 -7.601 1.185 -0.040 520 H LYS 65 H LYS 65 -8.269 3.003 1.856 521 HA LYS 65 HA LYS 65 -10.937 4.085 1.223 522 1HB LYS 65 1HB LYS 65 -10.558 1.572 1.971 523 2HB LYS 65 2HB LYS 65 -10.514 2.294 3.573 524 1HG LYS 65 1HG LYS 65 -12.731 3.406 2.914 525 2HG LYS 65 2HG LYS 65 -12.771 2.218 1.609 526 1HD LYS 65 1HD LYS 65 -12.300 0.517 3.538 527 2HD LYS 65 2HD LYS 65 -12.941 1.804 4.563 528 1HE LYS 65 1HE LYS 65 -15.027 1.778 3.446 529 2HE LYS 65 2HE LYS 65 -14.395 0.783 2.135 530 1HZ LYS 65 1HZ LYS 65 -15.607 -0.677 3.461 531 2HZ LYS 65 2HZ LYS 65 -15.025 -0.022 4.908 532 3HZ LYS 65 3HZ LYS 65 -14.005 -0.953 3.930 533 HA PRO 66 HA PRO 66 -9.015 7.004 4.223 534 1HB PRO 66 1HB PRO 66 -10.147 9.213 3.121 535 2HB PRO 66 2HB PRO 66 -8.634 8.513 2.532 536 1HG PRO 66 1HG PRO 66 -11.410 8.205 1.454 537 2HG PRO 66 2HG PRO 66 -9.892 8.466 0.577 538 1HD PRO 66 1HD PRO 66 -11.045 6.026 0.799 539 2HD PRO 66 2HD PRO 66 -9.286 6.246 0.712 540 H SER 67 H SER 67 -12.134 5.970 3.441 541 HA SER 67 HA SER 67 -13.913 7.612 4.667 542 1HB SER 67 1HB SER 67 -14.575 5.511 3.603 543 2HB SER 67 2HB SER 67 -13.820 4.594 4.905 544 HG SER 67 HG SER 67 -16.202 6.041 4.887 545 H GLY 68 H GLY 68 -13.617 8.697 6.509 546 1HA GLY 68 1HA GLY 68 -13.448 7.245 8.991 547 2HA GLY 68 2HA GLY 68 -11.994 8.162 8.627 548 HA PRO 69 HA PRO 69 -13.746 11.898 10.099 549 1HB PRO 69 1HB PRO 69 -13.289 13.727 8.146 550 2HB PRO 69 2HB PRO 69 -12.002 13.061 9.159 551 1HG PRO 69 1HG PRO 69 -12.815 12.293 6.382 552 2HG PRO 69 2HG PRO 69 -11.188 12.506 7.053 553 1HD PRO 69 1HD PRO 69 -12.319 10.068 6.721 554 2HD PRO 69 2HD PRO 69 -11.185 10.424 8.041 555 H SER 70 H SER 70 -15.189 10.312 7.581 556 HA SER 70 HA SER 70 -17.353 10.288 6.847 557 1HB SER 70 1HB SER 70 -17.754 11.303 9.220 558 2HB SER 70 2HB SER 70 -17.972 12.818 8.343 559 HG SER 70 HG SER 70 -19.927 12.128 8.031 560 H SER 71 H SER 71 -15.554 11.221 5.150 561 HA SER 71 HA SER 71 -16.933 13.465 3.846 562 1HB SER 71 1HB SER 71 -14.954 14.452 4.786 563 2HB SER 71 2HB SER 71 -13.947 13.131 4.194 564 HG SER 71 HG SER 71 -14.599 13.834 2.042 565 H GLY 72 H GLY 72 -17.021 13.394 1.606 566 1HA GLY 72 1HA GLY 72 -16.707 12.522 -0.528 567 2HA GLY 72 2HA GLY 72 -15.615 11.324 0.151 Start of MODEL 20 1 1H GLY 1 H GLY 1 -32.963 8.700 9.719 2 1HA GLY 1 1HA GLY 1 -31.533 8.725 7.907 3 2HA GLY 1 2HA GLY 1 -31.206 7.023 8.199 4 H SER 2 H SER 2 -31.784 5.726 6.603 5 HA SER 2 HA SER 2 -32.765 4.953 4.696 6 1HB SER 2 1HB SER 2 -35.249 6.203 5.893 7 2HB SER 2 2HB SER 2 -35.200 4.918 4.686 8 HG SER 2 HG SER 2 -34.568 3.504 6.184 9 H SER 3 H SER 3 -31.474 7.383 4.350 10 HA SER 3 HA SER 3 -33.220 8.737 2.398 11 1HB SER 3 1HB SER 3 -32.327 9.992 4.546 12 2HB SER 3 2HB SER 3 -30.857 10.137 3.583 13 HG SER 3 HG SER 3 -31.800 11.657 2.502 14 H GLY 4 H GLY 4 -31.721 10.055 0.798 15 1HA GLY 4 1HA GLY 4 -29.381 8.454 0.045 16 2HA GLY 4 2HA GLY 4 -30.680 8.630 -1.125 17 H SER 5 H SER 5 -27.741 9.781 -0.301 18 HA SER 5 HA SER 5 -28.231 12.301 -1.719 19 1HB SER 5 1HB SER 5 -26.684 12.011 0.865 20 2HB SER 5 2HB SER 5 -26.634 13.447 -0.158 21 HG SER 5 HG SER 5 -29.022 12.360 0.916 22 H SER 6 H SER 6 -26.561 12.998 -3.026 23 HA SER 6 HA SER 6 -24.087 11.440 -3.067 24 1HB SER 6 1HB SER 6 -25.896 11.805 -5.466 25 2HB SER 6 2HB SER 6 -24.256 11.160 -5.535 26 HG SER 6 HG SER 6 -26.595 9.975 -4.661 27 H GLY 7 H GLY 7 -22.628 12.409 -4.924 28 1HA GLY 7 1HA GLY 7 -22.547 14.734 -6.096 29 2HA GLY 7 2HA GLY 7 -22.596 15.303 -4.434 30 H GLY 8 H GLY 8 -20.885 14.203 -2.985 31 1HA GLY 8 1HA