NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632069 | 6e4h | 30493 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 4.763 -13.495 -6.404 2 H2 MET 1 2H MET 1 5.867 -13.917 -7.604 3 H3 MET 1 3H MET 1 4.284 -14.491 -7.681 4 HA MET 1 HA MET 1 3.441 -12.288 -7.993 5 HB2 MET 1 2HB MET 1 6.380 -11.452 -8.031 6 HB3 MET 1 3HB MET 1 5.021 -10.403 -8.420 7 HG2 MET 1 2HG MET 1 5.753 -9.895 -6.189 8 HG3 MET 1 3HG MET 1 4.189 -10.703 -6.076 9 HE1 MET 1 1HE MET 1 8.079 -11.023 -5.456 10 HE2 MET 1 2HE MET 1 7.822 -12.268 -6.680 11 HE3 MET 1 3HE MET 1 8.232 -12.724 -5.026 12 H GLU 2 H GLU 2 2.706 -13.280 -9.818 13 HA GLU 2 HA GLU 2 4.487 -13.557 -12.173 14 HB2 GLU 2 2HB GLU 2 1.737 -14.838 -11.743 15 HB3 GLU 2 3HB GLU 2 2.773 -15.065 -13.145 16 HG2 GLU 2 2HG GLU 2 3.024 -17.036 -11.863 17 HG3 GLU 2 3HG GLU 2 4.484 -16.097 -11.567 18 H GLU 3 H GLU 3 3.227 -13.152 -14.304 19 HA GLU 3 HA GLU 3 1.290 -10.951 -14.087 20 HB2 GLU 3 2HB GLU 3 3.497 -9.860 -14.152 21 HB3 GLU 3 3HB GLU 3 3.924 -10.738 -15.620 22 HG2 GLU 3 2HG GLU 3 2.438 -9.479 -16.961 23 HG3 GLU 3 3HG GLU 3 1.479 -8.960 -15.577 24 H LEU 4 H LEU 4 -0.357 -12.067 -14.986 25 HA LEU 4 HA LEU 4 0.051 -13.570 -17.510 26 HB2 LEU 4 2HB LEU 4 -2.251 -13.703 -15.516 27 HB3 LEU 4 3HB LEU 4 -2.063 -14.725 -16.934 28 HG LEU 4 HG LEU 4 -0.261 -14.733 -14.471 29 HD11 LEU 4 1HD1 LEU 4 -1.126 -16.975 -14.077 30 HD12 LEU 4 2HD1 LEU 4 -2.183 -16.842 -15.484 31 HD13 LEU 4 3HD1 LEU 4 -2.430 -15.790 -14.088 32 HD21 LEU 4 1HD2 LEU 4 1.084 -15.174 -16.470 33 HD22 LEU 4 2HD2 LEU 4 -0.036 -16.438 -16.977 34 HD23 LEU 4 3HD2 LEU 4 0.914 -16.636 -15.502 35 H SER 5 H SER 5 -0.345 -12.368 -19.239 36 HA SER 5 HA SER 5 -2.449 -10.302 -19.298 37 HB2 SER 5 2HB SER 5 -1.330 -9.748 -21.526 38 HB3 SER 5 3HB SER 5 -0.272 -9.593 -20.123 39 HG SER 5 HG SER 5 0.943 -10.783 -21.398 40 H GLY 6 H GLY 6 -3.156 -10.289 -21.960 41 HA2 GLY 6 2HA GLY 6 -4.356 -11.349 -23.645 42 HA3 GLY 6 3HA GLY 6 -4.151 -12.898 -22.831 43 H LYS 7 H LYS 7 -5.647 -13.541 -21.279 44 HA LYS 7 HA LYS 7 -8.196 -12.167 -21.139 45 HB2 LYS 7 2HB LYS 7 -9.006 -13.994 -19.796 46 HB3 LYS 7 3HB LYS 7 -8.036 -14.701 -21.071 47 HG2 LYS 7 2HG LYS 7 -6.982 -14.268 -18.259 48 HG3 LYS 7 3HG LYS 7 -7.818 -15.740 -18.754 49 HD2 LYS 7 2HD LYS 7 -6.054 -16.056 -20.540 50 HD3 LYS 7 3HD LYS 7 -5.189 -14.676 -19.864 51 HE2 LYS 7 2HE LYS 7 -4.869 -15.851 -17.765 52 HE3 LYS 7 3HE LYS 7 -5.872 -17.195 -18.321 53 HZ1 LYS 7 1HZ LYS 7 -3.248 -16.369 -19.430 54 HZ2 LYS 7 2HZ LYS 7 -4.218 -17.595 -20.070 55 HZ3 LYS 7 3HZ LYS 7 -3.568 -17.755 -18.519 56 HA PRO 8 HA PRO 8 -7.185 -9.752 -17.493 57 HB2 PRO 8 2HB PRO 8 -9.620 -9.105 -16.507 58 HB3 PRO 8 3HB PRO 8 -9.137 -8.572 -18.131 59 HG2 PRO 8 2HG PRO 8 -10.895 -10.887 -17.373 60 HG3 PRO 8 3HG PRO 8 -11.131 -9.674 -18.652 61 HD2 PRO 8 2HD PRO 8 -10.072 -12.181 -19.118 62 HD3 PRO 8 3HD PRO 8 -9.737 -10.764 -20.134 63 H LEU 9 H LEU 9 -8.026 -9.535 -15.079 64 HA LEU 9 HA LEU 9 -7.460 -11.938 -13.673 65 HB2 LEU 9 2HB LEU 9 -8.306 -10.493 -11.641 66 HB3 LEU 9 3HB LEU 9 -6.807 -10.091 -12.443 67 HG LEU 9 HG LEU 9 -7.990 -8.241 -13.680 68 HD11 LEU 9 1HD1 LEU 9 -10.176 -7.417 -12.882 69 HD12 LEU 9 2HD1 LEU 9 -10.348 -8.863 -11.883 70 HD13 LEU 9 3HD1 LEU 9 -10.297 -9.006 -13.638 71 HD21 LEU 9 1HD2 LEU 9 -8.082 -6.700 -11.776 72 HD22 LEU 9 2HD2 LEU 9 -6.684 -7.767 -11.681 73 HD23 LEU 9 3HD2 LEU 9 -8.093 -8.067 -10.658 74 H SER 10 H SER 10 -8.819 -13.319 -12.552 75 HA SER 10 HA SER 10 -11.554 -13.647 -13.377 76 HB2 SER 10 2HB SER 10 -10.003 -15.051 -11.144 77 HB3 SER 10 3HB SER 10 -11.515 -15.613 -11.866 78 HG SER 10 HG SER 10 -10.385 -16.499 -13.387 79 H TYR 11 H TYR 11 -13.229 -14.096 -11.492 80 HA TYR 11 HA TYR 11 -13.896 -11.731 -10.192 81 HB2 TYR 11 2HB TYR 11 -15.546 -13.528 -10.615 82 HB3 TYR 11 3HB TYR 11 -14.718 -14.589 -9.481 83 HD1 TYR 11 HD1 TYR 11 -16.904 -11.593 -9.769 84 HD2 TYR 11 HD2 TYR 11 -15.018 -14.310 -7.048 85 HE1 TYR 11 HE1 TYR 11 -18.268 -10.708 -7.920 86 HE2 TYR 11 HE2 TYR 11 -16.366 -13.415 -5.213 87 HH TYR 11 HH TYR 11 -19.027 -11.366 -5.683 88 H ALA 12 H ALA 12 -12.419 -14.672 -8.790 89 HA ALA 12 HA ALA 12 -12.064 -13.712 -6.160 90 HB1 ALA 12 1HB ALA 12 -10.658 -15.702 -5.836 91 HB2 ALA 12 2HB ALA 12 -10.594 -15.958 -7.582 92 HB3 ALA 12 3HB ALA 12 -12.128 -16.103 -6.721 93 H GLU 13 H GLU 13 -10.057 -13.455 -9.035 94 HA GLU 13 HA GLU 13 -7.661 -12.605 -7.715 95 HB2 GLU 13 2HB GLU 13 -8.487 -12.152 -10.605 96 HB3 GLU 13 3HB GLU 13 -6.860 -11.987 -9.959 97 HG2 GLU 13 2HG GLU 13 -8.463 -14.532 -10.268 98 HG3 GLU 13 3HG GLU 13 -7.027 -14.064 -11.173 99 H LYS 14 H LYS 14 -10.447 -10.973 -9.164 100 HA LYS 14 HA LYS 14 -9.548 -8.306 -8.797 101 HB2 LYS 14 2HB LYS 14 -11.312 -8.841 -10.390 102 HB3 LYS 14 3HB LYS 14 -12.354 -9.443 -9.116 103 HG2 LYS 14 2HG LYS 14 -11.445 -6.585 -8.895 104 HG3 LYS 14 3HG LYS 14 -12.608 -6.957 -10.163 105 HD2 LYS 14 2HD LYS 14 -13.037 -7.669 -7.220 106 HD3 LYS 14 3HD LYS 14 -13.633 -6.177 -7.966 107 HE2 LYS 14 2HE LYS 14 -14.900 -7.615 -9.621 108 HE3 LYS 14 3HE LYS 14 -14.429 -9.022 -8.664 109 HZ1 LYS 14 1HZ LYS 14 -16.025 -6.716 -7.698 110 HZ2 LYS 14 2HZ LYS 14 -15.586 -8.065 -6.779 111 HZ3 LYS 14 3HZ LYS 14 -16.629 -8.240 -8.095 112 H GLU 15 H GLU 15 -11.346 -10.592 -6.770 113 HA GLU 15 HA GLU 15 -12.136 -8.830 -4.715 114 HB2 GLU 15 2HB GLU 15 -11.509 -11.803 -4.575 115 HB3 GLU 15 3HB GLU 15 -12.301 -10.904 -3.294 116 HG2 GLU 15 2HG GLU 15 -13.370 -11.405 -6.061 117 HG3 GLU 15 3HG GLU 15 -13.893 -12.199 -4.583 118 H LYS 16 H LYS 16 -9.314 -11.019 -4.928 119 HA LYS 16 HA LYS 16 -8.098 -10.157 -2.521 120 HB2 LYS 16 2HB LYS 16 -6.131 -11.375 -3.166 121 HB3 LYS 16 3HB LYS 16 -7.534 -12.305 -3.673 122 HG2 LYS 16 2HG LYS 16 -7.232 -11.447 -5.993 123 HG3 LYS 16 3HG LYS 16 -5.769 -10.612 -5.471 124 HD2 LYS 16 2HD LYS 16 -5.225 -12.723 -6.604 125 HD3 LYS 16 3HD LYS 16 -4.729 -12.786 -4.912 126 HE2 LYS 16 2HE LYS 16 -6.624 -14.186 -4.346 127 HE3 LYS 16 3HE LYS 16 -7.335 -13.958 -5.946 128 HZ1 LYS 16 1HZ LYS 16 -6.228 -16.110 -5.689 129 HZ2 LYS 16 2HZ LYS 16 -4.754 -15.330 -5.423 130 HZ3 LYS 16 3HZ LYS 16 -5.532 -15.183 -6.920 131 H LEU 17 H LEU 17 -8.030 -8.847 -5.783 132 HA LEU 17 HA LEU 17 -5.788 -7.117 -5.387 133 HB2 LEU 17 2HB LEU 17 -7.184 -7.993 -7.610 134 HB3 LEU 17 3HB LEU 17 -7.736 -6.339 -7.503 135 HG LEU 17 HG LEU 17 -5.826 -6.488 -9.024 136 HD11 LEU 17 1HD1 LEU 17 -4.347 -4.791 -8.084 137 HD12 LEU 17 2HD1 LEU 17 -4.963 -5.106 -6.459 138 HD13 LEU 17 3HD1 LEU 17 -6.025 -4.418 -7.691 139 HD21 LEU 17 1HD2 LEU 17 -4.777 -8.530 -8.104 140 HD22 LEU 17 2HD2 LEU 17 -4.228 -7.622 -6.690 141 HD23 LEU 17 3HD2 LEU 17 -3.601 -7.230 -8.294 142 H LYS 18 H LYS 18 -9.346 -6.595 -5.185 143 HA LYS 18 HA LYS 18 -9.069 -3.755 -4.820 144 HB2 LYS 18 2HB LYS 18 -11.519 -3.761 -4.295 145 HB3 LYS 18 3HB LYS 18 -11.118 -4.529 -5.818 146 HG2 LYS 18 2HG LYS 18 -12.777 -5.922 -4.954 147 HG3 LYS 18 3HG LYS 18 -11.294 -6.767 -4.514 148 HD2 LYS 18 2HD LYS 18 -11.480 -5.776 -2.203 149 HD3 LYS 18 3HD LYS 18 -13.016 -5.049 -2.668 150 HE2 LYS 18 2HE LYS 18 -13.981 -7.276 -3.024 151 HE3 LYS 18 3HE LYS 18 -12.431 -8.026 -2.637 152 HZ1 LYS 18 1HZ LYS 18 -12.603 -7.061 -0.405 153 HZ2 LYS 18 2HZ LYS 18 -13.884 -8.106 -0.753 154 HZ3 LYS 18 3HZ LYS 18 -14.127 -6.435 -0.791 155 H GLU 19 H GLU 19 -9.309 -6.528 -2.628 156 HA GLU 19 HA GLU 19 -9.468 -4.933 -0.234 157 HB2 GLU 19 2HB GLU 19 -9.237 -6.979 1.012 158 HB3 GLU 19 3HB GLU 19 -10.320 -7.284 -0.341 159 HG2 GLU 19 2HG GLU 19 -8.463 -8.353 -1.578 160 HG3 GLU 19 3HG GLU 19 -7.398 -8.083 -0.199 161 H LYS 20 H LYS 20 -6.871 -6.333 -2.210 162 HA LYS 20 HA LYS 20 -4.645 -5.792 -0.610 163 HB2 LYS 20 2HB LYS 20 -4.057 -6.974 -2.527 164 HB3 LYS 20 3HB LYS 20 -5.126 -6.044 -3.560 165 HG2 LYS 20 2HG LYS 20 -3.528 -4.192 -3.639 166 HG3 LYS 20 3HG LYS 20 -2.463 -5.022 -2.496 167 HD2 LYS 20 2HD LYS 20 -3.178 -5.987 -5.289 168 HD3 LYS 20 3HD LYS 20 -1.659 -5.223 -4.821 169 HE2 LYS 20 2HE LYS 20 -2.688 -7.871 -3.749 170 HE3 LYS 20 3HE LYS 20 -1.430 -7.671 -4.970 171 HZ1 LYS 20 1HZ LYS 20 -0.504 -8.062 -2.788 172 HZ2 LYS 20 2HZ LYS 20 -1.282 -6.697 -2.176 173 HZ3 LYS 20 3HZ LYS 20 -0.077 -6.524 -3.344 174 H LEU 21 H LEU 21 -6.286 -3.692 -2.991 175 HA LEU 21 HA LEU 21 -4.611 -1.449 -2.754 176 HB2 LEU 21 2HB LEU 21 -7.539 -1.509 -3.571 177 HB3 LEU 21 3HB LEU 21 -6.420 -0.191 -3.884 178 HG LEU 21 HG LEU 21 -6.273 -2.981 -5.089 179 HD11 LEU 21 1HD1 LEU 21 -6.970 -0.334 -6.370 180 HD12 LEU 21 2HD1 LEU 21 -8.078 -1.667 -6.031 181 HD13 LEU 21 3HD1 LEU 21 -6.788 -1.878 -7.209 182 HD21 LEU 21 1HD2 LEU 21 -4.422 -2.158 -6.463 183 HD22 LEU 21 2HD2 LEU 21 -4.011 -2.098 -4.752 184 HD23 LEU 21 3HD2 LEU 21 -4.448 -0.615 -5.606 185 H ALA 22 H ALA 22 -7.671 -2.294 -1.146 186 HA ALA 22 HA ALA 22 -7.949 0.123 0.358 187 HB1 ALA 22 1HB ALA 22 -9.877 -1.298 -0.223 188 HB2 ALA 22 2HB ALA 22 -9.764 -1.066 1.521 189 HB3 ALA 22 3HB ALA 22 -9.247 -2.593 0.799 190 H PHE 23 H PHE 23 -6.427 -3.010 1.014 191 HA PHE 23 HA PHE 23 -6.088 -2.730 3.827 192 HB2 PHE 23 2HB PHE 23 -5.926 -4.952 2.888 193 HB3 PHE 23 3HB PHE 23 -4.677 -4.465 1.755 194 HD1 PHE 23 HD1 PHE 23 -5.205 -4.515 5.497 195 HD2 PHE 23 HD2 PHE 23 -2.506 -5.215 2.242 196 HE1 PHE 23 HE1 PHE 23 -3.482 -5.295 7.071 197 HE2 PHE 23 HE2 PHE 23 -0.800 -5.989 3.831 198 HZ PHE 23 HZ PHE 23 -1.286 -6.028 6.245 199 H LEU 24 H LEU 24 -3.785 -2.339 1.126 200 HA LEU 24 HA LEU 24 -1.702 -1.306 2.707 201 HB2 LEU 24 2HB LEU 24 -0.525 -0.855 0.659 202 HB3 LEU 24 3HB LEU 24 -1.292 -2.420 0.580 203 HG LEU 24 HG LEU 24 -3.136 -1.178 -0.854 204 HD11 LEU 24 1HD1 LEU 24 -2.395 1.119 -0.478 205 HD12 LEU 24 2HD1 LEU 24 -2.306 0.708 -2.181 206 HD13 LEU 24 3HD1 LEU 24 -0.834 0.761 -1.217 207 HD21 LEU 24 1HD2 LEU 24 -1.662 -2.916 -1.757 208 HD22 LEU 24 2HD2 LEU 24 -0.386 -1.726 -2.021 209 HD23 LEU 24 3HD2 LEU 24 -1.896 -1.619 -2.929 210 H LYS 25 H LYS 25 -4.424 0.214 1.109 211 HA LYS 25 HA LYS 25 -3.606 2.928 1.196 212 HB2 LYS 25 2HB LYS 25 -5.460 2.153 -0.191 213 HB3 LYS 25 3HB LYS 25 -6.373 1.654 1.229 214 HG2 LYS 25 2HG LYS 25 -6.596 4.026 1.910 215 HG3 LYS 25 3HG LYS 25 -5.685 4.525 0.484 216 HD2 LYS 25 2HD LYS 25 -8.352 3.058 0.453 217 HD3 LYS 25 3HD LYS 25 -8.132 4.783 0.171 218 HE2 LYS 25 2HE LYS 25 -6.995 2.567 -1.578 219 HE3 LYS 25 3HE LYS 25 -8.416 3.548 -1.946 220 HZ1 LYS 25 1HZ LYS 25 -6.567 4.451 -3.088 221 HZ2 LYS 25 2HZ LYS 25 -5.620 4.488 -1.695 222 HZ3 LYS 25 3HZ LYS 25 -6.950 5.522 -1.839 223 H LYS 26 H LYS 26 -5.647 1.039 3.477 224 HA LYS 26 HA LYS 26 -6.159 3.232 5.218 225 HB2 LYS 26 2HB LYS 26 -7.229 1.619 6.706 226 HB3 LYS 26 3HB LYS 26 -7.710 1.328 5.041 227 HG2 LYS 26 2HG LYS 26 -6.017 -0.558 4.969 228 HG3 LYS 26 3HG LYS 26 -5.777 -0.321 6.703 229 HD2 LYS 26 2HD LYS 26 -8.202 -0.794 7.082 230 HD3 LYS 26 3HD LYS 26 -8.400 -1.071 5.346 231 HE2 LYS 26 2HE LYS 26 -8.197 -3.213 6.539 232 HE3 LYS 26 3HE LYS 26 -6.809 -2.971 5.477 233 HZ1 LYS 26 1HZ LYS 26 -5.515 -2.263 7.406 234 HZ2 LYS 26 2HZ LYS 26 -6.149 -3.813 7.644 235 HZ3 LYS 26 3HZ LYS 26 -6.857 -2.488 8.412 236 H GLU 27 H GLU 27 -3.790 0.566 5.261 237 HA GLU 27 HA GLU 27 -2.712 1.204 7.821 238 HB2 GLU 27 2HB GLU 27 -0.959 -0.361 7.381 239 HB3 GLU 27 3HB GLU 27 -2.436 -1.044 6.716 240 HG2 GLU 27 2HG GLU 27 -1.748 -0.559 4.463 241 HG3 GLU 27 3HG GLU 27 -0.382 0.408 5.015 242 H TYR 28 H TYR 28 -1.923 2.137 4.463 243 HA TYR 28 HA TYR 28 0.507 3.462 4.798 244 HB2 TYR 28 2HB TYR 28 -0.436 3.009 2.583 245 HB3 TYR 28 3HB TYR 28 -1.787 4.087 2.886 246 HD1 TYR 28 HD1 TYR 28 1.930 4.024 2.387 247 HD2 TYR 28 HD2 TYR 28 -1.614 6.411 2.279 248 HE1 TYR 28 HE1 TYR 28 3.184 5.826 1.291 249 HE2 TYR 28 HE2 TYR 28 -0.362 8.210 1.179 250 HH TYR 28 HH TYR 28 1.982 8.973 0.993 251 H SER 29 H SER 29 -2.791 4.785 4.949 252 HA SER 29 HA SER 29 -2.182 7.442 5.556 253 HB2 SER 29 2HB SER 29 -4.406 6.720 4.821 254 HB3 SER 29 3HB SER 29 -4.624 5.757 6.283 255 HG SER 29 HG SER 29 -5.257 7.490 7.275 256 H ARG 30 H ARG 30 -2.941 4.721 7.769 257 HA ARG 30 HA ARG 30 -2.776 6.174 10.198 258 HB2 ARG 30 2HB ARG 30 -3.924 3.985 9.918 259 HB3 ARG 30 3HB ARG 30 -2.372 3.191 9.690 260 HG2 ARG 30 2HG ARG 30 -1.729 3.771 12.007 261 HG3 ARG 30 3HG ARG 30 -3.272 4.603 12.226 262 HD2 ARG 30 2HD ARG 30 -4.459 2.445 11.815 263 HD3 ARG 30 3HD ARG 30 -2.892 1.630 11.715 264 HE ARG 30 HE ARG 30 -2.687 2.753 14.115 265 HH11 ARG 30 1HH1 ARG 30 -5.407 1.003 12.757 266 HH12 ARG 30 2HH1 ARG 30 -5.964 0.435 14.295 267 HH21 ARG 30 1HH2 ARG 30 -3.450 2.037 16.138 268 HH22 ARG 30 2HH2 ARG 30 -4.853 1.024 16.208 269 H THR 31 H THR 31 -0.342 4.147 8.577 270 HA THR 31 HA THR 31 1.526 4.329 10.747 271 HB THR 31 HB THR 31 1.156 2.231 9.355 272 HG1 THR 31 HG1 THR 31 3.067 1.656 10.039 273 HG21 THR 31 1HG2 THR 31 2.431 1.954 7.280 274 HG22 THR 31 2HG2 THR 31 2.970 3.633 7.352 275 HG23 THR 31 3HG2 THR 31 1.265 3.263 7.088 276 H LEU 32 H LEU 32 1.184 5.826 7.556 277 HA LEU 32 HA LEU 32 3.683 7.211 7.574 278 HB2 LEU 32 2HB LEU 32 2.380 6.891 5.514 279 HB3 LEU 32 3HB LEU 32 1.087 7.887 6.141 280 HG LEU 32 HG LEU 32 3.823 9.148 5.808 281 HD11 LEU 32 1HD1 LEU 32 3.504 7.988 3.676 282 HD12 LEU 32 2HD1 LEU 32 3.373 9.734 3.472 283 HD13 LEU 32 3HD1 LEU 32 1.916 8.737 3.495 284 HD21 LEU 32 1HD2 LEU 32 1.026 10.256 5.413 285 HD22 LEU 32 2HD2 LEU 32 2.524 11.182 5.291 286 HD23 LEU 32 3HD2 LEU 32 2.036 10.495 6.839 287 H ALA 33 H ALA 33 0.400 7.944 8.751 288 HA ALA 33 HA ALA 33 0.673 10.579 9.569 289 HB1 ALA 33 1HB ALA 33 -0.884 8.381 10.991 290 HB2 ALA 33 2HB ALA 33 -1.457 9.322 9.608 291 HB3 ALA 33 3HB ALA 33 -1.161 10.125 11.150 292 H ARG 34 H ARG 34 1.283 7.645 11.500 293 HA ARG 34 HA ARG 34 2.241 8.996 13.800 294 HB2 ARG 34 2HB ARG 34 2.786 6.820 14.691 295 HB3 ARG 34 3HB ARG 34 1.243 6.725 13.850 296 HG2 ARG 34 2HG ARG 34 2.426 5.726 11.880 297 HG3 ARG 34 3HG ARG 34 3.915 5.710 12.824 298 HD2 ARG 34 2HD ARG 34 1.349 4.234 13.460 299 HD3 ARG 34 3HD ARG 34 2.851 3.514 12.862 300 HE ARG 34 HE ARG 34 3.889 4.344 15.012 301 HH11 ARG 34 1HH1 ARG 34 0.475 3.654 14.853 302 HH12 ARG 34 2HH1 ARG 34 0.343 3.316 16.543 303 HH21 ARG 34 1HH2 ARG 34 3.697 3.887 17.272 304 HH22 ARG 34 2HH2 ARG 34 2.145 3.438 17.914 305 H LEU 35 H LEU 35 3.863 7.657 10.939 306 HA LEU 35 HA LEU 35 6.540 7.786 11.782 307 HB2 LEU 35 2HB LEU 35 5.385 6.893 9.523 308 HB3 LEU 35 3HB LEU 35 5.829 8.472 8.922 309 HG LEU 35 HG LEU 35 7.738 6.311 9.926 310 HD11 LEU 35 1HD1 LEU 35 6.842 5.816 7.725 311 HD12 LEU 35 2HD1 LEU 35 8.551 6.222 7.616 312 HD13 LEU 35 3HD1 LEU 35 7.333 7.406 7.132 313 HD21 LEU 35 1HD2 LEU 35 8.686 8.486 10.519 314 HD22 LEU 35 2HD2 LEU 35 8.484 9.053 8.862 315 HD23 LEU 35 3HD2 LEU 35 9.614 7.740 9.216 316 H GLN 36 H GLN 36 4.406 10.227 10.278 317 HA GLN 36 HA GLN 36 6.333 12.312 10.101 318 HB2 GLN 36 2HB GLN 36 3.296 12.575 10.219 319 HB3 GLN 36 3HB GLN 36 4.418 13.837 9.720 320 HG2 GLN 36 2HG GLN 36 3.829 11.245 8.281 321 HG3 GLN 36 3HG GLN 36 3.398 12.867 7.762 322 HE21 GLN 36 1HE2 GLN 36 4.925 10.782 6.376 323 HE22 GLN 36 2HE2 GLN 36 6.448 11.488 5.973 324 H ARG 37 H ARG 37 3.910 11.429 12.553 325 HA ARG 37 HA ARG 37 4.261 13.690 14.235 326 HB2 ARG 37 2HB ARG 37 3.259 10.892 14.929 327 HB3 ARG 37 3HB ARG 37 3.147 12.284 16.000 328 HG2 ARG 37 2HG ARG 37 1.764 11.949 13.326 329 HG3 ARG 37 3HG ARG 37 1.005 11.921 14.918 330 HD2 ARG 37 2HD ARG 37 1.686 14.308 15.239 331 HD3 ARG 37 3HD ARG 37 2.363 14.305 13.608 332 HE ARG 37 HE ARG 37 -0.397 13.534 13.693 333 HH11 ARG 37 1HH1 ARG 37 1.760 16.314 13.564 334 HH12 ARG 37 2HH1 ARG 37 0.567 17.356 12.860 335 HH21 ARG 37 1HH2 ARG 37 -1.948 14.907 12.784 336 HH22 ARG 37 2HH2 ARG 37 -1.549 16.554 12.415 337 H ALA 38 H ALA 38 6.038 10.709 13.915 338 HA ALA 38 HA ALA 38 7.609 10.958 16.307 339 HB1 ALA 38 1HB ALA 38 8.930 9.104 15.362 340 HB2 ALA 38 2HB ALA 38 8.095 9.283 13.816 341 HB3 ALA 38 3HB ALA 38 7.200 8.770 15.247 342 H LYS 39 H LYS 39 8.357 11.430 12.827 343 HA LYS 39 HA LYS 39 11.055 12.241 13.370 344 HB2 LYS 39 2HB LYS 39 11.318 12.378 10.947 345 HB3 LYS 39 3HB LYS 39 10.486 10.893 11.388 346 HG2 LYS 39 2HG LYS 39 8.322 11.886 10.705 347 HG3 LYS 39 3HG LYS 39 9.134 13.393 10.286 348 HD2 LYS 39 2HD LYS 39 9.579 10.699 8.938 349 HD3 LYS 39 3HD LYS 39 8.646 12.043 8.280 350 HE2 LYS 39 2HE LYS 39 10.733 13.435 8.287 351 HE3 LYS 39 3HE LYS 39 11.638 12.017 8.822 352 HZ1 LYS 39 1HZ LYS 39 11.826 12.284 6.458 353 HZ2 LYS 39 2HZ LYS 39 10.149 12.280 6.271 354 HZ3 LYS 39 3HZ LYS 39 10.942 10.885 6.792 355 H ARG 40 H ARG 40 8.117 13.990 12.353 356 HA ARG 40 HA ARG 40 9.484 16.427 11.663 357 HB2 ARG 40 2HB ARG 40 6.525 15.812 12.066 358 HB3 ARG 40 3HB ARG 40 7.118 17.382 11.540 359 HG2 ARG 40 2HG ARG 40 7.775 14.875 9.974 360 HG3 ARG 40 3HG ARG 40 6.239 15.710 9.756 361 HD2 ARG 40 2HD ARG 40 7.837 16.416 8.046 362 HD3 ARG 40 3HD ARG 40 7.447 17.768 9.113 363 HE ARG 40 HE ARG 40 9.904 16.178 9.524 364 HH11 ARG 40 1HH1 ARG 40 8.445 19.308 8.828 365 HH12 ARG 40 2HH1 ARG 40 9.932 20.174 9.004 366 HH21 ARG 40 1HH2 ARG 40 11.846 17.335 9.747 367 HH22 ARG 40 2HH2 ARG 40 11.863 19.054 9.525 368 H ALA 41 H ALA 41 7.510 15.360 14.417 369 HA ALA 41 HA ALA 41 7.489 17.864 15.782 370 HB1 ALA 41 1HB ALA 41 5.704 16.211 16.081 371 HB2 ALA 41 2HB ALA 41 6.467 16.598 17.626 372 HB3 ALA 41 3HB ALA 41 6.855 15.085 16.802 373 H GLU 42 H GLU 42 9.346 14.826 16.112 374 HA GLU 42 HA GLU 42 11.231 14.213 17.214 375 HB2 GLU 42 2HB GLU 42 11.840 17.196 17.237 376 HB3 GLU 42 3HB GLU 42 13.006 15.932 17.608 377 HG2 GLU 42 2HG GLU 42 12.940 15.111 15.332 378 HG3 GLU 42 3HG GLU 42 11.606 16.187 14.931 379 H LYS 43 H LYS 43 8.764 15.007 18.683 380 HA LYS 43 HA LYS 43 9.163 16.272 21.134 381 HB2 LYS 43 2HB LYS 43 7.074 15.274 21.871 382 HB3 LYS 43 3HB LYS 43 6.911 15.662 20.168 383 HG2 LYS 43 2HG LYS 43 7.564 12.875 21.176 384 HG3 LYS 43 3HG LYS 43 5.917 13.433 20.894 385 HD2 LYS 43 2HD LYS 43 6.385 13.730 18.505 386 HD3 LYS 43 3HD LYS 43 8.087 13.326 18.755 387 HE2 LYS 43 2HE LYS 43 6.713 11.458 17.793 388 HE3 LYS 43 3HE LYS 43 7.527 11.041 19.303 389 HZ1 LYS 43 1HZ LYS 43 5.147 10.329 19.083 390 HZ2 LYS 43 2HZ LYS 43 4.713 11.958 19.207 391 HZ3 LYS 43 3HZ LYS 43 5.519 11.198 20.480 392 H ALA 44 H ALA 44 10.031 13.064 20.155 393 HA ALA 44 HA ALA 44 11.634 12.581 22.503 394 HB1 ALA 44 1HB ALA 44 10.541 10.411 23.045 395 HB2 ALA 44 2HB ALA 44 9.266 10.757 21.873 396 HB3 ALA 44 3HB ALA 44 9.447 11.769 23.306 397 H LYS 45 H LYS 45 13.317 12.494 21.080 398 HA LYS 45 HA LYS 45 13.410 10.353 19.027 399 HB2 LYS 45 2HB LYS 45 15.619 11.377 18.442 400 HB3 LYS 45 3HB LYS 45 14.270 12.496 18.304 401 HG2 LYS 45 2HG LYS 45 14.906 13.453 20.551 402 HG3 LYS 45 3HG LYS 45 16.330 12.406 20.540 403 HD2 LYS 45 2HD LYS 45 16.859 14.719 19.793 404 HD3 LYS 45 3HD LYS 45 17.181 13.530 18.529 405 HE2 LYS 45 2HE LYS 45 15.036 14.119 17.440 406 HE3 LYS 45 3HE LYS 45 14.716 15.303 18.708 407 HZ1 LYS 45 1HZ LYS 45 16.619 16.551 18.012 408 HZ2 LYS 45 2HZ LYS 45 15.631 16.270 16.669 409 HZ3 LYS 45 3HZ LYS 45 17.045 15.373 16.879 410 H ASN 46 H ASN 46 13.906 10.625 22.278 411 HA ASN 46 HA ASN 46 15.200 9.866 23.906 412 HB2 ASN 46 2HB ASN 46 14.658 7.601 22.983 413 HB3 ASN 46 3HB ASN 46 16.111 7.674 21.994 414 HD21 ASN 46 1HD2 ASN 46 15.800 8.767 25.370 415 HD22 ASN 46 2HD2 ASN 46 16.903 7.603 26.007 416 H SER 47 H SER 47 16.408 11.665 24.016 417 HA SER 47 HA SER 47 18.525 12.390 22.272 418 HB2 SER 47 2HB SER 47 17.767 13.438 25.028 419 HB3 SER 47 3HB SER 47 18.889 14.231 23.919 420 HG SER 47 HG SER 47 17.230 14.511 22.455 421 H LYS 48 H LYS 48 20.691 13.186 23.452 422 HA LYS 48 HA LYS 48 22.306 10.932 23.719 423 HB2 LYS 48 2HB LYS 48 23.205 13.095 23.033 424 HB3 LYS 48 3HB LYS 48 22.831 13.800 24.602 425 HG2 LYS 48 2HG LYS 48 24.536 12.389 25.679 426 HG3 LYS 48 3HG LYS 48 24.857 11.568 24.149 427 HD2 LYS 48 2HD LYS 48 26.594 13.241 24.649 428 HD3 LYS 48 3HD LYS 48 25.706 13.666 23.184 429 HE2 LYS 48 2HE LYS 48 26.097 15.665 24.553 430 HE3 LYS 48 3HE LYS 48 24.370 15.312 24.501 431 HZ1 LYS 48 1HZ LYS 48 25.027 15.875 26.721 432 HZ2 LYS 48 2HZ LYS 48 26.244 14.701 26.720 433 HZ3 LYS 48 3HZ LYS 48 24.623 14.235 26.683 434 H LYS 49 H LYS 49 23.027 9.732 25.419 435 HA LYS 49 HA LYS 49 22.134 10.324 28.170 436 HB2 LYS 49 2HB LYS 49 21.182 7.997 28.323 437 HB3 LYS 49 3HB LYS 49 20.297 9.040 27.214 438 HG2 LYS 49 2HG LYS 49 21.193 7.939 25.286 439 HG3 LYS 49 3HG LYS 49 22.424 7.102 26.228 440 HD2 LYS 49 2HD LYS 49 19.435 6.602 26.486 441 HD3 LYS 49 3HD LYS 49 20.527 5.622 25.506 442 HE2 LYS 49 2HE LYS 49 21.807 5.009 27.521 443 HE3 LYS 49 3HE LYS 49 20.755 6.026 28.508 444 HZ1 LYS 49 1HZ LYS 49 20.127 3.731 28.658 445 HZ2 LYS 49 2HZ LYS 49 19.927 3.628 26.983 446 HZ3 LYS 49 3HZ LYS 49 18.902 4.613 27.896 447 H ALA 50 H ALA 50 23.030 8.837 29.740 448 HA ALA 50 HA ALA 50 25.718 7.897 29.176 449 HB1 ALA 50 1HB ALA 50 25.254 9.060 31.297 450 HB2 ALA 50 2HB ALA 50 25.769 7.399 31.600 451 HB3 ALA 50 3HB ALA 50 24.062 7.829 31.719 452 H ILE 51 H ILE 51 26.314 5.692 29.279 453 HA ILE 51 HA ILE 51 24.395 3.817 28.267 454 HB ILE 51 HB ILE 51 26.335 2.164 28.319 455 HG12 ILE 51 2HG1 ILE 51 28.678 3.440 28.634 456 HG13 ILE 51 3HG1 ILE 51 27.741 4.510 29.668 457 HG21 ILE 51 1HG2 ILE 51 27.583 3.279 26.498 458 HG22 ILE 51 2HG2 ILE 51 26.844 4.820 26.934 459 HG23 ILE 51 3HG2 ILE 51 25.838 3.504 26.327 460 HD11 ILE 51 1HD1 ILE 51 28.072 1.542 30.065 461 HD12 ILE 51 2HD1 ILE 51 27.213 2.652 31.137 462 HD13 ILE 51 3HD1 ILE 51 28.956 2.807 30.917 463 H GLU 52 H GLU 52 24.964 4.747 31.395 464 HA GLU 52 HA GLU 52 24.954 2.245 32.787 465 HB2 GLU 52 2HB GLU 52 24.479 5.066 33.814 466 HB3 GLU 52 3HB GLU 52 24.763 3.648 34.824 467 HG2 GLU 52 2HG GLU 52 27.011 3.393 33.756 468 HG3 GLU 52 3HG GLU 52 26.720 4.887 32.865 469 H ASP 53 H ASP 53 23.062 1.397 31.682 470 HA ASP 53 HA ASP 53 20.624 1.738 33.331 471 HB2 ASP 53 2HB ASP 53 20.720 1.528 30.269 472 HB3 ASP 53 3HB ASP 53 19.257 1.221 31.200 473 H GLY 54 H GLY 54 22.921 -0.045 33.427 474 HA2 GLY 54 2HA GLY 54 23.428 -2.265 33.675 475 HA3 GLY 54 3HA GLY 54 21.751 -2.661 33.311 476 H VAL 55 H VAL 55 24.448 -1.112 31.566 477 HA VAL 55 HA VAL 55 23.741 -2.014 28.993 478 HB VAL 55 HB VAL 55 25.157 -0.047 29.283 479 HG11 VAL 55 1HG1 VAL 55 26.400 -0.700 31.291 480 HG12 VAL 55 2HG1 VAL 55 27.504 -0.162 30.025 481 HG13 VAL 55 3HG1 VAL 55 27.316 -1.884 30.359 482 HG21 VAL 55 1HG2 VAL 55 25.394 -1.218 27.135 483 HG22 VAL 55 2HG2 VAL 55 26.692 -2.211 27.800 484 HG23 VAL 55 3HG2 VAL 55 26.927 -0.473 27.603 485 HA PRO 56 HA PRO 56 25.422 -6.242 29.260 486 HB2 PRO 56 2HB PRO 56 24.783 -7.115 26.776 487 HB3 PRO 56 3HB PRO 56 23.522 -6.812 27.988 488 HG2 PRO 56 2HG PRO 56 24.399 -5.031 25.729 489 HG3 PRO 56 3HG PRO 56 22.749 -5.452 26.248 490 HD2 PRO 56 2HD PRO 56 23.980 -3.115 26.992 491 HD3 PRO 56 3HD PRO 56 22.758 -3.920 27.999 492 H GLN 57 H GLN 57 27.321 -7.246 28.666 493 HA GLN 57 HA GLN 57 29.407 -5.653 27.545 494 HB2 GLN 57 2HB GLN 57 30.836 -7.642 27.979 495 HB3 GLN 57 3HB GLN 57 29.890 -7.157 29.379 496 HG2 GLN 57 2HG GLN 57 28.236 -9.004 28.745 497 HG3 GLN 57 3HG GLN 57 29.446 -9.562 27.591 498 HE21 GLN 57 1HE2 GLN 57 28.671 -9.176 30.962 499 HE22 GLN 57 2HE2 GLN 57 29.891 -10.226 31.570 500 HA PRO 58 HA PRO 58 28.397 -6.605 23.281 501 HB2 PRO 58 2HB PRO 58 30.775 -5.751 22.065 502 HB3 PRO 58 3HB PRO 58 29.460 -4.680 22.585 503 HG2 PRO 58 2HG PRO 58 32.018 -5.316 24.003 504 HG3 PRO 58 3HG PRO 58 31.177 -3.757 23.842 505 HD2 PRO 58 2HD PRO 58 31.025 -5.212 26.116 506 HD3 PRO 58 3HD PRO 58 29.646 -4.247 25.542 507 H GLU 59 H GLU 59 31.792 -7.527 24.109 508 HA GLU 59 HA GLU 59 31.206 -10.316 23.544 509 HB2 GLU 59 2HB GLU 59 31.835 -9.201 21.300 510 HB3 GLU 59 3HB GLU 59 33.467 -9.048 21.942 511 HG2 GLU 59 2HG GLU 59 33.654 -11.489 22.139 512 HG3 GLU 59 3HG GLU 59 31.975 -11.681 21.634 513 H ALA 60 H ALA 60 31.911 -8.784 25.877 514 HA ALA 60 HA ALA 60 34.699 -9.192 26.498 515 HB1 ALA 60 1HB ALA 60 34.195 -8.158 28.640 516 HB2 ALA 60 2HB ALA 60 32.463 -8.282 28.319 517 HB3 ALA 60 3HB ALA 60 33.468 -7.229 27.325 518 H LEU 61 H LEU 61 32.205 -11.388 26.390 519 HA LEU 61 HA LEU 61 32.608 -12.996 28.663 520 HB2 LEU 61 2HB LEU 61 31.796 -13.735 25.820 521 HB3 LEU 61 3HB LEU 61 31.858 -14.914 27.120 522 HG LEU 61 HG LEU 61 30.002 -12.499 26.988 523 HD11 LEU 61 1HD1 LEU 61 28.203 -14.151 26.812 524 HD12 LEU 61 2HD1 LEU 61 29.377 -15.469 26.840 525 HD13 LEU 61 3HD1 LEU 61 29.349 -14.339 25.484 526 HD21 LEU 61 1HD2 LEU 61 28.990 -13.396 29.071 527 HD22 LEU 61 2HD2 LEU 61 30.650 -12.860 29.305 528 HD23 LEU 61 3HD2 LEU 61 30.293 -14.585 29.181 529 H GLU 62 H GLU 62 34.438 -12.691 25.648 530 HA GLU 62 HA GLU 62 36.818 -13.739 26.814 531 HB2 GLU 62 2HB GLU 62 35.567 -15.864 26.278 532 HB3 GLU 62 3HB GLU 62 35.606 -15.417 24.576 533 HG2 GLU 62 2HG GLU 62 37.998 -15.647 24.476 534 HG3 GLU 62 3HG GLU 62 38.124 -15.777 26.231 535 H1 MET 1 1H MET 1 3.022 -8.669 16.120 536 H2 MET 1 2H MET 1 4.053 -7.873 17.197 537 H3 MET 1 3H MET 1 4.631 -8.392 15.697 538 HA MET 1 HA MET 1 4.309 -6.054 15.658 539 HB2 MET 1 2HB MET 1 3.913 -7.249 13.556 540 HB3 MET 1 3HB MET 1 2.255 -7.617 14.026 541 HG2 MET 1 2HG MET 1 2.348 -5.802 12.350 542 HG3 MET 1 3HG MET 1 1.669 -5.233 13.872 543 HE1 MET 1 1HE MET 1 4.729 -5.107 11.417 544 HE2 MET 1 2HE MET 1 5.514 -5.790 12.844 545 HE3 MET 1 3HE MET 1 5.900 -4.150 12.326 546 H GLU 2 H GLU 2 3.646 -5.326 17.702 547 HA GLU 2 HA GLU 2 0.745 -5.061 18.245 548 HB2 GLU 2 2HB GLU 2 3.138 -4.653 20.119 549 HB3 GLU 2 3HB GLU 2 1.449 -4.446 20.568 550 HG2 GLU 2 2HG GLU 2 2.175 -6.555 21.446 551 HG3 GLU 2 3HG GLU 2 1.083 -6.891 20.105 552 H GLU 3 H GLU 3 -0.133 -3.117 17.784 553 HA GLU 3 HA GLU 3 1.390 -0.772 17.170 554 HB2 GLU 3 2HB GLU 3 -0.969 -1.410 16.274 555 HB3 GLU 3 3HB GLU 3 -1.604 -0.835 17.802 556 HG2 GLU 3 2HG GLU 3 0.051 0.918 15.955 557 HG3 GLU 3 3HG GLU 3 -1.693 0.772 15.803 558 H LEU 4 H LEU 4 2.611 -0.092 18.850 559 HA LEU 4 HA LEU 4 1.390 0.390 21.515 560 HB2 LEU 4 2HB LEU 4 4.330 0.129 20.737 561 HB3 LEU 4 3HB LEU 4 3.726 0.404 22.365 562 HG LEU 4 HG LEU 4 3.240 -2.104 20.706 563 HD11 LEU 4 1HD1 LEU 4 5.005 -1.713 23.131 564 HD12 LEU 4 2HD1 LEU 4 5.551 -1.931 21.467 565 HD13 LEU 4 3HD1 LEU 4 4.702 -3.235 22.289 566 HD21 LEU 4 1HD2 LEU 4 1.333 -1.691 22.159 567 HD22 LEU 4 2HD2 LEU 4 2.391 -1.488 23.556 568 HD23 LEU 4 3HD2 LEU 4 2.262 -3.061 22.762 569 H SER 5 H SER 5 0.675 2.413 21.641 570 HA SER 5 HA SER 5 1.916 4.642 20.215 571 HB2 SER 5 2HB SER 5 -0.470 4.663 22.125 572 HB3 SER 5 3HB SER 5 -0.008 5.935 20.993 573 HG SER 5 HG SER 5 -0.438 3.407 19.938 574 H GLY 6 H GLY 6 3.867 5.125 21.223 575 HA2 GLY 6 2HA GLY 6 3.915 6.600 23.625 576 HA3 GLY 6 3HA GLY 6 4.403 4.949 23.989 577 H LYS 7 H LYS 7 6.396 4.176 23.251 578 HA LYS 7 HA LYS 7 8.482 6.046 23.113 579 HB2 LYS 7 2HB LYS 7 9.943 4.236 23.204 580 HB3 LYS 7 3HB LYS 7 8.490 3.438 23.769 581 HG2 LYS 7 2HG LYS 7 9.525 3.314 20.915 582 HG3 LYS 7 3HG LYS 7 9.855 2.100 22.148 583 HD2 LYS 7 2HD LYS 7 7.563 1.400 22.229 584 HD3 LYS 7 3HD LYS 7 7.018 2.816 21.320 585 HE2 LYS 7 2HE LYS 7 7.046 0.716 19.959 586 HE3 LYS 7 3HE LYS 7 8.078 1.983 19.296 587 HZ1 LYS 7 1HZ LYS 7 9.100 -0.237 19.280 588 HZ2 LYS 7 2HZ LYS 7 9.058 -0.267 20.969 589 HZ3 LYS 7 3HZ LYS 7 10.001 0.883 20.166 590 HA PRO 8 HA PRO 8 8.632 7.063 18.738 591 HB2 PRO 8 2HB PRO 8 11.290 7.626 18.353 592 HB3 PRO 8 3HB PRO 8 10.231 8.692 19.294 593 HG2 PRO 8 2HG PRO 8 12.139 6.595 20.318 594 HG3 PRO 8 3HG PRO 8 11.921 8.278 20.864 595 HD2 PRO 8 2HD PRO 8 10.759 6.218 22.179 596 HD3 PRO 8 3HD PRO 8 9.947 7.792 22.029 597 H LEU 9 H LEU 9 9.160 6.125 16.728 598 HA LEU 9 HA LEU 9 9.964 3.405 16.642 599 HB2 LEU 9 2HB LEU 9 10.098 3.828 14.089 600 HB3 LEU 9 3HB LEU 9 8.546 3.968 14.877 601 HG LEU 9 HG LEU 9 8.886 6.523 14.859 602 HD11 LEU 9 1HD1 LEU 9 10.388 7.475 13.158 603 HD12 LEU 9 2HD1 LEU 9 11.078 5.875 12.875 604 HD13 LEU 9 3HD1 LEU 9 11.279 6.656 14.440 605 HD21 LEU 9 1HD2 LEU 9 8.611 5.116 12.194 606 HD22 LEU 9 2HD2 LEU 9 8.101 6.767 12.552 607 HD23 LEU 9 3HD2 LEU 9 7.318 5.409 13.360 608 H SER 10 H SER 10 11.931 2.499 16.295 609 HA SER 10 HA SER 10 14.326 4.039 16.681 610 HB2 SER 10 2HB SER 10 14.019 1.098 15.909 611 HB3 SER 10 3HB SER 10 15.474 1.854 16.563 612 HG SER 10 HG SER 10 14.685 1.591 18.489 613 H TYR 11 H TYR 11 16.268 3.470 15.116 614 HA TYR 11 HA TYR 11 15.892 4.692 12.636 615 HB2 TYR 11 2HB TYR 11 18.099 4.501 13.751 616 HB3 TYR 11 3HB TYR 11 18.101 2.761 13.491 617 HD1 TYR 11 HD1 TYR 11 18.459 6.066 11.848 618 HD2 TYR 11 HD2 TYR 11 18.657 1.830 11.266 619 HE1 TYR 11 HE1 TYR 11 19.601 6.411 9.708 620 HE2 TYR 11 HE2 TYR 11 19.785 2.176 9.112 621 HH TYR 11 HH TYR 11 19.990 4.090 7.403 622 H ALA 12 H ALA 12 16.281 1.224 13.394 623 HA ALA 12 HA ALA 12 15.967 0.212 10.778 624 HB1 ALA 12 1HB ALA 12 15.786 -1.987 11.870 625 HB2 ALA 12 2HB ALA 12 15.563 -1.201 13.437 626 HB3 ALA 12 3HB ALA 12 17.093 -1.034 12.571 627 H GLU 13 H GLU 13 13.637 1.005 13.298 628 HA GLU 13 HA GLU 13 11.387 -0.322 12.139 629 HB2 GLU 13 2HB GLU 13 11.397 2.017 14.084 630 HB3 GLU 13 3HB GLU 13 10.023 0.980 13.725 631 HG2 GLU 13 2HG GLU 13 12.579 0.195 15.136 632 HG3 GLU 13 3HG GLU 13 10.977 0.343 15.855 633 H LYS 14 H LYS 14 12.741 2.938 11.931 634 HA LYS 14 HA LYS 14 10.728 4.060 10.271 635 HB2 LYS 14 2HB LYS 14 12.226 5.470 11.581 636 HB3 LYS 14 3HB LYS 14 13.627 4.871 10.715 637 HG2 LYS 14 2HG LYS 14 11.483 6.200 9.078 638 HG3 LYS 14 3HG LYS 14 12.445 7.236 10.126 639 HD2 LYS 14 2HD LYS 14 13.655 5.324 8.071 640 HD3 LYS 14 3HD LYS 14 13.310 7.031 7.741 641 HE2 LYS 14 2HE LYS 14 14.824 7.624 9.682 642 HE3 LYS 14 3HE LYS 14 15.266 5.915 9.778 643 HZ1 LYS 14 1HZ LYS 14 15.645 7.670 7.416 644 HZ2 LYS 14 2HZ LYS 14 16.104 6.048 7.525 645 HZ3 LYS 14 3HZ LYS 14 16.853 7.208 8.498 646 H GLU 15 H GLU 15 13.739 2.290 9.634 647 HA GLU 15 HA GLU 15 13.896 2.698 6.844 648 HB2 GLU 15 2HB GLU 15 14.864 0.329 8.492 649 HB3 GLU 15 3HB GLU 15 15.322 0.627 6.826 650 HG2 GLU 15 2HG GLU 15 15.971 2.366 9.191 651 HG3 GLU 15 3HG GLU 15 17.076 1.266 8.384 652 H LYS 16 H LYS 16 12.526 -0.033 8.704 653 HA LYS 16 HA LYS 16 11.470 -1.406 6.468 654 HB2 LYS 16 2HB LYS 16 10.279 -2.826 7.993 655 HB3 LYS 16 3HB LYS 16 11.847 -2.464 8.700 656 HG2 LYS 16 2HG LYS 16 10.766 -0.750 10.151 657 HG3 LYS 16 3HG LYS 16 9.196 -1.217 9.494 658 HD2 LYS 16 2HD LYS 16 9.593 -2.253 11.693 659 HD3 LYS 16 3HD LYS 16 9.472 -3.483 10.433 660 HE2 LYS 16 2HE LYS 16 11.870 -3.813 10.436 661 HE3 LYS 16 3HE LYS 16 12.115 -2.414 11.485 662 HZ1 LYS 16 1HZ LYS 16 12.263 -4.531 12.671 663 HZ2 LYS 16 2HZ LYS 16 10.655 -4.872 12.280 664 HZ3 LYS 16 3HZ LYS 16 11.024 -3.550 13.269 665 H LEU 17 H LEU 17 10.215 1.261 8.379 666 HA LEU 17 HA LEU 17 7.517 1.082 7.455 667 HB2 LEU 17 2HB LEU 17 8.766 2.435 9.520 668 HB3 LEU 17 3HB LEU 17 8.457 3.748 8.407 669 HG LEU 17 HG LEU 17 6.634 3.572 10.029 670 HD11 LEU 17 1HD1 LEU 17 4.708 3.466 8.540 671 HD12 LEU 17 2HD1 LEU 17 5.663 2.642 7.306 672 HD13 LEU 17 3HD1 LEU 17 6.035 4.310 7.748 673 HD21 LEU 17 1HD2 LEU 17 6.870 1.176 10.601 674 HD22 LEU 17 2HD2 LEU 17 6.204 0.726 9.027 675 HD23 LEU 17 3HD2 LEU 17 5.200 1.579 10.203 676 H LYS 18 H LYS 18 10.337 3.067 6.417 677 HA LYS 18 HA LYS 18 8.774 4.609 4.558 678 HB2 LYS 18 2HB LYS 18 10.962 5.510 3.740 679 HB3 LYS 18 3HB LYS 18 10.739 5.665 5.470 680 HG2 LYS 18 2HG LYS 18 12.985 5.067 5.286 681 HG3 LYS 18 3HG LYS 18 12.204 3.531 5.655 682 HD2 LYS 18 2HD LYS 18 12.272 2.970 3.198 683 HD3 LYS 18 3HD LYS 18 13.149 4.468 2.906 684 HE2 LYS 18 2HE LYS 18 15.007 3.675 4.293 685 HE3 LYS 18 3HE LYS 18 14.115 2.200 4.673 686 HZ1 LYS 18 1HZ LYS 18 14.155 1.657 2.306 687 HZ2 LYS 18 2HZ LYS 18 15.705 1.784 2.954 688 HZ3 LYS 18 3HZ LYS 18 15.086 3.031 1.995 689 H GLU 19 H GLU 19 10.709 1.644 4.317 690 HA GLU 19 HA GLU 19 10.463 1.439 1.450 691 HB2 GLU 19 2HB GLU 19 11.484 -0.733 1.624 692 HB3 GLU 19 3HB GLU 19 12.330 0.351 2.722 693 HG2 GLU 19 2HG GLU 19 11.068 -0.587 4.620 694 HG3 GLU 19 3HG GLU 19 10.243 -1.693 3.524 695 H LYS 20 H LYS 20 8.597 0.346 4.266 696 HA LYS 20 HA LYS 20 6.693 -1.291 3.038 697 HB2 LYS 20 2HB LYS 20 6.456 -1.270 5.356 698 HB3 LYS 20 3HB LYS 20 6.727 0.458 5.478 699 HG2 LYS 20 2HG LYS 20 4.444 0.931 4.767 700 HG3 LYS 20 3HG LYS 20 4.139 -0.787 4.477 701 HD2 LYS 20 2HD LYS 20 4.756 0.478 7.174 702 HD3 LYS 20 3HD LYS 20 3.156 -0.004 6.609 703 HE2 LYS 20 2HE LYS 20 5.495 -1.890 7.058 704 HE3 LYS 20 3HE LYS 20 4.122 -1.678 8.145 705 HZ1 LYS 20 1HZ LYS 20 3.869 -3.621 6.740 706 HZ2 LYS 20 2HZ LYS 20 3.968 -2.662 5.352 707 HZ3 LYS 20 3HZ LYS 20 2.661 -2.484 6.406 708 H LEU 21 H LEU 21 6.665 2.249 3.498 709 HA LEU 21 HA LEU 21 4.174 2.780 2.311 710 HB2 LEU 21 2HB LEU 21 6.569 4.639 2.533 711 HB3 LEU 21 3HB LEU 21 4.916 5.142 2.212 712 HG LEU 21 HG LEU 21 5.931 3.898 4.796 713 HD11 LEU 21 1HD1 LEU 21 5.028 6.726 4.218 714 HD12 LEU 21 2HD1 LEU 21 6.684 6.190 4.518 715 HD13 LEU 21 3HD1 LEU 21 5.481 6.079 5.798 716 HD21 LEU 21 1HD2 LEU 21 3.706 4.324 5.722 717 HD22 LEU 21 2HD2 LEU 21 3.625 3.192 4.375 718 HD23 LEU 21 3HD2 LEU 21 3.135 4.873 4.145 719 H ALA 22 H ALA 22 7.476 2.812 0.992 720 HA ALA 22 HA ALA 22 6.778 3.727 -1.627 721 HB1 ALA 22 1HB ALA 22 9.017 4.077 -0.671 722 HB2 ALA 22 2HB ALA 22 9.112 3.197 -2.197 723 HB3 ALA 22 3HB ALA 22 9.303 2.334 -0.667 724 H PHE 23 H PHE 23 7.146 0.523 -0.154 725 HA PHE 23 HA PHE 23 7.190 -1.036 -2.535 726 HB2 PHE 23 2HB PHE 23 7.971 -2.060 -0.485 727 HB3 PHE 23 3HB PHE 23 6.458 -1.729 0.341 728 HD1 PHE 23 HD1 PHE 23 7.653 -3.590 -2.726 729 HD2 PHE 23 HD2 PHE 23 5.040 -3.566 0.674 730 HE1 PHE 23 HE1 PHE 23 6.860 -5.846 -3.304 731 HE2 PHE 23 HE2 PHE 23 4.259 -5.816 0.078 732 HZ PHE 23 HZ PHE 23 5.164 -6.953 -1.906 733 H LEU 24 H LEU 24 4.572 -0.395 -0.195 734 HA LEU 24 HA LEU 24 2.551 -1.618 -1.722 735 HB2 LEU 24 2HB LEU 24 0.977 -0.745 -0.123 736 HB3 LEU 24 3HB LEU 24 2.384 -1.369 0.694 737 HG LEU 24 HG LEU 24 3.123 1.162 0.862 738 HD11 LEU 24 1HD1 LEU 24 1.434 2.131 -0.615 739 HD12 LEU 24 2HD1 LEU 24 1.274 2.768 1.015 740 HD13 LEU 24 3HD1 LEU 24 0.145 1.545 0.438 741 HD21 LEU 24 1HD2 LEU 24 2.557 -0.208 2.811 742 HD22 LEU 24 2HD2 LEU 24 0.838 0.108 2.560 743 HD23 LEU 24 3HD2 LEU 24 1.927 1.430 2.991 744 H LYS 25 H LYS 25 3.870 1.624 -1.721 745 HA LYS 25 HA LYS 25 1.857 2.974 -3.199 746 HB2 LYS 25 2HB LYS 25 3.586 4.159 -1.941 747 HB3 LYS 25 3HB LYS 25 4.853 3.480 -2.954 748 HG2 LYS 25 2HG LYS 25 3.987 4.780 -4.882 749 HG3 LYS 25 3HG LYS 25 2.733 5.469 -3.849 750 HD2 LYS 25 2HD LYS 25 5.731 5.817 -3.458 751 HD3 LYS 25 3HD LYS 25 4.643 7.017 -4.150 752 HE2 LYS 25 2HE LYS 25 4.473 5.952 -1.306 753 HE3 LYS 25 3HE LYS 25 5.170 7.501 -1.782 754 HZ1 LYS 25 1HZ LYS 25 2.980 7.893 -1.065 755 HZ2 LYS 25 2HZ LYS 25 2.347 6.662 -2.026 756 HZ3 LYS 25 3HZ LYS 25 2.969 8.058 -2.746 757 H LYS 26 H LYS 26 4.940 1.459 -4.308 758 HA LYS 26 HA LYS 26 4.591 2.187 -7.037 759 HB2 LYS 26 2HB LYS 26 6.550 0.802 -7.498 760 HB3 LYS 26 3HB LYS 26 6.821 1.785 -6.066 761 HG2 LYS 26 2HG LYS 26 6.264 -0.263 -4.671 762 HG3 LYS 26 3HG LYS 26 6.255 -1.197 -6.170 763 HD2 LYS 26 2HD LYS 26 8.619 -0.522 -6.580 764 HD3 LYS 26 3HD LYS 26 8.618 0.366 -5.054 765 HE2 LYS 26 2HE LYS 26 9.706 -1.823 -4.788 766 HE3 LYS 26 3HE LYS 26 8.223 -1.750 -3.831 767 HZ1 LYS 26 1HZ LYS 26 7.090 -2.998 -5.564 768 HZ2 LYS 26 2HZ LYS 26 8.440 -3.845 -5.011 769 HZ3 LYS 26 3HZ LYS 26 8.504 -3.041 -6.492 770 H GLU 27 H GLU 27 3.858 -0.778 -5.189 771 HA GLU 27 HA GLU 27 3.054 -2.322 -7.454 772 HB2 GLU 27 2HB GLU 27 2.243 -3.981 -5.931 773 HB3 GLU 27 3HB GLU 27 3.732 -3.337 -5.253 774 HG2 GLU 27 2HG GLU 27 2.521 -2.071 -3.596 775 HG3 GLU 27 3HG GLU 27 0.976 -2.447 -4.355 776 H TYR 28 H TYR 28 1.354 -0.196 -5.129 777 HA TYR 28 HA TYR 28 -1.320 -0.709 -5.760 778 HB2 TYR 28 2HB TYR 28 -0.678 0.705 -3.860 779 HB3 TYR 28 3HB TYR 28 -0.006 1.919 -4.935 780 HD1 TYR 28 HD1 TYR 28 -3.226 0.316 -3.882 781 HD2 TYR 28 HD2 TYR 28 -1.417 3.703 -5.750 782 HE1 TYR 28 HE1 TYR 28 -5.371 1.497 -3.804 783 HE2 TYR 28 HE2 TYR 28 -3.561 4.891 -5.667 784 HH TYR 28 HH TYR 28 -5.954 4.361 -5.526 785 H SER 29 H SER 29 0.899 1.693 -7.162 786 HA SER 29 HA SER 29 -0.841 2.827 -9.035 787 HB2 SER 29 2HB SER 29 1.278 3.874 -8.367 788 HB3 SER 29 3HB SER 29 2.198 2.556 -9.094 789 HG SER 29 HG SER 29 2.008 3.507 -10.952 790 H ARG 30 H ARG 30 1.517 0.139 -9.418 791 HA ARG 30 HA ARG 30 1.089 -0.319 -12.190 792 HB2 ARG 30 2HB ARG 30 3.101 -1.050 -10.937 793 HB3 ARG 30 3HB ARG 30 2.132 -2.216 -10.042 794 HG2 ARG 30 2HG ARG 30 1.676 -3.452 -12.140 795 HG3 ARG 30 3HG ARG 30 2.621 -2.267 -13.042 796 HD2 ARG 30 2HD ARG 30 4.619 -2.894 -11.688 797 HD3 ARG 30 3HD ARG 30 3.656 -4.146 -10.899 798 HE ARG 30 HE ARG 30 3.357 -4.888 -13.419 799 HH11 ARG 30 1HH1 ARG 30 6.299 -3.845 -11.781 800 HH12 ARG 30 2HH1 ARG 30 7.347 -4.790 -12.795 801 HH21 ARG 30 1HH2 ARG 30 4.767 -6.106 -14.765 802 HH22 ARG 30 2HH2 ARG 30 6.478 -6.056 -14.467 803 H THR 31 H THR 31 -0.251 -1.982 -9.346 804 HA THR 31 HA THR 31 -1.585 -3.995 -10.887 805 HB THR 31 HB THR 31 -0.488 -4.408 -8.625 806 HG1 THR 31 HG1 THR 31 -1.717 -6.121 -8.527 807 HG21 THR 31 1HG2 THR 31 -1.809 -4.040 -6.592 808 HG22 THR 31 2HG2 THR 31 -3.074 -3.237 -7.522 809 HG23 THR 31 3HG2 THR 31 -1.482 -2.491 -7.370 810 H LEU 32 H LEU 32 -2.573 -1.026 -9.207 811 HA LEU 32 HA LEU 32 -5.380 -1.355 -9.624 812 HB2 LEU 32 2HB LEU 32 -4.491 0.222 -7.967 813 HB3 LEU 32 3HB LEU 32 -3.746 1.177 -9.228 814 HG LEU 32 HG LEU 32 -6.757 0.859 -9.292 815 HD11 LEU 32 1HD1 LEU 32 -6.336 1.411 -6.939 816 HD12 LEU 32 2HD1 LEU 32 -7.105 2.754 -7.783 817 HD13 LEU 32 3HD1 LEU 32 -5.375 2.807 -7.433 818 HD21 LEU 32 1HD2 LEU 32 -4.946 3.195 -9.975 819 HD22 LEU 32 2HD2 LEU 32 -6.698 3.159 -10.188 820 HD23 LEU 32 3HD2 LEU 32 -5.673 2.079 -11.130 821 H ALA 33 H ALA 33 -2.716 0.083 -11.507 822 HA ALA 33 HA ALA 33 -4.084 1.235 -13.630 823 HB1 ALA 33 1HB ALA 33 -1.447 -0.280 -13.776 824 HB2 ALA 33 2HB ALA 33 -1.642 1.407 -13.292 825 HB3 ALA 33 3HB ALA 33 -2.025 0.922 -14.941 826 H ARG 34 H ARG 34 -2.852 -2.106 -13.426 827 HA ARG 34 HA ARG 34 -3.962 -2.975 -15.884 828 HB2 ARG 34 2HB ARG 34 -3.208 -5.193 -15.289 829 HB3 ARG 34 3HB ARG 34 -1.979 -4.023 -14.824 830 HG2 ARG 34 2HG ARG 34 -2.820 -4.146 -12.462 831 HG3 ARG 34 3HG ARG 34 -3.923 -5.431 -12.958 832 HD2 ARG 34 2HD ARG 34 -0.894 -5.490 -13.073 833 HD3 ARG 34 3HD ARG 34 -1.920 -6.376 -11.938 834 HE ARG 34 HE ARG 34 -2.832 -7.566 -13.955 835 HH11 ARG 34 1HH1 ARG 34 0.398 -6.213 -14.019 836 HH12 ARG 34 2HH1 ARG 34 0.971 -7.320 -15.221 837 HH21 ARG 34 1HH2 ARG 34 -2.087 -9.007 -15.542 838 HH22 ARG 34 2HH2 ARG 34 -0.446 -8.915 -16.094 839 H LEU 35 H LEU 35 -5.175 -3.038 -12.546 840 HA LEU 35 HA LEU 35 -7.385 -4.749 -12.856 841 HB2 LEU 35 2HB LEU 35 -6.351 -3.489 -10.719 842 HB3 LEU 35 3HB LEU 35 -7.597 -2.317 -11.068 843 HG LEU 35 HG LEU 35 -8.010 -5.244 -10.313 844 HD11 LEU 35 1HD1 LEU 35 -7.404 -3.858 -8.416 845 HD12 LEU 35 2HD1 LEU 35 -9.080 -4.380 -8.288 846 HD13 LEU 35 3HD1 LEU 35 -8.707 -2.725 -8.784 847 HD21 LEU 35 1HD2 LEU 35 -9.764 -4.629 -11.903 848 HD22 LEU 35 2HD2 LEU 35 -10.175 -3.214 -10.934 849 HD23 LEU 35 3HD2 LEU 35 -10.434 -4.838 -10.286 850 H GLN 36 H GLN 36 -7.010 -1.233 -13.382 851 HA GLN 36 HA GLN 36 -9.708 -0.712 -14.113 852 HB2 GLN 36 2HB GLN 36 -7.225 0.912 -14.815 853 HB3 GLN 36 3HB GLN 36 -8.889 1.470 -14.960 854 HG2 GLN 36 2HG GLN 36 -7.401 0.827 -12.407 855 HG3 GLN 36 3HG GLN 36 -7.888 2.417 -12.974 856 HE21 GLN 36 1HE2 GLN 36 -8.461 1.073 -10.446 857 HE22 GLN 36 2HE2 GLN 36 -10.181 1.020 -10.306 858 H ARG 37 H ARG 37 -6.783 -1.481 -16.000 859 HA ARG 37 HA ARG 37 -7.927 -1.099 -18.579 860 HB2 ARG 37 2HB ARG 37 -5.571 -2.843 -17.739 861 HB3 ARG 37 3HB ARG 37 -5.982 -2.455 -19.408 862 HG2 ARG 37 2HG ARG 37 -5.101 -0.503 -17.264 863 HG3 ARG 37 3HG ARG 37 -4.162 -1.030 -18.657 864 HD2 ARG 37 2HD ARG 37 -5.850 0.050 -20.157 865 HD3 ARG 37 3HD ARG 37 -6.710 0.625 -18.723 866 HE ARG 37 HE ARG 37 -3.946 1.403 -18.774 867 HH11 ARG 37 1HH1 ARG 37 -7.155 2.288 -19.914 868 HH12 ARG 37 2HH1 ARG 37 -6.752 3.963 -20.119 869 HH21 ARG 37 1HH2 ARG 37 -3.427 3.590 -19.056 870 HH22 ARG 37 2HH2 ARG 37 -4.630 4.699 -19.629 871 H ALA 38 H ALA 38 -8.024 -3.750 -16.328 872 HA ALA 38 HA ALA 38 -9.074 -5.732 -18.115 873 HB1 ALA 38 1HB ALA 38 -9.459 -7.037 -16.062 874 HB2 ALA 38 2HB ALA 38 -9.099 -5.615 -15.079 875 HB3 ALA 38 3HB ALA 38 -7.837 -6.340 -16.077 876 H LYS 39 H LYS 39 -10.549 -3.810 -15.470 877 HA LYS 39 HA LYS 39 -13.156 -4.917 -15.919 878 HB2 LYS 39 2HB LYS 39 -13.858 -3.581 -13.998 879 HB3 LYS 39 3HB LYS 39 -12.344 -4.406 -13.651 880 HG2 LYS 39 2HG LYS 39 -11.096 -2.300 -14.029 881 HG3 LYS 39 3HG LYS 39 -12.598 -1.462 -14.403 882 HD2 LYS 39 2HD LYS 39 -11.868 -2.703 -11.721 883 HD3 LYS 39 3HD LYS 39 -11.855 -0.982 -12.104 884 HE2 LYS 39 2HE LYS 39 -14.319 -1.121 -12.550 885 HE3 LYS 39 3HE LYS 39 -14.287 -2.797 -11.996 886 HZ1 LYS 39 1HZ LYS 39 -14.970 -1.340 -10.233 887 HZ2 LYS 39 2HZ LYS 39 -13.574 -0.403 -10.394 888 HZ3 LYS 39 3HZ LYS 39 -13.462 -2.002 -9.857 889 H ARG 40 H ARG 40 -11.674 -1.738 -16.571 890 HA ARG 40 HA ARG 40 -14.153 -0.415 -17.183 891 HB2 ARG 40 2HB ARG 40 -11.250 0.410 -17.642 892 HB3 ARG 40 3HB ARG 40 -12.617 1.449 -18.017 893 HG2 ARG 40 2HG ARG 40 -12.225 0.366 -15.215 894 HG3 ARG 40 3HG ARG 40 -11.358 1.799 -15.766 895 HD2 ARG 40 2HD ARG 40 -13.373 2.433 -14.543 896 HD3 ARG 40 3HD ARG 40 -13.495 2.927 -16.232 897 HE ARG 40 HE ARG 40 -14.788 0.443 -15.281 898 HH11 ARG 40 1HH1 ARG 40 -15.120 3.655 -16.701 899 HH12 ARG 40 2HH1 ARG 40 -16.787 3.422 -17.124 900 HH21 ARG 40 1HH2 ARG 40 -16.951 0.156 -15.846 901 HH22 ARG 40 2HH2 ARG 40 -17.825 1.430 -16.636 902 H ALA 41 H ALA 41 -11.459 -1.696 -19.137 903 HA ALA 41 HA ALA 41 -12.456 -0.814 -21.656 904 HB1 ALA 41 1HB ALA 41 -10.063 -1.172 -21.272 905 HB2 ALA 41 2HB ALA 41 -10.641 -2.165 -22.612 906 HB3 ALA 41 3HB ALA 41 -10.344 -2.898 -21.033 907 H GLU 42 H GLU 42 -12.450 -3.955 -19.932 908 HA GLU 42 HA GLU 42 -13.632 -5.895 -20.112 909 HB2 GLU 42 2HB GLU 42 -15.589 -4.195 -21.708 910 HB3 GLU 42 3HB GLU 42 -15.920 -5.806 -21.087 911 HG2 GLU 42 2HG GLU 42 -15.852 -5.031 -18.812 912 HG3 GLU 42 3HG GLU 42 -15.237 -3.462 -19.312 913 H LYS 43 H LYS 43 -11.713 -5.027 -22.243 914 HA LYS 43 HA LYS 43 -12.305 -5.723 -24.831 915 HB2 LYS 43 2HB LYS 43 -9.905 -5.927 -25.232 916 HB3 LYS 43 3HB LYS 43 -10.203 -4.593 -24.132 917 HG2 LYS 43 2HG LYS 43 -9.262 -7.338 -23.244 918 HG3 LYS 43 3HG LYS 43 -8.185 -5.982 -23.562 919 HD2 LYS 43 2HD LYS 43 -9.214 -4.705 -21.714 920 HD3 LYS 43 3HD LYS 43 -10.377 -6.005 -21.444 921 HE2 LYS 43 2HE LYS 43 -8.635 -6.143 -19.771 922 HE3 LYS 43 3HE LYS 43 -8.487 -7.521 -20.856 923 HZ1 LYS 43 1HZ LYS 43 -6.853 -5.046 -21.008 924 HZ2 LYS 43 2HZ LYS 43 -6.682 -6.416 -21.984 925 HZ3 LYS 43 3HZ LYS 43 -6.342 -6.512 -20.332 926 H ALA 44 H ALA 44 -11.589 -7.902 -22.167 927 HA ALA 44 HA ALA 44 -12.071 -10.257 -23.884 928 HB1 ALA 44 1HB ALA 44 -10.215 -11.454 -22.771 929 HB2 ALA 44 2HB ALA 44 -9.794 -9.990 -21.879 930 HB3 ALA 44 3HB ALA 44 -9.631 -10.033 -23.636 931 H LYS 45 H LYS 45 -14.107 -9.327 -22.630 932 HA LYS 45 HA LYS 45 -14.399 -9.875 -19.835 933 HB2 LYS 45 2HB LYS 45 -16.790 -9.352 -20.205 934 HB3 LYS 45 3HB LYS 45 -15.738 -8.167 -20.971 935 HG2 LYS 45 2HG LYS 45 -16.122 -9.166 -23.174 936 HG3 LYS 45 3HG LYS 45 -17.077 -10.464 -22.449 937 HD2 LYS 45 2HD LYS 45 -18.530 -8.760 -23.478 938 HD3 LYS 45 3HD LYS 45 -18.785 -8.833 -21.734 939 HE2 LYS 45 2HE LYS 45 -17.336 -6.825 -21.472 940 HE3 LYS 45 3HE LYS 45 -17.144 -6.755 -23.225 941 HZ1 LYS 45 1HZ LYS 45 -19.734 -6.549 -21.794 942 HZ2 LYS 45 2HZ LYS 45 -19.484 -6.356 -23.457 943 HZ3 LYS 45 3HZ LYS 45 -18.841 -5.234 -22.366 944 H ASN 46 H ASN 46 -14.187 -12.111 -22.294 945 HA ASN 46 HA ASN 46 -14.810 -14.211 -22.737 946 HB2 ASN 46 2HB ASN 46 -14.043 -14.741 -20.437 947 HB3 ASN 46 3HB ASN 46 -15.629 -14.346 -19.795 948 HD21 ASN 46 1HD2 ASN 46 -15.000 -16.227 -22.758 949 HD22 ASN 46 2HD2 ASN 46 -15.643 -17.704 -22.144 950 H SER 47 H SER 47 -16.326 -13.253 -24.158 951 HA SER 47 HA SER 47 -19.099 -12.940 -23.552 952 HB2 SER 47 2HB SER 47 -17.993 -11.876 -25.526 953 HB3 SER 47 3HB SER 47 -17.753 -13.467 -26.250 954 HG SER 47 HG SER 47 -20.172 -12.061 -25.800 955 H LYS 48 H LYS 48 -20.847 -14.350 -24.308 956 HA LYS 48 HA LYS 48 -20.507 -17.002 -23.405 957 HB2 LYS 48 2HB LYS 48 -22.661 -15.632 -23.343 958 HB3 LYS 48 3HB LYS 48 -22.845 -15.957 -25.056 959 HG2 LYS 48 2HG LYS 48 -22.705 -18.167 -22.972 960 HG3 LYS 48 3HG LYS 48 -24.215 -17.408 -23.446 961 HD2 LYS 48 2HD LYS 48 -22.384 -18.867 -25.389 962 HD3 LYS 48 3HD LYS 48 -23.730 -19.636 -24.556 963 HE2 LYS 48 2HE LYS 48 -24.436 -19.046 -26.786 964 HE3 LYS 48 3HE LYS 48 -25.285 -18.009 -25.648 965 HZ1 LYS 48 1HZ LYS 48 -24.467 -16.854 -27.653 966 HZ2 LYS 48 2HZ LYS 48 -22.875 -17.190 -27.192 967 HZ3 LYS 48 3HZ LYS 48 -23.842 -16.194 -26.227 968 H LYS 49 H LYS 49 -19.151 -18.230 -24.465 969 HA LYS 49 HA LYS 49 -19.125 -18.528 -27.397 970 HB2 LYS 49 2HB LYS 49 -17.052 -19.942 -26.878 971 HB3 LYS 49 3HB LYS 49 -16.926 -18.238 -26.456 972 HG2 LYS 49 2HG LYS 49 -17.042 -18.653 -24.137 973 HG3 LYS 49 3HG LYS 49 -17.770 -20.243 -24.351 974 HD2 LYS 49 2HD LYS 49 -14.902 -19.583 -25.126 975 HD3 LYS 49 3HD LYS 49 -15.369 -20.280 -23.575 976 HE2 LYS 49 2HE LYS 49 -16.384 -22.218 -24.814 977 HE3 LYS 49 3HE LYS 49 -15.744 -21.540 -26.311 978 HZ1 LYS 49 1HZ LYS 49 -13.543 -21.836 -25.535 979 HZ2 LYS 49 2HZ LYS 49 -14.363 -23.293 -25.287 980 HZ3 LYS 49 3HZ LYS 49 -14.064 -22.262 -23.985 981 H ALA 50 H ALA 50 -18.601 -20.919 -28.024 982 HA ALA 50 HA ALA 50 -20.716 -22.668 -27.225 983 HB1 ALA 50 1HB ALA 50 -19.657 -24.294 -28.753 984 HB2 ALA 50 2HB ALA 50 -18.257 -23.230 -28.908 985 HB3 ALA 50 3HB ALA 50 -19.826 -22.711 -29.525 986 H ILE 51 H ILE 51 -20.634 -23.402 -25.185 987 HA ILE 51 HA ILE 51 -18.374 -23.656 -23.527 988 HB ILE 51 HB ILE 51 -20.009 -24.903 -21.951 989 HG12 ILE 51 2HG1 ILE 51 -22.500 -24.581 -22.581 990 HG13 ILE 51 3HG1 ILE 51 -21.969 -24.313 -24.234 991 HG21 ILE 51 1HG2 ILE 51 -21.275 -22.834 -21.429 992 HG22 ILE 51 2HG2 ILE 51 -20.805 -22.156 -22.988 993 HG23 ILE 51 3HG2 ILE 51 -19.574 -22.493 -21.770 994 HD11 ILE 51 1HD1 ILE 51 -21.579 -26.844 -22.648 995 HD12 ILE 51 2HD1 ILE 51 -21.127 -26.592 -24.336 996 HD13 ILE 51 3HD1 ILE 51 -22.826 -26.563 -23.863 997 H GLU 52 H GLU 52 -19.357 -25.759 -25.948 998 HA GLU 52 HA GLU 52 -18.620 -28.300 -24.968 999 HB2 GLU 52 2HB GLU 52 -18.493 -28.925 -27.411 1000 HB3 GLU 52 3HB GLU 52 -20.005 -28.161 -26.934 1001 HG2 GLU 52 2HG GLU 52 -19.215 -26.014 -27.889 1002 HG3 GLU 52 3HG GLU 52 -17.715 -26.801 -28.376 1003 H ASP 53 H ASP 53 -16.647 -27.972 -23.851 1004 HA ASP 53 HA ASP 53 -14.204 -27.916 -25.565 1005 HB2 ASP 53 2HB ASP 53 -14.518 -27.037 -22.642 1006 HB3 ASP 53 3HB ASP 53 -12.968 -27.175 -23.466 1007 H GLY 54 H GLY 54 -12.403 -29.050 -23.909 1008 HA2 GLY 54 2HA GLY 54 -13.226 -31.808 -23.504 1009 HA3 GLY 54 3HA GLY 54 -11.656 -31.100 -23.155 1010 H VAL 55 H VAL 55 -14.998 -30.674 -22.016 1011 HA VAL 55 HA VAL 55 -14.111 -30.050 -19.313 1012 HB VAL 55 HB VAL 55 -15.931 -28.706 -20.302 1013 HG11 VAL 55 1HG1 VAL 55 -18.193 -29.607 -20.724 1014 HG12 VAL 55 2HG1 VAL 55 -17.607 -31.233 -20.371 1015 HG13 VAL 55 3HG1 VAL 55 -16.989 -30.364 -21.776 1016 HG21 VAL 55 1HG2 VAL 55 -15.880 -28.929 -17.854 1017 HG22 VAL 55 2HG2 VAL 55 -16.901 -30.365 -17.944 1018 HG23 VAL 55 3HG2 VAL 55 -17.548 -28.795 -18.420 1019 HA PRO 56 HA PRO 56 -14.790 -34.427 -18.161 1020 HB2 PRO 56 2HB PRO 56 -13.478 -34.407 -15.802 1021 HB3 PRO 56 3HB PRO 56 -12.579 -34.254 -17.329 1022 HG2 PRO 56 2HG PRO 56 -13.391 -32.075 -15.418 1023 HG3 PRO 56 3HG PRO 56 -11.823 -32.335 -16.218 1024 HD2 PRO 56 2HD PRO 56 -13.727 -30.577 -17.164 1025 HD3 PRO 56 3HD PRO 56 -12.520 -31.370 -18.201 1026 H GLN 57 H GLN 57 -15.608 -35.452 -16.058 1027 HA GLN 57 HA GLN 57 -17.997 -34.272 -15.114 1028 HB2 GLN 57 2HB GLN 57 -18.198 -36.144 -13.593 1029 HB3 GLN 57 3HB GLN 57 -17.653 -36.727 -15.149 1030 HG2 GLN 57 2HG GLN 57 -15.927 -36.414 -12.678 1031 HG3 GLN 57 3HG GLN 57 -16.593 -37.922 -13.278 1032 HE21 GLN 57 1HE2 GLN 57 -14.109 -35.537 -13.681 1033 HE22 GLN 57 2HE2 GLN 57 -13.184 -36.412 -14.847 1034 HA PRO 58 HA PRO 58 -16.057 -31.230 -12.335 1035 HB2 PRO 58 2HB PRO 58 -18.381 -30.693 -10.811 1036 HB3 PRO 58 3HB PRO 58 -17.957 -29.916 -12.339 1037 HG2 PRO 58 2HG PRO 58 -19.797 -32.225 -11.880 1038 HG3 PRO 58 3HG PRO 58 -19.993 -30.831 -12.967 1039 HD2 PRO 58 2HD PRO 58 -19.255 -33.195 -13.961 1040 HD3 PRO 58 3HD PRO 58 -18.510 -31.702 -14.581 1041 H GLU 59 H GLU 59 -18.086 -33.831 -11.047 1042 HA GLU 59 HA GLU 59 -16.082 -34.419 -8.982 1043 HB2 GLU 59 2HB GLU 59 -17.587 -32.852 -7.826 1044 HB3 GLU 59 3HB GLU 59 -18.995 -33.803 -8.303 1045 HG2 GLU 59 2HG GLU 59 -18.241 -35.692 -6.912 1046 HG3 GLU 59 3HG GLU 59 -16.768 -34.819 -6.486 1047 H ALA 60 H ALA 60 -19.378 -35.275 -10.042 1048 HA ALA 60 HA ALA 60 -20.465 -37.180 -10.458 1049 HB1 ALA 60 1HB ALA 60 -19.308 -39.141 -11.378 1050 HB2 ALA 60 2HB ALA 60 -17.753 -38.473 -10.873 1051 HB3 ALA 60 3HB ALA 60 -18.701 -37.654 -12.113 1052 H LEU 61 H LEU 61 -20.827 -36.740 -8.072 1053 HA LEU 61 HA LEU 61 -19.942 -38.790 -6.232 1054 HB2 LEU 61 2HB LEU 61 -20.729 -36.397 -5.633 1055 HB3 LEU 61 3HB LEU 61 -22.362 -36.950 -5.917 1056 HG LEU 61 HG LEU 61 -21.738 -36.852 -3.488 1057 HD11 LEU 61 1HD1 LEU 61 -22.632 -38.992 -2.760 1058 HD12 LEU 61 2HD1 LEU 61 -22.387 -39.672 -4.371 1059 HD13 LEU 61 3HD1 LEU 61 -23.540 -38.359 -4.131 1060 HD21 LEU 61 1HD2 LEU 61 -20.176 -38.465 -2.509 1061 HD22 LEU 61 2HD2 LEU 61 -19.367 -37.428 -3.679 1062 HD23 LEU 61 3HD2 LEU 61 -19.782 -39.087 -4.116 1063 H GLU 62 H GLU 62 -20.582 -40.838 -6.581 1064 HA GLU 62 HA GLU 62 -22.800 -41.644 -8.165 1065 HB2 GLU 62 2HB GLU 62 -20.699 -42.964 -7.882 1066 HB3 GLU 62 3HB GLU 62 -21.112 -43.260 -6.198 1067 HG2 GLU 62 2HG GLU 62 -23.127 -44.517 -6.924 1068 HG3 GLU 62 3HG GLU 62 -22.684 -44.237 -8.610 Start of MODEL 2 1 H1 MET 1 1H MET 1 -1.731 -25.433 -17.572 2 H2 MET 1 2H MET 1 -2.788 -26.266 -18.589 3 H3 MET 1 3H MET 1 -2.155 -27.034 -17.223 4 HA MET 1 HA MET 1 -4.439 -26.382 -16.881 5 HB2 MET 1 2HB MET 1 -2.407 -24.793 -15.250 6 HB3 MET 1 3HB MET 1 -4.078 -25.048 -14.761 7 HG2 MET 1 2HG MET 1 -3.704 -27.439 -14.579 8 HG3 MET 1 3HG MET 1 -2.066 -27.266 -15.208 9 HE1 MET 1 1HE MET 1 -0.796 -24.832 -13.777 10 HE2 MET 1 2HE MET 1 -0.000 -26.408 -13.783 11 HE3 MET 1 3HE MET 1 -0.183 -25.524 -12.272 12 H GLU 2 H GLU 2 -2.749 -23.277 -16.442 13 HA GLU 2 HA GLU 2 -4.839 -21.830 -17.898 14 HB2 GLU 2 2HB GLU 2 -2.425 -20.795 -16.331 15 HB3 GLU 2 3HB GLU 2 -3.758 -19.815 -16.947 16 HG2 GLU 2 2HG GLU 2 -5.326 -21.015 -15.454 17 HG3 GLU 2 3HG GLU 2 -3.990 -21.983 -14.832 18 H GLU 3 H GLU 3 -4.525 -21.921 -20.076 19 HA GLU 3 HA GLU 3 -1.835 -22.306 -21.156 20 HB2 GLU 3 2HB GLU 3 -4.577 -22.610 -22.430 21 HB3 GLU 3 3HB GLU 3 -3.054 -22.928 -23.262 22 HG2 GLU 3 2HG GLU 3 -2.530 -24.695 -21.602 23 HG3 GLU 3 3HG GLU 3 -4.075 -24.394 -20.804 24 H LEU 4 H LEU 4 -4.645 -20.200 -21.830 25 HA LEU 4 HA LEU 4 -2.886 -18.410 -23.414 26 HB2 LEU 4 2HB LEU 4 -5.825 -19.023 -23.932 27 HB3 LEU 4 3HB LEU 4 -4.801 -17.964 -24.893 28 HG LEU 4 HG LEU 4 -4.542 -20.992 -24.655 29 HD11 LEU 4 1HD1 LEU 4 -5.155 -21.043 -27.007 30 HD12 LEU 4 2HD1 LEU 4 -5.315 -19.285 -27.035 31 HD13 LEU 4 3HD1 LEU 4 -6.418 -20.260 -26.059 32 HD21 LEU 4 1HD2 LEU 4 -2.806 -19.047 -26.211 33 HD22 LEU 4 2HD2 LEU 4 -2.759 -20.806 -26.365 34 HD23 LEU 4 3HD2 LEU 4 -2.312 -20.047 -24.841 35 H SER 5 H SER 5 -3.588 -16.193 -23.526 36 HA SER 5 HA SER 5 -4.650 -15.144 -21.006 37 HB2 SER 5 2HB SER 5 -3.424 -13.706 -23.404 38 HB3 SER 5 3HB SER 5 -3.722 -13.014 -21.807 39 HG SER 5 HG SER 5 -2.290 -15.128 -21.345 40 H GLY 6 H GLY 6 -5.602 -12.616 -22.370 41 HA2 GLY 6 2HA GLY 6 -7.247 -11.925 -23.966 42 HA3 GLY 6 3HA GLY 6 -7.929 -13.544 -23.949 43 H LYS 7 H LYS 7 -8.727 -14.254 -21.724 44 HA LYS 7 HA LYS 7 -10.644 -12.429 -20.708 45 HB2 LYS 7 2HB LYS 7 -11.269 -14.107 -19.084 46 HB3 LYS 7 3HB LYS 7 -11.003 -14.890 -20.627 47 HG2 LYS 7 2HG LYS 7 -8.971 -14.925 -18.364 48 HG3 LYS 7 3HG LYS 7 -10.219 -16.153 -18.580 49 HD2 LYS 7 2HD LYS 7 -9.269 -16.644 -20.850 50 HD3 LYS 7 3HD LYS 7 -7.958 -15.508 -20.511 51 HE2 LYS 7 2HE LYS 7 -8.579 -18.046 -18.953 52 HE3 LYS 7 3HE LYS 7 -7.257 -17.832 -20.098 53 HZ1 LYS 7 1HZ LYS 7 -6.321 -16.141 -18.623 54 HZ2 LYS 7 2HZ LYS 7 -6.477 -17.624 -17.834 55 HZ3 LYS 7 3HZ LYS 7 -7.577 -16.382 -17.517 56 HA PRO 8 HA PRO 8 -8.069 -10.225 -17.825 57 HB2 PRO 8 2HB PRO 8 -9.907 -8.770 -16.494 58 HB3 PRO 8 3HB PRO 8 -9.734 -8.590 -18.253 59 HG2 PRO 8 2HG PRO 8 -11.822 -10.086 -16.710 60 HG3 PRO 8 3HG PRO 8 -11.998 -9.096 -18.176 61 HD2 PRO 8 2HD PRO 8 -11.782 -11.899 -18.139 62 HD3 PRO 8 3HD PRO 8 -11.523 -10.870 -19.556 63 H LEU 9 H LEU 9 -8.658 -9.452 -15.207 64 HA LEU 9 HA LEU 9 -8.079 -11.714 -13.638 65 HB2 LEU 9 2HB LEU 9 -8.758 -10.106 -11.676 66 HB3 LEU 9 3HB LEU 9 -7.323 -9.786 -12.622 67 HG LEU 9 HG LEU 9 -8.690 -8.082 -13.955 68 HD11 LEU 9 1HD1 LEU 9 -10.718 -7.154 -12.919 69 HD12 LEU 9 2HD1 LEU 9 -10.696 -8.461 -11.732 70 HD13 LEU 9 3HD1 LEU 9 -10.940 -8.825 -13.438 71 HD21 LEU 9 1HD2 LEU 9 -8.491 -6.319 -12.267 72 HD22 LEU 9 2HD2 LEU 9 -7.088 -7.386 -12.247 73 HD23 LEU 9 3HD2 LEU 9 -8.328 -7.539 -10.999 74 H SER 10 H SER 10 -9.316 -13.110 -12.501 75 HA SER 10 HA SER 10 -12.073 -13.495 -13.187 76 HB2 SER 10 2HB SER 10 -10.439 -14.942 -11.050 77 HB3 SER 10 3HB SER 10 -11.900 -15.529 -11.846 78 HG SER 10 HG SER 10 -10.260 -16.482 -12.908 79 H TYR 11 H TYR 11 -13.626 -14.128 -11.202 80 HA TYR 11 HA TYR 11 -14.354 -11.816 -9.822 81 HB2 TYR 11 2HB TYR 11 -15.927 -13.692 -10.160 82 HB3 TYR 11 3HB TYR 11 -14.966 -14.722 -9.104 83 HD1 TYR 11 HD1 TYR 11 -17.117 -11.650 -9.136 84 HD2 TYR 11 HD2 TYR 11 -15.303 -14.676 -6.717 85 HE1 TYR 11 HE1 TYR 11 -18.420 -10.889 -7.195 86 HE2 TYR 11 HE2 TYR 11 -16.600 -13.910 -4.786 87 HH TYR 11 HH TYR 11 -17.704 -11.750 -4.056 88 H ALA 12 H ALA 12 -12.780 -14.738 -8.467 89 HA ALA 12 HA ALA 12 -12.284 -13.732 -5.900 90 HB1 ALA 12 1HB ALA 12 -12.271 -16.117 -6.451 91 HB2 ALA 12 2HB ALA 12 -10.769 -15.650 -5.651 92 HB3 ALA 12 3HB ALA 12 -10.798 -15.907 -7.400 93 H GLU 13 H GLU 13 -10.378 -13.467 -8.876 94 HA GLU 13 HA GLU 13 -7.974 -12.531 -7.660 95 HB2 GLU 13 2HB GLU 13 -8.918 -12.059 -10.512 96 HB3 GLU 13 3HB GLU 13 -7.273 -11.851 -9.914 97 HG2 GLU 13 2HG GLU 13 -8.814 -14.415 -10.317 98 HG3 GLU 13 3HG GLU 13 -7.319 -13.908 -11.094 99 H LYS 14 H LYS 14 -10.796 -10.911 -9.050 100 HA LYS 14 HA LYS 14 -9.880 -8.239 -8.826 101 HB2 LYS 14 2HB LYS 14 -11.699 -8.857 -10.325 102 HB3 LYS 14 3HB LYS 14 -12.686 -9.406 -8.987 103 HG2 LYS 14 2HG LYS 14 -11.827 -6.538 -8.916 104 HG3 LYS 14 3HG LYS 14 -12.976 -6.979 -10.179 105 HD2 LYS 14 2HD LYS 14 -13.390 -7.508 -7.198 106 HD3 LYS 14 3HD LYS 14 -14.060 -6.126 -8.076 107 HE2 LYS 14 2HE LYS 14 -15.299 -7.720 -9.552 108 HE3 LYS 14 3HE LYS 14 -14.680 -9.060 -8.588 109 HZ1 LYS 14 1HZ LYS 14 -16.923 -8.409 -7.948 110 HZ2 LYS 14 2HZ LYS 14 -16.388 -6.860 -7.560 111 HZ3 LYS 14 3HZ LYS 14 -15.833 -8.182 -6.677 112 H GLU 15 H GLU 15 -11.734 -10.365 -6.720 113 HA GLU 15 HA GLU 15 -12.449 -8.508 -4.719 114 HB2 GLU 15 2HB GLU 15 -12.117 -11.529 -4.617 115 HB3 GLU 15 3HB GLU 15 -12.851 -10.584 -3.329 116 HG2 GLU 15 2HG GLU 15 -13.917 -10.653 -6.156 117 HG3 GLU 15 3HG GLU 15 -14.428 -11.779 -4.900 118 H LYS 16 H LYS 16 -9.853 -10.967 -4.796 119 HA LYS 16 HA LYS 16 -8.638 -10.233 -2.351 120 HB2 LYS 16 2HB LYS 16 -6.811 -11.668 -2.929 121 HB3 LYS 16 3HB LYS 16 -8.261 -12.419 -3.583 122 HG2 LYS 16 2HG LYS 16 -7.692 -11.548 -5.827 123 HG3 LYS 16 3HG LYS 16 -6.231 -10.814 -5.169 124 HD2 LYS 16 2HD LYS 16 -5.680 -12.906 -6.306 125 HD3 LYS 16 3HD LYS 16 -5.372 -13.062 -4.576 126 HE2 LYS 16 2HE LYS 16 -7.358 -14.401 -4.274 127 HE3 LYS 16 3HE LYS 16 -7.913 -14.051 -5.912 128 HZ1 LYS 16 1HZ LYS 16 -5.452 -15.585 -5.256 129 HZ2 LYS 16 2HZ LYS 16 -6.083 -15.310 -6.802 130 HZ3 LYS 16 3HZ LYS 16 -6.932 -16.267 -5.700 131 H LEU 17 H LEU 17 -8.328 -8.930 -5.609 132 HA LEU 17 HA LEU 17 -5.906 -7.483 -5.104 133 HB2 LEU 17 2HB LEU 17 -6.612 -8.269 -7.362 134 HB3 LEU 17 3HB LEU 17 -7.904 -7.081 -7.351 135 HG LEU 17 HG LEU 17 -6.319 -5.238 -7.405 136 HD11 LEU 17 1HD1 LEU 17 -4.623 -6.115 -5.892 137 HD12 LEU 17 2HD1 LEU 17 -3.883 -5.603 -7.408 138 HD13 LEU 17 3HD1 LEU 17 -4.137 -7.319 -7.094 139 HD21 LEU 17 1HD2 LEU 17 -6.814 -6.269 -9.583 140 HD22 LEU 17 2HD2 LEU 17 -5.440 -7.359 -9.389 141 HD23 LEU 17 3HD2 LEU 17 -5.174 -5.620 -9.537 142 H LYS 18 H LYS 18 -9.373 -6.517 -5.209 143 HA LYS 18 HA LYS 18 -8.766 -3.747 -4.799 144 HB2 LYS 18 2HB LYS 18 -11.225 -3.430 -4.470 145 HB3 LYS 18 3HB LYS 18 -10.807 -4.252 -5.960 146 HG2 LYS 18 2HG LYS 18 -12.686 -5.420 -5.244 147 HG3 LYS 18 3HG LYS 18 -11.365 -6.442 -4.675 148 HD2 LYS 18 2HD LYS 18 -11.611 -5.442 -2.400 149 HD3 LYS 18 3HD LYS 18 -12.953 -4.459 -2.989 150 HE2 LYS 18 2HE LYS 18 -14.232 -6.509 -3.480 151 HE3 LYS 18 3HE LYS 18 -12.884 -7.493 -2.904 152 HZ1 LYS 18 1HZ LYS 18 -14.476 -5.583 -1.276 153 HZ2 LYS 18 2HZ LYS 18 -13.155 -6.473 -0.715 154 HZ3 LYS 18 3HZ LYS 18 -14.557 -7.269 -1.206 155 H GLU 19 H GLU 19 -9.444 -6.454 -2.621 156 HA GLU 19 HA GLU 19 -9.557 -4.802 -0.255 157 HB2 GLU 19 2HB GLU 19 -9.627 -6.825 1.031 158 HB3 GLU 19 3HB GLU 19 -10.646 -7.058 -0.385 159 HG2 GLU 19 2HG GLU 19 -8.883 -8.381 -1.458 160 HG3 GLU 19 3HG GLU 19 -7.825 -8.124 -0.073 161 H LYS 20 H LYS 20 -7.008 -6.494 -2.056 162 HA LYS 20 HA LYS 20 -4.837 -6.084 -0.336 163 HB2 LYS 20 2HB LYS 20 -4.180 -7.371 -2.150 164 HB3 LYS 20 3HB LYS 20 -5.130 -6.441 -3.294 165 HG2 LYS 20 2HG LYS 20 -3.455 -4.697 -3.398 166 HG3 LYS 20 3HG LYS 20 -2.531 -5.436 -2.083 167 HD2 LYS 20 2HD LYS 20 -3.006 -6.708 -4.806 168 HD3 LYS 20 3HD LYS 20 -1.550 -5.819 -4.352 169 HE2 LYS 20 2HE LYS 20 -2.545 -8.363 -3.025 170 HE3 LYS 20 3HE LYS 20 -1.219 -8.253 -4.182 171 HZ1 LYS 20 1HZ LYS 20 -0.383 -8.325 -1.939 172 HZ2 LYS 20 2HZ LYS 20 -1.304 -6.979 -1.505 173 HZ3 LYS 20 3HZ LYS 20 -0.047 -6.813 -2.617 174 H LEU 21 H LEU 21 -6.205 -3.963 -2.834 175 HA LEU 21 HA LEU 21 -4.388 -1.831 -2.594 176 HB2 LEU 21 2HB LEU 21 -7.283 -1.719 -3.527 177 HB3 LEU 21 3HB LEU 21 -6.053 -0.504 -3.850 178 HG LEU 21 HG LEU 21 -6.068 -3.350 -4.921 179 HD11 LEU 21 1HD1 LEU 21 -7.744 -1.959 -5.994 180 HD12 LEU 21 2HD1 LEU 21 -6.438 -2.356 -7.106 181 HD13 LEU 21 3HD1 LEU 21 -6.517 -0.751 -6.378 182 HD21 LEU 21 1HD2 LEU 21 -4.132 -2.705 -6.275 183 HD22 LEU 21 2HD2 LEU 21 -3.772 -2.627 -4.554 184 HD23 LEU 21 3HD2 LEU 21 -4.071 -1.140 -5.458 185 H ALA 22 H ALA 22 -7.512 -2.450 -1.035 186 HA ALA 22 HA ALA 22 -7.714 0.022 0.387 187 HB1 ALA 22 1HB ALA 22 -9.079 -2.647 0.899 188 HB2 ALA 22 2HB ALA 22 -9.686 -1.356 -0.139 189 HB3 ALA 22 3HB ALA 22 -9.553 -1.096 1.602 190 H PHE 23 H PHE 23 -6.411 -3.185 1.165 191 HA PHE 23 HA PHE 23 -6.071 -2.835 3.956 192 HB2 PHE 23 2HB PHE 23 -6.097 -5.079 2.952 193 HB3 PHE 23 3HB PHE 23 -4.658 -4.715 2.012 194 HD1 PHE 23 HD1 PHE 23 -5.877 -5.140 5.534 195 HD2 PHE 23 HD2 PHE 23 -2.504 -5.176 2.900 196 HE1 PHE 23 HE1 PHE 23 -4.465 -6.030 7.341 197 HE2 PHE 23 HE2 PHE 23 -1.104 -6.055 4.702 198 HZ PHE 23 HZ PHE 23 -2.075 -6.491 6.929 199 H LEU 24 H LEU 24 -3.749 -2.629 1.263 200 HA LEU 24 HA LEU 24 -1.589 -1.745 2.847 201 HB2 LEU 24 2HB LEU 24 -0.395 -1.351 0.772 202 HB3 LEU 24 3HB LEU 24 -1.203 -2.898 0.758 203 HG LEU 24 HG LEU 24 -3.023 -1.689 -0.694 204 HD11 LEU 24 1HD1 LEU 24 -2.275 0.608 -0.378 205 HD12 LEU 24 2HD1 LEU 24 -2.187 0.162 -2.075 206 HD13 LEU 24 3HD1 LEU 24 -0.714 0.223 -1.106 207 HD21 LEU 24 1HD2 LEU 24 -1.781 -2.164 -2.769 208 HD22 LEU 24 2HD2 LEU 24 -1.566 -3.443 -1.577 209 HD23 LEU 24 3HD2 LEU 24 -0.276 -2.267 -1.848 210 H LYS 25 H LYS 25 -4.162 -0.043 1.162 211 HA LYS 25 HA LYS 25 -3.109 2.584 1.305 212 HB2 LYS 25 2HB LYS 25 -4.925 1.998 -0.190 213 HB3 LYS 25 3HB LYS 25 -5.966 1.567 1.160 214 HG2 LYS 25 2HG LYS 25 -6.124 3.881 1.852 215 HG3 LYS 25 3HG LYS 25 -4.932 4.372 0.646 216 HD2 LYS 25 2HD LYS 25 -7.693 3.223 0.067 217 HD3 LYS 25 3HD LYS 25 -7.228 4.920 -0.081 218 HE2 LYS 25 2HE LYS 25 -5.571 4.279 -1.837 219 HE3 LYS 25 3HE LYS 25 -6.122 2.607 -1.716 220 HZ1 LYS 25 1HZ LYS 25 -8.317 3.330 -2.424 221 HZ2 LYS 25 2HZ LYS 25 -7.145 3.735 -3.570 222 HZ3 LYS 25 3HZ LYS 25 -7.780 4.926 -2.553 223 H LYS 26 H LYS 26 -5.289 0.803 3.530 224 HA LYS 26 HA LYS 26 -5.732 3.066 5.218 225 HB2 LYS 26 2HB LYS 26 -6.940 1.542 6.708 226 HB3 LYS 26 3HB LYS 26 -7.424 1.290 5.035 227 HG2 LYS 26 2HG LYS 26 -5.988 -0.723 4.929 228 HG3 LYS 26 3HG LYS 26 -5.519 -0.471 6.612 229 HD2 LYS 26 2HD LYS 26 -7.882 -0.785 7.308 230 HD3 LYS 26 3HD LYS 26 -8.346 -1.037 5.623 231 HE2 LYS 26 2HE LYS 26 -6.983 -3.067 5.526 232 HE3 LYS 26 3HE LYS 26 -6.409 -2.789 7.171 233 HZ1 LYS 26 1HZ LYS 26 -8.639 -3.089 7.984 234 HZ2 LYS 26 2HZ LYS 26 -8.186 -4.437 7.072 235 HZ3 LYS 26 3HZ LYS 26 -9.233 -3.285 6.416 236 H GLU 27 H GLU 27 -3.534 0.233 5.387 237 HA GLU 27 HA GLU 27 -2.460 0.848 7.956 238 HB2 GLU 27 2HB GLU 27 -0.644 -0.704 7.477 239 HB3 GLU 27 3HB GLU 27 -2.154 -1.401 6.908 240 HG2 GLU 27 2HG GLU 27 -1.596 -0.930 4.613 241 HG3 GLU 27 3HG GLU 27 -0.191 0.016 5.092 242 H TYR 28 H TYR 28 -1.531 1.693 4.632 243 HA TYR 28 HA TYR 28 0.849 3.083 5.013 244 HB2 TYR 28 2HB TYR 28 0.092 2.531 2.790 245 HB3 TYR 28 3HB TYR 28 -1.406 3.414 2.999 246 HD1 TYR 28 HD1 TYR 28 2.258 3.796 2.435 247 HD2 TYR 28 HD2 TYR 28 -1.534 5.768 2.460 248 HE1 TYR 28 HE1 TYR 28 3.259 5.730 1.309 249 HE2 TYR 28 HE2 TYR 28 -0.536 7.701 1.334 250 HH TYR 28 HH TYR 28 1.600 8.726 1.005 251 H SER 29 H SER 29 -2.483 4.298 5.022 252 HA SER 29 HA SER 29 -1.855 7.007 5.376 253 HB2 SER 29 2HB SER 29 -4.029 6.172 4.520 254 HB3 SER 29 3HB SER 29 -4.417 5.552 6.126 255 HG SER 29 HG SER 29 -4.608 8.080 5.142 256 H ARG 30 H ARG 30 -2.705 4.469 7.723 257 HA ARG 30 HA ARG 30 -2.742 6.098 10.049 258 HB2 ARG 30 2HB ARG 30 -3.884 3.932 9.927 259 HB3 ARG 30 3HB ARG 30 -2.352 3.100 9.686 260 HG2 ARG 30 2HG ARG 30 -1.645 3.769 11.973 261 HG3 ARG 30 3HG ARG 30 -3.203 4.564 12.210 262 HD2 ARG 30 2HD ARG 30 -4.361 2.424 12.036 263 HD3 ARG 30 3HD ARG 30 -2.846 1.599 11.644 264 HE ARG 30 HE ARG 30 -2.786 3.001 14.172 265 HH11 ARG 30 1HH1 ARG 30 -3.650 -0.042 12.623 266 HH12 ARG 30 2HH1 ARG 30 -3.531 -0.966 14.084 267 HH21 ARG 30 1HH2 ARG 30 -2.666 1.783 16.103 268 HH22 ARG 30 2HH2 ARG 30 -2.971 0.077 16.064 269 H THR 31 H THR 31 -0.218 3.951 8.722 270 HA THR 31 HA THR 31 1.530 4.383 10.952 271 HB THR 31 HB THR 31 1.352 2.170 9.768 272 HG1 THR 31 HG1 THR 31 3.948 3.330 9.983 273 HG21 THR 31 1HG2 THR 31 3.131 3.471 7.671 274 HG22 THR 31 2HG2 THR 31 1.453 2.997 7.413 275 HG23 THR 31 3HG2 THR 31 2.670 1.768 7.751 276 H LEU 32 H LEU 32 1.312 5.648 7.655 277 HA LEU 32 HA LEU 32 3.741 7.160 7.776 278 HB2 LEU 32 2HB LEU 32 2.649 6.662 5.630 279 HB3 LEU 32 3HB LEU 32 1.260 7.622 6.085 280 HG LEU 32 HG LEU 32 3.946 9.018 5.938 281 HD11 LEU 32 1HD1 LEU 32 3.694 9.452 3.538 282 HD12 LEU 32 2HD1 LEU 32 2.299 8.372 3.478 283 HD13 LEU 32 3HD1 LEU 32 3.899 7.728 3.851 284 HD21 LEU 32 1HD2 LEU 32 1.976 10.301 6.696 285 HD22 LEU 32 2HD2 LEU 32 1.148 9.927 5.187 286 HD23 LEU 32 3HD2 LEU 32 2.599 10.931 5.170 287 H ALA 33 H ALA 33 0.362 7.754 8.712 288 HA ALA 33 HA ALA 33 0.457 10.461 9.351 289 HB1 ALA 33 1HB ALA 33 -1.079 8.295 10.833 290 HB2 ALA 33 2HB ALA 33 -1.617 9.126 9.370 291 HB3 ALA 33 3HB ALA 33 -1.427 10.031 10.871 292 H ARG 34 H ARG 34 1.155 7.676 11.467 293 HA ARG 34 HA ARG 34 1.954 9.256 13.707 294 HB2 ARG 34 2HB ARG 34 2.584 7.156 14.764 295 HB3 ARG 34 3HB ARG 34 1.023 6.992 13.966 296 HG2 ARG 34 2HG ARG 34 2.203 5.881 12.044 297 HG3 ARG 34 3HG ARG 34 3.689 5.919 12.998 298 HD2 ARG 34 2HD ARG 34 1.112 4.498 13.737 299 HD3 ARG 34 3HD ARG 34 2.593 3.730 13.143 300 HE ARG 34 HE ARG 34 2.835 5.307 15.596 301 HH11 ARG 34 1HH1 ARG 34 2.502 2.070 14.233 302 HH12 ARG 34 2HH1 ARG 34 3.056 1.293 15.682 303 HH21 ARG 34 1HH2 ARG 34 3.522 4.256 17.475 304 HH22 ARG 34 2HH2 ARG 34 3.631 2.522 17.508 305 H LEU 35 H LEU 35 3.739 7.718 11.029 306 HA LEU 35 HA LEU 35 6.382 8.169 11.849 307 HB2 LEU 35 2HB LEU 35 5.510 6.927 9.765 308 HB3 LEU 35 3HB LEU 35 5.364 8.488 8.993 309 HG LEU 35 HG LEU 35 8.028 7.365 9.985 310 HD11 LEU 35 1HD1 LEU 35 8.517 6.752 7.653 311 HD12 LEU 35 2HD1 LEU 35 6.879 7.214 7.180 312 HD13 LEU 35 3HD1 LEU 35 7.132 5.858 8.280 313 HD21 LEU 35 1HD2 LEU 35 7.440 9.622 8.038 314 HD22 LEU 35 2HD2 LEU 35 9.045 9.001 8.438 315 HD23 LEU 35 3HD2 LEU 35 8.077 9.796 9.675 316 H GLN 36 H GLN 36 4.051 10.322 10.224 317 HA GLN 36 HA GLN 36 5.757 12.567 9.997 318 HB2 GLN 36 2HB GLN 36 2.718 12.461 10.024 319 HB3 GLN 36 3HB GLN 36 3.666 13.887 9.601 320 HG2 GLN 36 2HG GLN 36 3.576 11.255 8.105 321 HG3 GLN 36 3HG GLN 36 2.888 12.787 7.587 322 HE21 GLN 36 1HE2 GLN 36 4.903 10.988 6.332 323 HE22 GLN 36 2HE2 GLN 36 6.277 11.983 6.004 324 H ARG 37 H ARG 37 3.323 11.633 12.458 325 HA ARG 37 HA ARG 37 3.464 13.976 14.019 326 HB2 ARG 37 2HB ARG 37 2.750 11.141 14.879 327 HB3 ARG 37 3HB ARG 37 2.491 12.572 15.874 328 HG2 ARG 37 2HG ARG 37 1.176 11.991 13.197 329 HG3 ARG 37 3HG ARG 37 0.412 11.878 14.782 330 HD2 ARG 37 2HD ARG 37 0.676 14.305 15.100 331 HD3 ARG 37 3HD ARG 37 1.503 14.436 13.544 332 HE ARG 37 HE ARG 37 -0.852 13.315 12.867 333 HH11 ARG 37 1HH1 ARG 37 -0.131 16.194 14.766 334 HH12 ARG 37 2HH1 ARG 37 -1.581 17.011 14.296 335 HH21 ARG 37 1HH2 ARG 37 -2.709 14.407 12.221 336 HH22 ARG 37 2HH2 ARG 37 -3.056 15.986 12.841 337 H ALA 38 H ALA 38 5.566 11.185 13.908 338 HA ALA 38 HA ALA 38 7.038 11.716 16.305 339 HB1 ALA 38 1HB ALA 38 8.608 10.016 15.462 340 HB2 ALA 38 2HB ALA 38 7.806 10.047 13.887 341 HB3 ALA 38 3HB ALA 38 6.935 9.470 15.308 342 H LYS 39 H LYS 39 7.723 12.276 12.818 343 HA LYS 39 HA LYS 39 10.228 13.621 13.333 344 HB2 LYS 39 2HB LYS 39 10.379 13.901 10.905 345 HB3 LYS 39 3HB LYS 39 9.917 12.251 11.313 346 HG2 LYS 39 2HG LYS 39 7.561 12.775 10.764 347 HG3 LYS 39 3HG LYS 39 8.027 14.422 10.333 348 HD2 LYS 39 2HD LYS 39 9.044 11.902 8.956 349 HD3 LYS 39 3HD LYS 39 7.736 12.920 8.354 350 HE2 LYS 39 2HE LYS 39 9.294 14.803 8.100 351 HE3 LYS 39 3HE LYS 39 10.611 13.826 8.756 352 HZ1 LYS 39 1HZ LYS 39 9.129 13.315 6.229 353 HZ2 LYS 39 2HZ LYS 39 10.313 12.300 6.873 354 HZ3 LYS 39 3HZ LYS 39 10.726 13.857 6.369 355 H ARG 40 H ARG 40 6.961 14.727 13.024 356 HA ARG 40 HA ARG 40 7.626 17.450 12.301 357 HB2 ARG 40 2HB ARG 40 4.971 16.192 13.086 358 HB3 ARG 40 3HB ARG 40 5.157 17.892 12.671 359 HG2 ARG 40 2HG ARG 40 5.564 15.501 10.841 360 HG3 ARG 40 3HG ARG 40 4.288 16.716 10.744 361 HD2 ARG 40 2HD ARG 40 6.008 18.436 10.231 362 HD3 ARG 40 3HD ARG 40 7.255 17.185 10.277 363 HE ARG 40 HE ARG 40 5.163 16.558 8.428 364 HH11 ARG 40 1HH1 ARG 40 8.085 18.508 8.769 365 HH12 ARG 40 2HH1 ARG 40 8.377 18.574 7.065 366 HH21 ARG 40 1HH2 ARG 40 5.531 16.722 6.213 367 HH22 ARG 40 2HH2 ARG 40 6.925 17.560 5.618 368 H ALA 41 H ALA 41 6.231 15.832 15.171 369 HA ALA 41 HA ALA 41 6.335 18.159 16.831 370 HB1 ALA 41 1HB ALA 41 4.696 16.369 17.221 371 HB2 ALA 41 2HB ALA 41 5.694 16.631 18.654 372 HB3 ALA 41 3HB ALA 41 6.002 15.244 17.605 373 H GLU 42 H GLU 42 8.337 15.216 16.546 374 HA GLU 42 HA GLU 42 10.287 14.516 17.484 375 HB2 GLU 42 2HB GLU 42 10.969 17.411 16.894 376 HB3 GLU 42 3HB GLU 42 12.174 16.239 17.419 377 HG2 GLU 42 2HG GLU 42 11.691 14.869 15.415 378 HG3 GLU 42 3HG GLU 42 10.530 16.086 14.880 379 H LYS 43 H LYS 43 8.322 15.452 19.386 380 HA LYS 43 HA LYS 43 9.147 16.876 21.567 381 HB2 LYS 43 2HB LYS 43 7.478 15.639 22.848 382 HB3 LYS 43 3HB LYS 43 6.874 15.949 21.229 383 HG2 LYS 43 2HG LYS 43 8.083 13.296 22.068 384 HG3 LYS 43 3HG LYS 43 6.362 13.656 22.187 385 HD2 LYS 43 2HD LYS 43 6.193 13.901 19.763 386 HD3 LYS 43 3HD LYS 43 7.943 13.722 19.584 387 HE2 LYS 43 2HE LYS 43 6.671 11.649 19.027 388 HE3 LYS 43 3HE LYS 43 7.841 11.426 20.328 389 HZ1 LYS 43 1HZ LYS 43 6.074 11.525 21.937 390 HZ2 LYS 43 2HZ LYS 43 5.691 10.361 20.771 391 HZ3 LYS 43 3HZ LYS 43 4.931 11.869 20.737 392 H ALA 44 H ALA 44 10.252 13.703 20.639 393 HA ALA 44 HA ALA 44 11.264 12.867 23.178 394 HB1 ALA 44 1HB ALA 44 10.498 11.275 21.487 395 HB2 ALA 44 2HB ALA 44 12.176 10.963 21.939 396 HB3 ALA 44 3HB ALA 44 11.806 11.773 20.412 397 H LYS 45 H LYS 45 12.503 15.170 21.008 398 HA LYS 45 HA LYS 45 15.321 14.718 21.569 399 HB2 LYS 45 2HB LYS 45 15.796 16.752 20.375 400 HB3 LYS 45 3HB LYS 45 14.522 15.940 19.475 401 HG2 LYS 45 2HG LYS 45 12.861 17.487 20.272 402 HG3 LYS 45 3HG LYS 45 13.967 18.167 21.454 403 HD2 LYS 45 2HD LYS 45 13.791 19.772 19.712 404 HD3 LYS 45 3HD LYS 45 15.370 19.024 19.514 405 HE2 LYS 45 2HE LYS 45 12.954 18.138 17.914 406 HE3 LYS 45 3HE LYS 45 13.983 19.471 17.396 407 HZ1 LYS 45 1HZ LYS 45 14.884 16.673 17.842 408 HZ2 LYS 45 2HZ LYS 45 15.864 17.959 17.353 409 HZ3 LYS 45 3HZ LYS 45 14.627 17.411 16.343 410 H ASN 46 H ASN 46 12.715 15.936 23.319 411 HA ASN 46 HA ASN 46 12.386 16.985 25.272 412 HB2 ASN 46 2HB ASN 46 15.369 16.588 25.784 413 HB3 ASN 46 3HB ASN 46 14.161 17.001 26.997 414 HD21 ASN 46 1HD2 ASN 46 15.492 14.455 25.037 415 HD22 ASN 46 2HD2 ASN 46 14.649 13.157 25.803 416 H SER 47 H SER 47 11.949 18.786 23.816 417 HA SER 47 HA SER 47 13.973 20.938 23.697 418 HB2 SER 47 2HB SER 47 12.563 21.761 21.769 419 HB3 SER 47 3HB SER 47 13.237 20.154 21.514 420 HG SER 47 HG SER 47 10.580 20.887 22.117 421 H LYS 48 H LYS 48 12.723 23.165 23.324 422 HA LYS 48 HA LYS 48 11.119 23.837 25.595 423 HB2 LYS 48 2HB LYS 48 11.712 25.361 23.020 424 HB3 LYS 48 3HB LYS 48 10.829 26.045 24.382 425 HG2 LYS 48 2HG LYS 48 12.827 25.735 25.820 426 HG3 LYS 48 3HG LYS 48 13.716 25.092 24.437 427 HD2 LYS 48 2HD LYS 48 12.560 27.904 24.657 428 HD3 LYS 48 3HD LYS 48 14.256 27.473 24.879 429 HE2 LYS 48 2HE LYS 48 12.694 27.115 22.293 430 HE3 LYS 48 3HE LYS 48 13.809 28.436 22.639 431 HZ1 LYS 48 1HZ LYS 48 14.832 26.680 21.319 432 HZ2 LYS 48 2HZ LYS 48 14.557 25.563 22.555 433 HZ3 LYS 48 3HZ LYS 48 15.610 26.860 22.808 434 H LYS 49 H LYS 49 8.974 25.068 25.150 435 HA LYS 49 HA LYS 49 7.068 23.172 24.210 436 HB2 LYS 49 2HB LYS 49 6.671 26.079 25.002 437 HB3 LYS 49 3HB LYS 49 5.390 24.881 24.805 438 HG2 LYS 49 2HG LYS 49 6.289 23.580 26.683 439 HG3 LYS 49 3HG LYS 49 7.621 24.731 26.858 440 HD2 LYS 49 2HD LYS 49 5.873 25.193 28.518 441 HD3 LYS 49 3HD LYS 49 6.014 26.525 27.372 442 HE2 LYS 49 2HE LYS 49 4.027 25.674 26.157 443 HE3 LYS 49 3HE LYS 49 3.886 24.360 27.327 444 HZ1 LYS 49 1HZ LYS 49 3.511 25.995 29.061 445 HZ2 LYS 49 2HZ LYS 49 2.380 26.178 27.821 446 HZ3 LYS 49 3HZ LYS 49 3.672 27.259 27.949 447 H ALA 50 H ALA 50 5.337 23.690 22.694 448 HA ALA 50 HA ALA 50 6.481 24.722 20.186 449 HB1 ALA 50 1HB ALA 50 5.685 22.388 20.217 450 HB2 ALA 50 2HB ALA 50 4.761 23.368 19.079 451 HB3 ALA 50 3HB ALA 50 4.063 22.938 20.642 452 H ILE 51 H ILE 51 5.903 26.714 19.548 453 HA ILE 51 HA ILE 51 3.805 28.242 20.766 454 HB ILE 51 HB ILE 51 4.364 30.003 19.007 455 HG12 ILE 51 2HG1 ILE 51 6.660 29.608 17.830 456 HG13 ILE 51 3HG1 ILE 51 6.392 27.897 18.121 457 HG21 ILE 51 1HG2 ILE 51 6.556 30.554 20.009 458 HG22 ILE 51 2HG2 ILE 51 6.658 28.919 20.668 459 HG23 ILE 51 3HG2 ILE 51 5.389 30.013 21.220 460 HD11 ILE 51 1HD1 ILE 51 4.442 27.939 16.688 461 HD12 ILE 51 2HD1 ILE 51 5.842 28.597 15.843 462 HD13 ILE 51 3HD1 ILE 51 4.606 29.684 16.474 463 H GLU 52 H GLU 52 3.851 26.047 18.195 464 HA GLU 52 HA GLU 52 1.487 26.918 16.806 465 HB2 GLU 52 2HB GLU 52 1.618 24.722 15.707 466 HB3 GLU 52 3HB GLU 52 3.198 25.495 15.737 467 HG2 GLU 52 2HG GLU 52 3.666 24.062 17.829 468 HG3 GLU 52 3HG GLU 52 2.225 23.148 17.381 469 H ASP 53 H ASP 53 -0.581 25.775 16.860 470 HA ASP 53 HA ASP 53 -1.212 23.946 18.993 471 HB2 ASP 53 2HB ASP 53 -1.168 26.118 20.245 472 HB3 ASP 53 3HB ASP 53 -2.383 26.767 19.152 473 H GLY 54 H GLY 54 -3.009 22.815 18.522 474 HA2 GLY 54 2HA GLY 54 -4.458 23.398 16.035 475 HA3 GLY 54 3HA GLY 54 -4.496 21.901 16.962 476 H VAL 55 H VAL 55 -5.314 25.342 17.315 477 HA VAL 55 HA VAL 55 -7.071 25.028 19.483 478 HB VAL 55 HB VAL 55 -6.016 27.164 19.068 479 HG11 VAL 55 1HG1 VAL 55 -6.619 28.659 17.206 480 HG12 VAL 55 2HG1 VAL 55 -7.660 27.406 16.529 481 HG13 VAL 55 3HG1 VAL 55 -5.915 27.151 16.612 482 HG21 VAL 55 1HG2 VAL 55 -9.028 27.454 18.756 483 HG22 VAL 55 2HG2 VAL 55 -7.925 28.702 19.343 484 HG23 VAL 55 3HG2 VAL 55 -8.166 27.226 20.280 485 HA PRO 56 HA PRO 56 -10.683 23.458 17.151 486 HB2 PRO 56 2HB PRO 56 -12.037 23.376 19.796 487 HB3 PRO 56 3HB PRO 56 -11.623 22.031 18.715 488 HG2 PRO 56 2HG PRO 56 -10.358 22.399 21.065 489 HG3 PRO 56 3HG PRO 56 -9.530 21.731 19.640 490 HD2 PRO 56 2HD PRO 56 -9.446 24.556 20.706 491 HD3 PRO 56 3HD PRO 56 -8.113 23.529 20.129 492 H GLN 57 H GLN 57 -13.186 23.982 17.584 493 HA GLN 57 HA GLN 57 -13.426 26.931 17.628 494 HB2 GLN 57 2HB GLN 57 -15.345 26.680 16.073 495 HB3 GLN 57 3HB GLN 57 -13.822 26.150 15.388 496 HG2 GLN 57 2HG GLN 57 -15.944 24.275 16.463 497 HG3 GLN 57 3HG GLN 57 -15.811 24.745 14.776 498 HE21 GLN 57 1HE2 GLN 57 -14.002 23.963 13.561 499 HE22 GLN 57 2HE2 GLN 57 -13.113 22.575 14.065 500 HA PRO 58 HA PRO 58 -15.073 25.638 21.579 501 HB2 PRO 58 2HB PRO 58 -16.007 28.144 22.437 502 HB3 PRO 58 3HB PRO 58 -14.320 27.603 22.541 503 HG2 PRO 58 2HG PRO 58 -15.623 29.287 20.414 504 HG3 PRO 58 3HG PRO 58 -14.058 29.523 21.237 505 HD2 PRO 58 2HD PRO 58 -14.104 28.470 18.788 506 HD3 PRO 58 3HD PRO 58 -13.008 27.793 20.018 507 H GLU 59 H GLU 59 -17.148 27.858 19.741 508 HA GLU 59 HA GLU 59 -19.571 26.849 21.047 509 HB2 GLU 59 2HB GLU 59 -19.189 29.203 19.144 510 HB3 GLU 59 3HB GLU 59 -20.659 28.834 20.047 511 HG2 GLU 59 2HG GLU 59 -19.445 29.208 22.175 512 HG3 GLU 59 3HG GLU 59 -17.977 29.581 21.276 513 H ALA 60 H ALA 60 -18.008 26.934 17.883 514 HA ALA 60 HA ALA 60 -20.345 26.047 16.402 515 HB1 ALA 60 1HB ALA 60 -18.719 27.565 15.371 516 HB2 ALA 60 2HB ALA 60 -18.848 26.067 14.449 517 HB3 ALA 60 3HB ALA 60 -17.460 26.338 15.508 518 H LEU 61 H LEU 61 -17.909 24.454 18.210 519 HA LEU 61 HA LEU 61 -18.272 21.859 16.913 520 HB2 LEU 61 2HB LEU 61 -16.096 22.742 18.059 521 HB3 LEU 61 3HB LEU 61 -16.885 22.361 19.571 522 HG LEU 61 HG LEU 61 -16.237 20.311 17.403 523 HD11 LEU 61 1HD1 LEU 61 -14.404 19.570 18.876 524 HD12 LEU 61 2HD1 LEU 61 -14.739 20.919 19.967 525 HD13 LEU 61 3HD1 LEU 61 -14.181 21.229 18.322 526 HD21 LEU 61 1HD2 LEU 61 -18.091 19.544 18.816 527 HD22 LEU 61 2HD2 LEU 61 -17.147 19.866 20.271 528 HD23 LEU 61 3HD2 LEU 61 -16.640 18.601 19.146 529 H GLU 62 H GLU 62 -20.598 22.006 17.149 530 HA GLU 62 HA GLU 62 -21.538 20.622 19.492 531 HB2 GLU 62 2HB GLU 62 -21.612 23.061 20.196 532 HB3 GLU 62 3HB GLU 62 -22.762 23.349 18.894 533 HG2 GLU 62 2HG GLU 62 -23.914 23.108 21.041 534 HG3 GLU 62 3HG GLU 62 -24.368 21.814 19.933 535 H1 MET 1 1H MET 1 12.091 -5.243 28.840 536 H2 MET 1 2H MET 1 12.364 -6.827 28.311 537 H3 MET 1 3H MET 1 11.084 -5.927 27.670 538 HA MET 1 HA MET 1 13.962 -5.317 27.348 539 HB2 MET 1 2HB MET 1 11.934 -6.337 25.307 540 HB3 MET 1 3HB MET 1 13.597 -5.887 24.942 541 HG2 MET 1 2HG MET 1 14.400 -7.717 26.400 542 HG3 MET 1 3HG MET 1 12.727 -8.173 26.729 543 HE1 MET 1 1HE MET 1 13.973 -11.105 24.412 544 HE2 MET 1 2HE MET 1 13.116 -10.719 25.906 545 HE3 MET 1 3HE MET 1 14.818 -10.290 25.726 546 H GLU 2 H GLU 2 10.607 -4.505 26.476 547 HA GLU 2 HA GLU 2 11.336 -1.644 26.585 548 HB2 GLU 2 2HB GLU 2 10.949 -2.293 24.181 549 HB3 GLU 2 3HB GLU 2 9.334 -2.848 24.609 550 HG2 GLU 2 2HG GLU 2 8.817 -0.478 25.369 551 HG3 GLU 2 3HG GLU 2 10.380 0.006 24.711 552 H GLU 3 H GLU 3 10.646 -1.562 28.690 553 HA GLU 3 HA GLU 3 8.050 -2.554 29.536 554 HB2 GLU 3 2HB GLU 3 9.999 -0.821 31.117 555 HB3 GLU 3 3HB GLU 3 8.709 -1.835 31.760 556 HG2 GLU 3 2HG GLU 3 11.300 -2.751 30.475 557 HG3 GLU 3 3HG GLU 3 10.839 -2.905 32.166 558 H LEU 4 H LEU 4 9.551 0.482 28.660 559 HA LEU 4 HA LEU 4 7.007 1.954 28.992 560 HB2 LEU 4 2HB LEU 4 9.799 2.968 29.695 561 HB3 LEU 4 3HB LEU 4 8.328 3.927 29.754 562 HG LEU 4 HG LEU 4 8.870 1.492 31.506 563 HD11 LEU 4 1HD1 LEU 4 9.170 3.053 33.363 564 HD12 LEU 4 2HD1 LEU 4 9.016 4.423 32.259 565 HD13 LEU 4 3HD1 LEU 4 10.380 3.312 32.107 566 HD21 LEU 4 1HD2 LEU 4 6.610 3.519 31.612 567 HD22 LEU 4 2HD2 LEU 4 6.886 2.210 32.766 568 HD23 LEU 4 3HD2 LEU 4 6.482 1.834 31.095 569 H SER 5 H SER 5 6.502 3.285 27.324 570 HA SER 5 HA SER 5 8.262 3.360 24.956 571 HB2 SER 5 2HB SER 5 5.259 3.881 25.174 572 HB3 SER 5 3HB SER 5 6.197 3.784 23.679 573 HG SER 5 HG SER 5 5.726 1.701 25.557 574 H GLY 6 H GLY 6 9.023 5.297 24.242 575 HA2 GLY 6 2HA GLY 6 7.901 7.863 24.961 576 HA3 GLY 6 3HA GLY 6 9.389 7.494 25.832 577 H LYS 7 H LYS 7 10.959 6.263 24.091 578 HA LYS 7 HA LYS 7 11.816 8.177 22.201 579 HB2 LYS 7 2HB LYS 7 13.412 6.518 21.385 580 HB3 LYS 7 3HB LYS 7 13.394 6.518 23.137 581 HG2 LYS 7 2HG LYS 7 11.928 4.444 21.469 582 HG3 LYS 7 3HG LYS 7 13.602 4.259 21.994 583 HD2 LYS 7 2HD LYS 7 12.814 4.473 24.375 584 HD3 LYS 7 3HD LYS 7 11.150 4.483 23.780 585 HE2 LYS 7 2HE LYS 7 13.160 2.230 23.439 586 HE3 LYS 7 3HE LYS 7 11.793 2.243 24.555 587 HZ1 LYS 7 1HZ LYS 7 11.553 2.390 21.600 588 HZ2 LYS 7 2HZ LYS 7 10.283 2.265 22.705 589 HZ3 LYS 7 3HZ LYS 7 11.362 0.981 22.512 590 HA PRO 8 HA PRO 8 9.102 7.298 18.775 591 HB2 PRO 8 2HB PRO 8 10.484 8.318 16.651 592 HB3 PRO 8 3HB PRO 8 9.834 9.362 17.932 593 HG2 PRO 8 2HG PRO 8 12.646 8.407 17.531 594 HG3 PRO 8 3HG PRO 8 12.058 10.006 18.041 595 HD2 PRO 8 2HD PRO 8 13.007 8.092 19.797 596 HD3 PRO 8 3HD PRO 8 11.880 9.382 20.251 597 H LEU 9 H LEU 9 9.467 6.487 16.252 598 HA LEU 9 HA LEU 9 10.321 3.815 16.349 599 HB2 LEU 9 2HB LEU 9 10.337 4.068 13.730 600 HB3 LEU 9 3HB LEU 9 8.832 4.133 14.619 601 HG LEU 9 HG LEU 9 8.953 6.682 14.474 602 HD11 LEU 9 1HD1 LEU 9 10.333 7.684 12.711 603 HD12 LEU 9 2HD1 LEU 9 11.128 6.127 12.455 604 HD13 LEU 9 3HD1 LEU 9 11.316 6.970 13.991 605 HD21 LEU 9 1HD2 LEU 9 7.447 5.393 13.053 606 HD22 LEU 9 2HD2 LEU 9 8.733 5.166 11.864 607 HD23 LEU 9 3HD2 LEU 9 8.096 6.782 12.181 608 H SER 10 H SER 10 12.233 2.857 16.024 609 HA SER 10 HA SER 10 14.647 4.350 16.327 610 HB2 SER 10 2HB SER 10 14.300 1.370 15.738 611 HB3 SER 10 3HB SER 10 15.741 2.148 16.405 612 HG SER 10 HG SER 10 14.482 1.192 18.031 613 H TYR 11 H TYR 11 16.630 3.587 14.852 614 HA TYR 11 HA TYR 11 16.386 4.679 12.307 615 HB2 TYR 11 2HB TYR 11 18.574 4.381 13.407 616 HB3 TYR 11 3HB TYR 11 18.428 2.629 13.286 617 HD1 TYR 11 HD1 TYR 11 18.787 5.754 11.270 618 HD2 TYR 11 HD2 TYR 11 19.108 1.488 11.249 619 HE1 TYR 11 HE1 TYR 11 19.854 5.843 9.062 620 HE2 TYR 11 HE2 TYR 11 20.173 1.579 9.037 621 HH TYR 11 HH TYR 11 20.210 3.170 7.079 622 H ALA 12 H ALA 12 16.653 1.213 13.120 623 HA ALA 12 HA ALA 12 16.184 0.187 10.561 624 HB1 ALA 12 1HB ALA 12 17.237 -1.095 12.364 625 HB2 ALA 12 2HB ALA 12 15.858 -1.969 11.694 626 HB3 ALA 12 3HB ALA 12 15.710 -1.138 13.249 627 H GLU 13 H GLU 13 13.919 1.114 13.130 628 HA GLU 13 HA GLU 13 11.611 -0.128 12.005 629 HB2 GLU 13 2HB GLU 13 11.707 2.256 13.890 630 HB3 GLU 13 3HB GLU 13 10.296 1.253 13.554 631 HG2 GLU 13 2HG GLU 13 12.798 0.530 15.078 632 HG3 GLU 13 3HG GLU 13 11.137 0.562 15.661 633 H LYS 14 H LYS 14 12.986 3.118 11.772 634 HA LYS 14 HA LYS 14 10.954 4.324 10.218 635 HB2 LYS 14 2HB LYS 14 12.560 5.644 11.490 636 HB3 LYS 14 3HB LYS 14 13.901 5.001 10.562 637 HG2 LYS 14 2HG LYS 14 11.791 6.456 9.012 638 HG3 LYS 14 3HG LYS 14 12.773 7.433 10.102 639 HD2 LYS 14 2HD LYS 14 13.898 5.606 7.930 640 HD3 LYS 14 3HD LYS 14 13.650 7.348 7.749 641 HE2 LYS 14 2HE LYS 14 15.223 7.720 9.666 642 HE3 LYS 14 3HE LYS 14 15.525 5.981 9.715 643 HZ1 LYS 14 1HZ LYS 14 17.223 7.203 8.482 644 HZ2 LYS 14 2HZ LYS 14 16.058 7.737 7.385 645 HZ3 LYS 14 3HZ LYS 14 16.412 6.095 7.497 646 H GLU 15 H GLU 15 13.939 2.640 9.413 647 HA GLU 15 HA GLU 15 13.975 3.105 6.628 648 HB2 GLU 15 2HB GLU 15 15.192 0.886 8.309 649 HB3 GLU 15 3HB GLU 15 15.568 1.136 6.609 650 HG2 GLU 15 2HG GLU 15 16.041 3.239 8.729 651 HG3 GLU 15 3HG GLU 15 17.232 2.016 8.303 652 H LYS 16 H LYS 16 12.965 0.221 8.502 653 HA LYS 16 HA LYS 16 11.984 -1.265 6.309 654 HB2 LYS 16 2HB LYS 16 11.001 -2.787 7.881 655 HB3 LYS 16 3HB LYS 16 12.508 -2.223 8.594 656 HG2 LYS 16 2HG LYS 16 11.227 -0.641 10.009 657 HG3 LYS 16 3HG LYS 16 9.726 -1.244 9.310 658 HD2 LYS 16 2HD LYS 16 10.095 -2.252 11.505 659 HD3 LYS 16 3HD LYS 16 10.194 -3.488 10.253 660 HE2 LYS 16 2HE LYS 16 12.600 -3.577 10.435 661 HE3 LYS 16 3HE LYS 16 12.631 -2.148 11.468 662 HZ1 LYS 16 1HZ LYS 16 11.391 -4.748 12.210 663 HZ2 LYS 16 2HZ LYS 16 11.516 -3.381 13.200 664 HZ3 LYS 16 3HZ LYS 16 12.909 -4.211 12.725 665 H LEU 17 H LEU 17 10.518 1.282 8.246 666 HA LEU 17 HA LEU 17 7.831 0.772 7.403 667 HB2 LEU 17 2HB LEU 17 8.431 1.879 9.554 668 HB3 LEU 17 3HB LEU 17 8.959 3.292 8.657 669 HG LEU 17 HG LEU 17 6.698 3.763 7.905 670 HD11 LEU 17 1HD1 LEU 17 5.940 1.491 7.459 671 HD12 LEU 17 2HD1 LEU 17 4.794 2.319 8.509 672 HD13 LEU 17 3HD1 LEU 17 5.905 1.134 9.192 673 HD21 LEU 17 1HD2 LEU 17 7.247 4.560 10.167 674 HD22 LEU 17 2HD2 LEU 17 6.635 3.053 10.855 675 HD23 LEU 17 3HD2 LEU 17 5.534 4.158 10.027 676 H LYS 18 H LYS 18 10.298 3.194 6.389 677 HA LYS 18 HA LYS 18 8.503 4.481 4.569 678 HB2 LYS 18 2HB LYS 18 10.505 5.720 3.733 679 HB3 LYS 18 3HB LYS 18 10.294 5.804 5.470 680 HG2 LYS 18 2HG LYS 18 12.594 5.552 5.258 681 HG3 LYS 18 3HG LYS 18 12.062 3.900 5.571 682 HD2 LYS 18 2HD LYS 18 12.177 3.436 3.110 683 HD3 LYS 18 3HD LYS 18 12.772 5.078 2.849 684 HE2 LYS 18 2HE LYS 18 14.764 4.572 4.211 685 HE3 LYS 18 3HE LYS 18 14.160 2.939 4.504 686 HZ1 LYS 18 1HZ LYS 18 14.945 4.082 1.874 687 HZ2 LYS 18 2HZ LYS 18 14.291 2.540 2.102 688 HZ3 LYS 18 3HZ LYS 18 15.793 2.921 2.766 689 H GLU 19 H GLU 19 10.778 1.786 4.249 690 HA GLU 19 HA GLU 19 10.489 1.599 1.380 691 HB2 GLU 19 2HB GLU 19 11.753 -0.437 1.487 692 HB3 GLU 19 3HB GLU 19 12.490 0.705 2.606 693 HG2 GLU 19 2HG GLU 19 11.393 -0.434 4.493 694 HG3 GLU 19 3HG GLU 19 10.648 -1.579 3.383 695 H LYS 20 H LYS 20 8.810 0.239 4.201 696 HA LYS 20 HA LYS 20 7.042 -1.515 2.919 697 HB2 LYS 20 2HB LYS 20 6.799 -1.676 5.219 698 HB3 LYS 20 3HB LYS 20 6.966 0.053 5.467 699 HG2 LYS 20 2HG LYS 20 4.665 0.449 4.832 700 HG3 LYS 20 3HG LYS 20 4.455 -1.238 4.340 701 HD2 LYS 20 2HD LYS 20 5.017 -0.303 7.183 702 HD3 LYS 20 3HD LYS 20 3.419 -0.691 6.549 703 HE2 LYS 20 2HE LYS 20 5.736 -2.645 6.756 704 HE3 LYS 20 3HE LYS 20 4.367 -2.552 7.867 705 HZ1 LYS 20 1HZ LYS 20 4.029 -4.284 6.248 706 HZ2 LYS 20 2HZ LYS 20 4.221 -3.197 4.972 707 HZ3 LYS 20 3HZ LYS 20 2.894 -3.055 6.002 708 H LEU 21 H LEU 21 6.762 1.977 3.513 709 HA LEU 21 HA LEU 21 4.202 2.368 2.411 710 HB2 LEU 21 2HB LEU 21 6.471 4.386 2.633 711 HB3 LEU 21 3HB LEU 21 4.771 4.777 2.396 712 HG LEU 21 HG LEU 21 5.981 3.502 4.880 713 HD11 LEU 21 1HD1 LEU 21 6.543 5.858 4.686 714 HD12 LEU 21 2HD1 LEU 21 5.425 5.576 6.016 715 HD13 LEU 21 3HD1 LEU 21 4.835 6.268 4.501 716 HD21 LEU 21 1HD2 LEU 21 3.771 3.736 5.909 717 HD22 LEU 21 2HD2 LEU 21 3.727 2.640 4.533 718 HD23 LEU 21 3HD2 LEU 21 3.100 4.284 4.370 719 H ALA 22 H ALA 22 7.440 2.625 1.005 720 HA ALA 22 HA ALA 22 6.653 3.534 -1.584 721 HB1 ALA 22 1HB ALA 22 9.215 2.158 -0.699 722 HB2 ALA 22 2HB ALA 22 8.916 3.896 -0.681 723 HB3 ALA 22 3HB ALA 22 8.981 3.032 -2.218 724 H PHE 23 H PHE 23 7.211 0.335 -0.164 725 HA PHE 23 HA PHE 23 7.239 -1.180 -2.564 726 HB2 PHE 23 2HB PHE 23 8.171 -2.077 -0.476 727 HB3 PHE 23 3HB PHE 23 6.595 -2.013 0.297 728 HD1 PHE 23 HD1 PHE 23 8.477 -3.679 -2.486 729 HD2 PHE 23 HD2 PHE 23 5.135 -3.880 0.184 730 HE1 PHE 23 HE1 PHE 23 8.026 -5.988 -3.206 731 HE2 PHE 23 HE2 PHE 23 4.691 -6.170 -0.544 732 HZ PHE 23 HZ PHE 23 6.134 -7.240 -2.237 733 H LEU 24 H LEU 24 4.686 -0.646 -0.144 734 HA LEU 24 HA LEU 24 2.681 -2.026 -1.570 735 HB2 LEU 24 2HB LEU 24 1.113 -1.182 0.080 736 HB3 LEU 24 3HB LEU 24 2.561 -1.800 0.836 737 HG LEU 24 HG LEU 24 3.280 0.716 1.021 738 HD11 LEU 24 1HD1 LEU 24 1.575 1.697 -0.415 739 HD12 LEU 24 2HD1 LEU 24 1.428 2.318 1.223 740 HD13 LEU 24 3HD1 LEU 24 0.301 1.090 0.643 741 HD21 LEU 24 1HD2 LEU 24 2.093 0.980 3.164 742 HD22 LEU 24 2HD2 LEU 24 2.734 -0.650 2.973 743 HD23 LEU 24 3HD2 LEU 24 1.010 -0.349 2.731 744 H LYS 25 H LYS 25 3.761 1.322 -1.591 745 HA LYS 25 HA LYS 25 1.610 2.464 -3.037 746 HB2 LYS 25 2HB LYS 25 3.185 3.819 -1.789 747 HB3 LYS 25 3HB LYS 25 4.524 3.285 -2.797 748 HG2 LYS 25 2HG LYS 25 3.646 4.503 -4.704 749 HG3 LYS 25 3HG LYS 25 2.182 4.928 -3.813 750 HD2 LYS 25 2HD LYS 25 5.010 5.844 -3.150 751 HD3 LYS 25 3HD LYS 25 3.753 6.830 -3.903 752 HE2 LYS 25 2HE LYS 25 2.362 6.577 -1.855 753 HE3 LYS 25 3HE LYS 25 3.657 5.644 -1.106 754 HZ1 LYS 25 1HZ LYS 25 5.084 7.575 -1.246 755 HZ2 LYS 25 2HZ LYS 25 3.674 7.936 -0.390 756 HZ3 LYS 25 3HZ LYS 25 3.853 8.473 -1.985 757 H LYS 26 H LYS 26 4.726 1.091 -4.171 758 HA LYS 26 HA LYS 26 4.301 1.872 -6.890 759 HB2 LYS 26 2HB LYS 26 6.331 0.612 -7.428 760 HB3 LYS 26 3HB LYS 26 6.581 1.609 -6.000 761 HG2 LYS 26 2HG LYS 26 6.307 -0.384 -4.560 762 HG3 LYS 26 3HG LYS 26 6.071 -1.384 -5.996 763 HD2 LYS 26 2HD LYS 26 8.370 -0.824 -6.756 764 HD3 LYS 26 3HD LYS 26 8.601 0.178 -5.321 765 HE2 LYS 26 2HE LYS 26 8.398 -1.794 -3.881 766 HE3 LYS 26 3HE LYS 26 8.063 -2.812 -5.283 767 HZ1 LYS 26 1HZ LYS 26 10.265 -2.330 -6.121 768 HZ2 LYS 26 2HZ LYS 26 10.363 -2.995 -4.571 769 HZ3 LYS 26 3HZ LYS 26 10.590 -1.335 -4.795 770 H GLU 27 H GLU 27 3.806 -1.164 -5.064 771 HA GLU 27 HA GLU 27 3.052 -2.736 -7.324 772 HB2 GLU 27 2HB GLU 27 2.198 -4.390 -5.776 773 HB3 GLU 27 3HB GLU 27 3.720 -3.776 -5.149 774 HG2 GLU 27 2HG GLU 27 2.586 -2.468 -3.475 775 HG3 GLU 27 3HG GLU 27 1.011 -2.823 -4.178 776 H TYR 28 H TYR 28 1.265 -0.773 -4.962 777 HA TYR 28 HA TYR 28 -1.378 -1.229 -5.682 778 HB2 TYR 28 2HB TYR 28 -0.848 0.032 -3.697 779 HB3 TYR 28 3HB TYR 28 0.036 1.240 -4.608 780 HD1 TYR 28 HD1 TYR 28 -3.370 0.018 -3.743 781 HD2 TYR 28 HD2 TYR 28 -1.116 3.144 -5.588 782 HE1 TYR 28 HE1 TYR 28 -5.371 1.432 -3.778 783 HE2 TYR 28 HE2 TYR 28 -3.117 4.560 -5.627 784 HH TYR 28 HH TYR 28 -5.546 4.324 -5.589 785 H SER 29 H SER 29 0.886 1.211 -6.920 786 HA SER 29 HA SER 29 -0.911 2.517 -8.641 787 HB2 SER 29 2HB SER 29 1.239 3.480 -7.815 788 HB3 SER 29 3HB SER 29 2.124 2.360 -8.851 789 HG SER 29 HG SER 29 0.932 4.716 -9.462 790 H ARG 30 H ARG 30 1.443 -0.099 -9.216 791 HA ARG 30 HA ARG 30 1.070 -0.311 -12.026 792 HB2 ARG 30 2HB ARG 30 3.091 -1.113 -10.901 793 HB3 ARG 30 3HB ARG 30 2.156 -2.290 -9.984 794 HG2 ARG 30 2HG ARG 30 1.608 -3.477 -12.101 795 HG3 ARG 30 3HG ARG 30 2.583 -2.308 -12.995 796 HD2 ARG 30 2HD ARG 30 4.597 -3.048 -11.840 797 HD3 ARG 30 3HD ARG 30 3.650 -4.118 -10.803 798 HE ARG 30 HE ARG 30 3.387 -4.659 -13.632 799 HH11 ARG 30 1HH1 ARG 30 5.278 -5.386 -10.748 800 HH12 ARG 30 2HH1 ARG 30 5.872 -6.893 -11.362 801 HH21 ARG 30 1HH2 ARG 30 4.190 -6.654 -14.430 802 HH22 ARG 30 2HH2 ARG 30 5.254 -7.609 -13.453 803 H THR 31 H THR 31 -0.260 -2.232 -9.324 804 HA THR 31 HA THR 31 -1.589 -4.057 -11.086 805 HB THR 31 HB THR 31 -0.575 -4.770 -8.898 806 HG1 THR 31 HG1 THR 31 -3.334 -5.390 -9.281 807 HG21 THR 31 1HG2 THR 31 -3.086 -3.584 -7.662 808 HG22 THR 31 2HG2 THR 31 -1.460 -2.926 -7.464 809 HG23 THR 31 3HG2 THR 31 -1.850 -4.527 -6.832 810 H LEU 32 H LEU 32 -2.573 -1.239 -9.195 811 HA LEU 32 HA LEU 32 -5.372 -1.493 -9.753 812 HB2 LEU 32 2HB LEU 32 -4.565 -0.096 -7.898 813 HB3 LEU 32 3HB LEU 32 -3.754 0.971 -9.019 814 HG LEU 32 HG LEU 32 -6.755 0.685 -9.295 815 HD11 LEU 32 1HD1 LEU 32 -7.187 2.420 -7.619 816 HD12 LEU 32 2HD1 LEU 32 -5.482 2.420 -7.159 817 HD13 LEU 32 3HD1 LEU 32 -6.475 0.994 -6.869 818 HD21 LEU 32 1HD2 LEU 32 -5.527 2.086 -10.908 819 HD22 LEU 32 2HD2 LEU 32 -4.899 3.070 -9.586 820 HD23 LEU 32 3HD2 LEU 32 -6.631 3.059 -9.936 821 H ALA 33 H ALA 33 -2.599 0.034 -11.392 822 HA ALA 33 HA ALA 33 -3.896 1.425 -13.429 823 HB1 ALA 33 1HB ALA 33 -1.272 -0.099 -13.652 824 HB2 ALA 33 2HB ALA 33 -1.463 1.544 -13.030 825 HB3 ALA 33 3HB ALA 33 -1.814 1.200 -14.723 826 H ARG 34 H ARG 34 -2.787 -1.971 -13.446 827 HA ARG 34 HA ARG 34 -3.845 -2.582 -16.026 828 HB2 ARG 34 2HB ARG 34 -3.185 -4.889 -15.582 829 HB3 ARG 34 3HB ARG 34 -1.907 -3.780 -15.100 830 HG2 ARG 34 2HG ARG 34 -2.709 -4.002 -12.724 831 HG3 ARG 34 3HG ARG 34 -3.826 -5.253 -13.274 832 HD2 ARG 34 2HD ARG 34 -0.800 -5.334 -13.471 833 HD3 ARG 34 3HD ARG 34 -1.792 -6.229 -12.310 834 HE ARG 34 HE ARG 34 -2.341 -6.714 -15.141 835 HH11 ARG 34 1HH1 ARG 34 -0.688 -7.882 -12.247 836 HH12 ARG 34 2HH1 ARG 34 -0.520 -9.492 -12.864 837 HH21 ARG 34 1HH2 ARG 34 -2.123 -8.829 -15.910 838 HH22 ARG 34 2HH2 ARG 34 -1.331 -10.029 -14.940 839 H LEU 35 H LEU 35 -5.088 -2.955 -12.712 840 HA LEU 35 HA LEU 35 -7.432 -4.424 -13.190 841 HB2 LEU 35 2HB LEU 35 -6.431 -3.637 -10.945 842 HB3 LEU 35 3HB LEU 35 -7.197 -2.093 -11.234 843 HG LEU 35 HG LEU 35 -8.760 -4.704 -10.954 844 HD11 LEU 35 1HD1 LEU 35 -9.285 -4.027 -8.652 845 HD12 LEU 35 2HD1 LEU 35 -8.197 -2.644 -8.799 846 HD13 LEU 35 3HD1 LEU 35 -7.556 -4.285 -8.867 847 HD21 LEU 35 1HD2 LEU 35 -9.698 -1.822 -10.774 848 HD22 LEU 35 2HD2 LEU 35 -10.698 -3.250 -10.480 849 HD23 LEU 35 3HD2 LEU 35 -10.042 -2.950 -12.087 850 H GLN 36 H GLN 36 -6.769 -0.930 -13.458 851 HA GLN 36 HA GLN 36 -9.360 -0.143 -14.276 852 HB2 GLN 36 2HB GLN 36 -6.695 1.258 -14.726 853 HB3 GLN 36 3HB GLN 36 -8.272 1.981 -15.042 854 HG2 GLN 36 2HG GLN 36 -7.168 1.130 -12.350 855 HG3 GLN 36 3HG GLN 36 -7.416 2.776 -12.920 856 HE21 GLN 36 1HE2 GLN 36 -8.484 1.282 -10.553 857 HE22 GLN 36 2HE2 GLN 36 -10.202 1.456 -10.632 858 H ARG 37 H ARG 37 -6.398 -0.947 -16.123 859 HA ARG 37 HA ARG 37 -7.386 -0.345 -18.691 860 HB2 ARG 37 2HB ARG 37 -5.245 -2.353 -17.878 861 HB3 ARG 37 3HB ARG 37 -5.540 -1.838 -19.539 862 HG2 ARG 37 2HG ARG 37 -4.615 -0.070 -17.248 863 HG3 ARG 37 3HG ARG 37 -3.626 -0.646 -18.589 864 HD2 ARG 37 2HD ARG 37 -4.971 0.666 -20.171 865 HD3 ARG 37 3HD ARG 37 -6.034 1.193 -18.861 866 HE ARG 37 HE ARG 37 -3.623 2.018 -17.995 867 HH11 ARG 37 1HH1 ARG 37 -5.235 2.472 -21.097 868 HH12 ARG 37 2HH1 ARG 37 -4.466 3.995 -21.405 869 HH21 ARG 37 1HH2 ARG 37 -2.631 4.001 -18.409 870 HH22 ARG 37 2HH2 ARG 37 -2.983 4.865 -19.872 871 H ALA 38 H ALA 38 -7.834 -3.176 -16.689 872 HA ALA 38 HA ALA 38 -8.943 -4.892 -18.689 873 HB1 ALA 38 1HB ALA 38 -9.615 -6.306 -16.791 874 HB2 ALA 38 2HB ALA 38 -9.219 -5.002 -15.666 875 HB3 ALA 38 3HB ALA 38 -7.944 -5.764 -16.620 876 H LYS 39 H LYS 39 -10.419 -2.887 -16.091 877 HA LYS 39 HA LYS 39 -13.127 -3.522 -16.875 878 HB2 LYS 39 2HB LYS 39 -13.811 -2.027 -15.054 879 HB3 LYS 39 3HB LYS 39 -12.553 -3.135 -14.519 880 HG2 LYS 39 2HG LYS 39 -10.871 -1.327 -14.750 881 HG3 LYS 39 3HG LYS 39 -12.141 -0.213 -15.252 882 HD2 LYS 39 2HD LYS 39 -12.024 -1.622 -12.554 883 HD3 LYS 39 3HD LYS 39 -11.488 0.032 -12.848 884 HE2 LYS 39 2HE LYS 39 -13.779 0.682 -13.459 885 HE3 LYS 39 3HE LYS 39 -14.330 -0.979 -13.226 886 HZ1 LYS 39 1HZ LYS 39 -13.262 0.848 -11.139 887 HZ2 LYS 39 2HZ LYS 39 -13.613 -0.781 -10.884 888 HZ3 LYS 39 3HZ LYS 39 -14.852 0.291 -11.288 889 H ARG 40 H ARG 40 -10.921 -1.009 -17.758 890 HA ARG 40 HA ARG 40 -12.927 0.891 -18.614 891 HB2 ARG 40 2HB ARG 40 -9.906 0.894 -18.950 892 HB3 ARG 40 3HB ARG 40 -10.951 2.169 -19.563 893 HG2 ARG 40 2HG ARG 40 -10.468 1.430 -16.660 894 HG3 ARG 40 3HG ARG 40 -9.977 2.910 -17.485 895 HD2 ARG 40 2HD ARG 40 -12.366 3.530 -17.759 896 HD3 ARG 40 3HD ARG 40 -12.839 2.052 -16.913 897 HE ARG 40 HE ARG 40 -11.053 3.615 -15.342 898 HH11 ARG 40 1HH1 ARG 40 -14.442 3.400 -16.301 899 HH12 ARG 40 2HH1 ARG 40 -15.013 4.252 -14.901 900 HH21 ARG 40 1HH2 ARG 40 -11.802 4.800 -13.567 901 HH22 ARG 40 2HH2 ARG 40 -13.503 5.053 -13.341 902 H ALA 41 H ALA 41 -10.475 -1.143 -20.234 903 HA ALA 41 HA ALA 41 -11.398 -0.532 -22.877 904 HB1 ALA 41 1HB ALA 41 -9.069 -1.161 -22.444 905 HB2 ALA 41 2HB ALA 41 -9.811 -2.279 -23.593 906 HB3 ALA 41 3HB ALA 41 -9.587 -2.761 -21.909 907 H GLU 42 H GLU 42 -11.709 -3.356 -20.716 908 HA GLU 42 HA GLU 42 -12.877 -5.295 -20.780 909 HB2 GLU 42 2HB GLU 42 -14.974 -3.368 -21.820 910 HB3 GLU 42 3HB GLU 42 -15.343 -5.039 -21.406 911 HG2 GLU 42 2HG GLU 42 -14.578 -4.593 -19.075 912 HG3 GLU 42 3HG GLU 42 -14.329 -2.899 -19.510 913 H LYS 43 H LYS 43 -11.287 -4.732 -23.104 914 HA LYS 43 HA LYS 43 -12.228 -5.518 -25.566 915 HB2 LYS 43 2HB LYS 43 -9.912 -6.148 -26.107 916 HB3 LYS 43 3HB LYS 43 -9.942 -4.666 -25.170 917 HG2 LYS 43 2HG LYS 43 -9.325 -7.386 -23.962 918 HG3 LYS 43 3HG LYS 43 -8.089 -6.298 -24.592 919 HD2 LYS 43 2HD LYS 43 -8.781 -4.576 -22.929 920 HD3 LYS 43 3HD LYS 43 -9.989 -5.694 -22.288 921 HE2 LYS 43 2HE LYS 43 -7.980 -5.671 -20.882 922 HE3 LYS 43 3HE LYS 43 -8.207 -7.253 -21.628 923 HZ1 LYS 43 1HZ LYS 43 -6.492 -6.765 -23.214 924 HZ2 LYS 43 2HZ LYS 43 -5.881 -6.446 -21.672 925 HZ3 LYS 43 3HZ LYS 43 -6.353 -5.170 -22.672 926 H ALA 44 H ALA 44 -11.649 -7.521 -22.769 927 HA ALA 44 HA ALA 44 -11.555 -10.084 -23.967 928 HB1 ALA 44 1HB ALA 44 -11.976 -10.913 -21.690 929 HB2 ALA 44 2HB ALA 44 -12.421 -9.283 -21.173 930 HB3 ALA 44 3HB ALA 44 -10.767 -9.626 -21.686 931 H LYS 45 H LYS 45 -14.250 -8.073 -22.805 932 HA LYS 45 HA LYS 45 -16.366 -9.922 -23.131 933 HB2 LYS 45 2HB LYS 45 -16.730 -7.858 -21.878 934 HB3 LYS 45 3HB LYS 45 -16.345 -6.875 -23.286 935 HG2 LYS 45 2HG LYS 45 -18.382 -7.681 -24.420 936 HG3 LYS 45 3HG LYS 45 -18.750 -8.712 -23.044 937 HD2 LYS 45 2HD LYS 45 -20.166 -6.765 -22.968 938 HD3 LYS 45 3HD LYS 45 -19.023 -6.683 -21.634 939 HE2 LYS 45 2HE LYS 45 -18.516 -5.206 -24.228 940 HE3 LYS 45 3HE LYS 45 -19.529 -4.516 -22.964 941 HZ1 LYS 45 1HZ LYS 45 -17.656 -4.693 -21.433 942 HZ2 LYS 45 2HZ LYS 45 -17.285 -3.729 -22.771 943 HZ3 LYS 45 3HZ LYS 45 -16.686 -5.301 -22.679 944 H ASN 46 H ASN 46 -14.563 -7.986 -25.358 945 HA ASN 46 HA ASN 46 -14.438 -7.740 -27.552 946 HB2 ASN 46 2HB ASN 46 -14.392 -10.175 -27.734 947 HB3 ASN 46 3HB ASN 46 -16.148 -10.255 -27.681 948 HD21 ASN 46 1HD2 ASN 46 -14.246 -7.922 -29.598 949 HD22 ASN 46 2HD2 ASN 46 -14.745 -8.544 -31.131 950 H SER 47 H SER 47 -15.503 -5.800 -27.175 951 HA SER 47 HA SER 47 -18.183 -5.523 -28.393 952 HB2 SER 47 2HB SER 47 -17.974 -3.146 -27.483 953 HB3 SER 47 3HB SER 47 -18.000 -4.400 -26.243 954 HG SER 47 HG SER 47 -15.917 -2.730 -27.051 955 H LYS 48 H LYS 48 -18.209 -3.274 -29.724 956 HA LYS 48 HA LYS 48 -16.251 -3.429 -31.836 957 HB2 LYS 48 2HB LYS 48 -18.412 -1.329 -31.331 958 HB3 LYS 48 3HB LYS 48 -17.403 -1.408 -32.776 959 HG2 LYS 48 2HG LYS 48 -18.359 -3.713 -33.211 960 HG3 LYS 48 3HG LYS 48 -19.489 -3.429 -31.883 961 HD2 LYS 48 2HD LYS 48 -19.270 -1.822 -34.463 962 HD3 LYS 48 3HD LYS 48 -20.564 -2.943 -34.030 963 HE2 LYS 48 2HE LYS 48 -19.931 -0.306 -32.654 964 HE3 LYS 48 3HE LYS 48 -21.304 -0.639 -33.708 965 HZ1 LYS 48 1HZ LYS 48 -21.900 -0.711 -31.362 966 HZ2 LYS 48 2HZ LYS 48 -20.802 -1.962 -31.100 967 HZ3 LYS 48 3HZ LYS 48 -22.140 -2.211 -32.095 968 H LYS 49 H LYS 49 -14.950 -1.589 -32.524 969 HA LYS 49 HA LYS 49 -13.188 -0.606 -30.573 970 HB2 LYS 49 2HB LYS 49 -12.616 -0.880 -32.990 971 HB3 LYS 49 3HB LYS 49 -13.704 0.445 -33.389 972 HG2 LYS 49 2HG LYS 49 -12.164 1.833 -31.741 973 HG3 LYS 49 3HG LYS 49 -11.004 0.538 -32.039 974 HD2 LYS 49 2HD LYS 49 -10.569 2.375 -33.577 975 HD3 LYS 49 3HD LYS 49 -11.185 0.999 -34.500 976 HE2 LYS 49 2HE LYS 49 -13.433 2.040 -34.539 977 HE3 LYS 49 3HE LYS 49 -12.819 3.399 -33.597 978 HZ1 LYS 49 1HZ LYS 49 -11.542 4.142 -35.375 979 HZ2 LYS 49 2HZ LYS 49 -13.001 3.684 -36.095 980 HZ3 LYS 49 3HZ LYS 49 -11.650 2.680 -36.211 981 H ALA 50 H ALA 50 -13.216 1.236 -29.337 982 HA ALA 50 HA ALA 50 -15.504 2.845 -28.996 983 HB1 ALA 50 1HB ALA 50 -13.835 2.496 -27.218 984 HB2 ALA 50 2HB ALA 50 -14.087 4.218 -27.507 985 HB3 ALA 50 3HB ALA 50 -12.642 3.417 -28.136 986 H ILE 51 H ILE 51 -16.003 4.944 -29.653 987 HA ILE 51 HA ILE 51 -15.187 5.864 -32.173 988 HB ILE 51 HB ILE 51 -16.382 8.063 -31.484 989 HG12 ILE 51 2HG1 ILE 51 -18.026 7.635 -29.472 990 HG13 ILE 51 3HG1 ILE 51 -16.856 6.434 -28.944 991 HG21 ILE 51 1HG2 ILE 51 -18.607 7.033 -31.709 992 HG22 ILE 51 2HG2 ILE 51 -17.913 5.450 -31.356 993 HG23 ILE 51 3HG2 ILE 51 -17.440 6.312 -32.822 994 HD11 ILE 51 1HD1 ILE 51 -15.185 8.151 -28.667 995 HD12 ILE 51 2HD1 ILE 51 -16.655 8.598 -27.802 996 HD13 ILE 51 3HD1 ILE 51 -16.274 9.362 -29.343 997 H GLU 52 H GLU 52 -14.002 6.646 -28.975 998 HA GLU 52 HA GLU 52 -12.131 8.651 -29.842 999 HB2 GLU 52 2HB GLU 52 -11.108 8.270 -27.545 1000 HB3 GLU 52 3HB GLU 52 -12.796 8.764 -27.552 1001 HG2 GLU 52 2HG GLU 52 -13.544 6.534 -27.041 1002 HG3 GLU 52 3HG GLU 52 -11.930 5.875 -27.281 1003 H ASP 53 H ASP 53 -10.987 7.752 -31.571 1004 HA ASP 53 HA ASP 53 -9.670 5.255 -31.568 1005 HB2 ASP 53 2HB ASP 53 -9.242 7.778 -33.207 1006 HB3 ASP 53 3HB ASP 53 -8.234 6.354 -33.438 1007 H GLY 54 H GLY 54 -7.435 4.766 -31.425 1008 HA2 GLY 54 2HA GLY 54 -6.082 5.978 -29.183 1009 HA3 GLY 54 3HA GLY 54 -5.535 4.608 -30.143 1010 H VAL 55 H VAL 55 -6.123 8.087 -30.539 1011 HA VAL 55 HA VAL 55 -4.010 8.371 -32.496 1012 HB VAL 55 HB VAL 55 -6.080 9.607 -32.884 1013 HG11 VAL 55 1HG1 VAL 55 -5.574 11.073 -30.280 1014 HG12 VAL 55 2HG1 VAL 55 -6.861 9.899 -30.573 1015 HG13 VAL 55 3HG1 VAL 55 -6.859 11.440 -31.436 1016 HG21 VAL 55 1HG2 VAL 55 -5.197 11.892 -33.236 1017 HG22 VAL 55 2HG2 VAL 55 -4.022 10.665 -33.715 1018 HG23 VAL 55 3HG2 VAL 55 -3.824 11.524 -32.185 1019 HA PRO 56 HA PRO 56 -1.224 9.872 -29.183 1020 HB2 PRO 56 2HB PRO 56 1.083 9.011 -30.209 1021 HB3 PRO 56 3HB PRO 56 -0.097 7.826 -29.615 1022 HG2 PRO 56 2HG PRO 56 0.531 8.599 -32.444 1023 HG3 PRO 56 3HG PRO 56 0.142 7.001 -31.774 1024 HD2 PRO 56 2HD PRO 56 -1.689 8.752 -33.047 1025 HD3 PRO 56 3HD PRO 56 -2.102 7.311 -32.094 1026 H GLN 57 H GLN 57 1.047 11.123 -29.561 1027 HA GLN 57 HA GLN 57 0.693 13.119 -31.704 1028 HB2 GLN 57 2HB GLN 57 2.413 14.468 -30.537 1029 HB3 GLN 57 3HB GLN 57 0.979 14.189 -29.570 1030 HG2 GLN 57 2HG GLN 57 3.516 12.583 -29.215 1031 HG3 GLN 57 3HG GLN 57 3.236 14.104 -28.378 1032 HE21 GLN 57 1HE2 GLN 57 1.532 14.201 -26.818 1033 HE22 GLN 57 2HE2 GLN 57 0.950 12.770 -26.044 1034 HA PRO 58 HA PRO 58 3.540 10.214 -33.789 1035 HB2 PRO 58 2HB PRO 58 3.434 11.465 -36.270 1036 HB3 PRO 58 3HB PRO 58 2.189 10.345 -35.683 1037 HG2 PRO 58 2HG PRO 58 2.195 13.354 -35.602 1038 HG3 PRO 58 3HG PRO 58 0.886 12.242 -36.089 1039 HD2 PRO 58 2HD PRO 58 0.893 13.355 -33.641 1040 HD3 PRO 58 3HD PRO 58 0.367 11.670 -33.864 1041 H GLU 59 H GLU 59 3.776 13.732 -34.289 1042 HA GLU 59 HA GLU 59 6.670 13.576 -34.747 1043 HB2 GLU 59 2HB GLU 59 4.799 15.965 -34.928 1044 HB3 GLU 59 3HB GLU 59 6.483 15.929 -35.450 1045 HG2 GLU 59 2HG GLU 59 5.881 14.245 -37.175 1046 HG3 GLU 59 3HG GLU 59 4.191 14.350 -36.671 1047 H ALA 60 H ALA 60 4.459 15.679 -32.860 1048 HA ALA 60 HA ALA 60 4.744 16.995 -31.034 1049 HB1 ALA 60 1HB ALA 60 5.801 16.000 -29.044 1050 HB2 ALA 60 2HB ALA 60 6.531 14.742 -30.048 1051 HB3 ALA 60 3HB ALA 60 4.779 14.821 -29.871 1052 H LEU 61 H LEU 61 6.726 17.177 -33.315 1053 HA LEU 61 HA LEU 61 9.140 18.250 -32.003 1054 HB2 LEU 61 2HB LEU 61 9.294 16.416 -33.779 1055 HB3 LEU 61 3HB LEU 61 8.713 17.576 -34.951 1056 HG LEU 61 HG LEU 61 11.231 17.115 -34.935 1057 HD11 LEU 61 1HD1 LEU 61 11.920 19.408 -35.376 1058 HD12 LEU 61 2HD1 LEU 61 10.441 20.021 -34.631 1059 HD13 LEU 61 3HD1 LEU 61 10.356 19.059 -36.108 1060 HD21 LEU 61 1HD2 LEU 61 12.633 18.240 -33.274 1061 HD22 LEU 61 2HD2 LEU 61 11.581 17.051 -32.509 1062 HD23 LEU 61 3HD2 LEU 61 11.198 18.772 -32.390 1063 H GLU 62 H GLU 62 9.069 20.370 -31.682 1064 HA GLU 62 HA GLU 62 7.714 22.169 -33.599 1065 HB2 GLU 62 2HB GLU 62 7.045 23.534 -31.487 1066 HB3 GLU 62 3HB GLU 62 6.124 22.084 -31.861 1067 HG2 GLU 62 2HG GLU 62 7.315 20.826 -30.140 1068 HG3 GLU 62 3HG GLU 62 8.347 22.214 -29.798 Start of MODEL 3 1 H1 MET 1 1H MET 1 8.530 -14.314 -14.817 2 H2 MET 1 2H MET 1 9.858 -13.536 -14.118 3 H3 MET 1 3H MET 1 8.390 -12.720 -14.272 4 HA MET 1 HA MET 1 8.899 -15.086 -12.577 5 HB2 MET 1 2HB MET 1 9.945 -12.993 -11.712 6 HB3 MET 1 3HB MET 1 8.389 -12.183 -11.796 7 HG2 MET 1 2HG MET 1 7.502 -13.633 -10.047 8 HG3 MET 1 3HG MET 1 9.007 -14.552 -10.012 9 HE1 MET 1 1HE MET 1 7.619 -13.246 -7.384 10 HE2 MET 1 2HE MET 1 9.048 -12.613 -6.566 11 HE3 MET 1 3HE MET 1 9.105 -14.197 -7.338 12 H GLU 2 H GLU 2 6.545 -12.373 -12.905 13 HA GLU 2 HA GLU 2 4.307 -14.298 -12.551 14 HB2 GLU 2 2HB GLU 2 4.600 -11.492 -11.389 15 HB3 GLU 2 3HB GLU 2 3.121 -12.439 -11.320 16 HG2 GLU 2 2HG GLU 2 5.754 -13.199 -10.036 17 HG3 GLU 2 3HG GLU 2 4.365 -12.511 -9.198 18 H GLU 3 H GLU 3 5.616 -12.679 -14.922 19 HA GLU 3 HA GLU 3 3.771 -10.809 -15.892 20 HB2 GLU 3 2HB GLU 3 4.861 -11.035 -18.090 21 HB3 GLU 3 3HB GLU 3 6.041 -10.921 -16.805 22 HG2 GLU 3 2HG GLU 3 5.263 -13.527 -18.137 23 HG3 GLU 3 3HG GLU 3 6.596 -12.518 -18.675 24 H LEU 4 H LEU 4 1.680 -11.099 -16.382 25 HA LEU 4 HA LEU 4 0.489 -13.599 -17.191 26 HB2 LEU 4 2HB LEU 4 -0.591 -10.755 -17.006 27 HB3 LEU 4 3HB LEU 4 -1.549 -12.053 -17.693 28 HG LEU 4 HG LEU 4 -1.396 -13.269 -15.480 29 HD11 LEU 4 1HD1 LEU 4 -0.223 -10.681 -14.446 30 HD12 LEU 4 2HD1 LEU 4 0.592 -12.243 -14.531 31 HD13 LEU 4 3HD1 LEU 4 -0.788 -12.032 -13.460 32 HD21 LEU 4 1HD2 LEU 4 -3.391 -11.996 -16.096 33 HD22 LEU 4 2HD2 LEU 4 -2.694 -10.535 -15.395 34 HD23 LEU 4 3HD2 LEU 4 -3.090 -11.909 -14.361 35 H SER 5 H SER 5 -0.283 -14.160 -19.223 36 HA SER 5 HA SER 5 0.908 -12.997 -21.586 37 HB2 SER 5 2HB SER 5 0.603 -15.442 -21.356 38 HB3 SER 5 3HB SER 5 -1.147 -15.238 -21.295 39 HG SER 5 HG SER 5 0.584 -14.650 -23.470 40 H GLY 6 H GLY 6 -1.597 -11.939 -19.770 41 HA2 GLY 6 2HA GLY 6 -2.552 -9.844 -20.407 42 HA3 GLY 6 3HA GLY 6 -2.735 -10.440 -22.048 43 H LYS 7 H LYS 7 -3.610 -12.924 -19.979 44 HA LYS 7 HA LYS 7 -6.396 -12.718 -20.434 45 HB2 LYS 7 2HB LYS 7 -6.188 -14.913 -19.901 46 HB3 LYS 7 3HB LYS 7 -4.583 -14.663 -19.266 47 HG2 LYS 7 2HG LYS 7 -7.052 -14.236 -17.562 48 HG3 LYS 7 3HG LYS 7 -6.325 -15.827 -17.768 49 HD2 LYS 7 2HD LYS 7 -4.227 -15.057 -16.769 50 HD3 LYS 7 3HD LYS 7 -4.840 -13.403 -16.678 51 HE2 LYS 7 2HE LYS 7 -6.612 -14.183 -15.101 52 HE3 LYS 7 3HE LYS 7 -5.919 -15.802 -15.152 53 HZ1 LYS 7 1HZ LYS 7 -4.481 -13.380 -14.217 54 HZ2 LYS 7 2HZ LYS 7 -3.901 -14.960 -14.181 55 HZ3 LYS 7 3HZ LYS 7 -5.205 -14.523 -13.207 56 HA PRO 8 HA PRO 8 -7.579 -9.828 -17.200 57 HB2 PRO 8 2HB PRO 8 -10.203 -10.440 -16.808 58 HB3 PRO 8 3HB PRO 8 -9.651 -9.719 -18.336 59 HG2 PRO 8 2HG PRO 8 -10.131 -12.628 -17.723 60 HG3 PRO 8 3HG PRO 8 -10.730 -11.665 -19.091 61 HD2 PRO 8 2HD PRO 8 -8.552 -13.234 -19.356 62 HD3 PRO 8 3HD PRO 8 -8.645 -11.655 -20.172 63 H LEU 9 H LEU 9 -7.597 -9.799 -14.944 64 HA LEU 9 HA LEU 9 -7.026 -12.154 -13.499 65 HB2 LEU 9 2HB LEU 9 -7.493 -10.645 -11.427 66 HB3 LEU 9 3HB LEU 9 -6.139 -10.279 -12.467 67 HG LEU 9 HG LEU 9 -7.537 -8.449 -13.550 68 HD11 LEU 9 1HD1 LEU 9 -9.784 -9.165 -12.989 69 HD12 LEU 9 2HD1 LEU 9 -9.483 -7.565 -12.317 70 HD13 LEU 9 3HD1 LEU 9 -9.449 -8.987 -11.268 71 HD21 LEU 9 1HD2 LEU 9 -5.836 -7.945 -11.856 72 HD22 LEU 9 2HD2 LEU 9 -7.036 -8.144 -10.575 73 HD23 LEU 9 3HD2 LEU 9 -7.201 -6.833 -11.748 74 H SER 10 H SER 10 -8.279 -13.527 -12.320 75 HA SER 10 HA SER 10 -11.013 -13.878 -13.039 76 HB2 SER 10 2HB SER 10 -9.393 -15.278 -10.864 77 HB3 SER 10 3HB SER 10 -10.913 -15.854 -11.547 78 HG SER 10 HG SER 10 -9.353 -15.454 -13.600 79 H TYR 11 H TYR 11 -12.635 -14.455 -11.094 80 HA TYR 11 HA TYR 11 -13.426 -12.042 -9.914 81 HB2 TYR 11 2HB TYR 11 -15.024 -13.894 -10.327 82 HB3 TYR 11 3HB TYR 11 -14.232 -14.875 -9.097 83 HD1 TYR 11 HD1 TYR 11 -16.237 -11.764 -9.615 84 HD2 TYR 11 HD2 TYR 11 -14.812 -14.605 -6.755 85 HE1 TYR 11 HE1 TYR 11 -17.705 -10.791 -7.915 86 HE2 TYR 11 HE2 TYR 11 -16.280 -13.616 -5.046 87 HH TYR 11 HH TYR 11 -17.415 -11.405 -4.641 88 H ALA 12 H ALA 12 -11.958 -14.909 -8.391 89 HA ALA 12 HA ALA 12 -11.725 -13.888 -5.779 90 HB1 ALA 12 1HB ALA 12 -10.068 -16.044 -7.121 91 HB2 ALA 12 2HB ALA 12 -11.623 -16.285 -6.326 92 HB3 ALA 12 3HB ALA 12 -10.224 -15.778 -5.382 93 H GLU 13 H GLU 13 -9.597 -13.623 -8.583 94 HA GLU 13 HA GLU 13 -7.309 -12.553 -7.246 95 HB2 GLU 13 2HB GLU 13 -8.140 -12.270 -10.164 96 HB3 GLU 13 3HB GLU 13 -6.548 -11.886 -9.514 97 HG2 GLU 13 2HG GLU 13 -6.353 -14.315 -8.811 98 HG3 GLU 13 3HG GLU 13 -7.848 -14.606 -9.701 99 H LYS 14 H LYS 14 -10.123 -11.128 -8.854 100 HA LYS 14 HA LYS 14 -9.385 -8.397 -8.539 101 HB2 LYS 14 2HB LYS 14 -10.980 -9.060 -10.238 102 HB3 LYS 14 3HB LYS 14 -12.067 -9.750 -9.053 103 HG2 LYS 14 2HG LYS 14 -11.476 -6.833 -8.721 104 HG3 LYS 14 3HG LYS 14 -12.394 -7.264 -10.157 105 HD2 LYS 14 2HD LYS 14 -13.194 -8.121 -7.343 106 HD3 LYS 14 3HD LYS 14 -13.792 -6.649 -8.121 107 HE2 LYS 14 2HE LYS 14 -14.751 -8.042 -9.968 108 HE3 LYS 14 3HE LYS 14 -14.206 -9.493 -9.118 109 HZ1 LYS 14 1HZ LYS 14 -16.558 -8.969 -8.711 110 HZ2 LYS 14 2HZ LYS 14 -16.106 -7.493 -7.999 111 HZ3 LYS 14 3HZ LYS 14 -15.660 -8.948 -7.291 112 H GLU 15 H GLU 15 -11.089 -10.724 -6.501 113 HA GLU 15 HA GLU 15 -12.125 -8.896 -4.580 114 HB2 GLU 15 2HB GLU 15 -11.382 -11.833 -4.301 115 HB3 GLU 15 3HB GLU 15 -12.235 -10.916 -3.075 116 HG2 GLU 15 2HG GLU 15 -13.211 -11.624 -5.824 117 HG3 GLU 15 3HG GLU 15 -13.790 -12.261 -4.289 118 H LYS 16 H LYS 16 -9.252 -11.032 -4.500 119 HA LYS 16 HA LYS 16 -8.188 -10.024 -2.094 120 HB2 LYS 16 2HB LYS 16 -6.136 -11.194 -2.601 121 HB3 LYS 16 3HB LYS 16 -7.494 -12.192 -3.100 122 HG2 LYS 16 2HG LYS 16 -7.115 -11.478 -5.461 123 HG3 LYS 16 3HG LYS 16 -5.717 -10.549 -4.935 124 HD2 LYS 16 2HD LYS 16 -4.891 -12.591 -5.865 125 HD3 LYS 16 3HD LYS 16 -4.685 -12.725 -4.122 126 HE2 LYS 16 2HE LYS 16 -6.974 -13.961 -5.695 127 HE3 LYS 16 3HE LYS 16 -5.510 -14.823 -5.225 128 HZ1 LYS 16 1HZ LYS 16 -7.633 -13.747 -3.456 129 HZ2 LYS 16 2HZ LYS 16 -6.131 -14.258 -2.870 130 HZ3 LYS 16 3HZ LYS 16 -7.149 -15.353 -3.652 131 H LEU 17 H LEU 17 -7.937 -8.856 -5.376 132 HA LEU 17 HA LEU 17 -5.708 -7.117 -4.944 133 HB2 LEU 17 2HB LEU 17 -6.663 -8.177 -7.173 134 HB3 LEU 17 3HB LEU 17 -7.666 -6.744 -7.227 135 HG LEU 17 HG LEU 17 -5.489 -6.691 -8.594 136 HD11 LEU 17 1HD1 LEU 17 -4.971 -4.344 -8.125 137 HD12 LEU 17 2HD1 LEU 17 -5.851 -4.436 -6.597 138 HD13 LEU 17 3HD1 LEU 17 -6.715 -4.618 -8.124 139 HD21 LEU 17 1HD2 LEU 17 -4.034 -7.775 -6.899 140 HD22 LEU 17 2HD2 LEU 17 -4.186 -6.358 -5.857 141 HD23 LEU 17 3HD2 LEU 17 -3.386 -6.223 -7.423 142 H LYS 18 H LYS 18 -9.271 -6.599 -5.031 143 HA LYS 18 HA LYS 18 -9.082 -3.760 -4.773 144 HB2 LYS 18 2HB LYS 18 -11.506 -3.755 -4.362 145 HB3 LYS 18 3HB LYS 18 -11.087 -4.741 -5.746 146 HG2 LYS 18 2HG LYS 18 -12.697 -6.074 -4.790 147 HG3 LYS 18 3HG LYS 18 -11.271 -6.733 -3.991 148 HD2 LYS 18 2HD LYS 18 -11.767 -5.358 -1.985 149 HD3 LYS 18 3HD LYS 18 -13.166 -4.662 -2.803 150 HE2 LYS 18 2HE LYS 18 -13.956 -6.372 -1.305 151 HE3 LYS 18 3HE LYS 18 -14.158 -6.968 -2.951 152 HZ1 LYS 18 1HZ LYS 18 -11.975 -7.727 -1.072 153 HZ2 LYS 18 2HZ LYS 18 -12.135 -8.283 -2.656 154 HZ3 LYS 18 3HZ LYS 18 -13.300 -8.681 -1.506 155 H GLU 19 H GLU 19 -9.451 -6.394 -2.418 156 HA GLU 19 HA GLU 19 -9.633 -4.624 -0.139 157 HB2 GLU 19 2HB GLU 19 -9.562 -6.640 1.225 158 HB3 GLU 19 3HB GLU 19 -10.683 -6.849 -0.113 159 HG2 GLU 19 2HG GLU 19 -8.877 -8.110 -1.331 160 HG3 GLU 19 3HG GLU 19 -7.911 -8.033 0.134 161 H LYS 20 H LYS 20 -7.014 -6.192 -1.920 162 HA LYS 20 HA LYS 20 -4.896 -5.612 -0.159 163 HB2 LYS 20 2HB LYS 20 -4.010 -6.877 -1.851 164 HB3 LYS 20 3HB LYS 20 -5.095 -6.226 -3.068 165 HG2 LYS 20 2HG LYS 20 -3.651 -4.399 -3.555 166 HG3 LYS 20 3HG LYS 20 -2.766 -4.567 -2.038 167 HD2 LYS 20 2HD LYS 20 -2.646 -6.548 -4.343 168 HD3 LYS 20 3HD LYS 20 -1.446 -5.296 -4.023 169 HE2 LYS 20 2HE LYS 20 -1.059 -6.353 -1.758 170 HE3 LYS 20 3HE LYS 20 -2.121 -7.669 -2.256 171 HZ1 LYS 20 1HZ LYS 20 0.448 -6.894 -3.531 172 HZ2 LYS 20 2HZ LYS 20 -0.591 -8.089 -4.121 173 HZ3 LYS 20 3HZ LYS 20 0.152 -8.286 -2.614 174 H LEU 21 H LEU 21 -6.295 -3.652 -2.801 175 HA LEU 21 HA LEU 21 -4.638 -1.408 -2.595 176 HB2 LEU 21 2HB LEU 21 -7.560 -1.470 -3.445 177 HB3 LEU 21 3HB LEU 21 -6.437 -0.160 -3.767 178 HG LEU 21 HG LEU 21 -6.264 -2.967 -4.928 179 HD11 LEU 21 1HD1 LEU 21 -6.813 -1.917 -7.068 180 HD12 LEU 21 2HD1 LEU 21 -6.991 -0.352 -6.270 181 HD13 LEU 21 3HD1 LEU 21 -8.099 -1.671 -5.888 182 HD21 LEU 21 1HD2 LEU 21 -4.439 -2.125 -6.327 183 HD22 LEU 21 2HD2 LEU 21 -4.017 -2.046 -4.620 184 HD23 LEU 21 3HD2 LEU 21 -4.482 -0.577 -5.481 185 H ALA 22 H ALA 22 -7.720 -2.158 -1.005 186 HA ALA 22 HA ALA 22 -8.020 0.265 0.460 187 HB1 ALA 22 1HB ALA 22 -9.184 -2.495 1.001 188 HB2 ALA 22 2HB ALA 22 -9.900 -1.250 -0.020 189 HB3 ALA 22 3HB ALA 22 -9.750 -0.977 1.713 190 H PHE 23 H PHE 23 -6.524 -2.855 1.250 191 HA PHE 23 HA PHE 23 -6.159 -2.451 4.039 192 HB2 PHE 23 2HB PHE 23 -6.156 -4.700 3.061 193 HB3 PHE 23 3HB PHE 23 -4.735 -4.328 2.098 194 HD1 PHE 23 HD1 PHE 23 -5.923 -4.756 5.621 195 HD2 PHE 23 HD2 PHE 23 -2.551 -4.714 2.988 196 HE1 PHE 23 HE1 PHE 23 -4.491 -5.614 7.428 197 HE2 PHE 23 HE2 PHE 23 -1.132 -5.568 4.797 198 HZ PHE 23 HZ PHE 23 -2.098 -6.019 7.019 199 H LEU 24 H LEU 24 -3.845 -2.245 1.324 200 HA LEU 24 HA LEU 24 -1.712 -1.262 2.898 201 HB2 LEU 24 2HB LEU 24 -0.499 -0.926 0.821 202 HB3 LEU 24 3HB LEU 24 -1.278 -2.485 0.853 203 HG LEU 24 HG LEU 24 -3.092 -1.399 -0.692 204 HD11 LEU 24 1HD1 LEU 24 -0.859 0.608 -1.129 205 HD12 LEU 24 2HD1 LEU 24 -2.447 0.947 -0.442 206 HD13 LEU 24 3HD1 LEU 24 -2.311 0.443 -2.121 207 HD21 LEU 24 1HD2 LEU 24 -0.292 -1.897 -1.768 208 HD22 LEU 24 2HD2 LEU 24 -1.777 -1.890 -2.722 209 HD23 LEU 24 3HD2 LEU 24 -1.536 -3.117 -1.482 210 H LYS 25 H LYS 25 -4.335 0.312 1.161 211 HA LYS 25 HA LYS 25 -3.403 2.990 1.177 212 HB2 LYS 25 2HB LYS 25 -5.261 2.374 -0.222 213 HB3 LYS 25 3HB LYS 25 -6.197 1.786 1.145 214 HG2 LYS 25 2HG LYS 25 -6.420 4.115 1.974 215 HG3 LYS 25 3HG LYS 25 -5.516 4.696 