GLY 8 -18.683 13.553 -2.609 32 2HA GLY 8 2HA GLY 8 -18.447 13.442 -4.347 33 H ILE 9 H ILE 9 -18.581 15.656 -1.614 34 HA ILE 9 HA ILE 9 -17.174 17.670 -3.236 35 HB ILE 9 HB ILE 9 -18.693 18.044 -0.651 36 1HG1 ILE 9 1HG1 ILE 9 -19.404 19.167 -3.354 37 2HG1 ILE 9 2HG1 ILE 9 -19.980 17.588 -2.833 38 1HG2 ILE 9 1HG2 ILE 9 -16.606 19.550 -1.523 39 2HG2 ILE 9 2HG2 ILE 9 -17.972 20.387 -2.259 40 3HG2 ILE 9 3HG2 ILE 9 -17.923 20.148 -0.513 41 1HD1 ILE 9 1HD1 ILE 9 -20.438 20.085 -1.234 42 2HD1 ILE 9 2HD1 ILE 9 -21.547 19.528 -2.487 43 3HD1 ILE 9 3HD1 ILE 9 -21.235 18.520 -1.074 44 H LYS 10 H LYS 10 -15.126 16.679 -2.980 45 HA LYS 10 HA LYS 10 -13.955 17.110 -0.314 46 1HB LYS 10 1HB LYS 10 -14.300 14.674 -0.844 47 2HB LYS 10 2HB LYS 10 -13.179 14.868 -2.186 48 1HG LYS 10 1HG LYS 10 -11.374 15.344 -0.720 49 2HG LYS 10 2HG LYS 10 -12.456 15.482 0.667 50 1HD LYS 10 1HD LYS 10 -11.407 13.357 0.823 51 2HD LYS 10 2HD LYS 10 -13.066 13.067 0.293 52 1HE LYS 10 1HE LYS 10 -10.968 13.416 -1.785 53 2HE LYS 10 2HE LYS 10 -10.994 11.904 -0.879 54 1HZ LYS 10 1HZ LYS 10 -13.082 11.365 -1.682 55 2HZ LYS 10 2HZ LYS 10 -12.342 12.062 -3.034 56 3HZ LYS 10 3HZ LYS 10 -13.453 12.956 -2.123 57 H ASP 11 H ASP 11 -11.534 17.301 -0.414 58 HA ASP 11 HA ASP 11 -10.373 18.103 -2.923 59 1HB ASP 11 1HB ASP 11 -9.987 20.397 -2.437 60 2HB ASP 11 2HB ASP 11 -11.697 20.116 -2.120 61 H SER 12 H SER 12 -8.436 17.199 -2.837 62 HA SER 12 HA SER 12 -6.693 17.697 -0.576 63 1HB SER 12 1HB SER 12 -7.776 14.981 -1.239 64 2HB SER 12 2HB SER 12 -6.142 15.132 -0.592 65 HG SER 12 HG SER 12 -6.989 16.125 1.230 66 HA PRO 13 HA PRO 13 -3.642 17.796 -3.734 67 1HB PRO 13 1HB PRO 13 -1.423 17.192 -2.291 68 2HB PRO 13 2HB PRO 13 -2.251 18.750 -2.174 69 1HG PRO 13 1HG PRO 13 -2.428 16.370 -0.367 70 2HG PRO 13 2HG PRO 13 -2.314 18.089 0.054 71 1HD PRO 13 1HD PRO 13 -4.657 16.732 0.092 72 2HD PRO 13 2HD PRO 13 -4.559 18.457 -0.314 73 H VAL 14 H VAL 14 -1.507 16.412 -4.287 74 HA VAL 14 HA VAL 14 -2.457 13.645 -4.569 75 HB VAL 14 HB VAL 14 -0.825 13.485 -6.440 76 1HG1 VAL 14 1HG1 VAL 14 -3.239 14.110 -6.731 77 2HG1 VAL 14 2HG1 VAL 14 -2.722 15.796 -6.810 78 3HG1 VAL 14 3HG1 VAL 14 -2.168 14.644 -8.026 79 1HG2 VAL 14 1HG2 VAL 14 0.801 14.997 -6.565 80 2HG2 VAL 14 2HG2 VAL 14 -0.406 16.176 -7.077 81 3HG2 VAL 14 3HG2 VAL 14 0.009 16.025 -5.370 82 H ASN 15 H ASN 15 -1.194 14.533 -2.153 83 HA ASN 15 HA ASN 15 1.526 14.001 -1.971 84 1HB ASN 15 1HB ASN 15 1.222 13.836 0.366 85 2HB ASN 15 2HB ASN 15 -0.045 14.932 -0.178 86 1HD2 ASN 15 1HD2 ASN 15 0.386 12.823 2.055 87 2HD2 ASN 15 2HD2 ASN 15 -1.120 11.978 2.073 88 H LYS 16 H LYS 16 2.647 12.233 -2.410 89 HA LYS 16 HA LYS 16 1.291 9.655 -2.547 90 1HB LYS 16 1HB LYS 16 3.345 8.869 -3.640 91 2HB LYS 16 2HB LYS 16 2.698 10.298 -4.435 92 1HG LYS 16 1HG LYS 16 4.371 11.689 -3.479 93 2HG LYS 16 2HG LYS 16 4.916 10.397 -2.407 94 1HD LYS 16 1HD LYS 16 6.505 10.337 -4.087 95 2HD LYS 16 2HD LYS 16 5.358 9.106 -4.621 96 1HE LYS 16 1HE LYS 16 4.403 10.561 -6.223 97 2HE LYS 16 2HE LYS 16 5.211 11.968 -5.534 98 1HZ LYS 16 1HZ LYS 16 6.553 9.703 -6.909 99 2HZ LYS 16 2HZ LYS 16 7.332 11.049 -6.243 100 3HZ LYS 16 3HZ LYS 16 6.292 11.242 -7.563 101 H VAL 17 H VAL 17 1.531 8.073 -1.095 102 HA VAL 17 HA VAL 17 2.559 8.459 1.433 103 HB VAL 17 HB VAL 17 2.554 5.982 1.672 104 1HG1 VAL 17 1HG1 VAL 17 0.487 7.580 1.694 105 2HG1 VAL 17 2HG1 VAL 17 0.053 6.715 0.219 106 3HG1 VAL 17 3HG1 VAL 17 0.258 5.833 1.732 107 1HG2 VAL 17 1HG2 VAL 17 1.866 6.054 -1.264 108 2HG2 VAL 17 2HG2 VAL 17 3.316 