0.574 216 HD2 LYS 25 2HD LYS 25 -8.165 3.208 0.477 217 HD3 LYS 25 3HD LYS 25 -7.972 4.951 0.292 218 HE2 LYS 25 2HE LYS 25 -6.834 2.835 -1.568 219 HE3 LYS 25 3HE LYS 25 -8.250 3.841 -1.884 220 HZ1 LYS 25 1HZ LYS 25 -6.348 4.759 -2.981 221 HZ2 LYS 25 2HZ LYS 25 -5.458 4.789 -1.549 222 HZ3 LYS 25 3HZ LYS 25 -6.801 5.799 -1.735 223 H LYS 26 H LYS 26 -5.555 1.278 3.482 224 HA LYS 26 HA LYS 26 -6.001 3.526 5.153 225 HB2 LYS 26 2HB LYS 26 -6.973 1.970 6.783 226 HB3 LYS 26 3HB LYS 26 -7.549 1.607 5.163 227 HG2 LYS 26 2HG LYS 26 -6.102 -0.324 5.005 228 HG3 LYS 26 3HG LYS 26 -5.316 0.078 6.531 229 HD2 LYS 26 2HD LYS 26 -7.475 -0.327 7.720 230 HD3 LYS 26 3HD LYS 26 -8.218 -0.777 6.181 231 HE2 LYS 26 2HE LYS 26 -6.645 -2.659 5.953 232 HE3 LYS 26 3HE LYS 26 -5.854 -2.198 7.461 233 HZ1 LYS 26 1HZ LYS 26 -7.973 -2.600 8.600 234 HZ2 LYS 26 2HZ LYS 26 -7.372 -3.990 7.851 235 HZ3 LYS 26 3HZ LYS 26 -8.652 -3.135 7.151 236 H GLU 27 H GLU 27 -3.699 0.792 5.330 237 HA GLU 27 HA GLU 27 -2.564 1.618 7.815 238 HB2 GLU 27 2HB GLU 27 -0.974 -0.121 7.578 239 HB3 GLU 27 3HB GLU 27 -2.475 -0.742 6.912 240 HG2 GLU 27 2HG GLU 27 -1.661 -0.476 4.657 241 HG3 GLU 27 3HG GLU 27 -0.218 0.364 5.215 242 H TYR 28 H TYR 28 -1.821 2.300 4.412 243 HA TYR 28 HA TYR 28 0.691 3.546 4.656 244 HB2 TYR 28 2HB TYR 28 -0.260 3.053 2.449 245 HB3 TYR 28 3HB TYR 28 -1.616 4.131 2.734 246 HD1 TYR 28 HD1 TYR 28 2.074 4.052 2.107 247 HD2 TYR 28 HD2 TYR 28 -1.443 6.480 2.198 248 HE1 TYR 28 HE1 TYR 28 3.302 5.874 1.031 249 HE2 TYR 28 HE2 TYR 28 -0.205 8.306 1.117 250 HH TYR 28 HH TYR 28 2.121 9.045 0.852 251 H SER 29 H SER 29 -2.587 4.955 4.790 252 HA SER 29 HA SER 29 -1.828 7.634 5.196 253 HB2 SER 29 2HB SER 29 -4.412 6.248 6.047 254 HB3 SER 29 3HB SER 29 -4.188 7.991 5.841 255 HG SER 29 HG SER 29 -3.897 6.010 3.829 256 H ARG 30 H ARG 30 -2.688 5.076 7.519 257 HA ARG 30 HA ARG 30 -2.555 6.652 9.894 258 HB2 ARG 30 2HB ARG 30 -2.426 3.641 9.468 259 HB3 ARG 30 3HB ARG 30 -2.542 4.401 11.053 260 HG2 ARG 30 2HG ARG 30 -4.731 5.338 10.483 261 HG3 ARG 30 3HG ARG 30 -4.616 4.660 8.853 262 HD2 ARG 30 2HD ARG 30 -6.031 3.281 10.357 263 HD3 ARG 30 3HD ARG 30 -4.631 2.393 9.745 264 HE ARG 30 HE ARG 30 -3.934 3.521 12.218 265 HH11 ARG 30 1HH1 ARG 30 -6.118 1.048 11.003 266 HH12 ARG 30 2HH1 ARG 30 -6.076 0.121 12.467 267 HH21 ARG 30 1HH2 ARG 30 -3.863 2.296 14.121 268 HH22 ARG 30 2HH2 ARG 30 -4.790 0.834 14.246 269 H THR 31 H THR 31 -0.251 4.372 8.407 270 HA THR 31 HA THR 31 1.583 4.585 10.601 271 HB THR 31 HB THR 31 1.177 2.430 9.264 272 HG1 THR 31 HG1 THR 31 3.828 3.338 9.807 273 HG21 THR 31 1HG2 THR 31 3.263 3.655 7.412 274 HG22 THR 31 2HG2 THR 31 1.593 3.303 6.968 275 HG23 THR 31 3HG2 THR 31 2.691 1.986 7.377 276 H LEU 32 H LEU 32 1.355 6.001 7.391 277 HA LEU 32 HA LEU 32 3.901 7.287 7.418 278 HB2 LEU 32 2HB LEU 32 2.465 7.010 5.390 279 HB3 LEU 32 3HB LEU 32 1.336 8.182 6.031 280 HG LEU 32 HG LEU 32 4.223 8.992 5.506 281 HD11 LEU 32 1HD1 LEU 32 3.615 9.716 3.241 282 HD12 LEU 32 2HD1 LEU 32 2.019 8.986 3.426 283 HD13 LEU 32 3HD1 LEU 32 3.459 7.968 3.418 284 HD21 LEU 32 1HD2 LEU 32 1.635 10.573 5.449 285 HD22 LEU 32 2HD2 LEU 32 3.248 11.229 5.149 286 HD23 LEU 32 3HD2 LEU 32 2.833 10.597 6.740 287 H ALA 33 H ALA 33 0.620 8.228 8.494 288 HA ALA 33 HA ALA 33 1.105 10.818 9.385 289 HB1 ALA 33 1HB ALA 33 -0.786 8.781 10.614 290 HB2 ALA 33 2HB ALA 33 -1.141 9.816 9.227 291 HB3 ALA 33 3HB ALA 33 -0.872 10.538 10.813 292 H ARG 34 H ARG 34 1.402 7.760 11.215 293 HA ARG 34 HA ARG 34 2.233 9.008 13.659 294 HB2 ARG 34 2HB ARG 34 2.394 6.817 14.574 295 HB3 ARG 34 3HB ARG 34 1.022 6.796 13.479 296 HG2 ARG 34 2HG ARG 34 2.601 5.767 11.745 297 HG3 ARG 34 3HG ARG 34 3.743 5.544 13.069 298 HD2 ARG 34 2HD ARG 34 0.951 4.378 12.877 299 HD3 ARG 34 3HD ARG 34 2.472 3.498 12.672 300 HE ARG 34 HE ARG 34 2.132 4.828 15.229 301 HH11 ARG 34 1HH1 ARG 34 1.696 1.805 13.470 302 HH12 ARG 34 2HH1 ARG 34 1.631 0.844 14.915 303 HH21 ARG 34 1HH2 ARG 34 2.008 3.596 17.092 304 HH22 ARG 34 2HH2 ARG 34 1.811 1.877 16.992 305 H LEU 35 H LEU 35 3.947 7.548 10.922 306 HA LEU 35 HA LEU 35 6.595 7.580 11.844 307 HB2 LEU 35 2HB LEU 35 6.020 6.579 9.683 308 HB3 LEU 35 3HB LEU 35 5.464 8.123 9.070 309 HG LEU 35 HG LEU 35 7.837 8.973 9.152 310 HD11 LEU 35 1HD1 LEU 35 8.752 7.504 10.876 311 HD12 LEU 35 2HD1 LEU 35 9.697 7.403 9.394 312 HD13 LEU 35 3HD1 LEU 35 8.574 6.107 9.811 313 HD21 LEU 35 1HD2 LEU 35 6.891 8.125 7.052 314 HD22 LEU 35 2HD2 LEU 35 7.442 6.495 7.447 315 HD23 LEU 35 3HD2 LEU 35 8.617 7.780 7.162 316 H GLN 36 H GLN 36 4.571 10.132 10.405 317 HA GLN 36 HA GLN 36 6.534 12.191 10.494 318 HB2 GLN 36 2HB GLN 36 3.503 12.540 10.441 319 HB3 GLN 36 3HB GLN 36 4.698 13.779 10.077 320 HG2 GLN 36 2HG GLN 36 4.046 11.316 8.453 321 HG3 GLN 36 3HG GLN 36 3.795 12.992 8.000 322 HE21 GLN 36 1HE2 GLN 36 5.290 10.772 6.687 323 HE22 GLN 36 2HE2 GLN 36 6.871 11.400 6.403 324 H ARG 37 H ARG 37 3.870 11.247 12.717 325 HA ARG 37 HA ARG 37 4.162 13.363 14.571 326 HB2 ARG 37 2HB ARG 37 3.127 10.536 15.063 327 HB3 ARG 37 3HB ARG 37 2.943 11.873 16.191 328 HG2 ARG 37 2HG ARG 37 1.723 11.658 13.429 329 HG3 ARG 37 3HG ARG 37 0.878 11.525 14.965 330 HD2 ARG 37 2HD ARG 37 2.238 14.018 13.894 331 HD3 ARG 37 3HD ARG 37 0.500 13.711 13.916 332 HE ARG 37 HE ARG 37 0.940 13.512 16.482 333 HH11 ARG 37 1HH1 ARG 37 2.399 15.857 14.314 334 HH12 ARG 37 2HH1 ARG 37 2.575 17.069 15.540 335 HH21 ARG 37 1HH2 ARG 37 1.106 15.154 18.075 336 HH22 ARG 37 2HH2 ARG 37 1.844 16.670 17.666 337 H ALA 38 H ALA 38 5.917 10.382 14.199 338 HA ALA 38 HA ALA 38 7.351 10.399 16.664 339 HB1 ALA 38 1HB ALA 38 8.759 8.685 15.599 340 HB2 ALA 38 2HB ALA 38 8.041 9.052 14.027 341 HB3 ALA 38 3HB ALA 38 7.050 8.359 15.313 342 H LYS 39 H LYS 39 8.298 11.320 13.325 343 HA LYS 39 HA LYS 39 10.918 12.241 14.130 344 HB2 LYS 39 2HB LYS 39 11.307 12.639 11.752 345 HB3 LYS 39 3HB LYS 39 10.543 11.073 11.989 346 HG2 LYS 39 2HG LYS 39 8.342 12.114 11.370 347 HG3 LYS 39 3HG LYS 39 9.197 13.604 10.982 348 HD2 LYS 39 2HD LYS 39 9.622 10.908 9.626 349 HD3 LYS 39 3HD LYS 39 8.716 12.262 8.957 350 HE2 LYS 39 2HE LYS 39 10.784 13.624 8.922 351 HE3 LYS 39 3HE LYS 39 11.688 12.257 9.583 352 HZ1 LYS 39 1HZ LYS 39 10.294 12.337 6.954 353 HZ2 LYS 39 2HZ LYS 39 11.066 10.980 7.595 354 HZ3 LYS 39 3HZ LYS 39 11.969 12.354 7.203 355 H ARG 40 H ARG 40 7.869 13.826 13.598 356 HA ARG 40 HA ARG 40 8.952 16.491 13.169 357 HB2 ARG 40 2HB ARG 40 6.100 15.496 13.544 358 HB3 ARG 40 3HB ARG 40 6.503 17.184 13.277 359 HG2 ARG 40 2HG ARG 40 7.461 15.165 11.256 360 HG3 ARG 40 3HG ARG 40 5.751 15.581 11.276 361 HD2 ARG 40 2HD ARG 40 6.904 16.930 9.637 362 HD3 ARG 40 3HD ARG 40 6.331 17.954 10.951 363 HE ARG 40 HE ARG 40 9.024 17.217 11.422 364 HH11 ARG 40 1HH1 ARG 40 7.143 19.307 9.292 365 HH12 ARG 40 2HH1 ARG 40 8.444 20.428 9.044 366 HH21 ARG 40 1HH2 ARG 40 10.717 18.716 11.093 367 HH22 ARG 40 2HH2 ARG 40 10.466 20.090 10.068 368 H ALA 41 H ALA 41 7.240 14.759 15.783 369 HA ALA 41 HA ALA 41 7.330 16.998 17.624 370 HB1 ALA 41 1HB ALA 41 6.337 15.427 19.247 371 HB2 ALA 41 2HB ALA 41 6.581 14.089 18.121 372 HB3 ALA 41 3HB ALA 41 5.465 15.393 17.713 373 H GLU 42 H GLU 42 8.835 13.749 17.521 374 HA GLU 42 HA GLU 42 10.665 12.797 18.466 375 HB2 GLU 42 2HB GLU 42 11.800 15.613 18.248 376 HB3 GLU 42 3HB GLU 42 12.759 14.176 18.588 377 HG2 GLU 42 2HG GLU 42 12.171 13.225 16.422 378 HG3 GLU 42 3HG GLU 42 11.147 14.609 16.062 379 H LYS 43 H LYS 43 8.648 14.093 20.319 380 HA LYS 43 HA LYS 43 9.825 15.392 22.484 381 HB2 LYS 43 2HB LYS 43 7.771 15.125 23.657 382 HB3 LYS 43 3HB LYS 43 7.324 15.216 21.963 383 HG2 LYS 43 2HG LYS 43 7.560 12.629 23.523 384 HG3 LYS 43 3HG LYS 43 6.052 13.512 23.303 385 HD2 LYS 43 2HD LYS 43 5.997 13.035 20.955 386 HD3 LYS 43 3HD LYS 43 7.687 12.518 20.942 387 HE2 LYS 43 2HE LYS 43 6.057 10.617 20.801 388 HE3 LYS 43 3HE LYS 43 7.152 10.505 22.174 389 HZ1 LYS 43 1HZ LYS 43 4.335 11.444 22.276 390 HZ2 LYS 43 2HZ LYS 43 5.379 11.334 23.601 391 HZ3 LYS 43 3HZ LYS 43 4.895 9.933 22.790 392 H ALA 44 H ALA 44 9.827 12.017 21.726 393 HA ALA 44 HA ALA 44 11.120 11.308 24.279 394 HB1 ALA 44 1HB ALA 44 9.778 9.251 24.379 395 HB2 ALA 44 2HB ALA 44 8.919 9.722 22.910 396 HB3 ALA 44 3HB ALA 44 8.731 10.671 24.386 397 H LYS 45 H LYS 45 12.188 11.860 21.540 398 HA LYS 45 HA LYS 45 12.582 9.413 20.164 399 HB2 LYS 45 2HB LYS 45 12.703 11.705 19.079 400 HB3 LYS 45 3HB LYS 45 14.289 11.897 19.825 401 HG2 LYS 45 2HG LYS 45 15.062 9.824 18.608 402 HG3 LYS 45 3HG LYS 45 13.491 9.763 17.812 403 HD2 LYS 45 2HD LYS 45 15.128 10.751 16.299 404 HD3 LYS 45 3HD LYS 45 13.958 11.985 16.769 405 HE2 LYS 45 2HE LYS 45 15.535 12.978 18.315 406 HE3 LYS 45 3HE LYS 45 16.677 11.654 18.081 407 HZ1 LYS 45 1HZ LYS 45 16.927 12.314 15.778 408 HZ2 LYS 45 2HZ LYS 45 17.314 13.606 16.809 409 HZ3 LYS 45 3HZ LYS 45 15.845 13.585 15.996 410 H ASN 46 H ASN 46 14.763 11.365 22.156 411 HA ASN 46 HA ASN 46 16.729 10.981 23.205 412 HB2 ASN 46 2HB ASN 46 14.969 10.004 24.693 413 HB3 ASN 46 3HB ASN 46 15.298 8.415 24.015 414 HD21 ASN 46 1HD2 ASN 46 16.494 10.955 26.104 415 HD22 ASN 46 2HD2 ASN 46 17.773 10.036 26.819 416 H SER 47 H SER 47 18.068 10.826 21.393 417 HA SER 47 HA SER 47 18.387 8.518 19.793 418 HB2 SER 47 2HB SER 47 18.790 10.815 18.986 419 HB3 SER 47 3HB SER 47 20.196 10.954 20.044 420 HG SER 47 HG SER 47 19.845 9.075 17.940 421 H LYS 48 H LYS 48 19.135 6.678 20.671 422 HA LYS 48 HA LYS 48 21.601 6.653 22.333 423 HB2 LYS 48 2HB LYS 48 19.305 4.643 22.175 424 HB3 LYS 48 3HB LYS 48 20.762 4.425 23.141 425 HG2 LYS 48 2HG LYS 48 20.170 6.302 24.572 426 HG3 LYS 48 3HG LYS 48 18.796 6.707 23.545 427 HD2 LYS 48 2HD LYS 48 19.084 4.116 25.125 428 HD3 LYS 48 3HD LYS 48 18.114 5.502 25.623 429 HE2 LYS 48 2HE LYS 48 16.651 5.228 23.686 430 HE3 LYS 48 3HE LYS 48 17.660 3.914 23.072 431 HZ1 LYS 48 1HZ LYS 48 15.641 3.145 24.232 432 HZ2 LYS 48 2HZ LYS 48 16.205 3.854 25.659 433 HZ3 LYS 48 3HZ LYS 48 17.063 2.580 24.960 434 H LYS 49 H LYS 49 23.249 5.245 21.770 435 HA LYS 49 HA LYS 49 23.365 4.314 19.020 436 HB2 LYS 49 2HB LYS 49 25.314 5.427 20.071 437 HB3 LYS 49 3HB LYS 49 25.408 4.136 21.262 438 HG2 LYS 49 2HG LYS 49 25.617 2.608 19.040 439 HG3 LYS 49 3HG LYS 49 26.217 4.123 18.365 440 HD2 LYS 49 2HD LYS 49 28.104 2.809 19.169 441 HD3 LYS 49 3HD LYS 49 27.914 4.225 20.205 442 HE2 LYS 49 2HE LYS 49 26.673 2.792 21.853 443 HE3 LYS 49 3HE LYS 49 27.012 1.390 20.834 444 HZ1 LYS 49 1HZ LYS 49 29.400 1.863 21.137 445 HZ2 LYS 49 2HZ LYS 49 28.613 1.493 22.583 446 HZ3 LYS 49 3HZ LYS 49 29.009 3.097 22.229 447 H ALA 50 H ALA 50 22.771 2.310 18.424 448 HA ALA 50 HA ALA 50 22.267 0.175 20.310 449 HB1 ALA 50 1HB ALA 50 22.218 0.158 17.268 450 HB2 ALA 50 2HB ALA 50 20.835 0.448 18.326 451 HB3 ALA 50 3HB ALA 50 21.620 -1.131 18.318 452 H ILE 51 H ILE 51 23.697 -1.337 20.953 453 HA ILE 51 HA ILE 51 26.391 -1.446 19.821 454 HB ILE 51 HB ILE 51 26.881 -3.059 21.680 455 HG12 ILE 51 2HG1 ILE 51 25.000 -3.068 23.577 456 HG13 ILE 51 3HG1 ILE 51 23.899 -2.777 22.238 457 HG21 ILE 51 1HG2 ILE 51 26.691 -1.391 23.510 458 HG22 ILE 51 2HG2 ILE 51 25.556 -0.455 22.538 459 HG23 ILE 51 3HG2 ILE 51 27.225 -0.652 21.999 460 HD11 ILE 51 1HD1 ILE 51 23.974 -5.118 22.874 461 HD12 ILE 51 2HD1 ILE 51 25.704 -5.171 22.550 462 HD13 ILE 51 3HD1 ILE 51 24.566 -4.901 21.227 463 H GLU 52 H GLU 52 23.458 -2.900 19.180 464 HA GLU 52 HA GLU 52 24.444 -5.468 18.264 465 HB2 GLU 52 2HB GLU 52 21.705 -4.339 17.560 466 HB3 GLU 52 3HB GLU 52 22.195 -6.017 17.723 467 HG2 GLU 52 2HG GLU 52 20.883 -5.716 19.615 468 HG3 GLU 52 3HG GLU 52 22.499 -5.430 20.259 469 H ASP 53 H ASP 53 26.066 -4.632 16.836 470 HA ASP 53 HA ASP 53 25.449 -3.035 14.549 471 HB2 ASP 53 2HB ASP 53 27.808 -4.849 15.179 472 HB3 ASP 53 3HB ASP 53 27.712 -3.867 13.719 473 H GLY 54 H GLY 54 24.189 -3.703 12.946 474 HA2 GLY 54 2HA GLY 54 23.697 -6.502 12.294 475 HA3 GLY 54 3HA GLY 54 22.947 -5.094 11.565 476 H VAL 55 H VAL 55 26.205 -6.441 11.875 477 HA VAL 55 HA VAL 55 27.265 -5.257 9.550 478 HB VAL 55 HB VAL 55 28.696 -5.937 11.402 479 HG11 VAL 55 1HG1 VAL 55 29.222 -8.274 11.948 480 HG12 VAL 55 2HG1 VAL 55 28.042 -8.826 10.757 481 HG13 VAL 55 3HG1 VAL 55 27.505 -7.931 12.180 482 HG21 VAL 55 1HG2 VAL 55 29.772 -5.817 9.184 483 HG22 VAL 55 2HG2 VAL 55 29.444 -7.530 8.916 484 HG23 VAL 55 3HG2 VAL 55 30.553 -7.033 10.198 485 HA PRO 56 HA PRO 56 25.610 -8.248 6.509 486 HB2 PRO 56 2HB PRO 56 26.563 -7.084 4.242 487 HB3 PRO 56 3HB PRO 56 25.223 -6.365 5.158 488 HG2 PRO 56 2HG PRO 56 28.126 -5.613 5.181 489 HG3 PRO 56 3HG PRO 56 26.694 -4.561 5.123 490 HD2 PRO 56 2HD PRO 56 28.072 -5.077 7.443 491 HD3 PRO 56 3HD PRO 56 26.337 -4.690 7.408 492 H GLN 57 H GLN 57 26.498 -9.751 4.933 493 HA GLN 57 HA GLN 57 28.971 -10.925 5.833 494 HB2 GLN 57 2HB GLN 57 27.204 -11.787 3.500 495 HB3 GLN 57 3HB GLN 57 28.478 -12.741 4.241 496 HG2 GLN 57 2HG GLN 57 26.532 -13.665 5.148 497 HG3 GLN 57 3HG GLN 57 27.064 -12.571 6.415 498 HE21 GLN 57 1HE2 GLN 57 24.655 -13.132 3.956 499 HE22 GLN 57 2HE2 GLN 57 23.524 -11.952 4.513 500 HA PRO 58 HA PRO 58 31.777 -8.622 3.422 501 HB2 PRO 58 2HB PRO 58 33.818 -10.441 2.856 502 HB3 PRO 58 3HB PRO 58 33.547 -9.688 4.436 503 HG2 PRO 58 2HG PRO 58 32.677 -12.393 3.493 504 HG3 PRO 58 3HG PRO 58 33.415 -11.929 5.044 505 HD2 PRO 58 2HD PRO 58 30.773 -12.332 4.868 506 HD3 PRO 58 3HD PRO 58 31.421 -11.021 5.876 507 H GLU 59 H GLU 59 31.271 -11.772 1.792 508 HA GLU 59 HA GLU 59 31.058 -10.342 -0.794 509 HB2 GLU 59 2HB GLU 59 33.362 -11.378 -0.528 510 HB3 GLU 59 3HB GLU 59 32.589 -12.954 -0.468 511 HG2 GLU 59 2HG GLU 59 33.444 -12.589 -2.700 512 HG3 GLU 59 3HG GLU 59 31.683 -12.568 -2.760 513 H ALA 60 H ALA 60 30.729 -13.570 0.712 514 HA ALA 60 HA ALA 60 28.476 -14.291 -0.950 515 HB1 ALA 60 1HB ALA 60 30.084 -16.009 -0.206 516 HB2 ALA 60 2HB ALA 60 28.463 -16.376 0.377 517 HB3 ALA 60 3HB ALA 60 29.660 -15.698 1.481 518 H LEU 61 H LEU 61 27.208 -12.396 -0.387 519 HA LEU 61 HA LEU 61 26.094 -12.195 2.306 520 HB2 LEU 61 2HB LEU 61 26.847 -10.233 0.847 521 HB3 LEU 61 3HB LEU 61 25.428 -10.506 -0.143 522 HG LEU 61 HG LEU 61 25.208 -9.911 2.838 523 HD11 LEU 61 1HD1 LEU 61 25.233 -7.855 0.607 524 HD12 LEU 61 2HD1 LEU 61 26.487 -8.083 1.827 525 HD13 LEU 61 3HD1 LEU 61 24.882 -7.543 2.312 526 HD21 LEU 61 1HD2 LEU 61 23.211 -9.529 0.582 527 HD22 LEU 61 2HD2 LEU 61 22.952 -9.115 2.279 528 HD23 LEU 61 3HD2 LEU 61 23.165 -10.798 1.806 529 H GLU 62 H GLU 62 24.987 -12.739 -1.024 530 HA GLU 62 HA GLU 62 22.629 -14.221 -0.022 531 HB2 GLU 62 2HB GLU 62 21.480 -13.369 -2.164 532 HB3 GLU 62 3HB GLU 62 21.731 -12.200 -0.875 533 HG2 GLU 62 2HG GLU 62 23.726 -11.325 -2.090 534 HG3 GLU 62 3HG GLU 62 23.393 -12.452 -3.402 535 H1 MET 1 1H MET 1 -1.887 -6.761 22.284 536 H2 MET 1 2H MET 1 -1.587 -6.090 20.764 537 H3 MET 1 3H MET 1 -1.129 -5.256 22.163 538 HA MET 1 HA MET 1 0.464 -6.921 22.722 539 HB2 MET 1 2HB MET 1 0.967 -8.807 21.226 540 HB3 MET 1 3HB MET 1 -0.712 -8.871 21.735 541 HG2 MET 1 2HG MET 1 0.230 -7.836 19.053 542 HG3 MET 1 3HG MET 1 -0.397 -9.456 19.352 543 HE1 MET 1 1HE MET 1 -2.838 -8.894 21.409 544 HE2 MET 1 2HE MET 1 -2.909 -9.983 20.022 545 HE3 MET 1 3HE MET 1 -4.155 -8.752 20.243 546 H GLU 2 H GLU 2 -0.309 -4.963 19.994 547 HA GLU 2 HA GLU 2 2.542 -4.699 19.196 548 HB2 GLU 2 2HB GLU 2 -0.010 -4.404 17.558 549 HB3 GLU 2 3HB GLU 2 1.559 -3.863 16.975 550 HG2 GLU 2 2HG GLU 2 0.827 -6.715 17.697 551 HG3 GLU 2 3HG GLU 2 0.971 -6.070 16.067 552 H GLU 3 H GLU 3 -0.168 -3.024 20.505 553 HA GLU 3 HA GLU 3 0.198 -0.416 19.575 554 HB2 GLU 3 2HB GLU 3 -1.121 0.355 21.495 555 HB3 GLU 3 3HB GLU 3 -1.840 -1.080 20.798 556 HG2 GLU 3 2HG GLU 3 -0.124 -1.120 23.289 557 HG3 GLU 3 3HG GLU 3 -1.874 -0.942 23.315 558 H LEU 4 H LEU 4 1.520 1.270 20.091 559 HA LEU 4 HA LEU 4 3.988 0.640 21.493 560 HB2 LEU 4 2HB LEU 4 3.125 3.137 19.974 561 HB3 LEU 4 3HB LEU 4 4.722 2.911 20.670 562 HG LEU 4 HG LEU 4 3.502 1.277 18.411 563 HD11 LEU 4 1HD1 LEU 4 5.841 3.213 18.386 564 HD12 LEU 4 2HD1 LEU 4 4.239 3.502 17.699 565 HD13 LEU 4 3HD1 LEU 4 5.273 2.247 17.020 566 HD21 LEU 4 1HD2 LEU 4 4.873 -0.193 19.809 567 HD22 LEU 4 2HD2 LEU 4 6.224 0.937 19.722 568 HD23 LEU 4 3HD2 LEU 4 5.672 0.106 18.267 569 H SER 5 H SER 5 4.862 1.763 23.240 570 HA SER 5 HA SER 5 3.079 2.512 25.335 571 HB2 SER 5 2HB SER 5 6.116 2.777 25.163 572 HB3 SER 5 3HB SER 5 5.159 2.890 26.644 573 HG SER 5 HG SER 5 4.392 0.659 25.678 574 H GLY 6 H GLY 6 4.740 4.307 22.883 575 HA2 GLY 6 2HA GLY 6 3.660 6.609 22.609 576 HA3 GLY 6 3HA GLY 6 4.259 6.908 24.235 577 H LYS 7 H LYS 7 6.618 5.076 23.300 578 HA LYS 7 HA LYS 7 8.407 7.160 22.496 579 HB2 LYS 7 2HB LYS 7 8.849 4.135 22.481 580 HB3 LYS 7 3HB LYS 7 10.104 5.352 22.316 581 HG2 LYS 7 2HG LYS 7 8.457 4.732 24.769 582 HG3 LYS 7 3HG LYS 7 10.193 4.513 24.539 583 HD2 LYS 7 2HD LYS 7 10.421 7.011 24.331 584 HD3 LYS 7 3HD LYS 7 8.699 7.150 24.712 585 HE2 LYS 7 2HE LYS 7 10.059 7.571 26.697 586 HE3 LYS 7 3HE LYS 7 9.096 6.111 26.909 587 HZ1 LYS 7 1HZ LYS 7 11.993 6.264 26.277 588 HZ2 LYS 7 2HZ LYS 7 11.102 4.830 26.286 589 HZ3 LYS 7 3HZ LYS 7 11.283 5.716 27.713 590 HA PRO 8 HA PRO 8 7.878 6.885 18.015 591 HB2 PRO 8 2HB PRO 8 10.372 7.670 17.167 592 HB3 PRO 8 3HB PRO 8 9.247 8.813 17.942 593 HG2 PRO 8 2HG PRO 8 11.460 7.237 19.253 594 HG3 PRO 8 3HG PRO 8 11.159 8.997 19.295 595 HD2 PRO 8 2HD PRO 8 10.319 7.483 21.302 596 HD3 PRO 8 3HD PRO 8 9.255 8.760 20.668 597 H LEU 9 H LEU 9 8.633 5.669 16.152 598 HA LEU 9 HA LEU 9 9.539 3.023 16.650 599 HB2 LEU 9 2HB LEU 9 9.702 3.008 14.019 600 HB3 LEU 9 3HB LEU 9 8.144 3.112 14.803 601 HG LEU 9 HG LEU 9 8.184 5.627 14.406 602 HD11 LEU 9 1HD1 LEU 9 10.553 4.986 12.647 603 HD12 LEU 9 2HD1 LEU 9 10.548 6.013 14.081 604 HD13 LEU 9 3HD1 LEU 9 9.660 6.511 12.643 605 HD21 LEU 9 1HD2 LEU 9 6.860 4.135 12.995 606 HD22 LEU 9 2HD2 LEU 9 8.245 3.889 11.930 607 HD23 LEU 9 3HD2 LEU 9 7.504 5.488 12.064 608 H SER 10 H SER 10 11.518 2.038 16.261 609 HA SER 10 HA SER 10 13.911 3.558 16.616 610 HB2 SER 10 2HB SER 10 13.561 0.603 15.935 611 HB3 SER 10 3HB SER 10 15.050 1.348 16.519 612 HG SER 10 HG SER 10 13.074 1.973 18.206 613 H TYR 11 H TYR 11 15.914 2.848 15.127 614 HA TYR 11 HA TYR 11 15.638 4.161 12.672 615 HB2 TYR 11 2HB TYR 11 17.837 3.943 13.811 616 HB3 TYR 11 3HB TYR 11 17.844 2.210 13.496 617 HD1 TYR 11 HD1 TYR 11 17.957 5.559 11.829 618 HD2 TYR 11 HD2 TYR 11 18.619 1.356 11.364 619 HE1 TYR 11 HE1 TYR 11 19.002 5.959 9.651 620 HE2 TYR 11 HE2 TYR 11 19.659 1.765 9.171 621 HH TYR 11 HH TYR 11 19.636 3.508 7.419 622 H ALA 12 H ALA 12 16.034 0.672 13.319 623 HA ALA 12 HA ALA 12 15.791 -0.250 10.676 624 HB1 ALA 12 1HB ALA 12 15.141 -1.728 13.245 625 HB2 ALA 12 2HB ALA 12 16.737 -1.599 12.503 626 HB3 ALA 12 3HB ALA 12 15.448 -2.463 11.666 627 H GLU 13 H GLU 13 13.342 0.477 13.111 628 HA GLU 13 HA GLU 13 11.094 -0.676 11.779 629 HB2 GLU 13 2HB GLU 13 11.172 1.563 13.839 630 HB3 GLU 13 3HB GLU 13 9.729 0.679 13.347 631 HG2 GLU 13 2HG GLU 13 10.861 -1.435 14.174 632 HG3 GLU 13 3HG GLU 13 12.127 -0.395 14.834 633 H LYS 14 H LYS 14 12.567 2.531 11.806 634 HA LYS 14 HA LYS 14 10.655 3.825 10.138 635 HB2 LYS 14 2HB LYS 14 12.062 5.109 11.639 636 HB3 LYS 14 3HB LYS 14 13.528 4.525 10.882 637 HG2 LYS 14 2HG LYS 14 11.642 6.006 9.087 638 HG3 LYS 14 3HG LYS 14 12.404 6.964 10.351 639 HD2 LYS 14 2HD LYS 14 13.963 5.213 8.404 640 HD3 LYS 14 3HD LYS 14 13.636 6.931 8.125 641 HE2 LYS 14 2HE LYS 14 14.839 7.485 10.242 642 HE3 LYS 14 3HE LYS 14 15.198 5.769 10.465 643 HZ1 LYS 14 1HZ LYS 14 17.039 7.027 9.462 644 HZ2 LYS 14 2HZ LYS 14 16.061 7.376 8.122 645 HZ3 LYS 14 3HZ LYS 14 16.494 5.782 8.463 646 H GLU 15 H GLU 15 13.606 1.993 9.527 647 HA GLU 15 HA GLU 15 13.917 2.623 6.773 648 HB2 GLU 15 2HB GLU 15 14.760 0.158 8.345 649 HB3 GLU 15 3HB GLU 15 15.250 0.483 6.692 650 HG2 GLU 15 2HG GLU 15 15.955 2.096 9.129 651 HG3 GLU 15 3HG GLU 15 17.019 1.025 8.220 652 H LYS 16 H LYS 16 12.517 -0.248 8.393 653 HA LYS 16 HA LYS 16 11.528 -1.462 6.056 654 HB2 LYS 16 2HB LYS 16 10.269 -2.962 7.460 655 HB3 LYS 16 3HB LYS 16 11.825 -2.662 8.216 656 HG2 LYS 16 2HG LYS 16 10.733 -1.055 9.776 657 HG3 LYS 16 3HG LYS 16 9.179 -1.422 9.037 658 HD2 LYS 16 2HD LYS 16 9.295 -2.665 11.080 659 HD3 LYS 16 3HD LYS 16 9.491 -3.833 9.777 660 HE2 LYS 16 2HE LYS 16 11.785 -2.652 11.382 661 HE3 LYS 16 3HE LYS 16 11.017 -4.194 11.745 662 HZ1 LYS 16 1HZ LYS 16 12.611 -3.479 9.351 663 HZ2 LYS 16 2HZ LYS 16 11.665 -4.877 9.430 664 HZ3 LYS 16 3HZ LYS 16 12.948 -4.661 10.509 665 H LEU 17 H LEU 17 10.188 1.056 8.065 666 HA LEU 17 HA LEU 17 7.504 0.866 7.092 667 HB2 LEU 17 2HB LEU 17 8.446 1.893 9.337 668 HB3 LEU 17 3HB LEU 17 8.605 3.366 8.402 669 HG LEU 17 HG LEU 17 6.471 3.095 9.819 670 HD11 LEU 17 1HD1 LEU 17 4.980 4.157 8.198 671 HD12 LEU 17 2HD1 LEU 17 6.038 3.671 6.872 672 HD13 LEU 17 3HD1 LEU 17 6.610 4.824 8.079 673 HD21 LEU 17 1HD2 LEU 17 6.050 0.712 9.276 674 HD22 LEU 17 2HD2 LEU 17 5.684 1.153 7.603 675 HD23 LEU 17 3HD2 LEU 17 4.654 1.722 8.915 676 H LYS 18 H LYS 18 10.284 3.006 6.284 677 HA LYS 18 HA LYS 18 8.779 4.652 4.499 678 HB2 LYS 18 2HB LYS 18 10.926 5.620 3.776 679 HB3 LYS 18 3HB LYS 18 10.805 5.541 5.521 680 HG2 LYS 18 2HG LYS 18 13.000 4.906 5.243 681 HG3 LYS 18 3HG LYS 18 12.235 3.320 5.212 682 HD2 LYS 18 2HD LYS 18 12.329 3.333 2.731 683 HD3 LYS 18 3HD LYS 18 13.061 4.936 2.763 684 HE2 LYS 18 2HE LYS 18 14.815 3.326 2.403 685 HE3 LYS 18 3HE LYS 18 14.999 3.967 4.031 686 HZ1 LYS 18 1HZ LYS 18 13.797 1.339 3.328 687 HZ2 LYS 18 2HZ LYS 18 13.963 1.951 4.888 688 HZ3 LYS 18 3HZ LYS 18 15.336 1.590 3.980 689 H GLU 19 H GLU 19 10.769 1.745 4.042 690 HA GLU 19 HA GLU 19 10.448 1.713 1.166 691 HB2 GLU 19 2HB GLU 19 11.612 -0.432 1.224 692 HB3 GLU 19 3HB GLU 19 12.446 0.740 2.235 693 HG2 GLU 19 2HG GLU 19 11.249 -0.295 4.224 694 HG3 GLU 19 3HG GLU 19 10.725 -1.569 3.135 695 H LYS 20 H LYS 20 8.674 0.393 3.923 696 HA LYS 20 HA LYS 20 6.863 -1.236 2.519 697 HB2 LYS 20 2HB LYS 20 6.453 -1.537 4.755 698 HB3 LYS 20 3HB LYS 20 6.828 0.127 5.173 699 HG2 LYS 20 2HG LYS 20 4.621 0.873 4.756 700 HG3 LYS 20 3HG LYS 20 4.225 -0.530 3.762 701 HD2 LYS 20 2HD LYS 20 4.678 -0.614 6.769 702 HD3 LYS 20 3HD LYS 20 3.097 -0.552 5.990 703 HE2 LYS 20 2HE LYS 20 3.662 -2.720 4.824 704 HE3 LYS 20 3HE LYS 20 5.139 -2.792 5.786 705 HZ1 LYS 20 1HZ LYS 20 2.350 -2.839 6.809 706 HZ2 LYS 20 2HZ LYS 20 3.719 -2.750 7.795 707 HZ3 LYS 20 3HZ LYS 20 3.458 -4.112 6.827 708 H LEU 21 H LEU 21 6.685 2.244 3.295 709 HA LEU 21 HA LEU 21 4.209 2.821 2.133 710 HB2 LEU 21 2HB LEU 21 6.620 4.668 2.371 711 HB3 LEU 21 3HB LEU 21 4.971 5.188 2.062 712 HG LEU 21 HG LEU 21 5.974 3.893 4.625 713 HD11 LEU 21 1HD1 LEU 21 5.566 6.067 5.665 714 HD12 LEU 21 2HD1 LEU 21 5.098 6.741 4.101 715 HD13 LEU 21 3HD1 LEU 21 6.753 6.192 4.367 716 HD21 LEU 21 1HD2 LEU 21 3.762 4.350 5.568 717 HD22 LEU 21 2HD2 LEU 21 3.654 3.231 4.212 718 HD23 LEU 21 3HD2 LEU 21 3.194 4.922 3.998 719 H ALA 22 H ALA 22 7.475 2.921 0.774 720 HA ALA 22 HA ALA 22 6.818 3.830 -1.839 721 HB1 ALA 22 1HB ALA 22 9.224 2.231 -0.883 722 HB2 ALA 22 2HB ALA 22 9.076 3.988 -0.881 723 HB3 ALA 22 3HB ALA 22 9.108 3.118 -2.411 724 H PHE 23 H PHE 23 7.175 0.581 -0.457 725 HA PHE 23 HA PHE 23 7.141 -0.894 -2.887 726 HB2 PHE 23 2HB PHE 23 8.075 -1.841 -0.829 727 HB3 PHE 23 3HB PHE 23 6.514 -1.749 -0.026 728 HD1 PHE 23 HD1 PHE 23 8.368 -3.461 -2.789 729 HD2 PHE 23 HD2 PHE 23 4.956 -3.557 -0.210 730 HE1 PHE 23 HE1 PHE 23 7.872 -5.762 -3.514 731 HE2 PHE 23 HE2 PHE 23 4.470 -5.844 -0.936 732 HZ PHE 23 HZ PHE 23 5.925 -6.955 -2.589 733 H LEU 24 H LEU 24 4.600 -0.366 -0.429 734 HA LEU 24 HA LEU 24 2.558 -1.636 -1.917 735 HB2 LEU 24 2HB LEU 24 1.002 -0.832 -0.238 736 HB3 LEU 24 3HB LEU 24 2.430 -1.505 0.500 737 HG LEU 24 HG LEU 24 3.196 0.978 0.833 738 HD11 LEU 24 1HD1 LEU 24 0.232 1.464 0.401 739 HD12 LEU 24 2HD1 LEU 24 1.548 2.077 -0.599 740 HD13 LEU 24 3HD1 LEU 24 1.386 2.627 1.063 741 HD21 LEU 24 1HD2 LEU 24 0.851 -0.109 2.436 742 HD22 LEU 24 2HD2 LEU 24 1.959 1.161 2.961 743 HD23 LEU 24 3HD2 LEU 24 2.557 -0.475 2.701 744 H LYS 25 H LYS 25 3.752 1.674 -1.829 745 HA LYS 25 HA LYS 25 1.663 2.998 -3.215 746 HB2 LYS 25 2HB LYS 25 3.329 4.287 -2.051 747 HB3 LYS 25 3HB LYS 25 4.645 3.565 -2.966 748 HG2 LYS 25 2HG LYS 25 3.863 4.749 -5.000 749 HG3 LYS 25 3HG LYS 25 2.557 5.484 -4.069 750 HD2 LYS 25 2HD LYS 25 5.530 5.867 -3.550 751 HD3 LYS 25 3HD LYS 25 4.485 7.025 -4.371 752 HE2 LYS 25 2HE LYS 25 4.207 6.125 -1.482 753 HE3 LYS 25 3HE LYS 25 4.862 7.670 -2.027 754 HZ1 LYS 25 1HZ LYS 25 2.598 7.953 -1.371 755 HZ2 LYS 25 2HZ LYS 25 2.076 6.704 -2.377 756 HZ3 LYS 25 3HZ LYS 25 2.683 8.134 -3.046 757 H LYS 26 H LYS 26 4.723 1.598 -4.450 758 HA LYS 26 HA LYS 26 4.301 2.369 -7.147 759 HB2 LYS 26 2HB LYS 26 6.182 0.895 -7.729 760 HB3 LYS 26 3HB LYS 26 6.569 1.860 -6.311 761 HG2 LYS 26 2HG LYS 26 6.227 -0.038 -4.846 762 HG3 LYS 26 3HG LYS 26 5.627 -1.021 -6.181 763 HD2 LYS 26 2HD LYS 26 7.888 -0.905 -7.241 764 HD3 LYS 26 3HD LYS 26 8.472 0.014 -5.848 765 HE2 LYS 26 2HE LYS 26 7.990 -1.879 -4.362 766 HE3 LYS 26 3HE LYS 26 7.309 -2.791 -5.712 767 HZ1 LYS 26 1HZ LYS 26 9.503 -2.714 -6.767 768 HZ2 LYS 26 2HZ LYS 26 9.533 -3.508 -5.279 769 HZ3 LYS 26 3HZ LYS 26 10.129 -1.932 -5.405 770 H GLU 27 H GLU 27 3.682 -0.679 -5.367 771 HA GLU 27 HA GLU 27 2.721 -2.094 -7.656 772 HB2 GLU 27 2HB GLU 27 2.137 -3.884 -6.209 773 HB3 GLU 27 3HB GLU 27 3.619 -3.195 -5.566 774 HG2 GLU 27 2HG GLU 27 2.423 -2.114 -3.773 775 HG3 GLU 27 3HG GLU 27 0.866 -2.555 -4.467 776 H TYR 28 H TYR 28 1.180 -0.062 -5.186 777 HA TYR 28 HA TYR 28 -1.538 -0.600 -5.682 778 HB2 TYR 28 2HB TYR 28 -0.855 0.781 -3.775 779 HB3 TYR 28 3HB TYR 28 -0.161 1.994 -4.838 780 HD1 TYR 28 HD1 TYR 28 -3.399 0.509 -3.686 781 HD2 TYR 28 HD2 TYR 28 -1.538 3.782 -5.712 782 HE1 TYR 28 HE1 TYR 28 -5.519 1.736 -3.659 783 HE2 TYR 28 HE2 TYR 28 -3.669 5.005 -5.681 784 HH TYR 28 HH TYR 28 -6.073 4.510 -5.514 785 H SER 29 H SER 29 0.616 1.850 -7.119 786 HA SER 29 HA SER 29 -1.259 3.025 -8.858 787 HB2 SER 29 2HB SER 29 1.776 2.893 -9.142 788 HB3 SER 29 3HB SER 29 0.707 4.059 -9.934 789 HG SER 29 HG SER 29 1.042 3.731 -7.131 790 H ARG 30 H ARG 30 1.120 0.429 -9.396 791 HA ARG 30 HA ARG 30 0.648 0.055 -12.184 792 HB2 ARG 30 2HB ARG 30 1.907 -1.768 -10.097 793 HB3 ARG 30 3HB ARG 30 1.914 -2.111 -11.823 794 HG2 ARG 30 2HG ARG 30 3.256 -0.098 -12.246 795 HG3 ARG 30 3HG ARG 30 3.214 0.307 -10.526 796 HD2 ARG 30 2HD ARG 30 5.347 -0.779 -11.193 797 HD3 ARG 30 3HD ARG 30 4.468 -1.713 -9.976 798 HE ARG 30 HE ARG 30 3.718 -2.673 -12.492 799 HH11 ARG 30 1HH1 ARG 30 6.631 -2.608 -10.523 800 HH12 ARG 30 2HH1 ARG 30 7.268 -4.064 -11.212 801 HH21 ARG 30 1HH2 ARG 30 4.545 -4.573 -13.371 802 HH22 ARG 30 2HH2 ARG 30 6.077 -5.187 -12.837 803 H THR 31 H THR 31 -0.498 -1.734 -9.314 804 HA THR 31 HA THR 31 -1.810 -3.717 -10.917 805 HB THR 31 HB THR 31 -0.667 -4.225 -8.685 806 HG1 THR 31 HG1 THR 31 -3.321 -5.164 -9.178 807 HG21 THR 31 1HG2 THR 31 -3.348 -3.334 -7.542 808 HG22 THR 31 2HG2 THR 31 -1.807 -2.524 -7.260 809 HG23 THR 31 3HG2 THR 31 -2.061 -4.162 -6.662 810 H LEU 32 H LEU 32 -2.832 -0.838 -9.181 811 HA LEU 32 HA LEU 32 -5.641 -1.238 -9.524 812 HB2 LEU 32 2HB LEU 32 -4.631 0.421 -7.948 813 HB3 LEU 32 3HB LEU 32 -4.110 1.393 -9.305 814 HG LEU 32 HG LEU 32 -7.073 0.823 -8.908 815 HD11 LEU 32 1HD1 LEU 32 -7.313 2.863 -7.567 816 HD12 LEU 32 2HD1 LEU 32 -5.560 3.065 -7.540 817 HD13 LEU 32 3HD1 LEU 32 -6.300 1.677 -6.743 818 HD21 LEU 32 1HD2 LEU 32 -5.613 3.178 -10.142 819 HD22 LEU 32 2HD2 LEU 32 -7.366 2.999 -10.031 820 HD23 LEU 32 3HD2 LEU 32 -6.430 1.886 -11.021 821 H ALA 33 H ALA 33 -3.089 0.380 -11.448 822 HA ALA 33 HA ALA 33 -4.600 1.349 -13.573 823 HB1 ALA 33 1HB ALA 33 -1.783 0.217 -13.701 824 HB2 ALA 33 2HB ALA 33 -2.216 1.867 -13.237 825 HB3 ALA 33 3HB ALA 33 -2.526 1.312 -14.882 826 H ARG 34 H ARG 34 -3.073 -1.872 -13.247 827 HA ARG 34 HA ARG 34 -3.970 -2.826 -15.801 828 HB2 ARG 34 2HB ARG 34 -2.888 -4.885 -15.269 829 HB3 ARG 34 3HB ARG 34 -1.886 -3.603 -14.604 830 HG2 ARG 34 2HG ARG 34 -3.033 -4.067 -12.361 831 HG3 ARG 34 3HG ARG 34 -3.673 -5.529 -13.108 832 HD2 ARG 34 2HD ARG 34 -0.751 -4.820 -12.733 833 HD3 ARG 34 3HD ARG 34 -1.661 -6.032 -11.827 834 HE ARG 34 HE ARG 34 -1.560 -6.440 -14.703 835 HH11 ARG 34 1HH1 ARG 34 -0.041 -7.232 -11.621 836 HH12 ARG 34 2HH1 ARG 34 0.735 -8.652 -12.246 837 HH21 ARG 34 1HH2 ARG 34 -0.517 -8.262 -15.500 838 HH22 ARG 34 2HH2 ARG 34 0.465 -9.236 -14.451 839 H LEU 35 H LEU 35 -5.199 -3.089 -12.487 840 HA LEU 35 HA LEU 35 -7.325 -4.885 -12.816 841 HB2 LEU 35 2HB LEU 35 -6.715 -4.037 -10.606 842 HB3 LEU 35 3HB LEU 35 -7.092 -2.395 -11.084 843 HG LEU 35 HG LEU 35 -9.527 -3.027 -11.228 844 HD11 LEU 35 1HD1 LEU 35 -9.314 -5.426 -11.644 845 HD12 LEU 35 2HD1 LEU 35 -10.327 -5.112 -10.237 846 HD13 LEU 35 3HD1 LEU 35 -8.664 -5.670 -10.020 847 HD21 LEU 35 1HD2 LEU 35 -8.638 -1.948 -9.211 848 HD22 LEU 35 2HD2 LEU 35 -8.249 -3.526 -8.521 849 HD23 LEU 35 3HD2 LEU 35 -9.931 -3.079 -8.813 850 H GLN 36 H GLN 36 -7.096 -1.383 -13.423 851 HA GLN 36 HA GLN 36 -9.756 -1.039 -14.356 852 HB2 GLN 36 2HB GLN 36 -7.348 0.710 -15.004 853 HB3 GLN 36 3HB GLN 36 -9.037 1.149 -15.212 854 HG2 GLN 36 2HG GLN 36 -7.553 0.740 -12.613 855 HG3 GLN 36 3HG GLN 36 -8.203 2.243 -13.245 856 HE21 GLN 36 1HE2 GLN 36 -8.650 0.779 -10.687 857 HE22 GLN 36 2HE2 GLN 36 -10.362 0.591 -10.561 858 H ARG 37 H ARG 37 -6.628 -1.609 -16.049 859 HA ARG 37 HA ARG 37 -7.596 -1.394 -18.697 860 HB2 ARG 37 2HB ARG 37 -5.257 -3.045 -17.654 861 HB3 ARG 37 3HB ARG 37 -5.555 -2.712 -19.356 862 HG2 ARG 37 2HG ARG 37 -4.886 -0.687 -17.210 863 HG3 ARG 37 3HG ARG 37 -3.829 -1.238 -18.500 864 HD2 ARG 37 2HD ARG 37 -6.385 0.360 -18.863 865 HD3 ARG 37 3HD ARG 37 -4.739 0.991 -18.971 866 HE ARG 37 HE ARG 37 -4.566 -0.825 -20.842 867 HH11 ARG 37 1HH1 ARG 37 -7.300 1.291 -20.246 868 HH12 ARG 37 2HH1 ARG 37 -7.799 1.310 -21.907 869 HH21 ARG 37 1HH2 ARG 37 -5.224 -0.757 -23.044 870 HH22 ARG 37 2HH2 ARG 37 -6.635 0.162 -23.476 871 H ALA 38 H ALA 38 -7.713 -4.038 -16.431 872 HA ALA 38 HA ALA 38 -8.538 -6.098 -18.229 873 HB1 ALA 38 1HB ALA 38 -9.088 -7.359 -16.188 874 HB2 ALA 38 2HB ALA 38 -8.922 -5.890 -15.219 875 HB3 ALA 38 3HB ALA 38 -7.516 -6.575 -16.033 876 H LYS 39 H LYS 39 -10.356 -4.074 -15.884 877 HA LYS 39 HA LYS 39 -12.916 -5.187 -16.642 878 HB2 LYS 39 2HB LYS 39 -13.840 -3.772 -14.882 879 HB3 LYS 39 3HB LYS 39 -12.391 -4.588 -14.314 880 HG2 LYS 39 2HG LYS 39 -11.097 -2.476 -14.732 881 HG3 LYS 39 3HG LYS 39 -12.609 -1.670 -15.133 882 HD2 LYS 39 2HD LYS 39 -11.915 -2.914 -12.439 883 HD3 LYS 39 3HD LYS 39 -11.924 -1.191 -12.811 884 HE2 LYS 39 2HE LYS 39 -14.358 -1.304 -13.254 885 HE3 LYS 39 3HE LYS 39 -14.344 -3.024 -12.857 886 HZ1 LYS 39 1HZ LYS 39 -13.652 -0.808 -11.005 887 HZ2 LYS 39 2HZ LYS 39 -13.604 -2.449 -10.623 888 HZ3 LYS 39 3HZ LYS 39 -15.083 -1.708 -10.977 889 H ARG 40 H ARG 40 -11.164 -2.337 -17.574 890 HA ARG 40 HA ARG 40 -13.451 -0.848 -18.562 891 HB2 ARG 40 2HB ARG 40 -10.458 -0.339 -18.755 892 HB3 ARG 40 3HB ARG 40 -11.660 0.739 -19.441 893 HG2 ARG 40 2HG ARG 40 -11.860 0.090 -16.509 894 HG3 ARG 40 3HG ARG 40 -10.584 1.181 -17.039 895 HD2 ARG 40 2HD ARG 40 -12.497 2.458 -16.316 896 HD3 ARG 40 3HD ARG 40 -12.285 2.655 -18.054 897 HE ARG 40 HE ARG 40 -14.159 0.592 -17.556 898 HH11 ARG 40 1HH1 ARG 40 -13.888 4.104 -17.322 899 HH12 ARG 40 2HH1 ARG 40 -15.592 4.370 -17.538 900 HH21 ARG 40 1HH2 ARG 40 -16.377 0.951 -17.886 901 HH22 ARG 40 2HH2 ARG 40 -17.011 2.572 -17.860 902 H ALA 41 H ALA 41 -10.686 -2.617 -19.983 903 HA ALA 41 HA ALA 41 -11.529 -2.209 -22.722 904 HB1 ALA 41 1HB ALA 41 -9.662 -3.726 -23.286 905 HB2 ALA 41 2HB ALA 41 -9.433 -4.101 -21.576 906 HB3 ALA 41 3HB ALA 41 -9.144 -2.462 -22.169 907 H GLU 42 H GLU 42 -11.333 -5.052 -20.543 908 HA GLU 42 HA GLU 42 -12.225 -7.141 -20.551 909 HB2 GLU 42 2HB GLU 42 -14.612 -5.709 -21.783 910 HB3 GLU 42 3HB GLU 42 -14.660 -7.328 -21.093 911 HG2 GLU 42 2HG GLU 42 -14.082 -6.434 -18.887 912 HG3 GLU 42 3HG GLU 42 -13.968 -4.809 -19.559 913 H LYS 43 H LYS 43 -10.745 -6.226 -22.938 914 HA LYS 43 HA LYS 43 -11.498 -7.074 -25.417 915 HB2 LYS 43 2HB LYS 43 -9.127 -7.315 -25.960 916 HB3 LYS 43 3HB LYS 43 -9.324 -5.948 -24.879 917 HG2 LYS 43 2HG LYS 43 -8.399 -8.692 -23.975 918 HG3 LYS 43 3HG LYS 43 -7.302 -7.387 -24.415 919 HD2 LYS 43 2HD LYS 43 -8.017 -6.047 -22.528 920 HD3 LYS 43 3HD LYS 43 -9.363 -7.138 -22.191 921 HE2 LYS 43 2HE LYS 43 -7.510 -7.445 -20.582 922 HE3 LYS 43 3HE LYS 43 -7.795 -8.906 -21.527 923 HZ1 LYS 43 1HZ LYS 43 -5.672 -6.911 -22.089 924 HZ2 LYS 43 2HZ LYS 43 -5.905 -8.383 -22.890 925 HZ3 LYS 43 3HZ LYS 43 -5.438 -8.369 -21.266 926 H ALA 44 H ALA 44 -10.375 -9.053 -22.789 927 HA ALA 44 HA ALA 44 -11.226 -11.522 -24.142 928 HB1 ALA 44 1HB ALA 44 -9.575 -12.691 -22.665 929 HB2 ALA 44 2HB ALA 44 -8.991 -11.124 -22.098 930 HB3 ALA 44 3HB ALA 44 -8.789 -11.582 -23.791 931 H LYS 45 H LYS 45 -13.306 -11.089 -23.389 932 HA LYS 45 HA LYS 45 -14.203 -10.446 -20.846 933 HB2 LYS 45 2HB LYS 45 -15.695 -10.548 -22.794 934 HB3 LYS 45 3HB LYS 45 -15.470 -12.287 -22.922 935 HG2 LYS 45 2HG LYS 45 -17.655 -11.842 -21.985 936 HG3 LYS 45 3HG LYS 45 -16.644 -12.580 -20.745 937 HD2 LYS 45 2HD LYS 45 -17.979 -10.792 -19.771 938 HD3 LYS 45 3HD LYS 45 -16.278 -10.332 -19.741 939 HE2 LYS 45 2HE LYS 45 -16.597 -8.835 -21.630 940 HE3 LYS 45 3HE LYS 45 -18.257 -9.393 -21.855 941 HZ1 LYS 45 1HZ LYS 45 -18.121 -7.245 -20.699 942 HZ2 LYS 45 2HZ LYS 45 -17.253 -7.963 -19.439 943 HZ3 LYS 45 3HZ LYS 45 -18.849 -8.425 -19.735 944 H ASN 46 H ASN 46 -13.433 -13.643 -22.184 945 HA ASN 46 HA ASN 46 -13.295 -15.741 -21.379 946 HB2 ASN 46 2HB ASN 46 -11.805 -14.102 -19.300 947 HB3 ASN 46 3HB ASN 46 -11.745 -15.865 -19.340 948 HD21 ASN 46 1HD2 ASN 46 -9.494 -15.671 -19.690 949 HD22 ASN 46 2HD2 ASN 46 -8.847 -15.334 -21.249 950 H SER 47 H SER 47 -15.775 -14.648 -20.843 951 HA SER 47 HA SER 47 -16.707 -15.261 -18.234 952 HB2 SER 47 2HB SER 47 -19.000 -15.177 -19.300 953 HB3 SER 47 3HB SER 47 -18.021 -13.740 -19.596 954 HG SER 47 HG SER 47 -17.770 -15.732 -21.494 955 H LYS 48 H LYS 48 -15.922 -17.220 -17.687 956 HA LYS 48 HA LYS 48 -17.155 -19.643 -18.748 957 HB2 LYS 48 2HB LYS 48 -15.169 -19.395 -20.178 958 HB3 LYS 48 3HB LYS 48 -14.134 -19.141 -18.777 959 HG2 LYS 48 2HG LYS 48 -14.572 -21.470 -18.036 960 HG3 LYS 48 3HG LYS 48 -15.605 -21.719 -19.448 961 HD2 LYS 48 2HD LYS 48 -13.325 -22.670 -19.771 962 HD3 LYS 48 3HD LYS 48 -13.685 -21.406 -20.950 963 HE2 LYS 48 2HE LYS 48 -12.366 -19.792 -19.611 964 HE3 LYS 48 3HE LYS 48 -12.015 -21.055 -18.431 965 HZ1 LYS 48 1HZ LYS 48 -10.776 -22.256 -20.050 966 HZ2 LYS 48 2HZ LYS 48 -10.215 -20.663 -20.055 967 HZ3 LYS 48 3HZ LYS 48 -11.233 -21.207 -21.292 968 H LYS 49 H LYS 49 -17.780 -20.689 -17.000 969 HA LYS 49 HA LYS 49 -17.142 -19.688 -14.384 970 HB2 LYS 49 2HB LYS 49 -19.441 -20.306 -15.135 971 HB3 LYS 49 3HB LYS 49 -18.940 -21.989 -15.240 972 HG2 LYS 49 2HG LYS 49 -18.367 -21.785 -12.712 973 HG3 LYS 49 3HG LYS 49 -19.299 -20.282 -12.762 974 HD2 LYS 49 2HD LYS 49 -20.735 -22.132 -12.023 975 HD3 LYS 49 3HD LYS 49 -21.271 -21.548 -13.601 976 HE2 LYS 49 2HE LYS 49 -20.149 -23.426 -14.708 977 HE3 LYS 49 3HE LYS 49 -19.512 -23.987 -13.161 978 HZ1 LYS 49 1HZ LYS 49 -21.488 -25.219 -13.895 979 HZ2 LYS 49 2HZ LYS 49 -22.406 -23.803 -13.826 980 HZ3 LYS 49 3HZ LYS 49 -21.734 -24.443 -12.412 981 H ALA 50 H ALA 50 -15.835 -20.574 -12.902 982 HA ALA 50 HA ALA 50 -14.100 -22.795 -13.560 983 HB1 ALA 50 1HB ALA 50 -13.228 -20.822 -12.369 984 HB2 ALA 50 2HB ALA 50 -13.023 -22.283 -11.404 985 HB3 ALA 50 3HB ALA 50 -14.313 -21.145 -11.014 986 H ILE 51 H ILE 51 -14.535 -24.857 -13.106 987 HA ILE 51 HA ILE 51 -16.985 -25.641 -11.825 988 HB ILE 51 HB ILE 51 -16.196 -28.021 -12.320 989 HG12 ILE 51 2HG1 ILE 51 -14.277 -28.151 -14.064 990 HG13 ILE 51 3HG1 ILE 51 -13.810 -26.545 -13.534 991 HG21 ILE 51 1HG2 ILE 51 -16.563 -27.796 -14.758 992 HG22 ILE 51 2HG2 ILE 51 -16.267 -26.061 -14.647 993 HG23 ILE 51 3HG2 ILE 51 -17.671 -26.768 -13.845 994 HD11 ILE 51 1HD1 ILE 51 -12.438 -28.332 -12.567 995 HD12 ILE 51 2HD1 ILE 51 -13.868 -29.003 -11.783 996 HD13 ILE 51 3HD1 ILE 51 -13.280 -27.402 -11.327 997 H GLU 52 H GLU 52 -14.024 -24.909 -10.537 998 HA GLU 52 HA GLU 52 -14.074 -26.679 -8.227 999 HB2 GLU 52 2HB GLU 52 -12.078 -25.308 -7.538 1000 HB3 GLU 52 3HB GLU 52 -11.912 -26.041 -9.129 1001 HG2 GLU 52 2HG GLU 52 -12.551 -23.853 -10.168 1002 HG3 GLU 52 3HG GLU 52 -12.592 -23.138 -8.559 1003 H ASP 53 H ASP 53 -14.443 -25.974 -6.079 1004 HA ASP 53 HA ASP 53 -15.621 -23.272 -5.658 1005 HB2 ASP 53 2HB ASP 53 -16.541 -25.937 -4.480 1006 HB3 ASP 53 3HB ASP 53 -16.979 -24.384 -3.772 1007 H GLY 54 H GLY 54 -14.930 -22.203 -3.831 1008 HA2 GLY 54 2HA GLY 54 -12.896 -23.500 -2.078 1009 HA3 GLY 54 3HA GLY 54 -12.885 -21.797 -2.527 1010 H VAL 55 H VAL 55 -15.654 -23.784 -1.593 1011 HA VAL 55 HA VAL 55 -16.803 -21.832 0.079 1012 HB VAL 55 HB VAL 55 -18.183 -23.524 -1.033 1013 HG11 VAL 55 1HG1 VAL 55 -16.918 -25.596 0.789 1014 HG12 VAL 55 2HG1 VAL 55 -16.674 -25.452 -0.951 1015 HG13 VAL 55 3HG1 VAL 55 -18.264 -25.884 -0.320 1016 HG21 VAL 55 1HG2 VAL 55 -18.438 -23.762 1.992 1017 HG22 VAL 55 2HG2 VAL 55 -19.701 -24.161 0.823 1018 HG23 VAL 55 3HG2 VAL 55 -19.143 -22.496 0.985 1019 HA PRO 56 HA PRO 56 -14.382 -22.759 3.834 1020 HB2 PRO 56 2HB PRO 56 -15.324 -20.776 5.438 1021 HB3 PRO 56 3HB PRO 56 -14.266 -20.415 4.057 1022 HG2 PRO 56 2HG PRO 56 -17.241 -20.147 4.263 1023 HG3 PRO 56 3HG PRO 56 -16.062 -19.045 3.517 1024 HD2 PRO 56 2HD PRO 56 -17.588 -20.862 2.089 1025 HD3 PRO 56 3HD PRO 56 -16.028 -20.221 1.531 1026 H GLN 57 H GLN 57 -14.861 -23.232 6.144 1027 HA GLN 57 HA GLN 57 -17.264 -24.796 6.538 1028 HB2 GLN 57 2HB GLN 57 -14.957 -24.121 8.411 1029 HB3 GLN 57 3HB GLN 57 -16.337 -25.078 8.907 1030 HG2 GLN 57 2HG GLN 57 -14.499 -26.559 8.405 1031 HG3 GLN 57 3HG GLN 57 -15.761 -26.781 7.203 1032 HE21 GLN 57 1HE2 GLN 57 -12.532 -25.566 7.774 1033 HE22 GLN 57 2HE2 GLN 57 -12.053 -25.499 6.114 1034 HA PRO 58 HA PRO 58 -19.641 -21.089 7.703 1035 HB2 PRO 58 2HB PRO 58 -21.763 -22.454 8.948 1036 HB3 PRO 58 3HB PRO 58 -21.613 -22.163 7.213 1037 HG2 PRO 58 2HG PRO 58 -20.902 -24.619 8.749 1038 HG3 PRO 58 3HG PRO 58 -21.711 -24.479 7.172 1039 HD2 PRO 58 2HD PRO 58 -19.109 -25.131 7.321 1040 HD3 PRO 58 3HD PRO 58 -19.699 -24.053 6.029 1041 H GLU 59 H GLU 59 -18.969 -23.631 10.070 1042 HA GLU 59 HA GLU 59 -18.269 -21.615 12.076 1043 HB2 GLU 59 2HB GLU 59 -20.688 -22.009 12.456 1044 HB3 GLU 59 3HB GLU 59 -20.395 -23.736 12.616 1045 HG2 GLU 59 2HG GLU 59 -18.952 -23.234 14.623 1046 HG3 GLU 59 3HG GLU 59 -19.445 -21.547 14.493 1047 H ALA 60 H ALA 60 -18.936 -25.131 12.056 1048 HA ALA 60 HA ALA 60 -17.873 -26.933 12.872 1049 HB1 ALA 60 1HB ALA 60 -16.519 -26.594 10.832 1050 HB2 ALA 60 2HB ALA 60 -15.559 -27.314 12.125 1051 HB3 ALA 60 3HB ALA 60 -15.381 -25.600 11.744 1052 H LEU 61 H LEU 61 -18.465 -26.218 15.045 1053 HA LEU 61 HA LEU 61 -16.177 -25.357 16.746 1054 HB2 LEU 61 2HB LEU 61 -17.910 -23.572 16.424 1055 HB3 LEU 61 3HB LEU 61 -19.128 -24.651 17.075 1056 HG LEU 61 HG LEU 61 -17.972 -24.619 19.284 1057 HD11 LEU 61 1HD1 LEU 61 -15.673 -24.225 18.566 1058 HD12 LEU 61 2HD1 LEU 61 -16.173 -23.006 19.735 1059 HD13 LEU 61 3HD1 LEU 61 -16.097 -22.600 18.018 1060 HD21 LEU 61 1HD2 LEU 61 -19.788 -23.029 18.852 1061 HD22 LEU 61 2HD2 LEU 61 -18.630 -21.854 18.223 1062 HD23 LEU 61 3HD2 LEU 61 -18.573 -22.331 19.923 1063 H GLU 62 H GLU 62 -16.241 -26.146 18.935 1064 HA GLU 62 HA GLU 62 -16.814 -28.838 19.340 1065 HB2 GLU 62 2HB GLU 62 -16.386 -28.318 21.791 1066 HB3 GLU 62 3HB GLU 62 -15.129 -27.803 20.682 1067 HG2 GLU 62 2HG GLU 62 -15.862 -25.471 20.842 1068 HG3 GLU 62 3HG GLU 62 -17.233 -25.947 21.840 Start of MODEL 4 1 H1 MET 1 1H MET 1 5.221 -13.910 -10.957 2 H2 MET 1 2H MET 1 4.041 -13.360 -12.029 3 H3 MET 1 3H MET 1 4.452 -14.995 -12.004 4 HA MET 1 HA MET 1 3.605 -15.200 -9.752 5 HB2 MET 1 2HB MET 1 2.717 -12.313 -10.200 6 HB3 MET 1 3HB MET 1 2.280 -13.299 -8.809 7 HG2 MET 1 2HG MET 1 4.698 -13.422 -8.199 8 HG3 MET 1 3HG MET 1 5.057 -12.325 -9.533 9 HE1 MET 1 1HE MET 1 2.485 -10.314 -9.352 10 HE2 MET 1 2HE MET 1 4.142 -9.770 -9.623 11 HE3 MET 1 3HE MET 1 3.177 -9.048 -8.337 12 H GLU 2 H GLU 2 0.997 -14.914 -9.312 13 HA GLU 2 HA GLU 2 -0.371 -16.118 -11.528 14 HB2 GLU 2 2HB GLU 2 -1.460 -15.033 -8.893 15 HB3 GLU 2 3HB GLU 2 -2.409 -15.953 -10.062 16 HG2 GLU 2 2HG GLU 2 -0.921 -17.899 -9.747 17 HG3 GLU 2 3HG GLU 2 0.042 -16.974 -8.593 18 H GLU 3 H GLU 3 -0.322 -14.725 -13.233 19 HA GLU 3 HA GLU 3 -1.707 -12.112 -13.043 20 HB2 GLU 3 2HB GLU 3 0.961 -12.678 -14.438 21 HB3 GLU 3 3HB GLU 3 0.061 -11.165 -14.568 22 HG2 GLU 3 2HG GLU 3 0.360 -10.701 -12.196 23 HG3 GLU 3 3HG GLU 3 1.073 -12.288 -11.929 24 H LEU 4 H LEU 4 -2.483 -11.336 -15.119 25 HA LEU 4 HA LEU 4 -4.122 -13.394 -16.238 26 HB2 LEU 4 2HB LEU 4 -3.984 -10.533 -17.260 27 HB3 LEU 4 3HB LEU 4 -5.362 -11.622 -17.276 28 HG LEU 4 HG LEU 4 -4.184 -10.186 -14.862 29 HD11 LEU 4 1HD1 LEU 4 -6.357 -9.036 -14.758 30 HD12 LEU 4 2HD1 LEU 4 -6.865 -9.850 -16.237 31 HD13 LEU 4 3HD1 LEU 4 -5.509 -8.721 -16.272 32 HD21 LEU 4 1HD2 LEU 4 -5.998 -11.209 -13.529 33 HD22 LEU 4 2HD2 LEU 4 -4.848 -12.394 -14.142 34 HD23 LEU 4 3HD2 LEU 4 -6.427 -12.221 -14.913 35 H SER 5 H SER 5 -3.217 -14.735 -17.674 36 HA SER 5 HA SER 5 -1.524 -13.723 -19.884 37 HB2 SER 5 2HB SER 5 -2.040 -16.601 -18.996 38 HB3 SER 5 3HB SER 5 -0.843 -16.061 -20.181 39 HG SER 5 HG SER 5 -0.798 -14.995 -17.578 40 H GLY 6 H GLY 6 -2.976 -12.946 -21.378 41 HA2 GLY 6 2HA GLY 6 -4.290 -13.150 -23.268 42 HA3 GLY 6 3HA GLY 6 -4.603 -14.831 -22.875 43 H LYS 7 H LYS 7 -5.913 -15.011 -20.703 44 HA LYS 7 HA LYS 7 -8.477 -13.759 -21.162 45 HB2 LYS 7 2HB LYS 7 -7.521 -15.802 -19.092 46 HB3 LYS 7 3HB LYS 7 -9.175 -15.203 -19.161 47 HG2 LYS 7 2HG LYS 7 -9.198 -17.301 -20.269 48 HG3 LYS 7 3HG LYS 7 -9.300 -16.084 -21.542 49 HD2 LYS 7 2HD LYS 7 -6.836 -16.357 -21.937 50 HD3 LYS 7 3HD LYS 7 -6.810 -17.635 -20.719 51 HE2 LYS 7 2HE LYS 7 -8.397 -18.949 -22.104 52 HE3 LYS 7 3HE LYS 7 -8.357 -17.675 -23.330 53 HZ1 LYS 7 1HZ LYS 7 -6.033 -19.282 -22.415 54 HZ2 LYS 7 2HZ LYS 7 -5.980 -18.051 -23.570 55 HZ3 LYS 7 3HZ LYS 7 -6.852 -19.461 -23.885 56 HA PRO 8 HA PRO 8 -8.094 -10.560 -18.000 57 HB2 PRO 8 2HB PRO 8 -10.658 -10.145 -17.209 58 HB3 PRO 8 3HB PRO 8 -10.155 -9.795 -18.879 59 HG2 PRO 8 2HG PRO 8 -11.545 -12.254 -17.824 60 HG3 PRO 8 3HG PRO 8 -11.957 -11.258 -19.241 61 HD2 PRO 8 2HD PRO 8 -10.526 -13.562 -19.484 62 HD3 PRO 8 3HD PRO 8 -10.262 -12.170 -20.558 63 H LEU 9 H LEU 9 -9.228 -10.109 -15.651 64 HA LEU 9 HA LEU 9 -8.320 -12.218 -13.901 65 HB2 LEU 9 2HB LEU 9 -9.034 -10.579 -12.072 66 HB3 LEU 9 3HB LEU 9 -7.770 -10.054 -13.167 67 HG LEU 9 HG LEU 9 -9.642 -8.775 -14.455 68 HD11 LEU 9 1HD1 LEU 9 -11.577 -8.034 -13.124 69 HD12 LEU 9 2HD1 LEU 9 -11.140 -9.185 -11.858 70 HD13 LEU 9 3HD1 LEU 9 -11.616 -9.768 -13.452 71 HD21 LEU 9 1HD2 LEU 9 -8.823 -7.840 -11.698 72 HD22 LEU 9 2HD2 LEU 9 -9.441 -6.817 -13.001 73 HD23 LEU 9 3HD2 LEU 9 -7.901 -7.654 -13.192 74 H SER 10 H SER 10 -9.557 -13.347 -12.394 75 HA SER 10 HA SER 10 -12.372 -13.777 -13.038 76 HB2 SER 10 2HB SER 10 -10.614 -15.088 -10.915 77 HB3 SER 10 3HB SER 10 -12.183 -15.664 -11.486 78 HG SER 10 HG SER 10 -9.878 -16.330 -12.410 79 H TYR 11 H TYR 11 -13.819 -14.039 -11.016 80 HA TYR 11 HA TYR 11 -14.206 -11.602 -9.694 81 HB2 TYR 11 2HB TYR 11 -16.030 -13.193 -10.026 82 HB3 TYR 11 3HB TYR 11 -15.217 -14.411 -9.051 83 HD1 TYR 11 HD1 TYR 11 -16.867 -11.055 -8.873 84 HD2 TYR 11 HD2 TYR 11 -15.594 -14.495 -6.673 85 HE1 TYR 11 HE1 TYR 11 -18.094 -10.260 -6.895 86 HE2 TYR 11 HE2 TYR 11 -16.815 -13.690 -4.704 87 HH TYR 11 HH TYR 11 -19.134 -11.359 -4.820 88 H ALA 12 H ALA 12 -12.552 -14.562 -8.736 89 HA ALA 12 HA ALA 12 -11.995 -14.032 -6.043 90 HB1 ALA 12 1HB ALA 12 -10.265 -15.766 -6.263 91 HB2 ALA 12 2HB ALA 12 -10.382 -15.678 -8.026 92 HB3 ALA 12 3HB ALA 12 -11.753 -16.254 -7.073 93 H GLU 13 H GLU 13 -9.988 -13.515 -8.963 94 HA GLU 13 HA GLU 13 -7.792 -12.272 -7.738 95 HB2 GLU 13 2HB GLU 13 -8.858 -12.331 -10.570 96 HB3 GLU 13 3HB GLU 13 -7.520 -11.253 -10.187 97 HG2 GLU 13 2HG GLU 13 -6.866 -13.479 -11.149 98 HG3 GLU 13 3HG GLU 13 -6.082 -13.056 -9.627 99 H LYS 14 H LYS 14 -10.783 -10.939 -9.029 100 HA LYS 14 HA LYS 14 -10.088 -8.210 -9.002 101 HB2 LYS 14 2HB LYS 14 -11.992 -9.302 -10.277 102 HB3 LYS 14 3HB LYS 14 -12.887 -9.412 -8.772 103 HG2 LYS 14 2HG LYS 14 -11.896 -6.728 -9.776 104 HG3 LYS 14 3HG LYS 14 -13.365 -7.436 -10.438 105 HD2 LYS 14 2HD LYS 14 -12.893 -6.743 -7.508 106 HD3 LYS 14 3HD LYS 14 -13.873 -5.816 -8.647 107 HE2 LYS 14 2HE LYS 14 -15.388 -7.784 -8.912 108 HE3 LYS 14 3HE LYS 14 -14.430 -8.659 -7.714 109 HZ1 LYS 14 1HZ LYS 14 -15.054 -7.052 -6.053 110 HZ2 LYS 14 2HZ LYS 14 -16.452 -7.640 -6.792 111 HZ3 LYS 14 3HZ LYS 14 -15.864 -6.114 -7.194 112 H GLU 15 H GLU 15 -11.765 -10.276 -6.597 113 HA GLU 15 HA GLU 15 -12.323 -8.091 -4.820 114 HB2 GLU 15 2HB GLU 15 -13.173 -9.732 -3.233 115 HB3 GLU 15 3HB GLU 15 -13.824 -10.033 -4.838 116 HG2 GLU 15 2HG GLU 15 -12.445 -11.968 -5.135 117 HG3 GLU 15 3HG GLU 15 -11.462 -11.559 -3.729 118 H LYS 16 H LYS 16 -9.805 -10.639 -4.920 119 HA LYS 16 HA LYS 16 -8.655 -9.990 -2.394 120 HB2 LYS 16 2HB LYS 16 -6.810 -11.423 -2.948 121 HB3 LYS 16 3HB LYS 16 -8.269 -12.180 -3.569 122 HG2 LYS 16 2HG LYS 16 -7.699 -11.346 -5.852 123 HG3 LYS 16 3HG LYS 16 -6.209 -10.660 -5.207 124 HD2 LYS 16 2HD LYS 16 -5.766 -12.800 -6.326 125 HD3 LYS 16 3HD LYS 16 -5.419 -12.931 -4.602 126 HE2 LYS 16 2HE LYS 16 -7.516 -14.120 -4.234 127 HE3 LYS 16 3HE LYS 16 -7.991 -13.862 -5.915 128 HZ1 LYS 16 1HZ LYS 16 -7.114 -16.094 -5.493 129 HZ2 LYS 16 2HZ LYS 16 -5.620 -15.431 -5.064 130 HZ3 LYS 16 3HZ LYS 16 -6.202 -15.255 -6.643 131 H LEU 17 H LEU 17 -8.272 -8.726 -5.633 132 HA LEU 17 HA LEU 17 -5.864 -7.269 -5.127 133 HB2 LEU 17 2HB LEU 17 -6.868 -8.116 -7.401 134 HB3 LEU 17 3HB LEU 17 -7.782 -6.622 -7.390 135 HG LEU 17 HG LEU 17 -5.611 -6.621 -8.755 136 HD11 LEU 17 1HD1 LEU 17 -5.756 -4.483 -6.609 137 HD12 LEU 17 2HD1 LEU 17 -6.681 -4.501 -8.111 138 HD13 LEU 17 3HD1 LEU 17 -4.926 -4.362 -8.167 139 HD21 LEU 17 1HD2 LEU 17 -3.476 -6.377 -7.567 140 HD22 LEU 17 2HD2 LEU 17 -4.228 -7.916 -7.164 141 HD23 LEU 17 3HD2 LEU 17 -4.286 -6.579 -6.008 142 H LYS 18 H LYS 18 -9.348 -6.335 -5.288 143 HA LYS 18 HA LYS 18 -8.837 -3.566 -4.842 144 HB2 LYS 18 2HB LYS 18 -11.285 -3.315 -4.503 145 HB3 LYS 18 3HB LYS 18 -10.900 -4.212 -5.958 146 HG2 LYS 18 2HG LYS 18 -12.709 -5.406 -5.134 147 HG3 LYS 18 3HG LYS 18 -11.351 -6.333 -4.500 148 HD2 LYS 18 2HD LYS 18 -11.634 -5.084 -2.307 149 HD3 LYS 18 3HD LYS 18 -13.087 -4.342 -2.974 150 HE2 LYS 18 2HE LYS 18 -14.162 -6.518 -3.153 151 HE3 LYS 18 3HE LYS 18 -12.680 -7.334 -2.645 152 HZ1 LYS 18 1HZ LYS 18 -12.866 -6.154 -0.506 153 HZ2 LYS 18 2HZ LYS 18 -14.173 -7.175 -0.804 154 HZ3 LYS 18 3HZ LYS 18 -14.348 -5.506 -1.001 155 H GLU 19 H GLU 19 -9.442 -6.307 -2.658 156 HA GLU 19 HA GLU 19 -9.710 -4.683 -0.290 157 HB2 GLU 19 2HB GLU 19 -9.728 -6.705 1.001 158 HB3 GLU 19 3HB GLU 19 -10.657 -7.026 -0.459 159 HG2 GLU 19 2HG GLU 19 -8.729 -8.213 -1.426 160 HG3 GLU 19 3HG GLU 19 -7.790 -7.884 0.024 161 H LYS 20 H LYS 20 -7.061 -6.329 -1.998 162 HA LYS 20 HA LYS 20 -4.964 -5.842 -0.232 163 HB2 LYS 20 2HB LYS 20 -4.141 -7.114 -1.954 164 HB3 LYS 20 3HB LYS 20 -5.163 -6.360 -3.163 165 HG2 LYS 20 2HG LYS 20 -3.617 -4.618 -3.591 166 HG3 LYS 20 3HG LYS 20 -2.787 -4.843 -2.049 167 HD2 LYS 20 2HD LYS 20 -2.694 -6.818 -4.357 168 HD3 LYS 20 3HD LYS 20 -1.459 -5.600 -4.020 169 HE2 LYS 20 2HE LYS 20 -1.260 -6.686 -1.678 170 HE3 LYS 20 3HE LYS 20 -2.202 -8.020 -2.350 171 HZ1 LYS 20 1HZ LYS 20 -0.499 -8.294 -4.055 172 HZ2 LYS 20 2HZ LYS 20 0.147 -8.465 -2.505 173 HZ3 LYS 20 3HZ LYS 20 0.411 -7.040 -3.373 174 H LEU 21 H LEU 21 -6.289 -3.745 -2.799 175 HA LEU 21 HA LEU 21 -4.521 -1.588 -2.542 176 HB2 LEU 21 2HB LEU 21 -7.436 -1.516 -3.429 177 HB3 LEU 21 3HB LEU 21 -6.257 -0.239 -3.708 178 HG LEU 21 HG LEU 21 -6.192 -3.032 -4.912 179 HD11 LEU 21 1HD1 LEU 21 -7.897 -1.617 -5.912 180 HD12 LEU 21 2HD1 LEU 21 -6.582 -1.910 -7.046 181 HD13 LEU 21 3HD1 LEU 21 -6.704 -0.352 -6.222 182 HD21 LEU 21 1HD2 LEU 21 -3.907 -2.279 -4.484 183 HD22 LEU 21 2HD2 LEU 21 -4.223 -0.765 -5.337 184 HD23 LEU 21 3HD2 LEU 21 -4.252 -2.297 -6.211 185 H ALA 22 H ALA 22 -7.655 -2.222 -1.009 186 HA ALA 22 HA ALA 22 -7.834 0.188 0.509 187 HB1 ALA 22 1HB ALA 22 -9.237 -2.483 0.933 188 HB2 ALA 22 2HB ALA 22 -9.808 -1.165 -0.089 189 HB3 ALA 22 3HB ALA 22 -9.701 -0.932 1.654 190 H PHE 23 H PHE 23 -6.373 -2.958 1.113 191 HA PHE 23 HA PHE 23 -6.137 -2.700 3.963 192 HB2 PHE 23 2HB PHE 23 -6.219 -4.921 2.926 193 HB3 PHE 23 3HB PHE 23 -4.759 -4.590 2.004 194 HD1 PHE 23 HD1 PHE 23 -6.038 -4.968 5.510 195 HD2 PHE 23 HD2 PHE 23 -2.636 -5.146 2.913 196 HE1 PHE 23 HE1 PHE 23 -4.679 -5.909 7.337 197 HE2 PHE 23 HE2 PHE 23 -1.295 -6.074 4.738 198 HZ PHE 23 HZ PHE 23 -2.308 -6.460 6.952 199 H LEU 24 H LEU 24 -3.772 -2.559 1.297 200 HA LEU 24 HA LEU 24 -1.631 -1.719 2.912 201 HB2 LEU 24 2HB LEU 24 -0.409 -1.278 0.849 202 HB3 LEU 24 3HB LEU 24 -1.202 -2.833 0.818 203 HG LEU 24 HG LEU 24 -3.020 -1.661 -0.653 204 HD11 LEU 24 1HD1 LEU 24 -0.791 0.355 -1.051 205 HD12 LEU 24 2HD1 LEU 24 -2.367 0.662 -0.323 206 HD13 LEU 24 3HD1 LEU 24 -2.262 0.226 -2.021 207 HD21 LEU 24 1HD2 LEU 24 -1.493 -3.361 -1.526 208 HD22 LEU 24 2HD2 LEU 24 -0.254 -2.135 -1.813 209 HD23 LEU 24 3HD2 LEU 24 -1.771 -2.093 -2.717 210 H LYS 25 H LYS 25 -4.172 0.031 1.221 211 HA LYS 25 HA LYS 25 -3.117 2.660 1.489 212 HB2 LYS 25 2HB LYS 25 -4.849 2.173 -0.133 213 HB3 LYS 25 3HB LYS 25 -5.972 1.659 1.120 214 HG2 LYS 25 2HG LYS 25 -6.141 3.970 1.949 215 HG3 LYS 25 3HG LYS 25 -4.941 4.506 0.768 216 HD2 LYS 25 2HD LYS 25 -7.675 3.329 0.116 217 HD3 LYS 25 3HD LYS 25 -7.248 5.039 0.027 218 HE2 LYS 25 2HE LYS 25 -5.563 4.506 -1.724 219 HE3 LYS 25 3HE LYS 25 -6.037 2.808 -1.644 220 HZ1 LYS 25 1HZ LYS 25 -7.805 5.056 -2.434 221 HZ2 LYS 25 2HZ LYS 25 -8.247 3.427 -2.378 222 HZ3 LYS 25 3HZ LYS 25 -7.085 3.949 -3.490 223 H LYS 26 H LYS 26 -5.291 0.712 3.593 224 HA LYS 26 HA LYS 26 -5.972 2.899 5.295 225 HB2 LYS 26 2HB LYS 26 -7.030 1.333 6.784 226 HB3 LYS 26 3HB LYS 26 -7.370 0.823 5.140 227 HG2 LYS 26 2HG LYS 26 -5.705 -0.975 5.328 228 HG3 LYS 26 3HG LYS 26 -5.285 -0.441 6.951 229 HD2 LYS 26 2HD LYS 26 -6.696 -2.258 7.356 230 HD3 LYS 26 3HD LYS 26 -7.797 -0.893 7.513 231 HE2 LYS 26 2HE LYS 26 -7.513 -2.711 5.094 232 HE3 LYS 26 3HE LYS 26 -8.831 -2.731 6.258 233 HZ1 LYS 26 1HZ LYS 26 -9.412 -0.483 5.543 234 HZ2 LYS 26 2HZ LYS 26 -9.489 -1.590 4.269 235 HZ3 LYS 26 3HZ LYS 26 -8.185 -0.522 4.383 236 H GLU 27 H GLU 27 -3.541 0.283 5.520 237 HA GLU 27 HA GLU 27 -2.435 1.205 7.995 238 HB2 GLU 27 2HB GLU 27 -0.618 -0.381 7.630 239 HB3 GLU 27 3HB GLU 27 -2.176 -1.143 7.344 240 HG2 GLU 27 2HG GLU 27 -1.833 -1.105 4.954 241 HG3 GLU 27 3HG GLU 27 -0.374 -0.132 5.124 242 H TYR 28 H TYR 28 -1.709 1.806 4.559 243 HA TYR 28 HA TYR 28 0.726 3.157 4.741 244 HB2 TYR 28 2HB TYR 28 -0.166 2.658 2.549 245 HB3 TYR 28 3HB TYR 28 -1.627 3.583 2.846 246 HD1 TYR 28 HD1 TYR 28 2.028 3.868 2.169 247 HD2 TYR 28 HD2 TYR 28 -1.695 5.958 2.343 248 HE1 TYR 28 HE1 TYR 28 3.072 5.816 1.105 249 HE2 TYR 28 HE2 TYR 28 -0.651 7.906 1.283 250 HH TYR 28 HH TYR 28 1.581 8.876 1.012 251 H SER 29 H SER 29 -2.569 4.484 4.912 252 HA SER 29 HA SER 29 -1.857 7.189 5.205 253 HB2 SER 29 2HB SER 29 -4.093 6.400 4.425 254 HB3 SER 29 3HB SER 29 -4.451 5.818 6.052 255 HG SER 29 HG SER 29 -3.811 8.510 5.400 256 H ARG 30 H ARG 30 -2.760 4.695 7.601 257 HA ARG 30 HA ARG 30 -2.644 6.411 9.885 258 HB2 ARG 30 2HB ARG 30 -2.527 3.380 9.658 259 HB3 ARG 30 3HB ARG 30 -2.674 4.253 11.183 260 HG2 ARG 30 2HG ARG 30 -4.836 5.179 10.476 261 HG3 ARG 30 3HG ARG 30 -4.693 4.356 8.916 262 HD2 ARG 30 2HD ARG 30 -6.161 3.115 10.450 263 HD3 ARG 30 3HD ARG 30 -4.720 2.175 10.044 264 HE ARG 30 HE ARG 30 -4.285 3.633 12.434 265 HH11 ARG 30 1HH1 ARG 30 -6.049 0.844 11.265 266 HH12 ARG 30 2HH1 ARG 30 -6.051 0.048 12.804 267 HH21 ARG 30 1HH2 ARG 30 -4.275 2.601 14.441 268 HH22 ARG 30 2HH2 ARG 30 -5.038 1.053 14.622 269 H THR 31 H THR 31 -0.308 4.099 8.499 270 HA THR 31 HA THR 31 1.517 4.430 10.681 271 HB THR 31 HB THR 31 1.208 2.238 9.368 272 HG1 THR 31 HG1 THR 31 3.854 3.201 9.839 273 HG21 THR 31 1HG2 THR 31 1.612 3.096 7.070 274 HG22 THR 31 2HG2 THR 31 2.773 1.843 7.506 275 HG23 THR 31 3HG2 THR 31 3.254 3.541 7.526 276 H LEU 32 H LEU 32 1.229 5.775 7.454 277 HA LEU 32 HA LEU 32 3.700 7.196 7.459 278 HB2 LEU 32 2HB LEU 32 2.395 6.868 5.413 279 HB3 LEU 32 3HB LEU 32 1.082 7.841 6.038 280 HG LEU 32 HG LEU 32 3.786 9.196 5.775 281 HD11 LEU 32 1HD1 LEU 32 3.467 9.698 3.400 282 HD12 LEU 32 2HD1 LEU 32 2.047 8.651 3.346 283 HD13 LEU 32 3HD1 LEU 32 3.641 7.963 3.659 284 HD21 LEU 32 1HD2 LEU 32 2.427 11.159 5.146 285 HD22 LEU 32 2HD2 LEU 32 1.875 10.474 6.673 286 HD23 LEU 32 3HD2 LEU 32 0.960 10.173 5.195 287 H ALA 33 H ALA 33 0.421 7.903 8.668 288 HA ALA 33 HA ALA 33 0.741 10.557 9.470 289 HB1 ALA 33 1HB ALA 33 -1.430 9.394 9.424 290 HB2 ALA 33 2HB ALA 33 -1.148 10.165 10.984 291 HB3 ALA 33 3HB ALA 33 -0.946 8.417 10.813 292 H ARG 34 H ARG 34 1.265 7.577 11.409 293 HA ARG 34 HA ARG 34 2.184 8.888 13.763 294 HB2 ARG 34 2HB ARG 34 2.672 6.703 14.640 295 HB3 ARG 34 3HB ARG 34 1.204 6.561 13.685 296 HG2 ARG 34 2HG ARG 34 2.790 5.751 11.780 297 HG3 ARG 34 3HG ARG 34 3.972 5.515 13.065 298 HD2 ARG 34 2HD ARG 34 1.227 4.231 12.912 299 HD3 ARG 34 3HD ARG 34 2.758 3.449 12.505 300 HE ARG 34 HE ARG 34 2.821 4.442 15.166 301 HH11 ARG 34 1HH1 ARG 34 1.462 1.826 13.233 302 HH12 ARG 34 2HH1 ARG 34 1.367 0.734 14.574 303 HH21 ARG 34 1HH2 ARG 34 2.693 2.991 16.886 304 HH22 ARG 34 2HH2 ARG 34 2.067 1.400 16.635 305 H LEU 35 H LEU 35 3.815 7.569 10.908 306 HA LEU 35 HA LEU 35 6.507 7.794 11.664 307 HB2 LEU 35 2HB LEU 35 5.761 6.660 9.597 308 HB3 LEU 35 3HB LEU 35 5.216 8.190 8.937 309 HG LEU 35 HG LEU 35 7.616 8.982 8.923 310 HD11 LEU 35 1HD1 LEU 35 8.559 7.542 10.637 311 HD12 LEU 35 2HD1 LEU 35 9.437 7.371 9.121 312 HD13 LEU 35 3HD1 LEU 35 8.299 6.117 9.625 313 HD21 LEU 35 1HD2 LEU 35 7.073 6.494 7.276 314 HD22 LEU 35 2HD2 LEU 35 8.279 7.736 6.926 315 HD23 LEU 35 3HD2 LEU 35 6.565 8.138 6.882 316 H GLN 36 H GLN 36 4.260 10.180 10.236 317 HA GLN 36 HA GLN 36 6.152 12.312 10.016 318 HB2 GLN 36 2HB GLN 36 3.098 12.449 10.037 319 HB3 GLN 36 3HB GLN 36 4.170 13.776 9.598 320 HG2 GLN 36 2HG GLN 36 3.855 11.160 8.109 321 HG3 GLN 36 3HG GLN 36 3.237 12.725 7.604 322 HE21 GLN 36 1HE2 GLN 36 5.080 10.847 6.258 323 HE22 GLN 36 2HE2 GLN 36 6.500 11.764 5.908 324 H ARG 37 H ARG 37 3.803 11.332 12.487 325 HA ARG 37 HA ARG 37 4.052 13.651 14.129 326 HB2 ARG 37 2HB ARG 37 3.157 10.818 14.829 327 HB3 ARG 37 3HB ARG 37 3.031 12.189 15.929 328 HG2 ARG 37 2HG ARG 37 1.628 11.943 13.251 329 HG3 ARG 37 3HG ARG 37 0.884 11.691 14.828 330 HD2 ARG 37 2HD ARG 37 1.315 14.061 15.406 331 HD3 ARG 37 3HD ARG 37 2.062 14.311 13.822 332 HE ARG 37 HE ARG 37 -0.322 13.408 13.094 333 HH11 ARG 37 1HH1 ARG 37 0.473 15.856 15.479 334 HH12 ARG 37 2HH1 ARG 37 -1.007 16.734 15.245 335 HH21 ARG 37 1HH2 ARG 37 -2.239 14.570 12.764 336 HH22 ARG 37 2HH2 ARG 37 -2.550 16.001 13.696 337 H ALA 38 H ALA 38 5.961 10.724 13.827 338 HA ALA 38 HA ALA 38 7.630 11.206 16.133 339 HB1 ALA 38 1HB ALA 38 8.136 9.437 13.703 340 HB2 ALA 38 2HB ALA 38 7.351 8.932 15.199 341 HB3 ALA 38 3HB ALA 38 9.049 9.406 15.219 342 H LYS 39 H LYS 39 8.193 11.516 12.605 343 HA LYS 39 HA LYS 39 10.867 12.501 12.993 344 HB2 LYS 39 2HB LYS 39 11.118 12.297 10.599 345 HB3 LYS 39 3HB LYS 39 10.247 10.892 11.196 346 HG2 LYS 39 2HG LYS 39 8.091 12.064 10.426 347 HG3 LYS 39 3HG LYS 39 9.125 13.224 9.594 348 HD2 LYS 39 2HD LYS 39 9.013 10.220 9.085 349 HD3 LYS 39 3HD LYS 39 8.340 11.477 8.048 350 HE2 LYS 39 2HE LYS 39 11.303 11.189 8.669 351 HE3 LYS 39 3HE LYS 39 10.515 10.548 7.228 352 HZ1 LYS 39 1HZ LYS 39 9.926 12.750 6.561 353 HZ2 LYS 39 2HZ LYS 39 11.588 12.702 6.856 354 HZ3 LYS 39 3HZ LYS 39 10.548 13.414 7.979 355 H ARG 40 H ARG 40 7.807 14.000 12.010 356 HA ARG 40 HA ARG 40 9.014 16.538 11.308 357 HB2 ARG 40 2HB ARG 40 6.086 15.752 11.636 358 HB3 ARG 40 3HB ARG 40 6.611 17.373 11.187 359 HG2 ARG 40 2HG ARG 40 7.310 14.909 9.562 360 HG3 ARG 40 3HG ARG 40 5.861 15.875 9.283 361 HD2 ARG 40 2HD ARG 40 7.555 16.553 7.713 362 HD3 ARG 40 3HD ARG 40 7.312 17.864 8.870 363 HE ARG 40 HE ARG 40 9.487 16.111 9.581 364 HH11 ARG 40 1HH1 ARG 40 8.666 18.873 7.559 365 HH12 ARG 40 2HH1 ARG 40 10.297 19.466 7.508 366 HH21 ARG 40 1HH2 ARG 40 11.611 16.958 9.564 367 HH22 ARG 40 2HH2 ARG 40 11.950 18.386 8.637 368 H ALA 41 H ALA 41 6.969 15.375 14.025 369 HA ALA 41 HA ALA 41 6.794 17.870 15.349 370 HB1 ALA 41 1HB ALA 41 5.184 16.048 15.738 371 HB2 ALA 41 2HB ALA 41 5.895 16.615 17.246 372 HB3 ALA 41 3HB ALA 41 6.442 15.095 16.534 373 H GLU 42 H GLU 42 8.900 15.032 15.887 374 HA GLU 42 HA GLU 42 10.784 14.650 17.100 375 HB2 GLU 42 2HB GLU 42 11.321 17.524 16.219 376 HB3 GLU 42 3HB GLU 42 12.550 16.465 16.913 377 HG2 GLU 42 2HG GLU 42 12.291 14.886 15.062 378 HG3 GLU 42 3HG GLU 42 10.997 15.869 14.380 379 H LYS 43 H LYS 43 8.526 15.509 18.563 380 HA LYS 43 HA LYS 43 8.895 17.067 20.791 381 HB2 LYS 43 2HB LYS 43 7.247 15.610 21.945 382 HB3 LYS 43 3HB LYS 43 6.756 15.973 20.303 383 HG2 LYS 43 2HG LYS 43 8.058 13.344 21.097 384 HG3 LYS 43 3HG LYS 43 6.315 13.598 21.088 385 HD2 LYS 43 2HD LYS 43 6.462 14.111 18.618 386 HD3 LYS 43 3HD LYS 43 8.182 13.727 18.682 387 HE2 LYS 43 2HE LYS 43 6.955 11.821 17.809 388 HE3 LYS 43 3HE LYS 43 7.599 11.406 19.398 389 HZ1 LYS 43 1HZ LYS 43 5.306 10.671 19.103 390 HZ2 LYS 43 2HZ LYS 43 4.803 12.263 18.851 391 HZ3 LYS 43 3HZ LYS 43 5.420 11.800 20.353 392 H ALA 44 H ALA 44 10.299 13.908 20.142 393 HA ALA 44 HA ALA 44 11.404 13.642 22.848 394 HB1 ALA 44 1HB ALA 44 11.530 11.759 20.470 395 HB2 ALA 44 2HB ALA 44 10.367 11.679 21.794 396 HB3 ALA 44 3HB ALA 44 12.077 11.399 22.113 397 H LYS 45 H LYS 45 12.332 15.413 20.307 398 HA LYS 45 HA LYS 45 15.221 14.887 20.452 399 HB2 LYS 45 2HB LYS 45 14.159 15.400 18.243 400 HB3 LYS 45 3HB LYS 45 13.638 16.963 18.854 401 HG2 LYS 45 2HG LYS 45 15.584 17.303 17.482 402 HG3 LYS 45 3HG LYS 45 16.058 17.597 19.156 403 HD2 LYS 45 2HD LYS 45 17.798 16.333 18.030 404 HD3 LYS 45 3HD LYS 45 17.038 15.301 19.242 405 HE2 LYS 45 2HE LYS 45 17.460 14.095 17.123 406 HE3 LYS 45 3HE LYS 45 15.736 14.172 17.484 407 HZ1 LYS 45 1HZ LYS 45 17.195 15.919 15.579 408 HZ2 LYS 45 2HZ LYS 45 15.541 16.007 15.912 409 HZ3 LYS 45 3HZ LYS 45 16.180 14.635 15.164 410 H ASN 46 H ASN 46 12.751 17.025 21.652 411 HA ASN 46 HA ASN 46 12.613 18.779 23.032 412 HB2 ASN 46 2HB ASN 46 14.280 17.743 24.526 413 HB3 ASN 46 3HB ASN 46 15.591 18.447 23.588 414 HD21 ASN 46 1HD2 ASN 46 12.973 19.143 25.815 415 HD22 ASN 46 2HD2 ASN 46 13.541 20.700 26.293 416 H SER 47 H SER 47 15.881 19.328 21.632 417 HA SER 47 HA SER 47 15.331 22.047 20.910 418 HB2 SER 47 2HB SER 47 17.632 21.241 21.442 419 HB3 SER 47 3HB SER 47 17.610 20.229 19.995 420 HG SER 47 HG SER 47 17.171 23.024 19.895 421 H LYS 48 H LYS 48 13.665 22.278 19.519 422 HA LYS 48 HA LYS 48 13.506 20.623 17.062 423 HB2 LYS 48 2HB LYS 48 11.598 20.266 18.526 424 HB3 LYS 48 3HB LYS 48 11.354 21.993 18.748 425 HG2 LYS 48 2HG LYS 48 9.671 20.969 17.241 426 HG3 LYS 48 3HG LYS 48 10.606 22.251 16.466 427 HD2 LYS 48 2HD LYS 48 12.042 20.495 15.397 428 HD3 LYS 48 3HD LYS 48 10.994 19.251 16.088 429 HE2 LYS 48 2HE LYS 48 9.143 19.972 14.758 430 HE3 LYS 48 3HE LYS 48 9.977 21.452 14.277 431 HZ1 LYS 48 1HZ LYS 48 11.494 20.211 12.967 432 HZ2 LYS 48 2HZ LYS 48 9.938 19.682 12.567 433 HZ3 LYS 48 3HZ LYS 48 10.921 18.730 13.559 434 H LYS 49 H LYS 49 13.573 21.605 15.136 435 HA LYS 49 HA LYS 49 13.870 24.519 14.900 436 HB2 LYS 49 2HB LYS 49 15.656 23.207 13.884 437 HB3 LYS 49 3HB LYS 49 14.506 22.178 13.038 438 HG2 LYS 49 2HG LYS 49 15.555 23.737 11.480 439 HG3 LYS 49 3HG LYS 49 13.829 24.085 11.624 440 HD2 LYS 49 2HD LYS 49 14.411 25.922 13.257 441 HD3 LYS 49 3HD LYS 49 16.118 25.628 12.909 442 HE2 LYS 49 2HE LYS 49 15.725 26.201 10.539 443 HE3 LYS 49 3HE LYS 49 14.013 26.472 10.890 444 HZ1 LYS 49 1HZ LYS 49 15.070 28.561 10.894 445 HZ2 LYS 49 2HZ LYS 49 16.328 28.032 11.885 446 HZ3 LYS 49 3HZ LYS 49 14.767 28.198 12.518 447 H ALA 50 H ALA 50 12.245 25.717 14.096 448 HA ALA 50 HA ALA 50 9.759 24.692 13.156 449 HB1 ALA 50 1HB ALA 50 9.932 26.913 14.211 450 HB2 ALA 50 2HB ALA 50 9.251 27.051 12.588 451 HB3 ALA 50 3HB ALA 50 10.939 27.484 12.880 452 H ILE 51 H ILE 51 9.545 23.657 11.267 453 HA ILE 51 HA ILE 51 11.447 23.885 9.092 454 HB ILE 51 HB ILE 51 10.002 22.157 7.935 455 HG12 ILE 51 2HG1 ILE 51 8.291 20.961 9.584 456 HG13 ILE 51 3HG1 ILE 51 8.230 22.518 10.396 457 HG21 ILE 51 1HG2 ILE 51 11.887 21.508 9.343 458 HG22 ILE 51 2HG2 ILE 51 10.586 20.327 9.495 459 HG23 ILE 51 3HG2 ILE 51 10.856 21.511 10.777 460 HD11 ILE 51 1HD1 ILE 51 7.476 21.999 7.519 461 HD12 ILE 51 2HD1 ILE 51 7.357 23.547 8.358 462 HD13 ILE 51 3HD1 ILE 51 6.359 22.188 8.870 463 H GLU 52 H GLU 52 8.790 25.697 9.951 464 HA GLU 52 HA GLU 52 7.633 26.181 7.355 465 HB2 GLU 52 2HB GLU 52 7.183 27.595 10.022 466 HB3 GLU 52 3HB GLU 52 6.222 27.833 8.559 467 HG2 GLU 52 2HG GLU 52 5.582 25.412 8.635 468 HG3 GLU 52 3HG GLU 52 6.469 25.263 10.150 469 H ASP 53 H ASP 53 8.354 27.555 5.911 470 HA ASP 53 HA ASP 53 9.871 29.995 6.672 471 HB2 ASP 53 2HB ASP 53 11.303 28.541 5.338 472 HB3 ASP 53 3HB ASP 53 10.016 28.226 4.186 473 H GLY 54 H GLY 54 8.498 31.696 6.562 474 HA2 GLY 54 2HA GLY 54 5.938 31.485 5.179 475 HA3 GLY 54 3HA GLY 54 6.456 32.755 6.272 476 H VAL 55 H VAL 55 7.553 31.504 3.071 477 HA VAL 55 HA VAL 55 8.214 34.180 2.177 478 HB VAL 55 HB VAL 55 9.618 32.257 1.480 479 HG11 VAL 55 1HG1 VAL 55 7.264 31.345 -0.202 480 HG12 VAL 55 2HG1 VAL 55 7.912 30.520 1.216 481 HG13 VAL 55 3HG1 VAL 55 8.894 30.658 -0.244 482 HG21 VAL 55 1HG2 VAL 55 9.659 34.304 0.124 483 HG22 VAL 55 2HG2 VAL 55 8.326 33.705 -0.864 484 HG23 VAL 55 3HG2 VAL 55 9.891 32.888 -0.907 485 HA PRO 56 HA PRO 56 4.046 34.821 0.393 486 HB2 PRO 56 2HB PRO 56 4.395 37.389 -0.464 487 HB3 PRO 56 3HB PRO 56 4.236 37.007 1.265 488 HG2 PRO 56 2HG PRO 56 6.738 37.505 -0.322 489 HG3 PRO 56 3HG PRO 56 6.274 38.152 1.268 490 HD2 PRO 56 2HD PRO 56 7.954 36.013 0.999 491 HD3 PRO 56 3HD PRO 56 6.865 36.202 2.391 492 H GLN 57 H GLN 57 3.423 35.990 -1.839 493 HA GLN 57 HA GLN 57 4.443 34.319 -3.924 494 HB2 GLN 57 2HB GLN 57 2.539 36.703 -4.086 495 HB3 GLN 57 3HB GLN 57 2.910 35.640 -5.435 496 HG2 GLN 57 2HG GLN 57 0.780 34.971 -4.574 497 HG3 GLN 57 3HG GLN 57 1.938 33.727 -4.116 498 HE21 GLN 57 1HE2 GLN 57 0.024 36.419 -2.943 499 HE22 GLN 57 2HE2 GLN 57 0.059 35.974 -1.274 500 HA PRO 58 HA PRO 58 7.923 36.720 -5.420 501 HB2 PRO 58 2HB PRO 58 7.646 36.334 -8.201 502 HB3 PRO 58 3HB PRO 58 8.410 35.192 -7.081 503 HG2 PRO 58 2HG PRO 58 5.607 35.174 -8.150 504 HG3 PRO 58 3HG PRO 58 6.725 33.812 -7.913 505 HD2 PRO 58 2HD PRO 58 4.740 34.252 -6.176 506 HD3 PRO 58 3HD PRO 58 6.338 33.727 -5.594 507 H GLU 59 H GLU 59 5.129 37.229 -7.619 508 HA GLU 59 HA GLU 59 4.899 40.027 -6.849 509 HB2 GLU 59 2HB GLU 59 6.574 40.177 -8.650 510 HB3 GLU 59 3HB GLU 59 5.556 39.227 -9.721 511 HG2 GLU 59 2HG GLU 59 5.430 41.553 -10.365 512 HG3 GLU 59 3HG GLU 59 3.870 41.061 -9.712 513 H ALA 60 H ALA 60 3.910 37.744 -9.392 514 HA ALA 60 HA ALA 60 1.149 37.671 -8.552 515 HB1 ALA 60 1HB ALA 60 0.237 38.556 -10.691 516 HB2 ALA 60 2HB ALA 60 1.872 38.961 -11.226 517 HB3 ALA 60 3HB ALA 60 1.168 39.783 -9.833 518 H LEU 61 H LEU 61 -0.125 36.223 -10.093 519 HA LEU 61 HA LEU 61 1.435 34.431 -11.764 520 HB2 LEU 61 2HB LEU 61 0.602 32.363 -10.596 521 HB3 LEU 61 3HB LEU 61 1.787 33.287 -9.708 522 HG LEU 61 HG LEU 61 0.076 32.288 -8.218 523 HD11 LEU 61 1HD1 LEU 61 1.183 34.309 -7.433 524 HD12 LEU 61 2HD1 LEU 61 -0.473 34.233 -6.833 525 HD13 LEU 61 3HD1 LEU 61 -0.066 35.313 -8.170 526 HD21 LEU 61 1HD2 LEU 61 -1.984 34.062 -9.558 527 HD22 LEU 61 2HD2 LEU 61 -2.242 33.039 -8.141 528 HD23 LEU 61 3HD2 LEU 61 -1.876 32.308 -9.701 529 H GLU 62 H GLU 62 -0.999 36.364 -11.797 530 HA GLU 62 HA GLU 62 -3.086 34.614 -12.875 531 HB2 GLU 62 2HB GLU 62 -3.162 37.663 -12.742 532 HB3 GLU 62 3HB GLU 62 -4.507 36.567 -13.007 533 HG2 GLU 62 2HG GLU 62 -4.778 37.295 -10.781 534 HG3 GLU 62 3HG GLU 62 -4.076 35.684 -10.636 535 H1 MET 1 1H MET 1 0.538 -4.760 14.166 536 H2 MET 1 2H MET 1 0.063 -4.147 15.667 537 H3 MET 1 3H MET 1 0.951 -5.576 15.579 538 HA MET 1 HA MET 1 2.855 -4.418 14.722 539 HB2 MET 1 2HB MET 1 1.141 -1.929 15.146 540 HB3 MET 1 3HB MET 1 2.848 -1.909 14.718 541 HG2 MET 1 2HG MET 1 2.415 -2.741 12.541 542 HG3 MET 1 3HG MET 1 0.773 -3.225 12.961 543 HE1 MET 1 1HE MET 1 -0.403 -0.746 14.530 544 HE2 MET 1 2HE MET 1 -1.264 -1.587 13.237 545 HE3 MET 1 3HE MET 1 -1.112 0.170 13.201 546 H GLU 2 H GLU 2 4.327 -3.127 16.190 547 HA GLU 2 HA GLU 2 3.538 -3.367 19.031 548 HB2 GLU 2 2HB GLU 2 5.414 -4.836 18.489 549 HB3 GLU 2 3HB GLU 2 6.307 -3.497 17.767 550 HG2 GLU 2 2HG GLU 2 6.461 -2.386 19.973 551 HG3 GLU 2 3HG GLU 2 5.528 -3.688 20.708 552 H GLU 3 H GLU 3 2.946 -1.470 19.749 553 HA GLU 3 HA GLU 3 4.171 1.066 18.955 554 HB2 GLU 3 2HB GLU 3 1.993 0.375 20.995 555 HB3 GLU 3 3HB GLU 3 2.547 2.013 20.675 556 HG2 GLU 3 2HG GLU 3 0.416 1.569 19.548 557 HG3 GLU 3 3HG GLU 3 1.701 1.890 18.389 558 H LEU 4 H LEU 4 5.817 2.022 20.134 559 HA LEU 4 HA LEU 4 7.125 0.549 22.237 560 HB2 LEU 4 2HB LEU 4 7.713 3.351 21.183 561 HB3 LEU 4 3HB LEU 4 8.775 2.409 22.220 562 HG LEU 4 HG LEU 4 8.054 1.817 19.322 563 HD11 LEU 4 1HD1 LEU 4 10.438 2.149 18.879 564 HD12 LEU 4 2HD1 LEU 4 10.726 2.507 20.583 565 HD13 LEU 4 3HD1 LEU 4 9.724 3.588 19.610 566 HD21 LEU 4 1HD2 LEU 4 9.542 -0.145 19.450 567 HD22 LEU 4 2HD2 LEU 4 8.154 -0.314 20.519 568 HD23 LEU 4 3HD2 LEU 4 9.733 0.103 21.189 569 H SER 5 H SER 5 7.970 2.075 24.193 570 HA SER 5 HA SER 5 5.635 2.447 25.847 571 HB2 SER 5 2HB SER 5 8.584 2.884 26.477 572 HB3 SER 5 3HB SER 5 7.279 2.747 27.663 573 HG SER 5 HG SER 5 6.886 0.625 26.720 574 H GLY 6 H GLY 6 6.511 4.542 23.633 575 HA2 GLY 6 2HA GLY 6 5.430 6.773 23.810 576 HA3 GLY 6 3HA GLY 6 6.346 6.997 25.295 577 H LYS 7 H LYS 7 8.579 5.432 23.845 578 HA LYS 7 HA LYS 7 10.067 7.656 22.869 579 HB2 LYS 7 2HB LYS 7 10.581 4.650 22.901 580 HB3 LYS 7 3HB LYS 7 11.684 5.745 22.075 581 HG2 LYS 7 2HG LYS 7 12.588 5.307 24.235 582 HG3 LYS 7 3HG LYS 7 12.015 6.975 24.222 583 HD2 LYS 7 2HD LYS 7 9.984 6.272 25.466 584 HD3 LYS 7 3HD LYS 7 10.570 4.604 25.473 585 HE2 LYS 7 2HE LYS 7 11.939 6.978 26.794 586 HE3 LYS 7 3HE LYS 7 11.041 5.703 27.619 587 HZ1 LYS 7 1HZ LYS 7 13.411 5.324 27.730 588 HZ2 LYS 7 2HZ LYS 7 13.534 5.318 26.049 589 HZ3 LYS 7 3HZ LYS 7 12.674 4.097 26.839 590 HA PRO 8 HA PRO 8 8.920 7.470 18.496 591 HB2 PRO 8 2HB PRO 8 11.145 8.544 17.306 592 HB3 PRO 8 3HB PRO 8 10.032 9.538 18.272 593 HG2 PRO 8 2HG PRO 8 12.653 8.319 19.108 594 HG3 PRO 8 3HG PRO 8 12.045 9.970 19.382 595 HD2 PRO 8 2HD PRO 8 11.887 8.060 21.310 596 HD3 PRO 8 3HD PRO 8 10.650 9.324 21.131 597 H LEU 9 H LEU 9 9.578 6.384 16.504 598 HA LEU 9 HA LEU 9 10.512 3.764 16.931 599 HB2 LEU 9 2HB LEU 9 10.479 3.697 14.327 600 HB3 LEU 9 3HB LEU 9 8.982 3.901 15.203 601 HG LEU 9 HG LEU 9 9.059 6.377 14.679 602 HD11 LEU 9 1HD1 LEU 9 10.497 7.195 12.854 603 HD12 LEU 9 2HD1 LEU 9 11.376 5.664 12.866 604 HD13 LEU 9 3HD1 LEU 9 11.426 6.719 14.277 605 HD21 LEU 9 1HD2 LEU 9 9.018 4.514 12.286 606 HD22 LEU 9 2HD2 LEU 9 8.329 6.141 12.343 607 HD23 LEU 9 3HD2 LEU 9 7.667 4.869 13.367 608 H SER 10 H SER 10 12.401 2.695 16.228 609 HA SER 10 HA SER 10 14.851 4.196 16.399 610 HB2 SER 10 2HB SER 10 14.456 1.254 15.698 611 HB3 SER 10 3HB SER 10 15.938 2.008 16.291 612 HG SER 10 HG SER 10 14.084 0.893 17.726 613 H TYR 11 H TYR 11 16.628 3.644 14.733 614 HA TYR 11 HA TYR 11 16.044 4.709 12.215 615 HB2 TYR 11 2HB TYR 11 18.316 4.747 13.129 616 HB3 TYR 11 3HB TYR 11 18.396 2.991 13.133 617 HD1 TYR 11 HD1 TYR 11 18.152 5.950 10.828 618 HD2 TYR 11 HD2 TYR 11 19.262 1.837 11.219 619 HE1 TYR 11 HE1 TYR 11 19.173 6.002 8.593 620 HE2 TYR 11 HE2 TYR 11 20.267 1.900 8.981 621 HH TYR 11 HH TYR 11 20.976 4.703 7.370 622 H ALA 12 H ALA 12 16.226 1.383 13.343 623 HA ALA 12 HA ALA 12 15.997 -0.031 10.934 624 HB1 ALA 12 1HB ALA 12 15.338 -1.931 12.348 625 HB2 ALA 12 2HB ALA 12 15.081 -0.841 13.717 626 HB3 ALA 12 3HB ALA 12 16.700 -1.062 13.049 627 H GLU 13 H GLU 13 13.510 0.901 13.320 628 HA GLU 13 HA GLU 13 11.268 -0.058 11.928 629 HB2 GLU 13 2HB GLU 13 11.679 1.967 14.128 630 HB3 GLU 13 3HB GLU 13 10.082 1.819 13.415 631 HG2 GLU 13 2HG GLU 13 10.439 0.536 15.546 632 HG3 GLU 13 3HG GLU 13 9.837 -0.426 14.194 633 H LYS 14 H LYS 14 12.936 3.057 11.775 634 HA LYS 14 HA LYS 14 10.994 4.514 10.333 635 HB2 LYS 14 2HB LYS 14 12.926 5.437 11.705 636 HB3 LYS 14 3HB LYS 14 14.016 4.986 10.404 637 HG2 LYS 14 2HG LYS 14 11.678 6.848 9.900 638 HG3 LYS 14 3HG LYS 14 13.177 7.457 10.591 639 HD2 LYS 14 2HD LYS 14 12.910 6.068 7.893 640 HD3 LYS 14 3HD LYS 14 13.088 7.806 8.143 641 HE2 LYS 14 2HE LYS 14 15.318 7.402 9.190 642 HE3 LYS 14 3HE LYS 14 15.139 5.675 8.864 643 HZ1 LYS 14 1HZ LYS 14 15.124 6.123 6.519 644 HZ2 LYS 14 2HZ LYS 14 16.486 6.855 7.195 645 HZ3 LYS 14 3HZ LYS 14 15.144 7.792 6.778 646 H GLU 15 H GLU 15 13.878 2.657 9.307 647 HA GLU 15 HA GLU 15 13.628 3.380 6.543 648 HB2 GLU 15 2HB GLU 15 15.431 1.794 6.079 649 HB3 GLU 15 3HB GLU 15 15.850 2.824 7.442 650 HG2 GLU 15 2HG GLU 15 15.484 1.039 9.009 651 HG3 GLU 15 3HG GLU 15 14.749 0.024 7.768 652 H LYS 16 H LYS 16 12.678 0.495 8.461 653 HA LYS 16 HA LYS 16 11.844 -1.055 6.214 654 HB2 LYS 16 2HB LYS 16 10.879 -2.628 7.751 655 HB3 LYS 16 3HB LYS 16 12.388 -2.058 8.449 656 HG2 LYS 16 2HG LYS 16 11.094 -0.525 9.934 657 HG3 LYS 16 3HG LYS 16 9.597 -1.163 9.257 658 HD2 LYS 16 2HD LYS 16 10.075 -2.196 11.429 659 HD3 LYS 16 3HD LYS 16 10.142 -3.408 10.149 660 HE2 LYS 16 2HE LYS 16 12.576 -3.378 10.193 661 HE3 LYS 16 3HE LYS 16 12.573 -2.026 11.329 662 HZ1 LYS 16 1HZ LYS 16 12.976 -4.181 12.397 663 HZ2 LYS 16 2HZ LYS 16 11.444 -4.707 11.915 664 HZ3 LYS 16 3HZ LYS 16 11.592 -3.416 12.990 665 H LEU 17 H LEU 17 10.322 1.392 8.179 666 HA LEU 17 HA LEU 17 7.641 0.869 7.340 667 HB2 LEU 17 2HB LEU 17 8.514 2.078 9.499 668 HB3 LEU 17 3HB LEU 17 8.567 3.518 8.502 669 HG LEU 17 HG LEU 17 6.471 3.193 9.951 670 HD11 LEU 17 1HD1 LEU 17 5.933 3.514 6.982 671 HD12 LEU 17 2HD1 LEU 17 6.485 4.790 8.069 672 HD13 LEU 17 3HD1 LEU 17 4.902 4.058 8.311 673 HD21 LEU 17 1HD2 LEU 17 4.747 1.631 9.160 674 HD22 LEU 17 2HD2 LEU 17 6.212 0.759 9.587 675 HD23 LEU 17 3HD2 LEU 17 5.819 1.042 7.887 676 H LYS 18 H LYS 18 10.097 3.334 6.399 677 HA LYS 18 HA LYS 18 8.371 4.646 4.548 678 HB2 LYS 18 2HB LYS 18 10.379 5.882 3.778 679 HB3 LYS 18 3HB LYS 18 10.241 5.874 5.526 680 HG2 LYS 18 2HG LYS 18 12.517 5.548 5.227 681 HG3 LYS 18 3HG LYS 18 11.938 3.896 5.433 682 HD2 LYS 18 2HD LYS 18 11.940 3.667 2.906 683 HD3 LYS 18 3HD LYS 18 12.683 5.263 2.809 684 HE2 LYS 18 2HE LYS 18 14.647 4.465 3.989 685 HE3 LYS 18 3HE LYS 18 13.886 2.901 4.283 686 HZ1 LYS 18 1HZ LYS 18 13.820 2.577 1.851 687 HZ2 LYS 18 2HZ LYS 18 15.388 2.709 2.464 688 HZ3 LYS 18 3HZ LYS 18 14.690 4.015 1.652 689 H GLU 19 H GLU 19 10.652 1.931 4.239 690 HA GLU 19 HA GLU 19 10.505 1.810 1.357 691 HB2 GLU 19 2HB GLU 19 11.743 -0.246 1.463 692 HB3 GLU 19 3HB GLU 19 12.432 0.830 2.674 693 HG2 GLU 19 2HG GLU 19 11.176 -0.368 4.436 694 HG3 GLU 19 3HG GLU 19 10.510 -1.449 3.223 695 H LYS 20 H LYS 20 8.745 0.363 4.090 696 HA LYS 20 HA LYS 20 7.048 -1.350 2.692 697 HB2 LYS 20 2HB LYS 20 6.654 -1.662 4.925 698 HB3 LYS 20 3HB LYS 20 6.931 0.021 5.336 699 HG2 LYS 20 2HG LYS 20 4.679 0.639 4.921 700 HG3 LYS 20 3HG LYS 20 4.371 -0.789 3.929 701 HD2 LYS 20 2HD LYS 20 4.844 -0.857 6.929 702 HD3 LYS 20 3HD LYS 20 3.254 -0.852 6.160 703 HE2 LYS 20 2HE LYS 20 4.044 -2.976 4.899 704 HE3 LYS 20 3HE LYS 20 5.374 -3.018 6.060 705 HZ1 LYS 20 1HZ LYS 20 3.732 -3.099 7.849 706 HZ2 LYS 20 2HZ LYS 20 3.565 -4.406 6.791 707 HZ3 LYS 20 3HZ LYS 20 2.477 -3.113 6.714 708 H LEU 21 H LEU 21 6.676 2.133 3.391 709 HA LEU 21 HA LEU 21 4.163 2.543 2.225 710 HB2 LEU 21 2HB LEU 21 6.458 4.535 2.461 711 HB3 LEU 21 3HB LEU 21 4.778 4.952 2.139 712 HG LEU 21 HG LEU 21 5.857 3.731 4.707 713 HD11 LEU 21 1HD1 LEU 21 6.440 6.081 4.466 714 HD12 LEU 21 2HD1 LEU 21 5.253 5.854 5.747 715 HD13 LEU 21 3HD1 LEU 21 4.746 6.497 4.181 716 HD21 LEU 21 1HD2 LEU 21 3.622 2.856 4.269 717 HD22 LEU 21 2HD2 LEU 21 2.999 4.493 4.042 718 HD23 LEU 21 3HD2 LEU 21 3.600 3.986 5.620 719 H ALA 22 H ALA 22 7.427 2.829 0.859 720 HA ALA 22 HA ALA 22 6.653 3.673 -1.759 721 HB1 ALA 22 1HB ALA 22 9.256 2.393 -0.823 722 HB2 ALA 22 2HB ALA 22 8.895 4.119 -0.824 723 HB3 ALA 22 3HB ALA 22 9.005 3.251 -2.353 724 H PHE 23 H PHE 23 7.078 0.523 -0.242 725 HA PHE 23 HA PHE 23 7.247 -1.009 -2.663 726 HB2 PHE 23 2HB PHE 23 8.227 -1.879 -0.589 727 HB3 PHE 23 3HB PHE 23 6.658 -1.865 0.207 728 HD1 PHE 23 HD1 PHE 23 8.545 -3.439 -2.626 729 HD2 PHE 23 HD2 PHE 23 5.261 -3.790 0.103 730 HE1 PHE 23 HE1 PHE 23 8.159 -5.755 -3.371 731 HE2 PHE 23 HE2 PHE 23 4.884 -6.091 -0.649 732 HZ PHE 23 HZ PHE 23 6.331 -7.081 -2.385 733 H LEU 24 H LEU 24 4.680 -0.621 -0.208 734 HA LEU 24 HA LEU 24 2.732 -2.028 -1.664 735 HB2 LEU 24 2HB LEU 24 1.102 -1.191 -0.051 736 HB3 LEU 24 3HB LEU 24 2.537 -1.809 0.729 737 HG LEU 24 HG LEU 24 3.252 0.697 0.975 738 HD11 LEU 24 1HD1 LEU 24 0.291 1.146 0.503 739 HD12 LEU 24 2HD1 LEU 24 1.617 1.729 -0.504 740 HD13 LEU 24 3HD1 LEU 24 1.434 2.336 1.136 741 HD21 LEU 24 1HD2 LEU 24 2.629 -0.700 2.882 742 HD22 LEU 24 2HD2 LEU 24 0.919 -0.345 2.616 743 HD23 LEU 24 3HD2 LEU 24 2.031 0.946 3.084 744 H LYS 25 H LYS 25 3.725 1.348 -1.667 745 HA LYS 25 HA LYS 25 1.591 2.413 -3.215 746 HB2 LYS 25 2HB LYS 25 3.021 3.856 -1.893 747 HB3 LYS 25 3HB LYS 25 4.452 3.373 -2.795 748 HG2 LYS 25 2HG LYS 25 3.603 4.531 -4.798 749 HG3 LYS 25 3HG LYS 25 2.117 4.958 -3.944 750 HD2 LYS 25 2HD LYS 25 4.924 5.880 -3.202 751 HD3 LYS 25 3HD LYS 25 3.699 6.866 -4.006 752 HE2 LYS 25 2HE LYS 25 2.236 6.630 -2.005 753 HE3 LYS 25 3HE LYS 25 3.503 5.694 -1.209 754 HZ1 LYS 25 1HZ LYS 25 3.752 8.510 -2.104 755 HZ2 LYS 25 2HZ LYS 25 4.939 7.614 -1.304 756 HZ3 LYS 25 3HZ LYS 25 3.501 8.000 -0.512 757 H LYS 26 H LYS 26 4.783 1.030 -4.143 758 HA LYS 26 HA LYS 26 4.597 1.882 -6.861 759 HB2 LYS 26 2HB LYS 26 6.546 0.557 -7.353 760 HB3 LYS 26 3HB LYS 26 6.788 1.302 -5.781 761 HG2 LYS 26 2HG LYS 26 6.299 -0.833 -4.667 762 HG3 LYS 26 3HG LYS 26 5.957 -1.589 -6.218 763 HD2 LYS 26 2HD LYS 26 8.130 -2.325 -5.774 764 HD3 LYS 26 3HD LYS 26 8.428 -0.936 -6.815 765 HE2 LYS 26 2HE LYS 26 8.631 -0.983 -3.786 766 HE3 LYS 26 3HE LYS 26 9.981 -0.975 -4.913 767 HZ1 LYS 26 1HZ LYS 26 9.223 1.204 -5.690 768 HZ2 LYS 26 2HZ LYS 26 9.627 1.211 -4.050 769 HZ3 LYS 26 3HZ LYS 26 8.005 1.198 -4.520 770 H GLU 27 H GLU 27 3.859 -1.205 -5.203 771 HA GLU 27 HA GLU 27 2.902 -2.507 -7.567 772 HB2 GLU 27 2HB GLU 27 2.088 -4.287 -6.112 773 HB3 GLU 27 3HB GLU 27 3.734 -3.842 -5.685 774 HG2 GLU 27 2HG GLU 27 2.985 -2.690 -3.700 775 HG3 GLU 27 3HG GLU 27 1.296 -2.860 -4.171 776 H TYR 28 H TYR 28 1.367 -0.559 -5.007 777 HA TYR 28 HA TYR 28 -1.343 -0.986 -5.543 778 HB2 TYR 28 2HB TYR 28 -0.741 0.346 -3.625 779 HB3 TYR 28 3HB TYR 28 0.114 1.523 -4.606 780 HD1 TYR 28 HD1 TYR 28 -3.268 0.288 -3.644 781 HD2 TYR 28 HD2 TYR 28 -1.078 3.409 -5.577 782 HE1 TYR 28 HE1 TYR 28 -5.291 1.673 -3.692 783 HE2 TYR 28 HE2 TYR 28 -3.103 4.796 -5.630 784 HH TYR 28 HH TYR 28 -5.595 4.421 -5.588 785 H SER 29 H SER 29 0.840 1.449 -6.948 786 HA SER 29 HA SER 29 -1.052 2.712 -8.605 787 HB2 SER 29 2HB SER 29 1.091 3.745 -7.852 788 HB3 SER 29 3HB SER 29 1.985 2.651 -8.909 789 HG SER 29 HG SER 29 -0.002 4.493 -9.778 790 H ARG 30 H ARG 30 1.382 0.174 -9.275 791 HA ARG 30 HA ARG 30 0.843 -0.028 -12.081 792 HB2 ARG 30 2HB ARG 30 2.220 -1.952 -10.169 793 HB3 ARG 30 3HB ARG 30 2.182 -2.159 -11.920 794 HG2 ARG 30 2HG ARG 30 3.421 -0.054 -12.220 795 HG3 ARG 30 3HG ARG 30 3.429 0.201 -10.471 796 HD2 ARG 30 2HD ARG 30 5.571 -0.712 -11.239 797 HD3 ARG 30 3HD ARG 30 4.748 -1.849 -10.164 798 HE ARG 30 HE ARG 30 4.110 -2.393 -12.883 799 HH11 ARG 30 1HH1 ARG 30 6.734 -2.797 -10.559 800 HH12 ARG 30 2HH1 ARG 30 7.389 -4.183 -11.373 801 HH21 ARG 30 1HH2 ARG 30 4.957 -4.193 -13.908 802 HH22 ARG 30 2HH2 ARG 30 6.374 -4.975 -13.283 803 H THR 31 H THR 31 -0.274 -1.929 -9.276 804 HA THR 31 HA THR 31 -1.593 -3.865 -10.935 805 HB THR 31 HB THR 31 -0.513 -4.411 -8.661 806 HG1 THR 31 HG1 THR 31 -3.157 -5.351 -9.195 807 HG21 THR 31 1HG2 THR 31 -1.699 -2.738 -7.254 808 HG22 THR 31 2HG2 THR 31 -1.998 -4.386 -6.701 809 HG23 THR 31 3HG2 THR 31 -3.234 -3.525 -7.620 810 H LEU 32 H LEU 32 -2.576 -1.007 -9.157 811 HA LEU 32 HA LEU 32 -5.381 -1.300 -9.578 812 HB2 LEU 32 2HB LEU 32 -4.465 0.267 -7.930 813 HB3 LEU 32 3HB LEU 32 -3.721 1.227 -9.189 814 HG LEU 32 HG LEU 32 -6.737 0.913 -9.308 815 HD11 LEU 32 1HD1 LEU 32 -7.131 2.723 -7.705 816 HD12 LEU 32 2HD1 LEU 32 -5.413 2.767 -7.303 817 HD13 LEU 32 3HD1 LEU 32 -6.372 1.338 -6.918 818 HD21 LEU 32 1HD2 LEU 32 -6.665 3.245 -10.116 819 HD22 LEU 32 2HD2 LEU 32 -5.582 2.222 -11.056 820 HD23 LEU 32 3HD2 LEU 32 -4.921 3.303 -9.828 821 H ALA 33 H ALA 33 -2.699 0.110 -11.454 822 HA ALA 33 HA ALA 33 -4.131 1.290 -13.544 823 HB1 ALA 33 1HB ALA 33 -1.721 1.638 -13.181 824 HB2 ALA 33 2HB ALA 33 -2.054 1.144 -14.841 825 HB3 ALA 33 3HB ALA 33 -1.393 -0.022 -13.687 826 H ARG 34 H ARG 34 -2.774 -2.034 -13.355 827 HA ARG 34 HA ARG 34 -3.776 -2.924 -15.868 828 HB2 ARG 34 2HB ARG 34 -2.968 -5.111 -15.276 829 HB3 ARG 34 3HB ARG 34 -1.818 -3.944 -14.639 830 HG2 ARG 34 2HG ARG 34 -3.136 -4.217 -12.400 831 HG3 ARG 34 3HG ARG 34 -3.779 -5.683 -13.136 832 HD2 ARG 34 2HD ARG 34 -0.853 -5.049 -12.655 833 HD3 ARG 34 3HD ARG 34 -1.850 -6.152 -11.703 834 HE ARG 34 HE ARG 34 -1.849 -6.968 -14.411 835 HH11 ARG 34 1HH1 ARG 34 0.224 -6.919 -11.557 836 HH12 ARG 34 2HH1 ARG 34 1.153 -8.286 -12.076 837 HH21 ARG 34 1HH2 ARG 34 -0.556 -8.714 -15.069 838 HH22 ARG 34 2HH2 ARG 34 0.715 -9.301 -14.059 839 H LEU 35 H LEU 35 -5.039 -3.015 -12.568 840 HA LEU 35 HA LEU 35 -7.307 -4.637 -12.885 841 HB2 LEU 35 2HB LEU 35 -6.484 -3.861 -10.684 842 HB3 LEU 35 3HB LEU 35 -6.887 -2.207 -11.100 843 HG LEU 35 HG LEU 35 -9.326 -2.872 -11.163 844 HD11 LEU 35 1HD1 LEU 35 -9.119 -5.252 -11.575 845 HD12 LEU 35 2HD1 LEU 35 -10.048 -4.953 -10.111 846 HD13 LEU 35 3HD1 LEU 35 -8.371 -5.496 -9.993 847 HD21 LEU 35 1HD2 LEU 35 -7.942 -3.316 -8.502 848 HD22 LEU 35 2HD2 LEU 35 -9.642 -2.901 -8.739 849 HD23 LEU 35 3HD2 LEU 35 -8.385 -1.756 -9.198 850 H GLN 36 H GLN 36 -6.816 -1.142 -13.423 851 HA GLN 36 HA GLN 36 -9.511 -0.536 -14.156 852 HB2 GLN 36 2HB GLN 36 -6.962 1.054 -14.727 853 HB3 GLN 36 3HB GLN 36 -8.605 1.653 -14.934 854 HG2 GLN 36 2HG GLN 36 -7.324 0.860 -12.307 855 HG3 GLN 36 3HG GLN 36 -7.602 2.503 -12.864 856 HE21 GLN 36 1HE2 GLN 36 -8.563 1.069 -10.443 857 HE22 GLN 36 2HE2 GLN 36 -10.285 1.222 -10.481 858 H ARG 37 H ARG 37 -6.583 -1.407 -15.979 859 HA ARG 37 HA ARG 37 -7.647 -0.894 -18.578 860 HB2 ARG 37 2HB ARG 37 -5.369 -2.730 -17.707 861 HB3 ARG 37 3HB ARG 37 -5.735 -2.343 -19.387 862 HG2 ARG 37 2HG ARG 37 -4.901 -0.351 -17.255 863 HG3 ARG 37 3HG ARG 37 -3.858 -0.995 -18.522 864 HD2 ARG 37 2HD ARG 37 -5.296 0.075 -20.236 865 HD3 ARG 37 3HD ARG 37 -6.337 0.720 -18.964 866 HE ARG 37 HE ARG 37 -4.021 1.750 -18.225 867 HH11 ARG 37 1HH1 ARG 37 -5.408 1.624 -21.454 868 HH12 ARG 37 2HH1 ARG 37 -4.616 3.077 -21.984 869 HH21 ARG 37 1HH2 ARG 37 -3.002 3.646 -18.919 870 HH22 ARG 37 2HH2 ARG 37 -3.255 4.217 -20.539 871 H ALA 38 H ALA 38 -7.899 -3.617 -16.394 872 HA ALA 38 HA ALA 38 -9.141 -5.413 -18.282 873 HB1 ALA 38 1HB ALA 38 -9.134 -5.478 -15.238 874 HB2 ALA 38 2HB ALA 38 -7.952 -6.257 -16.289 875 HB3 ALA 38 3HB ALA 38 -9.630 -6.800 -16.303 876 H LYS 39 H LYS 39 -10.406 -3.521 -15.509 877 HA LYS 39 HA LYS 39 -13.102 -4.413 -15.973 878 HB2 LYS 39 2HB LYS 39 -13.645 -3.355 -13.874 879 HB3 LYS 39 3HB LYS 39 -12.105 -4.185 -13.706 880 HG2 LYS 39 2HG LYS 39 -10.983 -1.898 -14.065 881 HG3 LYS 39 3HG LYS 39 -12.585 -1.185 -13.877 882 HD2 LYS 39 2HD LYS 39 -11.090 -2.848 -11.804 883 HD3 LYS 39 3HD LYS 39 -11.346 -1.105 -11.756 884 HE2 LYS 39 2HE LYS 39 -13.584 -3.161 -11.653 885 HE3 LYS 39 3HE LYS 39 -12.872 -2.381 -10.243 886 HZ1 LYS 39 1HZ LYS 39 -13.596 -0.258 -11.069 887 HZ2 LYS 39 2HZ LYS 39 -14.912 -1.303 -10.939 888 HZ3 LYS 39 3HZ LYS 39 -14.248 -0.964 -12.455 889 H ARG 40 H ARG 40 -11.400 -1.358 -16.503 890 HA ARG 40 HA ARG 40 -13.802 0.127 -17.156 891 HB2 ARG 40 2HB ARG 40 -10.861 0.881 -17.436 892 HB3 ARG 40 3HB ARG 40 -12.185 1.951 -17.898 893 HG2 ARG 40 2HG ARG 40 -11.864 0.850 -15.093 894 HG3 ARG 40 3HG ARG 40 -11.153 2.373 -15.623 895 HD2 ARG 40 2HD ARG 40 -13.206 2.855 -14.469 896 HD3 ARG 40 3HD ARG 40 -13.453 3.198 -16.182 897 HE ARG 40 HE ARG 40 -14.304 0.550 -15.407 898 HH11 ARG 40 1HH1 ARG 40 -15.349 3.914 -15.504 899 HH12 ARG 40 2HH1 ARG 40 -17.034 3.502 -15.540 900 HH21 ARG 40 1HH2 ARG 40 -16.534 0.047 -15.561 901 HH22 ARG 40 2HH2 ARG 40 -17.693 1.335 -15.571 902 H ALA 41 H ALA 41 -11.030 -1.170 -19.011 903 HA ALA 41 HA ALA 41 -11.848 -0.136 -21.522 904 HB1 ALA 41 1HB ALA 41 -9.506 -0.734 -21.041 905 HB2 ALA 41 2HB ALA 41 -10.098 -1.564 -22.479 906 HB3 ALA 41 3HB ALA 41 -9.951 -2.442 -20.954 907 H GLU 42 H GLU 42 -12.103 -3.374 -20.037 908 HA GLU 42 HA GLU 42 -13.321 -5.242 -20.450 909 HB2 GLU 42 2HB GLU 42 -15.345 -3.141 -21.326 910 HB3 GLU 42 3HB GLU 42 -15.742 -4.844 -21.067 911 HG2 GLU 42 2HG GLU 42 -15.080 -4.683 -18.722 912 HG3 GLU 42 3HG GLU 42 -14.577 -3.008 -18.960 913 H LYS 43 H LYS 43 -11.558 -4.464 -22.509 914 HA LYS 43 HA LYS 43 -12.297 -5.004 -25.109 915 HB2 LYS 43 2HB LYS 43 -10.001 -5.784 -25.473 916 HB3 LYS 43 3HB LYS 43 -9.977 -4.408 -24.385 917 HG2 LYS 43 2HG LYS 43 -9.770 -7.295 -23.464 918 HG3 LYS 43 3HG LYS 43 -8.378 -6.267 -23.790 919 HD2 LYS 43 2HD LYS 43 -9.019 -4.760 -21.952 920 HD3 LYS 43 3HD LYS 43 -10.502 -5.679 -21.680 921 HE2 LYS 43 2HE LYS 43 -8.801 -6.253 -20.009 922 HE3 LYS 43 3HE LYS 43 -9.166 -7.650 -21.023 923 HZ1 LYS 43 1HZ LYS 43 -7.168 -7.189 -22.296 924 HZ2 LYS 43 2HZ LYS 43 -6.796 -7.412 -20.666 925 HZ3 LYS 43 3HZ LYS 43 -6.821 -5.856 -21.325 926 H ALA 44 H ALA 44 -12.037 -7.247 -22.399 927 HA ALA 44 HA ALA 44 -12.158 -9.690 -23.871 928 HB1 ALA 44 1HB ALA 44 -12.752 -9.156 -20.943 929 HB2 ALA 44 2HB ALA 44 -11.177 -9.565 -21.624 930 HB3 ALA 44 3HB ALA 44 -12.488 -10.745 -21.675 931 H LYS 45 H LYS 45 -14.578 -7.638 -22.242 932 HA LYS 45 HA LYS 45 -16.803 -9.391 -22.761 933 HB2 LYS 45 2HB LYS 45 -16.854 -7.865 -20.841 934 HB3 LYS 45 3HB LYS 45 -16.699 -6.461 -21.894 935 HG2 LYS 45 2HG LYS 45 -18.936 -6.943 -22.876 936 HG3 LYS 45 3HG LYS 45 -19.080 -8.373 -21.850 937 HD2 LYS 45 2HD LYS 45 -18.852 -5.513 -20.849 938 HD3 LYS 45 3HD LYS 45 -20.359 -6.418 -20.978 939 HE2 LYS 45 2HE LYS 45 -18.006 -7.157 -19.198 940 HE3 LYS 45 3HE LYS 45 -19.497 -6.382 -18.661 941 HZ1 LYS 45 1HZ LYS 45 -19.267 -9.091 -19.858 942 HZ2 LYS 45 2HZ LYS 45 -20.717 -8.355 -19.401 943 HZ3 LYS 45 3HZ LYS 45 -19.559 -8.740 -18.233 944 H ASN 46 H ASN 46 -16.119 -6.075 -23.873 945 HA ASN 46 HA ASN 46 -16.043 -5.028 -25.822 946 HB2 ASN 46 2HB ASN 46 -15.001 -7.055 -26.798 947 HB3 ASN 46 3HB ASN 46 -16.591 -7.706 -27.166 948 HD21 ASN 46 1HD2 ASN 46 -14.281 -5.187 -27.936 949 HD22 ASN 46 2HD2 ASN 46 -14.929 -4.797 -29.489 950 H SER 47 H SER 47 -18.825 -6.790 -24.856 951 HA SER 47 HA SER 47 -20.674 -5.413 -26.655 952 HB2 SER 47 2HB SER 47 -21.262 -7.367 -24.380 953 HB3 SER 47 3HB SER 47 -22.366 -6.867 -25.665 954 HG SER 47 HG SER 47 -20.220 -7.785 -26.879 955 H LYS 48 H LYS 48 -19.025 -4.259 -24.171 956 HA LYS 48 HA LYS 48 -21.220 -3.008 -22.695 957 HB2 LYS 48 2HB LYS 48 -19.246 -3.785 -21.398 958 HB3 LYS 48 3HB LYS 48 -18.194 -2.737 -22.341 959 HG2 LYS 48 2HG LYS 48 -18.643 -1.730 -20.157 960 HG3 LYS 48 3HG LYS 48 -19.343 -0.745 -21.437 961 HD2 LYS 48 2HD LYS 48 -20.902 -0.837 -19.598 962 HD3 LYS 48 3HD LYS 48 -21.578 -1.762 -20.939 963 HE2 LYS 48 2HE LYS 48 -21.957 -2.960 -18.868 964 HE3 LYS 48 3HE LYS 48 -20.773 -3.864 -19.815 965 HZ1 LYS 48 1HZ LYS 48 -19.027 -2.793 -18.461 966 HZ2 LYS 48 2HZ LYS 48 -20.069 -3.758 -17.541 967 HZ3 LYS 48 3HZ LYS 48 -20.226 -2.077 -17.513 968 H LYS 49 H LYS 49 -21.661 -0.866 -22.753 969 HA LYS 49 HA LYS 49 -21.006 0.693 -25.085 970 HB2 LYS 49 2HB LYS 49 -23.238 0.542 -23.542 971 HB3 LYS 49 3HB LYS 49 -22.452 1.860 -22.689 972 HG2 LYS 49 2HG LYS 49 -23.996 2.788 -24.275 973 HG3 LYS 49 3HG LYS 49 -22.358 3.133 -24.848 974 HD2 LYS 49 2HD LYS 49 -22.501 1.292 -26.464 975 HD3 LYS 49 3HD LYS 49 -24.085 0.825 -25.837 976 HE2 LYS 49 2HE LYS 49 -24.968 3.058 -26.571 977 HE3 LYS 49 3HE LYS 49 -23.391 3.392 -27.296 978 HZ1 LYS 49 1HZ LYS 49 -24.971 2.549 -28.912 979 HZ2 LYS 49 2HZ LYS 49 -25.165 1.123 -28.027 980 HZ3 LYS 49 3HZ LYS 49 -23.671 1.485 -28.732 981 H ALA 50 H ALA 50 -20.560 3.231 -24.453 982 HA ALA 50 HA ALA 50 -17.925 3.412 -23.419 983 HB1 ALA 50 1HB ALA 50 -18.803 5.030 -25.071 984 HB2 ALA 50 2HB ALA 50 -18.211 5.856 -23.626 985 HB3 ALA 50 3HB ALA 50 -19.947 5.640 -23.870 986 H ILE 51 H ILE 51 -17.297 3.413 -21.341 987 HA ILE 51 HA ILE 51 -19.235 3.557 -19.150 988 HB ILE 51 HB ILE 51 -17.208 2.893 -17.706 989 HG12 ILE 51 2HG1 ILE 51 -15.323 1.711 -19.080 990 HG13 ILE 51 3HG1 ILE 51 -15.857 2.678 -20.447 991 HG21 ILE 51 1HG2 ILE 51 -18.050 1.012 -19.941 992 HG22 ILE 51 2HG2 ILE 51 -18.913 1.289 -18.426 993 HG23 ILE 51 3HG2 ILE 51 -17.320 0.533 -18.404 994 HD11 ILE 51 1HD1 ILE 51 -14.789 3.761 -17.835 995 HD12 ILE 51 2HD1 ILE 51 -15.234 4.715 -19.253 996 HD13 ILE 51 3HD1 ILE 51 -13.876 3.594 -19.335 997 H GLU 52 H GLU 52 -18.460 5.976 -20.644 998 HA GLU 52 HA GLU 52 -17.505 7.729 -18.474 999 HB2 GLU 52 2HB GLU 52 -16.283 9.060 -20.210 1000 HB3 GLU 52 3HB GLU 52 -15.647 7.422 -20.049 1001 HG2 GLU 52 2HG GLU 52 -16.938 6.728 -22.056 1002 HG3 GLU 52 3HG GLU 52 -17.540 8.373 -22.227 1003 H ASP 53 H ASP 53 -17.962 10.110 -19.278 1004 HA ASP 53 HA ASP 53 -20.207 10.608 -20.988 1005 HB2 ASP 53 2HB ASP 53 -21.468 9.741 -19.027 1006 HB3 ASP 53 3HB ASP 53 -20.636 10.864 -17.964 1007 H GLY 54 H GLY 54 -20.447 12.860 -21.368 1008 HA2 GLY 54 2HA GLY 54 -18.626 14.724 -19.983 1009 HA3 GLY 54 3HA GLY 54 -18.438 14.499 -21.718 1010 H VAL 55 H VAL 55 -21.343 14.746 -19.636 1011 HA VAL 55 HA VAL 55 -22.647 16.614 -21.364 1012 HB VAL 55 HB VAL 55 -23.899 15.035 -19.877 1013 HG11 VAL 55 1HG1 VAL 55 -22.512 15.131 -17.868 1014 HG12 VAL 55 2HG1 VAL 55 -24.197 15.480 -17.475 1015 HG13 VAL 55 3HG1 VAL 55 -23.017 16.794 -17.565 1016 HG21 VAL 55 1HG2 VAL 55 -25.089 16.974 -20.782 1017 HG22 VAL 55 2HG2 VAL 55 -24.604 17.957 -19.399 1018 HG23 VAL 55 3HG2 VAL 55 -25.696 16.587 -19.169 1019 HA PRO 56 HA PRO 56 -20.551 20.356 -19.791 1020 HB2 PRO 56 2HB PRO 56 -22.205 22.272 -20.879 1021 HB3 PRO 56 3HB PRO 56 -21.069 21.330 -21.867 1022 HG2 PRO 56 2HG PRO 56 -24.011 20.862 -21.441 1023 HG3 PRO 56 3HG PRO 56 -23.088 20.875 -22.964 1024 HD2 PRO 56 2HD PRO 56 -23.715 18.558 -21.744 1025 HD3 PRO 56 3HD PRO 56 -22.165 18.758 -22.588 1026 H GLN 57 H GLN 57 -21.595 22.639 -18.927 1027 HA GLN 57 HA GLN 57 -22.687 22.074 -16.346 1028 HB2 GLN 57 2HB GLN 57 -22.497 24.803 -17.731 1029 HB3 GLN 57 3HB GLN 57 -22.823 24.538 -16.024 1030 HG2 GLN 57 2HG GLN 57 -20.557 25.213 -16.142 1031 HG3 GLN 57 3HG GLN 57 -20.507 23.477 -15.859 1032 HE21 GLN 57 1HE2 GLN 57 -20.035 25.992 -18.259 1033 HE22 GLN 57 2HE2 GLN 57 -19.046 25.054 -19.320 1034 HA PRO 58 HA PRO 58 -27.083 21.835 -17.473 1035 HB2 PRO 58 2HB PRO 58 -28.104 22.938 -15.055 1036 HB3 PRO 58 3HB PRO 58 -27.762 21.228 -15.357 1037 HG2 PRO 58 2HG PRO 58 -26.058 23.264 -13.976 1038 HG3 PRO 58 3HG PRO 58 -26.310 21.550 -13.576 1039 HD2 PRO 58 2HD PRO 58 -24.055 22.325 -14.780 1040 HD3 PRO 58 3HD PRO 58 -24.843 20.803 -15.262 1041 H GLU 59 H GLU 59 -26.021 24.800 -15.801 1042 HA GLU 59 HA GLU 59 -27.025 26.410 -18.070 1043 HB2 GLU 59 2HB GLU 59 -28.581 26.796 -16.199 1044 HB3 GLU 59 3HB GLU 59 -27.238 27.107 -15.106 1045 HG2 GLU 59 2HG GLU 59 -28.356 29.196 -15.759 1046 HG3 GLU 59 3HG GLU 59 -26.682 29.166 -16.307 1047 H ALA 60 H ALA 60 -25.208 27.122 -15.105 1048 HA ALA 60 HA ALA 60 -22.584 27.142 -15.891 1049 HB1 ALA 60 1HB ALA 60 -23.853 29.886 -16.365 1050 HB2 ALA 60 2HB ALA 60 -23.139 28.851 -17.602 1051 HB3 ALA 60 3HB ALA 60 -22.118 29.550 -16.349 1052 H LEU 61 H LEU 61 -21.326 27.772 -14.115 1053 HA LEU 61 HA LEU 61 -22.486 29.413 -11.976 1054 HB2 LEU 61 2HB LEU 61 -22.021 27.800 -10.206 1055 HB3 LEU 61 3HB LEU 61 -23.188 27.147 -11.334 1056 HG LEU 61 HG LEU 61 -20.238 26.353 -11.360 1057 HD11 LEU 61 1HD1 LEU 61 -21.191 25.736 -9.186 1058 HD12 LEU 61 2HD1 LEU 61 -20.854 24.307 -10.154 1059 HD13 LEU 61 3HD1 LEU 61 -22.515 24.883 -9.983 1060 HD21 LEU 61 1HD2 LEU 61 -21.375 25.894 -13.481 1061 HD22 LEU 61 2HD2 LEU 61 -22.654 25.015 -12.640 1062 HD23 LEU 61 3HD2 LEU 61 -21.004 24.384 -12.647 1063 H GLU 62 H GLU 62 -20.192 29.326 -14.004 1064 HA GLU 62 HA GLU 62 -17.851 29.646 -12.255 1065 HB2 GLU 62 2HB GLU 62 -18.186 29.572 -15.288 1066 HB3 GLU 62 3HB GLU 62 -16.667 30.025 -14.530 1067 HG2 GLU 62 2HG GLU 62 -16.683 27.683 -15.279 1068 HG3 GLU 62 3HG GLU 62 -16.451 27.822 -13.536 Start of MODEL 5 1 H1 MET 1 1H MET 1 -3.534 -23.211 -17.670 2 H2 MET 1 2H MET 1 -4.265 -24.569 -16.975 3 H3 MET 1 3H MET 1 -3.370 -24.727 -18.397 4 HA MET 1 HA MET 1 -2.260 -23.892 -15.794 5 HB2 MET 1 2HB MET 1 -2.121 -26.575 -17.221 6 HB3 MET 1 3HB MET 1 -1.127 -26.152 -15.830 7 HG2 MET 1 2HG MET 1 -4.136 -26.421 -15.895 8 HG3 MET 1 3HG MET 1 -2.986 -27.503 -15.101 9 HE1 MET 1 1HE MET 1 -4.990 -25.608 -12.189 10 HE2 MET 1 2HE MET 1 -4.644 -27.191 -12.882 11 HE3 MET 1 3HE MET 1 -5.622 -26.031 -13.782 12 H GLU 2 H GLU 2 -1.280 -22.166 -16.864 13 HA GLU 2 HA GLU 2 1.186 -22.810 -18.283 14 HB2 GLU 2 2HB GLU 2 0.388 -20.464 -19.633 15 HB3 GLU 2 3HB GLU 2 0.457 -22.082 -20.304 16 HG2 GLU 2 2HG GLU 2 -1.659 -20.907 -20.801 17 HG3 GLU 2 3HG GLU 2 -1.898 -22.417 -19.941 18 H GLU 3 H GLU 3 -0.198 -19.586 -17.916 19 HA GLU 3 HA GLU 3 1.130 -18.785 -15.537 20 HB2 GLU 3 2HB GLU 3 3.135 -19.166 -17.032 21 HB3 GLU 3 3HB GLU 3 2.494 -17.978 -18.159 22 HG2 GLU 3 2HG GLU 3 2.739 -16.213 -16.501 23 HG3 GLU 3 3HG GLU 3 3.283 -17.372 -15.288 24 H LEU 4 H LEU 4 0.332 -16.767 -14.963 25 HA LEU 4 HA LEU 4 -1.720 -15.544 -16.600 26 HB2 LEU 4 2HB LEU 4 -0.628 -14.697 -13.885 27 HB3 LEU 4 3HB LEU 4 -2.052 -14.020 -14.659 28 HG LEU 4 HG LEU 4 -1.778 -16.895 -13.688 29 HD11 LEU 4 1HD1 LEU 4 -3.380 -16.295 -11.934 30 HD12 LEU 4 2HD1 LEU 4 -3.391 -14.618 -12.486 31 HD13 LEU 4 3HD1 LEU 4 -1.915 -15.321 -11.817 32 HD21 LEU 4 1HD2 LEU 4 -3.243 -16.786 -15.641 33 HD22 LEU 4 2HD2 LEU 4 -4.200 -15.507 -14.887 34 HD23 LEU 4 3HD2 LEU 4 -4.178 -17.126 -14.184 35 H SER 5 H SER 5 -0.148 -15.122 -18.339 36 HA SER 5 HA SER 5 1.850 -13.029 -17.949 37 HB2 SER 5 2HB SER 5 1.228 -14.654 -20.451 38 HB3 SER 5 3HB SER 5 2.674 -13.689 -20.157 39 HG SER 5 HG SER 5 3.270 -15.136 -18.552 40 H GLY 6 H GLY 6 -0.670 -13.682 -20.429 41 HA2 GLY 6 2HA GLY 6 -1.116 -10.756 -20.762 42 HA3 GLY 6 3HA GLY 6 -0.841 -11.827 -22.130 43 H LYS 7 H LYS 7 -2.718 -12.701 -19.319 44 HA LYS 7 HA LYS 7 -5.261 -12.335 -20.792 45 HB2 LYS 7 2HB LYS 7 -6.171 -14.352 -19.667 46 HB3 LYS 7 3HB LYS 7 -4.836 -14.746 -20.722 47 HG2 LYS 7 2HG LYS 7 -4.393 -14.400 -17.752 48 HG3 LYS 7 3HG LYS 7 -5.019 -15.914 -18.401 49 HD2 LYS 7 2HD LYS 7 -2.380 -14.619 -19.189 50 HD3 LYS 7 3HD LYS 7 -2.567 -15.992 -18.095 51 HE2 LYS 7 2HE LYS 7 -3.278 -15.946 -21.046 52 HE3 LYS 7 3HE LYS 7 -1.908 -16.775 -20.308 53 HZ1 LYS 7 1HZ LYS 7 -3.646 -18.328 -20.718 54 HZ2 LYS 7 2HZ LYS 7 -4.775 -17.389 -19.892 55 HZ3 LYS 7 3HZ LYS 7 -3.505 -18.119 -19.049 56 HA PRO 8 HA PRO 8 -6.708 -9.978 -17.283 57 HB2 PRO 8 2HB PRO 8 -9.328 -10.840 -17.001 58 HB3 PRO 8 3HB PRO 8 -8.793 -9.766 -18.305 59 HG2 PRO 8 2HG PRO 8 -9.153 -12.751 -18.382 60 HG3 PRO 8 3HG PRO 8 -9.715 -11.523 -19.544 61 HD2 PRO 8 2HD PRO 8 -7.505 -12.918 -20.054 62 HD3 PRO 8 3HD PRO 8 -7.573 -11.180 -20.428 63 H LEU 9 H LEU 9 -7.235 -10.089 -15.066 64 HA LEU 9 HA LEU 9 -6.423 -12.437 -13.645 65 HB2 LEU 9 2HB LEU 9 -7.165 -10.990 -11.601 66 HB3 LEU 9 3HB LEU 9 -5.789 -10.484 -12.552 67 HG LEU 9 HG LEU 9 -7.258 -8.785 -13.721 68 HD11 LEU 9 1HD1 LEU 9 -9.388 -8.104 -12.694 69 HD12 LEU 9 2HD1 LEU 9 -9.332 -9.521 -11.643 70 HD13 LEU 9 3HD1 LEU 9 -9.465 -9.723 -13.391 71 HD21 LEU 9 1HD2 LEU 9 -5.780 -8.107 -11.912 72 HD22 LEU 9 2HD2 LEU 9 -7.017 -8.486 -10.711 73 HD23 LEU 9 3HD2 LEU 9 -7.273 -7.170 -11.862 74 H SER 10 H SER 10 -7.682 -13.734 -12.252 75 HA SER 10 HA SER 10 -10.369 -14.299 -13.108 76 HB2 SER 10 2HB SER 10 -8.747 -15.439 -10.795 77 HB3 SER 10 3HB SER 10 -10.232 -16.134 -11.448 78 HG SER 10 HG SER 10 -9.180 -16.685 -13.287 79 H TYR 11 H TYR 11 -12.026 -14.741 -11.213 80 HA TYR 11 HA TYR 11 -12.852 -12.248 -10.214 81 HB2 TYR 11 2HB TYR 11 -14.448 -14.098 -10.647 82 HB3 TYR 11 3HB TYR 11 -13.738 -15.035 -9.336 83 HD1 TYR 11 HD1 TYR 11 -15.705 -11.949 -10.092 84 HD2 TYR 11 HD2 TYR 11 -14.438 -14.663 -7.039 85 HE1 TYR 11 HE1 TYR 11 -17.237 -10.883 -8.503 86 HE2 TYR 11 HE2 TYR 11 -15.972 -13.577 -5.444 87 HH TYR 11 HH TYR 11 -17.076 -11.362 -5.183 88 H ALA 12 H ALA 12 -11.506 -15.073 -8.482 89 HA ALA 12 HA ALA 12 -11.379 -13.965 -5.899 90 HB1 ALA 12 1HB ALA 12 -11.234 -16.382 -6.324 91 HB2 ALA 12 2HB ALA 12 -9.856 -15.828 -5.371 92 HB3 ALA 12 3HB ALA 12 -9.662 -16.166 -7.094 93 H GLU 13 H GLU 13 -9.113 -13.816 -8.609 94 HA GLU 13 HA GLU 13 -6.896 -12.698 -7.224 95 HB2 GLU 13 2HB GLU 13 -7.620 -12.435 -10.177 96 HB3 GLU 13 3HB GLU 13 -6.061 -12.029 -9.472 97 HG2 GLU 13 2HG GLU 13 -7.301 -14.775 -9.686 98 HG3 GLU 13 3HG GLU 13 -5.892 -14.167 -10.554 99 H LYS 14 H LYS 14 -9.633 -11.277 -8.989 100 HA LYS 14 HA LYS 14 -8.930 -8.553 -8.736 101 HB2 LYS 14 2HB LYS 14 -10.595 -9.368 -10.361 102 HB3 LYS 14 3HB LYS 14 -11.675 -9.859 -9.072 103 HG2 LYS 14 2HG LYS 14 -10.880 -6.956 -9.227 104 HG3 LYS 14 3HG LYS 14 -12.018 -7.568 -10.418 105 HD2 LYS 14 2HD LYS 14 -12.418 -7.809 -7.409 106 HD3 LYS 14 3HD LYS 14 -13.098 -6.513 -8.401 107 HE2 LYS 14 2HE LYS 14 -14.278 -8.291 -9.768 108 HE3 LYS 14 3HE LYS 14 -13.725 -9.480 -8.581 109 HZ1 LYS 14 1HZ LYS 14 -15.510 -7.156 -8.080 110 HZ2 LYS 14 2HZ LYS 14 -14.885 -8.130 -6.862 111 HZ3 LYS 14 3HZ LYS 14 -15.932 -8.793 -8.011 112 H GLU 15 H GLU 15 -10.714 -10.760 -6.627 113 HA GLU 15 HA GLU 15 -11.741 -8.840 -4.792 114 HB2 GLU 15 2HB GLU 15 -11.236 -11.822 -4.449 115 HB3 GLU 15 3HB GLU 15 -12.158 -10.830 -3.328 116 HG2 GLU 15 2HG GLU 15 -12.888 -11.197 -6.225 117 HG3 GLU 15 3HG GLU 15 -13.501 -12.212 -4.934 118 H LYS 16 H LYS 16 -8.948 -11.070 -4.592 119 HA LYS 16 HA LYS 16 -7.948 -10.078 -2.133 120 HB2 LYS 16 2HB LYS 16 -5.908 -11.301 -2.541 121 HB3 LYS 16 3HB LYS 16 -7.261 -12.283 -3.082 122 HG2 LYS 16 2HG LYS 16 -6.767 -11.574 -5.442 123 HG3 LYS 16 3HG LYS 16 -5.343 -10.723 -4.841 124 HD2 LYS 16 2HD LYS 16 -4.716 -12.915 -5.759 125 HD3 LYS 16 3HD LYS 16 -4.398 -12.865 -4.024 126 HE2 LYS 16 2HE LYS 16 -6.406 -14.159 -3.578 127 HE3 LYS 16 3HE LYS 16 -6.871 -14.096 -5.280 128 HZ1 LYS 16 1HZ LYS 16 -4.965 -15.419 -5.854 129 HZ2 LYS 16 2HZ LYS 16 -5.838 -16.217 -4.641 130 HZ3 LYS 16 3HZ LYS 16 -4.406 -15.404 -4.258 131 H LEU 17 H LEU 17 -7.656 -8.951 -5.411 132 HA LEU 17 HA LEU 17 -5.407 -7.225 -5.001 133 HB2 LEU 17 2HB LEU 17 -6.510 -8.268 -7.227 134 HB3 LEU 17 3HB LEU 17 -7.363 -6.740 -7.255 135 HG LEU 17 HG LEU 17 -5.323 -6.730 -8.676 136 HD11 LEU 17 1HD1 LEU 17 -6.099 -4.601 -7.728 137 HD12 LEU 17 2HD1 LEU 17 -4.352 -4.629 -7.915 138 HD13 LEU 17 3HD1 LEU 17 -5.071 -4.839 -6.312 139 HD21 LEU 17 1HD2 LEU 17 -3.989 -8.332 -7.321 140 HD22 LEU 17 2HD2 LEU 17 -3.758 -7.090 -6.084 141 HD23 LEU 17 3HD2 LEU 17 -3.087 -6.866 -7.702 142 H LYS 18 H LYS 18 -8.963 -6.665 -5.126 143 HA LYS 18 HA LYS 18 -8.737 -3.825 -4.837 144 HB2 LYS 18 2HB LYS 18 -11.186 -3.799 -4.595 145 HB3 LYS 18 3HB LYS 18 -10.691 -4.796 -5.949 146 HG2 LYS 18 2HG LYS 18 -12.361 -6.112 -5.060 147 HG3 LYS 18 3HG LYS 18 -10.965 -6.775 -4.218 148 HD2 LYS 18 2HD LYS 18 -11.521 -5.327 -2.243 149 HD3 LYS 18 3HD LYS 18 -12.951 -4.753 -3.099 150 HE2 LYS 18 2HE LYS 18 -12.434 -7.652 -2.356 151 HE3 LYS 18 3HE LYS 18 -13.453 -6.541 -1.441 152 HZ1 LYS 18 1HZ LYS 18 -14.733 -7.961 -2.928 153 HZ2 LYS 18 2HZ LYS 18 -13.913 -7.327 -4.264 154 HZ3 LYS 18 3HZ LYS 18 -14.905 -6.328 -3.328 155 H GLU 19 H GLU 19 -9.213 -6.508 -2.542 156 HA GLU 19 HA GLU 19 -9.581 -4.860 -0.225 157 HB2 GLU 19 2HB GLU 19 -9.329 -6.841 1.119 158 HB3 GLU 19 3HB GLU 19 -10.241 -7.299 -0.314 159 HG2 GLU 19 2HG GLU 19 -8.195 -8.273 -1.299 160 HG3 GLU 19 3HG GLU 19 -7.295 -7.812 0.135 161 H LYS 20 H LYS 20 -6.779 -6.256 -1.904 162 HA LYS 20 HA LYS 20 -4.718 -5.510 -0.183 163 HB2 LYS 20 2HB LYS 20 -3.888 -6.812 -1.890 164 HB3 LYS 20 3HB LYS 20 -4.926 -6.093 -3.110 165 HG2 LYS 20 2HG LYS 20 -3.452 -4.225 -3.410 166 HG3 LYS 20 3HG LYS 20 -2.505 -4.650 -1.978 167 HD2 LYS 20 2HD LYS 20 -2.677 -6.334 -4.509 168 HD3 LYS 20 3HD LYS 20 -1.358 -5.231 -4.116 169 HE2 LYS 20 2HE LYS 20 -1.046 -6.613 -1.965 170 HE3 LYS 20 3HE LYS 20 -2.115 -7.802 -2.709 171 HZ1 LYS 20 1HZ LYS 20 0.208 -8.325 -3.099 172 HZ2 LYS 20 2HZ LYS 20 0.451 -6.832 -3.850 173 HZ3 LYS 20 3HZ LYS 20 -0.562 -7.982 -4.564 174 H LEU 21 H LEU 21 -6.215 -3.630 -2.815 175 HA LEU 21 HA LEU 21 -4.618 -1.338 -2.710 176 HB2 LEU 21 2HB LEU 21 -7.559 -1.536 -3.484 177 HB3 LEU 21 3HB LEU 21 -6.491 -0.201 -3.898 178 HG LEU 21 HG LEU 21 -6.111 -3.059 -4.860 179 HD11 LEU 21 1HD1 LEU 21 -6.888 -2.299 -7.047 180 HD12 LEU 21 2HD1 LEU 21 -7.265 -0.711 -6.378 181 HD13 LEU 21 3HD1 LEU 21 -8.143 -2.136 -5.823 182 HD21 LEU 21 1HD2 LEU 21 -4.007 -1.842 -4.738 183 HD22 LEU 21 2HD2 LEU 21 -4.687 -0.521 -5.694 184 HD23 LEU 21 3HD2 LEU 21 -4.474 -2.117 -6.415 185 H ALA 22 H ALA 22 -7.736 -2.001 -1.114 186 HA ALA 22 HA ALA 22 -7.978 0.472 0.289 187 HB1 ALA 22 1HB ALA 22 -9.779 -0.665 1.535 188 HB2 ALA 22 2HB ALA 22 -9.260 -2.226 0.887 189 HB3 ALA 22 3HB ALA 22 -9.904 -0.988 -0.192 190 H PHE 23 H PHE 23 -6.593 -2.662 1.160 191 HA PHE 23 HA PHE 23 -6.297 -2.265 3.949 192 HB2 PHE 23 2HB PHE 23 -6.294 -4.500 2.890 193 HB3 PHE 23 3HB PHE 23 -4.790 -4.133 2.063 194 HD1 PHE 23 HD1 PHE 23 -6.320 -4.780 5.393 195 HD2 PHE 23 HD2 PHE 23 -2.684 -4.426 3.174 196 HE1 PHE 23 HE1 PHE 23 -5.061 -5.713 7.293 197 HE2 PHE 23 HE2 PHE 23 -1.434 -5.342 5.063 198 HZ PHE 23 HZ PHE 23 -2.616 -5.995 7.134 199 H LEU 24 H LEU 24 -3.883 -2.146 1.319 200 HA LEU 24 HA LEU 24 -1.788 -1.161 2.918 201 HB2 LEU 24 2HB LEU 24 -0.530 -0.803 0.865 202 HB3 LEU 24 3HB LEU 24 -1.308 -2.365 0.867 203 HG LEU 24 HG LEU 24 -3.101 -1.274 -0.678 204 HD11 LEU 24 1HD1 LEU 24 -2.517 1.068 -0.420 205 HD12 LEU 24 2HD1 LEU 24 -2.321 0.579 -2.096 206 HD13 LEU 24 3HD1 LEU 24 -0.901 0.776 -1.064 207 HD21 LEU 24 1HD2 LEU 24 -0.298 -1.739 -1.750 208 HD22 LEU 24 2HD2 LEU 24 -1.784 -1.729 -2.709 209 HD23 LEU 24 3HD2 LEU 24 -1.538 -2.966 -1.481 210 H LYS 25 H LYS 25 -4.355 0.436 1.141 211 HA LYS 25 HA LYS 25 -3.354 3.077 1.096 212 HB2 LYS 25 2HB LYS 25 -5.242 2.426 -0.267 213 HB3 LYS 25 3HB LYS 25 -6.204 1.995 1.142 214 HG2 LYS 25 2HG LYS 25 -6.391 4.342 1.782 215 HG3 LYS 25 3HG LYS 25 -5.301 4.825 0.481 216 HD2 LYS 25 2HD LYS 25 -8.035 3.536 0.111 217 HD3 LYS 25 3HD LYS 25 -7.669 5.249 -0.108 218 HE2 LYS 25 2HE LYS 25 -6.089 4.662 -1.925 219 HE3 LYS 25 3HE LYS 25 -6.501 2.959 -1.721 220 HZ1 LYS 25 1HZ LYS 25 -7.703 3.958 -3.560 221 HZ2 LYS 25 2HZ LYS 25 -8.380 5.110 -2.528 222 HZ3 LYS 25 3HZ LYS 25 -8.778 3.481 -2.347 223 H LYS 26 H LYS 26 -5.535 1.502 3.485 224 HA LYS 26 HA LYS 26 -5.823 3.864 5.072 225 HB2 LYS 26 2HB LYS 26 -6.996 2.436 6.711 226 HB3 LYS 26 3HB LYS 26 -7.609 2.232 5.078 227 HG2 LYS 26 2HG LYS 26 -6.233 0.107 4.919 228 HG3 LYS 26 3HG LYS 26 -5.869 0.298 6.641 229 HD2 LYS 26 2HD LYS 26 -8.280 0.192 7.186 230 HD3 LYS 26 3HD LYS 26 -8.677 0.070 5.467 231 HE2 LYS 26 2HE LYS 26 -8.809 -2.129 6.452 232 HE3 LYS 26 3HE LYS 26 -7.398 -2.096 5.390 233 HZ1 LYS 26 1HZ LYS 26 -6.851 -3.172 7.442 234 HZ2 LYS 26 2HZ LYS 26 -7.406 -1.866 8.350 235 HZ3 LYS 26 3HZ LYS 26 -6.028 -1.698 7.390 236 H GLU 27 H GLU 27 -3.770 0.947 5.341 237 HA GLU 27 HA GLU 27 -2.581 1.691 7.817 238 HB2 GLU 27 2HB GLU 27 -0.882 0.036 7.461 239 HB3 GLU 27 3HB GLU 27 -2.401 -0.636 6.894 240 HG2 GLU 27 2HG GLU 27 -1.741 -0.239 4.576 241 HG3 GLU 27 3HG GLU 27 -0.246 0.527 5.107 242 H TYR 28 H TYR 28 -1.738 2.347 4.404 243 HA TYR 28 HA TYR 28 0.768 3.527 4.686 244 HB2 TYR 28 2HB TYR 28 -0.048 3.053 2.465 245 HB3 TYR 28 3HB TYR 28 -1.470 4.060 2.676 246 HD1 TYR 28 HD1 TYR 28 2.228 4.143 2.131 247 HD2 TYR 28 HD2 TYR 28 -1.384 6.426 2.141 248 HE1 TYR 28 HE1 TYR 28 3.406 6.015 1.058 249 HE2 TYR 28 HE2 TYR 28 -0.206 8.298 1.070 250 HH TYR 28 HH TYR 28 2.075 9.145 0.837 251 H SER 29 H SER 29 -2.427 5.102 4.727 252 HA SER 29 HA SER 29 -1.483 7.735 5.024 253 HB2 SER 29 2HB SER 29 -3.776 7.152 4.254 254 HB3 SER 29 3HB SER 29 -4.187 6.611 5.881 255 HG SER 29 HG SER 29 -3.516 9.230 5.025 256 H ARG 30 H ARG 30 -2.634 5.380 7.489 257 HA ARG 30 HA ARG 30 -2.290 7.199 9.704 258 HB2 ARG 30 2HB ARG 30 -2.750 4.194 9.606 259 HB3 ARG 30 3HB ARG 30 -2.702 5.127 11.100 260 HG2 ARG 30 2HG ARG 30 -4.620 6.508 10.235 261 HG3 ARG 30 3HG ARG 30 -4.729 5.404 8.859 262 HD2 ARG 30 2HD ARG 30 -6.350 4.814 10.608 263 HD3 ARG 30 3HD ARG 30 -5.164 3.521 10.391 264 HE ARG 30 HE ARG 30 -4.210 5.173 12.422 265 HH11 ARG 30 1HH1 ARG 30 -7.002 3.065 11.935 266 HH12 ARG 30 2HH1 ARG 30 -7.171 2.710 13.630 267 HH21 ARG 30 1HH2 ARG 30 -4.448 4.686 14.637 268 HH22 ARG 30 2HH2 ARG 30 -5.730 3.625 15.147 269 H THR 31 H THR 31 -0.293 4.627 8.341 270 HA THR 31 HA THR 31 1.539 4.530 10.552 271 HB THR 31 HB THR 31 0.960 2.510 9.085 272 HG1 THR 31 HG1 THR 31 3.029 1.660 9.399 273 HG21 THR 31 1HG2 THR 31 2.348 2.070 7.119 274 HG22 THR 31 2HG2 THR 31 3.095 3.662 7.250 275 HG23 THR 31 3HG2 THR 31 1.385 3.527 6.847 276 H LEU 32 H LEU 32 1.516 5.967 7.318 277 HA LEU 32 HA LEU 32 4.138 7.065 7.406 278 HB2 LEU 32 2HB LEU 32 2.765 6.876 5.323 279 HB3 LEU 32 3HB LEU 32 1.695 8.131 5.908 280 HG LEU 32 HG LEU 32 4.636 8.789 5.585 281 HD11 LEU 32 1HD1 LEU 32 4.097 7.668 3.476 282 HD12 LEU 32 2HD1 LEU 32 4.351 9.392 3.231 283 HD13 LEU 32 3HD1 LEU 32 2.711 8.736 3.241 284 HD21 LEU 32 1HD2 LEU 32 3.168 10.489 6.573 285 HD22 LEU 32 2HD2 LEU 32 2.140 10.455 5.139 286 HD23 LEU 32 3HD2 LEU 32 3.807 11.026 5.020 287 H ALA 33 H ALA 33 0.915 8.197 8.416 288 HA ALA 33 HA ALA 33 1.469 10.777 9.264 289 HB1 ALA 33 1HB ALA 33 -0.460 8.810 10.551 290 HB2 ALA 33 2HB ALA 33 -0.803 9.828 9.150 291 HB3 ALA 33 3HB ALA 33 -0.499 10.573 10.717 292 H ARG 34 H ARG 34 1.605 7.775 11.212 293 HA ARG 34 HA ARG 34 2.458 9.049 13.615 294 HB2 ARG 34 2HB ARG 34 2.656 6.826 14.565 295 HB3 ARG 34 3HB ARG 34 1.177 6.933 13.620 296 HG2 ARG 34 2HG ARG 34 2.415 5.776 11.740 297 HG3 ARG 34 3HG ARG 34 3.740 5.505 12.868 298 HD2 ARG 34 2HD ARG 34 0.897 4.487 13.166 299 HD3 ARG 34 3HD ARG 34 2.308 3.530 12.705 300 HE ARG 34 HE ARG 34 2.315 4.898 15.307 301 HH11 ARG 34 1HH1 ARG 34 2.134 1.842 13.566 302 HH12 ARG 34 2HH1 ARG 34 2.442 0.891 14.988 303 HH21 ARG 34 1HH2 ARG 34 2.759 3.637 17.132 304 HH22 ARG 34 2HH2 ARG 34 2.795 1.904 16.993 305 H LEU 35 H LEU 35 4.193 7.479 10.950 306 HA LEU 35 HA LEU 35 6.797 7.458 12.053 307 HB2 LEU 35 2HB LEU 35 5.992 6.396 9.848 308 HB3 LEU 35 3HB LEU 35 6.152 7.974 9.111 309 HG LEU 35 HG LEU 35 8.503 6.494 10.391 310 HD11 LEU 35 1HD1 LEU 35 9.227 5.838 8.145 311 HD12 LEU 35 2HD1 LEU 35 7.742 6.502 7.455 312 HD13 LEU 35 3HD1 LEU 35 7.668 5.131 8.560 313 HD21 LEU 35 1HD2 LEU 35 8.908 8.894 10.161 314 HD22 LEU 35 2HD2 LEU 35 8.506 8.823 8.447 315 HD23 LEU 35 3HD2 LEU 35 9.932 7.979 9.054 316 H GLN 36 H GLN 36 5.015 9.966 10.219 317 HA GLN 36 HA GLN 36 7.073 11.925 10.252 318 HB2 GLN 36 2HB GLN 36 4.080 12.419 9.942 319 HB3 GLN 36 3HB GLN 36 5.362 13.551 9.527 320 HG2 GLN 36 2HG GLN 36 4.718 10.934 8.162 321 HG3 GLN 36 3HG GLN 36 4.509 12.549 7.504 322 HE21 GLN 36 1HE2 GLN 36 6.026 10.218 6.476 323 HE22 GLN 36 2HE2 GLN 36 7.640 10.789 6.245 324 H ARG 37 H ARG 37 4.413 11.177 12.463 325 HA ARG 37 HA ARG 37 4.599 13.505 14.090 326 HB2 ARG 37 2HB ARG 37 3.476 10.733 14.722 327 HB3 ARG 37 3HB ARG 37 3.336 12.113 15.807 328 HG2 ARG 37 2HG ARG 37 2.152 11.909 13.025 329 HG3 ARG 37 3HG ARG 37 1.268 11.778 14.540 330 HD2 ARG 37 2HD ARG 37 1.829 14.120 15.074 331 HD3 ARG 37 3HD ARG 37 2.746 14.249 13.570 332 HE ARG 37 HE ARG 37 0.168 13.448 12.898 333 HH11 ARG 37 1HH1 ARG 37 1.719 16.294 14.312 334 HH12 ARG 37 2HH1 ARG 37 0.510 17.387 13.706 335 HH21 ARG 37 1HH2 ARG 37 -1.379 14.890 12.117 336 HH22 ARG 37 2HH2 ARG 37 -1.246 16.589 12.463 337 H ALA 38 H ALA 38 6.150 10.327 14.209 338 HA ALA 38 HA ALA 38 7.395 10.599 16.762 339 HB1 ALA 38 1HB ALA 38 8.207 8.806 14.431 340 HB2 ALA 38 2HB ALA 38 7.019 8.399 15.669 341 HB3 ALA 38 3HB ALA 38 8.704 8.626 16.120 342 H LYS 39 H LYS 39 8.562 11.153 13.440 343 HA LYS 39 HA LYS 39 11.223 11.853 14.279 344 HB2 LYS 39 2HB LYS 39 11.696 12.263 11.930 345 HB3 LYS 39 3HB LYS 39 10.787 10.769 12.099 346 HG2 LYS 39 2HG LYS 39 8.708 12.053 11.452 347 HG3 LYS 39 3HG LYS 39 9.745 13.431 11.088 348 HD2 LYS 39 2HD LYS 39 9.851 10.700 9.749 349 HD3 LYS 39 3HD LYS 39 9.203 12.178 9.046 350 HE2 LYS 39 2HE LYS 39 12.103 11.722 9.814 351 HE3 LYS 39 3HE LYS 39 11.446 11.662 8.182 352 HZ1 LYS 39 1HZ LYS 39 12.501 13.775 8.631 353 HZ2 LYS 39 2HZ LYS 39 11.468 14.051 9.939 354 HZ3 LYS 39 3HZ LYS 39 10.847 13.983 8.373 355 H ARG 40 H ARG 40 8.287 13.692 13.528 356 HA ARG 40 HA ARG 40 9.624 16.267 13.653 357 HB2 ARG 40 2HB ARG 40 6.727 15.442 13.340 358 HB3 ARG 40 3HB ARG 40 7.131 17.113 13.702 359 HG2 ARG 40 2HG ARG 40 8.402 15.706 11.343 360 HG3 ARG 40 3HG ARG 40 6.792 16.415 11.230 361 HD2 ARG 40 2HD ARG 40 8.643 17.904 10.412 362 HD3 ARG 40 3HD ARG 40 7.629 18.619 11.662 363 HE ARG 40 HE ARG 40 9.462 18.153 13.254 364 HH11 ARG 40 1HH1 ARG 40 10.308 18.359 9.826 365 HH12 ARG 40 2HH1 ARG 40 11.961 18.767 10.155 366 HH21 ARG 40 1HH2 ARG 40 11.640 18.665 13.637 367 HH22 ARG 40 2HH2 ARG 40 12.704 18.937 12.298 368 H ALA 41 H ALA 41 8.022 14.165 15.947 369 HA ALA 41 HA ALA 41 7.646 16.063 18.049 370 HB1 ALA 41 1HB ALA 41 7.479 14.105 19.531 371 HB2 ALA 41 2HB ALA 41 8.068 13.048 18.242 372 HB3 ALA 41 3HB ALA 41 6.521 13.883 18.072 373 H GLU 42 H GLU 42 10.256 13.798 17.211 374 HA GLU 42 HA GLU 42 12.478 14.023 17.223 375 HB2 GLU 42 2HB GLU 42 11.969 16.855 18.183 376 HB3 GLU 42 3HB GLU 42 13.575 16.228 17.829 377 HG2 GLU 42 2HG GLU 42 12.928 15.808 15.506 378 HG3 GLU 42 3HG GLU 42 11.301 16.386 15.830 379 H LYS 43 H LYS 43 10.765 14.375 20.183 380 HA LYS 43 HA LYS 43 12.712 14.674 22.127 381 HB2 LYS 43 2HB LYS 43 11.112 13.898 23.707 382 HB3 LYS 43 3HB LYS 43 10.181 14.651 22.431 383 HG2 LYS 43 2HG LYS 43 10.550 11.665 22.813 384 HG3 LYS 43 3HG LYS 43 9.127 12.593 23.278 385 HD2 LYS 43 2HD LYS 43 8.790 13.180 20.840 386 HD3 LYS 43 3HD LYS 43 10.138 12.105 20.452 387 HE2 LYS 43 2HE LYS 43 8.025 10.930 20.098 388 HE3 LYS 43 3HE LYS 43 8.877 10.198 21.462 389 HZ1 LYS 43 1HZ LYS 43 7.454 11.471 22.969 390 HZ2 LYS 43 2HZ LYS 43 6.526 10.497 21.949 391 HZ3 LYS 43 3HZ LYS 43 6.647 12.155 21.659 392 H ALA 44 H ALA 44 12.127 11.898 20.169 393 HA ALA 44 HA ALA 44 13.345 9.837 21.633 394 HB1 ALA 44 1HB ALA 44 13.189 10.192 18.627 395 HB2 ALA 44 2HB ALA 44 11.955 9.463 19.651 396 HB3 ALA 44 3HB ALA 44 13.518 8.672 19.477 397 H LYS 45 H LYS 45 14.850 12.621 20.419 398 HA LYS 45 HA LYS 45 17.423 11.676 19.684 399 HB2 LYS 45 2HB LYS 45 18.160 14.069 20.087 400 HB3 LYS 45 3HB LYS 45 16.820 13.884 18.977 401 HG2 LYS 45 2HG LYS 45 16.236 15.773 20.223 402 HG3 LYS 45 3HG LYS 45 15.307 14.482 20.977 403 HD2 LYS 45 2HD LYS 45 16.231 15.964 22.680 404 HD3 LYS 45 3HD LYS 45 16.978 14.373 22.812 405 HE2 LYS 45 2HE LYS 45 18.947 15.263 21.535 406 HE3 LYS 45 3HE LYS 45 18.191 16.857 21.563 407 HZ1 LYS 45 1HZ LYS 45 18.285 16.845 23.972 408 HZ2 LYS 45 2HZ LYS 45 19.828 16.585 23.338 409 HZ3 LYS 45 3HZ LYS 45 18.954 15.290 23.977 410 H ASN 46 H ASN 46 15.955 11.482 22.639 411 HA ASN 46 HA ASN 46 16.571 11.024 24.751 412 HB2 ASN 46 2HB ASN 46 18.360 9.553 23.894 413 HB3 ASN 46 3HB ASN 46 19.438 10.926 23.690 414 HD21 ASN 46 1HD2 ASN 46 17.355 10.393 26.527 415 HD22 ASN 46 2HD2 ASN 46 18.654 10.132 27.626 416 H SER 47 H SER 47 15.706 13.058 25.157 417 HA SER 47 HA SER 47 17.112 15.487 25.431 418 HB2 SER 47 2HB SER 47 15.147 16.045 27.002 419 HB3 SER 47 3HB SER 47 14.706 15.526 25.373 420 HG SER 47 HG SER 47 14.168 14.356 27.781 421 H LYS 48 H LYS 48 16.748 16.401 28.017 422 HA LYS 48 HA LYS 48 19.104 15.526 29.284 423 HB2 LYS 48 2HB LYS 48 18.398 17.816 29.566 424 HB3 LYS 48 3HB LYS 48 16.863 17.329 30.270 425 HG2 LYS 48 2HG LYS 48 18.554 18.258 31.908 426 HG3 LYS 48 3HG LYS 48 17.904 16.672 32.324 427 HD2 LYS 48 2HD LYS 48 20.294 16.704 32.768 428 HD3 LYS 48 3HD LYS 48 19.969 15.613 31.424 429 HE2 LYS 48 2HE LYS 48 20.626 17.519 29.868 430 HE3 LYS 48 3HE LYS 48 21.168 18.395 31.301 431 HZ1 LYS 48 1HZ LYS 48 22.205 15.777 30.334 432 HZ2 LYS 48 2HZ LYS 48 22.667 16.509 31.784 433 HZ3 LYS 48 3HZ LYS 48 23.025 17.256 30.310 434 H LYS 49 H LYS 49 19.022 13.393 29.626 435 HA LYS 49 HA LYS 49 17.373 12.367 31.861 436 HB2 LYS 49 2HB LYS 49 18.546 10.844 29.488 437 HB3 LYS 49 3HB LYS 49 17.718 10.085 30.835 438 HG2 LYS 49 2HG LYS 49 16.338 12.103 29.048 439 HG3 LYS 49 3HG LYS 49 