5.359 -0.539 109 3HG2 VAL 17 3HG2 VAL 17 1.739 4.632 -0.228 110 H GLU 18 H GLU 18 4.128 6.881 -1.337 111 HA GLU 18 HA GLU 18 6.712 7.744 -0.582 112 1HB GLU 18 1HB GLU 18 5.828 5.063 0.339 113 2HB GLU 18 2HB GLU 18 7.443 5.174 -0.346 114 1HG GLU 18 1HG GLU 18 7.587 7.239 1.313 115 2HG GLU 18 2HG GLU 18 6.363 6.302 2.168 116 HA PRO 19 HA PRO 19 7.612 6.722 -4.751 117 1HB PRO 19 1HB PRO 19 10.225 5.992 -4.647 118 2HB PRO 19 2HB PRO 19 9.686 7.663 -4.445 119 1HG PRO 19 1HG PRO 19 10.437 5.651 -2.360 120 2HG PRO 19 2HG PRO 19 10.854 7.371 -2.456 121 1HD PRO 19 1HD PRO 19 8.874 6.439 -0.862 122 2HD PRO 19 2HD PRO 19 8.813 8.042 -1.622 123 H ASN 20 H ASN 20 7.303 4.373 -2.474 124 HA ASN 20 HA ASN 20 8.242 2.157 -4.112 125 1HB ASN 20 1HB ASN 20 7.253 2.456 -1.309 126 2HB ASN 20 2HB ASN 20 7.119 0.879 -2.080 127 1HD2 ASN 20 1HD2 ASN 20 9.604 3.388 -2.314 128 2HD2 ASN 20 2HD2 ASN 20 10.909 2.388 -1.780 129 H ASP 21 H ASP 21 5.898 3.965 -4.779 130 HA ASP 21 HA ASP 21 3.433 2.857 -4.519 131 1HB ASP 21 1HB ASP 21 4.205 3.703 -7.273 132 2HB ASP 21 2HB ASP 21 2.776 4.117 -6.330 133 H THR 22 H THR 22 6.065 1.674 -6.500 134 HA THR 22 HA THR 22 4.932 -0.029 -8.264 135 HB THR 22 HB THR 22 7.338 -0.503 -6.509 136 HG1 THR 22 1HG THR 22 8.223 0.685 -8.009 137 1HG2 THR 22 1HG2 THR 22 6.358 -2.673 -7.218 138 2HG2 THR 22 2HG2 THR 22 7.947 -2.368 -7.919 139 3HG2 THR 22 3HG2 THR 22 6.495 -2.149 -8.896 140 H LEU 23 H LEU 23 5.010 -0.415 -4.788 141 HA LEU 23 HA LEU 23 4.200 -3.133 -4.716 142 1HB LEU 23 1HB LEU 23 4.224 -0.887 -2.743 143 2HB LEU 23 2HB LEU 23 3.407 -2.398 -2.350 144 HG LEU 23 HG LEU 23 5.443 -3.618 -2.429 145 1HD1 LEU 23 1HD1 LEU 23 7.527 -2.757 -3.178 146 2HD1 LEU 23 2HD1 LEU 23 6.870 -1.128 -3.335 147 3HD1 LEU 23 3HD1 LEU 23 6.337 -2.403 -4.431 148 1HD2 LEU 23 1HD2 LEU 23 6.106 -2.902 -0.430 149 2HD2 LEU 23 2HD2 LEU 23 4.993 -1.550 -0.636 150 3HD2 LEU 23 3HD2 LEU 23 6.689 -1.374 -1.091 151 H GLU 24 H GLU 24 2.448 -0.067 -4.658 152 HA GLU 24 HA GLU 24 -0.077 -0.788 -3.981 153 1HB GLU 24 1HB GLU 24 0.306 1.479 -4.526 154 2HB GLU 24 2HB GLU 24 0.877 1.079 -6.140 155 1HG GLU 24 1HG GLU 24 -1.942 0.521 -5.299 156 2HG GLU 24 2HG GLU 24 -1.451 2.104 -5.897 157 H LYS 25 H LYS 25 1.535 -1.446 -7.041 158 HA LYS 25 HA LYS 25 -0.757 -2.500 -8.359 159 1HB LYS 25 1HB LYS 25 2.202 -2.652 -8.882 160 2HB LYS 25 2HB LYS 25 1.053 -3.543 -9.872 161 1HG LYS 25 1HG LYS 25 0.045 -1.563 -10.661 162 2HG LYS 25 2HG LYS 25 0.855 -0.577 -9.441 163 1HD LYS 25 1HD LYS 25 2.119 -0.151 -11.332 164 2HD LYS 25 2HD LYS 25 3.034 -1.447 -10.559 165 1HE LYS 25 1HE LYS 25 2.250 -3.053 -12.080 166 2HE LYS 25 2HE LYS 25 0.937 -2.014 -12.632 167 1HZ LYS 25 1HZ LYS 25 2.428 -1.801 -14.334 168 2HZ LYS 25 2HZ LYS 25 3.786 -1.940 -13.336 169 3HZ LYS 25 3HZ LYS 25 2.903 -0.497 -13.367 170 H VAL 26 H VAL 26 2.195 -4.237 -7.365 171 HA VAL 26 HA VAL 26 1.335 -6.804 -7.584 172 HB VAL 26 HB VAL 26 3.588 -5.752 -6.633 173 1HG1 VAL 26 1HG1 VAL 26 2.484 -5.124 -4.489 174 2HG1 VAL 26 2HG1 VAL 26 2.285 -6.843 -4.144 175 3HG1 VAL 26 3HG1 VAL 26 3.902 -6.154 -4.293 176 1HG2 VAL 26 1HG2 VAL 26 3.553 -8.325 -5.488 177 2HG2 VAL 26 2HG2 VAL 26 2.482 -8.379 -6.888 178 3HG2 VAL 26 3HG2 VAL 26 4.155 -7.854 -7.078 179 H PHE 27 H PHE 27 0.667 -4.590 -4.918 180 HA PHE 27 HA PHE 27 -0.430 -6.279 -3.054 181 1HB PHE 27 1HB PHE 27 -0.232 -4.032 -2.411 182 2HB PHE 27 2HB PHE 27 -1.099 -3.454 -3.831 183 HD1 PHE 27 1HD PHE 27 -1.405 -4.829 -0.470 184 HD2 PHE 27 2HD PHE 27 -3.525 -3.527 -3.924 185 HE1 PHE 27 1HE PHE 27 -3.486 -4.752 0.840 186 HE2 PHE 27 2HE PHE 27 -5.609 -3.447 -2.619 187 HZ PHE 27 HZ PHE 27 -5.592 -4.058 -0.234 188 H VAL 28 H VAL 28 -2.064 -4.806 -5.840 189 HA VAL 28 HA VAL 28 -4.351 -6.599 -5.380 190 HB VAL 28 HB VAL 28 -5.009 -4.278 -5.450 191 1HG1 VAL 28 1HG1 VAL 28 -2.977 -4.068 -7.398 192 2HG1 VAL 28 2HG1 VAL 28 -4.492 -3.601 -8.174 193 3HG1 VAL 28 3HG1 VAL 28 -3.961 -2.778 -6.706 194 1HG2 VAL 28 1HG2 VAL 28 -5.896 -5.065 -8.149 195 2HG2 VAL 28 2HG2 VAL 28 -6.177 -6.248 -6.872 196 3HG2 VAL 28 3HG2 VAL 28 -6.840 -4.620 -6.727 197 H SER 29 H SER 29 -1.595 -6.724 -6.980 198 HA SER 29 HA SER 29 -2.716 -7.693 -9.513 199 1HB SER 29 1HB SER 29 -0.666 -6.029 -9.232 200 2HB SER 29 2HB SER 29 0.229 -7.537 -9.049 201 HG SER 29 HG SER 29 -0.385 -6.444 -11.283 202 H VAL 30 H VAL 30 -0.432 -8.655 -6.963 203 HA VAL 30 HA VAL 30 -0.746 -11.452 -7.822 204 HB VAL 30 HB VAL 30 1.327 -11.965 -6.787 205 1HG1 VAL 30 1HG1 VAL 30 2.878 -10.249 -7.837 206 2HG1 VAL 30 2HG1 VAL 30 1.709 -11.019 -8.911 207 3HG1 VAL 30 3HG1 VAL 30 1.421 -9.382 -8.321 208 1HG2 VAL 30 1HG2 VAL 30 2.621 -10.244 -5.530 209 2HG2 VAL 30 2HG2 VAL 30 1.200 -9.201 -5.587 210 3HG2 VAL 30 3HG2 VAL 30 1.129 -10.743 -4.733 211 H THR 31 H THR 31 -0.585 -9.411 -4.916 212 HA THR 31 HA THR 31 -2.706 -10.794 -3.637 213 HB THR 31 HB THR 31 -0.939 -12.502 -3.333 214 HG1 THR 31 1HG THR 31 -1.478 -11.286 -0.827 215 1HG2 THR 31 1HG2 THR 31 0.553 -11.119 -1.286 216 2HG2 THR 31 2HG2 THR 31 0.697 -10.290 -2.836 217 3HG2 THR 31 3HG2 THR 31 1.138 -11.992 -2.701 218 H LYS 32 H LYS 32 -3.395 -9.769 -1.748 219 HA LYS 32 HA LYS 32 -2.576 -7.043 -1.483 220 1HB LYS 32 1HB LYS 32 -4.365 -8.525 0.434 221 2HB LYS 32 2HB LYS 32 -4.364 -6.808 0.052 222 1HG LYS 32 1HG LYS 32 -4.933 -8.734 -2.137 223 2HG LYS 32 2HG LYS 32 -6.181 -8.442 -0.923 224 1HD LYS 32 1HD LYS 32 -4.824 -6.091 -2.141 225 2HD LYS 32 2HD LYS 32 -6.004 -6.971 -3.115 226 1HE LYS 32 1HE LYS 32 -6.690 -6.164 -0.322 227 2HE LYS 32 2HE LYS 32 -6.761 -4.970 -1.617 228 1HZ LYS 32 1HZ LYS 32 -8.886 -6.163 -1.159 229 2HZ LYS 32 2HZ LYS 32 -8.163 -7.581 -1.730 230 3HZ LYS 32 3HZ LYS 32 -8.364 -6.258 -2.766 231 H TYR 33 H TYR 33 -2.219 -9.961 0.483 232 HA TYR 33 HA TYR 33 -0.388 -8.475 2.248 233 1HB TYR 33 1HB TYR 33 -2.234 -10.784 2.729 234 2HB TYR 33 2HB TYR 33 -0.804 -10.593 3.738 235 HD1 TYR 33 1HD TYR 33 -0.932 -9.268 5.635 236 HD2 TYR 33 2HD TYR 33 -3.755 -8.665 2.510 237 HE1 TYR 33 1HE TYR 33 -2.136 -7.650 7.043 238 HE2 TYR 33 2HE TYR 33 -4.966 -7.045 3.909 239 HH TYR 33 HH TYR 33 -5.231 -6.349 6.110 240 HA PRO 34 HA PRO 34 2.490 -11.111 -0.103 241 1HB PRO 34 1HB PRO 34 4.629 -9.491 0.313 242 2HB PRO 34 2HB PRO 34 3.441 -9.204 -0.964 243 1HG PRO 34 1HG PRO 34 3.660 -7.936 1.739 244 2HG PRO 34 2HG PRO 34 3.311 -7.180 0.173 245 1HD PRO 34 1HD PRO 34 1.375 -7.759 1.976 246 2HD PRO 34 2HD PRO 34 1.093 -7.807 0.224 247 H ASP 35 H ASP 35 4.364 -12.305 0.549 248 HA ASP 35 HA ASP 35 4.650 -12.496 3.475 249 1HB ASP 35 1HB ASP 35 5.266 -14.709 1.522 250 2HB ASP 35 2HB ASP 35 5.030 -14.828 3.263 251 H GLU 36 H GLU 36 6.786 -13.279 4.230 252 HA GLU 36 HA GLU 36 8.853 -11.666 3.763 253 1HB GLU 36 1HB GLU 36 8.900 -13.454 5.442 254 2HB GLU 36 2HB GLU 36 9.120 -14.649 4.171 255 1HG GLU 36 1HG GLU 36 11.212 -13.157 3.598 256 2HG GLU 36 2HG GLU 36 11.048 -12.689 5.290 257 H LYS 37 H LYS 37 8.641 -14.803 2.074 258 HA LYS 37 HA LYS 37 10.678 -14.719 0.350 259 1HB LYS 37 1HB LYS 37 9.024 -15.677 -1.409 260 2HB LYS 37 2HB LYS 37 9.289 -16.563 0.087 261 1HG LYS 37 1HG LYS 37 7.039 -16.640 0.088 262 2HG LYS 37 2HG LYS 37 7.212 -15.052 0.839 263 1HD LYS 37 1HD LYS 37 5.749 -14.496 -0.814 264 2HD LYS 37 2HD LYS 37 7.254 -14.292 -1.713 265 1HE LYS 37 1HE LYS 37 5.874 -15.561 -3.124 266 2HE LYS 37 2HE LYS 37 6.978 -16.730 -2.401 267 1HZ LYS 37 1HZ LYS 37 4.132 -16.260 -1.742 268 2HZ LYS 37 2HZ LYS 37 5.161 -17.117 -0.711 269 3HZ LYS 37 3HZ LYS 37 4.861 -17.691 -2.273 270 H ARG 38 H ARG 38 7.647 -12.930 -0.125 271 HA ARG 38 HA ARG 38 8.484 -11.724 -2.570 272 1HB ARG 38 1HB ARG 38 6.083 -12.076 -1.620 273 2HB ARG 38 2HB ARG 38 6.374 -10.556 -0.787 274 1HG ARG 38 1HG ARG 38 6.424 -9.337 -2.744 275 2HG ARG 38 2HG ARG 38 6.826 -10.744 -3.730 276 1HD ARG 38 1HD ARG 38 4.194 -10.480 -2.306 277 2HD ARG 38 2HD ARG 38 4.457 -9.822 -3.920 278 HE ARG 38 HE ARG 38 3.978 -12.532 -3.261 279 1HH1 ARG 38 2HH1 ARG 38 5.838 -10.516 -5.405 280 2HH1 ARG 38 1HH1 ARG 38 5.940 -11.713 -6.653 281 1HH2 ARG 38 2HH2 ARG 38 4.105 -14.117 -4.897 282 2HH2 ARG 38 1HH2 ARG 38 4.953 -13.761 -6.364 283 H LEU 39 H LEU 39 8.352 -10.639 0.802 284 HA LEU 39 HA LEU 39 9.074 -7.994 0.496 285 1HB LEU 39 1HB LEU 39 9.471 -10.016 2.639 286 2HB LEU 39 2HB LEU 39 10.338 -8.487 2.767 287 HG LEU 39 HG LEU 39 8.319 -8.370 4.065 288 1HD1 LEU 39 1HD1 LEU 39 7.664 -6.304 3.379 289 2HD1 LEU 39 2HD1 LEU 39 7.524 -6.784 1.688 290 3HD1 LEU 39 3HD1 LEU 39 9.113 -6.476 2.389 291 1HD2 LEU 39 1HD2 LEU 39 6.468 -8.555 1.796 292 2HD2 LEU 39 2HD2 LEU 39 6.312 -9.163 3.444 293 3HD2 LEU 39 3HD2 LEU 39 7.237 -10.075 2.250 294 H LYS 40 H LYS 40 11.196 -10.827 0.743 295 HA LYS 40 HA LYS 40 13.664 -9.629 0.809 296 1HB LYS 40 1HB LYS 40 12.700 -12.164 -0.481 297 2HB LYS 40 2HB LYS 40 14.383 -11.673 -0.627 298 1HG LYS 40 1HG LYS 40 14.644 -11.713 1.772 299 2HG LYS 40 2HG LYS 40 12.931 -12.081 1.980 300 1HD LYS 40 1HD LYS 40 14.076 -14.138 2.207 301 2HD LYS 40 2HD LYS 40 13.347 -14.162 0.600 302 1HE LYS 40 1HE LYS 40 15.395 -13.808 -0.462 303 2HE LYS 40 2HE LYS 40 16.160 -13.210 1.009 304 1HZ LYS 40 1HZ LYS 40 15.667 -15.965 0.158 305 2HZ LYS 40 2HZ LYS 40 15.610 -15.633 1.815 306 3HZ LYS 40 3HZ LYS 40 17.015 -15.300 0.935 307 H GLY 41 H GLY 41 11.706 -10.346 -2.071 308 1HA GLY 41 1HA GLY 41 13.544 -9.420 -3.983 309 2HA GLY 41 2HA GLY 41 11.805 -9.527 -4.212 310 H LEU 42 H LEU 42 10.558 -7.726 -3.030 311 HA LEU 42 HA LEU 42 11.099 -5.297 -4.174 312 1HB LEU 42 1HB LEU 42 9.570 -6.054 -1.716 313 2HB LEU 42 2HB LEU 42 9.727 -4.363 -2.185 314 HG LEU 42 HG LEU 42 8.531 -6.510 -3.934 315 1HD1 LEU 42 1HD1 LEU 42 6.960 -6.364 -2.261 316 2HD1 LEU 42 2HD1 LEU 42 6.416 -5.097 -3.360 317 3HD1 LEU 42 3HD1 LEU 42 7.328 -4.675 -1.912 318 1HD2 LEU 42 1HD2 LEU 42 9.139 -4.878 -5.416 319 2HD2 LEU 42 2HD2 LEU 42 9.026 -3.589 -4.217 320 3HD2 LEU 42 3HD2 LEU 42 7.559 -4.269 -4.924 321 H SER 43 H SER 43 12.226 -6.522 -1.071 322 HA SER 43 HA SER 43 13.250 -4.244 0.084 323 1HB SER 43 1HB SER 43 13.365 -6.187 1.395 324 2HB SER 43 2HB SER 43 14.174 -7.107 0.127 325 HG SER 43 HG SER 43 15.490 -4.856 1.101 326 H LYS 44 H LYS 44 14.677 -6.251 -2.442 327 HA LYS 44 HA LYS 44 17.091 -4.658 -2.538 328 1HB LYS 44 1HB LYS 44 17.263 -7.039 -2.969 329 2HB LYS 44 2HB LYS 44 16.099 -6.919 -4.282 330 1HG LYS 44 1HG LYS 44 18.082 -6.986 -5.430 331 2HG LYS 44 2HG LYS 44 17.822 -5.246 -5.289 332 1HD LYS 44 1HD LYS 44 19.335 -6.595 -3.119 333 2HD LYS 44 2HD LYS 44 20.143 -6.389 -4.675 334 1HE LYS 44 1HE LYS 44 18.722 -4.051 -3.514 335 2HE LYS 44 2HE LYS 44 20.248 -4.540 -2.778 336 1HZ LYS 44 1HZ LYS 44 21.423 -4.050 -4.669 337 2HZ LYS 44 