16.434 10.396 28.630 440 HD2 LYS 49 2HD LYS 49 14.312 10.648 29.646 441 HD3 LYS 49 3HD LYS 49 15.316 9.915 30.892 442 HE2 LYS 49 2HE LYS 49 15.585 12.137 31.952 443 HE3 LYS 49 3HE LYS 49 14.568 12.849 30.701 444 HZ1 LYS 49 1HZ LYS 49 13.693 10.741 32.610 445 HZ2 LYS 49 2HZ LYS 49 12.726 11.512 31.458 446 HZ3 LYS 49 3HZ LYS 49 13.348 12.391 32.755 447 H ALA 50 H ALA 50 18.475 11.050 33.377 448 HA ALA 50 HA ALA 50 21.279 11.606 33.780 449 HB1 ALA 50 1HB ALA 50 19.400 9.765 35.311 450 HB2 ALA 50 2HB ALA 50 19.725 11.461 35.684 451 HB3 ALA 50 3HB ALA 50 21.015 10.270 35.826 452 H ILE 51 H ILE 51 22.693 9.600 34.443 453 HA ILE 51 HA ILE 51 23.242 8.220 32.030 454 HB ILE 51 HB ILE 51 25.063 7.059 33.276 455 HG12 ILE 51 2HG1 ILE 51 25.379 8.116 35.758 456 HG13 ILE 51 3HG1 ILE 51 23.627 8.147 35.706 457 HG21 ILE 51 1HG2 ILE 51 26.360 9.100 33.820 458 HG22 ILE 51 2HG2 ILE 51 24.871 10.048 33.817 459 HG23 ILE 51 3HG2 ILE 51 25.438 9.291 32.327 460 HD11 ILE 51 1HD1 ILE 51 24.441 6.163 36.830 461 HD12 ILE 51 2HD1 ILE 51 25.375 5.703 35.408 462 HD13 ILE 51 3HD1 ILE 51 23.612 5.708 35.342 463 H GLU 52 H GLU 52 21.404 7.256 34.837 464 HA GLU 52 HA GLU 52 20.023 5.352 33.148 465 HB2 GLU 52 2HB GLU 52 19.965 3.548 34.870 466 HB3 GLU 52 3HB GLU 52 21.583 3.836 34.250 467 HG2 GLU 52 2HG GLU 52 21.911 3.491 36.533 468 HG3 GLU 52 3HG GLU 52 21.979 5.237 36.359 469 H ASP 53 H ASP 53 18.048 4.477 34.900 470 HA ASP 53 HA ASP 53 17.157 6.749 36.510 471 HB2 ASP 53 2HB ASP 53 16.232 7.262 34.257 472 HB3 ASP 53 3HB ASP 53 15.414 5.702 34.236 473 H GLY 54 H GLY 54 17.662 5.191 38.130 474 HA2 GLY 54 2HA GLY 54 16.974 3.867 39.869 475 HA3 GLY 54 3HA GLY 54 15.343 4.262 39.373 476 H VAL 55 H VAL 55 17.536 2.487 37.285 477 HA VAL 55 HA VAL 55 15.456 0.496 36.944 478 HB VAL 55 HB VAL 55 16.368 1.495 34.931 479 HG11 VAL 55 1HG1 VAL 55 18.630 2.056 35.681 480 HG12 VAL 55 2HG1 VAL 55 18.675 1.160 34.161 481 HG13 VAL 55 3HG1 VAL 55 19.075 0.349 35.680 482 HG21 VAL 55 1HG2 VAL 55 17.157 -1.436 35.140 483 HG22 VAL 55 2HG2 VAL 55 16.904 -0.551 33.636 484 HG23 VAL 55 3HG2 VAL 55 15.557 -0.807 34.744 485 HA PRO 56 HA PRO 56 17.929 -2.523 39.306 486 HB2 PRO 56 2HB PRO 56 15.941 -4.119 40.078 487 HB3 PRO 56 3HB PRO 56 15.978 -2.450 40.678 488 HG2 PRO 56 2HG PRO 56 14.289 -3.633 38.505 489 HG3 PRO 56 3HG PRO 56 13.839 -2.463 39.769 490 HD2 PRO 56 2HD PRO 56 14.578 -1.804 37.125 491 HD3 PRO 56 3HD PRO 56 14.515 -0.679 38.498 492 H GLN 57 H GLN 57 17.614 -5.149 39.248 493 HA GLN 57 HA GLN 57 18.058 -6.044 36.518 494 HB2 GLN 57 2HB GLN 57 17.892 -7.657 39.085 495 HB3 GLN 57 3HB GLN 57 18.547 -8.225 37.561 496 HG2 GLN 57 2HG GLN 57 20.448 -6.811 37.712 497 HG3 GLN 57 3HG GLN 57 19.736 -5.850 39.017 498 HE21 GLN 57 1HE2 GLN 57 19.634 -6.779 41.112 499 HE22 GLN 57 2HE2 GLN 57 20.670 -8.078 41.575 500 HA PRO 58 HA PRO 58 13.574 -6.390 36.107 501 HB2 PRO 58 2HB PRO 58 13.495 -7.303 33.500 502 HB3 PRO 58 3HB PRO 58 13.858 -5.624 33.942 503 HG2 PRO 58 2HG PRO 58 15.767 -7.832 33.240 504 HG3 PRO 58 3HG PRO 58 15.762 -6.134 32.704 505 HD2 PRO 58 2HD PRO 58 17.397 -7.003 34.702 506 HD3 PRO 58 3HD PRO 58 16.703 -5.361 34.693 507 H GLU 59 H GLU 59 15.446 -9.178 34.828 508 HA GLU 59 HA GLU 59 13.182 -10.973 35.475 509 HB2 GLU 59 2HB GLU 59 13.673 -10.860 33.079 510 HB3 GLU 59 3HB GLU 59 15.363 -11.257 33.365 511 HG2 GLU 59 2HG GLU 59 14.698 -13.479 34.214 512 HG3 GLU 59 3HG GLU 59 13.005 -13.078 33.934 513 H ALA 60 H ALA 60 16.731 -11.403 35.030 514 HA ALA 60 HA ALA 60 16.698 -13.368 37.261 515 HB1 ALA 60 1HB ALA 60 18.623 -14.399 36.151 516 HB2 ALA 60 2HB ALA 60 18.608 -13.154 34.898 517 HB3 ALA 60 3HB ALA 60 17.261 -14.287 35.040 518 H LEU 61 H LEU 61 17.400 -12.476 39.072 519 HA LEU 61 HA LEU 61 19.406 -10.363 39.165 520 HB2 LEU 61 2HB LEU 61 17.801 -11.767 41.349 521 HB3 LEU 61 3HB LEU 61 19.038 -10.569 41.690 522 HG LEU 61 HG LEU 61 17.696 -8.859 40.439 523 HD11 LEU 61 1HD1 LEU 61 15.529 -10.967 40.299 524 HD12 LEU 61 2HD1 LEU 61 16.421 -10.284 38.938 525 HD13 LEU 61 3HD1 LEU 61 15.352 -9.258 39.888 526 HD21 LEU 61 1HD2 LEU 61 17.552 -9.010 42.877 527 HD22 LEU 61 2HD2 LEU 61 16.221 -10.162 42.746 528 HD23 LEU 61 3HD2 LEU 61 16.016 -8.502 42.180 529 H GLU 62 H GLU 62 18.948 -13.661 40.404 530 HA GLU 62 HA GLU 62 21.746 -14.332 40.130 531 HB2 GLU 62 2HB GLU 62 21.721 -13.155 42.320 532 HB3 GLU 62 3HB GLU 62 20.458 -14.236 42.900 533 HG2 GLU 62 2HG GLU 62 22.635 -14.854 43.822 534 HG3 GLU 62 3HG GLU 62 22.023 -16.137 42.785 535 H1 MET 1 1H MET 1 13.709 -3.783 25.724 536 H2 MET 1 2H MET 1 12.808 -3.281 27.059 537 H3 MET 1 3H MET 1 12.975 -2.257 25.726 538 HA MET 1 HA MET 1 11.760 -3.792 24.350 539 HB2 MET 1 2HB MET 1 11.431 -5.361 26.945 540 HB3 MET 1 3HB MET 1 10.517 -5.682 25.474 541 HG2 MET 1 2HG MET 1 13.510 -5.954 25.824 542 HG3 MET 1 3HG MET 1 12.336 -7.267 25.681 543 HE1 MET 1 1HE MET 1 15.047 -6.782 23.840 544 HE2 MET 1 2HE MET 1 14.414 -7.309 22.279 545 HE3 MET 1 3HE MET 1 14.028 -8.220 23.738 546 H GLU 2 H GLU 2 10.396 -2.150 24.027 547 HA GLU 2 HA GLU 2 8.578 -1.267 26.179 548 HB2 GLU 2 2HB GLU 2 9.194 0.117 23.531 549 HB3 GLU 2 3HB GLU 2 8.138 0.738 24.793 550 HG2 GLU 2 2HG GLU 2 10.168 1.938 25.003 551 HG3 GLU 2 3HG GLU 2 10.174 0.776 26.322 552 H GLU 3 H GLU 3 6.502 -1.793 26.058 553 HA GLU 3 HA GLU 3 5.519 -3.596 24.054 554 HB2 GLU 3 2HB GLU 3 4.953 -3.622 26.543 555 HB3 GLU 3 3HB GLU 3 3.949 -2.202 26.276 556 HG2 GLU 3 2HG GLU 3 2.472 -3.469 24.808 557 HG3 GLU 3 3HG GLU 3 3.520 -4.881 24.905 558 H LEU 4 H LEU 4 3.403 -3.170 22.859 559 HA LEU 4 HA LEU 4 3.546 -0.956 21.167 560 HB2 LEU 4 2HB LEU 4 1.162 -2.737 21.792 561 HB3 LEU 4 3HB LEU 4 1.188 -1.578 20.471 562 HG LEU 4 HG LEU 4 2.989 -4.024 20.723 563 HD11 LEU 4 1HD1 LEU 4 1.718 -4.934 18.842 564 HD12 LEU 4 2HD1 LEU 4 0.669 -3.516 18.835 565 HD13 LEU 4 3HD1 LEU 4 0.662 -4.613 20.217 566 HD21 LEU 4 1HD2 LEU 4 2.816 -2.003 18.462 567 HD22 LEU 4 2HD2 LEU 4 3.755 -3.499 18.449 568 HD23 LEU 4 3HD2 LEU 4 4.170 -2.214 19.579 569 H SER 5 H SER 5 3.279 1.105 21.672 570 HA SER 5 HA SER 5 1.132 2.158 23.276 571 HB2 SER 5 2HB SER 5 2.716 1.246 25.033 572 HB3 SER 5 3HB SER 5 3.979 2.309 24.410 573 HG SER 5 HG SER 5 1.809 2.874 26.019 574 H GLY 6 H GLY 6 2.106 4.668 23.872 575 HA2 GLY 6 2HA GLY 6 2.508 5.896 21.258 576 HA3 GLY 6 3HA GLY 6 2.237 6.710 22.791 577 H LYS 7 H LYS 7 4.762 4.371 21.898 578 HA LYS 7 HA LYS 7 6.880 6.263 22.698 579 HB2 LYS 7 2HB LYS 7 8.300 4.409 23.135 580 HB3 LYS 7 3HB LYS 7 6.742 3.874 23.729 581 HG2 LYS 7 2HG LYS 7 7.942 3.061 21.060 582 HG3 LYS 7 3HG LYS 7 8.045 2.109 22.539 583 HD2 LYS 7 2HD LYS 7 5.578 1.884 22.575 584 HD3 LYS 7 3HD LYS 7 5.469 2.858 21.105 585 HE2 LYS 7 2HE LYS 7 5.263 0.499 20.540 586 HE3 LYS 7 3HE LYS 7 6.789 1.108 19.894 587 HZ1 LYS 7 1HZ LYS 7 6.474 -0.438 22.412 588 HZ2 LYS 7 2HZ LYS 7 7.935 0.123 21.781 589 HZ3 LYS 7 3HZ LYS 7 7.049 -1.046 20.951 590 HA PRO 8 HA PRO 8 8.085 6.757 18.406 591 HB2 PRO 8 2HB PRO 8 10.793 7.150 18.552 592 HB3 PRO 8 3HB PRO 8 9.639 8.352 19.163 593 HG2 PRO 8 2HG PRO 8 11.146 6.260 20.702 594 HG3 PRO 8 3HG PRO 8 10.932 7.986 21.079 595 HD2 PRO 8 2HD PRO 8 9.415 6.082 22.262 596 HD3 PRO 8 3HD PRO 8 8.759 7.688 21.868 597 H LEU 9 H LEU 9 8.810 5.544 16.659 598 HA LEU 9 HA LEU 9 9.404 2.765 17.046 599 HB2 LEU 9 2HB LEU 9 9.608 2.836 14.430 600 HB3 LEU 9 3HB LEU 9 8.048 3.059 15.185 601 HG LEU 9 HG LEU 9 8.311 5.567 14.864 602 HD11 LEU 9 1HD1 LEU 9 10.676 4.822 13.128 603 HD12 LEU 9 2HD1 LEU 9 10.708 5.779 14.611 604 HD13 LEU 9 3HD1 LEU 9 9.893 6.405 13.182 605 HD21 LEU 9 1HD2 LEU 9 7.700 5.537 12.474 606 HD22 LEU 9 2HD2 LEU 9 6.890 4.263 13.380 607 HD23 LEU 9 3HD2 LEU 9 8.269 3.867 12.348 608 H SER 10 H SER 10 11.296 1.634 16.379 609 HA SER 10 HA SER 10 13.781 2.988 16.903 610 HB2 SER 10 2HB SER 10 13.291 0.130 15.951 611 HB3 SER 10 3HB SER 10 14.788 0.748 16.659 612 HG SER 10 HG SER 10 13.832 0.863 18.616 613 H TYR 11 H TYR 11 15.697 2.425 15.351 614 HA TYR 11 HA TYR 11 15.388 3.884 12.977 615 HB2 TYR 11 2HB TYR 11 17.579 3.639 14.127 616 HB3 TYR 11 3HB TYR 11 17.616 1.926 13.711 617 HD1 TYR 11 HD1 TYR 11 17.717 5.368 12.256 618 HD2 TYR 11 HD2 TYR 11 18.411 1.212 11.534 619 HE1 TYR 11 HE1 TYR 11 18.792 5.914 10.120 620 HE2 TYR 11 HE2 TYR 11 19.478 1.767 9.388 621 HH TYR 11 HH TYR 11 19.436 3.617 7.744 622 H ALA 12 H ALA 12 15.846 0.367 13.434 623 HA ALA 12 HA ALA 12 15.627 -0.447 10.750 624 HB1 ALA 12 1HB ALA 12 16.592 -1.874 12.504 625 HB2 ALA 12 2HB ALA 12 15.285 -2.717 11.670 626 HB3 ALA 12 3HB ALA 12 15.014 -2.025 13.274 627 H GLU 13 H GLU 13 13.183 0.128 13.235 628 HA GLU 13 HA GLU 13 10.939 -0.959 11.884 629 HB2 GLU 13 2HB GLU 13 11.031 1.242 13.993 630 HB3 GLU 13 3HB GLU 13 9.566 0.430 13.449 631 HG2 GLU 13 2HG GLU 13 11.879 -0.800 14.952 632 HG3 GLU 13 3HG GLU 13 10.239 -0.528 15.543 633 H LYS 14 H LYS 14 12.329 2.300 12.013 634 HA LYS 14 HA LYS 14 10.442 3.620 10.377 635 HB2 LYS 14 2HB LYS 14 11.997 4.800 11.878 636 HB3 LYS 14 3HB LYS 14 13.375 4.263 10.938 637 HG2 LYS 14 2HG LYS 14 11.265 5.903 9.541 638 HG3 LYS 14 3HG LYS 14 12.344 6.721 10.662 639 HD2 LYS 14 2HD LYS 14 13.292 5.033 8.308 640 HD3 LYS 14 3HD LYS 14 13.104 6.791 8.267 641 HE2 LYS 14 2HE LYS 14 14.756 6.939 10.170 642 HE3 LYS 14 3HE LYS 14 15.018 5.198 10.002 643 HZ1 LYS 14 1HZ LYS 14 15.570 7.297 7.977 644 HZ2 LYS 14 2HZ LYS 14 15.646 5.653 7.652 645 HZ3 LYS 14 3HZ LYS 14 16.704 6.330 8.777 646 H GLU 15 H GLU 15 13.387 1.797 9.633 647 HA GLU 15 HA GLU 15 13.629 2.510 6.885 648 HB2 GLU 15 2HB GLU 15 14.697 0.099 8.399 649 HB3 GLU 15 3HB GLU 15 15.181 0.551 6.772 650 HG2 GLU 15 2HG GLU 15 15.532 2.342 9.164 651 HG3 GLU 15 3HG GLU 15 16.750 1.203 8.625 652 H LYS 16 H LYS 16 12.328 -0.419 8.485 653 HA LYS 16 HA LYS 16 11.367 -1.651 6.118 654 HB2 LYS 16 2HB LYS 16 10.137 -3.202 7.495 655 HB3 LYS 16 3HB LYS 16 11.697 -2.903 8.245 656 HG2 LYS 16 2HG LYS 16 10.577 -1.315 9.833 657 HG3 LYS 16 3HG LYS 16 9.026 -1.762 9.117 658 HD2 LYS 16 2HD LYS 16 9.398 -3.000 11.206 659 HD3 LYS 16 3HD LYS 16 9.377 -4.117 9.839 660 HE2 LYS 16 2HE LYS 16 11.809 -4.260 9.870 661 HE3 LYS 16 3HE LYS 16 11.896 -3.022 11.130 662 HZ1 LYS 16 1HZ LYS 16 10.799 -4.488 12.662 663 HZ2 LYS 16 2HZ LYS 16 12.129 -5.284 11.996 664 HZ3 LYS 16 3HZ LYS 16 10.577 -5.667 11.467 665 H LEU 17 H LEU 17 10.070 0.854 8.142 666 HA LEU 17 HA LEU 17 7.361 0.681 7.230 667 HB2 LEU 17 2HB LEU 17 8.455 1.803 9.418 668 HB3 LEU 17 3HB LEU 17 8.456 3.235 8.414 669 HG LEU 17 HG LEU 17 6.466 3.104 9.899 670 HD11 LEU 17 1HD1 LEU 17 6.233 4.332 7.785 671 HD12 LEU 17 2HD1 LEU 17 4.715 3.580 8.258 672 HD13 LEU 17 3HD1 LEU 17 5.694 2.862 6.969 673 HD21 LEU 17 1HD2 LEU 17 6.299 0.632 9.976 674 HD22 LEU 17 2HD2 LEU 17 5.691 0.624 8.315 675 HD23 LEU 17 3HD2 LEU 17 4.756 1.397 9.599 676 H LYS 18 H LYS 18 10.134 2.821 6.399 677 HA LYS 18 HA LYS 18 8.613 4.435 4.587 678 HB2 LYS 18 2HB LYS 18 10.743 5.492 3.958 679 HB3 LYS 18 3HB LYS 18 10.584 5.368 5.699 680 HG2 LYS 18 2HG LYS 18 12.800 4.791 5.446 681 HG3 LYS 18 3HG LYS 18 12.055 3.196 5.388 682 HD2 LYS 18 2HD LYS 18 12.140 3.299 2.881 683 HD3 LYS 18 3HD LYS 18 12.965 4.852 3.000 684 HE2 LYS 18 2HE LYS 18 14.020 2.231 4.114 685 HE3 LYS 18 3HE LYS 18 14.524 2.966 2.593 686 HZ1 LYS 18 1HZ LYS 18 16.070 3.450 4.381 687 HZ2 LYS 18 2HZ LYS 18 14.843 4.192 5.273 688 HZ3 LYS 18 3HZ LYS 18 15.348 4.866 3.810 689 H GLU 19 H GLU 19 10.679 1.566 4.188 690 HA GLU 19 HA GLU 19 10.577 1.512 1.325 691 HB2 GLU 19 2HB GLU 19 11.525 -0.695 1.430 692 HB3 GLU 19 3HB GLU 19 12.296 0.251 2.696 693 HG2 GLU 19 2HG GLU 19 10.817 -0.800 4.369 694 HG3 GLU 19 3HG GLU 19 10.065 -1.747 3.098 695 H LYS 20 H LYS 20 8.573 0.176 3.951 696 HA LYS 20 HA LYS 20 6.706 -1.288 2.498 697 HB2 LYS 20 2HB LYS 20 6.360 -1.569 4.758 698 HB3 LYS 20 3HB LYS 20 6.709 0.109 5.145 699 HG2 LYS 20 2HG LYS 20 4.481 0.808 4.589 700 HG3 LYS 20 3HG LYS 20 4.106 -0.749 3.837 701 HD2 LYS 20 2HD LYS 20 4.677 -0.349 6.798 702 HD3 LYS 20 3HD LYS 20 3.065 -0.464 6.090 703 HE2 LYS 20 2HE LYS 20 3.805 -2.758 5.184 704 HE3 LYS 20 3HE LYS 20 5.180 -2.622 6.275 705 HZ1 LYS 20 1HZ LYS 20 3.379 -3.871 7.278 706 HZ2 LYS 20 2HZ LYS 20 2.321 -2.568 7.079 707 HZ3 LYS 20 3HZ LYS 20 3.638 -2.433 8.131 708 H LEU 21 H LEU 21 6.660 2.187 3.293 709 HA LEU 21 HA LEU 21 4.202 2.888 2.164 710 HB2 LEU 21 2HB LEU 21 6.708 4.606 2.403 711 HB3 LEU 21 3HB LEU 21 5.079 5.221 2.153 712 HG LEU 21 HG LEU 21 5.978 3.695 4.623 713 HD11 LEU 21 1HD1 LEU 21 5.918 5.825 5.814 714 HD12 LEU 21 2HD1 LEU 21 5.582 6.676 4.304 715 HD13 LEU 21 3HD1 LEU 21 7.118 5.836 4.524 716 HD21 LEU 21 1HD2 LEU 21 3.596 3.415 4.186 717 HD22 LEU 21 2HD2 LEU 21 3.385 5.166 4.092 718 HD23 LEU 21 3HD2 LEU 21 3.863 4.412 5.616 719 H ALA 22 H ALA 22 7.470 3.009 0.733 720 HA ALA 22 HA ALA 22 6.713 3.979 -1.842 721 HB1 ALA 22 1HB ALA 22 9.015 3.367 -2.501 722 HB2 ALA 22 2HB ALA 22 9.211 2.446 -1.005 723 HB3 ALA 22 3HB ALA 22 9.001 4.197 -0.947 724 H PHE 23 H PHE 23 7.140 0.737 -0.523 725 HA PHE 23 HA PHE 23 7.161 -0.731 -2.954 726 HB2 PHE 23 2HB PHE 23 8.080 -1.611 -0.829 727 HB3 PHE 23 3HB PHE 23 6.476 -1.623 -0.115 728 HD1 PHE 23 HD1 PHE 23 8.639 -3.224 -2.680 729 HD2 PHE 23 HD2 PHE 23 4.977 -3.466 -0.496 730 HE1 PHE 23 HE1 PHE 23 8.316 -5.533 -3.471 731 HE2 PHE 23 HE2 PHE 23 4.655 -5.756 -1.290 732 HZ PHE 23 HZ PHE 23 6.321 -6.805 -2.780 733 H LEU 24 H LEU 24 4.612 -0.319 -0.483 734 HA LEU 24 HA LEU 24 2.586 -1.581 -1.972 735 HB2 LEU 24 2HB LEU 24 1.000 -0.780 -0.313 736 HB3 LEU 24 3HB LEU 24 2.422 -1.458 0.439 737 HG LEU 24 HG LEU 24 3.198 1.001 0.783 738 HD11 LEU 24 1HD1 LEU 24 1.620 2.154 -0.661 739 HD12 LEU 24 2HD1 LEU 24 1.419 2.683 1.004 740 HD13 LEU 24 3HD1 LEU 24 0.261 1.559 0.291 741 HD21 LEU 24 1HD2 LEU 24 0.823 -0.044 2.360 742 HD22 LEU 24 2HD2 LEU 24 1.944 1.214 2.892 743 HD23 LEU 24 3HD2 LEU 24 2.524 -0.428 2.641 744 H LYS 25 H LYS 25 3.730 1.735 -1.884 745 HA LYS 25 HA LYS 25 1.591 3.028 -3.189 746 HB2 LYS 25 2HB LYS 25 3.318 4.283 -2.051 747 HB3 LYS 25 3HB LYS 25 4.575 3.648 -3.106 748 HG2 LYS 25 2HG LYS 25 3.708 4.929 -4.989 749 HG3 LYS 25 3HG LYS 25 2.322 5.472 -4.039 750 HD2 LYS 25 2HD LYS 25 5.235 6.145 -3.469 751 HD3 LYS 25 3HD LYS 25 4.053 7.231 -4.201 752 HE2 LYS 25 2HE LYS 25 2.693 7.125 -2.132 753 HE3 LYS 25 3HE LYS 25 3.906 6.070 -1.402 754 HZ1 LYS 25 1HZ LYS 25 4.179 8.360 -0.697 755 HZ2 LYS 25 2HZ LYS 25 4.355 8.865 -2.298 756 HZ3 LYS 25 3HZ LYS 25 5.524 7.864 -1.599 757 H LYS 26 H LYS 26 4.611 1.654 -4.588 758 HA LYS 26 HA LYS 26 3.960 2.456 -7.258 759 HB2 LYS 26 2HB LYS 26 5.925 1.141 -7.972 760 HB3 LYS 26 3HB LYS 26 6.292 2.229 -6.644 761 HG2 LYS 26 2HG LYS 26 6.120 0.247 -5.077 762 HG3 LYS 26 3HG LYS 26 5.982 -0.787 -6.506 763 HD2 LYS 26 2HD LYS 26 8.194 0.001 -7.309 764 HD3 LYS 26 3HD LYS 26 8.326 1.073 -5.909 765 HE2 LYS 26 2HE LYS 26 9.659 -0.887 -5.491 766 HE3 LYS 26 3HE LYS 26 8.253 -0.966 -4.428 767 HZ1 LYS 26 1HZ LYS 26 8.638 -3.101 -5.396 768 HZ2 LYS 26 2HZ LYS 26 8.666 -2.464 -6.959 769 HZ3 LYS 26 3HZ LYS 26 7.224 -2.474 -6.081 770 H GLU 27 H GLU 27 3.665 -0.614 -5.453 771 HA GLU 27 HA GLU 27 2.677 -2.121 -7.652 772 HB2 GLU 27 2HB GLU 27 1.978 -3.827 -6.127 773 HB3 GLU 27 3HB GLU 27 3.510 -3.204 -5.544 774 HG2 GLU 27 2HG GLU 27 2.364 -1.933 -3.808 775 HG3 GLU 27 3HG GLU 27 0.798 -2.453 -4.420 776 H TYR 28 H TYR 28 1.078 -0.136 -5.140 777 HA TYR 28 HA TYR 28 -1.599 -0.708 -5.612 778 HB2 TYR 28 2HB TYR 28 -1.023 0.648 -3.704 779 HB3 TYR 28 3HB TYR 28 -0.249 1.872 -4.698 780 HD1 TYR 28 HD1 TYR 28 -3.569 0.467 -3.695 781 HD2 TYR 28 HD2 TYR 28 -1.533 3.716 -5.582 782 HE1 TYR 28 HE1 TYR 28 -5.649 1.770 -3.700 783 HE2 TYR 28 HE2 TYR 28 -3.615 5.017 -5.587 784 HH TYR 28 HH TYR 28 -6.025 4.630 -5.504 785 H SER 29 H SER 29 0.414 1.809 -7.115 786 HA SER 29 HA SER 29 -1.630 2.965 -8.671 787 HB2 SER 29 2HB SER 29 0.522 4.093 -8.092 788 HB3 SER 29 3HB SER 29 1.378 3.009 -9.194 789 HG SER 29 HG SER 29 -0.558 4.990 -9.793 790 H ARG 30 H ARG 30 0.883 0.540 -9.509 791 HA ARG 30 HA ARG 30 0.075 0.316 -12.266 792 HB2 ARG 30 2HB ARG 30 1.900 -1.400 -10.543 793 HB3 ARG 30 3HB ARG 30 1.652 -1.670 -12.266 794 HG2 ARG 30 2HG ARG 30 2.492 0.664 -12.695 795 HG3 ARG 30 3HG ARG 30 2.898 0.782 -10.979 796 HD2 ARG 30 2HD ARG 30 4.859 0.169 -12.313 797 HD3 ARG 30 3HD ARG 30 4.431 -1.142 -11.209 798 HE ARG 30 HE ARG 30 3.153 -1.667 -13.625 799 HH11 ARG 30 1HH1 ARG 30 6.496 -1.389 -12.515 800 HH12 ARG 30 2HH1 ARG 30 7.108 -2.496 -13.711 801 HH21 ARG 30 1HH2 ARG 30 3.965 -3.127 -15.159 802 HH22 ARG 30 2HH2 ARG 30 5.667 -3.479 -15.205 803 H THR 31 H THR 31 -0.635 -1.565 -9.367 804 HA THR 31 HA THR 31 -1.805 -3.769 -10.787 805 HB THR 31 HB THR 31 -0.528 -3.963 -8.561 806 HG1 THR 31 HG1 THR 31 -1.841 -5.753 -7.978 807 HG21 THR 31 1HG2 THR 31 -1.849 -3.856 -6.490 808 HG22 THR 31 2HG2 THR 31 -3.242 -3.246 -7.380 809 HG23 THR 31 3HG2 THR 31 -1.787 -2.265 -7.245 810 H LEU 32 H LEU 32 -3.000 -0.961 -8.985 811 HA LEU 32 HA LEU 32 -5.777 -1.527 -9.244 812 HB2 LEU 32 2HB LEU 32 -4.822 0.205 -7.703 813 HB3 LEU 32 3HB LEU 32 -4.430 1.213 -9.077 814 HG LEU 32 HG LEU 32 -7.324 0.414 -8.667 815 HD11 LEU 32 1HD1 LEU 32 -6.645 1.143 -6.433 816 HD12 LEU 32 2HD1 LEU 32 -7.748 2.299 -7.170 817 HD13 LEU 32 3HD1 LEU 32 -6.019 2.653 -7.096 818 HD21 LEU 32 1HD2 LEU 32 -6.742 1.683 -10.682 819 HD22 LEU 32 2HD2 LEU 32 -6.078 2.978 -9.688 820 HD23 LEU 32 3HD2 LEU 32 -7.805 2.614 -9.627 821 H ALA 33 H ALA 33 -3.386 0.183 -11.255 822 HA ALA 33 HA ALA 33 -4.979 1.138 -13.312 823 HB1 ALA 33 1HB ALA 33 -2.162 0.032 -13.554 824 HB2 ALA 33 2HB ALA 33 -2.590 1.674 -13.067 825 HB3 ALA 33 3HB ALA 33 -2.959 1.121 -14.699 826 H ARG 34 H ARG 34 -3.333 -2.033 -13.152 827 HA ARG 34 HA ARG 34 -4.313 -2.964 -15.663 828 HB2 ARG 34 2HB ARG 34 -3.267 -5.093 -15.118 829 HB3 ARG 34 3HB ARG 34 -2.188 -3.766 -14.706 830 HG2 ARG 34 2HG ARG 34 -2.972 -4.009 -12.308 831 HG3 ARG 34 3HG ARG 34 -3.807 -5.478 -12.806 832 HD2 ARG 34 2HD ARG 34 -0.820 -4.969 -12.990 833 HD3 ARG 34 3HD ARG 34 -1.638 -5.999 -11.806 834 HE ARG 34 HE ARG 34 -1.919 -6.607 -14.670 835 HH11 ARG 34 1HH1 ARG 34 -0.606 -7.535 -11.545 836 HH12 ARG 34 2HH1 ARG 34 -0.231 -9.153 -12.053 837 HH21 ARG 34 1HH2 ARG 34 -1.454 -8.706 -15.314 838 HH22 ARG 34 2HH2 ARG 34 -0.716 -9.816 -14.199 839 H LEU 35 H LEU 35 -5.452 -3.330 -12.326 840 HA LEU 35 HA LEU 35 -7.517 -5.210 -12.751 841 HB2 LEU 35 2HB LEU 35 -6.654 -4.262 -10.512 842 HB3 LEU 35 3HB LEU 35 -7.676 -2.869 -10.791 843 HG LEU 35 HG LEU 35 -8.775 -5.716 -10.570 844 HD11 LEU 35 1HD1 LEU 35 -9.423 -5.214 -8.261 845 HD12 LEU 35 2HD1 LEU 35 -8.578 -3.665 -8.344 846 HD13 LEU 35 3HD1 LEU 35 -7.676 -5.174 -8.470 847 HD21 LEU 35 1HD2 LEU 35 -10.325 -4.181 -11.673 848 HD22 LEU 35 2HD2 LEU 35 -10.212 -3.055 -10.321 849 HD23 LEU 35 3HD2 LEU 35 -10.935 -4.649 -10.086 850 H GLN 36 H GLN 36 -7.481 -1.634 -13.016 851 HA GLN 36 HA GLN 36 -10.198 -1.336 -13.795 852 HB2 GLN 36 2HB GLN 36 -7.907 0.601 -14.339 853 HB3 GLN 36 3HB GLN 36 -9.625 0.979 -14.446 854 HG2 GLN 36 2HG GLN 36 -8.047 0.328 -11.951 855 HG3 GLN 36 3HG GLN 36 -8.732 1.883 -12.393 856 HE21 GLN 36 1HE2 GLN 36 -9.106 0.191 -9.986 857 HE22 GLN 36 2HE2 GLN 36 -10.812 -0.052 -9.853 858 H ARG 37 H ARG 37 -7.202 -1.839 -15.606 859 HA ARG 37 HA ARG 37 -8.228 -1.297 -18.206 860 HB2 ARG 37 2HB ARG 37 -5.824 -2.969 -17.329 861 HB3 ARG 37 3HB ARG 37 -6.195 -2.600 -19.011 862 HG2 ARG 37 2HG ARG 37 -5.529 -0.575 -16.853 863 HG3 ARG 37 3HG ARG 37 -4.451 -1.111 -18.136 864 HD2 ARG 37 2HD ARG 37 -5.943 -0.121 -19.819 865 HD3 ARG 37 3HD ARG 37 -7.063 0.378 -18.549 866 HE ARG 37 HE ARG 37 -4.595 1.483 -17.924 867 HH11 ARG 37 1HH1 ARG 37 -6.979 1.781 -20.508 868 HH12 ARG 37 2HH1 ARG 37 -6.558 3.432 -20.854 869 HH21 ARG 37 1HH2 ARG 37 -4.048 3.629 -18.405 870 HH22 ARG 37 2HH2 ARG 37 -4.898 4.471 -19.661 871 H ALA 38 H ALA 38 -8.012 -4.229 -16.237 872 HA ALA 38 HA ALA 38 -8.807 -6.104 -18.229 873 HB1 ALA 38 1HB ALA 38 -9.011 -6.349 -15.196 874 HB2 ALA 38 2HB ALA 38 -7.595 -6.760 -16.164 875 HB3 ALA 38 3HB ALA 38 -9.084 -7.676 -16.364 876 H LYS 39 H LYS 39 -10.611 -4.404 -15.669 877 HA LYS 39 HA LYS 39 -13.111 -5.685 -16.299 878 HB2 LYS 39 2HB LYS 39 -14.078 -4.283 -14.559 879 HB3 LYS 39 3HB LYS 39 -12.557 -4.964 -14.004 880 HG2 LYS 39 2HG LYS 39 -11.458 -2.760 -14.553 881 HG3 LYS 39 3HG LYS 39 -13.061 -2.103 -14.873 882 HD2 LYS 39 2HD LYS 39 -12.079 -3.226 -12.219 883 HD3 LYS 39 3HD LYS 39 -12.310 -1.524 -12.607 884 HE2 LYS 39 2HE LYS 39 -14.506 -3.610 -12.480 885 HE3 LYS 39 3HE LYS 39 -14.155 -2.404 -11.244 886 HZ1 LYS 39 1HZ LYS 39 -15.985 -1.719 -12.635 887 HZ2 LYS 39 2HZ LYS 39 -15.025 -1.828 -14.021 888 HZ3 LYS 39 3HZ LYS 39 -14.673 -0.673 -12.842 889 H ARG 40 H ARG 40 -11.579 -2.637 -17.249 890 HA ARG 40 HA ARG 40 -13.953 -1.614 -18.568 891 HB2 ARG 40 2HB ARG 40 -11.102 -0.616 -18.364 892 HB3 ARG 40 3HB ARG 40 -12.196 0.095 -19.540 893 HG2 ARG 40 2HG ARG 40 -12.978 -0.069 -16.621 894 HG3 ARG 40 3HG ARG 40 -11.943 1.227 -17.218 895 HD2 ARG 40 2HD ARG 40 -14.385 1.816 -17.088 896 HD3 ARG 40 3HD ARG 40 -13.652 2.060 -18.671 897 HE ARG 40 HE ARG 40 -14.760 -0.012 -19.393 898 HH11 ARG 40 1HH1 ARG 40 -16.128 1.621 -16.564 899 HH12 ARG 40 2HH1 ARG 40 -17.691 0.904 -16.791 900 HH21 ARG 40 1HH2 ARG 40 -16.796 -0.929 -19.624 901 HH22 ARG 40 2HH2 ARG 40 -18.062 -0.528 -18.510 902 H ALA 41 H ALA 41 -11.188 -3.565 -19.507 903 HA ALA 41 HA ALA 41 -11.437 -3.322 -22.341 904 HB1 ALA 41 1HB ALA 41 -10.105 -5.398 -22.448 905 HB2 ALA 41 2HB ALA 41 -10.325 -5.647 -20.712 906 HB3 ALA 41 3HB ALA 41 -9.415 -4.254 -21.300 907 H GLU 42 H GLU 42 -12.722 -5.636 -19.966 908 HA GLU 42 HA GLU 42 -14.756 -6.531 -19.712 909 HB2 GLU 42 2HB GLU 42 -15.524 -4.902 -22.159 910 HB3 GLU 42 3HB GLU 42 -16.666 -5.913 -21.278 911 HG2 GLU 42 2HG GLU 42 -16.297 -4.607 -19.235 912 HG3 GLU 42 3HG GLU 42 -15.115 -3.609 -20.077 913 H LYS 43 H LYS 43 -13.115 -7.162 -22.735 914 HA LYS 43 HA LYS 43 -14.705 -9.141 -23.881 915 HB2 LYS 43 2HB LYS 43 -12.795 -9.858 -25.140 916 HB3 LYS 43 3HB LYS 43 -12.594 -8.133 -24.898 917 HG2 LYS 43 2HG LYS 43 -11.181 -10.265 -23.266 918 HG3 LYS 43 3HG LYS 43 -10.486 -9.461 -24.671 919 HD2 LYS 43 2HD LYS 43 -10.521 -7.308 -23.521 920 HD3 LYS 43 3HD LYS 43 -11.383 -8.015 -22.152 921 HE2 LYS 43 2HE LYS 43 -9.013 -7.722 -21.611 922 HE3 LYS 43 3HE LYS 43 -9.419 -9.440 -21.657 923 HZ1 LYS 43 1HZ LYS 43 -7.301 -8.875 -22.760 924 HZ2 LYS 43 2HZ LYS 43 -8.149 -7.960 -23.905 925 HZ3 LYS 43 3HZ LYS 43 -8.399 -9.632 -23.800 926 H ALA 44 H ALA 44 -12.760 -9.289 -21.026 927 HA ALA 44 HA ALA 44 -12.338 -12.005 -20.606 928 HB1 ALA 44 1HB ALA 44 -11.339 -10.239 -19.235 929 HB2 ALA 44 2HB ALA 44 -12.171 -11.424 -18.226 930 HB3 ALA 44 3HB ALA 44 -12.919 -9.856 -18.550 931 H LYS 45 H LYS 45 -15.331 -10.249 -20.476 932 HA LYS 45 HA LYS 45 -16.838 -11.458 -18.521 933 HB2 LYS 45 2HB LYS 45 -18.852 -10.815 -19.829 934 HB3 LYS 45 3HB LYS 45 -17.671 -9.520 -19.745 935 HG2 LYS 45 2HG LYS 45 -16.943 -10.010 -22.050 936 HG3 LYS 45 3HG LYS 45 -18.113 -11.330 -22.142 937 HD2 LYS 45 2HD LYS 45 -19.003 -9.364 -23.273 938 HD3 LYS 45 3HD LYS 45 -19.963 -9.691 -21.831 939 HE2 LYS 45 2HE LYS 45 -18.682 -7.912 -20.635 940 HE3 LYS 45 3HE LYS 45 -17.826 -7.557 -22.137 941 HZ1 LYS 45 1HZ LYS 45 -19.656 -6.037 -21.803 942 HZ2 LYS 45 2HZ LYS 45 -20.759 -7.313 -21.693 943 HZ3 LYS 45 3HZ LYS 45 -19.970 -7.001 -23.155 944 H ASN 46 H ASN 46 -16.422 -12.444 -21.849 945 HA ASN 46 HA ASN 46 -16.124 -15.045 -21.911 946 HB2 ASN 46 2HB ASN 46 -18.224 -15.377 -20.569 947 HB3 ASN 46 3HB ASN 46 -19.170 -14.668 -21.875 948 HD21 ASN 46 1HD2 ASN 46 -16.437 -16.941 -22.202 949 HD22 ASN 46 2HD2 ASN 46 -17.370 -18.214 -22.896 950 H SER 47 H SER 47 -15.210 -13.454 -23.541 951 HA SER 47 HA SER 47 -16.561 -12.647 -25.860 952 HB2 SER 47 2HB SER 47 -14.266 -12.726 -26.925 953 HB3 SER 47 3HB SER 47 -14.315 -11.859 -25.390 954 HG SER 47 HG SER 47 -13.614 -14.603 -25.532 955 H LYS 48 H LYS 48 -17.205 -13.752 -27.713 956 HA LYS 48 HA LYS 48 -17.514 -16.562 -27.550 957 HB2 LYS 48 2HB LYS 48 -18.505 -16.401 -29.858 958 HB3 LYS 48 3HB LYS 48 -19.244 -15.373 -28.652 959 HG2 LYS 48 2HG LYS 48 -19.221 -14.020 -30.544 960 HG3 LYS 48 3HG LYS 48 -17.813 -13.454 -29.648 961 HD2 LYS 48 2HD LYS 48 -17.448 -13.667 -32.121 962 HD3 LYS 48 3HD LYS 48 -16.309 -14.607 -31.154 963 HE2 LYS 48 2HE LYS 48 -17.093 -15.844 -33.146 964 HE3 LYS 48 3HE LYS 48 -17.563 -16.664 -31.661 965 HZ1 LYS 48 1HZ LYS 48 -19.340 -16.612 -33.310 966 HZ2 LYS 48 2HZ LYS 48 -19.336 -14.919 -33.284 967 HZ3 LYS 48 3HZ LYS 48 -19.780 -15.784 -31.903 968 H LYS 49 H LYS 49 -16.331 -18.184 -28.330 969 HA LYS 49 HA LYS 49 -14.023 -17.864 -30.051 970 HB2 LYS 49 2HB LYS 49 -13.246 -16.962 -27.833 971 HB3 LYS 49 3HB LYS 49 -13.705 -18.475 -27.064 972 HG2 LYS 49 2HG LYS 49 -11.320 -18.455 -27.346 973 HG3 LYS 49 3HG LYS 49 -12.000 -19.654 -28.448 974 HD2 LYS 49 2HD LYS 49 -10.217 -18.378 -29.549 975 HD3 LYS 49 3HD LYS 49 -11.769 -18.048 -30.323 976 HE2 LYS 49 2HE LYS 49 -11.932 -15.901 -29.183 977 HE3 LYS 49 3HE LYS 49 -10.482 -16.251 -28.235 978 HZ1 LYS 49 1HZ LYS 49 -10.029 -14.777 -30.109 979 HZ2 LYS 49 2HZ LYS 49 -10.545 -15.960 -31.194 980 HZ3 LYS 49 3HZ LYS 49 -9.175 -16.225 -30.244 981 H ALA 50 H ALA 50 -13.148 -19.909 -30.663 982 HA ALA 50 HA ALA 50 -14.767 -22.242 -30.397 983 HB1 ALA 50 1HB ALA 50 -12.906 -23.411 -31.532 984 HB2 ALA 50 2HB ALA 50 -11.881 -21.988 -31.331 985 HB3 ALA 50 3HB ALA 50 -13.311 -21.908 -32.362 986 H ILE 51 H ILE 51 -15.055 -23.005 -28.388 987 HA ILE 51 HA ILE 51 -13.278 -22.571 -26.217 988 HB ILE 51 HB ILE 51 -14.882 -24.134 -24.916 989 HG12 ILE 51 2HG1 ILE 51 -17.189 -24.380 -26.100 990 HG13 ILE 51 3HG1 ILE 51 -16.333 -24.115 -27.610 991 HG21 ILE 51 1HG2 ILE 51 -15.042 -21.681 -24.849 992 HG22 ILE 51 2HG2 ILE 51 -16.650 -22.402 -24.834 993 HG23 ILE 51 3HG2 ILE 51 -16.027 -21.678 -26.318 994 HD11 ILE 51 1HD1 ILE 51 -16.792 -26.474 -27.187 995 HD12 ILE 51 2HD1 ILE 51 -15.856 -26.405 -25.694 996 HD13 ILE 51 3HD1 ILE 51 -15.058 -26.165 -27.251 997 H GLU 52 H GLU 52 -13.489 -25.155 -28.462 998 HA GLU 52 HA GLU 52 -11.471 -26.732 -26.995 999 HB2 GLU 52 2HB GLU 52 -12.058 -28.570 -28.605 1000 HB3 GLU 52 3HB GLU 52 -13.394 -28.091 -27.567 1001 HG2 GLU 52 2HG GLU 52 -14.350 -26.763 -29.436 1002 HG3 GLU 52 3HG GLU 52 -13.033 -27.304 -30.476 1003 H ASP 53 H ASP 53 -9.433 -26.698 -27.706 1004 HA ASP 53 HA ASP 53 -8.741 -25.168 -30.148 1005 HB2 ASP 53 2HB ASP 53 -7.214 -25.841 -27.602 1006 HB3 ASP 53 3HB ASP 53 -6.401 -25.175 -29.013 1007 H GLY 54 H GLY 54 -9.347 -28.282 -29.711 1008 HA2 GLY 54 2HA GLY 54 -8.579 -30.257 -30.661 1009 HA3 GLY 54 3HA GLY 54 -7.284 -29.358 -31.445 1010 H VAL 55 H VAL 55 -7.653 -28.877 -28.088 1011 HA VAL 55 HA VAL 55 -5.014 -29.778 -27.499 1012 HB VAL 55 HB VAL 55 -5.895 -27.771 -26.414 1013 HG11 VAL 55 1HG1 VAL 55 -7.957 -29.515 -25.033 1014 HG12 VAL 55 2HG1 VAL 55 -8.271 -28.341 -26.311 1015 HG13 VAL 55 3HG1 VAL 55 -7.686 -27.794 -24.740 1016 HG21 VAL 55 1HG2 VAL 55 -5.287 -28.217 -24.057 1017 HG22 VAL 55 2HG2 VAL 55 -4.170 -29.004 -25.173 1018 HG23 VAL 55 3HG2 VAL 55 -5.408 -29.956 -24.348 1019 HA PRO 56 HA PRO 56 -6.197 -34.058 -26.327 1020 HB2 PRO 56 2HB PRO 56 -3.801 -34.781 -25.150 1021 HB3 PRO 56 3HB PRO 56 -4.020 -34.711 -26.908 1022 HG2 PRO 56 2HG PRO 56 -2.828 -32.640 -25.085 1023 HG3 PRO 56 3HG PRO 56 -2.205 -33.262 -26.633 1024 HD2 PRO 56 2HD PRO 56 -3.510 -30.918 -26.529 1025 HD3 PRO 56 3HD PRO 56 -3.744 -32.025 -27.902 1026 H GLN 57 H GLN 57 -5.763 -35.397 -24.170 1027 HA GLN 57 HA GLN 57 -6.985 -34.135 -21.963 1028 HB2 GLN 57 2HB GLN 57 -5.477 -36.761 -22.254 1029 HB3 GLN 57 3HB GLN 57 -6.067 -36.230 -20.683 1030 HG2 GLN 57 2HG GLN 57 -7.635 -37.802 -21.652 1031 HG3 GLN 57 3HG GLN 57 -8.380 -36.210 -21.565 1032 HE21 GLN 57 1HE2 GLN 57 -8.789 -35.094 -23.525 1033 HE22 GLN 57 2HE2 GLN 57 -8.832 -35.918 -25.036 1034 HA PRO 58 HA PRO 58 -3.823 -31.519 -20.415 1035 HB2 PRO 58 2HB PRO 58 -4.256 -31.677 -17.635 1036 HB3 PRO 58 3HB PRO 58 -5.180 -30.683 -18.764 1037 HG2 PRO 58 2HG PRO 58 -5.875 -33.365 -17.659 1038 HG3 PRO 58 3HG PRO 58 -6.922 -31.952 -17.928 1039 HD2 PRO 58 2HD PRO 58 -6.962 -34.017 -19.632 1040 HD3 PRO 58 3HD PRO 58 -7.096 -32.349 -20.232 1041 H GLU 59 H GLU 59 -3.993 -34.622 -18.732 1042 HA GLU 59 HA GLU 59 -1.090 -34.960 -19.074 1043 HB2 GLU 59 2HB GLU 59 -1.411 -34.057 -16.773 1044 HB3 GLU 59 3HB GLU 59 -2.478 -35.404 -16.393 1045 HG2 GLU 59 2HG GLU 59 -0.250 -35.756 -15.442 1046 HG3 GLU 59 3HG GLU 59 -0.595 -36.978 -16.669 1047 H ALA 60 H ALA 60 -4.278 -36.348 -18.679 1048 HA ALA 60 HA ALA 60 -3.501 -39.067 -18.302 1049 HB1 ALA 60 1HB ALA 60 -5.655 -38.170 -17.489 1050 HB2 ALA 60 2HB ALA 60 -5.886 -39.576 -18.527 1051 HB3 ALA 60 3HB ALA 60 -6.200 -37.956 -19.155 1052 H LEU 61 H LEU 61 -1.995 -39.363 -20.019 1053 HA LEU 61 HA LEU 61 -3.195 -40.306 -22.522 1054 HB2 LEU 61 2HB LEU 61 -2.476 -37.974 -23.017 1055 HB3 LEU 61 3HB LEU 61 -0.856 -38.328 -22.437 1056 HG LEU 61 HG LEU 61 -0.521 -39.918 -24.325 1057 HD11 LEU 61 1HD1 LEU 61 -3.267 -39.070 -25.289 1058 HD12 LEU 61 2HD1 LEU 61 -2.823 -40.661 -24.664 1059 HD13 LEU 61 3HD1 LEU 61 -2.117 -40.081 -26.169 1060 HD21 LEU 61 1HD2 LEU 61 -0.358 -38.264 -26.134 1061 HD22 LEU 61 2HD2 LEU 61 0.179 -37.583 -24.602 1062 HD23 LEU 61 3HD2 LEU 61 -1.413 -37.159 -25.242 1063 H GLU 62 H GLU 62 -2.803 -42.328 -21.661 1064 HA GLU 62 HA GLU 62 -0.304 -43.551 -22.187 1065 HB2 GLU 62 2HB GLU 62 0.300 -42.528 -19.988 1066 HB3 GLU 62 3HB GLU 62 -1.080 -43.314 -19.234 1067 HG2 GLU 62 2HG GLU 62 -0.058 -45.538 -19.772 1068 HG3 GLU 62 3HG GLU 62 1.349 -44.699 -20.418 Start of MODEL 6 1 H1 MET 1 1H MET 1 1.506 -16.549 -10.620 2 H2 MET 1 2H MET 1 -0.033 -16.729 -11.284 3 H3 MET 1 3H MET 1 0.141 -16.169 -9.699 4 HA MET 1 HA MET 1 -0.423 -14.387 -11.172 5 HB2 MET 1 2HB MET 1 2.438 -14.282 -10.118 6 HB3 MET 1 3HB MET 1 1.528 -12.869 -10.647 7 HG2 MET 1 2HG MET 1 0.858 -14.667 -8.302 8 HG3 MET 1 3HG MET 1 1.458 -13.009 -8.229 9 HE1 MET 1 1HE MET 1 -0.274 -11.600 -10.621 10 HE2 MET 1 2HE MET 1 -0.020 -10.856 -9.040 11 HE3 MET 1 3HE MET 1 -1.650 -11.009 -9.690 12 H GLU 2 H GLU 2 2.867 -15.625 -12.023 13 HA GLU 2 HA GLU 2 2.913 -14.493 -14.637 14 HB2 GLU 2 2HB GLU 2 4.991 -15.186 -13.481 15 HB3 GLU 2 3HB GLU 2 4.473 -16.871 -13.524 16 HG2 GLU 2 2HG GLU 2 4.494 -16.749 -16.040 17 HG3 GLU 2 3HG GLU 2 5.157 -15.121 -15.913 18 H GLU 3 H GLU 3 1.668 -15.109 -16.304 19 HA GLU 3 HA GLU 3 1.057 -17.809 -17.023 20 HB2 GLU 3 2HB GLU 3 -0.506 -17.417 -15.061 21 HB3 GLU 3 3HB GLU 3 -1.273 -16.121 -15.973 22 HG2 GLU 3 2HG GLU 3 -1.973 -17.769 -17.691 23 HG3 GLU 3 3HG GLU 3 -1.202 -19.056 -16.757 24 H LEU 4 H LEU 4 -0.291 -17.870 -19.017 25 HA LEU 4 HA LEU 4 0.443 -15.907 -20.921 26 HB2 LEU 4 2HB LEU 4 -1.689 -18.072 -21.115 27 HB3 LEU 4 3HB LEU 4 -1.035 -17.173 -22.476 28 HG LEU 4 HG LEU 4 0.514 -19.116 -20.718 29 HD11 LEU 4 1HD1 LEU 4 -0.389 -19.401 -23.594 30 HD12 LEU 4 2HD1 LEU 4 -1.056 -20.255 -22.198 31 HD13 LEU 4 3HD1 LEU 4 0.609 -20.549 -22.694 32 HD21 LEU 4 1HD2 LEU 4 1.472 -17.539 -23.134 33 HD22 LEU 4 2HD2 LEU 4 2.385 -18.804 -22.308 34 HD23 LEU 4 3HD2 LEU 4 1.990 -17.312 -21.461 35 H SER 5 H SER 5 -0.311 -13.875 -20.366 36 HA SER 5 HA SER 5 -3.037 -13.289 -19.684 37 HB2 SER 5 2HB SER 5 -1.130 -11.886 -18.888 38 HB3 SER 5 3HB SER 5 -0.801 -11.394 -20.549 39 HG SER 5 HG SER 5 -2.043 -9.804 -19.696 40 H GLY 6 H GLY 6 -4.276 -11.616 -20.982 41 HA2 GLY 6 2HA GLY 6 -4.529 -10.920 -23.470 42 HA3 GLY 6 3HA GLY 6 -4.592 -12.661 -23.730 43 H LYS 7 H LYS 7 -5.919 -12.947 -21.061 44 HA LYS 7 HA LYS 7 -8.670 -12.069 -21.726 45 HB2 LYS 7 2HB LYS 7 -9.526 -13.948 -20.529 46 HB3 LYS 7 3HB LYS 7 -8.223 -14.602 -21.503 47 HG2 LYS 7 2HG LYS 7 -7.871 -13.881 -18.576 48 HG3 LYS 7 3HG LYS 7 -8.441 -15.463 -19.104 49 HD2 LYS 7 2HD LYS 7 -6.335 -15.816 -20.349 50 HD3 LYS 7 3HD LYS 7 -5.759 -14.223 -19.844 51 HE2 LYS 7 2HE LYS 7 -5.685 -14.912 -17.527 52 HE3 LYS 7 3HE LYS 7 -6.490 -16.437 -17.897 53 HZ1 LYS 7 1HZ LYS 7 -4.553 -17.033 -19.251 54 HZ2 LYS 7 2HZ LYS 7 -4.172 -16.800 -17.626 55 HZ3 LYS 7 3HZ LYS 7 -3.779 -15.613 -18.757 56 HA PRO 8 HA PRO 8 -8.518 -9.480 -18.056 57 HB2 PRO 8 2HB PRO 8 -11.079 -9.381 -17.159 58 HB3 PRO 8 3HB PRO 8 -10.645 -8.723 -18.753 59 HG2 PRO 8 2HG PRO 8 -11.869 -11.396 -18.109 60 HG3 PRO 8 3HG PRO 8 -12.348 -10.217 -19.352 61 HD2 PRO 8 2HD PRO 8 -10.785 -12.383 -19.932 62 HD3 PRO 8 3HD PRO 8 -10.644 -10.844 -20.810 63 H LEU 9 H LEU 9 -8.972 -9.407 -15.658 64 HA LEU 9 HA LEU 9 -8.281 -11.874 -14.378 65 HB2 LEU 9 2HB LEU 9 -8.551 -10.471 -12.227 66 HB3 LEU 9 3HB LEU 9 -7.277 -10.045 -13.343 67 HG LEU 9 HG LEU 9 -8.753 -8.153 -14.202 68 HD11 LEU 9 1HD1 LEU 9 -10.461 -8.779 -11.781 69 HD12 LEU 9 2HD1 LEU 9 -10.953 -8.894 -13.470 70 HD13 LEU 9 3HD1 LEU 9 -10.579 -7.320 -12.771 71 HD21 LEU 9 1HD2 LEU 9 -6.900 -7.730 -12.680 72 HD22 LEU 9 2HD2 LEU 9 -7.941 -8.043 -11.290 73 HD23 LEU 9 3HD2 LEU 9 -8.248 -6.649 -12.328 74 H SER 10 H SER 10 -9.522 -13.177 -13.062 75 HA SER 10 HA SER 10 -12.341 -13.359 -13.469 76 HB2 SER 10 2HB SER 10 -10.615 -14.727 -11.350 77 HB3 SER 10 3HB SER 10 -12.203 -15.259 -11.905 78 HG SER 10 HG SER 10 -10.015 -16.105 -12.831 79 H TYR 11 H TYR 11 -13.897 -13.458 -11.542 80 HA TYR 11 HA TYR 11 -13.985 -11.002 -10.140 81 HB2 TYR 11 2HB TYR 11 -16.067 -12.181 -10.581 82 HB3 TYR 11 3HB TYR 11 -15.523 -13.597 -9.684 83 HD1 TYR 11 HD1 TYR 11 -16.194 -9.918 -9.166 84 HD2 TYR 11 HD2 TYR 11 -16.212 -13.829 -7.419 85 HE1 TYR 11 HE1 TYR 11 -17.188 -9.008 -7.118 86 HE2 TYR 11 HE2 TYR 11 -17.198 -12.903 -5.372 87 HH TYR 11 HH TYR 11 -17.339 -10.735 -4.221 88 H ALA 12 H ALA 12 -12.889 -14.243 -9.210 89 HA ALA 12 HA ALA 12 -12.333 -13.804 -6.492 90 HB1 ALA 12 1HB ALA 12 -10.897 -15.794 -6.668 91 HB2 ALA 12 2HB ALA 12 -10.951 -15.689 -8.431 92 HB3 ALA 12 3HB ALA 12 -12.422 -16.035 -7.518 93 H GLU 13 H GLU 13 -10.384 -13.261 -9.395 94 HA GLU 13 HA GLU 13 -7.987 -12.489 -8.054 95 HB2 GLU 13 2HB GLU 13 -8.825 -11.835 -10.905 96 HB3 GLU 13 3HB GLU 13 -7.189 -11.809 -10.263 97 HG2 GLU 13 2HG GLU 13 -8.930 -14.232 -10.772 98 HG3 GLU 13 3HG GLU 13 -7.437 -13.788 -11.594 99 H LYS 14 H LYS 14 -10.772 -10.779 -9.332 100 HA LYS 14 HA LYS 14 -9.886 -8.109 -9.156 101 HB2 LYS 14 2HB LYS 14 -11.860 -8.790 -10.441 102 HB3 LYS 14 3HB LYS 14 -12.668 -9.323 -8.970 103 HG2 LYS 14 2HG LYS 14 -12.604 -6.915 -8.165 104 HG3 LYS 14 3HG LYS 14 -12.001 -6.467 -9.764 105 HD2 LYS 14 2HD LYS 14 -14.683 -7.732 -9.101 106 HD3 LYS 14 3HD LYS 14 -14.398 -6.102 -9.715 107 HE2 LYS 14 2HE LYS 14 -13.420 -7.189 -11.806 108 HE3 LYS 14 3HE LYS 14 -14.015 -8.726 -11.191 109 HZ1 LYS 14 1HZ LYS 14 -16.250 -7.818 -11.212 110 HZ2 LYS 14 2HZ LYS 14 -15.552 -7.759 -12.750 111 HZ3 LYS 14 3HZ LYS 14 -15.674 -6.351 -11.820 112 H GLU 15 H GLU 15 -11.818 -10.127 -6.949 113 HA GLU 15 HA GLU 15 -12.225 -8.120 -4.979 114 HB2 GLU 15 2HB GLU 15 -13.245 -9.847 -3.610 115 HB3 GLU 15 3HB GLU 15 -13.759 -10.055 -5.281 116 HG2 GLU 15 2HG GLU 15 -12.253 -11.933 -5.575 117 HG3 GLU 15 3HG GLU 15 -11.544 -11.676 -3.984 118 H LYS 16 H LYS 16 -9.811 -10.790 -5.237 119 HA LYS 16 HA LYS 16 -8.630 -10.280 -2.691 120 HB2 LYS 16 2HB LYS 16 -6.852 -11.751 -3.312 121 HB3 LYS 16 3HB LYS 16 -8.322 -12.415 -4.011 122 HG2 LYS 16 2HG LYS 16 -7.704 -11.473 -6.216 123 HG3 LYS 16 3HG LYS 16 -6.226 -10.813 -5.520 124 HD2 LYS 16 2HD LYS 16 -5.775 -12.877 -6.771 125 HD3 LYS 16 3HD LYS 16 -5.416 -13.096 -5.058 126 HE2 LYS 16 2HE LYS 16 -7.476 -14.346 -4.739 127 HE3 LYS 16 3HE LYS 16 -7.995 -13.986 -6.388 128 HZ1 LYS 16 1HZ LYS 16 -5.551 -15.525 -5.728 129 HZ2 LYS 16 2HZ LYS 16 -6.258 -15.316 -7.255 130 HZ3 LYS 16 3HZ LYS 16 -7.045 -16.228 -6.072 131 H LEU 17 H LEU 17 -8.242 -8.877 -5.866 132 HA LEU 17 HA LEU 17 -5.795 -7.491 -5.368 133 HB2 LEU 17 2HB LEU 17 -7.038 -8.197 -7.630 134 HB3 LEU 17 3HB LEU 17 -7.732 -6.598 -7.503 135 HG LEU 17 HG LEU 17 -5.744 -6.673 -8.998 136 HD11 LEU 17 1HD1 LEU 17 -6.264 -4.546 -7.858 137 HD12 LEU 17 2HD1 LEU 17 -4.537 -4.740 -8.138 138 HD13 LEU 17 3HD1 LEU 17 -5.202 -5.004 -6.523 139 HD21 LEU 17 1HD2 LEU 17 -4.165 -7.420 -6.500 140 HD22 LEU 17 2HD2 LEU 17 -3.493 -7.085 -8.099 141 HD23 LEU 17 3HD2 LEU 17 -4.516 -8.497 -7.858 142 H LYS 18 H LYS 18 -9.262 -6.561 -5.225 143 HA LYS 18 HA LYS 18 -8.672 -3.782 -4.759 144 HB2 LYS 18 2HB LYS 18 -11.088 -3.465 -4.400 145 HB3 LYS 18 3HB LYS 18 -10.784 -4.393 -5.857 146 HG2 LYS 18 2HG LYS 18 -12.607 -5.520 -4.949 147 HG3 LYS 18 3HG LYS 18 -11.255 -6.475 -4.349 148 HD2 LYS 18 2HD LYS 18 -11.408 -5.192 -2.171 149 HD3 LYS 18 3HD LYS 18 -12.866 -4.408 -2.780 150 HE2 LYS 18 2HE LYS 18 -12.517 -7.398 -2.411 151 HE3 LYS 18 3HE LYS 18 -13.342 -6.328 -1.279 152 HZ1 LYS 18 1HZ LYS 18 -14.871 -7.481 -2.729 153 HZ2 LYS 18 2HZ LYS 18 -14.145 -6.792 -4.089 154 HZ3 LYS 18 3HZ LYS 18 -14.950 -5.811 -2.975 155 H GLU 19 H GLU 19 -9.285 -6.600 -2.680 156 HA GLU 19 HA GLU 19 -9.372 -5.076 -0.226 157 HB2 GLU 19 2HB GLU 19 -9.451 -7.158 0.950 158 HB3 GLU 19 3HB GLU 19 -10.438 -7.359 -0.493 159 HG2 GLU 19 2HG GLU 19 -8.611 -8.588 -1.586 160 HG3 GLU 19 3HG GLU 19 -7.601 -8.382 -0.155 161 H LYS 20 H LYS 20 -6.874 -6.662 -2.177 162 HA LYS 20 HA LYS 20 -4.649 -6.369 -0.509 163 HB2 LYS 20 2HB LYS 20 -4.022 -7.500 -2.431 164 HB3 LYS 20 3HB LYS 20 -5.083 -6.554 -3.458 165 HG2 LYS 20 2HG LYS 20 -3.467 -4.720 -3.531 166 HG3 LYS 20 3HG LYS 20 -2.409 -5.563 -2.394 167 HD2 LYS 20 2HD LYS 20 -3.153 -6.564 -5.168 168 HD3 LYS 20 3HD LYS 20 -1.646 -5.740 -4.760 169 HE2 LYS 20 2HE LYS 20 -2.559 -8.387 -3.584 170 HE3 LYS 20 3HE LYS 20 -1.349 -8.188 -4.857 171 HZ1 LYS 20 1HZ LYS 20 0.021 -6.952 -3.329 172 HZ2 LYS 20 2HZ LYS 20 -0.359 -8.463 -2.671 173 HZ3 LYS 20 3HZ LYS 20 -1.150 -7.078 -2.119 174 H LEU 21 H LEU 21 -6.014 -4.102 -2.903 175 HA LEU 21 HA LEU 21 -4.285 -1.934 -2.548 176 HB2 LEU 21 2HB LEU 21 -7.221 -1.860 -3.367 177 HB3 LEU 21 3HB LEU 21 -6.064 -0.562 -3.618 178 HG LEU 21 HG LEU 21 -5.946 -3.300 -4.932 179 HD11 LEU 21 1HD1 LEU 21 -7.786 -1.965 -5.797 180 HD12 LEU 21 2HD1 LEU 21 -6.517 -2.144 -7.006 181 HD13 LEU 21 3HD1 LEU 21 -6.687 -0.622 -6.124 182 HD21 LEU 21 1HD2 LEU 21 -3.689 -2.416 -4.608 183 HD22 LEU 21 2HD2 LEU 21 -4.149 -0.895 -5.375 184 HD23 LEU 21 3HD2 LEU 21 -4.129 -2.389 -6.314 185 H ALA 22 H ALA 22 -7.456 -2.621 -1.103 186 HA ALA 22 HA ALA 22 -7.786 -0.296 0.431 187 HB1 ALA 22 1HB ALA 22 -9.535 -1.555 1.628 188 HB2 ALA 22 2HB ALA 22 -8.941 -3.065 0.930 189 HB3 ALA 22 3HB ALA 22 -9.641 -1.824 -0.113 190 H PHE 23 H PHE 23 -6.428 -3.463 1.279 191 HA PHE 23 HA PHE 23 -6.041 -3.081 4.037 192 HB2 PHE 23 2HB PHE 23 -6.046 -5.306 2.966 193 HB3 PHE 23 3HB PHE 23 -4.586 -4.911 2.074 194 HD1 PHE 23 HD1 PHE 23 -5.933 -5.589 5.492 195 HD2 PHE 23 HD2 PHE 23 -2.415 -5.266 3.066 196 HE1 PHE 23 HE1 PHE 23 -4.583 -6.583 7.294 197 HE2 PHE 23 HE2 PHE 23 -1.084 -6.257 4.875 198 HZ PHE 23 HZ PHE 23 -2.162 -6.917 6.987 199 H LEU 24 H LEU 24 -3.685 -2.864 1.351 200 HA LEU 24 HA LEU 24 -1.563 -2.076 3.060 201 HB2 LEU 24 2HB LEU 24 -0.242 -1.781 1.027 202 HB3 LEU 24 3HB LEU 24 -1.091 -3.305 1.055 203 HG LEU 24 HG LEU 24 -2.809 -2.157 -0.562 204 HD11 LEU 24 1HD1 LEU 24 -2.087 0.155 -0.331 205 HD12 LEU 24 2HD1 LEU 24 -1.923 -0.383 -1.996 206 HD13 LEU 24 3HD1 LEU 24 -0.493 -0.249 -0.971 207 HD21 LEU 24 1HD2 LEU 24 -1.476 -2.746 -2.548 208 HD22 LEU 24 2HD2 LEU 24 -1.315 -3.960 -1.282 209 HD23 LEU 24 3HD2 LEU 24 -0.011 -2.802 -1.559 210 H LYS 25 H LYS 25 -3.954 -0.209 1.251 211 HA LYS 25 HA LYS 25 -2.465 2.272 1.432 212 HB2 LYS 25 2HB LYS 25 -4.276 3.351 0.313 213 HB3 LYS 25 3HB LYS 25 -4.081 1.779 -0.447 214 HG2 LYS 25 2HG LYS 25 -6.007 0.955 0.979 215 HG3 LYS 25 3HG LYS 25 -6.256 2.620 1.500 216 HD2 LYS 25 2HD LYS 25 -6.394 1.628 -1.375 217 HD3 LYS 25 3HD LYS 25 -7.786 1.965 -0.343 218 HE2 LYS 25 2HE LYS 25 -7.113 4.341 -0.215 219 HE3 LYS 25 3HE LYS 25 -5.723 4.003 -1.250 220 HZ1 LYS 25 1HZ LYS 25 -8.554 3.601 -2.043 221 HZ2 LYS 25 2HZ LYS 25 -7.193 3.416 -3.030 222 HZ3 LYS 25 3HZ LYS 25 -7.615 4.947 -2.454 223 H LYS 26 H LYS 26 -5.017 0.704 3.378 224 HA LYS 26 HA LYS 26 -5.634 3.086 4.875 225 HB2 LYS 26 2HB LYS 26 -6.977 1.695 6.348 226 HB3 LYS 26 3HB LYS 26 -7.295 1.269 4.673 227 HG2 LYS 26 2HG LYS 26 -5.858 -0.737 4.923 228 HG3 LYS 26 3HG LYS 26 -5.593 -0.323 6.620 229 HD2 LYS 26 2HD LYS 26 -8.005 -0.577 7.076 230 HD3 LYS 26 3HD LYS 26 -8.306 -0.917 5.368 231 HE2 LYS 26 2HE LYS 26 -8.279 -2.986 6.726 232 HE3 LYS 26 3HE LYS 26 -6.991 -2.982 5.524 233 HZ1 LYS 26 1HZ LYS 26 -6.689 -2.356 8.403 234 HZ2 LYS 26 2HZ LYS 26 -5.444 -2.309 7.264 235 HZ3 LYS 26 3HZ LYS 26 -6.197 -3.776 7.637 236 H GLU 27 H GLU 27 -3.535 0.211 5.467 237 HA GLU 27 HA GLU 27 -2.538 1.161 7.969 238 HB2 GLU 27 2HB GLU 27 -0.687 -0.427 7.714 239 HB3 GLU 27 3HB GLU 27 -2.229 -1.188 7.351 240 HG2 GLU 27 2HG GLU 27 -1.776 -1.136 4.978 241 HG3 GLU 27 3HG GLU 27 -0.317 -0.179 5.220 242 H TYR 28 H TYR 28 -1.538 1.634 4.580 243 HA TYR 28 HA TYR 28 0.870 2.989 4.842 244 HB2 TYR 28 2HB TYR 28 0.056 2.377 2.647 245 HB3 TYR 28 3HB TYR 28 -1.395 3.336 2.837 246 HD1 TYR 28 HD1 TYR 28 2.248 3.484 2.116 247 HD2 TYR 28 HD2 TYR 28 -1.383 5.741 2.298 248 HE1 TYR 28 HE1 TYR 28 3.330 5.325 0.910 249 HE2 TYR 28 HE2 TYR 28 -0.295 7.577 1.085 250 HH TYR 28 HH TYR 28 1.952 8.423 0.659 251 H SER 29 H SER 29 -2.437 4.334 4.839 252 HA SER 29 HA SER 29 -1.720 7.048 5.086 253 HB2 SER 29 2HB SER 29 -4.309 5.670 5.924 254 HB3 SER 29 3HB SER 29 -4.100 7.406 5.665 255 HG SER 29 HG SER 29 -3.435 5.569 3.642 256 H ARG 30 H ARG 30 -2.653 4.626 7.539 257 HA ARG 30 HA ARG 30 -2.624 6.391 9.765 258 HB2 ARG 30 2HB ARG 30 -3.876 4.252 9.723 259 HB3 ARG 30 3HB ARG 30 -2.360 3.354 9.704 260 HG2 ARG 30 2HG ARG 30 -1.802 4.297 11.947 261 HG3 ARG 30 3HG ARG 30 -3.351 5.145 11.953 262 HD2 ARG 30 2HD ARG 30 -4.514 2.945 11.799 263 HD3 ARG 30 3HD ARG 30 -2.944 2.137 11.908 264 HE ARG 30 HE ARG 30 -2.973 3.759 14.088 265 HH11 ARG 30 1HH1 ARG 30 -5.222 1.310 12.939 266 HH12 ARG 30 2HH1 ARG 30 -5.765 0.905 14.536 267 HH21 ARG 30 1HH2 ARG 30 -3.709 3.229 16.151 268 HH22 ARG 30 2HH2 ARG 30 -4.906 1.990 16.353 269 H THR 31 H THR 31 -0.187 4.074 8.575 270 HA THR 31 HA THR 31 1.573 4.506 10.793 271 HB THR 31 HB THR 31 1.325 2.268 9.658 272 HG1 THR 31 HG1 THR 31 3.852 3.486 10.093 273 HG21 THR 31 1HG2 THR 31 3.173 3.451 7.547 274 HG22 THR 31 2HG2 THR 31 1.494 2.992 7.273 275 HG23 THR 31 3HG2 THR 31 2.687 1.760 7.680 276 H LEU 32 H LEU 32 1.397 5.664 7.460 277 HA LEU 32 HA LEU 32 3.861 7.082 7.441 278 HB2 LEU 32 2HB LEU 32 2.531 6.588 5.410 279 HB3 LEU 32 3HB LEU 32 1.283 7.687 5.947 280 HG LEU 32 HG LEU 32 4.073 8.793 5.480 281 HD11 LEU 32 1HD1 LEU 32 3.589 9.194 3.102 282 HD12 LEU 32 2HD1 LEU 32 2.103 8.254 3.236 283 HD13 LEU 32 3HD1 LEU 32 3.667 7.468 3.462 284 HD21 LEU 32 1HD2 LEU 32 2.360 10.308 6.414 285 HD22 LEU 32 2HD2 LEU 32 1.319 10.000 5.025 286 HD23 LEU 32 3HD2 LEU 32 2.859 10.834 4.805 287 H ALA 33 H ALA 33 0.562 7.851 8.527 288 HA ALA 33 HA ALA 33 0.851 10.568 9.122 289 HB1 ALA 33 1HB ALA 33 -1.322 9.401 9.088 290 HB2 ALA 33 2HB ALA 33 -1.100 10.286 10.597 291 HB3 ALA 33 3HB ALA 33 -0.890 8.529 10.562 292 H ARG 34 H ARG 34 1.370 7.726 11.255 293 HA ARG 34 HA ARG 34 2.096 9.275 13.545 294 HB2 ARG 34 2HB ARG 34 2.548 7.164 14.656 295 HB3 ARG 34 3HB ARG 34 1.063 7.032 13.729 296 HG2 ARG 34 2HG ARG 34 2.453 5.895 11.909 297 HG3 ARG 34 3HG ARG 34 3.760 5.813 13.087 298 HD2 ARG 34 2HD ARG 34 1.011 4.552 13.362 299 HD3 ARG 34 3HD ARG 34 2.513 3.703 12.983 300 HE ARG 34 HE ARG 34 2.613 5.150 15.477 301 HH11 ARG 34 1HH1 ARG 34 1.685 2.085 14.025 302 HH12 ARG 34 2HH1 ARG 34 1.804 1.205 15.515 303 HH21 ARG 34 1HH2 ARG 34 2.747 3.969 17.429 304 HH22 ARG 34 2HH2 ARG 34 2.401 2.269 17.428 305 H LEU 35 H LEU 35 3.964 7.679 10.977 306 HA LEU 35 HA LEU 35 6.568 8.079 11.998 307 HB2 LEU 35 2HB LEU 35 5.980 6.634 10.033 308 HB3 LEU 35 3HB LEU 35 5.679 8.069 9.079 309 HG LEU 35 HG LEU 35 8.443 7.591 10.275 310 HD11 LEU 35 1HD1 LEU 35 9.171 6.447 8.249 311 HD12 LEU 35 2HD1 LEU 35 7.522 6.468 7.615 312 HD13 LEU 35 3HD1 LEU 35 7.903 5.531 9.061 313 HD21 LEU 35 1HD2 LEU 35 7.570 9.078 7.766 314 HD22 LEU 35 2HD2 LEU 35 9.235 8.895 8.326 315 HD23 LEU 35 3HD2 LEU 35 8.080 9.810 9.287 316 H GLN 36 H GLN 36 4.461 10.117 9.987 317 HA GLN 36 HA GLN 36 6.227 12.297 9.663 318 HB2 GLN 36 2HB GLN 36 3.196 12.145 9.456 319 HB3 GLN 36 3HB GLN 36 4.096 13.624 9.130 320 HG2 GLN 36 2HG GLN 36 4.368 11.005 7.634 321 HG3 GLN 36 3HG GLN 36 3.544 12.447 7.054 322 HE21 GLN 36 1HE2 GLN 36 5.787 10.973 5.872 323 HE22 GLN 36 2HE2 GLN 36 7.071 12.117 5.689 324 H ARG 37 H ARG 37 3.678 11.597 12.065 325 HA ARG 37 HA ARG 37 3.797 14.075 13.417 326 HB2 ARG 37 2HB ARG 37 2.813 11.349 14.343 327 HB3 ARG 37 3HB ARG 37 2.729 12.776 15.373 328 HG2 ARG 37 2HG ARG 37 1.341 12.389 12.703 329 HG3 ARG 37 3HG ARG 37 0.579 12.426 14.291 330 HD2 ARG 37 2HD ARG 37 1.909 14.746 12.835 331 HD3 ARG 37 3HD ARG 37 0.193 14.559 13.217 332 HE ARG 37 HE ARG 37 1.075 14.558 15.653 333 HH11 ARG 37 1HH1 ARG 37 2.274 16.599 13.074 334 HH12 ARG 37 2HH1 ARG 37 2.776 17.859 14.151 335 HH21 ARG 37 1HH2 ARG 37 1.799 16.189 17.053 336 HH22 ARG 37 2HH2 ARG 37 2.508 17.627 16.397 337 H ALA 38 H ALA 38 5.709 11.156 13.737 338 HA ALA 38 HA ALA 38 7.103 11.818 16.114 339 HB1 ALA 38 1HB ALA 38 7.097 9.537 15.172 340 HB2 ALA 38 2HB ALA 38 8.746 10.120 15.401 341 HB3 ALA 38 3HB ALA 38 8.034 10.092 13.784 342 H LYS 39 H LYS 39 7.995 12.271 12.660 343 HA LYS 39 HA LYS 39 10.461 13.625 13.294 344 HB2 LYS 39 2HB LYS 39 10.819 13.752 10.899 345 HB3 LYS 39 3HB LYS 39 10.225 12.154 11.323 346 HG2 LYS 39 2HG LYS 39 7.929 12.876 10.562 347 HG3 LYS 39 3HG LYS 39 8.641 14.383 9.989 348 HD2 LYS 39 2HD LYS 39 9.275 11.576 8.993 349 HD3 LYS 39 3HD LYS 39 8.369 12.817 8.131 350 HE2 LYS 39 2HE LYS 39 11.313 12.985 8.868 351 HE3 LYS 39 3HE LYS 39 10.673 12.604 7.274 352 HZ1 LYS 39 1HZ LYS 39 11.348 14.916 7.482 353 HZ2 LYS 39 2HZ LYS 39 10.220 15.145 8.716 354 HZ3 LYS 39 3HZ LYS 39 9.696 14.776 7.155 355 H ARG 40 H ARG 40 7.219 14.730 12.646 356 HA ARG 40 HA ARG 40 7.941 17.443 11.898 357 HB2 ARG 40 2HB ARG 40 5.249 16.156 12.521 358 HB3 ARG 40 3HB ARG 40 5.416 17.863 12.134 359 HG2 ARG 40 2HG ARG 40 6.211 15.591 10.281 360 HG3 ARG 40 3HG ARG 40 4.685 16.469 10.204 361 HD2 ARG 40 2HD ARG 40 7.439 17.691 9.806 362 HD3 ARG 40 3HD ARG 40 6.294 17.279 8.526 363 HE ARG 40 HE ARG 40 5.173 19.059 10.481 364 HH11 ARG 40 1HH1 ARG 40 7.121 18.981 7.554 365 HH12 ARG 40 2HH1 ARG 40 6.746 20.616 7.123 366 HH21 ARG 40 1HH2 ARG 40 4.730 21.218 9.915 367 HH22 ARG 40 2HH2 ARG 40 5.393 21.882 8.458 368 H ALA 41 H ALA 41 6.470 15.852 14.732 369 HA ALA 41 HA ALA 41 6.151 18.243 16.256 370 HB1 ALA 41 1HB ALA 41 5.500 16.761 18.101 371 HB2 ALA 41 2HB ALA 41 6.074 15.362 17.189 372 HB3 ALA 41 3HB ALA 41 4.696 16.291 16.598 373 H GLU 42 H GLU 42 8.574 15.630 16.189 374 HA GLU 42 HA GLU 42 10.571 15.271 17.220 375 HB2 GLU 42 2HB GLU 42 10.792 18.290 16.864 376 HB3 GLU 42 3HB GLU 42 12.152 17.219 17.208 377 HG2 GLU 42 2HG GLU 42 11.690 16.002 15.087 378 HG3 GLU 42 3HG GLU 42 10.407 17.161 14.733 379 H LYS 43 H LYS 43 8.459 15.473 19.012 380 HA LYS 43 HA LYS 43 8.805 16.990 21.332 381 HB2 LYS 43 2HB LYS 43 7.353 15.375 22.455 382 HB3 LYS 43 3HB LYS 43 6.764 15.626 20.824 383 HG2 LYS 43 2HG LYS 43 8.416 13.226 21.678 384 HG3 LYS 43 3HG LYS 43 6.656 13.241 21.631 385 HD2 LYS 43 2HD LYS 43 6.763 13.675 19.157 386 HD3 LYS 43 3HD LYS 43 8.526 13.582 19.248 387 HE2 LYS 43 2HE LYS 43 7.620 11.454 18.454 388 HE3 LYS 43 3HE LYS 43 8.351 11.237 20.043 389 HZ1 LYS 43 1HZ LYS 43 6.221 10.094 19.839 390 HZ2 LYS 43 2HZ LYS 43 5.438 11.561 19.537 391 HZ3 LYS 43 3HZ LYS 43 6.162 11.283 21.039 392 H ALA 44 H ALA 44 10.549 14.202 20.231 393 HA ALA 44 HA ALA 44 11.839 13.662 22.813 394 HB1 ALA 44 1HB ALA 44 12.640 11.614 21.704 395 HB2 ALA 44 2HB ALA 44 11.889 12.144 20.197 396 HB3 ALA 44 3HB ALA 44 10.884 11.772 21.599 397 H LYS 45 H LYS 45 12.388 15.884 20.619 398 HA LYS 45 HA LYS 45 15.080 15.608 19.764 399 HB2 LYS 45 2HB LYS 45 13.573 17.194 18.682 400 HB3 LYS 45 3HB LYS 45 13.313 18.049 20.195 401 HG2 LYS 45 2HG LYS 45 15.793 18.686 20.125 402 HG3 LYS 45 3HG LYS 45 15.826 18.039 18.483 403 HD2 LYS 45 2HD LYS 45 14.019 20.291 19.451 404 HD3 LYS 45 3HD LYS 45 15.514 20.519 18.543 405 HE2 LYS 45 2HE LYS 45 13.081 19.019 17.525 406 HE3 LYS 45 3HE LYS 45 13.484 20.690 17.126 407 HZ1 LYS 45 1HZ LYS 45 15.546 19.917 16.142 408 HZ2 LYS 45 2HZ LYS 45 14.213 19.182 15.406 409 HZ3 LYS 45 3HZ LYS 45 15.149 18.315 16.512 410 H ASN 46 H ASN 46 13.551 16.881 22.688 411 HA ASN 46 HA ASN 46 14.270 17.468 24.738 412 HB2 ASN 46 2HB ASN 46 17.074 16.732 23.799 413 HB3 ASN 46 3HB ASN 46 16.711 17.312 25.421 414 HD21 ASN 46 1HD2 ASN 46 16.207 14.687 23.144 415 HD22 ASN 46 2HD2 ASN 46 15.770 13.514 24.330 416 H SER 47 H SER 47 16.360 18.745 22.146 417 HA SER 47 HA SER 47 16.594 21.381 23.262 418 HB2 SER 47 2HB SER 47 16.976 20.480 20.366 419 HB3 SER 47 3HB SER 47 17.680 21.904 21.135 420 HG SER 47 HG SER 47 18.899 19.747 20.891 421 H LYS 48 H LYS 48 15.907 22.890 20.820 422 HA LYS 48 HA LYS 48 12.966 22.866 20.936 423 HB2 LYS 48 2HB LYS 48 12.864 25.246 21.517 424 HB3 LYS 48 3HB LYS 48 13.721 24.361 22.767 425 HG2 LYS 48 2HG LYS 48 15.092 26.015 20.615 426 HG3 LYS 48 3HG LYS 48 14.698 26.617 22.224 427 HD2 LYS 48 2HD LYS 48 16.184 24.879 23.223 428 HD3 LYS 48 3HD LYS 48 16.581 24.301 21.605 429 HE2 LYS 48 2HE LYS 48 18.383 25.702 22.402 430 HE3 LYS 48 3HE LYS 48 17.552 26.538 21.091 431 HZ1 LYS 48 1HZ LYS 48 16.396 27.881 22.714 432 HZ2 LYS 48 2HZ LYS 48 18.064 28.000 22.959 433 HZ3 LYS 48 3HZ LYS 48 17.123 27.043 23.987 434 H LYS 49 H LYS 49 11.976 24.341 19.399 435 HA LYS 49 HA LYS 49 13.363 24.435 16.799 436 HB2 LYS 49 2HB LYS 49 10.429 24.864 17.542 437 HB3 LYS 49 3HB LYS 49 11.059 24.885 15.905 438 HG2 LYS 49 2HG LYS 49 11.532 22.399 17.520 439 HG3 LYS 49 3HG LYS 49 9.889 22.713 16.968 440 HD2 LYS 49 2HD LYS 49 10.997 21.273 15.358 441 HD3 LYS 49 3HD LYS 49 10.730 22.849 14.620 442 HE2 LYS 49 2HE LYS 49 13.113 23.420 15.011 443 HE3 LYS 49 3HE LYS 49 13.368 21.842 15.752 444 HZ1 LYS 49 1HZ LYS 49 14.101 21.842 13.470 445 HZ2 LYS 49 2HZ LYS 49 12.570 22.334 12.937 446 HZ3 LYS 49 3HZ LYS 49 12.767 20.812 13.641 447 H ALA 50 H ALA 50 12.701 26.395 15.419 448 HA ALA 50 HA ALA 50 12.985 28.947 16.834 449 HB1 ALA 50 1HB ALA 50 12.670 28.359 13.849 450 HB2 ALA 50 2HB ALA 50 14.199 28.624 14.691 451 HB3 ALA 50 3HB ALA 50 13.030 29.937 14.558 452 H ILE 51 H ILE 51 11.356 30.697 16.444 453 HA ILE 51 HA ILE 51 8.657 29.748 16.810 454 HB ILE 51 HB ILE 51 8.018 32.200 16.926 455 HG12 ILE 51 2HG1 ILE 51 10.147 33.777 17.298 456 HG13 ILE 51 3HG1 ILE 51 10.969 32.611 16.274 457 HG21 ILE 51 1HG2 ILE 51 8.569 30.905 18.927 458 HG22 ILE 51 2HG2 ILE 51 9.106 32.574 19.111 459 HG23 ILE 51 3HG2 ILE 51 10.279 31.305 18.747 460 HD11 ILE 51 1HD1 ILE 51 8.541 34.223 15.494 461 HD12 ILE 51 2HD1 ILE 51 9.440 33.114 14.456 462 HD13 ILE 51 3HD1 ILE 51 10.210 34.582 15.053 463 H GLU 52 H GLU 52 10.517 30.778 14.094 464 HA GLU 52 HA GLU 52 8.547 31.742 12.329 465 HB2 GLU 52 2HB GLU 52 11.191 30.358 11.682 466 HB3 GLU 52 3HB GLU 52 10.213 31.260 10.522 467 HG2 GLU 52 2HG GLU 52 10.537 33.314 11.834 468 HG3 GLU 52 3HG GLU 52 11.510 32.423 13.005 469 H ASP 53 H ASP 53 6.933 30.730 11.370 470 HA ASP 53 HA ASP 53 6.545 27.856 11.591 471 HB2 ASP 53 2HB ASP 53 4.262 28.330 10.915 472 HB3 ASP 53 3HB ASP 53 4.750 29.557 12.077 473 H GLY 54 H GLY 54 4.902 27.643 9.111 474 HA2 GLY 54 2HA GLY 54 7.121 27.333 7.142 475 HA3 GLY 54 3HA GLY 54 5.848 26.150 7.395 476 H VAL 55 H VAL 55 5.302 29.667 7.246 477 HA VAL 55 HA VAL 55 3.585 29.262 4.901 478 HB VAL 55 HB VAL 55 2.795 30.670 6.844 479 HG11 VAL 55 1HG1 VAL 55 4.865 31.864 7.419 480 HG12 VAL 55 2HG1 VAL 55 3.545 32.995 7.117 481 HG13 VAL 55 3HG1 VAL 55 4.792 32.750 5.893 482 HG21 VAL 55 1HG2 VAL 55 2.850 32.083 4.158 483 HG22 VAL 55 2HG2 VAL 55 1.716 32.427 5.468 484 HG23 VAL 55 3HG2 VAL 55 1.696 30.852 4.670 485 HA PRO 56 HA PRO 56 6.803 31.007 2.097 486 HB2 PRO 56 2HB PRO 56 5.325 30.872 -0.211 487 HB3 PRO 56 3HB PRO 56 6.075 29.430 0.507 488 HG2 PRO 56 2HG PRO 56 3.230 30.373 0.748 489 HG3 PRO 56 3HG PRO 56 3.840 28.738 0.399 490 HD2 PRO 56 2HD PRO 56 3.052 29.464 2.896 491 HD3 PRO 56 3HD PRO 56 4.378 28.311 2.630 492 H GLN 57 H GLN 57 6.622 32.879 0.420 493 HA GLN 57 HA GLN 57 5.362 35.131 1.667 494 HB2 GLN 57 2HB GLN 57 6.204 36.336 -0.522 495 HB3 GLN 57 3HB GLN 57 7.358 35.790 0.678 496 HG2 GLN 57 2HG GLN 57 8.122 35.393 -1.633 497 HG3 GLN 57 3HG GLN 57 8.008 33.909 -0.699 498 HE21 GLN 57 1HE2 GLN 57 6.427 35.826 -3.198 499 HE22 GLN 57 2HE2 GLN 57 5.609 34.494 -3.926 500 HA PRO 58 HA PRO 58 1.669 35.111 -0.934 501 HB2 PRO 58 2HB PRO 58 0.485 37.370 -0.137 502 HB3 PRO 58 3HB PRO 58 0.807 36.103 1.066 503 HG2 PRO 58 2HG PRO 58 2.282 38.669 0.601 504 HG3 PRO 58 3HG PRO 58 1.904 37.850 2.135 505 HD2 PRO 58 2HD PRO 58 4.345 37.642 0.680 506 HD3 PRO 58 3HD PRO 58 3.852 36.629 2.051 507 H GLU 59 H GLU 59 0.501 37.110 -2.175 508 HA GLU 59 HA GLU 59 2.252 38.037 -4.283 509 HB2 GLU 59 2HB GLU 59 -0.724 38.550 -3.857 510 HB3 GLU 59 3HB GLU 59 0.190 39.010 -5.294 511 HG2 GLU 59 2HG GLU 59 0.701 36.603 -5.702 512 HG3 GLU 59 3HG GLU 59 -0.317 36.179 -4.324 513 H ALA 60 H ALA 60 0.874 39.247 -1.352 514 HA ALA 60 HA ALA 60 1.205 42.047 -1.759 515 HB1 ALA 60 1HB ALA 60 -0.344 41.131 -0.080 516 HB2 ALA 60 2HB ALA 60 0.829 42.205 0.678 517 HB3 ALA 60 3HB ALA 60 1.010 40.454 0.828 518 H LEU 61 H LEU 61 3.551 39.633 -1.477 519 HA LEU 61 HA LEU 61 5.603 40.772 0.044 520 HB2 LEU 61 2HB LEU 61 5.734 38.485 -0.875 521 HB3 LEU 61 3HB LEU 61 5.786 39.124 -2.511 522 HG LEU 61 HG LEU 61 8.002 40.267 -1.893 523 HD11 LEU 61 1HD1 LEU 61 7.861 38.487 0.559 524 HD12 LEU 61 2HD1 LEU 61 7.786 40.251 0.538 525 HD13 LEU 61 3HD1 LEU 61 9.260 39.429 0.034 526 HD21 LEU 61 1HD2 LEU 61 7.985 37.241 -1.797 527 HD22 LEU 61 2HD2 LEU 61 9.364 38.266 -2.199 528 HD23 LEU 61 3HD2 LEU 61 7.953 38.237 -3.254 529 H GLU 62 H GLU 62 4.836 41.181 -3.424 530 HA GLU 62 HA GLU 62 6.962 43.023 -3.967 531 HB2 GLU 62 2HB GLU 62 5.548 41.405 -5.582 532 HB3 GLU 62 3HB GLU 62 4.520 42.815 -5.753 533 HG2 GLU 62 2HG GLU 62 7.467 42.625 -6.456 534 HG3 GLU 62 3HG GLU 62 6.127 42.665 -7.593 535 H1 MET 1 1H MET 1 2.777 -3.594 18.914 536 H2 MET 1 2H MET 1 3.819 -4.543 19.850 537 H3 MET 1 3H MET 1 4.138 -4.303 18.210 538 HA MET 1 HA MET 1 5.580 -2.971 19.587 539 HB2 MET 1 2HB MET 1 3.561 -1.315 18.020 540 HB3 MET 1 3HB MET 1 5.181 -0.790 18.465 541 HG2 MET 1 2HG MET 1 4.481 -3.035 16.550 542 HG3 MET 1 3HG MET 1 5.119 -1.451 16.120 543 HE1 MET 1 1HE MET 1 7.647 -0.680 16.617 544 HE2 MET 1 2HE MET 1 8.806 -1.676 17.490 545 HE3 MET 1 3HE MET 1 7.425 -0.984 18.344 546 H GLU 2 H GLU 2 2.930 -3.557 21.180 547 HA GLU 2 HA GLU 2 2.376 -1.159 22.605 548 HB2 GLU 2 2HB GLU 2 0.723 -2.982 22.504 549 HB3 GLU 2 3HB GLU 2 1.821 -4.055 23.366 550 HG2 GLU 2 2HG GLU 2 0.000 -3.138 24.812 551 HG3 GLU 2 3HG GLU 2 1.619 -2.753 25.394 552 H GLU 3 H GLU 3 4.190 -0.263 23.292 553 HA GLU 3 HA GLU 3 5.577 -1.264 25.647 554 HB2 GLU 3 2HB GLU 3 6.838 -2.185 23.634 555 HB3 GLU 3 3HB GLU 3 7.109 -0.533 23.092 556 HG2 GLU 3 2HG GLU 3 8.377 -0.097 25.208 557 HG3 GLU 3 3HG GLU 3 8.164 -1.793 25.648 558 H LEU 4 H LEU 4 6.885 0.556 26.621 559 HA LEU 4 HA LEU 4 5.462 2.967 26.720 560 HB2 LEU 4 2HB LEU 4 8.384 2.538 27.469 561 HB3 LEU 4 3HB LEU 4 7.356 3.849 28.033 562 HG LEU 4 HG LEU 4 6.977 0.898 28.691 563 HD11 LEU 4 1HD1 LEU 4 8.914 1.847 29.837 564 HD12 LEU 4 2HD1 LEU 4 7.616 1.495 30.973 565 HD13 LEU 4 3HD1 LEU 4 7.920 3.161 30.473 566 HD21 LEU 4 1HD2 LEU 4 4.811 2.038 28.576 567 HD22 LEU 4 2HD2 LEU 4 5.387 3.296 29.670 568 HD23 LEU 4 3HD2 LEU 4 5.208 1.636 30.246 569 H SER 5 H SER 5 5.364 4.634 25.316 570 HA SER 5 HA SER 5 7.257 4.743 23.044 571 HB2 SER 5 2HB SER 5 4.833 4.299 22.560 572 HB3 SER 5 3HB SER 5 4.426 5.859 23.267 573 HG SER 5 HG SER 5 6.375 6.046 21.362 574 H GLY 6 H GLY 6 8.027 5.888 25.527 575 HA2 GLY 6 2HA GLY 6 7.745 8.729 25.632 576 HA3 GLY 6 3HA GLY 6 9.001 7.775 26.411 577 H LYS 7 H LYS 7 10.381 6.633 24.449 578 HA LYS 7 HA LYS 7 11.661 8.760 22.941 579 HB2 LYS 7 2HB LYS 7 13.324 7.168 22.343 580 HB3 LYS 7 3HB LYS 7 12.881 6.736 23.981 581 HG2 LYS 7 2HG LYS 7 11.760 5.316 21.550 582 HG3 LYS 7 3HG LYS 7 13.250 4.815 22.347 583 HD2 LYS 7 2HD LYS 7 12.014 4.378 24.431 584 HD3 LYS 7 3HD LYS 7 10.519 4.955 23.687 585 HE2 LYS 7 2HE LYS 7 10.515 3.096 22.128 586 HE3 LYS 7 3HE LYS 7 12.111 2.574 22.675 587 HZ1 LYS 7 1HZ LYS 7 10.121 1.364 23.590 588 HZ2 LYS 7 2HZ LYS 7 9.832 2.738 24.524 589 HZ3 LYS 7 3HZ LYS 7 11.272 1.890 24.705 590 HA PRO 8 HA PRO 8 9.307 8.091 19.148 591 HB2 PRO 8 2HB PRO 8 10.955 8.911 17.176 592 HB3 PRO 8 3HB PRO 8 10.474 10.044 18.458 593 HG2 PRO 8 2HG PRO 8 13.051 8.525 18.179 594 HG3 PRO 8 3HG PRO 8 12.794 10.224 18.638 595 HD2 PRO 8 2HD PRO 8 13.194 8.167 20.468 596 HD3 PRO 8 3HD PRO 8 12.384 9.699 20.846 597 H LEU 9 H LEU 9 9.816 7.127 16.703 598 HA LEU 9 HA LEU 9 10.510 4.378 16.997 599 HB2 LEU 9 2HB LEU 9 10.398 4.361 14.432 600 HB3 LEU 9 3HB LEU 9 8.938 4.768 15.301 601 HG LEU 9 HG LEU 9 9.440 7.239 14.794 602 HD11 LEU 9 1HD1 LEU 9 11.420 6.097 12.805 603 HD12 LEU 9 2HD1 LEU 9 11.794 7.124 14.188 604 HD13 LEU 9 3HD1 LEU 9 10.852 7.769 12.849 605 HD21 LEU 9 1HD2 LEU 9 8.483 7.144 12.542 606 HD22 LEU 9 2HD2 LEU 9 7.687 6.009 13.628 607 HD23 LEU 9 3HD2 LEU 9 8.858 5.421 12.444 608 H SER 10 H SER 10 12.393 3.307 16.432 609 HA SER 10 HA SER 10 14.887 4.712 16.446 610 HB2 SER 10 2HB SER 10 14.347 1.786 15.762 611 HB3 SER 10 3HB SER 10 15.886 2.477 16.296 612 HG SER 10 HG SER 10 14.297 1.391 17.860 613 H TYR 11 H TYR 11 16.555 4.368 14.675 614 HA TYR 11 HA TYR 11 15.647 5.235 12.148 615 HB2 TYR 11 2HB TYR 11 17.940 5.728 12.790 616 HB3 TYR 11 3HB TYR 11 18.323 4.017 12.967 617 HD1 TYR 11 HD1 TYR 11 17.149 6.470 10.338 618 HD2 TYR 11 HD2 TYR 11 19.380 2.907 11.143 619 HE1 TYR 11 HE1 TYR 11 17.852 6.374 7.988 620 HE2 TYR 11 HE2 TYR 11 20.066 2.817 8.793 621 HH TYR 11 HH TYR 11 19.284 3.631 6.619 622 H ALA 12 H ALA 12 16.414 2.015 13.409 623 HA ALA 12 HA ALA 12 16.188 0.499 11.058 624 HB1 ALA 12 1HB ALA 12 15.868 -1.428 12.565 625 HB2 ALA 12 2HB ALA 12 15.570 -0.329 13.918 626 HB3 ALA 12 3HB ALA 12 17.157 -0.375 13.144 627 H GLU 13 H GLU 13 13.763 1.575 13.402 628 HA GLU 13 HA GLU 13 11.547 0.170 12.282 629 HB2 GLU 13 2HB GLU 13 11.470 2.641 14.066 630 HB3 GLU 13 3HB GLU 13 10.158 1.500 13.799 631 HG2 GLU 13 2HG GLU 13 12.734 1.031 15.313 632 HG3 GLU 13 3HG GLU 13 11.095 1.045 15.957 633 H LYS 14 H LYS 14 12.913 3.367 11.876 634 HA LYS 14 HA LYS 14 10.885 4.619 10.371 635 HB2 LYS 14 2HB LYS 14 12.696 5.848 11.471 636 HB3 LYS 14 3HB LYS 14 13.894 5.053 10.456 637 HG2 LYS 14 2HG LYS 14 12.812 6.177 8.451 638 HG3 LYS 14 3HG LYS 14 11.809 7.085 9.587 639 HD2 LYS 14 2HD LYS 14 14.840 7.170 9.354 640 HD3 LYS 14 3HD LYS 14 13.706 8.461 8.938 641 HE2 LYS 14 2HE LYS 14 13.004 8.474 11.386 642 HE3 LYS 14 3HE LYS 14 14.357 7.392 11.702 643 HZ1 LYS 14 1HZ LYS 14 15.847 9.090 10.834 644 HZ2 LYS 14 2HZ LYS 14 14.955 9.657 12.155 645 HZ3 LYS 14 3HZ LYS 14 14.544 10.135 10.587 646 H GLU 15 H GLU 15 13.892 2.979 9.410 647 HA GLU 15 HA GLU 15 13.571 3.383 6.619 648 HB2 GLU 15 2HB GLU 15 15.513 1.969 6.315 649 HB3 GLU 15 3HB GLU 15 15.781 3.024 7.701 650 HG2 GLU 15 2HG GLU 15 15.392 1.210 9.249 651 HG3 GLU 15 3HG GLU 15 14.871 0.139 7.951 652 H LYS 16 H LYS 16 12.765 0.589 8.742 653 HA LYS 16 HA LYS 16 11.941 -1.108 6.602 654 HB2 LYS 16 2HB LYS 16 11.032 -2.595 8.229 655 HB3 LYS 16 3HB LYS 16 12.491 -1.914 8.935 656 HG2 LYS 16 2HG LYS 16 11.116 -0.354 10.279 657 HG3 LYS 16 3HG LYS 16 9.652 -1.040 9.579 658 HD2 LYS 16 2HD LYS 16 10.059 -1.926 11.833 659 HD3 LYS 16 3HD LYS 16 10.156 -3.213 10.630 660 HE2 LYS 16 2HE LYS 16 12.578 -3.223 10.760 661 HE3 LYS 16 3HE LYS 16 12.575 -1.777 11.772 662 HZ1 LYS 16 1HZ LYS 16 11.344 -4.351 12.577 663 HZ2 LYS 16 2HZ LYS 16 11.594 -2.982 13.544 664 HZ3 LYS 16 3HZ LYS 16 12.915 -3.881 12.990 665 H LEU 17 H LEU 17 10.391 1.432 8.422 666 HA LEU 17 HA LEU 17 7.707 0.889 7.617 667 HB2 LEU 17 2HB LEU 17 8.737 2.307 9.642 668 HB3 LEU 17 3HB LEU 17 8.575 3.634 8.515 669 HG LEU 17 HG LEU 17 6.657 3.455 10.087 670 HD11 LEU 17 1HD1 LEU 17 6.265 4.484 7.878 671 HD12 LEU 17 2HD1 LEU 17 4.830 3.675 8.497 672 HD13 LEU 17 3HD1 LEU 17 5.795 2.910 7.231 673 HD21 LEU 17 1HD2 LEU 17 6.086 0.775 8.755 674 HD22 LEU 17 2HD2 LEU 17 5.080 1.575 9.965 675 HD23 LEU 17 3HD2 LEU 17 6.685 1.001 10.403 676 H LYS 18 H LYS 18 10.262 3.119 6.415 677 HA LYS 18 HA LYS 18 8.490 4.388 4.531 678 HB2 LYS 18 2HB LYS 18 10.470 5.585 3.675 679 HB3 LYS 18 3HB LYS 18 10.392 5.658 5.426 680 HG2 LYS 18 2HG LYS 18 12.664 5.304 5.072 681 HG3 LYS 18 3HG LYS 18 12.082 3.666 5.352 682 HD2 LYS 18 2HD LYS 18 11.989 3.347 2.845 683 HD3 LYS 18 3HD LYS 18 12.745 4.928 2.654 684 HE2 LYS 18 2HE LYS 18 13.960 2.559 4.111 685 HE3 LYS 18 3HE LYS 18 14.370 3.061 2.474 686 HZ1 LYS 18 1HZ LYS 18 15.964 3.832 4.109 687 HZ2 LYS 18 2HZ LYS 18 14.760 4.702 4.908 688 HZ3 LYS 18 3HZ LYS 18 15.211 5.129 3.335 689 H GLU 19 H GLU 19 10.731 1.632 4.392 690 HA GLU 19 HA GLU 19 10.494 1.294 1.536 691 HB2 GLU 19 2HB GLU 19 11.740 -0.727 1.760 692 HB3 GLU 19 3HB GLU 19 12.441 0.416 2.897 693 HG2 GLU 19 2HG GLU 19 11.250 -0.681 4.757 694 HG3 GLU 19 3HG GLU 19 10.517 -1.819 3.629 695 H LYS 20 H LYS 20 8.773 0.144 4.407 696 HA LYS 20 HA LYS 20 6.991 -1.672 3.262 697 HB2 LYS 20 2HB LYS 20 6.688 -1.632 5.555 698 HB3 LYS 20 3HB LYS 20 6.954 0.097 5.671 699 HG2 LYS 20 2HG LYS 20 4.658 0.554 4.953 700 HG3 LYS 20 3HG LYS 20 4.362 -1.169 4.694 701 HD2 LYS 20 2HD LYS 20 5.025 0.104 7.378 702 HD3 LYS 20 3HD LYS 20 3.399 -0.307 6.832 703 HE2 LYS 20 2HE LYS 20 5.655 -2.305 7.205 704 HE3 LYS 20 3HE LYS 20 4.336 -2.028 8.346 705 HZ1 LYS 20 1HZ LYS 20 2.769 -2.735 6.682 706 HZ2 LYS 20 2HZ LYS 20 3.946 -3.928 6.899 707 HZ3 LYS 20 3HZ LYS 20 4.003 -2.927 5.546 708 H LEU 21 H LEU 21 6.658 1.851 3.679 709 HA LEU 21 HA LEU 21 4.179 2.238 2.450 710 HB2 LEU 21 2HB LEU 21 6.523 4.184 2.580 711 HB3 LEU 21 3HB LEU 21 4.857 4.624 2.235 712 HG LEU 21 HG LEU 21 5.865 3.492 4.870 713 HD11 LEU 21 1HD1 LEU 21 6.658 5.762 4.511 714 HD12 LEU 21 2HD1 LEU 21 5.452 5.712 5.794 715 HD13 LEU 21 3HD1 LEU 21 5.010 6.310 4.192 716 HD21 LEU 21 1HD2 LEU 21 3.553 2.803 4.477 717 HD22 LEU 21 2HD2 LEU 21 3.085 4.475 4.155 718 HD23 LEU 21 3HD2 LEU 21 3.636 4.004 5.764 719 H ALA 22 H ALA 22 7.469 2.509 1.152 720 HA ALA 22 HA ALA 22 6.873 3.348 -1.458 721 HB1 ALA 22 1HB ALA 22 9.187 2.699 -1.990 722 HB2 ALA 22 2HB ALA 22 9.297 1.800 -0.474 723 HB3 ALA 22 3HB ALA 22 9.109 3.555 -0.448 724 H PHE 23 H PHE 23 7.381 0.106 -0.112 725 HA PHE 23 HA PHE 23 7.344 -1.390 -2.498 726 HB2 PHE 23 2HB PHE 23 8.253 -2.257 -0.377 727 HB3 PHE 23 3HB PHE 23 6.658 -2.213 0.357 728 HD1 PHE 23 HD1 PHE 23 8.738 -3.937 -2.225 729 HD2 PHE 23 HD2 PHE 23 5.138 -4.070 0.102 730 HE1 PHE 23 HE1 PHE 23 8.380 -6.286 -2.880 731 HE2 PHE 23 HE2 PHE 23 4.797 -6.405 -0.568 732 HZ PHE 23 HZ PHE 23 6.414 -7.516 -2.051 733 H LEU 24 H LEU 24 4.765 -0.865 -0.077 734 HA LEU 24 HA LEU 24 2.855 -2.359 -1.546 735 HB2 LEU 24 2HB LEU 24 1.237 -1.649 0.138 736 HB3 LEU 24 3HB LEU 24 2.709 -2.265 0.843 737 HG LEU 24 HG LEU 24 3.358 0.251 1.210 738 HD11 LEU 24 1HD1 LEU 24 1.656 1.309 -0.171 739 HD12 LEU 24 2HD1 LEU 24 1.499 1.817 1.505 740 HD13 LEU 24 3HD1 LEU 24 0.378 0.629 0.836 741 HD21 LEU 24 1HD2 LEU 24 2.169 0.343 3.364 742 HD22 LEU 24 2HD2 LEU 24 2.829 -1.262 3.061 743 HD23 LEU 24 3HD2 LEU 24 1.102 -0.967 2.841 744 H LYS 25 H LYS 25 3.687 1.071 -1.543 745 HA LYS 25 HA LYS 25 1.234 1.890 -2.851 746 HB2 LYS 25 2HB LYS 25 2.075 4.123 -2.855 747 HB3 LYS 25 3HB LYS 25 2.553 3.413 -1.319 748 HG2 LYS 25 2HG LYS 25 4.840 2.997 -2.323 749 HG3 LYS 25 3HG LYS 25 4.325 3.924 -3.733 750 HD2 LYS 25 2HD LYS 25 4.457 4.972 -0.879 751 HD3 LYS 25 3HD LYS 25 5.650 5.285 -2.139 752 HE2 LYS 25 2HE LYS 25 3.933 6.463 -3.473 753 HE3 LYS 25 3HE LYS 25 2.737 6.148 -2.211 754 HZ1 LYS 25 1HZ LYS 25 5.237 7.685 -1.788 755 HZ2 LYS 25 2HZ LYS 25 3.965 7.484 -0.692 756 HZ3 LYS 25 3HZ LYS 25 3.730 8.381 -2.106 757 H LYS 26 H LYS 26 4.514 0.995 -3.947 758 HA LYS 26 HA LYS 26 4.137 2.031 -6.606 759 HB2 LYS 26 2HB LYS 26 6.211 0.922 -7.219 760 HB3 LYS 26 3HB LYS 26 6.410 1.755 -5.686 761 HG2 LYS 26 2HG LYS 26 6.190 -0.415 -4.501 762 HG3 LYS 26 3HG LYS 26 6.054 -1.237 -6.058 763 HD2 LYS 26 2HD LYS 26 8.318 -0.480 -6.674 764 HD3 LYS 26 3HD LYS 26 8.451 0.408 -5.151 765 HE2 LYS 26 2HE LYS 26 9.662 -1.734 -5.061 766 HE3 LYS 26 3HE LYS 26 8.340 -1.702 -3.898 767 HZ1 LYS 26 1HZ LYS 26 8.320 -3.039 -6.543 768 HZ2 LYS 26 2HZ LYS 26 7.010 -2.986 -5.473 769 HZ3 LYS 26 3HZ LYS 26 8.427 -3.797 -5.039 770 H GLU 27 H GLU 27 3.842 -1.241 -5.111 771 HA GLU 27 HA GLU 27 2.947 -2.513 -7.506 772 HB2 GLU 27 2HB GLU 27 2.102 -4.335 -6.103 773 HB3 GLU 27 3HB GLU 27 3.732 -3.880 -5.630 774 HG2 GLU 27 2HG GLU 27 2.912 -2.739 -3.661 775 HG3 GLU 27 3HG GLU 27 1.237 -2.960 -4.166 776 H TYR 28 H TYR 28 1.288 -0.766 -4.880 777 HA TYR 28 HA TYR 28 -1.394 -1.191 -5.467 778 HB2 TYR 28 2HB TYR 28 -0.761 0.044 -3.479 779 HB3 TYR 28 3HB TYR 28 0.039 1.286 -4.419 780 HD1 TYR 28 HD1 TYR 28 -3.252 -0.003 -3.299 781 HD2 TYR 28 HD2 TYR 28 -1.249 3.150 -5.375 782 HE1 TYR 28 HE1 TYR 28 -5.288 1.354 -3.197 783 HE2 TYR 28 HE2 TYR 28 -3.288 4.504 -5.270 784 HH TYR 28 HH TYR 28 -5.668 4.224 -4.996 785 H SER 29 H SER 29 0.794 1.312 -6.770 786 HA SER 29 HA SER 29 -1.088 2.628 -8.402 787 HB2 SER 29 2HB SER 29 1.942 2.483 -8.730 788 HB3 SER 29 3HB SER 29 0.879 3.685 -9.472 789 HG SER 29 HG SER 29 0.861 3.304 -6.686 790 H ARG 30 H ARG 30 1.299 0.077 -9.153 791 HA ARG 30 HA ARG 30 0.797 -0.039 -11.945 792 HB2 ARG 30 2HB ARG 30 2.890 -0.841 -10.881 793 HB3 ARG 30 3HB ARG 30 2.007 -2.164 -10.125 794 HG2 ARG 30 2HG ARG 30 1.472 -3.068 -12.386 795 HG3 ARG 30 3HG ARG 30 2.392 -1.749 -13.111 796 HD2 ARG 30 2HD ARG 30 4.423 -2.565 -11.918 797 HD3 ARG 30 3HD ARG 30 3.482 -3.937 -11.316 798 HE ARG 30 HE ARG 30 3.125 -4.080 -14.000 799 HH11 ARG 30 1HH1 ARG 30 6.015 -3.897 -12.010 800 HH12 ARG 30 2HH1 ARG 30 6.994 -4.784 -13.133 801 HH21 ARG 30 1HH2 ARG 30 4.422 -5.239 -15.463 802 HH22 ARG 30 2HH2 ARG 30 6.085 -5.542 -15.088 803 H THR 31 H THR 31 -0.381 -2.071 -9.268 804 HA THR 31 HA THR 31 -1.738 -3.891 -11.015 805 HB THR 31 HB THR 31 -0.632 -4.615 -8.867 806 HG1 THR 31 HG1 THR 31 -3.337 -5.279 -9.437 807 HG21 THR 31 1HG2 THR 31 -3.151 -3.543 -7.540 808 HG22 THR 31 2HG2 THR 31 -1.536 -2.870 -7.326 809 HG23 THR 31 3HG2 THR 31 -1.893 -4.504 -6.767 810 H LEU 32 H LEU 32 -2.698 -1.138 -9.017 811 HA LEU 32 HA LEU 32 -5.506 -1.395 -9.403 812 HB2 LEU 32 2HB LEU 32 -4.478 0.073 -7.691 813 HB3 LEU 32 3HB LEU 32 -3.853 1.116 -8.946 814 HG LEU 32 HG LEU 32 -6.861 0.743 -8.762 815 HD11 LEU 32 1HD1 LEU 32 -7.071 2.578 -7.135 816 HD12 LEU 32 2HD1 LEU 32 -5.317 2.613 -6.937 817 HD13 LEU 32 3HD1 LEU 32 -6.233 1.192 -6.434 818 HD21 LEU 32 1HD2 LEU 32 -5.962 2.073 -10.631 819 HD22 LEU 32 2HD2 LEU 32 -5.157 3.151 -9.493 820 HD23 LEU 32 3HD2 LEU 32 -6.921 3.083 -9.549 821 H ALA 33 H ALA 33 -2.870 0.104 -11.258 822 HA ALA 33 HA ALA 33 -4.346 1.422 -13.238 823 HB1 ALA 33 1HB ALA 33 -1.924 1.745 -12.887 824 HB2 ALA 33 2HB ALA 33 -2.282 1.374 -14.572 825 HB3 ALA 33 3HB ALA 33 -1.608 0.126 -13.515 826 H ARG 34 H ARG 34 -3.023 -1.922 -13.259 827 HA ARG 34 HA ARG 34 -4.019 -2.561 -15.858 828 HB2 ARG 34 2HB ARG 34 -3.207 -4.820 -15.456 829 HB3 ARG 34 3HB ARG 34 -2.021 -3.654 -14.886 830 HG2 ARG 34 2HG ARG 34 -2.999 -4.017 -12.544 831 HG3 ARG 34 3HG ARG 34 -3.858 -5.397 -13.223 832 HD2 ARG 34 2HD ARG 34 -0.846 -5.016 -13.154 833 HD3 ARG 34 3HD ARG 34 -1.782 -6.080 -12.099 834 HE ARG 34 HE ARG 34 -2.111 -6.639 -14.916 835 HH11 ARG 34 1HH1 ARG 34 -0.144 -7.365 -12.094 836 HH12 ARG 34 2HH1 ARG 34 0.430 -8.866 -12.734 837 HH21 ARG 34 1HH2 ARG 34 -1.318 -8.612 -15.752 838 HH22 ARG 34 2HH2 ARG 34 -0.229 -9.577 -14.804 839 H LEU 35 H LEU 35 -5.302 -3.038 -12.574 840 HA LEU 35 HA LEU 35 -7.560 -4.621 -13.209 841 HB2 LEU 35 2HB LEU 35 -6.681 -4.175 -10.897 842 HB3 LEU 35 3HB LEU 35 -7.295 -2.540 -10.993 843 HG LEU 35 HG LEU 35 -9.208 -4.905 -11.231 844 HD11 LEU 35 1HD1 LEU 35 -9.622 -4.857 -8.823 845 HD12 LEU 35 2HD1 LEU 35 -8.329 -3.673 -8.605 846 HD13 LEU 35 3HD1 LEU 35 -7.951 -5.303 -9.168 847 HD21 LEU 35 1HD2 LEU 35 -9.643 -2.071 -10.208 848 HD22 LEU 35 2HD2 LEU 35 -10.875 -3.336 -10.281 849 HD23 LEU 35 3HD2 LEU 35 -10.169 -2.706 -11.767 850 H GLN 36 H GLN 36 -7.071 -1.096 -13.084 851 HA GLN 36 HA GLN 36 -9.694 -0.317 -13.780 852 HB2 GLN 36 2HB GLN 36 -7.047 1.162 -14.038 853 HB3 GLN 36 3HB GLN 36 -8.592 1.897 -14.465 854 HG2 GLN 36 2HG GLN 36 -7.807 0.868 -11.725 855 HG3 GLN 36 3HG GLN 36 -7.873 2.557 -12.214 856 HE21 GLN 36 1HE2 GLN 36 -9.302 1.176 -10.048 857 HE22 GLN 36 2HE2 GLN 36 -10.988 1.431 -10.335 858 H ARG 37 H ARG 37 -6.768 -0.907 -15.737 859 HA ARG 37 HA ARG 37 -7.848 -0.112 -18.223 860 HB2 ARG 37 2HB ARG 37 -5.519 -1.952 -17.566 861 HB3 ARG 37 3HB ARG 37 -5.956 -1.530 -19.221 862 HG2 ARG 37 2HG ARG 37 -5.070 0.390 -17.047 863 HG3 ARG 37 3HG ARG 37 -4.136 -0.108 -18.454 864 HD2 ARG 37 2HD ARG 37 -6.643 1.611 -18.422 865 HD3 ARG 37 3HD ARG 37 -5.010 2.102 -18.879 866 HE ARG 37 HE ARG 37 -5.338 0.296 -20.708 867 HH11 ARG 37 1HH1 ARG 37 -7.811 2.511 -19.604 868 HH12 ARG 37 2HH1 ARG 37 -8.662 2.498 -21.114 869 HH21 ARG 37 1HH2 ARG 37 -6.506 0.224 -22.653 870 HH22 ARG 37 2HH2 ARG 37 -7.926 1.209 -22.833 871 H ALA 38 H ALA 38 -8.032 -3.137 -16.474 872 HA ALA 38 HA ALA 38 -9.136 -4.740 -18.542 873 HB1 ALA 38 1HB ALA 38 -8.193 -5.721 -16.483 874 HB2 ALA 38 2HB ALA 38 -9.854 -6.259 -16.734 875 HB3 ALA 38 3HB ALA 38 -9.501 -5.015 -15.531 876 H LYS 39 H LYS 39 -10.704 -2.898 -15.887 877 HA LYS 39 HA LYS 39 -13.369 -3.563 -16.768 878 HB2 LYS 39 2HB LYS 39 -14.145 -2.293 -14.854 879 HB3 LYS 39 3HB LYS 39 -12.790 -3.310 -14.385 880 HG2 LYS 39 2HG LYS 39 -11.292 -1.281 -14.557 881 HG3 LYS 39 3HG LYS 39 -12.733 -0.298 -14.822 882 HD2 LYS 39 2HD LYS 39 -12.083 -1.932 -12.335 883 HD3 LYS 39 3HD LYS 39 -12.038 -0.176 -12.479 884 HE2 LYS 39 2HE LYS 39 -14.540 -1.888 -12.714 885 HE3 LYS 39 3HE LYS 39 -14.064 -0.954 -11.297 886 HZ1 LYS 39 1HZ LYS 39 -15.712 0.185 -12.639 887 HZ2 LYS 39 2HZ LYS 39 -14.663 0.179 -13.963 888 HZ3 LYS 39 3HZ LYS 39 -14.265 1.058 -12.575 889 H ARG 40 H ARG 40 -11.231 -0.884 -17.376 890 HA ARG 40 HA ARG 40 -13.272 0.992 -18.213 891 HB2 ARG 40 2HB ARG 40 -10.231 1.095 -18.404 892 HB3 ARG 40 3HB ARG 40 -11.268 2.363 -19.048 893 HG2 ARG 40 2HG ARG 40 -11.181 1.527 -16.133 894 HG3 ARG 40 3HG ARG 40 -10.309 2.899 -16.815 895 HD2 ARG 40 2HD ARG 40 -13.333 2.581 -16.742 896 HD3 ARG 40 3HD ARG 40 -12.366 3.611 -15.682 897 HE ARG 40 HE ARG 40 -11.951 4.212 -18.463 898 HH11 ARG 40 1HH1 ARG 40 -14.077 4.858 -15.736 899 HH12 ARG 40 2HH1 ARG 40 -14.639 6.365 -16.380 900 HH21 ARG 40 1HH2 ARG 40 -12.729 6.201 -19.295 901 HH22 ARG 40 2HH2 ARG 40 -13.879 7.124 -18.384 902 H ALA 41 H ALA 41 -10.773 -0.995 -19.823 903 HA ALA 41 HA ALA 41 -11.409 -0.080 -22.467 904 HB1 ALA 41 1HB ALA 41 -9.801 -1.774 -23.233 905 HB2 ALA 41 2HB ALA 41 -9.747 -2.468 -21.610 906 HB3 ALA 41 3HB ALA 41 -9.139 -0.836 -21.889 907 H GLU 42 H GLU 42 -12.304 -2.901 -20.499 908 HA GLU 42 HA GLU 42 -13.650 -4.726 -20.805 909 HB2 GLU 42 2HB GLU 42 -15.308 -2.671 -22.300 910 HB3 GLU 42 3HB GLU 42 -15.919 -4.216 -21.715 911 HG2 GLU 42 2HG GLU 42 -15.372 -3.506 -19.389 912 HG3 GLU 42 3HG GLU 42 -14.884 -1.929 -20.022 913 H LYS 43 H LYS 43 -11.624 -4.457 -22.732 914 HA LYS 43 HA LYS 43 -12.129 -5.000 -25.377 915 HB2 LYS 43 2HB LYS 43 -9.866 -5.960 -25.482 916 HB3 LYS 43 3HB LYS 43 -9.862 -4.535 -24.458 917 HG2 LYS 43 2HG LYS 43 -10.018 -7.342 -23.326 918 HG3 LYS 43 3HG LYS 43 -8.485 -6.544 -23.660 919 HD2 LYS 43 2HD LYS 43 -9.033 -4.768 -22.026 920 HD3 LYS 43 3HD LYS 43 -10.613 -5.507 -21.736 921 HE2 LYS 43 2HE LYS 43 -8.869 -6.028 -19.981 922 HE3 LYS 43 3HE LYS 43 -9.608 -7.448 -20.727 923 HZ1 LYS 43 1HZ LYS 43 -7.228 -7.694 -20.542 924 HZ2 LYS 43 2HZ LYS 43 -6.965 -6.296 -21.435 925 HZ3 LYS 43 3HZ LYS 43 -7.676 -7.646 -22.165 926 H ALA 44 H ALA 44 -12.517 -7.148 -22.644 927 HA ALA 44 HA ALA 44 -12.532 -9.617 -24.103 928 HB1 ALA 44 1HB ALA 44 -13.256 -10.606 -21.986 929 HB2 ALA 44 2HB ALA 44 -13.522 -8.997 -21.310 930 HB3 ALA 44 3HB ALA 44 -11.890 -9.516 -21.741 931 H LYS 45 H LYS 45 -14.982 -7.286 -23.126 932 HA LYS 45 HA LYS 45 -17.284 -8.912 -23.315 933 HB2 LYS 45 2HB LYS 45 -17.280 -6.796 -22.087 934 HB3 LYS 45 3HB LYS 45 -16.936 -5.901 -23.560 935 HG2 LYS 45 2HG LYS 45 -19.150 -6.371 -24.450 936 HG3 LYS 45 3HG LYS 45 -19.497 -7.474 -23.114 937 HD2 LYS 45 2HD LYS 45 -20.616 -5.274 -22.816 938 HD3 LYS 45 3HD LYS 45 -19.470 -5.617 -21.518 939 HE2 LYS 45 2HE LYS 45 -17.813 -4.119 -22.570 940 HE3 LYS 45 3HE LYS 45 -18.922 -3.812 -23.908 941 HZ1 LYS 45 1HZ LYS 45 -20.429 -2.726 -22.428 942 HZ2 LYS 45 2HZ LYS 45 -18.893 -2.054 -22.185 943 HZ3 LYS 45 3HZ LYS 45 -19.515 -3.162 -21.073 944 H ASN 46 H ASN 46 -15.837 -6.613 -25.686 945 HA ASN 46 HA ASN 46 -15.762 -6.548 -27.957 946 HB2 ASN 46 2HB ASN 46 -16.901 -9.361 -27.821 947 HB3 ASN 46 3HB ASN 46 -16.489 -8.585 -29.340 948 HD21 ASN 46 1HD2 ASN 46 -14.676 -8.510 -26.289 949 HD22 ASN 46 2HD2 ASN 46 -13.277 -9.287 -26.926 950 H SER 47 H SER 47 -18.728 -6.647 -26.351 951 HA SER 47 HA SER 47 -20.466 -6.923 -28.640 952 HB2 SER 47 2HB SER 47 -21.161 -6.158 -25.773 953 HB3 SER 47 3HB SER 47 -22.280 -6.726 -27.016 954 HG SER 47 HG SER 47 -20.187 -8.436 -26.685 955 H LYS 48 H LYS 48 -20.282 -4.255 -26.192 956 HA LYS 48 HA LYS 48 -20.050 -2.202 -28.184 957 HB2 LYS 48 2HB LYS 48 -22.429 -2.778 -28.516 958 HB3 LYS 48 3HB LYS 48 -22.759 -2.572 -26.806 959 HG2 LYS 48 2HG LYS 48 -21.686 -0.226 -28.360 960 HG3 LYS 48 3HG LYS 48 -23.373 -0.679 -28.592 961 HD2 LYS 48 2HD LYS 48 -23.842 -0.337 -26.208 962 HD3 LYS 48 3HD LYS 48 -22.132 -0.046 -25.878 963 HE2 LYS 48 2HE LYS 48 -23.315 2.075 -25.932 964 HE3 LYS 48 3HE LYS 48 -22.230 1.977 -27.318 965 HZ1 LYS 48 1HZ LYS 48 -24.159 1.301 -28.653 966 HZ2 LYS 48 2HZ LYS 48 -24.317 2.847 -27.996 967 HZ3 LYS 48 3HZ LYS 48 -25.154 1.554 -27.312 968 H LYS 49 H LYS 49 -19.380 -0.311 -27.289 969 HA LYS 49 HA LYS 49 -19.737 0.292 -24.427 970 HB2 LYS 49 2HB LYS 49 -17.134 0.561 -25.986 971 HB3 LYS 49 3HB LYS 49 -17.409 1.258 -24.394 972 HG2 LYS 49 2HG LYS 49 -17.568 -0.952 -23.391 973 HG3 LYS 49 3HG LYS 49 -17.479 -1.714 -24.990 974 HD2 LYS 49 2HD LYS 49 -15.291 -1.770 -23.817 975 HD3 LYS 49 3HD LYS 49 -15.222 -0.860 -25.327 976 HE2 LYS 49 2HE LYS 49 -13.963 0.294 -23.561 977 HE3 LYS 49 3HE LYS 49 -15.356 1.267 -24.034 978 HZ1 LYS 49 1HZ LYS 49 -16.534 0.417 -22.102 979 HZ2 LYS 49 2HZ LYS 49 -15.100 1.195 -21.651 980 HZ3 LYS 49 3HZ LYS 49 -15.184 -0.491 -21.656 981 H ALA 50 H ALA 50 -19.037 2.676 -24.108 982 HA ALA 50 HA ALA 50 -20.725 4.327 -25.690 983 HB1 ALA 50 1HB ALA 50 -18.652 5.114 -23.608 984 HB2 ALA 50 2HB ALA 50 -20.343 4.737 -23.280 985 HB3 ALA 50 3HB ALA 50 -19.929 6.160 -24.239 986 H ILE 51 H ILE 51 -20.145 4.737 -27.772 987 HA ILE 51 HA ILE 51 -17.413 5.225 -28.633 988 HB ILE 51 HB ILE 51 -18.398 5.629 -30.904 989 HG12 ILE 51 2HG1 ILE 51 -20.967 4.877 -31.100 990 HG13 ILE 51 3HG1 ILE 51 -21.061 5.421 -29.433 991 HG21 ILE 51 1HG2 ILE 51 -19.176 3.306 -31.295 992 HG22 ILE 51 2HG2 ILE 51 -19.344 3.073 -29.555 993 HG23 ILE 51 3HG2 ILE 51 -17.750 3.364 -30.254 994 HD11 ILE 51 1HD1 ILE 51 -21.861 7.092 -31.021 995 HD12 ILE 51 2HD1 ILE 51 -20.275 7.132 -31.794 996 HD13 ILE 51 3HD1 ILE 51 -20.461 7.673 -30.123 997 H GLU 52 H GLU 52 -19.819 7.107 -27.241 998 HA GLU 52 HA GLU 52 -19.225 9.643 -28.476 999 HB2 GLU 52 2HB GLU 52 -20.569 9.329 -25.758 1000 HB3 GLU 52 3HB GLU 52 -20.754 10.630 -26.920 1001 HG2 GLU 52 2HG GLU 52 -22.796 9.495 -27.059 1002 HG3 GLU 52 3HG GLU 52 -21.890 8.846 -28.429 1003 H ASP 53 H ASP 53 -18.210 11.417 -27.344 1004 HA ASP 53 HA ASP 53 -15.758 10.756 -26.030 1005 HB2 ASP 53 2HB ASP 53 -15.405 13.195 -25.847 1006 HB3 ASP 53 3HB ASP 53 -16.006 12.799 -27.453 1007 H GLY 54 H GLY 54 -15.124 11.478 -23.867 1008 HA2 GLY 54 2HA GLY 54 -17.322 11.460 -21.848 1009 HA3 GLY 54 3HA GLY 54 -15.841 10.531 -21.673 1010 H VAL 55 H VAL 55 -16.672 13.898 -22.506 1011 HA VAL 55 HA VAL 55 -15.029 14.841 -20.237 1012 HB VAL 55 HB VAL 55 -13.679 15.171 -22.278 1013 HG11 VAL 55 1HG1 VAL 55 -15.456 15.304 -23.968 1014 HG12 VAL 55 2HG1 VAL 55 -14.366 16.686 -24.095 1015 HG13 VAL 55 3HG1 VAL 55 -15.950 16.879 -23.342 1016 HG21 VAL 55 1HG2 VAL 55 -13.208 17.597 -22.058 1017 HG22 VAL 55 2HG2 VAL 55 -13.427 16.827 -20.485 1018 HG23 VAL 55 3HG2 VAL 55 -14.725 17.803 -21.175 1019 HA PRO 56 HA PRO 56 -18.916 17.158 -19.571 1020 HB2 PRO 56 2HB PRO 56 -18.309 18.279 -17.164 1021 HB3 PRO 56 3HB PRO 56 -18.687 16.549 -17.313 1022 HG2 PRO 56 2HG PRO 56 -15.991 17.860 -17.113 1023 HG3 PRO 56 3HG PRO 56 -16.593 16.406 -16.286 1024 HD2 PRO 56 2HD PRO 56 -15.018 16.292 -18.537 1025 HD3 PRO 56 3HD PRO 56 -16.200 15.033 -18.119 1026 H GLN 57 H GLN 57 -19.543 19.385 -19.602 1027 HA GLN 57 HA GLN 57 -17.810 21.123 -21.039 1028 HB2 GLN 57 2HB GLN 57 -19.551 22.795 -21.009 1029 HB3 GLN 57 3HB GLN 57 -20.306 21.238 -21.272 1030 HG2 GLN 57 2HG GLN 57 -20.257 22.677 -18.607 1031 HG3 GLN 57 3HG GLN 57 -21.581 22.770 -19.760 1032 HE21 GLN 57 1HE2 GLN 57 -19.911 20.722 -17.470 1033 HE22 GLN 57 2HE2 GLN 57 -21.153 19.529 -17.350 1034 HA PRO 58 HA PRO 58 -15.401 22.740 -17.565 1035 HB2 PRO 58 2HB PRO 58 -14.569 25.113 -18.878 1036 HB3 PRO 58 3HB PRO 58 -13.726 23.554 -18.919 1037 HG2 PRO 58 2HG PRO 58 -15.574 24.739 -20.934 1038 HG3 PRO 58 3HG PRO 58 -14.131 23.734 -21.178 1039 HD2 PRO 58 2HD PRO 58 -16.599 22.701 -21.456 1040 HD3 PRO 58 3HD PRO 58 -15.271 21.742 -20.769 1041 H GLU 59 H GLU 59 -16.968 25.497 -19.293 1042 HA GLU 59 HA GLU 59 -18.422 26.178 -16.788 1043 HB2 GLU 59 2HB GLU 59 -17.254 28.176 -18.774 1044 HB3 GLU 59 3HB GLU 59 -18.274 28.583 -17.405 1045 HG2 GLU 59 2HG GLU 59 -16.073 29.128 -16.742 1046 HG3 GLU 59 3HG GLU 59 -16.464 27.627 -15.904 1047 H ALA 60 H ALA 60 -18.353 27.085 -20.271 1048 HA ALA 60 HA ALA 60 -19.931 27.442 -21.844 1049 HB1 ALA 60 1HB ALA 60 -21.650 25.480 -20.273 1050 HB2 ALA 60 2HB ALA 60 -20.448 25.038 -21.483 1051 HB3 ALA 60 3HB ALA 60 -21.880 25.952 -21.960 1052 H LEU 61 H LEU 61 -19.837 29.092 -19.355 1053 HA LEU 61 HA LEU 61 -22.496 29.769 -18.528 1054 HB2 LEU 61 2HB LEU 61 -20.463 30.019 -17.080 1055 HB3 LEU 61 3HB LEU 61 -19.900 31.316 -18.121 1056 HG LEU 61 HG LEU 61 -21.996 32.627 -17.493 1057 HD11 LEU 61 1HD1 LEU 61 -22.382 30.437 -15.432 1058 HD12 LEU 61 2HD1 LEU 61 -23.445 30.805 -16.792 1059 HD13 LEU 61 3HD1 LEU 61 -23.257 31.971 -15.485 1060 HD21 LEU 61 1HD2 LEU 61 -20.168 31.918 -15.181 1061 HD22 LEU 61 2HD2 LEU 61 -21.171 33.364 -15.313 1062 HD23 LEU 61 3HD2 LEU 61 -19.836 33.113 -16.435 1063 H GLU 62 H GLU 62 -23.617 30.290 -20.441 1064 HA GLU 62 HA GLU 62 -23.023 32.890 -21.716 1065 HB2 GLU 62 2HB GLU 62 -23.728 30.299 -23.166 1066 HB3 GLU 62 3HB GLU 62 -23.644 31.882 -23.931 1067 HG2 GLU 62 2HG GLU 62 -21.235 32.013 -23.492 1068 HG3 GLU 62 3HG GLU 62 -21.290 30.491 -22.602 Start of MODEL 7 1 H1 MET 1 1H MET 1 6.837 -7.932 -15.561 2 H2 MET 1 2H MET 1 8.017 -8.833 -16.336 3 H3 MET 1 3H MET 1 8.448 -7.427 -15.493 4 HA MET 1 HA MET 1 9.043 -9.430 -14.281 5 HB2 MET 1 2HB MET 1 8.389 -7.242 -13.139 6 HB3 MET 1 3HB MET 1 6.764 -7.878 -12.951 7 HG2 MET 1 2HG MET 1 7.663 -9.688 -11.521 8 HG3 MET 1 3HG MET 1 9.277 -8.996 -11.685 9 HE1 MET 1 1HE MET 1 8.058 -9.607 -8.844 10 HE2 MET 1 2HE MET 1 8.425 -8.117 -7.973 11 HE3 MET 1 3HE MET 1 9.620 -8.817 -9.061 12 H GLU 2 H GLU 2 8.090 -11.183 -12.861 13 HA GLU 2 HA GLU 2 6.259 -12.925 -13.995 14 HB2 GLU 2 2HB GLU 2 6.163 -13.966 -11.647 15 HB3 GLU 2 3HB GLU 2 7.765 -13.812 -12.358 16 HG2 GLU 2 2HG GLU 2 8.207 -11.816 -10.993 17 HG3 GLU 2 3HG GLU 2 6.584 -11.902 -10.318 18 H GLU 3 H GLU 3 4.468 -11.830 -14.663 19 HA GLU 3 HA GLU 3 2.399 -11.041 -12.689 20 HB2 GLU 3 2HB GLU 3 3.186 -9.507 -15.208 21 HB3 GLU 3 3HB GLU 3 1.827 -9.099 -14.169 22 HG2 GLU 3 2HG GLU 3 3.247 -8.347 -12.421 23 HG3 GLU 3 3HG GLU 3 4.660 -9.129 -13.121 24 H LEU 4 H LEU 4 0.324 -10.510 -14.147 25 HA LEU 4 HA LEU 4 -0.577 -12.871 -15.449 26 HB2 LEU 4 2HB LEU 4 -1.772 -10.072 -15.463 27 HB3 LEU 4 3HB LEU 4 -2.607 -11.529 -15.984 28 HG LEU 4 HG LEU 4 -1.673 -10.962 -13.141 29 HD11 LEU 4 1HD1 LEU 4 -4.477 -10.938 -14.297 30 HD12 LEU 4 2HD1 LEU 4 -3.545 -9.526 -13.790 31 HD13 LEU 4 3HD1 LEU 4 -4.047 -10.722 -12.599 32 HD21 LEU 4 1HD2 LEU 4 -3.269 -13.308 -14.224 33 HD22 LEU 4 2HD2 LEU 4 -2.928 -12.986 -12.524 34 HD23 LEU 4 3HD2 LEU 4 -1.607 -13.357 -13.626 35 H SER 5 H SER 5 0.470 -13.441 -17.283 36 HA SER 5 HA SER 5 1.155 -11.417 -19.324 37 HB2 SER 5 2HB SER 5 2.063 -14.329 -19.116 38 HB3 SER 5 3HB SER 5 2.723 -13.086 -20.186 39 HG SER 5 HG SER 5 2.696 -12.904 -17.365 40 H GLY 6 H GLY 6 -0.610 -11.107 -20.594 41 HA2 GLY 6 2HA GLY 6 -1.810 -11.626 -22.541 42 HA3 GLY 6 3HA GLY 6 -1.571 -13.339 -22.244 43 H LYS 7 H LYS 7 -2.653 -14.010 -20.017 44 HA LYS 7 HA LYS 7 -5.466 -13.686 -20.368 45 HB2 LYS 7 2HB LYS 7 -5.747 -15.166 -18.447 46 HB3 LYS 7 3HB LYS 7 -4.554 -15.819 -19.547 47 HG2 LYS 7 2HG LYS 7 -3.533 -14.218 -17.228 48 HG3 LYS 7 3HG LYS 7 -4.232 -15.785 -16.867 49 HD2 LYS 7 2HD LYS 7 -2.046 -15.478 -18.949 50 HD3 LYS 7 3HD LYS 7 -1.672 -15.652 -17.234 51 HE2 LYS 7 2HE LYS 7 -1.517 -17.822 -18.331 52 HE3 LYS 7 3HE LYS 7 -2.874 -17.838 -17.208 53 HZ1 LYS 7 1HZ LYS 7 -4.383 -17.584 -19.058 54 HZ2 LYS 7 2HZ LYS 7 -3.368 -18.903 -19.351 55 HZ3 LYS 7 3HZ LYS 7 -3.100 -17.441 -20.148 56 HA PRO 8 HA PRO 8 -6.124 -10.347 -17.346 57 HB2 PRO 8 2HB PRO 8 -8.808 -10.464 -17.068 58 HB3 PRO 8 3HB PRO 8 -8.076 -9.971 -18.608 59 HG2 PRO 8 2HG PRO 8 -9.187 -12.658 -17.848 60 HG3 PRO 8 3HG PRO 8 -9.437 -11.718 -19.337 61 HD2 PRO 8 2HD PRO 8 -7.607 -13.758 -19.155 62 HD3 PRO 8 3HD PRO 8 -7.429 -12.373 -20.257 63 H LEU 9 H LEU 9 -7.378 -10.088 -15.197 64 HA LEU 9 HA LEU 9 -6.645 -12.224 -13.394 65 HB2 LEU 9 2HB LEU 9 -7.626 -10.619 -11.634 66 HB3 LEU 9 3HB LEU 9 -6.197 -10.113 -12.504 67 HG LEU 9 HG LEU 9 -7.782 -8.713 -14.008 68 HD11 LEU 9 1HD1 LEU 9 -9.732 -9.178 -11.732 69 HD12 LEU 9 2HD1 LEU 9 -9.935 -9.684 -13.410 70 HD13 LEU 9 3HD1 LEU 9 -9.905 -7.971 -13.009 71 HD21 LEU 9 1HD2 LEU 9 -7.797 -6.830 -12.426 72 HD22 LEU 9 2HD2 LEU 9 -6.269 -7.704 -12.390 73 HD23 LEU 9 3HD2 LEU 9 -7.445 -7.939 -11.095 74 H SER 10 H SER 10 -7.990 -13.484 -12.158 75 HA SER 10 HA SER 10 -10.668 -14.046 -13.124 76 HB2 SER 10 2HB SER 10 -9.075 -15.252 -10.814 77 HB3 SER 10 3HB SER 10 -10.584 -15.902 -11.467 78 HG SER 10 HG SER 10 -9.478 -16.108 -13.491 79 H TYR 11 H TYR 11 -12.354 -14.485 -11.306 80 HA TYR 11 HA TYR 11 -13.171 -12.115 -10.066 81 HB2 TYR 11 2HB TYR 11 -14.759 -13.910 -10.595 82 HB3 TYR 11 3HB TYR 11 -13.941 -15.024 -9.507 83 HD1 TYR 11 HD1 TYR 11 -16.009 -11.911 -9.605 84 HD2 TYR 11 HD2 TYR 11 -14.527 -15.107 -7.181 85 HE1 TYR 11 HE1 TYR 11 -17.453 -11.192 -7.750 86 HE2 TYR 11 HE2 TYR 11 -15.969 -14.380 -5.335 87 HH TYR 11 HH TYR 11 -18.462 -12.273 -5.624 88 H ALA 12 H ALA 12 -11.535 -14.963 -8.724 89 HA ALA 12 HA ALA 12 -11.298 -14.217 -6.043 90 HB1 ALA 12 1HB ALA 12 -9.387 -15.909 -7.680 91 HB2 ALA 12 2HB ALA 12 -10.841 -16.484 -6.867 92 HB3 ALA 12 3HB ALA 12 -9.490 -15.866 -5.917 93 H GLU 13 H GLU 13 -9.221 -13.515 -8.813 94 HA GLU 13 HA GLU 13 -7.085 -12.318 -7.371 95 HB2 GLU 13 2HB GLU 13 -7.857 -11.996 -10.293 96 HB3 GLU 13 3HB GLU 13 -6.307 -11.557 -9.585 97 HG2 GLU 13 2HG GLU 13 -7.450 -14.347 -9.773 98 HG3 GLU 13 3HG GLU 13 -6.164 -13.682 -10.779 99 H LYS 14 H LYS 14 -9.989 -11.074 -8.920 100 HA LYS 14 HA LYS 14 -9.348 -8.305 -8.811 101 HB2 LYS 14 2HB LYS 14 -10.966 -9.335 -10.402 102 HB3 LYS 14 3HB LYS 14 -12.055 -9.696 -9.079 103 HG2 LYS 14 2HG LYS 14 -11.268 -6.818 -9.549 104 HG3 LYS 14 3HG LYS 14 -12.414 -7.565 -10.653 105 HD2 LYS 14 2HD LYS 14 -12.759 -7.275 -7.643 106 HD3 LYS 14 3HD LYS 14 -13.596 -6.343 -8.885 107 HE2 LYS 14 2HE LYS 14 -14.642 -8.450 -9.727 108 HE3 LYS 14 3HE LYS 14 -13.852 -9.338 -8.423 109 HZ1 LYS 14 1HZ LYS 14 -15.824 -7.150 -8.059 110 HZ2 LYS 14 2HZ LYS 14 -15.091 -8.033 -6.824 111 HZ3 LYS 14 3HZ LYS 14 -16.151 -8.800 -7.892 112 H GLU 15 H GLU 15 -11.126 -10.510 -6.634 113 HA GLU 15 HA GLU 15 -12.042 -8.396 -4.885 114 HB2 GLU 15 2HB GLU 15 -13.023 -10.129 -3.500 115 HB3 GLU 15 3HB GLU 15 -13.355 -10.489 -5.190 116 HG2 GLU 15 2HG GLU 15 -11.499 -12.139 -5.184 117 HG3 GLU 15 3HG GLU 15 -11.239 -11.816 -3.472 118 H LYS 16 H LYS 16 -9.394 -10.814 -4.760 119 HA LYS 16 HA LYS 16 -8.446 -10.011 -2.189 120 HB2 LYS 16 2HB LYS 16 -6.493 -11.336 -2.566 121 HB3 LYS 16 3HB LYS 16 -7.849 -12.201 -3.273 122 HG2 LYS 16 2HG LYS 16 -7.170 -11.410 -5.523 123 HG3 LYS 16 3HG LYS 16 -5.795 -10.578 -4.796 124 HD2 LYS 16 2HD LYS 16 -5.125 -12.731 -5.796 125 HD3 LYS 16 3HD LYS 16 -4.850 -12.723 -4.053 126 HE2 LYS 16 2HE LYS 16 -6.844 -14.073 -3.689 127 HE3 LYS 16 3HE LYS 16 -7.275 -13.960 -5.399 128 HZ1 LYS 16 1HZ LYS 16 -5.317 -15.213 -5.967 129 HZ2 LYS 16 2HZ LYS 16 -6.230 -16.077 -4.838 130 HZ3 LYS 16 3HZ LYS 16 -4.827 -15.279 -4.348 131 H LEU 17 H LEU 17 -8.050 -8.786 -5.430 132 HA LEU 17 HA LEU 17 -5.798 -7.119 -4.897 133 HB2 LEU 17 2HB LEU 17 -6.438 -7.857 -7.174 134 HB3 LEU 17 3HB LEU 17 -7.882 -6.855 -7.092 135 HG LEU 17 HG LEU 17 -6.552 -4.813 -7.063 136 HD11 LEU 17 1HD1 LEU 17 -4.720 -5.537 -5.624 137 HD12 LEU 17 2HD1 LEU 17 -4.100 -4.836 -7.113 138 HD13 LEU 17 3HD1 LEU 17 -4.092 -6.586 -6.906 139 HD21 LEU 17 1HD2 LEU 17 -6.968 -5.770 -9.288 140 HD22 LEU 17 2HD2 LEU 17 -5.477 -6.708 -9.187 141 HD23 LEU 17 3HD2 LEU 17 -5.411 -4.945 -9.246 142 H LYS 18 H LYS 18 -9.348 -6.412 -5.038 143 HA LYS 18 HA LYS 18 -9.033 -3.638 -4.538 144 HB2 LYS 18 2HB LYS 18 -11.495 -3.597 -4.103 145 HB3 LYS 18 3HB LYS 18 -11.057 -4.373 -5.611 146 HG2 LYS 18 2HG LYS 18 -12.751 -5.748 -4.821 147 HG3 LYS 18 3HG LYS 18 -11.304 -6.603 -4.300 148 HD2 LYS 18 2HD LYS 18 -11.593 -5.597 -2.017 149 HD3 LYS 18 3HD LYS 18 -13.090 -4.850 -2.569 150 HE2 LYS 18 2HE LYS 18 -14.094 -7.049 -2.936 151 HE3 LYS 18 3HE LYS 18 -12.571 -7.842 -2.520 152 HZ1 LYS 18 1HZ LYS 18 -12.763 -6.865 -0.287 153 HZ2 LYS 18 2HZ LYS 18 -14.047 -7.900 -0.662 154 HZ3 LYS 18 3HZ LYS 18 -14.276 -6.229 -0.703 155 H GLU 19 H GLU 19 -9.423 -6.422 -2.354 156 HA GLU 19 HA GLU 19 -9.612 -4.811 0.041 157 HB2 GLU 19 2HB GLU 19 -9.397 -6.835 1.314 158 HB3 GLU 19 3HB GLU 19 -10.438 -7.187 -0.059 159 HG2 GLU 19 2HG GLU 19 -8.588 -8.312 -1.205 160 HG3 GLU 19 3HG GLU 19 -7.494 -7.903 0.109 161 H LYS 20 H LYS 20 -6.955 -6.270 -1.811 162 HA LYS 20 HA LYS 20 -4.800 -5.710 -0.103 163 HB2 LYS 20 2HB LYS 20 -4.133 -7.047 -1.877 164 HB3 LYS 20 3HB LYS 20 -5.113 -6.188 -3.052 165 HG2 LYS 20 2HG LYS 20 -3.464 -4.415 -3.231 166 HG3 LYS 20 3HG LYS 20 -2.507 -5.101 -1.912 167 HD2 LYS 20 2HD LYS 20 -3.032 -6.520 -4.556 168 HD3 LYS 20 3HD LYS 20 -1.598 -5.553 -4.225 169 HE2 LYS 20 2HE LYS 20 -2.413 -8.027 -2.668 170 HE3 LYS 20 3HE LYS 20 -1.190 -7.986 -3.936 171 HZ1 LYS 20 1HZ LYS 20 -0.174 -7.846 -1.759 172 HZ2 LYS 20 2HZ LYS 20 -1.088 -6.475 -1.385 173 HZ3 LYS 20 3HZ LYS 20 0.069 -6.403 -2.608 174 H LEU 21 H LEU 21 -6.360 -3.694 -2.576 175 HA LEU 21 HA LEU 21 -4.540 -1.516 -2.444 176 HB2 LEU 21 2HB LEU 21 -7.421 -1.526 -3.442 177 HB3 LEU 21 3HB LEU 21 -6.229 -0.276 -3.758 178 HG LEU 21 HG LEU 21 -6.163 -3.129 -4.804 179 HD11 LEU 21 1HD1 LEU 21 -7.772 -1.710 -5.973 180 HD12 LEU 21 2HD1 LEU 21 -6.417 -2.124 -7.018 181 HD13 LEU 21 3HD1 LEU 21 -6.510 -0.516 -6.295 182 HD21 LEU 21 1HD2 LEU 21 -4.145 -2.531 -6.043 183 HD22 LEU 21 2HD2 LEU 21 -3.878 -2.424 -4.307 184 HD23 LEU 21 3HD2 LEU 21 -4.108 -0.954 -5.255 185 H ALA 22 H ALA 22 -7.683 -2.179 -0.935 186 HA ALA 22 HA ALA 22 -7.952 0.302 0.468 187 HB1 ALA 22 1HB ALA 22 -9.239 -2.408 1.030 188 HB2 ALA 22 2HB ALA 22 -9.886 -1.147 -0.022 189 HB3 ALA 22 3HB ALA 22 -9.756 -0.861 1.711 190 H PHE 23 H PHE 23 -6.496 -2.818 1.259 191 HA PHE 23 HA PHE 23 -6.102 -2.415 4.045 192 HB2 PHE 23 2HB PHE 23 -6.058 -4.672 3.115 193 HB3 PHE 23 3HB PHE 23 -4.690 -4.275 2.082 194 HD1 PHE 23 HD1 PHE 23 -5.692 -4.538 5.691 195 HD2 PHE 23 HD2 PHE 23 -2.484 -4.692 2.860 196 HE1 PHE 23 HE1 PHE 23 -4.151 -5.278 7.461 197 HE2 PHE 23 HE2 PHE 23 -0.959 -5.432 4.639 198 HZ PHE 23 HZ PHE 23 -1.789 -5.726 6.936 199 H LEU 24 H LEU 24 -3.842 -2.194 1.288 200 HA LEU 24 HA LEU 24 -1.666 -1.233 2.798 201 HB2 LEU 24 2HB LEU 24 -0.521 -0.842 0.700 202 HB3 LEU 24 3HB LEU 24 -1.321 -2.388 0.681 203 HG LEU 24 HG LEU 24 -3.175 -1.180 -0.729 204 HD11 LEU 24 1HD1 LEU 24 -0.900 0.774 -1.187 205 HD12 LEU 24 2HD1 LEU 24 -2.457 1.131 -0.436 206 HD13 LEU 24 3HD1 LEU 24 -2.386 0.682 -2.133 207 HD21 LEU 24 1HD2 LEU 24 -0.455 -1.737 -1.962 208 HD22 LEU 24 2HD2 LEU 24 -1.985 -1.637 -2.837 209 HD23 LEU 24 3HD2 LEU 24 -1.731 -2.920 -1.658 210 H LYS 25 H LYS 25 -4.334 0.374 1.186 211 HA LYS 25 HA LYS 25 -3.372 3.035 1.247 212 HB2 LYS 25 2HB LYS 25 -5.249 2.326 -0.148 213 HB3 LYS 25 3HB LYS 25 -6.223 1.955 1.269 214 HG2 LYS 25 2HG LYS 25 -6.421 4.290 1.838 215 HG3 LYS 25 3HG LYS 25 -5.229 4.755 0.620 216 HD2 LYS 25 2HD LYS 25 -7.993 3.590 0.093 217 HD3 LYS 25 3HD LYS 25 -7.501 5.263 -0.172 218 HE2 LYS 25 2HE LYS 25 -5.873 4.488 -1.889 219 HE3 LYS 25 3HE LYS 25 -6.422 2.830 -1.639 220 HZ1 LYS 25 1HZ LYS 25 -8.628 3.503 -2.380 221 HZ2 LYS 25 2HZ LYS 25 -7.464 3.815 -3.567 222 HZ3 LYS 25 3HZ LYS 25 -8.078 5.082 -2.627 223 H LYS 26 H LYS 26 -5.487 1.275 3.568 224 HA LYS 26 HA LYS 26 -5.860 3.541 5.278 225 HB2 LYS 26 2HB LYS 26 -6.963 2.010 6.837 226 HB3 LYS 26 3HB LYS 26 -7.524 1.726 5.197 227 HG2 LYS 26 2HG LYS 26 -6.035 -0.253 5.044 228 HG3 LYS 26 3HG LYS 26 -5.529 0.011 6.712 229 HD2 LYS 26 2HD LYS 26 -7.877 -0.344 7.466 230 HD3 LYS 26 3HD LYS 26 -8.362 -0.628 5.790 231 HE2 LYS 26 2HE LYS 26 -6.838 -2.593 5.699 232 HE3 LYS 26 3HE LYS 26 -6.404 -2.315 7.391 233 HZ1 LYS 26 1HZ LYS 26 -8.659 -2.728 8.040 234 HZ2 LYS 26 2HZ LYS 26 -8.125 -4.021 7.093 235 HZ3 LYS 26 3HZ LYS 26 -9.158 -2.856 6.429 236 H GLU 27 H GLU 27 -3.643 0.738 5.343 237 HA GLU 27 HA GLU 27 -2.503 1.314 7.888 238 HB2 GLU 27 2HB GLU 27 -0.746 -0.259 7.382 239 HB3 GLU 27 3HB GLU 27 -2.251 -0.924 6.764 240 HG2 GLU 27 2HG GLU 27 -1.642 -0.409 4.500 241 HG3 GLU 27 3HG GLU 27 -0.254 0.535 5.016 242 H TYR 28 H TYR 28 -1.658 2.205 4.540 243 HA TYR 28 HA TYR 28 0.756 3.542 4.877 244 HB2 TYR 28 2HB TYR 28 -0.143 3.046 2.662 245 HB3 TYR 28 3HB TYR 28 -1.544 4.070 2.934 246 HD1 TYR 28 HD1 TYR 28 2.135 4.086 2.287 247 HD2 TYR 28 HD2 TYR 28 -1.431 6.451 2.452 248 HE1 TYR 28 HE1 TYR 28 3.304 5.937 1.188 249 HE2 TYR 28 HE2 TYR 28 -0.244 8.307 1.351 250 HH TYR 28 HH TYR 28 2.043 9.088 1.034 251 H SER 29 H SER 29 -2.556 4.846 5.029 252 HA SER 29 HA SER 29 -1.893 7.543 5.457 253 HB2 SER 29 2HB SER 29 -4.406 6.027 6.283 254 HB3 SER 29 3HB SER 29 -4.260 7.787 6.175 255 HG SER 29 HG SER 29 -4.060 5.892 4.074 256 H ARG 30 H ARG 30 -2.767 4.978 7.800 257 HA ARG 30 HA ARG 30 -2.585 6.548 10.151 258 HB2 ARG 30 2HB ARG 30 -3.809 4.474 10.204 259 HB3 ARG 30 3HB ARG 30 -2.407 3.543 9.690 260 HG2 ARG 30 2HG ARG 30 -1.320 3.902 11.844 261 HG3 ARG 30 3HG ARG 30 -2.614 4.980 12.361 262 HD2 ARG 30 2HD ARG 30 -2.988 2.040 11.714 263 HD3 ARG 30 3HD ARG 30 -2.772 2.692 13.340 264 HE ARG 30 HE ARG 30 -5.036 3.513 11.611 265 HH11 ARG 30 1HH1 ARG 30 -3.879 2.226 14.667 266 HH12 ARG 30 2HH1 ARG 30 -5.436 2.282 15.422 267 HH21 ARG 30 1HH2 ARG 30 -7.070 3.613 12.625 268 HH22 ARG 30 2HH2 ARG 30 -7.252 3.069 14.261 269 H THR 31 H THR 31 -0.218 4.395 8.627 270 HA THR 31 HA THR 31 1.646 4.604 10.799 271 HB THR 31 HB THR 31 1.262 2.495 9.464 272 HG1 THR 31 HG1 THR 31 3.927 3.479 9.693 273 HG21 THR 31 1HG2 THR 31 1.336 3.499 7.179 274 HG22 THR 31 2HG2 THR 31 2.466 2.162 7.371 275 HG23 THR 31 3HG2 THR 31 3.060 3.820 7.406 276 H LEU 32 H LEU 32 1.340 6.059 7.588 277 HA LEU 32 HA LEU 32 3.882 7.366 7.581 278 HB2 LEU 32 2HB LEU 32 2.578 7.065 5.525 279 HB3 LEU 32 3HB LEU 32 1.297 8.093 6.130 280 HG LEU 32 HG LEU 32 4.064 9.306 5.820 281 HD11 LEU 32 1HD1 LEU 32 3.675 9.868 3.469 282 HD12 LEU 32 2HD1 LEU 32 2.196 8.904 3.461 283 HD13 LEU 32 3HD1 LEU 32 3.760 8.121 3.693 284 HD21 LEU 32 1HD2 LEU 32 2.800 11.347 5.243 285 HD22 LEU 32 2HD2 LEU 32 2.292 10.697 6.799 286 HD23 LEU 32 3HD2 LEU 32 1.284 10.448 5.373 287 H ALA 33 H ALA 33 0.626 8.245 8.711 288 HA ALA 33 HA ALA 33 1.033 10.892 9.476 289 HB1 ALA 33 1HB ALA 33 -0.905 10.564 10.955 290 HB2 ALA 33 2HB ALA 33 -0.752 8.814 10.786 291 HB3 ALA 33 3HB ALA 33 -1.174 9.804 9.384 292 H ARG 34 H ARG 34 1.480 7.914 11.386 293 HA ARG 34 HA ARG 34 2.342 9.240 13.778 294 HB2 ARG 34 2HB ARG 34 2.477 7.114 14.752 295 HB3 ARG 34 3HB ARG 34 1.230 6.910 13.539 296 HG2 ARG 34 2HG ARG 34 3.192 5.992 12.045 297 HG3 ARG 34 3HG ARG 34 4.032 5.809 13.581 298 HD2 ARG 34 2HD ARG 34 1.444 4.508 12.715 299 HD3 ARG 34 3HD ARG 34 2.990 3.715 13.061 300 HE ARG 34 HE ARG 34 2.395 4.883 15.423 301 HH11 ARG 34 1HH1 ARG 34 0.511 2.789 13.305 302 HH12 ARG 34 2HH1 ARG 34 -0.418 2.108 14.611 303 HH21 ARG 34 1HH2 ARG 34 1.176 4.006 17.110 304 HH22 ARG 34 2HH2 ARG 34 -0.040 2.807 16.771 305 H LEU 35 H LEU 35 3.952 7.822 10.990 306 HA LEU 35 HA LEU 35 6.643 7.904 11.791 307 HB2 LEU 35 2HB LEU 35 5.890 6.805 9.713 308 HB3 LEU 35 3HB LEU 35 5.417 8.354 9.042 309 HG LEU 35 HG LEU 35 7.795 9.061 8.955 310 HD11 LEU 35 1HD1 LEU 35 9.613 7.472 9.376 311 HD12 LEU 35 2HD1 LEU 35 8.454 6.281 9.973 312 HD13 LEU 35 3HD1 LEU 35 8.691 7.800 10.840 313 HD21 LEU 35 1HD2 LEU 35 7.287 6.402 7.576 314 HD22 LEU 35 2HD2 LEU 35 8.517 7.585 7.125 315 HD23 LEU 35 3HD2 LEU 35 6.813 7.996 6.982 316 H GLN 36 H GLN 36 4.492 10.384 10.441 317 HA GLN 36 HA GLN 36 6.414 12.478 10.265 318 HB2 GLN 36 2HB GLN 36 3.381 12.745 10.545 319 HB3 GLN 36 3HB GLN 36 4.489 14.019 10.042 320 HG2 GLN 36 2HG GLN 36 3.805 11.492 8.529 321 HG3 GLN 36 3HG GLN 36 3.380 13.139 8.094 322 HE21 GLN 36 1HE2 GLN 36 4.954 10.970 6.710 323 HE22 GLN 36 2HE2 GLN 36 6.435 11.732 6.257 324 H ARG 37 H ARG 37 4.062 11.509 12.773 325 HA ARG 37 HA ARG 37 4.547 13.612 14.587 326 HB2 ARG 37 2HB ARG 37 3.701 10.742 15.189 327 HB3 ARG 37 3HB ARG 37 3.604 12.077 16.334 328 HG2 ARG 37 2HG ARG 37 2.087 11.836 13.723 329 HG3 ARG 37 3HG ARG 37 1.417 11.662 15.342 330 HD2 ARG 37 2HD ARG 37 1.891 14.038 15.810 331 HD3 ARG 37 3HD ARG 37 2.629 14.212 14.213 332 HE ARG 37 HE ARG 37 -0.101 13.301 14.140 333 HH11 ARG 37 1HH1 ARG 37 1.993 16.133 14.181 334 HH12 ARG 37 2HH1 ARG 37 0.795 17.165 13.466 335 HH21 ARG 37 1HH2 ARG 37 -1.666 14.671 13.189 336 HH22 ARG 37 2HH2 ARG 37 -1.271 16.338 12.906 337 H ALA 38 H ALA 38 6.314 10.663 13.961 338 HA ALA 38 HA ALA 38 8.064 10.752 16.216 339 HB1 ALA 38 1HB ALA 38 9.323 9.010 15.008 340 HB2 ALA 38 2HB ALA 38 8.399 9.343 13.539 341 HB3 ALA 38 3HB ALA 38 7.592 8.678 14.961 342 H LYS 39 H LYS 39 8.612 11.547 12.754 343 HA LYS 39 HA LYS 39 11.329 12.399 13.207 344 HB2 LYS 39 2HB LYS 39 11.415 12.685 10.767 345 HB3 LYS 39 3HB LYS 39 10.678 11.150 11.193 346 HG2 LYS 39 2HG LYS 39 8.410 12.278 10.843 347 HG3 LYS 39 3HG LYS 39 9.284 13.629 10.133 348 HD2 LYS 39 2HD LYS 39 9.315 10.757 9.117 349 HD3 LYS 39 3HD LYS 39 8.402 12.088 8.408 350 HE2 LYS 39 2HE LYS 39 11.423 11.924 8.588 351 HE3 LYS 39 3HE LYS 39 10.461 11.629 7.142 352 HZ1 LYS 39 1HZ LYS 39 9.688 13.918 7.250 353 HZ2 LYS 39 2HZ LYS 39 11.365 13.836 7.112 354 HZ3 LYS 39 3HZ LYS 39 10.659 14.204 8.606 355 H ARG 40 H ARG 40 8.266 14.069 12.723 356 HA ARG 40 HA ARG 40 9.435 16.660 12.153 357 HB2 ARG 40 2HB ARG 40 6.555 15.877 12.800 358 HB3 ARG 40 3HB ARG 40 7.061 17.504 12.356 359 HG2 ARG 40 2HG ARG 40 7.369 15.064 10.582 360 HG3 ARG 40 3HG ARG 40 6.049 16.228 10.481 361 HD2 ARG 40 2HD ARG 40 8.989 16.844 10.045 362 HD3 ARG 40 3HD ARG 40 7.763 16.671 8.784 363 HE ARG 40 HE ARG 40 6.617 18.623 9.901 364 HH11 ARG 40 1HH1 ARG 40 10.117 18.276 10.076 365 HH12 ARG 40 2HH1 ARG 40 10.390 19.979 10.266 366 HH21 ARG 40 1HH2 ARG 40 7.002 20.859 10.123 367 HH22 ARG 40 2HH2 ARG 40 8.631 21.442 10.295 368 H ALA 41 H ALA 41 7.743 15.174 14.937 369 HA ALA 41 HA ALA 41 8.018 17.482 16.645 370 HB1 ALA 41 1HB ALA 41 7.128 16.037 18.424 371 HB2 ALA 41 2HB ALA 41 7.320 14.615 17.391 372 HB3 ALA 41 3HB ALA 41 6.176 15.881 16.949 373 H GLU 42 H GLU 42 9.907 14.585 16.012 374 HA GLU 42 HA GLU 42 12.104 14.132 16.270 375 HB2 GLU 42 2HB GLU 42 12.348 16.961 17.365 376 HB3 GLU 42 3HB GLU 42 13.700 15.931 16.907 377 HG2 GLU 42 2HG GLU 42 12.981 15.958 14.572 378 HG3 GLU 42 3HG GLU 42 11.551 16.890 14.996 379 H LYS 43 H LYS 43 10.036 14.211 18.676 380 HA LYS 43 HA LYS 43 11.698 13.907 20.985 381 HB2 LYS 43 2HB LYS 43 9.729 13.371 22.181 382 HB3 LYS 43 3HB LYS 43 9.176 14.490 20.951 383 HG2 LYS 43 2HG LYS 43 8.896 11.481 20.791 384 HG3 LYS 43 3HG LYS 43 7.643 12.570 21.366 385 HD2 LYS 43 2HD LYS 43 7.549 13.627 19.116 386 HD3 LYS 43 3HD LYS 43 8.808 12.519 18.556 387 HE2 LYS 43 2HE LYS 43 6.610 11.710 17.852 388 HE3 LYS 43 3HE LYS 43 7.310 10.595 19.020 389 HZ1 LYS 43 1HZ LYS 43 5.274 12.664 19.653 390 HZ2 LYS 43 2HZ LYS 43 5.895 11.517 20.725 391 HZ3 LYS 43 3HZ LYS 43 4.953 11.022 19.412 392 H ALA 44 H ALA 44 10.694 11.885 18.380 393 HA ALA 44 HA ALA 44 11.193 9.308 19.485 394 HB1 ALA 44 1HB ALA 44 9.734 9.657 17.561 395 HB2 ALA 44 2HB ALA 44 11.049 8.562 17.142 396 HB3 ALA 44 3HB ALA 44 11.094 10.246 16.599 397 H LYS 45 H LYS 45 13.289 11.792 18.512 398 HA LYS 45 HA LYS 45 15.373 10.357 17.222 399 HB2 LYS 45 2HB LYS 45 14.824 12.855 17.109 400 HB3 LYS 45 3HB LYS 45 15.586 13.026 18.685 401 HG2 LYS 45 2HG LYS 45 17.730 12.292 17.766 402 HG3 LYS 45 3HG LYS 45 16.986 11.988 16.194 403 HD2 LYS 45 2HD LYS 45 17.243 14.691 17.565 404 HD3 LYS 45 3HD LYS 45 18.197 14.138 16.191 405 HE2 LYS 45 2HE LYS 45 16.156 14.068 14.799 406 HE3 LYS 45 3HE LYS 45 15.188 14.595 16.178 407 HZ1 LYS 45 1HZ LYS 45 16.508 16.658 16.210 408 HZ2 LYS 45 2HZ LYS 45 15.675 16.445 14.752 409 HZ3 LYS 45 3HZ LYS 45 17.329 16.141 14.826 410 H ASN 46 H ASN 46 15.098 11.751 20.512 411 HA ASN 46 HA ASN 46 16.047 11.319 22.522 412 HB2 ASN 46 2HB ASN 46 16.054 8.457 21.466 413 HB3 ASN 46 3HB ASN 46 16.289 8.896 23.153 414 HD21 ASN 46 1HD2 ASN 46 13.957 8.518 20.612 415 HD22 ASN 46 2HD2 ASN 46 12.554 8.765 21.591 416 H SER 47 H SER 47 17.859 12.176 20.515 417 HA SER 47 HA SER 47 20.362 10.704 20.904 418 HB2 SER 47 2HB SER 47 21.268 12.477 19.328 419 HB3 SER 47 3HB SER 47 19.948 11.519 18.654 420 HG SER 47 HG SER 47 19.882 13.923 18.434 421 H LYS 48 H LYS 48 19.675 11.374 23.326 422 HA LYS 48 HA LYS 48 20.677 13.845 24.325 423 HB2 LYS 48 2HB LYS 48 19.093 12.355 25.600 424 HB3 LYS 48 3HB LYS 48 20.375 11.162 25.750 425 HG2 LYS 48 2HG LYS 48 20.339 12.226 27.846 426 HG3 LYS 48 3HG LYS 48 21.702 12.967 27.024 427 HD2 LYS 48 2HD LYS 48 18.992 14.316 26.968 428 HD3 LYS 48 3HD LYS 48 20.009 14.462 28.398 429 HE2 LYS 48 2HE LYS 48 20.830 15.293 25.593 430 HE3 LYS 48 3HE LYS 48 20.246 16.388 26.840 431 HZ1 LYS 48 1HZ LYS 48 22.727 14.761 26.937 432 HZ2 LYS 48 2HZ LYS 48 22.158 15.717 28.213 433 HZ3 LYS 48 3HZ LYS 48 22.631 16.441 26.756 434 H LYS 49 H LYS 49 21.959 10.565 24.412 435 HA LYS 49 HA LYS 49 24.410 11.365 23.139 436 HB2 LYS 49 2HB LYS 49 26.014 10.689 24.761 437 HB3 LYS 49 3HB LYS 49 24.893 11.704 25.643 438 HG2 LYS 49 2HG LYS 49 24.875 8.677 25.700 439 HG3 LYS 49 3HG LYS 49 25.684 9.697 26.886 440 HD2 LYS 49 2HD LYS 49 23.498 10.684 27.521 441 HD3 LYS 49 3HD LYS 49 22.693 9.627 26.352 442 HE2 LYS 49 2HE LYS 49 23.466 7.648 27.558 443 HE3 LYS 49 3HE LYS 49 24.367 8.655 28.694 444 HZ1 LYS 49 1HZ LYS 49 21.420 8.483 28.394 445 HZ2 LYS 49 2HZ LYS 49 22.190 9.648 29.342 446 HZ3 LYS 49 3HZ LYS 49 22.353 8.012 29.722 447 H ALA 50 H ALA 50 25.866 9.038 23.337 448 HA ALA 50 HA ALA 50 24.295 7.315 21.645 449 HB1 ALA 50 1HB ALA 50 26.368 6.047 21.323 450 HB2 ALA 50 2HB ALA 50 27.159 6.976 22.594 451 HB3 ALA 50 3HB ALA 50 26.660 7.773 21.101 452 H ILE 51 H ILE 51 22.711 6.472 22.924 453 HA ILE 51 HA ILE 51 23.137 4.978 25.336 454 HB ILE 51 HB ILE 51 20.748 4.179 25.033 455 HG12 ILE 51 2HG1 ILE 51 19.422 5.557 23.202 456 HG13 ILE 51 3HG1 ILE 51 20.977 5.736 22.415 457 HG21 ILE 51 1HG2 ILE 51 19.755 6.418 25.409 458 HG22 ILE 51 2HG2 ILE 51 21.219 7.175 24.781 459 HG23 ILE 51 3HG2 ILE 51 21.285 6.233 26.273 460 HD11 ILE 51 1HD1 ILE 51 19.631 3.961 21.432 461 HD12 ILE 51 2HD1 ILE 51 19.587 3.118 22.979 462 HD13 ILE 51 3HD1 ILE 51 21.119 3.317 22.127 463 H GLU 52 H GLU 52 23.536 4.304 22.039 464 HA GLU 52 HA GLU 52 24.184 1.465 22.575 465 HB2 GLU 52 2HB GLU 52 23.832 1.102 20.114 466 HB3 GLU 52 3HB GLU 52 22.366 1.576 20.966 467 HG2 GLU 52 2HG GLU 52 22.641 3.902 20.152 468 HG3 GLU 52 3HG GLU 52 24.103 3.415 19.292 469 H ASP 53 H ASP 53 25.814 0.885 20.491 470 HA ASP 53 HA ASP 53 27.942 2.939 20.375 471 HB2 ASP 53 2HB ASP 53 28.551 1.254 22.110 472 HB3 ASP 53 3HB ASP 53 28.323 -0.044 20.951 473 H GLY 54 H GLY 54 29.382 2.608 18.514 474 HA2 GLY 54 2HA GLY 54 28.024 1.739 16.106 475 HA3 GLY 54 3HA GLY 54 29.626 2.463 16.227 476 H VAL 55 H VAL 55 27.879 -0.527 16.988 477 HA VAL 55 HA VAL 55 30.271 -2.121 17.185 478 HB VAL 55 HB VAL 55 28.366 -2.617 18.635 479 HG11 VAL 55 1HG1 VAL 55 26.490 -1.976 17.205 480 HG12 VAL 55 2HG1 VAL 55 26.266 -3.619 17.807 481 HG13 VAL 55 3HG1 VAL 55 26.792 -3.353 16.142 482 HG21 VAL 55 1HG2 VAL 55 28.244 -5.076 18.326 483 HG22 VAL 55 2HG2 VAL 55 29.886 -4.472 18.090 484 HG23 VAL 55 3HG2 VAL 55 28.896 -4.901 16.694 485 HA PRO 56 HA PRO 56 30.122 -3.110 12.733 486 HB2 PRO 56 2HB PRO 56 32.630 -4.011 12.457 487 HB3 PRO 56 3HB PRO 56 32.345 -2.305 12.848 488 HG2 PRO 56 2HG PRO 56 33.214 -4.530 14.649 489 HG3 PRO 56 3HG PRO 56 33.742 -2.835 14.613 490 HD2 PRO 56 2HD PRO 56 31.799 -3.895 16.355 491 HD3 PRO 56 3HD PRO 56 32.060 -2.172 16.013 492 H GLN 57 H GLN 57 30.941 -5.122 11.435 493 HA GLN 57 HA GLN 57 30.030 -7.599 12.780 494 HB2 GLN 57 2HB GLN 57 29.399 -8.440 10.497 495 HB3 GLN 57 3HB GLN 57 28.450 -7.068 11.031 496 HG2 GLN 57 2HG GLN 57 30.786 -6.817 9.131 497 HG3 GLN 57 3HG GLN 57 29.134 -7.085 8.591 498 HE21 GLN 57 1HE2 GLN 57 27.963 -5.293 10.669 499 HE22 GLN 57 2HE2 GLN 57 28.338 -3.694 10.141 500 HA PRO 58 HA PRO 58 34.262 -9.031 12.313 501 HB2 PRO 58 2HB PRO 58 33.770 -11.774 12.584 502 HB3 PRO 58 3HB PRO 58 33.894 -10.628 13.921 503 HG2 PRO 58 2HG PRO 58 31.434 -11.709 12.621 504 HG3 PRO 58 3HG PRO 58 31.772 -11.440 14.347 505 HD2 PRO 58 2HD PRO 58 30.256 -9.714 12.941 506 HD3 PRO 58 3HD PRO 58 31.366 -9.145 14.208 507 H GLU 59 H GLU 59 31.703 -10.584 10.396 508 HA GLU 59 HA GLU 59 33.546 -10.874 8.111 509 HB2 GLU 59 2HB GLU 59 33.651 -13.025 9.291 510 HB3 GLU 59 3HB GLU 59 31.894 -13.151 9.291 511 HG2 GLU 59 2HG GLU 59 32.872 -14.621 7.601 512 HG3 GLU 59 3HG GLU 59 31.899 -13.370 6.833 513 H ALA 60 H ALA 60 30.176 -11.745 8.987 514 HA ALA 60 HA ALA 60 29.185 -11.745 6.383 515 HB1 ALA 60 1HB ALA 60 27.627 -11.441 8.967 516 HB2 ALA 60 2HB ALA 60 28.113 -12.965 8.229 517 HB3 ALA 60 3HB ALA 60 26.954 -11.919 7.406 518 H LEU 61 H LEU 61 29.483 -9.972 5.195 519 HA LEU 61 HA LEU 61 27.941 -7.537 5.817 520 HB2 LEU 61 2HB LEU 61 30.343 -7.178 6.486 521 HB3 LEU 61 3HB LEU 61 30.850 -7.543 4.852 522 HG LEU 61 HG LEU 61 30.807 -5.055 5.565 523 HD11 LEU 61 1HD1 LEU 61 29.282 -5.743 3.025 524 HD12 LEU 61 2HD1 LEU 61 31.035 -5.685 3.196 525 HD13 LEU 61 3HD1 LEU 61 30.091 -4.212 3.378 526 HD21 LEU 61 1HD2 LEU 61 27.808 -5.384 5.195 527 HD22 LEU 61 2HD2 LEU 61 28.662 -3.864 5.473 528 HD23 LEU 61 3HD2 LEU 61 28.631 -5.099 6.729 529 H GLU 62 H GLU 62 30.144 -8.914 3.344 530 HA GLU 62 HA GLU 62 28.483 -8.018 1.147 531 HB2 GLU 62 2HB GLU 62 30.972 -7.971 0.985 532 HB3 GLU 62 3HB GLU 62 31.019 -9.722 1.149 533 HG2 GLU 62 2HG GLU 62 29.576 -9.802 -0.988 534 HG3 GLU 62 3HG GLU 62 29.952 -8.089 -1.171 535 H1 MET 1 1H MET 1 -6.822 -2.842 15.494 536 H2 MET 1 2H MET 1 -7.662 -1.839 16.556 537 H3 MET 1 3H MET 1 -8.493 -3.021 15.677 538 HA MET 1 HA MET 1 -8.206 -3.682 17.963 539 HB2 MET 1 2HB MET 1 -8.237 -5.410 16.131 540 HB3 MET 1 3HB MET 1 -6.485 -5.323 16.034 541 HG2 MET 1 2HG MET 1 -7.990 -6.232 18.498 542 HG3 MET 1 3HG MET 1 -7.355 -7.318 17.261 543 HE1 MET 1 1HE MET 1 -6.060 -8.666 19.209 544 HE2 MET 1 2HE MET 1 -6.649 -7.545 20.436 545 HE3 MET 1 3HE MET 1 -4.926 -7.906 20.318 546 H GLU 2 H GLU 2 -4.974 -4.119 16.483 547 HA GLU 2 HA GLU 2 -3.704 -3.418 19.041 548 HB2 GLU 2 2HB GLU 2 -1.617 -4.387 17.928 549 HB3 GLU 2 3HB GLU 2 -2.935 -5.518 18.204 550 HG2 GLU 2 2HG GLU 2 -3.598 -5.324 15.815 551 HG3 GLU 2 3HG GLU 2 -2.252 -4.222 15.542 552 H GLU 3 H GLU 3 -3.009 -1.432 19.342 553 HA GLU 3 HA GLU 3 -1.688 0.206 17.423 554 HB2 GLU 3 2HB GLU 3 -3.509 1.993 17.319 555 HB3 GLU 3 3HB GLU 3 -3.856 0.522 16.427 556 HG2 GLU 3 2HG GLU 3 -5.155 -0.184 18.614 557 HG3 GLU 3 3HG GLU 3 -5.129 1.541 18.965 558 H LEU 4 H LEU 4 -0.606 1.831 18.430 559 HA LEU 4 HA LEU 4 -1.010 2.253 21.333 560 HB2 LEU 4 2HB LEU 4 1.669 1.861 19.912 561 HB3 LEU 4 3HB LEU 4 1.460 2.204 21.622 562 HG LEU 4 HG LEU 4 0.531 -0.345 20.237 563 HD11 LEU 4 1HD1 LEU 4 2.359 -1.484 21.381 564 HD12 LEU 4 2HD1 LEU 4 2.903 0.038 22.086 565 HD13 LEU 4 3HD1 LEU 4 2.991 -0.206 20.342 566 HD21 LEU 4 1HD2 LEU 4 -0.883 0.193 22.161 567 HD22 LEU 4 2HD2 LEU 4 0.541 0.356 23.189 568 HD23 LEU 4 3HD2 LEU 4 0.120 -1.216 22.505 569 H SER 5 H SER 5 -0.699 4.330 22.033 570 HA SER 5 HA SER 5 0.326 6.391 20.171 571 HB2 SER 5 2HB SER 5 -2.099 6.756 22.011 572 HB3 SER 5 3HB SER 5 -1.462 7.919 20.847 573 HG SER 5 HG SER 5 -2.981 5.615 20.432 574 H GLY 6 H GLY 6 2.271 6.720 21.159 575 HA2 GLY 6 2HA GLY 6 2.682 8.209 23.421 576 HA3 GLY 6 3HA GLY 6 2.682 6.541 23.994 577 H LYS 7 H LYS 7 4.079 5.037 22.728 578 HA LYS 7 HA LYS 7 6.767 5.980 22.791 579 HB2 LYS 7 2HB LYS 7 7.319 3.629 22.170 580 HB3 LYS 7 3HB LYS 7 6.189 3.728 23.520 581 HG2 LYS 7 2HG LYS 7 4.307 3.334 21.874 582 HG3 LYS 7 3HG LYS 7 5.527 3.017 20.642 583 HD2 LYS 7 2HD LYS 7 5.262 1.506 23.252 584 HD3 LYS 7 3HD LYS 7 4.614 0.956 21.711 585 HE2 LYS 7 2HE LYS 7 6.895 0.849 20.773 586 HE3 LYS 7 3HE LYS 7 7.556 1.425 22.305 587 HZ1 LYS 7 1HZ LYS 7 7.752 -0.965 22.140 588 HZ2 LYS 7 2HZ LYS 7 6.089 -1.122 21.882 589 HZ3 LYS 7 3HZ LYS 7 6.660 -0.570 23.375 590 HA PRO 8 HA PRO 8 7.293 6.650 18.305 591 HB2 PRO 8 2HB PRO 8 9.955 6.880 18.168 592 HB3 PRO 8 3HB PRO 8 9.021 8.050 19.122 593 HG2 PRO 8 2HG PRO 8 10.551 5.649 20.094 594 HG3 PRO 8 3HG PRO 8 10.565 7.318 20.714 595 HD2 PRO 8 2HD PRO 8 9.020 5.323 21.812 596 HD3 PRO 8 3HD PRO 8 8.608 7.052 21.876 597 H LEU 9 H LEU 9 9.217 5.772 16.688 598 HA LEU 9 HA LEU 9 9.286 2.816 16.827 599 HB2 LEU 9 2HB LEU 9 9.597 3.073 14.251 600 HB3 LEU 9 3HB LEU 9 8.001 3.279 14.935 601 HG LEU 9 HG LEU 9 8.367 5.812 14.800 602 HD11 LEU 9 1HD1 LEU 9 10.733 5.066 13.059 603 HD12 LEU 9 2HD1 LEU 9 10.788 5.932 14.596 604 HD13 LEU 9 3HD1 LEU 9 10.023 6.677 13.196 605 HD21 LEU 9 1HD2 LEU 9 7.814 5.939 12.401 606 HD22 LEU 9 2HD2 LEU 9 6.934 4.650 13.214 607 HD23 LEU 9 3HD2 LEU 9 8.321 4.259 12.196 608 H SER 10 H SER 10 11.273 1.804 16.167 609 HA SER 10 HA SER 10 13.692 3.269 16.824 610 HB2 SER 10 2HB SER 10 13.278 0.379 15.940 611 HB3 SER 10 3HB SER 10 14.800 1.044 16.537 612 HG SER 10 HG SER 10 13.748 1.494 18.512 613 H TYR 11 H TYR 11 15.674 2.740 15.322 614 HA TYR 11 HA TYR 11 15.432 4.034 12.843 615 HB2 TYR 11 2HB TYR 11 17.575 3.913 14.041 616 HB3 TYR 11 3HB TYR 11 17.610 2.163 13.894 617 HD1 TYR 11 HD1 TYR 11 17.814 5.336 11.933 618 HD2 TYR 11 HD2 TYR 11 18.585 1.130 11.954 619 HE1 TYR 11 HE1 TYR 11 19.105 5.553 9.867 620 HE2 TYR 11 HE2 TYR 11 19.883 1.359 9.873 621 HH TYR 11 HH TYR 11 20.171 2.907 8.021 622 H ALA 12 H ALA 12 15.701 0.590 13.653 623 HA ALA 12 HA ALA 12 15.569 -0.574 11.124 624 HB1 ALA 12 1HB ALA 12 14.464 -1.670 13.734 625 HB2 ALA 12 2HB ALA 12 16.131 -1.816 13.167 626 HB3 ALA 12 3HB ALA 12 14.826 -2.609 12.284 627 H GLU 13 H GLU 13 12.972 0.468 13.287 628 HA GLU 13 HA GLU 13 10.802 -0.589 11.789 629 HB2 GLU 13 2HB GLU 13 10.815 1.653 13.846 630 HB3 GLU 13 3HB GLU 13 9.392 0.788 13.283 631 HG2 GLU 13 2HG GLU 13 11.696 -0.390 14.856 632 HG3 GLU 13 3HG GLU 13 10.088 -0.016 15.475 633 H LYS 14 H LYS 14 12.429 2.541 11.862 634 HA LYS 14 HA LYS 14 10.545 4.004 10.308 635 HB2 LYS 14 2HB LYS 14 12.167 5.005 11.921 636 HB3 LYS 14 3HB LYS 14 13.497 4.560 10.872 637 HG2 LYS 14 2HG LYS 14 11.326 6.347 9.775 638 HG3 LYS 14 3HG LYS 14 12.499 7.036 10.887 639 HD2 LYS 14 2HD LYS 14 13.120 5.694 8.229 640 HD3 LYS 14 3HD LYS 14 13.184 7.424 8.566 641 HE2 LYS 14 2HE LYS 14 14.996 7.004 10.236 642 HE3 LYS 14 3HE LYS 14 14.963 5.292 9.806 643 HZ1 LYS 14 1HZ LYS 14 15.623 7.532 7.966 644 HZ2 LYS 14 2HZ LYS 14 15.581 5.897 7.539 645 HZ3 LYS 14 3HZ LYS 14 16.733 6.446 8.641 646 H GLU 15 H GLU 15 13.518 2.193 9.520 647 HA GLU 15 HA GLU 15 13.576 3.051 6.765 648 HB2 GLU 15 2HB GLU 15 15.479 1.575 6.467 649 HB3 GLU 15 3HB GLU 15 15.663 2.454 7.980 650 HG2 GLU 15 2HG GLU 15 14.900 0.461 9.228 651 HG3 GLU 15 3HG GLU 15 14.736 -0.420 7.713 652 H LYS 16 H LYS 16 12.504 0.071 8.452 653 HA LYS 16 HA LYS 16 11.733 -1.308 6.078 654 HB2 LYS 16 2HB LYS 16 10.622 -2.924 7.446 655 HB3 LYS 16 3HB LYS 16 12.088 -2.448 8.289 656 HG2 LYS 16 2HG LYS 16 10.746 -0.980 9.774 657 HG3 LYS 16 3HG LYS 16 9.283 -1.502 8.940 658 HD2 LYS 16 2HD LYS 16 9.584 -2.705 11.068 659 HD3 LYS 16 3HD LYS 16 9.642 -3.813 9.696 660 HE2 LYS 16 2HE LYS 16 12.063 -3.953 9.847 661 HE3 LYS 16 3HE LYS 16 12.097 -2.698 11.091 662 HZ1 LYS 16 1HZ LYS 16 10.904 -4.160 12.572 663 HZ2 LYS 16 2HZ LYS 16 12.313 -4.915 