2HZ LYS 44 20.233 -2.849 -4.723 338 3HZ LYS 44 3HZ LYS 44 20.090 -4.226 -5.696 339 H GLN 45 H GLN 45 14.323 -5.287 -4.683 340 HA GLN 45 HA GLN 45 14.970 -3.729 -6.835 341 1HB GLN 45 1HB GLN 45 12.961 -5.073 -6.808 342 2HB GLN 45 2HB GLN 45 12.266 -4.080 -5.534 343 1HG GLN 45 1HG GLN 45 12.591 -2.161 -7.291 344 2HG GLN 45 2HG GLN 45 12.579 -3.504 -8.433 345 1HE2 GLN 45 1HE2 GLN 45 10.702 -4.643 -8.774 346 2HE2 GLN 45 2HE2 GLN 45 9.164 -4.118 -8.187 347 H LEU 46 H LEU 46 13.301 -2.631 -3.889 348 HA LEU 46 HA LEU 46 13.821 0.144 -4.697 349 1HB LEU 46 1HB LEU 46 11.954 -0.961 -2.604 350 2HB LEU 46 2HB LEU 46 12.159 0.747 -2.985 351 HG LEU 46 HG LEU 46 11.334 -1.100 -5.170 352 1HD1 LEU 46 1HD1 LEU 46 9.143 0.072 -3.594 353 2HD1 LEU 46 2HD1 LEU 46 9.971 -1.297 -2.854 354 3HD1 LEU 46 3HD1 LEU 46 9.236 -1.469 -4.447 355 1HD2 LEU 46 1HD2 LEU 46 10.754 0.797 -6.210 356 2HD2 LEU 46 2HD2 LEU 46 11.755 1.590 -4.993 357 3HD2 LEU 46 3HD2 LEU 46 10.009 1.478 -4.763 358 H ASP 47 H ASP 47 15.702 -1.848 -3.403 359 HA ASP 47 HA ASP 47 17.153 -1.996 -1.622 360 1HB ASP 47 1HB ASP 47 17.201 0.983 -2.153 361 2HB ASP 47 2HB ASP 47 18.459 0.064 -1.331 362 H TRP 48 H TRP 48 14.593 -2.038 -0.629 363 HA TRP 48 HA TRP 48 14.654 -0.215 1.676 364 1HB TRP 48 1HB TRP 48 12.472 -1.564 0.169 365 2HB TRP 48 2HB TRP 48 12.233 -1.330 1.899 366 HD1 TRP 48 HD TRP 48 14.218 1.404 0.270 367 HE1 TRP 48 1HE TRP 48 12.759 3.511 0.029 368 HE3 TRP 48 3HE TRP 48 9.669 -0.621 1.431 369 HZ2 TRP 48 2HZ TRP 48 10.040 4.220 0.296 370 HZ3 TRP 48 3HZ TRP 48 7.690 0.839 1.415 371 HH2 TRP 48 HH TRP 48 7.873 3.210 0.860 372 H SER 49 H SER 49 13.257 -1.467 3.556 373 HA SER 49 HA SER 49 14.801 -3.922 4.080 374 1HB SER 49 1HB SER 49 13.672 -1.972 6.102 375 2HB SER 49 2HB SER 49 14.661 -3.388 6.457 376 HG SER 49 HG SER 49 15.447 -0.915 5.793 377 H VAL 50 H VAL 50 13.756 -5.741 4.711 378 HA VAL 50 HA VAL 50 11.237 -6.360 3.976 379 HB VAL 50 HB VAL 50 12.762 -8.060 4.786 380 1HG1 VAL 50 1HG1 VAL 50 13.904 -7.746 6.664 381 2HG1 VAL 50 2HG1 VAL 50 12.886 -6.368 7.091 382 3HG1 VAL 50 3HG1 VAL 50 12.417 -7.997 7.579 383 1HG2 VAL 50 1HG2 VAL 50 11.159 -9.310 6.315 384 2HG2 VAL 50 2HG2 VAL 50 10.120 -7.889 6.211 385 3HG2 VAL 50 3HG2 VAL 50 10.524 -8.794 4.752 386 H ARG 51 H ARG 51 12.149 -4.555 6.807 387 HA ARG 51 HA ARG 51 9.577 -4.747 8.079 388 1HB ARG 51 1HB ARG 51 11.896 -2.878 8.606 389 2HB ARG 51 2HB ARG 51 10.481 -3.057 9.634 390 1HG ARG 51 1HG ARG 51 12.316 -5.344 8.986 391 2HG ARG 51 2HG ARG 51 12.560 -4.275 10.369 392 1HD ARG 51 1HD ARG 51 10.126 -4.845 10.972 393 2HD ARG 51 2HD ARG 51 10.305 -6.180 9.835 394 HE ARG 51 HE ARG 51 11.483 -7.284 11.438 395 1HH1 ARG 51 2HH1 ARG 51 11.674 -3.870 12.093 396 2HH1 ARG 51 1HH1 ARG 51 12.558 -4.071 13.570 397 1HH2 ARG 51 2HH2 ARG 51 12.646 -7.561 13.380 398 2HH2 ARG 51 1HH2 ARG 51 13.110 -6.171 14.301 399 H LYS 52 H LYS 52 11.378 -2.018 6.645 400 HA LYS 52 HA LYS 52 9.400 -0.112 6.698 401 1HB LYS 52 1HB LYS 52 11.843 0.070 5.903 402 2HB LYS 52 2HB LYS 52 11.229 -0.408 4.326 403 1HG LYS 52 1HG LYS 52 9.825 1.532 4.218 404 2HG LYS 52 2HG LYS 52 10.238 1.974 5.876 405 1HD LYS 52 1HD LYS 52 12.624 2.169 5.135 406 2HD LYS 52 2HD LYS 52 12.064 1.943 3.476 407 1HE LYS 52 1HE LYS 52 10.858 3.961 3.497 408 2HE LYS 52 2HE LYS 52 10.941 4.089 5.254 409 1HZ LYS 52 1HZ LYS 52 13.016 4.941 5.186 410 2HZ LYS 52 2HZ LYS 52 12.533 5.446 3.646 411 3HZ LYS 52 3HZ LYS 52 13.478 4.054 3.822 412 H ILE 53 H ILE 53 10.009 -2.489 4.124 413 HA ILE 53 HA ILE 53 8.046 -1.720 2.334 414 HB ILE 53 HB ILE 53 8.851 -4.567 2.938 415 1HG1 ILE 53 1HG1 ILE 53 10.080 -2.542 1.054 416 2HG1 ILE 53 2HG1 ILE 53 10.817 -3.173 2.522 417 1HG2 ILE 53 1HG2 ILE 53 6.812 -4.170 1.507 418 2HG2 ILE 53 2HG2 ILE 53 7.887 -3.413 0.334 419 3HG2 ILE 53 3HG2 ILE 53 8.102 -5.111 0.759 420 1HD1 ILE 53 1HD1 ILE 53 11.715 -4.811 1.349 421 2HD1 ILE 53 2HD1 ILE 53 10.106 -5.378 0.902 422 3HD1 ILE 53 3HD1 ILE 53 10.940 -4.202 -0.113 423 H GLN 54 H GLN 54 7.770 -3.802 5.179 424 HA GLN 54 HA GLN 54 5.090 -4.582 4.760 425 1HB GLN 54 1HB GLN 54 6.897 -4.518 7.154 426 2HB GLN 54 2HB GLN 54 5.197 -4.931 7.337 427 1HG GLN 54 1HG GLN 54 5.753 -6.609 5.382 428 2HG GLN 54 2HG GLN 54 7.388 -6.436 6.018 429 1HE2 GLN 54 1HE2 GLN 54 7.445 -8.568 6.714 430 2HE2 GLN 54 2HE2 GLN 54 6.556 -9.112 8.092 431 H CYS 55 H CYS 55 6.554 -1.813 6.350 432 HA CYS 55 HA CYS 55 4.200 -0.852 7.597 433 1HB CYS 55 1HB CYS 55 6.905 0.226 7.010 434 2HB CYS 55 2HB CYS 55 5.634 1.400 7.326 435 HG CYS 55 HG CYS 55 5.358 0.972 9.892 436 H TRP 56 H TRP 56 5.465 -0.608 4.376 437 HA TRP 56 HA TRP 56 3.835 1.615 3.585 438 1HB TRP 56 1HB TRP 56 5.987 1.051 2.475 439 2HB TRP 56 2HB TRP 56 5.249 -0.421 1.850 440 HD1 TRP 56 HD TRP 56 5.648 3.224 1.104 441 HE1 TRP 56 1HE TRP 56 4.356 3.824 -1.039 442 HE3 TRP 56 3HE TRP 56 2.964 -1.090 0.541 443 HZ2 TRP 56 2HZ TRP 56 2.450 2.627 -2.743 444 HZ3 TRP 56 3HZ TRP 56 1.428 -1.283 -1.372 445 HH2 TRP 56 HH TRP 56 1.178 0.539 -2.978 446 H PHE 57 H PHE 57 3.718 -1.894 3.017 447 HA PHE 57 HA PHE 57 1.401 -1.947 1.465 448 1HB PHE 57 1HB PHE 57 2.859 -3.922 3.146 449 2HB PHE 57 2HB PHE 57 1.214 -4.325 2.668 450 HD1 PHE 57 1HD PHE 57 4.648 -4.039 1.616 451 HD2 PHE 57 2HD PHE 57 0.638 -4.459 0.250 452 HE1 PHE 57 1HE PHE 57 5.477 -4.794 -0.574 453 HE2 PHE 57 2HE PHE 57 1.461 -5.215 -1.942 454 HZ PHE 57 HZ PHE 57 3.883 -5.384 -2.356 455 H ARG 58 H ARG 58 1.825 -1.916 4.959 456 HA ARG 58 HA ARG 58 -0.844 -2.470 5.667 457 1HB ARG 58 1HB ARG 58 0.814 -2.677 7.355 458 2HB ARG 58 2HB ARG 58 1.386 -1.034 7.097 459 1HG ARG 58 1HG ARG 58 -0.416 -0.094 8.213 460 2HG ARG 58 2HG ARG 58 -1.409 -1.542 8.029 461 1HD ARG 58 1HD ARG 58 -0.819 -1.749 10.226 462 2HD ARG 58 2HD ARG 58 0.513 -2.624 9.472 463 HE ARG 58 HE ARG 58 1.257 0.056 9.690 464 1HH1 ARG 58 2HH1 ARG 58 0.540 -2.653 11.755 465 2HH1 ARG 58 1HH1 ARG 58 1.584 -2.123 13.032 466 1HH2 ARG 58 2HH2 ARG 58 2.635 0.765 11.364 467 2HH2 ARG 58 1HH2 ARG 58 2.774 -0.178 12.809 468 H HIS 59 H HIS 59 0.869 0.586 5.120 469 HA HIS 59 HA HIS 59 -1.255 2.296 5.816 470 1HB HIS 59 1HB HIS 59 1.302 2.757 5.303 471 2HB HIS 59 2HB HIS 59 0.685 3.096 3.689 472 HD1 HIS 59 1HD HIS 59 1.935 5.220 5.702 473 HD2 HIS 59 2HD HIS 59 -2.106 4.616 4.952 474 HE1 HIS 59 1HE HIS 59 0.807 7.382 6.315 475 HE2 HIS 59 2HE HIS 59 -1.647 6.965 5.934 476 H ARG 60 H ARG 60 -0.262 0.927 2.700 477 HA ARG 60 HA ARG 60 -1.870 2.206 0.931 478 1HB ARG 60 1HB ARG 60 -0.348 0.439 0.251 479 2HB ARG 60 2HB ARG 60 -1.337 -0.765 1.065 480 1HG ARG 60 1HG ARG 60 -1.911 -1.003 -1.168 481 2HG ARG 60 2HG ARG 60 -3.210 -0.001 -0.516 482 1HD ARG 60 1HD ARG 60 -1.655 1.966 -1.270 483 2HD ARG 60 2HD ARG 60 -0.961 0.742 -2.332 484 HE ARG 60 HE ARG 60 -2.821 0.905 -3.641 485 1HH1 ARG 60 2HH1 ARG 60 -3.572 2.158 -0.481 486 2HH1 ARG 60 1HH1 ARG 60 -5.155 2.701 -0.929 487 1HH2 ARG 60 2HH2 ARG 60 -4.903 1.615 -4.243 488 2HH2 ARG 60 1HH2 ARG 60 -5.911 2.390 -3.070 489 H ARG 61 H ARG 61 -2.902 -0.855 2.448 490 HA ARG 61 HA ARG 61 -5.478 -1.003 1.724 491 1HB ARG 61 1HB ARG 61 -4.090 -1.671 4.268 492 