12.028 664 HZ3 LYS 16 3HZ LYS 16 10.814 -5.358 11.383 665 H LEU 17 H LEU 17 10.248 1.136 8.057 666 HA LEU 17 HA LEU 17 7.599 0.850 7.039 667 HB2 LEU 17 2HB LEU 17 8.118 1.953 9.197 668 HB3 LEU 17 3HB LEU 17 8.890 3.279 8.332 669 HG LEU 17 HG LEU 17 6.769 3.976 7.360 670 HD11 LEU 17 1HD1 LEU 17 5.800 1.789 6.896 671 HD12 LEU 17 2HD1 LEU 17 4.670 2.788 7.798 672 HD13 LEU 17 3HD1 LEU 17 5.546 1.503 8.624 673 HD21 LEU 17 1HD2 LEU 17 7.198 4.799 9.633 674 HD22 LEU 17 2HD2 LEU 17 6.397 3.386 10.321 675 HD23 LEU 17 3HD2 LEU 17 5.471 4.556 9.378 676 H LYS 18 H LYS 18 10.284 3.126 6.190 677 HA LYS 18 HA LYS 18 8.754 4.548 4.269 678 HB2 LYS 18 2HB LYS 18 10.917 5.539 3.508 679 HB3 LYS 18 3HB LYS 18 10.667 5.646 5.238 680 HG2 LYS 18 2HG LYS 18 12.927 5.126 5.078 681 HG3 LYS 18 3HG LYS 18 12.190 3.558 5.394 682 HD2 LYS 18 2HD LYS 18 12.318 3.057 2.938 683 HD3 LYS 18 3HD LYS 18 13.143 4.595 2.695 684 HE2 LYS 18 2HE LYS 18 15.012 3.846 4.088 685 HE3 LYS 18 3HE LYS 18 14.167 2.340 4.452 686 HZ1 LYS 18 1HZ LYS 18 14.251 1.805 2.066 687 HZ2 LYS 18 2HZ LYS 18 15.783 1.959 2.759 688 HZ3 LYS 18 3HZ LYS 18 15.170 3.203 1.793 689 H GLU 19 H GLU 19 10.806 1.655 4.003 690 HA GLU 19 HA GLU 19 10.584 1.478 1.128 691 HB2 GLU 19 2HB GLU 19 11.607 -0.696 1.288 692 HB3 GLU 19 3HB GLU 19 12.445 0.377 2.405 693 HG2 GLU 19 2HG GLU 19 11.194 -0.596 4.288 694 HG3 GLU 19 3HG GLU 19 10.324 -1.647 3.180 695 H LYS 20 H LYS 20 8.708 0.246 3.885 696 HA LYS 20 HA LYS 20 6.886 -1.409 2.538 697 HB2 LYS 20 2HB LYS 20 6.655 -1.620 4.833 698 HB3 LYS 20 3HB LYS 20 6.876 0.096 5.139 699 HG2 LYS 20 2HG LYS 20 4.571 0.566 4.535 700 HG3 LYS 20 3HG LYS 20 4.309 -1.104 4.019 701 HD2 LYS 20 2HD LYS 20 5.001 -0.290 6.872 702 HD3 LYS 20 3HD LYS 20 3.356 -0.530 6.289 703 HE2 LYS 20 2HE LYS 20 5.518 -2.657 6.315 704 HE3 LYS 20 3HE LYS 20 4.221 -2.510 7.501 705 HZ1 LYS 20 1HZ LYS 20 3.637 -4.140 5.860 706 HZ2 LYS 20 2HZ LYS 20 3.898 -3.044 4.600 707 HZ3 LYS 20 3HZ LYS 20 2.627 -2.798 5.676 708 H LEU 21 H LEU 21 6.784 2.089 3.155 709 HA LEU 21 HA LEU 21 4.192 2.556 2.096 710 HB2 LEU 21 2HB LEU 21 6.485 4.536 2.437 711 HB3 LEU 21 3HB LEU 21 4.799 4.953 2.179 712 HG LEU 21 HG LEU 21 5.962 3.618 4.647 713 HD11 LEU 21 1HD1 LEU 21 6.457 6.007 4.524 714 HD12 LEU 21 2HD1 LEU 21 5.323 5.663 5.823 715 HD13 LEU 21 3HD1 LEU 21 4.742 6.371 4.314 716 HD21 LEU 21 1HD2 LEU 21 3.728 3.732 5.627 717 HD22 LEU 21 2HD2 LEU 21 3.751 2.691 4.208 718 HD23 LEU 21 3HD2 LEU 21 3.070 4.316 4.098 719 H ALA 22 H ALA 22 7.468 2.808 0.742 720 HA ALA 22 HA ALA 22 6.730 3.807 -1.838 721 HB1 ALA 22 1HB ALA 22 9.236 2.303 -0.965 722 HB2 ALA 22 2HB ALA 22 9.008 4.053 -0.937 723 HB3 ALA 22 3HB ALA 22 9.045 3.197 -2.477 724 H PHE 23 H PHE 23 7.155 0.565 -0.490 725 HA PHE 23 HA PHE 23 7.086 -0.930 -2.903 726 HB2 PHE 23 2HB PHE 23 7.993 -1.939 -0.868 727 HB3 PHE 23 3HB PHE 23 6.449 -1.771 -0.038 728 HD1 PHE 23 HD1 PHE 23 8.051 -3.465 -2.981 729 HD2 PHE 23 HD2 PHE 23 4.892 -3.573 -0.099 730 HE1 PHE 23 HE1 PHE 23 7.395 -5.702 -3.772 731 HE2 PHE 23 HE2 PHE 23 4.249 -5.805 -0.897 732 HZ PHE 23 HZ PHE 23 5.496 -6.874 -2.732 733 H LEU 24 H LEU 24 4.576 -0.339 -0.430 734 HA LEU 24 HA LEU 24 2.502 -1.614 -1.843 735 HB2 LEU 24 2HB LEU 24 0.972 -0.740 -0.182 736 HB3 LEU 24 3HB LEU 24 2.406 -1.377 0.574 737 HG LEU 24 HG LEU 24 3.176 1.126 0.751 738 HD11 LEU 24 1HD1 LEU 24 0.196 1.581 0.387 739 HD12 LEU 24 2HD1 LEU 24 1.483 2.164 -0.669 740 HD13 LEU 24 3HD1 LEU 24 1.356 2.773 0.973 741 HD21 LEU 24 1HD2 LEU 24 0.903 0.101 2.490 742 HD22 LEU 24 2HD2 LEU 24 2.019 1.405 2.908 743 HD23 LEU 24 3HD2 LEU 24 2.625 -0.235 2.704 744 H LYS 25 H LYS 25 3.728 1.667 -1.877 745 HA LYS 25 HA LYS 25 1.608 2.925 -3.277 746 HB2 LYS 25 2HB LYS 25 3.319 4.165 -2.050 747 HB3 LYS 25 3HB LYS 25 4.578 3.599 -3.144 748 HG2 LYS 25 2HG LYS 25 3.705 4.926 -4.956 749 HG3 LYS 25 3HG LYS 25 2.248 5.334 -4.045 750 HD2 LYS 25 2HD LYS 25 5.090 6.220 -3.409 751 HD3 LYS 25 3HD LYS 25 3.799 7.238 -4.050 752 HE2 LYS 25 2HE LYS 25 2.503 6.882 -1.957 753 HE3 LYS 25 3HE LYS 25 3.820 5.898 -1.321 754 HZ1 LYS 25 1HZ LYS 25 5.261 7.859 -1.475 755 HZ2 LYS 25 2HZ LYS 25 3.937 8.116 -0.453 756 HZ3 LYS 25 3HZ LYS 25 3.942 8.776 -2.008 757 H LYS 26 H LYS 26 4.675 1.489 -4.493 758 HA LYS 26 HA LYS 26 4.188 2.228 -7.218 759 HB2 LYS 26 2HB LYS 26 6.157 0.886 -7.787 760 HB3 LYS 26 3HB LYS 26 6.489 1.884 -6.379 761 HG2 LYS 26 2HG LYS 26 6.152 -0.084 -4.911 762 HG3 LYS 26 3HG LYS 26 5.853 -1.086 -6.334 763 HD2 LYS 26 2HD LYS 26 8.163 -0.610 -7.135 764 HD3 LYS 26 3HD LYS 26 8.452 0.365 -5.690 765 HE2 LYS 26 2HE LYS 26 8.090 -1.639 -4.273 766 HE3 LYS 26 3HE LYS 26 7.822 -2.610 -5.725 767 HZ1 LYS 26 1HZ LYS 26 10.070 -2.184 -6.421 768 HZ2 LYS 26 2HZ LYS 26 10.089 -2.786 -4.839 769 HZ3 LYS 26 3HZ LYS 26 10.326 -1.143 -5.115 770 H GLU 27 H GLU 27 3.679 -0.777 -5.336 771 HA GLU 27 HA GLU 27 2.839 -2.380 -7.528 772 HB2 GLU 27 2HB GLU 27 2.018 -3.996 -5.948 773 HB3 GLU 27 3HB GLU 27 3.525 -3.360 -5.310 774 HG2 GLU 27 2HG GLU 27 2.372 -2.051 -3.672 775 HG3 GLU 27 3HG GLU 27 0.808 -2.384 -4.391 776 H TYR 28 H TYR 28 1.118 -0.307 -5.194 777 HA TYR 28 HA TYR 28 -1.543 -0.800 -5.836 778 HB2 TYR 28 2HB TYR 28 -0.907 0.560 -3.911 779 HB3 TYR 28 3HB TYR 28 -0.171 1.777 -4.940 780 HD1 TYR 28 HD1 TYR 28 -3.432 0.332 -3.837 781 HD2 TYR 28 HD2 TYR 28 -1.519 3.576 -5.862 782 HE1 TYR 28 HE1 TYR 28 -5.534 1.594 -3.803 783 HE2 TYR 28 HE2 TYR 28 -3.636 4.838 -5.829 784 HH TYR 28 HH TYR 28 -6.028 4.413 -5.656 785 H SER 29 H SER 29 0.683 1.603 -7.248 786 HA SER 29 HA SER 29 -1.142 2.819 -9.005 787 HB2 SER 29 2HB SER 29 1.888 2.590 -9.234 788 HB3 SER 29 3HB SER 29 0.881 3.752 -10.107 789 HG SER 29 HG SER 29 1.332 3.562 -7.316 790 H ARG 30 H ARG 30 1.268 0.239 -9.583 791 HA ARG 30 HA ARG 30 0.754 -0.146 -12.345 792 HB2 ARG 30 2HB ARG 30 2.824 -0.942 -11.387 793 HB3 ARG 30 3HB ARG 30 1.980 -1.963 -10.228 794 HG2 ARG 30 2HG ARG 30 1.258 -3.473 -12.000 795 HG3 ARG 30 3HG ARG 30 1.926 -2.410 -13.235 796 HD2 ARG 30 2HD ARG 30 3.572 -3.814 -11.107 797 HD3 ARG 30 3HD ARG 30 3.346 -4.399 -12.753 798 HE ARG 30 HE ARG 30 4.581 -1.769 -12.196 799 HH11 ARG 30 1HH1 ARG 30 4.764 -4.921 -13.755 800 HH12 ARG 30 2HH1 ARG 30 6.205 -4.526 -14.639 801 HH21 ARG 30 1HH2 ARG 30 6.448 -1.259 -13.386 802 HH22 ARG 30 2HH2 ARG 30 7.155 -2.455 -14.428 803 H THR 31 H THR 31 -0.484 -1.876 -9.500 804 HA THR 31 HA THR 31 -1.818 -3.882 -11.060 805 HB THR 31 HB THR 31 -0.703 -4.336 -8.839 806 HG1 THR 31 HG1 THR 31 -3.431 -5.111 -9.145 807 HG21 THR 31 1HG2 THR 31 -1.649 -2.408 -7.558 808 HG22 THR 31 2HG2 THR 31 -1.933 -3.958 -6.770 809 HG23 THR 31 3HG2 THR 31 -3.241 -3.168 -7.648 810 H LEU 32 H LEU 32 -2.812 -0.940 -9.365 811 HA LEU 32 HA LEU 32 -5.631 -1.330 -9.679 812 HB2 LEU 32 2HB LEU 32 -4.730 0.274 -8.054 813 HB3 LEU 32 3HB LEU 32 -4.027 1.245 -9.329 814 HG LEU 32 HG LEU 32 -7.039 0.867 -9.335 815 HD11 LEU 32 1HD1 LEU 32 -7.392 2.763 -7.824 816 HD12 LEU 32 2HD1 LEU 32 -5.659 2.851 -7.497 817 HD13 LEU 32 3HD1 LEU 32 -6.583 1.435 -6.993 818 HD21 LEU 32 1HD2 LEU 32 -7.042 3.171 -10.234 819 HD22 LEU 32 2HD2 LEU 32 -6.029 2.102 -11.198 820 HD23 LEU 32 3HD2 LEU 32 -5.282 3.236 -10.072 821 H ALA 33 H ALA 33 -3.079 0.229 -11.604 822 HA ALA 33 HA ALA 33 -4.592 1.347 -13.656 823 HB1 ALA 33 1HB ALA 33 -2.527 1.272 -14.989 824 HB2 ALA 33 2HB ALA 33 -1.820 0.123 -13.846 825 HB3 ALA 33 3HB ALA 33 -2.186 1.772 -13.328 826 H ARG 34 H ARG 34 -3.186 -1.927 -13.452 827 HA ARG 34 HA ARG 34 -4.167 -2.812 -15.997 828 HB2 ARG 34 2HB ARG 34 -3.079 -4.842 -15.559 829 HB3 ARG 34 3HB ARG 34 -2.125 -3.685 -14.651 830 HG2 ARG 34 2HG ARG 34 -3.628 -4.412 -12.619 831 HG3 ARG 34 3HG ARG 34 -4.002 -5.807 -13.628 832 HD2 ARG 34 2HD ARG 34 -1.301 -4.939 -12.594 833 HD3 ARG 34 3HD ARG 34 -2.192 -6.418 -12.190 834 HE ARG 34 HE ARG 34 -1.849 -6.675 -14.856 835 HH11 ARG 34 1HH1 ARG 34 0.404 -5.982 -12.254 836 HH12 ARG 34 2HH1 ARG 34 1.739 -6.692 -13.059 837 HH21 ARG 34 1HH2 ARG 34 -0.059 -7.560 -15.951 838 HH22 ARG 34 2HH2 ARG 34 1.491 -7.597 -15.163 839 H LEU 35 H LEU 35 -5.338 -2.969 -12.679 840 HA LEU 35 HA LEU 35 -7.546 -4.680 -12.941 841 HB2 LEU 35 2HB LEU 35 -6.732 -3.864 -10.758 842 HB3 LEU 35 3HB LEU 35 -7.193 -2.227 -11.175 843 HG LEU 35 HG LEU 35 -9.594 -2.883 -11.140 844 HD11 LEU 35 1HD1 LEU 35 -10.299 -5.063 -10.261 845 HD12 LEU 35 2HD1 LEU 35 -8.622 -5.613 -10.245 846 HD13 LEU 35 3HD1 LEU 35 -9.414 -5.228 -11.775 847 HD21 LEU 35 1HD2 LEU 35 -8.116 -3.585 -8.582 848 HD22 LEU 35 2HD2 LEU 35 -9.824 -3.156 -8.707 849 HD23 LEU 35 3HD2 LEU 35 -8.591 -1.966 -9.104 850 H GLN 36 H GLN 36 -7.148 -1.213 -13.609 851 HA GLN 36 HA GLN 36 -9.840 -0.683 -14.371 852 HB2 GLN 36 2HB GLN 36 -7.333 0.839 -15.240 853 HB3 GLN 36 3HB GLN 36 -8.992 1.417 -15.363 854 HG2 GLN 36 2HG GLN 36 -7.410 0.931 -12.830 855 HG3 GLN 36 3HG GLN 36 -7.945 2.477 -13.470 856 HE21 GLN 36 1HE2 GLN 36 -8.444 1.032 -10.866 857 HE22 GLN 36 2HE2 GLN 36 -10.162 1.036 -10.687 858 H ARG 37 H ARG 37 -6.907 -1.598 -16.200 859 HA ARG 37 HA ARG 37 -8.033 -1.495 -18.794 860 HB2 ARG 37 2HB ARG 37 -5.790 -3.301 -17.780 861 HB3 ARG 37 3HB ARG 37 -6.153 -2.991 -19.474 862 HG2 ARG 37 2HG ARG 37 -5.184 -0.963 -17.443 863 HG3 ARG 37 3HG ARG 37 -4.257 -1.636 -18.780 864 HD2 ARG 37 2HD ARG 37 -5.754 -0.531 -20.392 865 HD3 ARG 37 3HD ARG 37 -6.741 0.092 -19.069 866 HE ARG 37 HE ARG 37 -3.976 0.884 -18.933 867 HH11 ARG 37 1HH1 ARG 37 -7.125 1.710 -20.280 868 HH12 ARG 37 2HH1 ARG 37 -6.735 3.388 -20.486 869 HH21 ARG 37 1HH2 ARG 37 -3.469 3.084 -19.217 870 HH22 ARG 37 2HH2 ARG 37 -4.656 4.161 -19.880 871 H ALA 38 H ALA 38 -8.263 -3.913 -16.287 872 HA ALA 38 HA ALA 38 -9.406 -6.007 -17.888 873 HB1 ALA 38 1HB ALA 38 -9.843 -7.111 -15.735 874 HB2 ALA 38 2HB ALA 38 -9.457 -5.617 -14.874 875 HB3 ALA 38 3HB ALA 38 -8.203 -6.463 -15.783 876 H LYS 39 H LYS 39 -10.831 -3.795 -15.448 877 HA LYS 39 HA LYS 39 -13.494 -4.810 -15.850 878 HB2 LYS 39 2HB LYS 39 -14.124 -3.294 -14.022 879 HB3 LYS 39 3HB LYS 39 -12.664 -4.180 -13.621 880 HG2 LYS 39 2HG LYS 39 -11.350 -2.105 -14.340 881 HG3 LYS 39 3HG LYS 39 -12.887 -1.250 -14.380 882 HD2 LYS 39 2HD LYS 39 -11.661 -2.594 -11.932 883 HD3 LYS 39 3HD LYS 39 -11.673 -0.861 -12.256 884 HE2 LYS 39 2HE LYS 39 -14.127 -2.585 -11.809 885 HE3 LYS 39 3HE LYS 39 -13.412 -1.490 -10.631 886 HZ1 LYS 39 1HZ LYS 39 -13.887 0.353 -12.119 887 HZ2 LYS 39 2HZ LYS 39 -15.295 -0.472 -11.705 888 HZ3 LYS 39 3HZ LYS 39 -14.604 -0.699 -13.235 889 H ARG 40 H ARG 40 -11.769 -1.934 -16.911 890 HA ARG 40 HA ARG 40 -14.131 -0.477 -17.745 891 HB2 ARG 40 2HB ARG 40 -11.172 0.062 -18.276 892 HB3 ARG 40 3HB ARG 40 -12.477 1.136 -18.760 893 HG2 ARG 40 2HG ARG 40 -11.852 0.380 -15.892 894 HG3 ARG 40 3HG ARG 40 -11.312 1.854 -16.688 895 HD2 ARG 40 2HD ARG 40 -14.200 1.068 -16.208 896 HD3 ARG 40 3HD ARG 40 -13.283 2.266 -15.288 897 HE ARG 40 HE ARG 40 -13.059 3.505 -17.463 898 HH11 ARG 40 1HH1 ARG 40 -15.846 1.439 -16.888 899 HH12 ARG 40 2HH1 ARG 40 -16.865 2.324 -17.971 900 HH21 ARG 40 1HH2 ARG 40 -14.424 4.655 -18.881 901 HH22 ARG 40 2HH2 ARG 40 -16.067 4.137 -19.097 902 H ALA 41 H ALA 41 -11.489 -2.243 -19.404 903 HA ALA 41 HA ALA 41 -12.525 -1.784 -22.059 904 HB1 ALA 41 1HB ALA 41 -10.745 -3.308 -22.805 905 HB2 ALA 41 2HB ALA 41 -10.408 -3.764 -21.131 906 HB3 ALA 41 3HB ALA 41 -10.125 -2.109 -21.674 907 H GLU 42 H GLU 42 -12.858 -4.286 -19.634 908 HA GLU 42 HA GLU 42 -14.491 -5.795 -19.234 909 HB2 GLU 42 2HB GLU 42 -15.886 -4.589 -21.655 910 HB3 GLU 42 3HB GLU 42 -16.625 -5.703 -20.512 911 HG2 GLU 42 2HG GLU 42 -16.367 -4.063 -18.707 912 HG3 GLU 42 3HG GLU 42 -15.575 -2.949 -19.818 913 H LYS 43 H LYS 43 -12.325 -6.251 -21.549 914 HA LYS 43 HA LYS 43 -13.312 -8.352 -23.167 915 HB2 LYS 43 2HB LYS 43 -11.031 -8.883 -23.733 916 HB3 LYS 43 3HB LYS 43 -11.098 -7.144 -23.525 917 HG2 LYS 43 2HG LYS 43 -10.086 -9.048 -21.396 918 HG3 LYS 43 3HG LYS 43 -9.049 -8.266 -22.583 919 HD2 LYS 43 2HD LYS 43 -9.756 -6.035 -21.680 920 HD3 LYS 43 3HD LYS 43 -10.726 -6.870 -20.460 921 HE2 LYS 43 2HE LYS 43 -8.589 -6.178 -19.500 922 HE3 LYS 43 3HE LYS 43 -8.666 -7.939 -19.570 923 HZ1 LYS 43 1HZ LYS 43 -6.514 -7.002 -20.266 924 HZ2 LYS 43 2HZ LYS 43 -7.272 -6.238 -21.570 925 HZ3 LYS 43 3HZ LYS 43 -7.241 -7.921 -21.480 926 H ALA 44 H ALA 44 -12.309 -8.280 -19.862 927 HA ALA 44 HA ALA 44 -11.854 -11.092 -19.470 928 HB1 ALA 44 1HB ALA 44 -11.660 -10.466 -17.094 929 HB2 ALA 44 2HB ALA 44 -12.275 -8.850 -17.462 930 HB3 ALA 44 3HB ALA 44 -10.727 -9.376 -18.121 931 H LYS 45 H LYS 45 -14.690 -9.298 -19.848 932 HA LYS 45 HA LYS 45 -16.449 -10.347 -17.890 933 HB2 LYS 45 2HB LYS 45 -16.929 -8.286 -19.128 934 HB3 LYS 45 3HB LYS 45 -16.973 -9.166 -20.650 935 HG2 LYS 45 2HG LYS 45 -18.999 -10.402 -19.826 936 HG3 LYS 45 3HG LYS 45 -18.990 -9.392 -18.379 937 HD2 LYS 45 2HD LYS 45 -19.314 -8.416 -21.244 938 HD3 LYS 45 3HD LYS 45 -20.599 -8.539 -20.044 939 HE2 LYS 45 2HE LYS 45 -19.533 -6.817 -18.676 940 HE3 LYS 45 3HE LYS 45 -18.159 -6.750 -19.782 941 HZ1 LYS 45 1HZ LYS 45 -19.620 -5.945 -21.509 942 HZ2 LYS 45 2HZ LYS 45 -19.734 -4.951 -20.148 943 HZ3 LYS 45 3HZ LYS 45 -20.957 -6.062 -20.483 944 H ASN 46 H ASN 46 -15.999 -11.173 -21.336 945 HA ASN 46 HA ASN 46 -16.676 -12.839 -22.687 946 HB2 ASN 46 2HB ASN 46 -16.294 -14.472 -20.150 947 HB3 ASN 46 3HB ASN 46 -16.743 -15.211 -21.679 948 HD21 ASN 46 1HD2 ASN 46 -14.409 -12.534 -21.185 949 HD22 ASN 46 2HD2 ASN 46 -13.041 -13.419 -21.744 950 H SER 47 H SER 47 -18.659 -11.574 -22.801 951 HA SER 47 HA SER 47 -21.042 -12.412 -21.421 952 HB2 SER 47 2HB SER 47 -22.196 -10.925 -23.154 953 HB3 SER 47 3HB SER 47 -20.960 -10.116 -22.193 954 HG SER 47 HG SER 47 -20.853 -10.952 -24.886 955 H LYS 48 H LYS 48 -20.966 -14.655 -21.755 956 HA LYS 48 HA LYS 48 -22.179 -15.694 -24.177 957 HB2 LYS 48 2HB LYS 48 -19.602 -15.631 -24.501 958 HB3 LYS 48 3HB LYS 48 -19.496 -16.845 -23.236 959 HG2 LYS 48 2HG LYS 48 -20.764 -18.423 -24.621 960 HG3 LYS 48 3HG LYS 48 -20.978 -17.196 -25.869 961 HD2 LYS 48 2HD LYS 48 -18.296 -18.340 -24.979 962 HD3 LYS 48 3HD LYS 48 -19.189 -18.849 -26.407 963 HE2 LYS 48 2HE LYS 48 -18.109 -16.052 -25.942 964 HE3 LYS 48 3HE LYS 48 -17.363 -17.276 -26.969 965 HZ1 LYS 48 1HZ LYS 48 -19.305 -17.256 -28.374 966 HZ2 LYS 48 2HZ LYS 48 -18.688 -15.690 -28.233 967 HZ3 LYS 48 3HZ LYS 48 -20.074 -16.131 -27.374 968 H LYS 49 H LYS 49 -22.242 -18.342 -23.670 969 HA LYS 49 HA LYS 49 -23.967 -18.718 -21.515 970 HB2 LYS 49 2HB LYS 49 -24.144 -20.960 -22.239 971 HB3 LYS 49 3HB LYS 49 -23.596 -20.163 -23.699 972 HG2 LYS 49 2HG LYS 49 -21.877 -21.771 -21.794 973 HG3 LYS 49 3HG LYS 49 -22.470 -22.327 -23.355 974 HD2 LYS 49 2HD LYS 49 -21.013 -20.860 -24.548 975 HD3 LYS 49 3HD LYS 49 -20.688 -19.885 -23.112 976 HE2 LYS 49 2HE LYS 49 -19.488 -21.826 -22.103 977 HE3 LYS 49 3HE LYS 49 -19.728 -22.730 -23.602 978 HZ1 LYS 49 1HZ LYS 49 -17.546 -21.701 -23.521 979 HZ2 LYS 49 2HZ LYS 49 -18.235 -20.170 -23.341 980 HZ3 LYS 49 3HZ LYS 49 -18.456 -21.034 -24.778 981 H ALA 50 H ALA 50 -23.584 -20.657 -19.935 982 HA ALA 50 HA ALA 50 -21.839 -19.855 -17.885 983 HB1 ALA 50 1HB ALA 50 -22.499 -21.945 -16.745 984 HB2 ALA 50 2HB ALA 50 -23.217 -22.547 -18.239 985 HB3 ALA 50 3HB ALA 50 -23.905 -21.134 -17.437 986 H ILE 51 H ILE 51 -19.746 -20.260 -17.504 987 HA ILE 51 HA ILE 51 -18.274 -22.076 -19.325 988 HB ILE 51 HB ILE 51 -16.217 -20.676 -18.693 989 HG12 ILE 51 2HG1 ILE 51 -16.878 -18.215 -18.020 990 HG13 ILE 51 3HG1 ILE 51 -18.364 -18.921 -17.408 991 HG21 ILE 51 1HG2 ILE 51 -16.774 -18.899 -20.305 992 HG22 ILE 51 2HG2 ILE 51 -18.484 -19.301 -20.170 993 HG23 ILE 51 3HG2 ILE 51 -17.357 -20.473 -20.854 994 HD11 ILE 51 1HD1 ILE 51 -15.577 -19.578 -16.468 995 HD12 ILE 51 2HD1 ILE 51 -17.071 -20.250 -15.818 996 HD13 ILE 51 3HD1 ILE 51 -16.734 -18.529 -15.650 997 H GLU 52 H GLU 52 -19.393 -22.071 -16.192 998 HA GLU 52 HA GLU 52 -17.845 -24.403 -15.539 999 HB2 GLU 52 2HB GLU 52 -16.867 -23.607 -13.420 1000 HB3 GLU 52 3HB GLU 52 -16.261 -22.653 -14.766 1001 HG2 GLU 52 2HG GLU 52 -17.877 -20.840 -14.179 1002 HG3 GLU 52 3HG GLU 52 -18.399 -21.789 -12.792 1003 H ASP 53 H ASP 53 -18.437 -25.153 -13.234 1004 HA ASP 53 HA ASP 53 -21.311 -25.398 -13.065 1005 HB2 ASP 53 2HB ASP 53 -19.890 -27.349 -12.684 1006 HB3 ASP 53 3HB ASP 53 -19.016 -26.528 -11.400 1007 H GLY 54 H GLY 54 -22.658 -24.725 -11.397 1008 HA2 GLY 54 2HA GLY 54 -21.803 -22.423 -9.765 1009 HA3 GLY 54 3HA GLY 54 -23.458 -22.936 -10.099 1010 H VAL 55 H VAL 55 -20.515 -23.899 -8.400 1011 HA VAL 55 HA VAL 55 -21.769 -25.962 -6.855 1012 HB VAL 55 HB VAL 55 -19.446 -26.230 -7.510 1013 HG11 VAL 55 1HG1 VAL 55 -18.712 -23.893 -7.570 1014 HG12 VAL 55 2HG1 VAL 55 -17.600 -24.870 -6.608 1015 HG13 VAL 55 3HG1 VAL 55 -18.765 -23.810 -5.808 1016 HG21 VAL 55 1HG2 VAL 55 -18.425 -26.889 -5.348 1017 HG22 VAL 55 2HG2 VAL 55 -20.128 -27.346 -5.421 1018 HG23 VAL 55 3HG2 VAL 55 -19.636 -25.935 -4.487 1019 HA PRO 56 HA PRO 56 -23.052 -23.240 -3.386 1020 HB2 PRO 56 2HB PRO 56 -24.236 -25.165 -1.852 1021 HB3 PRO 56 3HB PRO 56 -25.008 -24.538 -3.322 1022 HG2 PRO 56 2HG PRO 56 -23.446 -27.070 -2.955 1023 HG3 PRO 56 3HG PRO 56 -24.982 -26.813 -3.814 1024 HD2 PRO 56 2HD PRO 56 -22.582 -26.965 -5.113 1025 HD3 PRO 56 3HD PRO 56 -23.939 -25.983 -5.711 1026 H GLN 57 H GLN 57 -22.742 -23.393 -0.905 1027 HA GLN 57 HA GLN 57 -20.066 -23.764 -0.187 1028 HB2 GLN 57 2HB GLN 57 -22.414 -23.806 1.754 1029 HB3 GLN 57 3HB GLN 57 -20.752 -23.391 2.134 1030 HG2 GLN 57 2HG GLN 57 -22.672 -21.788 0.438 1031 HG3 GLN 57 3HG GLN 57 -22.089 -21.383 2.050 1032 HE21 GLN 57 1HE2 GLN 57 -19.292 -22.108 1.505 1033 HE22 GLN 57 2HE2 GLN 57 -18.701 -20.894 0.435 1034 HA PRO 58 HA PRO 58 -19.847 -28.279 -0.262 1035 HB2 PRO 58 2HB PRO 58 -17.518 -28.455 1.380 1036 HB3 PRO 58 3HB PRO 58 -17.564 -28.323 -0.380 1037 HG2 PRO 58 2HG PRO 58 -17.109 -26.189 1.640 1038 HG3 PRO 58 3HG PRO 58 -16.420 -26.369 0.010 1039 HD2 PRO 58 2HD PRO 58 -18.368 -24.579 0.522 1040 HD3 PRO 58 3HD PRO 58 -18.299 -25.445 -1.026 1041 H GLU 59 H GLU 59 -19.311 -26.727 2.927 1042 HA GLU 59 HA GLU 59 -21.200 -28.613 4.164 1043 HB2 GLU 59 2HB GLU 59 -18.967 -29.626 4.484 1044 HB3 GLU 59 3HB GLU 59 -18.361 -28.129 5.185 1045 HG2 GLU 59 2HG GLU 59 -18.823 -29.839 6.893 1046 HG3 GLU 59 3HG GLU 59 -19.815 -28.405 7.127 1047 H ALA 60 H ALA 60 -18.916 -26.072 5.255 1048 HA ALA 60 HA ALA 60 -19.109 -24.133 6.385 1049 HB1 ALA 60 1HB ALA 60 -20.222 -23.428 4.290 1050 HB2 ALA 60 2HB ALA 60 -20.889 -22.591 5.693 1051 HB3 ALA 60 3HB ALA 60 -21.784 -23.920 4.957 1052 H LEU 61 H LEU 61 -19.329 -25.837 8.216 1053 HA LEU 61 HA LEU 61 -21.773 -25.307 9.812 1054 HB2 LEU 61 2HB LEU 61 -21.728 -27.597 8.626 1055 HB3 LEU 61 3HB LEU 61 -20.384 -28.027 9.656 1056 HG LEU 61 HG LEU 61 -22.628 -28.964 10.359 1057 HD11 LEU 61 1HD1 LEU 61 -20.812 -28.839 12.014 1058 HD12 LEU 61 2HD1 LEU 61 -22.386 -28.622 12.767 1059 HD13 LEU 61 3HD1 LEU 61 -21.341 -27.224 12.495 1060 HD21 LEU 61 1HD2 LEU 61 -24.033 -27.033 9.785 1061 HD22 LEU 61 2HD2 LEU 61 -23.304 -26.091 11.085 1062 HD23 LEU 61 3HD2 LEU 61 -24.283 -27.511 11.463 1063 H GLU 62 H GLU 62 -21.389 -24.831 11.906 1064 HA GLU 62 HA GLU 62 -18.928 -25.558 13.285 1065 HB2 GLU 62 2HB GLU 62 -18.408 -23.318 12.306 1066 HB3 GLU 62 3HB GLU 62 -19.859 -22.650 13.052 1067 HG2 GLU 62 2HG GLU 62 -18.874 -23.282 15.312 1068 HG3 GLU 62 3HG GLU 62 -17.382 -23.692 14.473 Start of MODEL 8 1 H1 MET 1 1H MET 1 -0.013 -14.882 -5.677 2 H2 MET 1 2H MET 1 0.252 -15.897 -6.998 3 H3 MET 1 3H MET 1 0.477 -16.483 -5.427 4 HA MET 1 HA MET 1 -1.563 -17.313 -6.338 5 HB2 MET 1 2HB MET 1 -2.009 -15.210 -4.181 6 HB3 MET 1 3HB MET 1 -3.131 -16.517 -4.556 7 HG2 MET 1 2HG MET 1 -0.322 -16.817 -3.469 8 HG3 MET 1 3HG MET 1 -1.835 -17.108 -2.603 9 HE1 MET 1 1HE MET 1 -0.814 -19.562 -1.915 10 HE2 MET 1 2HE MET 1 0.642 -19.213 -2.848 11 HE3 MET 1 3HE MET 1 -0.237 -20.721 -3.112 12 H GLU 2 H GLU 2 -1.161 -13.859 -6.689 13 HA GLU 2 HA GLU 2 -3.611 -13.389 -8.165 14 HB2 GLU 2 2HB GLU 2 -1.069 -11.692 -7.985 15 HB3 GLU 2 3HB GLU 2 -2.638 -11.137 -8.554 16 HG2 GLU 2 2HG GLU 2 -3.569 -11.178 -6.355 17 HG3 GLU 2 3HG GLU 2 -2.240 -12.152 -5.732 18 H GLU 3 H GLU 3 -3.568 -14.894 -9.915 19 HA GLU 3 HA GLU 3 -1.230 -14.964 -11.669 20 HB2 GLU 3 2HB GLU 3 -2.248 -17.101 -11.075 21 HB3 GLU 3 3HB GLU 3 -3.797 -16.593 -11.738 22 HG2 GLU 3 2HG GLU 3 -2.455 -18.186 -13.176 23 HG3 GLU 3 3HG GLU 3 -2.993 -16.712 -13.974 24 H LEU 4 H LEU 4 -1.316 -12.859 -12.326 25 HA LEU 4 HA LEU 4 -3.381 -12.115 -14.323 26 HB2 LEU 4 2HB LEU 4 -1.717 -10.210 -12.617 27 HB3 LEU 4 3HB LEU 4 -3.009 -9.768 -13.716 28 HG LEU 4 HG LEU 4 -3.321 -11.233 -11.065 29 HD11 LEU 4 1HD1 LEU 4 -4.169 -8.421 -11.856 30 HD12 LEU 4 2HD1 LEU 4 -2.836 -8.847 -10.778 31 HD13 LEU 4 3HD1 LEU 4 -4.494 -9.209 -10.310 32 HD21 LEU 4 1HD2 LEU 4 -5.468 -10.447 -13.060 33 HD22 LEU 4 2HD2 LEU 4 -5.757 -11.070 -11.435 34 HD23 LEU 4 3HD2 LEU 4 -4.969 -12.088 -12.635 35 H SER 5 H SER 5 -2.159 -13.090 -15.988 36 HA SER 5 HA SER 5 -0.553 -11.330 -17.445 37 HB2 SER 5 2HB SER 5 1.593 -12.690 -17.552 38 HB3 SER 5 3HB SER 5 1.332 -11.883 -16.009 39 HG SER 5 HG SER 5 0.210 -14.337 -15.948 40 H GLY 6 H GLY 6 -0.726 -11.903 -19.573 41 HA2 GLY 6 2HA GLY 6 -1.187 -13.137 -21.466 42 HA3 GLY 6 3HA GLY 6 -1.210 -14.603 -20.499 43 H LYS 7 H LYS 7 -3.150 -14.627 -18.880 44 HA LYS 7 HA LYS 7 -5.636 -14.228 -20.338 45 HB2 LYS 7 2HB LYS 7 -6.716 -15.517 -18.666 46 HB3 LYS 7 3HB LYS 7 -5.151 -16.278 -18.861 47 HG2 LYS 7 2HG LYS 7 -5.734 -14.311 -16.617 48 HG3 LYS 7 3HG LYS 7 -6.057 -16.032 -16.466 49 HD2 LYS 7 2HD LYS 7 -3.312 -14.877 -17.083 50 HD3 LYS 7 3HD LYS 7 -3.864 -15.285 -15.458 51 HE2 LYS 7 2HE LYS 7 -3.565 -17.228 -17.774 52 HE3 LYS 7 3HE LYS 7 -2.483 -17.085 -16.388 53 HZ1 LYS 7 1HZ LYS 7 -4.397 -17.659 -14.959 54 HZ2 LYS 7 2HZ LYS 7 -3.959 -18.900 -16.021 55 HZ3 LYS 7 3HZ LYS 7 -5.320 -17.950 -16.345 56 HA PRO 8 HA PRO 8 -6.865 -10.499 -17.954 57 HB2 PRO 8 2HB PRO 8 -9.560 -10.644 -18.073 58 HB3 PRO 8 3HB PRO 8 -8.601 -10.319 -19.528 59 HG2 PRO 8 2HG PRO 8 -9.748 -12.946 -18.607 60 HG3 PRO 8 3HG PRO 8 -9.866 -12.171 -20.206 61 HD2 PRO 8 2HD PRO 8 -8.015 -14.079 -19.706 62 HD3 PRO 8 3HD PRO 8 -7.683 -12.698 -20.783 63 H LEU 9 H LEU 9 -8.289 -9.941 -16.003 64 HA LEU 9 HA LEU 9 -7.897 -11.938 -13.942 65 HB2 LEU 9 2HB LEU 9 -8.747 -10.123 -12.389 66 HB3 LEU 9 3HB LEU 9 -7.289 -9.769 -13.283 67 HG LEU 9 HG LEU 9 -8.800 -8.415 -14.911 68 HD11 LEU 9 1HD1 LEU 9 -10.837 -7.435 -13.986 69 HD12 LEU 9 2HD1 LEU 9 -10.729 -8.490 -12.575 70 HD13 LEU 9 3HD1 LEU 9 -11.001 -9.182 -14.175 71 HD21 LEU 9 1HD2 LEU 9 -7.174 -7.390 -13.405 72 HD22 LEU 9 2HD2 LEU 9 -8.352 -7.392 -12.090 73 HD23 LEU 9 3HD2 LEU 9 -8.628 -6.400 -13.525 74 H SER 10 H SER 10 -9.409 -13.052 -12.859 75 HA SER 10 HA SER 10 -12.194 -13.109 -13.770 76 HB2 SER 10 2HB SER 10 -10.715 -14.871 -11.768 77 HB3 SER 10 3HB SER 10 -12.309 -15.190 -12.451 78 HG SER 10 HG SER 10 -10.331 -16.242 -13.415 79 H TYR 11 H TYR 11 -13.758 -13.569 -11.719 80 HA TYR 11 HA TYR 11 -14.004 -11.207 -10.236 81 HB2 TYR 11 2HB TYR 11 -15.966 -12.594 -10.570 82 HB3 TYR 11 3HB TYR 11 -15.217 -13.960 -9.746 83 HD1 TYR 11 HD1 TYR 11 -15.986 -10.338 -8.968 84 HD2 TYR 11 HD2 TYR 11 -16.059 -14.383 -7.577 85 HE1 TYR 11 HE1 TYR 11 -16.930 -9.592 -6.830 86 HE2 TYR 11 HE2 TYR 11 -17.008 -13.628 -5.441 87 HH TYR 11 HH TYR 11 -18.349 -10.642 -4.977 88 H ALA 12 H ALA 12 -12.656 -14.359 -9.268 89 HA ALA 12 HA ALA 12 -12.115 -13.726 -6.570 90 HB1 ALA 12 1HB ALA 12 -12.227 -16.039 -7.399 91 HB2 ALA 12 2HB ALA 12 -10.712 -15.733 -6.546 92 HB3 ALA 12 3HB ALA 12 -10.739 -15.791 -8.308 93 H GLU 13 H GLU 13 -10.150 -13.361 -9.511 94 HA GLU 13 HA GLU 13 -7.745 -12.519 -8.233 95 HB2 GLU 13 2HB GLU 13 -8.686 -11.912 -11.068 96 HB3 GLU 13 3HB GLU 13 -7.039 -11.774 -10.471 97 HG2 GLU 13 2HG GLU 13 -8.639 -14.283 -10.955 98 HG3 GLU 13 3HG GLU 13 -7.140 -13.780 -11.743 99 H LYS 14 H LYS 14 -10.569 -10.844 -9.467 100 HA LYS 14 HA LYS 14 -9.574 -8.177 -9.237 101 HB2 LYS 14 2HB LYS 14 -11.318 -8.857 -10.858 102 HB3 LYS 14 3HB LYS 14 -12.428 -9.226 -9.554 103 HG2 LYS 14 2HG LYS 14 -11.333 -6.435 -9.712 104 HG3 LYS 14 3HG LYS 14 -12.514 -6.913 -10.919 105 HD2 LYS 14 2HD LYS 14 -12.931 -6.976 -7.908 106 HD3 LYS 14 3HD LYS 14 -13.557 -5.753 -9.015 107 HE2 LYS 14 2HE LYS 14 -14.894 -7.477 -10.175 108 HE3 LYS 14 3HE LYS 14 -14.282 -8.700 -9.051 109 HZ1 LYS 14 1HZ LYS 14 -15.877 -6.299 -8.280 110 HZ2 LYS 14 2HZ LYS 14 -15.322 -7.494 -7.221 111 HZ3 LYS 14 3HZ LYS 14 -16.478 -7.874 -8.390 112 H GLU 15 H GLU 15 -11.362 -10.363 -7.080 113 HA GLU 15 HA GLU 15 -12.093 -8.258 -5.221 114 HB2 GLU 15 2HB GLU 15 -13.184 -9.917 -3.881 115 HB3 GLU 15 3HB GLU 15 -13.531 -10.307 -5.559 116 HG2 GLU 15 2HG GLU 15 -11.845 -12.081 -5.516 117 HG3 GLU 15 3HG GLU 15 -11.448 -11.681 -3.847 118 H LYS 16 H LYS 16 -9.612 -10.857 -5.353 119 HA LYS 16 HA LYS 16 -8.472 -10.297 -2.805 120 HB2 LYS 16 2HB LYS 16 -6.600 -11.663 -3.431 121 HB3 LYS 16 3HB LYS 16 -8.019 -12.401 -4.158 122 HG2 LYS 16 2HG LYS 16 -7.417 -11.375 -6.342 123 HG3 LYS 16 3HG LYS 16 -5.985 -10.670 -5.598 124 HD2 LYS 16 2HD LYS 16 -5.373 -12.657 -6.869 125 HD3 LYS 16 3HD LYS 16 -5.102 -12.949 -5.152 126 HE2 LYS 16 2HE LYS 16 -7.070 -14.318 -5.007 127 HE3 LYS 16 3HE LYS 16 -7.586 -13.847 -6.629 128 HZ1 LYS 16 1HZ LYS 16 -5.147 -15.425 -5.990 129 HZ2 LYS 16 2HZ LYS 16 -5.660 -14.980 -7.542 130 HZ3 LYS 16 3HZ LYS 16 -6.592 -16.042 -6.616 131 H LEU 17 H LEU 17 -8.121 -8.903 -5.986 132 HA LEU 17 HA LEU 17 -5.819 -7.314 -5.490 133 HB2 LEU 17 2HB LEU 17 -7.262 -7.989 -7.745 134 HB3 LEU 17 3HB LEU 17 -7.781 -6.330 -7.532 135 HG LEU 17 HG LEU 17 -5.887 -6.408 -9.071 136 HD11 LEU 17 1HD1 LEU 17 -4.959 -5.261 -6.405 137 HD12 LEU 17 2HD1 LEU 17 -6.002 -4.445 -7.576 138 HD13 LEU 17 3HD1 LEU 17 -4.344 -4.837 -8.010 139 HD21 LEU 17 1HD2 LEU 17 -4.906 -8.546 -8.311 140 HD22 LEU 17 2HD2 LEU 17 -4.311 -7.763 -6.843 141 HD23 LEU 17 3HD2 LEU 17 -3.683 -7.279 -8.421 142 H LYS 18 H LYS 18 -9.332 -6.497 -5.451 143 HA LYS 18 HA LYS 18 -8.949 -3.746 -4.872 144 HB2 LYS 18 2HB LYS 18 -11.361 -3.617 -4.538 145 HB3 LYS 18 3HB LYS 18 -11.003 -4.611 -5.936 146 HG2 LYS 18 2HG LYS 18 -12.669 -5.886 -5.005 147 HG3 LYS 18 3HG LYS 18 -11.291 -6.597 -4.170 148 HD2 LYS 18 2HD LYS 18 -11.758 -5.098 -2.211 149 HD3 LYS 18 3HD LYS 18 -13.171 -4.470 -3.063 150 HE2 LYS 18 2HE LYS 18 -13.959 -6.110 -1.506 151 HE3 LYS 18 3HE LYS 18 -14.079 -6.843 -3.106 152 HZ1 LYS 18 1HZ LYS 18 -13.182 -8.386 -1.501 153 HZ2 LYS 18 2HZ LYS 18 -11.923 -7.331 -1.116 154 HZ3 LYS 18 3HZ LYS 18 -12.003 -8.024 -2.653 155 H GLU 19 H GLU 19 -9.331 -6.583 -2.771 156 HA GLU 19 HA GLU 19 -9.546 -5.057 -0.321 157 HB2 GLU 19 2HB GLU 19 -9.498 -7.160 0.854 158 HB3 GLU 19 3HB GLU 19 -10.512 -7.350 -0.569 159 HG2 GLU 19 2HG GLU 19 -8.514 -8.424 -1.718 160 HG3 GLU 19 3HG GLU 19 -7.711 -8.407 -0.152 161 H LYS 20 H LYS 20 -6.913 -6.553 -2.176 162 HA LYS 20 HA LYS 20 -4.760 -6.062 -0.459 163 HB2 LYS 20 2HB LYS 20 -3.972 -7.193 -2.302 164 HB3 LYS 20 3HB LYS 20 -5.055 -6.370 -3.410 165 HG2 LYS 20 2HG LYS 20 -3.582 -4.489 -3.620 166 HG3 LYS 20 3HG LYS 20 -2.611 -4.990 -2.238 167 HD2 LYS 20 2HD LYS 20 -2.780 -6.532 -4.854 168 HD3 LYS 20 3HD LYS 20 -1.515 -5.366 -4.468 169 HE2 LYS 20 2HE LYS 20 -0.968 -6.783 -2.433 170 HE3 LYS 20 3HE LYS 20 -2.078 -7.996 -3.074 171 HZ1 LYS 20 1HZ LYS 20 -0.712 -8.073 -5.099 172 HZ2 LYS 20 2HZ LYS 20 0.162 -8.506 -3.717 173 HZ3 LYS 20 3HZ LYS 20 0.375 -6.976 -4.400 174 H LEU 21 H LEU 21 -6.260 -3.909 -2.852 175 HA LEU 21 HA LEU 21 -4.526 -1.718 -2.621 176 HB2 LEU 21 2HB LEU 21 -7.464 -1.692 -3.426 177 HB3 LEU 21 3HB LEU 21 -6.301 -0.423 -3.774 178 HG LEU 21 HG LEU 21 -6.242 -3.240 -4.919 179 HD11 LEU 21 1HD1 LEU 21 -8.067 -1.923 -5.862 180 HD12 LEU 21 2HD1 LEU 21 -6.811 -2.206 -7.062 181 HD13 LEU 21 3HD1 LEU 21 -6.943 -0.627 -6.286 182 HD21 LEU 21 1HD2 LEU 21 -4.400 -0.914 -5.540 183 HD22 LEU 21 2HD2 LEU 21 -4.413 -2.481 -6.354 184 HD23 LEU 21 3HD2 LEU 21 -3.966 -2.380 -4.655 185 H ALA 22 H ALA 22 -7.652 -2.371 -1.050 186 HA ALA 22 HA ALA 22 -7.845 0.071 0.423 187 HB1 ALA 22 1HB ALA 22 -9.232 -2.597 0.926 188 HB2 ALA 22 2HB ALA 22 -9.816 -1.312 -0.131 189 HB3 ALA 22 3HB ALA 22 -9.708 -1.032 1.605 190 H PHE 23 H PHE 23 -6.559 -3.143 1.241 191 HA PHE 23 HA PHE 23 -6.232 -2.757 4.035 192 HB2 PHE 23 2HB PHE 23 -6.272 -5.004 3.082 193 HB3 PHE 23 3HB PHE 23 -4.839 -4.675 2.119 194 HD1 PHE 23 HD1 PHE 23 -6.008 -4.908 5.676 195 HD2 PHE 23 HD2 PHE 23 -2.705 -5.261 2.985 196 HE1 PHE 23 HE1 PHE 23 -4.610 -5.791 7.498 197 HE2 PHE 23 HE2 PHE 23 -1.315 -6.138 4.810 198 HZ PHE 23 HZ PHE 23 -2.265 -6.406 7.071 199 H LEU 24 H LEU 24 -3.818 -2.653 1.388 200 HA LEU 24 HA LEU 24 -1.707 -1.743 3.028 201 HB2 LEU 24 2HB LEU 24 -0.408 -1.391 0.991 202 HB3 LEU 24 3HB LEU 24 -1.216 -2.936 0.981 203 HG LEU 24 HG LEU 24 -2.968 -1.800 -0.592 204 HD11 LEU 24 1HD1 LEU 24 -0.702 0.180 -0.971 205 HD12 LEU 24 2HD1 LEU 24 -2.305 0.529 -0.321 206 HD13 LEU 24 3HD1 LEU 24 -2.131 0.026 -1.995 207 HD21 LEU 24 1HD2 LEU 24 -0.157 -2.365 -1.608 208 HD22 LEU 24 2HD2 LEU 24 -1.620 -2.307 -2.598 209 HD23 LEU 24 3HD2 LEU 24 -1.445 -3.548 -1.360 210 H LYS 25 H LYS 25 -4.229 -0.058 1.275 211 HA LYS 25 HA LYS 25 -3.182 2.579 1.340 212 HB2 LYS 25 2HB LYS 25 -5.040 2.008 -0.118 213 HB3 LYS 25 3HB LYS 25 -6.051 1.553 1.248 214 HG2 LYS 25 2HG LYS 25 -6.189 3.889 1.968 215 HG3 LYS 25 3HG LYS 25 -5.086 4.386 0.680 216 HD2 LYS 25 2HD LYS 25 -7.843 3.149 0.283 217 HD3 LYS 25 3HD LYS 25 -7.446 4.857 0.090 218 HE2 LYS 25 2HE LYS 25 -5.914 4.297 -1.760 219 HE3 LYS 25 3HE LYS 25 -6.295 2.584 -1.560 220 HZ1 LYS 25 1HZ LYS 25 -7.530 3.606 -3.379 221 HZ2 LYS 25 2HZ LYS 25 -8.249 4.691 -2.305 222 HZ3 LYS 25 3HZ LYS 25 -8.577 3.040 -2.172 223 H LYS 26 H LYS 26 -5.427 0.912 3.600 224 HA LYS 26 HA LYS 26 -5.865 3.210 5.240 225 HB2 LYS 26 2HB LYS 26 -7.027 1.713 6.796 226 HB3 LYS 26 3HB LYS 26 -7.518 1.372 5.142 227 HG2 LYS 26 2HG LYS 26 -6.042 -0.605 5.104 228 HG3 LYS 26 3HG LYS 26 -5.526 -0.260 6.755 229 HD2 LYS 26 2HD LYS 26 -7.865 -0.608 7.543 230 HD3 LYS 26 3HD LYS 26 -8.356 -0.979 5.885 231 HE2 LYS 26 2HE LYS 26 -6.791 -2.915 5.875 232 HE3 LYS 26 3HE LYS 26 -6.360 -2.554 7.549 233 HZ1 LYS 26 1HZ LYS 26 -9.057 -3.305 6.566 234 HZ2 LYS 26 2HZ LYS 26 -8.683 -2.911 8.167 235 HZ3 LYS 26 3HZ LYS 26 -8.011 -4.287 7.455 236 H GLU 27 H GLU 27 -3.684 0.386 5.516 237 HA GLU 27 HA GLU 27 -2.581 1.137 8.038 238 HB2 GLU 27 2HB GLU 27 -0.838 -0.493 7.677 239 HB3 GLU 27 3HB GLU 27 -2.363 -1.174 7.127 240 HG2 GLU 27 2HG GLU 27 -1.739 -0.786 4.800 241 HG3 GLU 27 3HG GLU 27 -0.253 0.013 5.304 242 H TYR 28 H TYR 28 -1.651 1.804 4.677 243 HA TYR 28 HA TYR 28 0.789 3.118 4.995 244 HB2 TYR 28 2HB TYR 28 0.006 2.500 2.786 245 HB3 TYR 28 3HB TYR 28 -1.444 3.477 2.947 246 HD1 TYR 28 HD1 TYR 28 2.253 3.646 2.438 247 HD2 TYR 28 HD2 TYR 28 -1.434 5.801 2.266 248 HE1 TYR 28 HE1 TYR 28 3.376 5.483 1.268 249 HE2 TYR 28 HE2 TYR 28 -0.301 7.634 1.085 250 HH TYR 28 HH TYR 28 1.969 8.535 0.851 251 H SER 29 H SER 29 -2.509 4.468 5.019 252 HA SER 29 HA SER 29 -1.760 7.188 5.211 253 HB2 SER 29 2HB SER 29 -4.372 5.858 6.040 254 HB3 SER 29 3HB SER 29 -4.140 7.585 5.745 255 HG SER 29 HG SER 29 -3.501 5.677 3.768 256 H ARG 30 H ARG 30 -2.766 4.801 7.674 257 HA ARG 30 HA ARG 30 -2.629 6.516 9.940 258 HB2 ARG 30 2HB ARG 30 -3.861 4.369 9.970 259 HB3 ARG 30 3HB ARG 30 -2.354 3.480 9.779 260 HG2 ARG 30 2HG ARG 30 -1.605 4.476 12.004 261 HG3 ARG 30 3HG ARG 30 -3.247 5.092 12.193 262 HD2 ARG 30 2HD ARG 30 -2.429 2.181 11.954 263 HD3 ARG 30 3HD ARG 30 -2.975 3.008 13.416 264 HE ARG 30 HE ARG 30 -4.954 3.250 11.445 265 HH11 ARG 30 1HH1 ARG 30 -3.525 0.737 13.490 266 HH12 ARG 30 2HH1 ARG 30 -4.979 -0.218 13.510 267 HH21 ARG 30 1HH2 ARG 30 -6.836 1.993 11.515 268 HH22 ARG 30 2HH2 ARG 30 -6.840 0.494 12.397 269 H THR 31 H THR 31 -0.267 4.221 8.589 270 HA THR 31 HA THR 31 1.557 4.497 10.794 271 HB THR 31 HB THR 31 1.177 2.306 9.561 272 HG1 THR 31 HG1 THR 31 3.516 1.813 9.672 273 HG21 THR 31 1HG2 THR 31 1.388 3.139 7.219 274 HG22 THR 31 2HG2 THR 31 2.512 1.825 7.562 275 HG23 THR 31 3HG2 THR 31 3.088 3.492 7.511 276 H LEU 32 H LEU 32 1.374 5.768 7.504 277 HA LEU 32 HA LEU 32 3.910 7.084 7.498 278 HB2 LEU 32 2HB LEU 32 2.655 6.697 5.420 279 HB3 LEU 32 3HB LEU 32 1.351 7.733 5.956 280 HG LEU 32 HG LEU 32 4.121 8.939 5.615 281 HD11 LEU 32 1HD1 LEU 32 3.709 9.430 3.251 282 HD12 LEU 32 2HD1 LEU 32 2.221 8.480 3.284 283 HD13 LEU 32 3HD1 LEU 32 3.780 7.689 3.527 284 HD21 LEU 32 1HD2 LEU 32 2.357 10.360 6.574 285 HD22 LEU 32 2HD2 LEU 32 1.351 10.099 5.148 286 HD23 LEU 32 3HD2 LEU 32 2.881 10.965 5.003 287 H ALA 33 H ALA 33 0.608 8.058 8.471 288 HA ALA 33 HA ALA 33 1.024 10.742 9.082 289 HB1 ALA 33 1HB ALA 33 -0.808 8.791 10.525 290 HB2 ALA 33 2HB ALA 33 -1.198 9.670 9.043 291 HB3 ALA 33 3HB ALA 33 -0.948 10.554 10.548 292 H ARG 34 H ARG 34 1.299 7.946 11.297 293 HA ARG 34 HA ARG 34 2.141 9.423 13.584 294 HB2 ARG 34 2HB ARG 34 2.449 7.269 14.648 295 HB3 ARG 34 3HB ARG 34 0.998 7.196 13.659 296 HG2 ARG 34 2HG ARG 34 2.455 6.087 11.859 297 HG3 ARG 34 3HG ARG 34 3.692 5.938 13.106 298 HD2 ARG 34 2HD ARG 34 0.913 4.721 13.178 299 HD3 ARG 34 3HD ARG 34 2.433 3.863 12.895 300 HE ARG 34 HE ARG 34 2.430 5.282 15.381 301 HH11 ARG 34 1HH1 ARG 34 1.408 2.285 13.848 302 HH12 ARG 34 2HH1 ARG 34 1.374 1.396 15.333 303 HH21 ARG 34 1HH2 ARG 34 2.356 4.142 17.319 304 HH22 ARG 34 2HH2 ARG 34 1.920 2.463 17.325 305 H LEU 35 H LEU 35 3.887 7.722 11.001 306 HA LEU 35 HA LEU 35 6.528 7.778 11.944 307 HB2 LEU 35 2HB LEU 35 5.452 6.774 9.720 308 HB3 LEU 35 3HB LEU 35 5.899 8.308 9.017 309 HG LEU 35 HG LEU 35 7.739 6.126 10.076 310 HD11 LEU 35 1HD1 LEU 35 7.504 7.380 7.324 311 HD12 LEU 35 2HD1 LEU 35 6.901 5.794 7.809 312 HD13 LEU 35 3HD1 LEU 35 8.633 6.107 7.800 313 HD21 LEU 35 1HD2 LEU 35 8.760 8.192 10.823 314 HD22 LEU 35 2HD2 LEU 35 8.597 8.895 9.215 315 HD23 LEU 35 3HD2 LEU 35 9.677 7.530 9.472 316 H GLN 36 H GLN 36 4.657 10.155 10.086 317 HA GLN 36 HA GLN 36 6.666 12.105 9.825 318 HB2 GLN 36 2HB GLN 36 3.639 12.421 9.726 319 HB3 GLN 36 3HB GLN 36 4.781 13.690 9.293 320 HG2 GLN 36 2HG GLN 36 4.423 11.026 7.899 321 HG3 GLN 36 3HG GLN 36 3.959 12.609 7.283 322 HE21 GLN 36 1HE2 GLN 36 5.782 10.522 6.211 323 HE22 GLN 36 2HE2 GLN 36 7.283 11.328 5.917 324 H ARG 37 H ARG 37 4.000 11.791 12.208 325 HA ARG 37 HA ARG 37 4.405 14.220 13.561 326 HB2 ARG 37 2HB ARG 37 3.280 11.609 14.676 327 HB3 ARG 37 3HB ARG 37 3.120 13.184 15.448 328 HG2 ARG 37 2HG ARG 37 1.934 12.335 12.796 329 HG3 ARG 37 3HG ARG 37 1.059 12.639 14.294 330 HD2 ARG 37 2HD ARG 37 2.609 14.748 12.742 331 HD3 ARG 37 3HD ARG 37 0.864 14.484 12.636 332 HE ARG 37 HE ARG 37 1.921 14.985 15.296 333 HH11 ARG 37 1HH1 ARG 37 0.390 16.427 12.466 334 HH12 ARG 37 2HH1 ARG 37 -0.186 17.811 13.338 335 HH21 ARG 37 1HH2 ARG 37 1.161 16.810 16.422 336 HH22 ARG 37 2HH2 ARG 37 0.254 18.026 15.577 337 H ALA 38 H ALA 38 5.951 11.096 14.006 338 HA ALA 38 HA ALA 38 7.453 11.721 16.344 339 HB1 ALA 38 1HB ALA 38 8.725 9.691 15.818 340 HB2 ALA 38 2HB ALA 38 8.022 9.646 14.198 341 HB3 ALA 38 3HB ALA 38 6.997 9.412 15.616 342 H LYS 39 H LYS 39 8.368 11.719 12.872 343 HA LYS 39 HA LYS 39 11.083 12.562 13.390 344 HB2 LYS 39 2HB LYS 39 11.430 12.341 11.010 345 HB3 LYS 39 3HB LYS 39 10.451 10.988 11.555 346 HG2 LYS 39 2HG LYS 39 8.412 12.215 10.714 347 HG3 LYS 39 3HG LYS 39 9.485 13.428 10.022 348 HD2 LYS 39 2HD LYS 39 9.423 10.476 9.293 349 HD3 LYS 39 3HD LYS 39 8.749 11.783 8.328 350 HE2 LYS 39 2HE LYS 39 11.687 11.447 9.000 351 HE3 LYS 39 3HE LYS 39 10.929 11.011 7.468 352 HZ1 LYS 39 1HZ LYS 39 11.020 13.755 8.604 353 HZ2 LYS 39 2HZ LYS 39 10.347 13.309 7.120 354 HZ3 LYS 39 3HZ LYS 39 12.010 13.164 7.370 355 H ARG 40 H ARG 40 8.150 14.284 12.797 356 HA ARG 40 HA ARG 40 9.393 16.704 11.746 357 HB2 ARG 40 2HB ARG 40 6.536 16.240 12.735 358 HB3 ARG 40 3HB ARG 40 7.109 17.738 12.013 359 HG2 ARG 40 2HG ARG 40 6.860 15.046 10.649 360 HG3 ARG 40 3HG ARG 40 5.863 16.467 10.369 361 HD2 ARG 40 2HD ARG 40 7.802 17.654 9.425 362 HD3 ARG 40 3HD ARG 40 8.828 16.255 9.754 363 HE ARG 40 HE ARG 40 6.590 15.541 8.138 364 HH11 ARG 40 1HH1 ARG 40 9.776 17.077 7.930 365 HH12 ARG 40 2HH1 ARG 40 9.967 16.688 6.248 366 HH21 ARG 40 1HH2 ARG 40 6.873 15.061 5.976 367 HH22 ARG 40 2HH2 ARG 40 8.316 15.540 5.139 368 H ALA 41 H ALA 41 7.802 15.694 14.763 369 HA ALA 41 HA ALA 41 8.368 18.019 16.290 370 HB1 ALA 41 1HB ALA 41 7.759 16.642 18.249 371 HB2 ALA 41 2HB ALA 41 7.833 15.175 17.267 372 HB3 ALA 41 3HB ALA 41 6.614 16.409 16.932 373 H GLU 42 H GLU 42 10.092 14.955 15.833 374 HA GLU 42 HA GLU 42 12.107 14.132 16.416 375 HB2 GLU 42 2HB GLU 42 12.938 17.064 16.278 376 HB3 GLU 42 3HB GLU 42 14.067 15.715 16.371 377 HG2 GLU 42 2HG GLU 42 13.081 14.822 14.244 378 HG3 GLU 42 3HG GLU 42 12.117 16.287 14.128 379 H LYS 43 H LYS 43 10.259 14.906 18.559 380 HA LYS 43 HA LYS 43 11.600 15.704 20.908 381 HB2 LYS 43 2HB LYS 43 9.691 14.904 22.132 382 HB3 LYS 43 3HB LYS 43 9.076 15.544 20.620 383 HG2 LYS 43 2HG LYS 43 9.473 12.598 21.231 384 HG3 LYS 43 3HG LYS 43 7.940 13.455 21.340 385 HD2 LYS 43 2HD LYS 43 8.132 13.942 18.856 386 HD3 LYS 43 3HD LYS 43 9.564 12.907 18.830 387 HE2 LYS 43 2HE LYS 43 7.657 11.600 18.096 388 HE3 LYS 43 3HE LYS 43 8.140 11.012 19.685 389 HZ1 LYS 43 1HZ LYS 43 5.930 12.937 19.190 390 HZ2 LYS 43 2HZ LYS 43 6.349 12.263 20.675 391 HZ3 LYS 43 3HZ LYS 43 5.725 11.281 19.450 392 H ALA 44 H ALA 44 11.502 12.705 19.183 393 HA ALA 44 HA ALA 44 12.454 10.893 21.152 394 HB1 ALA 44 1HB ALA 44 11.288 10.216 19.090 395 HB2 ALA 44 2HB ALA 44 12.845 9.404 19.248 396 HB3 ALA 44 3HB ALA 44 12.663 10.761 18.128 397 H LYS 45 H LYS 45 14.063 13.402 19.489 398 HA LYS 45 HA LYS 45 16.570 12.475 18.818 399 HB2 LYS 45 2HB LYS 45 15.604 14.773 18.395 400 HB3 LYS 45 3HB LYS 45 15.923 15.185 20.075 401 HG2 LYS 45 2HG LYS 45 18.347 14.882 19.681 402 HG3 LYS 45 3HG LYS 45 18.022 14.482 17.993 403 HD2 LYS 45 2HD LYS 45 17.510 17.144 19.373 404 HD3 LYS 45 3HD LYS 45 18.736 16.810 18.152 405 HE2 LYS 45 2HE LYS 45 15.726 16.847 17.747 406 HE3 LYS 45 3HE LYS 45 16.891 18.012 17.122 407 HZ1 LYS 45 1HZ LYS 45 16.291 16.502 15.381 408 HZ2 LYS 45 2HZ LYS 45 16.641 15.157 16.338 409 HZ3 LYS 45 3HZ LYS 45 17.887 16.173 15.825 410 H ASN 46 H ASN 46 15.608 13.977 21.907 411 HA ASN 46 HA ASN 46 16.336 13.872 24.048 412 HB2 ASN 46 2HB ASN 46 16.895 11.013 23.140 413 HB3 ASN 46 3HB ASN 46 17.178 11.516 24.799 414 HD21 ASN 46 1HD2 ASN 46 14.442 12.528 22.762 415 HD22 ASN 46 2HD2 ASN 46 13.238 11.742 23.708 416 H SER 47 H SER 47 18.213 14.927 22.110 417 HA SER 47 HA SER 47 20.854 13.894 22.568 418 HB2 SER 47 2HB SER 47 20.236 14.939 20.404 419 HB3 SER 47 3HB SER 47 19.988 16.486 21.214 420 HG SER 47 HG SER 47 22.272 15.420 20.292 421 H LYS 48 H LYS 48 20.874 13.961 24.825 422 HA LYS 48 HA LYS 48 21.741 16.500 26.036 423 HB2 LYS 48 2HB LYS 48 19.756 14.558 27.348 424 HB3 LYS 48 3HB LYS 48 20.441 15.974 28.116 425 HG2 LYS 48 2HG LYS 48 18.786 16.339 25.624 426 HG3 LYS 48 3HG LYS 48 17.979 16.002 27.149 427 HD2 LYS 48 2HD LYS 48 17.983 18.379 26.885 428 HD3 LYS 48 3HD LYS 48 19.163 18.004 28.136 429 HE2 LYS 48 2HE LYS 48 20.960 18.222 26.379 430 HE3 LYS 48 3HE LYS 48 19.719 18.795 25.265 431 HZ1 LYS 48 1HZ LYS 48 20.400 20.086 27.868 432 HZ2 LYS 48 2HZ LYS 48 19.270 20.647 26.745 433 HZ3 LYS 48 3HZ LYS 48 20.908 20.630 26.351 434 H LYS 49 H LYS 49 21.110 13.133 26.854 435 HA LYS 49 HA LYS 49 23.883 12.354 27.073 436 HB2 LYS 49 2HB LYS 49 23.841 11.705 29.426 437 HB3 LYS 49 3HB LYS 49 23.464 13.422 29.312 438 HG2 LYS 49 2HG LYS 49 21.131 13.043 29.753 439 HG3 LYS 49 3HG LYS 49 21.311 11.296 29.562 440 HD2 LYS 49 2HD LYS 49 22.822 11.312 31.599 441 HD3 LYS 49 3HD LYS 49 22.405 13.014 31.826 442 HE2 LYS 49 2HE LYS 49 20.021 12.389 32.013 443 HE3 LYS 49 3HE LYS 49 20.460 10.691 31.808 444 HZ1 LYS 49 1HZ LYS 49 20.138 11.263 34.140 445 HZ2 LYS 49 2HZ LYS 49 21.346 12.439 34.044 446 HZ3 LYS 49 3HZ LYS 49 21.740 10.812 33.850 447 H ALA 50 H ALA 50 23.708 9.959 28.283 448 HA ALA 50 HA ALA 50 21.992 8.306 26.685 449 HB1 ALA 50 1HB ALA 50 22.852 6.440 28.058 450 HB2 ALA 50 2HB ALA 50 23.629 7.589 29.145 451 HB3 ALA 50 3HB ALA 50 24.170 7.459 27.472 452 H ILE 51 H ILE 51 19.918 8.995 27.027 453 HA ILE 51 HA ILE 51 18.600 9.188 29.562 454 HB ILE 51 HB ILE 51 16.440 9.070 28.160 455 HG12 ILE 51 2HG1 ILE 51 16.917 9.543 25.603 456 HG13 ILE 51 3HG1 ILE 51 18.459 8.760 25.891 457 HG21 ILE 51 1HG2 ILE 51 16.786 11.333 27.205 458 HG22 ILE 51 2HG2 ILE 51 18.530 11.153 27.396 459 HG23 ILE 51 3HG2 ILE 51 17.487 11.193 28.818 460 HD11 ILE 51 1HD1 ILE 51 17.309 6.680 26.451 461 HD12 ILE 51 2HD1 ILE 51 16.804 7.276 24.869 462 HD13 ILE 51 3HD1 ILE 51 15.746 7.481 26.265 463 H GLU 52 H GLU 52 19.357 6.594 27.434 464 HA GLU 52 HA GLU 52 17.828 4.545 28.747 465 HB2 GLU 52 2HB GLU 52 19.240 3.001 27.320 466 HB3 GLU 52 3HB GLU 52 18.352 4.214 26.410 467 HG2 GLU 52 2HG GLU 52 20.465 5.587 26.311 468 HG3 GLU 52 3HG GLU 52 21.310 4.238 27.062 469 H ASP 53 H ASP 53 18.288 4.320 30.884 470 HA ASP 53 HA ASP 53 20.948 4.567 31.993 471 HB2 ASP 53 2HB ASP 53 18.916 5.216 33.261 472 HB3 ASP 53 3HB ASP 53 18.328 3.561 33.208 473 H GLY 54 H GLY 54 22.068 2.876 33.065 474 HA2 GLY 54 2HA GLY 54 21.666 0.143 31.964 475 HA3 GLY 54 3HA GLY 54 23.224 0.858 32.357 476 H VAL 55 H VAL 55 20.089 0.115 33.909 477 HA VAL 55 HA VAL 55 21.044 0.084 36.568 478 HB VAL 55 HB VAL 55 18.649 0.370 36.023 479 HG11 VAL 55 1HG1 VAL 55 18.569 -2.576 35.291 480 HG12 VAL 55 2HG1 VAL 55 18.417 -1.224 34.170 481 HG13 VAL 55 3HG1 VAL 55 17.181 -1.486 35.398 482 HG21 VAL 55 1HG2 VAL 55 19.229 -0.325 38.300 483 HG22 VAL 55 2HG2 VAL 55 19.130 -2.024 37.839 484 HG23 VAL 55 3HG2 VAL 55 17.677 -1.018 37.829 485 HA PRO 56 HA PRO 56 22.989 -4.080 36.693 486 HB2 PRO 56 2HB PRO 56 23.140 -4.276 39.461 487 HB3 PRO 56 3HB PRO 56 24.305 -3.368 38.480 488 HG2 PRO 56 2HG PRO 56 21.916 -2.339 39.978 489 HG3 PRO 56 3HG PRO 56 23.576 -1.694 39.931 490 HD2 PRO 56 2HD PRO 56 21.644 -0.591 38.437 491 HD3 PRO 56 3HD PRO 56 23.295 -0.763 37.794 492 H GLN 57 H GLN 57 22.429 -6.192 37.756 493 HA GLN 57 HA GLN 57 19.579 -6.711 37.724 494 HB2 GLN 57 2HB GLN 57 21.923 -8.592 38.259 495 HB3 GLN 57 3HB GLN 57 20.249 -9.109 38.159 496 HG2 GLN 57 2HG GLN 57 21.281 -9.668 36.091 497 HG3 GLN 57 3HG GLN 57 20.226 -8.295 35.772 498 HE21 GLN 57 1HE2 GLN 57 23.556 -9.345 36.088 499 HE22 GLN 57 2HE2 GLN 57 24.267 -7.993 35.283 500 HA PRO 58 HA PRO 58 19.247 -5.894 42.153 501 HB2 PRO 58 2HB PRO 58 16.698 -6.898 42.597 502 HB3 PRO 58 3HB PRO 58 17.028 -5.332 41.827 503 HG2 PRO 58 2HG PRO 58 16.327 -7.949 40.553 504 HG3 PRO 58 3HG PRO 58 15.786 -6.308 40.138 505 HD2 PRO 58 2HD PRO 58 17.742 -7.616 38.742 506 HD3 PRO 58 3HD PRO 58 17.692 -5.845 38.900 507 H GLU 59 H GLU 59 17.382 -8.971 41.993 508 HA GLU 59 HA GLU 59 19.246 -10.094 44.008 509 HB2 GLU 59 2HB GLU 59 16.369 -10.936 43.439 510 HB3 GLU 59 3HB GLU 59 17.380 -11.478 44.772 511 HG2 GLU 59 2HG GLU 59 16.314 -8.676 44.353 512 HG3 GLU 59 3HG GLU 59 15.749 -9.837 45.544 513 H ALA 60 H ALA 60 17.812 -10.638 40.866 514 HA ALA 60 HA ALA 60 18.544 -13.401 40.594 515 HB1 ALA 60 1HB ALA 60 17.668 -11.377 38.490 516 HB2 ALA 60 2HB ALA 60 16.619 -12.492 39.366 517 HB3 ALA 60 3HB ALA 60 17.819 -13.114 38.236 518 H LEU 61 H LEU 61 20.773 -13.299 41.180 519 HA LEU 61 HA LEU 61 22.642 -12.378 39.053 520 HB2 LEU 61 2HB LEU 61 23.052 -12.649 42.055 521 HB3 LEU 61 3HB LEU 61 24.366 -12.345 40.930 522 HG LEU 61 HG LEU 61 22.007 -10.470 41.396 523 HD11 LEU 61 1HD1 LEU 61 23.615 -8.999 42.538 524 HD12 LEU 61 2HD1 LEU 61 24.884 -10.213 42.356 525 HD13 LEU 61 3HD1 LEU 61 23.475 -10.549 43.366 526 HD21 LEU 61 1HD2 LEU 61 23.300 -8.863 40.042 527 HD22 LEU 61 2HD2 LEU 61 22.866 -10.300 39.121 528 HD23 LEU 61 3HD2 LEU 61 24.515 -10.106 39.725 529 H GLU 62 H GLU 62 21.265 -15.089 40.453 530 HA GLU 62 HA GLU 62 23.498 -16.866 39.651 531 HB2 GLU 62 2HB GLU 62 23.192 -16.828 42.129 532 HB3 GLU 62 3HB GLU 62 21.500 -17.269 41.927 533 HG2 GLU 62 2HG GLU 62 22.294 -19.425 40.835 534 HG3 GLU 62 3HG GLU 62 23.931 -18.986 41.320 535 H1 MET 1 1H MET 1 6.266 -7.559 13.556 536 H2 MET 1 2H MET 1 5.453 -7.721 15.025 537 H3 MET 1 3H MET 1 6.507 -8.938 14.506 538 HA MET 1 HA MET 1 7.485 -7.586 16.246 539 HB2 MET 1 2HB MET 1 8.919 -8.638 14.480 540 HB3 MET 1 3HB MET 1 8.815 -7.166 13.530 541 HG2 MET 1 2HG MET 1 10.044 -7.276 16.295 542 HG3 MET 1 3HG MET 1 10.967 -7.478 14.805 543 HE1 MET 1 1HE MET 1 12.016 -3.872 16.049 544 HE2 MET 1 2HE MET 1 12.623 -5.434 15.502 545 HE3 MET 1 3HE MET 1 11.730 -5.318 17.017 546 H GLU 2 H GLU 2 6.617 -5.719 13.331 547 HA GLU 2 HA GLU 2 7.342 -3.146 14.083 548 HB2 GLU 2 2HB GLU 2 6.592 -3.775 11.801 549 HB3 GLU 2 3HB GLU 2 4.949 -3.987 12.384 550 HG2 GLU 2 2HG GLU 2 4.918 -1.540 12.982 551 HG3 GLU 2 3HG GLU 2 6.501 -1.379 12.218 552 H GLU 3 H GLU 3 6.807 -2.150 15.915 553 HA GLU 3 HA GLU 3 4.080 -1.818 16.813 554 HB2 GLU 3 2HB GLU 3 4.551 -4.019 17.786 555 HB3 GLU 3 3HB GLU 3 6.075 -3.453 18.463 556 HG2 GLU 3 2HG GLU 3 4.350 -3.689 20.181 557 HG3 GLU 3 3HG GLU 3 4.864 -2.012 20.035 558 H LEU 4 H LEU 4 3.942 0.190 17.560 559 HA LEU 4 HA LEU 4 6.198 1.469 18.990 560 HB2 LEU 4 2HB LEU 4 4.326 2.871 17.015 561 HB3 LEU 4 3HB LEU 4 5.635 3.628 17.905 562 HG LEU 4 HG LEU 4 5.998 1.516 15.746 563 HD11 LEU 4 1HD1 LEU 4 6.424 4.517 15.534 564 HD12 LEU 4 2HD1 LEU 4 5.119 3.591 14.786 565 HD13 LEU 4 3HD1 LEU 4 6.786 3.319 14.286 566 HD21 LEU 4 1HD2 LEU 4 8.098 3.194 17.170 567 HD22 LEU 4 2HD2 LEU 4 8.394 2.087 15.827 568 HD23 LEU 4 3HD2 LEU 4 7.830 1.459 17.371 569 H SER 5 H SER 5 5.319 1.228 21.038 570 HA SER 5 HA SER 5 2.975 2.823 21.717 571 HB2 SER 5 2HB SER 5 1.972 0.889 23.066 572 HB3 SER 5 3HB SER 5 1.859 0.717 21.315 573 HG SER 5 HG SER 5 3.444 -0.785 21.348 574 H GLY 6 H GLY 6 3.661 4.054 23.338 575 HA2 GLY 6 2HA GLY 6 4.468 4.577 25.469 576 HA3 GLY 6 3HA GLY 6 5.284 3.023 25.557 577 H LYS 7 H LYS 7 6.568 3.236 22.978 578 HA LYS 7 HA LYS 7 8.696 5.209 23.589 579 HB2 LYS 7 2HB LYS 7 10.302 3.745 22.580 580 HB3 LYS 7 3HB LYS 7 9.382 2.776 23.709 581 HG2 LYS 7 2HG LYS 7 8.790 2.771 20.729 582 HG3 LYS 7 3HG LYS 7 9.996 1.709 21.447 583 HD2 LYS 7 2HD LYS 7 7.050 1.750 22.222 584 HD3 LYS 7 3HD LYS 7 7.776 0.602 21.100 585 HE2 LYS 7 2HE LYS 7 8.616 0.913 24.001 586 HE3 LYS 7 3HE LYS 7 7.486 -0.303 23.410 587 HZ1 LYS 7 1HZ LYS 7 9.704 -1.204 23.625 588 HZ2 LYS 7 2HZ LYS 7 10.322 -0.027 22.582 589 HZ3 LYS 7 3HZ LYS 7 9.239 -1.184 22.001 590 HA PRO 8 HA PRO 8 8.020 6.783 19.343 591 HB2 PRO 8 2HB PRO 8 10.312 8.163 18.963 592 HB3 PRO 8 3HB PRO 8 9.136 8.692 20.182 593 HG2 PRO 8 2HG PRO 8 11.669 7.129 20.584 594 HG3 PRO 8 3HG PRO 8 11.057 8.527 21.495 595 HD2 PRO 8 2HD PRO 8 10.742 5.928 22.333 596 HD3 PRO 8 3HD PRO 8 9.620 7.242 22.759 597 H LEU 9 H LEU 9 9.423 6.764 17.148 598 HA LEU 9 HA LEU 9 10.273 3.988 16.818 599 HB2 LEU 9 2HB LEU 9 10.290 4.550 14.335 600 HB3 LEU 9 3HB LEU 9 8.752 4.588 15.157 601 HG LEU 9 HG LEU 9 9.081 7.183 15.258 602 HD11 LEU 9 1HD1 LEU 9 10.369 8.183 13.440 603 HD12 LEU 9 2HD1 LEU 9 11.006 6.601 12.989 604 HD13 LEU 9 3HD1 LEU 9 11.422 7.308 14.551 605 HD21 LEU 9 1HD2 LEU 9 7.349 6.097 13.935 606 HD22 LEU 9 2HD2 LEU 9 8.491 5.808 12.621 607 HD23 LEU 9 3HD2 LEU 9 8.035 7.458 13.049 608 H SER 10 H SER 10 12.248 3.284 16.317 609 HA SER 10 HA SER 10 14.562 5.047 16.539 610 HB2 SER 10 2HB SER 10 14.395 2.022 16.137 611 HB3 SER 10 3HB SER 10 15.826 2.934 16.627 612 HG SER 10 HG SER 10 14.534 1.852 18.335 613 H TYR 11 H TYR 11 16.439 4.328 14.886 614 HA TYR 11 HA TYR 11 15.751 5.192 12.306 615 HB2 TYR 11 2HB TYR 11 18.062 5.395 13.040 616 HB3 TYR 11 3HB TYR 11 18.205 3.656 13.267 617 HD1 TYR 11 HD1 TYR 11 17.229 5.993 10.464 618 HD2 TYR 11 HD2 TYR 11 19.518 2.582 11.633 619 HE1 TYR 11 HE1 TYR 11 18.054 5.759 8.164 620 HE2 TYR 11 HE2 TYR 11 20.346 2.347 9.335 621 HH TYR 11 HH TYR 11 20.092 4.724 7.025 622 H ALA 12 H ALA 12 16.274 1.896 13.541 623 HA ALA 12 HA ALA 12 15.936 0.508 11.109 624 HB1 ALA 12 1HB ALA 12 17.031 -0.486 13.073 625 HB2 ALA 12 2HB ALA 12 15.722 -1.511 12.482 626 HB3 ALA 12 3HB ALA 12 15.489 -0.524 13.927 627 H GLU 13 H GLU 13 13.600 1.474 13.594 628 HA GLU 13 HA GLU 13 11.333 0.156 12.487 629 HB2 GLU 13 2HB GLU 13 11.386 2.635 14.261 630 HB3 GLU 13 3HB GLU 13 10.000 1.593 13.979 631 HG2 GLU 13 2HG GLU 13 12.499 0.975 15.558 632 HG3 GLU 13 3HG GLU 13 10.828 1.017 16.120 633 H LYS 14 H LYS 14 12.755 3.329 12.048 634 HA LYS 14 HA LYS 14 10.652 4.488 10.507 635 HB2 LYS 14 2HB LYS 14 12.221 5.786 11.915 636 HB3 LYS 14 3HB LYS 14 13.560 5.333 10.881 637 HG2 LYS 14 2HG LYS 14 11.251 6.756 9.609 638 HG3 LYS 14 3HG LYS 14 12.291 7.695 10.666 639 HD2 LYS 14 2HD LYS 14 13.200 6.140 8.215 640 HD3 LYS 14 3HD LYS 14 12.954 7.884 8.298 641 HE2 LYS 14 2HE LYS 14 14.720 8.053 10.020 642 HE3 LYS 14 3HE LYS 14 14.978 6.307 9.915 643 HZ1 LYS 14 1HZ LYS 14 15.355 8.237 7.680 644 HZ2 LYS 14 2HZ LYS 14 15.635 6.580 7.605 645 HZ3 LYS 14 3HZ LYS 14 16.604 7.548 8.587 646 H GLU 15 H GLU 15 13.595 2.656 9.716 647 HA GLU 15 HA GLU 15 13.513 3.350 6.898 648 HB2 GLU 15 2HB GLU 15 15.470 2.007 6.580 649 HB3 GLU 15 3HB GLU 15 15.686 2.887 8.088 650 HG2 GLU 15 2HG GLU 15 15.078 0.847 9.348 651 HG3 GLU 15 3HG GLU 15 14.893 -0.021 7.827 652 H LYS 16 H LYS 16 12.630 0.490 8.894 653 HA LYS 16 HA LYS 16 11.776 -1.134 6.724 654 HB2 LYS 16 2HB LYS 16 10.707 -2.572 8.319 655 HB3 LYS 16 3HB LYS 16 12.173 -1.977 9.087 656 HG2 LYS 16 2HG LYS 16 10.823 -0.320 10.355 657 HG3 LYS 16 3HG LYS 16 9.366 -0.945 9.590 658 HD2 LYS 16 2HD LYS 16 9.572 -1.836 11.848 659 HD3 LYS 16 3HD LYS 16 9.740 -3.143 10.675 660 HE2 LYS 16 2HE LYS 16 12.124 -3.223 11.010 661 HE3 LYS 16 3HE LYS 16 12.094 -1.743 11.975 662 HZ1 LYS 16 1HZ LYS 16 10.787 -4.299 12.751 663 HZ2 LYS 16 2HZ LYS 16 10.851 -2.880 13.677 664 HZ3 LYS 16 3HZ LYS 16 12.268 -3.736 13.341 665 H LEU 17 H LEU 17 10.270 1.440 8.556 666 HA LEU 17 HA LEU 17 7.610 1.104 7.614 667 HB2 LEU 17 2HB LEU 17 8.796 2.631 9.585 668 HB3 LEU 17 3HB LEU 17 8.480 3.868 8.387 669 HG LEU 17 HG LEU 17 6.630 3.779 9.973 670 HD11 LEU 17 1HD1 LEU 17 5.726 2.564 7.330 671 HD12 LEU 17 2HD1 LEU 17 6.045 4.279 7.625 672 HD13 LEU 17 3HD1 LEU 17 4.728 3.478 8.471 673 HD21 LEU 17 1HD2 LEU 17 6.943 1.450 10.755 674 HD22 LEU 17 2HD2 LEU 17 6.290 0.841 9.231 675 HD23 LEU 17 3HD2 LEU 17 5.262 1.767 10.327 676 H LYS 18 H LYS 18 10.249 3.321 6.549 677 HA LYS 18 HA LYS 18 8.691 4.641 4.579 678 HB2 LYS 18 2HB LYS 18 10.763 5.691 3.831 679 HB3 LYS 18 3HB LYS 18 10.698 5.662 5.582 680 HG2 LYS 18 2HG LYS 18 12.902 5.085 5.291 681 HG3 LYS 18 3HG LYS 18 12.194 3.473 5.267 682 HD2 LYS 18 2HD LYS 18 12.192 3.566 2.754 683 HD3 LYS 18 3HD LYS 18 12.979 5.140 2.846 684 HE2 LYS 18 2HE LYS 18 14.689 3.541 2.390 685 HE3 LYS 18 3HE LYS 18 14.885 3.994 4.083 686 HZ1 LYS 18 1HZ LYS 18 15.095 1.613 3.736 687 HZ2 LYS 18 2HZ LYS 18 13.538 1.531 3.103 688 HZ3 LYS 18 3HZ LYS 18 13.770 1.950 4.722 689 H GLU 19 H GLU 19 10.734 1.742 4.433 690 HA GLU 19 HA GLU 19 10.576 1.479 1.557 691 HB2 GLU 19 2HB GLU 19 11.741 -0.616 1.811 692 HB3 GLU 19 3HB GLU 19 12.485 0.569 2.874 693 HG2 GLU 19 2HG GLU 19 11.103 -0.456 4.764 694 HG3 GLU 19 3HG GLU 19 10.691 -1.739 3.633 695 H LYS 20 H LYS 20 8.743 0.259 4.335 696 HA LYS 20 HA LYS 20 6.939 -1.429 3.040 697 HB2 LYS 20 2HB LYS 20 6.517 -1.506 5.303 698 HB3 LYS 20 3HB LYS 20 6.839 0.202 5.540 699 HG2 LYS 20 2HG LYS 20 4.626 0.823 4.871 700 HG3 LYS 20 3HG LYS 20 4.276 -0.785 4.234 701 HD2 LYS 20 2HD LYS 20 4.745 -0.165 7.180 702 HD3 LYS 20 3HD LYS 20 3.156 -0.278 6.425 703 HE2 LYS 20 2HE LYS 20 3.759 -2.650 5.745 704 HE3 LYS 20 3HE LYS 20 5.194 -2.495 6.760 705 HZ1 LYS 20 1HZ LYS 20 3.725 -2.058 8.664 706 HZ2 LYS 20 2HZ LYS 20 3.423 -3.567 7.959 707 HZ3 LYS 20 3HZ LYS 20 2.372 -2.278 7.660 708 H LEU 21 H LEU 21 6.775 2.080 3.483 709 HA LEU 21 HA LEU 21 4.273 2.565 2.325 710 HB2 LEU 21 2HB LEU 21 6.655 4.459 2.468 711 HB3 LEU 21 3HB LEU 21 4.982 4.938 2.226 712 HG LEU 21 HG LEU 21 6.111 3.672 4.753 713 HD11 LEU 21 1HD1 LEU 21 6.895 5.963 4.477 714 HD12 LEU 21 2HD1 LEU 21 5.752 5.847 5.811 715 HD13 LEU 21 3HD1 LEU 21 5.234 6.530 4.269 716 HD21 LEU 21 1HD2 LEU 21 3.303 4.698 4.251 717 HD22 LEU 21 2HD2 LEU 21 3.939 4.115 5.790 718 HD23 LEU 21 3HD2 LEU 21 3.777 3.005 4.431 719 H ALA 22 H ALA 22 7.536 2.742 0.913 720 HA ALA 22 HA ALA 22 6.770 3.618 -1.694 721 HB1 ALA 22 1HB ALA 22 9.321 2.210 -0.811 722 HB2 ALA 22 2HB ALA 22 9.040 3.951 -0.792 723 HB3 ALA 22 3HB ALA 22 9.091 3.093 -2.329 724 H PHE 23 H PHE 23 7.346 0.393 -0.316 725 HA PHE 23 HA PHE 23 7.334 -1.093 -2.736 726 HB2 PHE 23 2HB PHE 23 8.301 -2.031 -0.705 727 HB3 PHE 23 3HB PHE 23 6.753 -1.963 0.124 728 HD1 PHE 23 HD1 PHE 23 8.472 -3.582 -2.790 729 HD2 PHE 23 HD2 PHE 23 5.324 -3.869 0.087 730 HE1 PHE 23 HE1 PHE 23 8.001 -5.882 -3.526 731 HE2 PHE 23 HE2 PHE 23 4.857 -6.163 -0.654 732 HZ PHE 23 HZ PHE 23 6.194 -7.176 -2.462 733 H LEU 24 H LEU 24 4.784 -0.674 -0.263 734 HA LEU 24 HA LEU 24 2.795 -2.032 -1.741 735 HB2 LEU 24 2HB LEU 24 1.181 -1.265 -0.081 736 HB3 LEU 24 3HB LEU 24 2.625 -1.892 0.668 737 HG LEU 24 HG LEU 24 3.319 0.604 0.997 738 HD11 LEU 24 1HD1 LEU 24 0.353 1.039 0.544 739 HD12 LEU 24 2HD1 LEU 24 1.670 1.675 -0.445 740 HD13 LEU 24 3HD1 LEU 24 1.486 2.212 1.218 741 HD21 LEU 24 1HD2 LEU 24 1.002 -0.546 2.595 742 HD22 LEU 24 2HD2 LEU 24 2.070 0.759 3.121 743 HD23 LEU 24 3HD2 LEU 24 2.718 -0.858 2.862 744 H LYS 25 H LYS 25 3.859 1.300 -1.708 745 HA LYS 25 HA LYS 25 1.706 2.513 -3.104 746 HB2 LYS 25 2HB LYS 25 3.338 3.853 -1.898 747 HB3 LYS 25 3HB LYS 25 4.655 3.263 -2.904 748 HG2 LYS 25 2HG LYS 25 3.769 4.477 -4.834 749 HG3 LYS 25 3HG LYS 25 2.369 5.010 -3.900 750 HD2 LYS 25 2HD LYS 25 5.273 5.738 -3.334 751 HD3 LYS 25 3HD LYS 25 4.072 6.797 -4.074 752 HE2 LYS 25 2HE LYS 25 2.737 6.738 -2.003 753 HE3 LYS 25 3HE LYS 25 3.924 5.665 -1.262 754 HZ1 LYS 25 1HZ LYS 25 4.180 7.993 -0.587 755 HZ2 LYS 25 2HZ LYS 25 4.487 8.430 -2.194 756 HZ3 LYS 25 3HZ LYS 25 5.560 7.413 -1.377 757 H LYS 26 H LYS 26 4.819 1.188 -4.333 758 HA LYS 26 HA LYS 26 4.359 1.985 -7.038 759 HB2 LYS 26 2HB LYS 26 6.329 0.655 -7.640 760 HB3 LYS 26 3HB LYS 26 6.653 1.613 -6.203 761 HG2 LYS 26 2HG LYS 26 6.337 -0.379 -4.787 762 HG3 LYS 26 3HG LYS 26 5.989 -1.350 -6.220 763 HD2 LYS 26 2HD LYS 26 8.295 -0.898 -7.062 764 HD3 LYS 26 3HD LYS 26 8.634 0.028 -5.592 765 HE2 LYS 26 2HE LYS 26 8.187 -2.022 -4.239 766 HE3 LYS 26 3HE LYS 26 7.957 -2.934 -5.734 767 HZ1 LYS 26 1HZ LYS 26 10.449 -1.550 -4.911 768 HZ2 LYS 26 2HZ LYS 26 10.236 -2.410 -6.349 769 HZ3 LYS 26 3HZ LYS 26 10.182 -3.220 -4.869 770 H GLU 27 H GLU 27 3.886 -1.100 -5.280 771 HA GLU 27 HA GLU 27 2.987 -2.569 -7.547 772 HB2 GLU 27 2HB GLU 27 2.216 -4.275 -6.031 773 HB3 GLU 27 3HB GLU 27 3.756 -3.669 -5.440 774 HG2 GLU 27 2HG GLU 27 2.622 -2.373 -3.720 775 HG3 GLU 27 3HG GLU 27 1.051 -2.877 -4.334 776 H TYR 28 H TYR 28 1.308 -0.637 -5.077 777 HA TYR 28 HA TYR 28 -1.371 -1.117 -5.686 778 HB2 TYR 28 2HB TYR 28 -0.760 0.115 -3.687 779 HB3 TYR 28 3HB TYR 28 0.032 1.374 -4.617 780 HD1 TYR 28 HD1 TYR 28 -3.302 -0.016 -3.661 781 HD2 TYR 28 HD2 TYR 28 -1.231 3.286 -5.416 782 HE1 TYR 28 HE1 TYR 28 -5.356 1.321 -3.580 783 HE2 TYR 28 HE2 TYR 28 -3.292 4.624 -5.324 784 HH TYR 28 HH TYR 28 -5.756 4.201 -5.257 785 H SER 29 H SER 29 0.815 1.360 -7.015 786 HA SER 29 HA SER 29 -1.096 2.696 -8.609 787 HB2 SER 29 2HB SER 29 1.932 2.573 -8.936 788 HB3 SER 29 3HB SER 29 0.863 3.785 -9.652 789 HG SER 29 HG SER 29 0.857 3.367 -6.864 790 H ARG 30 H ARG 30 1.302 0.158 -9.369 791 HA ARG 30 HA ARG 30 0.746 -0.049 -12.157 792 HB2 ARG 30 2HB ARG 30 2.843 -0.903 -11.156 793 HB3 ARG 30 3HB ARG 30 1.936 -2.105 -10.242 794 HG2 ARG 30 2HG ARG 30 1.179 -3.090 -12.449 795 HG3 ARG 30 3HG ARG 30 2.294 -1.985 -13.252 796 HD2 ARG 30 2HD ARG 30 3.024 -4.161 -11.271 797 HD3 ARG 30 3HD ARG 30 3.295 -4.189 -13.014 798 HE ARG 30 HE ARG 30 4.589 -1.937 -11.943 799 HH11 ARG 30 1HH1 ARG 30 4.898 -5.449 -11.902 800 HH12 ARG 30 2HH1 ARG 30 6.616 -5.412 -11.646 801 HH21 ARG 30 1HH2 ARG 30 6.836 -1.906 -11.581 802 HH22 ARG 30 2HH2 ARG 30 7.716 -3.399 -11.464 803 H THR 31 H THR 31 -0.411 -1.936 -9.366 804 HA THR 31 HA THR 31 -1.739 -3.894 -11.001 805 HB THR 31 HB THR 31 -0.565 -4.472 -8.824 806 HG1 THR 31 HG1 THR 31 -2.362 -5.962 -8.225 807 HG21 THR 31 1HG2 THR 31 -1.521 -2.678 -7.379 808 HG22 THR 31 2HG2 THR 31 -1.802 -4.290 -6.717 809 HG23 THR 31 3HG2 THR 31 -3.110 -3.426 -7.528 810 H LEU 32 H LEU 32 -2.748 -1.092 -9.096 811 HA LEU 32 HA LEU 32 -5.561 -1.440 -9.442 812 HB2 LEU 32 2HB LEU 32 -4.655 0.091 -7.745 813 HB3 LEU 32 3HB LEU 32 -3.935 1.108 -8.973 814 HG LEU 32 HG LEU 32 -6.954 0.769 -8.973 815 HD11 LEU 32 1HD1 LEU 32 -7.262 2.618 -7.401 816 HD12 LEU 32 2HD1 LEU 32 -5.523 2.693 -7.105 817 HD13 LEU 32 3HD1 LEU 32 -6.442 1.268 -6.617 818 HD21 LEU 32 1HD2 LEU 32 -5.927 2.036 -10.813 819 HD22 LEU 32 2HD2 LEU 32 -5.187 3.144 -9.659 820 HD23 LEU 32 3HD2 LEU 32 -6.943 3.076 -9.815 821 H ALA 33 H ALA 33 -3.017 0.246 -11.311 822 HA ALA 33 HA ALA 33 -4.563 1.487 -13.267 823 HB1 ALA 33 1HB ALA 33 -1.807 0.253 -13.616 824 HB2 ALA 33 2HB ALA 33 -2.144 1.870 -12.990 825 HB3 ALA 33 3HB ALA 33 -2.535 1.477 -14.663 826 H ARG 34 H ARG 34 -3.101 -1.778 -13.403 827 HA ARG 34 HA ARG 34 -4.148 -2.493 -15.960 828 HB2 ARG 34 2HB ARG 34 -3.214 -4.692 -15.540 829 HB3 ARG 34 3HB ARG 34 -2.087 -3.481 -14.945 830 HG2 ARG 34 2HG ARG 34 -3.097 -3.887 -12.623 831 HG3 ARG 34 3HG ARG 34 -3.887 -5.294 -13.326 832 HD2 ARG 34 2HD ARG 34 -0.899 -4.805 -13.155 833 HD3 ARG 34 3HD ARG 34 -1.836 -5.944 -12.180 834 HE ARG 34 HE ARG 34 -2.089 -6.426 -14.996 835 HH11 ARG 34 1HH1 ARG 34 -0.024 -7.053 -12.199 836 HH12 ARG 34 2HH1 ARG 34 0.680 -8.470 -12.904 837 HH21 ARG 34 1HH2 ARG 34 -1.132 -8.254 -15.893 838 HH22 ARG 34 2HH2 ARG 34 0.054 -9.154 -14.998 839 H LEU 35 H LEU 35 -5.262 -2.995 -12.623 840 HA LEU 35 HA LEU 35 -7.410 -4.766 -12.979 841 HB2 LEU 35 2HB LEU 35 -6.363 -3.638 -10.794 842 HB3 LEU 35 3HB LEU 35 -7.612 -2.443 -11.027 843 HG LEU 35 HG LEU 35 -7.950 -5.389 -10.332 844 HD11 LEU 35 1HD1 LEU 35 -8.802 -2.876 -8.863 845 HD12 LEU 35 2HD1 LEU 35 -7.438 -3.922 -8.455 846 HD13 LEU 35 3HD1 LEU 35 -9.081 -4.539 -8.334 847 HD21 LEU 35 1HD2 LEU 35 -9.712 -4.926 -11.934 848 HD22 LEU 35 2HD2 LEU 35 -10.177 -3.475 -11.052 849 HD23 LEU 35 3HD2 LEU 35 -10.396 -5.057 -10.314 850 H GLN 36 H GLN 36 -7.253 -1.215 -13.146 851 HA GLN 36 HA GLN 36 -9.961 -0.739 -13.735 852 HB2 GLN 36 2HB GLN 36 -7.529 0.990 -14.352 853 HB3 GLN 36 3HB GLN 36 -9.197 1.528 -14.523 854 HG2 GLN 36 2HG GLN 36 -7.799 0.738 -11.955 855 HG3 GLN 36 3HG GLN 36 -8.278 2.361 -12.436 856 HE21 GLN 36 1HE2 GLN 36 -8.964 0.775 -10.049 857 HE22 GLN 36 2HE2 GLN 36 -10.691 0.710 -9.994 858 H ARG 37 H ARG 37 -7.119 -1.045 -15.918 859 HA ARG 37 HA ARG 37 -8.433 -0.405 -18.327 860 HB2 ARG 37 2HB ARG 37 -6.005 -2.213 -17.939 861 HB3 ARG 37 3HB ARG 37 -6.512 -1.515 -19.475 862 HG2 ARG 37 2HG ARG 37 -5.530 -0.013 -17.040 863 HG3 ARG 37 3HG ARG 37 -4.677 -0.222 -18.565 864 HD2 ARG 37 2HD ARG 37 -7.292 1.302 -18.237 865 HD3 ARG 37 3HD ARG 37 -5.684 2.035 -18.311 866 HE ARG 37 HE ARG 37 -6.399 0.330 -20.553 867 HH11 ARG 37 1HH1 ARG 37 -6.242 3.641 -19.368 868 HH12 ARG 37 2HH1 ARG 37 -6.294 4.332 -20.955 869 HH21 ARG 37 1HH2 ARG 37 -6.460 1.254 -22.622 870 HH22 ARG 37 2HH2 ARG 37 -6.417 2.980 -22.795 871 H ALA 38 H ALA 38 -8.187 -3.471 -16.629 872 HA ALA 38 HA ALA 38 -9.382 -5.121 -18.637 873 HB1 ALA 38 1HB ALA 38 -9.591 -6.788 -16.838 874 HB2 ALA 38 2HB ALA 38 -9.223 -5.551 -15.632 875 HB3 ALA 38 3HB ALA 38 -7.999 -6.031 -16.810 876 H LYS 39 H LYS 39 -10.723 -3.566 -15.689 877 HA LYS 39 HA LYS 39 -13.386 -4.602 -16.117 878 HB2 LYS 39 2HB LYS 39 -13.973 -3.558 -14.020 879 HB3 LYS 39 3HB LYS 39 -12.385 -4.292 -13.844 880 HG2 LYS 39 2HG LYS 39 -11.376 -2.003 -14.227 881 HG3 LYS 39 3HG LYS 39 -13.003 -1.333 -14.156 882 HD2 LYS 39 2HD LYS 39 -11.599 -2.844 -11.921 883 HD3 LYS 39 3HD LYS 39 -11.799 -1.100 -12.003 884 HE2 LYS 39 2HE LYS 39 -14.064 -3.106 -11.799 885 HE3 LYS 39 3HE LYS 39 -13.403 -2.168 -10.461 886 HZ1 LYS 39 1HZ LYS 39 -14.652 -0.999 -12.882 887 HZ2 LYS 39 2HZ LYS 39 -14.107 -0.152 -11.528 888 HZ3 LYS 39 3HZ LYS 39 -15.424 -1.201 -11.397 889 H ARG 40 H ARG 40 -11.788 -1.712 -17.105 890 HA ARG 40 HA ARG 40 -14.192 -0.098 -17.431 891 HB2 ARG 40 2HB ARG 40 -11.352 0.404 -18.449 892 HB3 ARG 40 3HB ARG 40 -12.691 1.532 -18.634 893 HG2 ARG 40 2HG ARG 40 -11.413 0.655 -16.033 894 HG3 ARG 40 3HG ARG 40 -11.265 2.230 -16.800 895 HD2 ARG 40 2HD ARG 40 -13.648 2.666 -16.407 896 HD3 ARG 40 3HD ARG 40 -13.841 1.053 -15.708 897 HE ARG 40 HE ARG 40 -11.819 2.530 -14.352 898 HH11 ARG 40 1HH1 ARG 40 -15.334 2.207 -14.568 899 HH12 ARG 40 2HH1 ARG 40 -15.603 2.808 -12.964 900 HH21 ARG 40 1HH2 ARG 40 -12.189 3.317 -12.276 901 HH22 ARG 40 2HH2 ARG 40 -13.807 3.440 -11.660 902 H ALA 41 H ALA 41 -11.860 -1.732 -19.556 903 HA ALA 41 HA ALA 41 -13.219 -1.298 -22.009 904 HB1 ALA 41 1HB ALA 41 -11.704 -3.025 -22.904 905 HB2 ALA 41 2HB ALA 41 -11.223 -3.472 -21.265 906 HB3 ALA 41 3HB ALA 41 -10.834 -1.871 -21.894 907 H GLU 42 H GLU 42 -13.288 -3.935 -19.643 908 HA GLU 42 HA GLU 42 -14.527 -5.776 -19.294 909 HB2 GLU 42 2HB GLU 42 -16.664 -4.173 -20.756 910 HB3 GLU 42 3HB GLU 42 -16.985 -5.667 -19.883 911 HG2 GLU 42 2HG GLU 42 -16.101 -4.548 -17.796 912 HG3 GLU 42 3HG GLU 42 -16.002 -3.049 -18.711 913 H LYS 43 H LYS 43 -13.027 -5.490 -21.941 914 HA LYS 43 HA LYS 43 -14.133 -7.405 -23.744 915 HB2 LYS 43 2HB LYS 43 -12.047 -7.371 -24.881 916 HB3 LYS 43 3HB LYS 43 -12.206 -5.752 -24.231 917 HG2 LYS 43 2HG LYS 43 -10.482 -7.951 -23.060 918 HG3 LYS 43 3HG LYS 43 -9.901 -6.637 -24.073 919 HD2 LYS 43 2HD LYS 43 -10.562 -5.010 -22.336 920 HD3 LYS 43 3HD LYS 43 -11.170 -6.326 -21.329 921 HE2 LYS 43 2HE LYS 43 -8.966 -5.660 -20.540 922 HE3 LYS 43 3HE LYS 43 -8.861 -7.276 -21.240 923 HZ1 LYS 43 1HZ LYS 43 -7.878 -6.367 -23.209 924 HZ2 LYS 43 2HZ LYS 43 -7.029 -5.762 -21.877 925 HZ3 LYS 43 3HZ LYS 43 -8.142 -4.783 -22.686 926 H ALA 44 H ALA 44 -12.506 -7.576 -20.730 927 HA ALA 44 HA ALA 44 -11.221 -10.052 -20.759 928 HB1 ALA 44 1HB ALA 44 -11.184 -9.817 -18.318 929 HB2 ALA 44 2HB ALA 44 -12.399 -8.536 -18.409 930 HB3 ALA 44 3HB ALA 44 -10.794 -8.287 -19.104 931 H LYS 45 H LYS 45 -14.573 -9.233 -20.209 932 HA LYS 45 HA LYS 45 -15.606 -11.519 -18.981 933 HB2 LYS 45 2HB LYS 45 -16.906 -9.448 -19.284 934 HB3 LYS 45 3HB LYS 45 -16.849 -9.635 -21.030 935 HG2 LYS 45 2HG LYS 45 -18.249 -11.673 -20.854 936 HG3 LYS 45 3HG LYS 45 -18.329 -11.460 -19.106 937 HD2 LYS 45 2HD LYS 45 -19.408 -9.543 -21.205 938 HD3 LYS 45 3HD LYS 45 -20.374 -10.612 -20.190 939 HE2 LYS 45 2HE LYS 45 -19.688 -9.369 -18.199 940 HE3 LYS 45 3HE LYS 45 -18.642 -8.333 -19.171 941 HZ1 LYS 45 1HZ LYS 45 -20.683 -7.189 -18.753 942 HZ2 LYS 45 2HZ LYS 45 -21.604 -8.498 -19.286 943 HZ3 LYS 45 3HZ LYS 45 -20.676 -7.621 -20.388 944 H ASN 46 H ASN 46 -15.009 -10.814 -22.411 945 HA ASN 46 HA ASN 46 -15.113 -11.951 -24.367 946 HB2 ASN 46 2HB ASN 46 -14.488 -14.334 -22.554 947 HB3 ASN 46 3HB ASN 46 -14.569 -14.470 -24.301 948 HD21 ASN 46 1HD2 ASN 46 -13.118 -11.788 -22.479 949 HD22 ASN 46 2HD2 ASN 46 -11.509 -12.079 -23.010 950 H SER 47 H SER 47 -17.416 -11.181 -23.967 951 HA SER 47 HA SER 47 -19.482 -13.037 -23.308 952 HB2 SER 47 2HB SER 47 -19.706 -10.559 -23.033 953 HB3 SER 47 3HB SER 47 -19.695 -10.366 -24.787 954 HG SER 47 HG SER 47 -21.805 -10.556 -23.482 955 H LYS 48 H LYS 48 -18.830 -14.786 -24.638 956 HA LYS 48 HA LYS 48 -19.737 -14.855 -27.428 957 HB2 LYS 48 2HB LYS 48 -16.899 -15.594 -26.520 958 HB3 LYS 48 3HB LYS 48 -17.545 -15.960 -28.106 959 HG2 LYS 48 2HG LYS 48 -17.325 -13.097 -27.166 960 HG3 LYS 48 3HG LYS 48 -15.918 -13.952 -27.780 961 HD2 LYS 48 2HD LYS 48 -16.782 -12.707 -29.618 962 HD3 LYS 48 3HD LYS 48 -17.219 -14.385 -29.916 963 HE2 LYS 48 2HE LYS 48 -19.512 -13.920 -29.148 964 HE3 LYS 48 3HE LYS 48 -19.075 -12.243 -28.829 965 HZ1 LYS 48 1HZ LYS 48 -20.220 -12.583 -30.978 966 HZ2 LYS 48 2HZ LYS 48 -18.926 -13.529 -31.506 967 HZ3 LYS 48 3HZ LYS 48 -18.689 -11.895 -31.161 968 H LYS 49 H LYS 49 -18.982 -17.415 -28.078 969 HA LYS 49 HA LYS 49 -20.392 -19.184 -26.345 970 HB2 LYS 49 2HB LYS 49 -20.070 -19.670 -28.779 971 HB3 LYS 49 3HB LYS 49 -18.340 -19.858 -28.512 972 HG2 LYS 49 2HG LYS 49 -18.753 -21.810 -27.062 973 HG3 LYS 49 3HG LYS 49 -20.494 -21.620 -27.285 974 HD2 LYS 49 2HD LYS 49 -20.203 -22.050 -29.725 975 HD3 LYS 49 3HD LYS 49 -18.473 -22.276 -29.463 976 HE2 LYS 49 2HE LYS 49 -18.939 -24.219 -28.013 977 HE3 LYS 49 3HE LYS 49 -20.674 -23.979 -28.245 978 HZ1 LYS 49 1HZ LYS 49 -19.792 -25.708 -29.695 979 HZ2 LYS 49 2HZ LYS 49 -18.727 -24.603 -30.402 980 HZ3 LYS 49 3HZ LYS 49 -20.393 -24.410 -30.601 981 H ALA 50 H ALA 50 -19.647 -20.516 -24.724 982 HA ALA 50 HA ALA 50 -17.397 -19.818 -23.206 983 HB1 ALA 50 1HB ALA 50 -17.897 -21.819 -21.841 984 HB2 ALA 50 2HB ALA 50 -18.979 -22.418 -23.100 985 HB3 ALA 50 3HB ALA 50 -19.379 -20.939 -22.226 986 H ILE 51 H ILE 51 -15.346 -20.023 -23.874 987 HA ILE 51 HA ILE 51 -14.371 -21.911 -25.755 988 HB ILE 51 HB ILE 51 -12.037 -21.181 -24.991 989 HG12 ILE 51 2HG1 ILE 51 -12.049 -18.956 -23.612 990 HG13 ILE 51 3HG1 ILE 51 -13.644 -19.440 -23.061 991 HG21 ILE 51 1HG2 ILE 51 -14.005 -18.995 -25.785 992 HG22 ILE 51 2HG2 ILE 51 -13.207 -20.133 -26.875 993 HG23 ILE 51 3HG2 ILE 51 -12.253 -18.937 -26.002 994 HD11 ILE 51 1HD1 ILE 51 -11.084 -20.982 -22.606 995 HD12 ILE 51 2HD1 ILE 51 -12.681 -21.409 -21.984 996 HD13 ILE 51 3HD1 ILE 51 -11.887 -19.934 -21.436 997 H GLU 52 H GLU 52 -14.837 -22.064 -22.334 998 HA GLU 52 HA GLU 52 -13.439 -24.484 -21.805 999 HB2 GLU 52 2HB GLU 52 -15.812 -23.171 -20.392 1000 HB3 GLU 52 3HB GLU 52 -14.954 -24.578 -19.769 1001 HG2 GLU 52 2HG GLU 52 -12.873 -23.240 -19.639 1002 HG3 GLU 52 3HG GLU 52 -13.741 -21.845 -20.259 1003 H ASP 53 H ASP 53 -13.866 -25.947 -23.416 1004 HA ASP 53 HA ASP 53 -16.572 -26.634 -24.260 1005 HB2 ASP 53 2HB ASP 53 -14.743 -26.516 -25.909 1006 HB3 ASP 53 3HB ASP 53 -13.826 -27.724 -25.024 1007 H GLY 54 H GLY 54 -17.447 -28.785 -24.058 1008 HA2 GLY 54 2HA GLY 54 -16.889 -30.151 -21.550 1009 HA3 GLY 54 3HA GLY 54 -18.171 -30.511 -22.699 1010 H VAL 55 H VAL 55 -14.613 -30.503 -22.749 1011 HA VAL 55 HA VAL 55 -14.498 -32.765 -24.569 1012 HB VAL 55 HB VAL 55 -13.022 -30.869 -24.990 1013 HG11 VAL 55 1HG1 VAL 55 -11.717 -31.350 -22.287 1014 HG12 VAL 55 2HG1 VAL 55 -12.750 -29.987 -22.720 1015 HG13 VAL 55 3HG1 VAL 55 -11.186 -30.184 -23.508 1016 HG21 VAL 55 1HG2 VAL 55 -12.173 -33.071 -25.668 1017 HG22 VAL 55 2HG2 VAL 55 -11.373 -33.266 -24.108 1018 HG23 VAL 55 3HG2 VAL 55 -10.843 -32.000 -25.218 1019 HA PRO 56 HA PRO 56 -13.713 -35.626 -21.066 1020 HB2 PRO 56 2HB PRO 56 -13.523 -37.945 -22.478 1021 HB3 PRO 56 3HB PRO 56 -15.086 -37.135 -22.239 1022 HG2 PRO 56 2HG PRO 56 -13.281 -37.070 -24.632 1023 HG3 PRO 56 3HG PRO 56 -15.046 -37.278 -24.561 1024 HD2 PRO 56 2HD PRO 56 -13.851 -34.870 -25.119 1025 HD3 PRO 56 3HD PRO 56 -15.439 -35.004 -24.331 1026 H GLN 57 H GLN 57 -11.983 -37.356 -20.648 1027 HA GLN 57 HA GLN 57 -9.374 -36.307 -20.992 1028 HB2 GLN 57 2HB GLN 57 -10.311 -39.052 -20.032 1029 HB3 GLN 57 3HB GLN 57 -8.619 -38.573 -20.051 1030 HG2 GLN 57 2HG GLN 57 -9.383 -38.272 -17.821 1031 HG3 GLN 57 3HG GLN 57 -9.222 -36.665 -18.513 1032 HE21 GLN 57 1HE2 GLN 57 -11.472 -39.094 -17.392 1033 HE22 GLN 57 2HE2 GLN 57 -12.843 -38.049 -17.275 1034 HA PRO 58 HA PRO 58 -8.624 -37.440 -25.238 1035 HB2 PRO 58 2HB PRO 58 -5.812 -37.851 -25.117 1036 HB3 PRO 58 3HB PRO 58 -6.639 -36.314 -25.395 1037 HG2 PRO 58 2HG PRO 58 -5.495 -37.390 -22.869 1038 HG3 PRO 58 3HG PRO 58 -5.556 -35.717 -23.462 1039 HD2 PRO 58 2HD PRO 58 -7.215 -36.566 -21.522 1040 HD3 PRO 58 3HD PRO 58 -7.754 -35.395 -22.743 1041 H GLU 59 H GLU 59 -6.772 -39.553 -22.991 1042 HA GLU 59 HA GLU 59 -7.365 -41.886 -24.744 1043 HB2 GLU 59 2HB GLU 59 -4.751 -41.297 -23.278 1044 HB3 GLU 59 3HB GLU 59 -5.100 -42.759 -24.197 1045 HG2 GLU 59 2HG GLU 59 -5.294 -41.460 -26.266 1046 HG3 GLU 59 3HG GLU 59 -5.025 -39.964 -25.377 1047 H ALA 60 H ALA 60 -6.372 -40.950 -21.427 1048 HA ALA 60 HA ALA 60 -6.829 -41.743 -19.364 1049 HB1 ALA 60 1HB ALA 60 -9.190 -41.345 -20.003 1050 HB2 ALA 60 2HB ALA 60 -9.043 -42.717 -18.906 1051 HB3 ALA 60 3HB ALA 60 -9.303 -42.994 -20.630 1052 H LEU 61 H LEU 61 -5.047 -43.196 -20.993 1053 HA LEU 61 HA LEU 61 -5.282 -45.987 -20.983 1054 HB2 LEU 61 2HB LEU 61 -3.598 -44.713 -22.308 1055 HB3 LEU 61 3HB LEU 61 -2.769 -44.264 -20.832 1056 HG LEU 61 HG LEU 61 -2.313 -46.754 -20.449 1057 HD11 LEU 61 1HD1 LEU 61 -3.247 -47.020 -23.313 1058 HD12 LEU 61 2HD1 LEU 61 -4.016 -47.713 -21.882 1059 HD13 LEU 61 3HD1 LEU 61 -2.417 -48.263 -22.373 1060 HD21 LEU 61 1HD2 LEU 61 -0.396 -46.838 -21.994 1061 HD22 LEU 61 2HD2 LEU 61 -0.549 -45.260 -21.227 1062 HD23 LEU 61 3HD2 LEU 61 -1.062 -45.477 -22.902 1063 H GLU 62 H GLU 62 -4.389 -47.594 -19.634 1064 HA GLU 62 HA GLU 62 -4.550 -47.282 -16.840 1065 HB2 GLU 62 2HB GLU 62 -4.962 -49.428 -18.070 1066 HB3 GLU 62 3HB GLU 62 -3.245 -49.538 -18.438 1067 HG2 GLU 62 2HG GLU 62 -3.816 -51.036 -16.608 1068 HG3 GLU 62 3HG GLU 62 -2.750 -49.759 -16.030 Start of MODEL 9 1 H1 MET 1 1H MET 1 2.360 -15.851 -9.934 2 H2 MET 1 2H MET 1 1.481 -16.830 -10.994 3 H3 MET 1 3H MET 1 0.994 -15.237 -10.713 4 HA MET 1 HA MET 1 2.886 -14.354 -11.774 5 HB2 MET 1 2HB MET 1 3.766 -17.265 -11.957 6 HB3 MET 1 3HB MET 1 4.526 -15.985 -12.896 7 HG2 MET 1 2HG MET 1 5.150 -14.841 -10.789 8 HG3 MET 1 3HG MET 1 4.452 -16.180 -9.874 9 HE1 MET 1 1HE MET 1 7.011 -16.055 -8.718 10 HE2 MET 1 2HE MET 1 7.592 -14.922 -9.939 11 HE3 MET 1 3HE MET 1 8.465 -16.426 -9.643 12 H GLU 2 H GLU 2 0.157 -15.246 -12.322 13 HA GLU 2 HA GLU 2 0.092 -16.129 -15.121 14 HB2 GLU 2 2HB GLU 2 -2.169 -15.594 -13.099 15 HB3 GLU 2 3HB GLU 2 -2.394 -16.247 -14.715 16 HG2 GLU 2 2HG GLU 2 -2.576 -18.072 -13.160 17 HG3 GLU 2 3HG GLU 2 -1.061 -18.263 -14.031 18 H GLU 3 H GLU 3 1.332 -13.836 -15.153 19 HA GLU 3 HA GLU 3 -0.162 -11.427 -14.818 20 HB2 GLU 3 2HB GLU 3 2.488 -11.702 -16.303 21 HB3 GLU 3 3HB GLU 3 1.856 -10.279 -15.490 22 HG2 GLU 3 2HG GLU 3 2.843 -12.814 -14.167 23 HG3 GLU 3 3HG GLU 3 3.692 -11.273 -14.220 24 H LEU 4 H LEU 4 1.479 -12.655 -17.752 25 HA LEU 4 HA LEU 4 -0.556 -11.410 -19.480 26 HB2 LEU 4 2HB LEU 4 2.253 -12.416 -20.111 27 HB3 LEU 4 3HB LEU 4 1.110 -11.902 -21.338 28 HG LEU 4 HG LEU 4 1.094 -9.598 -20.201 29 HD11 LEU 4 1HD1 LEU 4 3.033 -8.973 -18.818 30 HD12 LEU 4 2HD1 LEU 4 3.536 -10.664 -18.762 31 HD13 LEU 4 3HD1 LEU 4 2.010 -10.175 -18.030 32 HD21 LEU 4 1HD2 LEU 4 2.263 -10.006 -22.314 33 HD22 LEU 4 2HD2 LEU 4 3.709 -10.515 -21.437 34 HD23 LEU 4 3HD2 LEU 4 3.140 -8.848 -21.316 35 H SER 5 H SER 5 -1.950 -13.206 -18.600 36 HA SER 5 HA SER 5 -1.654 -15.823 -19.855 37 HB2 SER 5 2HB SER 5 -4.028 -14.659 -18.316 38 HB3 SER 5 3HB SER 5 -3.768 -16.355 -18.733 39 HG SER 5 HG SER 5 -2.750 -14.896 -16.666 40 H GLY 6 H GLY 6 -3.324 -12.795 -20.377 41 HA2 GLY 6 2HA GLY 6 -4.053 -12.010 -22.485 42 HA3 GLY 6 3HA GLY 6 -4.271 -13.667 -23.036 43 H LYS 7 H LYS 7 -5.517 -13.468 -19.982 44 HA LYS 7 HA LYS 7 -8.299 -13.031 -20.901 45 HB2 LYS 7 2HB LYS 7 -7.211 -14.526 -18.447 46 HB3 LYS 7 3HB LYS 7 -8.917 -14.292 -18.800 47 HG2 LYS 7 2HG LYS 7 -8.512 -16.492 -19.481 48 HG3 LYS 7 3HG LYS 7 -8.463 -15.589 -20.996 49 HD2 LYS 7 2HD LYS 7 -5.970 -15.590 -20.885 50 HD3 LYS 7 3HD LYS 7 -6.051 -16.511 -19.381 51 HE2 LYS 7 2HE LYS 7 -7.051 -17.456 -22.089 52 HE3 LYS 7 3HE LYS 7 -5.561 -17.967 -21.298 53 HZ1 LYS 7 1HZ LYS 7 -6.960 -18.825 -19.455 54 HZ2 LYS 7 2HZ LYS 7 -7.219 -19.613 -20.930 55 HZ3 LYS 7 3HZ LYS 7 -8.331 -18.472 -20.372 56 HA PRO 8 HA PRO 8 -8.453 -9.676 -17.698 57 HB2 PRO 8 2HB PRO 8 -11.062 -9.733 -16.894 58 HB3 PRO 8 3HB PRO 8 -10.606 -9.124 -18.498 59 HG2 PRO 8 2HG PRO 8 -11.693 -11.821 -17.760 60 HG3 PRO 8 3HG PRO 8 -12.146 -10.760 -19.115 61 HD2 PRO 8 2HD PRO 8 -10.433 -12.874 -19.411 62 HD3 PRO 8 3HD PRO 8 -10.339 -11.410 -20.405 63 H LEU 9 H LEU 9 -8.564 -9.556 -15.315 64 HA LEU 9 HA LEU 9 -7.992 -11.990 -13.971 65 HB2 LEU 9 2HB LEU 9 -8.354 -10.476 -11.830 66 HB3 LEU 9 3HB LEU 9 -6.952 -10.287 -12.853 67 HG LEU 9 HG LEU 9 -7.972 -8.278 -13.912 68 HD11 LEU 9 1HD1 LEU 9 -10.340 -8.737 -13.645 69 HD12 LEU 9 2HD1 LEU 9 -9.924 -7.178 -12.936 70 HD13 LEU 9 3HD1 LEU 9 -10.200 -8.579 -11.895 71 HD21 LEU 9 1HD2 LEU 9 -7.669 -6.776 -11.989 72 HD22 LEU 9 2HD2 LEU 9 -6.429 -8.022 -12.047 73 HD23 LEU 9 3HD2 LEU 9 -7.758 -8.156 -10.890 74 H SER 10 H SER 10 -9.222 -13.235 -12.591 75 HA SER 10 HA SER 10 -11.981 -13.515 -13.250 76 HB2 SER 10 2HB SER 10 -10.381 -14.889 -11.056 77 HB3 SER 10 3HB SER 10 -11.882 -15.469 -11.783 78 HG SER 10 HG SER 10 -10.306 -16.544 -12.842 79 H TYR 11 H TYR 11 -13.626 -13.892 -11.345 80 HA TYR 11 HA TYR 11 -14.103 -11.444 -10.031 81 HB2 TYR 11 2HB TYR 11 -15.965 -12.971 -10.537 82 HB3 TYR 11 3HB TYR 11 -15.296 -14.205 -9.474 83 HD1 TYR 11 HD1 TYR 11 -16.409 -10.589 -9.287 84 HD2 TYR 11 HD2 TYR 11 -16.289 -14.390 -7.333 85 HE1 TYR 11 HE1 TYR 11 -17.655 -9.659 -7.379 86 HE2 TYR 11 HE2 TYR 11 -17.532 -13.455 -5.435 87 HH TYR 11 HH TYR 11 -18.968 -10.365 -5.476 88 H ALA 12 H ALA 12 -12.792 -14.523 -8.835 89 HA ALA 12 HA ALA 12 -12.377 -13.836 -6.143 90 HB1 ALA 12 1HB ALA 12 -10.832 -15.758 -6.081 91 HB2 ALA 12 2HB ALA 12 -10.821 -15.815 -7.847 92 HB3 ALA 12 3HB ALA 12 -12.309 -16.155 -6.959 93 H GLU 13 H GLU 13 -10.317 -13.443 -8.998 94 HA GLU 13 HA GLU 13 -7.982 -12.545 -7.648 95 HB2 GLU 13 2HB GLU 13 -8.811 -12.096 -10.546 96 HB3 GLU 13 3HB GLU 13 -7.188 -11.893 -9.900 97 HG2 GLU 13 2HG GLU 13 -8.732 -14.480 -10.158 98 HG3 GLU 13 3HG GLU 13 -7.310 -13.995 -11.081 99 H LYS 14 H LYS 14 -10.753 -10.916 -9.065 100 HA LYS 14 HA LYS 14 -9.701 -8.258 -8.998 101 HB2 LYS 14 2HB LYS 14 -11.438 -9.083 -10.603 102 HB3 LYS 14 3HB LYS 14 -12.587 -9.222 -9.289 103 HG2 LYS 14 2HG LYS 14 -11.337 -6.524 -9.767 104 HG3 LYS 14 3HG LYS 14 -12.516 -7.095 -10.939 105 HD2 LYS 14 2HD LYS 14 -13.001 -6.741 -7.956 106 HD3 LYS 14 3HD LYS 14 -13.572 -5.669 -9.237 107 HE2 LYS 14 2HE LYS 14 -14.893 -7.582 -10.186 108 HE3 LYS 14 3HE LYS 14 -14.402 -8.560 -8.801 109 HZ1 LYS 14 1HZ LYS 14 -15.973 -6.039 -8.673 110 HZ2 LYS 14 2HZ LYS 14 -15.499 -6.962 -7.342 111 HZ3 LYS 14 3HZ LYS 14 -16.590 -7.599 -8.460 112 H GLU 15 H GLU 15 -11.737 -10.219 -6.829 113 HA GLU 15 HA GLU 15 -12.423 -8.036 -5.082 114 HB2 GLU 15 2HB GLU 15 -13.446 -9.670 -3.610 115 HB3 GLU 15 3HB GLU 15 -13.898 -10.018 -5.273 116 HG2 GLU 15 2HG GLU 15 -12.276 -11.858 -5.343 117 HG3 GLU 15 3HG GLU 15 -11.767 -11.490 -3.699 118 H LYS 16 H LYS 16 -9.988 -10.694 -4.913 119 HA LYS 16 HA LYS 16 -8.933 -9.917 -2.386 120 HB2 LYS 16 2HB LYS 16 -7.078 -11.404 -2.795 121 HB3 LYS 16 3HB LYS 16 -8.537 -12.174 -3.395 122 HG2 LYS 16 2HG LYS 16 -7.910 -11.498 -5.718 123 HG3 LYS 16 3HG LYS 16 -6.420 -10.801 -5.082 124 HD2 LYS 16 2HD LYS 16 -6.009 -13.021 -6.060 125 HD3 LYS 16 3HD LYS 16 -5.681 -13.037 -4.326 126 HE2 LYS 16 2HE LYS 16 -7.783 -14.172 -3.895 127 HE3 LYS 16 3HE LYS 16 -8.264 -14.004 -5.586 128 HZ1 LYS 16 1HZ LYS 16 -6.548 -15.492 -6.250 129 HZ2 LYS 16 2HZ LYS 16 -7.398 -16.231 -4.988 130 HZ3 LYS 16 3HZ LYS 16 -5.880 -15.541 -4.697 131 H LEU 17 H LEU 17 -8.394 -8.806 -5.651 132 HA LEU 17 HA LEU 17 -5.996 -7.339 -5.143 133 HB2 LEU 17 2HB LEU 17 -7.179 -8.193 -7.416 134 HB3 LEU 17 3HB LEU 17 -7.808 -6.562 -7.418 135 HG LEU 17 HG LEU 17 -5.778 -6.760 -8.808 136 HD11 LEU 17 1HD1 LEU 17 -6.206 -4.592 -7.730 137 HD12 LEU 17 2HD1 LEU 17 -4.487 -4.887 -7.955 138 HD13 LEU 17 3HD1 LEU 17 -5.211 -5.070 -6.351 139 HD21 LEU 17 1HD2 LEU 17 -4.311 -7.541 -6.255 140 HD22 LEU 17 2HD2 LEU 17 -3.584 -7.282 -7.846 141 HD23 LEU 17 3HD2 LEU 17 -4.697 -8.624 -7.600 142 H LYS 18 H LYS 18 -9.480 -6.343 -5.344 143 HA LYS 18 HA LYS 18 -8.887 -3.568 -4.995 144 HB2 LYS 18 2HB LYS 18 -11.336 -3.225 -4.711 145 HB3 LYS 18 3HB LYS 18 -10.930 -4.148 -6.144 146 HG2 LYS 18 2HG LYS 18 -12.798 -5.278 -5.373 147 HG3 LYS 18 3HG LYS 18 -11.492 -6.236 -4.678 148 HD2 LYS 18 2HD LYS 18 -11.824 -4.912 -2.519 149 HD3 LYS 18 3HD LYS 18 -13.257 -4.202 -3.260 150 HE2 LYS 18 2HE LYS 18 -14.260 -6.447 -3.490 151 HE3 LYS 18 3HE LYS 18 -12.817 -7.167 -2.771 152 HZ1 LYS 18 1HZ LYS 18 -14.548 -6.950 -1.134 153 HZ2 LYS 18 2HZ LYS 18 -14.700 -5.296 -1.433 154 HZ3 LYS 18 3HZ LYS 18 -13.285 -5.898 -0.732 155 H GLU 19 H GLU 19 -9.612 -6.186 -2.729 156 HA GLU 19 HA GLU 19 -9.750 -4.438 -0.421 157 HB2 GLU 19 2HB GLU 19 -9.906 -6.414 0.935 158 HB3 GLU 19 3HB GLU 19 -10.921 -6.638 -0.482 159 HG2 GLU 19 2HG GLU 19 -9.098 -8.018 -1.503 160 HG3 GLU 19 3HG GLU 19 -8.202 -7.870 0.005 161 H LYS 20 H LYS 20 -7.207 -6.260 -2.095 162 HA LYS 20 HA LYS 20 -5.064 -5.832 -0.336 163 HB2 LYS 20 2HB LYS 20 -4.275 -7.130 -2.063 164 HB3 LYS 20 3HB LYS 20 -5.338 -6.392 -3.246 165 HG2 LYS 20 2HG LYS 20 -3.772 -4.519 -3.535 166 HG3 LYS 20 3HG LYS 20 -2.728 -5.158 -2.264 167 HD2 LYS 20 2HD LYS 20 -3.343 -6.572 -4.889 168 HD3 LYS 20 3HD LYS 20 -1.888 -5.632 -4.566 169 HE2 LYS 20 2HE LYS 20 -2.727 -8.165 -3.121 170 HE3 LYS 20 3HE LYS 20 -1.434 -8.018 -4.311 171 HZ1 LYS 20 1HZ LYS 20 -0.548 -7.996 -2.079 172 HZ2 LYS 20 2HZ LYS 20 -1.514 -6.673 -1.667 173 HZ3 LYS 20 3HZ LYS 20 -0.289 -6.500 -2.812 174 H LEU 21 H LEU 21 -6.394 -3.748 -2.864 175 HA LEU 21 HA LEU 21 -4.621 -1.581 -2.681 176 HB2 LEU 21 2HB LEU 21 -7.560 -1.564 -3.497 177 HB3 LEU 21 3HB LEU 21 -6.401 -0.296 -3.862 178 HG LEU 21 HG LEU 21 -6.227 -3.141 -4.919 179 HD11 LEU 21 1HD1 LEU 21 -6.909 -2.227 -7.095 180 HD12 LEU 21 2HD1 LEU 21 -7.192 -0.655 -6.347 181 HD13 LEU 21 3HD1 LEU 21 -8.167 -2.044 -5.874 182 HD21 LEU 21 1HD2 LEU 21 -4.592 -0.699 -5.644 183 HD22 LEU 21 2HD2 LEU 21 -4.504 -2.277 -6.431 184 HD23 LEU 21 3HD2 LEU 21 -4.033 -2.113 -4.741 185 H ALA 22 H ALA 22 -7.754 -2.201 -1.101 186 HA ALA 22 HA ALA 22 -7.953 0.232 0.361 187 HB1 ALA 22 1HB ALA 22 -9.266 -2.461 0.920 188 HB2 ALA 22 2HB ALA 22 -9.906 -1.196 -0.128 189 HB3 ALA 22 3HB ALA 22 -9.758 -0.902 1.603 190 H PHE 23 H PHE 23 -6.528 -2.910 1.119 191 HA PHE 23 HA PHE 23 -6.193 -2.539 3.923 192 HB2 PHE 23 2HB PHE 23 -6.257 -4.792 2.992 193 HB3 PHE 23 3HB PHE 23 -4.862 -4.469 1.969 194 HD1 PHE 23 HD1 PHE 23 -5.863 -4.611 5.593 195 HD2 PHE 23 HD2 PHE 23 -2.726 -5.144 2.727 196 HE1 PHE 23 HE1 PHE 23 -4.395 -5.505 7.353 197 HE2 PHE 23 HE2 PHE 23 -1.272 -6.029 4.493 198 HZ PHE 23 HZ PHE 23 -2.105 -6.216 6.807 199 H LEU 24 H LEU 24 -3.888 -2.368 1.196 200 HA LEU 24 HA LEU 24 -1.702 -1.511 2.790 201 HB2 LEU 24 2HB LEU 24 -0.463 -1.218 0.723 202 HB3 LEU 24 3HB LEU 24 -1.335 -2.730 0.718 203 HG LEU 24 HG LEU 24 -3.087 -1.492 -0.777 204 HD11 LEU 24 1HD1 LEU 24 -2.308 0.795 -0.489 205 HD12 LEU 24 2HD1 LEU 24 -2.200 0.319 -2.176 206 HD13 LEU 24 3HD1 LEU 24 -0.740 0.385 -1.185 207 HD21 LEU 24 1HD2 LEU 24 -1.848 -2.036 -2.831 208 HD22 LEU 24 2HD2 LEU 24 -1.667 -3.295 -1.615 209 HD23 LEU 24 3HD2 LEU 24 -0.346 -2.161 -1.906 210 H LYS 25 H LYS 25 -4.257 0.187 1.100 211 HA LYS 25 HA LYS 25 -3.183 2.816 1.130 212 HB2 LYS 25 2HB LYS 25 -5.036 2.344 -0.317 213 HB3 LYS 25 3HB LYS 25 -6.031 1.751 1.006 214 HG2 LYS 25 2HG LYS 25 -6.337 3.997 1.869 215 HG3 LYS 25 3HG LYS 25 -5.169 4.658 0.720 216 HD2 LYS 25 2HD LYS 25 -7.803 3.335 -0.044 217 HD3 LYS 25 3HD LYS 25 -7.547 5.078 0.055 218 HE2 LYS 25 2HE LYS 25 -5.824 4.917 -1.716 219 HE3 LYS 25 3HE LYS 25 -6.099 3.177 -1.821 220 HZ1 LYS 25 1HZ LYS 25 -8.126 5.272 -2.394 221 HZ2 LYS 25 2HZ LYS 25 -8.360 3.606 -2.537 222 HZ3 LYS 25 3HZ LYS 25 -7.268 4.397 -3.557 223 H LYS 26 H LYS 26 -5.407 1.159 3.419 224 HA LYS 26 HA LYS 26 -5.730 3.437 5.108 225 HB2 LYS 26 2HB LYS 26 -6.884 1.962 6.671 226 HB3 LYS 26 3HB LYS 26 -7.419 1.623 5.030 227 HG2 LYS 26 2HG LYS 26 -5.983 -0.379 4.962 228 HG3 LYS 26 3HG LYS 26 -5.418 -0.039 6.599 229 HD2 LYS 26 2HD LYS 26 -7.741 -0.339 7.449 230 HD3 LYS 26 3HD LYS 26 -8.286 -0.702 5.807 231 HE2 LYS 26 2HE LYS 26 -6.735 -2.663 5.764 232 HE3 LYS 26 3HE LYS 26 -6.293 -2.318 7.440 233 HZ1 LYS 26 1HZ LYS 26 -9.021 -2.975 6.471 234 HZ2 LYS 26 2HZ LYS 26 -8.595 -2.653 8.077 235 HZ3 LYS 26 3HZ LYS 26 -7.987 -4.022 7.305 236 H GLU 27 H GLU 27 -3.599 0.551 5.252 237 HA GLU 27 HA GLU 27 -2.460 1.152 7.786 238 HB2 GLU 27 2HB GLU 27 -0.786 -0.512 7.360 239 HB3 GLU 27 3HB GLU 27 -2.302 -1.120 6.713 240 HG2 GLU 27 2HG GLU 27 -1.601 -0.686 4.457 241 HG3 GLU 27 3HG GLU 27 -0.173 0.184 4.998 242 H TYR 28 H TYR 28 -1.543 1.971 4.450 243 HA TYR 28 HA TYR 28 0.898 3.250 4.791 244 HB2 TYR 28 2HB TYR 28 0.054 2.841 2.568 245 HB3 TYR 28 3HB TYR 28 -1.398 3.783 2.854 246 HD1 TYR 28 HD1 TYR 28 2.261 4.005 2.158 247 HD2 TYR 28 HD2 TYR 28 -1.396 6.195 2.480 248 HE1 TYR 28 HE1 TYR 28 3.334 5.955 1.117 249 HE2 TYR 28 HE2 TYR 28 -0.319 8.144 1.441 250 HH TYR 28 HH TYR 28 1.910 9.060 1.126 251 H SER 29 H SER 29 -2.358 4.655 4.931 252 HA SER 29 HA SER 29 -1.620 7.334 5.329 253 HB2 SER 29 2HB SER 29 -3.884 6.511 4.567 254 HB3 SER 29 3HB SER 29 -4.212 5.970 6.213 255 HG SER 29 HG SER 29 -3.408 8.504 6.324 256 H ARG 30 H ARG 30 -2.528 4.789 7.653 257 HA ARG 30 HA ARG 30 -2.364 6.359 10.020 258 HB2 ARG 30 2HB ARG 30 -2.168 3.345 9.596 259 HB3 ARG 30 3HB ARG 30 -2.357 4.109 11.172 260 HG2 ARG 30 2HG ARG 30 -4.550 4.941 10.579 261 HG3 ARG 30 3HG ARG 30 -4.354 4.402 8.911 262 HD2 ARG 30 2HD ARG 30 -4.339 2.056 9.661 263 HD3 ARG 30 3HD ARG 30 -4.497 2.583 11.339 264 HE ARG 30 HE ARG 30 -6.550 3.218 9.307 265 HH11 ARG 30 1HH1 ARG 30 -5.719 1.849 12.445 266 HH12 ARG 30 2HH1 ARG 30 -7.374 1.599 12.904 267 HH21 ARG 30 1HH2 ARG 30 -8.710 2.888 9.928 268 HH22 ARG 30 2HH2 ARG 30 -9.066 2.192 11.473 269 H THR 31 H THR 31 -0.050 4.142 8.466 270 HA THR 31 HA THR 31 1.797 4.245 10.672 271 HB THR 31 HB THR 31 1.340 2.142 9.322 272 HG1 THR 31 HG1 THR 31 3.944 3.106 9.863 273 HG21 THR 31 1HG2 THR 31 2.651 1.721 7.295 274 HG22 THR 31 2HG2 THR 31 3.273 3.372 7.327 275 HG23 THR 31 3HG2 THR 31 1.563 3.086 7.030 276 H LEU 32 H LEU 32 1.607 5.718 7.465 277 HA LEU 32 HA LEU 32 4.169 6.973 7.501 278 HB2 LEU 32 2HB LEU 32 2.862 6.766 5.427 279 HB3 LEU 32 3HB LEU 32 1.603 7.802 6.062 280 HG LEU 32 HG LEU 32 4.379 8.985 5.832 281 HD11 LEU 32 1HD1 LEU 32 2.606 8.648 3.397 282 HD12 LEU 32 2HD1 LEU 32 4.137 7.820 3.680 283 HD13 LEU 32 3HD1 LEU 32 4.113 9.568 3.477 284 HD21 LEU 32 1HD2 LEU 32 2.568 10.363 6.767 285 HD22 LEU 32 2HD2 LEU 32 1.636 10.163 5.284 286 HD23 LEU 32 3HD2 LEU 32 3.164 11.046 5.254 287 H ALA 33 H ALA 33 0.890 7.974 8.529 288 HA ALA 33 HA ALA 33 1.422 10.582 9.348 289 HB1 ALA 33 1HB ALA 33 -0.602 10.398 10.716 290 HB2 ALA 33 2HB ALA 33 -0.564 8.636 10.564 291 HB3 ALA 33 3HB ALA 33 -0.842 9.644 9.139 292 H ARG 34 H ARG 34 1.638 7.568 11.276 293 HA ARG 34 HA ARG 34 2.389 8.862 13.721 294 HB2 ARG 34 2HB ARG 34 2.597 6.667 14.676 295 HB3 ARG 34 3HB ARG 34 1.200 6.662 13.612 296 HG2 ARG 34 2HG ARG 34 2.755 5.608 11.849 297 HG3 ARG 34 3HG ARG 34 3.883 5.343 13.176 298 HD2 ARG 34 2HD ARG 34 1.050 4.277 12.996 299 HD3 ARG 34 3HD ARG 34 2.536 3.350 12.751 300 HE ARG 34 HE ARG 34 2.220 4.657 15.341 301 HH11 ARG 34 1HH1 ARG 34 1.934 1.646 13.514 302 HH12 ARG 34 2HH1 ARG 34 1.921 0.661 14.942 303 HH21 ARG 34 1HH2 ARG 34 2.166 3.331 17.166 304 HH22 ARG 34 2HH2 ARG 34 2.052 1.609 16.983 305 H LEU 35 H LEU 35 4.201 7.335 11.067 306 HA LEU 35 HA LEU 35 6.823 7.522 12.055 307 HB2 LEU 35 2HB LEU 35 5.980 6.490 9.842 308 HB3 LEU 35 3HB LEU 35 6.020 8.099 9.164 309 HG LEU 35 HG LEU 35 8.496 6.666 10.246 310 HD11 LEU 35 1HD1 LEU 35 7.574 6.838 7.360 311 HD12 LEU 35 2HD1 LEU 35 7.620 5.390 8.367 312 HD13 LEU 35 3HD1 LEU 35 9.120 6.190 7.923 313 HD21 LEU 35 1HD2 LEU 35 9.794 8.286 8.942 314 HD22 LEU 35 2HD2 LEU 35 8.793 9.091 10.145 315 HD23 LEU 35 3HD2 LEU 35 8.304 9.101 8.451 316 H GLN 36 H GLN 36 4.706 9.968 10.560 317 HA GLN 36 HA GLN 36 6.605 12.098 10.540 318 HB2 GLN 36 2HB GLN 36 3.562 12.308 10.492 319 HB3 GLN 36 3HB GLN 36 4.687 13.592 10.072 320 HG2 GLN 36 2HG GLN 36 4.198 11.019 8.561 321 HG3 GLN 36 3HG GLN 36 3.773 12.643 8.048 322 HE21 GLN 36 1HE2 GLN 36 5.420 10.560 6.736 323 HE22 GLN 36 2HE2 GLN 36 6.945 11.311 6.420 324 H ARG 37 H ARG 37 4.186 10.987 12.929 325 HA ARG 37 HA ARG 37 4.283 13.300 14.614 326 HB2 ARG 37 2HB ARG 37 3.592 10.454 15.489 327 HB3 ARG 37 3HB ARG 37 3.179 11.938 16.340 328 HG2 ARG 37 2HG ARG 37 2.082 10.964 13.703 329 HG3 ARG 37 3HG ARG 37 1.212 11.132 15.220 330 HD2 ARG 37 2HD ARG 37 1.282 13.549 15.073 331 HD3 ARG 37 3HD ARG 37 2.398 13.484 13.703 332 HE ARG 37 HE ARG 37 -0.204 12.215 13.343 333 HH11 ARG 37 1HH1 ARG 37 1.802 15.073 12.744 334 HH12 ARG 37 2HH1 ARG 37 0.799 15.635 11.450 335 HH21 ARG 37 1HH2 ARG 37 -1.475 12.978 11.633 336 HH22 ARG 37 2HH2 ARG 37 -1.055 14.451 10.823 337 H ALA 38 H ALA 38 6.145 10.337 14.487 338 HA ALA 38 HA ALA 38 7.678 10.722 16.858 339 HB1 ALA 38 1HB ALA 38 7.397 8.516 15.790 340 HB2 ALA 38 2HB ALA 38 9.104 8.924 15.953 341 HB3 ALA 38 3HB ALA 38 8.304 9.065 14.384 342 H LYS 39 H LYS 39 8.422 11.322 13.394 343 HA LYS 39 HA LYS 39 11.092 12.223 13.990 344 HB2 LYS 39 2HB LYS 39 11.439 12.366 11.628 345 HB3 LYS 39 3HB LYS 39 10.484 10.923 11.927 346 HG2 LYS 39 2HG LYS 39 8.445 12.127 11.192 347 HG3 LYS 39 3HG LYS 39 9.409 13.567 10.871 348 HD2 LYS 39 2HD LYS 39 9.646 10.883 9.462 349 HD3 LYS 39 3HD LYS 39 8.949 12.352 8.792 350 HE2 LYS 39 2HE LYS 39 11.858 12.007 9.587 351 HE3 LYS 39 3HE LYS 39 11.234 11.909 7.945 352 HZ1 LYS 39 1HZ LYS 39 12.214 14.078 8.513 353 HZ2 LYS 39 2HZ LYS 39 11.004 14.317 9.658 354 HZ3 LYS 39 3HZ LYS 39 10.605 14.190 8.019 355 H ARG 40 H ARG 40 8.044 13.881 13.257 356 HA ARG 40 HA ARG 40 9.318 16.437 12.686 357 HB2 ARG 40 2HB ARG 40 6.369 15.677 12.925 358 HB3 ARG 40 3HB ARG 40 6.922 17.311 12.572 359 HG2 ARG 40 2HG ARG 40 7.398 14.860 10.850 360 HG3 ARG 40 3HG ARG 40 6.251 16.163 10.531 361 HD2 ARG 40 2HD ARG 40 9.272 16.389 10.598 362 HD3 ARG 40 3HD ARG 40 8.238 16.470 9.170 363 HE ARG 40 HE ARG 40 7.248 18.525 10.260 364 HH11 ARG 40 1HH1 ARG 40 10.602 17.622 10.817 365 HH12 ARG 40 2HH1 ARG 40 11.114 19.242 11.162 366 HH21 ARG 40 1HH2 ARG 40 7.940 20.665 10.750 367 HH22 ARG 40 2HH2 ARG 40 9.612 20.952 11.120 368 H ALA 41 H ALA 41 7.359 15.108 15.369 369 HA ALA 41 HA ALA 41 7.167 17.547 16.832 370 HB1 ALA 41 1HB ALA 41 6.800 14.701 17.830 371 HB2 ALA 41 2HB ALA 41 5.548 15.722 17.119 372 HB3 ALA 41 3HB ALA 41 6.284 16.175 18.655 373 H GLU 42 H GLU 42 9.319 14.699 17.096 374 HA GLU 42 HA GLU 42 11.439 14.405 17.835 375 HB2 GLU 42 2HB GLU 42 11.649 17.453 17.773 376 HB3 GLU 42 3HB GLU 42 12.999 16.325 17.804 377 HG2 GLU 42 2HG GLU 42 12.357 15.457 15.601 378 HG3 GLU 42 3HG GLU 42 10.973 16.544 15.565 379 H LYS 43 H LYS 43 9.185 15.269 19.813 380 HA LYS 43 HA LYS 43 10.340 16.518 22.051 381 HB2 LYS 43 2HB LYS 43 8.348 15.991 23.245 382 HB3 LYS 43 3HB LYS 43 7.861 16.279 21.587 383 HG2 LYS 43 2HG LYS 43 8.214 13.524 22.790 384 HG3 LYS 43 3HG LYS 43 6.681 14.386 22.726 385 HD2 LYS 43 2HD LYS 43 6.883 14.418 20.205 386 HD3 LYS 43 3HD LYS 43 8.326 13.409 20.363 387 HE2 LYS 43 2HE LYS 43 6.286 12.083 19.845 388 HE3 LYS 43 3HE LYS 43 7.002 11.621 21.391 389 HZ1 LYS 43 1HZ LYS 43 4.672 13.445 21.060 390 HZ2 LYS 43 2HZ LYS 43 5.327 12.931 22.531 391 HZ3 LYS 43 3HZ LYS 43 4.585 11.819 21.505 392 H ALA 44 H ALA 44 10.456 13.250 20.957 393 HA ALA 44 HA ALA 44 11.893 12.367 23.394 394 HB1 ALA 44 1HB ALA 44 9.657 11.336 23.255 395 HB2 ALA 44 2HB ALA 44 10.920 10.133 22.996 396 HB3 ALA 44 3HB ALA 44 10.011 10.760 21.620 397 H LYS 45 H LYS 45 12.998 13.632 20.982 398 HA LYS 45 HA LYS 45 14.303 11.695 19.323 399 HB2 LYS 45 2HB LYS 45 14.154 14.035 18.568 400 HB3 LYS 45 3HB LYS 45 15.052 14.586 19.977 401 HG2 LYS 45 2HG LYS 45 17.053 13.281 19.126 402 HG3 LYS 45 3HG LYS 45 16.136 12.937 17.661 403 HD2 LYS 45 2HD LYS 45 16.874 15.715 18.650 404 HD3 LYS 45 3HD LYS 45 17.730 14.833 17.389 405 HE2 LYS 45 2HE LYS 45 15.719 14.868 15.984 406 HE3 LYS 45 3HE LYS 45 14.830 15.708 17.258 407 HZ1 LYS 45 1HZ LYS 45 15.626 17.218 15.543 408 HZ2 LYS 45 2HZ LYS 45 17.220 16.763 15.840 409 HZ3 LYS 45 3HZ LYS 45 16.338 17.580 17.032 410 H ASN 46 H ASN 46 15.177 13.411 22.274 411 HA ASN 46 HA ASN 46 16.898 13.441 23.705 412 HB2 ASN 46 2HB ASN 46 17.446 10.597 22.711 413 HB3 ASN 46 3HB ASN 46 18.345 11.366 24.009 414 HD21 ASN 46 1HD2 ASN 46 14.817 11.515 23.428 415 HD22 ASN 46 2HD2 ASN 46 14.380 10.722 24.893 416 H SER 47 H SER 47 17.392 15.099 22.054 417 HA SER 47 HA SER 47 19.452 14.745 20.133 418 HB2 SER 47 2HB SER 47 17.751 16.602 20.087 419 HB3 SER 47 3HB SER 47 18.560 17.354 21.457 420 HG SER 47 HG SER 47 20.435 17.524 20.150 421 H LYS 48 H LYS 48 21.198 13.791 21.001 422 HA LYS 48 HA LYS 48 22.468 14.672 23.460 423 HB2 LYS 48 2HB LYS 48 22.246 12.249 22.737 424 HB3 LYS 48 3HB LYS 48 23.367 12.573 21.424 425 HG2 LYS 48 2HG LYS 48 24.499 11.444 23.261 426 HG3 LYS 48 3HG LYS 48 25.143 13.074 23.058 427 HD2 LYS 48 2HD LYS 48 24.879 12.513 25.432 428 HD3 LYS 48 3HD LYS 48 23.812 13.844 24.985 429 HE2 LYS 48 2HE LYS 48 21.932 12.167 24.788 430 HE3 LYS 48 3HE LYS 48 23.033 10.937 25.416 431 HZ1 LYS 48 1HZ LYS 48 22.299 13.440 26.856 432 HZ2 LYS 48 2HZ LYS 48 23.258 12.179 27.449 433 HZ3 LYS 48 3HZ LYS 48 21.616 11.918 27.145 434 H LYS 49 H LYS 49 24.685 15.404 23.556 435 HA LYS 49 HA LYS 49 25.529 17.326 21.672 436 HB2 LYS 49 2HB LYS 49 26.226 17.353 24.058 437 HB3 LYS 49 3HB LYS 49 27.130 15.865 23.827 438 HG2 LYS 49 2HG LYS 49 28.637 17.054 22.236 439 HG3 LYS 49 3HG LYS 49 27.763 18.553 22.557 440 HD2 LYS 49 2HD LYS 49 28.457 18.472 24.924 441 HD3 LYS 49 3HD LYS 49 29.259 16.923 24.656 442 HE2 LYS 49 2HE LYS 49 30.798 18.053 23.036 443 HE3 LYS 49 3HE LYS 49 30.036 19.593 23.435 444 HZ1 LYS 49 1HZ LYS 49 32.095 19.227 24.666 445 HZ2 LYS 49 2HZ LYS 49 31.454 17.839 25.378 446 HZ3 LYS 49 3HZ LYS 49 30.777 19.349 25.714 447 H ALA 50 H ALA 50 27.302 17.256 20.167 448 HA ALA 50 HA ALA 50 27.294 15.129 18.391 449 HB1 ALA 50 1HB ALA 50 29.450 17.249 18.668 450 HB2 ALA 50 2HB ALA 50 27.948 17.411 17.757 451 HB3 ALA 50 3HB ALA 50 29.165 16.243 17.245 452 H ILE 51 H ILE 51 28.618 13.431 17.914 453 HA ILE 51 HA ILE 51 29.802 12.091 20.137 454 HB ILE 51 HB ILE 51 30.340 10.251 18.445 455 HG12 ILE 51 2HG1 ILE 51 28.945 10.537 16.219 456 HG13 ILE 51 3HG1 ILE 51 29.104 12.261 16.512 457 HG21 ILE 51 1HG2 ILE 51 27.973 9.586 18.189 458 HG22 ILE 51 2HG2 ILE 51 27.458 11.224 18.596 459 HG23 ILE 51 3HG2 ILE 51 28.294 10.236 19.798 460 HD11 ILE 51 1HD1 ILE 51 30.737 11.420 14.905 461 HD12 ILE 51 2HD1 ILE 51 31.387 10.320 16.118 462 HD13 ILE 51 3HD1 ILE 51 31.539 12.066 16.337 463 H GLU 52 H GLU 52 31.148 14.266 17.963 464 HA GLU 52 HA GLU 52 33.915 13.384 18.134 465 HB2 GLU 52 2HB GLU 52 34.407 15.467 16.886 466 HB3 GLU 52 3HB GLU 52 33.127 14.547 16.102 467 HG2 GLU 52 2HG GLU 52 31.439 16.067 17.151 468 HG3 GLU 52 3HG GLU 52 32.762 17.008 17.838 469 H ASP 53 H ASP 53 35.585 14.642 19.176 470 HA ASP 53 HA ASP 53 34.989 16.053 21.614 471 HB2 ASP 53 2HB ASP 53 37.598 15.884 20.020 472 HB3 ASP 53 3HB ASP 53 37.456 16.586 21.630 473 H GLY 54 H GLY 54 35.688 16.906 18.339 474 HA2 GLY 54 2HA GLY 54 34.654 19.194 17.741 475 HA3 GLY 54 3HA GLY 54 35.853 19.803 18.880 476 H VAL 55 H VAL 55 35.528 17.804 15.956 477 HA VAL 55 HA VAL 55 38.180 18.734 15.009 478 HB VAL 55 HB VAL 55 38.152 16.290 15.389 479 HG11 VAL 55 1HG1 VAL 55 35.769 15.819 15.117 480 HG12 VAL 55 2HG1 VAL 55 36.738 14.750 14.100 481 HG13 VAL 55 3HG1 VAL 55 35.885 16.119 13.381 482 HG21 VAL 55 1HG2 VAL 55 38.944 15.537 13.171 483 HG22 VAL 55 2HG2 VAL 55 39.565 17.136 13.581 484 HG23 VAL 55 3HG2 VAL 55 38.238 16.978 12.430 485 HA PRO 56 HA PRO 56 35.652 20.684 11.712 486 HB2 PRO 56 2HB PRO 56 37.724 21.510 10.092 487 HB3 PRO 56 3HB PRO 56 37.315 22.350 11.603 488 HG2 PRO 56 2HG PRO 56 39.451 20.287 11.130 489 HG3 PRO 56 3HG PRO 56 39.571 21.852 11.973 490 HD2 PRO 56 2HD PRO 56 39.278 19.546 13.347 491 HD3 PRO 56 3HD PRO 56 38.503 21.047 13.900 492 H GLN 57 H GLN 57 35.028 20.052 9.613 493 HA GLN 57 HA GLN 57 35.588 17.405 8.734 494 HB2 GLN 57 2HB GLN 57 34.120 17.835 6.875 495 HB3 GLN 57 3HB GLN 57 33.435 18.656 8.264 496 HG2 GLN 57 2HG GLN 57 35.007 20.001 6.053 497 HG3 GLN 57 3HG GLN 57 33.252 19.941 6.148 498 HE21 GLN 57 1HE2 GLN 57 35.063 22.233 6.066 499 HE22 GLN 57 2HE2 GLN 57 34.699 23.179 7.466 500 HA PRO 58 HA PRO 58 39.487 17.907 6.560 501 HB2 PRO 58 2HB PRO 58 38.966 16.306 4.256 502 HB3 PRO 58 3HB PRO 58 39.646 15.754 5.793 503 HG2 PRO 58 2HG PRO 58 36.833 15.592 4.832 504 HG3 PRO 58 3HG PRO 58 37.751 14.449 5.837 505 HD2 PRO 58 2HD PRO 58 35.894 16.056 6.928 506 HD3 PRO 58 3HD PRO 58 37.393 15.676 7.803 507 H GLU 59 H GLU 59 36.955 17.782 3.993 508 HA GLU 59 HA GLU 59 37.407 20.642 3.436 509 HB2 GLU 59 2HB GLU 59 37.244 18.466 1.291 510 HB3 GLU 59 3HB GLU 59 37.150 20.193 0.965 511 HG2 GLU 59 2HG GLU 59 39.451 20.472 1.889 512 HG3 GLU 59 3HG GLU 59 39.526 18.733 2.148 513 H ALA 60 H ALA 60 35.325 18.098 1.958 514 HA ALA 60 HA ALA 60 33.091 17.920 1.626 515 HB1 ALA 60 1HB ALA 60 31.626 18.207 3.571 516 HB2 ALA 60 2HB ALA 60 32.884 19.115 4.414 517 HB3 ALA 60 3HB ALA 60 33.128 17.410 4.034 518 H LEU 61 H LEU 61 34.360 20.358 0.705 519 HA LEU 61 HA LEU 61 32.073 22.257 0.631 520 HB2 LEU 61 2HB LEU 61 35.043 22.939 0.826 521 HB3 LEU 61 3HB LEU 61 33.770 24.114 0.530 522 HG LEU 61 HG LEU 61 33.985 22.423 3.046 523 HD11 LEU 61 1HD1 LEU 61 34.728 24.444 4.212 524 HD12 LEU 61 2HD1 LEU 61 34.769 25.327 2.684 525 HD13 LEU 61 3HD1 LEU 61 35.861 23.967 2.949 526 HD21 LEU 61 1HD2 LEU 61 32.303 23.961 3.996 527 HD22 LEU 61 2HD2 LEU 61 31.684 23.051 2.622 528 HD23 LEU 61 3HD2 LEU 61 32.138 24.745 2.419 529 H GLU 62 H GLU 62 34.711 20.689 -1.021 530 HA GLU 62 HA GLU 62 35.247 20.278 -3.138 531 HB2 GLU 62 2HB GLU 62 32.930 19.498 -3.353 532 HB3 GLU 62 3HB GLU 62 32.392 21.130 -3.737 533 HG2 GLU 62 2HG GLU 62 32.484 19.715 -5.746 534 HG3 GLU 62 3HG GLU 62 33.615 21.058 -5.864 535 H1 MET 1 1H MET 1 -0.173 -4.319 17.571 536 H2 MET 1 2H MET 1 -0.608 -5.811 18.226 537 H3 MET 1 3H MET 1 0.957 -5.582 17.624 538 HA MET 1 HA MET 1 -0.213 -4.161 19.950 539 HB2 MET 1 2HB MET 1 1.857 -6.405 19.847 540 HB3 MET 1 3HB MET 1 1.395 -5.528 21.306 541 HG2 MET 1 2HG MET 1 0.276 -7.668 21.282 542 HG3 MET 1 3HG MET 1 -0.925 -6.396 21.045 543 HE1 MET 1 1HE MET 1 -2.466 -9.225 18.824 544 HE2 MET 1 2HE MET 1 -2.745 -8.081 20.138 545 HE3 MET 1 3HE MET 1 -1.653 -9.450 20.370 546 H GLU 2 H GLU 2 1.413 -3.434 17.392 547 HA GLU 2 HA GLU 2 4.039 -2.641 18.428 548 HB2 GLU 2 2HB GLU 2 2.853 -2.711 15.607 549 HB3 GLU 2 3HB GLU 2 4.467 -2.108 15.964 550 HG2 GLU 2 2HG GLU 2 4.541 -4.395 15.073 551 HG3 GLU 2 3HG GLU 2 5.169 -4.329 16.717 552 H GLU 3 H GLU 3 2.839 -1.088 19.833 553 HA GLU 3 HA GLU 3 2.033 1.410 18.459 554 HB2 GLU 3 2HB GLU 3 1.118 0.243 21.119 555 HB3 GLU 3 3HB GLU 3 0.711 1.862 20.571 556 HG2 GLU 3 2HG GLU 3 -0.065 -0.726 19.216 557 HG3 GLU 3 3HG GLU 3 -1.133 0.332 20.133 558 H LEU 4 H LEU 4 2.763 3.387 19.197 559 HA LEU 4 HA LEU 4 5.438 3.444 20.197 560 HB2 LEU 4 2HB LEU 4 3.469 5.731 19.720 561 HB3 LEU 4 3HB LEU 4 5.187 5.931 20.007 562 HG LEU 4 HG LEU 4 3.940 4.600 17.567 563 HD11 LEU 4 1HD1 LEU 4 4.748 6.544 16.308 564 HD12 LEU 4 2HD1 LEU 4 5.340 7.290 17.795 565 HD13 LEU 4 3HD1 LEU 4 3.609 7.024 17.564 566 HD21 LEU 4 1HD2 LEU 4 6.067 3.537 18.077 567 HD22 LEU 4 2HD2 LEU 4 6.873 5.104 18.171 568 HD23 LEU 4 3HD2 LEU 4 6.222 4.534 16.632 569 H SER 5 H SER 5 5.828 3.034 22.297 570 HA SER 5 HA SER 5 3.896 3.621 24.410 571 HB2 SER 5 2HB SER 5 5.552 2.218 25.766 572 HB3 SER 5 3HB SER 5 4.833 1.388 24.386 573 HG SER 5 HG SER 5 6.741 1.218 23.517 574 H GLY 6 H GLY 6 4.702 6.006 23.557 575 HA2 GLY 6 2HA GLY 6 5.428 8.011 24.530 576 HA3 GLY 6 3HA GLY 6 6.406 7.114 25.682 577 H LYS 7 H LYS 7 7.777 5.484 23.853 578 HA LYS 7 HA LYS 7 9.851 7.278 22.920 579 HB2 LYS 7 2HB LYS 7 9.635 4.224 23.026 580 HB3 LYS 7 3HB LYS 7 11.023 5.066 22.346 581 HG2 LYS 7 2HG LYS 7 11.584 4.375 24.580 582 HG3 LYS 7 3HG LYS 7 11.435 6.132 24.574 583 HD2 LYS 7 2HD LYS 7 9.153 5.911 25.562 584 HD3 LYS 7 3HD LYS 7 9.349 4.161 25.590 585 HE2 LYS 7 2HE LYS 7 11.030 6.161 27.137 586 HE3 LYS 7 3HE LYS 7 9.758 5.136 27.801 587 HZ1 LYS 7 1HZ LYS 7 12.295 4.173 26.585 588 HZ2 LYS 7 2HZ LYS 7 11.068 3.193 27.215 589 HZ3 LYS 7 3HZ LYS 7 11.936 4.220 28.238 590 HA PRO 8 HA PRO 8 8.432 7.141 18.608 591 HB2 PRO 8 2HB PRO 8 10.644 8.057 17.315 592 HB3 PRO 8 3HB PRO 8 9.732 9.109 18.416 593 HG2 PRO 8 2HG PRO 8 12.269 7.601 18.942 594 HG3 PRO 8 3HG PRO 8 11.853 9.276 19.364 595 HD2 PRO 8 2HD PRO 8 11.682 7.200 21.154 596 HD3 PRO 8 3HD PRO 8 10.666 8.653 21.243 597 H LEU 9 H LEU 9 9.267 6.255 16.382 598 HA LEU 9 HA LEU 9 10.191 3.548 16.669 599 HB2 LEU 9 2HB LEU 9 10.259 3.712 14.035 600 HB3 LEU 9 3HB LEU 9 8.738 3.631 14.888 601 HG LEU 9 HG LEU 9 8.430 6.092 14.588 602 HD11 LEU 9 1HD1 LEU 9 10.728 6.853 14.420 603 HD12 LEU 9 2HD1 LEU 9 9.808 7.353 13.004 604 HD13 LEU 9 3HD1 LEU 9 10.931 5.994 12.894 605 HD21 LEU 9 1HD2 LEU 9 8.863 4.540 12.019 606 HD22 LEU 9 2HD2 LEU 9 7.906 6.014 12.184 607 HD23 LEU 9 3HD2 LEU 9 7.403 4.545 13.013 608 H SER 10 H SER 10 12.162 2.691 16.123 609 HA SER 10 HA SER 10 14.508 4.299 16.441 610 HB2 SER 10 2HB SER 10 14.282 1.374 15.621 611 HB3 SER 10 3HB SER 10 15.682 2.156 16.357 612 HG SER 10 HG SER 10 14.768 1.340 18.097 613 H TYR 11 H TYR 11 16.440 3.753 14.833 614 HA TYR 11 HA TYR 11 15.903 4.929 12.315 615 HB2 TYR 11 2HB TYR 11 18.145 5.064 13.343 616 HB3 TYR 11 3HB TYR 11 18.343 3.318 13.227 617 HD1 TYR 11 HD1 TYR 11 17.562 6.234 10.964 618 HD2 TYR 11 HD2 TYR 11 19.688 2.559 11.419 619 HE1 TYR 11 HE1 TYR 11 18.559 6.540 8.744 620 HE2 TYR 11 HE2 TYR 11 20.692 2.869 9.189 621 HH TYR 11 HH TYR 11 19.969 4.228 6.999 622 H ALA 12 H ALA 12 16.473 1.569 13.308 623 HA ALA 12 HA ALA 12 16.258 0.324 10.791 624 HB1 ALA 12 1HB ALA 12 15.898 -1.759 12.059 625 HB2 ALA 12 2HB ALA 12 15.619 -0.825 13.531 626 HB3 ALA 12 3HB ALA 12 17.204 -0.802 12.755 627 H GLU 13 H GLU 13 13.816 1.126 13.230 628 HA GLU 13 HA GLU 13 11.614 -0.166 11.985 629 HB2 GLU 13 2HB GLU 13 11.587 2.161 13.954 630 HB3 GLU 13 3HB GLU 13 10.220 1.129 13.563 631 HG2 GLU 13 2HG GLU 13 12.750 0.318 14.997 632 HG3 GLU 13 3HG GLU 13 11.141 0.470 15.696 633 H LYS 14 H LYS 14 12.959 3.079 11.777 634 HA LYS 14 HA LYS 14 10.771 4.298 10.392 635 HB2 LYS 14 2HB LYS 14 12.386 5.506 11.878 636 HB3 LYS 14 3HB LYS 14 13.665 5.236 10.711 637 HG2 LYS 14 2HG LYS 14 11.201 6.678 9.758 638 HG3 LYS 14 3HG LYS 14 12.272 7.543 10.851 639 HD2 LYS 14 2HD LYS 14 13.063 6.349 8.165 640 HD3 LYS 14 3HD LYS 14 12.789 8.058 8.504 641 HE2 LYS 14 2HE LYS 14 14.678 7.982 10.163 642 HE3 LYS 14 3HE LYS 14 14.994 6.320 9.664 643 HZ1 LYS 14 1HZ LYS 14 15.127 8.714 7.904 644 HZ2 LYS 14 2HZ LYS 14 15.411 7.133 7.408 645 HZ3 LYS 14 3HZ LYS 14 16.456 7.870 8.522 646 H GLU 15 H GLU 15 13.852 2.800 9.416 647 HA GLU 15 HA GLU 15 13.664 3.606 6.664 648 HB2 GLU 15 2HB GLU 15 15.594 2.202 6.225 649 HB3 GLU 15 3HB GLU 15 15.864 3.126 7.694 650 HG2 GLU 15 2HG GLU 15 15.382 1.144 9.051 651 HG3 GLU 15 3HG GLU 15 15.041 0.212 7.594 652 H LYS 16 H LYS 16 12.911 0.552 8.418 653 HA LYS 16 HA LYS 16 12.075 -0.881 6.101 654 HB2 LYS 16 2HB LYS 16 11.145 -2.552 7.570 655 HB3 LYS 16 3HB LYS 16 12.664 -2.006 8.262 656 HG2 LYS 16 2HG LYS 16 11.398 -0.573 9.861 657 HG3 LYS 16 3HG LYS 16 9.891 -1.181 9.179 658 HD2 LYS 16 2HD LYS 16 10.433 -2.330 11.287 659 HD3 LYS 16 3HD LYS 16 10.449 -3.467 9.938 660 HE2 LYS 16 2HE LYS 16 12.876 -3.456 9.904 661 HE3 LYS 16 3HE LYS 16 12.926 -2.169 11.109 662 HZ1 LYS 16 1HZ LYS 16 12.069 -3.628 12.753 663 HZ2 LYS 16 2HZ LYS 16 13.352 -4.433 11.995 664 HZ3 LYS 16 3HZ LYS 16 11.756 -4.848 11.623 665 H LEU 17 H LEU 17 10.503 1.413 8.220 666 HA LEU 17 HA LEU 17 7.826 0.926 7.361 667 HB2 LEU 17 2HB LEU 17 8.860 2.222 9.492 668 HB3 LEU 17 3HB LEU 17 8.611 3.617 8.469 669 HG LEU 17 HG LEU 17 6.725 3.269 10.025 670 HD11 LEU 17 1HD1 LEU 17 6.249 4.323 7.850 671 HD12 LEU 17 2HD1 LEU 17 4.872 3.420 8.466 672 HD13 LEU 17 3HD1 LEU 17 5.857 2.742 7.163 673 HD21 LEU 17 1HD2 LEU 17 6.288 0.600 8.619 674 HD22 LEU 17 2HD2 LEU 17 5.263 1.303 9.875 675 HD23 LEU 17 3HD2 LEU 17 6.908 0.812 10.260 676 H LYS 18 H LYS 18 10.271 3.434 6.402 677 HA LYS 18 HA LYS 18 8.465 4.771 4.635 678 HB2 LYS 18 2HB LYS 18 10.436 6.052 3.820 679 HB3 LYS 18 3HB LYS 18 10.294 6.039 5.565 680 HG2 LYS 18 2HG LYS 18 12.574 5.781 5.279 681 HG3 LYS 18 3HG LYS 18 12.051 4.111 5.466 682 HD2 LYS 18 2HD LYS 18 12.061 3.936 2.920 683 HD3 LYS 18 3HD LYS 18 12.795 5.538 2.882 684 HE2 LYS 18 2HE LYS 18 14.719 4.688 4.174 685 HE3 LYS 18 3HE LYS 18 13.978 3.086 4.226 686 HZ1 LYS 18 1HZ LYS 18 15.617 3.175 2.482 687 HZ2 LYS 18 2HZ LYS 18 14.887 4.530 1.787 688 HZ3 LYS 18 3HZ LYS 18 14.084 3.040 1.776 689 H GLU 19 H GLU 19 10.769 2.118 4.155 690 HA GLU 19 HA GLU 19 10.412 2.045 1.273 691 HB2 GLU 19 2HB GLU 19 11.764 0.050 1.281 692 HB3 GLU 19 3HB GLU 19 12.491 1.215 2.381 693 HG2 GLU 19 2HG GLU 19 11.421 -0.004 4.288 694 HG3 GLU 19 3HG GLU 19 10.853 -1.206 3.137 695 H LYS 20 H LYS 20 8.843 0.534 4.073 696 HA LYS 20 HA LYS 20 7.119 -1.253 2.754 697 HB2 LYS 20 2HB LYS 20 6.786 -1.532 5.011 698 HB3 LYS 20 3HB LYS 20 7.124 0.149 5.382 699 HG2 LYS 20 2HG LYS 20 4.827 0.777 4.801 700 HG3 LYS 20 3HG LYS 20 4.465 -0.881 4.311 701 HD2 LYS 20 2HD LYS 20 5.241 -0.024 7.127 702 HD3 LYS 20 3HD LYS 20 3.591 -0.305 6.575 703 HE2 LYS 20 2HE LYS 20 5.797 -2.389 6.699 704 HE3 LYS 20 3HE LYS 20 4.433 -2.246 7.807 705 HZ1 LYS 20 1HZ LYS 20 4.026 -3.943 6.158 706 HZ2 LYS 20 2HZ LYS 20 4.242 -2.831 4.901 707 HZ3 LYS 20 3HZ LYS 20 2.931 -2.674 5.952 708 H LEU 21 H LEU 21 6.792 2.211 3.410 709 HA LEU 21 HA LEU 21 4.251 2.673 2.316 710 HB2 LEU 21 2HB LEU 21 6.616 4.588 2.508 711 HB3 LEU 21 3HB LEU 21 4.945 5.069 2.258 712 HG LEU 21 HG LEU 21 5.980 3.684 4.761 713 HD11 LEU 21 1HD1 LEU 21 5.747 5.850 5.888 714 HD12 LEU 21 2HD1 LEU 21 5.342 6.614 4.351 715 HD13 LEU 21 3HD1 LEU 21 6.942 5.913 4.594 716 HD21 LEU 21 1HD2 LEU 21 3.276 4.919 4.192 717 HD22 LEU 21 2HD2 LEU 21 3.816 4.267 5.741 718 HD23 LEU 21 3HD2 LEU 21 3.632 3.195 4.355 719 H ALA 22 H ALA 22 7.503 2.932 0.894 720 HA ALA 22 HA ALA 22 6.746 3.825 -1.695 721 HB1 ALA 22 1HB ALA 22 9.280 2.368 -0.837 722 HB2 ALA 22 2HB ALA 22 9.028 4.113 -0.799 723 HB3 ALA 22 3HB ALA 22 9.060 3.270 -2.345 724 H PHE 23 H PHE 23 7.174 0.610 -0.311 725 HA PHE 23 HA PHE 23 7.198 -0.881 -2.746 726 HB2 PHE 23 2HB PHE 23 8.196 -1.828 -0.735 727 HB3 PHE 23 3HB PHE 23 6.670 -1.730 0.135 728 HD1 PHE 23 HD1 PHE 23 8.206 -3.353 -2.894 729 HD2 PHE 23 HD2 PHE 23 5.314 -3.657 0.239 730 HE1 PHE 23 HE1 PHE 23 7.689 -5.656 -3.586 731 HE2 PHE 23 HE2 PHE 23 4.799 -5.949 -0.462 732 HZ PHE 23 HZ PHE 23 5.986 -6.961 -2.372 733 H LEU 24 H LEU 24 4.678 -0.393 -0.255 734 HA LEU 24 HA LEU 24 2.664 -1.781 -1.687 735 HB2 LEU 24 2HB LEU 24 1.102 -1.022 0.012 736 HB3 LEU 24 3HB LEU 24 2.577 -1.607 0.736 737 HG LEU 24 HG LEU 24 3.231 0.918 0.968 738 HD11 LEU 24 1HD1 LEU 24 1.501 1.901 -0.432 739 HD12 LEU 24 2HD1 LEU 24 1.351 2.478 1.221 740 HD13 LEU 24 3HD1 LEU 24 0.238 1.250 0.613 741 HD21 LEU 24 1HD2 LEU 24 2.082 1.100 3.138 742 HD22 LEU 24 2HD2 LEU 24 2.748 -0.510 2.892 743 HD23 LEU 24 3HD2 LEU 24 1.016 -0.240 2.695 744 H LYS 25 H LYS 25 3.735 1.551 -1.680 745 HA LYS 25 HA LYS 25 1.549 2.770 -3.011 746 HB2 LYS 25 2HB LYS 25 3.124 4.173 -1.880 747 HB3 LYS 25 3HB LYS 25 4.491 3.506 -2.766 748 HG2 LYS 25 2HG LYS 25 3.851 4.672 -4.782 749 HG3 LYS 25 3HG LYS 25 2.310 5.170 -4.082 750 HD2 LYS 25 2HD LYS 25 5.042 6.050 -3.069 751 HD3 LYS 25 3HD LYS 25 4.003 7.008 -4.127 752 HE2 LYS 25 2HE LYS 25 2.262 7.064 -2.375 753 HE3 LYS 25 3HE LYS 25 3.288 6.082 -1.325 754 HZ1 LYS 25 1HZ LYS 25 3.954 8.798 -2.329 755 HZ2 LYS 25 2HZ LYS 25 4.914 7.864 -1.300 756 HZ3 LYS 25 3HZ LYS 25 3.413 8.429 -0.773 757 H LYS 26 H LYS 26 4.625 1.437 -4.286 758 HA LYS 26 HA LYS 26 4.080 2.181 -6.990 759 HB2 LYS 26 2HB LYS 26 6.050 0.885 -7.612 760 HB3 LYS 26 3HB LYS 26 6.396 1.861 -6.192 761 HG2 LYS 26 2HG LYS 26 6.145 -0.131 -4.756 762 HG3 LYS 26 3HG LYS 26 5.786 -1.115 -6.176 763 HD2 LYS 26 2HD LYS 26 8.058 -0.628 -7.076 764 HD3 LYS 26 3HD LYS 26 8.412 0.336 -5.637 765 HE2 LYS 26 2HE LYS 26 8.084 -1.700 -4.231 766 HE3 LYS 26 3HE LYS 26 7.814 -2.644 -5.700 767 HZ1 LYS 26 1HZ LYS 26 10.297 -1.162 -5.036 768 HZ2 LYS 26 2HZ LYS 26 10.037 -2.068 -6.439 769 HZ3 LYS 26 3HZ LYS 26 10.091 -2.841 -4.935 770 H GLU 27 H GLU 27 3.709 -0.882 -5.154 771 HA GLU 27 HA GLU 27 2.872 -2.459 -7.364 772 HB2 GLU 27 2HB GLU 27 2.181 -4.157 -5.807 773 HB3 GLU 27 3HB GLU 27 3.662 -3.449 -5.182 774 HG2 GLU 27 2HG GLU 27 2.462 -2.233 -3.494 775 HG3 GLU 27 3HG GLU 27 0.910 -2.665 -4.197 776 H TYR 28 H TYR 28 1.119 -0.481 -4.977 777 HA TYR 28 HA TYR 28 -1.538 -1.028 -5.589 778 HB2 TYR 28 2HB TYR 28 -0.987 0.353 -3.692 779 HB3 TYR 28 3HB TYR 28 -0.161 1.539 -4.685 780 HD1 TYR 28 HD1 TYR 28 -3.518 0.257 -3.677 781 HD2 TYR 28 HD2 TYR 28 -1.402 3.361 -5.704 782 HE1 TYR 28 HE1 TYR 28 -5.564 1.617 -3.743 783 HE2 TYR 28 HE2 TYR 28 -3.440 4.716 -5.762 784 HH TYR 28 HH TYR 28 -5.879 4.354 -5.699 785 H SER 29 H SER 29 0.588 1.434 -7.014 786 HA SER 29 HA SER 29 -1.295 2.620 -8.728 787 HB2 SER 29 2HB SER 29 0.934 3.601 -7.993 788 HB3 SER 29 3HB SER 29 1.733 2.528 -9.141 789 HG SER 29 HG SER 29 0.063 3.613 -10.659 790 H ARG 30 H ARG 30 1.107 0.056 -9.300 791 HA ARG 30 HA ARG 30 0.629 -0.288 -12.091 792 HB2 ARG 30 2HB ARG 30 1.867 -2.155 -10.017 793 HB3 ARG 30 3HB ARG 30 1.938 -2.423 -11.756 794 HG2 ARG 30 2HG ARG 30 3.283 -0.436 -12.072 795 HG3 ARG 30 3HG ARG 30 3.081 0.022 -10.382 796 HD2 ARG 30 2HD ARG 30 4.378 -1.937 -9.677 797 HD3 ARG 30 3HD ARG 30 4.545 -2.453 -11.360 798 HE ARG 30 HE ARG 30 5.608 0.147 -10.414 799 HH11 ARG 30 1HH1 ARG 30 6.137 -2.931 -12.034 800 HH12 ARG 30 2HH1 ARG 30 7.747 -2.531 -12.539 801 HH21 ARG 30 1HH2 ARG 30 7.719 0.667 -11.082 802 HH22 ARG 30 2HH2 ARG 30 8.647 -0.482 -11.997 803 H THR 31 H THR 31 -0.528 -2.037 -9.207 804 HA THR 31 HA THR 31 -1.780 -4.113 -10.759 805 HB THR 31 HB THR 31 -0.600 -4.532 -8.546 806 HG1 THR 31 HG1 THR 31 -3.220 -5.493 -9.076 807 HG21 THR 31 1HG2 THR 31 -1.881 -4.338 -6.469 808 HG22 THR 31 2HG2 THR 31 -3.215 -3.566 -7.327 809 HG23 THR 31 3HG2 THR 31 -1.666 -2.738 -7.182 810 H LEU 32 H LEU 32 -2.882 -1.246 -9.032 811 HA LEU 32 HA LEU 32 -5.679 -1.687 -9.368 812 HB2 LEU 32 2HB LEU 32 -4.827 -0.022 -7.774 813 HB3 LEU 32 3HB LEU 32 -4.139 0.935 -9.066 814 HG LEU 32 HG LEU 32 -7.136 0.484 -9.105 815 HD11 LEU 32 1HD1 LEU 32 -5.866 2.522 -7.246 816 HD12 LEU 32 2HD1 LEU 32 -6.716 1.062 -6.747 817 HD13 LEU 32 3HD1 LEU 32 -7.593 2.338 -7.583 818 HD21 LEU 32 1HD2 LEU 32 -6.104 1.749 -10.948 819 HD22 LEU 32 2HD2 LEU 32 -5.461 2.920 -9.797 820 HD23 LEU 32 3HD2 LEU 32 -7.206 2.766 -10.018 821 H ALA 33 H ALA 33 -3.187 0.014 -11.286 822 HA ALA 33 HA ALA 33 -4.772 1.030 -13.339 823 HB1 ALA 33 1HB ALA 33 -2.711 1.139 -14.661 824 HB2 ALA 33 2HB ALA 33 -1.910 0.032 -13.536 825 HB3 ALA 33 3HB ALA 33 -2.412 1.640 -12.996 826 H ARG 34 H ARG 34 -3.152 -2.158 -13.158 827 HA ARG 34 HA ARG 34 -3.990 -3.040 -15.751 828 HB2 ARG 34 2HB ARG 34 -2.934 -5.138 -15.241 829 HB3 ARG 34 3HB ARG 34 -1.923 -3.859 -14.591 830 HG2 ARG 34 2HG ARG 34 -3.071 -4.334 -12.335 831 HG3 ARG 34 3HG ARG 34 -3.666 -5.811 -13.087 832 HD2 ARG 34 2HD ARG 34 -0.756 -5.023 -12.761 833 HD3 ARG 34 3HD ARG 34 -1.622 -6.222 -11.794 834 HE ARG 34 HE ARG 34 -1.513 -6.688 -14.679 835 HH11 ARG 34 1HH1 ARG 34 -0.133 -7.454 -11.541 836 HH12 ARG 34 2HH1 ARG 34 0.622 -8.908 -12.087 837 HH21 ARG 34 1HH2 ARG 34 -0.494 -8.605 -15.396 838 HH22 ARG 34 2HH2 ARG 34 0.417 -9.559 -14.271 839 H LEU 35 H LEU 35 -5.266 -3.465 -12.454 840 HA LEU 35 HA LEU 35 -7.425 -5.189 -12.942 841 HB2 LEU 35 2HB LEU 35 -6.595 -4.218 -10.699 842 HB3 LEU 35 3HB LEU 35 -7.527 -2.785 -11.057 843 HG LEU 35 HG LEU 35 -8.764 -5.565 -10.727 844 HD11 LEU 35 1HD1 LEU 35 -8.573 -3.362 -8.646 845 HD12 LEU 35 2HD1 LEU 35 -7.730 -4.910 -8.621 846 HD13 LEU 35 3HD1 LEU 35 -9.481 -4.871 -8.485 847 HD21 LEU 35 1HD2 LEU 35 -10.893 -4.396 -10.396 848 HD22 LEU 35 2HD2 LEU 35 -10.215 -4.048 -11.983 849 HD23 LEU 35 3HD2 LEU 35 -10.101 -2.844 -10.700 850 H GLN 36 H GLN 36 -7.088 -1.680 -13.439 851 HA GLN 36 HA GLN 36 -9.746 -1.199 -14.337 852 HB2 GLN 36 2HB GLN 36 -7.261 0.479 -14.906 853 HB3 GLN 36 3HB GLN 36 -8.930 1.005 -15.100 854 HG2 GLN 36 2HG GLN 36 -7.488 0.391 -12.512 855 HG3 GLN 36 3HG GLN 36 -8.034 1.961 -13.077 856 HE21 GLN 36 1HE2 GLN 36 -8.622 0.455 -10.582 857 HE22 GLN 36 2HE2 GLN 36 -10.346 0.363 -10.495 858 H ARG 37 H ARG 37 -6.711 -2.062 -16.035 859 HA ARG 37 HA ARG 37 -7.661 -1.531 -18.681 860 HB2 ARG 37 2HB ARG 37 -5.507 -3.559 -17.924 861 HB3 ARG 37 3HB ARG 37 -5.750 -2.830 -19.506 862 HG2 ARG 37 2HG ARG 37 -4.786 -1.474 -16.992 863 HG3 ARG 37 3HG ARG 37 -3.863 -1.772 -18.458 864 HD2 ARG 37 2HD ARG 37 -5.132 -0.107 -19.678 865 HD3 ARG 37 3HD ARG 37 -6.296 0.056 -18.358 866 HE ARG 37 HE ARG 37 -3.517 0.690 -17.740 867 HH11 ARG 37 1HH1 ARG 37 -6.702 1.959 -18.578 868 HH12 ARG 37 2HH1 ARG 37 -6.339 3.556 -18.013 869 HH21 ARG 37 1HH2 ARG 37 -3.060 2.782 -17.023 870 HH22 ARG 37 2HH2 ARG 37 -4.268 4.025 -17.129 871 H ALA 38 H ALA 38 -7.822 -4.346 -16.603 872 HA ALA 38 HA ALA 38 -8.897 -6.179 -18.510 873 HB1 ALA 38 1HB ALA 38 -7.772 -6.913 -16.438 874 HB2 ALA 38 2HB ALA 38 -9.404 -7.578 -16.538 875 HB3 ALA 38 3HB ALA 38 -9.067 -6.211 -15.469 876 H LYS 39 H LYS 39 -10.438 -4.223 -15.926 877 HA LYS 39 HA LYS 39 -13.059 -5.260 -16.504 878 HB2 LYS 39 2HB LYS 39 -13.831 -4.016 -14.609 879 HB3 LYS 39 3HB LYS 39 -12.259 -4.681 -14.194 880 HG2 LYS 39 2HG LYS 39 -11.217 -2.468 -14.584 881 HG3 LYS 39 3HG LYS 39 -12.792 -1.792 -14.997 882 HD2 LYS 39 2HD LYS 39 -11.953 -2.908 -12.297 883 HD3 LYS 39 3HD LYS 39 -12.198 -1.214 -12.696 884 HE2 LYS 39 2HE LYS 39 -14.363 -3.339 -12.701 885 HE3 LYS 39 3HE LYS 39 -14.088 -2.161 -11.422 886 HZ1 LYS 39 1HZ LYS 39 -15.873 -1.519 -12.937 887 HZ2 LYS 39 2HZ LYS 39 -14.778 -1.465 -14.225 888 HZ3 LYS 39 3HZ LYS 39 -14.616 -0.395 -12.930 889 H ARG 40 H ARG 40 -11.371 -2.259 -17.333 890 HA ARG 40 HA ARG 40 -13.799 -0.843 -18.093 891 HB2 ARG 40 2HB ARG 40 -10.864 -0.049 -18.303 892 HB3 ARG 40 3HB ARG 40 -12.182 0.972 -18.869 893 HG2 ARG 40 2HG ARG 40 -11.720 0.072 -16.013 894 HG3 ARG 40 3HG ARG 40 -11.445 1.688 -16.665 895 HD2 ARG 40 2HD ARG 40 -14.120 0.276 -16.401 896 HD3 ARG 40 3HD ARG 40 -13.545 1.646 -15.446 897 HE ARG 40 HE ARG 40 -13.483 2.886 -17.653 898 HH11 ARG 40 1HH1 ARG 40 -15.815 0.305 -17.081 899 HH12 ARG 40 2HH1 ARG 40 -16.970 0.942 -18.200 900 HH21 ARG 40 1HH2 ARG 40 -15.031 3.704 -19.126 901 HH22 ARG 40 2HH2 ARG 40 -16.527 2.855 -19.350 902 H ALA 41 H ALA 41 -11.015 -2.246 -19.825 903 HA ALA 41 HA ALA 41 -11.796 -1.333 -22.419 904 HB1 ALA 41 1HB ALA 41 -9.900 -3.601 -21.687 905 HB2 ALA 41 2HB ALA 41 -9.459 -1.902 -21.896 906 HB3 ALA 41 3HB ALA 41 -10.055 -2.828 -23.269 907 H GLU 42 H GLU 42 -12.169 -4.431 -20.674 908 HA GLU 42 HA GLU 42 -13.669 -6.132 -20.804 909 HB2 GLU 42 2HB GLU 42 -15.382 -4.209 -22.432 910 HB3 GLU 42 3HB GLU 42 -15.948 -5.660 -21.607 911 HG2 GLU 42 2HG GLU 42 -15.351 -4.673 -19.432 912 HG3 GLU 42 3HG GLU 42 -14.760 -3.229 -20.247 913 H LYS 43 H LYS 43 -11.799 -5.481 -23.144 914 HA LYS 43 HA LYS 43 -12.567 -6.429 -25.599 915 HB2 LYS 43 2HB LYS 43 -10.188 -6.785 -26.065 916 HB3 LYS 43 3HB LYS 43 -10.373 -5.331 -25.105 917 HG2 LYS 43 2HG LYS 43 -9.542 -8.012 -23.957 918 HG3 LYS 43 3HG LYS 43 -8.402 -6.778 -24.478 919 HD2 LYS 43 2HD LYS 43 -9.167 -5.258 -22.740 920 HD3 LYS 43 3HD LYS 43 -10.492 -6.341 -22.311 921 HE2 LYS 43 2HE LYS 43 -8.689 -6.476 -20.661 922 HE3 LYS 43 3HE LYS 43 -8.863 -8.016 -21.505 923 HZ1 LYS 43 1HZ LYS 43 -6.537 -7.350 -21.220 924 HZ2 LYS 43 2HZ LYS 43 -6.813 -5.950 -22.126 925 HZ3 LYS 43 3HZ LYS 43 -6.948 -7.468 -22.856 926 H ALA 44 H ALA 44 -11.689 -8.296 -22.755 927 HA ALA 44 HA ALA 44 -12.058 -10.855 -24.211 928 HB1 ALA 44 1HB ALA 44 -10.346 -11.805 -22.710 929 HB2 ALA 44 2HB ALA 44 -10.114 -10.223 -21.959 930 HB3 ALA 44 3HB ALA 44 -9.698 -10.465 -23.656 931 H LYS 45 H LYS 45 -13.710 -8.924 -22.311 932 HA LYS 45 HA LYS 45 -14.541 -10.553 -20.104 933 HB2 LYS 45 2HB LYS 45 -14.947 -8.107 -20.091 934 HB3 LYS 45 3HB LYS 45 -15.939 -8.243 -21.535 935 HG2 LYS 45 2HG LYS 45 -17.539 -9.705 -20.165 936 HG3 LYS 45 3HG LYS 45 -16.605 -9.232 -18.741 937 HD2 LYS 45 2HD LYS 45 -18.570 -7.794 -18.914 938 HD3 LYS 45 3HD LYS 45 -17.138 -6.819 -19.258 939 HE2 LYS 45 2HE LYS 45 -17.583 -7.004 -21.678 940 HE3 LYS 45 3HE LYS 45 -18.989 -8.022 -21.352 941 HZ1 LYS 45 1HZ LYS 45 -19.686 -5.763 -21.745 942 HZ2 LYS 45 2HZ LYS 45 -18.656 -5.182 -20.547 943 HZ3 LYS 45 3HZ LYS 45 -19.970 -6.151 -20.125 944 H ASN 46 H ASN 46 -15.947 -9.754 -23.278 945 HA ASN 46 HA ASN 46 -17.513 -10.626 -24.621 946 HB2 ASN 46 2HB ASN 46 -16.765 -13.269 -23.281 947 HB3 ASN 46 3HB ASN 46 -17.816 -13.135 -24.686 948 HD21 ASN 46 1HD2 ASN 46 -14.541 -12.728 -23.528 949 HD22 ASN 46 2HD2 ASN 46 -13.782 -12.730 -25.081 950 H SER 47 H SER 47 -19.426 -9.772 -24.183 951 HA SER 47 HA SER 47 -20.935 -10.189 -21.810 952 HB2 SER 47 2HB SER 47 -21.161 -8.143 -23.185 953 HB3 SER 47 3HB SER 47 -21.828 -9.091 -24.509 954 HG SER 47 HG SER 47 -22.994 -8.953 -21.926 955 H LYS 48 H LYS 48 -21.162 -12.374 -21.513 956 HA LYS 48 HA LYS 48 -22.089 -14.283 -23.392 957 HB2 LYS 48 2HB LYS 48 -20.740 -14.777 -21.334 958 HB3 LYS 48 3HB LYS 48 -22.131 -14.369 -20.343 959 HG2 LYS 48 2HG LYS 48 -21.913 -16.767 -20.455 960 HG3 LYS 48 3HG LYS 48 -23.365 -16.295 -21.341 961 HD2 LYS 48 2HD LYS 48 -22.161 -16.546 -23.474 962 HD3 LYS 48 3HD LYS 48 -20.674 -16.948 -22.613 963 HE2 LYS 48 2HE LYS 48 -23.237 -18.584 -22.543 964 HE3 LYS 48 3HE LYS 48 -21.808 -18.955 -23.509 965 HZ1 LYS 48 1HZ LYS 48 -21.887 -20.228 -21.450 966 HZ2 LYS 48 2HZ LYS 48 -21.861 -18.804 -20.542 967 HZ3 LYS 48 3HZ LYS 48 -20.526 -19.225 -21.499 968 H LYS 49 H LYS 49 -24.141 -15.325 -23.521 969 HA LYS 49 HA LYS 49 -26.443 -13.760 -23.543 970 HB2 LYS 49 2HB LYS 49 -26.144 -15.873 -24.840 971 HB3 LYS 49 3HB LYS 49 -26.238 -16.798 -23.348 972 HG2 LYS 49 2HG LYS 49 -28.600 -15.780 -23.058 973 HG3 LYS 49 3HG LYS 49 -28.450 -15.258 -24.738 974 HD2 LYS 49 2HD LYS 49 -29.678 -17.369 -24.640 975 HD3 LYS 49 3HD LYS 49 -28.117 -17.647 -25.418 976 HE2 LYS 49 2HE LYS 49 -27.221 -18.549 -23.302 977 HE3 LYS 49 3HE LYS 49 -28.768 -18.247 -22.508 978 HZ1 LYS 49 1HZ LYS 49 -28.385 -20.085 -24.819 979 HZ2 LYS 49 2HZ LYS 49 -29.817 -19.841 -23.955 980 HZ3 LYS 49 3HZ LYS 49 -28.491 -20.565 -23.202 981 H ALA 50 H ALA 50 -28.244 -13.617 -22.178 982 HA ALA 50 HA ALA 50 -27.852 -13.622 -19.389 983 HB1 ALA 50 1HB ALA 50 -29.473 -12.144 -20.512 984 HB2 ALA 50 2HB ALA 50 -30.261 -13.092 -19.249 985 HB3 ALA 50 3HB ALA 50 -30.461 -13.540 -20.945 986 H ILE 51 H ILE 51 -27.825 -15.287 -18.032 987 HA ILE 51 HA ILE 51 -28.502 -17.960 -18.759 988 HB ILE 51 HB ILE 51 -28.077 -18.513 -16.292 989 HG12 ILE 51 2HG1 ILE 51 -26.781 -16.652 -15.019 990 HG13 ILE 51 3HG1 ILE 51 -27.501 -15.510 -16.143 991 HG21 ILE 51 1HG2 ILE 51 -25.630 -18.171 -16.499 992 HG22 ILE 51 2HG2 ILE 51 -25.892 -17.047 -17.832 993 HG23 ILE 51 3HG2 ILE 51 -26.340 -18.745 -18.008 994 HD11 ILE 51 1HD1 ILE 51 -29.727 -16.088 -15.293 995 HD12 ILE 51 2HD1 ILE 51 -28.658 -15.554 -13.996 996 HD13 ILE 51 3HD1 ILE 51 -29.005 -17.271 -14.201 997 H GLU 52 H GLU 52 -30.400 -15.413 -17.599 998 HA GLU 52 HA GLU 52 -32.608 -17.107 -16.640 999 HB2 GLU 52 2HB GLU 52 -33.640 -15.015 -15.935 1000 HB3 GLU 52 3HB GLU 52 -31.971 -15.048 -15.368 1001 HG2 GLU 52 2HG GLU 52 -31.318 -13.615 -17.309 1002 HG3 GLU 52 3HG GLU 52 -33.019 -13.533 -17.777 1003 H ASP 53 H ASP 53 -34.822 -16.282 -17.394 1004 HA ASP 53 HA ASP 53 -34.933 -16.392 -20.342 1005 HB2 ASP 53 2HB ASP 53 -37.184 -16.770 -18.296 1006 HB3 ASP 53 3HB ASP 53 -37.247 -17.155 -20.014 1007 H GLY 54 H GLY 54 -34.359 -13.869 -18.742 1008 HA2 GLY 54 2HA GLY 54 -34.960 -11.655 -18.674 1009 HA3 GLY 54 3HA GLY 54 -36.138 -11.995 -19.937 1010 H VAL 55 H VAL 55 -35.607 -12.755 -16.500 1011 HA VAL 55 HA VAL 55 -38.353 -13.253 -15.947 1012 HB VAL 55 HB VAL 55 -36.667 -14.395 -14.632 1013 HG11 VAL 55 1HG1 VAL 55 -35.190 -13.285 -13.019 1014 HG12 VAL 55 2HG1 VAL 55 -35.781 -11.706 -13.548 1015 HG13 VAL 55 3HG1 VAL 55 -34.878 -12.730 -14.666 1016 HG21 VAL 55 1HG2 VAL 55 -38.815 -14.006 -13.508 1017 HG22 VAL 55 2HG2 VAL 55 -38.218 -12.485 -12.841 1018 HG23 VAL 55 3HG2 VAL 55 -37.498 -14.015 -12.335 1019 HA PRO 56 HA PRO 56 -39.484 -8.863 -15.498 1020 HB2 PRO 56 2HB PRO 56 -42.112 -9.216 -14.793 1021 HB3 PRO 56 3HB PRO 56 -41.548 -9.439 -16.460 1022 HG2 PRO 56 2HG PRO 56 -42.005 -11.520 -14.347 1023 HG3 PRO 56 3HG PRO 56 -42.549 -11.519 -16.045 1024 HD2 PRO 56 2HD PRO 56 -40.358 -12.895 -15.288 1025 HD3 PRO 56 3HD PRO 56 -40.415 -12.066 -16.862 1026 H GLN 57 H GLN 57 -39.255 -7.600 -13.757 1027 HA GLN 57 HA GLN 57 -38.711 -8.726 -11.201 1028 HB2 GLN 57 2HB GLN 57 -38.126 -6.508 -10.428 1029 HB3 GLN 57 3HB GLN 57 -37.449 -6.757 -12.021 1030 HG2 GLN 57 2HG GLN 57 -39.914 -5.109 -11.432 1031 HG3 GLN 57 3HG GLN 57 -38.291 -4.467 -11.648 1032 HE21 GLN 57 1HE2 GLN 57 -41.057 -5.836 -13.247 1033 HE22 GLN 57 2HE2 GLN 57 -40.567 -5.431 -14.856 1034 HA PRO 58 HA PRO 58 -43.083 -8.682 -9.867 1035 HB2 PRO 58 2HB PRO 58 -42.596 -9.542 -7.254 1036 HB3 PRO 58 3HB PRO 58 -42.698 -10.625 -8.652 1037 HG2 PRO 58 2HG PRO 58 -40.253 -9.518 -7.324 1038 HG3 PRO 58 3HG PRO 58 -40.566 -11.171 -7.903 1039 HD2 PRO 58 2HD PRO 58 -39.074 -9.472 -9.343 1040 HD3 PRO 58 3HD PRO 58 -40.180 -10.612 -10.137 1041 H GLU 59 H GLU 59 -40.457 -7.360 -7.886 1042 HA GLU 59 HA GLU 59 -42.017 -4.919 -7.319 1043 HB2 GLU 59 2HB GLU 59 -40.490 -6.580 -5.254 1044 HB3 GLU 59 3HB GLU 59 -41.069 -4.941 -4.965 1045 HG2 GLU 59 2HG GLU 59 -43.371 -5.631 -5.138 1046 HG3 GLU 59 3HG GLU 59 -42.905 -7.229 -5.718 1047 H ALA 60 H ALA 60 -38.796 -6.142 -6.355 1048 HA ALA 60 HA ALA 60 -36.696 -5.391 -6.537 1049 HB1 ALA 60 1HB ALA 60 -37.554 -4.059 -9.120 1050 HB2 ALA 60 2HB ALA 60 -37.004 -5.728 -8.956 1051 HB3 ALA 60 3HB ALA 60 -35.893 -4.396 -8.624 1052 H LEU 61 H LEU 61 -38.374 -2.537 -7.880 1053 HA LEU 61 HA LEU 61 -36.831 -0.546 -6.707 1054 HB2 LEU 61 2HB LEU 61 -38.369 -0.111 -8.570 1055 HB3 LEU 61 3HB LEU 61 -39.750 -0.495 -7.561 1056 HG LEU 61 HG LEU 61 -39.267 1.546 -6.168 1057 HD11 LEU 61 1HD1 LEU 61 -37.183 2.184 -8.267 1058 HD12 LEU 61 2HD1 LEU 61 -36.872 1.769 -6.580 1059 HD13 LEU 61 3HD1 LEU 61 -37.724 3.260 -6.974 1060 HD21 LEU 61 1HD2 LEU 61 -40.116 3.177 -7.801 1061 HD22 LEU 61 2HD2 LEU 61 -40.946 1.631 -7.940 1062 HD23 LEU 61 3HD2 LEU 61 -39.712 2.075 -9.121 1063 H GLU 62 H GLU 62 -36.724 0.325 -4.725 1064 HA GLU 62 HA GLU 62 -38.413 -0.793 -2.586 1065 HB2 GLU 62 2HB GLU 62 -36.561 -0.097 -1.028 1066 HB3 GLU 62 3HB GLU 62 -36.102 -1.316 -2.190 1067 HG2 GLU 62 2HG GLU 62 -35.397 1.612 -2.520 1068 HG3 GLU 62 3HG GLU 62 -34.371 0.483 -1.657 Start of MODEL 10 1 H1 MET 1 1H MET 1 3.637 -16.774 -9.740 2 H2 MET 1 2H MET 1 4.653 -15.438 -9.582 3 H3 MET 1 3H MET 1 5.283 -16.996 -9.397 4 HA MET 1 HA MET 1 5.882 -16.078 -11.533 5 HB2 MET 1 2HB MET 1 5.487 -18.541 -11.304 6 HB3 MET 1 3HB MET 1 3.809 -18.303 -11.755 7 HG2 MET 1 2HG MET 1 4.514 -17.548 -13.992 8 HG3 MET 1 3HG MET 1 6.202 -17.777 -13.534 9 HE1 MET 1 1HE MET 1 2.753 -19.602 -14.245 10 HE2 MET 1 2HE MET 1 3.120 -20.139 -12.604 11 HE3 MET 1 3HE MET 1 3.190 -21.285 -13.940 12 H GLU 2 H GLU 2 5.110 -14.000 -11.809 13 HA GLU 2 HA GLU 2 2.340 -13.513 -12.641 14 HB2 GLU 2 2HB GLU 2 4.637 -11.601 -12.017 15 HB3 GLU 2 3HB GLU 2 3.055 -11.076 -12.576 16 HG2 GLU 2 2HG GLU 2 3.270 -10.790 -10.160 17 HG3 GLU 2 3HG GLU 2 2.004 -11.937 -10.563 18 H GLU 3 H GLU 3 2.926 -14.954 -14.530 19 HA GLU 3 HA GLU 3 4.391 -13.761 -16.699 20 HB2 GLU 3 2HB GLU 3 4.164 -16.220 -16.550 21 HB3 GLU 3 3HB GLU 3 2.416 -16.091 -16.703 22 HG2 GLU 3 2HG GLU 3 2.556 -15.395 -18.987 23 HG3 GLU 3 3HG GLU 3 4.284 -15.089 -18.875 24 H LEU 4 H LEU 4 3.660 -11.824 -17.253 25 HA LEU 4 HA LEU 4 0.943 -10.965 -17.097 26 HB2 LEU 4 2HB LEU 4 3.315 -9.582 -18.417 27 HB3 LEU 4 3HB LEU 4 1.806 -8.821 -17.940 28 HG LEU 4 HG LEU 4 3.883 -9.983 -16.030 29 HD11 LEU 4 1HD1 LEU 4 4.325 -7.651 -15.389 30 HD12 LEU 4 2HD1 LEU 4 3.185 -7.088 -16.613 31 HD13 LEU 4 3HD1 LEU 4 4.663 -7.924 -17.099 32 HD21 LEU 4 1HD2 LEU 4 1.643 -10.220 -15.073 33 HD22 LEU 4 2HD2 LEU 4 1.296 -8.520 -15.389 34 HD23 LEU 4 3HD2 LEU 4 2.539 -8.966 -14.217 35 H SER 5 H SER 5 -0.120 -12.443 -18.414 36 HA SER 5 HA SER 5 0.304 -12.436 -21.316 37 HB2 SER 5 2HB SER 5 -0.142 -14.562 -20.040 38 HB3 SER 5 3HB SER 5 -1.729 -13.940 -19.594 39 HG SER 5 HG SER 5 -1.417 -15.393 -21.546 40 H GLY 6 H GLY 6 -1.935 -12.282 -22.589 41 HA2 GLY 6 2HA GLY 6 -2.840 -9.556 -22.187 42 HA3 GLY 6 3HA GLY 6 -3.281 -10.622 -23.507 43 H LYS 7 H LYS 7 -3.812 -11.873 -20.342 44 HA LYS 7 HA LYS 7 -6.694 -11.857 -20.712 45 HB2 LYS 7 2HB LYS 7 -4.840 -13.233 -18.719 46 HB3 LYS 7 3HB LYS 7 -6.587 -13.248 -18.511 47 HG2 LYS 7 2HG LYS 7 -5.861 -15.325 -19.524 48 HG3 LYS 7 3HG LYS 7 -6.842 -14.415 -20.673 49 HD2 LYS 7 2HD LYS 7 -4.701 -13.619 -21.754 50 HD3 LYS 7 3HD LYS 7 -3.814 -14.693 -20.670 51 HE2 LYS 7 2HE LYS 7 -4.119 -15.710 -22.883 52 HE3 LYS 7 3HE LYS 7 -4.973 -16.636 -21.650 53 HZ1 LYS 7 1HZ LYS 7 -6.218 -14.658 -23.473 54 HZ2 LYS 7 2HZ LYS 7 -7.029 -15.596 -22.332 55 HZ3 LYS 7 3HZ LYS 7 -6.285 -16.334 -23.657 56 HA PRO 8 HA PRO 8 -7.227 -8.665 -17.480 57 HB2 PRO 8 2HB PRO 8 -9.907 -8.708 -17.242 58 HB3 PRO 8 3HB PRO 8 -9.168 -8.167 -18.766 59 HG2 PRO 8 2HG PRO 8 -10.369 -10.836 -18.108 60 HG3 PRO 8 3HG PRO 8 -10.572 -9.841 -19.568 61 HD2 PRO 8 2HD PRO 8 -8.786 -11.956 -19.385 62 HD3 PRO 8 3HD PRO 8 -8.609 -10.597 -20.517 63 H LEU 9 H LEU 9 -8.257 -8.625 -15.227 64 HA LEU 9 HA LEU 9 -7.773 -11.085 -13.827 65 HB2 LEU 9 2HB LEU 9 -8.700 -9.705 -11.810 66 HB3 LEU 9 3HB LEU 9 -7.140 -9.320 -12.499 67 HG LEU 9 HG LEU 9 -8.166 -7.373 -13.698 68 HD11 LEU 9 1HD1 LEU 9 -10.485 -8.077 -13.867 69 HD12 LEU 9 2HD1 LEU 9 -10.368 -6.525 -13.043 70 HD13 LEU 9 3HD1 LEU 9 -10.666 -7.997 -12.114 71 HD21 LEU 9 1HD2 LEU 9 -8.488 -7.381 -10.679 72 HD22 LEU 9 2HD2 LEU 9 -8.376 -5.942 -11.697 73 HD23 LEU 9 3HD2 LEU 9 -7.009 -7.044 -11.584 74 H SER 10 H SER 10 -9.191 -12.502 -12.953 75 HA SER 10 HA SER 10 -11.893 -12.708 -13.942 76 HB2 SER 10 2HB SER 10 -10.442 -14.375 -11.834 77 HB3 SER 10 3HB SER 10 -11.920 -14.833 -12.694 78 HG SER 10 HG SER 10 -9.270 -14.757 -13.590 79 H TYR 11 H TYR 11 -13.609 -13.364 -12.118 80 HA TYR 11 HA TYR 11 -14.240 -11.137 -10.536 81 HB2 TYR 11 2HB TYR 11 -15.969 -12.729 -11.205 82 HB3 TYR 11 3HB TYR 11 -15.180 -14.034 -10.334 83 HD1 TYR 11 HD1 TYR 11 -16.233 -10.533 -9.334 84 HD2 TYR 11 HD2 TYR 11 -16.557 -14.727 -8.568 85 HE1 TYR 11 HE1 TYR 11 -17.649 -10.079 -7.369 86 HE2 TYR 11 HE2 TYR 11 -17.971 -14.269 -6.624 87 HH TYR 11 HH TYR 11 -19.350 -11.298 -5.985 88 H ALA 12 H ALA 12 -12.752 -14.230 -9.628 89 HA ALA 12 HA ALA 12 -12.346 -13.783 -6.879 90 HB1 ALA 12 1HB ALA 12 -10.733 -15.640 -7.018 91 HB2 ALA 12 2HB ALA 12 -10.728 -15.520 -8.780 92 HB3 ALA 12 3HB ALA 12 -12.197 -16.008 -7.931 93 H GLU 13 H GLU 13 -10.324 -13.041 -9.709 94 HA GLU 13 HA GLU 13 -8.016 -12.237 -8.221 95 HB2 GLU 13 2HB GLU 13 -8.648 -11.505 -11.102 96 HB3 GLU 13 3HB GLU 13 -7.067 -11.542 -10.335 97 HG2 GLU 13 2HG GLU 13 -8.818 -13.889 -11.072 98 HG3 GLU 13 3HG GLU 13 -7.256 -13.454 -11.758 99 H LYS 14 H LYS 14 -10.806 -10.600 -9.543 100 HA LYS 14 HA LYS 14 -9.919 -7.902 -9.340 101 HB2 LYS 14 2HB LYS 14 -11.778 -8.698 -10.828 102 HB3 LYS 14 3HB LYS 14 -12.767 -9.040 -9.423 103 HG2 LYS 14 2HG LYS 14 -11.777 -6.225 -9.953 104 HG3 LYS 14 3HG LYS 14 -13.172 -6.855 -10.818 105 HD2 LYS 14 2HD LYS 14 -12.925 -6.548 -7.803 106 HD3 LYS 14 3HD LYS 14 -13.888 -5.536 -8.880 107 HE2 LYS 14 2HE LYS 14 -15.294 -7.491 -9.462 108 HE3 LYS 14 3HE LYS 14 -14.333 -8.505 -8.377 109 HZ1 LYS 14 1HZ LYS 14 -15.963 -6.150 -7.566 110 HZ2 LYS 14 2HZ LYS 14 -15.038 -7.101 -6.520 111 HZ3 LYS 14 3HZ LYS 14 -16.371 -7.771 -7.308 112 H GLU 15 H GLU 15 -11.781 -10.076 -7.222 113 HA GLU 15 HA GLU 15 -12.355 -8.060 -5.255 114 HB2 GLU 15 2HB GLU 15 -13.410 -9.819 -3.961 115 HB3 GLU 15 3HB GLU 15 -13.879 -9.970 -5.649 116 HG2 GLU 15 2HG GLU 15 -12.212 -11.795 -5.917 117 HG3 GLU 15 3HG GLU 15 -11.836 -11.674 -4.202 118 H LYS 16 H LYS 16 -9.911 -10.681 -5.502 119 HA LYS 16 HA LYS 16 -8.778 -10.205 -2.922 120 HB2 LYS 16 2HB LYS 16 -6.996 -11.666 -3.510 121 HB3 LYS 16 3HB LYS 16 -8.423 -12.308 -4.311 122 HG2 LYS 16 2HG LYS 16 -7.669 -11.261 -6.445 123 HG3 LYS 16 3HG LYS 16 -6.225 -10.680 -5.624 124 HD2 LYS 16 2HD LYS 16 -5.734 -12.693 -6.940 125 HD3 LYS 16 3HD LYS 16 -5.500 -13.010 -5.219 126 HE2 LYS 16 2HE LYS 16 -7.581 -14.224 -5.097 127 HE3 LYS 16 3HE LYS 16 -8.028 -13.725 -6.730 128 HZ1 LYS 16 1HZ LYS 16 -6.199 -15.011 -7.603 129 HZ2 LYS 16 2HZ LYS 16 -7.221 -15.990 -6.682 130 HZ3 LYS 16 3HZ LYS 16 -5.739 -15.489 -6.046 131 H LEU 17 H LEU 17 -8.376 -8.724 -6.050 132 HA LEU 17 HA LEU 17 -5.942 -7.321 -5.497 133 HB2 LEU 17 2HB LEU 17 -7.287 -7.917 -7.796 134 HB3 LEU 17 3HB LEU 17 -7.815 -6.262 -7.601 135 HG LEU 17 HG LEU 17 -5.860 -6.428 -9.096 136 HD11 LEU 17 1HD1 LEU 17 -6.125 -4.375 -7.745 137 HD12 LEU 17 2HD1 LEU 17 -4.445 -4.726 -8.118 138 HD13 LEU 17 3HD1 LEU 17 -5.074 -5.060 -6.499 139 HD21 LEU 17 1HD2 LEU 17 -3.654 -7.166 -8.297 140 HD22 LEU 17 2HD2 LEU 17 -4.828 -8.470 -8.140 141 HD23 LEU 17 3HD2 LEU 17 -4.329 -7.558 -6.710 142 H LYS 18 H LYS 18 -9.411 -6.362 -5.449 143 HA LYS 18 HA LYS 18 -8.884 -3.645 -4.794 144 HB2 LYS 18 2HB LYS 18 -11.308 -3.426 -4.355 145 HB3 LYS 18 3HB LYS 18 -10.983 -4.222 -5.879 146 HG2 LYS 18 2HG LYS 18 -12.773 -5.456 -5.069 147 HG3 LYS 18 3HG LYS 18 -11.399 -6.433 -4.560 148 HD2 LYS 18 2HD LYS 18 -11.575 -5.335 -2.279 149 HD3 LYS 18 3HD LYS 18 -13.058 -4.558 -2.830 150 HE2 LYS 18 2HE LYS 18 -14.110 -6.763 -3.161 151 HE3 LYS 18 3HE LYS 18 -12.608 -7.561 -2.682 152 HZ1 LYS 18 1HZ LYS 18 -14.132 -7.513 -0.840 153 HZ2 LYS 18 2HZ LYS 18 -14.305 -5.838 -0.954 154 HZ3 LYS 18 3HZ LYS 18 -12.822 -6.503 -0.489 155 H GLU 19 H GLU 19 -9.432 -6.547 -2.790 156 HA GLU 19 HA GLU 19 -9.499 -5.059 -0.304 157 HB2 GLU 19 2HB GLU 19 -9.555 -7.176 0.824 158 HB3 GLU 19 3HB GLU 19 -10.580 -7.301 -0.599 159 HG2 GLU 19 2HG GLU 19 -8.758 -8.500 -1.785 160 HG3 GLU 19 3HG GLU 19 -7.774 -8.411 -0.327 161 H LYS 20 H LYS 20 -6.981 -6.615 -2.240 162 HA LYS 20 HA LYS 20 -4.762 -6.306 -0.572 163 HB2 LYS 20 2HB LYS 20 -4.109 -7.398 -2.500 164 HB3 LYS 20 3HB LYS 20 -5.179 -6.464 -3.527 165 HG2 LYS 20 2HG LYS 20 -3.594 -4.602 -3.568 166 HG3 LYS 20 3HG LYS 20 -2.522 -5.443 -2.442 167 HD2 LYS 20 2HD LYS 20 -3.243 -6.405 -5.241 168 HD3 LYS 20 3HD LYS 20 -1.746 -5.578 -4.805 169 HE2 LYS 20 2HE LYS 20 -2.662 -8.256 -3.718 170 HE3 LYS 20 3HE LYS 20 -1.425 -8.015 -4.953 171 HZ1 LYS 20 1HZ LYS 20 -1.285 -7.005 -2.168 172 HZ2 LYS 20 2HZ LYS 20 -0.087 -6.837 -3.351 173 HZ3 LYS 20 3HZ LYS 20 -0.473 -8.366 -2.757 174 H LEU 21 H LEU 21 -6.163 -4.015 -2.897 175 HA LEU 21 HA LEU 21 -4.438 -1.851 -2.499 176 HB2 LEU 21 2HB LEU 21 -7.371 -1.761 -3.349 177 HB3 LEU 21 3HB LEU 21 -6.198 -0.470 -3.569 178 HG LEU 21 HG LEU 21 -6.139 -3.181 -4.947 179 HD11 LEU 21 1HD1 LEU 21 -6.604 -1.936 -7.008 180 HD12 LEU 21 2HD1 LEU 21 -6.728 -0.437 -6.083 181 HD13 LEU 21 3HD1 LEU 21 -7.895 -1.735 -5.825 182 HD21 LEU 21 1HD2 LEU 21 -3.854 -2.423 -4.544 183 HD22 LEU 21 2HD2 LEU 21 -4.217 -0.862 -5.287 184 HD23 LEU 21 3HD2 LEU 21 -4.252 -2.336 -6.259 185 H ALA 22 H ALA 22 -7.588 -2.614 -1.053 186 HA ALA 22 HA ALA 22 -8.007 -0.333 0.504 187 HB1 ALA 22 1HB ALA 22 -9.661 -1.691 1.729 188 HB2 ALA 22 2HB ALA 22 -8.988 -3.164 1.022 189 HB3 ALA 22 3HB ALA 22 -9.773 -1.967 -0.009 190 H PHE 23 H PHE 23 -6.470 -3.415 1.337 191 HA PHE 23 HA PHE 23 -6.064 -2.910 4.095 192 HB2 PHE 23 2HB PHE 23 -6.129 -5.189 3.243 193 HB3 PHE 23 3HB PHE 23 -4.744 -4.895 2.199 194 HD1 PHE 23 HD1 PHE 23 -5.706 -4.840 5.837 195 HD2 PHE 23 HD2 PHE 23 -2.615 -5.558 2.968 196 HE1 PHE 23 HE1 PHE 23 -4.213 -5.620 7.634 197 HE2 PHE 23 HE2 PHE 23 -1.135 -6.330 4.768 198 HZ PHE 23 HZ PHE 23 -1.926 -6.367 7.100 199 H LEU 24 H LEU 24 -3.788 -2.783 1.322 200 HA LEU 24 HA LEU 24 -1.606 -1.937 2.932 201 HB2 LEU 24 2HB LEU 24 -0.328 -1.711 0.890 202 HB3 LEU 24 3HB LEU 24 -1.226 -3.210 0.912 203 HG LEU 24 HG LEU 24 -2.924 -1.992 -0.658 204 HD11 LEU 24 1HD1 LEU 24 -2.126 0.288 -0.408 205 HD12 LEU 24 2HD1 LEU 24 -1.967 -0.232 -2.078 206 HD13 LEU 24 3HD1 LEU 24 -0.542 -0.161 -1.042 207 HD21 LEU 24 1HD2 LEU 24 -1.625 -2.597 -2.668 208 HD22 LEU 24 2HD2 LEU 24 -1.497 -3.832 -1.419 209 HD23 LEU 24 3HD2 LEU 24 -0.156 -2.715 -1.691 210 H LYS 25 H LYS 25 -4.093 -0.123 1.223 211 HA LYS 25 HA LYS 25 -2.637 2.392 1.304 212 HB2 LYS 25 2HB LYS 25 -4.532 3.433 0.266 213 HB3 LYS 25 3HB LYS 25 -4.326 1.867 -0.504 214 HG2 LYS 25 2HG LYS 25 -6.164 0.976 0.952 215 HG3 LYS 25 3HG LYS 25 -6.421 2.606 1.564 216 HD2 LYS 25 2HD LYS 25 -6.709 1.750 -1.348 217 HD3 LYS 25 3HD LYS 25 -8.042 1.978 -0.216 218 HE2 LYS 25 2HE LYS 25 -6.139 4.125 -1.199 219 HE3 LYS 25 3HE LYS 25 -7.829 3.927 -1.663 220 HZ1 LYS 25 1HZ LYS 25 -8.427 4.309 0.683 221 HZ2 LYS 25 2HZ LYS 25 -7.659 5.631 -0.031 222 HZ3 LYS 25 3HZ LYS 25 -6.804 4.637 1.031 223 H LYS 26 H LYS 26 -5.133 0.813 3.301 224 HA LYS 26 HA LYS 26 -5.662 3.141 4.910 225 HB2 LYS 26 2HB LYS 26 -6.959 1.724 6.362 226 HB3 LYS 26 3HB LYS 26 -7.273 1.225 4.706 227 HG2 LYS 26 2HG LYS 26 -5.760 -0.701 4.994 228 HG3 LYS 26 3HG LYS 26 -5.429 -0.200 6.653 229 HD2 LYS 26 2HD LYS 26 -7.851 -0.525 7.199 230 HD3 LYS 26 3HD LYS 26 -8.125 -1.081 5.545 231 HE2 LYS 26 2HE LYS 26 -6.570 -2.968 5.924 232 HE3 LYS 26 3HE LYS 26 -6.300 -2.414 7.578 233 HZ1 LYS 26 1HZ LYS 26 -8.929 -3.245 6.480 234 HZ2 LYS 26 2HZ LYS 26 -8.604 -2.817 8.077 235 HZ3 LYS 26 3HZ LYS 26 -7.928 -4.223 7.426 236 H GLU 27 H GLU 27 -3.482 0.316 5.213 237 HA GLU 27 HA GLU 27 -2.423 1.091 7.756 238 HB2 GLU 27 2HB GLU 27 -0.729 -0.588 7.474 239 HB3 GLU 27 3HB GLU 27 -2.218 -1.245 6.808 240 HG2 GLU 27 2HG GLU 27 -1.428 -0.760 4.534 241 HG3 GLU 27 3HG GLU 27 0.045 -0.061 5.187 242 H TYR 28 H TYR 28 -1.550 1.758 4.377 243 HA TYR 28 HA TYR 28 0.887 3.072 4.615 244 HB2 TYR 28 2HB TYR 28 -0.090 2.528 2.442 245 HB3 TYR 28 3HB TYR 28 -1.442 3.609 2.716 246 HD1 TYR 28 HD1 TYR 28 2.282 3.579 2.148 247 HD2 TYR 28 HD2 TYR 28 -1.317 5.883 1.943 248 HE1 TYR 28 HE1 TYR 28 3.476 5.346 0.929 249 HE2 TYR 28 HE2 TYR 28 -0.109 7.645 0.719 250 HH TYR 28 HH TYR 28 2.171 8.448 0.402 251 H SER 29 H SER 29 -2.391 4.498 4.701 252 HA SER 29 HA SER 29 -1.517 7.158 5.094 253 HB2 SER 29 2HB SER 29 -3.944 7.593 5.640 254 HB3 SER 29 3HB SER 29 -3.685 6.740 4.118 255 HG SER 29 HG SER 29 -5.061 5.948 6.296 256 H ARG 30 H ARG 30 -2.715 4.675 7.391 257 HA ARG 30 HA ARG 30 -2.741 6.338 9.700 258 HB2 ARG 30 2HB ARG 30 -3.979 4.207 9.562 259 HB3 ARG 30 3HB ARG 30 -2.469 3.306 9.496 260 HG2 ARG 30 2HG ARG 30 -1.922 4.043 11.788 261 HG3 ARG 30 3HG ARG 30 -3.413 4.982 11.852 262 HD2 ARG 30 2HD ARG 30 -4.729 2.891 11.640 263 HD3 ARG 30 3HD ARG 30 -3.224 1.959 11.590 264 HE ARG 30 HE ARG 30 -2.914 3.270 13.889 265 HH11 ARG 30 1HH1 ARG 30 -5.741 1.513 12.728 266 HH12 ARG 30 2HH1 ARG 30 -6.265 1.091 14.334 267 HH21 ARG 30 1HH2 ARG 30 -3.597 2.686 15.956 268 HH22 ARG 30 2HH2 ARG 30 -5.052 1.753 16.154 269 H THR 31 H THR 31 -0.294 4.045 8.511 270 HA THR 31 HA THR 31 1.456 4.440 10.745 271 HB THR 31 HB THR 31 1.227 2.237 9.496 272 HG1 THR 31 HG1 THR 31 3.802 3.364 9.974 273 HG21 THR 31 1HG2 THR 31 3.162 3.518 7.532 274 HG22 THR 31 2HG2 THR 31 1.497 3.077 7.166 275 HG23 THR 31 3HG2 THR 31 2.676 1.826 7.562 276 H LEU 32 H LEU 32 1.237 5.786 7.490 277 HA LEU 32 HA LEU 32 3.760 7.160 7.542 278 HB2 LEU 32 2HB LEU 32 2.441 6.683 5.471 279 HB3 LEU 32 3HB LEU 32 1.240 7.856 5.961 280 HG LEU 32 HG LEU 32 4.126 8.732 5.511 281 HD11 LEU 32 1HD1 LEU 32 3.616 9.235 3.155 282 HD12 LEU 32 2HD1 LEU 32 2.037 8.459 3.317 283 HD13 LEU 32 3HD1 LEU 32 3.513 7.505 3.479 284 HD21 LEU 32 1HD2 LEU 32 3.120 10.896 4.920 285 HD22 LEU 32 2HD2 LEU 32 2.615 10.388 6.528 286 HD23 LEU 32 3HD2 LEU 32 1.504 10.230 5.168 287 H ALA 33 H ALA 33 0.468 7.920 8.605 288 HA ALA 33 HA ALA 33 0.729 10.645 9.199 289 HB1 ALA 33 1HB ALA 33 -0.985 8.579 10.637 290 HB2 ALA 33 2HB ALA 33 -1.439 9.451 9.167 291 HB3 ALA 33 3HB ALA 33 -1.217 10.334 10.679 292 H ARG 34 H ARG 34 1.090 7.821 11.349 293 HA ARG 34 HA ARG 34 2.050 9.251 13.612 294 HB2 ARG 34 2HB ARG 34 2.490 7.079 14.611 295 HB3 ARG 34 3HB ARG 34 0.945 7.036 13.770 296 HG2 ARG 34 2HG ARG 34 2.114 5.919 11.839 297 HG3 ARG 34 3HG ARG 34 3.562 5.827 12.838 298 HD2 ARG 34 2HD ARG 34 0.890 4.536 13.451 299 HD3 ARG 34 3HD ARG 34 2.327 3.710 12.842 300 HE ARG 34 HE ARG 34 2.592 5.151 15.376 301 HH11 ARG 34 1HH1 ARG 34 2.177 2.015 13.827 302 HH12 ARG 34 2HH1 ARG 34 2.681 1.127 15.228 303 HH21 ARG 34 1HH2 ARG 34 3.255 3.976 17.187 304 HH22 ARG 34 2HH2 ARG 34 3.291 2.244 17.134 305 H LEU 35 H LEU 35 3.688 7.715 10.850 306 HA LEU 35 HA LEU 35 6.365 7.827 11.675 307 HB2 LEU 35 2HB LEU 35 5.610 6.742 9.575 308 HB3 LEU 35 3HB LEU 35 5.234 8.296 8.870 309 HG LEU 35 HG LEU 35 8.107 7.658 9.666 310 HD11 LEU 35 1HD1 LEU 35 8.575 6.774 7.431 311 HD12 LEU 35 2HD1 LEU 35 6.860 6.862 7.018 312 HD13 LEU 35 3HD1 LEU 35 7.409 5.762 8.282 313 HD21 LEU 35 1HD2 LEU 35 7.648 9.980 9.000 314 HD22 LEU 35 2HD2 LEU 35 6.989 9.428 7.461 315 HD23 LEU 35 3HD2 LEU 35 8.700 9.186 7.828 316 H GLN 36 H GLN 36 4.365 10.311 10.077 317 HA GLN 36 HA GLN 36 6.358 12.315 9.952 318 HB2 GLN 36 2HB GLN 36 3.329 12.676 9.931 319 HB3 GLN 36 3HB GLN 36 4.506 13.901 9.463 320 HG2 GLN 36 2HG GLN 36 3.920 11.289 8.045 321 HG3 GLN 36 3HG GLN 36 3.552 12.910 7.476 322 HE21 GLN 36 1HE2 GLN 36 5.145 10.723 6.256 323 HE22 GLN 36 2HE2 GLN 36 6.696 11.403 5.928 324 H ARG 37 H ARG 37 3.792 11.614 12.323 325 HA ARG 37 HA ARG 37 4.187 13.908 13.949 326 HB2 ARG 37 2HB ARG 37 2.961 11.201 14.641 327 HB3 ARG 37 3HB ARG 37 2.893 12.614 15.691 328 HG2 ARG 37 2HG ARG 37 1.633 12.326 12.951 329 HG3 ARG 37 3HG ARG 37 0.797 12.416 14.501 330 HD2 ARG 37 2HD ARG 37 1.570 14.740 14.794 331 HD3 ARG 37 3HD ARG 37 2.458 14.647 13.268 332 HE ARG 37 HE ARG 37 -0.307 14.061 12.914 333 HH11 ARG 37 1HH1 ARG 37 1.955 16.735 13.288 334 HH12 ARG 37 2HH1 ARG 37 0.934 17.871 12.459 335 HH21 ARG 37 1HH2 ARG 37 -1.631 15.541 11.836 336 HH22 ARG 37 2HH2 ARG 37 -1.107 17.188 11.629 337 H ALA 38 H ALA 38 5.713 10.764 13.908 338 HA ALA 38 HA ALA 38 7.076 10.936 16.416 339 HB1 ALA 38 1HB ALA 38 7.663 9.220 13.976 340 HB2 ALA 38 2HB ALA 38 6.600 8.786 15.315 341 HB3 ALA 38 3HB ALA 38 8.331 8.975 15.594 342 H LYS 39 H LYS 39 8.069 11.503 13.029 343 HA LYS 39 HA LYS 39 10.792 12.168 13.702 344 HB2 LYS 39 2HB LYS 39 11.124 12.547 11.313 345 HB3 LYS 39 3HB LYS 39 10.213 11.062 11.556 346 HG2 LYS 39 2HG LYS 39 8.148 12.126 10.891 347 HG3 LYS 39 3HG LYS 39 8.914 13.712 10.837 348 HD2 LYS 39 2HD LYS 39 9.586 11.379 9.000 349 HD3 LYS 39 3HD LYS 39 8.535 12.732 8.582 350 HE2 LYS 39 2HE LYS 39 10.465 14.282 8.904 351 HE3 LYS 39 3HE LYS 39 11.500 12.888 9.215 352 HZ1 LYS 39 1HZ LYS 39 10.029 13.447 6.692 353 HZ2 LYS 39 2HZ LYS 39 10.951 12.067 6.980 354 HZ3 LYS 39 3HZ LYS 39 11.696 13.582 6.925 355 H ARG 40 H ARG 40 7.876 14.059 13.137 356 HA ARG 40 HA ARG 40 9.311 16.573 12.848 357 HB2 ARG 40 2HB ARG 40 6.341 15.973 12.996 358 HB3 ARG 40 3HB ARG 40 6.998 17.594 12.809 359 HG2 ARG 40 2HG ARG 40 7.459 15.325 10.842 360 HG3 ARG 40 3HG ARG 40 6.207 16.553 10.679 361 HD2 ARG 40 2HD ARG 40 8.009 17.205 9.260 362 HD3 ARG 40 3HD ARG 40 8.039 18.295 10.644 363 HE ARG 40 HE ARG 40 9.800 16.064 11.016 364 HH11 ARG 40 1HH1 ARG 40 9.570 19.154 9.312 365 HH12 ARG 40 2HH1 ARG 40 11.293 19.376 9.242 366 HH21 ARG 40 1HH2 ARG 40 12.087 16.402 10.931 367 HH22 ARG 40 2HH2 ARG 40 12.703 17.825 10.155 368 H ALA 41 H ALA 41 7.860 14.767 15.450 369 HA ALA 41 HA ALA 41 7.812 16.991 17.325 370 HB1 ALA 41 1HB ALA 41 7.198 15.262 18.991 371 HB2 ALA 41 2HB ALA 41 7.471 13.996 17.790 372 HB3 ALA 41 3HB ALA 41 6.175 15.171 17.556 373 H GLU 42 H GLU 42 9.656 13.932 17.009 374 HA GLU 42 HA GLU 42 11.562 13.120 17.926 375 HB2 GLU 42 2HB GLU 42 12.473 15.950 17.293 376 HB3 GLU 42 3HB GLU 42 13.577 14.656 17.757 377 HG2 GLU 42 2HG GLU 42 12.881 13.342 15.794 378 HG3 GLU 42 3HG GLU 42 11.769 14.623 15.326 379 H LYS 43 H LYS 43 9.660 14.166 19.777 380 HA LYS 43 HA LYS 43 10.599 15.643 21.920 381 HB2 LYS 43 2HB LYS 43 8.756 14.724 23.228 382 HB3 LYS 43 3HB LYS 43 8.208 15.027 21.590 383 HG2 LYS 43 2HG LYS 43 9.037 12.280 22.562 384 HG3 LYS 43 3HG LYS 43 7.386 12.880 22.684 385 HD2 LYS 43 2HD LYS 43 7.300 13.108 20.208 386 HD3 LYS 43 3HD LYS 43 8.954 12.493 20.102 387 HE2 LYS 43 2HE LYS 43 7.318 10.732 19.599 388 HE3 LYS 43 3HE LYS 43 8.221 10.340 21.060 389 HZ1 LYS 43 1HZ LYS 43 6.360 10.983 22.394 390 HZ2 LYS 43 2HZ LYS 43 5.805 9.908 21.210 391 HZ3 LYS 43 3HZ LYS 43 5.520 11.564 21.048 392 H ALA 44 H ALA 44 11.322 12.332 21.117 393 HA ALA 44 HA ALA 44 12.515 11.805 23.770 394 HB1 ALA 44 1HB ALA 44 11.591 9.849 21.635 395 HB2 ALA 44 2HB ALA 44 10.720 10.251 23.116 396 HB3 ALA 44 3HB ALA 44 12.273 9.420 23.207 397 H LYS 45 H LYS 45 13.710 13.244 21.244 398 HA LYS 45 HA LYS 45 15.950 11.689 20.417 399 HB2 LYS 45 2HB LYS 45 15.420 13.745 19.171 400 HB3 LYS 45 3HB LYS 45 15.628 14.732 20.616 401 HG2 LYS 45 2HG LYS 45 18.072 14.029 20.644 402 HG3 LYS 45 3HG LYS 45 17.813 13.255 19.087 403 HD2 LYS 45 2HD LYS 45 17.316 16.221 19.552 404 HD3 LYS 45 3HD LYS 45 18.890 15.590 19.086 405 HE2 LYS 45 2HE LYS 45 17.860 16.365 17.085 406 HE3 LYS 45 3HE LYS 45 17.758 14.606 17.033 407 HZ1 LYS 45 1HZ LYS 45 15.551 16.380 17.920 408 HZ2 LYS 45 2HZ LYS 45 15.475 14.709 17.659 409 HZ3 LYS 45 3HZ LYS 45 15.714 15.757 16.357 410 H ASN 46 H ASN 46 15.433 14.057 23.003 411 HA ASN 46 HA ASN 46 16.507 14.731 24.839 412 HB2 ASN 46 2HB ASN 46 16.128 12.392 25.549 413 HB3 ASN 46 3HB ASN 46 17.658 11.902 24.839 414 HD21 ASN 46 1HD2 ASN 46 16.188 13.873 27.367 415 HD22 ASN 46 2HD2 ASN 46 17.550 13.863 28.428 416 H SER 47 H SER 47 17.633 16.312 23.743 417 HA SER 47 HA SER 47 20.002 15.869 22.231 418 HB2 SER 47 2HB SER 47 18.800 18.473 23.258 419 HB3 SER 47 3HB SER 47 20.052 18.340 22.020 420 HG SER 47 HG SER 47 17.602 16.973 21.723 421 H LYS 48 H LYS 48 21.309 14.740 23.752 422 HA LYS 48 HA LYS 48 22.935 16.477 25.499 423 HB2 LYS 48 2HB LYS 48 21.894 13.678 26.180 424 HB3 LYS 48 3HB LYS 48 23.166 14.493 27.087 425 HG2 LYS 48 2HG LYS 48 21.540 16.323 27.635 426 HG3 LYS 48 3HG LYS 48 20.280 15.394 26.814 427 HD2 LYS 48 2HD LYS 48 20.653 13.518 28.438 428 HD3 LYS 48 3HD LYS 48 21.839 14.520 29.281 429 HE2 LYS 48 2HE LYS 48 20.085 16.170 29.810 430 HE3 LYS 48 3HE LYS 48 18.898 15.202 28.931 431 HZ1 LYS 48 1HZ LYS 48 20.349 14.394 31.396 432 HZ2 LYS 48 2HZ LYS 48 19.304 13.389 30.527 433 HZ3 LYS 48 3HZ LYS 48 18.711 14.785 31.266 434 H LYS 49 H LYS 49 24.838 14.497 26.171 435 HA LYS 49 HA LYS 49 26.393 14.542 23.748 436 HB2 LYS 49 2HB LYS 49 27.360 15.074 26.003 437 HB3 LYS 49 3HB LYS 49 27.096 13.410 26.492 438 HG2 LYS 49 2HG LYS 49 29.393 13.551 25.994 439 HG3 LYS 49 3HG LYS 49 28.688 12.728 24.608 440 HD2 LYS 49 2HD LYS 49 29.244 15.716 24.603 441 HD3 LYS 49 3HD LYS 49 30.477 14.541 24.171 442 HE2 LYS 49 2HE LYS 49 29.109 13.759 22.293 443 HE3 LYS 49 3HE LYS 49 27.823 14.877 22.741 444 HZ1 LYS 49 1HZ LYS 49 29.376 16.720 22.350 445 HZ2 LYS 49 2HZ LYS 49 29.129 15.796 20.958 446 HZ3 LYS 49 3HZ LYS 49 30.555 15.620 21.842 447 H ALA 50 H ALA 50 26.496 12.963 22.294 448 HA ALA 50 HA ALA 50 25.084 10.518 22.500 449 HB1 ALA 50 1HB ALA 50 27.137 11.391 20.448 450 HB2 ALA 50 2HB ALA 50 25.404 11.713 20.375 451 HB3 ALA 50 3HB ALA 50 25.998 10.055 20.266 452 H ILE 51 H ILE 51 25.694 8.575 23.197 453 HA ILE 51 HA ILE 51 28.212 8.264 24.591 454 HB ILE 51 HB ILE 51 27.180 6.031 25.355 455 HG12 ILE 51 2HG1 ILE 51 24.581 6.014 25.159 456 HG13 ILE 51 3HG1 ILE 51 24.776 7.149 23.835 457 HG21 ILE 51 1HG2 ILE 51 25.672 7.132 26.981 458 HG22 ILE 51 2HG2 ILE 51 25.699 8.607 26.014 459 HG23 ILE 51 3HG2 ILE 51 27.181 8.027 26.780 460 HD11 ILE 51 1HD1 ILE 51 25.990 5.436 22.561 461 HD12 ILE 51 2HD1 ILE 51 24.389 4.886 23.052 462 HD13 ILE 51 3HD1 ILE 51 25.818 4.315 23.914 463 H GLU 52 H GLU 52 27.497 7.732 21.422 464 HA GLU 52 HA GLU 52 28.959 5.192 21.166 465 HB2 GLU 52 2HB GLU 52 28.203 5.339 18.723 466 HB3 GLU 52 3HB GLU 52 26.968 5.042 19.933 467 HG2 GLU 52 2HG GLU 52 26.042 6.551 18.354 468 HG3 GLU 52 3HG GLU 52 26.356 7.466 19.822 469 H ASP 53 H ASP 53 30.406 5.043 19.183 470 HA ASP 53 HA ASP 53 32.622 6.841 19.639 471 HB2 ASP 53 2HB ASP 53 33.064 4.458 19.451 472 HB3 ASP 53 3HB ASP 53 32.289 4.377 17.879 473 H GLY 54 H GLY 54 33.806 7.909 17.973 474 HA2 GLY 54 2HA GLY 54 32.831 8.251 15.301 475 HA3 GLY 54 3HA GLY 54 32.546 9.674 16.306 476 H VAL 55 H VAL 55 35.266 7.336 16.223 477 HA VAL 55 HA VAL 55 37.236 9.425 16.373 478 HB VAL 55 HB VAL 55 37.706 7.262 17.434 479 HG11 VAL 55 1HG1 VAL 55 38.194 5.213 16.159 480 HG12 VAL 55 2HG1 VAL 55 37.747 6.028 14.657 481 HG13 VAL 55 3HG1 VAL 55 36.530 5.748 15.906 482 HG21 VAL 55 1HG2 VAL 55 39.648 8.609 16.735 483 HG22 VAL 55 2HG2 VAL 55 39.665 7.809 15.164 484 HG23 VAL 55 3HG2 VAL 55 40.021 6.886 16.624 485 HA PRO 56 HA PRO 56 37.682 9.837 11.815 486 HB2 PRO 56 2HB PRO 56 39.225 12.048 11.748 487 HB3 PRO 56 3HB PRO 56 37.538 12.148 12.299 488 HG2 PRO 56 2HG PRO 56 40.048 12.061 13.941 489 HG3 PRO 56 3HG PRO 56 38.612 13.093 14.132 490 HD2 PRO 56 2HD PRO 56 39.051 10.762 15.580 491 HD3 PRO 56 3HD PRO 56 37.448 11.477 15.294 492 H GLN 57 H GLN 57 39.796 10.372 10.430 493 HA GLN 57 HA GLN 57 41.652 8.232 10.885 494 HB2 GLN 57 2HB GLN 57 42.783 8.975 8.785 495 HB3 GLN 57 3HB GLN 57 41.076 8.649 8.575 496 HG2 GLN 57 2HG GLN 57 42.155 11.450 8.915 497 HG3 GLN 57 3HG GLN 57 42.070 10.657 7.351 498 HE21 GLN 57 1HE2 GLN 57 39.984 10.211 6.448 499 HE22 GLN 57 2HE2 GLN 57 38.585 11.071 6.984 500 HA PRO 58 HA PRO 58 44.429 10.589 13.572 501 HB2 PRO 58 2HB PRO 58 46.636 8.865 13.429 502 HB3 PRO 58 3HB PRO 58 45.229 8.623 14.482 503 HG2 PRO 58 2HG PRO 58 45.793 7.410 11.793 504 HG3 PRO 58 3HG PRO 58 45.154 6.639 13.271 505 HD2 PRO 58 2HD PRO 58 43.504 7.322 11.276 506 HD3 PRO 58 3HD PRO 58 43.004 7.530 12.967 507 H GLU 59 H GLU 59 46.359 9.147 10.881 508 HA GLU 59 HA GLU 59 47.695 11.711 10.411 509 HB2 GLU 59 2HB GLU 59 48.111 9.002 9.056 510 HB3 GLU 59 3HB GLU 59 49.063 10.444 8.737 511 HG2 GLU 59 2HG GLU 59 50.355 9.004 10.144 512 HG3 GLU 59 3HG GLU 59 49.851 10.390 11.111 513 H ALA 60 H ALA 60 46.388 9.282 8.114 514 HA ALA 60 HA ALA 60 44.411 10.830 6.846 515 HB1 ALA 60 1HB ALA 60 46.267 12.298 6.109 516 HB2 ALA 60 2HB ALA 60 45.543 11.466 4.731 517 HB3 ALA 60 3HB ALA 60 47.087 10.913 5.385 518 H LEU 61 H LEU 61 43.283 8.908 6.706 519 HA LEU 61 HA LEU 61 44.469 6.630 5.254 520 HB2 LEU 61 2HB LEU 61 41.972 6.827 6.985 521 HB3 LEU 61 3HB LEU 61 42.278 5.447 5.945 522 HG LEU 61 HG LEU 61 44.487 5.125 7.232 523 HD11 LEU 61 1HD1 LEU 61 44.670 6.043 9.472 524 HD12 LEU 61 2HD1 LEU 61 43.198 6.984 9.236 525 HD13 LEU 61 3HD1 LEU 61 44.635 7.334 8.273 526 HD21 LEU 61 1HD2 LEU 61 41.894 4.732 8.765 527 HD22 LEU 61 2HD2 LEU 61 43.418 3.897 9.075 528 HD23 LEU 61 3HD2 LEU 61 42.570 3.636 7.553 529 H GLU 62 H GLU 62 41.262 8.243 5.280 530 HA GLU 62 HA GLU 62 41.231 8.287 2.336 531 HB2 GLU 62 2HB GLU 62 39.964 6.281 3.029 532 HB3 GLU 62 3HB GLU 62 38.974 7.244 4.121 533 HG2 GLU 62 2HG GLU 62 37.738 6.703 2.087 534 HG3 GLU 62 3HG GLU 62 37.997 8.438 2.207 535 H1 MET 1 1H MET 1 2.468 -8.578 18.987 536 H2 MET 1 2H MET 1 2.920 -10.017 19.754 537 H3 MET 1 3H MET 1 3.927 -9.332 18.579 538 HA MET 1 HA MET 1 3.248 -8.146 21.194 539 HB2 MET 1 2HB MET 1 4.782 -10.079 21.394 540 HB3 MET 1 3HB MET 1 5.858 -9.369 20.203 541 HG2 MET 1 2HG MET 1 6.311 -7.493 21.751 542 HG3 MET 1 3HG MET 1 5.249 -8.241 22.941 543 HE1 MET 1 1HE MET 1 8.629 -8.635 20.911 544 HE2 MET 1 2HE MET 1 7.789 -10.142 20.527 545 HE3 MET 1 3HE MET 1 9.226 -10.169 21.543 546 H GLU 2 H GLU 2 2.888 -6.049 20.701 547 HA GLU 2 HA GLU 2 5.031 -4.424 19.567 548 HB2 GLU 2 2HB GLU 2 3.755 -5.095 17.558 549 HB3 GLU 2 3HB GLU 2 2.262 -4.523 18.292 550 HG2 GLU 2 2HG GLU 2 3.302 -2.213 18.352 551 HG3 GLU 2 3HG GLU 2 4.626 -2.855 17.382 552 H GLU 3 H GLU 3 5.220 -3.006 21.196 553 HA GLU 3 HA GLU 3 3.014 -2.319 22.927 554 HB2 GLU 3 2HB GLU 3 5.299 -2.719 23.815 555 HB3 GLU 3 3HB GLU 3 5.893 -1.317 22.927 556 HG2 GLU 3 2HG GLU 3 4.346 0.135 24.250 557 HG3 GLU 3 3HG GLU 3 3.843 -1.284 25.169 558 H LEU 4 H LEU 4 1.549 -0.894 22.170 559 HA LEU 4 HA LEU 4 2.193 1.451 20.597 560 HB2 LEU 4 2HB LEU 4 -0.392 0.744 22.052 561 HB3 LEU 4 3HB LEU 4 -0.205 2.012 20.851 562 HG LEU 4 HG LEU 4 0.004 -0.982 20.319 563 HD11 LEU 4 1HD1 LEU 4 -2.112 -0.713 19.103 564 HD12 LEU 4 2HD1 LEU 4 -2.177 0.990 19.562 565 HD13 LEU 4 3HD1 LEU 4 -2.289 -0.264 20.798 566 HD21 LEU 4 1HD2 LEU 4 1.481 0.243 18.798 567 HD22 LEU 4 2HD2 LEU 4 0.163 1.324 18.344 568 HD23 LEU 4 3HD2 LEU 4 0.087 -0.389 17.925 569 H SER 5 H SER 5 3.763 2.451 21.970 570 HA SER 5 HA SER 5 2.739 3.650 24.493 571 HB2 SER 5 2HB SER 5 4.591 1.961 24.769 572 HB3 SER 5 3HB SER 5 5.639 2.990 23.793 573 HG SER 5 HG SER 5 5.031 3.174 26.417 574 H GLY 6 H GLY 6 4.221 5.667 25.062 575 HA2 GLY 6 2HA GLY 6 3.785 7.660 23.013 576 HA3 GLY 6 3HA GLY 6 4.448 7.925 24.617 577 H LYS 7 H LYS 7 6.170 5.476 23.091 578 HA LYS 7 HA LYS 7 8.491 7.050 22.512 579 HB2 LYS 7 2HB LYS 7 7.790 4.113 22.108 580 HB3 LYS 7 3HB LYS 7 9.291 4.786 21.484 581 HG2 LYS 7 2HG LYS 7 9.739 3.689 23.582 582 HG3 LYS 7 3HG LYS 7 9.950 5.425 23.789 583 HD2 LYS 7 2HD LYS 7 7.715 5.557 24.863 584 HD3 LYS 7 3HD LYS 7 7.525 3.812 24.673 585 HE2 LYS 7 2HE LYS 7 8.215 4.391 26.961 586 HE3 LYS 7 3HE LYS 7 9.465 3.440 26.157 587 HZ1 LYS 7 1HZ LYS 7 9.477 6.394 26.466 588 HZ2 LYS 7 2HZ LYS 7 10.694 5.471 25.739 589 HZ3 LYS 7 3HZ LYS 7 10.382 5.306 27.393 590 HA PRO 8 HA PRO 8 7.516 7.620 18.065 591 HB2 PRO 8 2HB PRO 8 9.799 8.784 17.248 592 HB3 PRO 8 3HB PRO 8 8.765 9.621 18.426 593 HG2 PRO 8 2HG PRO 8 11.264 8.035 18.926 594 HG3 PRO 8 3HG PRO 8 10.786 9.614 19.587 595 HD2 PRO 8 2HD PRO 8 10.433 7.215 20.933 596 HD3 PRO 8 3HD PRO 8 9.468 8.676 21.230 597 H LEU 9 H LEU 9 9.000 7.152 15.941 598 HA LEU 9 HA LEU 9 9.819 4.385 16.016 599 HB2 LEU 9 2HB LEU 9 10.522 4.883 13.570 600 HB3 LEU 9 3HB LEU 9 8.822 4.913 13.981 601 HG LEU 9 HG LEU 9 8.914 7.432 14.024 602 HD11 LEU 9 1HD1 LEU 9 11.259 7.861 14.415 603 HD12 LEU 9 2HD1 LEU 9 10.755 8.618 12.907 604 HD13 LEU 9 3HD1 LEU 9 11.692 7.119 12.875 605 HD21 LEU 9 1HD2 LEU 9 9.676 6.138 11.393 606 HD22 LEU 9 2HD2 LEU 9 8.897 7.713 11.588 607 HD23 LEU 9 3HD2 LEU 9 8.053 6.250 12.080 608 H SER 10 H SER 10 11.876 3.563 15.944 609 HA SER 10 HA SER 10 14.189 5.234 16.500 610 HB2 SER 10 2HB SER 10 14.018 2.235 15.946 611 HB3 SER 10 3HB SER 10 15.391 3.092 16.661 612 HG SER 10 HG SER 10 12.840 2.600 17.764 613 H TYR 11 H TYR 11 16.224 4.582 15.075 614 HA TYR 11 HA TYR 11 15.929 5.481 12.437 615 HB2 TYR 11 2HB TYR 11 18.074 5.592 13.619 616 HB3 TYR 11 3HB TYR 11 18.163 3.839 13.714 617 HD1 TYR 11 HD1 TYR 11 17.432 6.142 10.801 618 HD2 TYR 11 HD2 TYR 11 20.040 3.184 12.448 619 HE1 TYR 11 HE1 TYR 11 18.755 6.142 8.732 620 HE2 TYR 11 HE2 TYR 11 21.361 3.198 10.380 621 HH TYR 11 HH TYR 11 21.206 3.856 8.068 622 H ALA 12 H ALA 12 16.257 2.183 13.710 623 HA ALA 12 HA ALA 12 16.147 0.740 11.288 624 HB1 ALA 12 1HB ALA 12 15.679 -1.222 12.710 625 HB2 ALA 12 2HB ALA 12 15.341 -0.159 14.079 626 HB3 ALA 12 3HB ALA 12 16.969 -0.234 13.400 627 H GLU 13 H GLU 13 13.616 1.855 13.516 628 HA GLU 13 HA GLU 13 11.462 0.455 12.265 629 HB2 GLU 13 2HB GLU 13 11.226 2.912 14.043 630 HB3 GLU 13 3HB GLU 13 9.980 1.714 13.718 631 HG2 GLU 13 2HG GLU 13 12.496 1.370 15.352 632 HG3 GLU 13 3HG GLU 13 10.829 1.323 15.918 633 H LYS 14 H LYS 14 12.876 3.635 11.913 634 HA LYS 14 HA LYS 14 10.846 4.881 10.362 635 HB2 LYS 14 2HB LYS 14 12.587 6.092 11.693 636 HB3 LYS 14 3HB LYS 14 13.833 5.530 10.597 637 HG2 LYS 14 2HG LYS 14 11.543 7.224 9.565 638 HG3 LYS 14 3HG LYS 14 12.897 7.978 10.395 639 HD2 LYS 14 2HD LYS 14 13.053 6.330 7.846 640 HD3 LYS 14 3HD LYS 14 13.216 8.082 7.970 641 HE2 LYS 14 2HE LYS 14 15.270 7.809 9.319 642 HE3 LYS 14 3HE LYS 14 15.108 6.050 9.219 643 HZ1 LYS 14 1HZ LYS 14 15.480 7.867 6.895 644 HZ2 LYS 14 2HZ LYS 14 15.374 6.185 6.819 645 HZ3 LYS 14 3HZ LYS 14 16.690 6.916 7.587 646 H GLU 15 H GLU 15 13.827 3.111 9.574 647 HA GLU 15 HA GLU 15 13.662 3.616 6.749 648 HB2 GLU 15 2HB GLU 15 15.653 2.239 6.533 649 HB3 GLU 15 3HB GLU 15 15.835 3.334 7.893 650 HG2 GLU 15 2HG GLU 15 15.284 1.483 9.443 651 HG3 GLU 15 3HG GLU 15 15.166 0.390 8.066 652 H LYS 16 H LYS 16 12.803 0.840 8.855 653 HA LYS 16 HA LYS 16 12.024 -0.871 6.698 654 HB2 LYS 16 2HB LYS 16 11.099 -2.362 8.310 655 HB3 LYS 16 3HB LYS 16 12.516 -1.653 9.069 656 HG2 LYS 16 2HG LYS 16 11.030 -0.091 10.325 657 HG3 LYS 16 3HG LYS 16 9.632 -0.864 9.588 658 HD2 LYS 16 2HD LYS 16 9.976 -1.689 11.871 659 HD3 LYS 16 3HD LYS 16 10.202 -2.996 10.706 660 HE2 LYS 16 2HE LYS 16 12.603 -2.872 10.942 661 HE3 LYS 16 3HE LYS 16 12.481 -1.397 11.906 662 HZ1 LYS 16 1HZ LYS 16 11.399 -2.635 13.644 663 HZ2 LYS 16 2HZ LYS 16 12.882 -3.352 13.273 664 HZ3 LYS 16 3HZ LYS 16 11.447 -4.055 12.729 665 H LEU 17 H LEU 17 10.448 1.710 8.444 666 HA LEU 17 HA LEU 17 7.765 1.143 7.609 667 HB2 LEU 17 2HB LEU 17 8.824 2.709 9.573 668 HB3 LEU 17 3HB LEU 17 8.512 3.954 8.385 669 HG LEU 17 HG LEU 17 6.660 3.755 10.003 670 HD11 LEU 17 1HD1 LEU 17 6.116 4.471 7.701 671 HD12 LEU 17 2HD1 LEU 17 4.780 3.639 8.481 672 HD13 LEU 17 3HD1 LEU 17 5.750 2.796 7.265 673 HD21 LEU 17 1HD2 LEU 17 5.254 1.746 10.155 674 HD22 LEU 17 2HD2 LEU 17 6.920 1.358 10.575 675 HD23 LEU 17 3HD2 LEU 17 6.283 0.901 8.990 676 H LYS 18 H LYS 18 10.286 3.430 6.436 677 HA LYS 18 HA LYS 18 8.632 4.607 4.447 678 HB2 LYS 18 2HB LYS 18 10.685 5.655 3.555 679 HB3 LYS 18 3HB LYS 18 10.542 5.850 5.289 680 HG2 LYS 18 2HG LYS 18 12.805 5.411 5.049 681 HG3 LYS 18 3HG LYS 18 12.167 3.815 5.428 682 HD2 LYS 18 2HD LYS 18 12.163 3.332 2.934 683 HD3 LYS 18 3HD LYS 18 12.990 4.867 2.694 684 HE2 LYS 18 2HE LYS 18 14.888 4.070 4.029 685 HE3 LYS 18 3HE LYS 18 14.042 2.559 4.360 686 HZ1 LYS 18 1HZ LYS 18 15.642 2.256 2.606 687 HZ2 LYS 18 2HZ LYS 18 14.963 3.510 1.703 688 HZ3 LYS 18 3HZ LYS 18 14.084 2.091 1.965 689 H GLU 19 H GLU 19 10.820 1.790 4.407 690 HA GLU 19 HA GLU 19 10.579 1.395 1.546 691 HB2 GLU 19 2HB GLU 19 11.834 -0.628 1.836 692 HB3 GLU 19 3HB GLU 19 12.548 0.597 2.878 693 HG2 GLU 19 2HG GLU 19 11.382 -0.411 4.821 694 HG3 GLU 19 3HG GLU 19 10.727 -1.658 3.763 695 H LYS 20 H LYS 20 8.861 0.227 4.409 696 HA LYS 20 HA LYS 20 7.063 -1.569 3.265 697 HB2 LYS 20 2HB LYS 20 6.706 -1.501 5.545 698 HB3 LYS 20 3HB LYS 20 7.023 0.222 5.658 699 HG2 LYS 20 2HG LYS 20 4.758 0.737 4.883 700 HG3 LYS 20 3HG LYS 20 4.414 -0.979 4.636 701 HD2 LYS 20 2HD LYS 20 5.021 0.344 7.310 702 HD3 LYS 20 3HD LYS 20 3.413 -0.094 6.729 703 HE2 LYS 20 2HE LYS 20 5.676 -2.037 7.248 704 HE3 LYS 20 3HE LYS 20 4.297 -1.757 8.314 705 HZ1 LYS 20 1HZ LYS 20 4.138 -2.788 5.539 706 HZ2 LYS 20 2HZ LYS 20 2.835 -2.566 6.599 707 HZ3 LYS 20 3HZ LYS 20 4.012 -3.722 6.941 708 H LEU 21 H LEU 21 6.795 1.964 3.584 709 HA LEU 21 HA LEU 21 4.323 2.336 2.328 710 HB2 LEU 21 2HB LEU 21 6.658 4.298 2.458 711 HB3 LEU 21 3HB LEU 21 4.989 4.715 2.098 712 HG LEU 21 HG LEU 21 6.032 3.686 4.763 713 HD11 LEU 21 1HD1 LEU 21 5.494 5.921 5.622 714 HD12 LEU 21 2HD1 LEU 21 5.030 6.439 4.000 715 HD13 LEU 21 3HD1 LEU 21 6.702 5.989 4.340 716 HD21 LEU 21 1HD2 LEU 21 3.762 2.858 4.397 717 HD22 LEU 21 2HD2 LEU 21 3.198 4.494 4.048 718 HD23 LEU 21 3HD2 LEU 21 3.790 4.087 5.659 719 H ALA 22 H ALA 22 7.632 2.524 1.072 720 HA ALA 22 HA ALA 22 7.159 3.338 -1.551 721 HB1 ALA 22 1HB ALA 22 9.433 2.513 -2.033 722 HB2 ALA 22 2HB ALA 22 9.438 1.614 -0.510 723 HB3 ALA 22 3HB ALA 22 9.381 3.377 -0.496 724 H PHE 23 H PHE 23 7.451 0.070 -0.215 725 HA PHE 23 HA PHE 23 7.292 -1.360 -2.651 726 HB2 PHE 23 2HB PHE 23 8.302 -2.357 -0.672 727 HB3 PHE 23 3HB PHE 23 6.795 -2.229 0.225 728 HD1 PHE 23 HD1 PHE 23 8.192 -3.806 -2.895 729 HD2 PHE 23 HD2 PHE 23 5.410 -4.136 0.339 730 HE1 PHE 23 HE1 PHE 23 7.582 -6.070 -3.644 731 HE2 PHE 23 HE2 PHE 23 4.807 -6.391 -0.420 732 HZ PHE 23 HZ PHE 23 5.892 -7.367 -2.407 733 H LEU 24 H LEU 24 4.825 -0.783 -0.112 734 HA LEU 24 HA LEU 24 2.798 -2.191 -1.517 735 HB2 LEU 24 2HB LEU 24 1.262 -1.492 0.221 736 HB3 LEU 24 3HB LEU 24 2.767 -2.059 0.903 737 HG LEU 24 HG LEU 24 3.377 0.467 1.179 738 HD11 LEU 24 1HD1 LEU 24 1.628 1.453 -0.189 739 HD12 LEU 24 2HD1 LEU 24 1.473 1.989 1.476 740 HD13 LEU 24 3HD1 LEU 24 0.380 0.756 0.845 741 HD21 LEU 24 1HD2 LEU 24 2.222 0.603 3.354 742 HD22 LEU 24 2HD2 LEU 24 2.915 -0.994 3.088 743 HD23 LEU 24 3HD2 LEU 24 1.178 -0.746 2.893 744 H LYS 25 H LYS 25 3.791 1.191 -1.593 745 HA LYS 25 HA LYS 25 1.336 2.117 -2.842 746 HB2 LYS 25 2HB LYS 25 2.287 4.317 -2.912 747 HB3 LYS 25 3HB LYS 25 2.754 3.610 -1.371 748 HG2 LYS 25 2HG LYS 25 5.001 3.088 -2.358 749 HG3 LYS 25 3HG LYS 25 4.522 3.951 -3.817 750 HD2 LYS 25 2HD LYS 25 4.716 5.169 -1.028 751 HD3 LYS 25 3HD LYS 25 5.924 5.338 -2.302 752 HE2 LYS 25 2HE LYS 25 3.074 6.375 -2.389 753 HE3 LYS 25 3HE LYS 25 4.534 7.339 -2.174 754 HZ1 LYS 25 1HZ LYS 25 5.260 6.597 -4.385 755 HZ2 LYS 25 2HZ LYS 25 3.822 7.479 -4.430 756 HZ3 LYS 25 3HZ LYS 25 3.785 5.796 -4.590 757 H LYS 26 H LYS 26 4.569 1.132 -3.975 758 HA LYS 26 HA LYS 26 4.154 2.032 -6.676 759 HB2 LYS 26 2HB LYS 26 6.194 0.901 -7.261 760 HB3 LYS 26 3HB LYS 26 6.432 1.645 -5.685 761 HG2 LYS 26 2HG LYS 26 6.137 -0.527 -4.587 762 HG3 LYS 26 3HG LYS 26 5.841 -1.298 -6.146 763 HD2 LYS 26 2HD LYS 26 8.149 -0.685 -6.859 764 HD3 LYS 26 3HD LYS 26 8.431 0.039 -5.271 765 HE2 LYS 26 2HE LYS 26 8.071 -2.172 -4.208 766 HE3 LYS 26 3HE LYS 26 7.819 -2.893 -5.802 767 HZ1 LYS 26 1HZ LYS 26 10.305 -1.558 -4.883 768 HZ2 LYS 26 2HZ LYS 26 10.072 -2.272 -6.401 769 HZ3 LYS 26 3HZ LYS 26 10.075 -3.230 -5.006 770 H GLU 27 H GLU 27 3.684 -1.059 -4.950 771 HA GLU 27 HA GLU 27 2.833 -2.507 -7.268 772 HB2 GLU 27 2HB GLU 27 2.155 -4.284 -5.820 773 HB3 GLU 27 3HB GLU 27 3.640 -3.621 -5.152 774 HG2 GLU 27 2HG GLU 27 2.350 -2.420 -3.446 775 HG3 GLU 27 3HG GLU 27 0.853 -3.034 -4.133 776 H TYR 28 H TYR 28 1.202 -0.573 -4.775 777 HA TYR 28 HA TYR 28 -1.487 -1.011 -5.303 778 HB2 TYR 28 2HB TYR 28 -0.740 0.341 -3.410 779 HB3 TYR 28 3HB TYR 28 -0.061 1.556 -4.472 780 HD1 TYR 28 HD1 TYR 28 -3.335 0.061 -3.362 781 HD2 TYR 28 HD2 TYR 28 -1.400 3.440 -5.128 782 HE1 TYR 28 HE1 TYR 28 -5.415 1.354 -3.179 783 HE2 TYR 28 HE2 TYR 28 -3.486 4.728 -4.936 784 HH TYR 28 HH TYR 28 -5.902 4.334 -4.742 785 H SER 29 H SER 29 0.647 1.472 -6.751 786 HA SER 29 HA SER 29 -1.341 2.591 -8.430 787 HB2 SER 29 2HB SER 29 0.626 3.743 -9.526 788 HB3 SER 29 3HB SER 29 0.557 3.928 -7.774 789 HG SER 29 HG SER 29 2.460 2.747 -9.315 790 H ARG 30 H ARG 30 1.279 0.220 -9.070 791 HA ARG 30 HA ARG 30 0.868 0.002 -11.877 792 HB2 ARG 30 2HB ARG 30 2.945 -0.735 -10.779 793 HB3 ARG 30 3HB ARG 30 2.078 -2.012 -9.930 794 HG2 ARG 30 2HG ARG 30 1.582 -3.110 -12.096 795 HG3 ARG 30 3HG ARG 30 2.443 -1.824 -12.942 796 HD2 ARG 30 2HD ARG 30 4.536 -2.476 -11.786 797 HD3 ARG 30 3HD ARG 30 3.661 -3.779 -10.965 798 HE ARG 30 HE ARG 30 3.137 -4.401 -13.487 799 HH11 ARG 30 1HH1 ARG 30 6.237 -3.488 -12.076 800 HH12 ARG 30 2HH1 ARG 30 7.160 -4.419 -13.216 801 HH21 ARG 30 1HH2 ARG 30 4.346 -5.596 -14.958 802 HH22 ARG 30 2HH2 ARG 30 6.082 -5.615 -14.857 803 H THR 31 H THR 31 -0.307 -2.028 -9.197 804 HA THR 31 HA THR 31 -1.644 -3.884 -10.922 805 HB THR 31 HB THR 31 -0.572 -4.519 -8.704 806 HG1 THR 31 HG1 THR 31 -3.251 -5.296 -9.302 807 HG21 THR 31 1HG2 THR 31 -3.171 -3.478 -7.521 808 HG22 THR 31 2HG2 THR 31 -1.583 -2.768 -7.257 809 HG23 THR 31 3HG2 THR 31 -1.934 -4.392 -6.667 810 H LEU 32 H LEU 32 -2.635 -1.033 -9.091 811 HA LEU 32 HA LEU 32 -5.459 -1.351 -9.492 812 HB2 LEU 32 2HB LEU 32 -4.430 0.149 -7.782 813 HB3 LEU 32 3HB LEU 32 -3.861 1.215 -9.047 814 HG LEU 32 HG LEU 32 -6.850 0.710 -8.721 815 HD11 LEU 32 1HD1 LEU 32 -7.027 2.637 -7.199 816 HD12 LEU 32 2HD1 LEU 32 -5.268 2.768 -7.134 817 HD13 LEU 32 3HD1 LEU 32 -6.074 1.341 -6.479 818 HD21 LEU 32 1HD2 LEU 32 -7.068 2.976 -9.653 819 HD22 LEU 32 2HD2 LEU 32 -6.143 1.935 -10.729 820 HD23 LEU 32 3HD2 LEU 32 -5.309 3.127 -9.732 821 H ALA 33 H ALA 33 -2.828 0.121 -11.354 822 HA ALA 33 HA ALA 33 -4.283 1.462 -13.338 823 HB1 ALA 33 1HB ALA 33 -1.573 0.107 -13.600 824 HB2 ALA 33 2HB ALA 33 -1.855 1.744 -12.989 825 HB3 ALA 33 3HB ALA 33 -2.222 1.358 -14.671 826 H ARG 34 H ARG 34 -2.869 -1.815 -13.397 827 HA ARG 34 HA ARG 34 -4.020 -2.621 -15.873 828 HB2 ARG 34 2HB ARG 34 -3.180 -4.851 -15.364 829 HB3 ARG 34 3HB ARG 34 -1.965 -3.650 -14.943 830 HG2 ARG 34 2HG ARG 34 -2.725 -3.831 -12.549 831 HG3 ARG 34 3HG ARG 34 -3.760 -5.171 -13.035 832 HD2 ARG 34 2HD ARG 34 -0.737 -5.083 -13.272 833 HD3 ARG 34 3HD ARG 34 -1.658 -5.960 -12.045 834 HE ARG 34 HE ARG 34 -2.208 -6.639 -14.837 835 HH11 ARG 34 1HH1 ARG 34 -0.511 -7.548 -11.880 836 HH12 ARG 34 2HH1 ARG 34 -0.276 -9.190 -12.389 837 HH21 ARG 34 1HH2 ARG 34 -1.901 -8.783 -15.467 838 HH22 ARG 34 2HH2 ARG 34 -1.062 -9.886 -14.422 839 H LEU 35 H LEU 35 -5.129 -2.862 -12.498 840 HA LEU 35 HA LEU 35 -7.359 -4.541 -12.776 841 HB2 LEU 35 2HB LEU 35 -6.524 -3.697 -10.597 842 HB3 LEU 35 3HB LEU 35 -7.065 -2.082 -10.980 843 HG LEU 35 HG LEU 35 -9.101 -4.344 -10.770 844 HD11 LEU 35 1HD1 LEU 35 -9.436 -3.875 -8.389 845 HD12 LEU 35 2HD1 LEU 35 -8.071 -2.754 -8.397 846 HD13 LEU 35 3HD1 LEU 35 -7.807 -4.473 -8.693 847 HD21 LEU 35 1HD2 LEU 35 -9.937 -2.201 -11.639 848 HD22 LEU 35 2HD2 LEU 35 -9.354 -1.366 -10.199 849 HD23 LEU 35 3HD2 LEU 35 -10.648 -2.561 -10.069 850 H GLN 36 H GLN 36 -7.093 -1.012 -13.239 851 HA GLN 36 HA GLN 36 -9.799 -0.566 -13.934 852 HB2 GLN 36 2HB GLN 36 -7.369 1.139 -14.632 853 HB3 GLN 36 3HB GLN 36 -9.051 1.657 -14.752 854 HG2 GLN 36 2HG GLN 36 -7.530 0.986 -12.221 855 HG3 GLN 36 3HG GLN 36 -8.060 2.578 -12.747 856 HE21 GLN 36 1HE2 GLN 36 -8.617 1.048 -10.263 857 HE22 GLN 36 2HE2 GLN 36 -10.338 0.957 -10.141 858 H ARG 37 H ARG 37 -6.869 -1.129 -15.887 859 HA ARG 37 HA ARG 37 -8.068 -0.743 -18.431 860 HB2 ARG 37 2HB ARG 37 -5.592 -2.355 -17.673 861 HB3 ARG 37 3HB ARG 37 -6.055 -1.971 -19.330 862 HG2 ARG 37 2HG ARG 37 -5.255 0.000 -17.167 863 HG3 ARG 37 3HG ARG 37 -4.327 -0.431 -18.602 864 HD2 ARG 37 2HD ARG 37 -6.055 0.592 -20.036 865 HD3 ARG 37 3HD ARG 37 -7.017 0.985 -18.607 866 HE ARG 37 HE ARG 37 -4.379 2.106 -18.513 867 HH11 ARG 37 1HH1 ARG 37 -7.616 2.620 -19.808 868 HH12 ARG 37 2HH1 ARG 37 -7.417 4.341 -19.936 869 HH21 ARG 37 1HH2 ARG 37 -4.147 4.358 -18.668 870 HH22 ARG 37 2HH2 ARG 37 -5.454 5.323 -19.286 871 H ALA 38 H ALA 38 -7.878 -3.526 -16.324 872 HA ALA 38 HA ALA 38 -8.718 -5.527 -18.185 873 HB1 ALA 38 1HB ALA 38 -8.832 -5.514 -15.144 874 HB2 ALA 38 2HB ALA 38 -7.479 -6.072 -16.129 875 HB3 ALA 38 3HB ALA 38 -9.015 -6.935 -16.179 876 H LYS 39 H LYS 39 -10.419 -3.686 -15.645 877 HA LYS 39 HA LYS 39 -12.971 -4.940 -16.112 878 HB2 LYS 39 2HB LYS 39 -13.820 -3.461 -14.353 879 HB3 LYS 39 3HB LYS 39 -12.288 -4.167 -13.857 880 HG2 LYS 39 2HG LYS 39 -11.110 -2.099 -14.270 881 HG3 LYS 39 3HG LYS 39 -12.530 -1.369 -15.009 882 HD2 LYS 39 2HD LYS 39 -12.302 -2.184 -12.082 883 HD3 LYS 39 3HD LYS 39 -12.121 -0.542 -12.703 884 HE2 LYS 39 2HE LYS 39 -14.468 -0.651 -13.562 885 HE3 LYS 39 3HE LYS 39 -14.632 -2.244 -12.817 886 HZ1 LYS 39 1HZ LYS 39 -14.093 0.311 -11.396 887 HZ2 LYS 39 2HZ LYS 39 -14.169 -1.206 -10.654 888 HZ3 LYS 39 3HZ LYS 39 -15.546 -0.553 -11.386 889 H ARG 40 H ARG 40 -11.457 -1.956 -17.207 890 HA ARG 40 HA ARG 40 -13.934 -0.805 -18.191 891 HB2 ARG 40 2HB ARG 40 -11.063 0.141 -18.466 892 HB3 ARG 40 3HB ARG 40 -12.444 1.009 -19.124 893 HG2 ARG 40 2HG ARG 40 -12.067 0.401 -16.172 894 HG3 ARG 40 3HG ARG 40 -11.585 1.910 -16.945 895 HD2 ARG 40 2HD ARG 40 -13.679 2.322 -15.892 896 HD3 ARG 40 3HD ARG 40 -14.008 2.221 -17.621 897 HE ARG 40 HE ARG 40 -14.403 -0.300 -16.333 898 HH11 ARG 40 1HH1 ARG 40 -15.966 2.841 -16.775 899 HH12 ARG 40 2HH1 ARG 40 -17.562 2.203 -16.534 900 HH21 ARG 40 1HH2 ARG 40 -16.539 -1.107 -16.037 901 HH22 ARG 40 2HH2 ARG 40 -17.883 -0.011 -16.123 902 H ALA 41 H ALA 41 -11.385 -2.806 -19.493 903 HA ALA 41 HA ALA 41 -12.137 -2.360 -22.277 904 HB1 ALA 41 1HB ALA 41 -10.499 -4.145 -22.766 905 HB2 ALA 41 2HB ALA 41 -10.286 -4.434 -21.037 906 HB3 ALA 41 3HB ALA 41 -9.805 -2.888 -21.738 907 H GLU 42 H GLU 42 -12.298 -5.097 -19.944 908 HA GLU 42 HA GLU 42 -13.360 -7.111 -19.931 909 HB2 GLU 42 2HB GLU 42 -15.626 -5.383 -21.003 910 HB3 GLU 42 3HB GLU 42 -15.843 -7.036 -20.430 911 HG2 GLU 42 2HG GLU 42 -15.111 -6.391 -18.186 912 HG3 GLU 42 3HG GLU 42 -14.795 -4.749 -18.740 913 H LYS 43 H LYS 43 -11.847 -6.464 -22.272 914 HA LYS 43 HA LYS 43 -12.969 -7.030 -24.744 915 HB2 LYS 43 2HB LYS 43 -10.702 -7.165 -25.590 916 HB3 LYS 43 3HB LYS 43 -10.764 -5.910 -24.369 917 HG2 LYS 43 2HG LYS 43 -9.695 -8.708 -23.867 918 HG3 LYS 43 3HG LYS 43 -8.686 -7.335 -24.312 919 HD2 LYS 43 2HD LYS 43 -9.381 -6.176 -22.210 920 HD3 LYS 43 3HD LYS 43 -10.361 -7.579 -21.780 921 HE2 LYS 43 2HE LYS 43 -8.261 -7.655 -20.560 922 HE3 LYS 43 3HE LYS 43 -8.295 -8.974 -21.727 923 HZ1 LYS 43 1HZ LYS 43 -6.907 -7.603 -23.194 924 HZ2 LYS 43 2HZ LYS 43 -6.156 -7.926 -21.716 925 HZ3 LYS 43 3HZ LYS 43 -6.833 -6.407 -22.004 926 H ALA 44 H ALA 44 -11.927 -9.257 -22.263 927 HA ALA 44 HA ALA 44 -11.508 -11.540 -23.947 928 HB1 ALA 44 1HB ALA 44 -11.333 -12.793 -21.847 929 HB2 ALA 44 2HB ALA 44 -11.919 -11.387 -20.952 930 HB3 ALA 44 3HB ALA 44 -10.374 -11.314 -21.796 931 H LYS 45 H LYS 45 -14.346 -10.082 -22.616 932 HA LYS 45 HA LYS 45 -16.043 -12.415 -22.797 933 HB2 LYS 45 2HB LYS 45 -16.682 -10.655 -21.256 934 HB3 LYS 45 3HB LYS 45 -16.626 -9.440 -22.526 935 HG2 LYS 45 2HG LYS 45 -18.616 -10.352 -23.580 936 HG3 LYS 45 3HG LYS 45 -18.622 -11.729 -22.474 937 HD2 LYS 45 2HD LYS 45 -20.307 -9.926 -21.941 938 HD3 LYS 45 3HD LYS 45 -19.235 -10.338 -20.601 939 HE2 LYS 45 2HE LYS 45 -19.571 -7.911 -20.742 940 HE3 LYS 45 3HE LYS 45 -17.886 -8.304 -21.070 941 HZ1 LYS 45 1HZ LYS 45 -18.317 -8.008 -23.424 942 HZ2 LYS 45 2HZ LYS 45 -18.785 -6.627 -22.573 943 HZ3 LYS 45 3HZ LYS 45 -19.953 -7.709 -23.121 944 H ASN 46 H ASN 46 -16.226 -9.312 -24.615 945 HA ASN 46 HA ASN 46 -17.201 -8.768 -26.559 946 HB2 ASN 46 2HB ASN 46 -14.901 -9.408 -27.259 947 HB3 ASN 46 3HB ASN 46 -15.459 -11.031 -27.620 948 HD21 ASN 46 1HD2 ASN 46 -15.630 -7.656 -28.616 949 HD22 ASN 46 2HD2 ASN 46 -16.227 -7.958 -30.211 950 H SER 47 H SER 47 -19.159 -9.675 -25.468 951 HA SER 47 HA SER 47 -21.234 -10.534 -25.602 952 HB2 SER 47 2HB SER 47 -21.205 -9.215 -27.680 953 HB3 SER 47 3HB SER 47 -20.573 -10.600 -28.572 954 HG SER 47 HG SER 47 -22.497 -11.569 -28.481 955 H LYS 48 H LYS 48 -20.781 -12.462 -24.413 956 HA LYS 48 HA LYS 48 -21.025 -14.968 -25.985 957 HB2 LYS 48 2HB LYS 48 -19.382 -14.577 -23.435 958 HB3 LYS 48 3HB LYS 48 -19.763 -16.147 -24.124 959 HG2 LYS 48 2HG LYS 48 -18.035 -13.996 -25.380 960 HG3 LYS 48 3HG LYS 48 -17.487 -15.520 -24.676 961 HD2 LYS 48 2HD LYS 48 -18.732 -16.761 -26.428 962 HD3 LYS 48 3HD LYS 48 -19.238 -15.229 -27.148 963 HE2 LYS 48 2HE LYS 48 -16.414 -16.309 -26.932 964 HE3 LYS 48 3HE LYS 48 -17.365 -16.098 -28.403 965 HZ1 LYS 48 1HZ LYS 48 -17.328 -13.685 -27.988 966 HZ2 LYS 48 2HZ LYS 48 -15.779 -14.333 -28.185 967 HZ3 LYS 48 3HZ LYS 48 -16.335 -13.940 -26.640 968 H LYS 49 H LYS 49 -22.633 -16.304 -25.358 969 HA LYS 49 HA LYS 49 -24.337 -15.762 -23.093 970 HB2 LYS 49 2HB LYS 49 -24.685 -17.248 -25.421 971 HB3 LYS 49 3HB LYS 49 -24.346 -18.541 -24.282 972 HG2 LYS 49 2HG LYS 49 -26.592 -16.506 -24.101 973 HG3 LYS 49 3HG LYS 49 -26.753 -18.203 -24.524 974 HD2 LYS 49 2HD LYS 49 -25.814 -17.200 -21.811 975 HD3 LYS 49 3HD LYS 49 -27.478 -17.638 -22.190 976 HE2 LYS 49 2HE LYS 49 -26.826 -19.949 -22.605 977 HE3 LYS 49 3HE LYS 49 -25.121 -19.543 -22.374 978 HZ1 LYS 49 1HZ LYS 49 -25.539 -19.042 -20.078 979 HZ2 LYS 49 2HZ LYS 49 -26.170 -20.573 -20.409 980 HZ3 LYS 49 3HZ LYS 49 -27.209 -19.251 -20.266 981 H ALA 50 H ALA 50 -23.722 -16.248 -21.031 982 HA ALA 50 HA ALA 50 -21.194 -17.248 -20.367 983 HB1 ALA 50 1HB ALA 50 -22.481 -15.695 -18.935 984 HB2 ALA 50 2HB ALA 50 -21.960 -17.116 -18.028 985 HB3 ALA 50 3HB ALA 50 -23.633 -16.981 -18.569 986 H ILE 51 H ILE 51 -20.437 -19.234 -19.727 987 HA ILE 51 HA ILE 51 -21.905 -21.599 -20.429 988 HB ILE 51 HB ILE 51 -19.929 -22.868 -19.458 989 HG12 ILE 51 2HG1 ILE 51 -17.803 -21.346 -19.100 990 HG13 ILE 51 3HG1 ILE 51 -18.948 -20.056 -18.773 991 HG21 ILE 51 1HG2 ILE 51 -19.297 -20.693 -21.489 992 HG22 ILE 51 2HG2 ILE 51 -20.051 -22.255 -21.829 993 HG23 ILE 51 3HG2 ILE 51 -18.383 -22.186 -21.262 994 HD11 ILE 51 1HD1 ILE 51 -18.037 -21.073 -16.743 995 HD12 ILE 51 2HD1 ILE 51 -18.714 -22.631 -17.209 996 HD13 ILE 51 3HD1 ILE 51 -19.785 -21.278 -16.837 997 H GLU 52 H GLU 52 -21.618 -19.730 -17.577 998 HA GLU 52 HA GLU 52 -22.821 -21.692 -15.783 999 HB2 GLU 52 2HB GLU 52 -22.683 -19.917 -14.093 1000 HB3 GLU 52 3HB GLU 52 -21.143 -20.066 -14.932 1001 HG2 GLU 52 2HG GLU 52 -21.693 -18.082 -16.307 1002 HG3 GLU 52 3HG GLU 52 -23.237 -17.934 -15.477 1003 H ASP 53 H ASP 53 -24.748 -20.895 -14.483 1004 HA ASP 53 HA ASP 53 -26.612 -19.052 -15.692 1005 HB2 ASP 53 2HB ASP 53 -27.143 -21.051 -17.031 1006 HB3 ASP 53 3HB ASP 53 -27.286 -22.031 -15.577 1007 H GLY 54 H GLY 54 -28.395 -18.622 -14.288 1008 HA2 GLY 54 2HA GLY 54 -28.248 -19.719 -11.544 1009 HA3 GLY 54 3HA GLY 54 -28.277 -17.981 -11.813 1010 H VAL 55 H VAL 55 -30.068 -20.925 -12.767 1011 HA VAL 55 HA VAL 55 -32.589 -19.793 -13.191 1012 HB VAL 55 HB VAL 55 -32.058 -22.137 -13.789 1013 HG11 VAL 55 1HG1 VAL 55 -32.000 -23.962 -12.146 1014 HG12 VAL 55 2HG1 VAL 55 -32.130 -22.798 -10.826 1015 HG13 VAL 55 3HG1 VAL 55 -30.701 -22.800 -11.860 1016 HG21 VAL 55 1HG2 VAL 55 -34.441 -21.978 -11.903 1017 HG22 VAL 55 2HG2 VAL 55 -34.184 -23.228 -13.123 1018 HG23 VAL 55 3HG2 VAL 55 -34.428 -21.553 -13.616 1019 HA PRO 56 HA PRO 56 -33.599 -18.640 -8.902 1020 HB2 PRO 56 2HB PRO 56 -36.325 -17.914 -9.736 1021 HB3 PRO 56 3HB PRO 56 -34.989 -16.840 -9.285 1022 HG2 PRO 56 2HG PRO 56 -35.979 -17.019 -11.824 1023 HG3 PRO 56 3HG PRO 56 -34.309 -16.534 -11.455 1024 HD2 PRO 56 2HD PRO 56 -35.343 -19.227 -12.360 1025 HD3 PRO 56 3HD PRO 56 -33.874 -18.348 -12.856 1026 H GLN 57 H GLN 57 -35.721 -18.966 -7.516 1027 HA GLN 57 HA GLN 57 -35.912 -21.757 -7.078 1028 HB2 GLN 57 2HB GLN 57 -37.343 -21.250 -5.182 1029 HB3 GLN 57 3HB GLN 57 -36.017 -20.104 -5.224 1030 HG2 GLN 57 2HG GLN 57 -38.817 -19.503 -6.188 1031 HG3 GLN 57 3HG GLN 57 -38.206 -19.116 -4.574 1032 HE21 GLN 57 1HE2 GLN 57 -36.681 -17.439 -4.362 1033 HE22 GLN 57 2HE2 GLN 57 -36.440 -16.263 -5.605 1034 HA PRO 58 HA PRO 58 -39.058 -22.934 -9.963 1035 HB2 PRO 58 2HB PRO 58 -40.148 -25.165 -8.728 1036 HB3 PRO 58 3HB PRO 58 -38.545 -25.145 -9.490 1037 HG2 PRO 58 2HG PRO 58 -39.237 -24.751 -6.584 1038 HG3 PRO 58 3HG PRO 58 -38.010 -25.832 -7.314 1039 HD2 PRO 58 2HD PRO 58 -37.266 -23.486 -6.299 1040 HD3 PRO 58 3HD PRO 58 -36.566 -24.041 -7.836 1041 H GLU 59 H GLU 59 -40.319 -22.985 -6.604 1042 HA GLU 59 HA GLU 59 -43.069 -22.596 -7.532 1043 HB2 GLU 59 2HB GLU 59 -42.007 -22.908 -4.685 1044 HB3 GLU 59 3HB GLU 59 -43.701 -22.940 -5.177 1045 HG2 GLU 59 2HG GLU 59 -43.214 -24.975 -6.546 1046 HG3 GLU 59 3HG GLU 59 -41.569 -24.956 -5.920 1047 H ALA 60 H ALA 60 -40.841 -21.021 -5.228 1048 HA ALA 60 HA ALA 60 -40.596 -18.924 -4.422 1049 HB1 ALA 60 1HB ALA 60 -40.528 -18.193 -6.769 1050 HB2 ALA 60 2HB ALA 60 -41.263 -16.968 -5.735 1051 HB3 ALA 60 3HB ALA 60 -42.280 -17.979 -6.762 1052 H LEU 61 H LEU 61 -43.144 -20.629 -3.898 1053 HA LEU 61 HA LEU 61 -44.930 -18.668 -2.679 1054 HB2 LEU 61 2HB LEU 61 -44.977 -21.700 -2.885 1055 HB3 LEU 61 3HB LEU 61 -46.015 -20.874 -1.737 1056 HG LEU 61 HG LEU 61 -47.049 -19.602 -3.674 1057 HD11 LEU 61 1HD1 LEU 61 -46.808 -20.459 -5.944 1058 HD12 LEU 61 2HD1 LEU 61 -45.551 -21.578 -5.412 1059 HD13 LEU 61 3HD1 LEU 61 -45.276 -19.835 -5.336 1060 HD21 LEU 61 1HD2 LEU 61 -48.490 -21.458 -4.388 1061 HD22 LEU 61 2HD2 LEU 61 -48.179 -21.524 -2.657 1062 HD23 LEU 61 3HD2 LEU 61 -47.330 -22.625 -3.746 1063 H GLU 62 H GLU 62 -45.613 -19.157 -0.340 1064 HA GLU 62 HA GLU 62 -43.634 -20.292 1.431 1065 HB2 GLU 62 2HB GLU 62 -43.460 -18.158 2.838 1066 HB3 GLU 62 3HB GLU 62 -42.570 -18.163 1.324 1067 HG2 GLU 62 2HG GLU 62 -44.286 -16.760 0.280 1068 HG3 GLU 62 3HG GLU 62 -45.236 -16.797 1.764 Start of MODEL 11 1 H1 MET 1 1H MET 1 -14.389 -22.473 -24.647 2 H2 MET 1 2H MET 1 -13.517 -23.612 -23.755 3 H3 MET 1 3H MET 1 -13.192 -23.399 -25.394 4 HA MET 1 HA MET 1 -12.359 -21.209 -25.033 5 HB2 MET 1 2HB MET 1 -12.974 -21.744 -22.090 6 HB3 MET 1 3HB MET 1 -12.049 -20.370 -22.682 7 HG2 MET 1 2HG MET 1 -14.029 -19.574 -23.913 8 HG3 MET 1 3HG MET 1 -14.947 -20.950 -23.315 9 HE1 MET 1 1HE MET 1 -13.105 -17.619 -22.367 10 HE2 MET 1 2HE MET 1 -12.327 -18.758 -21.267 11 HE3 MET 1 3HE MET 1 -13.401 -17.514 -20.631 12 H GLU 2 H GLU 2 -10.610 -22.250 -25.900 13 HA GLU 2 HA GLU 2 -8.551 -23.162 -23.997 14 HB2 GLU 2 2HB GLU 2 -7.920 -25.078 -25.316 15 HB3 GLU 2 3HB GLU 2 -9.636 -25.200 -24.982 16 HG2 GLU 2 2HG GLU 2 -8.415 -24.315 -27.612 17 HG3 GLU 2 3HG GLU 2 -9.041 -25.921 -27.266 18 H GLU 3 H GLU 3 -9.433 -21.201 -26.591 19 HA GLU 3 HA GLU 3 -6.908 -20.940 -27.927 20 HB2 GLU 3 2HB GLU 3 -9.294 -19.030 -27.894 21 HB3 GLU 3 3HB GLU 3 -7.928 -18.945 -29.003 22 HG2 GLU 3 2HG GLU 3 -8.560 -21.118 -29.967 23 HG3 GLU 3 3HG GLU 3 -9.916 -21.230 -28.846 24 H LEU 4 H LEU 4 -5.211 -19.609 -27.441 25 HA LEU 4 HA LEU 4 -5.095 -18.158 -24.974 26 HB2 LEU 4 2HB LEU 4 -3.210 -18.107 -27.364 27 HB3 LEU 4 3HB LEU 4 -2.866 -17.366 -25.805 28 HG LEU 4 HG LEU 4 -3.250 -20.347 -26.293 29 HD11 LEU 4 1HD1 LEU 4 -0.864 -20.561 -25.875 30 HD12 LEU 4 2HD1 LEU 4 -0.709 -18.812 -25.690 31 HD13 LEU 4 3HD1 LEU 4 -1.158 -19.501 -27.253 32 HD21 LEU 4 1HD2 LEU 4 -2.500 -20.648 -23.972 33 HD22 LEU 4 2HD2 LEU 4 -3.999 -19.727 -24.048 34 HD23 LEU 4 3HD2 LEU 4 -2.470 -18.898 -23.739 35 H SER 5 H SER 5 -5.964 -16.243 -24.624 36 HA SER 5 HA SER 5 -6.034 -14.093 -26.564 37 HB2 SER 5 2HB SER 5 -8.616 -13.924 -26.324 38 HB3 SER 5 3HB SER 5 -8.005 -15.212 -27.361 39 HG SER 5 HG SER 5 -8.305 -16.673 -25.682 40 H GLY 6 H GLY 6 -7.179 -12.153 -25.531 41 HA2 GLY 6 2HA GLY 6 -5.939 -11.718 -22.957 42 HA3 GLY 6 3HA GLY 6 -6.742 -10.529 -23.965 43 H LYS 7 H LYS 7 -7.674 -13.472 -22.180 44 HA LYS 7 HA LYS 7 -10.193 -12.474 -21.277 45 HB2 LYS 7 2HB LYS 7 -8.544 -14.950 -20.802 46 HB3 LYS 7 3HB LYS 7 -9.696 -14.536 -19.538 47 HG2 LYS 7 2HG LYS 7 -10.659 -16.131 -21.128 48 HG3 LYS 7 3HG LYS 7 -11.544 -14.605 -21.129 49 HD2 LYS 7 2HD LYS 7 -10.247 -13.951 -23.205 50 HD3 LYS 7 3HD LYS 7 -9.564 -15.579 -23.227 51 HE2 LYS 7 2HE LYS 7 -11.868 -16.508 -23.431 52 HE3 LYS 7 3HE LYS 7 -12.511 -14.864 -23.455 53 HZ1 LYS 7 1HZ LYS 7 -10.670 -16.053 -25.461 54 HZ2 LYS 7 2HZ LYS 7 -11.205 -14.451 -25.469 55 HZ3 LYS 7 3HZ LYS 7 -12.306 -15.709 -25.683 56 HA PRO 8 HA PRO 8 -8.640 -10.139 -17.818 57 HB2 PRO 8 2HB PRO 8 -10.967 -9.691 -16.437 58 HB3 PRO 8 3HB PRO 8 -10.635 -8.945 -18.011 59 HG2 PRO 8 2HG PRO 8 -12.527 -11.103 -17.346 60 HG3 PRO 8 3HG PRO 8 -12.519 -9.995 -18.732 61 HD2 PRO 8 2HD PRO 8 -11.592 -12.729 -18.658 62 HD3 PRO 8 3HD PRO 8 -11.590 -11.611 -20.034 63 H LEU 9 H LEU 9 -8.765 -10.082 -15.338 64 HA LEU 9 HA LEU 9 -8.114 -12.594 -14.192 65 HB2 LEU 9 2HB LEU 9 -8.301 -11.220 -11.970 66 HB3 LEU 9 3HB LEU 9 -7.034 -10.850 -13.119 67 HG LEU 9 HG LEU 9 -8.400 -8.886 -13.937 68 HD11 LEU 9 1HD1 LEU 9 -10.644 -9.559 -13.281 69 HD12 LEU 9 2HD1 LEU 9 -10.230 -8.004 -12.561 70 HD13 LEU 9 3HD1 LEU 9 -10.201 -9.470 -11.575 71 HD21 LEU 9 1HD2 LEU 9 -7.888 -7.428 -12.023 72 HD22 LEU 9 2HD2 LEU 9 -6.576 -8.559 -12.347 73 HD23 LEU 9 3HD2 LEU 9 -7.672 -8.848 -10.992 74 H SER 10 H SER 10 -9.216 -13.664 -12.422 75 HA SER 10 HA SER 10 -11.993 -14.172 -12.947 76 HB2 SER 10 2HB SER 10 -10.173 -15.213 -10.719 77 HB3 SER 10 3HB SER 10 -11.749 -15.885 -11.157 78 HG SER 10 HG SER 10 -9.316 -15.960 -12.572 79 H TYR 11 H TYR 11 -13.518 -14.356 -11.016 80 HA TYR 11 HA TYR 11 -14.096 -11.865 -9.885 81 HB2 TYR 11 2HB TYR 11 -15.853 -13.551 -10.172 82 HB3 TYR 11 3HB TYR 11 -15.037 -14.658 -9.077 83 HD1 TYR 11 HD1 TYR 11 -16.911 -11.415 -9.217 84 HD2 TYR 11 HD2 TYR 11 -15.407 -14.526 -6.699 85 HE1 TYR 11 HE1 TYR 11 -18.177 -10.498 -7.315 86 HE2 TYR 11 HE2 TYR 11 -16.667 -13.605 -4.806 87 HH TYR 11 HH TYR 11 -19.070 -11.300 -5.108 88 H ALA 12 H ALA 12 -12.674 -14.783 -8.434 89 HA ALA 12 HA ALA 12 -12.211 -13.804 -5.840 90 HB1 ALA 12 1HB ALA 12 -10.730 -15.749 -5.590 91 HB2 ALA 12 2HB ALA 12 -10.740 -15.991 -7.340 92 HB3 ALA 12 3HB ALA 12 -12.226 -16.189 -6.409 93 H GLU 13 H GLU 13 -10.244 -13.615 -8.780 94 HA GLU 13 HA GLU 13 -7.852 -12.644 -7.550 95 HB2 GLU 13 2HB GLU 13 -8.774 -12.418 -10.449 96 HB3 GLU 13 3HB GLU 13 -7.156 -12.024 -9.869 97 HG2 GLU 13 2HG GLU 13 -6.946 -14.428 -9.095 98 HG3 GLU 13 3HG GLU 13 -8.477 -14.747 -9.903 99 H LYS 14 H LYS 14 -10.667 -11.107 -9.054 100 HA LYS 14 HA LYS 14 -9.801 -8.415 -8.907 101 HB2 LYS 14 2HB LYS 14 -11.648 -9.164 -10.365 102 HB3 LYS 14 3HB LYS 14 -12.629 -9.573 -8.973 103 HG2 LYS 14 2HG LYS 14 -11.678 -6.725 -9.263 104 HG3 LYS 14 3HG LYS 14 -12.968 -7.284 -10.323 105 HD2 LYS 14 2HD LYS 14 -13.072 -7.421 -7.275 106 HD3 LYS 14 3HD LYS 14 -13.779 -6.122 -8.246 107 HE2 LYS 14 2HE LYS 14 -15.177 -7.888 -9.412 108 HE3 LYS 14 3HE LYS 14 -14.582 -9.049 -8.224 109 HZ1 LYS 14 1HZ LYS 14 -15.559 -7.693 -6.475 110 HZ2 LYS 14 2HZ LYS 14 -16.740 -8.149 -7.591 111 HZ3 LYS 14 3HZ LYS 14 -16.110 -6.573 -7.604 112 H GLU 15 H GLU 15 -11.556 -10.512 -6.667 113 HA GLU 15 HA GLU 15 -12.311 -8.544 -4.763 114 HB2 GLU 15 2HB GLU 15 -12.020 -11.562 -4.563 115 HB3 GLU 15 3HB GLU 15 -12.693 -10.569 -3.278 116 HG2 GLU 15 2HG GLU 15 -13.828 -10.626 -6.067 117 HG3 GLU 15 3HG GLU 15 -14.332 -11.747 -4.808 118 H LYS 16 H LYS 16 -9.671 -10.958 -4.793 119 HA LYS 16 HA LYS 16 -8.452 -10.077 -2.392 120 HB2 LYS 16 2HB LYS 16 -6.537 -11.420 -2.932 121 HB3 LYS 16 3HB LYS 16 -7.970 -12.297 -3.452 122 HG2 LYS 16 2HG LYS 16 -7.531 -11.628 -5.796 123 HG3 LYS 16 3HG LYS 16 -6.104 -10.735 -5.269 124 HD2 LYS 16 2HD LYS 16 -5.419 -12.890 -6.189 125 HD3 LYS 16 3HD LYS 16 -5.085 -12.862 -4.458 126 HE2 LYS 16 2HE LYS 16 -7.232 -14.133 -4.101 127 HE3 LYS 16 3HE LYS 16 -7.392 -14.255 -5.853 128 HZ1 LYS 16 1HZ LYS 16 -5.322 -15.483 -5.943 129 HZ2 LYS 16 2HZ LYS 16 -6.387 -16.241 -4.872 130 HZ3 LYS 16 3HZ LYS 16 -5.101 -15.321 -4.273 131 H LEU 17 H LEU 17 -8.232 -8.906 -5.694 132 HA LEU 17 HA LEU 17 -5.872 -7.324 -5.319 133 HB2 LEU 17 2HB LEU 17 -7.085 -8.246 -7.538 134 HB3 LEU 17 3HB LEU 17 -7.843 -6.670 -7.516 135 HG LEU 17 HG LEU 17 -5.804 -6.810 -8.982 136 HD11 LEU 17 1HD1 LEU 17 -5.492 -4.845 -6.681 137 HD12 LEU 17 2HD1 LEU 17 -6.488 -4.610 -8.121 138 HD13 LEU 17 3HD1 LEU 17 -4.737 -4.717 -8.277 139 HD21 LEU 17 1HD2 LEU 17 -3.571 -6.986 -7.994 140 HD22 LEU 17 2HD2 LEU 17 -4.518 -8.412 -7.585 141 HD23 LEU 17 3HD2 LEU 17 -4.260 -7.148 -6.375 142 H LYS 18 H LYS 18 -9.373 -6.533 -5.365 143 HA LYS 18 HA LYS 18 -8.967 -3.731 -5.025 144 HB2 LYS 18 2HB LYS 18 -11.410 -3.571 -4.708 145 HB3 LYS 18 3HB LYS 18 -10.994 -4.532 -6.113 146 HG2 LYS 18 2HG LYS 18 -12.770 -5.728 -5.212 147 HG3 LYS 18 3HG LYS 18 -11.378 -6.586 -4.556 148 HD2 LYS 18 2HD LYS 18 -11.659 -5.254 -2.425 149 HD3 LYS 18 3HD LYS 18 -13.134 -4.566 -3.102 150 HE2 LYS 18 2HE LYS 18 -14.163 -6.785 -3.183 151 HE3 LYS 18 3HE LYS 18 -12.661 -7.528 -2.626 152 HZ1 LYS 18 1HZ LYS 18 -14.348 -5.631 -1.075 153 HZ2 LYS 18 2HZ LYS 18 -12.879 -6.270 -0.546 154 HZ3 LYS 18 3HZ LYS 18 -14.199 -7.293 -0.803 155 H GLU 19 H GLU 19 -9.437 -6.428 -2.773 156 HA GLU 19 HA GLU 19 -9.651 -4.744 -0.438 157 HB2 GLU 19 2HB GLU 19 -9.742 -6.711 0.869 158 HB3 GLU 19 3HB GLU 19 -10.551 -7.145 -0.629 159 HG2 GLU 19 2HG GLU 19 -8.574 -8.341 -1.401 160 HG3 GLU 19 3HG GLU 19 -7.674 -7.839 0.025 161 H LYS 20 H LYS 20 -7.025 -6.309 -2.227 162 HA LYS 20 HA LYS 20 -4.895 -5.807 -0.482 163 HB2 LYS 20 2HB LYS 20 -4.101 -7.044 -2.249 164 HB3 LYS 20 3HB LYS 20 -5.143 -6.259 -3.422 165 HG2 LYS 20 2HG LYS 20 -3.629 -4.468 -3.771 166 HG3 LYS 20 3HG LYS 20 -2.737 -4.808 -2.284 167 HD2 LYS 20 2HD LYS 20 -2.757 -6.614 -4.735 168 HD3 LYS 20 3HD LYS 20 -1.495 -5.436 -4.363 169 HE2 LYS 20 2HE LYS 20 -1.168 -6.685 -2.148 170 HE3 LYS 20 3HE LYS 20 -2.202 -7.950 -2.821 171 HZ1 LYS 20 1HZ LYS 20 -0.615 -8.151 -4.676 172 HZ2 LYS 20 2HZ LYS 20 0.099 -8.488 -3.182 173 HZ3 LYS 20 3HZ LYS 20 0.387 -7.004 -3.937 174 H LEU 21 H LEU 21 -6.368 -3.755 -2.968 175 HA LEU 21 HA LEU 21 -4.732 -1.496 -2.740 176 HB2 LEU 21 2HB LEU 21 -7.682 -1.571 -3.508 177 HB3 LEU 21 3HB LEU 21 -6.561 -0.263 -3.863 178 HG LEU 21 HG LEU 21 -6.442 -3.073 -5.016 179 HD11 LEU 21 1HD1 LEU 21 -7.147 -0.459 -6.360 180 HD12 LEU 21 2HD1 LEU 21 -8.263 -1.769 -5.960 181 HD13 LEU 21 3HD1 LEU 21 -6.991 -2.031 -7.149 182 HD21 LEU 21 1HD2 LEU 21 -4.630 -0.722 -5.608 183 HD22 LEU 21 2HD2 LEU 21 -4.627 -2.279 -6.443 184 HD23 LEU 21 3HD2 LEU 21 -4.182 -2.194 -4.742 185 H ALA 22 H ALA 22 -7.819 -2.281 -1.138 186 HA ALA 22 HA ALA 22 -8.101 0.118 0.365 187 HB1 ALA 22 1HB ALA 22 -9.865 -1.105 1.587 188 HB2 ALA 22 2HB ALA 22 -9.309 -2.632 0.889 189 HB3 ALA 22 3HB ALA 22 -9.997 -1.382 -0.149 190 H PHE 23 H PHE 23 -6.543 -2.968 1.072 191 HA PHE 23 HA PHE 23 -6.283 -2.638 3.898 192 HB2 PHE 23 2HB PHE 23 -6.307 -4.867 2.881 193 HB3 PHE 23 3HB PHE 23 -4.856 -4.508 1.956 194 HD1 PHE 23 HD1 PHE 23 -6.094 -4.831 5.488 195 HD2 PHE 23 HD2 PHE 23 -2.748 -5.103 2.841 196 HE1 PHE 23 HE1 PHE 23 -4.723 -5.760 7.309 197 HE2 PHE 23 HE2 PHE 23 -1.385 -6.017 4.657 198 HZ PHE 23 HZ PHE 23 -2.366 -6.355 6.898 199 H LEU 24 H LEU 24 -3.885 -2.478 1.241 200 HA LEU 24 HA LEU 24 -1.798 -1.500 2.881 201 HB2 LEU 24 2HB LEU 24 -0.495 -1.175 0.863 202 HB3 LEU 24 3HB LEU 24 -1.306 -2.721 0.836 203 HG LEU 24 HG LEU 24 -3.036 -1.560 -0.751 204 HD11 LEU 24 1HD1 LEU 24 -0.731 0.383 -1.078 205 HD12 LEU 24 2HD1 LEU 24 -2.336 0.758 -0.448 206 HD13 LEU 24 3HD1 LEU 24 -2.148 0.272 -2.126 207 HD21 LEU 24 1HD2 LEU 24 -0.220 -2.134 -1.745 208 HD22 LEU 24 2HD2 LEU 24 -1.676 -2.072 -2.745 209 HD23 LEU 24 3HD2 LEU 24 -1.508 -3.319 -1.511 210 H LYS 25 H LYS 25 -4.354 0.091 1.090 211 HA LYS 25 HA LYS 25 -3.445 2.767 1.090 212 HB2 LYS 25 2HB LYS 25 -5.352 2.093 -0.256 213 HB3 LYS 25 3HB LYS 25 -6.253 1.583 1.163 214 HG2 LYS 25 2HG LYS 25 -6.358 3.987 1.884 215 HG3 LYS 25 3HG LYS 25 -5.582 4.439 0.364 216 HD2 LYS 25 2HD LYS 25 -8.267 3.040 0.677 217 HD3 LYS 25 3HD LYS 25 -8.028 4.728 0.229 218 HE2 LYS 25 2HE LYS 25 -7.193 2.309 -1.414 219 HE3 LYS 25 3HE LYS 25 -8.563 3.373 -1.742 220 HZ1 LYS 25 1HZ LYS 25 -6.748 4.006 -3.128 221 HZ2 LYS 25 2HZ LYS 25 -5.689 4.119 -1.818 222 HZ3 LYS 25 3HZ LYS 25 -6.965 5.218 -1.973 223 H LYS 26 H LYS 26 -5.579 1.063 3.410 224 HA LYS 26 HA LYS 26 -5.993 3.347 5.060 225 HB2 LYS 26 2HB LYS 26 -7.138 1.860 6.617 226 HB3 LYS 26 3HB LYS 26 -7.626 1.480 4.971 227 HG2 LYS 26 2HG LYS 26 -6.188 -0.503 4.964 228 HG3 LYS 26 3HG LYS 26 -5.592 -0.103 6.578 229 HD2 LYS 26 2HD LYS 26 -7.857 -0.436 7.513 230 HD3 LYS 26 3HD LYS 26 -8.483 -0.794 5.899 231 HE2 LYS 26 2HE LYS 26 -7.021 -2.787 5.770 232 HE3 LYS 26 3HE LYS 26 -6.381 -2.421 7.378 233 HZ1 LYS 26 1HZ LYS 26 -9.256 -2.935 6.835 234 HZ2 LYS 26 2HZ LYS 26 -8.503 -2.825 8.344 235 HZ3 LYS 26 3HZ LYS 26 -8.169 -4.130 7.326 236 H GLU 27 H GLU 27 -3.785 0.541 5.250 237 HA GLU 27 HA GLU 27 -2.719 1.229 7.806 238 HB2 GLU 27 2HB GLU 27 -1.078 -0.479 7.503 239 HB3 GLU 27 3HB GLU 27 -2.574 -1.083 6.804 240 HG2 GLU 27 2HG GLU 27 -1.756 -0.684 4.566 241 HG3 GLU 27 3HG GLU 27 -0.322 0.126 5.178 242 H TYR 28 H TYR 28 -1.805 1.990 4.477 243 HA TYR 28 HA TYR 28 0.670 3.238 4.823 244 HB2 TYR 28 2HB TYR 28 -0.188 2.758 2.591 245 HB3 TYR 28 3HB TYR 28 -1.575 3.806 2.831 246 HD1 TYR 28 HD1 TYR 28 2.156 3.842 2.473 247 HD2 TYR 28 HD2 TYR 28 -1.457 6.100 2.151 248 HE1 TYR 28 HE1 TYR 28 3.397 5.675 1.428 249 HE2 TYR 28 HE2 TYR 28 -0.209 7.937 1.098 250 HH TYR 28 HH TYR 28 2.077 8.777 1.007 251 H SER 29 H SER 29 -2.609 4.594 4.954 252 HA SER 29 HA SER 29 -1.874 7.283 5.378 253 HB2 SER 29 2HB SER 29 -4.111 6.608 4.563 254 HB3 SER 29 3HB SER 29 -4.469 5.863 6.123 255 HG SER 29 HG SER 29 -4.735 7.802 7.001 256 H ARG 30 H ARG 30 -2.757 4.676 7.663 257 HA ARG 30 HA ARG 30 -2.655 6.233 10.049 258 HB2 ARG 30 2HB ARG 30 -2.281 3.223 9.738 259 HB3 ARG 30 3HB ARG 30 -2.639 4.059 11.247 260 HG2 ARG 30 2HG ARG 30 -4.849 4.696 10.400 261 HG3 ARG 30 3HG ARG 30 -4.491 3.951 8.842 262 HD2 ARG 30 2HD ARG 30 -4.814 2.555 11.519 263 HD3 ARG 30 3HD ARG 30 -5.871 2.427 10.110 264 HE ARG 30 HE ARG 30 -3.102 1.563 9.748 265 HH11 ARG 30 1HH1 ARG 30 -6.418 0.512 10.401 266 HH12 ARG 30 2HH1 ARG 30 -6.098 -1.135 9.959 267 HH21 ARG 30 1HH2 ARG 30 -2.701 -0.594 9.240 268 HH22 ARG 30 2HH2 ARG 30 -3.985 -1.760 9.298 269 H THR 31 H THR 31 -0.269 4.178 8.421 270 HA THR 31 HA THR 31 1.604 4.300 10.599 271 HB THR 31 HB THR 31 1.290 2.239 9.147 272 HG1 THR 31 HG1 THR 31 3.825 3.388 9.693 273 HG21 THR 31 1HG2 THR 31 1.423 3.293 6.900 274 HG22 THR 31 2HG2 THR 31 2.632 2.027 7.107 275 HG23 THR 31 3HG2 THR 31 3.107 3.724 7.212 276 H LEU 32 H LEU 32 1.236 5.909 7.484 277 HA LEU 32 HA LEU 32 3.766 7.264 7.553 278 HB2 LEU 32 2HB LEU 32 2.461 6.951 5.460 279 HB3 LEU 32 3HB LEU 32 1.207 8.013 6.059 280 HG LEU 32 HG LEU 32 4.009 9.149 5.803 281 HD11 LEU 32 1HD1 LEU 32 3.732 7.974 3.668 282 HD12 LEU 32 2HD1 LEU 32 3.695 9.719 3.441 283 HD13 LEU 32 3HD1 LEU 32 2.191 8.792 3.397 284 HD21 LEU 32 1HD2 LEU 32 1.266 10.357 5.303 285 HD22 LEU 32 2HD2 LEU 32 2.805 11.218 5.191 286 HD23 LEU 32 3HD2 LEU 32 2.259 10.586 6.742 287 H ALA 33 H ALA 33 0.455 7.979 8.624 288 HA ALA 33 HA ALA 33 0.717 10.601 9.517 289 HB1 ALA 33 1HB ALA 33 -1.433 9.394 9.388 290 HB2 ALA 33 2HB ALA 33 -1.204 10.130 10.975 291 HB3 ALA 33 3HB ALA 33 -0.959 8.391 10.764 292 H ARG 34 H ARG 34 1.171 7.589 11.400 293 HA ARG 34 HA ARG 34 2.002 8.893 13.795 294 HB2 ARG 34 2HB ARG 34 2.393 6.682 14.693 295 HB3 ARG 34 3HB ARG 34 0.908 6.659 13.755 296 HG2 ARG 34 2HG ARG 34 2.243 5.639 11.851 297 HG3 ARG 34 3HG ARG 34 3.595 5.491 12.974 298 HD2 ARG 34 2HD ARG 34 0.868 4.175 13.247 299 HD3 ARG 34 3HD ARG 34 2.383 3.374 12.807 300 HE ARG 34 HE ARG 34 2.304 4.735 15.391 301 HH11 ARG 34 1HH1 ARG 34 2.133 1.630 13.714 302 HH12 ARG 34 2HH1 ARG 34 2.443 0.715 15.157 303 HH21 ARG 34 1HH2 ARG 34 2.683 3.517 17.254 304 HH22 ARG 34 2HH2 ARG 34 2.754 1.785 17.159 305 H LEU 35 H LEU 35 3.744 7.506 11.042 306 HA LEU 35 HA LEU 35 6.391 7.615 11.978 307 HB2 LEU 35 2HB LEU 35 5.799 6.545 9.833 308 HB3 LEU 35 3HB LEU 35 5.308 8.092 9.168 309 HG LEU 35 HG LEU 35 7.708 8.867 9.311 310 HD11 LEU 35 1HD1 LEU 35 8.533 7.415 11.078 311 HD12 LEU 35 2HD1 LEU 35 9.500 7.220 9.621 312 HD13 LEU 35 3HD1 LEU 35 8.308 5.992 10.059 313 HD21 LEU 35 1HD2 LEU 35 6.807 8.015 7.197 314 HD22 LEU 35 2HD2 LEU 35 7.274 6.371 7.639 315 HD23 LEU 35 3HD2 LEU 35 8.513 7.600 7.371 316 H GLN 36 H GLN 36 4.365 10.103 10.396 317 HA GLN 36 HA GLN 36 6.348 12.151 10.376 318 HB2 GLN 36 2HB GLN 36 3.319 12.423 10.146 319 HB3 GLN 36 3HB GLN 36 4.477 13.713 9.832 320 HG2 GLN 36 2HG GLN 36 4.126 11.154 8.257 321 HG3 GLN 36 3HG GLN 36 3.734 12.784 7.733 322 HE21 GLN 36 1HE2 GLN 36 5.510 10.726 6.556 323 HE22 GLN 36 2HE2 GLN 36 7.050 11.484 6.377 324 H ARG 37 H ARG 37 3.767 11.268 12.660 325 HA ARG 37 HA ARG 37 3.996 13.598 14.296 326 HB2 ARG 37 2HB ARG 37 2.843 10.851 14.938 327 HB3 ARG 37 3HB ARG 37 2.714 12.246 16.005 328 HG2 ARG 37 2HG ARG 37 1.537 11.995 13.223 329 HG3 ARG 37 3HG ARG 37 0.649 11.965 14.744 330 HD2 ARG 37 2HD ARG 37 1.263 14.312 15.167 331 HD3 ARG 37 3HD ARG 37 2.228 14.340 13.688 332 HE ARG 37 HE ARG 37 -0.583 13.674 13.354 333 HH11 ARG 37 1HH1 ARG 37 1.840 16.243 13.273 334 HH12 ARG 37 2HH1 ARG 37 0.851 17.292 12.300 335 HH21 ARG 37 1HH2 ARG 37 -1.851 15.068 12.085 336 HH22 ARG 37 2HH2 ARG 37 -1.233 16.627 11.633 337 H ALA 38 H ALA 38 5.745 10.574 14.210 338 HA ALA 38 HA ALA 38 7.223 10.988 16.645 339 HB1 ALA 38 1HB ALA 38 8.625 9.124 15.860 340 HB2 ALA 38 2HB ALA 38 7.865 9.203 14.267 341 HB3 ALA 38 3HB ALA 38 6.912 8.739 15.677 342 H LYS 39 H LYS 39 8.077 11.347 13.172 343 HA LYS 39 HA LYS 39 10.776 12.166 13.759 344 HB2 LYS 39 2HB LYS 39 11.113 12.196 11.348 345 HB3 LYS 39 3HB LYS 39 10.211 10.756 11.804 346 HG2 LYS 39 2HG LYS 39 8.120 11.782 11.025 347 HG3 LYS 39 3HG LYS 39 8.975 13.264 10.610 348 HD2 LYS 39 2HD LYS 39 9.489 10.541 9.340 349 HD3 LYS 39 3HD LYS 39 8.495 11.816 8.632 350 HE2 LYS 39 2HE LYS 39 10.493 13.307 8.592 351 HE3 LYS 39 3HE LYS 39 11.469 11.977 9.221 352 HZ1 LYS 39 1HZ LYS 39 10.874 10.694 7.232 353 HZ2 LYS 39 2HZ LYS 39 11.697 12.115 6.840 354 HZ3 LYS 39 3HZ LYS 39 10.023 12.018 6.622 355 H ARG 40 H ARG 40 7.846 13.926 12.959 356 HA ARG 40 HA ARG 40 9.230 16.407 12.330 357 HB2 ARG 40 2HB ARG 40 6.261 15.811 12.664 358 HB3 ARG 40 3HB ARG 40 6.905 17.393 12.238 359 HG2 ARG 40 2HG ARG 40 7.164 14.857 10.592 360 HG3 ARG 40 3HG ARG 40 6.100 16.224 10.256 361 HD2 ARG 40 2HD ARG 40 9.137 16.229 10.206 362 HD3 ARG 40 3HD ARG 40 8.045 16.365 8.822 363 HE ARG 40 HE ARG 40 7.340 18.448 10.439 364 HH11 ARG 40 1HH1 ARG 40 10.364 17.514 8.893 365 HH12 ARG 40 2HH1 ARG 40 10.935 19.147 8.783 366 HH21 ARG 40 1HH2 ARG 40 8.124 20.569 10.307 367 HH22 ARG 40 2HH2 ARG 40 9.673 20.868 9.582 368 H ALA 41 H ALA 41 7.134 15.232 14.976 369 HA ALA 41 HA ALA 41 7.264 17.600 16.550 370 HB1 ALA 41 1HB ALA 41 6.270 16.227 18.343 371 HB2 ALA 41 2HB ALA 41 6.582 14.762 17.408 372 HB3 ALA 41 3HB ALA 41 5.444 15.968 16.808 373 H GLU 42 H GLU 42 8.882 14.429 16.865 374 HA GLU 42 HA GLU 42 10.759 13.674 17.891 375 HB2 GLU 42 2HB GLU 42 11.746 16.530 17.473 376 HB3 GLU 42 3HB GLU 42 12.769 15.147 17.858 377 HG2 GLU 42 2HG GLU 42 12.227 14.085 15.742 378 HG3 GLU 42 3HG GLU 42 11.060 15.352 15.366 379 H LYS 43 H LYS 43 8.615 14.826 19.520 380 HA LYS 43 HA LYS 43 9.389 16.160 21.821 381 HB2 LYS 43 2HB LYS 43 7.381 15.281 22.882 382 HB3 LYS 43 3HB LYS 43 7.016 15.623 21.203 383 HG2 LYS 43 2HG LYS 43 7.602 12.846 22.283 384 HG3 LYS 43 3HG LYS 43 5.982 13.507 22.081 385 HD2 LYS 43 2HD LYS 43 6.269 13.601 19.656 386 HD3 LYS 43 3HD LYS 43 7.970 13.146 19.799 387 HE2 LYS 43 2HE LYS 43 6.622 11.228 19.075 388 HE3 LYS 43 3HE LYS 43 7.300 10.931 20.677 389 HZ1 LYS 43 1HZ LYS 43 5.172 11.485 21.649 390 HZ2 LYS 43 2HZ LYS 43 4.976 10.256 20.514 391 HZ3 LYS 43 3HZ LYS 43 4.521 11.837 20.132 392 H ALA 44 H ALA 44 9.878 12.791 20.970 393 HA ALA 44 HA ALA 44 10.449 11.818 23.613 394 HB1 ALA 44 1HB ALA 44 9.449 10.400 21.879 395 HB2 ALA 44 2HB ALA 44 10.964 9.708 22.467 396 HB3 ALA 44 3HB ALA 44 10.912 10.535 20.906 397 H LYS 45 H LYS 45 12.309 13.493 21.267 398 HA LYS 45 HA LYS 45 14.962 12.764 21.997 399 HB2 LYS 45 2HB LYS 45 14.347 14.098 19.970 400 HB3 LYS 45 3HB LYS 45 13.873 15.443 20.999 401 HG2 LYS 45 2HG LYS 45 16.230 15.647 21.775 402 HG3 LYS 45 3HG LYS 45 16.688 14.336 20.686 403 HD2 LYS 45 2HD LYS 45 15.542 17.038 19.865 404 HD3 LYS 45 3HD LYS 45 17.221 16.529 19.693 405 HE2 LYS 45 2HE LYS 45 16.510 14.756 18.106 406 HE3 LYS 45 3HE LYS 45 14.835 15.292 18.267 407 HZ1 LYS 45 1HZ LYS 45 17.100 16.840 17.122 408 HZ2 LYS 45 2HZ LYS 45 15.567 17.492 17.405 409 HZ3 LYS 45 3HZ LYS 45 15.759 16.234 16.288 410 H ASN 46 H ASN 46 12.484 14.320 23.686 411 HA ASN 46 HA ASN 46 12.181 15.391 25.608 412 HB2 ASN 46 2HB ASN 46 15.072 14.645 26.222 413 HB3 ASN 46 3HB ASN 46 13.960 15.363 27.382 414 HD21 ASN 46 1HD2 ASN 46 14.699 12.495 25.532 415 HD22 ASN 46 2HD2 ASN 46 13.644 11.423 26.378 416 H SER 47 H SER 47 12.367 16.749 23.482 417 HA SER 47 HA SER 47 14.072 19.063 23.588 418 HB2 SER 47 2HB SER 47 12.467 19.811 21.729 419 HB3 SER 47 3HB SER 47 13.288 18.277 21.437 420 HG SER 47 HG SER 47 10.719 18.678 21.383 421 H LYS 48 H LYS 48 12.490 21.248 23.241 422 HA LYS 48 HA LYS 48 11.379 21.743 25.852 423 HB2 LYS 48 2HB LYS 48 11.506 23.524 23.384 424 HB3 LYS 48 3HB LYS 48 10.924 24.056 24.959 425 HG2 LYS 48 2HG LYS 48 13.740 23.107 24.320 426 HG3 LYS 48 3HG LYS 48 13.242 24.777 24.581 427 HD2 LYS 48 2HD LYS 48 13.157 22.552 26.659 428 HD3 LYS 48 3HD LYS 48 14.369 23.831 26.568 429 HE2 LYS 48 2HE LYS 48 12.587 25.524 26.958 430 HE3 LYS 48 3HE LYS 48 11.401 24.222 27.097 431 HZ1 LYS 48 1HZ LYS 48 12.201 25.022 29.263 432 HZ2 LYS 48 2HZ LYS 48 13.768 24.538 28.866 433 HZ3 LYS 48 3HZ LYS 48 12.546 23.384 29.026 434 H LYS 49 H LYS 49 9.780 20.104 25.796 435 HA LYS 49 HA LYS 49 7.262 20.735 24.383 436 HB2 LYS 49 2HB LYS 49 8.136 18.379 24.238 437 HB3 LYS 49 3HB LYS 49 8.089 18.262 25.991 438 HG2 LYS 49 2HG LYS 49 5.582 18.618 25.863 439 HG3 LYS 49 3HG LYS 49 5.723 18.517 24.110 440 HD2 LYS 49 2HD LYS 49 5.048 16.349 24.769 441 HD3 LYS 49 3HD LYS 49 6.779 16.183 24.488 442 HE2 LYS 49 2HE LYS 49 5.492 16.546 27.219 443 HE3 LYS 49 3HE LYS 49 5.971 15.000 26.529 444 HZ1 LYS 49 1HZ LYS 49 8.271 15.848 26.455 445 HZ2 LYS 49 2HZ LYS 49 7.650 15.734 28.018 446 HZ3 LYS 49 3HZ LYS 49 7.764 17.240 27.271 447 H ALA 50 H ALA 50 5.303 20.826 25.701 448 HA ALA 50 HA ALA 50 5.328 22.321 28.045 449 HB1 ALA 50 1HB ALA 50 2.943 21.698 28.262 450 HB2 ALA 50 2HB ALA 50 3.171 20.408 27.077 451 HB3 ALA 50 3HB ALA 50 3.353 22.093 26.590 452 H ILE 51 H ILE 51 5.368 21.841 30.215 453 HA ILE 51 HA ILE 51 6.659 19.347 30.935 454 HB ILE 51 HB ILE 51 6.969 20.413 33.198 455 HG12 ILE 51 2HG1 ILE 51 6.588 23.060 33.114 456 HG13 ILE 51 3HG1 ILE 51 5.329 22.661 31.954 457 HG21 ILE 51 1HG2 ILE 51 7.917 22.047 30.820 458 HG22 ILE 51 2HG2 ILE 51 8.677 20.583 31.452 459 HG23 ILE 51 3HG2 ILE 51 8.641 22.049 32.431 460 HD11 ILE 51 1HD1 ILE 51 4.194 21.317 33.668 461 HD12 ILE 51 2HD1 ILE 51 4.445 22.979 34.202 462 HD13 ILE 51 3HD1 ILE 51 5.484 21.693 34.813 463 H GLU 52 H GLU 52 3.460 20.120 30.735 464 HA GLU 52 HA GLU 52 2.574 18.459 33.010 465 HB2 GLU 52 2HB GLU 52 0.987 20.087 30.977 466 HB3 GLU 52 3HB GLU 52 0.273 19.156 32.291 467 HG2 GLU 52 2HG GLU 52 1.355 20.590 33.945 468 HG3 GLU 52 3HG GLU 52 2.175 21.483 32.667 469 H ASP 53 H ASP 53 1.217 16.624 32.687 470 HA ASP 53 HA ASP 53 1.505 15.117 30.197 471 HB2 ASP 53 2HB ASP 53 0.116 14.464 32.846 472 HB3 ASP 53 3HB ASP 53 0.097 13.377 31.464 473 H GLY 54 H GLY 54 -0.718 13.879 29.664 474 HA2 GLY 54 2HA GLY 54 -2.906 15.872 29.384 475 HA3 GLY 54 3HA GLY 54 -2.310 14.949 28.013 476 H VAL 55 H VAL 55 -4.089 14.763 31.045 477 HA VAL 55 HA VAL 55 -5.309 12.235 30.101 478 HB VAL 55 HB VAL 55 -4.150 11.993 32.323 479 HG11 VAL 55 1HG1 VAL 55 -6.264 13.876 33.413 480 HG12 VAL 55 2HG1 VAL 55 -4.553 14.258 33.221 481 HG13 VAL 55 3HG1 VAL 55 -5.049 12.997 34.350 482 HG21 VAL 55 1HG2 VAL 55 -6.005 10.491 31.736 483 HG22 VAL 55 2HG2 VAL 55 -7.168 11.621 32.433 484 HG23 VAL 55 3HG2 VAL 55 -5.992 10.811 33.473 485 HA PRO 56 HA PRO 56 -9.098 14.813 29.948 486 HB2 PRO 56 2HB PRO 56 -10.703 12.997 28.734 487 HB3 PRO 56 3HB PRO 56 -9.391 13.784 27.835 488 HG2 PRO 56 2HG PRO 56 -9.443 11.055 29.079 489 HG3 PRO 56 3HG PRO 56 -8.861 11.544 27.471 490 HD2 PRO 56 2HD PRO 56 -7.197 11.171 29.624 491 HD3 PRO 56 3HD PRO 56 -6.831 12.271 28.278 492 H GLN 57 H GLN 57 -11.616 13.549 30.352 493 HA GLN 57 HA GLN 57 -11.882 13.122 33.113 494 HB2 GLN 57 2HB GLN 57 -13.668 12.250 30.803 495 HB3 GLN 57 3HB GLN 57 -14.101 11.943 32.474 496 HG2 GLN 57 2HG GLN 57 -15.273 13.903 31.590 497 HG3 GLN 57 3HG GLN 57 -14.226 14.326 32.935 498 HE21 GLN 57 1HE2 GLN 57 -14.654 14.553 29.476 499 HE22 GLN 57 2HE2 GLN 57 -13.570 15.876 29.234 500 HA PRO 58 HA PRO 58 -9.539 9.398 33.646 501 HB2 PRO 58 2HB PRO 58 -10.992 8.299 35.851 502 HB3 PRO 58 3HB PRO 58 -9.613 9.405 35.933 503 HG2 PRO 58 2HG PRO 58 -12.528 10.022 36.111 504 HG3 PRO 58 3HG PRO 58 -11.156 10.779 36.952 505 HD2 PRO 58 2HD PRO 58 -12.361 12.021 34.898 506 HD3 PRO 58 3HD PRO 58 -10.597 12.126 35.116 507 H GLU 59 H GLU 59 -13.008 8.518 34.228 508 HA GLU 59 HA GLU 59 -12.762 6.444 32.121 509 HB2 GLU 59 2HB GLU 59 -14.075 6.075 34.853 510 HB3 GLU 59 3HB GLU 59 -14.211 4.933 33.517 511 HG2 GLU 59 2HG GLU 59 -11.755 4.597 33.559 512 HG3 GLU 59 3HG GLU 59 -11.637 5.728 34.904 513 H ALA 60 H ALA 60 -15.310 7.825 34.246 514 HA ALA 60 HA ALA 60 -16.916 8.550 31.872 515 HB1 ALA 60 1HB ALA 60 -17.736 6.366 32.662 516 HB2 ALA 60 2HB ALA 60 -18.942 7.626 32.929 517 HB3 ALA 60 3HB ALA 60 -17.984 7.020 34.284 518 H LEU 61 H LEU 61 -17.117 10.652 32.009 519 HA LEU 61 HA LEU 61 -18.643 11.890 34.102 520 HB2 LEU 61 2HB LEU 61 -16.296 11.966 35.019 521 HB3 LEU 61 3HB LEU 61 -15.802 12.887 33.617 522 HG LEU 61 HG LEU 61 -17.346 14.746 34.364 523 HD11 LEU 61 1HD1 LEU 61 -17.655 13.099 36.893 524 HD12 LEU 61 2HD1 LEU 61 -18.921 13.451 35.716 525 HD13 LEU 61 3HD1 LEU 61 -18.212 14.758 36.656 526 HD21 LEU 61 1HD2 LEU 61 -14.943 14.833 34.834 527 HD22 LEU 61 2HD2 LEU 61 -15.185 13.948 36.345 528 HD23 LEU 61 3HD2 LEU 61 -15.866 15.566 36.148 529 H GLU 62 H GLU 62 -18.273 11.368 31.025 530 HA GLU 62 HA GLU 62 -19.664 13.641 30.046 531 HB2 GLU 62 2HB GLU 62 -17.317 14.550 30.072 532 HB3 GLU 62 3HB GLU 62 -16.812 13.259 29.002 533 HG2 GLU 62 2HG GLU 62 -19.047 15.017 28.045 534 HG3 GLU 62 3HG GLU 62 -17.453 15.748 28.137 535 H1 MET 1 1H MET 1 19.061 1.836 30.016 536 H2 MET 1 2H MET 1 18.620 0.228 29.734 537 H3 MET 1 3H MET 1 18.847 0.773 31.315 538 HA MET 1 HA MET 1 16.978 2.221 31.171 539 HB2 MET 1 2HB MET 1 16.762 1.137 28.326 540 HB3 MET 1 3HB MET 1 15.453 1.995 29.132 541 HG2 MET 1 2HG MET 1 16.626 3.496 27.651 542 HG3 MET 1 3HG MET 1 16.899 3.991 29.323 543 HE1 MET 1 1HE MET 1 20.261 4.907 27.421 544 HE2 MET 1 2HE MET 1 19.002 5.546 28.478 545 HE3 MET 1 3HE MET 1 18.600 5.025 26.840 546 H GLU 2 H GLU 2 15.056 1.426 31.998 547 HA GLU 2 HA GLU 2 14.273 -1.364 31.744 548 HB2 GLU 2 2HB GLU 2 14.503 -1.891 34.152 549 HB3 GLU 2 3HB GLU 2 16.070 -1.518 33.441 550 HG2 GLU 2 2HG GLU 2 15.884 0.805 34.388 551 HG3 GLU 2 3HG GLU 2 14.400 0.313 35.197 552 H GLU 3 H GLU 3 13.829 1.814 33.206 553 HA GLU 3 HA GLU 3 11.201 1.429 34.203 554 HB2 GLU 3 2HB GLU 3 12.639 4.003 33.432 555 HB3 GLU 3 3HB GLU 3 11.125 3.927 34.330 556 HG2 GLU 3 2HG GLU 3 12.299 2.683 36.147 557 HG3 GLU 3 3HG GLU 3 13.811 2.854 35.258 558 H LEU 4 H LEU 4 9.302 1.441 33.195 559 HA LEU 4 HA LEU 4 9.128 1.275 30.362 560 HB2 LEU 4 2HB LEU 4 6.874 1.503 32.393 561 HB3 LEU 4 3HB LEU 4 6.722 0.910 30.745 562 HG LEU 4 HG LEU 4 8.270 -0.458 32.988 563 HD11 LEU 4 1HD1 LEU 4 6.535 -2.190 32.896 564 HD12 LEU 4 2HD1 LEU 4 5.643 -1.252 31.695 565 HD13 LEU 4 3HD1 LEU 4 5.858 -0.621 33.330 566 HD21 LEU 4 1HD2 LEU 4 8.558 -2.338 31.439 567 HD22 LEU 4 2HD2 LEU 4 9.334 -0.879 30.832 568 HD23 LEU 4 3HD2 LEU 4 7.795 -1.406 30.147 569 H SER 5 H SER 5 9.520 3.125 29.234 570 HA SER 5 HA SER 5 7.811 5.488 29.691 571 HB2 SER 5 2HB SER 5 9.797 6.973 29.298 572 HB3 SER 5 3HB SER 5 9.968 6.012 30.765 573 HG SER 5 HG SER 5 11.847 6.108 29.301 574 H GLY 6 H GLY 6 7.951 7.003 27.748 575 HA2 GLY 6 2HA GLY 6 7.270 5.430 25.406 576 HA3 GLY 6 3HA GLY 6 7.074 7.160 25.614 577 H LYS 7 H LYS 7 9.343 4.618 24.733 578 HA LYS 7 HA LYS 7 11.395 6.355 23.705 579 HB2 LYS 7 2HB LYS 7 10.801 3.389 23.346 580 HB3 LYS 7 3HB LYS 7 12.064 4.178 22.412 581 HG2 LYS 7 2HG LYS 7 13.161 3.132 24.219 582 HG3 LYS 7 3HG LYS 7 13.144 4.852 24.598 583 HD2 LYS 7 2HD LYS 7 11.233 4.468 26.146 584 HD3 LYS 7 3HD LYS 7 11.289 2.743 25.772 585 HE2 LYS 7 2HE LYS 7 13.630 2.676 26.672 586 HE3 LYS 7 3HE LYS 7 13.468 4.373 27.127 587 HZ1 LYS 7 1HZ LYS 7 11.828 2.118 28.160 588 HZ2 LYS 7 2HZ LYS 7 11.600 3.741 28.566 589 HZ3 LYS 7 3HZ LYS 7 13.024 2.951 29.009 590 HA PRO 8 HA PRO 8 9.468 6.955 19.577 591 HB2 PRO 8 2HB PRO 8 11.555 7.953 18.187 592 HB3 PRO 8 3HB PRO 8 10.851 8.882 19.527 593 HG2 PRO 8 2HG PRO 8 13.329 7.189 19.518 594 HG3 PRO 8 3HG PRO 8 13.077 8.810 20.206 595 HD2 PRO 8 2HD PRO 8 12.966 6.489 21.706 596 HD3 PRO 8 3HD PRO 8 12.112 7.987 22.140 597 H LEU 9 H LEU 9 10.157 6.362 17.196 598 HA LEU 9 HA LEU 9 10.682 3.564 17.003 599 HB2 LEU 9 2HB LEU 9 10.666 4.014 14.502 600 HB3 LEU 9 3HB LEU 9 9.221 4.471 15.377 601 HG LEU 9 HG LEU 9 10.198 6.902 15.346 602 HD11 LEU 9 1HD1 LEU 9 12.458 6.457 14.607 603 HD12 LEU 9 2HD1 LEU 9 11.631 7.421 13.384 604 HD13 LEU 9 3HD1 LEU 9 11.871 5.687 13.134 605 HD21 LEU 9 1HD2 LEU 9 9.184 7.363 13.160 606 HD22 LEU 9 2HD2 LEU 9 8.206 6.231 14.092 607 HD23 LEU 9 3HD2 LEU 9 9.216 5.640 12.769 608 H SER 10 H SER 10 12.480 2.513 16.139 609 HA SER 10 HA SER 10 15.077 3.745 16.518 610 HB2 SER 10 2HB SER 10 14.320 0.930 15.588 611 HB3 SER 10 3HB SER 10 15.927 1.454 16.101 612 HG SER 10 HG SER 10 13.600 1.053 17.632 613 H TYR 11 H TYR 11 16.769 3.315 14.802 614 HA TYR 11 HA TYR 11 16.246 4.566 12.363 615 HB2 TYR 11 2HB TYR 11 18.518 4.409 13.286 616 HB3 TYR 11 3HB TYR 11 18.507 2.659 13.122 617 HD1 TYR 11 HD1 TYR 11 18.566 5.853 11.177 618 HD2 TYR 11 HD2 TYR 11 19.157 1.622 11.032 619 HE1 TYR 11 HE1 TYR 11 19.601 6.067 8.965 620 HE2 TYR 11 HE2 TYR 11 20.189 1.843 8.811 621 HH TYR 11 HH TYR 11 20.152 3.553 6.908 622 H ALA 12 H ALA 12 16.667 1.115 13.105 623 HA ALA 12 HA ALA 12 16.194 0.035 10.566 624 HB1 ALA 12 1HB ALA 12 15.864 -2.094 11.751 625 HB2 ALA 12 2HB ALA 12 15.710 -1.226 13.281 626 HB3 ALA 12 3HB ALA 12 17.241 -1.208 12.401 627 H GLU 13 H GLU 13 13.921 0.932 13.141 628 HA GLU 13 HA GLU 13 11.586 -0.267 12.001 629 HB2 GLU 13 2HB GLU 13 11.786 2.022 14.010 630 HB3 GLU 13 3HB GLU 13 10.307 1.156 13.599 631 HG2 GLU 13 2HG GLU 13 11.432 -0.960 14.424 632 HG3 GLU 13 3HG GLU 13 12.751 0.059 14.997 633 H LYS 14 H LYS 14 13.053 2.947 11.823 634 HA LYS 14 HA LYS 14 11.032 4.234 10.311 635 HB2 LYS 14 2HB LYS 14 12.741 5.446 11.620 636 HB3 LYS 14 3HB LYS 14 14.011 4.866 10.565 637 HG2 LYS 14 2HG LYS 14 11.768 6.465 9.344 638 HG3 LYS 14 3HG LYS 14 12.960 7.320 10.316 639 HD2 LYS 14 2HD LYS 14 13.650 5.555 7.929 640 HD3 LYS 14 3HD LYS 14 13.457 7.311 7.851 641 HE2 LYS 14 2HE LYS 14 15.307 7.520 9.556 642 HE3 LYS 14 3HE LYS 14 15.556 5.773 9.419 643 HZ1 LYS 14 1HZ LYS 14 16.011 6.077 7.058 644 HZ2 LYS 14 2HZ LYS 14 17.077 6.987 7.988 645 HZ3 LYS 14 3HZ LYS 14 15.783 7.734 7.196 646 H GLU 15 H GLU 15 13.929 2.405 9.419 647 HA GLU 15 HA GLU 15 13.935 3.011 6.642 648 HB2 GLU 15 2HB GLU 15 15.219 0.743 8.210 649 HB3 GLU 15 3HB GLU 15 15.522 1.032 6.503 650 HG2 GLU 15 2HG GLU 15 16.066 3.073 8.651 651 HG3 GLU 15 3HG GLU 15 17.255 1.889 8.121 652 H LYS 16 H LYS 16 12.822 0.156 8.485 653 HA LYS 16 HA LYS 16 11.738 -1.218 6.255 654 HB2 LYS 16 2HB LYS 16 10.646 -2.725 7.768 655 HB3 LYS 16 3HB LYS 16 12.215 -2.325 8.451 656 HG2 LYS 16 2HG LYS 16 11.127 -0.757 10.031 657 HG3 LYS 16 3HG LYS 16 9.555 -1.159 9.341 658 HD2 LYS 16 2HD LYS 16 9.874 -2.397 11.422 659 HD3 LYS 16 3HD LYS 16 9.856 -3.524 10.066 660 HE2 LYS 16 2HE LYS 16 12.377 -3.523 10.132 661 HE3 LYS 16 3HE LYS 16 12.286 -2.537 11.591 662 HZ1 LYS 16 1HZ LYS 16 11.093 -4.315 12.693 663 HZ2 LYS 16 2HZ LYS 16 12.561 -4.894 12.094 664 HZ3 LYS 16 3HZ LYS 16 11.116 -5.257 11.290 665 H LEU 17 H LEU 17 10.448 1.344 8.269 666 HA LEU 17 HA LEU 17 7.715 1.044 7.459 667 HB2 LEU 17 2HB LEU 17 8.845 2.285 9.565 668 HB3 LEU 17 3HB LEU 17 8.733 3.684 8.520 669 HG LEU 17 HG LEU 17 6.811 3.442 10.126 670 HD11 LEU 17 1HD1 LEU 17 5.967 3.271 7.208 671 HD12 LEU 17 2HD1 LEU 17 6.467 4.735 8.062 672 HD13 LEU 17 3HD1 LEU 17 4.992 3.902 8.544 673 HD21 LEU 17 1HD2 LEU 17 5.142 1.676 9.815 674 HD22 LEU 17 2HD2 LEU 17 6.716 0.957 10.134 675 HD23 LEU 17 3HD2 LEU 17 6.079 0.978 8.486 676 H LYS 18 H LYS 18 10.338 3.291 6.462 677 HA LYS 18 HA LYS 18 8.690 4.746 4.646 678 HB2 LYS 18 2HB LYS 18 10.767 5.855 3.882 679 HB3 LYS 18 3HB LYS 18 10.638 5.830 5.630 680 HG2 LYS 18 2HG LYS 18 12.890 5.372 5.310 681 HG3 LYS 18 3HG LYS 18 12.215 3.754 5.498 682 HD2 LYS 18 2HD LYS 18 12.173 3.573 2.970 683 HD3 LYS 18 3HD LYS 18 13.021 5.117 2.896 684 HE2 LYS 18 2HE LYS 18 14.936 4.151 4.075 685 HE3 LYS 18 3HE LYS 18 14.074 2.624 4.279 686 HZ1 LYS 18 1HZ LYS 18 14.878 3.823 1.677 687 HZ2 LYS 18 2HZ LYS 18 14.053 2.360 1.870 688 HZ3 LYS 18 3HZ LYS 18 15.634 2.518 2.445 689 H GLU 19 H GLU 19 10.762 1.888 4.319 690 HA GLU 19 HA GLU 19 10.507 1.763 1.438 691 HB2 GLU 19 2HB GLU 19 11.758 -0.243 1.494 692 HB3 GLU 19 3HB GLU 19 12.423 0.722 2.803 693 HG2 GLU 19 2HG GLU 19 11.156 -0.585 4.443 694 HG3 GLU 19 3HG GLU 19 10.423 -1.530 3.151 695 H LYS 20 H LYS 20 8.718 0.481 4.221 696 HA LYS 20 HA LYS 20 6.929 -1.215 2.892 697 HB2 LYS 20 2HB LYS 20 6.546 -1.404 5.153 698 HB3 LYS 20 3HB LYS 20 6.874 0.290 5.472 699 HG2 LYS 20 2HG LYS 20 4.655 0.952 4.979 700 HG3 LYS 20 3HG LYS 20 4.294 -0.553 4.129 701 HD2 LYS 20 2HD LYS 20 4.774 -0.336 7.127 702 HD3 LYS 20 3HD LYS 20 3.184 -0.371 6.364 703 HE2 LYS 20 2HE LYS 20 3.866 -2.630 5.360 704 HE3 LYS 20 3HE LYS 20 5.250 -2.588 6.453 705 HZ1 LYS 20 1HZ LYS 20 3.661 -2.413 8.318 706 HZ2 LYS 20 2HZ LYS 20 3.473 -3.842 7.441 707 HZ3 LYS 20 3HZ LYS 20 2.378 -2.572 7.228 708 H LEU 21 H LEU 21 6.802 2.278 3.460 709 HA LEU 21 HA LEU 21 4.336 2.856 2.268 710 HB2 LEU 21 2HB LEU 21 6.783 4.664 2.439 711 HB3 LEU 21 3HB LEU 21 5.129 5.197 2.165 712 HG LEU 21 HG LEU 21 6.191 3.930 4.714 713 HD11 LEU 21 1HD1 LEU 21 5.326 6.776 4.182 714 HD12 LEU 21 2HD1 LEU 21 6.981 6.209 4.421 715 HD13 LEU 21 3HD1 LEU 21 5.819 6.108 5.742 716 HD21 LEU 21 1HD2 LEU 21 3.405 4.971 4.156 717 HD22 LEU 21 2HD2 LEU 21 4.018 4.406 5.712 718 HD23 LEU 21 3HD2 LEU 21 3.864 3.278 4.369 719 H ALA 22 H ALA 22 7.633 2.900 0.906 720 HA ALA 22 HA ALA 22 6.965 3.781 -1.718 721 HB1 ALA 22 1HB ALA 22 9.266 3.100 -2.305 722 HB2 ALA 22 2HB ALA 22 9.407 2.216 -0.782 723 HB3 ALA 22 3HB ALA 22 9.239 3.972 -0.773 724 H PHE 23 H PHE 23 7.209 0.582 -0.269 725 HA PHE 23 HA PHE 23 7.293 -0.946 -2.683 726 HB2 PHE 23 2HB PHE 23 8.206 -1.817 -0.580 727 HB3 PHE 23 3HB PHE 23 6.624 -1.754 0.180 728 HD1 PHE 23 HD1 PHE 23 8.449 -3.371 -2.680 729 HD2 PHE 23 HD2 PHE 23 5.280 -3.683 0.172 730 HE1 PHE 23 HE1 PHE 23 8.040 -5.695 -3.380 731 HE2 PHE 23 HE2 PHE 23 4.869 -5.986 -0.533 732 HZ PHE 23 HZ PHE 23 6.250 -7.008 -2.307 733 H LEU 24 H LEU 24 4.722 -0.460 -0.244 734 HA LEU 24 HA LEU 24 2.719 -1.756 -1.759 735 HB2 LEU 24 2HB LEU 24 1.123 -0.999 -0.101 736 HB3 LEU 24 3HB LEU 24 2.566 -1.609 0.669 737 HG LEU 24 HG LEU 24 3.235 0.910 0.949 738 HD11 LEU 24 1HD1 LEU 24 0.257 1.256 0.500 739 HD12 LEU 24 2HD1 LEU 24 1.554 1.915 -0.497 740 HD13 LEU 24 3HD1 LEU 24 1.350 2.477 1.155 741 HD21 LEU 24 1HD2 LEU 24 0.939 -0.228 2.587 742 HD22 LEU 24 2HD2 LEU 24 2.005 1.093 3.079 743 HD23 LEU 24 3HD2 LEU 24 2.660 -0.526 2.850 744 H LYS 25 H LYS 25 3.868 1.557 -1.665 745 HA LYS 25 HA LYS 25 1.797 2.897 -3.040 746 HB2 LYS 25 2HB LYS 25 3.536 4.142 -1.885 747 HB3 LYS 25 3HB LYS 25 4.796 3.424 -2.879 748 HG2 LYS 25 2HG LYS 25 3.846 4.654 -4.855 749 HG3 LYS 25 3HG LYS 25 2.717 5.458 -3.762 750 HD2 LYS 25 2HD LYS 25 5.755 5.628 -3.663 751 HD3 LYS 25 3HD LYS 25 4.668 6.889 -4.244 752 HE2 LYS 25 2HE LYS 25 4.822 5.850 -1.390 753 HE3 LYS 25 3HE LYS 25 5.464 7.387 -1.974 754 HZ1 LYS 25 1HZ LYS 25 3.365 7.753 -0.925 755 HZ2 LYS 25 2HZ LYS 25 2.600 6.595 -1.889 756 HZ3 LYS 25 3HZ LYS 25 3.182 8.023 -2.582 757 H LYS 26 H LYS 26 4.836 1.463 -4.284 758 HA LYS 26 HA LYS 26 4.364 2.234 -6.983 759 HB2 LYS 26 2HB LYS 26 6.320 0.912 -7.580 760 HB3 LYS 26 3HB LYS 26 6.655 1.831 -6.121 761 HG2 LYS 26 2HG LYS 26 6.380 -0.172 -4.749 762 HG3 LYS 26 3HG LYS 26 5.924 -1.115 -6.171 763 HD2 LYS 26 2HD LYS 26 8.179 -0.778 -7.132 764 HD3 LYS 26 3HD LYS 26 8.642 0.193 -5.731 765 HE2 LYS 26 2HE LYS 26 8.345 -1.761 -4.260 766 HE3 LYS 26 3HE LYS 26 7.830 -2.736 -5.643 767 HZ1 LYS 26 1HZ LYS 26 10.479 -1.412 -5.489 768 HZ2 LYS 26 2HZ LYS 26 9.978 -2.588 -6.594 769 HZ3 LYS 26 3HZ LYS 26 10.205 -2.995 -4.974 770 H GLU 27 H GLU 27 3.842 -0.807 -5.171 771 HA GLU 27 HA GLU 27 3.009 -2.311 -7.448 772 HB2 GLU 27 2HB GLU 27 2.370 -4.069 -5.971 773 HB3 GLU 27 3HB GLU 27 3.834 -3.353 -5.311 774 HG2 GLU 27 2HG GLU 27 2.561 -2.206 -3.595 775 HG3 GLU 27 3HG GLU 27 1.044 -2.743 -4.303 776 H TYR 28 H TYR 28 1.322 -0.347 -5.044 777 HA TYR 28 HA TYR 28 -1.355 -0.901 -5.622 778 HB2 TYR 28 2HB TYR 28 -0.748 0.464 -3.695 779 HB3 TYR 28 3HB TYR 28 -0.018 1.690 -4.716 780 HD1 TYR 28 HD1 TYR 28 -3.306 0.132 -3.828 781 HD2 TYR 28 HD2 TYR 28 -1.328 3.544 -5.475 782 HE1 TYR 28 HE1 TYR 28 -5.429 1.350 -3.856 783 HE2 TYR 28 HE2 TYR 28 -3.461 4.763 -5.500 784 HH TYR 28 HH TYR 28 -5.815 4.311 -5.513 785 H SER 29 H SER 29 0.838 1.508 -7.044 786 HA SER 29 HA SER 29 -1.024 2.695 -8.797 787 HB2 SER 29 2HB SER 29 1.109 3.774 -8.120 788 HB3 SER 29 3HB SER 29 2.014 2.582 -9.057 789 HG SER 29 HG SER 29 1.512 3.624 -10.842 790 H ARG 30 H ARG 30 1.377 0.094 -9.304 791 HA ARG 30 HA ARG 30 0.928 -0.285 -12.096 792 HB2 ARG 30 2HB ARG 30 1.990 -2.279 -10.052 793 HB3 ARG 30 3HB ARG 30 2.148 -2.424 -11.799 794 HG2 ARG 30 2HG ARG 30 3.611 -0.457 -11.852 795 HG3 ARG 30 3HG ARG 30 3.408 -0.239 -10.113 796 HD2 ARG 30 2HD ARG 30 4.778 -2.548 -11.529 797 HD3 ARG 30 3HD ARG 30 5.527 -1.330 -10.493 798 HE ARG 30 HE ARG 30 3.500 -3.041 -9.257 799 HH11 ARG 30 1HH1 ARG 30 6.964 -2.473 -9.721 800 HH12 ARG 30 2HH1 ARG 30 7.418 -3.468 -8.372 801 HH21 ARG 30 1HH2 ARG 30 4.133 -4.387 -7.534 802 HH22 ARG 30 2HH2 ARG 30 5.814 -4.549 -7.135 803 H THR 31 H THR 31 -0.398 -1.881 -9.213 804 HA THR 31 HA THR 31 -1.708 -3.942 -10.726 805 HB THR 31 HB THR 31 -0.661 -4.313 -8.431 806 HG1 THR 31 HG1 THR 31 -3.284 -5.162 -9.105 807 HG21 THR 31 1HG2 THR 31 -1.698 -2.433 -7.192 808 HG22 THR 31 2HG2 THR 31 -2.078 -3.988 -6.452 809 HG23 THR 31 3HG2 THR 31 -3.290 -3.159 -7.431 810 H LEU 32 H LEU 32 -2.685 -0.925 -9.190 811 HA LEU 32 HA LEU 32 -5.505 -1.284 -9.593 812 HB2 LEU 32 2HB LEU 32 -4.574 0.332 -7.949 813 HB3 LEU 32 3HB LEU 32 -3.914 1.300 -9.249 814 HG LEU 32 HG LEU 32 -6.914 0.845 -9.222 815 HD11 LEU 32 1HD1 LEU 32 -6.457 1.419 -6.884 816 HD12 LEU 32 2HD1 LEU 32 -7.303 2.727 -7.704 817 HD13 LEU 32 3HD1 LEU 32 -5.570 2.859 -7.391 818 HD21 LEU 32 1HD2 LEU 32 -5.224 3.258 -9.969 819 HD22 LEU 32 2HD2 LEU 32 -6.981 3.151 -10.109 820 HD23 LEU 32 3HD2 LEU 32 -5.954 2.109 -11.089 821 H ALA 33 H ALA 33 -2.839 0.183 -11.422 822 HA ALA 33 HA ALA 33 -4.191 1.294 -13.586 823 HB1 ALA 33 1HB ALA 33 -1.780 1.599 -13.158 824 HB2 ALA 33 2HB ALA 33 -2.074 1.065 -14.814 825 HB3 ALA 33 3HB ALA 33 -1.481 -0.085 -13.608 826 H ARG 34 H ARG 34 -2.816 -2.000 -13.309 827 HA ARG 34 HA ARG 34 -3.765 -2.900 -15.842 828 HB2 ARG 34 2HB ARG 34 -2.881 -5.070 -15.243 829 HB3 ARG 34 3HB ARG 34 -1.746 -3.832 -14.721 830 HG2 ARG 34 2HG ARG 34 -2.719 -4.072 -12.387 831 HG3 ARG 34 3HG ARG 34 -3.621 -5.464 -12.984 832 HD2 ARG 34 2HD ARG 34 -0.596 -5.174 -12.900 833 HD3 ARG 34 3HD ARG 34 -1.586 -6.185 -11.840 834 HE ARG 34 HE ARG 34 -1.745 -6.726 -14.709 835 HH11 ARG 34 1HH1 ARG 34 -0.363 -7.733 -11.608 836 HH12 ARG 34 2HH1 ARG 34 0.056 -9.312 -12.195 837 HH21 ARG 34 1HH2 ARG 34 -1.173 -8.781 -15.440 838 HH22 ARG 34 2HH2 ARG 34 -0.403 -9.905 -14.362 839 H LEU 35 H LEU 35 -5.042 -3.090 -12.548 840 HA LEU 35 HA LEU 35 -7.218 -4.828 -12.928 841 HB2 LEU 35 2HB LEU 35 -6.540 -4.038 -10.690 842 HB3 LEU 35 3HB LEU 35 -6.981 -2.394 -11.111 843 HG LEU 35 HG LEU 35 -9.391 -3.120 -11.267 844 HD11 LEU 35 1HD1 LEU 35 -9.106 -5.492 -11.747 845 HD12 LEU 35 2HD1 LEU 35 -10.088 -5.264 -10.304 846 HD13 LEU 35 3HD1 LEU 35 -8.399 -5.760 -10.150 847 HD21 LEU 35 1HD2 LEU 35 -8.543 -2.062 -9.224 848 HD22 LEU 35 2HD2 LEU 35 -8.080 -3.640 -8.578 849 HD23 LEU 35 3HD2 LEU 35 -9.783 -3.260 -8.850 850 H GLN 36 H GLN 36 -6.940 -1.295 -13.397 851 HA GLN 36 HA GLN 36 -9.634 -0.880 -14.220 852 HB2 GLN 36 2HB GLN 36 -7.198 0.898 -14.691 853 HB3 GLN 36 3HB GLN 36 -8.867 1.375 -14.988 854 HG2 GLN 36 2HG GLN 36 -7.601 0.746 -12.312 855 HG3 GLN 36 3HG GLN 36 -8.129 2.319 -12.890 856 HE21 GLN 36 1HE2 GLN 36 -8.875 0.787 -10.478 857 HE22 GLN 36 2HE2 GLN 36 -10.595 0.649 -10.519 858 H ARG 37 H ARG 37 -6.613 -1.526 -15.983 859 HA ARG 37 HA ARG 37 -7.677 -1.039 -18.589 860 HB2 ARG 37 2HB ARG 37 -5.244 -2.669 -17.741 861 HB3 ARG 37 3HB ARG 37 -5.637 -2.280 -19.415 862 HG2 ARG 37 2HG ARG 37 -4.956 -0.304 -17.213 863 HG3 ARG 37 3HG ARG 37 -3.940 -0.740 -18.586 864 HD2 ARG 37 2HD ARG 37 -5.567 0.291 -20.128 865 HD3 ARG 37 3HD ARG 37 -6.628 0.676 -18.770 866 HE ARG 37 HE ARG 37 -3.947 1.771 -18.612 867 HH11 ARG 37 1HH1 ARG 37 -7.276 2.386 -19.640 868 HH12 ARG 37 2HH1 ARG 37 -7.076 4.114 -19.620 869 HH21 ARG 37 1HH2 ARG 37 -3.713 4.020 -18.583 870 HH22 ARG 37 2HH2 ARG 37 -5.055 5.036 -19.019 871 H ALA 38 H ALA 38 -7.728 -3.836 -16.484 872 HA ALA 38 HA ALA 38 -8.787 -5.681 -18.424 873 HB1 ALA 38 1HB ALA 38 -9.220 -7.142 -16.491 874 HB2 ALA 38 2HB ALA 38 -8.875 -5.806 -15.387 875 HB3 ALA 38 3HB ALA 38 -7.595 -6.459 -16.409 876 H LYS 39 H LYS 39 -10.279 -3.829 -15.729 877 HA LYS 39 HA LYS 39 -12.905 -4.930 -16.216 878 HB2 LYS 39 2HB LYS 39 -13.603 -3.701 -14.236 879 HB3 LYS 39 3HB LYS 39 -12.062 -4.492 -13.930 880 HG2 LYS 39 2HG LYS 39 -10.874 -2.362 -14.241 881 HG3 LYS 39 3HG LYS 39 -12.391 -1.544 -14.602 882 HD2 LYS 39 2HD LYS 39 -11.707 -2.876 -11.950 883 HD3 LYS 39 3HD LYS 39 -11.611 -1.144 -12.271 884 HE2 LYS 39 2HE LYS 39 -14.047 -1.113 -12.732 885 HE3 LYS 39 3HE LYS 39 -14.127 -2.835 -12.358 886 HZ1 LYS 39 1HZ LYS 39 -13.356 -2.332 -10.114 887 HZ2 LYS 39 2HZ LYS 39 -14.793 -1.517 -10.467 888 HZ3 LYS 39 3HZ LYS 39 -13.322 -0.684 -10.480 889 H ARG 40 H ARG 40 -11.350 -1.898 -17.064 890 HA ARG 40 HA ARG 40 -13.836 -0.551 -17.746 891 HB2 ARG 40 2HB ARG 40 -10.935 0.283 -18.163 892 HB3 ARG 40 3HB ARG 40 -12.315 1.270 -18.632 893 HG2 ARG 40 2HG ARG 40 -11.610 0.410 -15.810 894 HG3 ARG 40 3HG ARG 40 -11.400 2.022 -16.503 895 HD2 ARG 40 2HD ARG 40 -14.033 0.598 -15.988 896 HD3 ARG 40 3HD ARG 40 -13.386 1.992 -15.116 897 HE ARG 40 HE ARG 40 -13.510 2.785 -17.748 898 HH11 ARG 40 1HH1 ARG 40 -15.885 1.691 -15.385 899 HH12 ARG 40 2HH1 ARG 40 -17.174 2.602 -16.107 900 HH21 ARG 40 1HH2 ARG 40 -15.232 3.913 -18.704 901 HH22 ARG 40 2HH2 ARG 40 -16.809 3.849 -17.973 902 H ALA 41 H ALA 41 -11.042 -1.853 -19.548 903 HA ALA 41 HA ALA 41 -12.042 -1.250 -22.146 904 HB1 ALA 41 1HB ALA 41 -10.229 -2.717 -22.953 905 HB2 ALA 41 2HB ALA 41 -9.942 -3.291 -21.308 906 HB3 ALA 41 3HB ALA 41 -9.645 -1.599 -21.719 907 H GLU 42 H GLU 42 -11.857 -4.298 -20.279 908 HA GLU 42 HA GLU 42 -12.964 -6.276 -20.306 909 HB2 GLU 42 2HB GLU 42 -15.247 -4.617 -21.456 910 HB3 GLU 42 3HB GLU 42 -15.413 -6.241 -20.799 911 HG2 GLU 42 2HG GLU 42 -14.790 -5.447 -18.581 912 HG3 GLU 42 3HG GLU 42 -14.515 -3.825 -19.215 913 H LYS 43 H LYS 43 -11.499 -5.469 -22.764 914 HA LYS 43 HA LYS 43 -12.614 -5.939 -25.187 915 HB2 LYS 43 2HB LYS 43 -10.373 -6.492 -26.051 916 HB3 LYS 43 3HB LYS 43 -10.341 -5.121 -24.959 917 HG2 LYS 43 2HG LYS 43 -9.554 -7.929 -24.125 918 HG3 LYS 43 3HG LYS 43 -8.412 -6.738 -24.749 919 HD2 LYS 43 2HD LYS 43 -9.074 -5.212 -22.839 920 HD3 LYS 43 3HD LYS 43 -10.051 -6.537 -22.196 921 HE2 LYS 43 2HE LYS 43 -7.927 -6.489 -21.047 922 HE3 LYS 43 3HE LYS 43 -7.992 -7.935 -22.058 923 HZ1 LYS 43 1HZ LYS 43 -5.852 -6.748 -22.178 924 HZ2 LYS 43 2HZ LYS 43 -6.637 -5.404 -22.821 925 HZ3 LYS 43 3HZ LYS 43 -6.612 -6.853 -23.681 926 H ALA 44 H ALA 44 -11.873 -8.480 -22.889 927 HA ALA 44 HA ALA 44 -11.916 -10.733 -24.602 928 HB1 ALA 44 1HB ALA 44 -12.241 -12.056 -22.570 929 HB2 ALA 44 2HB ALA 44 -12.642 -10.581 -21.678 930 HB3 ALA 44 3HB ALA 44 -11.022 -10.804 -22.331 931 H LYS 45 H LYS 45 -14.481 -8.699 -23.710 932 HA LYS 45 HA LYS 45 -16.677 -10.587 -23.863 933 HB2 LYS 45 2HB LYS 45 -18.110 -8.686 -23.516 934 HB3 LYS 45 3HB LYS 45 -16.688 -8.399 -22.526 935 HG2 LYS 45 2HG LYS 45 -15.820 -6.935 -24.439 936 HG3 LYS 45 3HG LYS 45 -17.429 -7.053 -25.143 937 HD2 LYS 45 2HD LYS 45 -16.885 -5.973 -22.348 938 HD3 LYS 45 3HD LYS 45 -16.957 -4.953 -23.779 939 HE2 LYS 45 2HE LYS 45 -19.068 -4.816 -22.625 940 HE3 LYS 45 3HE LYS 45 -19.320 -5.691 -24.130 941 HZ1 LYS 45 1HZ LYS 45 -19.457 -7.731 -22.945 942 HZ2 LYS 45 2HZ LYS 45 -20.465 -6.629 -22.157 943 HZ3 LYS 45 3HZ LYS 45 -18.960 -7.015 -21.498 944 H ASN 46 H ASN 46 -14.625 -9.505 -26.148 945 HA ASN 46 HA ASN 46 -14.495 -9.284 -28.347 946 HB2 ASN 46 2HB ASN 46 -15.931 -11.377 -28.403 947 HB3 ASN 46 3HB ASN 46 -17.346 -10.351 -28.608 948 HD21 ASN 46 1HD2 ASN 46 -14.360 -11.457 -30.092 949 HD22 ASN 46 2HD2 ASN 46 -14.787 -11.032 -31.711 950 H SER 47 H SER 47 -14.426 -7.098 -27.552 951 HA SER 47 HA SER 47 -16.681 -5.312 -28.054 952 HB2 SER 47 2HB SER 47 -15.076 -3.586 -27.132 953 HB3 SER 47 3HB SER 47 -15.368 -4.941 -26.038 954 HG SER 47 HG SER 47 -13.166 -4.799 -27.820 955 H LYS 48 H LYS 48 -16.214 -3.237 -29.286 956 HA LYS 48 HA LYS 48 -15.389 -3.902 -31.943 957 HB2 LYS 48 2HB LYS 48 -16.393 -1.318 -30.695 958 HB3 LYS 48 3HB LYS 48 -15.908 -1.407 -32.384 959 HG2 LYS 48 2HG LYS 48 -18.140 -2.997 -31.076 960 HG3 LYS 48 3HG LYS 48 -18.337 -1.620 -32.162 961 HD2 LYS 48 2HD LYS 48 -17.099 -4.302 -32.905 962 HD3 LYS 48 3HD LYS 48 -18.728 -3.776 -33.320 963 HE2 LYS 48 2HE LYS 48 -17.841 -1.988 -34.729 964 HE3 LYS 48 3HE LYS 48 -16.189 -2.381 -34.238 965 HZ1 LYS 48 1HZ LYS 48 -16.789 -3.298 -36.425 966 HZ2 LYS 48 2HZ LYS 48 -17.992 -4.237 -35.705 967 HZ3 LYS 48 3HZ LYS 48 -16.372 -4.509 -35.322 968 H LYS 49 H LYS 49 -13.283 -4.358 -32.032 969 HA LYS 49 HA LYS 49 -11.324 -2.151 -31.679 970 HB2 LYS 49 2HB LYS 49 -10.920 -4.176 -30.220 971 HB3 LYS 49 3HB LYS 49 -10.829 -5.174 -31.663 972 HG2 LYS 49 2HG LYS 49 -8.891 -3.570 -32.381 973 HG3 LYS 49 3HG LYS 49 -8.881 -3.075 -30.689 974 HD2 LYS 49 2HD LYS 49 -7.187 -4.789 -31.035 975 HD3 LYS 49 3HD LYS 49 -8.472 -5.456 -30.028 976 HE2 LYS 49 2HE LYS 49 -9.369 -6.710 -31.892 977 HE3 LYS 49 3HE LYS 49 -8.290 -5.896 -33.027 978 HZ1 LYS 49 1HZ LYS 49 -6.414 -6.980 -32.057 979 HZ2 LYS 49 2HZ LYS 49 -7.567 -8.165 -32.399 980 HZ3 LYS 49 3HZ LYS 49 -7.347 -7.634 -30.809 981 H ALA 50 H ALA 50 -10.005 -1.721 -33.507 982 HA ALA 50 HA ALA 50 -10.696 -2.539 -36.121 983 HB1 ALA 50 1HB ALA 50 -8.493 -1.603 -36.785 984 HB2 ALA 50 2HB ALA 50 -8.022 -1.511 -35.086 985 HB3 ALA 50 3HB ALA 50 -9.351 -0.519 -35.688 986 H ILE 51 H ILE 51 -9.983 -4.270 -37.382 987 HA ILE 51 HA ILE 51 -9.407 -6.652 -35.966 988 HB ILE 51 HB ILE 51 -9.282 -7.754 -38.281 989 HG12 ILE 51 2HG1 ILE 51 -10.362 -6.271 -40.142 990 HG13 ILE 51 3HG1 ILE 51 -9.830 -4.892 -39.188 991 HG21 ILE 51 1HG2 ILE 51 -11.715 -7.540 -38.665 992 HG22 ILE 51 2HG2 ILE 51 -11.763 -6.139 -37.591 993 HG23 ILE 51 3HG2 ILE 51 -11.334 -7.727 -36.950 994 HD11 ILE 51 1HD1 ILE 51 -8.050 -7.018 -40.384 995 HD12 ILE 51 2HD1 ILE 51 -7.504 -5.607 -39.474 996 HD13 ILE 51 3HD1 ILE 51 -8.315 -5.398 -41.025 997 H GLU 52 H GLU 52 -7.244 -4.374 -37.216 998 HA GLU 52 HA GLU 52 -4.913 -6.095 -37.333 999 HB2 GLU 52 2HB GLU 52 -3.656 -3.994 -37.679 1000 HB3 GLU 52 3HB GLU 52 -5.043 -4.076 -38.759 1001 HG2 GLU 52 2HG GLU 52 -6.295 -2.583 -37.163 1002 HG3 GLU 52 3HG GLU 52 -4.812 -2.420 -36.226 1003 H ASP 53 H ASP 53 -3.208 -6.106 -35.821 1004 HA ASP 53 HA ASP 53 -3.742 -5.030 -33.101 1005 HB2 ASP 53 2HB ASP 53 -2.243 -7.545 -33.961 1006 HB3 ASP 53 3HB ASP 53 -2.126 -6.878 -32.333 1007 H GLY 54 H GLY 54 -2.146 -3.862 -32.109 1008 HA2 GLY 54 2HA GLY 54 -0.183 -2.541 -33.780 1009 HA3 GLY 54 3HA GLY 54 -0.563 -2.186 -32.102 1010 H VAL 55 H VAL 55 0.865 -4.804 -34.023 1011 HA VAL 55 HA VAL 55 2.636 -5.640 -31.887 1012 HB VAL 55 HB VAL 55 1.577 -7.362 -33.275 1013 HG11 VAL 55 1HG1 VAL 55 1.293 -6.146 -35.377 1014 HG12 VAL 55 2HG1 VAL 55 2.100 -7.691 -35.662 1015 HG13 VAL 55 3HG1 VAL 55 3.034 -6.190 -35.669 1016 HG21 VAL 55 1HG2 VAL 55 4.579 -7.278 -33.769 1017 HG22 VAL 55 2HG2 VAL 55 3.560 -8.713 -33.898 1018 HG23 VAL 55 3HG2 VAL 55 3.772 -7.921 -32.337 1019 HA PRO 56 HA PRO 56 5.934 -2.907 -33.507 1020 HB2 PRO 56 2HB PRO 56 7.842 -3.378 -31.636 1021 HB3 PRO 56 3HB PRO 56 6.370 -2.474 -31.226 1022 HG2 PRO 56 2HG PRO 56 7.026 -5.347 -30.687 1023 HG3 PRO 56 3HG PRO 56 6.259 -4.148 -29.621 1024 HD2 PRO 56 2HD PRO 56 4.839 -6.032 -31.065 1025 HD3 PRO 56 3HD PRO 56 4.163 -4.476 -30.540 1026 H GLN 57 H GLN 57 8.468 -3.312 -33.793 1027 HA GLN 57 HA GLN 57 8.739 -5.317 -35.802 1028 HB2 GLN 57 2HB GLN 57 10.987 -3.727 -34.476 1029 HB3 GLN 57 3HB GLN 57 11.103 -4.623 -35.983 1030 HG2 GLN 57 2HG GLN 57 10.967 -2.359 -36.616 1031 HG3 GLN 57 3HG GLN 57 9.361 -3.008 -36.928 1032 HE21 GLN 57 1HE2 GLN 57 11.259 -0.999 -34.748 1033 HE22 GLN 57 2HE2 GLN 57 9.921 -0.124 -34.094 1034 HA PRO 58 HA PRO 58 9.654 -8.994 -33.481 1035 HB2 PRO 58 2HB PRO 58 11.781 -10.076 -35.029 1036 HB3 PRO 58 3HB PRO 58 10.048 -10.313 -35.320 1037 HG2 PRO 58 2HG PRO 58 11.913 -8.348 -36.593 1038 HG3 PRO 58 3HG PRO 58 10.592 -9.289 -37.325 1039 HD2 PRO 58 2HD PRO 58 10.247 -6.703 -36.779 1040 HD3 PRO 58 3HD PRO 58 8.926 -7.855 -36.479 1041 H GLU 59 H GLU 59 12.866 -7.821 -34.621 1042 HA GLU 59 HA GLU 59 13.970 -8.146 -31.914 1043 HB2 GLU 59 2HB GLU 59 15.386 -7.497 -34.541 1044 HB3 GLU 59 3HB GLU 59 16.176 -7.807 -33.000 1045 HG2 GLU 59 2HG GLU 59 14.537 -9.791 -34.595 1046 HG3 GLU 59 3HG GLU 59 16.295 -9.750 -34.481 1047 H ALA 60 H ALA 60 14.243 -5.713 -34.523 1048 HA ALA 60 HA ALA 60 14.411 -3.472 -34.598 1049 HB1 ALA 60 1HB ALA 60 12.218 -3.510 -33.444 1050 HB2 ALA 60 2HB ALA 60 13.170 -2.089 -33.019 1051 HB3 ALA 60 3HB ALA 60 13.043 -3.439 -31.887 1052 H LEU 61 H LEU 61 16.514 -5.162 -33.216 1053 HA LEU 61 HA LEU 61 17.785 -3.238 -31.390 1054 HB2 LEU 61 2HB LEU 61 17.711 -5.631 -30.714 1055 HB3 LEU 61 3HB LEU 61 18.617 -6.070 -32.151 1056 HG LEU 61 HG LEU 61 20.581 -4.756 -31.295 1057 HD11 LEU 61 1HD1 LEU 61 18.938 -4.389 -28.775 1058 HD12 LEU 61 2HD1 LEU 61 19.418 -3.120 -29.904 1059 HD13 LEU 61 3HD1 LEU 61 20.643 -3.976 -28.975 1060 HD21 LEU 61 1HD2 LEU 61 21.260 -6.336 -29.537 1061 HD22 LEU 61 2HD2 LEU 61 20.479 -7.167 -30.877 1062 HD23 LEU 61 3HD2 LEU 61 19.590 -6.894 -29.376 1063 H GLU 62 H GLU 62 18.938 -5.267 -34.125 1064 HA GLU 62 HA GLU 62 20.345 -3.102 -35.406 1065 HB2 GLU 62 2HB GLU 62 21.943 -3.507 -33.603 1066 HB3 GLU 62 3HB GLU 62 21.911 -5.241 -33.888 1067 HG2 GLU 62 2HG GLU 62 23.990 -4.231 -34.708 1068 HG3 GLU 62 3HG GLU 62 23.067 -4.947 -36.024 Start of MODEL 12 1 H1 MET 1 1H MET 1 6.509 -11.435 -6.542 2 H2 MET 1 2H MET 1 4.854 -11.503 -6.212 3 H3 MET 1 3H MET 1 5.541 -10.070 -6.776 4 HA MET 1 HA MET 1 6.052 -11.044 -8.866 5 HB2 MET 1 2HB MET 1 5.342 -13.347 -9.417 6 HB3 MET 1 3HB MET 1 6.474 -13.345 -8.077 7 HG2 MET 1 2HG MET 1 4.617 -13.689 -6.494 8 HG3 MET 1 3HG MET 1 3.472 -13.683 -7.838 9 HE1 MET 1 1HE MET 1 3.595 -16.022 -5.690 10 HE2 MET 1 2HE MET 1 3.495 -17.441 -6.731 11 HE3 MET 1 3HE MET 1 2.485 -16.035 -7.064 12 H GLU 2 H GLU 2 4.648 -10.338 -10.360 13 HA GLU 2 HA GLU 2 1.860 -10.889 -10.392 14 HB2 GLU 2 2HB GLU 2 1.957 -9.054 -8.669 15 HB3 GLU 2 3HB GLU 2 2.646 -7.979 -9.881 16 HG2 GLU 2 2HG GLU 2 0.597 -8.175 -11.217 17 HG3 GLU 2 3HG GLU 2 -0.097 -9.274 -10.025 18 H GLU 3 H GLU 3 2.332 -11.621 -12.426 19 HA GLU 3 HA GLU 3 3.676 -9.923 -14.405 20 HB2 GLU 3 2HB GLU 3 