2HB ARG 61 2HB ARG 61 -5.848 -1.717 4.272 493 1HG ARG 61 1HG ARG 61 -5.444 -3.137 2.073 494 2HG ARG 61 2HG ARG 61 -3.905 -3.460 2.873 495 1HD ARG 61 1HD ARG 61 -5.556 -5.164 3.431 496 2HD ARG 61 2HD ARG 61 -5.096 -4.237 4.858 497 HE ARG 61 HE ARG 61 -7.314 -2.963 3.944 498 1HH1 ARG 61 2HH1 ARG 61 -6.582 -6.263 4.776 499 2HH1 ARG 61 1HH1 ARG 61 -8.198 -6.632 5.279 500 1HH2 ARG 61 2HH2 ARG 61 -9.446 -3.437 4.603 501 2HH2 ARG 61 1HH2 ARG 61 -9.827 -5.024 5.179 502 H ASN 62 H ASN 62 -4.290 1.029 4.386 503 HA ASN 62 HA ASN 62 -6.826 2.094 5.065 504 1HB ASN 62 1HB ASN 62 -4.004 3.012 5.607 505 2HB ASN 62 2HB ASN 62 -5.409 3.897 6.193 506 1HD2 ASN 62 1HD2 ASN 62 -3.562 0.960 6.432 507 2HD2 ASN 62 2HD2 ASN 62 -4.249 0.413 7.920 508 H GLN 63 H GLN 63 -4.278 3.121 2.863 509 HA GLN 63 HA GLN 63 -5.297 5.684 2.286 510 1HB GLN 63 1HB GLN 63 -3.027 5.145 1.708 511 2HB GLN 63 2HB GLN 63 -3.551 3.823 0.673 512 1HG GLN 63 1HG GLN 63 -4.652 5.474 -0.803 513 2HG GLN 63 2HG GLN 63 -3.989 6.762 0.201 514 1HE2 GLN 63 1HE2 GLN 63 -3.050 7.418 -1.876 515 2HE2 GLN 63 2HE2 GLN 63 -1.539 6.728 -2.351 516 H ASP 64 H ASP 64 -6.139 2.509 1.154 517 HA ASP 64 HA ASP 64 -7.705 3.513 -1.071 518 1HB ASP 64 1HB ASP 64 -6.400 1.219 -0.829 519 2HB ASP 64 2HB ASP 64 -7.921 0.692 -0.115 520 H LYS 65 H LYS 65 -8.561 4.643 1.286 521 HA LYS 65 HA LYS 65 -10.456 3.559 2.853 522 1HB LYS 65 1HB LYS 65 -10.753 6.204 1.417 523 2HB LYS 65 2HB LYS 65 -11.611 5.728 2.877 524 1HG LYS 65 1HG LYS 65 -8.626 5.734 2.846 525 2HG LYS 65 2HG LYS 65 -9.514 7.247 3.038 526 1HD LYS 65 1HD LYS 65 -10.226 4.898 4.739 527 2HD LYS 65 2HD LYS 65 -8.797 5.856 5.136 528 1HE LYS 65 1HE LYS 65 -11.441 7.173 4.635 529 2HE LYS 65 2HE LYS 65 -11.067 6.476 6.211 530 1HZ LYS 65 1HZ LYS 65 -9.396 7.996 6.584 531 2HZ LYS 65 2HZ LYS 65 -10.532 8.943 5.763 532 3HZ LYS 65 3HZ LYS 65 -9.178 8.346 4.943 533 HA PRO 66 HA PRO 66 -13.679 1.907 0.354 534 1HB PRO 66 1HB PRO 66 -15.705 1.960 2.160 535 2HB PRO 66 2HB PRO 66 -14.375 0.799 2.243 536 1HG PRO 66 1HG PRO 66 -14.758 3.353 3.757 537 2HG PRO 66 2HG PRO 66 -14.190 1.779 4.344 538 1HD PRO 66 1HD PRO 66 -12.502 3.820 3.782 539 2HD PRO 66 2HD PRO 66 -12.050 2.118 3.559 540 H SER 67 H SER 67 -15.151 2.675 -1.057 541 HA SER 67 HA SER 67 -15.634 5.435 -1.279 542 1HB SER 67 1HB SER 67 -17.067 4.880 -3.139 543 2HB SER 67 2HB SER 67 -15.684 3.787 -3.170 544 HG SER 67 HG SER 67 -17.785 2.777 -3.473 545 H GLY 68 H GLY 68 -17.631 6.598 -1.138 546 1HA GLY 68 1HA GLY 68 -20.088 6.020 -0.380 547 2HA GLY 68 2HA GLY 68 -19.245 5.696 1.128 548 HA PRO 69 HA PRO 69 -18.969 10.456 0.142 549 1HB PRO 69 1HB PRO 69 -20.945 11.369 -1.481 550 2HB PRO 69 2HB PRO 69 -19.370 10.842 -2.087 551 1HG PRO 69 1HG PRO 69 -21.966 9.352 -2.013 552 2HG PRO 69 2HG PRO 69 -20.765 9.444 -3.315 553 1HD PRO 69 1HD PRO 69 -20.933 7.328 -1.634 554 2HD PRO 69 2HD PRO 69 -19.394 7.873 -2.332 555 H SER 70 H SER 70 -21.571 8.458 0.923 556 HA SER 70 HA SER 70 -23.128 10.605 2.156 557 1HB SER 70 1HB SER 70 -23.691 7.670 1.710 558 2HB SER 70 2HB SER 70 -24.742 8.712 2.668 559 HG SER 70 HG SER 70 -24.474 8.522 -0.041 560 H SER 71 H SER 71 -21.804 11.171 3.883 561 HA SER 71 HA SER 71 -21.962 9.372 6.157 562 1HB SER 71 1HB SER 71 -19.812 8.757 5.165 563 2HB SER 71 2HB SER 71 -19.311 10.448 5.164 564 HG SER 71 HG SER 71 -18.939 8.725 7.073 565 H GLY 72 H GLY 72 -21.302 10.461 8.194 566 1HA GLY 72 1HA GLY 72 -20.678 12.637 9.201 567 2HA GLY 72 2HA GLY 72 -21.718 13.381 7.995
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