3.749 -11.973 -15.789 21 HB3 GLU 3 3HB GLU 3 4.429 -12.258 -14.191 22 HG2 GLU 3 2HG GLU 3 2.337 -13.359 -13.490 23 HG3 GLU 3 3HG GLU 3 1.647 -13.073 -15.087 24 H LEU 4 H LEU 4 2.744 -10.230 -16.720 25 HA LEU 4 HA LEU 4 0.073 -9.169 -16.860 26 HB2 LEU 4 2HB LEU 4 2.006 -10.030 -19.050 27 HB3 LEU 4 3HB LEU 4 0.487 -9.200 -19.346 28 HG LEU 4 HG LEU 4 2.846 -8.032 -17.813 29 HD11 LEU 4 1HD1 LEU 4 3.181 -6.584 -19.761 30 HD12 LEU 4 2HD1 LEU 4 1.890 -7.422 -20.627 31 HD13 LEU 4 3HD1 LEU 4 3.366 -8.286 -20.185 32 HD21 LEU 4 1HD2 LEU 4 0.728 -7.109 -17.008 33 HD22 LEU 4 2HD2 LEU 4 0.243 -6.712 -18.660 34 HD23 LEU 4 3HD2 LEU 4 1.626 -5.898 -17.922 35 H SER 5 H SER 5 -1.420 -10.109 -18.588 36 HA SER 5 HA SER 5 -1.476 -12.972 -18.966 37 HB2 SER 5 2HB SER 5 -2.399 -12.779 -16.641 38 HB3 SER 5 3HB SER 5 -3.634 -11.664 -17.226 39 HG SER 5 HG SER 5 -4.754 -13.392 -17.622 40 H GLY 6 H GLY 6 -2.457 -13.346 -20.902 41 HA2 GLY 6 2HA GLY 6 -3.326 -11.278 -22.600 42 HA3 GLY 6 3HA GLY 6 -3.589 -12.992 -22.884 43 H LYS 7 H LYS 7 -5.143 -13.623 -20.721 44 HA LYS 7 HA LYS 7 -7.739 -12.380 -21.302 45 HB2 LYS 7 2HB LYS 7 -6.899 -14.960 -19.889 46 HB3 LYS 7 3HB LYS 7 -8.554 -14.363 -19.826 47 HG2 LYS 7 2HG LYS 7 -8.456 -16.034 -21.542 48 HG3 LYS 7 3HG LYS 7 -8.636 -14.470 -22.340 49 HD2 LYS 7 2HD LYS 7 -6.195 -14.458 -22.822 50 HD3 LYS 7 3HD LYS 7 -6.039 -16.031 -22.040 51 HE2 LYS 7 2HE LYS 7 -7.659 -15.436 -24.539 52 HE3 LYS 7 3HE LYS 7 -6.100 -16.256 -24.479 53 HZ1 LYS 7 1HZ LYS 7 -7.148 -18.003 -23.140 54 HZ2 LYS 7 2HZ LYS 7 -7.845 -17.863 -24.669 55 HZ3 LYS 7 3HZ LYS 7 -8.644 -17.245 -23.317 56 HA PRO 8 HA PRO 8 -7.770 -10.064 -17.449 57 HB2 PRO 8 2HB PRO 8 -10.380 -10.103 -16.646 58 HB3 PRO 8 3HB PRO 8 -9.896 -9.298 -18.159 59 HG2 PRO 8 2HG PRO 8 -11.050 -12.052 -17.805 60 HG3 PRO 8 3HG PRO 8 -11.530 -10.768 -18.943 61 HD2 PRO 8 2HD PRO 8 -9.902 -12.788 -19.707 62 HD3 PRO 8 3HD PRO 8 -9.721 -11.145 -20.359 63 H LEU 9 H LEU 9 -8.041 -10.210 -15.076 64 HA LEU 9 HA LEU 9 -7.230 -12.735 -14.033 65 HB2 LEU 9 2HB LEU 9 -7.499 -11.459 -11.763 66 HB3 LEU 9 3HB LEU 9 -6.258 -10.963 -12.893 67 HG LEU 9 HG LEU 9 -7.712 -9.046 -13.632 68 HD11 LEU 9 1HD1 LEU 9 -9.565 -9.870 -11.385 69 HD12 LEU 9 2HD1 LEU 9 -9.929 -9.898 -13.111 70 HD13 LEU 9 3HD1 LEU 9 -9.653 -8.360 -12.298 71 HD21 LEU 9 1HD2 LEU 9 -7.376 -7.653 -11.648 72 HD22 LEU 9 2HD2 LEU 9 -5.985 -8.696 -11.931 73 HD23 LEU 9 3HD2 LEU 9 -7.139 -9.096 -10.654 74 H SER 10 H SER 10 -8.282 -13.967 -12.278 75 HA SER 10 HA SER 10 -11.001 -14.637 -12.797 76 HB2 SER 10 2HB SER 10 -9.310 -15.442 -10.385 77 HB3 SER 10 3HB SER 10 -10.751 -16.272 -10.985 78 HG SER 10 HG SER 10 -9.636 -16.876 -12.807 79 H TYR 11 H TYR 11 -12.700 -14.736 -11.070 80 HA TYR 11 HA TYR 11 -13.359 -12.186 -10.095 81 HB2 TYR 11 2HB TYR 11 -15.098 -13.868 -10.609 82 HB3 TYR 11 3HB TYR 11 -14.512 -14.908 -9.318 83 HD1 TYR 11 HD1 TYR 11 -16.062 -11.548 -9.942 84 HD2 TYR 11 HD2 TYR 11 -15.406 -14.684 -7.116 85 HE1 TYR 11 HE1 TYR 11 -17.547 -10.419 -8.335 86 HE2 TYR 11 HE2 TYR 11 -16.885 -13.553 -5.515 87 HH TYR 11 HH TYR 11 -18.883 -10.969 -6.318 88 H ALA 12 H ALA 12 -11.978 -15.019 -8.492 89 HA ALA 12 HA ALA 12 -11.841 -14.051 -5.849 90 HB1 ALA 12 1HB ALA 12 -10.200 -15.854 -5.485 91 HB2 ALA 12 2HB ALA 12 -10.043 -16.079 -7.232 92 HB3 ALA 12 3HB ALA 12 -11.574 -16.433 -6.428 93 H GLU 13 H GLU 13 -9.657 -13.713 -8.638 94 HA GLU 13 HA GLU 13 -7.506 -12.486 -7.220 95 HB2 GLU 13 2HB GLU 13 -8.122 -12.294 -10.198 96 HB3 GLU 13 3HB GLU 13 -6.582 -11.917 -9.430 97 HG2 GLU 13 2HG GLU 13 -7.880 -14.637 -9.712 98 HG3 GLU 13 3HG GLU 13 -6.408 -14.066 -10.490 99 H LYS 14 H LYS 14 -10.359 -11.274 -8.878 100 HA LYS 14 HA LYS 14 -9.688 -8.512 -8.978 101 HB2 LYS 14 2HB LYS 14 -11.369 -9.617 -10.448 102 HB3 LYS 14 3HB LYS 14 -12.411 -9.901 -9.072 103 HG2 LYS 14 2HG LYS 14 -11.649 -7.065 -9.803 104 HG3 LYS 14 3HG LYS 14 -12.883 -7.901 -10.738 105 HD2 LYS 14 2HD LYS 14 -12.982 -7.337 -7.748 106 HD3 LYS 14 3HD LYS 14 -13.904 -6.506 -9.004 107 HE2 LYS 14 2HE LYS 14 -15.022 -8.667 -9.575 108 HE3 LYS 14 3HE LYS 14 -14.152 -9.436 -8.242 109 HZ1 LYS 14 1HZ LYS 14 -16.068 -7.173 -7.960 110 HZ2 LYS 14 2HZ LYS 14 -15.264 -7.944 -6.692 111 HZ3 LYS 14 3HZ LYS 14 -16.410 -8.785 -7.597 112 H GLU 15 H GLU 15 -11.544 -10.499 -6.668 113 HA GLU 15 HA GLU 15 -12.344 -8.299 -5.003 114 HB2 GLU 15 2HB GLU 15 -13.239 -9.971 -3.464 115 HB3 GLU 15 3HB GLU 15 -13.667 -10.385 -5.117 116 HG2 GLU 15 2HG GLU 15 -11.870 -12.067 -5.169 117 HG3 GLU 15 3HG GLU 15 -11.439 -11.657 -3.512 118 H LYS 16 H LYS 16 -9.695 -10.735 -4.787 119 HA LYS 16 HA LYS 16 -8.699 -9.758 -2.305 120 HB2 LYS 16 2HB LYS 16 -6.768 -11.119 -2.604 121 HB3 LYS 16 3HB LYS 16 -8.134 -12.017 -3.247 122 HG2 LYS 16 2HG LYS 16 -7.455 -11.369 -5.551 123 HG3 LYS 16 3HG LYS 16 -6.065 -10.515 -4.881 124 HD2 LYS 16 2HD LYS 16 -5.451 -12.745 -5.770 125 HD3 LYS 16 3HD LYS 16 -5.124 -12.614 -4.041 126 HE2 LYS 16 2HE LYS 16 -7.105 -13.917 -3.523 127 HE3 LYS 16 3HE LYS 16 -7.600 -13.910 -5.220 128 HZ1 LYS 16 1HZ LYS 16 -5.655 -15.211 -5.778 129 HZ2 LYS 16 2HZ LYS 16 -6.554 -16.000 -4.585 130 HZ3 LYS 16 3HZ LYS 16 -5.130 -15.196 -4.167 131 H LEU 17 H LEU 17 -8.301 -8.713 -5.607 132 HA LEU 17 HA LEU 17 -5.980 -7.094 -5.190 133 HB2 LEU 17 2HB LEU 17 -7.155 -8.056 -7.426 134 HB3 LEU 17 3HB LEU 17 -7.887 -6.468 -7.445 135 HG LEU 17 HG LEU 17 -5.803 -6.655 -8.845 136 HD11 LEU 17 1HD1 LEU 17 -5.536 -4.685 -6.542 137 HD12 LEU 17 2HD1 LEU 17 -6.499 -4.449 -8.004 138 HD13 LEU 17 3HD1 LEU 17 -4.748 -4.569 -8.121 139 HD21 LEU 17 1HD2 LEU 17 -4.354 -7.009 -6.182 140 HD22 LEU 17 2HD2 LEU 17 -3.607 -6.862 -7.774 141 HD23 LEU 17 3HD2 LEU 17 -4.588 -8.270 -7.396 142 H LYS 18 H LYS 18 -9.494 -6.302 -5.412 143 HA LYS 18 HA LYS 18 -9.126 -3.516 -5.029 144 HB2 LYS 18 2HB LYS 18 -11.587 -3.400 -4.660 145 HB3 LYS 18 3HB LYS 18 -11.149 -4.298 -6.102 146 HG2 LYS 18 2HG LYS 18 -12.851 -5.606 -5.261 147 HG3 LYS 18 3HG LYS 18 -11.438 -6.409 -4.580 148 HD2 LYS 18 2HD LYS 18 -11.843 -5.102 -2.440 149 HD3 LYS 18 3HD LYS 18 -13.336 -4.500 -3.156 150 HE2 LYS 18 2HE LYS 18 -14.183 -6.806 -3.331 151 HE3 LYS 18 3HE LYS 18 -12.679 -7.415 -2.634 152 HZ1 LYS 18 1HZ LYS 18 -14.641 -5.638 -1.273 153 HZ2 LYS 18 2HZ LYS 18 -13.185 -6.159 -0.600 154 HZ3 LYS 18 3HZ LYS 18 -14.397 -7.278 -0.955 155 H GLU 19 H GLU 19 -9.635 -6.194 -2.724 156 HA GLU 19 HA GLU 19 -9.834 -4.450 -0.427 157 HB2 GLU 19 2HB GLU 19 -9.842 -6.423 0.942 158 HB3 GLU 19 3HB GLU 19 -10.798 -6.778 -0.491 159 HG2 GLU 19 2HG GLU 19 -8.871 -7.993 -1.461 160 HG3 GLU 19 3HG GLU 19 -7.946 -7.658 -0.004 161 H LYS 20 H LYS 20 -7.193 -6.039 -2.175 162 HA LYS 20 HA LYS 20 -5.084 -5.503 -0.408 163 HB2 LYS 20 2HB LYS 20 -4.187 -6.750 -2.113 164 HB3 LYS 20 3HB LYS 20 -5.276 -6.095 -3.323 165 HG2 LYS 20 2HG LYS 20 -3.853 -4.184 -3.703 166 HG3 LYS 20 3HG LYS 20 -2.868 -4.551 -2.285 167 HD2 LYS 20 2HD LYS 20 -3.044 -6.302 -4.765 168 HD3 LYS 20 3HD LYS 20 -1.768 -5.123 -4.461 169 HE2 LYS 20 2HE LYS 20 -1.262 -6.413 -2.311 170 HE3 LYS 20 3HE LYS 20 -2.353 -7.663 -2.916 171 HZ1 LYS 20 1HZ LYS 20 0.118 -6.693 -4.269 172 HZ2 LYS 20 2HZ LYS 20 -0.938 -7.854 -4.897 173 HZ3 LYS 20 3HZ LYS 20 -0.074 -8.184 -3.486 174 H LEU 21 H LEU 21 -6.525 -3.504 -2.948 175 HA LEU 21 HA LEU 21 -4.836 -1.284 -2.848 176 HB2 LEU 21 2HB LEU 21 -7.813 -1.344 -3.512 177 HB3 LEU 21 3HB LEU 21 -6.703 -0.046 -3.941 178 HG LEU 21 HG LEU 21 -6.552 -2.897 -4.981 179 HD11 LEU 21 1HD1 LEU 21 -7.458 -0.393 -6.406 180 HD12 LEU 21 2HD1 LEU 21 -8.481 -1.741 -5.894 181 HD13 LEU 21 3HD1 LEU 21 -7.251 -1.989 -7.132 182 HD21 LEU 21 1HD2 LEU 21 -4.845 -2.075 -6.522 183 HD22 LEU 21 2HD2 LEU 21 -4.335 -1.908 -4.845 184 HD23 LEU 21 3HD2 LEU 21 -4.886 -0.490 -5.745 185 H ALA 22 H ALA 22 -7.951 -1.839 -1.215 186 HA ALA 22 HA ALA 22 -8.025 0.540 0.321 187 HB1 ALA 22 1HB ALA 22 -9.842 -0.578 1.564 188 HB2 ALA 22 2HB ALA 22 -9.394 -2.131 0.845 189 HB3 ALA 22 3HB ALA 22 -10.015 -0.832 -0.174 190 H PHE 23 H PHE 23 -6.676 -2.671 1.024 191 HA PHE 23 HA PHE 23 -6.339 -2.336 3.835 192 HB2 PHE 23 2HB PHE 23 -6.421 -4.576 2.825 193 HB3 PHE 23 3HB PHE 23 -4.953 -4.259 1.912 194 HD1 PHE 23 HD1 PHE 23 -6.258 -4.575 5.407 195 HD2 PHE 23 HD2 PHE 23 -2.847 -4.836 2.845 196 HE1 PHE 23 HE1 PHE 23 -4.929 -5.502 7.260 197 HE2 PHE 23 HE2 PHE 23 -1.525 -5.750 4.696 198 HZ PHE 23 HZ PHE 23 -2.562 -6.085 6.907 199 H LEU 24 H LEU 24 -3.945 -2.262 1.182 200 HA LEU 24 HA LEU 24 -1.822 -1.392 2.824 201 HB2 LEU 24 2HB LEU 24 -0.534 -1.059 0.795 202 HB3 LEU 24 3HB LEU 24 -1.382 -2.586 0.766 203 HG LEU 24 HG LEU 24 -3.106 -1.385 -0.783 204 HD11 LEU 24 1HD1 LEU 24 -2.381 0.920 -0.425 205 HD12 LEU 24 2HD1 LEU 24 -2.247 0.473 -2.116 206 HD13 LEU 24 3HD1 LEU 24 -0.799 0.554 -1.113 207 HD21 LEU 24 1HD2 LEU 24 -1.591 -3.136 -1.591 208 HD22 LEU 24 2HD2 LEU 24 -0.306 -1.947 -1.830 209 HD23 LEU 24 3HD2 LEU 24 -1.781 -1.865 -2.798 210 H LYS 25 H LYS 25 -4.309 0.333 1.047 211 HA LYS 25 HA LYS 25 -3.223 2.941 1.072 212 HB2 LYS 25 2HB LYS 25 -5.116 2.366 -0.324 213 HB3 LYS 25 3HB LYS 25 -6.107 1.965 1.073 214 HG2 LYS 25 2HG LYS 25 -6.146 4.334 1.744 215 HG3 LYS 25 3HG LYS 25 -5.104 4.754 0.379 216 HD2 LYS 25 2HD LYS 25 -7.912 3.593 0.210 217 HD3 LYS 25 3HD LYS 25 -7.456 5.261 -0.142 218 HE2 LYS 25 2HE LYS 25 -6.048 4.468 -2.016 219 HE3 LYS 25 3HE LYS 25 -6.522 2.805 -1.659 220 HZ1 LYS 25 1HZ LYS 25 -8.799 3.356 -2.187 221 HZ2 LYS 25 2HZ LYS 25 -7.794 3.775 -3.482 222 HZ3 LYS 25 3HZ LYS 25 -8.387 4.969 -2.452 223 H LYS 26 H LYS 26 -5.478 1.357 3.369 224 HA LYS 26 HA LYS 26 -5.768 3.651 5.028 225 HB2 LYS 26 2HB LYS 26 -6.917 2.179 6.628 226 HB3 LYS 26 3HB LYS 26 -7.498 1.911 4.990 227 HG2 LYS 26 2HG LYS 26 -6.165 -0.141 4.826 228 HG3 LYS 26 3HG LYS 26 -5.518 0.128 6.447 229 HD2 LYS 26 2HD LYS 26 -7.788 -0.113 7.400 230 HD3 LYS 26 3HD LYS 26 -8.455 -0.343 5.779 231 HE2 LYS 26 2HE LYS 26 -7.127 -2.404 5.517 232 HE3 LYS 26 3HE LYS 26 -6.434 -2.171 7.127 233 HZ1 LYS 26 1HZ LYS 26 -8.647 -2.381 8.068 234 HZ2 LYS 26 2HZ LYS 26 -8.262 -3.748 7.157 235 HZ3 LYS 26 3HZ LYS 26 -9.314 -2.591 6.528 236 H GLU 27 H GLU 27 -3.705 0.717 5.260 237 HA GLU 27 HA GLU 27 -2.518 1.412 7.749 238 HB2 GLU 27 2HB GLU 27 -0.937 -0.333 7.414 239 HB3 GLU 27 3HB GLU 27 -2.443 -0.905 6.706 240 HG2 GLU 27 2HG GLU 27 -1.623 -0.458 4.469 241 HG3 GLU 27 3HG GLU 27 -0.167 0.298 5.107 242 H TYR 28 H TYR 28 -1.684 2.164 4.372 243 HA TYR 28 HA TYR 28 0.850 3.334 4.649 244 HB2 TYR 28 2HB TYR 28 0.001 2.869 2.437 245 HB3 TYR 28 3HB TYR 28 -1.434 3.844 2.691 246 HD1 TYR 28 HD1 TYR 28 2.298 4.122 2.340 247 HD2 TYR 28 HD2 TYR 28 -1.472 6.084 1.890 248 HE1 TYR 28 HE1 TYR 28 3.411 6.013 1.247 249 HE2 TYR 28 HE2 TYR 28 -0.354 7.978 0.790 250 HH TYR 28 HH TYR 28 1.895 8.996 0.728 251 H SER 29 H SER 29 -2.375 4.830 4.718 252 HA SER 29 HA SER 29 -1.482 7.491 4.984 253 HB2 SER 29 2HB SER 29 -4.173 6.283 5.737 254 HB3 SER 29 3HB SER 29 -3.845 8.008 5.514 255 HG SER 29 HG SER 29 -3.367 6.063 3.509 256 H ARG 30 H ARG 30 -2.522 5.073 7.359 257 HA ARG 30 HA ARG 30 -2.360 6.771 9.664 258 HB2 ARG 30 2HB ARG 30 -2.433 3.728 9.437 259 HB3 ARG 30 3HB ARG 30 -2.624 4.628 10.942 260 HG2 ARG 30 2HG ARG 30 -4.673 5.692 10.057 261 HG3 ARG 30 3HG ARG 30 -4.480 4.789 8.546 262 HD2 ARG 30 2HD ARG 30 -6.118 3.663 9.936 263 HD3 ARG 30 3HD ARG 30 -4.666 2.658 9.845 264 HE ARG 30 HE ARG 30 -4.071 3.735 12.079 265 HH11 ARG 30 1HH1 ARG 30 -7.420 3.113 11.127 266 HH12 ARG 30 2HH1 ARG 30 -7.979 2.987 12.767 267 HH21 ARG 30 1HH2 ARG 30 -4.818 3.583 14.196 268 HH22 ARG 30 2HH2 ARG 30 -6.494 3.257 14.506 269 H THR 31 H THR 31 -0.132 4.418 8.184 270 HA THR 31 HA THR 31 1.670 4.445 10.426 271 HB THR 31 HB THR 31 1.271 2.372 8.988 272 HG1 THR 31 HG1 THR 31 3.080 1.704 9.843 273 HG21 THR 31 1HG2 THR 31 2.712 2.030 7.026 274 HG22 THR 31 2HG2 THR 31 3.285 3.696 7.129 275 HG23 THR 31 3HG2 THR 31 1.598 3.366 6.736 276 H LEU 32 H LEU 32 1.540 5.963 7.261 277 HA LEU 32 HA LEU 32 4.109 7.195 7.347 278 HB2 LEU 32 2HB LEU 32 2.718 6.958 5.280 279 HB3 LEU 32 3HB LEU 32 1.586 8.141 5.899 280 HG LEU 32 HG LEU 32 4.501 8.927 5.460 281 HD11 LEU 32 1HD1 LEU 32 2.377 8.951 3.288 282 HD12 LEU 32 2HD1 LEU 32 3.790 7.896 3.346 283 HD13 LEU 32 3HD1 LEU 32 4.003 9.635 3.172 284 HD21 LEU 32 1HD2 LEU 32 3.563 11.166 5.078 285 HD22 LEU 32 2HD2 LEU 32 3.076 10.537 6.647 286 HD23 LEU 32 3HD2 LEU 32 1.928 10.533 5.308 287 H ALA 33 H ALA 33 0.825 8.202 8.320 288 HA ALA 33 HA ALA 33 1.346 10.781 9.215 289 HB1 ALA 33 1HB ALA 33 -0.915 9.866 8.930 290 HB2 ALA 33 2HB ALA 33 -0.713 10.557 10.541 291 HB3 ALA 33 3HB ALA 33 -0.677 8.803 10.321 292 H ARG 34 H ARG 34 1.374 7.755 11.119 293 HA ARG 34 HA ARG 34 2.108 8.986 13.580 294 HB2 ARG 34 2HB ARG 34 2.100 6.812 14.523 295 HB3 ARG 34 3HB ARG 34 0.853 6.786 13.286 296 HG2 ARG 34 2HG ARG 34 2.725 5.744 11.771 297 HG3 ARG 34 3HG ARG 34 3.545 5.428 13.299 298 HD2 ARG 34 2HD ARG 34 0.842 4.386 12.407 299 HD3 ARG 34 3HD ARG 34 2.324 3.462 12.662 300 HE ARG 34 HE ARG 34 1.850 4.541 15.109 301 HH11 ARG 34 1HH1 ARG 34 -0.122 2.658 12.891 302 HH12 ARG 34 2HH1 ARG 34 -1.058 1.914 14.151 303 HH21 ARG 34 1HH2 ARG 34 0.605 3.552 16.773 304 HH22 ARG 34 2HH2 ARG 34 -0.646 2.410 16.354 305 H LEU 35 H LEU 35 3.944 7.460 10.970 306 HA LEU 35 HA LEU 35 6.527 7.410 12.076 307 HB2 LEU 35 2HB LEU 35 6.009 6.368 9.902 308 HB3 LEU 35 3HB LEU 35 5.634 7.935 9.213 309 HG LEU 35 HG LEU 35 8.050 8.585 9.438 310 HD11 LEU 35 1HD1 LEU 35 8.508 5.709 10.271 311 HD12 LEU 35 2HD1 LEU 35 8.712 7.139 11.287 312 HD13 LEU 35 3HD1 LEU 35 9.755 6.902 9.890 313 HD21 LEU 35 1HD2 LEU 35 7.567 6.064 7.818 314 HD22 LEU 35 2HD2 LEU 35 8.869 7.230 7.565 315 HD23 LEU 35 3HD2 LEU 35 7.196 7.717 7.312 316 H GLN 36 H GLN 36 4.728 9.996 10.386 317 HA GLN 36 HA GLN 36 6.781 11.956 10.471 318 HB2 GLN 36 2HB GLN 36 3.770 12.438 10.289 319 HB3 GLN 36 3HB GLN 36 5.026 13.625 9.944 320 HG2 GLN 36 2HG GLN 36 4.413 11.115 8.378 321 HG3 GLN 36 3HG GLN 36 4.139 12.772 7.869 322 HE21 GLN 36 1HE2 GLN 36 5.722 10.542 6.692 323 HE22 GLN 36 2HE2 GLN 36 7.299 11.196 6.437 324 H ARG 37 H ARG 37 4.058 11.199 12.646 325 HA ARG 37 HA ARG 37 4.324 13.398 14.402 326 HB2 ARG 37 2HB ARG 37 3.254 10.597 14.988 327 HB3 ARG 37 3HB ARG 37 3.043 11.987 16.048 328 HG2 ARG 37 2HG ARG 37 1.935 11.701 13.244 329 HG3 ARG 37 3HG ARG 37 1.016 11.535 14.734 330 HD2 ARG 37 2HD ARG 37 1.372 13.910 15.243 331 HD3 ARG 37 3HD ARG 37 2.388 14.087 13.808 332 HE ARG 37 HE ARG 37 0.086 13.183 12.750 333 HH11 ARG 37 1HH1 ARG 37 0.743 15.839 14.970 334 HH12 ARG 37 2HH1 ARG 37 -0.598 16.797 14.423 335 HH21 ARG 37 1HH2 ARG 37 -1.651 14.444 12.024 336 HH22 ARG 37 2HH2 ARG 37 -1.963 15.995 12.738 337 H ALA 38 H ALA 38 5.906 10.241 14.339 338 HA ALA 38 HA ALA 38 7.282 10.406 16.824 339 HB1 ALA 38 1HB ALA 38 7.965 8.766 14.351 340 HB2 ALA 38 2HB ALA 38 6.879 8.268 15.647 341 HB3 ALA 38 3HB ALA 38 8.593 8.494 15.987 342 H LYS 39 H LYS 39 8.366 10.997 13.469 343 HA LYS 39 HA LYS 39 11.057 11.682 14.264 344 HB2 LYS 39 2HB LYS 39 11.528 11.837 11.898 345 HB3 LYS 39 3HB LYS 39 10.550 10.408 12.206 346 HG2 LYS 39 2HG LYS 39 8.536 11.627 11.403 347 HG3 LYS 39 3HG LYS 39 9.536 13.033 11.047 348 HD2 LYS 39 2HD LYS 39 9.758 10.287 9.735 349 HD3 LYS 39 3HD LYS 39 9.084 11.743 9.004 350 HE2 LYS 39 2HE LYS 39 11.305 12.836 9.174 351 HE3 LYS 39 3HE LYS 39 11.971 11.345 9.850 352 HZ1 LYS 39 1HZ LYS 39 12.410 11.515 7.468 353 HZ2 LYS 39 2HZ LYS 39 10.756 11.620 7.147 354 HZ3 LYS 39 3HZ LYS 39 11.397 10.206 7.793 355 H ARG 40 H ARG 40 8.196 13.558 13.557 356 HA ARG 40 HA ARG 40 9.635 16.051 13.132 357 HB2 ARG 40 2HB ARG 40 6.651 15.511 13.424 358 HB3 ARG 40 3HB ARG 40 7.335 17.107 13.141 359 HG2 ARG 40 2HG ARG 40 7.549 14.731 11.271 360 HG3 ARG 40 3HG ARG 40 6.462 16.105 11.075 361 HD2 ARG 40 2HD ARG 40 8.450 17.604 10.855 362 HD3 ARG 40 3HD ARG 40 9.501 16.189 10.974 363 HE ARG 40 HE ARG 40 8.440 15.361 8.905 364 HH11 ARG 40 1HH1 ARG 40 8.312 18.823 9.552 365 HH12 ARG 40 2HH1 ARG 40 8.119 19.246 7.879 366 HH21 ARG 40 1HH2 ARG 40 8.170 15.917 6.740 367 HH22 ARG 40 2HH2 ARG 40 8.037 17.584 6.285 368 H ALA 41 H ALA 41 7.717 14.551 15.727 369 HA ALA 41 HA ALA 41 7.825 16.774 17.529 370 HB1 ALA 41 1HB ALA 41 6.062 15.062 17.703 371 HB2 ALA 41 2HB ALA 41 6.969 15.195 19.209 372 HB3 ALA 41 3HB ALA 41 7.267 13.839 18.119 373 H GLU 42 H GLU 42 9.493 13.615 17.400 374 HA GLU 42 HA GLU 42 11.328 12.732 18.421 375 HB2 GLU 42 2HB GLU 42 12.347 15.587 18.047 376 HB3 GLU 42 3HB GLU 42 13.375 14.208 18.427 377 HG2 GLU 42 2HG GLU 42 12.902 13.168 16.310 378 HG3 GLU 42 3HG GLU 42 11.663 14.367 15.935 379 H LYS 43 H LYS 43 9.255 13.826 20.126 380 HA LYS 43 HA LYS 43 9.874 15.415 22.253 381 HB2 LYS 43 2HB LYS 43 8.013 14.350 23.464 382 HB3 LYS 43 3HB LYS 43 7.598 14.588 21.780 383 HG2 LYS 43 2HG LYS 43 8.542 11.934 22.896 384 HG3 LYS 43 3HG LYS 43 6.846 12.393 22.801 385 HD2 LYS 43 2HD LYS 43 6.995 12.506 20.339 386 HD3 LYS 43 3HD LYS 43 8.722 12.142 20.411 387 HE2 LYS 43 2HE LYS 43 7.423 10.150 19.801 388 HE3 LYS 43 3HE LYS 43 8.227 9.919 21.353 389 HZ1 LYS 43 1HZ LYS 43 5.356 10.578 20.934 390 HZ2 LYS 43 2HZ LYS 43 6.100 10.468 22.444 391 HZ3 LYS 43 3HZ LYS 43 5.985 9.099 21.463 392 H ALA 44 H ALA 44 10.776 12.026 21.920 393 HA ALA 44 HA ALA 44 11.713 11.827 24.674 394 HB1 ALA 44 1HB ALA 44 10.470 9.962 23.657 395 HB2 ALA 44 2HB ALA 44 12.083 9.468 24.178 396 HB3 ALA 44 3HB ALA 44 11.756 9.770 22.469 397 H LYS 45 H LYS 45 13.034 13.514 22.424 398 HA LYS 45 HA LYS 45 15.678 12.579 21.999 399 HB2 LYS 45 2HB LYS 45 16.255 14.910 21.414 400 HB3 LYS 45 3HB LYS 45 14.702 14.477 20.702 401 HG2 LYS 45 2HG LYS 45 13.531 15.664 22.543 402 HG3 LYS 45 3HG LYS 45 15.091 16.115 23.232 403 HD2 LYS 45 2HD LYS 45 14.178 18.006 22.012 404 HD3 LYS 45 3HD LYS 45 15.606 17.410 21.169 405 HE2 LYS 45 2HE LYS 45 14.230 16.321 19.503 406 HE3 LYS 45 3HE LYS 45 12.757 16.726 20.388 407 HZ1 LYS 45 1HZ LYS 45 13.109 18.229 18.543 408 HZ2 LYS 45 2HZ LYS 45 14.620 18.684 19.140 409 HZ3 LYS 45 3HZ LYS 45 13.217 19.073 20.002 410 H ASN 46 H ASN 46 14.104 13.719 24.774 411 HA ASN 46 HA ASN 46 14.644 14.291 26.863 412 HB2 ASN 46 2HB ASN 46 15.695 12.027 26.801 413 HB3 ASN 46 3HB ASN 46 17.215 12.737 26.269 414 HD21 ASN 46 1HD2 ASN 46 15.063 14.079 28.761 415 HD22 ASN 46 2HD2 ASN 46 16.170 13.870 30.066 416 H SER 47 H SER 47 14.710 16.368 25.572 417 HA SER 47 HA SER 47 15.475 18.390 24.980 418 HB2 SER 47 2HB SER 47 16.722 19.607 26.817 419 HB3 SER 47 3HB SER 47 15.268 18.779 27.357 420 HG SER 47 HG SER 47 17.696 17.411 27.513 421 H LYS 48 H LYS 48 16.612 17.852 23.076 422 HA LYS 48 HA LYS 48 19.381 17.130 23.088 423 HB2 LYS 48 2HB LYS 48 17.704 16.683 21.178 424 HB3 LYS 48 3HB LYS 48 17.883 18.380 20.738 425 HG2 LYS 48 2HG LYS 48 19.337 17.034 19.340 426 HG3 LYS 48 3HG LYS 48 20.330 18.013 20.425 427 HD2 LYS 48 2HD LYS 48 20.437 15.945 21.952 428 HD3 LYS 48 3HD LYS 48 19.725 15.035 20.621 429 HE2 LYS 48 2HE LYS 48 22.384 16.502 20.603 430 HE3 LYS 48 3HE LYS 48 22.140 14.758 20.646 431 HZ1 LYS 48 1HZ LYS 48 21.439 16.572 18.408 432 HZ2 LYS 48 2HZ LYS 48 21.096 14.926 18.451 433 HZ3 LYS 48 3HZ LYS 48 22.697 15.446 18.440 434 H LYS 49 H LYS 49 21.143 18.466 22.462 435 HA LYS 49 HA LYS 49 21.389 20.794 23.899 436 HB2 LYS 49 2HB LYS 49 23.067 19.728 21.610 437 HB3 LYS 49 3HB LYS 49 23.522 21.175 22.496 438 HG2 LYS 49 2HG LYS 49 23.223 18.393 23.674 439 HG3 LYS 49 3HG LYS 49 24.741 19.203 23.298 440 HD2 LYS 49 2HD LYS 49 22.716 20.026 25.407 441 HD3 LYS 49 3HD LYS 49 24.307 19.330 25.692 442 HE2 LYS 49 2HE LYS 49 23.685 22.090 24.586 443 HE3 LYS 49 3HE LYS 49 24.418 21.698 26.138 444 HZ1 LYS 49 1HZ LYS 49 25.632 21.290 23.469 445 HZ2 LYS 49 2HZ LYS 49 26.322 20.784 24.925 446 HZ3 LYS 49 3HZ LYS 49 26.086 22.428 24.633 447 H ALA 50 H ALA 50 20.523 22.641 23.657 448 HA ALA 50 HA ALA 50 20.307 24.045 21.074 449 HB1 ALA 50 1HB ALA 50 17.987 24.743 21.643 450 HB2 ALA 50 2HB ALA 50 18.026 23.703 23.067 451 HB3 ALA 50 3HB ALA 50 18.099 22.989 21.454 452 H ILE 51 H ILE 51 20.601 26.314 21.339 453 HA ILE 51 HA ILE 51 22.039 27.080 23.691 454 HB ILE 51 HB ILE 51 22.205 29.373 22.656 455 HG12 ILE 51 2HG1 ILE 51 21.548 29.304 20.049 456 HG13 ILE 51 3HG1 ILE 51 20.324 28.170 20.599 457 HG21 ILE 51 1HG2 ILE 51 23.707 28.659 20.823 458 HG22 ILE 51 2HG2 ILE 51 23.011 27.039 20.874 459 HG23 ILE 51 3HG2 ILE 51 23.912 27.656 22.260 460 HD11 ILE 51 1HD1 ILE 51 20.651 31.033 21.518 461 HD12 ILE 51 2HD1 ILE 51 19.405 29.916 22.085 462 HD13 ILE 51 3HD1 ILE 51 19.435 30.423 20.396 463 H GLU 52 H GLU 52 18.744 27.452 22.716 464 HA GLU 52 HA GLU 52 18.012 29.054 25.073 465 HB2 GLU 52 2HB GLU 52 16.415 27.900 22.759 466 HB3 GLU 52 3HB GLU 52 15.652 28.673 24.141 467 HG2 GLU 52 2HG GLU 52 17.570 29.979 22.199 468 HG3 GLU 52 3HG GLU 52 15.826 30.210 22.266 469 H ASP 53 H ASP 53 16.374 28.275 26.569 470 HA ASP 53 HA ASP 53 16.926 25.769 27.717 471 HB2 ASP 53 2HB ASP 53 14.564 27.644 28.175 472 HB3 ASP 53 3HB ASP 53 14.927 26.245 29.184 473 H GLY 54 H GLY 54 16.643 24.172 26.135 474 HA2 GLY 54 2HA GLY 54 13.952 23.417 25.255 475 HA3 GLY 54 3HA GLY 54 15.449 22.543 24.968 476 H VAL 55 H VAL 55 14.915 23.521 28.195 477 HA VAL 55 HA VAL 55 15.179 21.011 29.335 478 HB VAL 55 HB VAL 55 15.764 23.063 30.536 479 HG11 VAL 55 1HG1 VAL 55 14.082 24.588 31.492 480 HG12 VAL 55 2HG1 VAL 55 12.799 23.680 30.683 481 HG13 VAL 55 3HG1 VAL 55 14.003 24.549 29.727 482 HG21 VAL 55 1HG2 VAL 55 14.831 22.564 32.779 483 HG22 VAL 55 2HG2 VAL 55 15.298 21.091 31.928 484 HG23 VAL 55 3HG2 VAL 55 13.596 21.541 32.037 485 HA PRO 56 HA PRO 56 10.808 19.640 29.321 486 HB2 PRO 56 2HB PRO 56 11.277 17.017 29.619 487 HB3 PRO 56 3HB PRO 56 11.791 17.826 28.128 488 HG2 PRO 56 2HG PRO 56 13.444 16.864 30.398 489 HG3 PRO 56 3HG PRO 56 13.867 17.022 28.681 490 HD2 PRO 56 2HD PRO 56 14.434 18.895 30.803 491 HD3 PRO 56 3HD PRO 56 14.810 19.063 29.077 492 H GLN 57 H GLN 57 10.190 17.447 31.139 493 HA GLN 57 HA GLN 57 10.268 18.603 33.741 494 HB2 GLN 57 2HB GLN 57 9.440 16.472 34.585 495 HB3 GLN 57 3HB GLN 57 8.561 16.905 33.131 496 HG2 GLN 57 2HG GLN 57 10.819 14.900 33.221 497 HG3 GLN 57 3HG GLN 57 9.121 14.477 33.373 498 HE21 GLN 57 1HE2 GLN 57 7.766 14.757 31.525 499 HE22 GLN 57 2HE2 GLN 57 8.438 14.748 29.928 500 HA PRO 58 HA PRO 58 14.586 17.677 34.735 501 HB2 PRO 58 2HB PRO 58 14.504 17.797 37.490 502 HB3 PRO 58 3HB PRO 58 14.462 19.220 36.448 503 HG2 PRO 58 2HG PRO 58 12.165 17.817 37.769 504 HG3 PRO 58 3HG PRO 58 12.504 19.559 37.655 505 HD2 PRO 58 2HD PRO 58 10.722 18.394 36.000 506 HD3 PRO 58 3HD PRO 58 11.781 19.708 35.444 507 H GLU 59 H GLU 59 12.034 15.907 36.357 508 HA GLU 59 HA GLU 59 13.341 13.404 35.617 509 HB2 GLU 59 2HB GLU 59 13.989 13.901 38.042 510 HB3 GLU 59 3HB GLU 59 12.285 13.754 38.459 511 HG2 GLU 59 2HG GLU 59 13.457 11.681 38.972 512 HG3 GLU 59 3HG GLU 59 12.300 11.407 37.673 513 H ALA 60 H ALA 60 10.527 14.469 37.567 514 HA ALA 60 HA ALA 60 8.585 14.238 35.536 515 HB1 ALA 60 1HB ALA 60 7.316 12.265 36.313 516 HB2 ALA 60 2HB ALA 60 8.586 11.904 37.489 517 HB3 ALA 60 3HB ALA 60 8.930 11.806 35.763 518 H LEU 61 H LEU 61 7.022 15.599 36.173 519 HA LEU 61 HA LEU 61 6.580 16.412 38.916 520 HB2 LEU 61 2HB LEU 61 4.993 17.004 36.371 521 HB3 LEU 61 3HB LEU 61 4.624 17.691 37.941 522 HG LEU 61 HG LEU 61 5.750 19.382 36.671 523 HD11 LEU 61 1HD1 LEU 61 7.708 19.910 38.047 524 HD12 LEU 61 2HD1 LEU 61 7.744 18.254 38.657 525 HD13 LEU 61 3HD1 LEU 61 6.379 19.305 39.036 526 HD21 LEU 61 1HD2 LEU 61 7.978 19.155 35.676 527 HD22 LEU 61 2HD2 LEU 61 6.828 18.032 34.956 528 HD23 LEU 61 3HD2 LEU 61 8.015 17.445 36.123 529 H GLU 62 H GLU 62 5.016 14.435 36.495 530 HA GLU 62 HA GLU 62 3.886 12.647 38.473 531 HB2 GLU 62 2HB GLU 62 2.043 14.299 38.102 532 HB3 GLU 62 3HB GLU 62 2.106 13.981 36.371 533 HG2 GLU 62 2HG GLU 62 0.210 12.826 37.406 534 HG3 GLU 62 3HG GLU 62 1.360 11.664 36.751 535 H1 MET 1 1H MET 1 -1.238 -5.870 12.269 536 H2 MET 1 2H MET 1 -0.426 -4.488 11.749 537 H3 MET 1 3H MET 1 -1.374 -4.434 13.144 538 HA MET 1 HA MET 1 0.094 -5.956 14.259 539 HB2 MET 1 2HB MET 1 1.714 -5.782 11.678 540 HB3 MET 1 3HB MET 1 2.292 -6.527 13.161 541 HG2 MET 1 2HG MET 1 0.494 -8.207 13.001 542 HG3 MET 1 3HG MET 1 -0.052 -7.459 11.495 543 HE1 MET 1 1HE MET 1 1.688 -10.875 10.394 544 HE2 MET 1 2HE MET 1 0.182 -9.962 10.337 545 HE3 MET 1 3HE MET 1 0.776 -10.598 11.874 546 H GLU 2 H GLU 2 0.385 -4.359 15.697 547 HA GLU 2 HA GLU 2 2.448 -2.389 15.483 548 HB2 GLU 2 2HB GLU 2 0.984 -0.375 15.613 549 HB3 GLU 2 3HB GLU 2 0.776 -1.225 14.084 550 HG2 GLU 2 2HG GLU 2 -1.315 -2.216 14.878 551 HG3 GLU 2 3HG GLU 2 -1.088 -1.493 16.468 552 H GLU 3 H GLU 3 2.112 -0.716 17.359 553 HA GLU 3 HA GLU 3 0.557 -1.492 19.644 554 HB2 GLU 3 2HB GLU 3 2.535 -1.815 21.172 555 HB3 GLU 3 3HB GLU 3 2.372 -3.085 19.964 556 HG2 GLU 3 2HG GLU 3 4.137 -1.944 18.588 557 HG3 GLU 3 3HG GLU 3 4.341 -0.777 19.889 558 H LEU 4 H LEU 4 0.778 0.088 21.399 559 HA LEU 4 HA LEU 4 1.388 2.773 20.405 560 HB2 LEU 4 2HB LEU 4 0.088 1.892 23.013 561 HB3 LEU 4 3HB LEU 4 0.201 3.548 22.434 562 HG LEU 4 HG LEU 4 -1.417 1.309 21.143 563 HD11 LEU 4 1HD1 LEU 4 -3.392 2.580 21.847 564 HD12 LEU 4 2HD1 LEU 4 -2.362 3.767 22.653 565 HD13 LEU 4 3HD1 LEU 4 -2.414 2.100 23.232 566 HD21 LEU 4 1HD2 LEU 4 -2.313 3.027 19.618 567 HD22 LEU 4 2HD2 LEU 4 -0.576 2.816 19.412 568 HD23 LEU 4 3HD2 LEU 4 -1.195 4.217 20.290 569 H SER 5 H SER 5 3.512 3.220 20.538 570 HA SER 5 HA SER 5 5.060 2.509 22.970 571 HB2 SER 5 2HB SER 5 5.911 1.527 20.859 572 HB3 SER 5 3HB SER 5 6.019 3.130 20.130 573 HG SER 5 HG SER 5 7.808 3.481 21.182 574 H GLY 6 H GLY 6 5.519 4.164 24.308 575 HA2 GLY 6 2HA GLY 6 4.931 6.886 23.860 576 HA3 GLY 6 3HA GLY 6 5.926 6.259 25.162 577 H LYS 7 H LYS 7 8.147 5.317 24.115 578 HA LYS 7 HA LYS 7 9.597 7.551 23.045 579 HB2 LYS 7 2HB LYS 7 11.570 6.207 23.190 580 HB3 LYS 7 3HB LYS 7 10.602 5.805 24.592 581 HG2 LYS 7 2HG LYS 7 10.716 4.105 22.089 582 HG3 LYS 7 3HG LYS 7 11.790 3.877 23.467 583 HD2 LYS 7 2HD LYS 7 9.805 3.427 24.905 584 HD3 LYS 7 3HD LYS 7 8.759 3.615 23.493 585 HE2 LYS 7 2HE LYS 7 9.919 1.704 22.410 586 HE3 LYS 7 3HE LYS 7 10.908 1.495 23.860 587 HZ1 LYS 7 1HZ LYS 7 8.905 1.049 25.122 588 HZ2 LYS 7 2HZ LYS 7 9.006 -0.008 23.813 589 HZ3 LYS 7 3HZ LYS 7 7.948 1.300 23.755 590 HA PRO 8 HA PRO 8 9.026 6.918 18.679 591 HB2 PRO 8 2HB PRO 8 11.352 7.677 17.492 592 HB3 PRO 8 3HB PRO 8 10.383 8.845 18.425 593 HG2 PRO 8 2HG PRO 8 12.804 7.296 19.318 594 HG3 PRO 8 3HG PRO 8 12.458 9.036 19.489 595 HD2 PRO 8 2HD PRO 8 12.006 7.292 21.513 596 HD3 PRO 8 3HD PRO 8 10.980 8.718 21.248 597 H LEU 9 H LEU 9 9.561 5.602 16.796 598 HA LEU 9 HA LEU 9 10.282 2.931 17.380 599 HB2 LEU 9 2HB LEU 9 10.249 2.718 14.777 600 HB3 LEU 9 3HB LEU 9 8.766 3.094 15.623 601 HG LEU 9 HG LEU 9 9.043 5.519 14.985 602 HD11 LEU 9 1HD1 LEU 9 11.439 5.670 14.632 603 HD12 LEU 9 2HD1 LEU 9 10.572 6.165 13.180 604 HD13 LEU 9 3HD1 LEU 9 11.338 4.574 13.251 605 HD21 LEU 9 1HD2 LEU 9 8.341 5.256 12.655 606 HD22 LEU 9 2HD2 LEU 9 7.579 4.054 13.692 607 HD23 LEU 9 3HD2 LEU 9 8.929 3.589 12.650 608 H SER 10 H SER 10 12.035 1.657 16.425 609 HA SER 10 HA SER 10 14.629 2.810 16.758 610 HB2 SER 10 2HB SER 10 13.919 0.102 15.543 611 HB3 SER 10 3HB SER 10 15.478 0.573 16.233 612 HG SER 10 HG SER 10 14.484 0.752 18.248 613 H TYR 11 H TYR 11 16.373 2.567 15.104 614 HA TYR 11 HA TYR 11 15.840 4.069 12.779 615 HB2 TYR 11 2HB TYR 11 18.066 4.030 13.868 616 HB3 TYR 11 3HB TYR 11 18.264 2.331 13.450 617 HD1 TYR 11 HD1 TYR 11 17.826 5.724 11.917 618 HD2 TYR 11 HD2 TYR 11 19.290 1.748 11.371 619 HE1 TYR 11 HE1 TYR 11 18.856 6.397 9.799 620 HE2 TYR 11 HE2 TYR 11 20.321 2.431 9.234 621 HH TYR 11 HH TYR 11 20.021 4.242 7.526 622 H ALA 12 H ALA 12 16.255 0.604 13.331 623 HA ALA 12 HA ALA 12 16.081 -0.335 10.683 624 HB1 ALA 12 1HB ALA 12 15.600 -2.530 11.700 625 HB2 ALA 12 2HB ALA 12 15.301 -1.753 13.261 626 HB3 ALA 12 3HB ALA 12 16.914 -1.712 12.549 627 H GLU 13 H GLU 13 13.606 0.431 13.111 628 HA GLU 13 HA GLU 13 11.379 -0.593 11.653 629 HB2 GLU 13 2HB GLU 13 11.356 1.553 13.817 630 HB3 GLU 13 3HB GLU 13 9.976 0.604 13.276 631 HG2 GLU 13 2HG GLU 13 12.398 -0.389 14.789 632 HG3 GLU 13 3HG GLU 13 10.751 -0.251 15.385 633 H LYS 14 H LYS 14 12.985 2.532 11.818 634 HA LYS 14 HA LYS 14 11.055 4.106 10.453 635 HB2 LYS 14 2HB LYS 14 12.810 5.025 11.955 636 HB3 LYS 14 3HB LYS 14 14.059 4.529 10.835 637 HG2 LYS 14 2HG LYS 14 11.925 6.473 9.934 638 HG3 LYS 14 3HG LYS 14 13.260 7.040 10.930 639 HD2 LYS 14 2HD LYS 14 13.504 5.717 8.200 640 HD3 LYS 14 3HD LYS 14 13.717 7.431 8.555 641 HE2 LYS 14 2HE LYS 14 15.640 6.844 10.046 642 HE3 LYS 14 3HE LYS 14 15.463 5.156 9.560 643 HZ1 LYS 14 1HZ LYS 14 16.050 7.414 7.710 644 HZ2 LYS 14 2HZ LYS 14 15.958 5.786 7.279 645 HZ3 LYS 14 3HZ LYS 14 17.197 6.322 8.292 646 H GLU 15 H GLU 15 13.969 2.353 9.395 647 HA GLU 15 HA GLU 15 13.848 3.281 6.680 648 HB2 GLU 15 2HB GLU 15 15.707 1.770 6.233 649 HB3 GLU 15 3HB GLU 15 15.985 2.628 7.740 650 HG2 GLU 15 2HG GLU 15 15.316 0.640 9.020 651 HG3 GLU 15 3HG GLU 15 14.990 -0.224 7.519 652 H LYS 16 H LYS 16 12.809 0.257 8.322 653 HA LYS 16 HA LYS 16 11.886 -0.998 5.941 654 HB2 LYS 16 2HB LYS 16 10.850 -2.666 7.296 655 HB3 LYS 16 3HB LYS 16 12.360 -2.233 8.081 656 HG2 LYS 16 2HG LYS 16 11.094 -0.813 9.685 657 HG3 LYS 16 3HG LYS 16 9.592 -1.296 8.902 658 HD2 LYS 16 2HD LYS 16 10.007 -2.545 11.003 659 HD3 LYS 16 3HD LYS 16 9.920 -3.617 9.604 660 HE2 LYS 16 2HE LYS 16 12.345 -3.820 9.571 661 HE3 LYS 16 3HE LYS 16 12.495 -2.627 10.865 662 HZ1 LYS 16 1HZ LYS 16 11.368 -4.133 12.363 663 HZ2 LYS 16 2HZ LYS 16 12.711 -4.898 11.677 664 HZ3 LYS 16 3HZ LYS 16 11.157 -5.273 11.127 665 H LEU 17 H LEU 17 10.494 1.388 8.072 666 HA LEU 17 HA LEU 17 7.780 1.098 7.213 667 HB2 LEU 17 2HB LEU 17 8.880 2.295 9.367 668 HB3 LEU 17 3HB LEU 17 8.751 3.719 8.360 669 HG LEU 17 HG LEU 17 6.816 3.419 9.934 670 HD11 LEU 17 1HD1 LEU 17 6.001 3.265 7.008 671 HD12 LEU 17 2HD1 LEU 17 6.466 4.724 7.886 672 HD13 LEU 17 3HD1 LEU 17 5.003 3.861 8.343 673 HD21 LEU 17 1HD2 LEU 17 6.143 0.955 8.270 674 HD22 LEU 17 2HD2 LEU 17 5.177 1.633 9.586 675 HD23 LEU 17 3HD2 LEU 17 6.758 0.938 9.927 676 H LYS 18 H LYS 18 10.382 3.443 6.335 677 HA LYS 18 HA LYS 18 8.784 4.910 4.510 678 HB2 LYS 18 2HB LYS 18 10.910 5.952 3.721 679 HB3 LYS 18 3HB LYS 18 10.736 5.975 5.465 680 HG2 LYS 18 2HG LYS 18 12.972 5.445 5.239 681 HG3 LYS 18 3HG LYS 18 12.254 3.844 5.405 682 HD2 LYS 18 2HD LYS 18 12.321 3.645 2.882 683 HD3 LYS 18 3HD LYS 18 13.182 5.181 2.833 684 HE2 LYS 18 2HE LYS 18 15.021 4.195 4.146 685 HE3 LYS 18 3HE LYS 18 14.152 2.661 4.222 686 HZ1 LYS 18 1HZ LYS 18 15.177 3.975 1.757 687 HZ2 LYS 18 2HZ LYS 18 14.280 2.547 1.778 688 HZ3 LYS 18 3HZ LYS 18 15.811 2.592 2.487 689 H GLU 19 H GLU 19 10.898 2.070 4.079 690 HA GLU 19 HA GLU 19 10.590 2.001 1.216 691 HB2 GLU 19 2HB GLU 19 11.750 -0.095 1.249 692 HB3 GLU 19 3HB GLU 19 12.517 0.944 2.443 693 HG2 GLU 19 2HG GLU 19 11.302 -0.226 4.244 694 HG3 GLU 19 3HG GLU 19 10.534 -1.261 3.048 695 H LYS 20 H LYS 20 8.812 0.616 3.968 696 HA LYS 20 HA LYS 20 7.001 -1.016 2.607 697 HB2 LYS 20 2HB LYS 20 6.578 -1.288 4.846 698 HB3 LYS 20 3HB LYS 20 6.995 0.370 5.246 699 HG2 LYS 20 2HG LYS 20 4.785 1.157 4.724 700 HG3 LYS 20 3HG LYS 20 4.342 -0.366 3.953 701 HD2 LYS 20 2HD LYS 20 4.935 -0.034 6.921 702 HD3 LYS 20 3HD LYS 20 3.317 -0.051 6.213 703 HE2 LYS 20 2HE LYS 20 3.872 -2.375 5.305 704 HE3 LYS 20 3HE LYS 20 5.320 -2.327 6.315 705 HZ1 LYS 20 1HZ LYS 20 2.504 -2.140 7.276 706 HZ2 LYS 20 2HZ LYS 20 3.874 -2.026 8.267 707 HZ3 LYS 20 3HZ LYS 20 3.540 -3.466 7.453 708 H LEU 21 H LEU 21 6.865 2.458 3.270 709 HA LEU 21 HA LEU 21 4.344 3.057 2.229 710 HB2 LEU 21 2HB LEU 21 6.818 4.840 2.312 711 HB3 LEU 21 3HB LEU 21 5.166 5.407 2.099 712 HG LEU 21 HG LEU 21 6.231 4.023 4.588 713 HD11 LEU 21 1HD1 LEU 21 5.568 6.942 4.165 714 HD12 LEU 21 2HD1 LEU 21 7.183 6.248 4.342 715 HD13 LEU 21 3HD1 LEU 21 6.050 6.189 5.689 716 HD21 LEU 21 1HD2 LEU 21 4.112 4.632 5.637 717 HD22 LEU 21 2HD2 LEU 21 3.865 3.546 4.273 718 HD23 LEU 21 3HD2 LEU 21 3.517 5.272 4.103 719 H ALA 22 H ALA 22 7.552 3.260 0.695 720 HA ALA 22 HA ALA 22 6.702 4.010 -1.904 721 HB1 ALA 22 1HB ALA 22 9.003 3.433 -2.585 722 HB2 ALA 22 2HB ALA 22 9.260 2.595 -1.049 723 HB3 ALA 22 3HB ALA 22 9.002 4.340 -1.071 724 H PHE 23 H PHE 23 7.236 0.828 -0.426 725 HA PHE 23 HA PHE 23 7.232 -0.705 -2.825 726 HB2 PHE 23 2HB PHE 23 8.241 -1.578 -0.761 727 HB3 PHE 23 3HB PHE 23 6.681 -1.571 0.049 728 HD1 PHE 23 HD1 PHE 23 8.532 -3.135 -2.819 729 HD2 PHE 23 HD2 PHE 23 5.306 -3.492 -0.042 730 HE1 PHE 23 HE1 PHE 23 8.133 -5.451 -3.568 731 HE2 PHE 23 HE2 PHE 23 4.911 -5.788 -0.792 732 HZ PHE 23 HZ PHE 23 6.316 -6.779 -2.558 733 H LEU 24 H LEU 24 4.710 -0.309 -0.312 734 HA LEU 24 HA LEU 24 2.723 -1.683 -1.762 735 HB2 LEU 24 2HB LEU 24 1.123 -0.918 -0.098 736 HB3 LEU 24 3HB LEU 24 2.584 -1.515 0.648 737 HG LEU 24 HG LEU 24 3.246 0.995 0.926 738 HD11 LEU 24 1HD1 LEU 24 1.564 1.984 -0.539 739 HD12 LEU 24 2HD1 LEU 24 1.398 2.585 1.102 740 HD13 LEU 24 3HD1 LEU 24 0.271 1.371 0.492 741 HD21 LEU 24 1HD2 LEU 24 2.670 -0.443 2.823 742 HD22 LEU 24 2HD2 LEU 24 0.950 -0.139 2.565 743 HD23 LEU 24 3HD2 LEU 24 2.021 1.179 3.052 744 H LYS 25 H LYS 25 3.731 1.677 -1.734 745 HA LYS 25 HA LYS 25 1.546 2.867 -3.066 746 HB2 LYS 25 2HB LYS 25 3.235 4.185 -1.939 747 HB3 LYS 25 3HB LYS 25 4.503 3.597 -3.010 748 HG2 LYS 25 2HG LYS 25 3.492 4.820 -4.895 749 HG3 LYS 25 3HG LYS 25 2.174 5.370 -3.853 750 HD2 LYS 25 2HD LYS 25 5.125 6.046 -3.533 751 HD3 LYS 25 3HD LYS 25 3.865 7.144 -4.104 752 HE2 LYS 25 2HE LYS 25 2.741 6.980 -1.900 753 HE3 LYS 25 3HE LYS 25 4.018 5.896 -1.338 754 HZ1 LYS 25 1HZ LYS 25 5.606 7.656 -1.551 755 HZ2 LYS 25 2HZ LYS 25 4.302 8.216 -0.633 756 HZ3 LYS 25 3HZ LYS 25 4.468 8.680 -2.247 757 H LYS 26 H LYS 26 4.628 1.591 -4.403 758 HA LYS 26 HA LYS 26 4.005 2.286 -7.088 759 HB2 LYS 26 2HB LYS 26 5.950 0.942 -7.747 760 HB3 LYS 26 3HB LYS 26 6.334 1.988 -6.388 761 HG2 LYS 26 2HG LYS 26 6.181 0.091 -4.846 762 HG3 LYS 26 3HG LYS 26 5.731 -0.980 -6.178 763 HD2 LYS 26 2HD LYS 26 7.945 -0.594 -7.234 764 HD3 LYS 26 3HD LYS 26 8.387 0.494 -5.912 765 HE2 LYS 26 2HE LYS 26 8.211 -1.360 -4.308 766 HE3 LYS 26 3HE LYS 26 7.724 -2.451 -5.611 767 HZ1 LYS 26 1HZ LYS 26 9.868 -2.096 -6.664 768 HZ2 LYS 26 2HZ LYS 26 10.073 -2.670 -5.088 769 HZ3 LYS 26 3HZ LYS 26 10.325 -1.040 -5.429 770 H GLU 27 H GLU 27 3.724 -0.789 -5.251 771 HA GLU 27 HA GLU 27 2.736 -2.323 -7.424 772 HB2 GLU 27 2HB GLU 27 2.160 -4.044 -5.880 773 HB3 GLU 27 3HB GLU 27 3.625 -3.301 -5.257 774 HG2 GLU 27 2HG GLU 27 2.343 -2.103 -3.569 775 HG3 GLU 27 3HG GLU 27 0.834 -2.715 -4.236 776 H TYR 28 H TYR 28 1.124 -0.287 -4.993 777 HA TYR 28 HA TYR 28 -1.575 -0.886 -5.447 778 HB2 TYR 28 2HB TYR 28 -0.975 0.482 -3.561 779 HB3 TYR 28 3HB TYR 28 -0.169 1.672 -4.565 780 HD1 TYR 28 HD1 TYR 28 -3.578 0.259 -3.838 781 HD2 TYR 28 HD2 TYR 28 -1.343 3.644 -5.178 782 HE1 TYR 28 HE1 TYR 28 -5.627 1.605 -3.864 783 HE2 TYR 28 HE2 TYR 28 -3.400 4.989 -5.197 784 HH TYR 28 HH TYR 28 -5.817 4.630 -5.378 785 H SER 29 H SER 29 0.458 1.631 -6.909 786 HA SER 29 HA SER 29 -1.551 2.818 -8.491 787 HB2 SER 29 2HB SER 29 1.471 2.852 -8.866 788 HB3 SER 29 3HB SER 29 0.331 3.975 -9.617 789 HG SER 29 HG SER 29 0.586 3.617 -6.817 790 H ARG 30 H ARG 30 0.894 0.346 -9.192 791 HA ARG 30 HA ARG 30 0.310 0.094 -11.988 792 HB2 ARG 30 2HB ARG 30 1.818 -1.753 -10.081 793 HB3 ARG 30 3HB ARG 30 1.787 -1.932 -11.833 794 HG2 ARG 30 2HG ARG 30 2.890 0.275 -12.082 795 HG3 ARG 30 3HG ARG 30 2.935 0.436 -10.320 796 HD2 ARG 30 2HD ARG 30 5.096 -0.334 -11.104 797 HD3 ARG 30 3HD ARG 30 4.320 -1.636 -10.198 798 HE ARG 30 HE ARG 30 3.627 -2.492 -12.499 799 HH11 ARG 30 1HH1 ARG 30 6.658 -0.750 -11.950 800 HH12 ARG 30 2HH1 ARG 30 7.464 -1.501 -13.297 801 HH21 ARG 30 1HH2 ARG 30 4.664 -3.393 -14.288 802 HH22 ARG 30 2HH2 ARG 30 6.323 -3.002 -14.622 803 H THR 31 H THR 31 -0.715 -1.685 -9.084 804 HA THR 31 HA THR 31 -1.898 -3.821 -10.599 805 HB THR 31 HB THR 31 -0.820 -4.199 -8.348 806 HG1 THR 31 HG1 THR 31 -1.963 -5.944 -8.387 807 HG21 THR 31 1HG2 THR 31 -2.160 -3.943 -6.308 808 HG22 THR 31 2HG2 THR 31 -3.448 -3.153 -7.219 809 HG23 THR 31 3HG2 THR 31 -1.882 -2.360 -7.039 810 H LEU 32 H LEU 32 -3.048 -0.948 -8.936 811 HA LEU 32 HA LEU 32 -5.836 -1.417 -9.267 812 HB2 LEU 32 2HB LEU 32 -4.847 0.283 -7.714 813 HB3 LEU 32 3HB LEU 32 -4.369 1.258 -9.084 814 HG LEU 32 HG LEU 32 -7.318 0.611 -8.641 815 HD11 LEU 32 1HD1 LEU 32 -5.837 2.907 -7.306 816 HD12 LEU 32 2HD1 LEU 32 -6.528 1.499 -6.493 817 HD13 LEU 32 3HD1 LEU 32 -7.587 2.651 -7.301 818 HD21 LEU 32 1HD2 LEU 32 -7.685 2.759 -9.783 819 HD22 LEU 32 2HD2 LEU 32 -6.719 1.670 -10.773 820 HD23 LEU 32 3HD2 LEU 32 -5.938 2.997 -9.912 821 H ALA 33 H ALA 33 -3.329 0.246 -11.191 822 HA ALA 33 HA ALA 33 -4.896 1.219 -13.281 823 HB1 ALA 33 1HB ALA 33 -2.550 1.867 -12.919 824 HB2 ALA 33 2HB ALA 33 -2.808 1.316 -14.575 825 HB3 ALA 33 3HB ALA 33 -2.017 0.253 -13.402 826 H ARG 34 H ARG 34 -3.164 -1.904 -13.054 827 HA ARG 34 HA ARG 34 -3.975 -2.838 -15.629 828 HB2 ARG 34 2HB ARG 34 -2.758 -4.819 -15.161 829 HB3 ARG 34 3HB ARG 34 -1.876 -3.528 -14.359 830 HG2 ARG 34 2HG ARG 34 -3.206 -4.267 -12.232 831 HG3 ARG 34 3HG ARG 34 -3.517 -5.746 -13.140 832 HD2 ARG 34 2HD ARG 34 -0.831 -4.607 -12.321 833 HD3 ARG 34 3HD ARG 34 -1.592 -6.082 -11.722 834 HE ARG 34 HE ARG 34 -1.330 -6.530 -14.388 835 HH11 ARG 34 1HH1 ARG 34 0.932 -5.676 -11.811 836 HH12 ARG 34 2HH1 ARG 34 2.283 -6.458 -12.581 837 HH21 ARG 34 1HH2 ARG 34 0.459 -7.507 -15.397 838 HH22 ARG 34 2HH2 ARG 34 2.003 -7.488 -14.609 839 H LEU 35 H LEU 35 -5.246 -3.231 -12.359 840 HA LEU 35 HA LEU 35 -7.250 -5.161 -12.777 841 HB2 LEU 35 2HB LEU 35 -6.639 -4.366 -10.526 842 HB3 LEU 35 3HB LEU 35 -7.196 -2.752 -10.918 843 HG LEU 35 HG LEU 35 -9.550 -3.613 -11.041 844 HD11 LEU 35 1HD1 LEU 35 -8.402 -6.226 -10.026 845 HD12 LEU 35 2HD1 LEU 35 -9.112 -5.946 -11.617 846 HD13 LEU 35 3HD1 LEU 35 -10.115 -5.820 -10.175 847 HD21 LEU 35 1HD2 LEU 35 -8.149 -4.154 -8.403 848 HD22 LEU 35 2HD2 LEU 35 -9.878 -3.865 -8.623 849 HD23 LEU 35 3HD2 LEU 35 -8.721 -2.585 -8.977 850 H GLN 36 H GLN 36 -7.251 -1.607 -13.190 851 HA GLN 36 HA GLN 36 -9.949 -1.334 -14.026 852 HB2 GLN 36 2HB GLN 36 -7.601 0.517 -14.657 853 HB3 GLN 36 3HB GLN 36 -9.307 0.916 -14.866 854 HG2 GLN 36 2HG GLN 36 -7.858 0.417 -12.264 855 HG3 GLN 36 3HG GLN 36 -8.491 1.946 -12.844 856 HE21 GLN 36 1HE2 GLN 36 -9.006 0.350 -10.370 857 HE22 GLN 36 2HE2 GLN 36 -10.725 0.184 -10.294 858 H ARG 37 H ARG 37 -6.890 -1.757 -15.807 859 HA ARG 37 HA ARG 37 -7.901 -1.449 -18.422 860 HB2 ARG 37 2HB ARG 37 -5.529 -3.141 -17.498 861 HB3 ARG 37 3HB ARG 37 -5.862 -2.706 -19.172 862 HG2 ARG 37 2HG ARG 37 -5.192 -0.784 -16.931 863 HG3 ARG 37 3HG ARG 37 -4.100 -1.289 -18.211 864 HD2 ARG 37 2HD ARG 37 -5.493 -0.148 -19.882 865 HD3 ARG 37 3HD ARG 37 -6.675 0.281 -18.638 866 HE ARG 37 HE ARG 37 -4.446 1.390 -17.653 867 HH11 ARG 37 1HH1 ARG 37 -5.869 1.588 -20.868 868 HH12 ARG 37 2HH1 ARG 37 -5.238 3.178 -21.174 869 HH21 ARG 37 1HH2 ARG 37 -3.644 3.459 -18.064 870 HH22 ARG 37 2HH2 ARG 37 -3.980 4.236 -19.585 871 H ALA 38 H ALA 38 -7.737 -4.266 -16.298 872 HA ALA 38 HA ALA 38 -8.598 -6.241 -18.152 873 HB1 ALA 38 1HB ALA 38 -8.794 -6.250 -15.118 874 HB2 ALA 38 2HB ALA 38 -7.408 -6.793 -16.063 875 HB3 ALA 38 3HB ALA 38 -8.938 -7.664 -16.175 876 H LYS 39 H LYS 39 -10.367 -4.448 -15.615 877 HA LYS 39 HA LYS 39 -12.875 -5.771 -16.171 878 HB2 LYS 39 2HB LYS 39 -13.748 -4.528 -14.279 879 HB3 LYS 39 3HB LYS 39 -12.167 -5.185 -13.873 880 HG2 LYS 39 2HG LYS 39 -11.152 -2.946 -14.289 881 HG3 LYS 39 3HG LYS 39 -12.757 -2.295 -14.615 882 HD2 LYS 39 2HD LYS 39 -11.799 -3.471 -11.969 883 HD3 LYS 39 3HD LYS 39 -12.051 -1.759 -12.319 884 HE2 LYS 39 2HE LYS 39 -14.469 -2.221 -12.695 885 HE3 LYS 39 3HE LYS 39 -14.190 -3.910 -12.264 886 HZ1 LYS 39 1HZ LYS 39 -15.042 -2.625 -10.389 887 HZ2 LYS 39 2HZ LYS 39 -13.719 -1.590 -10.466 888 HZ3 LYS 39 3HZ LYS 39 -13.490 -3.206 -10.062 889 H ARG 40 H ARG 40 -11.461 -2.722 -17.144 890 HA ARG 40 HA ARG 40 -13.979 -1.533 -17.993 891 HB2 ARG 40 2HB ARG 40 -11.111 -0.619 -18.438 892 HB3 ARG 40 3HB ARG 40 -12.521 0.275 -18.994 893 HG2 ARG 40 2HG ARG 40 -11.838 -0.338 -16.106 894 HG3 ARG 40 3HG ARG 40 -11.593 1.205 -16.919 895 HD2 ARG 40 2HD ARG 40 -14.065 1.391 -17.237 896 HD3 ARG 40 3HD ARG 40 -14.265 -0.126 -16.353 897 HE ARG 40 HE ARG 40 -13.267 1.001 -14.401 898 HH11 ARG 40 1HH1 ARG 40 -14.715 3.002 -16.903 899 HH12 ARG 40 2HH1 ARG 40 -15.014 4.332 -15.829 900 HH21 ARG 40 1HH2 ARG 40 -13.688 2.731 -13.020 901 HH22 ARG 40 2HH2 ARG 40 -14.428 4.170 -13.625 902 H ALA 41 H ALA 41 -11.156 -3.054 -19.565 903 HA ALA 41 HA ALA 41 -12.053 -2.686 -22.256 904 HB1 ALA 41 1HB ALA 41 -9.674 -3.074 -21.718 905 HB2 ALA 41 2HB ALA 41 -10.272 -4.280 -22.860 906 HB3 ALA 41 3HB ALA 41 -10.054 -4.706 -21.159 907 H GLU 42 H GLU 42 -11.957 -5.525 -20.079 908 HA GLU 42 HA GLU 42 -12.938 -7.574 -20.069 909 HB2 GLU 42 2HB GLU 42 -15.281 -5.981 -21.215 910 HB3 GLU 42 3HB GLU 42 -15.411 -7.620 -20.575 911 HG2 GLU 42 2HG GLU 42 -14.800 -6.879 -18.362 912 HG3 GLU 42 3HG GLU 42 -14.442 -5.257 -18.954 913 H LYS 43 H LYS 43 -11.337 -6.966 -22.290 914 HA LYS 43 HA LYS 43 -12.251 -7.439 -24.834 915 HB2 LYS 43 2HB LYS 43 -9.944 -7.924 -25.481 916 HB3 LYS 43 3HB LYS 43 -9.968 -6.620 -24.310 917 HG2 LYS 43 2HG LYS 43 -9.276 -9.501 -23.681 918 HG3 LYS 43 3HG LYS 43 -8.097 -8.227 -23.979 919 HD2 LYS 43 2HD LYS 43 -8.920 -7.014 -21.962 920 HD3 LYS 43 3HD LYS 43 -10.099 -8.300 -21.684 921 HE2 LYS 43 2HE LYS 43 -8.191 -8.627 -20.221 922 HE3 LYS 43 3HE LYS 43 -8.235 -9.925 -21.413 923 HZ1 LYS 43 1HZ LYS 43 -6.480 -7.523 -21.538 924 HZ2 LYS 43 2HZ LYS 43 -6.511 -8.774 -22.670 925 HZ3 LYS 43 3HZ LYS 43 -5.989 -9.077 -21.096 926 H ALA 44 H ALA 44 -11.676 -9.881 -22.360 927 HA ALA 44 HA ALA 44 -12.389 -12.037 -24.239 928 HB1 ALA 44 1HB ALA 44 -10.406 -12.433 -22.832 929 HB2 ALA 44 2HB ALA 44 -11.682 -13.600 -22.494 930 HB3 ALA 44 3HB ALA 44 -11.404 -12.253 -21.394 931 H LYS 45 H LYS 45 -14.448 -10.255 -23.715 932 HA LYS 45 HA LYS 45 -16.253 -11.272 -21.693 933 HB2 LYS 45 2HB LYS 45 -17.902 -9.663 -22.661 934 HB3 LYS 45 3HB LYS 45 -16.359 -8.909 -22.281 935 HG2 LYS 45 2HG LYS 45 -15.719 -9.008 -24.685 936 HG3 LYS 45 3HG LYS 45 -17.290 -9.723 -25.060 937 HD2 LYS 45 2HD LYS 45 -17.252 -7.292 -25.562 938 HD3 LYS 45 3HD LYS 45 -18.435 -7.680 -24.313 939 HE2 LYS 45 2HE LYS 45 -16.742 -6.965 -22.595 940 HE3 LYS 45 3HE LYS 45 -15.705 -6.422 -23.914 941 HZ1 LYS 45 1HZ LYS 45 -17.027 -4.619 -22.942 942 HZ2 LYS 45 2HZ LYS 45 -18.452 -5.402 -23.387 943 HZ3 LYS 45 3HZ LYS 45 -17.391 -4.842 -24.569 944 H ASN 46 H ASN 46 -15.302 -12.727 -24.415 945 HA ASN 46 HA ASN 46 -16.030 -14.451 -25.684 946 HB2 ASN 46 2HB ASN 46 -16.739 -15.276 -23.363 947 HB3 ASN 46 3HB ASN 46 -18.363 -14.700 -23.707 948 HD21 ASN 46 1HD2 ASN 46 -15.887 -17.012 -24.642 949 HD22 ASN 46 2HD2 ASN 46 -16.951 -18.133 -25.418 950 H SER 47 H SER 47 -16.638 -11.898 -26.448 951 HA SER 47 HA SER 47 -17.840 -10.510 -27.723 952 HB2 SER 47 2HB SER 47 -18.957 -11.534 -29.718 953 HB3 SER 47 3HB SER 47 -17.322 -12.127 -29.452 954 HG SER 47 HG SER 47 -19.567 -13.514 -28.463 955 H LYS 48 H LYS 48 -19.095 -9.635 -26.068 956 HA LYS 48 HA LYS 48 -21.526 -10.808 -25.116 957 HB2 LYS 48 2HB LYS 48 -19.783 -8.933 -24.117 958 HB3 LYS 48 3HB LYS 48 -21.051 -7.867 -24.694 959 HG2 LYS 48 2HG LYS 48 -21.441 -8.314 -22.376 960 HG3 LYS 48 3HG LYS 48 -22.684 -9.175 -23.291 961 HD2 LYS 48 2HD LYS 48 -21.471 -11.280 -23.033 962 HD3 LYS 48 3HD LYS 48 -20.129 -10.454 -22.232 963 HE2 LYS 48 2HE LYS 48 -21.552 -11.608 -20.613 964 HE3 LYS 48 3HE LYS 48 -21.624 -9.867 -20.349 965 HZ1 LYS 48 1HZ LYS 48 -23.750 -9.828 -21.508 966 HZ2 LYS 48 2HZ LYS 48 -23.808 -10.895 -20.207 967 HZ3 LYS 48 3HZ LYS 48 -23.668 -11.490 -21.778 968 H LYS 49 H LYS 49 -23.638 -9.477 -25.166 969 HA LYS 49 HA LYS 49 -24.441 -9.286 -27.909 970 HB2 LYS 49 2HB LYS 49 -26.023 -8.597 -25.402 971 HB3 LYS 49 3HB LYS 49 -26.696 -8.809 -27.012 972 HG2 LYS 49 2HG LYS 49 -25.467 -10.931 -25.233 973 HG3 LYS 49 3HG LYS 49 -27.142 -10.813 -25.761 974 HD2 LYS 49 2HD LYS 49 -24.739 -11.444 -27.517 975 HD3 LYS 49 3HD LYS 49 -25.951 -12.593 -26.962 976 HE2 LYS 49 2HE LYS 49 -26.442 -10.271 -28.864 977 HE3 LYS 49 3HE LYS 49 -26.340 -11.974 -29.303 978 HZ1 LYS 49 1HZ LYS 49 -28.619 -11.271 -29.155 979 HZ2 LYS 49 2HZ LYS 49 -28.407 -10.759 -27.561 980 HZ3 LYS 49 3HZ LYS 49 -28.291 -12.399 -27.945 981 H ALA 50 H ALA 50 -25.527 -7.497 -28.918 982 HA ALA 50 HA ALA 50 -24.986 -4.775 -28.061 983 HB1 ALA 50 1HB ALA 50 -22.774 -5.489 -28.932 984 HB2 ALA 50 2HB ALA 50 -23.496 -4.248 -29.958 985 HB3 ALA 50 3HB ALA 50 -23.523 -5.937 -30.469 986 H ILE 51 H ILE 51 -25.760 -3.182 -29.747 987 HA ILE 51 HA ILE 51 -28.279 -4.032 -30.876 988 HB ILE 51 HB ILE 51 -28.560 -1.685 -31.663 989 HG12 ILE 51 2HG1 ILE 51 -26.754 -0.004 -30.616 990 HG13 ILE 51 3HG1 ILE 51 -25.669 -1.377 -30.772 991 HG21 ILE 51 1HG2 ILE 51 -29.292 -2.316 -29.403 992 HG22 ILE 51 2HG2 ILE 51 -28.712 -0.651 -29.416 993 HG23 ILE 51 3HG2 ILE 51 -27.695 -1.929 -28.750 994 HD11 ILE 51 1HD1 ILE 51 -27.181 -0.060 -33.038 995 HD12 ILE 51 2HD1 ILE 51 -26.030 -1.389 -33.198 996 HD13 ILE 51 3HD1 ILE 51 -25.481 0.190 -32.641 997 H GLU 52 H GLU 52 -25.088 -3.897 -32.023 998 HA GLU 52 HA GLU 52 -25.939 -4.585 -34.775 999 HB2 GLU 52 2HB GLU 52 -23.686 -3.953 -35.524 1000 HB3 GLU 52 3HB GLU 52 -24.491 -2.591 -34.767 1001 HG2 GLU 52 2HG GLU 52 -22.556 -4.287 -33.187 1002 HG3 GLU 52 3HG GLU 52 -21.958 -3.053 -34.281 1003 H ASP 53 H ASP 53 -23.882 -6.019 -35.691 1004 HA ASP 53 HA ASP 53 -23.882 -8.472 -34.165 1005 HB2 ASP 53 2HB ASP 53 -22.381 -7.743 -36.726 1006 HB3 ASP 53 3HB ASP 53 -22.474 -9.357 -36.031 1007 H GLY 54 H GLY 54 -22.825 -7.951 -32.211 1008 HA2 GLY 54 2HA GLY 54 -20.099 -6.959 -32.129 1009 HA3 GLY 54 3HA GLY 54 -21.039 -7.594 -30.785 1010 H VAL 55 H VAL 55 -19.616 -8.832 -33.839 1011 HA VAL 55 HA VAL 55 -18.789 -11.322 -32.458 1012 HB VAL 55 HB VAL 55 -20.765 -11.834 -33.781 1013 HG11 VAL 55 1HG1 VAL 55 -20.909 -11.465 -36.203 1014 HG12 VAL 55 2HG1 VAL 55 -19.340 -10.651 -36.180 1015 HG13 VAL 55 3HG1 VAL 55 -20.713 -9.942 -35.328 1016 HG21 VAL 55 1HG2 VAL 55 -19.030 -13.567 -33.771 1017 HG22 VAL 55 2HG2 VAL 55 -18.279 -12.864 -35.204 1018 HG23 VAL 55 3HG2 VAL 55 -19.891 -13.575 -35.311 1019 HA PRO 56 HA PRO 56 -14.896 -10.197 -34.608 1020 HB2 PRO 56 2HB PRO 56 -13.182 -11.465 -32.989 1021 HB3 PRO 56 3HB PRO 56 -14.055 -10.045 -32.377 1022 HG2 PRO 56 2HG PRO 56 -14.618 -12.951 -31.901 1023 HG3 PRO 56 3HG PRO 56 -14.635 -11.598 -30.745 1024 HD2 PRO 56 2HD PRO 56 -16.912 -12.608 -32.003 1025 HD3 PRO 56 3HD PRO 56 -16.785 -10.980 -31.306 1026 H GLN 57 H GLN 57 -12.896 -12.017 -34.999 1027 HA GLN 57 HA GLN 57 -13.878 -14.006 -36.742 1028 HB2 GLN 57 2HB GLN 57 -11.613 -14.904 -36.848 1029 HB3 GLN 57 3HB GLN 57 -11.558 -13.155 -36.919 1030 HG2 GLN 57 2HG GLN 57 -10.996 -14.743 -34.412 1031 HG3 GLN 57 3HG GLN 57 -9.756 -14.283 -35.572 1032 HE21 GLN 57 1HE2 GLN 57 -9.220 -12.060 -35.779 1033 HE22 GLN 57 2HE2 GLN 57 -9.539 -10.945 -34.497 1034 HA PRO 58 HA PRO 58 -15.699 -17.150 -34.269 1035 HB2 PRO 58 2HB PRO 58 -14.503 -19.523 -35.328 1036 HB3 PRO 58 3HB PRO 58 -15.961 -18.719 -35.918 1037 HG2 PRO 58 2HG PRO 58 -13.155 -18.461 -36.906 1038 HG3 PRO 58 3HG PRO 58 -14.678 -18.490 -37.825 1039 HD2 PRO 58 2HD PRO 58 -13.434 -16.171 -37.453 1040 HD3 PRO 58 3HD PRO 58 -15.206 -16.251 -37.287 1041 H GLU 59 H GLU 59 -12.245 -18.070 -34.687 1042 HA GLU 59 HA GLU 59 -11.813 -17.982 -31.820 1043 HB2 GLU 59 2HB GLU 59 -10.645 -20.400 -32.102 1044 HB3 GLU 59 3HB GLU 59 -12.314 -20.196 -31.597 1045 HG2 GLU 59 2HG GLU 59 -12.091 -22.025 -33.208 1046 HG3 GLU 59 3HG GLU 59 -13.100 -20.736 -33.860 1047 H ALA 60 H ALA 60 -10.459 -18.465 -35.048 1048 HA ALA 60 HA ALA 60 -8.415 -18.179 -35.985 1049 HB1 ALA 60 1HB ALA 60 -7.109 -16.214 -35.247 1050 HB2 ALA 60 2HB ALA 60 -8.118 -16.083 -33.803 1051 HB3 ALA 60 3HB ALA 60 -8.826 -15.841 -35.402 1052 H LEU 61 H LEU 61 -8.608 -20.294 -34.130 1053 HA LEU 61 HA LEU 61 -6.042 -20.321 -32.658 1054 HB2 LEU 61 2HB LEU 61 -8.112 -20.408 -31.272 1055 HB3 LEU 61 3HB LEU 61 -8.620 -21.861 -32.118 1056 HG LEU 61 HG LEU 61 -6.560 -23.028 -31.208 1057 HD11 LEU 61 1HD1 LEU 61 -5.141 -21.095 -30.822 1058 HD12 LEU 61 2HD1 LEU 61 -5.352 -22.011 -29.332 1059 HD13 LEU 61 3HD1 LEU 61 -6.238 -20.502 -29.572 1060 HD21 LEU 61 1HD2 LEU 61 -8.737 -23.321 -30.143 1061 HD22 LEU 61 2HD2 LEU 61 -8.466 -21.896 -29.138 1062 HD23 LEU 61 3HD2 LEU 61 -7.450 -23.327 -28.938 1063 H GLU 62 H GLU 62 -4.574 -21.427 -33.784 1064 HA GLU 62 HA GLU 62 -5.265 -23.836 -35.313 1065 HB2 GLU 62 2HB GLU 62 -2.688 -22.204 -35.183 1066 HB3 GLU 62 3HB GLU 62 -2.909 -23.637 -36.176 1067 HG2 GLU 62 2HG GLU 62 -4.505 -21.073 -36.457 1068 HG3 GLU 62 3HG GLU 62 -3.106 -21.506 -37.441 Start of MODEL 13 1 H1 MET 1 1H MET 1 3.399 -13.865 -26.581 2 H2 MET 1 2H MET 1 2.455 -13.455 -25.246 3 H3 MET 1 3H MET 1 2.818 -15.076 -25.552 4 HA MET 1 HA MET 1 5.144 -14.688 -25.142 5 HB2 MET 1 2HB MET 1 5.212 -12.303 -25.873 6 HB3 MET 1 3HB MET 1 4.249 -11.846 -24.472 7 HG2 MET 1 2HG MET 1 6.624 -11.301 -24.148 8 HG3 MET 1 3HG MET 1 6.084 -12.508 -22.977 9 HE1 MET 1 1HE MET 1 8.779 -12.850 -22.533 10 HE2 MET 1 2HE MET 1 9.236 -11.795 -23.872 11 HE3 MET 1 3HE MET 1 9.884 -13.433 -23.776 12 H GLU 2 H GLU 2 2.657 -12.957 -23.258 13 HA GLU 2 HA GLU 2 3.536 -14.024 -20.720 14 HB2 GLU 2 2HB GLU 2 1.033 -12.447 -21.447 15 HB3 GLU 2 3HB GLU 2 1.561 -12.803 -19.804 16 HG2 GLU 2 2HG GLU 2 3.584 -11.449 -20.127 17 HG3 GLU 2 3HG GLU 2 3.139 -11.165 -21.808 18 H GLU 3 H GLU 3 2.606 -15.647 -19.519 19 HA GLU 3 HA GLU 3 0.727 -17.464 -20.843 20 HB2 GLU 3 2HB GLU 3 2.819 -18.292 -19.680 21 HB3 GLU 3 3HB GLU 3 2.129 -17.775 -18.145 22 HG2 GLU 3 2HG GLU 3 1.863 -20.194 -18.479 23 HG3 GLU 3 3HG GLU 3 0.295 -19.391 -18.413 24 H LEU 4 H LEU 4 -1.222 -18.212 -19.784 25 HA LEU 4 HA LEU 4 -3.197 -18.068 -18.709 26 HB2 LEU 4 2HB LEU 4 -1.688 -16.452 -16.613 27 HB3 LEU 4 3HB LEU 4 -3.270 -17.181 -16.383 28 HG LEU 4 HG LEU 4 -0.640 -18.684 -16.767 29 HD11 LEU 4 1HD1 LEU 4 -0.833 -17.704 -14.545 30 HD12 LEU 4 2HD1 LEU 4 -0.971 -19.457 -14.467 31 HD13 LEU 4 3HD1 LEU 4 -2.417 -18.456 -14.318 32 HD21 LEU 4 1HD2 LEU 4 -1.920 -20.754 -16.382 33 HD22 LEU 4 2HD2 LEU 4 -2.435 -19.933 -17.852 34 HD23 LEU 4 3HD2 LEU 4 -3.427 -19.833 -16.394 35 H SER 5 H SER 5 -2.180 -15.894 -20.548 36 HA SER 5 HA SER 5 -3.634 -13.484 -19.783 37 HB2 SER 5 2HB SER 5 -2.594 -12.581 -21.880 38 HB3 SER 5 3HB SER 5 -1.403 -13.273 -20.778 39 HG SER 5 HG SER 5 -2.127 -14.062 -23.314 40 H GLY 6 H GLY 6 -4.631 -12.476 -22.088 41 HA2 GLY 6 2HA GLY 6 -6.078 -12.751 -23.910 42 HA3 GLY 6 3HA GLY 6 -6.312 -14.441 -23.486 43 H LYS 7 H LYS 7 -7.644 -14.903 -21.567 44 HA LYS 7 HA LYS 7 -9.988 -13.263 -21.357 45 HB2 LYS 7 2HB LYS 7 -10.912 -14.932 -19.967 46 HB3 LYS 7 3HB LYS 7 -9.884 -15.826 -21.064 47 HG2 LYS 7 2HG LYS 7 -9.187 -15.123 -18.197 48 HG3 LYS 7 3HG LYS 7 -9.832 -16.671 -18.737 49 HD2 LYS 7 2HD LYS 7 -7.807 -17.023 -20.120 50 HD3 LYS 7 3HD LYS 7 -7.155 -15.484 -19.551 51 HE2 LYS 7 2HE LYS 7 -7.812 -17.872 -17.789 52 HE3 LYS 7 3HE LYS 7 -6.200 -17.421 -18.336 53 HZ1 LYS 7 1HZ LYS 7 -6.350 -15.385 -17.081 54 HZ2 LYS 7 2HZ LYS 7 -6.689 -16.693 -16.061 55 HZ3 LYS 7 3HZ LYS 7 -7.946 -15.720 -16.630 56 HA PRO 8 HA PRO 8 -8.678 -10.393 -18.273 57 HB2 PRO 8 2HB PRO 8 -10.897 -9.776 -16.832 58 HB3 PRO 8 3HB PRO 8 -10.811 -9.437 -18.572 59 HG2 PRO 8 2HG PRO 8 -12.105 -11.773 -17.193 60 HG3 PRO 8 3HG PRO 8 -12.768 -10.718 -18.462 61 HD2 PRO 8 2HD PRO 8 -11.684 -13.143 -19.039 62 HD3 PRO 8 3HD PRO 8 -11.564 -11.768 -20.160 63 H LEU 9 H LEU 9 -8.910 -9.821 -15.748 64 HA LEU 9 HA LEU 9 -7.941 -11.957 -14.161 65 HB2 LEU 9 2HB LEU 9 -8.525 -10.330 -12.192 66 HB3 LEU 9 3HB LEU 9 -7.254 -9.914 -13.319 67 HG LEU 9 HG LEU 9 -8.840 -8.347 -14.503 68 HD11 LEU 9 1HD1 LEU 9 -10.728 -8.895 -12.209 69 HD12 LEU 9 2HD1 LEU 9 -10.997 -9.262 -13.914 70 HD13 LEU 9 3HD1 LEU 9 -10.885 -7.585 -13.385 71 HD21 LEU 9 1HD2 LEU 9 -7.234 -7.497 -12.883 72 HD22 LEU 9 2HD2 LEU 9 -8.385 -7.757 -11.570 73 HD23 LEU 9 3HD2 LEU 9 -8.730 -6.565 -12.825 74 H SER 10 H SER 10 -8.969 -13.349 -12.753 75 HA SER 10 HA SER 10 -11.739 -13.927 -13.139 76 HB2 SER 10 2HB SER 10 -9.765 -15.034 -11.098 77 HB3 SER 10 3HB SER 10 -11.347 -15.730 -11.478 78 HG SER 10 HG SER 10 -9.046 -16.200 -12.689 79 H TYR 11 H TYR 11 -13.263 -14.236 -11.231 80 HA TYR 11 HA TYR 11 -13.784 -11.816 -9.913 81 HB2 TYR 11 2HB TYR 11 -15.569 -13.444 -10.313 82 HB3 TYR 11 3HB TYR 11 -14.779 -14.627 -9.275 83 HD1 TYR 11 HD1 TYR 11 -15.935 -11.041 -9.012 84 HD2 TYR 11 HD2 TYR 11 -15.764 -14.879 -7.132 85 HE1 TYR 11 HE1 TYR 11 -17.117 -10.148 -7.059 86 HE2 TYR 11 HE2 TYR 11 -16.953 -13.975 -5.181 87 HH TYR 11 HH TYR 11 -18.486 -11.004 -5.136 88 H ALA 12 H ALA 12 -12.218 -14.785 -8.772 89 HA ALA 12 HA ALA 12 -11.731 -14.097 -6.104 90 HB1 ALA 12 1HB ALA 12 -9.990 -15.837 -6.168 91 HB2 ALA 12 2HB ALA 12 -10.062 -15.861 -7.932 92 HB3 ALA 12 3HB ALA 12 -11.458 -16.375 -6.980 93 H GLU 13 H GLU 13 -9.811 -13.488 -9.040 94 HA GLU 13 HA GLU 13 -7.541 -12.371 -7.747 95 HB2 GLU 13 2HB GLU 13 -8.485 -11.963 -10.619 96 HB3 GLU 13 3HB GLU 13 -6.873 -11.618 -10.007 97 HG2 GLU 13 2HG GLU 13 -8.168 -14.337 -10.270 98 HG3 GLU 13 3HG GLU 13 -6.827 -13.703 -11.222 99 H LYS 14 H LYS 14 -10.447 -10.973 -9.170 100 HA LYS 14 HA LYS 14 -9.702 -8.240 -9.074 101 HB2 LYS 14 2HB LYS 14 -11.428 -9.243 -10.590 102 HB3 LYS 14 3HB LYS 14 -12.481 -9.513 -9.218 103 HG2 LYS 14 2HG LYS 14 -11.568 -6.697 -9.848 104 HG3 LYS 14 3HG LYS 14 -12.836 -7.434 -10.819 105 HD2 LYS 14 2HD LYS 14 -12.934 -7.015 -7.808 106 HD3 LYS 14 3HD LYS 14 -13.780 -6.049 -9.017 107 HE2 LYS 14 2HE LYS 14 -15.001 -8.133 -9.735 108 HE3 LYS 14 3HE LYS 14 -14.251 -8.978 -8.378 109 HZ1 LYS 14 1HZ LYS 14 -16.020 -6.589 -8.147 110 HZ2 LYS 14 2HZ LYS 14 -15.343 -7.442 -6.857 111 HZ3 LYS 14 3HZ LYS 14 -16.500 -8.179 -7.846 112 H GLU 15 H GLU 15 -11.509 -10.359 -6.848 113 HA GLU 15 HA GLU 15 -12.320 -8.229 -5.087 114 HB2 GLU 15 2HB GLU 15 -13.286 -9.923 -3.659 115 HB3 GLU 15 3HB GLU 15 -13.658 -10.326 -5.328 116 HG2 GLU 15 2HG GLU 15 -11.934 -12.050 -5.343 117 HG3 GLU 15 3HG GLU 15 -11.443 -11.609 -3.708 118 H LYS 16 H LYS 16 -9.734 -10.723 -4.989 119 HA LYS 16 HA LYS 16 -8.717 -9.970 -2.432 120 HB2 LYS 16 2HB LYS 16 -6.816 -11.362 -2.849 121 HB3 LYS 16 3HB LYS 16 -8.206 -12.176 -3.551 122 HG2 LYS 16 2HG LYS 16 -7.519 -11.347 -5.809 123 HG3 LYS 16 3HG LYS 16 -6.099 -10.606 -5.072 124 HD2 LYS 16 2HD LYS 16 -5.538 -12.754 -6.156 125 HD3 LYS 16 3HD LYS 16 -5.247 -12.824 -4.418 126 HE2 LYS 16 2HE LYS 16 -7.294 -14.089 -4.086 127 HE3 LYS 16 3HE LYS 16 -7.735 -13.884 -5.784 128 HZ1 LYS 16 1HZ LYS 16 -6.782 -16.078 -5.278 129 HZ2 LYS 16 2HZ LYS 16 -5.320 -15.343 -4.852 130 HZ3 LYS 16 3HZ LYS 16 -5.892 -15.233 -6.438 131 H LEU 17 H LEU 17 -8.304 -8.729 -5.650 132 HA LEU 17 HA LEU 17 -5.936 -7.220 -5.172 133 HB2 LEU 17 2HB LEU 17 -7.136 -8.040 -7.431 134 HB3 LEU 17 3HB LEU 17 -7.871 -6.454 -7.366 135 HG LEU 17 HG LEU 17 -5.829 -6.561 -8.812 136 HD11 LEU 17 1HD1 LEU 17 -5.447 -4.737 -6.423 137 HD12 LEU 17 2HD1 LEU 17 -6.484 -4.407 -7.813 138 HD13 LEU 17 3HD1 LEU 17 -4.741 -4.537 -8.033 139 HD21 LEU 17 1HD2 LEU 17 -3.618 -6.854 -7.841 140 HD22 LEU 17 2HD2 LEU 17 -4.600 -8.267 -7.482 141 HD23 LEU 17 3HD2 LEU 17 -4.300 -7.059 -6.225 142 H LYS 18 H LYS 18 -9.424 -6.282 -5.337 143 HA LYS 18 HA LYS 18 -8.937 -3.524 -4.811 144 HB2 LYS 18 2HB LYS 18 -11.408 -3.343 -4.432 145 HB3 LYS 18 3HB LYS 18 -10.968 -4.118 -5.940 146 HG2 LYS 18 2HG LYS 18 -12.717 -5.453 -5.265 147 HG3 LYS 18 3HG LYS 18 -11.354 -6.352 -4.605 148 HD2 LYS 18 2HD LYS 18 -11.799 -5.273 -2.370 149 HD3 LYS 18 3HD LYS 18 -13.212 -4.482 -3.073 150 HE2 LYS 18 2HE LYS 18 -14.202 -6.699 -3.562 151 HE3 LYS 18 3HE LYS 18 -12.796 -7.480 -2.837 152 HZ1 LYS 18 1HZ LYS 18 -14.755 -5.733 -1.436 153 HZ2 LYS 18 2HZ LYS 18 -13.370 -6.386 -0.721 154 HZ3 LYS 18 3HZ LYS 18 -14.600 -7.404 -1.264 155 H GLU 19 H GLU 19 -9.589 -6.287 -2.655 156 HA GLU 19 HA GLU 19 -9.717 -4.648 -0.278 157 HB2 GLU 19 2HB GLU 19 -9.778 -6.675 1.009 158 HB3 GLU 19 3HB GLU 19 -10.800 -6.908 -0.404 159 HG2 GLU 19 2HG GLU 19 -9.016 -8.215 -1.490 160 HG3 GLU 19 3HG GLU 19 -7.976 -7.960 -0.099 161 H LYS 20 H LYS 20 -7.131 -6.285 -2.082 162 HA LYS 20 HA LYS 20 -5.015 -5.868 -0.285 163 HB2 LYS 20 2HB LYS 20 -4.195 -7.133 -2.014 164 HB3 LYS 20 3HB LYS 20 -5.199 -6.349 -3.223 165 HG2 LYS 20 2HG LYS 20 -3.642 -4.580 -3.548 166 HG3 LYS 20 3HG LYS 20 -2.777 -4.940 -2.053 167 HD2 LYS 20 2HD LYS 20 -2.824 -6.768 -4.483 168 HD3 LYS 20 3HD LYS 20 -1.545 -5.606 -4.137 169 HE2 LYS 20 2HE LYS 20 -1.206 -6.811 -1.911 170 HE3 LYS 20 3HE LYS 20 -2.289 -8.063 -2.517 171 HZ1 LYS 20 1HZ LYS 20 -0.752 -8.405 -4.383 172 HZ2 LYS 20 2HZ LYS 20 0.006 -8.674 -2.897 173 HZ3 LYS 20 3HZ LYS 20 0.293 -7.240 -3.752 174 H LEU 21 H LEU 21 -6.367 -3.745 -2.777 175 HA LEU 21 HA LEU 21 -4.550 -1.615 -2.550 176 HB2 LEU 21 2HB LEU 21 -7.467 -1.517 -3.427 177 HB3 LEU 21 3HB LEU 21 -6.265 -0.278 -3.751 178 HG LEU 21 HG LEU 21 -6.265 -3.101 -4.883 179 HD11 LEU 21 1HD1 LEU 21 -6.677 -2.037 -7.045 180 HD12 LEU 21 2HD1 LEU 21 -6.773 -0.456 -6.264 181 HD13 LEU 21 3HD1 LEU 21 -7.975 -1.698 -5.901 182 HD21 LEU 21 1HD2 LEU 21 -4.351 -2.429 -6.232 183 HD22 LEU 21 2HD2 LEU 21 -3.973 -2.351 -4.515 184 HD23 LEU 21 3HD2 LEU 21 -4.296 -0.866 -5.415 185 H ALA 22 H ALA 22 -7.681 -2.231 -0.981 186 HA ALA 22 HA ALA 22 -7.815 0.196 0.534 187 HB1 ALA 22 1HB ALA 22 -9.812 -1.142 -0.018 188 HB2 ALA 22 2HB ALA 22 -9.670 -0.903 1.722 189 HB3 ALA 22 3HB ALA 22 -9.235 -2.458 1.003 190 H PHE 23 H PHE 23 -6.530 -3.032 1.222 191 HA PHE 23 HA PHE 23 -6.147 -2.751 4.018 192 HB2 PHE 23 2HB PHE 23 -6.195 -4.964 2.979 193 HB3 PHE 23 3HB PHE 23 -4.784 -4.587 2.002 194 HD1 PHE 23 HD1 PHE 23 -5.897 -5.031 5.551 195 HD2 PHE 23 HD2 PHE 23 -2.608 -5.129 2.816 196 HE1 PHE 23 HE1 PHE 23 -4.456 -5.976 7.304 197 HE2 PHE 23 HE2 PHE 23 -1.174 -6.066 4.575 198 HZ PHE 23 HZ PHE 23 -2.095 -6.490 6.824 199 H LEU 24 H LEU 24 -3.813 -2.550 1.322 200 HA LEU 24 HA LEU 24 -1.651 -1.665 2.912 201 HB2 LEU 24 2HB LEU 24 -0.439 -1.272 0.843 202 HB3 LEU 24 3HB LEU 24 -1.264 -2.808 0.806 203 HG LEU 24 HG LEU 24 -3.068 -1.575 -0.648 204 HD11 LEU 24 1HD1 LEU 24 -2.326 0.719 -0.327 205 HD12 LEU 24 2HD1 LEU 24 -2.221 0.272 -2.023 206 HD13 LEU 24 3HD1 LEU 24 -0.756 0.346 -1.042 207 HD21 LEU 24 1HD2 LEU 24 -0.324 -2.170 -1.805 208 HD22 LEU 24 2HD2 LEU 24 -1.832 -2.053 -2.718 209 HD23 LEU 24 3HD2 LEU 24 -1.622 -3.336 -1.530 210 H LYS 25 H LYS 25 -4.237 0.031 1.237 211 HA LYS 25 HA LYS 25 -3.245 2.672 1.320 212 HB2 LYS 25 2HB LYS 25 -5.189 2.037 -0.031 213 HB3 LYS 25 3HB LYS 25 -6.111 1.630 1.410 214 HG2 LYS 25 2HG LYS 25 -6.085 4.027 2.076 215 HG3 LYS 25 3HG LYS 25 -5.201 4.424 0.601 216 HD2 LYS 25 2HD LYS 25 -8.002 3.243 0.763 217 HD3 LYS 25 3HD LYS 25 -7.600 4.905 0.341 218 HE2 LYS 25 2HE LYS 25 -6.866 2.440 -1.280 219 HE3 LYS 25 3HE LYS 25 -8.135 3.606 -1.666 220 HZ1 LYS 25 1HZ LYS 25 -5.224 4.189 -1.538 221 HZ2 LYS 25 2HZ LYS 25 -6.436 5.329 -1.843 222 HZ3 LYS 25 3HZ LYS 25 -6.164 4.079 -2.938 223 H LYS 26 H LYS 26 -5.320 0.918 3.645 224 HA LYS 26 HA LYS 26 -5.716 3.183 5.355 225 HB2 LYS 26 2HB LYS 26 -6.864 1.655 6.874 226 HB3 LYS 26 3HB LYS 26 -7.379 1.351 5.220 227 HG2 LYS 26 2HG LYS 26 -5.923 -0.633 5.112 228 HG3 LYS 26 3HG LYS 26 -5.368 -0.327 6.760 229 HD2 LYS 26 2HD LYS 26 -7.704 -0.649 7.583 230 HD3 LYS 26 3HD LYS 26 -8.223 -0.997 5.930 231 HE2 LYS 26 2HE LYS 26 -6.713 -2.963 5.880 232 HE3 LYS 26 3HE LYS 26 -6.224 -2.617 7.544 233 HZ1 LYS 26 1HZ LYS 26 -7.962 -4.319 7.412 234 HZ2 LYS 26 2HZ LYS 26 -9.003 -3.203 6.682 235 HZ3 LYS 26 3HZ LYS 26 -8.480 -2.960 8.267 236 H GLU 27 H GLU 27 -3.500 0.384 5.389 237 HA GLU 27 HA GLU 27 -2.365 1.016 7.942 238 HB2 GLU 27 2HB GLU 27 -0.709 -0.666 7.546 239 HB3 GLU 27 3HB GLU 27 -2.239 -1.279 6.937 240 HG2 GLU 27 2HG GLU 27 -1.574 -0.921 4.657 241 HG3 GLU 27 3HG GLU 27 -0.132 -0.037 5.151 242 H TYR 28 H TYR 28 -1.464 1.752 4.572 243 HA TYR 28 HA TYR 28 0.910 3.188 4.930 244 HB2 TYR 28 2HB TYR 28 0.134 2.611 2.706 245 HB3 TYR 28 3HB TYR 28 -1.362 3.503 2.912 246 HD1 TYR 28 HD1 TYR 28 2.292 3.839 2.238 247 HD2 TYR 28 HD2 TYR 28 -1.443 5.897 2.441 248 HE1 TYR 28 HE1 TYR 28 3.299 5.773 1.113 249 HE2 TYR 28 HE2 TYR 28 -0.441 7.830 1.314 250 HH TYR 28 HH TYR 28 1.769 8.820 0.983 251 H SER 29 H SER 29 -2.444 4.252 5.131 252 HA SER 29 HA SER 29 -1.956 7.020 5.362 253 HB2 SER 29 2HB SER 29 -4.137 6.022 4.707 254 HB3 SER 29 3HB SER 29 -4.348 5.378 6.334 255 HG SER 29 HG SER 29 -4.830 7.335 7.057 256 H ARG 30 H ARG 30 -2.590 4.504 7.842 257 HA ARG 30 HA ARG 30 -2.529 6.327 10.056 258 HB2 ARG 30 2HB ARG 30 -2.833 4.391 11.483 259 HB3 ARG 30 3HB ARG 30 -3.828 4.164 10.052 260 HG2 ARG 30 2HG ARG 30 -2.093 2.633 9.122 261 HG3 ARG 30 3HG ARG 30 -1.159 2.824 10.601 262 HD2 ARG 30 2HD ARG 30 -3.096 1.827 11.877 263 HD3 ARG 30 3HD ARG 30 -3.903 1.545 10.328 264 HE ARG 30 HE ARG 30 -1.245 0.445 10.517 265 HH11 ARG 30 1HH1 ARG 30 -4.672 -0.256 11.045 266 HH12 ARG 30 2HH1 ARG 30 -4.449 -1.975 10.986 267 HH21 ARG 30 1HH2 ARG 30 -0.952 -1.784 10.490 268 HH22 ARG 30 2HH2 ARG 30 -2.309 -2.844 10.670 269 H THR 31 H THR 31 -0.135 4.133 8.613 270 HA THR 31 HA THR 31 1.720 4.437 10.799 271 HB THR 31 HB THR 31 1.444 2.258 9.552 272 HG1 THR 31 HG1 THR 31 3.984 3.452 9.972 273 HG21 THR 31 1HG2 THR 31 3.246 3.573 7.482 274 HG22 THR 31 2HG2 THR 31 1.581 3.070 7.209 275 HG23 THR 31 3HG2 THR 31 2.821 1.864 7.551 276 H LEU 32 H LEU 32 1.422 5.715 7.519 277 HA LEU 32 HA LEU 32 3.864 7.183 7.521 278 HB2 LEU 32 2HB LEU 32 2.629 6.771 5.445 279 HB3 LEU 32 3HB LEU 32 1.270 7.717 6.008 280 HG LEU 32 HG LEU 32 3.935 9.128 5.759 281 HD11 LEU 32 1HD1 LEU 32 3.827 7.866 3.653 282 HD12 LEU 32 2HD1 LEU 32 3.636 9.595 3.381 283 HD13 LEU 32 3HD1 LEU 32 2.226 8.534 3.330 284 HD21 LEU 32 1HD2 LEU 32 2.552 11.043 5.073 285 HD22 LEU 32 2HD2 LEU 32 2.013 10.386 6.616 286 HD23 LEU 32 3HD2 LEU 32 1.107 10.027 5.146 287 H ALA 33 H ALA 33 0.543 7.871 8.564 288 HA ALA 33 HA ALA 33 0.734 10.523 9.319 289 HB1 ALA 33 1HB ALA 33 -1.112 10.068 10.875 290 HB2 ALA 33 2HB ALA 33 -0.811 8.329 10.747 291 HB3 ALA 33 3HB ALA 33 -1.366 9.241 9.339 292 H ARG 34 H ARG 34 1.403 7.658 11.384 293 HA ARG 34 HA ARG 34 2.165 9.157 13.689 294 HB2 ARG 34 2HB ARG 34 2.734 7.024 14.696 295 HB3 ARG 34 3HB ARG 34 1.228 6.875 13.805 296 HG2 ARG 34 2HG ARG 34 2.548 5.836 11.916 297 HG3 ARG 34 3HG ARG 34 3.946 5.819 12.988 298 HD2 ARG 34 2HD ARG 34 1.317 4.371 13.419 299 HD3 ARG 34 3HD ARG 34 2.866 3.644 12.985 300 HE ARG 34 HE ARG 34 2.770 5.142 15.497 301 HH11 ARG 34 1HH1 ARG 34 2.673 1.943 13.979 302 HH12 ARG 34 2HH1 ARG 34 3.061 1.102 15.446 303 HH21 ARG 34 1HH2 ARG 34 3.313 4.036 17.405 304 HH22 ARG 34 2HH2 ARG 34 3.425 2.302 17.397 305 H LEU 35 H LEU 35 4.053 7.674 11.044 306 HA LEU 35 HA LEU 35 6.658 8.116 12.016 307 HB2 LEU 35 2HB LEU 35 6.077 6.729 10.015 308 HB3 LEU 35 3HB LEU 35 5.705 8.177 9.111 309 HG LEU 35 HG LEU 35 8.515 7.789 10.231 310 HD11 LEU 35 1HD1 LEU 35 7.570 6.619 7.594 311 HD12 LEU 35 2HD1 LEU 35 8.031 5.706 9.032 312 HD13 LEU 35 3HD1 LEU 35 9.236 6.668 8.186 313 HD21 LEU 35 1HD2 LEU 35 8.025 9.982 9.259 314 HD22 LEU 35 2HD2 LEU 35 7.526 9.229 7.744 315 HD23 LEU 35 3HD2 LEU 35 9.207 9.119 8.278 316 H GLN 36 H GLN 36 4.467 10.182 10.134 317 HA GLN 36 HA GLN 36 6.150 12.421 9.908 318 HB2 GLN 36 2HB GLN 36 3.124 12.204 9.818 319 HB3 GLN 36 3HB GLN 36 3.989 13.700 9.492 320 HG2 GLN 36 2HG GLN 36 4.216 11.126 7.901 321 HG3 GLN 36 3HG GLN 36 3.350 12.578 7.412 322 HE21 GLN 36 1HE2 GLN 36 5.561 11.159 6.082 323 HE22 GLN 36 2HE2 GLN 36 6.815 12.329 5.878 324 H ARG 37 H ARG 37 3.559 11.695 12.297 325 HA ARG 37 HA ARG 37 3.645 14.107 13.736 326 HB2 ARG 37 2HB ARG 37 2.916 11.316 14.756 327 HB3 ARG 37 3HB ARG 37 2.562 12.811 15.609 328 HG2 ARG 37 2HG ARG 37 1.437 11.986 12.920 329 HG3 ARG 37 3HG ARG 37 0.574 11.969 14.452 330 HD2 ARG 37 2HD ARG 37 0.686 14.416 14.577 331 HD3 ARG 37 3HD ARG 37 1.663 14.467 13.105 332 HE ARG 37 HE ARG 37 -0.397 13.336 12.052 333 HH11 ARG 37 1HH1 ARG 37 -0.575 15.800 14.564 334 HH12 ARG 37 2HH1 ARG 37 -2.126 16.377 14.042 335 HH21 ARG 37 1HH2 ARG 37 -2.402 14.152 11.365 336 HH22 ARG 37 2HH2 ARG 37 -3.150 15.448 12.241 337 H ALA 38 H ALA 38 5.636 11.221 14.059 338 HA ALA 38 HA ALA 38 7.125 11.916 16.352 339 HB1 ALA 38 1HB ALA 38 7.114 9.655 15.379 340 HB2 ALA 38 2HB ALA 38 8.761 10.264 15.553 341 HB3 ALA 38 3HB ALA 38 7.986 10.247 13.967 342 H LYS 39 H LYS 39 7.921 12.350 12.862 343 HA LYS 39 HA LYS 39 10.352 13.807 13.437 344 HB2 LYS 39 2HB LYS 39 10.676 13.927 11.029 345 HB3 LYS 39 3HB LYS 39 10.164 12.305 11.475 346 HG2 LYS 39 2HG LYS 39 7.898 12.762 10.679 347 HG3 LYS 39 3HG LYS 39 8.332 14.425 10.298 348 HD2 LYS 39 2HD LYS 39 9.484 11.936 8.964 349 HD3 LYS 39 3HD LYS 39 8.279 13.018 8.268 350 HE2 LYS 39 2HE LYS 39 9.945 14.872 8.336 351 HE3 LYS 39 3HE LYS 39 11.150 13.733 8.948 352 HZ1 LYS 39 1HZ LYS 39 9.771 13.575 6.308 353 HZ2 LYS 39 2HZ LYS 39 10.855 12.424 6.901 354 HZ3 LYS 39 3HZ LYS 39 11.395 13.985 6.569 355 H ARG 40 H ARG 40 7.083 14.852 13.072 356 HA ARG 40 HA ARG 40 7.669 17.527 12.061 357 HB2 ARG 40 2HB ARG 40 5.085 16.389 13.241 358 HB3 ARG 40 3HB ARG 40 5.239 17.994 12.539 359 HG2 ARG 40 2HG ARG 40 5.559 15.375 11.057 360 HG3 ARG 40 3HG ARG 40 4.154 16.425 11.001 361 HD2 ARG 40 2HD ARG 40 5.494 18.181 9.923 362 HD3 ARG 40 3HD ARG 40 6.932 17.152 10.003 363 HE ARG 40 HE ARG 40 5.071 15.642 8.680 364 HH11 ARG 40 1HH1 ARG 40 6.478 18.827 8.087 365 HH12 ARG 40 2HH1 ARG 40 6.300 18.712 6.361 366 HH21 ARG 40 1HH2 ARG 40 4.860 15.488 6.451 367 HH22 ARG 40 2HH2 ARG 40 5.375 16.802 5.433 368 H ALA 41 H ALA 41 6.440 16.159 15.119 369 HA ALA 41 HA ALA 41 6.511 18.592 16.617 370 HB1 ALA 41 1HB ALA 41 5.986 17.126 18.542 371 HB2 ALA 41 2HB ALA 41 6.315 15.697 17.555 372 HB3 ALA 41 3HB ALA 41 4.964 16.759 17.153 373 H GLU 42 H GLU 42 8.612 15.715 16.433 374 HA GLU 42 HA GLU 42 10.605 15.119 17.330 375 HB2 GLU 42 2HB GLU 42 11.250 18.076 16.950 376 HB3 GLU 42 3HB GLU 42 12.446 16.804 17.197 377 HG2 GLU 42 2HG GLU 42 11.615 15.706 15.090 378 HG3 GLU 42 3HG GLU 42 10.579 17.107 14.827 379 H LYS 43 H LYS 43 8.606 15.651 19.148 380 HA LYS 43 HA LYS 43 9.164 17.149 21.402 381 HB2 LYS 43 2HB LYS 43 7.525 15.760 22.569 382 HB3 LYS 43 3HB LYS 43 6.966 16.125 20.947 383 HG2 LYS 43 2HG LYS 43 8.255 13.485 21.687 384 HG3 LYS 43 3HG LYS 43 6.522 13.770 21.788 385 HD2 LYS 43 2HD LYS 43 6.476 14.233 19.340 386 HD3 LYS 43 3HD LYS 43 8.208 13.893 19.257 387 HE2 LYS 43 2HE LYS 43 6.904 11.947 18.532 388 HE3 LYS 43 3HE LYS 43 7.796 11.577 20.005 389 HZ1 LYS 43 1HZ LYS 43 5.749 11.886 21.268 390 HZ2 LYS 43 2HZ LYS 43 5.531 10.710 20.076 391 HZ3 LYS 43 3HZ LYS 43 4.901 12.266 19.860 392 H ALA 44 H ALA 44 10.446 13.999 20.498 393 HA ALA 44 HA ALA 44 11.502 13.213 23.014 394 HB1 ALA 44 1HB ALA 44 12.407 12.444 20.243 395 HB2 ALA 44 2HB ALA 44 11.141 11.644 21.171 396 HB3 ALA 44 3HB ALA 44 12.814 11.591 21.736 397 H LYS 45 H LYS 45 12.727 15.257 20.434 398 HA LYS 45 HA LYS 45 15.432 15.582 21.280 399 HB2 LYS 45 2HB LYS 45 14.604 16.085 18.978 400 HB3 LYS 45 3HB LYS 45 13.627 17.400 19.609 401 HG2 LYS 45 2HG LYS 45 15.808 18.503 20.354 402 HG3 LYS 45 3HG LYS 45 16.655 17.268 19.424 403 HD2 LYS 45 2HD LYS 45 14.630 19.233 18.277 404 HD3 LYS 45 3HD LYS 45 16.376 19.415 18.164 405 HE2 LYS 45 2HE LYS 45 16.501 17.340 16.834 406 HE3 LYS 45 3HE LYS 45 14.748 17.162 16.944 407 HZ1 LYS 45 1HZ LYS 45 14.519 19.302 15.772 408 HZ2 LYS 45 2HZ LYS 45 15.347 18.168 14.836 409 HZ3 LYS 45 3HZ LYS 45 16.198 19.407 15.614 410 H ASN 46 H ASN 46 12.573 16.551 22.730 411 HA ASN 46 HA ASN 46 11.859 17.995 24.273 412 HB2 ASN 46 2HB ASN 46 13.976 17.477 25.517 413 HB3 ASN 46 3HB ASN 46 14.765 18.817 24.707 414 HD21 ASN 46 1HD2 ASN 46 11.434 18.820 26.006 415 HD22 ASN 46 2HD2 ASN 46 11.738 20.001 27.228 416 H SER 47 H SER 47 11.212 18.690 22.040 417 HA SER 47 HA SER 47 12.263 21.165 20.990 418 HB2 SER 47 2HB SER 47 11.316 19.419 19.499 419 HB3 SER 47 3HB SER 47 9.737 19.589 20.269 420 HG SER 47 HG SER 47 9.849 20.759 18.328 421 H LYS 48 H LYS 48 10.911 23.113 20.772 422 HA LYS 48 HA LYS 48 9.632 23.861 23.245 423 HB2 LYS 48 2HB LYS 48 11.138 25.350 21.802 424 HB3 LYS 48 3HB LYS 48 9.808 25.478 20.659 425 HG2 LYS 48 2HG LYS 48 8.414 26.558 22.388 426 HG3 LYS 48 3HG LYS 48 9.729 26.394 23.556 427 HD2 LYS 48 2HD LYS 48 11.160 27.847 22.074 428 HD3 LYS 48 3HD LYS 48 9.763 28.076 21.016 429 HE2 LYS 48 2HE LYS 48 9.991 29.998 22.495 430 HE3 LYS 48 3HE LYS 48 8.529 29.106 22.927 431 HZ1 LYS 48 1HZ LYS 48 9.751 29.746 24.892 432 HZ2 LYS 48 2HZ LYS 48 11.149 28.982 24.340 433 HZ3 LYS 48 3HZ LYS 48 9.790 28.064 24.745 434 H LYS 49 H LYS 49 7.416 24.794 23.340 435 HA LYS 49 HA LYS 49 5.320 23.333 22.247 436 HB2 LYS 49 2HB LYS 49 5.096 24.864 24.193 437 HB3 LYS 49 3HB LYS 49 5.319 26.251 23.137 438 HG2 LYS 49 2HG LYS 49 3.188 25.256 21.876 439 HG3 LYS 49 3HG LYS 49 2.917 24.443 23.418 440 HD2 LYS 49 2HD LYS 49 1.655 26.560 23.306 441 HD3 LYS 49 3HD LYS 49 2.883 26.638 24.572 442 HE2 LYS 49 2HE LYS 49 4.318 28.008 23.185 443 HE3 LYS 49 3HE LYS 49 3.278 27.776 21.780 444 HZ1 LYS 49 1HZ LYS 49 1.550 29.042 22.837 445 HZ2 LYS 49 2HZ LYS 49 2.968 29.958 22.853 446 HZ3 LYS 49 3HZ LYS 49 2.443 29.190 24.264 447 H ALA 50 H ALA 50 3.952 23.627 20.456 448 HA ALA 50 HA ALA 50 4.957 24.827 18.090 449 HB1 ALA 50 1HB ALA 50 2.135 23.869 18.693 450 HB2 ALA 50 2HB ALA 50 3.446 22.888 18.041 451 HB3 ALA 50 3HB ALA 50 2.789 24.219 17.092 452 H ILE 51 H ILE 51 4.493 26.730 17.092 453 HA ILE 51 HA ILE 51 3.763 28.961 18.728 454 HB ILE 51 HB ILE 51 4.057 30.338 16.581 455 HG12 ILE 51 2HG1 ILE 51 5.376 29.044 14.730 456 HG13 ILE 51 3HG1 ILE 51 4.692 27.582 15.422 457 HG21 ILE 51 1HG2 ILE 51 6.519 30.057 16.567 458 HG22 ILE 51 2HG2 ILE 51 6.358 28.527 17.431 459 HG23 ILE 51 3HG2 ILE 51 5.873 30.036 18.208 460 HD11 ILE 51 1HD1 ILE 51 3.106 29.866 14.240 461 HD12 ILE 51 2HD1 ILE 51 2.451 28.341 14.843 462 HD13 ILE 51 3HD1 ILE 51 3.502 28.352 13.427 463 H GLU 52 H GLU 52 1.969 26.899 16.737 464 HA GLU 52 HA GLU 52 -0.236 28.578 16.083 465 HB2 GLU 52 2HB GLU 52 -1.359 26.494 15.413 466 HB3 GLU 52 3HB GLU 52 0.283 26.542 14.784 467 HG2 GLU 52 2HG GLU 52 1.036 24.985 16.526 468 HG3 GLU 52 3HG GLU 52 -0.560 25.004 17.266 469 H ASP 53 H ASP 53 -2.314 28.611 16.952 470 HA ASP 53 HA ASP 53 -2.804 27.217 19.526 471 HB2 ASP 53 2HB ASP 53 -3.756 30.018 18.747 472 HB3 ASP 53 3HB ASP 53 -4.299 29.144 20.173 473 H GLY 54 H GLY 54 -4.001 25.527 18.796 474 HA2 GLY 54 2HA GLY 54 -6.241 25.862 16.952 475 HA3 GLY 54 3HA GLY 54 -5.762 24.383 17.782 476 H VAL 55 H VAL 55 -6.789 27.646 18.768 477 HA VAL 55 HA VAL 55 -8.221 26.565 21.061 478 HB VAL 55 HB VAL 55 -6.757 28.443 21.487 479 HG11 VAL 55 1HG1 VAL 55 -7.094 30.701 20.595 480 HG12 VAL 55 2HG1 VAL 55 -8.405 30.111 19.568 481 HG13 VAL 55 3HG1 VAL 55 -6.754 29.543 19.305 482 HG21 VAL 55 1HG2 VAL 55 -9.660 29.296 21.785 483 HG22 VAL 55 2HG2 VAL 55 -8.296 29.971 22.683 484 HG23 VAL 55 3HG2 VAL 55 -8.748 28.279 22.900 485 HA PRO 56 HA PRO 56 -12.102 26.994 18.714 486 HB2 PRO 56 2HB PRO 56 -13.761 25.830 20.541 487 HB3 PRO 56 3HB PRO 56 -12.644 24.875 19.549 488 HG2 PRO 56 2HG PRO 56 -12.293 25.803 22.377 489 HG3 PRO 56 3HG PRO 56 -12.009 24.183 21.690 490 HD2 PRO 56 2HD PRO 56 -9.988 25.964 22.102 491 HD3 PRO 56 3HD PRO 56 -9.956 24.802 20.755 492 H GLN 57 H GLN 57 -13.306 28.742 18.671 493 HA GLN 57 HA GLN 57 -13.170 30.747 20.747 494 HB2 GLN 57 2HB GLN 57 -14.310 32.251 19.190 495 HB3 GLN 57 3HB GLN 57 -12.955 31.467 18.422 496 HG2 GLN 57 2HG GLN 57 -15.841 30.649 18.018 497 HG3 GLN 57 3HG GLN 57 -14.968 31.754 16.960 498 HE21 GLN 57 1HE2 GLN 57 -13.431 30.922 15.550 499 HE22 GLN 57 2HE2 GLN 57 -13.310 29.239 15.185 500 HA PRO 58 HA PRO 58 -17.192 29.410 22.383 501 HB2 PRO 58 2HB PRO 58 -17.028 30.721 24.801 502 HB3 PRO 58 3HB PRO 58 -16.171 29.207 24.459 503 HG2 PRO 58 2HG PRO 58 -15.077 31.935 24.714 504 HG3 PRO 58 3HG PRO 58 -14.267 30.369 24.903 505 HD2 PRO 58 2HD PRO 58 -14.197 32.107 22.588 506 HD3 PRO 58 3HD PRO 58 -13.430 30.517 22.784 507 H GLU 59 H GLU 59 -16.980 32.635 23.867 508 HA GLU 59 HA GLU 59 -19.272 33.536 22.238 509 HB2 GLU 59 2HB GLU 59 -18.103 34.719 24.802 510 HB3 GLU 59 3HB GLU 59 -19.586 35.230 24.011 511 HG2 GLU 59 2HG GLU 59 -19.098 32.546 25.320 512 HG3 GLU 59 3HG GLU 59 -20.059 33.866 25.980 513 H ALA 60 H ALA 60 -15.944 34.323 23.087 514 HA ALA 60 HA ALA 60 -15.832 36.807 21.604 515 HB1 ALA 60 1HB ALA 60 -13.587 35.099 22.772 516 HB2 ALA 60 2HB ALA 60 -14.377 36.452 23.586 517 HB3 ALA 60 3HB ALA 60 -13.413 36.737 22.137 518 H LEU 61 H LEU 61 -16.395 36.363 19.461 519 HA LEU 61 HA LEU 61 -14.541 34.745 17.846 520 HB2 LEU 61 2HB LEU 61 -16.606 33.788 16.607 521 HB3 LEU 61 3HB LEU 61 -16.152 33.099 18.144 522 HG LEU 61 HG LEU 61 -18.021 34.447 19.232 523 HD11 LEU 61 1HD1 LEU 61 -19.848 35.292 17.850 524 HD12 LEU 61 2HD1 LEU 61 -18.919 34.965 16.386 525 HD13 LEU 61 3HD1 LEU 61 -18.354 36.177 17.540 526 HD21 LEU 61 1HD2 LEU 61 -18.830 32.402 17.137 527 HD22 LEU 61 2HD2 LEU 61 -19.796 32.885 18.535 528 HD23 LEU 61 3HD2 LEU 61 -18.259 32.055 18.771 529 H GLU 62 H GLU 62 -15.319 37.682 18.229 530 HA GLU 62 HA GLU 62 -16.508 38.629 15.842 531 HB2 GLU 62 2HB GLU 62 -16.421 40.003 17.895 532 HB3 GLU 62 3HB GLU 62 -14.663 40.091 17.785 533 HG2 GLU 62 2HG GLU 62 -14.905 41.284 15.599 534 HG3 GLU 62 3HG GLU 62 -16.652 41.264 15.806 535 H1 MET 1 1H MET 1 -0.264 3.864 28.745 536 H2 MET 1 2H MET 1 0.980 3.984 27.610 537 H3 MET 1 3H MET 1 0.846 2.603 28.574 538 HA MET 1 HA MET 1 -1.210 2.007 27.563 539 HB2 MET 1 2HB MET 1 -1.959 4.352 27.087 540 HB3 MET 1 3HB MET 1 -0.811 4.436 25.760 541 HG2 MET 1 2HG MET 1 -2.031 2.738 24.528 542 HG3 MET 1 3HG MET 1 -3.083 2.437 25.913 543 HE1 MET 1 1HE MET 1 -5.360 2.759 24.644 544 HE2 MET 1 2HE MET 1 -4.422 2.867 23.151 545 HE3 MET 1 3HE MET 1 -5.655 4.075 23.510 546 H GLU 2 H GLU 2 1.546 3.459 25.837 547 HA GLU 2 HA GLU 2 1.932 0.915 24.339 548 HB2 GLU 2 2HB GLU 2 2.951 3.715 23.671 549 HB3 GLU 2 3HB GLU 2 3.256 2.265 22.723 550 HG2 GLU 2 2HG GLU 2 0.828 2.075 22.232 551 HG3 GLU 2 3HG GLU 2 0.537 3.527 23.190 552 H GLU 3 H GLU 3 4.007 -0.010 24.343 553 HA GLU 3 HA GLU 3 5.282 0.010 26.843 554 HB2 GLU 3 2HB GLU 3 5.143 -1.975 25.367 555 HB3 GLU 3 3HB GLU 3 6.218 -1.204 24.209 556 HG2 GLU 3 2HG GLU 3 7.441 -2.864 25.486 557 HG3 GLU 3 3HG GLU 3 8.042 -1.261 25.900 558 H LEU 4 H LEU 4 6.427 1.227 23.682 559 HA LEU 4 HA LEU 4 8.836 2.374 24.971 560 HB2 LEU 4 2HB LEU 4 8.360 1.619 22.058 561 HB3 LEU 4 3HB LEU 4 9.853 2.290 22.694 562 HG LEU 4 HG LEU 4 8.688 -0.453 23.333 563 HD11 LEU 4 1HD1 LEU 4 10.680 -1.344 22.217 564 HD12 LEU 4 2HD1 LEU 4 11.210 0.293 21.820 565 HD13 LEU 4 3HD1 LEU 4 9.719 -0.349 21.126 566 HD21 LEU 4 1HD2 LEU 4 10.714 -0.866 24.672 567 HD22 LEU 4 2HD2 LEU 4 9.729 0.428 25.345 568 HD23 LEU 4 3HD2 LEU 4 11.204 0.817 24.456 569 H SER 5 H SER 5 6.042 3.618 24.705 570 HA SER 5 HA SER 5 6.393 5.929 23.015 571 HB2 SER 5 2HB SER 5 4.334 6.796 24.192 572 HB3 SER 5 3HB SER 5 4.119 5.195 23.485 573 HG SER 5 HG SER 5 5.019 5.072 26.059 574 H GLY 6 H GLY 6 8.409 6.680 23.627 575 HA2 GLY 6 2HA GLY 6 8.474 8.695 25.702 576 HA3 GLY 6 3HA GLY 6 9.533 7.321 26.036 577 H LYS 7 H LYS 7 10.559 6.609 23.686 578 HA LYS 7 HA LYS 7 11.778 9.004 22.421 579 HB2 LYS 7 2HB LYS 7 13.698 7.793 22.028 580 HB3 LYS 7 3HB LYS 7 13.175 6.956 23.464 581 HG2 LYS 7 2HG LYS 7 12.888 5.983 20.606 582 HG3 LYS 7 3HG LYS 7 14.086 5.443 21.777 583 HD2 LYS 7 2HD LYS 7 12.209 4.529 23.186 584 HD3 LYS 7 3HD LYS 7 11.089 4.963 21.888 585 HE2 LYS 7 2HE LYS 7 13.328 2.912 21.810 586 HE3 LYS 7 3HE LYS 7 11.603 2.648 21.570 587 HZ1 LYS 7 1HZ LYS 7 11.774 3.954 19.492 588 HZ2 LYS 7 2HZ LYS 7 12.726 2.562 19.462 589 HZ3 LYS 7 3HZ LYS 7 13.450 4.069 19.706 590 HA PRO 8 HA PRO 8 9.308 8.090 18.781 591 HB2 PRO 8 2HB PRO 8 11.435 8.563 16.785 592 HB3 PRO 8 3HB PRO 8 10.087 9.622 17.244 593 HG2 PRO 8 2HG PRO 8 12.681 10.217 17.820 594 HG3 PRO 8 3HG PRO 8 11.312 10.758 18.821 595 HD2 PRO 8 2HD PRO 8 13.183 8.426 19.287 596 HD3 PRO 8 3HD PRO 8 12.579 9.642 20.439 597 H LEU 9 H LEU 9 9.648 6.922 16.355 598 HA LEU 9 HA LEU 9 10.185 4.167 16.836 599 HB2 LEU 9 2HB LEU 9 10.194 4.116 14.167 600 HB3 LEU 9 3HB LEU 9 8.719 4.332 15.078 601 HG LEU 9 HG LEU 9 8.822 6.805 14.649 602 HD11 LEU 9 1HD1 LEU 9 11.154 6.163 12.846 603 HD12 LEU 9 2HD1 LEU 9 11.186 7.139 14.314 604 HD13 LEU 9 3HD1 LEU 9 10.290 7.705 12.904 605 HD21 LEU 9 1HD2 LEU 9 7.439 5.378 13.237 606 HD22 LEU 9 2HD2 LEU 9 8.800 5.097 12.148 607 HD23 LEU 9 3HD2 LEU 9 8.115 6.717 12.309 608 H SER 10 H SER 10 11.979 2.885 16.361 609 HA SER 10 HA SER 10 14.562 4.078 16.518 610 HB2 SER 10 2HB SER 10 13.788 1.188 15.914 611 HB3 SER 10 3HB SER 10 15.387 1.743 16.424 612 HG SER 10 HG SER 10 13.651 0.895 18.020 613 H TYR 11 H TYR 11 16.389 3.379 14.950 614 HA TYR 11 HA TYR 11 15.933 4.499 12.416 615 HB2 TYR 11 2HB TYR 11 18.183 4.443 13.424 616 HB3 TYR 11 3HB TYR 11 18.219 2.686 13.307 617 HD1 TYR 11 HD1 TYR 11 17.541 5.587 11.000 618 HD2 TYR 11 HD2 TYR 11 19.571 1.859 11.519 619 HE1 TYR 11 HE1 TYR 11 18.506 5.803 8.761 620 HE2 TYR 11 HE2 TYR 11 20.550 2.077 9.263 621 HH TYR 11 HH TYR 11 20.081 3.289 7.143 622 H ALA 12 H ALA 12 16.165 1.108 13.453 623 HA ALA 12 HA ALA 12 15.855 -0.177 10.983 624 HB1 ALA 12 1HB ALA 12 15.170 -2.142 12.299 625 HB2 ALA 12 2HB ALA 12 14.961 -1.122 13.727 626 HB3 ALA 12 3HB ALA 12 16.565 -1.342 13.021 627 H GLU 13 H GLU 13 13.430 0.973 13.325 628 HA GLU 13 HA GLU 13 11.147 -0.106 12.021 629 HB2 GLU 13 2HB GLU 13 11.288 2.265 13.932 630 HB3 GLU 13 3HB GLU 13 9.833 1.381 13.495 631 HG2 GLU 13 2HG GLU 13 12.186 0.326 15.064 632 HG3 GLU 13 3HG GLU 13 10.572 0.672 15.678 633 H LYS 14 H LYS 14 12.756 3.022 11.872 634 HA LYS 14 HA LYS 14 10.804 4.423 10.358 635 HB2 LYS 14 2HB LYS 14 12.511 5.458 11.874 636 HB3 LYS 14 3HB LYS 14 13.783 5.013 10.756 637 HG2 LYS 14 2HG LYS 14 11.529 6.786 9.794 638 HG3 LYS 14 3HG LYS 14 12.790 7.474 10.808 639 HD2 LYS 14 2HD LYS 14 13.233 6.093 8.137 640 HD3 LYS 14 3HD LYS 14 13.264 7.835 8.420 641 HE2 LYS 14 2HE LYS 14 15.182 7.492 10.016 642 HE3 LYS 14 3HE LYS 14 15.202 5.786 9.559 643 HZ1 LYS 14 1HZ LYS 14 15.614 8.066 7.692 644 HZ2 LYS 14 2HZ LYS 14 15.674 6.431 7.276 645 HZ3 LYS 14 3HZ LYS 14 16.841 7.081 8.308 646 H GLU 15 H GLU 15 13.743 2.609 9.486 647 HA GLU 15 HA GLU 15 13.713 3.412 6.718 648 HB2 GLU 15 2HB GLU 15 15.583 1.926 6.382 649 HB3 GLU 15 3HB GLU 15 15.824 2.791 7.893 650 HG2 GLU 15 2HG GLU 15 15.159 0.819 9.175 651 HG3 GLU 15 3HG GLU 15 14.792 -0.052 7.685 652 H LYS 16 H LYS 16 12.691 0.463 8.499 653 HA LYS 16 HA LYS 16 11.867 -0.996 6.189 654 HB2 LYS 16 2HB LYS 16 10.825 -2.589 7.638 655 HB3 LYS 16 3HB LYS 16 12.299 -2.067 8.438 656 HG2 LYS 16 2HG LYS 16 10.932 -0.547 9.890 657 HG3 LYS 16 3HG LYS 16 9.479 -1.168 9.110 658 HD2 LYS 16 2HD LYS 16 9.851 -2.245 11.302 659 HD3 LYS 16 3HD LYS 16 9.933 -3.423 9.992 660 HE2 LYS 16 2HE LYS 16 12.352 -3.480 10.127 661 HE3 LYS 16 3HE LYS 16 12.359 -2.139 11.275 662 HZ1 LYS 16 1HZ LYS 16 12.663 -4.321 12.332 663 HZ2 LYS 16 2HZ LYS 16 11.125 -4.790 11.808 664 HZ3 LYS 16 3HZ LYS 16 11.292 -3.514 12.905 665 H LEU 17 H LEU 17 10.398 1.475 8.139 666 HA LEU 17 HA LEU 17 7.711 1.075 7.278 667 HB2 LEU 17 2HB LEU 17 8.773 2.403 9.370 668 HB3 LEU 17 3HB LEU 17 8.632 3.770 8.288 669 HG LEU 17 HG LEU 17 6.695 3.516 9.859 670 HD11 LEU 17 1HD1 LEU 17 5.875 3.179 6.960 671 HD12 LEU 17 2HD1 LEU 17 6.392 4.692 7.710 672 HD13 LEU 17 3HD1 LEU 17 4.918 3.904 8.261 673 HD21 LEU 17 1HD2 LEU 17 5.116 1.680 9.604 674 HD22 LEU 17 2HD2 LEU 17 6.708 1.028 9.957 675 HD23 LEU 17 3HD2 LEU 17 6.074 0.967 8.305 676 H LYS 18 H LYS 18 10.250 3.454 6.302 677 HA LYS 18 HA LYS 18 8.575 4.766 4.397 678 HB2 LYS 18 2HB LYS 18 10.671 5.874 3.586 679 HB3 LYS 18 3HB LYS 18 10.418 5.997 5.316 680 HG2 LYS 18 2HG LYS 18 12.683 5.588 5.224 681 HG3 LYS 18 3HG LYS 18 12.060 3.956 5.451 682 HD2 LYS 18 2HD LYS 18 12.277 3.594 2.964 683 HD3 LYS 18 3HD LYS 18 12.989 5.203 2.828 684 HE2 LYS 18 2HE LYS 18 14.825 4.493 4.343 685 HE3 LYS 18 3HE LYS 18 14.122 2.878 4.418 686 HZ1 LYS 18 1HZ LYS 18 15.226 4.206 1.995 687 HZ2 LYS 18 2HZ LYS 18 14.457 2.704 1.993 688 HZ3 LYS 18 3HZ LYS 18 15.908 2.907 2.834 689 H GLU 19 H GLU 19 10.827 2.010 4.121 690 HA GLU 19 HA GLU 19 10.561 1.804 1.256 691 HB2 GLU 19 2HB GLU 19 11.783 -0.260 1.382 692 HB3 GLU 19 3HB GLU 19 12.539 0.878 2.490 693 HG2 GLU 19 2HG GLU 19 11.436 -0.218 4.395 694 HG3 GLU 19 3HG GLU 19 10.629 -1.332 3.302 695 H LYS 20 H LYS 20 8.812 0.486 4.051 696 HA LYS 20 HA LYS 20 7.080 -1.276 2.722 697 HB2 LYS 20 2HB LYS 20 6.703 -1.515 4.977 698 HB3 LYS 20 3HB LYS 20 6.986 0.182 5.327 699 HG2 LYS 20 2HG LYS 20 4.736 0.787 4.848 700 HG3 LYS 20 3HG LYS 20 4.412 -0.721 3.990 701 HD2 LYS 20 2HD LYS 20 4.943 -0.532 6.981 702 HD3 LYS 20 3HD LYS 20 3.337 -0.583 6.255 703 HE2 LYS 20 2HE LYS 20 4.001 -2.804 5.201 704 HE3 LYS 20 3HE LYS 20 5.449 -2.757 6.203 705 HZ1 LYS 20 1HZ LYS 20 4.038 -2.704 8.180 706 HZ2 LYS 20 2HZ LYS 20 3.695 -4.063 7.227 707 HZ3 LYS 20 3HZ LYS 20 2.649 -2.741 7.214 708 H LEU 21 H LEU 21 6.809 2.206 3.298 709 HA LEU 21 HA LEU 21 4.259 2.626 2.204 710 HB2 LEU 21 2HB LEU 21 6.584 4.590 2.362 711 HB3 LEU 21 3HB LEU 21 4.898 5.024 2.124 712 HG LEU 21 HG LEU 21 6.083 3.791 4.639 713 HD11 LEU 21 1HD1 LEU 21 5.570 5.931 5.710 714 HD12 LEU 21 2HD1 LEU 21 5.028 6.587 4.163 715 HD13 LEU 21 3HD1 LEU 21 6.715 6.123 4.385 716 HD21 LEU 21 1HD2 LEU 21 3.897 4.082 5.671 717 HD22 LEU 21 2HD2 LEU 21 3.808 2.976 4.305 718 HD23 LEU 21 3HD2 LEU 21 3.222 4.633 4.135 719 H ALA 22 H ALA 22 7.503 2.832 0.773 720 HA ALA 22 HA ALA 22 6.703 3.647 -1.852 721 HB1 ALA 22 1HB ALA 22 8.970 4.036 -0.964 722 HB2 ALA 22 2HB ALA 22 9.028 3.137 -2.479 723 HB3 ALA 22 3HB ALA 22 9.278 2.299 -0.942 724 H PHE 23 H PHE 23 7.233 0.485 -0.349 725 HA PHE 23 HA PHE 23 7.252 -1.108 -2.705 726 HB2 PHE 23 2HB PHE 23 8.186 -1.961 -0.615 727 HB3 PHE 23 3HB PHE 23 6.631 -1.834 0.191 728 HD1 PHE 23 HD1 PHE 23 8.383 -3.630 -2.598 729 HD2 PHE 23 HD2 PHE 23 5.171 -3.712 0.226 730 HE1 PHE 23 HE1 PHE 23 7.899 -5.965 -3.207 731 HE2 PHE 23 HE2 PHE 23 4.686 -6.037 -0.393 732 HZ PHE 23 HZ PHE 23 6.048 -7.172 -2.112 733 H LEU 24 H LEU 24 4.708 -0.573 -0.261 734 HA LEU 24 HA LEU 24 2.678 -1.919 -1.691 735 HB2 LEU 24 2HB LEU 24 1.113 -1.076 -0.042 736 HB3 LEU 24 3HB LEU 24 2.562 -1.669 0.722 737 HG LEU 24 HG LEU 24 3.264 0.849 0.897 738 HD11 LEU 24 1HD1 LEU 24 1.570 1.824 -0.555 739 HD12 LEU 24 2HD1 LEU 24 1.414 2.446 1.079 740 HD13 LEU 24 3HD1 LEU 24 0.283 1.226 0.493 741 HD21 LEU 24 1HD2 LEU 24 0.995 -0.215 2.613 742 HD22 LEU 24 2HD2 LEU 24 2.083 1.110 3.037 743 HD23 LEU 24 3HD2 LEU 24 2.719 -0.521 2.848 744 H LYS 25 H LYS 25 3.823 1.401 -1.740 745 HA LYS 25 HA LYS 25 1.703 2.638 -3.142 746 HB2 LYS 25 2HB LYS 25 3.452 3.933 -2.021 747 HB3 LYS 25 3HB LYS 25 4.688 3.275 -3.088 748 HG2 LYS 25 2HG LYS 25 3.634 4.455 -5.004 749 HG3 LYS 25 3HG LYS 25 2.431 5.145 -3.913 750 HD2 LYS 25 2HD LYS 25 5.435 5.620 -3.813 751 HD3 LYS 25 3HD LYS 25 4.227 6.769 -4.382 752 HE2 LYS 25 2HE LYS 25 4.499 5.731 -1.540 753 HE3 LYS 25 3HE LYS 25 4.955 7.335 -2.111 754 HZ1 LYS 25 1HZ LYS 25 2.199 6.231 -2.072 755 HZ2 LYS 25 2HZ LYS 25 2.631 7.743 -2.683 756 HZ3 LYS 25 3HZ LYS 25 2.821 7.410 -1.039 757 H LYS 26 H LYS 26 4.718 1.138 -4.352 758 HA LYS 26 HA LYS 26 4.239 1.858 -7.087 759 HB2 LYS 26 2HB LYS 26 6.224 0.549 -7.628 760 HB3 LYS 26 3HB LYS 26 6.535 1.534 -6.203 761 HG2 LYS 26 2HG LYS 26 6.222 -0.431 -4.753 762 HG3 LYS 26 3HG LYS 26 5.873 -1.429 -6.166 763 HD2 LYS 26 2HD LYS 26 8.172 -0.996 -7.021 764 HD3 LYS 26 3HD LYS 26 8.516 -0.031 -5.580 765 HE2 LYS 26 2HE LYS 26 8.137 -2.031 -4.164 766 HE3 LYS 26 3HE LYS 26 7.821 -2.988 -5.618 767 HZ1 LYS 26 1HZ LYS 26 10.094 -3.260 -4.854 768 HZ2 LYS 26 2HZ LYS 26 10.369 -1.597 -4.983 769 HZ3 LYS 26 3HZ LYS 26 10.069 -2.513 -6.370 770 H GLU 27 H GLU 27 3.706 -1.105 -5.153 771 HA GLU 27 HA GLU 27 2.837 -2.693 -7.374 772 HB2 GLU 27 2HB GLU 27 2.120 -4.371 -5.814 773 HB3 GLU 27 3HB GLU 27 3.642 -3.716 -5.232 774 HG2 GLU 27 2HG GLU 27 2.514 -2.439 -3.515 775 HG3 GLU 27 3HG GLU 27 0.935 -2.886 -4.157 776 H TYR 28 H TYR 28 1.161 -0.699 -4.945 777 HA TYR 28 HA TYR 28 -1.515 -1.102 -5.647 778 HB2 TYR 28 2HB TYR 28 -0.936 0.167 -3.664 779 HB3 TYR 28 3HB TYR 28 -0.044 1.358 -4.594 780 HD1 TYR 28 HD1 TYR 28 -3.452 0.215 -3.620 781 HD2 TYR 28 HD2 TYR 28 -1.209 3.254 -5.614 782 HE1 TYR 28 HE1 TYR 28 -5.435 1.657 -3.647 783 HE2 TYR 28 HE2 TYR 28 -3.193 4.700 -5.647 784 HH TYR 28 HH TYR 28 -5.630 4.487 -5.546 785 H SER 29 H SER 29 0.882 1.119 -6.983 786 HA SER 29 HA SER 29 -0.834 2.583 -8.679 787 HB2 SER 29 2HB SER 29 1.390 3.371 -7.915 788 HB3 SER 29 3HB SER 29 2.180 2.117 -8.872 789 HG SER 29 HG SER 29 1.771 3.213 -10.670 790 H ARG 30 H ARG 30 1.331 -0.211 -9.318 791 HA ARG 30 HA ARG 30 0.780 -0.288 -12.138 792 HB2 ARG 30 2HB ARG 30 2.212 -2.242 -12.223 793 HB3 ARG 30 3HB ARG 30 2.934 -1.098 -11.101 794 HG2 ARG 30 2HG ARG 30 2.008 -2.418 -9.199 795 HG3 ARG 30 3HG ARG 30 1.363 -3.583 -10.351 796 HD2 ARG 30 2HD ARG 30 3.715 -4.039 -11.120 797 HD3 ARG 30 3HD ARG 30 4.295 -2.964 -9.838 798 HE ARG 30 HE ARG 30 2.554 -5.097 -8.951 799 HH11 ARG 30 1HH1 ARG 30 5.915 -4.200 -9.505 800 HH12 ARG 30 2HH1 ARG 30 6.541 -5.426 -8.446 801 HH21 ARG 30 1HH2 ARG 30 3.374 -6.740 -7.634 802 HH22 ARG 30 2HH2 ARG 30 5.089 -6.863 -7.387 803 H THR 31 H THR 31 -0.462 -2.074 -9.331 804 HA THR 31 HA THR 31 -1.861 -4.010 -10.945 805 HB THR 31 HB THR 31 -0.770 -4.608 -8.739 806 HG1 THR 31 HG1 THR 31 -3.460 -5.276 -9.361 807 HG21 THR 31 1HG2 THR 31 -3.297 -3.413 -7.539 808 HG22 THR 31 2HG2 THR 31 -1.669 -2.784 -7.309 809 HG23 THR 31 3HG2 THR 31 -2.095 -4.375 -6.680 810 H LEU 32 H LEU 32 -2.743 -1.128 -9.093 811 HA LEU 32 HA LEU 32 -5.556 -1.327 -9.514 812 HB2 LEU 32 2HB LEU 32 -4.622 0.185 -7.826 813 HB3 LEU 32 3HB LEU 32 -3.814 1.132 -9.055 814 HG LEU 32 HG LEU 32 -6.820 0.952 -9.243 815 HD11 LEU 32 1HD1 LEU 32 -6.509 1.327 -6.838 816 HD12 LEU 32 2HD1 LEU 32 -7.200 2.741 -7.630 817 HD13 LEU 32 3HD1 LEU 32 -5.492 2.727 -7.183 818 HD21 LEU 32 1HD2 LEU 32 -6.634 3.292 -9.977 819 HD22 LEU 32 2HD2 LEU 32 -5.603 2.231 -10.933 820 HD23 LEU 32 3HD2 LEU 32 -4.894 3.247 -9.678 821 H ALA 33 H ALA 33 -2.851 0.118 -11.311 822 HA ALA 33 HA ALA 33 -4.185 1.348 -13.398 823 HB1 ALA 33 1HB ALA 33 -2.124 1.058 -14.704 824 HB2 ALA 33 2HB ALA 33 -1.552 -0.164 -13.560 825 HB3 ALA 33 3HB ALA 33 -1.757 1.512 -13.041 826 H ARG 34 H ARG 34 -3.022 -2.048 -13.315 827 HA ARG 34 HA ARG 34 -4.028 -2.737 -15.891 828 HB2 ARG 34 2HB ARG 34 -3.315 -4.998 -15.387 829 HB3 ARG 34 3HB ARG 34 -2.099 -3.857 -14.833 830 HG2 ARG 34 2HG ARG 34 -3.060 -4.102 -12.506 831 HG3 ARG 34 3HG ARG 34 -4.063 -5.407 -13.133 832 HD2 ARG 34 2HD ARG 34 -1.033 -5.335 -13.079 833 HD3 ARG 34 3HD ARG 34 -2.084 -6.302 -12.039 834 HE ARG 34 HE ARG 34 -2.300 -6.743 -14.922 835 HH11 ARG 34 1HH1 ARG 34 -0.992 -7.927 -11.846 836 HH12 ARG 34 2HH1 ARG 34 -0.702 -9.527 -12.458 837 HH21 ARG 34 1HH2 ARG 34 -1.905 -8.825 -15.692 838 HH22 ARG 34 2HH2 ARG 34 -1.227 -10.030 -14.647 839 H LEU 35 H LEU 35 -5.378 -3.127 -12.601 840 HA LEU 35 HA LEU 35 -7.677 -4.633 -13.226 841 HB2 LEU 35 2HB LEU 35 -6.834 -4.124 -10.914 842 HB3 LEU 35 3HB LEU 35 -7.396 -2.476 -11.076 843 HG LEU 35 HG LEU 35 -9.374 -4.791 -11.283 844 HD11 LEU 35 1HD1 LEU 35 -8.479 -3.510 -8.679 845 HD12 LEU 35 2HD1 LEU 35 -8.171 -5.171 -9.190 846 HD13 LEU 35 3HD1 LEU 35 -9.820 -4.647 -8.877 847 HD21 LEU 35 1HD2 LEU 35 -10.248 -2.587 -11.902 848 HD22 LEU 35 2HD2 LEU 35 -9.742 -1.925 -10.352 849 HD23 LEU 35 3HD2 LEU 35 -11.004 -3.157 -10.415 850 H GLN 36 H GLN 36 -7.081 -1.125 -13.246 851 HA GLN 36 HA GLN 36 -9.643 -0.309 -14.065 852 HB2 GLN 36 2HB GLN 36 -6.945 1.046 -14.359 853 HB3 GLN 36 3HB GLN 36 -8.458 1.818 -14.814 854 HG2 GLN 36 2HG GLN 36 -7.690 0.900 -12.024 855 HG3 GLN 36 3HG GLN 36 -7.719 2.562 -12.603 856 HE21 GLN 36 1HE2 GLN 36 -9.179 1.306 -10.372 857 HE22 GLN 36 2HE2 GLN 36 -10.852 1.610 -10.683 858 H ARG 37 H ARG 37 -6.675 -0.910 -16.002 859 HA ARG 37 HA ARG 37 -7.662 -0.172 -18.523 860 HB2 ARG 37 2HB ARG 37 -5.533 -2.273 -17.874 861 HB3 ARG 37 3HB ARG 37 -5.804 -1.593 -19.471 862 HG2 ARG 37 2HG ARG 37 -4.874 -0.067 -17.025 863 HG3 ARG 37 3HG ARG 37 -3.870 -0.553 -18.384 864 HD2 ARG 37 2HD ARG 37 -5.099 0.945 -19.876 865 HD3 ARG 37 3HD ARG 37 -6.220 1.363 -18.576 866 HE ARG 37 HE ARG 37 -4.059 2.184 -17.422 867 HH11 ARG 37 1HH1 ARG 37 -4.732 2.501 -20.857 868 HH12 ARG 37 2HH1 ARG 37 -3.779 3.941 -21.032 869 HH21 ARG 37 1HH2 ARG 37 -2.867 4.103 -17.650 870 HH22 ARG 37 2HH2 ARG 37 -2.723 4.843 -19.212 871 H ALA 38 H ALA 38 -7.942 -3.234 -16.809 872 HA ALA 38 HA ALA 38 -9.192 -4.777 -18.814 873 HB1 ALA 38 1HB ALA 38 -8.243 -5.743 -16.751 874 HB2 ALA 38 2HB ALA 38 -9.926 -6.231 -16.967 875 HB3 ALA 38 3HB ALA 38 -9.511 -4.977 -15.795 876 H LYS 39 H LYS 39 -10.646 -2.876 -16.118 877 HA LYS 39 HA LYS 39 -13.350 -3.412 -17.006 878 HB2 LYS 39 2HB LYS 39 -14.074 -2.134 -15.066 879 HB3 LYS 39 3HB LYS 39 -12.774 -3.222 -14.599 880 HG2 LYS 39 2HG LYS 39 -11.177 -1.375 -14.590 881 HG3 LYS 39 3HG LYS 39 -12.415 -0.258 -15.160 882 HD2 LYS 39 2HD LYS 39 -12.434 -1.707 -12.478 883 HD3 LYS 39 3HD LYS 39 -12.012 -0.014 -12.733 884 HE2 LYS 39 2HE LYS 39 -14.322 0.398 -13.583 885 HE3 LYS 39 3HE LYS 39 -14.726 -1.279 -13.215 886 HZ1 LYS 39 1HZ LYS 39 -13.895 0.798 -11.253 887 HZ2 LYS 39 2HZ LYS 39 -14.166 -0.815 -10.874 888 HZ3 LYS 39 3HZ LYS 39 -15.447 0.141 -11.422 889 H ARG 40 H ARG 40 -11.102 -0.939 -17.851 890 HA ARG 40 HA ARG 40 -13.057 1.137 -18.473 891 HB2 ARG 40 2HB ARG 40 -10.095 0.947 -19.203 892 HB3 ARG 40 3HB ARG 40 -11.117 2.341 -19.524 893 HG2 ARG 40 2HG ARG 40 -10.389 1.288 -16.780 894 HG3 ARG 40 3HG ARG 40 -9.660 2.678 -17.568 895 HD2 ARG 40 2HD ARG 40 -11.792 3.866 -17.492 896 HD3 ARG 40 3HD ARG 40 -12.577 2.451 -16.780 897 HE ARG 40 HE ARG 40 -10.506 3.011 -15.079 898 HH11 ARG 40 1HH1 ARG 40 -13.272 4.849 -16.250 899 HH12 ARG 40 2HH1 ARG 40 -13.388 5.810 -14.807 900 HH21 ARG 40 1HH2 ARG 40 -10.675 4.256 -13.211 901 HH22 ARG 40 2HH2 ARG 40 -11.907 5.473 -13.083 902 H ALA 41 H ALA 41 -10.870 -0.983 -20.305 903 HA ALA 41 HA ALA 41 -11.802 -0.226 -22.898 904 HB1 ALA 41 1HB ALA 41 -10.329 -2.053 -23.680 905 HB2 ALA 41 2HB ALA 41 -10.112 -2.602 -22.013 906 HB3 ALA 41 3HB ALA 41 -9.511 -1.017 -22.509 907 H GLU 42 H GLU 42 -12.256 -3.080 -20.817 908 HA GLU 42 HA GLU 42 -13.584 -4.894 -20.853 909 HB2 GLU 42 2HB GLU 42 -15.586 -2.976 -22.135 910 HB3 GLU 42 3HB GLU 42 -15.990 -4.544 -21.441 911 HG2 GLU 42 2HG GLU 42 -15.089 -3.725 -19.230 912 HG3 GLU 42 3HG GLU 42 -14.918 -2.127 -19.955 913 H LYS 43 H LYS 43 -11.827 -4.532 -23.053 914 HA LYS 43 HA LYS 43 -12.731 -5.386 -25.546 915 HB2 LYS 43 2HB LYS 43 -10.427 -6.040 -25.998 916 HB3 LYS 43 3HB LYS 43 -10.428 -4.548 -25.078 917 HG2 LYS 43 2HG LYS 43 -9.918 -7.277 -23.850 918 HG3 LYS 43 3HG LYS 43 -8.648 -6.199 -24.417 919 HD2 LYS 43 2HD LYS 43 -9.372 -4.490 -22.759 920 HD3 LYS 43 3HD LYS 43 -10.626 -5.594 -22.182 921 HE2 LYS 43 2HE LYS 43 -8.629 -5.596 -20.718 922 HE3 LYS 43 3HE LYS 43 -8.921 -7.183 -21.432 923 HZ1 LYS 43 1HZ LYS 43 -6.960 -5.207 -22.484 924 HZ2 LYS 43 2HZ LYS 43 -7.161 -6.804 -23.007 925 HZ3 LYS 43 3HZ LYS 43 -6.559 -6.482 -21.459 926 H ALA 44 H ALA 44 -12.329 -7.193 -22.594 927 HA ALA 44 HA ALA 44 -12.038 -9.808 -23.663 928 HB1 ALA 44 1HB ALA 44 -11.309 -9.220 -21.403 929 HB2 ALA 44 2HB ALA 44 -12.445 -10.570 -21.368 930 HB3 ALA 44 3HB ALA 44 -12.981 -8.948 -20.918 931 H LYS 45 H LYS 45 -14.893 -7.884 -22.750 932 HA LYS 45 HA LYS 45 -16.790 -10.055 -23.105 933 HB2 LYS 45 2HB LYS 45 -18.527 -8.462 -22.674 934 HB3 LYS 45 3HB LYS 45 -17.199 -7.987 -21.623 935 HG2 LYS 45 2HG LYS 45 -16.573 -6.241 -23.294 936 HG3 LYS 45 3HG LYS 45 -17.982 -6.674 -24.248 937 HD2 LYS 45 2HD LYS 45 -18.085 -5.632 -21.388 938 HD3 LYS 45 3HD LYS 45 -18.302 -4.635 -22.826 939 HE2 LYS 45 2HE LYS 45 -20.290 -5.963 -23.450 940 HE3 LYS 45 3HE LYS 45 -20.079 -6.956 -22.001 941 HZ1 LYS 45 1HZ LYS 45 -20.582 -4.017 -22.009 942 HZ2 LYS 45 2HZ LYS 45 -20.412 -4.984 -20.636 943 HZ3 LYS 45 3HZ LYS 45 -21.736 -5.201 -21.669 944 H ASN 46 H ASN 46 -14.926 -8.433 -25.245 945 HA ASN 46 HA ASN 46 -14.898 -7.695 -27.329 946 HB2 ASN 46 2HB ASN 46 -15.505 -9.992 -27.950 947 HB3 ASN 46 3HB ASN 46 -17.213 -9.643 -27.748 948 HD21 ASN 46 1HD2 ASN 46 -14.871 -7.481 -29.357 949 HD22 ASN 46 2HD2 ASN 46 -15.561 -7.650 -30.928 950 H SER 47 H SER 47 -15.371 -5.668 -26.586 951 HA SER 47 HA SER 47 -18.123 -4.642 -26.765 952 HB2 SER 47 2HB SER 47 -17.039 -2.551 -25.801 953 HB3 SER 47 3HB SER 47 -16.919 -3.975 -24.768 954 HG SER 47 HG SER 47 -14.884 -3.311 -24.765 955 H LYS 48 H LYS 48 -18.281 -2.398 -27.768 956 HA LYS 48 HA LYS 48 -17.133 -2.388 -30.456 957 HB2 LYS 48 2HB LYS 48 -19.211 -0.589 -29.137 958 HB3 LYS 48 3HB LYS 48 -18.691 -0.438 -30.813 959 HG2 LYS 48 2HG LYS 48 -19.571 -2.678 -31.321 960 HG3 LYS 48 3HG LYS 48 -20.061 -2.883 -29.633 961 HD2 LYS 48 2HD LYS 48 -21.615 -0.970 -29.840 962 HD3 LYS 48 3HD LYS 48 -21.105 -0.720 -31.510 963 HE2 LYS 48 2HE LYS 48 -22.043 -2.891 -32.143 964 HE3 LYS 48 3HE LYS 48 -22.498 -3.204 -30.464 965 HZ1 LYS 48 1HZ LYS 48 -24.367 -2.393 -31.789 966 HZ2 LYS 48 2HZ LYS 48 -23.532 -0.962 -32.124 967 HZ3 LYS 48 3HZ LYS 48 -23.995 -1.319 -30.539 968 H LYS 49 H LYS 49 -16.423 -0.218 -31.341 969 HA LYS 49 HA LYS 49 -14.227 0.844 -29.889 970 HB2 LYS 49 2HB LYS 49 -14.263 0.740 -32.353 971 HB3 LYS 49 3HB LYS 49 -15.612 1.865 -32.396 972 HG2 LYS 49 2HG LYS 49 -14.035 3.556 -31.227 973 HG3 LYS 49 3HG LYS 49 -12.738 2.424 -31.622 974 HD2 LYS 49 2HD LYS 49 -12.891 4.196 -33.332 975 HD3 LYS 49 3HD LYS 49 -13.289 2.625 -34.034 976 HE2 LYS 49 2HE LYS 49 -15.707 3.163 -33.817 977 HE3 LYS 49 3HE LYS 49 -15.287 4.740 -33.148 978 HZ1 LYS 49 1HZ LYS 49 -15.820 4.855 -35.522 979 HZ2 LYS 49 2HZ LYS 49 -14.546 3.805 -35.882 980 HZ3 LYS 49 3HZ LYS 49 -14.226 5.328 -35.224 981 H ALA 50 H ALA 50 -14.042 2.723 -28.720 982 HA ALA 50 HA ALA 50 -16.490 4.219 -28.026 983 HB1 ALA 50 1HB ALA 50 -13.800 4.089 -26.602 984 HB2 ALA 50 2HB ALA 50 -15.260 3.211 -26.143 985 HB3 ALA 50 3HB ALA 50 -15.226 4.970 -26.044 986 H ILE 51 H ILE 51 -16.044 6.588 -27.505 987 HA ILE 51 HA ILE 51 -15.196 7.916 -29.885 988 HB ILE 51 HB ILE 51 -15.656 10.063 -28.499 989 HG12 ILE 51 2HG1 ILE 51 -17.153 9.633 -26.450 990 HG13 ILE 51 3HG1 ILE 51 -16.549 7.986 -26.438 991 HG21 ILE 51 1HG2 ILE 51 -17.291 9.100 -30.073 992 HG22 ILE 51 2HG2 ILE 51 -18.107 9.761 -28.658 993 HG23 ILE 51 3HG2 ILE 51 -17.896 8.016 -28.814 994 HD11 ILE 51 1HD1 ILE 51 -15.466 9.396 -24.765 995 HD12 ILE 51 2HD1 ILE 51 -14.901 10.489 -26.026 996 HD13 ILE 51 3HD1 ILE 51 -14.288 8.834 -25.953 997 H GLU 52 H GLU 52 -13.297 6.778 -27.431 998 HA GLU 52 HA GLU 52 -11.456 8.944 -27.028 999 HB2 GLU 52 2HB GLU 52 -10.196 7.251 -25.649 1000 HB3 GLU 52 3HB GLU 52 -11.876 7.450 -25.178 1001 HG2 GLU 52 2HG GLU 52 -12.462 5.393 -26.417 1002 HG3 GLU 52 3HG GLU 52 -10.771 5.179 -26.852 1003 H ASP 53 H ASP 53 -10.841 9.349 -29.253 1004 HA ASP 53 HA ASP 53 -8.799 7.571 -30.401 1005 HB2 ASP 53 2HB ASP 53 -10.062 10.140 -31.427 1006 HB3 ASP 53 3HB ASP 53 -8.762 9.309 -32.272 1007 H GLY 54 H GLY 54 -9.206 10.918 -29.410 1008 HA2 GLY 54 2HA GLY 54 -7.773 12.499 -28.598 1009 HA3 GLY 54 3HA GLY 54 -6.679 11.205 -28.137 1010 H VAL 55 H VAL 55 -7.840 11.968 -31.391 1011 HA VAL 55 HA VAL 55 -5.321 11.496 -32.569 1012 HB VAL 55 HB VAL 55 -7.398 11.032 -33.755 1013 HG11 VAL 55 1HG1 VAL 55 -8.821 12.765 -34.737 1014 HG12 VAL 55 2HG1 VAL 55 -7.864 14.020 -33.945 1015 HG13 VAL 55 3HG1 VAL 55 -8.796 12.876 -32.975 1016 HG21 VAL 55 1HG2 VAL 55 -6.831 11.903 -35.992 1017 HG22 VAL 55 2HG2 VAL 55 -5.395 11.357 -35.127 1018 HG23 VAL 55 3HG2 VAL 55 -5.737 13.082 -35.264 1019 HA PRO 56 HA PRO 56 -3.753 15.749 -31.964 1020 HB2 PRO 56 2HB PRO 56 -1.154 15.308 -32.647 1021 HB3 PRO 56 3HB PRO 56 -1.814 14.740 -31.104 1022 HG2 PRO 56 2HG PRO 56 -1.322 13.197 -33.615 1023 HG3 PRO 56 3HG PRO 56 -1.012 12.727 -31.929 1024 HD2 PRO 56 2HD PRO 56 -3.230 11.915 -33.366 1025 HD3 PRO 56 3HD PRO 56 -3.198 12.038 -31.590 1026 H GLN 57 H GLN 57 -3.285 17.454 -33.355 1027 HA GLN 57 HA GLN 57 -3.974 17.127 -36.135 1028 HB2 GLN 57 2HB GLN 57 -3.229 19.577 -34.486 1029 HB3 GLN 57 3HB GLN 57 -3.543 19.663 -36.213 1030 HG2 GLN 57 2HG GLN 57 -5.522 20.364 -35.050 1031 HG3 GLN 57 3HG GLN 57 -5.859 18.792 -35.783 1032 HE21 GLN 57 1HE2 GLN 57 -6.141 16.990 -34.399 1033 HE22 GLN 57 2HE2 GLN 57 -6.429 17.181 -32.711 1034 HA PRO 58 HA PRO 58 0.236 16.420 -37.642 1035 HB2 PRO 58 2HB PRO 58 -0.128 17.323 -40.274 1036 HB3 PRO 58 3HB PRO 58 -0.598 15.717 -39.685 1037 HG2 PRO 58 2HG PRO 58 -2.298 18.166 -40.008 1038 HG3 PRO 58 3HG PRO 58 -2.663 16.479 -40.442 1039 HD2 PRO 58 2HD PRO 58 -3.671 17.546 -38.209 1040 HD3 PRO 58 3HD PRO 58 -3.097 15.864 -38.209 1041 H GLU 59 H GLU 59 -1.038 19.512 -39.061 1042 HA GLU 59 HA GLU 59 1.457 20.875 -38.190 1043 HB2 GLU 59 2HB GLU 59 -0.418 21.694 -40.457 1044 HB3 GLU 59 3HB GLU 59 1.094 22.473 -40.028 1045 HG2 GLU 59 2HG GLU 59 0.786 19.683 -41.161 1046 HG3 GLU 59 3HG GLU 59 1.339 21.108 -42.038 1047 H ALA 60 H ALA 60 -1.943 21.701 -38.966 1048 HA ALA 60 HA ALA 60 -3.516 23.010 -38.022 1049 HB1 ALA 60 1HB ALA 60 -3.287 21.514 -36.101 1050 HB2 ALA 60 2HB ALA 60 -3.655 23.158 -35.578 1051 HB3 ALA 60 3HB ALA 60 -2.010 22.537 -35.444 1052 H LEU 61 H LEU 61 -1.018 24.215 -39.053 1053 HA LEU 61 HA LEU 61 -1.346 26.930 -37.982 1054 HB2 LEU 61 2HB LEU 61 0.560 25.935 -36.709 1055 HB3 LEU 61 3HB LEU 61 1.376 25.543 -38.215 1056 HG LEU 61 HG LEU 61 1.551 27.995 -38.730 1057 HD11 LEU 61 1HD1 LEU 61 0.404 28.404 -35.963 1058 HD12 LEU 61 2HD1 LEU 61 -0.366 28.831 -37.493 1059 HD13 LEU 61 3HD1 LEU 61 1.107 29.655 -36.989 1060 HD21 LEU 61 1HD2 LEU 61 2.761 27.184 -36.075 1061 HD22 LEU 61 2HD2 LEU 61 3.317 28.499 -37.113 1062 HD23 LEU 61 3HD2 LEU 61 3.419 26.833 -37.676 1063 H GLU 62 H GLU 62 -1.223 28.441 -39.537 1064 HA GLU 62 HA GLU 62 -0.521 27.643 -42.301 1065 HB2 GLU 62 2HB GLU 62 -2.196 29.983 -41.277 1066 HB3 GLU 62 3HB GLU 62 -1.872 29.626 -42.968 1067 HG2 GLU 62 2HG GLU 62 -3.118 27.500 -42.784 1068 HG3 GLU 62 3HG GLU 62 -3.407 27.813 -41.076 Start of MODEL 14 1 H1 MET 1 1H MET 1 8.624 -16.868 -16.981 2 H2 MET 1 2H MET 1 10.048 -17.388 -16.230 3 H3 MET 1 3H MET 1 8.955 -18.519 -16.843 4 HA MET 1 HA MET 1 10.467 -16.549 -18.441 5 HB2 MET 1 2HB MET 1 11.818 -18.432 -19.271 6 HB3 MET 1 3HB MET 1 11.923 -18.348 -17.522 7 HG2 MET 1 2HG MET 1 10.211 -20.193 -17.403 8 HG3 MET 1 3HG MET 1 10.335 -20.344 -19.154 9 HE1 MET 1 1HE MET 1 11.983 -20.994 -15.696 10 HE2 MET 1 2HE MET 1 13.066 -19.739 -16.306 11 HE3 MET 1 3HE MET 1 13.650 -21.393 -16.121 12 H GLU 2 H GLU 2 8.202 -19.276 -18.426 13 HA GLU 2 HA GLU 2 7.177 -18.511 -21.097 14 HB2 GLU 2 2HB GLU 2 7.921 -20.895 -20.849 15 HB3 GLU 2 3HB GLU 2 6.804 -21.101 -19.502 16 HG2 GLU 2 2HG GLU 2 4.897 -20.618 -21.061 17 HG3 GLU 2 3HG GLU 2 6.051 -20.535 -22.395 18 H GLU 3 H GLU 3 5.325 -17.296 -20.994 19 HA GLU 3 HA GLU 3 3.256 -17.851 -19.039 20 HB2 GLU 3 2HB GLU 3 4.956 -16.421 -17.819 21 HB3 GLU 3 3HB GLU 3 4.614 -15.126 -18.965 22 HG2 GLU 3 2HG GLU 3 2.269 -15.048 -18.213 23 HG3 GLU 3 3HG GLU 3 2.569 -16.404 -17.118 24 H LEU 4 H LEU 4 1.469 -17.712 -20.153 25 HA LEU 4 HA LEU 4 1.053 -15.655 -22.251 26 HB2 LEU 4 2HB LEU 4 -0.440 -18.282 -21.793 27 HB3 LEU 4 3HB LEU 4 -0.714 -17.160 -23.118 28 HG LEU 4 HG LEU 4 1.797 -18.834 -22.684 29 HD11 LEU 4 1HD1 LEU 4 1.118 -20.036 -24.706 30 HD12 LEU 4 2HD1 LEU 4 -0.368 -19.082 -24.788 31 HD13 LEU 4 3HD1 LEU 4 -0.088 -20.175 -23.429 32 HD21 LEU 4 1HD2 LEU 4 1.171 -16.890 -24.933 33 HD22 LEU 4 2HD2 LEU 4 2.549 -17.994 -24.878 34 HD23 LEU 4 3HD2 LEU 4 2.414 -16.703 -23.689 35 H SER 5 H SER 5 -0.812 -14.392 -22.125 36 HA SER 5 HA SER 5 -2.711 -14.741 -19.906 37 HB2 SER 5 2HB SER 5 -1.217 -12.119 -20.402 38 HB3 SER 5 3HB SER 5 -2.528 -12.354 -19.242 39 HG SER 5 HG SER 5 -0.866 -14.206 -18.621 40 H GLY 6 H GLY 6 -3.910 -15.502 -21.772 41 HA2 GLY 6 2HA GLY 6 -4.760 -13.637 -23.831 42 HA3 GLY 6 3HA GLY 6 -5.336 -15.278 -23.579 43 H LYS 7 H LYS 7 -5.949 -14.805 -20.775 44 HA LYS 7 HA LYS 7 -8.525 -13.383 -21.030 45 HB2 LYS 7 2HB LYS 7 -7.595 -15.488 -18.999 46 HB3 LYS 7 3HB LYS 7 -9.152 -14.674 -18.951 47 HG2 LYS 7 2HG LYS 7 -9.583 -16.806 -19.901 48 HG3 LYS 7 3HG LYS 7 -9.637 -15.660 -21.241 49 HD2 LYS 7 2HD LYS 7 -7.240 -16.325 -21.783 50 HD3 LYS 7 3HD LYS 7 -7.376 -17.582 -20.553 51 HE2 LYS 7 2HE LYS 7 -9.096 -17.364 -23.051 52 HE3 LYS 7 3HE LYS 7 -7.750 -18.480 -22.822 53 HZ1 LYS 7 1HZ LYS 7 -10.288 -18.451 -21.275 54 HZ2 LYS 7 2HZ LYS 7 -8.981 -19.479 -20.968 55 HZ3 LYS 7 3HZ LYS 7 -9.823 -19.597 -22.425 56 HA PRO 8 HA PRO 8 -6.950 -10.393 -17.969 57 HB2 PRO 8 2HB PRO 8 -9.253 -9.388 -16.924 58 HB3 PRO 8 3HB PRO 8 -8.825 -9.091 -18.623 59 HG2 PRO 8 2HG PRO 8 -10.736 -11.122 -17.496 60 HG3 PRO 8 3HG PRO 8 -10.946 -10.046 -18.895 61 HD2 PRO 8 2HD PRO 8 -10.182 -12.680 -19.134 62 HD3 PRO 8 3HD PRO 8 -9.736 -11.424 -20.310 63 H LEU 9 H LEU 9 -7.828 -9.825 -15.451 64 HA LEU 9 HA LEU 9 -7.233 -12.136 -13.879 65 HB2 LEU 9 2HB LEU 9 -7.856 -10.606 -11.915 66 HB3 LEU 9 3HB LEU 9 -6.513 -10.120 -12.922 67 HG LEU 9 HG LEU 9 -8.178 -8.519 -14.113 68 HD11 LEU 9 1HD1 LEU 9 -10.094 -7.732 -12.780 69 HD12 LEU 9 2HD1 LEU 9 -9.827 -9.050 -11.631 70 HD13 LEU 9 3HD1 LEU 9 -10.284 -9.405 -13.296 71 HD21 LEU 9 1HD2 LEU 9 -7.838 -6.756 -12.457 72 HD22 LEU 9 2HD2 LEU 9 -6.386 -7.737 -12.649 73 HD23 LEU 9 3HD2 LEU 9 -7.422 -7.964 -11.237 74 H SER 10 H SER 10 -8.595 -13.312 -12.527 75 HA SER 10 HA SER 10 -11.330 -13.682 -13.425 76 HB2 SER 10 2HB SER 10 -9.775 -15.091 -11.196 77 HB3 SER 10 3HB SER 10 -11.305 -15.625 -11.903 78 HG SER 10 HG SER 10 -8.722 -15.629 -13.019 79 H TYR 11 H TYR 11 -12.997 -14.085 -11.565 80 HA TYR 11 HA TYR 11 -13.644 -11.647 -10.360 81 HB2 TYR 11 2HB TYR 11 -15.335 -13.393 -10.870 82 HB3 TYR 11 3HB TYR 11 -14.632 -14.454 -9.659 83 HD1 TYR 11 HD1 TYR 11 -16.583 -11.309 -10.139 84 HD2 TYR 11 HD2 TYR 11 -15.171 -14.172 -7.285 85 HE1 TYR 11 HE1 TYR 11 -18.026 -10.313 -8.417 86 HE2 TYR 11 HE2 TYR 11 -16.606 -13.166 -5.569 87 HH TYR 11 HH TYR 11 -19.020 -10.839 -6.282 88 H ALA 12 H ALA 12 -12.401 -14.642 -8.825 89 HA ALA 12 HA ALA 12 -12.160 -13.653 -6.202 90 HB1 ALA 12 1HB ALA 12 -10.762 -15.630 -5.775 91 HB2 ALA 12 2HB ALA 12 -10.605 -15.906 -7.512 92 HB3 ALA 12 3HB ALA 12 -12.182 -16.053 -6.736 93 H GLU 13 H GLU 13 -9.996 -13.423 -8.976 94 HA GLU 13 HA GLU 13 -7.662 -12.565 -7.559 95 HB2 GLU 13 2HB GLU 13 -8.390 -12.216 -10.496 96 HB3 GLU 13 3HB GLU 13 -6.798 -11.891 -9.802 97 HG2 GLU 13 2HG GLU 13 -6.737 -14.317 -9.067 98 HG3 GLU 13 3HG GLU 13 -8.204 -14.566 -10.017 99 H LYS 14 H LYS 14 -10.341 -10.918 -9.196 100 HA LYS 14 HA LYS 14 -9.495 -8.246 -8.819 101 HB2 LYS 14 2HB LYS 14 -11.223 -8.833 -10.436 102 HB3 LYS 14 3HB LYS 14 -12.275 -9.440 -9.173 103 HG2 LYS 14 2HG LYS 14 -11.446 -6.551 -9.035 104 HG3 LYS 14 3HG LYS 14 -12.606 -7.008 -10.279 105 HD2 LYS 14 2HD LYS 14 -12.982 -7.537 -7.287 106 HD3 LYS 14 3HD LYS 14 -13.674 -6.161 -8.159 107 HE2 LYS 14 2HE LYS 14 -14.896 -7.787 -9.632 108 HE3 LYS 14 3HE LYS 14 -14.285 -9.101 -8.625 109 HZ1 LYS 14 1HZ LYS 14 -15.389 -7.991 -6.728 110 HZ2 LYS 14 2HZ LYS 14 -16.458 -8.546 -7.899 111 HZ3 LYS 14 3HZ LYS 14 -16.101 -6.903 -7.813 112 H GLU 15 H GLU 15 -11.314 -10.494 -6.817 113 HA GLU 15 HA GLU 15 -12.237 -8.697 -4.835 114 HB2 GLU 15 2HB GLU 15 -11.747 -11.699 -4.760 115 HB3 GLU 15 3HB GLU 15 -12.568 -10.819 -3.476 116 HG2 GLU 15 2HG GLU 15 -13.534 -10.843 -6.337 117 HG3 GLU 15 3HG GLU 15 -14.035 -12.038 -5.141 118 H LYS 16 H LYS 16 -9.527 -11.026 -4.792 119 HA LYS 16 HA LYS 16 -8.424 -10.200 -2.332 120 HB2 LYS 16 2HB LYS 16 -6.421 -11.431 -2.898 121 HB3 LYS 16 3HB LYS 16 -7.822 -12.352 -3.423 122 HG2 LYS 16 2HG LYS 16 -7.441 -11.609 -5.748 123 HG3 LYS 16 3HG LYS 16 -6.036 -10.687 -5.230 124 HD2 LYS 16 2HD LYS 16 -5.264 -12.729 -6.240 125 HD3 LYS 16 3HD LYS 16 -4.960 -12.846 -4.508 126 HE2 LYS 16 2HE LYS 16 -7.421 -14.066 -5.801 127 HE3 LYS 16 3HE LYS 16 -5.890 -14.930 -5.701 128 HZ1 LYS 16 1HZ LYS 16 -7.269 -15.555 -3.880 129 HZ2 LYS 16 2HZ LYS 16 -7.514 -13.949 -3.421 130 HZ3 LYS 16 3HZ LYS 16 -5.982 -14.645 -3.274 131 H LEU 17 H LEU 17 -8.117 -8.892 -5.565 132 HA LEU 17 HA LEU 17 -5.816 -7.288 -5.063 133 HB2 LEU 17 2HB LEU 17 -6.857 -8.173 -7.334 134 HB3 LEU 17 3HB LEU 17 -7.781 -6.689 -7.291 135 HG LEU 17 HG LEU 17 -5.625 -6.697 -8.694 136 HD11 LEU 17 1HD1 LEU 17 -5.834 -4.525 -6.606 137 HD12 LEU 17 2HD1 LEU 17 -6.737 -4.600 -8.122 138 HD13 LEU 17 3HD1 LEU 17 -4.983 -4.421 -8.154 139 HD21 LEU 17 1HD2 LEU 17 -4.225 -7.927 -7.072 140 HD22 LEU 17 2HD2 LEU 17 -4.287 -6.546 -5.966 141 HD23 LEU 17 3HD2 LEU 17 -3.502 -6.394 -7.541 142 H LYS 18 H LYS 18 -9.348 -6.531 -5.129 143 HA LYS 18 HA LYS 18 -8.930 -3.725 -4.695 144 HB2 LYS 18 2HB LYS 18 -11.412 -3.606 -4.293 145 HB3 LYS 18 3HB LYS 18 -10.957 -4.352 -5.811 146 HG2 LYS 18 2HG LYS 18 -12.690 -5.729 -5.124 147 HG3 LYS 18 3HG LYS 18 -11.285 -6.614 -4.535 148 HD2 LYS 18 2HD LYS 18 -11.677 -5.628 -2.250 149 HD3 LYS 18 3HD LYS 18 -13.130 -4.839 -2.869 150 HE2 LYS 18 2HE LYS 18 -14.118 -7.043 -3.367 151 HE3 LYS 18 3HE LYS 18 -12.657 -7.841 -2.781 152 HZ1 LYS 18 1HZ LYS 18 -14.403 -7.829 -1.114 153 HZ2 LYS 18 2HZ LYS 18 -14.467 -6.141 -1.153 154 HZ3 LYS 18 3HZ LYS 18 -13.076 -6.918 -0.591 155 H GLU 19 H GLU 19 -9.494 -6.484 -2.519 156 HA GLU 19 HA GLU 19 -9.698 -4.866 -0.144 157 HB2 GLU 19 2HB GLU 19 -9.654 -6.922 1.117 158 HB3 GLU 19 3HB GLU 19 -10.673 -7.160 -0.297 159 HG2 GLU 19 2HG GLU 19 -8.795 -8.315 -1.432 160 HG3 GLU 19 3HG GLU 19 -7.824 -8.142 0.028 161 H LYS 20 H LYS 20 -7.043 -6.396 -1.947 162 HA LYS 20 HA LYS 20 -4.920 -5.921 -0.181 163 HB2 LYS 20 2HB LYS 20 -4.170 -7.169 -1.985 164 HB3 LYS 20 3HB LYS 20 -5.158 -6.294 -3.143 165 HG2 LYS 20 2HG LYS 20 -3.577 -4.502 -3.313 166 HG3 LYS 20 3HG LYS 20 -2.683 -5.059 -1.896 167 HD2 LYS 20 2HD LYS 20 -2.868 -6.598 -4.513 168 HD3 LYS 20 3HD LYS 20 -1.541 -5.514 -4.086 169 HE2 LYS 20 2HE LYS 20 -1.183 -6.969 -2.011 170 HE3 LYS 20 3HE LYS 20 -2.314 -8.118 -2.731 171 HZ1 LYS 20 1HZ LYS 20 0.245 -7.199 -3.938 172 HZ2 LYS 20 2HZ LYS 20 -0.846 -8.283 -4.648 173 HZ3 LYS 20 3HZ LYS 20 -0.042 -8.712 -3.225 174 H LEU 21 H LEU 21 -6.349 -3.804 -2.683 175 HA LEU 21 HA LEU 21 -4.526 -1.673 -2.460 176 HB2 LEU 21 2HB LEU 21 -7.423 -1.541 -3.384 177 HB3 LEU 21 3HB LEU 21 -6.196 -0.320 -3.691 178 HG LEU 21 HG LEU 21 -6.265 -3.137 -4.817 179 HD11 LEU 21 1HD1 LEU 21 -6.584 -0.477 -6.210 180 HD12 LEU 21 2HD1 LEU 21 -7.861 -1.649 -5.869 181 HD13 LEU 21 3HD1 LEU 21 -6.560 -2.070 -6.979 182 HD21 LEU 21 1HD2 LEU 21 -4.270 -2.572 -6.113 183 HD22 LEU 21 2HD2 LEU 21 -3.941 -2.526 -4.384 184 HD23 LEU 21 3HD2 LEU 21 -4.148 -1.019 -5.280 185 H ALA 22 H ALA 22 -7.699 -2.207 -0.931 186 HA ALA 22 HA ALA 22 -7.821 0.274 0.496 187 HB1 ALA 22 1HB ALA 22 -9.715 -0.766 1.695 188 HB2 ALA 22 2HB ALA 22 -9.295 -2.341 1.016 189 HB3 ALA 22 3HB ALA 22 -9.839 -1.041 -0.047 190 H PHE 23 H PHE 23 -6.571 -2.957 1.301 191 HA PHE 23 HA PHE 23 -6.196 -2.557 4.089 192 HB2 PHE 23 2HB PHE 23 -6.276 -4.824 3.190 193 HB3 PHE 23 3HB PHE 23 -4.895 -4.519 2.149 194 HD1 PHE 23 HD1 PHE 23 -5.820 -4.548 5.798 195 HD2 PHE 23 HD2 PHE 23 -2.767 -5.270 2.875 196 HE1 PHE 23 HE1 PHE 23 -4.332 -5.418 7.549 197 HE2 PHE 23 HE2 PHE 23 -1.293 -6.129 4.636 198 HZ PHE 23 HZ PHE 23 -2.071 -6.206 6.976 199 H LEU 24 H LEU 24 -3.865 -2.464 1.373 200 HA LEU 24 HA LEU 24 -1.680 -1.644 2.954 201 HB2 LEU 24 2HB LEU 24 -0.442 -1.302 0.883 202 HB3 LEU 24 3HB LEU 24 -1.296 -2.825 0.878 203 HG LEU 24 HG LEU 24 -3.060 -1.615 -0.631 204 HD11 LEU 24 1HD1 LEU 24 -2.328 0.687 -0.326 205 HD12 LEU 24 2HD1 LEU 24 -2.228 0.222 -2.019 206 HD13 LEU 24 3HD1 LEU 24 -0.760 0.311 -1.044 207 HD21 LEU 24 1HD2 LEU 24 -0.299 -2.200 -1.748 208 HD22 LEU 24 2HD2 LEU 24 -1.801 -2.120 -2.676 209 HD23 LEU 24 3HD2 LEU 24 -1.587 -3.378 -1.462 210 H LYS 25 H LYS 25 -4.184 0.144 1.259 211 HA LYS 25 HA LYS 25 -3.000 2.725 1.372 212 HB2 LYS 25 2HB LYS 25 -4.782 2.336 -0.172 213 HB3 LYS 25 3HB LYS 25 -5.875 1.800 1.096 214 HG2 LYS 25 2HG LYS 25 -6.050 4.064 1.973 215 HG3 LYS 25 3HG LYS 25 -4.827 4.643 0.840 216 HD2 LYS 25 2HD LYS 25 -7.561 3.535 0.085 217 HD3 LYS 25 3HD LYS 25 -7.124 5.245 0.122 218 HE2 LYS 25 2HE LYS 25 -5.426 4.837 -1.642 219 HE3 LYS 25 3HE LYS 25 -5.893 3.134 -1.685 220 HZ1 LYS 25 1HZ LYS 25 -7.659 5.428 -2.341 221 HZ2 LYS 25 2HZ LYS 25 -8.102 3.797 -2.366 222 HZ3 LYS 25 3HZ LYS 25 -6.939 4.369 -3.448 223 H LYS 26 H LYS 26 -5.378 1.115 3.554 224 HA LYS 26 HA LYS 26 -5.756 3.380 5.214 225 HB2 LYS 26 2HB LYS 26 -6.916 1.907 6.786 226 HB3 LYS 26 3HB LYS 26 -7.414 1.544 5.139 227 HG2 LYS 26 2HG LYS 26 -6.014 -0.454 5.106 228 HG3 LYS 26 3HG LYS 26 -5.371 -0.066 6.703 229 HD2 LYS 26 2HD LYS 26 -7.668 -0.349 7.657 230 HD3 LYS 26 3HD LYS 26 -8.252 -0.816 6.055 231 HE2 LYS 26 2HE LYS 26 -6.739 -2.756 6.063 232 HE3 LYS 26 3HE LYS 26 -6.112 -2.276 7.641 233 HZ1 LYS 26 1HZ LYS 26 -8.901 -3.088 7.048 234 HZ2 LYS 26 2HZ LYS 26 -8.334 -2.573 8.550 235 HZ3 LYS 26 3HZ LYS 26 -7.745 -4.006 7.873 236 H GLU 27 H GLU 27 -3.607 0.514 5.500 237 HA GLU 27 HA GLU 27 -2.509 1.240 8.030 238 HB2 GLU 27 2HB GLU 27 -0.842 -0.471 7.685 239 HB3 GLU 27 3HB GLU 27 -2.378 -1.096 7.097 240 HG2 GLU 27 2HG GLU 27 -1.720 -0.782 4.803 241 HG3 GLU 27 3HG GLU 27 -0.268 0.098 5.269 242 H TYR 28 H TYR 28 -1.599 1.902 4.642 243 HA TYR 28 HA TYR 28 0.901 3.086 4.909 244 HB2 TYR 28 2HB TYR 28 0.080 2.659 2.696 245 HB3 TYR 28 3HB TYR 28 -1.387 3.578 2.967 246 HD1 TYR 28 HD1 TYR 28 2.244 3.846 2.211 247 HD2 TYR 28 HD2 TYR 28 -1.437 5.991 2.581 248 HE1 TYR 28 HE1 TYR 28 3.262 5.790 1.115 249 HE2 TYR 28 HE2 TYR 28 -0.418 7.920 1.488 250 HH TYR 28 HH TYR 28 1.774 8.873 1.107 251 H SER 29 H SER 29 -2.304 4.626 5.033 252 HA SER 29 HA SER 29 -1.330 7.267 5.352 253 HB2 SER 29 2HB SER 29 -3.559 6.694 4.374 254 HB3 SER 29 3HB SER 29 -4.116 6.191 5.975 255 HG SER 29 HG SER 29 -3.094 8.588 6.276 256 H ARG 30 H ARG 30 -2.459 4.794 7.671 257 HA ARG 30 HA ARG 30 -2.448 6.502 9.975 258 HB2 ARG 30 2HB ARG 30 -2.408 3.468 9.761 259 HB3 ARG 30 3HB ARG 30 -2.636 4.358 11.265 260 HG2 ARG 30 2HG ARG 30 -4.708 5.381 10.296 261 HG3 ARG 30 3HG ARG 30 -4.500 4.364 8.867 262 HD2 ARG 30 2HD ARG 30 -6.126 3.385 10.444 263 HD3 ARG 30 3HD ARG 30 -4.702 2.349 10.268 264 HE ARG 30 HE ARG 30 -4.400 4.167 12.440 265 HH11 ARG 30 1HH1 ARG 30 -5.994 1.130 11.639 266 HH12 ARG 30 2HH1 ARG 30 -6.040 0.594 13.286 267 HH21 ARG 30 1HH2 ARG 30 -4.437 3.446 14.548 268 HH22 ARG 30 2HH2 ARG 30 -5.151 1.916 14.938 269 H THR 31 H THR 31 -0.141 4.126 8.686 270 HA THR 31 HA THR 31 1.644 4.370 10.920 271 HB THR 31 HB THR 31 1.324 2.225 9.566 272 HG1 THR 31 HG1 THR 31 3.138 1.666 10.469 273 HG21 THR 31 1HG2 THR 31 2.791 1.869 7.624 274 HG22 THR 31 2HG2 THR 31 3.308 3.553 7.672 275 HG23 THR 31 3HG2 THR 31 1.637 3.156 7.275 276 H LEU 32 H LEU 32 1.406 5.790 7.720 277 HA LEU 32 HA LEU 32 3.909 7.154 7.725 278 HB2 LEU 32 2HB LEU 32 2.570 6.808 5.678 279 HB3 LEU 32 3HB LEU 32 1.310 7.849 6.297 280 HG LEU 32 HG LEU 32 4.074 9.039 5.907 281 HD11 LEU 32 1HD1 LEU 32 2.129 8.614 3.617 282 HD12 LEU 32 2HD1 LEU 32 3.689 7.814 3.809 283 HD13 LEU 32 3HD1 LEU 32 3.622 9.556 3.555 284 HD21 LEU 32 1HD2 LEU 32 2.808 11.085 5.348 285 HD22 LEU 32 2HD2 LEU 32 2.324 10.451 6.919 286 HD23 LEU 32 3HD2 LEU 32 1.288 10.199 5.515 287 H ALA 33 H ALA 33 0.633 7.930 8.885 288 HA ALA 33 HA ALA 33 0.958 10.585 9.677 289 HB1 ALA 33 1HB ALA 33 -1.216 9.421 9.605 290 HB2 ALA 33 2HB ALA 33 -0.972 10.201 11.167 291 HB3 ALA 33 3HB ALA 33 -0.756 8.451 11.010 292 H ARG 34 H ARG 34 1.477 7.625 11.595 293 HA ARG 34 HA ARG 34 2.384 8.964 13.957 294 HB2 ARG 34 2HB ARG 34 2.770 6.780 14.890 295 HB3 ARG 34 3HB ARG 34 1.282 6.704 13.952 296 HG2 ARG 34 2HG ARG 34 2.674 5.706 12.055 297 HG3 ARG 34 3HG ARG 34 4.000 5.572 13.212 298 HD2 ARG 34 2HD ARG 34 1.282 4.258 13.428 299 HD3 ARG 34 3HD ARG 34 2.797 3.460 13.000 300 HE ARG 34 HE ARG 34 3.102 4.717 15.508 301 HH11 ARG 34 1HH1 ARG 34 1.490 1.950 14.065 302 HH12 ARG 34 2HH1 ARG 34 1.493 1.034 15.533 303 HH21 ARG 34 1HH2 ARG 34 3.096 3.502 17.430 304 HH22 ARG 34 2HH2 ARG 34 2.402 1.910 17.446 305 H LEU 35 H LEU 35 3.996 7.527 11.146 306 HA LEU 35 HA LEU 35 6.687 7.658 11.937 307 HB2 LEU 35 2HB LEU 35 6.053 6.539 9.866 308 HB3 LEU 35 3HB LEU 35 5.379 8.019 9.213 309 HG LEU 35 HG LEU 35 7.701 8.991 9.082 310 HD11 LEU 35 1HD1 LEU 35 8.642 6.227 9.870 311 HD12 LEU 35 2HD1 LEU 35 8.795 7.699 10.833 312 HD13 LEU 35 3HD1 LEU 35 9.660 7.556 9.306 313 HD21 LEU 35 1HD2 LEU 35 6.692 7.957 7.106 314 HD22 LEU 35 2HD2 LEU 35 7.359 6.388 7.569 315 HD23 LEU 35 3HD2 LEU 35 8.436 7.718 7.135 316 H GLN 36 H GLN 36 4.539 10.098 10.484 317 HA GLN 36 HA GLN 36 6.442 12.183 10.264 318 HB2 GLN 36 2HB GLN 36 3.405 12.344 10.411 319 HB3 GLN 36 3HB GLN 36 4.460 13.687 9.989 320 HG2 GLN 36 2HG GLN 36 4.076 11.135 8.408 321 HG3 GLN 36 3HG GLN 36 3.479 12.734 7.984 322 HE21 GLN 36 1HE2 GLN 36 5.254 10.882 6.520 323 HE22 GLN 36 2HE2 GLN 36 6.680 11.790 6.167 324 H ARG 37 H ARG 37 3.947 11.457 12.734 325 HA ARG 37 HA ARG 37 4.415 13.672 14.408 326 HB2 ARG 37 2HB ARG 37 3.274 10.922 15.019 327 HB3 ARG 37 3HB ARG 37 3.335 12.206 16.223 328 HG2 ARG 37 2HG ARG 37 1.843 12.322 13.582 329 HG3 ARG 37 3HG ARG 37 1.116 12.068 15.172 330 HD2 ARG 37 2HD ARG 37 1.918 14.327 15.879 331 HD3 ARG 37 3HD ARG 37 2.610 14.568 14.269 332 HE ARG 37 HE ARG 37 -0.128 13.946 14.027 333 HH11 ARG 37 1HH1 ARG 37 1.927 16.604 15.070 334 HH12 ARG 37 2HH1 ARG 37 0.741 17.812 14.704 335 HH21 ARG 37 1HH2 ARG 37 -1.662 15.544 13.571 336 HH22 ARG 37 2HH2 ARG 37 -1.291 17.214 13.853 337 H ALA 38 H ALA 38 6.082 10.593 14.189 338 HA ALA 38 HA ALA 38 7.665 10.836 16.555 339 HB1 ALA 38 1HB ALA 38 7.262 8.667 15.457 340 HB2 ALA 38 2HB ALA 38 8.988 8.988 15.606 341 HB3 ALA 38 3HB ALA 38 8.187 9.194 14.046 342 H LYS 39 H LYS 39 8.347 11.436 13.085 343 HA LYS 39 HA LYS 39 11.061 12.278 13.582 344 HB2 LYS 39 2HB LYS 39 11.280 12.462 11.186 345 HB3 LYS 39 3HB LYS 39 10.406 10.982 11.564 346 HG2 LYS 39 2HG LYS 39 8.271 12.099 10.971 347 HG3 LYS 39 3HG LYS 39 9.154 13.574 10.569 348 HD2 LYS 39 2HD LYS 39 9.450 10.879 9.173 349 HD3 LYS 39 3HD LYS 39 8.584 12.281 8.542 350 HE2 LYS 39 2HE LYS 39 10.733 13.564 8.548 351 HE3 LYS 39 3HE LYS 39 11.573 12.103 9.076 352 HZ1 LYS 39 1HZ LYS 39 10.059 12.411 6.538 353 HZ2 LYS 39 2HZ LYS 39 10.853 11.009 7.044 354 HZ3 LYS 39 3HZ LYS 39 11.744 12.402 6.691 355 H ARG 40 H ARG 40 8.046 13.991 13.293 356 HA ARG 40 HA ARG 40 9.261 16.549 12.626 357 HB2 ARG 40 2HB ARG 40 6.393 15.885 13.395 358 HB3 ARG 40 3HB ARG 40 6.955 17.485 12.928 359 HG2 ARG 40 2HG ARG 40 6.923 15.025 11.149 360 HG3 ARG 40 3HG ARG 40 5.765 16.351 11.099 361 HD2 ARG 40 2HD ARG 40 7.229 16.743 9.301 362 HD3 ARG 40 3HD ARG 40 7.771 17.865 10.552 363 HE ARG 40 HE ARG 40 9.310 15.583 10.866 364 HH11 ARG 40 1HH1 ARG 40 8.789 17.893 8.254 365 HH12 ARG 40 2HH1 ARG 40 10.374 17.666 7.596 366 HH21 ARG 40 1HH2 ARG 40 11.389 15.353 10.003 367 HH22 ARG 40 2HH2 ARG 40 11.833 16.236 8.584 368 H ALA 41 H ALA 41 7.605 15.116 15.443 369 HA ALA 41 HA ALA 41 8.015 17.373 17.156 370 HB1 ALA 41 1HB ALA 41 7.127 15.900 18.934 371 HB2 ALA 41 2HB ALA 41 7.229 14.521 17.835 372 HB3 ALA 41 3HB ALA 41 6.119 15.846 17.483 373 H GLU 42 H GLU 42 9.368 14.054 17.144 374 HA GLU 42 HA GLU 42 11.186 13.077 18.057 375 HB2 GLU 42 2HB GLU 42 12.448 15.698 17.159 376 HB3 GLU 42 3HB GLU 42 13.373 14.284 17.657 377 HG2 GLU 42 2HG GLU 42 12.257 12.976 15.840 378 HG3 GLU 42 3HG GLU 42 11.492 14.465 15.294 379 H LYS 43 H LYS 43 9.581 14.794 19.933 380 HA LYS 43 HA LYS 43 11.127 16.047 21.893 381 HB2 LYS 43 2HB LYS 43 9.219 15.862 23.373 382 HB3 LYS 43 3HB LYS 43 8.608 16.139 21.752 383 HG2 LYS 43 2HG LYS 43 8.658 13.430 23.138 384 HG3 LYS 43 3HG LYS 43 7.257 14.497 23.073 385 HD2 LYS 43 2HD LYS 43 7.195 14.277 20.609 386 HD3 LYS 43 3HD LYS 43 8.623 13.238 20.654 387 HE2 LYS 43 2HE LYS 43 6.654 11.848 20.408 388 HE3 LYS 43 3HE LYS 43 7.314 11.595 22.023 389 HZ1 LYS 43 1HZ LYS 43 5.608 12.989 22.939 390 HZ2 LYS 43 2HZ LYS 43 4.871 11.818 21.971 391 HZ3 LYS 43 3HZ LYS 43 5.033 13.402 21.406 392 H ALA 44 H ALA 44 10.695 12.678 21.217 393 HA ALA 44 HA ALA 44 11.116 11.599 23.824 394 HB1 ALA 44 1HB ALA 44 11.098 10.243 21.124 395 HB2 ALA 44 2HB ALA 44 9.689 10.519 22.151 396 HB3 ALA 44 3HB ALA 44 10.976 9.433 22.686 397 H LYS 45 H LYS 45 13.352 12.733 21.481 398 HA LYS 45 HA LYS 45 15.565 11.022 22.330 399 HB2 LYS 45 2HB LYS 45 16.959 12.287 20.821 400 HB3 LYS 45 3HB LYS 45 15.440 11.965 19.993 401 HG2 LYS 45 2HG LYS 45 14.680 14.267 20.462 402 HG3 LYS 45 3HG LYS 45 16.177 14.601 21.331 403 HD2 LYS 45 2HD LYS 45 16.173 15.524 19.018 404 HD3 LYS 45 3HD LYS 45 17.479 14.369 19.282 405 HE2 LYS 45 2HE LYS 45 16.281 12.654 18.048 406 HE3 LYS 45 3HE LYS 45 14.841 13.668 17.953 407 HZ1 LYS 45 1HZ LYS 45 16.076 13.668 15.886 408 HZ2 LYS 45 2HZ LYS 45 17.450 14.267 16.674 409 HZ3 LYS 45 3HZ LYS 45 16.057 15.216 16.569 410 H ASN 46 H ASN 46 13.945 13.144 24.042 411 HA ASN 46 HA ASN 46 14.200 14.549 25.736 412 HB2 ASN 46 2HB ASN 46 15.776 12.828 26.653 413 HB3 ASN 46 3HB ASN 46 17.114 13.617 25.826 414 HD21 ASN 46 1HD2 ASN 46 14.845 13.854 28.468 415 HD22 ASN 46 2HD2 ASN 46 15.651 15.127 29.313 416 H SER 47 H SER 47 13.805 15.958 23.859 417 HA SER 47 HA SER 47 15.867 17.639 22.797 418 HB2 SER 47 2HB SER 47 13.804 17.256 21.530 419 HB3 SER 47 3HB SER 47 12.829 17.941 22.829 420 HG SER 47 HG SER 47 13.919 19.948 22.445 421 H LYS 48 H LYS 48 16.091 19.932 23.193 422 HA LYS 48 HA LYS 48 16.279 20.861 25.811 423 HB2 LYS 48 2HB LYS 48 17.455 21.876 23.880 424 HB3 LYS 48 3HB LYS 48 15.926 22.445 23.223 425 HG2 LYS 48 2HG LYS 48 15.667 23.911 25.254 426 HG3 LYS 48 3HG LYS 48 17.279 23.405 25.776 427 HD2 LYS 48 2HD LYS 48 18.256 24.365 23.717 428 HD3 LYS 48 3HD LYS 48 16.649 24.834 23.155 429 HE2 LYS 48 2HE LYS 48 17.805 26.773 24.089 430 HE3 LYS 48 3HE LYS 48 16.437 26.346 25.120 431 HZ1 LYS 48 1HZ LYS 48 17.975 25.217 26.614 432 HZ2 LYS 48 2HZ LYS 48 18.397 26.842 26.423 433 HZ3 LYS 48 3HZ LYS 48 19.275 25.645 25.624 434 H LYS 49 H LYS 49 14.963 22.375 27.039 435 HA LYS 49 HA LYS 49 12.188 21.961 27.028 436 HB2 LYS 49 2HB LYS 49 13.863 24.137 28.322 437 HB3 LYS 49 3HB LYS 49 12.127 23.975 28.590 438 HG2 LYS 49 2HG LYS 49 12.477 21.715 29.530 439 HG3 LYS 49 3HG LYS 49 14.217 21.876 29.266 440 HD2 LYS 49 2HD LYS 49 13.637 22.352 31.609 441 HD3 LYS 49 3HD LYS 49 14.283 23.790 30.819 442 HE2 LYS 49 2HE LYS 49 11.986 24.666 30.538 443 HE3 LYS 49 3HE LYS 49 11.340 23.216 31.315 444 HZ1 LYS 49 1HZ LYS 49 12.426 23.812 33.343 445 HZ2 LYS 49 2HZ LYS 49 11.538 25.151 32.810 446 HZ3 LYS 49 3HZ LYS 49 13.215 25.115 32.612 447 H ALA 50 H ALA 50 10.506 23.318 26.573 448 HA ALA 50 HA ALA 50 10.839 24.927 24.146 449 HB1 ALA 50 1HB ALA 50 8.383 24.696 23.922 450 HB2 ALA 50 2HB ALA 50 8.315 23.837 25.466 451 HB3 ALA 50 3HB ALA 50 9.166 23.124 24.096 452 H ILE 51 H ILE 51 10.512 27.104 24.124 453 HA ILE 51 HA ILE 51 10.104 28.641 26.498 454 HB ILE 51 HB ILE 51 9.871 30.624 24.864 455 HG12 ILE 51 2HG1 ILE 51 10.851 30.030 22.478 456 HG13 ILE 51 3HG1 ILE 51 10.281 28.401 22.811 457 HG21 ILE 51 1HG2 ILE 51 12.283 30.619 24.288 458 HG22 ILE 51 2HG2 ILE 51 12.366 28.892 24.657 459 HG23 ILE 51 3HG2 ILE 51 11.997 30.049 25.936 460 HD11 ILE 51 1HD1 ILE 51 8.585 30.881 22.653 461 HD12 ILE 51 2HD1 ILE 51 7.999 29.246 22.972 462 HD13 ILE 51 3HD1 ILE 51 8.743 29.631 21.421 463 H GLU 52 H GLU 52 7.916 27.108 24.379 464 HA GLU 52 HA GLU 52 5.543 28.550 25.252 465 HB2 GLU 52 2HB GLU 52 5.862 25.930 23.700 466 HB3 GLU 52 3HB GLU 52 4.325 26.729 24.025 467 HG2 GLU 52 2HG GLU 52 6.594 27.844 22.356 468 HG3 GLU 52 3HG GLU 52 5.085 27.164 21.752 469 H ASP 53 H ASP 53 3.711 26.628 25.853 470 HA ASP 53 HA ASP 53 4.269 26.072 28.601 471 HB2 ASP 53 2HB ASP 53 1.894 25.155 26.923 472 HB3 ASP 53 3HB ASP 53 1.974 25.165 28.685 473 H GLY 54 H GLY 54 5.835 24.558 28.910 474 HA2 GLY 54 2HA GLY 54 5.849 21.927 27.718 475 HA3 GLY 54 3HA GLY 54 6.819 22.476 29.079 476 H VAL 55 H VAL 55 3.992 23.374 30.169 477 HA VAL 55 HA VAL 55 3.488 21.023 31.771 478 HB VAL 55 HB VAL 55 3.345 23.300 32.759 479 HG11 VAL 55 1HG1 VAL 55 1.472 24.826 32.270 480 HG12 VAL 55 2HG1 VAL 55 0.908 23.734 31.003 481 HG13 VAL 55 3HG1 VAL 55 2.464 24.548 30.834 482 HG21 VAL 55 1HG2 VAL 55 2.096 21.492 33.843 483 HG22 VAL 55 2HG2 VAL 55 0.688 21.831 32.837 484 HG23 VAL 55 3HG2 VAL 55 1.234 23.023 34.022 485 HA PRO 56 HA PRO 56 0.057 19.601 29.063 486 HB2 PRO 56 2HB PRO 56 -0.501 17.276 30.342 487 HB3 PRO 56 3HB PRO 56 0.989 17.443 29.386 488 HG2 PRO 56 2HG PRO 56 0.640 17.671 32.367 489 HG3 PRO 56 3HG PRO 56 1.886 16.790 31.450 490 HD2 PRO 56 2HD PRO 56 2.317 19.294 32.502 491 HD3 PRO 56 3HD PRO 56 3.141 18.705 31.042 492 H GLN 57 H GLN 57 -2.186 18.384 30.048 493 HA GLN 57 HA GLN 57 -3.503 20.563 31.444 494 HB2 GLN 57 2HB GLN 57 -4.800 17.968 30.558 495 HB3 GLN 57 3HB GLN 57 -5.607 19.463 30.976 496 HG2 GLN 57 2HG GLN 57 -5.747 19.388 28.635 497 HG3 GLN 57 3HG GLN 57 -4.409 20.493 28.928 498 HE21 GLN 57 1HE2 GLN 57 -5.295 17.301 27.807 499 HE22 GLN 57 2HE2 GLN 57 -3.797 16.939 27.029 500 HA PRO 58 HA PRO 58 -2.514 18.471 35.324 501 HB2 PRO 58 2HB PRO 58 -3.671 20.309 37.043 502 HB3 PRO 58 3HB PRO 58 -2.085 20.533 36.278 503 HG2 PRO 58 2HG PRO 58 -4.725 21.701 35.504 504 HG3 PRO 58 3HG PRO 58 -3.116 22.451 35.479 505 HD2 PRO 58 2HD PRO 58 -4.339 21.482 33.211 506 HD3 PRO 58 3HD PRO 58 -2.572 21.540 33.411 507 H GLU 59 H GLU 59 -5.763 20.005 35.625 508 HA GLU 59 HA GLU 59 -6.896 17.393 36.475 509 HB2 GLU 59 2HB GLU 59 -8.016 20.200 36.909 510 HB3 GLU 59 3HB GLU 59 -8.674 18.707 37.571 511 HG2 GLU 59 2HG GLU 59 -6.001 19.967 38.283 512 HG3 GLU 59 3HG GLU 59 -7.456 19.962 39.280 513 H ALA 60 H ALA 60 -6.985 19.879 34.078 514 HA ALA 60 HA ALA 60 -9.654 19.547 33.115 515 HB1 ALA 60 1HB ALA 60 -8.954 21.133 31.362 516 HB2 ALA 60 2HB ALA 60 -7.272 20.956 31.867 517 HB3 ALA 60 3HB ALA 60 -8.450 21.681 32.962 518 H LEU 61 H LEU 61 -7.195 17.373 32.779 519 HA LEU 61 HA LEU 61 -7.546 16.674 29.980 520 HB2 LEU 61 2HB LEU 61 -5.893 14.978 30.296 521 HB3 LEU 61 3HB LEU 61 -5.348 16.368 31.189 522 HG LEU 61 HG LEU 61 -4.701 14.602 32.560 523 HD11 LEU 61 1HD1 LEU 61 -6.036 14.551 34.582 524 HD12 LEU 61 2HD1 LEU 61 -7.399 15.272 33.720 525 HD13 LEU 61 3HD1 LEU 61 -5.904 16.184 33.932 526 HD21 LEU 61 1HD2 LEU 61 -7.301 13.140 32.077 527 HD22 LEU 61 2HD2 LEU 61 -5.953 12.574 33.066 528 HD23 LEU 61 3HD2 LEU 61 -5.739 12.784 31.330 529 H GLU 62 H GLU 62 -9.112 15.941 32.955 530 HA GLU 62 HA GLU 62 -10.207 13.369 32.109 531 HB2 GLU 62 2HB GLU 62 -9.449 13.745 34.467 532 HB3 GLU 62 3HB GLU 62 -10.705 14.967 34.654 533 HG2 GLU 62 2HG GLU 62 -12.456 13.260 34.317 534 HG3 GLU 62 3HG GLU 62 -11.228 12.018 34.075 535 H1 MET 1 1H MET 1 -0.364 -9.343 25.083 536 H2 MET 1 2H MET 1 -0.396 -8.583 23.576 537 H3 MET 1 3H MET 1 -1.368 -9.940 23.857 538 HA MET 1 HA MET 1 -2.662 -7.929 23.884 539 HB2 MET 1 2HB MET 1 -3.814 -8.291 26.032 540 HB3 MET 1 3HB MET 1 -3.360 -9.824 25.303 541 HG2 MET 1 2HG MET 1 -1.391 -9.921 26.848 542 HG3 MET 1 3HG MET 1 -1.982 -8.453 27.623 543 HE1 MET 1 1HE MET 1 -2.572 -12.278 27.010 544 HE2 MET 1 2HE MET 1 -4.021 -11.604 26.257 545 HE3 MET 1 3HE MET 1 -4.148 -12.527 27.754 546 H GLU 2 H GLU 2 0.197 -7.799 25.903 547 HA GLU 2 HA GLU 2 -0.327 -4.955 26.570 548 HB2 GLU 2 2HB GLU 2 1.228 -7.025 28.200 549 HB3 GLU 2 3HB GLU 2 1.148 -5.308 28.576 550 HG2 GLU 2 2HG GLU 2 -1.136 -7.298 28.639 551 HG3 GLU 2 3HG GLU 2 -0.372 -6.510 30.019 552 H GLU 3 H GLU 3 0.588 -4.793 24.345 553 HA GLU 3 HA GLU 3 3.546 -4.581 24.402 554 HB2 GLU 3 2HB GLU 3 3.343 -4.230 21.901 555 HB3 GLU 3 3HB GLU 3 2.843 -5.819 22.460 556 HG2 GLU 3 2HG GLU 3 0.491 -5.227 22.224 557 HG3 GLU 3 3HG GLU 3 0.917 -3.571 21.791 558 H LEU 4 H LEU 4 3.874 -2.737 25.512 559 HA LEU 4 HA LEU 4 2.336 -0.371 25.434 560 HB2 LEU 4 2HB LEU 4 5.280 -0.677 26.167 561 HB3 LEU 4 3HB LEU 4 4.256 0.690 26.584 562 HG LEU 4 HG LEU 4 4.006 -2.149 27.653 563 HD11 LEU 4 1HD1 LEU 4 4.591 -1.172 29.819 564 HD12 LEU 4 2HD1 LEU 4 4.806 0.411 29.065 565 HD13 LEU 4 3HD1 LEU 4 5.870 -0.931 28.632 566 HD21 LEU 4 1HD2 LEU 4 1.775 -1.216 27.383 567 HD22 LEU 4 2HD2 LEU 4 2.246 0.251 28.249 568 HD23 LEU 4 3HD2 LEU 4 2.194 -1.302 29.089 569 H SER 5 H SER 5 1.987 0.576 23.482 570 HA SER 5 HA SER 5 4.202 0.939 21.552 571 HB2 SER 5 2HB SER 5 1.218 1.420 21.197 572 HB3 SER 5 3HB SER 5 2.437 1.381 19.924 573 HG SER 5 HG SER 5 1.785 -0.811 21.617 574 H GLY 6 H GLY 6 3.731 2.561 24.109 575 HA2 GLY 6 2HA GLY 6 2.979 5.232 23.207 576 HA3 GLY 6 3HA GLY 6 3.371 4.729 24.842 577 H LYS 7 H LYS 7 5.595 3.839 22.332 578 HA LYS 7 HA LYS 7 7.338 6.177 22.844 579 HB2 LYS 7 2HB LYS 7 9.318 4.810 22.910 580 HB3 LYS 7 3HB LYS 7 8.195 4.121 24.065 581 HG2 LYS 7 2HG LYS 7 8.620 2.994 21.274 582 HG3 LYS 7 3HG LYS 7 9.541 2.468 22.686 583 HD2 LYS 7 2HD LYS 7 7.318 1.860 23.772 584 HD3 LYS 7 3HD LYS 7 6.553 2.183 22.213 585 HE2 LYS 7 2HE LYS 7 8.712 0.102 22.725 586 HE3 LYS 7 3HE LYS 7 6.992 -0.228 22.537 587 HZ1 LYS 7 1HZ LYS 7 8.825 0.857 20.470 588 HZ2 LYS 7 2HZ LYS 7 7.152 0.713 20.278 589 HZ3 LYS 7 3HZ LYS 7 8.097 -0.671 20.491 590 HA PRO 8 HA PRO 8 7.437 6.463 18.357 591 HB2 PRO 8 2HB PRO 8 9.853 7.628 17.824 592 HB3 PRO 8 3HB PRO 8 8.582 8.511 18.706 593 HG2 PRO 8 2HG PRO 8 10.943 7.017 19.831 594 HG3 PRO 8 3HG PRO 8 10.370 8.656 20.215 595 HD2 PRO 8 2HD PRO 8 9.748 6.530 21.785 596 HD3 PRO 8 3HD PRO 8 8.614 7.882 21.558 597 H LEU 9 H LEU 9 8.511 5.696 16.422 598 HA LEU 9 HA LEU 9 9.596 3.075 16.637 599 HB2 LEU 9 2HB LEU 9 9.906 3.338 14.084 600 HB3 LEU 9 3HB LEU 9 8.284 3.373 14.735 601 HG LEU 9 HG LEU 9 8.366 5.929 14.545 602 HD11 LEU 9 1HD1 LEU 9 9.950 6.907 12.916 603 HD12 LEU 9 2HD1 LEU 9 10.834 5.375 12.886 604 HD13 LEU 9 3HD1 LEU 9 10.744 6.319 14.373 605 HD21 LEU 9 1HD2 LEU 9 8.538 4.337 11.976 606 HD22 LEU 9 2HD2 LEU 9 7.815 5.937 12.161 607 HD23 LEU 9 3HD2 LEU 9 7.098 4.551 12.979 608 H SER 10 H SER 10 11.661 2.338 16.295 609 HA SER 10 HA SER 10 13.937 4.029 16.759 610 HB2 SER 10 2HB SER 10 13.783 1.060 16.007 611 HB3 SER 10 3HB SER 10 15.213 1.894 16.621 612 HG SER 10 HG SER 10 12.777 1.381 17.977 613 H TYR 11 H TYR 11 15.952 3.512 15.241 614 HA TYR 11 HA TYR 11 15.553 4.800 12.786 615 HB2 TYR 11 2HB TYR 11 17.752 4.711 13.936 616 HB3 TYR 11 3HB TYR 11 17.860 2.984 13.618 617 HD1 TYR 11 HD1 TYR 11 17.915 6.350 12.022 618 HD2 TYR 11 HD2 TYR 11 18.607 2.165 11.418 619 HE1 TYR 11 HE1 TYR 11 19.042 6.837 9.898 620 HE2 TYR 11 HE2 TYR 11 19.725 2.659 9.289 621 HH TYR 11 HH TYR 11 19.717 4.590 7.580 622 H ALA 12 H ALA 12 16.207 1.340 13.417 623 HA ALA 12 HA ALA 12 15.985 0.386 10.784 624 HB1 ALA 12 1HB ALA 12 15.828 -1.853 11.808 625 HB2 ALA 12 2HB ALA 12 15.524 -1.119 13.386 626 HB3 ALA 12 3HB ALA 12 17.081 -0.886 12.586 627 H GLU 13 H GLU 13 13.544 1.007 13.247 628 HA GLU 13 HA GLU 13 11.370 -0.355 11.978 629 HB2 GLU 13 2HB GLU 13 11.311 1.900 14.028 630 HB3 GLU 13 3HB GLU 13 9.918 0.934 13.533 631 HG2 GLU 13 2HG GLU 13 11.135 -1.105 14.367 632 HG3 GLU 13 3HG GLU 13 12.378 -0.026 15.007 633 H LYS 14 H LYS 14 12.567 2.987 11.941 634 HA LYS 14 HA LYS 14 10.615 4.125 10.246 635 HB2 LYS 14 2HB LYS 14 12.107 5.505 11.599 636 HB3 LYS 14 3HB LYS 14 13.519 4.895 10.759 637 HG2 LYS 14 2HG LYS 14 11.430 6.315 9.130 638 HG3 LYS 14 3HG LYS 14 12.429 7.291 10.201 639 HD2 LYS 14 2HD LYS 14 13.519 5.426 8.034 640 HD3 LYS 14 3HD LYS 14 13.308 7.174 7.846 641 HE2 LYS 14 2HE LYS 14 14.886 7.506 9.776 642 HE3 LYS 14 3HE LYS 14 15.169 5.762 9.791 643 HZ1 LYS 14 1HZ LYS 14 15.892 6.006 7.436 644 HZ2 LYS 14 2HZ LYS 14 16.889 6.781 8.552 645 HZ3 LYS 14 3HZ LYS 14 15.808 7.684 7.631 646 H GLU 15 H GLU 15 13.633 2.421 9.615 647 HA GLU 15 HA GLU 15 13.880 2.929 6.847 648 HB2 GLU 15 2HB GLU 15 14.938 0.656 8.570 649 HB3 GLU 15 3HB GLU 15 15.444 0.929 6.908 650 HG2 GLU 15 2HG GLU 15 15.760 3.001 9.077 651 HG3 GLU 15 3HG GLU 15 16.980 1.775 8.748 652 H LYS 16 H LYS 16 12.691 0.043 8.582 653 HA LYS 16 HA LYS 16 11.771 -1.352 6.306 654 HB2 LYS 16 2HB LYS 16 10.565 -2.828 7.796 655 HB3 LYS 16 3HB LYS 16 12.123 -2.448 8.516 656 HG2 LYS 16 2HG LYS 16 11.034 -0.826 10.025 657 HG3 LYS 16 3HG LYS 16 9.472 -1.188 9.303 658 HD2 LYS 16 2HD LYS 16 9.620 -2.336 11.410 659 HD3 LYS 16 3HD LYS 16 9.694 -3.544 10.131 660 HE2 LYS 16 2HE LYS 16 12.195 -2.459 11.461 661 HE3 LYS 16 3HE LYS 16 11.293 -3.817 12.129 662 HZ1 LYS 16 1HZ LYS 16 13.060 -4.638 10.799 663 HZ2 LYS 16 2HZ LYS 16 12.607 -3.698 9.474 664 HZ3 LYS 16 3HZ LYS 16 11.612 -4.967 9.987 665 H LEU 17 H LEU 17 10.325 1.208 8.212 666 HA LEU 17 HA LEU 17 7.656 0.849 7.278 667 HB2 LEU 17 2HB LEU 17 8.585 2.056 9.445 668 HB3 LEU 17 3HB LEU 17 8.663 3.470 8.419 669 HG LEU 17 HG LEU 17 6.575 3.194 9.902 670 HD11 LEU 17 1HD1 LEU 17 6.065 3.575 6.951 671 HD12 LEU 17 2HD1 LEU 17 6.623 4.818 8.073 672 HD13 LEU 17 3HD1 LEU 17 5.025 4.105 8.279 673 HD21 LEU 17 1HD2 LEU 17 6.257 0.776 9.501 674 HD22 LEU 17 2HD2 LEU 17 5.842 1.106 7.812 675 HD23 LEU 17 3HD2 LEU 17 4.814 1.703 9.117 676 H LYS 18 H LYS 18 10.289 3.121 6.333 677 HA LYS 18 HA LYS 18 8.638 4.533 4.465 678 HB2 LYS 18 2HB LYS 18 10.767 5.612 3.675 679 HB3 LYS 18 3HB LYS 18 10.485 5.747 5.398 680 HG2 LYS 18 2HG LYS 18 12.759 5.309 5.336 681 HG3 LYS 18 3HG LYS 18 12.098 3.696 5.594 682 HD2 LYS 18 2HD LYS 18 12.330 3.265 3.120 683 HD3 LYS 18 3HD LYS 18 13.092 4.846 2.946 684 HE2 LYS 18 2HE LYS 18 14.922 4.131 4.424 685 HE3 LYS 18 3HE LYS 18 14.148 2.559 4.641 686 HZ1 LYS 18 1HZ LYS 18 15.920 2.489 3.002 687 HZ2 LYS 18 2HZ LYS 18 15.130 3.656 2.064 688 HZ3 LYS 18 3HZ LYS 18 14.428 2.133 2.289 689 H GLU 19 H GLU 19 10.838 1.753 4.181 690 HA GLU 19 HA GLU 19 10.639 1.590 1.310 691 HB2 GLU 19 2HB GLU 19 11.821 -0.504 1.464 692 HB3 GLU 19 3HB GLU 19 12.569 0.625 2.588 693 HG2 GLU 19 2HG GLU 19 11.295 -0.431 4.445 694 HG3 GLU 19 3HG GLU 19 10.657 -1.620 3.309 695 H LYS 20 H LYS 20 8.803 0.261 4.055 696 HA LYS 20 HA LYS 20 7.042 -1.434 2.702 697 HB2 LYS 20 2HB LYS 20 6.709 -1.600 4.995 698 HB3 LYS 20 3HB LYS 20 6.913 0.122 5.262 699 HG2 LYS 20 2HG LYS 20 4.658 0.610 4.639 700 HG3 LYS 20 3HG LYS 20 4.418 -0.999 3.951 701 HD2 LYS 20 2HD LYS 20 4.875 -0.456 6.908 702 HD3 LYS 20 3HD LYS 20 3.283 -0.630 6.163 703 HE2 LYS 20 2HE LYS 20 4.030 -2.941 5.374 704 HE3 LYS 20 3HE LYS 20 5.449 -2.746 6.408 705 HZ1 LYS 20 1HZ LYS 20 2.612 -2.721 7.307 706 HZ2 LYS 20 2HZ LYS 20 3.957 -2.481 8.308 707 HZ3 LYS 20 3HZ LYS 20 3.731 -3.971 7.546 708 H LEU 21 H LEU 21 6.812 2.088 3.289 709 HA LEU 21 HA LEU 21 4.256 2.485 2.180 710 HB2 LEU 21 2HB LEU 21 6.516 4.516 2.400 711 HB3 LEU 21 3HB LEU 21 4.817 4.898 2.154 712 HG LEU 21 HG LEU 21 6.047 3.672 4.646 713 HD11 LEU 21 1HD1 LEU 21 4.787 6.383 4.241 714 HD12 LEU 21 2HD1 LEU 21 6.508 6.041 4.427 715 HD13 LEU 21 3HD1 LEU 21 5.405 5.729 5.763 716 HD21 LEU 21 1HD2 LEU 21 3.836 3.795 5.683 717 HD22 LEU 21 2HD2 LEU 21 3.835 2.698 4.305 718 HD23 LEU 21 3HD2 LEU 21 3.126 4.309 4.150 719 H ALA 22 H ALA 22 7.501 2.815 0.750 720 HA ALA 22 HA ALA 22 6.670 3.716 -1.834 721 HB1 ALA 22 1HB ALA 22 8.994 3.224 -2.513 722 HB2 ALA 22 2HB ALA 22 9.264 2.348 -1.004 723 HB3 ALA 22 3HB ALA 22 8.956 4.084 -0.969 724 H PHE 23 H PHE 23 7.273 0.495 -0.449 725 HA PHE 23 HA PHE 23 7.229 -0.990 -2.869 726 HB2 PHE 23 2HB PHE 23 8.254 -1.951 -0.875 727 HB3 PHE 23 3HB PHE 23 6.744 -1.843 0.020 728 HD1 PHE 23 HD1 PHE 23 8.192 -3.467 -3.054 729 HD2 PHE 23 HD2 PHE 23 5.395 -3.785 0.180 730 HE1 PHE 23 HE1 PHE 23 7.634 -5.759 -3.745 731 HE2 PHE 23 HE2 PHE 23 4.845 -6.066 -0.528 732 HZ PHE 23 HZ PHE 23 5.960 -7.059 -2.489 733 H LEU 24 H LEU 24 4.726 -0.547 -0.347 734 HA LEU 24 HA LEU 24 2.723 -1.965 -1.734 735 HB2 LEU 24 2HB LEU 24 1.144 -1.171 -0.054 736 HB3 LEU 24 3HB LEU 24 2.618 -1.758 0.676 737 HG LEU 24 HG LEU 24 3.282 0.763 0.913 738 HD11 LEU 24 1HD1 LEU 24 1.584 1.761 -0.518 739 HD12 LEU 24 2HD1 LEU 24 1.439 2.360 1.128 740 HD13 LEU 24 3HD1 LEU 24 0.303 1.148 0.531 741 HD21 LEU 24 1HD2 LEU 24 1.015 -0.338 2.602 742 HD22 LEU 24 2HD2 LEU 24 2.107 0.976 3.054 743 HD23 LEU 24 3HD2 LEU 24 2.741 -0.652 2.829 744 H LYS 25 H LYS 25 3.704 1.408 -1.780 745 HA LYS 25 HA LYS 25 1.458 2.480 -3.147 746 HB2 LYS 25 2HB LYS 25 2.911 3.962 -1.957 747 HB3 LYS 25 3HB LYS 25 4.325 3.424 -2.856 748 HG2 LYS 25 2HG LYS 25 3.525 4.522 -4.874 749 HG3 LYS 25 3HG LYS 25 2.005 4.956 -4.086 750 HD2 LYS 25 2HD LYS 25 4.769 5.966 -3.301 751 HD3 LYS 25 3HD LYS 25 3.565 6.875 -4.217 752 HE2 LYS 25 2HE LYS 25 2.025 6.769 -2.277 753 HE3 LYS 25 3HE LYS 25 3.255 5.894 -1.360 754 HZ1 LYS 25 1HZ LYS 25 3.524 8.651 -2.432 755 HZ2 LYS 25 2HZ LYS 25 4.712 7.804 -1.574 756 HZ3 LYS 25 3HZ LYS 25 3.265 8.222 -0.814 757 H LYS 26 H LYS 26 4.644 1.333 -4.375 758 HA LYS 26 HA LYS 26 4.154 2.110 -7.059 759 HB2 LYS 26 2HB LYS 26 6.132 0.815 -7.689 760 HB3 LYS 26 3HB LYS 26 6.456 1.746 -6.232 761 HG2 LYS 26 2HG LYS 26 6.240 -0.247 -4.849 762 HG3 LYS 26 3HG LYS 26 5.756 -1.205 -6.250 763 HD2 LYS 26 2HD LYS 26 8.014 -0.816 -7.256 764 HD3 LYS 26 3HD LYS 26 8.488 0.067 -5.800 765 HE2 LYS 26 2HE LYS 26 8.139 -1.964 -4.453 766 HE3 LYS 26 3HE LYS 26 7.629 -2.842 -5.896 767 HZ1 LYS 26 1HZ LYS 26 10.313 -1.665 -5.441 768 HZ2 LYS 26 2HZ LYS 26 9.822 -2.492 -6.829 769 HZ3 LYS 26 3HZ LYS 26 9.916 -3.310 -5.355 770 H GLU 27 H GLU 27 3.763 -1.019 -5.331 771 HA GLU 27 HA GLU 27 2.896 -2.493 -7.609 772 HB2 GLU 27 2HB GLU 27 2.243 -4.256 -6.101 773 HB3 GLU 27 3HB GLU 27 3.762 -3.591 -5.515 774 HG2 GLU 27 2HG GLU 27 2.661 -2.438 -3.715 775 HG3 GLU 27 3HG GLU 27 1.063 -2.802 -4.365 776 H TYR 28 H TYR 28 1.218 -0.586 -5.103 777 HA TYR 28 HA TYR 28 -1.455 -1.166 -5.597 778 HB2 TYR 28 2HB TYR 28 -0.917 0.194 -3.695 779 HB3 TYR 28 3HB TYR 28 -0.064 1.376 -4.667 780 HD1 TYR 28 HD1 TYR 28 -3.415 0.185 -3.625 781 HD2 TYR 28 HD2 TYR 28 -1.272 3.225 -5.730 782 HE1 TYR 28 HE1 TYR 28 -5.434 1.579 -3.661 783 HE2 TYR 28 HE2 TYR 28 -3.283 4.622 -5.766 784 HH TYR 28 HH TYR 28 -5.705 4.346 -5.639 785 H SER 29 H SER 29 0.560 1.366 -7.080 786 HA SER 29 HA SER 29 -1.475 2.456 -8.713 787 HB2 SER 29 2HB SER 29 0.525 3.737 -8.001 788 HB3 SER 29 3HB SER 29 1.550 2.701 -8.994 789 HG SER 29 HG SER 29 -0.526 3.734 -10.429 790 H ARG 30 H ARG 30 1.066 0.025 -9.323 791 HA ARG 30 HA ARG 30 0.634 -0.156 -12.154 792 HB2 ARG 30 2HB ARG 30 2.035 -2.056 -10.233 793 HB3 ARG 30 3HB ARG 30 2.070 -2.203 -11.991 794 HG2 ARG 30 2HG ARG 30 3.148 0.065 -12.102 795 HG3 ARG 30 3HG ARG 30 3.232 0.067 -10.341 796 HD2 ARG 30 2HD ARG 30 5.374 -0.635 -11.351 797 HD3 ARG 30 3HD ARG 30 4.649 -1.933 -10.392 798 HE ARG 30 HE ARG 30 3.882 -2.094 -13.131 799 HH11 ARG 30 1HH1 ARG 30 6.556 -2.892 -10.989 800 HH12 ARG 30 2HH1 ARG 30 7.136 -4.161 -12.020 801 HH21 ARG 30 1HH2 ARG 30 4.620 -3.754 -14.433 802 HH22 ARG 30 2HH2 ARG 30 6.036 -4.653 -13.981 803 H THR 31 H THR 31 -0.428 -2.116 -9.385 804 HA THR 31 HA THR 31 -1.695 -4.094 -11.035 805 HB THR 31 HB THR 31 -0.630 -4.607 -8.770 806 HG1 THR 31 HG1 THR 31 -1.793 -6.357 -8.855 807 HG21 THR 31 1HG2 THR 31 -2.034 -4.433 -6.765 808 HG22 THR 31 2HG2 THR 31 -3.285 -3.591 -7.679 809 HG23 THR 31 3HG2 THR 31 -1.720 -2.821 -7.410 810 H LEU 32 H LEU 32 -2.720 -1.212 -9.315 811 HA LEU 32 HA LEU 32 -5.532 -1.539 -9.690 812 HB2 LEU 32 2HB LEU 32 -4.576 0.037 -8.050 813 HB3 LEU 32 3HB LEU 32 -3.886 0.998 -9.338 814 HG LEU 32 HG LEU 32 -6.902 0.663 -9.265 815 HD11 LEU 32 1HD1 LEU 32 -5.413 2.625 -7.492 816 HD12 LEU 32 2HD1 LEU 32 -6.339 1.226 -6.940 817 HD13 LEU 32 3HD1 LEU 32 -7.162 2.564 -7.740 818 HD21 LEU 32 1HD2 LEU 32 -6.896 2.955 -10.190 819 HD22 LEU 32 2HD2 LEU 32 -5.902 1.878 -11.168 820 HD23 LEU 32 3HD2 LEU 32 -5.134 3.011 -10.057 821 H ALA 33 H ALA 33 -2.899 -0.085 -11.587 822 HA ALA 33 HA ALA 33 -4.338 1.088 -13.673 823 HB1 ALA 33 1HB ALA 33 -1.927 1.433 -13.301 824 HB2 ALA 33 2HB ALA 33 -2.240 0.946 -14.966 825 HB3 ALA 33 3HB ALA 33 -1.598 -0.228 -13.807 826 H ARG 34 H ARG 34 -3.004 -2.215 -13.460 827 HA ARG 34 HA ARG 34 -4.018 -3.095 -15.988 828 HB2 ARG 34 2HB ARG 34 -3.136 -5.262 -15.440 829 HB3 ARG 34 3HB ARG 34 -1.984 -4.059 -14.874 830 HG2 ARG 34 2HG ARG 34 -3.015 -4.338 -12.557 831 HG3 ARG 34 3HG ARG 34 -3.894 -5.723 -13.205 832 HD2 ARG 34 2HD ARG 34 -0.886 -5.400 -13.043 833 HD3 ARG 34 3HD ARG 34 -1.886 -6.449 -12.035 834 HE ARG 34 HE ARG 34 -2.308 -7.140 -14.730 835 HH11 ARG 34 1HH1 ARG 34 0.209 -7.385 -12.285 836 HH12 ARG 34 2HH1 ARG 34 0.911 -8.796 -12.988 837 HH21 ARG 34 1HH2 ARG 34 -1.361 -9.000 -15.635 838 HH22 ARG 34 2HH2 ARG 34 0.023 -9.716 -14.883 839 H LEU 35 H LEU 35 -5.192 -3.257 -12.646 840 HA LEU 35 HA LEU 35 -7.426 -4.932 -12.930 841 HB2 LEU 35 2HB LEU 35 -6.694 -4.190 -10.722 842 HB3 LEU 35 3HB LEU 35 -6.953 -2.510 -11.146 843 HG LEU 35 HG LEU 35 -9.439 -2.944 -11.226 844 HD11 LEU 35 1HD1 LEU 35 -8.745 -5.670 -10.112 845 HD12 LEU 35 2HD1 LEU 35 -9.427 -5.331 -11.706 846 HD13 LEU 35 3HD1 LEU 35 -10.367 -4.983 -10.256 847 HD21 LEU 35 1HD2 LEU 35 -8.418 -1.988 -9.212 848 HD22 LEU 35 2HD2 LEU 35 -8.139 -3.608 -8.568 849 HD23 LEU 35 3HD2 LEU 35 -9.786 -3.020 -8.810 850 H GLN 36 H GLN 36 -7.021 -1.431 -13.491 851 HA GLN 36 HA GLN 36 -9.708 -0.874 -14.207 852 HB2 GLN 36 2HB GLN 36 -7.174 0.660 -14.901 853 HB3 GLN 36 3HB GLN 36 -8.810 1.256 -15.168 854 HG2 GLN 36 2HG GLN 36 -7.512 0.666 -12.498 855 HG3 GLN 36 3HG GLN 36 -7.878 2.253 -13.157 856 HE21 GLN 36 1HE2 GLN 36 -8.714 0.976 -10.640 857 HE22 GLN 36 2HE2 GLN 36 -10.437 1.046 -10.622 858 H ARG 37 H ARG 37 -6.789 -1.539 -16.177 859 HA ARG 37 HA ARG 37 -7.990 -1.232 -18.711 860 HB2 ARG 37 2HB ARG 37 -5.555 -2.833 -17.843 861 HB3 ARG 37 3HB ARG 37 -6.028 -2.669 -19.533 862 HG2 ARG 37 2HG ARG 37 -5.282 -0.389 -17.670 863 HG3 ARG 37 3HG ARG 37 -4.256 -1.074 -18.932 864 HD2 ARG 37 2HD ARG 37 -5.934 -0.366 -20.641 865 HD3 ARG 37 3HD ARG 37 -6.902 0.368 -19.356 866 HE ARG 37 HE ARG 37 -4.301 1.418 -19.252 867 HH11 ARG 37 1HH1 ARG 37 -7.153 1.566 -21.324 868 HH12 ARG 37 2HH1 ARG 37 -6.784 3.156 -21.916 869 HH21 ARG 37 1HH2 ARG 37 -3.825 3.484 -20.053 870 HH22 ARG 37 2HH2 ARG 37 -4.892 4.244 -21.188 871 H ALA 38 H ALA 38 -7.936 -3.968 -16.518 872 HA ALA 38 HA ALA 38 -8.997 -5.921 -18.313 873 HB1 ALA 38 1HB ALA 38 -7.775 -6.547 -16.264 874 HB2 ALA 38 2HB ALA 38 -9.387 -7.265 -16.283 875 HB3 ALA 38 3HB ALA 38 -9.065 -5.854 -15.272 876 H LYS 39 H LYS 39 -10.460 -3.891 -15.753 877 HA LYS 39 HA LYS 39 -13.105 -4.956 -16.167 878 HB2 LYS 39 2HB LYS 39 -13.784 -3.576 -14.309 879 HB3 LYS 39 3HB LYS 39 -12.246 -4.337 -13.917 880 HG2 LYS 39 2HG LYS 39 -11.076 -2.214 -14.438 881 HG3 LYS 39 3HG LYS 39 -12.624 -1.449 -14.799 882 HD2 LYS 39 2HD LYS 39 -11.775 -2.583 -12.097 883 HD3 LYS 39 3HD LYS 39 -11.841 -0.870 -12.523 884 HE2 LYS 39 2HE LYS 39 -14.301 -1.088 -12.887 885 HE3 LYS 39 3HE LYS 39 -14.204 -2.776 -12.379 886 HZ1 LYS 39 1HZ LYS 39 -13.499 -0.438 -10.706 887 HZ2 LYS 39 2HZ LYS 39 -13.437 -2.052 -10.222 888 HZ3 LYS 39 3HZ LYS 39 -14.924 -1.336 -10.591 889 H ARG 40 H ARG 40 -11.426 -2.164 -17.407 890 HA ARG 40 HA ARG 40 -13.830 -0.691 -18.111 891 HB2 ARG 40 2HB ARG 40 -10.924 -0.151 -18.838 892 HB3 ARG 40 3HB ARG 40 -12.266 0.900 -19.270 893 HG2 ARG 40 2HG ARG 40 -11.334 0.274 -16.444 894 HG3 ARG 40 3HG ARG 40 -11.003 1.758 -17.335 895 HD2 ARG 40 2HD ARG 40 -12.752 2.291 -15.852 896 HD3 ARG 40 3HD ARG 40 -13.545 2.094 -17.415 897 HE ARG 40 HE ARG 40 -13.701 -0.373 -16.148 898 HH11 ARG 40 1HH1 ARG 40 -14.834 2.882 -15.427 899 HH12 ARG 40 2HH1 ARG 40 -16.213 2.327 -14.536 900 HH21 ARG 40 1HH2 ARG 40 -15.536 -1.076 -15.026 901 HH22 ARG 40 2HH2 ARG 40 -16.604 0.086 -14.310 902 H ALA 41 H ALA 41 -11.250 -2.419 -19.849 903 HA ALA 41 HA ALA 41 -12.418 -2.098 -22.444 904 HB1 ALA 41 1HB ALA 41 -10.628 -3.621 -23.200 905 HB2 ALA 41 2HB ALA 41 -10.217 -3.972 -21.519 906 HB3 ALA 41 3HB ALA 41 -9.987 -2.345 -22.159 907 H GLU 42 H GLU 42 -11.944 -4.926 -20.289 908 HA GLU 42 HA GLU 42 -12.817 -7.006 -20.192 909 HB2 GLU 42 2HB GLU 42 -15.363 -5.469 -20.847 910 HB3 GLU 42 3HB GLU 42 -15.346 -7.134 -20.263 911 HG2 GLU 42 2HG GLU 42 -14.161 -6.345 -18.203 912 HG3 GLU 42 3HG GLU 42 -14.346 -4.686 -18.778 913 H LYS 43 H LYS 43 -11.860 -6.099 -22.826 914 HA LYS 43 HA LYS 43 -13.297 -6.746 -25.062 915 HB2 LYS 43 2HB LYS 43 -11.169 -6.885 -26.265 916 HB3 LYS 43 3HB LYS 43 -11.117 -5.574 -25.098 917 HG2 LYS 43 2HG LYS 43 -9.864 -8.300 -24.599 918 HG3 LYS 43 3HG LYS 43 -8.986 -6.945 -25.309 919 HD2 LYS 43 2HD LYS 43 -9.276 -5.627 -23.260 920 HD3 LYS 43 3HD LYS 43 -10.291 -6.884 -22.551 921 HE2 LYS 43 2HE LYS 43 -8.040 -6.963 -21.611 922 HE3 LYS 43 3HE LYS 43 -8.361 -8.424 -22.546 923 HZ1 LYS 43 1HZ LYS 43 -6.825 -6.075 -23.532 924 HZ2 LYS 43 2HZ LYS 43 -7.068 -7.531 -24.360 925 HZ3 LYS 43 3HZ LYS 43 -6.142 -7.506 -22.947 926 H ALA 44 H ALA 44 -11.784 -9.041 -22.877 927 HA ALA 44 HA ALA 44 -11.531 -11.299 -24.523 928 HB1 ALA 44 1HB ALA 44 -11.409 -12.590 -22.438 929 HB2 ALA 44 2HB ALA 44 -12.052 -11.219 -21.533 930 HB3 ALA 44 3HB ALA 44 -10.470 -11.101 -22.310 931 H LYS 45 H LYS 45 -14.388 -9.977 -22.925 932 HA LYS 45 HA LYS 45 -16.052 -12.297 -23.253 933 HB2 LYS 45 2HB LYS 45 -17.918 -10.923 -22.607 934 HB3 LYS 45 3HB LYS 45 -16.559 -10.432 -21.605 935 HG2 LYS 45 2HG LYS 45 -16.252 -8.404 -22.900 936 HG3 LYS 45 3HG LYS 45 -17.423 -8.926 -24.105 937 HD2 LYS 45 2HD LYS 45 -18.383 -7.229 -22.639 938 HD3 LYS 45 3HD LYS 45 -19.227 -8.764 -22.434 939 HE2 LYS 45 2HE LYS 45 -17.953 -9.171 -20.350 940 HE3 LYS 45 3HE LYS 45 -17.101 -7.640 -20.576 941 HZ1 LYS 45 1HZ LYS 45 -19.193 -6.473 -20.381 942 HZ2 LYS 45 2HZ LYS 45 -18.947 -7.444 -19.019 943 HZ3 LYS 45 3HZ LYS 45 -20.036 -7.929 -20.218 944 H ASN 46 H ASN 46 -15.059 -9.667 -25.287 945 HA ASN 46 HA ASN 46 -15.639 -8.803 -27.271 946 HB2 ASN 46 2HB ASN 46 -14.952 -10.951 -28.187 947 HB3 ASN 46 3HB ASN 46 -16.495 -11.686 -27.782 948 HD21 ASN 46 1HD2 ASN 46 -16.110 -8.488 -29.303 949 HD22 ASN 46 2HD2 ASN 46 -16.802 -8.959 -30.809 950 H SER 47 H SER 47 -17.139 -7.331 -26.573 951 HA SER 47 HA SER 47 -19.756 -7.905 -25.654 952 HB2 SER 47 2HB SER 47 -18.614 -5.224 -26.581 953 HB3 SER 47 3HB SER 47 -20.010 -5.462 -25.526 954 HG SER 47 HG SER 47 -18.363 -5.118 -24.164 955 H LYS 48 H LYS 48 -20.653 -9.170 -27.307 956 HA LYS 48 HA LYS 48 -21.725 -9.809 -29.139 957 HB2 LYS 48 2HB LYS 48 -23.450 -8.477 -28.006 958 HB3 LYS 48 3HB LYS 48 -22.967 -7.061 -28.933 959 HG2 LYS 48 2HG LYS 48 -23.749 -8.035 -30.998 960 HG3 LYS 48 3HG LYS 48 -23.978 -9.608 -30.237 961 HD2 LYS 48 2HD LYS 48 -26.138 -8.494 -30.590 962 HD3 LYS 48 3HD LYS 48 -25.821 -8.699 -28.866 963 HE2 LYS 48 2HE LYS 48 -26.790 -6.488 -29.353 964 HE3 LYS 48 3HE LYS 48 -25.158 -6.322 -28.706 965 HZ1 LYS 48 1HZ LYS 48 -25.506 -4.853 -30.554 966 HZ2 LYS 48 2HZ LYS 48 -25.946 -6.132 -31.562 967 HZ3 LYS 48 3HZ LYS 48 -24.360 -6.017 -30.982 968 H LYS 49 H LYS 49 -21.525 -6.447 -30.229 969 HA LYS 49 HA LYS 49 -19.779 -7.182 -32.481 970 HB2 LYS 49 2HB LYS 49 -22.561 -5.976 -32.672 971 HB3 LYS 49 3HB LYS 49 -21.371 -5.610 -33.908 972 HG2 LYS 49 2HG LYS 49 -21.888 -8.508 -33.300 973 HG3 LYS 49 3HG LYS 49 -23.136 -7.613 -34.159 974 HD2 LYS 49 2HD LYS 49 -21.717 -8.724 -35.788 975 HD3 LYS 49 3HD LYS 49 -21.449 -6.986 -35.904 976 HE2 LYS 49 2HE LYS 49 -19.366 -7.258 -34.564 977 HE3 LYS 49 3HE LYS 49 -19.645 -9.000 -34.526 978 HZ1 LYS 49 1HZ LYS 49 -19.238 -7.382 -36.977 979 HZ2 LYS 49 2HZ LYS 49 -19.446 -9.059 -36.913 980 HZ3 LYS 49 3HZ LYS 49 -18.065 -8.352 -36.238 981 H ALA 50 H ALA 50 -18.102 -5.850 -32.382 982 HA ALA 50 HA ALA 50 -18.381 -3.036 -31.564 983 HB1 ALA 50 1HB ALA 50 -15.920 -2.957 -31.774 984 HB2 ALA 50 2HB ALA 50 -15.904 -4.621 -32.357 985 HB3 ALA 50 3HB ALA 50 -16.417 -4.275 -30.706 986 H ILE 51 H ILE 51 -19.586 -2.191 -33.230 987 HA ILE 51 HA ILE 51 -19.255 -2.890 -35.989 988 HB ILE 51 HB ILE 51 -21.029 -1.149 -36.427 989 HG12 ILE 51 2HG1 ILE 51 -22.278 -0.335 -34.230 990 HG13 ILE 51 3HG1 ILE 51 -20.732 -0.594 -33.438 991 HG21 ILE 51 1HG2 ILE 51 -22.846 -2.406 -35.300 992 HG22 ILE 51 2HG2 ILE 51 -21.661 -3.171 -34.241 993 HG23 ILE 51 3HG2 ILE 51 -21.624 -3.488 -35.977 994 HD11 ILE 51 1HD1 ILE 51 -21.243 1.303 -35.730 995 HD12 ILE 51 2HD1 ILE 51 -19.704 1.084 -34.889 996 HD13 ILE 51 3HD1 ILE 51 -21.097 1.742 -34.030 997 H GLU 52 H GLU 52 -17.902 -0.420 -33.994 998 HA GLU 52 HA GLU 52 -16.721 1.152 -36.069 999 HB2 GLU 52 2HB GLU 52 -15.840 0.649 -33.184 1000 HB3 GLU 52 3HB GLU 52 -15.078 1.815 -34.258 1001 HG2 GLU 52 2HG GLU 52 -17.953 1.928 -33.296 1002 HG3 GLU 52 3HG GLU 52 -16.614 2.884 -32.662 1003 H ASP 53 H ASP 53 -15.360 0.248 -37.542 1004 HA ASP 53 HA ASP 53 -13.985 -2.204 -37.250 1005 HB2 ASP 53 2HB ASP 53 -13.605 0.088 -39.224 1006 HB3 ASP 53 3HB ASP 53 -12.732 -1.439 -39.343 1007 H GLY 54 H GLY 54 -12.715 -2.272 -35.483 1008 HA2 GLY 54 2HA GLY 54 -10.713 -0.294 -34.820 1009 HA3 GLY 54 3HA GLY 54 -10.982 -1.837 -34.023 1010 H VAL 55 H VAL 55 -10.144 -0.863 -37.329 1011 HA VAL 55 HA VAL 55 -8.172 -2.975 -37.587 1012 HB VAL 55 HB VAL 55 -9.676 -2.662 -39.477 1013 HG11 VAL 55 1HG1 VAL 55 -8.647 0.183 -39.692 1014 HG12 VAL 55 2HG1 VAL 55 -10.265 -0.301 -39.179 1015 HG13 VAL 55 3HG1 VAL 55 -9.741 -0.601 -40.838 1016 HG21 VAL 55 1HG2 VAL 55 -6.877 -1.721 -40.202 1017 HG22 VAL 55 2HG2 VAL 55 -8.047 -2.416 -41.326 1018 HG23 VAL 55 3HG2 VAL 55 -7.394 -3.400 -40.016 1019 HA PRO 56 HA PRO 56 -4.879 0.149 -36.927 1020 HB2 PRO 56 2HB PRO 56 -2.952 -1.499 -36.052 1021 HB3 PRO 56 3HB PRO 56 -4.364 -1.191 -35.021 1022 HG2 PRO 56 2HG PRO 56 -3.754 -3.606 -36.695 1023 HG3 PRO 56 3HG PRO 56 -4.502 -3.510 -35.085 1024 HD2 PRO 56 2HD PRO 56 -5.907 -3.738 -37.533 1025 HD3 PRO 56 3HD PRO 56 -6.615 -3.279 -35.969 1026 H GLN 57 H GLN 57 -2.404 -0.085 -37.694 1027 HA GLN 57 HA GLN 57 -2.344 -0.717 -40.498 1028 HB2 GLN 57 2HB GLN 57 -0.124 0.132 -38.610 1029 HB3 GLN 57 3HB GLN 57 0.134 -0.173 -40.319 1030 HG2 GLN 57 2HG GLN 57 -0.033 2.212 -39.989 1031 HG3 GLN 57 3HG GLN 57 -1.470 1.671 -40.854 1032 HE21 GLN 57 1HE2 GLN 57 -0.244 2.782 -37.759 1033 HE22 GLN 57 2HE2 GLN 57 -1.771 3.290 -37.128 1034 HA PRO 58 HA PRO 58 -1.901 -5.097 -39.769 1035 HB2 PRO 58 2HB PRO 58 -0.878 -5.804 -42.298 1036 HB3 PRO 58 3HB PRO 58 -2.588 -5.561 -41.920 1037 HG2 PRO 58 2HG PRO 58 -0.656 -3.640 -43.160 1038 HG3 PRO 58 3HG PRO 58 -2.355 -3.956 -43.582 1039 HD2 PRO 58 2HD PRO 58 -1.695 -1.783 -42.157 1040 HD3 PRO 58 3HD PRO 58 -3.183 -2.688 -41.781 1041 H GLU 59 H GLU 59 0.873 -3.501 -41.328 1042 HA GLU 59 HA GLU 59 2.757 -5.187 -39.764 1043 HB2 GLU 59 2HB GLU 59 2.767 -5.764 -42.186 1044 HB3 GLU 59 3HB GLU 59 3.149 -4.090 -42.577 1045 HG2 GLU 59 2HG GLU 59 5.300 -4.315 -41.326 1046 HG3 GLU 59 3HG GLU 59 4.917 -6.010 -41.023 1047 H ALA 60 H ALA 60 1.890 -1.973 -40.887 1048 HA ALA 60 HA ALA 60 4.439 -0.754 -40.152 1049 HB1 ALA 60 1HB ALA 60 3.285 -0.033 -42.200 1050 HB2 ALA 60 2HB ALA 60 3.459 1.315 -41.076 1051 HB3 ALA 60 3HB ALA 60 1.897 0.505 -41.256 1052 H LEU 61 H LEU 61 3.825 -1.680 -37.845 1053 HA LEU 61 HA LEU 61 2.089 -0.120 -36.194 1054 HB2 LEU 61 2HB LEU 61 4.348 -2.063 -35.565 1055 HB3 LEU 61 3HB LEU 61 3.512 -1.191 -34.295 1056 HG LEU 61 HG LEU 61 2.560 -3.396 -34.406 1057 HD11 LEU 61 1HD1 LEU 61 0.595 -1.473 -35.684 1058 HD12 LEU 61 2HD1 LEU 61 0.968 -1.598 -33.961 1059 HD13 LEU 61 3HD1 LEU 61 0.203 -2.948 -34.793 1060 HD21 LEU 61 1HD2 LEU 61 1.526 -4.381 -36.395 1061 HD22 LEU 61 2HD2 LEU 61 3.232 -4.041 -36.673 1062 HD23 LEU 61 3HD2 LEU 61 2.002 -2.978 -37.359 1063 H GLU 62 H GLU 62 5.485 0.064 -37.099 1064 HA GLU 62 HA GLU 62 5.886 2.538 -35.541 1065 HB2 GLU 62 2HB GLU 62 7.635 0.780 -35.360 1066 HB3 GLU 62 3HB GLU 62 7.871 0.828 -37.102 1067 HG2 GLU 62 2HG GLU 62 9.658 2.043 -35.903 1068 HG3 GLU 62 3HG GLU 62 8.740 3.109 -36.969 Start of MODEL 15 1 H1 MET 1 1H MET 1 -17.143 -22.679 -34.465 2 H2 MET 1 2H MET 1 -18.063 -21.725 -35.517 3 H3 MET 1 3H MET 1 -18.190 -21.507 -33.846 4 HA MET 1 HA MET 1 -15.739 -21.043 -35.420 5 HB2 MET 1 2HB MET 1 -16.222 -18.589 -35.016 6 HB3 MET 1 3HB MET 1 -17.343 -19.383 -36.105 7 HG2 MET 1 2HG MET 1 -18.984 -19.557 -34.226 8 HG3 MET 1 3HG MET 1 -17.871 -18.629 -33.219 9 HE1 MET 1 1HE MET 1 -20.835 -17.630 -33.520 10 HE2 MET 1 2HE MET 1 -20.599 -15.926 -33.903 11 HE3 MET 1 3HE MET 1 -19.597 -16.695 -32.676 12 H GLU 2 H GLU 2 -14.396 -22.064 -33.992 13 HA GLU 2 HA GLU 2 -14.490 -21.737 -31.136 14 HB2 GLU 2 2HB GLU 2 -13.680 -23.806 -32.163 15 HB3 GLU 2 3HB GLU 2 -12.359 -22.935 -32.937 16 HG2 GLU 2 2HG GLU 2 -11.431 -22.385 -30.688 17 HG3 GLU 2 3HG GLU 2 -12.728 -23.324 -29.937 18 H GLU 3 H GLU 3 -14.110 -19.786 -30.362 19 HA GLU 3 HA GLU 3 -11.694 -18.254 -31.134 20 HB2 GLU 3 2HB GLU 3 -14.478 -17.119 -30.574 21 HB3 GLU 3 3HB GLU 3 -13.034 -16.166 -30.905 22 HG2 GLU 3 2HG GLU 3 -12.899 -17.122 -33.166 23 HG3 GLU 3 3HG GLU 3 -14.314 -18.117 -32.846 24 H LEU 4 H LEU 4 -10.444 -18.597 -29.368 25 HA LEU 4 HA LEU 4 -11.547 -18.172 -26.649 26 HB2 LEU 4 2HB LEU 4 -9.386 -20.160 -27.489 27 HB3 LEU 4 3HB LEU 4 -9.869 -19.848 -25.831 28 HG LEU 4 HG LEU 4 -11.580 -21.146 -27.991 29 HD11 LEU 4 1HD1 LEU 4 -11.421 -23.172 -26.626 30 HD12 LEU 4 2HD1 LEU 4 -10.377 -22.334 -25.474 31 HD13 LEU 4 3HD1 LEU 4 -9.826 -22.615 -27.127 32 HD21 LEU 4 1HD2 LEU 4 -13.017 -19.814 -26.543 33 HD22 LEU 4 2HD2 LEU 4 -12.322 -20.564 -25.104 34 HD23 LEU 4 3HD2 LEU 4 -13.268 -21.531 -26.239 35 H SER 5 H SER 5 -10.816 -16.217 -26.067 36 HA SER 5 HA SER 5 -8.134 -15.278 -26.847 37 HB2 SER 5 2HB SER 5 -10.512 -13.742 -25.705 38 HB3 SER 5 3HB SER 5 -8.990 -13.024 -26.248 39 HG SER 5 HG SER 5 -9.970 -12.924 -28.117 40 H GLY 6 H GLY 6 -6.907 -14.037 -25.215 41 HA2 GLY 6 2HA GLY 6 -6.639 -15.472 -22.721 42 HA3 GLY 6 3HA GLY 6 -5.660 -14.123 -23.277 43 H LYS 7 H LYS 7 -8.768 -14.972 -21.886 44 HA LYS 7 HA LYS 7 -9.979 -12.600 -21.315 45 HB2 LYS 7 2HB LYS 7 -11.287 -13.785 -19.664 46 HB3 LYS 7 3HB LYS 7 -10.905 -14.925 -20.939 47 HG2 LYS 7 2HG LYS 7 -9.484 -14.780 -18.256 48 HG3 LYS 7 3HG LYS 7 -10.776 -15.909 -18.659 49 HD2 LYS 7 2HD LYS 7 -9.367 -16.995 -20.340 50 HD3 LYS 7 3HD LYS 7 -8.095 -15.795 -20.102 51 HE2 LYS 7 2HE LYS 7 -7.539 -17.901 -18.964 52 HE3 LYS 7 3HE LYS 7 -7.767 -16.607 -17.787 53 HZ1 LYS 7 1HZ LYS 7 -9.978 -17.452 -17.328 54 HZ2 LYS 7 2HZ LYS 7 -8.836 -18.674 -17.101 55 HZ3 LYS 7 3HZ LYS 7 -9.800 -18.667 -18.490 56 HA PRO 8 HA PRO 8 -7.587 -10.441 -18.198 57 HB2 PRO 8 2HB PRO 8 -9.466 -8.880 -16.964 58 HB3 PRO 8 3HB PRO 8 -8.987 -8.622 -18.654 59 HG2 PRO 8 2HG PRO 8 -11.435 -9.952 -17.579 60 HG3 PRO 8 3HG PRO 8 -11.255 -8.890 -18.989 61 HD2 PRO 8 2HD PRO 8 -11.399 -11.656 -19.129 62 HD3 PRO 8 3HD PRO 8 -10.676 -10.620 -20.376 63 H LEU 9 H LEU 9 -8.326 -9.632 -15.593 64 HA LEU 9 HA LEU 9 -7.499 -11.925 -14.196 65 HB2 LEU 9 2HB LEU 9 -7.940 -10.477 -12.100 66 HB3 LEU 9 3HB LEU 9 -6.744 -9.941 -13.257 67 HG LEU 9 HG LEU 9 -8.476 -8.309 -14.178 68 HD11 LEU 9 1HD1 LEU 9 -10.057 -9.012 -11.693 69 HD12 LEU 9 2HD1 LEU 9 -10.548 -9.285 -13.365 70 HD13 LEU 9 3HD1 LEU 9 -10.365 -7.640 -12.762 71 HD21 LEU 9 1HD2 LEU 9 -7.622 -7.934 -11.292 72 HD22 LEU 9 2HD2 LEU 9 -8.136 -6.652 -12.393 73 HD23 LEU 9 3HD2 LEU 9 -6.667 -7.565 -12.733 74 H SER 10 H SER 10 -8.485 -13.287 -12.755 75 HA SER 10 HA SER 10 -11.232 -13.987 -13.226 76 HB2 SER 10 2HB SER 10 -9.284 -15.097 -11.153 77 HB3 SER 10 3HB SER 10 -10.741 -15.888 -11.764 78 HG SER 10 HG SER 10 -8.790 -16.621 -12.765 79 H TYR 11 H TYR 11 -12.539 -14.652 -11.107 80 HA TYR 11 HA TYR 11 -13.342 -12.297 -9.778 81 HB2 TYR 11 2HB TYR 11 -14.929 -14.134 -10.119 82 HB3 TYR 11 3HB TYR 11 -13.943 -15.227 -9.153 83 HD1 TYR 11 HD1 TYR 11 -15.656 -11.876 -8.789 84 HD2 TYR 11 HD2 TYR 11 -14.656 -15.597 -6.936 85 HE1 TYR 11 HE1 TYR 11 -16.843 -11.189 -6.740 86 HE2 TYR 11 HE2 TYR 11 -15.841 -14.908 -4.900 87 HH TYR 11 HH TYR 11 -17.903 -12.307 -4.713 88 H ALA 12 H ALA 12 -11.421 -15.103 -8.692 89 HA ALA 12 HA ALA 12 -10.927 -14.305 -6.038 90 HB1 ALA 12 1HB ALA 12 -10.566 -16.592 -6.853 91 HB2 ALA 12 2HB ALA 12 -9.118 -15.961 -6.072 92 HB3 ALA 12 3HB ALA 12 -9.208 -16.044 -7.835 93 H GLU 13 H GLU 13 -9.217 -13.634 -9.058 94 HA GLU 13 HA GLU 13 -6.896 -12.427 -7.960 95 HB2 GLU 13 2HB GLU 13 -8.124 -11.996 -10.720 96 HB3 GLU 13 3HB GLU 13 -6.464 -11.644 -10.254 97 HG2 GLU 13 2HG GLU 13 -7.748 -14.377 -10.446 98 HG3 GLU 13 3HG GLU 13 -6.563 -13.694 -11.554 99 H LYS 14 H LYS 14 -9.931 -11.154 -9.224 100 HA LYS 14 HA LYS 14 -9.483 -8.394 -9.055 101 HB2 LYS 14 2HB LYS 14 -11.321 -9.354 -10.344 102 HB3 LYS 14 3HB LYS 14 -12.043 -10.029 -8.889 103 HG2 LYS 14 2HG LYS 14 -12.365 -7.633 -8.067 104 HG3 LYS 14 3HG LYS 14 -11.864 -7.099 -9.673 105 HD2 LYS 14 2HD LYS 14 -14.284 -8.815 -8.995 106 HD3 LYS 14 3HD LYS 14 -14.300 -7.141 -9.557 107 HE2 LYS 14 2HE LYS 14 -13.237 -7.924 -11.697 108 HE3 LYS 14 3HE LYS 14 -13.414 -9.580 -11.126 109 HZ1 LYS 14 1HZ LYS 14 -15.769 -9.343 -11.111 110 HZ2 LYS 14 2HZ LYS 14 -15.201 -8.859 -12.625 111 HZ3 LYS 14 3HZ LYS 14 -15.677 -7.699 -11.494 112 H GLU 15 H GLU 15 -11.223 -10.585 -6.820 113 HA GLU 15 HA GLU 15 -11.918 -8.626 -4.922 114 HB2 GLU 15 2HB GLU 15 -12.581 -10.453 -3.446 115 HB3 GLU 15 3HB GLU 15 -13.098 -10.796 -5.094 116 HG2 GLU 15 2HG GLU 15 -11.372 -12.427 -5.392 117 HG3 GLU 15 3HG GLU 15 -10.563 -11.948 -3.906 118 H LYS 16 H LYS 16 -9.105 -10.867 -5.034 119 HA LYS 16 HA LYS 16 -8.054 -10.041 -2.515 120 HB2 LYS 16 2HB LYS 16 -6.143 -11.362 -2.936 121 HB3 LYS 16 3HB LYS 16 -7.462 -12.217 -3.721 122 HG2 LYS 16 2HG LYS 16 -6.726 -11.361 -5.919 123 HG3 LYS 16 3HG LYS 16 -5.437 -10.453 -5.139 124 HD2 LYS 16 2HD LYS 16 -4.329 -12.338 -5.973 125 HD3 LYS 16 3HD LYS 16 -4.586 -12.757 -4.283 126 HE2 LYS 16 2HE LYS 16 -6.273 -13.717 -6.624 127 HE3 LYS 16 3HE LYS 16 -5.016 -14.648 -5.820 128 HZ1 LYS 16 1HZ LYS 16 -7.580 -13.741 -4.626 129 HZ2 LYS 16 2HZ LYS 16 -6.341 -14.497 -3.764 130 HZ3 LYS 16 3HZ LYS 16 -7.134 -15.330 -4.999 131 H LEU 17 H LEU 17 -7.815 -8.795 -5.764 132 HA LEU 17 HA LEU 17 -5.544 -7.114 -5.320 133 HB2 LEU 17 2HB LEU 17 -6.754 -8.014 -7.574 134 HB3 LEU 17 3HB LEU 17 -7.519 -6.443 -7.495 135 HG LEU 17 HG LEU 17 -5.519 -6.454 -8.967 136 HD11 LEU 17 1HD1 LEU 17 -4.409 -4.473 -8.133 137 HD12 LEU 17 2HD1 LEU 17 -5.040 -4.746 -6.505 138 HD13 LEU 17 3HD1 LEU 17 -6.139 -4.349 -7.829 139 HD21 LEU 17 1HD2 LEU 17 -4.247 -8.211 -7.782 140 HD22 LEU 17 2HD2 LEU 17 -3.926 -7.088 -6.454 141 HD23 LEU 17 3HD2 LEU 17 -3.272 -6.771 -8.063 142 H LYS 18 H LYS 18 -9.092 -6.486 -5.359 143 HA LYS 18 HA LYS 18 -8.802 -3.689 -4.894 144 HB2 LYS 18 2HB LYS 18 -11.270 -3.674 -4.517 145 HB3 LYS 18 3HB LYS 18 -10.789 -4.431 -6.020 146 HG2 LYS 18 2HG LYS 18 -12.517 -5.792 -5.276 147 HG3 LYS 18 3HG LYS 18 -11.081 -6.680 -4.776 148 HD2 LYS 18 2HD LYS 18 -11.375 -5.825 -2.464 149 HD3 LYS 18 3HD LYS 18 -12.799 -4.918 -2.974 150 HE2 LYS 18 2HE LYS 18 -14.004 -6.967 -3.438 151 HE3 LYS 18 3HE LYS 18 -12.558 -7.938 -3.150 152 HZ1 LYS 18 1HZ LYS 18 -14.051 -7.966 -1.248 153 HZ2 LYS 18 2HZ LYS 18 -13.954 -6.285 -1.105 154 HZ3 LYS 18 3HZ LYS 18 -12.584 -7.240 -0.837 155 H GLU 19 H GLU 19 -9.181 -6.493 -2.736 156 HA GLU 19 HA GLU 19 -9.481 -4.886 -0.349 157 HB2 GLU 19 2HB GLU 19 -9.395 -6.919 0.907 158 HB3 GLU 19 3HB GLU 19 -10.280 -7.289 -0.569 159 HG2 GLU 19 2HG GLU 19 -8.237 -8.298 -1.528 160 HG3 GLU 19 3HG GLU 19 -7.373 -7.951 -0.038 161 H LYS 20 H LYS 20 -6.764 -6.287 -2.152 162 HA LYS 20 HA LYS 20 -4.646 -5.677 -0.432 163 HB2 LYS 20 2HB LYS 20 -3.862 -6.883 -2.244 164 HB3 LYS 20 3HB LYS 20 -4.903 -6.063 -3.390 165 HG2 LYS 20 2HG LYS 20 -3.399 -4.206 -3.595 166 HG3 LYS 20 3HG LYS 20 -2.464 -4.712 -2.184 167 HD2 LYS 20 2HD LYS 20 -2.628 -6.278 -4.790 168 HD3 LYS 20 3HD LYS 20 -1.328 -5.157 -4.377 169 HE2 LYS 20 2HE LYS 20 -0.868 -6.578 -2.331 170 HE3 LYS 20 3HE LYS 20 -2.037 -7.744 -2.960 171 HZ1 LYS 20 1HZ LYS 20 -0.655 -7.947 -4.963 172 HZ2 LYS 20 2HZ LYS 20 0.192 -8.385 -3.565 173 HZ3 LYS 20 3HZ LYS 20 0.481 -6.885 -4.293 174 H LEU 21 H LEU 21 -6.182 -3.670 -2.942 175 HA LEU 21 HA LEU 21 -4.580 -1.385 -2.698 176 HB2 LEU 21 2HB LEU 21 -7.482 -1.568 -3.605 177 HB3 LEU 21 3HB LEU 21 -6.419 -0.199 -3.893 178 HG LEU 21 HG LEU 21 -6.043 -2.989 -5.046 179 HD11 LEU 21 1HD1 LEU 21 -7.964 -1.867 -6.033 180 HD12 LEU 21 2HD1 LEU 21 -6.654 -2.021 -7.198 181 HD13 LEU 21 3HD1 LEU 21 -6.969 -0.463 -6.428 182 HD21 LEU 21 1HD2 LEU 21 -4.275 -2.029 -6.425 183 HD22 LEU 21 2HD2 LEU 21 -3.888 -1.898 -4.712 184 HD23 LEU 21 3HD2 LEU 21 -4.446 -0.476 -5.600 185 H ALA 22 H ALA 22 -7.646 -2.261 -1.121 186 HA ALA 22 HA ALA 22 -8.052 0.201 0.282 187 HB1 ALA 22 1HB ALA 22 -9.239 -2.554 0.804 188 HB2 ALA 22 2HB ALA 22 -9.906 -1.329 -0.274 189 HB3 ALA 22 3HB ALA 22 -9.841 -1.026 1.461 190 H PHE 23 H PHE 23 -6.566 -2.909 1.153 191 HA PHE 23 HA PHE 23 -6.273 -2.437 3.942 192 HB2 PHE 23 2HB PHE 23 -6.186 -4.720 3.087 193 HB3 PHE 23 3HB PHE 23 -4.801 -4.347 2.072 194 HD1 PHE 23 HD1 PHE 23 -5.861 -4.521 5.670 195 HD2 PHE 23 HD2 PHE 23 -2.609 -4.771 2.895 196 HE1 PHE 23 HE1 PHE 23 -4.358 -5.241 7.482 197 HE2 PHE 23 HE2 PHE 23 -1.119 -5.484 4.714 198 HZ PHE 23 HZ PHE 23 -1.987 -5.718 7.009 199 H LEU 24 H LEU 24 -3.899 -2.257 1.268 200 HA LEU 24 HA LEU 24 -1.816 -1.214 2.865 201 HB2 LEU 24 2HB LEU 24 -0.545 -0.869 0.836 202 HB3 LEU 24 3HB LEU 24 -1.330 -2.427 0.803 203 HG LEU 24 HG LEU 24 -3.090 -1.289 -0.763 204 HD11 LEU 24 1HD1 LEU 24 -2.458 1.041 -0.452 205 HD12 LEU 24 2HD1 LEU 24 -2.260 0.569 -2.133 206 HD13 LEU 24 3HD1 LEU 24 -0.844 0.719 -1.091 207 HD21 LEU 24 1HD2 LEU 24 -1.737 -1.739 -2.769 208 HD22 LEU 24 2HD2 LEU 24 -1.534 -2.998 -1.555 209 HD23 LEU 24 3HD2 LEU 24 -0.272 -1.785 -1.780 210 H LYS 25 H LYS 25 -4.430 0.309 1.080 211 HA LYS 25 HA LYS 25 -3.568 2.994 1.035 212 HB2 LYS 25 2HB LYS 25 -5.463 2.309 -0.291 213 HB3 LYS 25 3HB LYS 25 -6.340 1.741 1.121 214 HG2 LYS 25 2HG LYS 25 -6.553 4.120 1.889 215 HG3 LYS 25 3HG LYS 25 -5.782 4.643 0.390 216 HD2 LYS 25 2HD LYS 25 -8.396 3.115 0.629 217 HD3 LYS 25 3HD LYS 25 -8.240 4.833 0.264 218 HE2 LYS 25 2HE LYS 25 -7.251 2.550 -1.484 219 HE3 LYS 25 3HE LYS 25 -8.702 3.519 -1.759 220 HZ1 LYS 25 1HZ LYS 25 -5.902 4.518 -1.779 221 HZ2 LYS 25 2HZ LYS 25 -7.281 5.488 -1.932 222 HZ3 LYS 25 3HZ LYS 25 -6.927 4.338 -3.113 223 H LYS 26 H LYS 26 -5.653 1.311 3.412 224 HA LYS 26 HA LYS 26 -6.104 3.616 5.018 225 HB2 LYS 26 2HB LYS 26 -7.140 2.091 6.651 226 HB3 LYS 26 3HB LYS 26 -7.692 1.725 5.023 227 HG2 LYS 26 2HG LYS 26 -6.238 -0.220 4.908 228 HG3 LYS 26 3HG LYS 26 -5.528 0.170 6.475 229 HD2 LYS 26 2HD LYS 26 -7.714 -0.238 7.570 230 HD3 LYS 26 3HD LYS 26 -8.439 -0.604 5.999 231 HE2 LYS 26 2HE LYS 26 -6.881 -2.520 5.745 232 HE3 LYS 26 3HE LYS 26 -6.196 -2.160 7.335 233 HZ1 LYS 26 1HZ LYS 26 -9.018 -2.905 6.794 234 HZ2 LYS 26 2HZ LYS 26 -8.369 -2.557 8.315 235 HZ3 LYS 26 3HZ LYS 26 -7.839 -3.918 7.462 236 H GLU 27 H GLU 27 -3.828 0.865 5.241 237 HA GLU 27 HA GLU 27 -2.740 1.679 7.755 238 HB2 GLU 27 2HB GLU 27 -1.116 -0.041 7.533 239 HB3 GLU 27 3HB GLU 27 -2.611 -0.680 6.869 240 HG2 GLU 27 2HG GLU 27 -1.802 -0.487 4.629 241 HG3 GLU 27 3HG GLU 27 -0.405 0.459 5.134 242 H TYR 28 H TYR 28 -1.889 2.303 4.357 243 HA TYR 28 HA TYR 28 0.610 3.516 4.614 244 HB2 TYR 28 2HB TYR 28 -0.240 3.004 2.410 245 HB3 TYR 28 3HB TYR 28 -1.655 4.014 2.634 246 HD1 TYR 28 HD1 TYR 28 2.070 4.150 2.168 247 HD2 TYR 28 HD2 TYR 28 -1.619 6.294 1.919 248 HE1 TYR 28 HE1 TYR 28 3.222 5.999 1.031 249 HE2 TYR 28 HE2 TYR 28 -0.467 8.140 0.782 250 HH TYR 28 HH TYR 28 1.748 9.065 0.563 251 H SER 29 H SER 29 -2.608 5.060 4.587 252 HA SER 29 HA SER 29 -1.766 7.699 4.998 253 HB2 SER 29 2HB SER 29 -4.014 7.110 4.178 254 HB3 SER 29 3HB SER 29 -4.416 6.386 5.733 255 HG SER 29 HG SER 29 -5.106 8.310 6.208 256 H ARG 30 H ARG 30 -2.819 5.221 7.311 257 HA ARG 30 HA ARG 30 -2.767 6.781 9.675 258 HB2 ARG 30 2HB ARG 30 -4.051 4.722 9.499 259 HB3 ARG 30 3HB ARG 30 -2.601 3.785 9.167 260 HG2 ARG 30 2HG ARG 30 -1.807 4.267 11.484 261 HG3 ARG 30 3HG ARG 30 -3.329 5.105 11.800 262 HD2 ARG 30 2HD ARG 30 -4.588 3.054 11.471 263 HD3 ARG 30 3HD ARG 30 -3.132 2.196 10.948 264 HE ARG 30 HE ARG 30 -3.042 3.319 13.632 265 HH11 ARG 30 1HH1 ARG 30 -3.758 0.451 11.691 266 HH12 ARG 30 2HH1 ARG 30 -3.578 -0.636 13.033 267 HH21 ARG 30 1HH2 ARG 30 -2.828 1.866 15.383 268 HH22 ARG 30 2HH2 ARG 30 -3.054 0.164 15.116 269 H THR 31 H THR 31 -0.380 4.496 8.349 270 HA THR 31 HA THR 31 1.360 4.740 10.613 271 HB THR 31 HB THR 31 0.992 2.543 9.413 272 HG1 THR 31 HG1 THR 31 3.607 3.554 9.920 273 HG21 THR 31 1HG2 THR 31 2.421 1.993 7.492 274 HG22 THR 31 2HG2 THR 31 2.998 3.657 7.415 275 HG23 THR 31 3HG2 THR 31 1.313 3.296 7.063 276 H LEU 32 H LEU 32 1.267 6.017 7.348 277 HA LEU 32 HA LEU 32 3.840 7.248 7.348 278 HB2 LEU 32 2HB LEU 32 2.468 6.907 5.310 279 HB3 LEU 32 3HB LEU 32 1.300 8.079 5.876 280 HG LEU 32 HG LEU 32 4.167 8.992 5.459 281 HD11 LEU 32 1HD1 LEU 32 3.685 7.763 3.402 282 HD12 LEU 32 2HD1 LEU 32 3.741 9.496 3.094 283 HD13 LEU 32 3HD1 LEU 32 2.184 8.667 3.184 284 HD21 LEU 32 1HD2 LEU 32 1.505 10.390 5.040 285 HD22 LEU 32 2HD2 LEU 32 3.100 11.122 4.837 286 HD23 LEU 32 3HD2 LEU 32 2.574 10.585 6.430 287 H ALA 33 H ALA 33 0.585 8.281 8.372 288 HA ALA 33 HA ALA 33 1.058 10.916 9.097 289 HB1 ALA 33 1HB ALA 33 -0.815 8.937 10.449 290 HB2 ALA 33 2HB ALA 33 -1.182 9.888 9.002 291 HB3 ALA 33 3HB ALA 33 -0.922 10.702 10.544 292 H ARG 34 H ARG 34 1.241 8.025 11.189 293 HA ARG 34 HA ARG 34 2.140 9.379 13.515 294 HB2 ARG 34 2HB ARG 34 2.439 7.168 14.505 295 HB3 ARG 34 3HB ARG 34 0.923 7.235 13.614 296 HG2 ARG 34 2HG ARG 34 2.074 6.075 11.709 297 HG3 ARG 34 3HG ARG 34 3.488 5.880 12.742 298 HD2 ARG 34 2HD ARG 34 0.723 4.748 13.268 299 HD3 ARG 34 3HD ARG 34 2.120 3.845 12.680 300 HE ARG 34 HE ARG 34 2.153 5.189 15.315 301 HH11 ARG 34 1HH1 ARG 34 2.563 2.219 13.433 302 HH12 ARG 34 2HH1 ARG 34 3.190 1.331 14.785 303 HH21 ARG 34 1HH2 ARG 34 3.002 4.013 17.036 304 HH22 ARG 34 2HH2 ARG 34 3.439 2.347 16.823 305 H LEU 35 H LEU 35 3.880 7.800 10.827 306 HA LEU 35 HA LEU 35 6.496 7.807 11.914 307 HB2 LEU 35 2HB LEU 35 5.574 6.801 9.636 308 HB3 LEU 35 3HB LEU 35 5.998 8.355 8.959 309 HG LEU 35 HG LEU 35 7.892 6.275 10.147 310 HD11 LEU 35 1HD1 LEU 35 7.164 5.742 7.900 311 HD12 LEU 35 2HD1 LEU 35 8.871 6.167 7.907 312 HD13 LEU 35 3HD1 LEU 35 7.676 7.327 7.316 313 HD21 LEU 35 1HD2 LEU 35 8.776 8.461 10.787 314 HD22 LEU 35 2HD2 LEU 35 8.702 9.007 9.111 315 HD23 LEU 35 3HD2 LEU 35 9.798 7.701 9.570 316 H GLN 36 H GLN 36 4.678 10.251 10.043 317 HA GLN 36 HA GLN 36 6.744 12.174 9.882 318 HB2 GLN 36 2HB GLN 36 3.730 12.599 9.689 319 HB3 GLN 36 3HB GLN 36 4.945 13.800 9.257 320 HG2 GLN 36 2HG GLN 36 4.416 11.155 7.887 321 HG3 GLN 36 3HG GLN 36 4.121 12.762 7.243 322 HE21 GLN 36 1HE2 GLN 36 5.687 10.561 6.129 323 HE22 GLN 36 2HE2 GLN 36 7.288 11.167 5.891 324 H ARG 37 H ARG 37 4.073 11.733 12.204 325 HA ARG 37 HA ARG 37 4.582 14.124 13.690 326 HB2 ARG 37 2HB ARG 37 3.044 11.615 14.501 327 HB3 ARG 37 3HB ARG 37 3.032 13.136 15.393 328 HG2 ARG 37 2HG ARG 37 1.981 12.680 12.586 329 HG3 ARG 37 3HG ARG 37 1.019 12.970 14.036 330 HD2 ARG 37 2HD ARG 37 1.957 15.253 14.202 331 HD3 ARG 37 3HD ARG 37 2.961 14.953 12.780 332 HE ARG 37 HE ARG 37 0.213 14.528 12.190 333 HH11 ARG 37 1HH1 ARG 37 2.555 17.138 12.671 334 HH12 ARG 37 2HH1 ARG 37 1.673 18.257 11.684 335 HH21 ARG 37 1HH2 ARG 37 -0.930 16.030 10.912 336 HH22 ARG 37 2HH2 ARG 37 -0.295 17.633 10.688 337 H ALA 38 H ALA 38 5.846 10.877 13.838 338 HA ALA 38 HA ALA 38 7.140 11.016 16.371 339 HB1 ALA 38 1HB ALA 38 8.383 9.031 15.596 340 HB2 ALA 38 2HB ALA 38 7.793 9.290 13.955 341 HB3 ALA 38 3HB ALA 38 6.662 8.878 15.244 342 H LYS 39 H LYS 39 8.312 11.547 13.023 343 HA LYS 39 HA LYS 39 10.990 12.183 13.871 344 HB2 LYS 39 2HB LYS 39 11.520 12.434 11.506 345 HB3 LYS 39 3HB LYS 39 10.605 10.959 11.784 346 HG2 LYS 39 2HG LYS 39 8.554 12.109 10.950 347 HG3 LYS 39 3HG LYS 39 9.524 13.541 10.606 348 HD2 LYS 39 2HD LYS 39 9.912 10.798 9.335 349 HD3 LYS 39 3HD LYS 39 9.127 12.179 8.572 350 HE2 LYS 39 2HE LYS 39 11.208 13.432 8.551 351 HE3 LYS 39 3HE LYS 39 12.020 12.185 9.503 352 HZ1 LYS 39 1HZ LYS 39 12.583 11.997 7.153 353 HZ2 LYS 39 2HZ LYS 39 10.950 11.831 6.747 354 HZ3 LYS 39 3HZ LYS 39 11.713 10.635 7.660 355 H ARG 40 H ARG 40 8.208 14.114 12.902 356 HA ARG 40 HA ARG 40 9.689 16.570 12.497 357 HB2 ARG 40 2HB ARG 40 6.701 15.983 12.643 358 HB3 ARG 40 3HB ARG 40 7.339 17.601 12.386 359 HG2 ARG 40 2HG ARG 40 7.845 15.247 10.534 360 HG3 ARG 40 3HG ARG 40 6.587 16.462 10.301 361 HD2 ARG 40 2HD ARG 40 9.578 16.965 10.326 362 HD3 ARG 40 3HD ARG 40 8.519 16.971 8.915 363 HE ARG 40 HE ARG 40 8.335 18.943 11.130 364 HH11 ARG 40 1HH1 ARG 40 8.069 18.212 7.679 365 HH12 ARG 40 2HH1 ARG 40 7.663 19.846 7.258 366 HH21 ARG 40 1HH2 ARG 40 7.838 21.065 10.544 367 HH22 ARG 40 2HH2 ARG 40 7.533 21.459 8.880 368 H ALA 41 H ALA 41 7.272 15.469 14.898 369 HA ALA 41 HA ALA 41 7.550 17.819 16.541 370 HB1 ALA 41 1HB ALA 41 5.396 16.648 16.353 371 HB2 ALA 41 2HB ALA 41 5.946 16.701 18.027 372 HB3 ALA 41 3HB ALA 41 6.095 15.205 17.099 373 H GLU 42 H GLU 42 8.563 14.402 16.758 374 HA GLU 42 HA GLU 42 9.780 13.173 18.222 375 HB2 GLU 42 2HB GLU 42 11.359 15.756 18.609 376 HB3 GLU 42 3HB GLU 42 11.925 14.129 18.985 377 HG2 GLU 42 2HG GLU 42 11.720 13.531 16.573 378 HG3 GLU 42 3HG GLU 42 11.253 15.192 16.226 379 H LYS 43 H LYS 43 7.462 14.549 19.146 380 HA LYS 43 HA LYS 43 7.438 15.655 21.681 381 HB2 LYS 43 2HB LYS 43 5.068 15.158 21.715 382 HB3 LYS 43 3HB LYS 43 5.504 15.569 20.067 383 HG2 LYS 43 2HG LYS 43 5.073 12.742 21.101 384 HG3 LYS 43 3HG LYS 43 3.870 13.691 20.232 385 HD2 LYS 43 2HD LYS 43 5.398 13.738 18.249 386 HD3 LYS 43 3HD LYS 43 6.539 12.725 19.136 387 HE2 LYS 43 2HE LYS 43 5.252 11.339 17.622 388 HE3 LYS 43 3HE LYS 43 4.786 10.946 19.276 389 HZ1 LYS 43 1HZ LYS 43 2.788 12.256 19.008 390 HZ2 LYS 43 2HZ LYS 43 2.888 11.124 17.750 391 HZ3 LYS 43 3HZ LYS 43 3.269 12.748 17.459 392 H ALA 44 H ALA 44 7.797 12.343 20.750 393 HA ALA 44 HA ALA 44 6.965 11.097 23.163 394 HB1 ALA 44 1HB ALA 44 7.887 9.067 22.132 395 HB2 ALA 44 2HB ALA 44 8.663 10.051 20.891 396 HB3 ALA 44 3HB ALA 44 6.907 9.986 20.990 397 H LYS 45 H LYS 45 9.930 12.649 22.217 398 HA LYS 45 HA LYS 45 11.462 11.473 24.430 399 HB2 LYS 45 2HB LYS 45 12.474 11.887 22.083 400 HB3 LYS 45 3HB LYS 45 12.482 13.594 22.504 401 HG2 LYS 45 2HG LYS 45 13.766 12.484 24.720 402 HG3 LYS 45 3HG LYS 45 14.276 11.395 23.424 403 HD2 LYS 45 2HD LYS 45 15.950 13.078 23.578 404 HD3 LYS 45 3HD LYS 45 15.020 13.451 22.127 405 HE2 LYS 45 2HE LYS 45 15.520 15.491 23.355 406 HE3 LYS 45 3HE LYS 45 13.782 15.189 23.415 407 HZ1 LYS 45 1HZ LYS 45 14.062 14.275 25.644 408 HZ2 LYS 45 2HZ LYS 45 14.665 15.855 25.575 409 HZ3 LYS 45 3HZ LYS 45 15.729 14.547 25.567 410 H ASN 46 H ASN 46 9.240 13.936 24.195 411 HA ASN 46 HA ASN 46 10.343 16.162 25.487 412 HB2 ASN 46 2HB ASN 46 8.068 16.227 24.573 413 HB3 ASN 46 3HB ASN 46 7.517 15.041 25.745 414 HD21 ASN 46 1HD2 ASN 46 8.472 18.380 25.284 415 HD22 ASN 46 2HD2 ASN 46 7.837 18.970 26.780 416 H SER 47 H SER 47 11.606 15.996 27.222 417 HA SER 47 HA SER 47 11.633 13.820 29.005 418 HB2 SER 47 2HB SER 47 13.402 15.209 30.201 419 HB3 SER 47 3HB SER 47 13.701 14.943 28.481 420 HG SER 47 HG SER 47 14.023 17.145 29.196 421 H LYS 48 H LYS 48 9.517 13.746 29.919 422 HA LYS 48 HA LYS 48 9.310 15.302 32.420 423 HB2 LYS 48 2HB LYS 48 6.969 14.540 30.600 424 HB3 LYS 48 3HB LYS 48 6.772 15.042 32.278 425 HG2 LYS 48 2HG LYS 48 7.744 17.244 31.745 426 HG3 LYS 48 3HG LYS 48 7.953 16.745 30.062 427 HD2 LYS 48 2HD LYS 48 5.481 16.458 29.869 428 HD3 LYS 48 3HD LYS 48 5.298 17.014 31.534 429 HE2 LYS 48 2HE LYS 48 6.215 19.208 30.917 430 HE3 LYS 48 3HE LYS 48 6.474 18.647 29.261 431 HZ1 LYS 48 1HZ LYS 48 3.828 18.844 30.609 432 HZ2 LYS 48 2HZ LYS 48 4.095 18.356 29.011 433 HZ3 LYS 48 3HZ LYS 48 4.437 19.943 29.474 434 H LYS 49 H LYS 49 8.722 14.075 34.196 435 HA LYS 49 HA LYS 49 9.590 11.386 34.188 436 HB2 LYS 49 2HB LYS 49 9.830 12.939 36.121 437 HB3 LYS 49 3HB LYS 49 8.084 12.906 36.357 438 HG2 LYS 49 2HG LYS 49 8.260 10.420 36.785 439 HG3 LYS 49 3HG LYS 49 10.016 10.587 36.702 440 HD2 LYS 49 2HD LYS 49 9.303 10.603 39.046 441 HD3 LYS 49 3HD LYS 49 9.940 12.192 38.614 442 HE2 LYS 49 2HE LYS 49 7.616 13.016 38.306 443 HE3 LYS 49 3HE LYS 49 7.006 11.432 38.779 444 HZ1 LYS 49 1HZ LYS 49 6.946 12.969 40.636 445 HZ2 LYS 49 2HZ LYS 49 8.607 13.252 40.508 446 HZ3 LYS 49 3HZ LYS 49 8.044 11.719 40.948 447 H ALA 50 H ALA 50 8.483 9.469 34.326 448 HA ALA 50 HA ALA 50 5.728 9.500 33.283 449 HB1 ALA 50 1HB ALA 50 6.217 7.193 32.543 450 HB2 ALA 50 2HB ALA 50 7.803 7.272 33.311 451 HB3 ALA 50 3HB ALA 50 7.436 8.322 31.940 452 H ILE 51 H ILE 51 4.063 8.263 34.243 453 HA ILE 51 HA ILE 51 4.253 7.768 37.077 454 HB ILE 51 HB ILE 51 1.864 6.924 36.881 455 HG12 ILE 51 2HG1 ILE 51 0.709 7.641 34.618 456 HG13 ILE 51 3HG1 ILE 51 2.317 7.526 33.921 457 HG21 ILE 51 1HG2 ILE 51 0.908 9.172 36.455 458 HG22 ILE 51 2HG2 ILE 51 2.430 9.687 35.728 459 HG23 ILE 51 3HG2 ILE 51 2.370 9.267 37.442 460 HD11 ILE 51 1HD1 ILE 51 0.958 5.543 33.494 461 HD12 ILE 51 2HD1 ILE 51 0.804 5.262 35.227 462 HD13 ILE 51 3HD1 ILE 51 2.385 5.140 34.451 463 H GLU 52 H GLU 52 5.033 5.953 34.396 464 HA GLU 52 HA GLU 52 4.699 3.285 35.359 465 HB2 GLU 52 2HB GLU 52 6.474 4.490 33.194 466 HB3 GLU 52 3HB GLU 52 6.305 2.759 33.466 467 HG2 GLU 52 2HG GLU 52 4.032 4.621 32.720 468 HG3 GLU 52 3HG GLU 52 4.927 3.615 31.583 469 H ASP 53 H ASP 53 6.698 1.818 35.576 470 HA ASP 53 HA ASP 53 8.398 2.583 37.706 471 HB2 ASP 53 2HB ASP 53 8.587 0.260 35.733 472 HB3 ASP 53 3HB ASP 53 9.667 0.436 37.113 473 H GLY 54 H GLY 54 10.609 3.101 37.714 474 HA2 GLY 54 2HA GLY 54 11.768 4.009 35.136 475 HA3 GLY 54 3HA GLY 54 11.715 5.043 36.558 476 H VAL 55 H VAL 55 13.110 2.080 35.225 477 HA VAL 55 HA VAL 55 15.242 2.018 37.226 478 HB VAL 55 HB VAL 55 14.370 -0.125 36.288 479 HG11 VAL 55 1HG1 VAL 55 13.806 0.580 34.016 480 HG12 VAL 55 2HG1 VAL 55 14.833 -0.856 33.998 481 HG13 VAL 55 3HG1 VAL 55 15.520 0.726 33.614 482 HG21 VAL 55 1HG2 VAL 55 16.650 -0.122 37.160 483 HG22 VAL 55 2HG2 VAL 55 17.286 0.353 35.584 484 HG23 VAL 55 3HG2 VAL 55 16.530 -1.231 35.790 485 HA PRO 56 HA PRO 56 17.632 5.026 34.767 486 HB2 PRO 56 2HB PRO 56 20.127 4.714 35.874 487 HB3 PRO 56 3HB PRO 56 18.806 5.522 36.747 488 HG2 PRO 56 2HG PRO 56 19.720 2.659 36.965 489 HG3 PRO 56 3HG PRO 56 19.397 3.836 38.264 490 HD2 PRO 56 2HD PRO 56 17.546 2.011 37.592 491 HD3 PRO 56 3HD PRO 56 17.074 3.667 38.033 492 H GLN 57 H GLN 57 20.175 4.830 33.914 493 HA GLN 57 HA GLN 57 20.192 2.872 31.816 494 HB2 GLN 57 2HB GLN 57 22.293 4.898 32.749 495 HB3 GLN 57 3HB GLN 57 22.503 3.862 31.344 496 HG2 GLN 57 2HG GLN 57 21.823 6.026 30.568 497 HG3 GLN 57 3HG GLN 57 20.483 4.915 30.308 498 HE21 GLN 57 1HE2 GLN 57 21.358 6.503 33.380 499 HE22 GLN 57 2HE2 GLN 57 19.919 7.451 33.482 500 HA PRO 58 HA PRO 58 21.963 -0.636 33.852 501 HB2 PRO 58 2HB PRO 58 23.761 -1.691 32.042 502 HB3 PRO 58 3HB PRO 58 22.004 -1.728 31.789 503 HG2 PRO 58 2HG PRO 58 23.975 0.324 30.776 504 HG3 PRO 58 3HG PRO 58 22.777 -0.615 29.834 505 HD2 PRO 58 2HD PRO 58 22.187 1.862 30.565 506 HD3 PRO 58 3HD PRO 58 20.946 0.600 30.763 507 H GLU 59 H GLU 59 24.510 1.336 32.380 508 HA GLU 59 HA GLU 59 26.505 0.660 34.397 509 HB2 GLU 59 2HB GLU 59 26.606 2.508 31.969 510 HB3 GLU 59 3HB GLU 59 27.984 2.100 32.989 511 HG2 GLU 59 2HG GLU 59 27.756 -0.280 32.328 512 HG3 GLU 59 3HG GLU 59 26.394 0.156 31.295 513 H ALA 60 H ALA 60 23.926 2.564 34.539 514 HA ALA 60 HA ALA 60 23.206 4.371 35.714 515 HB1 ALA 60 1HB ALA 60 24.381 3.279 37.607 516 HB2 ALA 60 2HB ALA 60 24.397 5.035 37.749 517 HB3 ALA 60 3HB ALA 60 25.848 4.180 37.220 518 H LEU 61 H LEU 61 24.133 4.909 33.276 519 HA LEU 61 HA LEU 61 26.046 7.002 33.077 520 HB2 LEU 61 2HB LEU 61 25.217 5.254 31.274 521 HB3 LEU 61 3HB LEU 61 23.938 6.407 30.965 522 HG LEU 61 HG LEU 61 26.925 6.907 30.603 523 HD11 LEU 61 1HD1 LEU 61 24.765 6.490 28.518 524 HD12 LEU 61 2HD1 LEU 61 26.072 5.376 28.931 525 HD13 LEU 61 3HD1 LEU 61 26.447 6.930 28.195 526 HD21 LEU 61 1HD2 LEU 61 26.304 9.015 29.486 527 HD22 LEU 61 2HD2 LEU 61 25.856 9.007 31.189 528 HD23 LEU 61 3HD2 LEU 61 24.618 8.767 29.954 529 H GLU 62 H GLU 62 25.357 8.476 34.565 530 HA GLU 62 HA GLU 62 22.787 9.794 34.496 531 HB2 GLU 62 2HB GLU 62 25.305 10.537 36.043 532 HB3 GLU 62 3HB GLU 62 23.689 11.167 36.342 533 HG2 GLU 62 2HG GLU 62 24.626 8.312 36.739 534 HG3 GLU 62 3HG GLU 62 24.259 9.478 38.002 535 H1 MET 1 1H MET 1 16.493 13.187 38.294 536 H2 MET 1 2H MET 1 14.984 13.297 37.545 537 H3 MET 1 3H MET 1 15.790 14.701 38.026 538 HA MET 1 HA MET 1 15.907 14.370 35.652 539 HB2 MET 1 2HB MET 1 18.399 14.622 35.439 540 HB3 MET 1 3HB MET 1 17.685 15.638 36.680 541 HG2 MET 1 2HG MET 1 19.146 13.042 37.233 542 HG3 MET 1 3HG MET 1 19.848 14.657 37.357 543 HE1 MET 1 1HE MET 1 19.422 13.504 41.133 544 HE2 MET 1 2HE MET 1 20.584 14.008 39.903 545 HE3 MET 1 3HE MET 1 19.781 12.441 39.775 546 H GLU 2 H GLU 2 14.806 12.028 36.006 547 HA GLU 2 HA GLU 2 16.464 10.055 34.558 548 HB2 GLU 2 2HB GLU 2 16.523 9.522 37.024 549 HB3 GLU 2 3HB GLU 2 14.769 9.382 37.022 550 HG2 GLU 2 2HG GLU 2 15.055 7.492 35.320 551 HG3 GLU 2 3HG GLU 2 16.788 7.564 35.650 552 H GLU 3 H GLU 3 14.816 11.686 33.313 553 HA GLU 3 HA GLU 3 12.082 10.760 33.170 554 HB2 GLU 3 2HB GLU 3 13.646 12.906 31.697 555 HB3 GLU 3 3HB GLU 3 12.017 12.462 31.195 556 HG2 GLU 3 2HG GLU 3 12.041 14.457 32.644 557 HG3 GLU 3 3HG GLU 3 11.105 13.136 33.328 558 H LEU 4 H LEU 4 12.371 8.603 32.617 559 HA LEU 4 HA LEU 4 13.566 7.756 30.149 560 HB2 LEU 4 2HB LEU 4 11.494 6.287 31.825 561 HB3 LEU 4 3HB LEU 4 12.534 5.583 30.594 562 HG LEU 4 HG LEU 4 13.352 6.611 33.334 563 HD11 LEU 4 1HD1 LEU 4 13.943 4.319 33.774 564 HD12 LEU 4 2HD1 LEU 4 13.514 3.839 32.132 565 HD13 LEU 4 3HD1 LEU 4 12.265 4.404 33.250 566 HD21 LEU 4 1HD2 LEU 4 15.123 7.251 31.787 567 HD22 LEU 4 2HD2 LEU 4 15.185 5.617 31.123 568 HD23 LEU 4 3HD2 LEU 4 15.659 5.910 32.798 569 H SER 5 H SER 5 12.697 9.057 28.590 570 HA SER 5 HA SER 5 9.852 9.306 28.129 571 HB2 SER 5 2HB SER 5 12.228 10.143 26.415 572 HB3 SER 5 3HB SER 5 10.555 10.664 26.197 573 HG SER 5 HG SER 5 11.523 11.083 28.740 574 H GLY 6 H GLY 6 8.664 7.964 26.892 575 HA2 GLY 6 2HA GLY 6 9.725 5.644 25.589 576 HA3 GLY 6 3HA GLY 6 8.059 6.214 25.545 577 H LYS 7 H LYS 7 11.254 6.738 24.240 578 HA LYS 7 HA LYS 7 10.857 8.844 22.504 579 HB2 LYS 7 2HB LYS 7 13.023 8.336 21.578 580 HB3 LYS 7 3HB LYS 7 13.080 7.956 23.287 581 HG2 LYS 7 2HG LYS 7 12.765 5.891 21.076 582 HG3 LYS 7 3HG LYS 7 14.297 6.331 21.827 583 HD2 LYS 7 2HD LYS 7 13.447 5.521 24.014 584 HD3 LYS 7 3HD LYS 7 11.924 5.063 23.249 585 HE2 LYS 7 2HE LYS 7 13.341 3.093 23.517 586 HE3 LYS 7 3HE LYS 7 13.172 3.456 21.799 587 HZ1 LYS 7 1HZ LYS 7 15.466 2.894 22.463 588 HZ2 LYS 7 2HZ LYS 7 15.510 4.258 23.462 589 HZ3 LYS 7 3HZ LYS 7 15.352 4.437 21.788 590 HA PRO 8 HA PRO 8 8.731 7.634 18.790 591 HB2 PRO 8 2HB PRO 8 11.103 8.526 17.132 592 HB3 PRO 8 3HB PRO 8 9.397 9.007 17.017 593 HG2 PRO 8 2HG PRO 8 11.122 10.677 18.083 594 HG3 PRO 8 3HG PRO 8 9.528 10.463 18.846 595 HD2 PRO 8 2HD PRO 8 12.189 9.303 19.683 596 HD3 PRO 8 3HD PRO 8 10.907 10.017 20.688 597 H LEU 9 H LEU 9 9.322 6.621 16.374 598 HA LEU 9 HA LEU 9 9.920 3.898 16.891 599 HB2 LEU 9 2HB LEU 9 9.905 3.719 14.287 600 HB3 LEU 9 3HB LEU 9 8.429 4.091 15.143 601 HG LEU 9 HG LEU 9 8.715 6.521 14.504 602 HD11 LEU 9 1HD1 LEU 9 10.960 5.543 12.721 603 HD12 LEU 9 2HD1 LEU 9 11.111 6.639 14.097 604 HD13 LEU 9 3HD1 LEU 9 10.213 7.145 12.668 605 HD21 LEU 9 1HD2 LEU 9 7.955 6.236 12.193 606 HD22 LEU 9 2HD2 LEU 9 7.215 5.045 13.256 607 HD23 LEU 9 3HD2 LEU 9 8.540 4.568 12.189 608 H SER 10 H SER 10 11.676 2.621 16.433 609 HA SER 10 HA SER 10 14.284 3.762 16.663 610 HB2 SER 10 2HB SER 10 13.463 0.882 16.075 611 HB3 SER 10 3HB SER 10 15.040 1.403 16.669 612 HG SER 10 HG SER 10 13.533 0.591 18.288 613 H TYR 11 H TYR 11 16.104 2.714 15.167 614 HA TYR 11 HA TYR 11 15.891 3.842 12.601 615 HB2 TYR 11 2HB TYR 11 18.074 3.515 13.684 616 HB3 TYR 11 3HB TYR 11 17.883 1.766 13.619 617 HD1 TYR 11 HD1 TYR 11 17.808 4.713 11.261 618 HD2 TYR 11 HD2 TYR 11 19.049 0.669 11.875 619 HE1 TYR 11 HE1 TYR 11 18.906 4.723 9.068 620 HE2 TYR 11 HE2 TYR 11 20.152 0.678 9.670 621 HH TYR 11 HH TYR 11 20.040 1.935 7.531 622 H ALA 12 H ALA 12 15.738 0.430 13.663 623 HA ALA 12 HA ALA 12 15.355 -0.775 11.147 624 HB1 ALA 12 1HB ALA 12 16.034 -2.029 13.147 625 HB2 ALA 12 2HB ALA 12 14.600 -2.745 12.407 626 HB3 ALA 12 3HB ALA 12 14.446 -1.765 13.868 627 H GLU 13 H GLU 13 13.067 0.561 13.497 628 HA GLU 13 HA GLU 13 10.664 -0.365 12.300 629 HB2 GLU 13 2HB GLU 13 11.046 2.092 14.064 630 HB3 GLU 13 3HB GLU 13 9.529 1.251 13.765 631 HG2 GLU 13 2HG GLU 13 11.921 0.198 15.292 632 HG3 GLU 13 3HG GLU 13 10.373 0.691 15.969 633 H LYS 14 H LYS 14 12.475 2.650 12.072 634 HA LYS 14 HA LYS 14 10.782 4.183 10.445 635 HB2 LYS 14 2HB LYS 14 12.617 5.156 11.720 636 HB3 LYS 14 3HB LYS 14 13.799 4.206 10.830 637 HG2 LYS 14 2HG LYS 14 13.095 5.478 8.737 638 HG3 LYS 14 3HG LYS 14 12.139 6.527 9.790 639 HD2 LYS 14 2HD LYS 14 15.156 6.125 9.868 640 HD3 LYS 14 3HD LYS 14 14.295 7.575 9.339 641 HE2 LYS 14 2HE LYS 14 13.375 7.803 11.668 642 HE3 LYS 14 3HE LYS 14 14.383 6.444 12.158 643 HZ1 LYS 14 1HZ LYS 14 16.337 7.690 11.624 644 HZ2 LYS 14 2HZ LYS 14 15.371 8.614 12.658 645 HZ3 LYS 14 3HZ LYS 14 15.421 8.969 11.009 646 H GLU 15 H GLU 15 13.697 2.282 9.601 647 HA GLU 15 HA GLU 15 13.653 2.806 6.839 648 HB2 GLU 15 2HB GLU 15 15.329 1.053 6.581 649 HB3 GLU 15 3HB GLU 15 15.688 2.018 8.010 650 HG2 GLU 15 2HG GLU 15 14.965 0.279 9.484 651 HG3 GLU 15 3HG GLU 15 14.239 -0.637 8.167 652 H LYS 16 H LYS 16 12.288 0.058 8.696 653 HA LYS 16 HA LYS 16 11.382 -1.352 6.391 654 HB2 LYS 16 2HB LYS 16 10.318 -2.896 7.820 655 HB3 LYS 16 3HB LYS 16 11.739 -2.373 8.709 656 HG2 LYS 16 2HG LYS 16 10.336 -0.899 10.109 657 HG3 LYS 16 3HG LYS 16 8.912 -1.371 9.187 658 HD2 LYS 16 2HD LYS 16 8.753 -2.688 11.118 659 HD3 LYS 16 3HD LYS 16 9.460 -3.797 9.946 660 HE2 LYS 16 2HE LYS 16 10.989 -2.269 12.083 661 HE3 LYS 16 3HE LYS 16 10.514 -3.960 12.182 662 HZ1 LYS 16 1HZ LYS 16 12.439 -2.769 10.263 663 HZ2 LYS 16 2HZ LYS 16 11.902 -4.368 10.204 664 HZ3 LYS 16 3HZ LYS 16 12.786 -3.830 11.536 665 H LEU 17 H LEU 17 10.050 1.229 8.332 666 HA LEU 17 HA LEU 17 7.361 1.010 7.387 667 HB2 LEU 17 2HB LEU 17 8.472 2.291 9.507 668 HB3 LEU 17 3HB LEU 17 8.372 3.655 8.416 669 HG LEU 17 HG LEU 17 6.426 3.531 9.945 670 HD11 LEU 17 1HD1 LEU 17 4.629 3.799 8.341 671 HD12 LEU 17 2HD1 LEU 17 5.577 2.994 7.083 672 HD13 LEU 17 3HD1 LEU 17 6.099 4.553 7.727 673 HD21 LEU 17 1HD2 LEU 17 6.384 1.077 10.241 674 HD22 LEU 17 2HD2 LEU 17 5.762 0.887 8.596 675 HD23 LEU 17 3HD2 LEU 17 4.796 1.719 9.821 676 H LYS 18 H LYS 18 10.123 3.129 6.440 677 HA LYS 18 HA LYS 18 8.591 4.586 4.515 678 HB2 LYS 18 2HB LYS 18 10.768 5.578 3.790 679 HB3 LYS 18 3HB LYS 18 10.472 5.708 5.509 680 HG2 LYS 18 2HG LYS 18 12.741 5.220 5.397 681 HG3 LYS 18 3HG LYS 18 12.020 3.654 5.755 682 HD2 LYS 18 2HD LYS 18 12.238 3.021 3.363 683 HD3 LYS 18 3HD LYS 18 12.933 4.603 3.007 684 HE2 LYS 18 2HE LYS 18 14.887 4.108 4.350 685 HE3 LYS 18 3HE LYS 18 14.165 2.600 4.922 686 HZ1 LYS 18 1HZ LYS 18 15.782 2.217 3.161 687 HZ2 LYS 18 2HZ LYS 18 14.897 3.186 2.100 688 HZ3 LYS 18 3HZ LYS 18 14.236 1.737 2.671 689 H GLU 19 H GLU 19 10.607 1.666 4.350 690 HA GLU 19 HA GLU 19 10.500 1.474 1.466 691 HB2 GLU 19 2HB GLU 19 11.598 -0.631 1.658 692 HB3 GLU 19 3HB GLU 19 12.285 0.377 2.926 693 HG2 GLU 19 2HG GLU 19 10.860 -0.733 4.595 694 HG3 GLU 19 3HG GLU 19 10.142 -1.726 3.332 695 H LYS 20 H LYS 20 8.530 0.322 4.174 696 HA LYS 20 HA LYS 20 6.684 -1.277 2.815 697 HB2 LYS 20 2HB LYS 20 6.309 -1.401 5.093 698 HB3 LYS 20 3HB LYS 20 6.621 0.303 5.362 699 HG2 LYS 20 2HG LYS 20 4.397 0.926 4.729 700 HG3 LYS 20 3HG LYS 20 4.067 -0.664 4.035 701 HD2 LYS 20 2HD LYS 20 4.534 -0.144 6.998 702 HD3 LYS 20 3HD LYS 20 2.943 -0.269 6.241 703 HE2 LYS 20 2HE LYS 20 3.583 -2.599 5.481 704 HE3 LYS 20 3HE LYS 20 5.047 -2.445 6.457 705 HZ1 LYS 20 1HZ LYS 20 3.618 -2.106 8.416 706 HZ2 LYS 20 2HZ LYS 20 3.358 -3.608 7.686 707 HZ3 LYS 20 3HZ LYS 20 2.246 -2.355 7.455 708 H LEU 21 H LEU 21 6.641 2.234 3.416 709 HA LEU 21 HA LEU 21 4.191 2.837 2.193 710 HB2 LEU 21 2HB LEU 21 6.626 4.644 2.520 711 HB3 LEU 21 3HB LEU 21 4.997 5.196 2.156 712 HG LEU 21 HG LEU 21 5.849 3.832 4.737 713 HD11 LEU 21 1HD1 LEU 21 6.806 6.063 4.562 714 HD12 LEU 21 2HD1 LEU 21 5.566 6.004 5.810 715 HD13 LEU 21 3HD1 LEU 21 5.207 6.749 4.248 716 HD21 LEU 21 1HD2 LEU 21 3.643 4.411 5.602 717 HD22 LEU 21 2HD2 LEU 21 3.520 3.332 4.216 718 HD23 LEU 21 3HD2 LEU 21 3.170 5.052 4.025 719 H ALA 22 H ALA 22 7.508 2.830 0.907 720 HA ALA 22 HA ALA 22 6.897 3.851 -1.692 721 HB1 ALA 22 1HB ALA 22 9.331 2.290 -0.729 722 HB2 ALA 22 2HB ALA 22 9.140 4.042 -0.683 723 HB3 ALA 22 3HB ALA 22 9.224 3.211 -2.235 724 H PHE 23 H PHE 23 7.267 0.565 -0.373 725 HA PHE 23 HA PHE 23 7.225 -0.860 -2.829 726 HB2 PHE 23 2HB PHE 23 8.111 -1.932 -0.825 727 HB3 PHE 23 3HB PHE 23 6.575 -1.765 0.011 728 HD1 PHE 23 HD1 PHE 23 8.149 -3.436 -2.959 729 HD2 PHE 23 HD2 PHE 23 5.021 -3.567 -0.040 730 HE1 PHE 23 HE1 PHE 23 7.492 -5.673 -3.749 731 HE2 PHE 23 HE2 PHE 23 4.370 -5.798 -0.841 732 HZ PHE 23 HZ PHE 23 5.602 -6.852 -2.697 733 H LEU 24 H LEU 24 4.664 -0.330 -0.386 734 HA LEU 24 HA LEU 24 2.629 -1.563 -1.910 735 HB2 LEU 24 2HB LEU 24 1.035 -0.781 -0.264 736 HB3 LEU 24 3HB LEU 24 2.455 -1.431 0.519 737 HG LEU 24 HG LEU 24 3.176 1.063 0.838 738 HD11 LEU 24 1HD1 LEU 24 1.561 2.138 -0.632 739 HD12 LEU 24 2HD1 LEU 24 1.349 2.689 1.022 740 HD13 LEU 24 3HD1 LEU 24 0.222 1.520 0.337 741 HD21 LEU 24 1HD2 LEU 24 1.906 1.258 2.937 742 HD22 LEU 24 2HD2 LEU 24 2.532 -0.371 2.707 743 HD23 LEU 24 3HD2 LEU 24 0.823 -0.038 2.413 744 H LYS 25 H LYS 25 3.851 1.725 -1.790 745 HA LYS 25 HA LYS 25 1.800 3.121 -3.133 746 HB2 LYS 25 2HB LYS 25 3.555 4.332 -2.003 747 HB3 LYS 25 3HB LYS 25 4.810 3.563 -2.966 748 HG2 LYS 25 2HG LYS 25 3.950 4.802 -4.973 749 HG3 LYS 25 3HG LYS 25 2.806 5.641 -3.926 750 HD2 LYS 25 2HD LYS 25 5.836 5.743 -3.736 751 HD3 LYS 25 3HD LYS 25 4.799 7.021 -4.368 752 HE2 LYS 25 2HE LYS 25 4.815 6.013 -1.500 753 HE3 LYS 25 3HE LYS 25 5.553 7.511 -2.075 754 HZ1 LYS 25 1HZ LYS 25 2.650 6.871 -2.143 755 HZ2 LYS 25 2HZ LYS 25 3.353 8.277 -2.758 756 HZ3 LYS 25 3HZ LYS 25 3.415 7.961 -1.103 757 H LYS 26 H LYS 26 4.793 1.645 -4.448 758 HA LYS 26 HA LYS 26 4.319 2.453 -7.132 759 HB2 LYS 26 2HB LYS 26 6.209 1.003 -7.740 760 HB3 LYS 26 3HB LYS 26 6.598 1.970 -6.324 761 HG2 LYS 26 2HG LYS 26 6.266 0.051 -4.860 762 HG3 LYS 26 3HG LYS 26 5.724 -0.933 -6.222 763 HD2 LYS 26 2HD LYS 26 7.981 -0.781 -7.236 764 HD3 LYS 26 3HD LYS 26 8.522 0.225 -5.885 765 HE2 LYS 26 2HE LYS 26 8.066 -1.650 -4.329 766 HE3 LYS 26 3HE LYS 26 7.561 -2.648 -5.696 767 HZ1 LYS 26 1HZ LYS 26 10.265 -1.471 -5.343 768 HZ2 LYS 26 2HZ LYS 26 9.776 -2.467 -6.615 769 HZ3 LYS 26 3HZ LYS 26 9.855 -3.083 -5.041 770 H GLU 27 H GLU 27 3.748 -0.600 -5.357 771 HA GLU 27 HA GLU 27 2.798 -2.016 -7.643 772 HB2 GLU 27 2HB GLU 27 2.166 -3.801 -6.198 773 HB3 GLU 27 3HB GLU 27 3.671 -3.151 -5.566 774 HG2 GLU 27 2HG GLU 27 2.542 -2.085 -3.746 775 HG3 GLU 27 3HG GLU 27 0.956 -2.428 -4.432 776 H TYR 28 H TYR 28 1.225 -0.050 -5.126 777 HA TYR 28 HA TYR 28 -1.472 -0.580 -5.608 778 HB2 TYR 28 2HB TYR 28 -0.847 0.737 -3.684 779 HB3 TYR 28 3HB TYR 28 -0.078 1.964 -4.674 780 HD1 TYR 28 HD1 TYR 28 -3.422 0.524 -3.756 781 HD2 TYR 28 HD2 TYR 28 -1.329 3.869 -5.387 782 HE1 TYR 28 HE1 TYR 28 -5.491 1.843 -3.704 783 HE2 TYR 28 HE2 TYR 28 -3.396 5.189 -5.331 784 HH TYR 28 HH TYR 28 -5.796 4.821 -5.320 785 H SER 29 H SER 29 0.567 1.997 -7.027 786 HA SER 29 HA SER 29 -1.394 3.106 -8.706 787 HB2 SER 29 2HB SER 29 0.700 4.281 -8.111 788 HB3 SER 29 3HB SER 29 1.638 3.124 -9.055 789 HG SER 29 HG SER 29 1.312 4.487 -10.627 790 H ARG 30 H ARG 30 1.105 0.666 -9.335 791 HA ARG 30 HA ARG 30 0.680 0.322 -12.113 792 HB2 ARG 30 2HB ARG 30 2.757 -0.328 -11.028 793 HB3 ARG 30 3HB ARG 30 1.914 -1.447 -9.964 794 HG2 ARG 30 2HG ARG 30 1.351 -2.848 -11.952 795 HG3 ARG 30 3HG ARG 30 2.306 -1.753 -12.956 796 HD2 ARG 30 2HD ARG 30 4.331 -2.325 -11.745 797 HD3 ARG 30 3HD ARG 30 3.409 -3.275 -10.572 798 HE ARG 30 HE ARG 30 3.174 -4.142 -13.335 799 HH11 ARG 30 1HH1 ARG 30 4.917 -4.541 -10.297 800 HH12 ARG 30 2HH1 ARG 30 5.493 -6.128 -10.709 801 HH21 ARG 30 1HH2 ARG 30 3.955 -6.222 -13.867 802 HH22 ARG 30 2HH2 ARG 30 4.952 -7.074 -12.725 803 H THR 31 H THR 31 -0.491 -1.579 -9.335 804 HA THR 31 HA THR 31 -1.748 -3.547 -10.997 805 HB THR 31 HB THR 31 -0.557 -4.150 -8.850 806 HG1 THR 31 HG1 THR 31 -3.206 -5.016 -9.423 807 HG21 THR 31 1HG2 THR 31 -1.826 -4.109 -6.745 808 HG22 THR 31 2HG2 THR 31 -3.134 -3.222 -7.526 809 HG23 THR 31 3HG2 THR 31 -1.562 -2.462 -7.320 810 H LEU 32 H LEU 32 -2.816 -0.792 -9.103 811 HA LEU 32 HA LEU 32 -5.621 -1.216 -9.375 812 HB2 LEU 32 2HB LEU 32 -4.621 0.387 -7.774 813 HB3 LEU 32 3HB LEU 32 -4.087 1.405 -9.093 814 HG LEU 32 HG LEU 32 -7.065 0.863 -8.809 815 HD11 LEU 32 1HD1 LEU 32 -6.403 1.445 -6.526 816 HD12 LEU 32 2HD1 LEU 32 -7.340 2.745 -7.253 817 HD13 LEU 32 3HD1 LEU 32 -5.587 2.898 -7.105 818 HD21 LEU 32 1HD2 LEU 32 -5.521 3.327 -9.700 819 HD22 LEU 32 2HD2 LEU 32 -7.278 3.157 -9.696 820 HD23 LEU 32 3HD2 LEU 32 -6.298 2.151 -10.759 821 H ALA 33 H ALA 33 -3.163 0.435 -11.347 822 HA ALA 33 HA ALA 33 -4.721 1.544 -13.362 823 HB1 ALA 33 1HB ALA 33 -1.942 0.329 -13.620 824 HB2 ALA 33 2HB ALA 33 -2.307 1.971 -13.074 825 HB3 ALA 33 3HB ALA 33 -2.675 1.495 -14.732 826 H ARG 34 H ARG 34 -3.148 -1.670 -13.337 827 HA ARG 34 HA ARG 34 -4.204 -2.548 -15.825 828 HB2 ARG 34 2HB ARG 34 -3.235 -4.727 -15.305 829 HB3 ARG 34 3HB ARG 34 -2.101 -3.447 -14.885 830 HG2 ARG 34 2HG ARG 34 -2.856 -3.674 -12.495 831 HG3 ARG 34 3HG ARG 34 -3.801 -5.078 -12.982 832 HD2 ARG 34 2HD ARG 34 -0.788 -4.797 -13.216 833 HD3 ARG 34 3HD ARG 34 -1.647 -5.713 -11.973 834 HE ARG 34 HE ARG 34 -1.888 -6.392 -14.839 835 HH11 ARG 34 1HH1 ARG 34 -1.138 -7.420 -11.550 836 HH12 ARG 34 2HH1 ARG 34 -1.017 -9.091 -11.981 837 HH21 ARG 34 1HH2 ARG 34 -1.778 -8.587 -15.367 838 HH22 ARG 34 2HH2 ARG 34 -1.382 -9.758 -14.150 839 H LEU 35 H LEU 35 -5.364 -2.881 -12.469 840 HA LEU 35 HA LEU 35 -7.455 -4.742 -12.895 841 HB2 LEU 35 2HB LEU 35 -6.525 -3.674 -10.648 842 HB3 LEU 35 3HB LEU 35 -7.747 -2.452 -10.909 843 HG LEU 35 HG LEU 35 -8.193 -5.427 -10.371 844 HD11 LEU 35 1HD1 LEU 35 -7.656 -4.158 -8.377 845 HD12 LEU 35 2HD1 LEU 35 -9.331 -4.691 -8.331 846 HD13 LEU 35 3HD1 LEU 35 -8.950 -3.008 -8.714 847 HD21 LEU 35 1HD2 LEU 35 -9.907 -4.744 -11.969 848 HD22 LEU 35 2HD2 LEU 35 -10.361 -3.386 -10.939 849 HD23 LEU 35 3HD2 LEU 35 -10.614 -5.044 -10.382 850 H GLN 36 H GLN 36 -7.355 -1.165 -13.104 851 HA GLN 36 HA GLN 36 -10.097 -0.787 -13.703 852 HB2 GLN 36 2HB GLN 36 -7.747 1.058 -14.322 853 HB3 GLN 36 3HB GLN 36 -9.443 1.512 -14.451 854 HG2 GLN 36 2HG GLN 36 -7.911 0.826 -11.934 855 HG3 GLN 36 3HG GLN 36 -8.561 2.393 -12.393 856 HE21 GLN 36 1HE2 GLN 36 -8.986 0.793 -9.969 857 HE22 GLN 36 2HE2 GLN 36 -10.693 0.562 -9.836 858 H ARG 37 H ARG 37 -7.217 -1.128 -15.777 859 HA ARG 37 HA ARG 37 -8.571 -0.629 -18.241 860 HB2 ARG 37 2HB ARG 37 -5.918 -2.044 -17.724 861 HB3 ARG 37 3HB ARG 37 -6.498 -1.547 -19.310 862 HG2 ARG 37 2HG ARG 37 -5.780 0.275 -16.996 863 HG3 ARG 37 3HG ARG 37 -4.877 0.070 -18.496 864 HD2 ARG 37 2HD ARG 37 -6.738 1.071 -19.766 865 HD3 ARG 37 3HD ARG 37 -7.688 1.215 -18.285 866 HE ARG 37 HE ARG 37 -5.200 2.555 -18.025 867 HH11 ARG 37 1HH1 ARG 37 -8.389 2.944 -19.505 868 HH12 ARG 37 2HH1 ARG 37 -8.304 4.680 -19.491 869 HH21 ARG 37 1HH2 ARG 37 -5.114 4.824 -18.029 870 HH22 ARG 37 2HH2 ARG 37 -6.450 5.738 -18.654 871 H ALA 38 H ALA 38 -8.053 -3.505 -16.317 872 HA ALA 38 HA ALA 38 -8.849 -5.471 -18.213 873 HB1 ALA 38 1HB ALA 38 -9.103 -6.954 -16.256 874 HB2 ALA 38 2HB ALA 38 -8.977 -5.561 -15.178 875 HB3 ALA 38 3HB ALA 38 -7.599 -6.036 -16.168 876 H LYS 39 H LYS 39 -10.651 -3.755 -15.633 877 HA LYS 39 HA LYS 39 -13.134 -5.103 -16.218 878 HB2 LYS 39 2HB LYS 39 -14.079 -3.837 -14.361 879 HB3 LYS 39 3HB LYS 39 -12.534 -4.537 -13.910 880 HG2 LYS 39 2HG LYS 39 -11.464 -2.308 -14.219 881 HG3 LYS 39 3HG LYS 39 -13.046 -1.619 -14.584 882 HD2 LYS 39 2HD LYS 39 -12.254 -2.938 -11.947 883 HD3 LYS 39 3HD LYS 39 -12.375 -1.201 -12.227 884 HE2 LYS 39 2HE LYS 39 -14.780 -1.381 -12.600 885 HE3 LYS 39 3HE LYS 39 -14.700 -3.142 -12.478 886 HZ1 LYS 39 1HZ LYS 39 -15.481 -2.140 -10.408 887 HZ2 LYS 39 2HZ LYS 39 -14.064 -1.234 -10.280 888 HZ3 LYS 39 3HZ LYS 39 -13.999 -2.917 -10.166 889 H ARG 40 H ARG 40 -11.811 -1.930 -16.996 890 HA ARG 40 HA ARG 40 -14.318 -0.754 -17.827 891 HB2 ARG 40 2HB ARG 40 -11.434 0.188 -18.130 892 HB3 ARG 40 3HB ARG 40 -12.804 1.115 -18.731 893 HG2 ARG 40 2HG ARG 40 -12.373 0.368 -15.819 894 HG3 ARG 40 3HG ARG 40 -11.934 1.918 -16.541 895 HD2 ARG 40 2HD ARG 40 -14.736 0.776 -16.313 896 HD3 ARG 40 3HD ARG 40 -14.058 2.101 -15.364 897 HE ARG 40 HE ARG 40 -14.547 2.216 -18.285 898 HH11 ARG 40 1HH1 ARG 40 -14.494 3.858 -15.149 899 HH12 ARG 40 2HH1 ARG 40 -15.016 5.373 -15.813 900 HH21 ARG 40 1HH2 ARG 40 -15.214 4.211 -19.127 901 HH22 ARG 40 2HH2 ARG 40 -15.422 5.571 -18.067 902 H ALA 41 H ALA 41 -11.335 -1.735 -19.548 903 HA ALA 41 HA ALA 41 -12.461 -1.262 -22.156 904 HB1 ALA 41 1HB ALA 41 -10.073 -0.907 -21.720 905 HB2 ALA 41 2HB ALA 41 -10.311 -2.101 -22.993 906 HB3 ALA 41 3HB ALA 41 -9.856 -2.625 -21.368 907 H GLU 42 H GLU 42 -11.680 -4.127 -20.172 908 HA GLU 42 HA GLU 42 -11.914 -6.370 -20.402 909 HB2 GLU 42 2HB GLU 42 -14.445 -5.646 -21.950 910 HB3 GLU 42 3HB GLU 42 -14.089 -7.219 -21.237 911 HG2 GLU 42 2HG GLU 42 -14.048 -6.167 -18.983 912 HG3 GLU 42 3HG GLU 42 -14.466 -4.622 -19.716 913 H LYS 43 H LYS 43 -10.387 -4.928 -22.280 914 HA LYS 43 HA LYS 43 -10.458 -5.667 -24.954 915 HB2 LYS 43 2HB LYS 43 -8.189 -4.827 -25.091 916 HB3 LYS 43 3HB LYS 43 -9.058 -3.821 -23.948 917 HG2 LYS 43 2HG LYS 43 -7.118 -6.032 -23.188 918 HG3 LYS 43 3HG LYS 43 -6.713 -4.320 -23.264 919 HD2 LYS 43 2HD LYS 43 -8.340 -3.861 -21.445 920 HD3 LYS 43 3HD LYS 43 -8.750 -5.578 -21.381 921 HE2 LYS 43 2HE LYS 43 -7.204 -4.967 -19.577 922 HE3 LYS 43 3HE LYS 43 -6.440 -6.106 -20.686 923 HZ1 LYS 43 1HZ LYS 43 -5.263 -4.250 -21.714 924 HZ2 LYS 43 2HZ LYS 43 -4.942 -4.303 -20.055 925 HZ3 LYS 43 3HZ LYS 43 -6.021 -3.160 -20.667 926 H ALA 44 H ALA 44 -9.271 -7.419 -22.204 927 HA ALA 44 HA ALA 44 -7.612 -9.280 -23.602 928 HB1 ALA 44 1HB ALA 44 -7.450 -10.364 -21.393 929 HB2 ALA 44 2HB ALA 44 -8.741 -9.319 -20.792 930 HB3 ALA 44 3HB ALA 44 -7.200 -8.621 -21.289 931 H LYS 45 H LYS 45 -10.986 -9.209 -22.559 932 HA LYS 45 HA LYS 45 -11.489 -11.976 -23.415 933 HB2 LYS 45 2HB LYS 45 -12.438 -11.044 -21.243 934 HB3 LYS 45 3HB LYS 45 -13.470 -10.004 -22.214 935 HG2 LYS 45 2HG LYS 45 -14.129 -12.391 -23.329 936 HG3 LYS 45 3HG LYS 45 -13.630 -12.967 -21.737 937 HD2 LYS 45 2HD LYS 45 -16.044 -12.574 -21.796 938 HD3 LYS 45 3HD LYS 45 -15.266 -11.456 -20.675 939 HE2 LYS 45 2HE LYS 45 -16.968 -10.278 -21.971 940 HE3 LYS 45 3HE LYS 45 -15.375 -9.676 -22.433 941 HZ1 LYS 45 1HZ LYS 45 -15.486 -11.169 -24.383 942 HZ2 LYS 45 2HZ LYS 45 -16.726 -10.022 -24.378 943 HZ3 LYS 45 3HZ LYS 45 -17.051 -11.619 -23.933 944 H ASN 46 H ASN 46 -11.144 -9.237 -25.060 945 HA ASN 46 HA ASN 46 -13.255 -8.949 -26.851 946 HB2 ASN 46 2HB ASN 46 -11.159 -7.587 -26.884 947 HB3 ASN 46 3HB ASN 46 -10.286 -8.971 -27.520 948 HD21 ASN 46 1HD2 ASN 46 -10.525 -6.372 -28.719 949 HD22 ASN 46 2HD2 ASN 46 -11.284 -6.565 -30.250 950 H SER 47 H SER 47 -14.356 -10.722 -27.503 951 HA SER 47 HA SER 47 -13.341 -13.309 -27.790 952 HB2 SER 47 2HB SER 47 -15.688 -13.809 -28.699 953 HB3 SER 47 3HB SER 47 -15.627 -13.040 -27.115 954 HG SER 47 HG SER 47 -16.554 -12.049 -29.542 955 H LYS 48 H LYS 48 -11.677 -13.307 -29.209 956 HA LYS 48 HA LYS 48 -12.357 -13.549 -32.061 957 HB2 LYS 48 2HB LYS 48 -9.972 -11.980 -30.948 958 HB3 LYS 48 3HB LYS 48 -10.089 -12.507 -32.625 959 HG2 LYS 48 2HG LYS 48 -12.165 -11.158 -32.873 960 HG3 LYS 48 3HG LYS 48 -11.949 -10.568 -31.222 961 HD2 LYS 48 2HD LYS 48 -9.794 -9.521 -31.873 962 HD3 LYS 48 3HD LYS 48 -9.985 -10.141 -33.517 963 HE2 LYS 48 2HE LYS 48 -12.036 -8.783 -33.782 964 HE3 LYS 48 3HE LYS 48 -11.831 -8.166 -32.140 965 HZ1 LYS 48 1HZ LYS 48 -9.776 -7.116 -32.800 966 HZ2 LYS 48 2HZ LYS 48 -11.017 -6.618 -33.832 967 HZ3 LYS 48 3HZ LYS 48 -9.889 -7.763 -34.358 968 H LYS 49 H LYS 49 -10.255 -14.544 -33.165 969 HA LYS 49 HA LYS 49 -9.800 -17.068 -31.816 970 HB2 LYS 49 2HB LYS 49 -8.733 -16.123 -34.513 971 HB3 LYS 49 3HB LYS 49 -8.716 -17.776 -33.903 972 HG2 LYS 49 2HG LYS 49 -11.249 -17.690 -33.853 973 HG3 LYS 49 3HG LYS 49 -11.145 -16.133 -34.681 974 HD2 LYS 49 2HD LYS 49 -11.562 -17.901 -36.314 975 HD3 LYS 49 3HD LYS 49 -9.944 -17.240 -36.563 976 HE2 LYS 49 2HE LYS 49 -8.931 -19.155 -35.472 977 HE3 LYS 49 3HE LYS 49 -10.516 -19.780 -35.002 978 HZ1 LYS 49 1HZ LYS 49 -9.669 -20.950 -36.921 979 HZ2 LYS 49 2HZ LYS 49 -9.516 -19.511 -37.795 980 HZ3 LYS 49 3HZ LYS 49 -11.049 -20.073 -37.350 981 H ALA 50 H ALA 50 -7.638 -18.044 -31.806 982 HA ALA 50 HA ALA 50 -5.337 -16.281 -31.477 983 HB1 ALA 50 1HB ALA 50 -4.856 -17.087 -29.182 984 HB2 ALA 50 2HB ALA 50 -6.373 -17.990 -29.172 985 HB3 ALA 50 3HB ALA 50 -6.398 -16.227 -29.237 986 H ILE 51 H ILE 51 -3.361 -17.378 -31.667 987 HA ILE 51 HA ILE 51 -3.329 -20.031 -32.792 988 HB ILE 51 HB ILE 51 -0.801 -19.808 -32.675 989 HG12 ILE 51 2HG1 ILE 51 -0.007 -17.324 -32.289 990 HG13 ILE 51 3HG1 ILE 51 -1.493 -17.136 -31.372 991 HG21 ILE 51 1HG2 ILE 51 -0.667 -18.106 -34.466 992 HG22 ILE 51 2HG2 ILE 51 -2.288 -17.541 -34.063 993 HG23 ILE 51 3HG2 ILE 51 -2.053 -19.174 -34.694 994 HD11 ILE 51 1HD1 ILE 51 0.512 -17.544 -29.987 995 HD12 ILE 51 2HD1 ILE 51 0.682 -19.134 -30.727 996 HD13 ILE 51 3HD1 ILE 51 -0.740 -18.765 -29.743 997 H GLU 52 H GLU 52 -3.404 -18.830 -29.660 998 HA GLU 52 HA GLU 52 -2.103 -20.775 -28.121 999 HB2 GLU 52 2HB GLU 52 -4.504 -19.001 -27.536 1000 HB3 GLU 52 3HB GLU 52 -3.739 -20.011 -26.315 1001 HG2 GLU 52 2HG GLU 52 -2.336 -17.811 -27.861 1002 HG3 GLU 52 3HG GLU 52 -2.999 -17.642 -26.236 1003 H ASP 53 H ASP 53 -3.400 -22.254 -26.547 1004 HA ASP 53 HA ASP 53 -4.219 -24.443 -28.093 1005 HB2 ASP 53 2HB ASP 53 -4.569 -24.011 -25.092 1006 HB3 ASP 53 3HB ASP 53 -4.731 -25.561 -25.913 1007 H GLY 54 H GLY 54 -5.984 -24.255 -29.313 1008 HA2 GLY 54 2HA GLY 54 -8.495 -23.157 -28.445 1009 HA3 GLY 54 3HA GLY 54 -8.167 -23.978 -29.965 1010 H VAL 55 H VAL 55 -8.473 -24.608 -26.502 1011 HA VAL 55 HA VAL 55 -9.982 -27.085 -27.068 1012 HB VAL 55 HB VAL 55 -7.867 -27.798 -26.165 1013 HG11 VAL 55 1HG1 VAL 55 -7.085 -25.704 -25.218 1014 HG12 VAL 55 2HG1 VAL 55 -6.967 -26.984 -24.006 1015 HG13 VAL 55 3HG1 VAL 55 -8.285 -25.806 -23.928 1016 HG21 VAL 55 1HG2 VAL 55 -9.864 -28.983 -25.298 1017 HG22 VAL 55 2HG2 VAL 55 -9.936 -27.874 -23.929 1018 HG23 VAL 55 3HG2 VAL 55 -8.563 -28.971 -24.099 1019 HA PRO 56 HA PRO 56 -12.945 -24.988 -24.315 1020 HB2 PRO 56 2HB PRO 56 -15.090 -25.135 -25.904 1021 HB3 PRO 56 3HB PRO 56 -13.843 -23.928 -26.260 1022 HG2 PRO 56 2HG PRO 56 -14.412 -26.506 -27.637 1023 HG3 PRO 56 3HG PRO 56 -13.806 -24.980 -28.305 1024 HD2 PRO 56 2HD PRO 56 -12.219 -27.241 -27.558 1025 HD3 PRO 56 3HD PRO 56 -11.638 -25.635 -28.031 1026 H GLN 57 H GLN 57 -15.397 -26.143 -24.117 1027 HA GLN 57 HA GLN 57 -14.852 -28.880 -23.301 1028 HB2 GLN 57 2HB GLN 57 -17.191 -26.984 -22.953 1029 HB3 GLN 57 3HB GLN 57 -17.423 -28.706 -22.668 1030 HG2 GLN 57 2HG GLN 57 -16.963 -27.505 -20.581 1031 HG3 GLN 57 3HG GLN 57 -15.723 -28.702 -20.929 1032 HE21 GLN 57 1HE2 GLN 57 -15.974 -25.455 -22.328 1033 HE22 GLN 57 2HE2 GLN 57 -14.515 -24.864 -21.628 1034 HA PRO 58 HA PRO 58 -16.403 -31.070 -26.966 1035 HB2 PRO 58 2HB PRO 58 -17.578 -33.265 -25.760 1036 HB3 PRO 58 3HB PRO 58 -15.817 -33.054 -25.856 1037 HG2 PRO 58 2HG PRO 58 -17.646 -32.215 -23.601 1038 HG3 PRO 58 3HG PRO 58 -16.211 -33.290 -23.509 1039 HD2 PRO 58 2HD PRO 58 -15.912 -30.763 -22.871 1040 HD3 PRO 58 3HD PRO 58 -14.720 -31.461 -24.000 1041 H GLU 59 H GLU 59 -18.536 -30.489 -24.240 1042 HA GLU 59 HA GLU 59 -21.056 -30.613 -25.512 1043 HB2 GLU 59 2HB GLU 59 -20.213 -28.914 -23.117 1044 HB3 GLU 59 3HB GLU 59 -21.861 -29.371 -23.532 1045 HG2 GLU 59 2HG GLU 59 -19.656 -31.274 -22.694 1046 HG3 GLU 59 3HG GLU 59 -20.963 -30.699 -21.661 1047 H ALA 60 H ALA 60 -18.613 -28.156 -25.205 1048 HA ALA 60 HA ALA 60 -18.189 -26.163 -26.205 1049 HB1 ALA 60 1HB ALA 60 -20.258 -27.025 -28.256 1050 HB2 ALA 60 2HB ALA 60 -18.538 -27.424 -28.292 1051 HB3 ALA 60 3HB ALA 60 -19.056 -25.747 -28.461 1052 H LEU 61 H LEU 61 -20.546 -26.474 -24.285 1053 HA LEU 61 HA LEU 61 -22.170 -24.106 -24.951 1054 HB2 LEU 61 2HB LEU 61 -23.330 -26.256 -24.326 1055 HB3 LEU 61 3HB LEU 61 -22.561 -26.189 -22.751 1056 HG LEU 61 HG LEU 61 -23.790 -24.040 -22.284 1057 HD11 LEU 61 1HD1 LEU 61 -25.689 -23.383 -23.675 1058 HD12 LEU 61 2HD1 LEU 61 -25.236 -24.590 -24.883 1059 HD13 LEU 61 3HD1 LEU 61 -24.159 -23.235 -24.534 1060 HD21 LEU 61 1HD2 LEU 61 -24.655 -26.177 -21.455 1061 HD22 LEU 61 2HD2 LEU 61 -25.588 -26.394 -22.940 1062 HD23 LEU 61 3HD2 LEU 61 -25.964 -25.060 -21.842 1063 H GLU 62 H GLU 62 -20.402 -22.711 -24.587 1064 HA GLU 62 HA GLU 62 -18.958 -22.662 -22.090 1065 HB2 GLU 62 2HB GLU 62 -18.858 -20.647 -24.368 1066 HB3 GLU 62 3HB GLU 62 -17.658 -20.871 -23.105 1067 HG2 GLU 62 2HG GLU 62 -18.314 -22.815 -25.335 1068 HG3 GLU 62 3HG GLU 62 -16.882 -21.797 -25.234 Start of MODEL 16 1 H1 MET 1 1H MET 1 -3.527 -23.907 -9.899 2 H2 MET 1 2H MET 1 -2.618 -25.190 -9.288 3 H3 MET 1 3H MET 1 -3.597 -25.412 -10.648 4 HA MET 1 HA MET 1 -1.222 -23.677 -10.479 5 HB2 MET 1 2HB MET 1 -1.695 -26.411 -11.716 6 HB3 MET 1 3HB MET 1 -0.392 -25.368 -12.284 7 HG2 MET 1 2HG MET 1 0.416 -27.007 -10.645 8 HG3 MET 1 3HG MET 1 0.616 -25.354 -10.064 9 HE1 MET 1 1HE MET 1 -0.103 -27.317 -6.735 10 HE2 MET 1 2HE MET 1 1.000 -26.207 -7.553 11 HE3 MET 1 3HE MET 1 0.844 -27.874 -8.111 12 H GLU 2 H GLU 2 -1.544 -21.907 -11.674 13 HA GLU 2 HA GLU 2 -2.554 -22.218 -14.421 14 HB2 GLU 2 2HB GLU 2 -3.353 -19.715 -14.163 15 HB3 GLU 2 3HB GLU 2 -4.370 -21.016 -13.584 16 HG2 GLU 2 2HG GLU 2 -4.530 -19.384 -11.919 17 HG3 GLU 2 3HG GLU 2 -3.399 -20.558 -11.255 18 H GLU 3 H GLU 3 -1.299 -21.302 -15.973 19 HA GLU 3 HA GLU 3 1.422 -20.604 -15.149 20 HB2 GLU 3 2HB GLU 3 1.108 -22.455 -16.751 21 HB3 GLU 3 3HB GLU 3 0.261 -21.381 -17.862 22 HG2 GLU 3 2HG GLU 3 2.290 -20.098 -18.248 23 HG3 GLU 3 3HG GLU 3 3.152 -21.028 -17.021 24 H LEU 4 H LEU 4 2.494 -18.763 -15.796 25 HA LEU 4 HA LEU 4 1.142 -16.325 -16.219 26 HB2 LEU 4 2HB LEU 4 4.056 -17.121 -16.615 27 HB3 LEU 4 3HB LEU 4 3.495 -15.461 -16.779 28 HG LEU 4 HG LEU 4 3.287 -17.118 -14.237 29 HD11 LEU 4 1HD1 LEU 4 5.621 -16.627 -14.730 30 HD12 LEU 4 2HD1 LEU 4 5.062 -15.714 -13.334 31 HD13 LEU 4 3HD1 LEU 4 5.250 -14.906 -14.894 32 HD21 LEU 4 1HD2 LEU 4 2.711 -14.179 -14.710 33 HD22 LEU 4 2HD2 LEU 4 2.677 -15.005 -13.148 34 HD23 LEU 4 3HD2 LEU 4 1.518 -15.443 -14.398 35 H SER 5 H SER 5 -0.153 -16.348 -17.940 36 HA SER 5 HA SER 5 0.993 -16.325 -20.653 37 HB2 SER 5 2HB SER 5 -1.481 -17.953 -19.848 38 HB3 SER 5 3HB SER 5 -0.860 -17.753 -21.492 39 HG SER 5 HG SER 5 1.152 -18.582 -19.987 40 H GLY 6 H GLY 6 -1.185 -15.770 -22.148 41 HA2 GLY 6 2HA GLY 6 -2.127 -13.175 -21.224 42 HA3 GLY 6 3HA GLY 6 -2.437 -13.938 -22.775 43 H LYS 7 H LYS 7 -3.110 -15.014 -19.444 44 HA LYS 7 HA LYS 7 -5.972 -15.306 -20.118 45 HB2 LYS 7 2HB LYS 7 -6.194 -16.931 -18.428 46 HB3 LYS 7 3HB LYS 7 -4.638 -17.312 -19.135 47 HG2 LYS 7 2HG LYS 7 -5.095 -15.883 -16.482 48 HG3 LYS 7 3HG LYS 7 -4.686 -17.587 -16.681 49 HD2 LYS 7 2HD LYS 7 -2.507 -16.866 -17.739 50 HD3 LYS 7 3HD LYS 7 -2.919 -15.194 -17.330 51 HE2 LYS 7 2HE LYS 7 -2.474 -17.494 -15.385 52 HE3 LYS 7 3HE LYS 7 -1.414 -16.110 -15.636 53 HZ1 LYS 7 1HZ LYS 7 -3.082 -14.669 -14.690 54 HZ2 LYS 7 2HZ LYS 7 -2.775 -15.945 -13.617 55 HZ3 LYS 7 3HZ LYS 7 -4.181 -15.950 -14.559 56 HA PRO 8 HA PRO 8 -6.782 -11.690 -17.545 57 HB2 PRO 8 2HB PRO 8 -9.426 -12.050 -16.927 58 HB3 PRO 8 3HB PRO 8 -8.897 -11.633 -18.572 59 HG2 PRO 8 2HG PRO 8 -9.598 -14.344 -17.461 60 HG3 PRO 8 3HG PRO 8 -10.102 -13.595 -18.996 61 HD2 PRO 8 2HD PRO 8 -8.059 -15.379 -18.889 62 HD3 PRO 8 3HD PRO 8 -8.064 -14.025 -20.042 63 H LEU 9 H LEU 9 -7.718 -11.144 -15.322 64 HA LEU 9 HA LEU 9 -6.932 -13.084 -13.321 65 HB2 LEU 9 2HB LEU 9 -7.814 -11.271 -11.706 66 HB3 LEU 9 3HB LEU 9 -6.396 -10.901 -12.660 67 HG LEU 9 HG LEU 9 -7.878 -9.543 -14.219 68 HD11 LEU 9 1HD1 LEU 9 -10.061 -10.474 -13.781 69 HD12 LEU 9 2HD1 LEU 9 -10.078 -8.760 -13.370 70 HD13 LEU 9 3HD1 LEU 9 -9.985 -9.977 -12.090 71 HD21 LEU 9 1HD2 LEU 9 -7.778 -8.633 -11.329 72 HD22 LEU 9 2HD2 LEU 9 -8.019 -7.592 -12.738 73 HD23 LEU 9 3HD2 LEU 9 -6.496 -8.453 -12.532 74 H SER 10 H SER 10 -8.349 -14.101 -11.852 75 HA SER 10 HA SER 10 -11.066 -14.642 -12.746 76 HB2 SER 10 2HB SER 10 -9.546 -15.716 -10.311 77 HB3 SER 10 3HB SER 10 -11.049 -16.367 -10.981 78 HG SER 10 HG SER 10 -8.742 -16.124 -12.578 79 H TYR 11 H TYR 11 -12.822 -14.631 -10.998 80 HA TYR 11 HA TYR 11 -13.274 -12.062 -9.980 81 HB2 TYR 11 2HB TYR 11 -15.150 -13.571 -10.369 82 HB3 TYR 11 3HB TYR 11 -14.536 -14.729 -9.194 83 HD1 TYR 11 HD1 TYR 11 -15.197 -11.005 -9.068 84 HD2 TYR 11 HD2 TYR 11 -16.002 -14.841 -7.336 85 HE1 TYR 11 HE1 TYR 11 -16.574 -9.936 -7.333 86 HE2 TYR 11 HE2 TYR 11 -17.379 -13.760 -5.610 87 HH TYR 11 HH TYR 11 -17.622 -11.617 -4.551 88 H ALA 12 H ALA 12 -11.984 -14.953 -8.366 89 HA ALA 12 HA ALA 12 -11.753 -13.961 -5.742 90 HB1 ALA 12 1HB ALA 12 -10.183 -15.833 -5.394 91 HB2 ALA 12 2HB ALA 12 -10.059 -16.067 -7.141 92 HB3 ALA 12 3HB ALA 12 -11.595 -16.358 -6.316 93 H GLU 13 H GLU 13 -9.556 -13.789 -8.547 94 HA GLU 13 HA GLU 13 -7.338 -12.623 -7.149 95 HB2 GLU 13 2HB GLU 13 -7.879 -12.581 -10.156 96 HB3 GLU 13 3HB GLU 13 -6.329 -12.285 -9.364 97 HG2 GLU 13 2HG GLU 13 -6.436 -14.640 -8.472 98 HG3 GLU 13 3HG GLU 13 -7.865 -14.887 -9.481 99 H LYS 14 H LYS 14 -10.101 -11.381 -8.877 100 HA LYS 14 HA LYS 14 -9.278 -8.669 -9.217 101 HB2 LYS 14 2HB LYS 14 -11.001 -9.941 -10.595 102 HB3 LYS 14 3HB LYS 14 -12.110 -9.827 -9.241 103 HG2 LYS 14 2HG LYS 14 -10.949 -7.332 -10.503 104 HG3 LYS 14 3HG LYS 14 -12.313 -8.154 -11.253 105 HD2 LYS 14 2HD LYS 14 -12.269 -6.995 -8.430 106 HD3 LYS 14 3HD LYS 14 -13.037 -6.259 -9.839 107 HE2 LYS 14 2HE LYS 14 -14.545 -8.223 -10.020 108 HE3 LYS 14 3HE LYS 14 -13.800 -8.915 -8.576 109 HZ1 LYS 14 1HZ LYS 14 -15.878 -7.774 -8.098 110 HZ2 LYS 14 2HZ LYS 14 -15.240 -6.326 -8.688 111 HZ3 LYS 14 3HZ LYS 14 -14.580 -7.029 -7.307 112 H GLU 15 H GLU 15 -11.235 -10.407 -6.814 113 HA GLU 15 HA GLU 15 -11.955 -8.044 -5.314 114 HB2 GLU 15 2HB GLU 15 -13.092 -9.531 -3.770 115 HB3 GLU 15 3HB GLU 15 -13.462 -10.026 -5.419 116 HG2 GLU 15 2HG GLU 15 -11.814 -11.846 -5.237 117 HG3 GLU 15 3HG GLU 15 -11.456 -11.352 -3.583 118 H LYS 16 H LYS 16 -9.495 -10.661 -4.962 119 HA LYS 16 HA LYS 16 -8.564 -9.773 -2.424 120 HB2 LYS 16 2HB LYS 16 -6.763 -11.283 -2.605 121 HB3 LYS 16 3HB LYS 16 -8.074 -12.052 -3.490 122 HG2 LYS 16 2HG LYS 16 -7.071 -11.347 -5.624 123 HG3 LYS 16 3HG LYS 16 -5.772 -10.527 -4.761 124 HD2 LYS 16 2HD LYS 16 -5.000 -12.681 -5.620 125 HD3 LYS 16 3HD LYS 16 -4.994 -12.694 -3.857 126 HE2 LYS 16 2HE LYS 16 -7.101 -13.981 -3.867 127 HE3 LYS 16 3HE LYS 16 -7.129 -13.926 -5.630 128 HZ1 LYS 16 1HZ LYS 16 -5.111 -15.213 -5.695 129 HZ2 LYS 16 2HZ LYS 16 -6.262 -16.024 -4.761 130 HZ3 LYS 16 3HZ LYS 16 -4.992 -15.199 -4.011 131 H LEU 17 H LEU 17 -7.945 -8.764 -5.692 132 HA LEU 17 HA LEU 17 -5.602 -7.223 -5.170 133 HB2 LEU 17 2HB LEU 17 -6.558 -8.220 -7.426 134 HB3 LEU 17 3HB LEU 17 -7.420 -6.699 -7.529 135 HG LEU 17 HG LEU 17 -5.245 -6.775 -8.820 136 HD11 LEU 17 1HD1 LEU 17 -6.193 -4.596 -8.171 137 HD12 LEU 17 2HD1 LEU 17 -4.432 -4.564 -8.177 138 HD13 LEU 17 3HD1 LEU 17 -5.304 -4.660 -6.644 139 HD21 LEU 17 1HD2 LEU 17 -3.113 -6.692 -7.612 140 HD22 LEU 17 2HD2 LEU 17 -3.970 -8.172 -7.196 141 HD23 LEU 17 3HD2 LEU 17 -3.945 -6.817 -6.060 142 H LYS 18 H LYS 18 -9.089 -6.329 -5.581 143 HA LYS 18 HA LYS 18 -8.604 -3.545 -5.202 144 HB2 LYS 18 2HB LYS 18 -11.059 -3.278 -5.031 145 HB3 LYS 18 3HB LYS 18 -10.588 -4.240 -6.418 146 HG2 LYS 18 2HG LYS 18 -12.460 -5.382 -5.645 147 HG3 LYS 18 3HG LYS 18 -11.142 -6.298 -4.917 148 HD2 LYS 18 2HD LYS 18 -11.514 -5.061 -2.770 149 HD3 LYS 18 3HD LYS 18 -12.861 -4.200 -3.514 150 HE2 LYS 18 2HE LYS 18 -14.093 -6.283 -3.775 151 HE3 LYS 18 3HE LYS 18 -12.717 -7.214 -3.180 152 HZ1 LYS 18 1HZ LYS 18 -14.240 -5.210 -1.606 153 HZ2 LYS 18 2HZ LYS 18 -12.955 -6.148 -1.040 154 HZ3 LYS 18 3HZ LYS 18 -14.406 -6.885 -1.483 155 H GLU 19 H GLU 19 -9.304 -6.176 -2.936 156 HA GLU 19 HA GLU 19 -9.669 -4.440 -0.653 157 HB2 GLU 19 2HB GLU 19 -9.869 -6.396 0.681 158 HB3 GLU 19 3HB GLU 19 -10.603 -6.817 -0.863 159 HG2 GLU 19 2HG GLU 19 -8.571 -8.011 -1.520 160 HG3 GLU 19 3HG GLU 19 -7.800 -7.579 0.002 161 H LYS 20 H LYS 20 -6.933 -6.140 -2.174 162 HA LYS 20 HA LYS 20 -4.907 -5.577 -0.338 163 HB2 LYS 20 2HB LYS 20 -3.968 -6.848 -2.021 164 HB3 LYS 20 3HB LYS 20 -4.991 -6.146 -3.260 165 HG2 LYS 20 2HG LYS 20 -3.524 -4.255 -3.544 166 HG3 LYS 20 3HG LYS 20 -2.610 -4.670 -2.094 167 HD2 LYS 20 2HD LYS 20 -2.691 -6.361 -4.621 168 HD3 LYS 20 3HD LYS 20 -1.424 -5.193 -4.236 169 HE2 LYS 20 2HE LYS 20 -0.971 -6.521 -2.121 170 HE3 LYS 20 3HE LYS 20 -2.092 -7.741 -2.726 171 HZ1 LYS 20 1HZ LYS 20 0.411 -6.853 -4.071 172 HZ2 LYS 20 2HZ LYS 20 -0.678 -7.996 -4.678 173 HZ3 LYS 20 3HZ LYS 20 0.177 -8.322 -3.256 174 H LEU 21 H LEU 21 -6.239 -3.588 -2.971 175 HA LEU 21 HA LEU 21 -4.532 -1.362 -2.763 176 HB2 LEU 21 2HB LEU 21 -7.431 -1.402 -3.693 177 HB3 LEU 21 3HB LEU 21 -6.265 -0.125 -4.033 178 HG LEU 21 HG LEU 21 -6.079 -2.990 -5.036 179 HD11 LEU 21 1HD1 LEU 21 -6.812 -0.472 -6.527 180 HD12 LEU 21 2HD1 LEU 21 -7.902 -1.795 -6.097 181 HD13 LEU 21 3HD1 LEU 21 -6.586 -2.076 -7.234 182 HD21 LEU 21 1HD2 LEU 21 -3.848 -2.023 -4.738 183 HD22 LEU 21 2HD2 LEU 21 -4.311 -0.613 -5.697 184 HD23 LEU 21 3HD2 LEU 21 -4.234 -2.210 -6.446 185 H ALA 22 H ALA 22 -7.702 -2.008 -1.286 186 HA ALA 22 HA ALA 22 -7.977 0.456 0.118 187 HB1 ALA 22 1HB ALA 22 -9.320 -2.230 0.628 188 HB2 ALA 22 2HB ALA 22 -9.902 -0.981 -0.476 189 HB3 ALA 22 3HB ALA 22 -9.855 -0.668 1.261 190 H PHE 23 H PHE 23 -6.640 -2.701 0.982 191 HA PHE 23 HA PHE 23 -6.372 -2.339 3.778 192 HB2 PHE 23 2HB PHE 23 -6.363 -4.579 2.769 193 HB3 PHE 23 3HB PHE 23 -4.907 -4.208 1.855 194 HD1 PHE 23 HD1 PHE 23 -6.204 -4.662 5.338 195 HD2 PHE 23 HD2 PHE 23 -2.774 -4.650 2.786 196 HE1 PHE 23 HE1 PHE 23 -4.824 -5.572 7.163 197 HE2 PHE 23 HE2 PHE 23 -1.410 -5.551 4.606 198 HZ PHE 23 HZ PHE 23 -2.428 -6.018 6.801 199 H LEU 24 H LEU 24 -3.958 -2.123 1.160 200 HA LEU 24 HA LEU 24 -1.878 -1.182 2.824 201 HB2 LEU 24 2HB LEU 24 -0.580 -0.824 0.802 202 HB3 LEU 24 3HB LEU 24 -1.371 -2.383 0.776 203 HG LEU 24 HG LEU 24 -3.122 -1.228 -0.814 204 HD11 LEU 24 1HD1 LEU 24 -2.254 0.609 -2.185 205 HD12 LEU 24 2HD1 LEU 24 -0.838 0.730 -1.139 206 HD13 LEU 24 3HD1 LEU 24 -2.443 1.090 -0.503 207 HD21 LEU 24 1HD2 LEU 24 -1.766 -1.717 -2.812 208 HD22 LEU 24 2HD2 LEU 24 -1.582 -2.971 -1.588 209 HD23 LEU 24 3HD2 LEU 24 -0.304 -1.772 -1.817 210 H LYS 25 H LYS 25 -4.413 0.416 1.012 211 HA LYS 25 HA LYS 25 -3.471 3.078 0.965 212 HB2 LYS 25 2HB LYS 25 -5.369 2.366 -0.391 213 HB3 LYS 25 3HB LYS 25 -6.299 1.951 1.041 214 HG2 LYS 25 2HG LYS 25 -6.326 4.407 1.627 215 HG3 LYS 25 3HG LYS 25 -5.572 4.729 0.063 216 HD2 LYS 25 2HD LYS 25 -8.262 3.365 0.496 217 HD3 LYS 25 3HD LYS 25 -8.033 5.044 0.008 218 HE2 LYS 25 2HE LYS 25 -7.150 2.629 -1.620 219 HE3 LYS 25 3HE LYS 25 -8.621 3.570 -1.894 220 HZ1 LYS 25 1HZ LYS 25 -7.232 5.522 -2.269 221 HZ2 LYS 25 2HZ LYS 25 -6.893 4.292 -3.367 222 HZ3 LYS 25 3HZ LYS 25 -5.841 4.585 -2.078 223 H LYS 26 H LYS 26 -5.625 1.434 3.298 224 HA LYS 26 HA LYS 26 -6.013 3.732 4.919 225 HB2 LYS 26 2HB LYS 26 -7.187 2.254 6.470 226 HB3 LYS 26 3HB LYS 26 -7.679 1.916 4.818 227 HG2 LYS 26 2HG LYS 26 -6.288 -0.104 4.781 228 HG3 LYS 26 3HG LYS 26 -5.703 0.245 6.412 229 HD2 LYS 26 2HD LYS 26 -8.061 0.017 7.255 230 HD3 LYS 26 3HD LYS 26 -8.571 -0.422 5.619 231 HE2 LYS 26 2HE LYS 26 -7.083 -2.395 5.690 232 HE3 LYS 26 3HE LYS 26 -6.578 -1.955 7.324 233 HZ1 LYS 26 1HZ LYS 26 -8.281 -3.654 7.355 234 HZ2 LYS 26 2HZ LYS 26 -9.337 -2.652 6.495 235 HZ3 LYS 26 3HZ LYS 26 -8.857 -2.230 8.053 236 H GLU 27 H GLU 27 -3.872 0.869 5.167 237 HA GLU 27 HA GLU 27 -2.829 1.569 7.729 238 HB2 GLU 27 2HB GLU 27 -1.265 -0.205 7.497 239 HB3 GLU 27 3HB GLU 27 -2.729 -0.770 6.707 240 HG2 GLU 27 2HG GLU 27 -1.774 -0.442 4.527 241 HG3 GLU 27 3HG GLU 27 -0.376 0.399 5.197 242 H TYR 28 H TYR 28 -1.844 2.258 4.370 243 HA TYR 28 HA TYR 28 0.657 3.438 4.716 244 HB2 TYR 28 2HB TYR 28 -0.126 3.030 2.471 245 HB3 TYR 28 3HB TYR 28 -1.565 3.996 2.709 246 HD1 TYR 28 HD1 TYR 28 2.129 4.177 2.180 247 HD2 TYR 28 HD2 TYR 28 -1.542 6.365 2.242 248 HE1 TYR 28 HE1 TYR 28 3.255 6.086 1.125 249 HE2 TYR 28 HE2 TYR 28 -0.413 8.267 1.187 250 HH TYR 28 HH TYR 28 1.819 9.166 0.922 251 H SER 29 H SER 29 -2.560 4.949 4.754 252 HA SER 29 HA SER 29 -1.756 7.591 5.175 253 HB2 SER 29 2HB SER 29 -4.027 6.907 4.412 254 HB3 SER 29 3HB SER 29 -4.372 6.259 6.019 255 HG SER 29 HG SER 29 -3.851 8.953 5.304 256 H ARG 30 H ARG 30 -2.723 5.090 7.544 257 HA ARG 30 HA ARG 30 -2.527 6.826 9.824 258 HB2 ARG 30 2HB ARG 30 -2.618 3.783 9.730 259 HB3 ARG 30 3HB ARG 30 -2.908 4.784 11.153 260 HG2 ARG 30 2HG ARG 30 -4.923 5.738 10.041 261 HG3 ARG 30 3HG ARG 30 -4.633 4.682 8.653 262 HD2 ARG 30 2HD ARG 30 -6.327 3.685 10.093 263 HD3 ARG 30 3HD ARG 30 -4.858 2.705 10.149 264 HE ARG 30 HE ARG 30 -5.363 4.724 12.240 265 HH11 ARG 30 1HH1 ARG 30 -4.981 1.325 11.399 266 HH12 ARG 30 2HH1 ARG 30 -4.863 0.817 13.055 267 HH21 ARG 30 1HH2 ARG 30 -5.202 4.057 14.362 268 HH22 ARG 30 2HH2 ARG 30 -4.994 2.374 14.733 269 H THR 31 H THR 31 -0.394 4.323 8.469 270 HA THR 31 HA THR 31 1.417 4.402 10.679 271 HB THR 31 HB THR 31 0.918 2.295 9.310 272 HG1 THR 31 HG1 THR 31 3.552 3.124 9.985 273 HG21 THR 31 1HG2 THR 31 1.357 3.195 7.027 274 HG22 THR 31 2HG2 THR 31 2.379 1.807 7.397 275 HG23 THR 31 3HG2 THR 31 3.051 3.437 7.457 276 H LEU 32 H LEU 32 1.325 5.836 7.453 277 HA LEU 32 HA LEU 32 3.943 6.974 7.499 278 HB2 LEU 32 2HB LEU 32 2.593 6.821 5.431 279 HB3 LEU 32 3HB LEU 32 1.439 7.962 6.077 280 HG LEU 32 HG LEU 32 4.313 8.861 5.704 281 HD11 LEU 32 1HD1 LEU 32 3.751 7.797 3.561 282 HD12 LEU 32 2HD1 LEU 32 3.884 9.548 3.392 283 HD13 LEU 32 3HD1 LEU 32 2.292 8.784 3.445 284 HD21 LEU 32 1HD2 LEU 32 2.754 10.418 6.810 285 HD22 LEU 32 2HD2 LEU 32 1.683 10.348 5.412 286 HD23 LEU 32 3HD2 LEU 32 3.292 11.059 5.256 287 H ALA 33 H ALA 33 0.730 8.096 8.541 288 HA ALA 33 HA ALA 33 1.271 10.669 9.405 289 HB1 ALA 33 1HB ALA 33 -0.609 8.646 10.692 290 HB2 ALA 33 2HB ALA 33 -0.985 9.671 9.301 291 HB3 ALA 33 3HB ALA 33 -0.689 10.403 10.875 292 H ARG 34 H ARG 34 1.354 7.701 11.404 293 HA ARG 34 HA ARG 34 2.351 8.946 13.735 294 HB2 ARG 34 2HB ARG 34 2.493 6.746 14.695 295 HB3 ARG 34 3HB ARG 34 1.040 6.812 13.704 296 HG2 ARG 34 2HG ARG 34 2.349 5.639 11.878 297 HG3 ARG 34 3HG ARG 34 3.657 5.419 13.041 298 HD2 ARG 34 2HD ARG 34 0.830 4.338 13.268 299 HD3 ARG 34 3HD ARG 34 2.280 3.406 12.881 300 HE ARG 34 HE ARG 34 2.726 4.654 15.335 301 HH11 ARG 34 1HH1 ARG 34 0.559 2.162 14.067 302 HH12 ARG 34 2HH1 ARG 34 0.415 1.368 15.606 303 HH21 ARG 34 1HH2 ARG 34 2.481 3.596 17.321 304 HH22 ARG 34 2HH2 ARG 34 1.496 2.174 17.429 305 H LEU 35 H LEU 35 3.941 7.348 11.006 306 HA LEU 35 HA LEU 35 6.585 7.177 11.922 307 HB2 LEU 35 2HB LEU 35 5.825 6.242 9.739 308 HB3 LEU 35 3HB LEU 35 5.604 7.866 9.116 309 HG LEU 35 HG LEU 35 8.101 8.245 9.364 310 HD11 LEU 35 1HD1 LEU 35 8.590 6.582 11.079 311 HD12 LEU 35 2HD1 LEU 35 9.584 6.318 9.648 312 HD13 LEU 35 3HD1 LEU 35 8.191 5.276 9.956 313 HD21 LEU 35 1HD2 LEU 35 7.329 5.935 7.558 314 HD22 LEU 35 2HD2 LEU 35 8.755 6.962 7.388 315 HD23 LEU 35 3HD2 LEU 35 7.147 7.653 7.184 316 H GLN 36 H GLN 36 4.828 9.865 10.346 317 HA GLN 36 HA GLN 36 6.971 11.723 10.334 318 HB2 GLN 36 2HB GLN 36 3.980 12.322 10.243 319 HB3 GLN 36 3HB GLN 36 5.270 13.453 9.836 320 HG2 GLN 36 2HG GLN 36 4.480 10.947 8.340 321 HG3 GLN 36 3HG GLN 36 4.321 12.611 7.797 322 HE21 GLN 36 1HE2 GLN 36 5.709 10.255 6.611 323 HE22 GLN 36 2HE2 GLN 36 7.327 10.772 6.321 324 H ARG 37 H ARG 37 4.425 10.988 12.693 325 HA ARG 37 HA ARG 37 4.891 13.198 14.430 326 HB2 ARG 37 2HB ARG 37 3.679 10.496 15.151 327 HB3 ARG 37 3HB ARG 37 3.557 11.973 16.106 328 HG2 ARG 37 2HG ARG 37 2.287 11.382 13.421 329 HG3 ARG 37 3HG ARG 37 1.474 11.696 14.953 330 HD2 ARG 37 2HD ARG 37 2.272 14.043 14.880 331 HD3 ARG 37 3HD ARG 37 3.099 13.711 13.354 332 HE ARG 37 HE ARG 37 0.316 13.092 13.191 333 HH11 ARG 37 1HH1 ARG 37 2.581 15.794 13.106 334 HH12 ARG 37 2HH1 ARG 37 1.518 16.806 12.174 335 HH21 ARG 37 1HH2 ARG 37 -1.088 14.451 12.034 336 HH22 ARG 37 2HH2 ARG 37 -0.569 16.041 11.567 337 H ALA 38 H ALA 38 6.422 10.080 14.090 338 HA ALA 38 HA ALA 38 7.961 10.163 16.523 339 HB1 ALA 38 1HB ALA 38 7.385 8.040 15.404 340 HB2 ALA 38 2HB ALA 38 9.132 8.214 15.584 341 HB3 ALA 38 3HB ALA 38 8.373 8.498 14.014 342 H LYS 39 H LYS 39 8.771 10.693 13.072 343 HA LYS 39 HA LYS 39 11.546 11.228 13.624 344 HB2 LYS 39 2HB LYS 39 11.752 11.498 11.159 345 HB3 LYS 39 3HB LYS 39 10.952 9.999 11.617 346 HG2 LYS 39 2HG LYS 39 8.735 11.199 11.161 347 HG3 LYS 39 3HG LYS 39 9.682 12.493 10.425 348 HD2 LYS 39 2HD LYS 39 9.776 9.576 9.529 349 HD3 LYS 39 3HD LYS 39 8.723 10.794 8.808 350 HE2 LYS 39 2HE LYS 39 11.754 10.998 8.876 351 HE3 LYS 39 3HE LYS 39 10.820 10.378 7.512 352 HZ1 LYS 39 1HZ LYS 39 11.373 12.694 7.209 353 HZ2 LYS 39 2HZ LYS 39 10.604 13.110 8.651 354 HZ3 LYS 39 3HZ LYS 39 9.701 12.514 7.353 355 H ARG 40 H ARG 40 8.750 13.266 12.799 356 HA ARG 40 HA ARG 40 10.314 15.672 12.419 357 HB2 ARG 40 2HB ARG 40 7.297 15.364 12.740 358 HB3 ARG 40 3HB ARG 40 8.122 16.859 12.289 359 HG2 ARG 40 2HG ARG 40 8.928 15.778 10.222 360 HG3 ARG 40 3HG ARG 40 8.091 14.289 10.675 361 HD2 ARG 40 2HD ARG 40 5.930 15.506 10.605 362 HD3 ARG 40 3HD ARG 40 6.781 16.978 10.117 363 HE ARG 40 HE ARG 40 7.241 14.680 8.421 364 HH11 ARG 40 1HH1 ARG 40 5.180 17.517 8.887 365 HH12 ARG 40 2HH1 ARG 40 4.669 17.541 7.225 366 HH21 ARG 40 1HH2 ARG 40 6.560 14.738 6.289 367 HH22 ARG 40 2HH2 ARG 40 5.450 15.968 5.759 368 H ALA 41 H ALA 41 7.978 14.564 14.917 369 HA ALA 41 HA ALA 41 8.244 16.901 16.538 370 HB1 ALA 41 1HB ALA 41 6.892 15.700 18.198 371 HB2 ALA 41 2HB ALA 41 7.082 14.203 17.283 372 HB3 ALA 41 3HB ALA 41 6.177 15.548 16.586 373 H GLU 42 H GLU 42 9.596 13.591 16.675 374 HA GLU 42 HA GLU 42 11.139 12.540 17.972 375 HB2 GLU 42 2HB GLU 42 12.421 15.307 17.945 376 HB3 GLU 42 3HB GLU 42 13.254 13.813 18.387 377 HG2 GLU 42 2HG GLU 42 12.939 12.922 16.141 378 HG3 GLU 42 3HG GLU 42 11.978 14.327 15.680 379 H LYS 43 H LYS 43 8.876 13.704 19.253 380 HA LYS 43 HA LYS 43 9.052 15.052 21.616 381 HB2 LYS 43 2HB LYS 43 6.908 14.016 22.239 382 HB3 LYS 43 3HB LYS 43 6.905 14.362 20.517 383 HG2 LYS 43 2HG LYS 43 7.426 11.618 21.722 384 HG3 LYS 43 3HG LYS 43 5.853 12.150 21.140 385 HD2 LYS 43 2HD LYS 43 6.658 12.220 18.840 386 HD3 LYS 43 3HD LYS 43 8.328 11.984 19.359 387 HE2 LYS 43 2HE LYS 43 7.431 9.916 18.412 388 HE3 LYS 43 3HE LYS 43 7.754 9.698 20.133 389 HZ1 LYS 43 1HZ LYS 43 5.101 10.188 18.889 390 HZ2 LYS 43 2HZ LYS 43 5.381 10.038 20.552 391 HZ3 LYS 43 3HZ LYS 43 5.654 8.725 19.527 392 H ALA 44 H ALA 44 9.630 11.630 21.093 393 HA ALA 44 HA ALA 44 11.339 11.452 23.451 394 HB1 ALA 44 1HB ALA 44 10.287 9.286 24.115 395 HB2 ALA 44 2HB ALA 44 9.025 9.540 22.905 396 HB3 ALA 44 3HB ALA 44 9.166 10.641 24.274 397 H LYS 45 H LYS 45 12.939 11.503 21.874 398 HA LYS 45 HA LYS 45 13.017 9.474 19.739 399 HB2 LYS 45 2HB LYS 45 14.947 10.789 18.893 400 HB3 LYS 45 3HB LYS 45 13.515 11.795 19.110 401 HG2 LYS 45 2HG LYS 45 14.458 12.633 21.258 402 HG3 LYS 45 3HG LYS 45 15.915 11.673 20.987 403 HD2 LYS 45 2HD LYS 45 14.907 13.948 19.222 404 HD3 LYS 45 3HD LYS 45 16.248 14.040 20.362 405 HE2 LYS 45 2HE LYS 45 17.521 12.419 19.029 406 HE3 LYS 45 3HE LYS 45 16.164 12.243 17.915 407 HZ1 LYS 45 1HZ LYS 45 16.401 14.507 17.243 408 HZ2 LYS 45 2HZ LYS 45 17.912 13.764 17.106 409 HZ3 LYS 45 3HZ LYS 45 17.592 14.801 18.399 410 H ASN 46 H ASN 46 13.767 9.395 22.872 411 HA ASN 46 HA ASN 46 15.294 8.727 24.324 412 HB2 ASN 46 2HB ASN 46 14.749 6.564 23.112 413 HB3 ASN 46 3HB ASN 46 16.210 6.783 22.166 414 HD21 ASN 46 1HD2 ASN 46 15.341 4.719 24.114 415 HD22 ASN 46 2HD2 ASN 46 16.632 4.586 25.257 416 H SER 47 H SER 47 16.350 10.735 24.335 417 HA SER 47 HA SER 47 18.783 11.197 22.852 418 HB2 SER 47 2HB SER 47 17.257 13.021 23.710 419 HB3 SER 47 3HB SER 47 17.769 12.629 25.352 420 HG SER 47 HG SER 47 19.472 13.459 23.220 421 H LYS 48 H LYS 48 20.692 11.995 24.620 422 HA LYS 48 HA LYS 48 21.936 9.593 25.358 423 HB2 LYS 48 2HB LYS 48 23.238 11.593 24.780 424 HB3 LYS 48 3HB LYS 48 22.610 12.454 26.181 425 HG2 LYS 48 2HG LYS 48 24.933 11.688 26.541 426 HG3 LYS 48 3HG LYS 48 23.810 10.955 27.693 427 HD2 LYS 48 2HD LYS 48 23.756 8.898 26.234 428 HD3 LYS 48 3HD LYS 48 25.003 9.627 25.220 429 HE2 LYS 48 2HE LYS 48 26.564 9.619 27.097 430 HE3 LYS 48 3HE LYS 48 25.299 9.026 28.179 431 HZ1 LYS 48 1HZ LYS 48 26.434 7.564 25.854 432 HZ2 LYS 48 2HZ LYS 48 25.170 7.013 26.830 433 HZ3 LYS 48 3HZ LYS 48 26.705 7.226 27.490 434 H LYS 49 H LYS 49 21.324 8.255 26.927 435 HA LYS 49 HA LYS 49 20.229 9.229 29.504 436 HB2 LYS 49 2HB LYS 49 18.825 7.657 28.025 437 HB3 LYS 49 3HB LYS 49 20.036 6.416 28.315 438 HG2 LYS 49 2HG LYS 49 19.542 6.623 30.779 439 HG3 LYS 49 3HG LYS 49 18.240 7.735 30.371 440 HD2 LYS 49 2HD LYS 49 17.096 5.719 30.623 441 HD3 LYS 49 3HD LYS 49 17.341 5.780 28.881 442 HE2 LYS 49 2HE LYS 49 19.076 4.209 30.824 443 HE3 LYS 49 3HE LYS 49 17.755 3.530 29.878 444 HZ1 LYS 49 1HZ LYS 49 19.877 3.096 28.851 445 HZ2 LYS 49 2HZ LYS 49 20.229 4.742 28.776 446 HZ3 LYS 49 3HZ LYS 49 18.955 4.109 27.861 447 H ALA 50 H ALA 50 20.938 7.990 31.435 448 HA ALA 50 HA ALA 50 23.759 7.273 31.480 449 HB1 ALA 50 1HB ALA 50 21.650 7.230 33.680 450 HB2 ALA 50 2HB ALA 50 22.711 8.590 33.319 451 HB3 ALA 50 3HB ALA 50 23.394 7.079 33.920 452 H ILE 51 H ILE 51 24.453 5.167 32.444 453 HA ILE 51 HA ILE 51 23.202 2.969 31.036 454 HB ILE 51 HB ILE 51 25.137 1.584 31.903 455 HG12 ILE 51 2HG1 ILE 51 27.154 3.042 32.809 456 HG13 ILE 51 3HG1 ILE 51 25.912 4.173 33.320 457 HG21 ILE 51 1HG2 ILE 51 26.836 2.623 30.469 458 HG22 ILE 51 2HG2 ILE 51 25.927 4.134 30.467 459 HG23 ILE 51 3HG2 ILE 51 25.237 2.692 29.718 460 HD11 ILE 51 1HD1 ILE 51 26.148 1.296 34.207 461 HD12 ILE 51 2HD1 ILE 51 24.964 2.470 34.790 462 HD13 ILE 51 3HD1 ILE 51 26.681 2.706 35.122 463 H GLU 52 H GLU 52 22.562 4.280 34.004 464 HA GLU 52 HA GLU 52 22.016 1.859 35.510 465 HB2 GLU 52 2HB GLU 52 21.039 3.436 37.178 466 HB3 GLU 52 3HB GLU 52 22.691 3.850 36.724 467 HG2 GLU 52 2HG GLU 52 21.800 5.579 35.179 468 HG3 GLU 52 3HG GLU 52 20.164 5.197 35.718 469 H ASP 53 H ASP 53 20.803 1.336 33.320 470 HA ASP 53 HA ASP 53 18.049 2.164 33.097 471 HB2 ASP 53 2HB ASP 53 19.478 1.516 31.139 472 HB3 ASP 53 3HB ASP 53 19.667 -0.093 31.814 473 H GLY 54 H GLY 54 16.264 0.601 33.415 474 HA2 GLY 54 2HA GLY 54 16.472 -1.209 35.681 475 HA3 GLY 54 3HA GLY 54 15.056 -0.897 34.689 476 H VAL 55 H VAL 55 18.281 -2.313 34.311 477 HA VAL 55 HA VAL 55 17.398 -3.949 32.062 478 HB VAL 55 HB VAL 55 19.456 -2.597 31.858 479 HG11 VAL 55 1HG1 VAL 55 20.248 -2.584 34.177 480 HG12 VAL 55 2HG1 VAL 55 21.534 -3.098 33.080 481 HG13 VAL 55 3HG1 VAL 55 20.678 -4.294 34.059 482 HG21 VAL 55 1HG2 VAL 55 19.318 -4.617 30.499 483 HG22 VAL 55 2HG2 VAL 55 20.066 -5.565 31.787 484 HG23 VAL 55 3HG2 VAL 55 20.993 -4.307 30.967 485 HA PRO 56 HA PRO 56 17.269 -7.668 34.745 486 HB2 PRO 56 2HB PRO 56 16.791 -9.568 32.862 487 HB3 PRO 56 3HB PRO 56 15.552 -8.356 33.266 488 HG2 PRO 56 2HG PRO 56 17.491 -8.353 30.962 489 HG3 PRO 56 3HG PRO 56 15.737 -8.051 30.946 490 HD2 PRO 56 2HD PRO 56 17.563 -6.021 30.973 491 HD3 PRO 56 3HD PRO 56 15.965 -5.867 31.733 492 H GLN 57 H GLN 57 18.329 -10.009 34.475 493 HA GLN 57 HA GLN 57 21.173 -9.736 34.300 494 HB2 GLN 57 2HB GLN 57 19.468 -12.251 34.532 495 HB3 GLN 57 3HB GLN 57 21.207 -12.191 34.749 496 HG2 GLN 57 2HG GLN 57 19.164 -10.799 36.520 497 HG3 GLN 57 3HG GLN 57 20.022 -12.295 36.894 498 HE21 GLN 57 1HE2 GLN 57 20.319 -8.823 36.592 499 HE22 GLN 57 2HE2 GLN 57 21.853 -8.696 37.375 500 HA PRO 58 HA PRO 58 21.269 -10.412 29.860 501 HB2 PRO 58 2HB PRO 58 23.976 -10.316 29.458 502 HB3 PRO 58 3HB PRO 58 23.011 -8.877 29.835 503 HG2 PRO 58 2HG PRO 58 24.787 -10.472 31.633 504 HG3 PRO 58 3HG PRO 58 24.510 -8.715 31.584 505 HD2 PRO 58 2HD PRO 58 23.305 -10.451 33.416 506 HD3 PRO 58 3HD PRO 58 22.686 -8.843 32.988 507 H GLU 59 H GLU 59 23.934 -12.254 31.457 508 HA GLU 59 HA GLU 59 23.469 -14.544 29.668 509 HB2 GLU 59 2HB GLU 59 25.742 -13.721 29.714 510 HB3 GLU 59 3HB GLU 59 25.787 -13.728 31.467 511 HG2 GLU 59 2HG GLU 59 25.338 -16.388 30.203 512 HG3 GLU 59 3HG GLU 59 26.904 -15.660 29.863 513 H ALA 60 H ALA 60 23.530 -13.686 33.093 514 HA ALA 60 HA ALA 60 22.961 -16.356 34.052 515 HB1 ALA 60 1HB ALA 60 22.793 -15.270 36.259 516 HB2 ALA 60 2HB ALA 60 22.865 -13.680 35.492 517 HB3 ALA 60 3HB ALA 60 24.260 -14.761 35.415 518 H LEU 61 H LEU 61 21.035 -16.920 35.244 519 HA LEU 61 HA LEU 61 18.825 -17.256 35.553 520 HB2 LEU 61 2HB LEU 61 18.871 -14.231 35.387 521 HB3 LEU 61 3HB LEU 61 17.351 -15.073 35.587 522 HG LEU 61 HG LEU 61 18.118 -14.252 37.735 523 HD11 LEU 61 1HD1 LEU 61 16.880 -16.354 37.756 524 HD12 LEU 61 2HD1 LEU 61 18.048 -16.290 39.071 525 HD13 LEU 61 3HD1 LEU 61 18.388 -17.270 37.641 526 HD21 LEU 61 1HD2 LEU 61 20.528 -14.132 37.341 527 HD22 LEU 61 2HD2 LEU 61 20.642 -15.893 37.380 528 HD23 LEU 61 3HD2 LEU 61 20.176 -15.002 38.835 529 H GLU 62 H GLU 62 19.916 -17.241 32.731 530 HA GLU 62 HA GLU 62 17.724 -16.185 31.079 531 HB2 GLU 62 2HB GLU 62 20.324 -15.860 30.648 532 HB3 GLU 62 3HB GLU 62 20.251 -17.483 29.983 533 HG2 GLU 62 2HG GLU 62 18.612 -15.127 28.995 534 HG3 GLU 62 3HG GLU 62 20.121 -15.665 28.268 535 H1 MET 1 1H MET 1 10.649 -9.561 21.542 536 H2 MET 1 2H MET 1 11.995 -10.156 22.363 537 H3 MET 1 3H MET 1 12.172 -8.903 21.247 538 HA MET 1 HA MET 1 10.698 -8.774 23.803 539 HB2 MET 1 2HB MET 1 13.308 -7.425 22.976 540 HB3 MET 1 3HB MET 1 12.457 -7.139 24.494 541 HG2 MET 1 2HG MET 1 14.312 -8.635 24.882 542 HG3 MET 1 3HG MET 1 12.801 -9.518 25.105 543 HE1 MET 1 1HE MET 1 15.412 -12.137 23.612 544 HE2 MET 1 2HE MET 1 14.299 -11.847 24.949 545 HE3 MET 1 3HE MET 1 15.719 -10.817 24.736 546 H GLU 2 H GLU 2 8.864 -7.753 23.217 547 HA GLU 2 HA GLU 2 8.967 -5.053 22.139 548 HB2 GLU 2 2HB GLU 2 8.825 -6.427 20.086 549 HB3 GLU 2 3HB GLU 2 7.456 -7.314 20.738 550 HG2 GLU 2 2HG GLU 2 6.705 -5.706 19.061 551 HG3 GLU 2 3HG GLU 2 6.077 -5.272 20.647 552 H GLU 3 H GLU 3 7.249 -3.835 22.846 553 HA GLU 3 HA GLU 3 4.755 -5.036 23.715 554 HB2 GLU 3 2HB GLU 3 6.138 -5.106 25.815 555 HB3 GLU 3 3HB GLU 3 6.402 -3.367 25.684 556 HG2 GLU 3 2HG GLU 3 4.022 -2.929 25.993 557 HG3 GLU 3 3HG GLU 3 3.669 -4.657 25.973 558 H LEU 4 H LEU 4 3.856 -3.934 22.040 559 HA LEU 4 HA LEU 4 4.445 -1.428 21.008 560 HB2 LEU 4 2HB LEU 4 1.755 -2.855 21.008 561 HB3 LEU 4 3HB LEU 4 2.213 -1.566 19.903 562 HG LEU 4 HG LEU 4 3.590 -4.292 20.019 563 HD11 LEU 4 1HD1 LEU 4 1.281 -4.561 19.247 564 HD12 LEU 4 2HD1 LEU 4 2.429 -4.841 17.939 565 HD13 LEU 4 3HD1 LEU 4 1.532 -3.321 18.013 566 HD21 LEU 4 1HD2 LEU 4 4.608 -3.621 17.873 567 HD22 LEU 4 2HD2 LEU 4 5.060 -2.528 19.176 568 HD23 LEU 4 3HD2 LEU 4 3.837 -2.036 18.001 569 H SER 5 H SER 5 4.519 0.385 22.174 570 HA SER 5 HA SER 5 2.260 1.342 23.761 571 HB2 SER 5 2HB SER 5 3.622 -0.145 25.287 572 HB3 SER 5 3HB SER 5 5.016 0.906 25.038 573 HG SER 5 HG SER 5 3.621 1.274 26.957 574 H GLY 6 H GLY 6 3.584 3.494 25.036 575 HA2 GLY 6 2HA GLY 6 4.045 5.287 22.784 576 HA3 GLY 6 3HA GLY 6 3.910 5.721 24.479 577 H LYS 7 H LYS 7 6.156 3.701 22.564 578 HA LYS 7 HA LYS 7 8.389 5.462 23.381 579 HB2 LYS 7 2HB LYS 7 9.909 3.640 23.681 580 HB3 LYS 7 3HB LYS 7 8.480 3.225 24.612 581 HG2 LYS 7 2HG LYS 7 9.101 2.110 21.857 582 HG3 LYS 7 3HG LYS 7 9.567 1.326 23.367 583 HD2 LYS 7 2HD LYS 7 7.118 1.219 23.977 584 HD3 LYS 7 3HD LYS 7 6.739 1.849 22.368 585 HE2 LYS 7 2HE LYS 7 8.194 -0.752 22.972 586 HE3 LYS 7 3HE LYS 7 6.524 -0.597 22.437 587 HZ1 LYS 7 1HZ LYS 7 8.948 0.120 20.883 588 HZ2 LYS 7 2HZ LYS 7 7.365 0.409 20.374 589 HZ3 LYS 7 3HZ LYS 7 7.899 -1.176 20.595 590 HA PRO 8 HA PRO 8 8.972 6.064 19.069 591 HB2 PRO 8 2HB PRO 8 11.690 6.273 18.708 592 HB3 PRO 8 3HB PRO 8 10.754 7.501 19.593 593 HG2 PRO 8 2HG PRO 8 12.326 5.180 20.711 594 HG3 PRO 8 3HG PRO 8 12.370 6.894 21.202 595 HD2 PRO 8 2HD PRO 8 10.904 5.126 22.599 596 HD3 PRO 8 3HD PRO 8 10.292 6.774 22.313 597 H LEU 9 H LEU 9 9.262 4.997 17.119 598 HA LEU 9 HA LEU 9 10.134 2.280 16.996 599 HB2 LEU 9 2HB LEU 9 10.068 2.745 14.436 600 HB3 LEU 9 3HB LEU 9 8.571 2.756 15.340 601 HG LEU 9 HG LEU 9 8.641 5.290 15.320 602 HD11 LEU 9 1HD1 LEU 9 10.931 4.927 13.377 603 HD12 LEU 9 2HD1 LEU 9 10.992 5.724 14.949 604 HD13 LEU 9 3HD1 LEU 9 10.050 6.438 13.641 605 HD21 LEU 9 1HD2 LEU 9 8.581 3.948 12.603 606 HD22 LEU 9 2HD2 LEU 9 7.855 5.507 13.010 607 HD23 LEU 9 3HD2 LEU 9 7.241 4.031 13.752 608 H SER 10 H SER 10 12.089 1.468 16.254 609 HA SER 10 HA SER 10 14.474 3.014 16.693 610 HB2 SER 10 2HB SER 10 14.127 0.140 15.679 611 HB3 SER 10 3HB SER 10 15.628 0.849 16.293 612 HG SER 10 HG SER 10 13.233 0.651 17.808 613 H TYR 11 H TYR 11 16.297 2.811 15.020 614 HA TYR 11 HA TYR 11 15.642 4.137 12.652 615 HB2 TYR 11 2HB TYR 11 17.915 4.242 13.525 616 HB3 TYR 11 3HB TYR 11 18.123 2.503 13.344 617 HD1 TYR 11 HD1 TYR 11 16.935 5.241 11.006 618 HD2 TYR 11 HD2 TYR 11 19.718 2.047 11.661 619 HE1 TYR 11 HE1 TYR 11 17.891 5.606 8.770 620 HE2 TYR 11 HE2 TYR 11 20.661 2.431 9.429 621 HH TYR 11 HH TYR 11 20.035 3.381 7.321 622 H ALA 12 H ALA 12 16.168 0.674 13.235 623 HA ALA 12 HA ALA 12 15.935 -0.300 10.608 624 HB1 ALA 12 1HB ALA 12 15.532 -2.487 11.692 625 HB2 ALA 12 2HB ALA 12 15.253 -1.677 13.236 626 HB3 ALA 12 3HB ALA 12 16.852 -1.623 12.486 627 H GLU 13 H GLU 13 13.499 0.392 13.121 628 HA GLU 13 HA GLU 13 11.248 -0.709 11.713 629 HB2 GLU 13 2HB GLU 13 11.206 1.289 14.027 630 HB3 GLU 13 3HB GLU 13 9.860 0.283 13.483 631 HG2 GLU 13 2HG GLU 13 11.232 -1.734 14.088 632 HG3 GLU 13 3HG GLU 13 12.434 -0.643 14.781 633 H LYS 14 H LYS 14 12.757 2.419 11.906 634 HA LYS 14 HA LYS 14 10.675 4.032 10.788 635 HB2 LYS 14 2HB LYS 14 12.540 4.807 12.330 636 HB3 LYS 14 3HB LYS 14 13.671 4.629 11.000 637 HG2 LYS 14 2HG LYS 14 11.269 6.456 10.778 638 HG3 LYS 14 3HG LYS 14 12.724 6.990 11.611 639 HD2 LYS 14 2HD LYS 14 12.566 6.120 8.690 640 HD3 LYS 14 3HD LYS 14 12.644 7.786 9.272 641 HE2 LYS 14 2HE LYS 14 14.869 7.312 10.275 642 HE3 LYS 14 3HE LYS 14 14.797 5.670 9.623 643 HZ1 LYS 14 1HZ LYS 14 16.090 7.183 8.238 644 HZ2 LYS 14 2HZ LYS 14 14.726 8.153 7.999 645 HZ3 LYS 14 3HZ LYS 14 14.750 6.575 7.406 646 H GLU 15 H GLU 15 13.588 2.447 9.527 647 HA GLU 15 HA GLU 15 13.309 3.496 6.853 648 HB2 GLU 15 2HB GLU 15 15.260 2.175 6.289 649 HB3 GLU 15 3HB GLU 15 15.540 2.965 7.837 650 HG2 GLU 15 2HG GLU 15 15.073 0.886 9.016 651 HG3 GLU 15 3HG GLU 15 14.691 0.081 7.498 652 H LYS 16 H LYS 16 12.520 0.367 8.479 653 HA LYS 16 HA LYS 16 11.693 -0.937 6.094 654 HB2 LYS 16 2HB LYS 16 10.824 -2.693 7.399 655 HB3 LYS 16 3HB LYS 16 12.183 -2.086 8.334 656 HG2 LYS 16 2HG LYS 16 10.627 -0.866 9.814 657 HG3 LYS 16 3HG LYS 16 9.258 -1.443 8.867 658 HD2 LYS 16 2HD LYS 16 9.479 -2.750 10.923 659 HD3 LYS 16 3HD LYS 16 9.787 -3.775 9.521 660 HE2 LYS 16 2HE LYS 16 12.212 -3.604 9.937 661 HE3 LYS 16 3HE LYS 16 11.908 -2.532 11.304 662 HZ1 LYS 16 1HZ LYS 16 10.794 -4.316 12.450 663 HZ2 LYS 16 2HZ LYS 16 12.331 -4.835 11.976 664 HZ3 LYS 16 3HZ LYS 16 10.965 -5.344 11.121 665 H LEU 17 H LEU 17 10.138 1.308 8.252 666 HA LEU 17 HA LEU 17 7.468 0.922 7.334 667 HB2 LEU 17 2HB LEU 17 8.397 2.027 9.553 668 HB3 LEU 17 3HB LEU 17 8.386 3.503 8.611 669 HG LEU 17 HG LEU 17 6.335 3.142 10.057 670 HD11 LEU 17 1HD1 LEU 17 6.194 4.669 8.133 671 HD12 LEU 17 2HD1 LEU 17 4.667 3.839 8.417 672 HD13 LEU 17 3HD1 LEU 17 5.718 3.322 7.093 673 HD21 LEU 17 1HD2 LEU 17 4.661 1.483 9.400 674 HD22 LEU 17 2HD2 LEU 17 6.180 0.677 9.774 675 HD23 LEU 17 3HD2 LEU 17 5.694 0.905 8.089 676 H LYS 18 H LYS 18 9.986 3.407 6.561 677 HA LYS 18 HA LYS 18 8.292 4.807 4.741 678 HB2 LYS 18 2HB LYS 18 10.314 6.050 4.033 679 HB3 LYS 18 3HB LYS 18 10.141 5.986 5.776 680 HG2 LYS 18 2HG LYS 18 12.427 5.669 5.494 681 HG3 LYS 18 3HG LYS 18 11.836 4.018 5.671 682 HD2 LYS 18 2HD LYS 18 11.911 3.758 3.178 683 HD3 LYS 18 3HD LYS 18 12.549 5.395 3.042 684 HE2 LYS 18 2HE LYS 18 14.566 4.744 4.235 685 HE3 LYS 18 3HE LYS 18 13.914 3.131 4.535 686 HZ1 LYS 18 1HZ LYS 18 14.519 4.273 1.860 687 HZ2 LYS 18 2HZ LYS 18 13.955 2.711 2.168 688 HZ3 LYS 18 3HZ LYS 18 15.490 3.174 2.696 689 H GLU 19 H GLU 19 10.536 2.090 4.307 690 HA GLU 19 HA GLU 19 10.375 2.108 1.424 691 HB2 GLU 19 2HB GLU 19 11.694 0.126 1.439 692 HB3 GLU 19 3HB GLU 19 12.292 1.100 2.777 693 HG2 GLU 19 2HG GLU 19 11.061 -0.263 4.369 694 HG3 GLU 19 3HG GLU 19 10.356 -1.210 3.065 695 H LYS 20 H LYS 20 8.570 0.574 4.077 696 HA LYS 20 HA LYS 20 6.866 -1.104 2.622 697 HB2 LYS 20 2HB LYS 20 6.389 -1.433 4.856 698 HB3 LYS 20 3HB LYS 20 6.725 0.236 5.278 699 HG2 LYS 20 2HG LYS 20 4.510 0.945 4.662 700 HG3 LYS 20 3HG LYS 20 4.160 -0.602 3.888 701 HD2 LYS 20 2HD LYS 20 4.623 -0.220 6.870 702 HD3 LYS 20 3HD LYS 20 3.037 -0.300 6.098 703 HE2 LYS 20 2HE LYS 20 3.679 -2.613 5.253 704 HE3 LYS 20 3HE LYS 20 5.113 -2.509 6.277 705 HZ1 LYS 20 1HZ LYS 20 2.284 -2.399 7.199 706 HZ2 LYS 20 2HZ LYS 20 3.640 -2.221 8.199 707 HZ3 LYS 20 3HZ LYS 20 3.362 -3.689 7.405 708 H LEU 21 H LEU 21 6.606 2.360 3.387 709 HA LEU 21 HA LEU 21 4.102 2.897 2.228 710 HB2 LEU 21 2HB LEU 21 6.465 4.796 2.510 711 HB3 LEU 21 3HB LEU 21 4.790 5.279 2.257 712 HG LEU 21 HG LEU 21 5.852 3.856 4.725 713 HD11 LEU 21 1HD1 LEU 21 5.058 6.742 4.355 714 HD12 LEU 21 2HD1 LEU 21 6.696 6.121 4.586 715 HD13 LEU 21 3HD1 LEU 21 5.511 5.974 5.881 716 HD21 LEU 21 1HD2 LEU 21 3.507 3.276 4.324 717 HD22 LEU 21 2HD2 LEU 21 3.083 4.988 4.211 718 HD23 LEU 21 3HD2 LEU 21 3.668 4.318 5.737 719 H ALA 22 H ALA 22 7.384 3.125 0.887 720 HA ALA 22 HA ALA 22 6.681 4.107 -1.695 721 HB1 ALA 22 1HB ALA 22 9.206 2.674 -0.774 722 HB2 ALA 22 2HB ALA 22 8.924 4.415 -0.698 723 HB3 ALA 22 3HB ALA 22 9.032 3.608 -2.264 724 H PHE 23 H PHE 23 7.162 0.867 -0.359 725 HA PHE 23 HA PHE 23 7.224 -0.626 -2.770 726 HB2 PHE 23 2HB PHE 23 8.115 -1.546 -0.671 727 HB3 PHE 23 3HB PHE 23 6.534 -1.457 0.088 728 HD1 PHE 23 HD1 PHE 23 8.412 -3.144 -2.674 729 HD2 PHE 23 HD2 PHE 23 5.061 -3.317 -0.020 730 HE1 PHE 23 HE1 PHE 23 7.954 -5.456 -3.382 731 HE2 PHE 23 HE2 PHE 23 4.611 -5.616 -0.742 732 HZ PHE 23 HZ PHE 23 6.057 -6.691 -2.418 733 H LEU 24 H LEU 24 4.612 -0.174 -0.377 734 HA LEU 24 HA LEU 24 2.636 -1.466 -1.913 735 HB2 LEU 24 2HB LEU 24 1.022 -0.691 -0.276 736 HB3 LEU 24 3HB LEU 24 2.448 -1.335 0.504 737 HG LEU 24 HG LEU 24 3.145 1.181 0.826 738 HD11 LEU 24 1HD1 LEU 24 1.295 2.774 1.019 739 HD12 LEU 24 2HD1 LEU 24 0.184 1.582 0.348 740 HD13 LEU 24 3HD1 LEU 24 1.498 2.222 -0.637 741 HD21 LEU 24 1HD2 LEU 24 1.887 1.351 2.934 742 HD22 LEU 24 2HD2 LEU 24 2.527 -0.275 2.698 743 HD23 LEU 24 3HD2 LEU 24 0.812 0.047 2.411 744 H LYS 25 H LYS 25 3.765 1.851 -1.793 745 HA LYS 25 HA LYS 25 1.668 3.202 -3.114 746 HB2 LYS 25 2HB LYS 25 3.435 4.416 -1.946 747 HB3 LYS 25 3HB LYS 25 4.663 3.755 -3.017 748 HG2 LYS 25 2HG LYS 25 3.619 5.049 -4.902 749 HG3 LYS 25 3HG LYS 25 2.535 5.797 -3.727 750 HD2 LYS 25 2HD LYS 25 5.574 5.968 -3.710 751 HD3 LYS 25 3HD LYS 25 4.483 7.237 -4.263 752 HE2 LYS 25 2HE LYS 25 4.587 6.169 -1.416 753 HE3 LYS 25 3HE LYS 25 5.377 7.643 -1.981 754 HZ1 LYS 25 1HZ LYS 25 3.196 8.509 -2.598 755 HZ2 LYS 25 2HZ LYS 25 3.300 8.170 -0.948 756 HZ3 LYS 25 3HZ LYS 25 2.459 7.121 -1.976 757 H LYS 26 H LYS 26 4.678 1.786 -4.404 758 HA LYS 26 HA LYS 26 4.184 2.592 -7.084 759 HB2 LYS 26 2HB LYS 26 6.156 1.277 -7.682 760 HB3 LYS 26 3HB LYS 26 6.477 2.231 -6.241 761 HG2 LYS 26 2HG LYS 26 6.230 0.238 -4.831 762 HG3 LYS 26 3HG LYS 26 5.820 -0.735 -6.250 763 HD2 LYS 26 2HD LYS 26 8.098 -0.229 -7.189 764 HD3 LYS 26 3HD LYS 26 8.488 0.630 -5.695 765 HE2 LYS 26 2HE LYS 26 8.180 -1.447 -4.414 766 HE3 LYS 26 3HE LYS 26 7.744 -2.307 -5.894 767 HZ1 LYS 26 1HZ LYS 26 10.037 -2.696 -5.298 768 HZ2 LYS 26 2HZ LYS 26 10.366 -1.041 -5.339 769 HZ3 LYS 26 3HZ LYS 26 9.949 -1.853 -6.759 770 H GLU 27 H GLU 27 3.740 -0.480 -5.300 771 HA GLU 27 HA GLU 27 2.927 -1.990 -7.579 772 HB2 GLU 27 2HB GLU 27 2.389 -3.779 -6.104 773 HB3 GLU 27 3HB GLU 27 3.793 -2.998 -5.393 774 HG2 GLU 27 2HG GLU 27 2.448 -1.963 -3.695 775 HG3 GLU 27 3HG GLU 27 0.955 -2.488 -4.476 776 H TYR 28 H TYR 28 1.199 -0.067 -5.116 777 HA TYR 28 HA TYR 28 -1.471 -0.675 -5.656 778 HB2 TYR 28 2HB TYR 28 -0.970 0.709 -3.741 779 HB3 TYR 28 3HB TYR 28 -0.150 1.906 -4.722 780 HD1 TYR 28 HD1 TYR 28 -3.505 0.555 -3.800 781 HD2 TYR 28 HD2 TYR 28 -1.372 3.740 -5.700 782 HE1 TYR 28 HE1 TYR 28 -5.564 1.889 -3.867 783 HE2 TYR 28 HE2 TYR 28 -3.431 5.066 -5.761 784 HH TYR 28 HH TYR 28 -5.798 4.784 -5.687 785 H SER 29 H SER 29 0.608 1.831 -7.095 786 HA SER 29 HA SER 29 -1.286 2.970 -8.810 787 HB2 SER 29 2HB SER 29 0.888 4.033 -8.192 788 HB3 SER 29 3HB SER 29 1.747 2.836 -9.171 789 HG SER 29 HG SER 29 -0.136 4.754 -10.072 790 H ARG 30 H ARG 30 1.129 0.405 -9.437 791 HA ARG 30 HA ARG 30 0.487 0.136 -12.218 792 HB2 ARG 30 2HB ARG 30 2.009 -1.793 -10.422 793 HB3 ARG 30 3HB ARG 30 2.004 -1.802 -12.186 794 HG2 ARG 30 2HG ARG 30 3.096 0.435 -12.178 795 HG3 ARG 30 3HG ARG 30 3.139 0.388 -10.412 796 HD2 ARG 30 2HD ARG 30 5.308 -0.280 -11.293 797 HD3 ARG 30 3HD ARG 30 4.533 -1.671 -10.527 798 HE ARG 30 HE ARG 30 4.345 -1.289 -13.447 799 HH11 ARG 30 1HH1 ARG 30 5.504 -3.262 -10.763 800 HH12 ARG 30 2HH1 ARG 30 5.919 -4.604 -11.783 801 HH21 ARG 30 1HH2 ARG 30 4.874 -3.032 -14.756 802 HH22 ARG 30 2HH2 ARG 30 5.560 -4.472 -14.064 803 H THR 31 H THR 31 -0.374 -1.768 -9.350 804 HA THR 31 HA THR 31 -1.634 -3.842 -10.856 805 HB THR 31 HB THR 31 -0.405 -4.222 -8.646 806 HG1 THR 31 HG1 THR 31 -2.977 -5.267 -9.210 807 HG21 THR 31 1HG2 THR 31 -1.547 -2.509 -7.244 808 HG22 THR 31 2HG2 THR 31 -1.716 -4.130 -6.575 809 HG23 THR 31 3HG2 THR 31 -3.069 -3.394 -7.431 810 H LEU 32 H LEU 32 -2.742 -0.971 -9.107 811 HA LEU 32 HA LEU 32 -5.538 -1.488 -9.350 812 HB2 LEU 32 2HB LEU 32 -4.642 0.248 -7.836 813 HB3 LEU 32 3HB LEU 32 -4.091 1.186 -9.204 814 HG LEU 32 HG LEU 32 -7.056 0.610 -8.957 815 HD11 LEU 32 1HD1 LEU 32 -6.430 1.385 -6.713 816 HD12 LEU 32 2HD1 LEU 32 -7.409 2.585 -7.556 817 HD13 LEU 32 3HD1 LEU 32 -5.662 2.812 -7.414 818 HD21 LEU 32 1HD2 LEU 32 -6.279 1.766 -10.987 819 HD22 LEU 32 2HD2 LEU 32 -5.546 3.030 -10.000 820 HD23 LEU 32 3HD2 LEU 32 -7.302 2.826 -10.016 821 H ALA 33 H ALA 33 -3.144 0.192 -11.390 822 HA ALA 33 HA ALA 33 -4.733 1.133 -13.456 823 HB1 ALA 33 1HB ALA 33 -1.922 -0.021 -13.678 824 HB2 ALA 33 2HB ALA 33 -2.323 1.634 -13.206 825 HB3 ALA 33 3HB ALA 33 -2.690 1.074 -14.838 826 H ARG 34 H ARG 34 -3.031 -2.021 -13.340 827 HA ARG 34 HA ARG 34 -4.134 -3.026 -15.744 828 HB2 ARG 34 2HB ARG 34 -3.048 -5.109 -15.227 829 HB3 ARG 34 3HB ARG 34 -1.975 -3.802 -14.730 830 HG2 ARG 34 2HG ARG 34 -2.837 -4.143 -12.366 831 HG3 ARG 34 3HG ARG 34 -3.660 -5.590 -12.950 832 HD2 ARG 34 2HD ARG 34 -0.671 -5.069 -13.005 833 HD3 ARG 34 3HD ARG 34 -1.525 -6.157 -11.903 834 HE ARG 34 HE ARG 34 -2.139 -6.972 -14.499 835 HH11 ARG 34 1HH1 ARG 34 0.709 -6.868 -12.430 836 HH12 ARG 34 2HH1 ARG 34 1.467 -8.218 -13.214 837 HH21 ARG 34 1HH2 ARG 34 -1.095 -8.712 -15.540 838 HH22 ARG 34 2HH2 ARG 34 0.454 -9.257 -14.965 839 H LEU 35 H LEU 35 -5.171 -3.258 -12.360 840 HA LEU 35 HA LEU 35 -7.212 -5.174 -12.557 841 HB2 LEU 35 2HB LEU 35 -6.454 -4.184 -10.402 842 HB3 LEU 35 3HB LEU 35 -7.146 -2.641 -10.866 843 HG LEU 35 HG LEU 35 -9.438 -3.725 -10.854 844 HD11 LEU 35 1HD1 LEU 35 -8.785 -6.048 -11.195 845 HD12 LEU 35 2HD1 LEU 35 -9.744 -5.873 -9.728 846 HD13 LEU 35 3HD1 LEU 35 -7.993 -6.080 -9.614 847 HD21 LEU 35 1HD2 LEU 35 -7.947 -3.842 -8.219 848 HD22 LEU 35 2HD2 LEU 35 -9.699 -3.745 -8.426 849 HD23 LEU 35 3HD2 LEU 35 -8.678 -2.403 -8.938 850 H GLN 36 H GLN 36 -7.234 -1.647 -13.142 851 HA GLN 36 HA GLN 36 -9.985 -1.433 -13.831 852 HB2 GLN 36 2HB GLN 36 -7.717 0.455 -14.595 853 HB3 GLN 36 3HB GLN 36 -9.439 0.816 -14.707 854 HG2 GLN 36 2HG GLN 36 -7.815 0.379 -12.195 855 HG3 GLN 36 3HG GLN 36 -8.547 1.879 -12.741 856 HE21 GLN 36 1HE2 GLN 36 -8.836 0.327 -10.210 857 HE22 GLN 36 2HE2 GLN 36 -10.533 0.070 -10.008 858 H ARG 37 H ARG 37 -7.053 -2.055 -15.721 859 HA ARG 37 HA ARG 37 -8.235 -1.806 -18.304 860 HB2 ARG 37 2HB ARG 37 -5.772 -3.429 -17.527 861 HB3 ARG 37 3HB ARG 37 -6.218 -2.948 -19.164 862 HG2 ARG 37 2HG ARG 37 -5.270 -1.181 -16.895 863 HG3 ARG 37 3HG ARG 37 -4.484 -1.463 -18.445 864 HD2 ARG 37 2HD ARG 37 -6.320 -0.238 -19.584 865 HD3 ARG 37 3HD ARG 37 -7.108 0.023 -18.024 866 HE ARG 37 HE ARG 37 -4.438 1.009 -18.010 867 HH11 ARG 37 1HH1 ARG 37 -7.678 1.828 -19.132 868 HH12 ARG 37 2HH1 ARG 37 -7.363 3.535 -19.142 869 HH21 ARG 37 1HH2 ARG 37 -4.027 3.228 -18.083 870 HH22 ARG 37 2HH2 ARG 37 -5.289 4.326 -18.548 871 H ALA 38 H ALA 38 -8.116 -4.411 -15.982 872 HA ALA 38 HA ALA 38 -9.103 -6.478 -17.722 873 HB1 ALA 38 1HB ALA 38 -7.789 -6.980 -15.699 874 HB2 ALA 38 2HB ALA 38 -9.360 -7.785 -15.659 875 HB3 ALA 38 3HB ALA 38 -9.083 -6.334 -14.690 876 H LYS 39 H LYS 39 -10.608 -4.536 -15.118 877 HA LYS 39 HA LYS 39 -13.166 -5.815 -15.404 878 HB2 LYS 39 2HB LYS 39 -13.864 -4.311 -13.541 879 HB3 LYS 39 3HB LYS 39 -12.380 -5.193 -13.196 880 HG2 LYS 39 2HG LYS 39 -11.114 -3.082 -13.903 881 HG3 LYS 39 3HG LYS 39 -12.663 -2.241 -13.883 882 HD2 LYS 39 2HD LYS 39 -11.489 -3.714 -11.480 883 HD3 LYS 39 3HD LYS 39 -11.250 -1.994 -11.785 884 HE2 LYS 39 2HE LYS 39 -13.963 -3.301 -11.401 885 HE3 LYS 39 3HE LYS 39 -13.056 -2.465 -10.138 886 HZ1 LYS 39 1HZ LYS 39 -14.691 -1.019 -11.118 887 HZ2 LYS 39 2HZ LYS 39 -14.044 -1.249 -12.659 888 HZ3 LYS 39 3HZ LYS 39 -13.141 -0.443 -11.476 889 H ARG 40 H ARG 40 -11.859 -2.676 -16.407 890 HA ARG 40 HA ARG 40 -14.422 -1.587 -17.219 891 HB2 ARG 40 2HB ARG 40 -11.606 -0.548 -17.788 892 HB3 ARG 40 3HB ARG 40 -13.100 0.318 -18.157 893 HG2 ARG 40 2HG ARG 40 -13.632 0.412 -15.748 894 HG3 ARG 40 3HG ARG 40 -12.133 -0.449 -15.382 895 HD2 ARG 40 2HD ARG 40 -10.846 1.426 -16.377 896 HD3 ARG 40 3HD ARG 40 -12.360 2.285 -16.692 897 HE ARG 40 HE ARG 40 -11.934 1.511 -13.936 898 HH11 ARG 40 1HH1 ARG 40 -11.476 4.090 -16.301 899 HH12 ARG 40 2HH1 ARG 40 -11.312 5.317 -15.088 900 HH21 ARG 40 1HH2 ARG 40 -11.683 3.126 -12.380 901 HH22 ARG 40 2HH2 ARG 40 -11.430 4.774 -12.872 902 H ALA 41 H ALA 41 -11.466 -2.631 -18.981 903 HA ALA 41 HA ALA 41 -12.557 -2.219 -21.577 904 HB1 ALA 41 1HB ALA 41 -10.542 -3.315 -22.421 905 HB2 ALA 41 2HB ALA 41 -10.144 -3.872 -20.795 906 HB3 ALA 41 3HB ALA 41 -10.125 -2.145 -21.161 907 H GLU 42 H GLU 42 -12.110 -5.123 -19.534 908 HA GLU 42 HA GLU 42 -12.806 -7.280 -19.650 909 HB2 GLU 42 2HB GLU 42 -15.202 -6.012 -21.055 910 HB3 GLU 42 3HB GLU 42 -15.179 -7.641 -20.373 911 HG2 GLU 42 2HG GLU 42 -14.834 -6.748 -18.132 912 HG3 GLU 42 3HG GLU 42 -14.734 -5.106 -18.770 913 H LYS 43 H LYS 43 -11.090 -6.381 -21.731 914 HA LYS 43 HA LYS 43 -11.570 -7.321 -24.313 915 HB2 LYS 43 2HB LYS 43 -9.176 -7.206 -24.670 916 HB3 LYS 43 3HB LYS 43 -9.601 -5.890 -23.587 917 HG2 LYS 43 2HG LYS 43 -8.352 -8.525 -22.731 918 HG3 LYS 43 3HG LYS 43 -7.459 -7.027 -22.978 919 HD2 LYS 43 2HD LYS 43 -8.763 -5.988 -21.091 920 HD3 LYS 43 3HD LYS 43 -9.604 -7.526 -20.859 921 HE2 LYS 43 2HE LYS 43 -7.764 -7.221 -19.227 922 HE3 LYS 43 3HE LYS 43 -7.491 -8.626 -20.261 923 HZ1 LYS 43 1HZ LYS 43 -6.246 -5.957 -20.688 924 HZ2 LYS 43 2HZ LYS 43 -5.914 -7.382 -21.543 925 HZ3 LYS 43 3HZ LYS 43 -5.496 -7.259 -19.914 926 H ALA 44 H ALA 44 -10.657 -9.045 -21.423 927 HA ALA 44 HA ALA 44 -11.155 -11.642 -22.722 928 HB1 ALA 44 1HB ALA 44 -9.301 -12.631 -21.387 929 HB2 ALA 44 2HB ALA 44 -8.844 -11.019 -20.830 930 HB3 ALA 44 3HB ALA 44 -8.707 -11.432 -22.540 931 H LYS 45 H LYS 45 -13.219 -11.287 -21.823 932 HA LYS 45 HA LYS 45 -13.619 -11.335 -18.944 933 HB2 LYS 45 2HB LYS 45 -15.218 -10.174 -20.451 934 HB3 LYS 45 3HB LYS 45 -15.551 -11.693 -21.275 935 HG2 LYS 45 2HG LYS 45 -16.496 -12.575 -19.085 936 HG3 LYS 45 3HG LYS 45 -16.292 -10.950 -18.418 937 HD2 LYS 45 2HD LYS 45 -18.038 -11.727 -20.788 938 HD3 LYS 45 3HD LYS 45 -18.611 -11.292 -19.179 939 HE2 LYS 45 2HE LYS 45 -17.862 -8.998 -19.474 940 HE3 LYS 45 3HE LYS 45 -17.066 -9.406 -20.995 941 HZ1 LYS 45 1HZ LYS 45 -19.141 -8.354 -21.450 942 HZ2 LYS 45 2HZ LYS 45 -19.983 -9.423 -20.462 943 HZ3 LYS 45 3HZ LYS 45 -19.280 -9.978 -21.895 944 H ASN 46 H ASN 46 -13.110 -13.537 -21.528 945 HA ASN 46 HA ASN 46 -13.286 -15.721 -21.944 946 HB2 ASN 46 2HB ASN 46 -12.134 -16.089 -19.751 947 HB3 ASN 46 3HB ASN 46 -13.696 -16.146 -18.947 948 HD21 ASN 46 1HD2 ASN 46 -11.542 -17.812 -21.163 949 HD22 ASN 46 2HD2 ASN 46 -12.278 -19.366 -21.006 950 H SER 47 H SER 47 -15.109 -14.991 -23.104 951 HA SER 47 HA SER 47 -17.790 -15.211 -21.983 952 HB2 SER 47 2HB SER 47 -17.096 -13.348 -23.546 953 HB3 SER 47 3HB SER 47 -16.910 -14.542 -24.833 954 HG SER 47 HG SER 47 -18.941 -14.126 -25.179 955 H LYS 48 H LYS 48 -19.305 -16.270 -24.074 956 HA LYS 48 HA LYS 48 -19.124 -19.047 -23.610 957 HB2 LYS 48 2HB LYS 48 -21.254 -17.824 -24.219 958 HB3 LYS 48 3HB LYS 48 -20.670 -17.700 -25.879 959 HG2 LYS 48 2HG LYS 48 -22.222 -19.577 -25.696 960 HG3 LYS 48 3HG LYS 48 -20.591 -20.169 -26.027 961 HD2 LYS 48 2HD LYS 48 -20.322 -20.639 -23.554 962 HD3 LYS 48 3HD LYS 48 -22.014 -20.190 -23.324 963 HE2 LYS 48 2HE LYS 48 -20.973 -22.487 -25.015 964 HE3 LYS 48 3HE LYS 48 -21.765 -22.628 -23.445 965 HZ1 LYS 48 1HZ LYS 48 -22.968 -21.661 -25.971 966 HZ2 LYS 48 2HZ LYS 48 -23.750 -21.616 -24.475 967 HZ3 LYS 48 3HZ LYS 48 -23.327 -23.098 -25.162 968 H LYS 49 H LYS 49 -18.247 -20.679 -24.720 969 HA LYS 49 HA LYS 49 -16.578 -20.212 -27.112 970 HB2 LYS 49 2HB LYS 49 -15.339 -19.822 -24.852 971 HB3 LYS 49 3HB LYS 49 -15.561 -21.528 -24.530 972 HG2 LYS 49 2HG LYS 49 -14.089 -20.632 -27.019 973 HG3 LYS 49 3HG LYS 49 -13.267 -20.633 -25.459 974 HD2 LYS 49 2HD LYS 49 -14.536 -23.045 -26.811 975 HD3 LYS 49 3HD LYS 49 -12.815 -22.683 -26.743 976 HE2 LYS 49 2HE LYS 49 -14.575 -23.318 -24.337 977 HE3 LYS 49 3HE LYS 49 -13.443 -24.424 -25.123 978 HZ1 LYS 49 1HZ LYS 49 -12.742 -21.894 -23.765 979 HZ2 LYS 49 2HZ LYS 49 -11.657 -22.895 -24.585 980 HZ3 LYS 49 3HZ LYS 49 -12.439 -23.457 -23.192 981 H ALA 50 H ALA 50 -15.911 -22.283 -28.062 982 HA ALA 50 HA ALA 50 -17.796 -24.209 -28.571 983 HB1 ALA 50 1HB ALA 50 -15.706 -23.934 -29.887 984 HB2 ALA 50 2HB ALA 50 -15.919 -25.622 -29.404 985 HB3 ALA 50 3HB ALA 50 -14.773 -24.591 -28.541 986 H ILE 51 H ILE 51 -18.754 -25.667 -27.276 987 HA ILE 51 HA ILE 51 -18.147 -25.985 -24.546 988 HB ILE 51 HB ILE 51 -20.018 -27.735 -24.583 989 HG12 ILE 51 2HG1 ILE 51 -21.496 -27.563 -26.759 990 HG13 ILE 51 3HG1 ILE 51 -20.013 -27.071 -27.570 991 HG21 ILE 51 1HG2 ILE 51 -20.625 -24.987 -25.729 992 HG22 ILE 51 2HG2 ILE 51 -20.436 -25.396 -24.020 993 HG23 ILE 51 3HG2 ILE 51 -21.791 -26.054 -24.937 994 HD11 ILE 51 1HD1 ILE 51 -20.481 -29.687 -26.142 995 HD12 ILE 51 2HD1 ILE 51 -19.008 -29.224 -27.000 996 HD13 ILE 51 3HD1 ILE 51 -20.519 -29.431 -27.887 997 H GLU 52 H GLU 52 -17.028 -27.798 -27.241 998 HA GLU 52 HA GLU 52 -16.027 -30.023 -25.613 999 HB2 GLU 52 2HB GLU 52 -14.933 -30.795 -27.791 1000 HB3 GLU 52 3HB GLU 52 -16.684 -30.774 -27.786 1001 HG2 GLU 52 2HG GLU 52 -15.090 -28.492 -28.977 1002 HG3 GLU 52 3HG GLU 52 -15.429 -29.949 -29.905 1003 H ASP 53 H ASP 53 -15.045 -28.298 -24.268 1004 HA ASP 53 HA ASP 53 -12.755 -26.798 -25.038 1005 HB2 ASP 53 2HB ASP 53 -14.099 -26.209 -23.048 1006 HB3 ASP 53 3HB ASP 53 -13.766 -27.775 -22.324 1007 H GLY 54 H GLY 54 -10.535 -27.241 -24.407 1008 HA2 GLY 54 2HA GLY 54 -9.492 -29.909 -24.757 1009 HA3 GLY 54 3HA GLY 54 -8.604 -28.439 -24.396 1010 H VAL 55 H VAL 55 -10.808 -30.732 -22.873 1011 HA VAL 55 HA VAL 55 -9.458 -30.382 -20.263 1012 HB VAL 55 HB VAL 55 -11.818 -29.786 -20.119 1013 HG11 VAL 55 1HG1 VAL 55 -12.533 -32.526 -21.216 1014 HG12 VAL 55 2HG1 VAL 55 -12.729 -30.985 -22.057 1015 HG13 VAL 55 3HG1 VAL 55 -13.679 -31.322 -20.607 1016 HG21 VAL 55 1HG2 VAL 55 -10.892 -30.944 -18.161 1017 HG22 VAL 55 2HG2 VAL 55 -11.400 -32.501 -18.820 1018 HG23 VAL 55 3HG2 VAL 55 -12.610 -31.306 -18.345 1019 HA PRO 56 HA PRO 56 -8.023 -34.681 -20.920 1020 HB2 PRO 56 2HB PRO 56 -6.593 -34.986 -18.627 1021 HB3 PRO 56 3HB PRO 56 -6.024 -33.905 -19.920 1022 HG2 PRO 56 2HG PRO 56 -7.490 -33.192 -17.390 1023 HG3 PRO 56 3HG PRO 56 -6.054 -32.424 -18.106 1024 HD2 PRO 56 2HD PRO 56 -8.573 -31.417 -18.451 1025 HD3 PRO 56 3HD PRO 56 -7.293 -31.235 -19.672 1026 H GLN 57 H GLN 57 -7.850 -36.594 -18.975 1027 HA GLN 57 HA GLN 57 -10.477 -37.459 -18.551 1028 HB2 GLN 57 2HB GLN 57 -7.879 -38.336 -17.233 1029 HB3 GLN 57 3HB GLN 57 -9.413 -39.130 -16.906 1030 HG2 GLN 57 2HG GLN 57 -7.992 -38.997 -19.592 1031 HG3 GLN 57 3HG GLN 57 -8.181 -40.406 -18.549 1032 HE21 GLN 57 1HE2 GLN 57 -9.814 -38.265 -20.783 1033 HE22 GLN 57 2HE2 GLN 57 -11.199 -39.266 -21.027 1034 HA PRO 58 HA PRO 58 -12.244 -34.702 -15.655 1035 HB2 PRO 58 2HB PRO 58 -13.697 -36.645 -14.094 1036 HB3 PRO 58 3HB PRO 58 -14.279 -35.752 -15.508 1037 HG2 PRO 58 2HG PRO 58 -13.077 -38.487 -15.366 1038 HG3 PRO 58 3HG PRO 58 -14.404 -37.887 -16.392 1039 HD2 PRO 58 2HD PRO 58 -12.031 -38.257 -17.483 1040 HD3 PRO 58 3HD PRO 58 -12.920 -36.758 -17.869 1041 H GLU 59 H GLU 59 -11.234 -37.655 -13.914 1042 HA GLU 59 HA GLU 59 -10.110 -35.990 -11.711 1043 HB2 GLU 59 2HB GLU 59 -10.472 -37.938 -10.240 1044 HB3 GLU 59 3HB GLU 59 -11.987 -37.435 -10.986 1045 HG2 GLU 59 2HG GLU 59 -11.880 -39.276 -12.573 1046 HG3 GLU 59 3HG GLU 59 -10.281 -39.737 -11.996 1047 H ALA 60 H ALA 60 -9.116 -37.551 -14.386 1048 HA ALA 60 HA ALA 60 -7.503 -38.918 -15.150 1049 HB1 ALA 60 1HB ALA 60 -5.248 -38.764 -14.172 1050 HB2 ALA 60 2HB ALA 60 -5.911 -37.949 -12.751 1051 HB3 ALA 60 3HB ALA 60 -5.982 -37.167 -14.331 1052 H LEU 61 H LEU 61 -8.652 -40.796 -14.925 1053 HA LEU 61 HA LEU 61 -8.718 -42.197 -12.344 1054 HB2 LEU 61 2HB LEU 61 -10.562 -43.557 -13.425 1055 HB3 LEU 61 3HB LEU 61 -10.923 -41.868 -13.166 1056 HG LEU 61 HG LEU 61 -9.946 -42.703 -15.905 1057 HD11 LEU 61 1HD1 LEU 61 -11.668 -44.371 -15.400 1058 HD12 LEU 61 2HD1 LEU 61 -12.206 -43.248 -16.644 1059 HD13 LEU 61 3HD1 LEU 61 -12.810 -43.086 -14.992 1060 HD21 LEU 61 1HD2 LEU 61 -10.291 -40.299 -15.412 1061 HD22 LEU 61 2HD2 LEU 61 -11.980 -40.623 -15.021 1062 HD23 LEU 61 3HD2 LEU 61 -11.389 -40.871 -16.668 1063 H GLU 62 H GLU 62 -7.183 -43.653 -12.076 1064 HA GLU 62 HA GLU 62 -6.399 -45.494 -14.234 1065 HB2 GLU 62 2HB GLU 62 -5.302 -45.000 -11.430 1066 HB3 GLU 62 3HB GLU 62 -4.808 -46.377 -12.401 1067 HG2 GLU 62 2HG GLU 62 -3.148 -44.597 -12.539 1068 HG3 GLU 62 3HG GLU 62 -3.891 -44.874 -14.116 Start of MODEL 17 1 H1 MET 1 1H MET 1 -8.954 -14.983 -37.362 2 H2 MET 1 2H MET 1 -9.697 -16.162 -36.413 3 H3 MET 1 3H MET 1 -8.016 -16.141 -36.569 4 HA MET 1 HA MET 1 -7.863 -14.085 -35.398 5 HB2 MET 1 2HB MET 1 -10.895 -14.290 -35.204 6 HB3 MET 1 3HB MET 1 -9.922 -13.046 -34.435 7 HG2 MET 1 2HG MET 1 -9.249 -12.211 -36.652 8 HG3 MET 1 3HG MET 1 -10.238 -13.460 -37.417 9 HE1 MET 1 1HE MET 1 -12.267 -10.128 -38.090 10 HE2 MET 1 2HE MET 1 -11.456 -11.500 -38.844 11 HE3 MET 1 3HE MET 1 -10.513 -10.257 -38.018 12 H GLU 2 H GLU 2 -7.655 -16.962 -34.979 13 HA GLU 2 HA GLU 2 -9.018 -17.611 -32.465 14 HB2 GLU 2 2HB GLU 2 -7.224 -19.564 -33.956 15 HB3 GLU 2 3HB GLU 2 -8.596 -19.903 -32.911 16 HG2 GLU 2 2HG GLU 2 -8.576 -19.072 -35.807 17 HG3 GLU 2 3HG GLU 2 -9.333 -20.474 -35.065 18 H GLU 3 H GLU 3 -7.436 -15.789 -31.700 19 HA GLU 3 HA GLU 3 -4.640 -16.611 -31.337 20 HB2 GLU 3 2HB GLU 3 -6.018 -13.959 -30.734 21 HB3 GLU 3 3HB GLU 3 -4.282 -14.258 -30.630 22 HG2 GLU 3 2HG GLU 3 -4.225 -14.711 -33.071 23 HG3 GLU 3 3HG GLU 3 -5.957 -14.393 -33.165 24 H LEU 4 H LEU 4 -3.618 -16.724 -29.304 25 HA LEU 4 HA LEU 4 -5.151 -17.552 -27.040 26 HB2 LEU 4 2HB LEU 4 -2.208 -16.745 -27.173 27 HB3 LEU 4 3HB LEU 4 -2.968 -17.580 -25.828 28 HG LEU 4 HG LEU 4 -2.529 -18.715 -28.619 29 HD11 LEU 4 1HD1 LEU 4 -0.455 -18.542 -27.309 30 HD12 LEU 4 2HD1 LEU 4 -0.921 -20.221 -27.558 31 HD13 LEU 4 3HD1 LEU 4 -1.195 -19.455 -25.990 32 HD21 LEU 4 1HD2 LEU 4 -3.365 -20.844 -27.718 33 HD22 LEU 4 2HD2 LEU 4 -4.606 -19.595 -27.686 34 HD23 LEU 4 3HD2 LEU 4 -3.776 -20.050 -26.195 35 H SER 5 H SER 5 -6.560 -15.761 -26.802 36 HA SER 5 HA SER 5 -5.549 -13.152 -26.018 37 HB2 SER 5 2HB SER 5 -8.413 -14.199 -26.133 38 HB3 SER 5 3HB SER 5 -7.925 -12.511 -25.968 39 HG SER 5 HG SER 5 -7.960 -14.146 -28.218 40 H GLY 6 H GLY 6 -4.649 -13.157 -24.056 41 HA2 GLY 6 2HA GLY 6 -5.212 -14.842 -21.847 42 HA3 GLY 6 3HA GLY 6 -4.251 -13.366 -21.833 43 H LYS 7 H LYS 7 -7.410 -14.713 -21.450 44 HA LYS 7 HA LYS 7 -9.128 -12.617 -21.318 45 HB2 LYS 7 2HB LYS 7 -10.633 -14.037 -20.034 46 HB3 LYS 7 3HB LYS 7 -9.789 -15.033 -21.204 47 HG2 LYS 7 2HG LYS 7 -9.075 -14.877 -18.250 48 HG3 LYS 7 3HG LYS 7 -10.124 -16.102 -18.954 49 HD2 LYS 7 2HD LYS 7 -7.199 -15.693 -19.687 50 HD3 LYS 7 3HD LYS 7 -7.799 -16.910 -18.559 51 HE2 LYS 7 2HE LYS 7 -8.518 -16.744 -21.504 52 HE3 LYS 7 3HE LYS 7 -7.356 -17.859 -20.795 53 HZ1 LYS 7 1HZ LYS 7 -10.238 -17.779 -20.083 54 HZ2 LYS 7 2HZ LYS 7 -9.100 -18.921 -19.573 55 HZ3 LYS 7 3HZ LYS 7 -9.552 -18.850 -21.196 56 HA PRO 8 HA PRO 8 -7.874 -10.061 -17.929 57 HB2 PRO 8 2HB PRO 8 -10.176 -8.695 -17.347 58 HB3 PRO 8 3HB PRO 8 -9.287 -8.456 -18.863 59 HG2 PRO 8 2HG PRO 8 -11.735 -10.129 -18.377 60 HG3 PRO 8 3HG PRO 8 -11.386 -9.003 -19.711 61 HD2 PRO 8 2HD PRO 8 -11.071 -11.689 -19.979 62 HD3 PRO 8 3HD PRO 8 -10.045 -10.520 -20.841 63 H LEU 9 H LEU 9 -8.729 -9.318 -15.566 64 HA LEU 9 HA LEU 9 -8.325 -11.686 -14.084 65 HB2 LEU 9 2HB LEU 9 -8.515 -10.253 -12.031 66 HB3 LEU 9 3HB LEU 9 -7.350 -9.709 -13.213 67 HG LEU 9 HG LEU 9 -9.081 -7.946 -13.943 68 HD11 LEU 9 1HD1 LEU 9 -11.113 -8.858 -12.949 69 HD12 LEU 9 2HD1 LEU 9 -10.782 -7.248 -12.323 70 HD13 LEU 9 3HD1 LEU 9 -10.434 -8.665 -11.332 71 HD21 LEU 9 1HD2 LEU 9 -7.098 -7.378 -12.630 72 HD22 LEU 9 2HD2 LEU 9 -7.966 -7.738 -11.133 73 HD23 LEU 9 3HD2 LEU 9 -8.479 -6.390 -12.154 74 H SER 10 H SER 10 -9.610 -12.871 -12.711 75 HA SER 10 HA SER 10 -12.444 -12.950 -13.315 76 HB2 SER 10 2HB SER 10 -10.728 -14.687 -11.484 77 HB3 SER 10 3HB SER 10 -12.384 -15.043 -11.979 78 HG SER 10 HG SER 10 -11.104 -16.153 -13.363 79 H TYR 11 H TYR 11 -13.904 -13.506 -11.307 80 HA TYR 11 HA TYR 11 -14.324 -11.183 -9.815 81 HB2 TYR 11 2HB TYR 11 -16.076 -12.902 -10.326 82 HB3 TYR 11 3HB TYR 11 -15.312 -14.007 -9.190 83 HD1 TYR 11 HD1 TYR 11 -17.192 -10.813 -9.475 84 HD2 TYR 11 HD2 TYR 11 -15.746 -13.797 -6.778 85 HE1 TYR 11 HE1 TYR 11 -18.590 -9.876 -7.700 86 HE2 TYR 11 HE2 TYR 11 -17.155 -12.849 -4.989 87 HH TYR 11 HH TYR 11 -18.222 -10.430 -4.552 88 H ALA 12 H ALA 12 -12.841 -14.276 -8.865 89 HA ALA 12 HA ALA 12 -12.280 -13.685 -6.173 90 HB1 ALA 12 1HB ALA 12 -10.721 -15.585 -6.258 91 HB2 ALA 12 2HB ALA 12 -10.795 -15.583 -8.025 92 HB3 ALA 12 3HB ALA 12 -12.232 -15.972 -7.079 93 H GLU 13 H GLU 13 -10.404 -13.134 -9.135 94 HA GLU 13 HA GLU 13 -7.987 -12.339 -7.844 95 HB2 GLU 13 2HB GLU 13 -8.905 -11.747 -10.690 96 HB3 GLU 13 3HB GLU 13 -7.257 -11.614 -10.084 97 HG2 GLU 13 2HG GLU 13 -8.882 -14.137 -10.482 98 HG3 GLU 13 3HG GLU 13 -7.416 -13.651 -11.331 99 H LYS 14 H LYS 14 -10.814 -10.612 -9.050 100 HA LYS 14 HA LYS 14 -9.881 -7.961 -8.803 101 HB2 LYS 14 2HB LYS 14 -11.934 -8.575 -10.064 102 HB3 LYS 14 3HB LYS 14 -12.726 -9.014 -8.558 103 HG2 LYS 14 2HG LYS 14 -12.254 -6.542 -7.839 104 HG3 LYS 14 3HG LYS 14 -11.952 -6.261 -9.553 105 HD2 LYS 14 2HD LYS 14 -14.535 -7.209 -8.266 106 HD3 LYS 14 3HD LYS 14 -14.245 -5.660 -9.058 107 HE2 LYS 14 2HE LYS 14 -13.911 -6.896 -11.213 108 HE3 LYS 14 3HE LYS 14 -14.341 -8.389 -10.385 109 HZ1 LYS 14 1HZ LYS 14 -16.089 -6.019 -10.755 110 HZ2 LYS 14 2HZ LYS 14 -16.494 -7.378 -9.839 111 HZ3 LYS 14 3HZ LYS 14 -16.250 -7.527 -11.505 112 H GLU 15 H GLU 15 -11.917 -9.978 -6.629 113 HA GLU 15 HA GLU 15 -12.211 -8.025 -4.621 114 HB2 GLU 15 2HB GLU 15 -13.100 -9.797 -3.164 115 HB3 GLU 15 3HB GLU 15 -13.797 -9.883 -4.776 116 HG2 GLU 15 2HG GLU 15 -12.572 -11.835 -5.324 117 HG3 GLU 15 3HG GLU 15 -11.458 -11.620 -3.984 118 H LYS 16 H LYS 16 -9.793 -10.648 -4.953 119 HA LYS 16 HA LYS 16 -8.586 -10.222 -2.395 120 HB2 LYS 16 2HB LYS 16 -6.805 -11.685 -3.079 121 HB3 LYS 16 3HB LYS 16 -8.308 -12.351 -3.700 122 HG2 LYS 16 2HG LYS 16 -7.766 -11.436 -5.950 123 HG3 LYS 16 3HG LYS 16 -6.245 -10.811 -5.316 124 HD2 LYS 16 2HD LYS 16 -5.904 -12.921 -6.551 125 HD3 LYS 16 3HD LYS 16 -5.470 -13.105 -4.851 126 HE2 LYS 16 2HE LYS 16 -7.574 -14.268 -4.408 127 HE3 LYS 16 3HE LYS 16 -8.117 -13.971 -6.061 128 HZ1 LYS 16 1HZ LYS 16 -6.386 -15.385 -6.890 129 HZ2 LYS 16 2HZ LYS 16 -7.259 -16.229 -5.713 130 HZ3 LYS 16 3HZ LYS 16 -5.738 -15.594 -5.344 131 H LEU 17 H LEU 17 -8.121 -8.827 -5.602 132 HA LEU 17 HA LEU 17 -5.681 -7.480 -4.961 133 HB2 LEU 17 2HB LEU 17 -6.390 -8.103 -7.276 134 HB3 LEU 17 3HB LEU 17 -7.635 -6.865 -7.199 135 HG LEU 17 HG LEU 17 -5.957 -5.093 -7.070 136 HD11 LEU 17 1HD1 LEU 17 -4.300 -6.172 -5.669 137 HD12 LEU 17 2HD1 LEU 17 -3.542 -5.595 -7.154 138 HD13 LEU 17 3HD1 LEU 17 -3.892 -7.308 -6.964 139 HD21 LEU 17 1HD2 LEU 17 -4.868 -5.324 -9.256 140 HD22 LEU 17 2HD2 LEU 17 -6.542 -5.870 -9.326 141 HD23 LEU 17 3HD2 LEU 17 -5.233 -7.053 -9.274 142 H LYS 18 H LYS 18 -9.116 -6.450 -4.974 143 HA LYS 18 HA LYS 18 -8.446 -3.685 -4.502 144 HB2 LYS 18 2HB LYS 18 -10.884 -3.303 -4.346 145 HB3 LYS 18 3HB LYS 18 -10.439 -4.195 -5.787 146 HG2 LYS 18 2HG LYS 18 -12.366 -5.300 -5.143 147 HG3 LYS 18 3HG LYS 18 -11.125 -6.309 -4.401 148 HD2 LYS 18 2HD LYS 18 -11.508 -5.037 -2.243 149 HD3 LYS 18 3HD LYS 18 -12.855 -4.215 -3.027 150 HE2 LYS 18 2HE LYS 18 -14.019 -6.344 -3.307 151 HE3 LYS 18 3HE LYS 18 -12.644 -7.212 -2.615 152 HZ1 LYS 18 1HZ LYS 18 -14.279 -6.924 -0.938 153 HZ2 LYS 18 2HZ LYS 18 -14.405 -5.265 -1.231 154 HZ3 LYS 18 3HZ LYS 18 -12.989 -5.902 -0.562 155 H GLU 19 H GLU 19 -9.254 -6.461 -2.477 156 HA GLU 19 HA GLU 19 -9.495 -4.932 -0.040 157 HB2 GLU 19 2HB GLU 19 -9.558 -7.018 1.147 158 HB3 GLU 19 3HB GLU 19 -10.473 -7.250 -0.337 159 HG2 GLU 19 2HG GLU 19 -8.496 -8.379 -1.342 160 HG3 GLU 19 3HG GLU 19 -7.649 -8.211 0.191 161 H LYS 20 H LYS 20 -6.851 -6.592 -1.798 162 HA LYS 20 HA LYS 20 -4.730 -6.050 -0.069 163 HB2 LYS 20 2HB LYS 20 -3.969 -7.314 -1.844 164 HB3 LYS 20 3HB LYS 20 -4.955 -6.460 -3.018 165 HG2 LYS 20 2HG LYS 20 -3.390 -4.628 -3.132 166 HG3 LYS 20 3HG LYS 20 -2.454 -5.264 -1.773 167 HD2 LYS 20 2HD LYS 20 -2.755 -6.629 -4.472 168 HD3 LYS 20 3HD LYS 20 -1.382 -5.631 -3.996 169 HE2 LYS 20 2HE LYS 20 -0.942 -7.243 -2.115 170 HE3 LYS 20 3HE LYS 20 -2.225 -8.272 -2.762 171 HZ1 LYS 20 1HZ LYS 20 -0.984 -8.453 -4.831 172 HZ2 LYS 20 2HZ LYS 20 -0.046 -8.983 -3.527 173 HZ3 LYS 20 3HZ LYS 20 0.244 -7.464 -4.211 174 H LEU 21 H LEU 21 -6.179 -3.953 -2.566 175 HA LEU 21 HA LEU 21 -4.391 -1.787 -2.321 176 HB2 LEU 21 2HB LEU 21 -7.287 -1.689 -3.267 177 HB3 LEU 21 3HB LEU 21 -6.060 -0.471 -3.577 178 HG LEU 21 HG LEU 21 -6.197 -3.272 -4.724 179 HD11 LEU 21 1HD1 LEU 21 -7.644 -1.677 -5.829 180 HD12 LEU 21 2HD1 LEU 21 -6.330 -2.180 -6.886 181 HD13 LEU 21 3HD1 LEU 21 -6.279 -0.593 -6.109 182 HD21 LEU 21 1HD2 LEU 21 -3.921 -1.312 -5.095 183 HD22 LEU 21 2HD2 LEU 21 -4.125 -2.853 -5.927 184 HD23 LEU 21 3HD2 LEU 21 -3.858 -2.826 -4.189 185 H ALA 22 H ALA 22 -7.503 -2.463 -0.785 186 HA ALA 22 HA ALA 22 -7.769 -0.021 0.671 187 HB1 ALA 22 1HB ALA 22 -9.590 -1.198 1.855 188 HB2 ALA 22 2HB ALA 22 -9.067 -2.738 1.163 189 HB3 ALA 22 3HB ALA 22 -9.696 -1.466 0.114 190 H PHE 23 H PHE 23 -6.386 -3.200 1.434 191 HA PHE 23 HA PHE 23 -6.002 -2.850 4.227 192 HB2 PHE 23 2HB PHE 23 -5.989 -5.088 3.234 193 HB3 PHE 23 3HB PHE 23 -4.615 -4.685 2.220 194 HD1 PHE 23 HD1 PHE 23 -5.588 -4.988 5.844 195 HD2 PHE 23 HD2 PHE 23 -2.449 -5.295 2.946 196 HE1 PHE 23 HE1 PHE 23 -4.074 -5.897 7.564 197 HE2 PHE 23 HE2 PHE 23 -0.948 -6.191 4.670 198 HZ PHE 23 HZ PHE 23 -1.755 -6.496 6.978 199 H LEU 24 H LEU 24 -3.713 -2.613 1.501 200 HA LEU 24 HA LEU 24 -1.544 -1.736 3.064 201 HB2 LEU 24 2HB LEU 24 -0.354 -1.332 0.976 202 HB3 LEU 24 3HB LEU 24 -1.153 -2.882 0.969 203 HG LEU 24 HG LEU 24 -2.978 -1.710 -0.508 204 HD11 LEU 24 1HD1 LEU 24 -2.207 0.148 -1.901 205 HD12 LEU 24 2HD1 LEU 24 -0.726 0.266 -0.952 206 HD13 LEU 24 3HD1 LEU 24 -2.285 0.612 -0.205 207 HD21 LEU 24 1HD2 LEU 24 -1.736 -2.176 -2.575 208 HD22 LEU 24 2HD2 LEU 24 -1.470 -3.437 -1.376 209 HD23 LEU 24 3HD2 LEU 24 -0.217 -2.228 -1.669 210 H LYS 25 H LYS 25 -4.124 -0.002 1.397 211 HA LYS 25 HA LYS 25 -2.996 2.616 1.541 212 HB2 LYS 25 2HB LYS 25 -4.725 2.207 -0.065 213 HB3 LYS 25 3HB LYS 25 -5.838 1.605 1.159 214 HG2 LYS 25 2HG LYS 25 -6.121 3.847 2.068 215 HG3 LYS 25 3HG LYS 25 -4.903 4.491 0.967 216 HD2 LYS 25 2HD LYS 25 -7.560 3.263 0.138 217 HD3 LYS 25 3HD LYS 25 -7.222 4.993 0.223 218 HE2 LYS 25 2HE LYS 25 -5.485 4.728 -1.525 219 HE3 LYS 25 3HE LYS 25 -5.850 3.002 -1.615 220 HZ1 LYS 25 1HZ LYS 25 -6.955 4.247 -3.363 221 HZ2 LYS 25 2HZ LYS 25 -7.751 5.200 -2.222 222 HZ3 LYS 25 3HZ LYS 25 -8.087 3.548 -2.325 223 H LYS 26 H LYS 26 -5.337 0.898 3.654 224 HA LYS 26 HA LYS 26 -5.904 3.144 5.301 225 HB2 LYS 26 2HB LYS 26 -7.014 1.595 6.837 226 HB3 LYS 26 3HB LYS 26 -7.446 1.205 5.179 227 HG2 LYS 26 2HG LYS 26 -5.969 -0.715 5.178 228 HG3 LYS 26 3HG LYS 26 -5.332 -0.283 6.765 229 HD2 LYS 26 2HD LYS 26 -7.604 -0.686 7.743 230 HD3 LYS 26 3HD LYS 26 -8.171 -1.202 6.151 231 HE2 LYS 26 2HE LYS 26 -6.627 -3.083 6.156 232 HE3 LYS 26 3HE LYS 26 -5.882 -2.520 7.657 233 HZ1 LYS 26 1HZ LYS 26 -7.458 -4.319 8.029 234 HZ2 LYS 26 2HZ LYS 26 -8.706 -3.386 7.377 235 HZ3 LYS 26 3HZ LYS 26 -7.947 -2.904 8.804 236 H GLU 27 H GLU 27 -3.631 0.394 5.622 237 HA GLU 27 HA GLU 27 -2.608 1.217 8.160 238 HB2 GLU 27 2HB GLU 27 -0.914 -0.466 7.939 239 HB3 GLU 27 3HB GLU 27 -2.410 -1.139 7.306 240 HG2 GLU 27 2HG GLU 27 -1.640 -0.951 5.038 241 HG3 GLU 27 3HG GLU 27 -0.247 0.014 5.518 242 H TYR 28 H TYR 28 -1.649 1.806 4.775 243 HA TYR 28 HA TYR 28 0.806 3.075 5.066 244 HB2 TYR 28 2HB TYR 28 -0.017 2.543 2.853 245 HB3 TYR 28 3HB TYR 28 -1.445 3.542 3.061 246 HD1 TYR 28 HD1 TYR 28 2.205 3.588 2.375 247 HD2 TYR 28 HD2 TYR 28 -1.348 5.949 2.622 248 HE1 TYR 28 HE1 TYR 28 3.363 5.445 1.262 249 HE2 TYR 28 HE2 TYR 28 -0.192 7.802 1.509 250 HH TYR 28 HH TYR 28 2.119 8.596 1.196 251 H SER 29 H SER 29 -2.437 4.516 5.112 252 HA SER 29 HA SER 29 -1.608 7.193 5.392 253 HB2 SER 29 2HB SER 29 -3.834 6.550 4.528 254 HB3 SER 29 3HB SER 29 -4.278 5.919 6.114 255 HG SER 29 HG SER 29 -4.988 8.123 5.590 256 H ARG 30 H ARG 30 -2.780 4.813 7.822 257 HA ARG 30 HA ARG 30 -2.597 6.585 10.053 258 HB2 ARG 30 2HB ARG 30 -2.714 3.549 9.879 259 HB3 ARG 30 3HB ARG 30 -2.758 4.426 11.410 260 HG2 ARG 30 2HG ARG 30 -4.811 5.612 10.638 261 HG3 ARG 30 3HG ARG 30 -4.789 4.641 9.163 262 HD2 ARG 30 2HD ARG 30 -5.186 2.614 10.411 263 HD3 ARG 30 3HD ARG 30 -4.945 3.443 11.953 264 HE ARG 30 HE ARG 30 -7.307 3.502 10.249 265 HH11 ARG 30 1HH1 ARG 30 -5.702 4.909 13.065 266 HH12 ARG 30 2HH1 ARG 30 -7.173 5.583 13.701 267 HH21 ARG 30 1HH2 ARG 30 -9.190 4.417 11.080 268 HH22 ARG 30 2HH2 ARG 30 -9.141 5.301 12.575 269 H THR 31 H THR 31 -0.311 4.271 8.669 270 HA THR 31 HA THR 31 1.526 4.416 10.876 271 HB THR 31 HB THR 31 1.161 2.338 9.420 272 HG1 THR 31 HG1 THR 31 3.667 3.368 10.230 273 HG21 THR 31 1HG2 THR 31 1.463 3.393 7.189 274 HG22 THR 31 2HG2 THR 31 2.600 2.071 7.454 275 HG23 THR 31 3HG2 THR 31 3.146 3.742 7.593 276 H LEU 32 H LEU 32 1.201 5.966 7.748 277 HA LEU 32 HA LEU 32 3.772 7.252 7.755 278 HB2 LEU 32 2HB LEU 32 2.452 6.861 5.688 279 HB3 LEU 32 3HB LEU 32 1.230 7.987 6.237 280 HG LEU 32 HG LEU 32 4.075 8.992 5.869 281 HD11 LEU 32 1HD1 LEU 32 3.620 7.769 3.789 282 HD12 LEU 32 2HD1 LEU 32 3.682 9.508 3.514 283 HD13 LEU 32 3HD1 LEU 32 2.122 8.679 3.569 284 HD21 LEU 32 1HD2 LEU 32 2.439 10.538 6.849 285 HD22 LEU 32 2HD2 LEU 32 1.383 10.332 5.453 286 HD23 LEU 32 3HD2 LEU 32 2.958 11.109 5.262 287 H ALA 33 H ALA 33 0.499 8.053 8.838 288 HA ALA 33 HA ALA 33 0.795 10.725 9.586 289 HB1 ALA 33 1HB ALA 33 -0.913 8.582 10.919 290 HB2 ALA 33 2HB ALA 33 -1.367 9.533 9.497 291 HB3 ALA 33 3HB ALA 33 -1.148 10.334 11.052 292 H ARG 34 H ARG 34 1.209 7.798 11.592 293 HA ARG 34 HA ARG 34 2.182 9.144 13.907 294 HB2 ARG 34 2HB ARG 34 2.637 6.908 14.812 295 HB3 ARG 34 3HB ARG 34 1.041 6.982 14.075 296 HG2 ARG 34 2HG ARG 34 1.959 5.880 12.045 297 HG3 ARG 34 3HG ARG 34 3.518 5.737 12.855 298 HD2 ARG 34 2HD ARG 34 0.920 4.465 13.759 299 HD3 ARG 34 3HD ARG 34 2.249 3.639 12.939 300 HE ARG 34 HE ARG 34 2.996 4.973 15.400 301 HH11 ARG 34 1HH1 ARG 34 1.907 1.914 14.018 302 HH12 ARG 34 2HH1 ARG 34 2.507 0.976 15.350 303 HH21 ARG 34 1HH2 ARG 34 3.779 3.719 17.116 304 HH22 ARG 34 2HH2 ARG 34 3.560 1.996 17.096 305 H LEU 35 H LEU 35 3.809 7.652 11.103 306 HA LEU 35 HA LEU 35 6.493 7.781 11.895 307 HB2 LEU 35 2HB LEU 35 5.491 6.855 9.706 308 HB3 LEU 35 3HB LEU 35 5.486 8.492 9.101 309 HG LEU 35 HG LEU 35 8.030 6.998 9.906 310 HD11 LEU 35 1HD1 LEU 35 8.450 6.609 7.523 311 HD12 LEU 35 2HD1 LEU 35 6.883 7.311 7.115 312 HD13 LEU 35 3HD1 LEU 35 6.966 5.818 8.050 313 HD21 LEU 35 1HD2 LEU 35 8.358 9.425 9.902 314 HD22 LEU 35 2HD2 LEU 35 7.721 9.531 8.260 315 HD23 LEU 35 3HD2 LEU 35 9.239 8.679 8.569 316 H GLN 36 H GLN 36 4.371 10.301 10.521 317 HA GLN 36 HA GLN 36 6.322 12.380 10.472 318 HB2 GLN 36 2HB GLN 36 3.286 12.660 10.509 319 HB3 GLN 36 3HB GLN 36 4.436 13.915 10.053 320 HG2 GLN 36 2HG GLN 36 3.803 11.362 8.566 321 HG3 GLN 36 3HG GLN 36 3.493 13.008 8.047 322 HE21 GLN 36 1HE2 GLN 36 5.012 10.775 6.798 323 HE22 GLN 36 2HE2 GLN 36 6.563 11.429 6.424 324 H ARG 37 H ARG 37 3.833 11.413 12.826 325 HA ARG 37 HA ARG 37 4.215 13.588 14.626 326 HB2 ARG 37 2HB ARG 37 3.033 10.818 15.095 327 HB3 ARG 37 3HB ARG 37 2.956 12.137 16.263 328 HG2 ARG 37 2HG ARG 37 1.701 12.115 13.498 329 HG3 ARG 37 3HG ARG 37 0.848 11.965 15.033 330 HD2 ARG 37 2HD ARG 37 1.510 14.262 15.642 331 HD3 ARG 37 3HD ARG 37 2.432 14.405 14.142 332 HE ARG 37 HE ARG 37 -0.200 13.764 13.462 333 HH11 ARG 37 1HH1 ARG 37 1.533 16.471 14.914 334 HH12 ARG 37 2HH1 ARG 37 0.400 17.656 14.353 335 HH21 ARG 37 1HH2 ARG 37 -1.656 15.340 12.711 336 HH22 ARG 37 2HH2 ARG 37 -1.406 17.013 13.103 337 H ALA 38 H ALA 38 5.941 10.624 14.133 338 HA ALA 38 HA ALA 38 7.423 10.591 16.588 339 HB1 ALA 38 1HB ALA 38 8.036 9.276 13.915 340 HB2 ALA 38 2HB ALA 38 7.090 8.563 15.220 341 HB3 ALA 38 3HB ALA 38 8.805 8.891 15.461 342 H LYS 39 H LYS 39 8.264 11.531 13.230 343 HA LYS 39 HA LYS 39 10.926 12.379 13.940 344 HB2 LYS 39 2HB LYS 39 11.194 12.883 11.535 345 HB3 LYS 39 3HB LYS 39 10.539 11.272 11.802 346 HG2 LYS 39 2HG LYS 39 8.319 11.988 11.144 347 HG3 LYS 39 3HG LYS 39 8.829 13.672 11.055 348 HD2 LYS 39 2HD LYS 39 9.864 11.436 9.261 349 HD3 LYS 39 3HD LYS 39 8.615 12.599 8.815 350 HE2 LYS 39 2HE LYS 39 10.224 14.443 9.034 351 HE3 LYS 39 3HE LYS 39 11.480 13.308 9.535 352 HZ1 LYS 39 1HZ LYS 39 10.109 13.279 6.900 353 HZ2 LYS 39 2HZ LYS 39 11.371 12.261 7.380 354 HZ3 LYS 39 3HZ LYS 39 11.649 13.917 7.188 355 H ARG 40 H ARG 40 7.931 14.114 13.142 356 HA ARG 40 HA ARG 40 9.212 16.688 12.803 357 HB2 ARG 40 2HB ARG 40 6.250 15.993 13.035 358 HB3 ARG 40 3HB ARG 40 6.880 17.582 12.611 359 HG2 ARG 40 2HG ARG 40 7.832 16.662 10.532 360 HG3 ARG 40 3HG ARG 40 7.241 15.053 10.964 361 HD2 ARG 40 2HD ARG 40 4.906 15.917 10.908 362 HD3 ARG 40 3HD ARG 40 5.516 17.504 10.421 363 HE ARG 40 HE ARG 40 6.495 15.650 8.599 364 HH11 ARG 40 1HH1 ARG 40 3.324 16.834 9.557 365 HH12 ARG 40 2HH1 ARG 40 2.622 16.542 8.000 366 HH21 ARG 40 1HH2 ARG 40 5.556 15.255 6.574 367 HH22 ARG 40 2HH2 ARG 40 3.890 15.648 6.311 368 H ALA 41 H ALA 41 7.186 15.152 15.290 369 HA ALA 41 HA ALA 41 7.123 17.517 16.972 370 HB1 ALA 41 1HB ALA 41 5.155 16.048 16.796 371 HB2 ALA 41 2HB ALA 41 5.731 16.159 18.458 372 HB3 ALA 41 3HB ALA 41 6.076 14.717 17.501 373 H GLU 42 H GLU 42 8.349 14.158 17.319 374 HA GLU 42 HA GLU 42 9.837 13.131 18.669 375 HB2 GLU 42 2HB GLU 42 11.290 15.804 18.544 376 HB3 GLU 42 3HB GLU 42 12.013 14.290 19.086 377 HG2 GLU 42 2HG GLU 42 11.639 13.302 16.856 378 HG3 GLU 42 3HG GLU 42 10.892 14.799 16.312 379 H LYS 43 H LYS 43 7.605 14.559 19.847 380 HA LYS 43 HA LYS 43 7.927 15.476 22.435 381 HB2 LYS 43 2HB LYS 43 5.616 14.773 22.823 382 HB3 LYS 43 3HB LYS 43 5.745 15.374 21.183 383 HG2 LYS 43 2HG LYS 43 5.721 12.429 21.920 384 HG3 LYS 43 3HG LYS 43 4.292 13.332 21.431 385 HD2 LYS 43 2HD LYS 43 5.196 13.669 19.195 386 HD3 LYS 43 3HD LYS 43 6.760 13.006 19.676 387 HE2 LYS 43 2HE LYS 43 5.505 11.380 18.355 388 HE3 LYS 43 3HE LYS 43 5.717 10.791 20.003 389 HZ1 LYS 43 1HZ LYS 43 3.481 10.379 19.215 390 HZ2 LYS 43 2HZ LYS 43 3.249 12.022 18.883 391 HZ3 LYS 43 3HZ LYS 43 3.440 11.504 20.479 392 H ALA 44 H ALA 44 8.059 12.167 21.222 393 HA ALA 44 HA ALA 44 7.851 10.848 23.763 394 HB1 ALA 44 1HB ALA 44 8.124 8.796 22.430 395 HB2 ALA 44 2HB ALA 44 8.555 9.765 21.021 396 HB3 ALA 44 3HB ALA 44 6.934 9.878 21.701 397 H LYS 45 H LYS 45 10.384 12.458 22.310 398 HA LYS 45 HA LYS 45 12.647 10.975 23.112 399 HB2 LYS 45 2HB LYS 45 12.801 12.820 21.502 400 HB3 LYS 45 3HB LYS 45 12.264 13.967 22.723 401 HG2 LYS 45 2HG LYS 45 14.328 13.738 23.960 402 HG3 LYS 45 3HG LYS 45 14.820 12.368 22.959 403 HD2 LYS 45 2HD LYS 45 16.052 14.384 22.312 404 HD3 LYS 45 3HD LYS 45 15.014 13.845 20.994 405 HE2 LYS 45 2HE LYS 45 13.400 15.616 21.487 406 HE3 LYS 45 3HE LYS 45 14.322 16.094 22.921 407 HZ1 LYS 45 1HZ LYS 45 14.826 17.563 21.086 408 HZ2 LYS 45 2HZ LYS 45 15.267 16.261 20.103 409 HZ3 LYS 45 3HZ LYS 45 16.195 16.642 21.461 410 H ASN 46 H ASN 46 10.799 13.564 24.675 411 HA ASN 46 HA ASN 46 10.524 14.336 26.734 412 HB2 ASN 46 2HB ASN 46 9.571 11.963 26.855 413 HB3 ASN 46 3HB ASN 46 11.056 11.484 27.668 414 HD21 ASN 46 1HD2 ASN 46 11.512 12.436 29.704 415 HD22 ASN 46 2HD2 ASN 46 10.241 13.010 30.731 416 H SER 47 H SER 47 12.862 15.094 25.886 417 HA SER 47 HA SER 47 15.000 14.517 27.785 418 HB2 SER 47 2HB SER 47 16.293 16.149 26.343 419 HB3 SER 47 3HB SER 47 15.646 14.769 25.465 420 HG SER 47 HG SER 47 15.005 17.458 25.284 421 H LYS 48 H LYS 48 13.444 15.252 29.498 422 HA LYS 48 HA LYS 48 13.639 18.162 30.035 423 HB2 LYS 48 2HB LYS 48 11.695 16.169 31.283 424 HB3 LYS 48 3HB LYS 48 11.710 17.907 31.550 425 HG2 LYS 48 2HG LYS 48 11.031 16.522 28.933 426 HG3 LYS 48 3HG LYS 48 9.868 17.193 30.077 427 HD2 LYS 48 2HD LYS 48 10.907 19.462 29.700 428 HD3 LYS 48 3HD LYS 48 11.922 18.737 28.446 429 HE2 LYS 48 2HE LYS 48 8.883 18.856 28.438 430 HE3 LYS 48 3HE LYS 48 9.964 19.842 27.453 431 HZ1 LYS 48 1HZ LYS 48 10.721 17.850 26.334 432 HZ2 LYS 48 2HZ LYS 48 9.040 17.968 26.229 433 HZ3 LYS 48 3HZ LYS 48 9.741 16.885 27.312 434 H LYS 49 H LYS 49 13.262 15.198 31.883 435 HA LYS 49 HA LYS 49 15.737 15.446 33.351 436 HB2 LYS 49 2HB LYS 49 14.078 17.036 34.505 437 HB3 LYS 49 3HB LYS 49 13.092 15.632 34.871 438 HG2 LYS 49 2HG LYS 49 15.044 14.696 36.187 439 HG3 LYS 49 3HG LYS 49 15.887 16.225 35.919 440 HD2 LYS 49 2HD LYS 49 14.848 16.296 38.118 441 HD3 LYS 49 3HD LYS 49 13.982 17.413 37.060 442 HE2 LYS 49 2HE LYS 49 12.300 15.519 36.678 443 HE3 LYS 49 3HE LYS 49 13.104 14.668 37.995 444 HZ1 LYS 49 1HZ LYS 49 11.802 17.329 38.187 445 HZ2 LYS 49 2HZ LYS 49 12.588 16.531 39.451 446 HZ3 LYS 49 3HZ LYS 49 11.181 15.874 38.783 447 H ALA 50 H ALA 50 15.867 13.550 34.912 448 HA ALA 50 HA ALA 50 15.101 11.072 33.831 449 HB1 ALA 50 1HB ALA 50 15.961 10.171 35.998 450 HB2 ALA 50 2HB ALA 50 16.046 11.819 36.620 451 HB3 ALA 50 3HB ALA 50 17.063 11.337 35.262 452 H ILE 51 H ILE 51 13.044 10.387 33.705 453 HA ILE 51 HA ILE 51 10.870 11.437 35.199 454 HB ILE 51 HB ILE 51 9.501 9.620 34.022 455 HG12 ILE 51 2HG1 ILE 51 10.858 8.638 31.944 456 HG13 ILE 51 3HG1 ILE 51 12.263 8.859 32.977 457 HG21 ILE 51 1HG2 ILE 51 9.698 10.723 31.816 458 HG22 ILE 51 2HG2 ILE 51 11.222 11.454 32.319 459 HG23 ILE 51 3HG2 ILE 51 9.721 11.892 33.141 460 HD11 ILE 51 1HD1 ILE 51 9.861 7.143 33.594 461 HD12 ILE 51 2HD1 ILE 51 11.287 7.331 34.619 462 HD13 ILE 51 3HD1 ILE 51 11.433 6.579 33.032 463 H GLU 52 H GLU 52 12.969 8.782 35.874 464 HA GLU 52 HA GLU 52 11.409 8.250 38.326 465 HB2 GLU 52 2HB GLU 52 12.098 5.915 38.325 466 HB3 GLU 52 3HB GLU 52 11.248 6.287 36.839 467 HG2 GLU 52 2HG GLU 52 12.943 4.967 36.026 468 HG3 GLU 52 3HG GLU 52 13.679 6.554 35.846 469 H ASP 53 H ASP 53 12.759 7.516 40.160 470 HA ASP 53 HA ASP 53 15.503 8.586 40.163 471 HB2 ASP 53 2HB ASP 53 14.000 10.464 40.864 472 HB3 ASP 53 3HB ASP 53 13.351 9.465 42.155 473 H GLY 54 H GLY 54 16.283 6.522 40.438 474 HA2 GLY 54 2HA GLY 54 17.326 4.972 41.748 475 HA3 GLY 54 3HA GLY 54 16.609 5.725 43.161 476 H VAL 55 H VAL 55 14.453 4.653 40.659 477 HA VAL 55 HA VAL 55 13.643 2.357 42.342 478 HB VAL 55 HB VAL 55 12.064 4.207 42.629 479 HG11 VAL 55 1HG1 VAL 55 10.655 5.065 40.822 480 HG12 VAL 55 2HG1 VAL 55 11.527 4.065 39.656 481 HG13 VAL 55 3HG1 VAL 55 12.366 5.373 40.496 482 HG21 VAL 55 1HG2 VAL 55 11.190 1.917 42.782 483 HG22 VAL 55 2HG2 VAL 55 10.836 1.914 41.053 484 HG23 VAL 55 3HG2 VAL 55 9.958 3.005 42.130 485 HA PRO 56 HA PRO 56 14.346 0.291 38.305 486 HB2 PRO 56 2HB PRO 56 14.780 -2.197 39.251 487 HB3 PRO 56 3HB PRO 56 15.993 -0.922 39.489 488 HG2 PRO 56 2HG PRO 56 13.929 -1.938 41.422 489 HG3 PRO 56 3HG PRO 56 15.657 -1.612 41.699 490 HD2 PRO 56 2HD PRO 56 13.682 0.178 42.376 491 HD3 PRO 56 3HD PRO 56 15.327 0.674 41.937 492 H GLN 57 H GLN 57 13.271 -1.554 37.159 493 HA GLN 57 HA GLN 57 10.462 -1.765 37.519 494 HB2 GLN 57 2HB GLN 57 12.433 -3.395 35.876 495 HB3 GLN 57 3HB GLN 57 10.745 -3.869 35.967 496 HG2 GLN 57 2HG GLN 57 11.016 -2.633 33.949 497 HG3 GLN 57 3HG GLN 57 10.126 -1.604 35.068 498 HE21 GLN 57 1HE2 GLN 57 13.642 -2.137 35.056 499 HE22 GLN 57 2HE2 GLN 57 14.048 -0.515 34.623 500 HA PRO 58 HA PRO 58 9.943 -4.347 41.038 501 HB2 PRO 58 2HB PRO 58 7.817 -6.029 40.233 502 HB3 PRO 58 3HB PRO 58 7.648 -4.381 40.866 503 HG2 PRO 58 2HG PRO 58 7.679 -5.297 38.018 504 HG3 PRO 58 3HG PRO 58 6.660 -4.065 38.790 505 HD2 PRO 58 2HD PRO 58 8.731 -3.330 37.274 506 HD3 PRO 58 3HD PRO 58 8.364 -2.447 38.774 507 H GLU 59 H GLU 59 9.677 -6.418 38.116 508 HA GLU 59 HA GLU 59 11.675 -8.290 39.242 509 HB2 GLU 59 2HB GLU 59 9.014 -9.101 37.965 510 HB3 GLU 59 3HB GLU 59 10.291 -10.226 38.412 511 HG2 GLU 59 2HG GLU 59 9.986 -9.703 40.775 512 HG3 GLU 59 3HG GLU 59 8.806 -8.456 40.381 513 H ALA 60 H ALA 60 9.641 -8.318 36.319 514 HA ALA 60 HA ALA 60 11.836 -8.891 34.558 515 HB1 ALA 60 1HB ALA 60 10.075 -8.850 32.802 516 HB2 ALA 60 2HB ALA 60 8.916 -8.229 33.980 517 HB3 ALA 60 3HB ALA 60 9.600 -9.843 34.180 518 H LEU 61 H LEU 61 13.039 -7.468 33.420 519 HA LEU 61 HA LEU 61 12.599 -4.595 33.762 520 HB2 LEU 61 2HB LEU 61 14.904 -6.033 32.367 521 HB3 LEU 61 3HB LEU 61 14.834 -4.327 32.759 522 HG LEU 61 HG LEU 61 16.286 -5.215 34.387 523 HD11 LEU 61 1HD1 LEU 61 13.613 -5.170 35.792 524 HD12 LEU 61 2HD1 LEU 61 14.604 -3.762 35.402 525 HD13 LEU 61 3HD1 LEU 61 15.204 -4.971 36.534 526 HD21 LEU 61 1HD2 LEU 61 15.929 -7.253 35.703 527 HD22 LEU 61 2HD2 LEU 61 15.917 -7.599 33.976 528 HD23 LEU 61 3HD2 LEU 61 14.397 -7.539 34.868 529 H GLU 62 H GLU 62 13.345 -6.792 31.056 530 HA GLU 62 HA GLU 62 11.295 -5.984 29.321 531 HB2 GLU 62 2HB GLU 62 12.631 -3.871 29.174 532 HB3 GLU 62 3HB GLU 62 14.027 -4.795 28.634 533 HG2 GLU 62 2HG GLU 62 12.880 -5.417 26.576 534 HG3 GLU 62 3HG GLU 62 11.396 -4.644 27.130 535 H1 MET 1 1H MET 1 19.695 10.179 34.491 536 H2 MET 1 2H MET 1 20.432 11.634 34.049 537 H3 MET 1 3H MET 1 20.801 10.209 33.218 538 HA MET 1 HA MET 1 18.165 11.559 33.258 539 HB2 MET 1 2HB MET 1 20.173 11.267 30.966 540 HB3 MET 1 3HB MET 1 18.596 12.036 30.854 541 HG2 MET 1 2HG MET 1 19.353 13.773 32.449 542 HG3 MET 1 3HG MET 1 20.944 13.010 32.494 543 HE1 MET 1 1HE MET 1 21.532 16.336 30.464 544 HE2 MET 1 2HE MET 1 22.050 15.384 31.854 545 HE3 MET 1 3HE MET 1 20.437 16.100 31.824 546 H GLU 2 H GLU 2 16.756 9.880 33.437 547 HA GLU 2 HA GLU 2 17.498 7.217 32.515 548 HB2 GLU 2 2HB GLU 2 14.972 7.982 34.035 549 HB3 GLU 2 3HB GLU 2 15.691 6.384 33.885 550 HG2 GLU 2 2HG GLU 2 16.633 8.717 35.549 551 HG3 GLU 2 3HG GLU 2 16.179 7.111 36.086 552 H GLU 3 H GLU 3 16.949 6.576 30.568 553 HA GLU 3 HA GLU 3 14.930 7.861 28.934 554 HB2 GLU 3 2HB GLU 3 16.841 5.541 28.397 555 HB3 GLU 3 3HB GLU 3 15.756 6.229 27.194 556 HG2 GLU 3 2HG GLU 3 16.927 8.400 27.353 557 HG3 GLU 3 3HG GLU 3 17.992 7.735 28.594 558 H LEU 4 H LEU 4 14.539 4.921 27.690 559 HA LEU 4 HA LEU 4 12.771 3.544 27.511 560 HB2 LEU 4 2HB LEU 4 12.839 3.584 30.560 561 HB3 LEU 4 3HB LEU 4 11.920 2.442 29.600 562 HG LEU 4 HG LEU 4 14.965 2.631 29.637 563 HD11 LEU 4 1HD1 LEU 4 14.921 0.510 30.874 564 HD12 LEU 4 2HD1 LEU 4 13.156 0.547 30.911 565 HD13 LEU 4 3HD1 LEU 4 14.084 1.781 31.766 566 HD21 LEU 4 1HD2 LEU 4 14.940 0.542 28.351 567 HD22 LEU 4 2HD2 LEU 4 14.133 1.832 27.467 568 HD23 LEU 4 3HD2 LEU 4 13.176 0.586 28.272 569 H SER 5 H SER 5 12.317 6.292 27.335 570 HA SER 5 HA SER 5 9.907 7.018 28.794 571 HB2 SER 5 2HB SER 5 11.618 8.591 26.817 572 HB3 SER 5 3HB SER 5 10.309 9.264 27.789 573 HG SER 5 HG SER 5 11.488 8.921 29.625 574 H GLY 6 H GLY 6 9.859 4.909 26.635 575 HA2 GLY 6 2HA GLY 6 8.591 4.226 24.874 576 HA3 GLY 6 3HA GLY 6 7.460 5.509 25.291 577 H LYS 7 H LYS 7 10.757 5.301 24.075 578 HA LYS 7 HA LYS 7 10.843 7.644 22.588 579 HB2 LYS 7 2HB LYS 7 12.884 6.667 21.546 580 HB3 LYS 7 3HB LYS 7 12.854 6.470 23.293 581 HG2 LYS 7 2HG LYS 7 11.968 4.094 22.849 582 HG3 LYS 7 3HG LYS 7 12.438 4.355 21.166 583 HD2 LYS 7 2HD LYS 7 14.279 4.535 23.575 584 HD3 LYS 7 3HD LYS 7 14.176 3.159 22.479 585 HE2 LYS 7 2HE LYS 7 15.087 5.960 21.698 586 HE3 LYS 7 3HE LYS 7 16.142 4.575 21.972 587 HZ1 LYS 7 1HZ LYS 7 15.108 3.443 20.128 588 HZ2 LYS 7 2HZ LYS 7 15.712 4.936 19.626 589 HZ3 LYS 7 3HZ LYS 7 14.057 4.740 19.871 590 HA PRO 8 HA PRO 8 8.520 6.764 18.871 591 HB2 PRO 8 2HB PRO 8 9.660 8.428 17.032 592 HB3 PRO 8 3HB PRO 8 8.758 9.059 18.424 593 HG2 PRO 8 2HG PRO 8 11.732 8.792 18.087 594 HG3 PRO 8 3HG PRO 8 10.794 10.169 18.707 595 HD2 PRO 8 2HD PRO 8 12.020 8.386 20.369 596 HD3 PRO 8 3HD PRO 8 10.510 9.218 20.811 597 H LEU 9 H LEU 9 9.242 6.512 16.205 598 HA LEU 9 HA LEU 9 10.413 3.948 16.181 599 HB2 LEU 9 2HB LEU 9 10.408 4.176 13.645 600 HB3 LEU 9 3HB LEU 9 8.875 4.283 14.469 601 HG LEU 9 HG LEU 9 9.046 6.845 14.190 602 HD11 LEU 9 1HD1 LEU 9 11.405 7.070 13.615 603 HD12 LEU 9 2HD1 LEU 9 10.387 7.694 12.320 604 HD13 LEU 9 3HD1 LEU 9 11.164 6.116 12.152 605 HD21 LEU 9 1HD2 LEU 9 7.491 5.470 12.917 606 HD22 LEU 9 2HD2 LEU 9 8.743 5.129 11.717 607 HD23 LEU 9 3HD2 LEU 9 8.137 6.773 11.919 608 H SER 10 H SER 10 12.421 3.264 16.018 609 HA SER 10 HA SER 10 14.697 5.020 16.033 610 HB2 SER 10 2HB SER 10 14.478 1.979 15.895 611 HB3 SER 10 3HB SER 10 15.973 2.873 16.186 612 HG SER 10 HG SER 10 15.076 2.210 18.139 613 H TYR 11 H TYR 11 16.650 4.187 14.516 614 HA TYR 11 HA TYR 11 16.137 5.081 11.922 615 HB2 TYR 11 2HB TYR 11 18.404 5.083 12.987 616 HB3 TYR 11 3HB TYR 11 18.463 3.329 12.851 617 HD1 TYR 11 HD1 TYR 11 18.402 6.493 10.858 618 HD2 TYR 11 HD2 TYR 11 19.134 2.279 10.760 619 HE1 TYR 11 HE1 TYR 11 19.315 6.699 8.586 620 HE2 TYR 11 HE2 TYR 11 20.046 2.495 8.487 621 HH TYR 11 HH TYR 11 20.718 5.500 7.019 622 H ALA 12 H ALA 12 16.475 1.761 13.153 623 HA ALA 12 HA ALA 12 16.201 0.348 10.727 624 HB1 ALA 12 1HB ALA 12 15.763 -1.618 12.148 625 HB2 ALA 12 2HB ALA 12 15.528 -0.564 13.549 626 HB3 ALA 12 3HB ALA 12 17.112 -0.667 12.773 627 H GLU 13 H GLU 13 13.811 1.461 13.109 628 HA GLU 13 HA GLU 13 11.570 0.082 12.008 629 HB2 GLU 13 2HB GLU 13 11.585 2.516 13.847 630 HB3 GLU 13 3HB GLU 13 10.208 1.459 13.548 631 HG2 GLU 13 2HG GLU 13 12.766 0.812 15.022 632 HG3 GLU 13 3HG GLU 13 11.126 0.836 15.666 633 H LYS 14 H LYS 14 12.929 3.296 11.573 634 HA LYS 14 HA LYS 14 10.897 4.457 10.003 635 HB2 LYS 14 2HB LYS 14 12.730 5.774 11.052 636 HB3 LYS 14 3HB LYS 14 13.887 5.023 9.957 637 HG2 LYS 14 2HG LYS 14 12.391 6.019 8.047 638 HG3 LYS 14 3HG LYS 14 11.709 7.034 9.318 639 HD2 LYS 14 2HD LYS 14 14.595 6.931 8.382 640 HD3 LYS 14 3HD LYS 14 13.461 8.270 8.205 641 HE2 LYS 14 2HE LYS 14 13.435 8.500 10.698 642 HE3 LYS 14 3HE LYS 14 14.666 7.241 10.793 643 HZ1 LYS 14 1HZ LYS 14 14.939 9.879 9.460 644 HZ2 LYS 14 2HZ LYS 14 16.104 8.653 9.404 645 HZ3 LYS 14 3HZ LYS 14 15.709 9.375 10.879 646 H GLU 15 H GLU 15 14.003 2.890 9.066 647 HA GLU 15 HA GLU 15 13.637 3.205 6.289 648 HB2 GLU 15 2HB GLU 15 15.493 1.628 5.954 649 HB3 GLU 15 3HB GLU 15 15.880 2.827 7.181 650 HG2 GLU 15 2HG GLU 15 15.721 1.245 8.934 651 HG3 GLU 15 3HG GLU 15 14.876 0.078 7.923 652 H LYS 16 H LYS 16 12.786 0.459 8.431 653 HA LYS 16 HA LYS 16 11.971 -1.276 6.309 654 HB2 LYS 16 2HB LYS 16 11.043 -2.735 7.979 655 HB3 LYS 16 3HB LYS 16 12.554 -2.097 8.610 656 HG2 LYS 16 2HG LYS 16 11.268 -0.488 10.006 657 HG3 LYS 16 3HG LYS 16 9.767 -1.179 9.391 658 HD2 LYS 16 2HD LYS 16 10.299 -2.057 11.629 659 HD3 LYS 16 3HD LYS 16 10.314 -3.346 10.427 660 HE2 LYS 16 2HE LYS 16 12.748 -3.371 10.421 661 HE3 LYS 16 3HE LYS 16 12.800 -1.945 11.464 662 HZ1 LYS 16 1HZ LYS 16 11.827 -3.193 13.246 663 HZ2 LYS 16 2HZ LYS 16 13.173 -4.044 12.675 664 HZ3 LYS 16 3HZ LYS 16 11.613 -4.553 12.263 665 H LEU 17 H LEU 17 10.348 1.231 8.202 666 HA LEU 17 HA LEU 17 7.710 0.572 7.309 667 HB2 LEU 17 2HB LEU 17 8.219 1.805 9.420 668 HB3 LEU 17 3HB LEU 17 8.710 3.193 8.460 669 HG LEU 17 HG LEU 17 6.433 3.473 7.594 670 HD11 LEU 17 1HD1 LEU 17 5.741 1.160 7.393 671 HD12 LEU 17 2HD1 LEU 17 4.578 2.040 8.387 672 HD13 LEU 17 3HD1 LEU 17 5.742 0.964 9.154 673 HD21 LEU 17 1HD2 LEU 17 5.255 4.072 9.655 674 HD22 LEU 17 2HD2 LEU 17 6.948 4.557 9.730 675 HD23 LEU 17 3HD2 LEU 17 6.403 3.124 10.605 676 H LYS 18 H LYS 18 10.143 2.966 6.203 677 HA LYS 18 HA LYS 18 8.322 4.190 4.340 678 HB2 LYS 18 2HB LYS 18 10.247 5.548 3.601 679 HB3 LYS 18 3HB LYS 18 10.083 5.542 5.345 680 HG2 LYS 18 2HG LYS 18 12.380 5.382 5.093 681 HG3 LYS 18 3HG LYS 18 11.925 3.690 5.283 682 HD2 LYS 18 2HD LYS 18 11.964 3.489 2.750 683 HD3 LYS 18 3HD LYS 18 12.608 5.130 2.686 684 HE2 LYS 18 2HE LYS 18 14.595 4.425 3.929 685 HE3 LYS 18 3HE LYS 18 13.937 2.792 4.098 686 HZ1 LYS 18 1HZ LYS 18 15.481 2.796 2.314 687 HZ2 LYS 18 2HZ LYS 18 14.767 4.143 1.590 688 HZ3 LYS 18 3HZ LYS 18 13.944 2.667 1.628 689 H GLU 19 H GLU 19 10.695 1.567 4.154 690 HA GLU 19 HA GLU 19 10.536 1.334 1.276 691 HB2 GLU 19 2HB GLU 19 11.825 -0.671 1.458 692 HB3 GLU 19 3HB GLU 19 12.478 0.458 2.640 693 HG2 GLU 19 2HG GLU 19 11.181 -0.722 4.419 694 HG3 GLU 19 3HG GLU 19 10.651 -1.888 3.213 695 H LYS 20 H LYS 20 8.791 -0.049 4.060 696 HA LYS 20 HA LYS 20 7.014 -1.718 2.711 697 HB2 LYS 20 2HB LYS 20 6.681 -1.914 4.985 698 HB3 LYS 20 3HB LYS 20 6.917 -0.200 5.281 699 HG2 LYS 20 2HG LYS 20 4.666 0.320 4.593 700 HG3 LYS 20 3HG LYS 20 4.397 -1.327 4.011 701 HD2 LYS 20 2HD LYS 20 4.884 -0.569 6.911 702 HD3 LYS 20 3HD LYS 20 3.292 -0.813 6.193 703 HE2 LYS 20 2HE LYS 20 3.992 -3.176 5.640 704 HE3 LYS 20 3HE LYS 20 5.472 -2.892 6.561 705 HZ1 LYS 20 1HZ LYS 20 4.116 -2.442 8.517 706 HZ2 LYS 20 2HZ LYS 20 3.796 -3.985 7.904 707 HZ3 LYS 20 3HZ LYS 20 2.702 -2.722 7.630 708 H LEU 21 H LEU 21 6.812 1.802 3.296 709 HA LEU 21 HA LEU 21 4.266 2.226 2.164 710 HB2 LEU 21 2HB LEU 21 6.531 4.251 2.391 711 HB3 LEU 21 3HB LEU 21 4.831 4.626 2.157 712 HG LEU 21 HG LEU 21 6.130 3.481 4.646 713 HD11 LEU 21 1HD1 LEU 21 6.420 5.876 4.393 714 HD12 LEU 21 2HD1 LEU 21 5.362 5.505 5.752 715 HD13 LEU 21 3HD1 LEU 21 4.675 6.094 4.232 716 HD21 LEU 21 1HD2 LEU 21 3.165 3.895 4.203 717 HD22 LEU 21 2HD2 LEU 21 3.944 3.441 5.718 718 HD23 LEU 21 3HD2 LEU 21 3.994 2.342 4.347 719 H ALA 22 H ALA 22 7.518 2.405 0.787 720 HA ALA 22 HA ALA 22 6.792 3.369 -1.807 721 HB1 ALA 22 1HB ALA 22 9.119 2.799 -2.415 722 HB2 ALA 22 2HB ALA 22 9.313 1.913 -0.898 723 HB3 ALA 22 3HB ALA 22 9.061 3.660 -0.875 724 H PHE 23 H PHE 23 7.279 0.146 -0.403 725 HA PHE 23 HA PHE 23 7.234 -1.390 -2.791 726 HB2 PHE 23 2HB PHE 23 8.155 -2.320 -0.733 727 HB3 PHE 23 3HB PHE 23 6.623 -2.134 0.102 728 HD1 PHE 23 HD1 PHE 23 8.179 -3.944 -2.801 729 HD2 PHE 23 HD2 PHE 23 5.159 -3.997 0.236 730 HE1 PHE 23 HE1 PHE 23 7.613 -6.266 -3.388 731 HE2 PHE 23 HE2 PHE 23 4.600 -6.312 -0.367 732 HZ PHE 23 HZ PHE 23 5.825 -7.450 -2.175 733 H LEU 24 H LEU 24 4.716 -0.812 -0.335 734 HA LEU 24 HA LEU 24 2.681 -2.162 -1.728 735 HB2 LEU 24 2HB LEU 24 1.125 -1.296 -0.067 736 HB3 LEU 24 3HB LEU 24 2.569 -1.931 0.680 737 HG LEU 24 HG LEU 24 3.317 0.571 0.905 738 HD11 LEU 24 1HD1 LEU 24 1.523 2.225 1.106 739 HD12 LEU 24 2HD1 LEU 24 0.349 1.047 0.516 740 HD13 LEU 24 3HD1 LEU 24 1.645 1.612 -0.539 741 HD21 LEU 24 1HD2 LEU 24 2.135 0.830 3.044 742 HD22 LEU 24 2HD2 LEU 24 2.721 -0.817 2.833 743 HD23 LEU 24 3HD2 LEU 24 1.008 -0.457 2.593 744 H LYS 25 H LYS 25 3.778 1.194 -1.787 745 HA LYS 25 HA LYS 25 1.566 2.298 -3.217 746 HB2 LYS 25 2HB LYS 25 2.983 3.784 -1.978 747 HB3 LYS 25 3HB LYS 25 4.431 3.234 -2.811 748 HG2 LYS 25 2HG LYS 25 3.731 4.343 -4.866 749 HG3 LYS 25 3HG LYS 25 2.186 4.796 -4.145 750 HD2 LYS 25 2HD LYS 25 4.920 5.764 -3.218 751 HD3 LYS 25 3HD LYS 25 3.797 6.691 -4.216 752 HE2 LYS 25 2HE LYS 25 2.147 6.672 -2.373 753 HE3 LYS 25 3HE LYS 25 3.272 5.745 -1.377 754 HZ1 LYS 25 1HZ LYS 25 3.336 8.099 -0.845 755 HZ2 LYS 25 2HZ LYS 25 3.761 8.478 -2.435 756 HZ3 LYS 25 3HZ LYS 25 4.824 7.588 -1.466 757 H LYS 26 H LYS 26 4.760 1.091 -4.321 758 HA LYS 26 HA LYS 26 4.438 1.918 -7.018 759 HB2 LYS 26 2HB LYS 26 6.404 0.565 -7.551 760 HB3 LYS 26 3HB LYS 26 6.677 1.449 -6.055 761 HG2 LYS 26 2HG LYS 26 6.334 -0.554 -4.731 762 HG3 LYS 26 3HG LYS 26 5.846 -1.472 -6.156 763 HD2 LYS 26 2HD LYS 26 8.159 -1.199 -7.079 764 HD3 LYS 26 3HD LYS 26 8.626 -0.352 -5.600 765 HE2 LYS 26 2HE LYS 26 8.176 -2.358 -4.271 766 HE3 LYS 26 3HE LYS 26 7.583 -3.205 -5.704 767 HZ1 LYS 26 1HZ LYS 26 9.858 -3.818 -5.161 768 HZ2 LYS 26 2HZ LYS 26 10.352 -2.214 -5.324 769 HZ3 LYS 26 3HZ LYS 26 9.775 -3.058 -6.669 770 H GLU 27 H GLU 27 3.869 -1.195 -5.349 771 HA GLU 27 HA GLU 27 3.010 -2.580 -7.689 772 HB2 GLU 27 2HB GLU 27 2.323 -4.389 -6.274 773 HB3 GLU 27 3HB GLU 27 3.838 -3.762 -5.639 774 HG2 GLU 27 2HG GLU 27 2.733 -2.727 -3.781 775 HG3 GLU 27 3HG GLU 27 1.140 -3.004 -4.477 776 H TYR 28 H TYR 28 1.337 -0.739 -5.131 777 HA TYR 28 HA TYR 28 -1.336 -1.247 -5.683 778 HB2 TYR 28 2HB TYR 28 -0.739 0.057 -3.733 779 HB3 TYR 28 3HB TYR 28 0.038 1.295 -4.705 780 HD1 TYR 28 HD1 TYR 28 -3.226 -0.055 -3.577 781 HD2 TYR 28 HD2 TYR 28 -1.289 3.100 -5.705 782 HE1 TYR 28 HE1 TYR 28 -5.307 1.243 -3.543 783 HE2 TYR 28 HE2 TYR 28 -3.370 4.400 -5.671 784 HH TYR 28 HH TYR 28 -5.790 3.975 -5.480 785 H SER 29 H SER 29 0.767 1.248 -7.072 786 HA SER 29 HA SER 29 -1.174 2.505 -8.671 787 HB2 SER 29 2HB SER 29 0.951 3.590 -7.999 788 HB3 SER 29 3HB SER 29 1.858 2.462 -9.006 789 HG SER 29 HG SER 29 1.290 4.639 -9.883 790 H ARG 30 H ARG 30 1.360 0.093 -9.511 791 HA ARG 30 HA ARG 30 0.678 -0.093 -12.275 792 HB2 ARG 30 2HB ARG 30 2.226 -1.970 -10.444 793 HB3 ARG 30 3HB ARG 30 2.087 -2.220 -12.184 794 HG2 ARG 30 2HG ARG 30 3.159 -0.000 -12.558 795 HG3 ARG 30 3HG ARG 30 3.362 0.168 -10.813 796 HD2 ARG 30 2HD ARG 30 4.886 -1.706 -10.741 797 HD3 ARG 30 3HD ARG 30 4.545 -2.124 -12.424 798 HE ARG 30 HE ARG 30 6.258 0.013 -11.434 799 HH11 ARG 30 1HH1 ARG 30 4.678 -1.405 -14.248 800 HH12 ARG 30 2HH1 ARG 30 5.696 -0.580 -15.373 801 HH21 ARG 30 1HH2 ARG 30 7.532 1.137 -12.942 802 HH22 ARG 30 2HH2 ARG 30 7.313 0.859 -14.633 803 H THR 31 H THR 31 -0.365 -1.954 -9.459 804 HA THR 31 HA THR 31 -1.649 -4.010 -11.006 805 HB THR 31 HB THR 31 -0.542 -4.374 -8.718 806 HG1 THR 31 HG1 THR 31 -3.075 -5.388 -9.473 807 HG21 THR 31 1HG2 THR 31 -1.695 -2.574 -7.455 808 HG22 THR 31 2HG2 THR 31 -1.962 -4.160 -6.732 809 HG23 THR 31 3HG2 THR 31 -3.234 -3.406 -7.693 810 H LEU 32 H LEU 32 -2.644 -1.054 -9.402 811 HA LEU 32 HA LEU 32 -5.472 -1.451 -9.712 812 HB2 LEU 32 2HB LEU 32 -4.504 0.101 -8.037 813 HB3 LEU 32 3HB LEU 32 -3.889 1.127 -9.316 814 HG LEU 32 HG LEU 32 -6.885 0.650 -9.158 815 HD11 LEU 32 1HD1 LEU 32 -6.275 1.231 -6.848 816 HD12 LEU 32 2HD1 LEU 32 -7.204 2.517 -7.616 817 HD13 LEU 32 3HD1 LEU 32 -5.455 2.686 -7.423 818 HD21 LEU 32 1HD2 LEU 32 -6.026 1.907 -11.079 819 HD22 LEU 32 2HD2 LEU 32 -5.250 3.065 -9.999 820 HD23 LEU 32 3HD2 LEU 32 -7.012 2.946 -10.049 821 H ALA 33 H ALA 33 -2.873 0.053 -11.587 822 HA ALA 33 HA ALA 33 -4.287 1.278 -13.653 823 HB1 ALA 33 1HB ALA 33 -1.574 -0.104 -13.791 824 HB2 ALA 33 2HB ALA 33 -1.863 1.560 -13.261 825 HB3 ALA 33 3HB ALA 33 -2.185 1.104 -14.934 826 H ARG 34 H ARG 34 -2.925 -2.010 -13.539 827 HA ARG 34 HA ARG 34 -4.011 -2.906 -16.006 828 HB2 ARG 34 2HB ARG 34 -3.164 -5.110 -15.388 829 HB3 ARG 34 3HB ARG 34 -1.960 -3.872 -15.057 830 HG2 ARG 34 2HG ARG 34 -2.606 -3.938 -12.655 831 HG3 ARG 34 3HG ARG 34 -3.722 -5.256 -13.014 832 HD2 ARG 34 2HD ARG 34 -0.715 -5.310 -13.405 833 HD3 ARG 34 3HD ARG 34 -1.600 -6.074 -12.078 834 HE ARG 34 HE ARG 34 -2.432 -6.910 -14.729 835 HH11 ARG 34 1HH1 ARG 34 -0.261 -7.637 -12.037 836 HH12 ARG 34 2HH1 ARG 34 -0.059 -9.297 -12.504 837 HH21 ARG 34 1HH2 ARG 34 -2.169 -9.082 -15.295 838 HH22 ARG 34 2HH2 ARG 34 -1.139 -10.106 -14.349 839 H LEU 35 H LEU 35 -5.160 -3.084 -12.638 840 HA LEU 35 HA LEU 35 -7.385 -4.764 -12.908 841 HB2 LEU 35 2HB LEU 35 -6.446 -3.655 -10.779 842 HB3 LEU 35 3HB LEU 35 -7.340 -2.220 -11.217 843 HG LEU 35 HG LEU 35 -8.656 -4.914 -10.599 844 HD11 LEU 35 1HD1 LEU 35 -9.226 -4.017 -8.385 845 HD12 LEU 35 2HD1 LEU 35 -8.293 -2.555 -8.720 846 HD13 LEU 35 3HD1 LEU 35 -7.481 -4.117 -8.606 847 HD21 LEU 35 1HD2 LEU 35 -10.121 -3.458 -11.921 848 HD22 LEU 35 2HD2 LEU 35 -9.902 -2.147 -10.764 849 HD23 LEU 35 3HD2 LEU 35 -10.736 -3.627 -10.279 850 H GLN 36 H GLN 36 -7.013 -1.288 -13.595 851 HA GLN 36 HA GLN 36 -9.705 -0.828 -14.423 852 HB2 GLN 36 2HB GLN 36 -7.226 0.815 -15.105 853 HB3 GLN 36 3HB GLN 36 -8.898 1.348 -15.257 854 HG2 GLN 36 2HG GLN 36 -7.363 0.796 -12.711 855 HG3 GLN 36 3HG GLN 36 -7.974 2.339 -13.277 856 HE21 GLN 36 1HE2 GLN 36 -8.408 0.833 -10.748 857 HE22 GLN 36 2HE2 GLN 36 -10.121 0.704 -10.572 858 H ARG 37 H ARG 37 -6.702 -1.625 -16.169 859 HA ARG 37 HA ARG 37 -7.786 -1.391 -18.802 860 HB2 ARG 37 2HB ARG 37 -5.346 -2.922 -17.803 861 HB3 ARG 37 3HB ARG 37 -5.727 -2.669 -19.506 862 HG2 ARG 37 2HG ARG 37 -5.102 -0.514 -17.466 863 HG3 ARG 37 3HG ARG 37 -4.043 -1.059 -18.767 864 HD2 ARG 37 2HD ARG 37 -5.637 -0.198 -20.442 865 HD3 ARG 37 3HD ARG 37 -6.746 0.287 -19.155 866 HE ARG 37 HE ARG 37 -4.298 1.538 -18.681 867 HH11 ARG 37 1HH1 ARG 37 -6.846 1.635 -21.111 868 HH12 ARG 37 2HH1 ARG 37 -6.563 3.292 -21.514 869 HH21 ARG 37 1HH2 ARG 37 -3.973 3.729 -19.195 870 HH22 ARG 37 2HH2 ARG 37 -4.934 4.482 -20.423 871 H ALA 38 H ALA 38 -7.928 -3.899 -16.431 872 HA ALA 38 HA ALA 38 -8.768 -6.040 -18.151 873 HB1 ALA 38 1HB ALA 38 -9.083 -5.699 -15.147 874 HB2 ALA 38 2HB ALA 38 -7.711 -6.452 -15.958 875 HB3 ALA 38 3HB ALA 38 -9.305 -7.205 -16.048 876 H LYS 39 H LYS 39 -10.495 -3.929 -15.820 877 HA LYS 39 HA LYS 39 -13.075 -5.046 -16.441 878 HB2 LYS 39 2HB LYS 39 -13.945 -3.487 -14.739 879 HB3 LYS 39 3HB LYS 39 -12.554 -4.385 -14.151 880 HG2 LYS 39 2HG LYS 39 -11.112 -2.455 -14.368 881 HG3 LYS 39 3HG LYS 39 -12.364 -1.538 -15.204 882 HD2 LYS 39 2HD LYS 39 -12.527 -2.481 -12.311 883 HD3 LYS 39 3HD LYS 39 -12.079 -0.852 -12.823 884 HE2 LYS 39 2HE LYS 39 -14.294 -0.525 -13.823 885 HE3 LYS 39 3HE LYS 39 -14.751 -2.178 -13.406 886 HZ1 LYS 39 1HZ LYS 39 -14.050 -0.072 -11.434 887 HZ2 LYS 39 2HZ LYS 39 -14.595 -1.633 -11.090 888 HZ3 LYS 39 3HZ LYS 39 -15.625 -0.529 -11.843 889 H ARG 40 H ARG 40 -11.466 -1.988 -17.262 890 HA ARG 40 HA ARG 40 -13.870 -0.695 -18.228 891 HB2 ARG 40 2HB ARG 40 -10.950 0.149 -18.502 892 HB3 ARG 40 3HB ARG 40 -12.330 1.141 -18.968 893 HG2 ARG 40 2HG ARG 40 -13.067 1.232 -16.614 894 HG3 ARG 40 3HG ARG 40 -11.696 0.223 -16.140 895 HD2 ARG 40 2HD ARG 40 -10.141 1.977 -16.959 896 HD3 ARG 40 3HD ARG 40 -11.520 2.990 -17.396 897 HE ARG 40 HE ARG 40 -11.817 2.381 -14.709 898 HH11 ARG 40 1HH1 ARG 40 -9.415 4.071 -16.669 899 HH12 ARG 40 2HH1 ARG 40 -8.934 5.120 -15.374 900 HH21 ARG 40 1HH2 ARG 40 -11.132 3.741 -13.019 901 HH22 ARG 40 2HH2 ARG 40 -9.904 4.930 -13.313 902 H ALA 41 H ALA 41 -11.015 -2.206 -19.706 903 HA ALA 41 HA ALA 41 -11.802 -1.478 -22.408 904 HB1 ALA 41 1HB ALA 41 -9.435 -1.399 -21.761 905 HB2 ALA 41 2HB ALA 41 -9.695 -2.550 -23.072 906 HB3 ALA 41 3HB ALA 41 -9.452 -3.133 -21.425 907 H GLU 42 H GLU 42 -11.173 -4.547 -20.649 908 HA GLU 42 HA GLU 42 -11.735 -6.708 -20.967 909 HB2 GLU 42 2HB GLU 42 -14.334 -5.511 -22.021 910 HB3 GLU 42 3HB GLU 42 -14.122 -7.177 -21.497 911 HG2 GLU 42 2HG GLU 42 -13.629 -6.411 -19.205 912 HG3 GLU 42 3HG GLU 42 -13.806 -4.737 -19.724 913 H LYS 43 H LYS 43 -10.499 -5.242 -23.308 914 HA LYS 43 HA LYS 43 -11.380 -6.278 -25.777 915 HB2 LYS 43 2HB LYS 43 -9.350 -5.436 -26.738 916 HB3 LYS 43 3HB LYS 43 -9.782 -4.314 -25.459 917 HG2 LYS 43 2HG LYS 43 -7.655 -6.472 -25.217 918 HG3 LYS 43 3HG LYS 43 -7.330 -4.788 -25.615 919 HD2 LYS 43 2HD LYS 43 -8.156 -4.074 -23.411 920 HD3 LYS 43 3HD LYS 43 -8.607 -5.736 -23.018 921 HE2 LYS 43 2HE LYS 43 -6.491 -5.101 -21.922 922 HE3 LYS 43 3HE LYS 43 -6.234 -6.407 -23.080 923 HZ1 LYS 43 1HZ LYS 43 -5.374 -4.787 -24.662 924 HZ2 LYS 43 2HZ LYS 43 -4.509 -4.711 -23.213 925 HZ3 LYS 43 3HZ LYS 43 -5.656 -3.525 -23.567 926 H ALA 44 H ALA 44 -9.467 -7.676 -23.253 927 HA ALA 44 HA ALA 44 -8.218 -9.795 -24.702 928 HB1 ALA 44 1HB ALA 44 -7.524 -10.575 -22.467 929 HB2 ALA 44 2HB ALA 44 -8.629 -9.416 -21.722 930 HB3 ALA 44 3HB ALA 44 -7.250 -8.842 -22.657 931 H LYS 45 H LYS 45 -11.423 -9.387 -23.980 932 HA LYS 45 HA LYS 45 -12.253 -12.034 -23.220 933 HB2 LYS 45 2HB LYS 45 -13.602 -10.081 -22.646 934 HB3 LYS 45 3HB LYS 45 -13.714 -9.597 -24.330 935 HG2 LYS 45 2HG LYS 45 -15.113 -11.604 -24.797 936 HG3 LYS 45 3HG LYS 45 -15.018 -12.043 -23.087 937 HD2 LYS 45 2HD LYS 45 -17.157 -10.866 -23.681 938 HD3 LYS 45 3HD LYS 45 -16.231 -10.014 -22.443 939 HE2 LYS 45 2HE LYS 45 -15.451 -8.383 -24.078 940 HE3 LYS 45 3HE LYS 45 -16.169 -9.305 -25.401 941 HZ1 LYS 45 1HZ LYS 45 -17.556 -7.436 -24.841 942 HZ2 LYS 45 2HZ LYS 45 -17.645 -7.917 -23.228 943 HZ3 LYS 45 3HZ LYS 45 -18.360 -8.865 -24.429 944 H ASN 46 H ASN 46 -12.046 -10.191 -26.280 945 HA ASN 46 HA ASN 46 -11.853 -10.779 -28.463 946 HB2 ASN 46 2HB ASN 46 -10.012 -12.196 -27.571 947 HB3 ASN 46 3HB ASN 46 -11.130 -13.518 -27.313 948 HD21 ASN 46 1HD2 ASN 46 -11.079 -11.511 -30.246 949 HD22 ASN 46 2HD2 ASN 46 -10.511 -12.763 -31.289 950 H SER 47 H SER 47 -14.451 -10.858 -27.268 951 HA SER 47 HA SER 47 -16.027 -13.061 -28.120 952 HB2 SER 47 2HB SER 47 -17.977 -11.515 -27.714 953 HB3 SER 47 3HB SER 47 -16.854 -11.596 -26.357 954 HG SER 47 HG SER 47 -17.134 -9.539 -28.284 955 H LYS 48 H LYS 48 -15.438 -13.489 -30.221 956 HA LYS 48 HA LYS 48 -16.901 -12.298 -32.343 957 HB2 LYS 48 2HB LYS 48 -14.814 -10.718 -32.004 958 HB3 LYS 48 3HB LYS 48 -13.871 -12.036 -32.669 959 HG2 LYS 48 2HG LYS 48 -16.147 -10.654 -34.132 960 HG3 LYS 48 3HG LYS 48 -14.449 -10.216 -34.298 961 HD2 LYS 48 2HD LYS 48 -13.965 -12.487 -35.195 962 HD3 LYS 48 3HD LYS 48 -15.674 -12.903 -35.041 963 HE2 LYS 48 2HE LYS 48 -14.521 -10.736 -36.826 964 HE3 LYS 48 3HE LYS 48 -15.125 -12.306 -37.354 965 HZ1 LYS 48 1HZ LYS 48 -16.711 -10.107 -36.139 966 HZ2 LYS 48 2HZ LYS 48 -17.319 -11.648 -36.460 967 HZ3 LYS 48 3HZ LYS 48 -16.797 -10.676 -37.732 968 H LYS 49 H LYS 49 -13.887 -14.012 -31.676 969 HA LYS 49 HA LYS 49 -14.885 -16.469 -32.997 970 HB2 LYS 49 2HB LYS 49 -12.116 -15.207 -33.266 971 HB3 LYS 49 3HB LYS 49 -12.465 -16.861 -33.750 972 HG2 LYS 49 2HG LYS 49 -13.711 -14.367 -34.931 973 HG3 LYS 49 3HG LYS 49 -12.425 -15.321 -35.662 974 HD2 LYS 49 2HD LYS 49 -15.245 -16.318 -35.095 975 HD3 LYS 49 3HD LYS 49 -14.651 -15.780 -36.664 976 HE2 LYS 49 2HE LYS 49 -12.952 -17.609 -36.605 977 HE3 LYS 49 3HE LYS 49 -13.659 -18.176 -35.091 978 HZ1 LYS 49 1HZ LYS 49 -14.482 -19.425 -36.984 979 HZ2 LYS 49 2HZ LYS 49 -15.067 -18.008 -37.702 980 HZ3 LYS 49 3HZ LYS 49 -15.738 -18.557 -36.256 981 H ALA 50 H ALA 50 -13.152 -18.281 -32.418 982 HA ALA 50 HA ALA 50 -13.130 -18.528 -29.533 983 HB1 ALA 50 1HB ALA 50 -13.726 -20.477 -30.926 984 HB2 ALA 50 2HB ALA 50 -12.274 -20.811 -29.982 985 HB3 ALA 50 3HB ALA 50 -12.137 -20.430 -31.700 986 H ILE 51 H ILE 51 -11.051 -19.403 -28.527 987 HA ILE 51 HA ILE 51 -8.696 -17.843 -29.391 988 HB ILE 51 HB ILE 51 -7.731 -18.531 -27.131 989 HG12 ILE 51 2HG1 ILE 51 -9.548 -19.191 -25.367 990 HG13 ILE 51 3HG1 ILE 51 -10.530 -19.700 -26.730 991 HG21 ILE 51 1HG2 ILE 51 -9.067 -16.875 -25.861 992 HG22 ILE 51 2HG2 ILE 51 -10.330 -16.948 -27.093 993 HG23 ILE 51 3HG2 ILE 51 -8.732 -16.320 -27.504 994 HD11 ILE 51 1HD1 ILE 51 -7.829 -20.841 -26.002 995 HD12 ILE 51 2HD1 ILE 51 -8.894 -21.409 -27.292 996 HD13 ILE 51 3HD1 ILE 51 -9.390 -21.556 -25.605 997 H GLU 52 H GLU 52 -9.870 -20.463 -30.513 998 HA GLU 52 HA GLU 52 -7.419 -21.890 -31.013 999 HB2 GLU 52 2HB GLU 52 -8.106 -24.032 -30.069 1000 HB3 GLU 52 3HB GLU 52 -8.131 -22.825 -28.790 1001 HG2 GLU 52 2HG GLU 52 -10.526 -22.727 -28.798 1002 HG3 GLU 52 3HG GLU 52 -10.627 -23.653 -30.296 1003 H ASP 53 H ASP 53 -7.933 -23.908 -32.390 1004 HA ASP 53 HA ASP 53 -10.521 -23.852 -33.803 1005 HB2 ASP 53 2HB ASP 53 -9.077 -22.690 -35.366 1006 HB3 ASP 53 3HB ASP 53 -7.777 -23.845 -35.134 1007 H GLY 54 H GLY 54 -10.813 -25.504 -32.157 1008 HA2 GLY 54 2HA GLY 54 -11.116 -27.685 -31.533 1009 HA3 GLY 54 3HA GLY 54 -10.836 -28.081 -33.220 1010 H VAL 55 H VAL 55 -8.440 -26.565 -31.120 1011 HA VAL 55 HA VAL 55 -6.589 -28.767 -31.732 1012 HB VAL 55 HB VAL 55 -5.775 -26.612 -32.484 1013 HG11 VAL 55 1HG1 VAL 55 -6.036 -25.590 -29.644 1014 HG12 VAL 55 2HG1 VAL 55 -7.039 -25.114 -31.018 1015 HG13 VAL 55 3HG1 VAL 55 -5.321 -24.709 -30.999 1016 HG21 VAL 55 1HG2 VAL 55 -4.056 -28.150 -31.627 1017 HG22 VAL 55 2HG2 VAL 55 -4.211 -27.447 -30.017 1018 HG23 VAL 55 3HG2 VAL 55 -3.587 -26.468 -31.346 1019 HA PRO 56 HA PRO 56 -6.752 -29.790 -27.282 1020 HB2 PRO 56 2HB PRO 56 -5.346 -32.118 -27.386 1021 HB3 PRO 56 3HB PRO 56 -7.024 -32.030 -27.958 1022 HG2 PRO 56 2HG PRO 56 -4.490 -31.989 -29.558 1023 HG3 PRO 56 3HG PRO 56 -6.008 -32.858 -29.879 1024 HD2 PRO 56 2HD PRO 56 -5.357 -30.467 -31.092 1025 HD3 PRO 56 3HD PRO 56 -7.028 -31.003 -30.826 1026 H GLN 57 H GLN 57 -4.951 -30.408 -25.716 1027 HA GLN 57 HA GLN 57 -2.592 -28.733 -26.125 1028 HB2 GLN 57 2HB GLN 57 -3.574 -30.307 -23.696 1029 HB3 GLN 57 3HB GLN 57 -2.092 -29.361 -23.712 1030 HG2 GLN 57 2HG GLN 57 -3.839 -28.110 -22.602 1031 HG3 GLN 57 3HG GLN 57 -3.406 -27.306 -24.106 1032 HE21 GLN 57 1HE2 GLN 57 -5.569 -30.122 -23.757 1033 HE22 GLN 57 2HE2 GLN 57 -6.984 -29.292 -24.303 1034 HA PRO 58 HA PRO 58 -0.024 -32.157 -27.614 1035 HB2 PRO 58 2HB PRO 58 2.415 -31.335 -26.399 1036 HB3 PRO 58 3HB PRO 58 1.828 -30.833 -27.993 1037 HG2 PRO 58 2HG PRO 58 1.613 -29.399 -25.381 1038 HG3 PRO 58 3HG PRO 58 1.920 -28.740 -27.002 1039 HD2 PRO 58 2HD PRO 58 -0.496 -28.493 -25.884 1040 HD3 PRO 58 3HD PRO 58 -0.351 -28.851 -27.623 1041 H GLU 59 H GLU 59 0.734 -31.189 -24.235 1042 HA GLU 59 HA GLU 59 -0.175 -33.827 -23.279 1043 HB2 GLU 59 2HB GLU 59 2.405 -32.457 -22.364 1044 HB3 GLU 59 3HB GLU 59 1.696 -33.867 -21.587 1045 HG2 GLU 59 2HG GLU 59 2.101 -35.225 -23.579 1046 HG3 GLU 59 3HG GLU 59 2.680 -33.813 -24.458 1047 H ALA 60 H ALA 60 1.328 -31.022 -21.635 1048 HA ALA 60 HA ALA 60 0.708 -29.679 -19.933 1049 HB1 ALA 60 1HB ALA 60 -1.251 -28.298 -20.347 1050 HB2 ALA 60 2HB ALA 60 -1.889 -29.488 -21.487 1051 HB3 ALA 60 3HB ALA 60 -0.407 -28.609 -21.865 1052 H LEU 61 H LEU 61 0.003 -32.591 -19.524 1053 HA LEU 61 HA LEU 61 -2.536 -32.567 -18.084 1054 HB2 LEU 61 2HB LEU 61 -2.010 -34.432 -19.629 1055 HB3 LEU 61 3HB LEU 61 -0.613 -34.861 -18.655 1056 HG LEU 61 HG LEU 61 -2.127 -35.473 -16.758 1057 HD11 LEU 61 1HD1 LEU 61 -3.989 -33.965 -17.199 1058 HD12 LEU 61 2HD1 LEU 61 -4.560 -35.628 -17.095 1059 HD13 LEU 61 3HD1 LEU 61 -4.395 -34.851 -18.672 1060 HD21 LEU 61 1HD2 LEU 61 -3.061 -37.534 -17.734 1061 HD22 LEU 61 2HD2 LEU 61 -1.427 -37.228 -18.322 1062 HD23 LEU 61 3HD2 LEU 61 -2.815 -36.884 -19.359 1063 H GLU 62 H GLU 62 0.738 -33.850 -17.237 1064 HA GLU 62 HA GLU 62 0.909 -32.388 -14.783 1065 HB2 GLU 62 2HB GLU 62 -0.811 -34.419 -14.425 1066 HB3 GLU 62 3HB GLU 62 0.652 -35.373 -14.275 1067 HG2 GLU 62 2HG GLU 62 0.003 -32.961 -12.553 1068 HG3 GLU 62 3HG GLU 62 -0.380 -34.620 -12.106 Start of MODEL 18 1 H1 MET 1 1H MET 1 9.226 -25.649 -19.686 2 H2 MET 1 2H MET 1 8.759 -24.200 -20.419 3 H3 MET 1 3H MET 1 8.208 -25.670 -21.036 4 HA MET 1 HA MET 1 6.938 -26.105 -19.098 5 HB2 MET 1 2HB MET 1 8.461 -24.993 -17.478 6 HB3 MET 1 3HB MET 1 7.982 -23.418 -18.090 7 HG2 MET 1 2HG MET 1 5.694 -23.783 -17.262 8 HG3 MET 1 3HG MET 1 6.149 -25.390 -16.681 9 HE1 MET 1 1HE MET 1 5.823 -23.599 -13.263 10 HE2 MET 1 2HE MET 1 5.472 -25.055 -14.193 11 HE3 MET 1 3HE MET 1 4.752 -23.514 -14.662 12 H GLU 2 H GLU 2 4.896 -25.879 -19.897 13 HA GLU 2 HA GLU 2 4.123 -23.527 -21.452 14 HB2 GLU 2 2HB GLU 2 2.507 -26.036 -20.771 15 HB3 GLU 2 3HB GLU 2 2.052 -24.799 -21.941 16 HG2 GLU 2 2HG GLU 2 4.352 -26.762 -22.136 17 HG3 GLU 2 3HG GLU 2 2.905 -26.706 -23.140 18 H GLU 3 H GLU 3 1.954 -22.590 -21.066 19 HA GLU 3 HA GLU 3 0.693 -22.596 -18.510 20 HB2 GLU 3 2HB GLU 3 1.271 -20.246 -17.843 21 HB3 GLU 3 3HB GLU 3 2.651 -21.337 -17.767 22 HG2 GLU 3 2HG GLU 3 3.511 -20.459 -19.890 23 HG3 GLU 3 3HG GLU 3 2.096 -19.422 -20.057 24 H LEU 4 H LEU 4 -1.077 -21.003 -18.415 25 HA LEU 4 HA LEU 4 -1.950 -19.946 -21.051 26 HB2 LEU 4 2HB LEU 4 -3.693 -20.807 -18.694 27 HB3 LEU 4 3HB LEU 4 -4.281 -20.161 -20.218 28 HG LEU 4 HG LEU 4 -2.915 -22.849 -19.802 29 HD11 LEU 4 1HD1 LEU 4 -5.074 -23.807 -20.468 30 HD12 LEU 4 2HD1 LEU 4 -5.774 -22.187 -20.568 31 HD13 LEU 4 3HD1 LEU 4 -5.221 -22.822 -19.016 32 HD21 LEU 4 1HD2 LEU 4 -3.908 -21.619 -22.397 33 HD22 LEU 4 2HD2 LEU 4 -3.345 -23.281 -22.191 34 HD23 LEU 4 3HD2 LEU 4 -2.226 -21.942 -21.961 35 H SER 5 H SER 5 -2.005 -17.743 -21.152 36 HA SER 5 HA SER 5 -2.794 -16.127 -18.893 37 HB2 SER 5 2HB SER 5 -0.311 -16.583 -18.496 38 HB3 SER 5 3HB SER 5 0.023 -15.683 -19.975 39 HG SER 5 HG SER 5 -0.584 -14.785 -17.486 40 H GLY 6 H GLY 6 -2.917 -13.820 -19.465 41 HA2 GLY 6 2HA GLY 6 -3.018 -12.064 -21.111 42 HA3 GLY 6 3HA GLY 6 -3.247 -13.275 -22.366 43 H LYS 7 H LYS 7 -5.016 -13.972 -19.570 44 HA LYS 7 HA LYS 7 -7.568 -13.223 -20.803 45 HB2 LYS 7 2HB LYS 7 -6.968 -14.823 -18.248 46 HB3 LYS 7 3HB LYS 7 -8.568 -14.552 -18.918 47 HG2 LYS 7 2HG LYS 7 -8.063 -16.735 -19.600 48 HG3 LYS 7 3HG LYS 7 -7.706 -15.761 -21.029 49 HD2 LYS 7 2HD LYS 7 -5.272 -15.786 -20.360 50 HD3 LYS 7 3HD LYS 7 -5.695 -16.873 -19.034 51 HE2 LYS 7 2HE LYS 7 -6.094 -17.476 -21.986 52 HE3 LYS 7 3HE LYS 7 -4.780 -18.090 -20.982 53 HZ1 LYS 7 1HZ LYS 7 -6.543 -19.714 -21.226 54 HZ2 LYS 7 2HZ LYS 7 -7.671 -18.650 -20.557 55 HZ3 LYS 7 3HZ LYS 7 -6.397 -19.238 -19.617 56 HA PRO 8 HA PRO 8 -8.210 -9.752 -17.862 57 HB2 PRO 8 2HB PRO 8 -10.900 -9.884 -17.316 58 HB3 PRO 8 3HB PRO 8 -10.300 -9.364 -18.908 59 HG2 PRO 8 2HG PRO 8 -11.275 -12.089 -18.073 60 HG3 PRO 8 3HG PRO 8 -11.700 -11.149 -19.524 61 HD2 PRO 8 2HD PRO 8 -9.849 -13.122 -19.625 62 HD3 PRO 8 3HD PRO 8 -9.685 -11.652 -20.610 63 H LEU 9 H LEU 9 -8.980 -9.368 -15.541 64 HA LEU 9 HA LEU 9 -8.073 -11.462 -13.846 65 HB2 LEU 9 2HB LEU 9 -8.924 -9.918 -11.960 66 HB3 LEU 9 3HB LEU 9 -7.633 -9.347 -12.991 67 HG LEU 9 HG LEU 9 -9.414 -8.000 -14.275 68 HD11 LEU 9 1HD1 LEU 9 -11.473 -7.397 -13.092 69 HD12 LEU 9 2HD1 LEU 9 -11.109 -8.592 -11.841 70 HD13 LEU 9 3HD1 LEU 9 -11.436 -9.111 -13.495 71 HD21 LEU 9 1HD2 LEU 9 -8.850 -7.266 -11.394 72 HD22 LEU 9 2HD2 LEU 9 -9.368 -6.152 -12.665 73 HD23 LEU 9 3HD2 LEU 9 -7.803 -6.954 -12.782 74 H SER 10 H SER 10 -9.142 -12.960 -12.656 75 HA SER 10 HA SER 10 -11.879 -13.621 -13.210 76 HB2 SER 10 2HB SER 10 -10.003 -14.748 -11.076 77 HB3 SER 10 3HB SER 10 -11.477 -15.512 -11.681 78 HG SER 10 HG SER 10 -9.843 -16.449 -12.782 79 H TYR 11 H TYR 11 -13.385 -14.101 -11.225 80 HA TYR 11 HA TYR 11 -13.913 -11.765 -9.725 81 HB2 TYR 11 2HB TYR 11 -15.678 -13.420 -10.156 82 HB3 TYR 11 3HB TYR 11 -14.812 -14.642 -9.229 83 HD1 TYR 11 HD1 TYR 11 -16.342 -11.227 -8.850 84 HD2 TYR 11 HD2 TYR 11 -15.353 -14.914 -6.918 85 HE1 TYR 11 HE1 TYR 11 -17.508 -10.477 -6.816 86 HE2 TYR 11 HE2 TYR 11 -16.514 -14.166 -4.892 87 HH TYR 11 HH TYR 11 -17.125 -11.978 -3.834 88 H ALA 12 H ALA 12 -12.191 -14.764 -8.925 89 HA ALA 12 HA ALA 12 -11.546 -14.289 -6.247 90 HB1 ALA 12 1HB ALA 12 -9.772 -15.971 -6.581 91 HB2 ALA 12 2HB ALA 12 -9.951 -15.822 -8.334 92 HB3 ALA 12 3HB ALA 12 -11.275 -16.467 -7.361 93 H GLU 13 H GLU 13 -9.873 -13.322 -9.231 94 HA GLU 13 HA GLU 13 -7.585 -12.218 -7.926 95 HB2 GLU 13 2HB GLU 13 -8.577 -11.662 -10.745 96 HB3 GLU 13 3HB GLU 13 -6.959 -11.342 -10.121 97 HG2 GLU 13 2HG GLU 13 -8.253 -14.020 -10.652 98 HG3 GLU 13 3HG GLU 13 -6.835 -13.335 -11.439 99 H LYS 14 H LYS 14 -10.652 -10.921 -9.072 100 HA LYS 14 HA LYS 14 -10.012 -8.161 -8.848 101 HB2 LYS 14 2HB LYS 14 -11.841 -9.137 -10.274 102 HB3 LYS 14 3HB LYS 14 -12.760 -9.483 -8.822 103 HG2 LYS 14 2HG LYS 14 -11.893 -6.644 -9.380 104 HG3 LYS 14 3HG LYS 14 -13.251 -7.316 -10.277 105 HD2 LYS 14 2HD LYS 14 -13.069 -7.066 -7.240 106 HD3 LYS 14 3HD LYS 14 -14.011 -6.027 -8.311 107 HE2 LYS 14 2HE LYS 14 -15.369 -8.003 -8.992 108 HE3 LYS 14 3HE LYS 14 -14.456 -9.000 -7.856 109 HZ1 LYS 14 1HZ LYS 14 -16.123 -6.646 -7.130 110 HZ2 LYS 14 2HZ LYS 14 -15.289 -7.646 -6.046 111 HZ3 LYS 14 3HZ LYS 14 -16.578 -8.263 -6.949 112 H GLU 15 H GLU 15 -11.580 -10.514 -6.658 113 HA GLU 15 HA GLU 15 -12.273 -8.594 -4.654 114 HB2 GLU 15 2HB GLU 15 -12.749 -10.504 -3.167 115 HB3 GLU 15 3HB GLU 15 -13.485 -10.733 -4.748 116 HG2 GLU 15 2HG GLU 15 -11.820 -12.342 -5.375 117 HG3 GLU 15 3HG GLU 15 -10.856 -11.994 -3.945 118 H LYS 16 H LYS 16 -9.495 -10.864 -5.037 119 HA LYS 16 HA LYS 16 -8.288 -10.202 -2.549 120 HB2 LYS 16 2HB LYS 16 -6.375 -11.459 -3.230 121 HB3 LYS 16 3HB LYS 16 -7.777 -12.293 -3.888 122 HG2 LYS 16 2HG LYS 16 -7.319 -11.306 -6.113 123 HG3 LYS 16 3HG LYS 16 -5.910 -10.473 -5.457 124 HD2 LYS 16 2HD LYS 16 -5.241 -12.489 -6.686 125 HD3 LYS 16 3HD LYS 16 -4.841 -12.653 -4.975 126 HE2 LYS 16 2HE LYS 16 -6.701 -14.149 -4.619 127 HE3 LYS 16 3HE LYS 16 -7.352 -13.810 -6.224 128 HZ1 LYS 16 1HZ LYS 16 -6.209 -15.940 -6.125 129 HZ2 LYS 16 2HZ LYS 16 -4.772 -15.173 -5.686 130 HZ3 LYS 16 3HZ LYS 16 -5.448 -14.889 -7.212 131 H LEU 17 H LEU 17 -8.178 -8.733 -5.736 132 HA LEU 17 HA LEU 17 -5.861 -7.115 -5.268 133 HB2 LEU 17 2HB LEU 17 -7.263 -7.873 -7.536 134 HB3 LEU 17 3HB LEU 17 -7.755 -6.205 -7.387 135 HG LEU 17 HG LEU 17 -5.833 -6.420 -8.897 136 HD11 LEU 17 1HD1 LEU 17 -4.336 -4.772 -7.932 137 HD12 LEU 17 2HD1 LEU 17 -4.980 -5.079 -6.315 138 HD13 LEU 17 3HD1 LEU 17 -6.006 -4.357 -7.559 139 HD21 LEU 17 1HD2 LEU 17 -3.650 -7.211 -8.134 140 HD22 LEU 17 2HD2 LEU 17 -4.857 -8.482 -7.944 141 HD23 LEU 17 3HD2 LEU 17 -4.306 -7.571 -6.532 142 H LYS 18 H LYS 18 -9.406 -6.439 -5.219 143 HA LYS 18 HA LYS 18 -9.028 -3.652 -4.708 144 HB2 LYS 18 2HB LYS 18 -11.474 -3.551 -4.301 145 HB3 LYS 18 3HB LYS 18 -11.065 -4.355 -5.803 146 HG2 LYS 18 2HG LYS 18 -12.807 -5.666 -4.994 147 HG3 LYS 18 3HG LYS 18 -11.388 -6.568 -4.463 148 HD2 LYS 18 2HD LYS 18 -11.625 -5.529 -2.193 149 HD3 LYS 18 3HD LYS 18 -13.079 -4.698 -2.746 150 HE2 LYS 18 2HE LYS 18 -14.199 -6.839 -3.095 151 HE3 LYS 18 3HE LYS 18 -12.731 -7.711 -2.644 152 HZ1 LYS 18 1HZ LYS 18 -12.894 -6.685 -0.436 153 HZ2 LYS 18 2HZ LYS 18 -14.238 -7.635 -0.798 154 HZ3 LYS 18 3HZ LYS 18 -14.347 -5.950 -0.879 155 H GLU 19 H GLU 19 -9.423 -6.479 -2.585 156 HA GLU 19 HA GLU 19 -9.580 -4.938 -0.158 157 HB2 GLU 19 2HB GLU 19 -9.317 -7.006 1.058 158 HB3 GLU 19 3HB GLU 19 -10.412 -7.292 -0.289 159 HG2 GLU 19 2HG GLU 19 -8.641 -8.385 -1.549 160 HG3 GLU 19 3HG GLU 19 -7.472 -8.028 -0.282 161 H LYS 20 H LYS 20 -6.968 -6.435 -2.048 162 HA LYS 20 HA LYS 20 -4.744 -6.040 -0.434 163 HB2 LYS 20 2HB LYS 20 -4.396 -7.286 -2.403 164 HB3 LYS 20 3HB LYS 20 -5.225 -6.117 -3.408 165 HG2 LYS 20 2HG LYS 20 -3.310 -4.591 -3.257 166 HG3 LYS 20 3HG LYS 20 -2.454 -5.769 -2.247 167 HD2 LYS 20 2HD LYS 20 -2.599 -7.413 -4.140 168 HD3 LYS 20 3HD LYS 20 -3.349 -6.156 -5.135 169 HE2 LYS 20 2HE LYS 20 -0.996 -6.277 -5.681 170 HE3 LYS 20 3HE LYS 20 -1.289 -4.768 -4.817 171 HZ1 LYS 20 1HZ LYS 20 -0.156 -7.255 -3.647 172 HZ2 LYS 20 2HZ LYS 20 -0.463 -5.835 -2.788 173 HZ3 LYS 20 3HZ LYS 20 0.706 -5.850 -4.003 174 H LEU 21 H LEU 21 -6.301 -3.807 -2.722 175 HA LEU 21 HA LEU 21 -4.407 -1.704 -2.426 176 HB2 LEU 21 2HB LEU 21 -7.233 -1.599 -3.542 177 HB3 LEU 21 3HB LEU 21 -6.015 -0.344 -3.740 178 HG LEU 21 HG LEU 21 -5.904 -3.156 -4.888 179 HD11 LEU 21 1HD1 LEU 21 -6.036 -2.072 -7.062 180 HD12 LEU 21 2HD1 LEU 21 -6.223 -0.500 -6.276 181 HD13 LEU 21 3HD1 LEU 21 -7.459 -1.746 -6.076 182 HD21 LEU 21 1HD2 LEU 21 -3.654 -2.473 -4.267 183 HD22 LEU 21 2HD2 LEU 21 -3.844 -0.951 -5.142 184 HD23 LEU 21 3HD2 LEU 21 -3.837 -2.482 -6.017 185 H ALA 22 H ALA 22 -7.650 -2.296 -1.027 186 HA ALA 22 HA ALA 22 -7.841 0.175 0.415 187 HB1 ALA 22 1HB ALA 22 -9.822 -1.196 -0.141 188 HB2 ALA 22 2HB ALA 22 -9.717 -0.911 1.597 189 HB3 ALA 22 3HB ALA 22 -9.250 -2.479 0.929 190 H PHE 23 H PHE 23 -6.465 -2.980 1.159 191 HA PHE 23 HA PHE 23 -6.133 -2.689 3.971 192 HB2 PHE 23 2HB PHE 23 -6.124 -4.905 2.946 193 HB3 PHE 23 3HB PHE 23 -4.775 -4.482 1.909 194 HD1 PHE 23 HD1 PHE 23 -5.689 -5.000 5.510 195 HD2 PHE 23 HD2 PHE 23 -2.562 -5.027 2.577 196 HE1 PHE 23 HE1 PHE 23 -4.146 -6.001 7.144 197 HE2 PHE 23 HE2 PHE 23 -1.032 -6.015 4.221 198 HZ PHE 23 HZ PHE 23 -1.820 -6.503 6.505 199 H LEU 24 H LEU 24 -3.823 -2.446 1.256 200 HA LEU 24 HA LEU 24 -1.667 -1.520 2.813 201 HB2 LEU 24 2HB LEU 24 -0.473 -1.134 0.748 202 HB3 LEU 24 3HB LEU 24 -1.305 -2.668 0.697 203 HG LEU 24 HG LEU 24 -3.096 -1.407 -0.756 204 HD11 LEU 24 1HD1 LEU 24 -2.232 0.449 -2.111 205 HD12 LEU 24 2HD1 LEU 24 -0.776 0.504 -1.114 206 HD13 LEU 24 3HD1 LEU 24 -2.350 0.880 -0.410 207 HD21 LEU 24 1HD2 LEU 24 -0.349 -1.997 -1.898 208 HD22 LEU 24 2HD2 LEU 24 -1.845 -1.846 -2.830 209 HD23 LEU 24 3HD2 LEU 24 -1.664 -3.155 -1.663 210 H LYS 25 H LYS 25 -4.297 0.130 1.242 211 HA LYS 25 HA LYS 25 -3.247 2.780 1.293 212 HB2 LYS 25 2HB LYS 25 -5.039 2.118 -0.217 213 HB3 LYS 25 3HB LYS 25 -6.104 1.743 1.135 214 HG2 LYS 25 2HG LYS 25 -6.149 4.134 1.754 215 HG3 LYS 25 3HG LYS 25 -5.072 4.507 0.405 216 HD2 LYS 25 2HD LYS 25 -7.896 3.387 0.219 217 HD3 LYS 25 3HD LYS 25 -7.391 5.026 -0.198 218 HE2 LYS 25 2HE LYS 25 -5.959 4.090 -2.010 219 HE3 LYS 25 3HE LYS 25 -6.539 2.473 -1.607 220 HZ1 LYS 25 1HZ LYS 25 -8.267 4.713 -2.505 221 HZ2 LYS 25 2HZ LYS 25 -8.754 3.125 -2.205 222 HZ3 LYS 25 3HZ LYS 25 -7.708 3.452 -3.490 223 H LYS 26 H LYS 26 -5.497 1.037 3.503 224 HA LYS 26 HA LYS 26 -5.970 3.307 5.151 225 HB2 LYS 26 2HB LYS 26 -7.066 1.788 6.733 226 HB3 LYS 26 3HB LYS 26 -7.584 1.454 5.086 227 HG2 LYS 26 2HG LYS 26 -6.088 -0.512 5.011 228 HG3 LYS 26 3HG LYS 26 -5.571 -0.181 6.669 229 HD2 LYS 26 2HD LYS 26 -7.886 -0.554 7.475 230 HD3 LYS 26 3HD LYS 26 -8.429 -0.835 5.818 231 HE2 LYS 26 2HE LYS 26 -7.015 -2.837 5.674 232 HE3 LYS 26 3HE LYS 26 -6.398 -2.535 7.298 233 HZ1 LYS 26 1HZ LYS 26 -9.223 -3.121 6.617 234 HZ2 LYS 26 2HZ LYS 26 -8.615 -2.837 8.166 235 HZ3 LYS 26 3HZ LYS 26 -8.128 -4.207 7.309 236 H GLU 27 H GLU 27 -3.718 0.540 5.410 237 HA GLU 27 HA GLU 27 -2.587 1.384 7.889 238 HB2 GLU 27 2HB GLU 27 -0.751 -0.181 7.434 239 HB3 GLU 27 3HB GLU 27 -2.314 -0.925 7.122 240 HG2 GLU 27 2HG GLU 27 -1.966 -0.521 4.688 241 HG3 GLU 27 3HG GLU 27 -0.358 0.105 5.054 242 H TYR 28 H TYR 28 -1.815 2.069 4.468 243 HA TYR 28 HA TYR 28 0.616 3.393 4.685 244 HB2 TYR 28 2HB TYR 28 -0.361 2.905 2.491 245 HB3 TYR 28 3HB TYR 28 -1.716 3.978 2.804 246 HD1 TYR 28 HD1 TYR 28 1.970 3.912 2.234 247 HD2 TYR 28 HD2 TYR 28 -1.553 6.332 2.233 248 HE1 TYR 28 HE1 TYR 28 3.235 5.734 1.197 249 HE2 TYR 28 HE2 TYR 28 -0.284 8.162 1.198 250 HH TYR 28 HH TYR 28 2.171 8.884 1.110 251 H SER 29 H SER 29 -2.657 4.788 4.858 252 HA SER 29 HA SER 29 -1.909 7.454 5.289 253 HB2 SER 29 2HB SER 29 -4.171 6.718 4.534 254 HB3 SER 29 3HB SER 29 -4.481 6.058 6.144 255 HG SER 29 HG SER 29 -4.090 8.771 5.397 256 H ARG 30 H ARG 30 -2.780 4.875 7.608 257 HA ARG 30 HA ARG 30 -2.676 6.467 9.958 258 HB2 ARG 30 2HB ARG 30 -2.474 3.460 9.539 259 HB3 ARG 30 3HB ARG 30 -2.580 4.205 11.135 260 HG2 ARG 30 2HG ARG 30 -4.788 5.124 10.590 261 HG3 ARG 30 3HG ARG 30 -4.689 4.445 8.960 262 HD2 ARG 30 2HD ARG 30 -4.640 2.829 11.528 263 HD3 ARG 30 3HD ARG 30 -6.066 3.062 10.515 264 HE ARG 30 HE ARG 30 -4.381 2.023 8.743 265 HH11 ARG 30 1HH1 ARG 30 -5.008 0.946 12.052 266 HH12 ARG 30 2HH1 ARG 30 -4.665 -0.715 11.693 267 HH21 ARG 30 1HH2 ARG 30 -3.988 -0.174 8.303 268 HH22 ARG 30 2HH2 ARG 30 -4.091 -1.337 9.578 269 H THR 31 H THR 31 -0.285 4.201 8.594 270 HA THR 31 HA THR 31 1.513 4.537 10.793 271 HB THR 31 HB THR 31 1.204 2.338 9.615 272 HG1 THR 31 HG1 THR 31 3.784 3.480 9.949 273 HG21 THR 31 1HG2 THR 31 1.300 3.160 7.261 274 HG22 THR 31 2HG2 THR 31 2.457 1.874 7.578 275 HG23 THR 31 3HG2 THR 31 3.007 3.544 7.490 276 H LEU 32 H LEU 32 1.269 5.850 7.511 277 HA LEU 32 HA LEU 32 3.803 7.171 7.519 278 HB2 LEU 32 2HB LEU 32 2.531 6.852 5.446 279 HB3 LEU 32 3HB LEU 32 1.245 7.883 6.034 280 HG LEU 32 HG LEU 32 3.988 9.142 5.805 281 HD11 LEU 32 1HD1 LEU 32 3.729 9.622 3.416 282 HD12 LEU 32 2HD1 LEU 32 2.283 8.610 3.356 283 HD13 LEU 32 3HD1 LEU 32 3.856 7.886 3.699 284 HD21 LEU 32 1HD2 LEU 32 1.206 10.168 5.139 285 HD22 LEU 32 2HD2 LEU 32 2.694 11.121 5.090 286 HD23 LEU 32 3HD2 LEU 32 2.100 10.492 6.626 287 H ALA 33 H ALA 33 0.526 8.064 8.606 288 HA ALA 33 HA ALA 33 0.921 10.717 9.339 289 HB1 ALA 33 1HB ALA 33 -0.834 8.666 10.744 290 HB2 ALA 33 2HB ALA 33 -1.280 9.599 9.310 291 HB3 ALA 33 3HB ALA 33 -1.006 10.426 10.843 292 H ARG 34 H ARG 34 1.376 7.795 11.350 293 HA ARG 34 HA ARG 34 2.314 9.203 13.647 294 HB2 ARG 34 2HB ARG 34 2.693 7.058 14.662 295 HB3 ARG 34 3HB ARG 34 1.190 6.980 13.754 296 HG2 ARG 34 2HG ARG 34 2.504 5.845 11.896 297 HG3 ARG 34 3HG ARG 34 3.860 5.750 13.022 298 HD2 ARG 34 2HD ARG 34 1.124 4.483 13.338 299 HD3 ARG 34 3HD ARG 34 2.658 3.650 13.037 300 HE ARG 34 HE ARG 34 2.062 5.140 15.536 301 HH11 ARG 34 1HH1 ARG 34 3.473 2.290 13.979 302 HH12 ARG 34 2HH1 ARG 34 4.035 1.619 15.478 303 HH21 ARG 34 1HH2 ARG 34 2.811 4.240 17.466 304 HH22 ARG 34 2HH2 ARG 34 3.656 2.723 17.444 305 H LEU 35 H LEU 35 3.928 7.669 10.887 306 HA LEU 35 HA LEU 35 6.605 7.779 11.703 307 HB2 LEU 35 2HB LEU 35 5.576 6.764 9.546 308 HB3 LEU 35 3HB LEU 35 5.650 8.373 8.866 309 HG LEU 35 HG LEU 35 8.106 6.795 9.786 310 HD11 LEU 35 1HD1 LEU 35 7.048 7.126 6.962 311 HD12 LEU 35 2HD1 LEU 35 7.062 5.639 7.911 312 HD13 LEU 35 3HD1 LEU 35 8.581 6.372 7.418 313 HD21 LEU 35 1HD2 LEU 35 8.532 9.205 9.753 314 HD22 LEU 35 2HD2 LEU 35 7.956 9.305 8.089 315 HD23 LEU 35 3HD2 LEU 35 9.426 8.397 8.469 316 H GLN 36 H GLN 36 4.504 10.231 10.204 317 HA GLN 36 HA GLN 36 6.425 12.303 10.020 318 HB2 GLN 36 2HB GLN 36 3.391 12.559 10.170 319 HB3 GLN 36 3HB GLN 36 4.503 13.835 9.675 320 HG2 GLN 36 2HG GLN 36 3.920 11.246 8.220 321 HG3 GLN 36 3HG GLN 36 3.496 12.872 7.708 322 HE21 GLN 36 1HE2 GLN 36 5.065 10.768 6.351 323 HE22 GLN 36 2HE2 GLN 36 6.586 11.484 5.959 324 H ARG 37 H ARG 37 3.980 11.508 12.517 325 HA ARG 37 HA ARG 37 4.356 13.780 14.145 326 HB2 ARG 37 2HB ARG 37 3.422 10.995 14.955 327 HB3 ARG 37 3HB ARG 37 3.310 12.422 15.987 328 HG2 ARG 37 2HG ARG 37 1.892 11.999 13.339 329 HG3 ARG 37 3HG ARG 37 1.158 11.948 14.941 330 HD2 ARG 37 2HD ARG 37 1.676 14.347 15.250 331 HD3 ARG 37 3HD ARG 37 2.427 14.392 13.649 332 HE ARG 37 HE ARG 37 -0.161 13.421 13.330 333 HH11 ARG 37 1HH1 ARG 37 1.358 16.438 14.332 334 HH12 ARG 37 2HH1 ARG 37 0.042 17.421 13.776 335 HH21 ARG 37 1HH2 ARG 37 -1.882 14.731 12.613 336 HH22 ARG 37 2HH2 ARG 37 -1.787 16.452 12.803 337 H ALA 38 H ALA 38 6.149 10.789 13.925 338 HA ALA 38 HA ALA 38 7.751 11.155 16.276 339 HB1 ALA 38 1HB ALA 38 8.229 9.414 13.836 340 HB2 ALA 38 2HB ALA 38 7.345 8.943 15.289 341 HB3 ALA 38 3HB ALA 38 9.074 9.289 15.382 342 H LYS 39 H LYS 39 8.423 11.583 12.766 343 HA LYS 39 HA LYS 39 11.133 12.457 13.233 344 HB2 LYS 39 2HB LYS 39 11.354 12.545 10.827 345 HB3 LYS 39 3HB LYS 39 10.500 11.071 11.270 346 HG2 LYS 39 2HG LYS 39 8.377 12.003 10.552 347 HG3 LYS 39 3HG LYS 39 9.103 13.588 10.281 348 HD2 LYS 39 2HD LYS 39 9.802 11.054 8.740 349 HD3 LYS 39 3HD LYS 39 8.728 12.330 8.165 350 HE2 LYS 39 2HE LYS 39 10.580 13.934 8.170 351 HE3 LYS 39 3HE LYS 39 11.669 12.717 8.842 352 HZ1 LYS 39 1HZ LYS 39 10.316 12.503 6.203 353 HZ2 LYS 39 2HZ LYS 39 11.448 11.430 6.845 354 HZ3 LYS 39 3HZ LYS 39 11.919 13.000 6.433 355 H ARG 40 H ARG 40 8.108 14.128 12.775 356 HA ARG 40 HA ARG 40 9.306 16.659 12.014 357 HB2 ARG 40 2HB ARG 40 6.436 15.965 12.775 358 HB3 ARG 40 3HB ARG 40 6.963 17.570 12.270 359 HG2 ARG 40 2HG ARG 40 7.058 15.048 10.577 360 HG3 ARG 40 3HG ARG 40 5.881 16.354 10.428 361 HD2 ARG 40 2HD ARG 40 8.871 16.582 9.946 362 HD3 ARG 40 3HD ARG 40 7.618 16.518 8.703 363 HE ARG 40 HE ARG 40 6.801 18.618 10.112 364 HH11 ARG 40 1HH1 ARG 40 10.028 17.881 8.925 365 HH12 ARG 40 2HH1 ARG 40 10.476 19.546 8.775 366 HH21 ARG 40 1HH2 ARG 40 7.403 20.789 9.912 367 HH22 ARG 40 2HH2 ARG 40 8.989 21.194 9.339 368 H ALA 41 H ALA 41 7.955 15.194 14.945 369 HA ALA 41 HA ALA 41 8.161 17.556 16.562 370 HB1 ALA 41 1HB ALA 41 6.507 15.813 17.080 371 HB2 ALA 41 2HB ALA 41 7.596 16.080 18.445 372 HB3 ALA 41 3HB ALA 41 7.809 14.667 17.409 373 H GLU 42 H GLU 42 9.967 14.458 16.464 374 HA GLU 42 HA GLU 42 11.959 13.771 17.314 375 HB2 GLU 42 2HB GLU 42 12.775 16.589 16.484 376 HB3 GLU 42 3HB GLU 42 13.915 15.305 16.891 377 HG2 GLU 42 2HG GLU 42 13.169 13.966 15.006 378 HG3 GLU 42 3HG GLU 42 11.905 15.140 14.625 379 H LYS 43 H LYS 43 10.145 14.868 19.197 380 HA LYS 43 HA LYS 43 11.114 16.403 21.249 381 HB2 LYS 43 2HB LYS 43 9.539 15.208 22.741 382 HB3 LYS 43 3HB LYS 43 8.798 15.597 21.200 383 HG2 LYS 43 2HG LYS 43 9.904 12.845 21.848 384 HG3 LYS 43 3HG LYS 43 8.238 13.314 22.179 385 HD2 LYS 43 2HD LYS 43 7.907 13.749 19.733 386 HD3 LYS 43 3HD LYS 43 9.563 13.211 19.436 387 HE2 LYS 43 2HE LYS 43 7.982 11.421 18.929 388 HE3 LYS 43 3HE LYS 43 8.984 10.972 20.309 389 HZ1 LYS 43 1HZ LYS 43 7.149 11.598 21.777 390 HZ2 LYS 43 2HZ LYS 43 6.681 10.397 20.683 391 HZ3 LYS 43 3HZ LYS 43 6.194 11.997 20.439 392 H ALA 44 H ALA 44 11.890 12.991 20.593 393 HA ALA 44 HA ALA 44 13.222 12.478 23.072 394 HB1 ALA 44 1HB ALA 44 13.853 10.336 22.063 395 HB2 ALA 44 2HB ALA 44 13.284 10.908 20.490 396 HB3 ALA 44 3HB ALA 44 12.140 10.688 21.815 397 H LYS 45 H LYS 45 14.191 14.181 20.312 398 HA LYS 45 HA LYS 45 16.979 13.583 20.238 399 HB2 LYS 45 2HB LYS 45 15.857 14.596 18.301 400 HB3 LYS 45 3HB LYS 45 15.393 15.992 19.255 401 HG2 LYS 45 2HG LYS 45 17.164 16.819 17.995 402 HG3 LYS 45 3HG LYS 45 17.950 16.417 19.515 403 HD2 LYS 45 2HD LYS 45 17.970 14.621 17.065 404 HD3 LYS 45 3HD LYS 45 19.227 15.795 17.429 405 HE2 LYS 45 2HE LYS 45 19.717 14.576 19.541 406 HE3 LYS 45 3HE LYS 45 18.500 13.373 19.106 407 HZ1 LYS 45 1HZ LYS 45 19.801 12.930 17.079 408 HZ2 LYS 45 2HZ LYS 45 20.649 12.572 18.491 409 HZ3 LYS 45 3HZ LYS 45 21.003 13.978 17.632 410 H ASN 46 H ASN 46 14.933 15.904 21.954 411 HA ASN 46 HA ASN 46 15.268 17.474 23.549 412 HB2 ASN 46 2HB ASN 46 17.565 15.606 24.339 413 HB3 ASN 46 3HB ASN 46 16.960 16.917 25.349 414 HD21 ASN 46 1HD2 ASN 46 16.231 13.759 24.028 415 HD22 ASN 46 2HD2 ASN 46 14.900 13.423 25.077 416 H SER 47 H SER 47 16.181 18.153 21.131 417 HA SER 47 HA SER 47 18.856 18.742 20.736 418 HB2 SER 47 2HB SER 47 17.948 20.258 18.890 419 HB3 SER 47 3HB SER 47 17.372 18.601 18.858 420 HG SER 47 HG SER 47 15.935 20.793 18.930 421 H LYS 48 H LYS 48 20.124 20.488 21.046 422 HA LYS 48 HA LYS 48 19.697 22.283 23.174 423 HB2 LYS 48 2HB LYS 48 21.747 22.430 20.914 424 HB3 LYS 48 3HB LYS 48 21.859 23.295 22.448 425 HG2 LYS 48 2HG LYS 48 22.048 21.153 23.659 426 HG3 LYS 48 3HG LYS 48 21.882 20.267 22.137 427 HD2 LYS 48 2HD LYS 48 24.002 21.329 21.321 428 HD3 LYS 48 3HD LYS 48 24.175 22.147 22.877 429 HE2 LYS 48 2HE LYS 48 24.302 19.940 24.002 430 HE3 LYS 48 3HE LYS 48 24.157 19.144 22.434 431 HZ1 LYS 48 1HZ LYS 48 26.224 20.214 21.759 432 HZ2 LYS 48 2HZ LYS 48 26.453 19.253 23.129 433 HZ3 LYS 48 3HZ LYS 48 26.370 20.933 23.279 434 H LYS 49 H LYS 49 19.999 24.714 22.925 435 HA LYS 49 HA LYS 49 18.134 25.883 21.056 436 HB2 LYS 49 2HB LYS 49 20.057 27.135 23.078 437 HB3 LYS 49 3HB LYS 49 18.912 28.064 22.118 438 HG2 LYS 49 2HG LYS 49 18.213 25.952 24.191 439 HG3 LYS 49 3HG LYS 49 18.058 27.700 24.386 440 HD2 LYS 49 2HD LYS 49 16.499 25.972 22.417 441 HD3 LYS 49 3HD LYS 49 15.873 26.664 23.913 442 HE2 LYS 49 2HE LYS 49 16.155 28.935 23.010 443 HE3 LYS 49 3HE LYS 49 16.875 28.280 21.539 444 HZ1 LYS 49 1HZ LYS 49 14.614 28.793 21.103 445 HZ2 LYS 49 2HZ LYS 49 14.076 27.942 22.460 446 HZ3 LYS 49 3HZ LYS 49 14.743 27.105 21.150 447 H ALA 50 H ALA 50 19.198 28.164 20.146 448 HA ALA 50 HA ALA 50 20.592 27.406 17.834 449 HB1 ALA 50 1HB ALA 50 20.776 29.821 17.379 450 HB2 ALA 50 2HB ALA 50 20.292 30.175 19.038 451 HB3 ALA 50 3HB ALA 50 19.158 29.391 17.937 452 H ILE 51 H ILE 51 22.492 26.302 18.326 453 HA ILE 51 HA ILE 51 24.599 27.348 19.971 454 HB ILE 51 HB ILE 51 26.026 25.494 18.919 455 HG12 ILE 51 2HG1 ILE 51 24.641 23.626 17.759 456 HG13 ILE 51 3HG1 ILE 51 23.415 24.848 17.463 457 HG21 ILE 51 1HG2 ILE 51 24.857 23.685 20.144 458 HG22 ILE 51 2HG2 ILE 51 23.396 24.676 20.217 459 HG23 ILE 51 3HG2 ILE 51 24.861 25.199 21.052 460 HD11 ILE 51 1HD1 ILE 51 24.820 24.398 15.517 461 HD12 ILE 51 2HD1 ILE 51 26.244 24.918 16.421 462 HD13 ILE 51 3HD1 ILE 51 24.959 26.070 16.049 463 H GLU 52 H GLU 52 23.679 27.756 16.675 464 HA GLU 52 HA GLU 52 26.082 29.162 15.891 465 HB2 GLU 52 2HB GLU 52 24.733 29.821 13.864 466 HB3 GLU 52 3HB GLU 52 24.888 28.094 14.102 467 HG2 GLU 52 2HG GLU 52 22.675 28.339 13.412 468 HG3 GLU 52 3HG GLU 52 22.535 28.201 15.161 469 H ASP 53 H ASP 53 26.274 31.399 15.658 470 HA ASP 53 HA ASP 53 24.628 32.989 17.518 471 HB2 ASP 53 2HB ASP 53 26.535 34.564 17.572 472 HB3 ASP 53 3HB ASP 53 27.042 32.942 18.016 473 H GLY 54 H GLY 54 23.225 34.403 16.723 474 HA2 GLY 54 2HA GLY 54 23.321 35.187 13.852 475 HA3 GLY 54 3HA GLY 54 21.841 34.844 14.739 476 H VAL 55 H VAL 55 24.654 36.975 14.671 477 HA VAL 55 HA VAL 55 23.744 38.913 16.481 478 HB VAL 55 HB VAL 55 26.094 38.805 15.909 479 HG11 VAL 55 1HG1 VAL 55 25.950 38.091 13.560 480 HG12 VAL 55 2HG1 VAL 55 27.018 39.488 13.725 481 HG13 VAL 55 3HG1 VAL 55 25.379 39.699 13.098 482 HG21 VAL 55 1HG2 VAL 55 25.254 40.996 16.662 483 HG22 VAL 55 2HG2 VAL 55 24.953 41.471 14.989 484 HG23 VAL 55 3HG2 VAL 55 26.607 41.198 15.544 485 HA PRO 56 HA PRO 56 20.593 40.684 13.726 486 HB2 PRO 56 2HB PRO 56 19.354 42.288 15.535 487 HB3 PRO 56 3HB PRO 56 19.169 40.524 15.592 488 HG2 PRO 56 2HG PRO 56 20.989 42.268 17.225 489 HG3 PRO 56 3HG PRO 56 19.927 40.942 17.766 490 HD2 PRO 56 2HD PRO 56 22.600 40.581 17.326 491 HD3 PRO 56 3HD PRO 56 21.413 39.285 17.061 492 H GLN 57 H GLN 57 20.779 42.328 12.421 493 HA GLN 57 HA GLN 57 22.708 44.372 12.496 494 HB2 GLN 57 2HB GLN 57 21.580 45.314 10.531 495 HB3 GLN 57 3HB GLN 57 21.692 43.572 10.378 496 HG2 GLN 57 2HG GLN 57 19.184 45.100 11.154 497 HG3 GLN 57 3HG GLN 57 19.549 44.515 9.544 498 HE21 GLN 57 1HE2 GLN 57 18.573 43.612 12.763 499 HE22 GLN 57 2HE2 GLN 57 18.064 42.007 12.375 500 HA PRO 58 HA PRO 58 20.894 47.055 15.475 501 HB2 PRO 58 2HB PRO 58 22.194 49.439 14.977 502 HB3 PRO 58 3HB PRO 58 22.985 48.034 15.722 503 HG2 PRO 58 2HG PRO 58 23.115 48.976 12.879 504 HG3 PRO 58 3HG PRO 58 24.401 48.309 13.911 505 HD2 PRO 58 2HD PRO 58 23.097 46.811 12.014 506 HD3 PRO 58 3HD PRO 58 23.796 46.114 13.489 507 H GLU 59 H GLU 59 21.178 49.338 12.690 508 HA GLU 59 HA GLU 59 18.533 50.394 13.390 509 HB2 GLU 59 2HB GLU 59 20.399 51.988 13.246 510 HB3 GLU 59 3HB GLU 59 20.708 51.500 11.582 511 HG2 GLU 59 2HG GLU 59 18.432 52.357 10.959 512 HG3 GLU 59 3HG GLU 59 18.243 52.936 12.616 513 H ALA 60 H ALA 60 20.231 48.890 10.662 514 HA ALA 60 HA ALA 60 18.342 49.600 8.639 515 HB1 ALA 60 1HB ALA 60 20.463 47.422 8.595 516 HB2 ALA 60 2HB ALA 60 20.729 49.119 8.194 517 HB3 ALA 60 3HB ALA 60 19.659 48.140 7.192 518 H LEU 61 H LEU 61 16.343 48.941 9.620 519 HA LEU 61 HA LEU 61 15.744 46.036 9.635 520 HB2 LEU 61 2HB LEU 61 14.512 48.254 11.342 521 HB3 LEU 61 3HB LEU 61 14.022 46.568 11.369 522 HG LEU 61 HG LEU 61 16.794 47.548 12.186 523 HD11 LEU 61 1HD1 LEU 61 16.097 47.138 14.503 524 HD12 LEU 61 2HD1 LEU 61 14.455 46.773 13.958 525 HD13 LEU 61 3HD1 LEU 61 15.122 48.394 13.746 526 HD21 LEU 61 1HD2 LEU 61 16.800 45.240 11.383 527 HD22 LEU 61 2HD2 LEU 61 15.487 44.824 12.488 528 HD23 LEU 61 3HD2 LEU 61 17.069 45.290 13.124 529 H GLU 62 H GLU 62 15.430 46.403 7.353 530 HA GLU 62 HA GLU 62 12.655 47.101 6.695 531 HB2 GLU 62 2HB GLU 62 13.789 48.054 4.442 532 HB3 GLU 62 3HB GLU 62 13.479 49.072 5.835 533 HG2 GLU 62 2HG GLU 62 15.652 49.597 4.986 534 HG3 GLU 62 3HG GLU 62 15.855 48.791 6.533 535 H1 MET 1 1H MET 1 2.619 -7.157 29.034 536 H2 MET 1 2H MET 1 3.371 -6.199 27.862 537 H3 MET 1 3H MET 1 3.172 -5.606 29.430 538 HA MET 1 HA MET 1 4.650 -7.207 30.316 539 HB2 MET 1 2HB MET 1 4.889 -8.185 27.429 540 HB3 MET 1 3HB MET 1 5.967 -8.694 28.725 541 HG2 MET 1 2HG MET 1 3.976 -9.599 29.944 542 HG3 MET 1 3HG MET 1 2.996 -9.225 28.521 543 HE1 MET 1 1HE MET 1 2.252 -11.854 28.569 544 HE2 MET 1 2HE MET 1 3.341 -12.171 29.922 545 HE3 MET 1 3HE MET 1 3.411 -13.179 28.477 546 H GLU 2 H GLU 2 5.282 -4.972 30.629 547 HA GLU 2 HA GLU 2 6.730 -3.255 30.656 548 HB2 GLU 2 2HB GLU 2 8.604 -5.439 29.660 549 HB3 GLU 2 3HB GLU 2 9.162 -3.867 30.232 550 HG2 GLU 2 2HG GLU 2 8.145 -4.330 32.456 551 HG3 GLU 2 3HG GLU 2 7.654 -5.929 31.892 552 H GLU 3 H GLU 3 5.187 -3.377 28.210 553 HA GLU 3 HA GLU 3 6.868 -2.667 25.977 554 HB2 GLU 3 2HB GLU 3 4.713 -3.736 25.557 555 HB3 GLU 3 3HB GLU 3 3.858 -2.428 26.373 556 HG2 GLU 3 2HG GLU 3 4.609 -0.851 24.608 557 HG3 GLU 3 3HG GLU 3 5.448 -2.168 23.790 558 H LEU 4 H LEU 4 8.052 -0.878 26.294 559 HA LEU 4 HA LEU 4 6.843 1.608 27.320 560 HB2 LEU 4 2HB LEU 4 9.766 0.950 26.746 561 HB3 LEU 4 3HB LEU 4 9.171 2.407 27.531 562 HG LEU 4 HG LEU 4 9.044 -0.422 28.667 563 HD11 LEU 4 1HD1 LEU 4 10.624 0.385 30.347 564 HD12 LEU 4 2HD1 LEU 4 10.703 1.957 29.542 565 HD13 LEU 4 3HD1 LEU 4 11.292 0.507 28.722 566 HD21 LEU 4 1HD2 LEU 4 8.082 2.175 29.917 567 HD22 LEU 4 2HD2 LEU 4 8.174 0.607 30.729 568 HD23 LEU 4 3HD2 LEU 4 7.075 0.829 29.372 569 H SER 5 H SER 5 6.972 3.545 26.102 570 HA SER 5 HA SER 5 7.870 3.469 23.314 571 HB2 SER 5 2HB SER 5 5.498 2.620 23.279 572 HB3 SER 5 3HB SER 5 4.965 4.117 24.036 573 HG SER 5 HG SER 5 6.440 4.681 21.854 574 H GLY 6 H GLY 6 8.637 4.828 25.828 575 HA2 GLY 6 2HA GLY 6 7.825 7.570 25.783 576 HA3 GLY 6 3HA GLY 6 9.198 6.900 26.644 577 H LYS 7 H LYS 7 10.159 5.820 23.938 578 HA LYS 7 HA LYS 7 11.040 8.323 22.613 579 HB2 LYS 7 2HB LYS 7 12.335 5.587 22.904 580 HB3 LYS 7 3HB LYS 7 12.663 6.512 21.446 581 HG2 LYS 7 2HG LYS 7 14.448 6.898 23.030 582 HG3 LYS 7 3HG LYS 7 13.517 8.387 22.831 583 HD2 LYS 7 2HD LYS 7 12.337 7.923 24.968 584 HD3 LYS 7 3HD LYS 7 13.273 6.438 25.155 585 HE2 LYS 7 2HE LYS 7 14.424 9.249 25.085 586 HE3 LYS 7 3HE LYS 7 14.177 8.277 26.537 587 HZ1 LYS 7 1HZ LYS 7 16.044 7.690 24.298 588 HZ2 LYS 7 2HZ LYS 7 15.720 6.622 25.566 589 HZ3 LYS 7 3HZ LYS 7 16.448 8.112 25.885 590 HA PRO 8 HA PRO 8 8.421 7.077 19.144 591 HB2 PRO 8 2HB PRO 8 9.485 8.467 17.087 592 HB3 PRO 8 3HB PRO 8 8.826 9.333 18.499 593 HG2 PRO 8 2HG PRO 8 11.696 8.655 17.905 594 HG3 PRO 8 3HG PRO 8 10.994 10.215 18.404 595 HD2 PRO 8 2HD PRO 8 12.141 8.492 20.193 596 HD3 PRO 8 3HD PRO 8 10.814 9.586 20.632 597 H LEU 9 H LEU 9 9.194 6.652 16.459 598 HA LEU 9 HA LEU 9 10.000 3.964 16.558 599 HB2 LEU 9 2HB LEU 9 10.157 4.182 14.001 600 HB3 LEU 9 3HB LEU 9 8.608 4.458 14.762 601 HG LEU 9 HG LEU 9 9.050 6.974 14.515 602 HD11 LEU 9 1HD1 LEU 9 10.635 7.726 12.799 603 HD12 LEU 9 2HD1 LEU 9 11.263 6.082 12.652 604 HD13 LEU 9 3HD1 LEU 9 11.463 6.975 14.159 605 HD21 LEU 9 1HD2 LEU 9 8.797 5.328 11.988 606 HD22 LEU 9 2HD2 LEU 9 8.347 7.028 12.163 607 HD23 LEU 9 3HD2 LEU 9 7.485 5.791 13.077 608 H SER 10 H SER 10 11.875 2.930 16.108 609 HA SER 10 HA SER 10 14.387 4.269 16.500 610 HB2 SER 10 2HB SER 10 13.771 1.359 15.792 611 HB3 SER 10 3HB SER 10 15.306 1.967 16.416 612 HG SER 10 HG SER 10 14.025 1.053 18.065 613 H TYR 11 H TYR 11 16.301 3.550 14.949 614 HA TYR 11 HA TYR 11 15.884 4.507 12.324 615 HB2 TYR 11 2HB TYR 11 18.129 4.530 13.335 616 HB3 TYR 11 3HB TYR 11 18.150 2.769 13.411 617 HD1 TYR 11 HD1 TYR 11 17.857 5.580 10.923 618 HD2 TYR 11 HD2 TYR 11 19.143 1.560 11.606 619 HE1 TYR 11 HE1 TYR 11 18.821 5.502 8.660 620 HE2 TYR 11 HE2 TYR 11 20.099 1.482 9.351 621 HH TYR 11 HH TYR 11 19.764 2.593 7.181 622 H ALA 12 H ALA 12 16.008 1.225 13.667 623 HA ALA 12 HA ALA 12 15.725 -0.292 11.328 624 HB1 ALA 12 1HB ALA 12 14.964 -2.096 12.829 625 HB2 ALA 12 2HB ALA 12 14.731 -0.923 14.131 626 HB3 ALA 12 3HB ALA 12 16.351 -1.244 13.509 627 H GLU 13 H GLU 13 13.284 1.181 13.450 628 HA GLU 13 HA GLU 13 11.026 0.048 12.118 629 HB2 GLU 13 2HB GLU 13 11.098 2.484 13.938 630 HB3 GLU 13 3HB GLU 13 9.665 1.558 13.486 631 HG2 GLU 13 2HG GLU 13 11.967 0.679 15.239 632 HG3 GLU 13 3HG GLU 13 10.286 0.908 15.709 633 H LYS 14 H LYS 14 12.808 3.073 11.838 634 HA LYS 14 HA LYS 14 10.965 4.467 10.189 635 HB2 LYS 14 2HB LYS 14 12.757 5.517 11.612 636 HB3 LYS 14 3HB LYS 14 13.968 4.922 10.490 637 HG2 LYS 14 2HG LYS 14 11.750 6.697 9.459 638 HG3 LYS 14 3HG LYS 14 13.081 7.424 10.355 639 HD2 LYS 14 2HD LYS 14 13.348 5.782 7.797 640 HD3 LYS 14 3HD LYS 14 13.450 7.540 7.911 641 HE2 LYS 14 2HE LYS 14 15.453 7.298 9.382 642 HE3 LYS 14 3HE LYS 14 15.368 5.547 9.175 643 HZ1 LYS 14 1HZ LYS 14 15.761 7.521 6.990 644 HZ2 LYS 14 2HZ LYS 14 15.733 5.841 6.812 645 HZ3 LYS 14 3HZ LYS 14 16.978 6.580 7.684 646 H GLU 15 H GLU 15 13.835 2.450 9.490 647 HA GLU 15 HA GLU 15 13.821 2.938 6.677 648 HB2 GLU 15 2HB GLU 15 15.433 1.092 6.473 649 HB3 GLU 15 3HB GLU 15 15.888 2.189 7.768 650 HG2 GLU 15 2HG GLU 15 15.152 0.614 9.446 651 HG3 GLU 15 3HG GLU 15 14.456 -0.440 8.218 652 H LYS 16 H LYS 16 12.509 0.258 8.702 653 HA LYS 16 HA LYS 16 11.590 -1.289 6.504 654 HB2 LYS 16 2HB LYS 16 10.433 -2.680 8.058 655 HB3 LYS 16 3HB LYS 16 11.924 -2.189 8.847 656 HG2 LYS 16 2HG LYS 16 10.671 -0.506 10.165 657 HG3 LYS 16 3HG LYS 16 9.174 -1.003 9.377 658 HD2 LYS 16 2HD LYS 16 9.357 -1.989 11.620 659 HD3 LYS 16 3HD LYS 16 9.380 -3.250 10.387 660 HE2 LYS 16 2HE LYS 16 11.763 -3.548 10.653 661 HE3 LYS 16 3HE LYS 16 11.879 -2.113 11.674 662 HZ1 LYS 16 1HZ LYS 16 11.934 -4.174 12.951 663 HZ2 LYS 16 2HZ LYS 16 10.391 -4.581 12.393 664 HZ3 LYS 16 3HZ LYS 16 10.605 -3.215 13.372 665 H LEU 17 H LEU 17 10.228 1.420 8.261 666 HA LEU 17 HA LEU 17 7.536 1.100 7.342 667 HB2 LEU 17 2HB LEU 17 8.721 2.547 9.385 668 HB3 LEU 17 3HB LEU 17 8.376 3.823 8.244 669 HG LEU 17 HG LEU 17 6.564 3.598 9.883 670 HD11 LEU 17 1HD1 LEU 17 4.668 3.450 8.389 671 HD12 LEU 17 2HD1 LEU 17 5.644 2.637 7.161 672 HD13 LEU 17 3HD1 LEU 17 5.979 4.317 7.598 673 HD21 LEU 17 1HD2 LEU 17 5.192 1.575 10.037 674 HD22 LEU 17 2HD2 LEU 17 6.869 1.203 10.426 675 HD23 LEU 17 3HD2 LEU 17 6.211 0.759 8.847 676 H LYS 18 H LYS 18 10.246 3.273 6.355 677 HA LYS 18 HA LYS 18 8.644 4.651 4.429 678 HB2 LYS 18 2HB LYS 18 10.762 5.689 3.646 679 HB3 LYS 18 3HB LYS 18 10.546 5.802 5.382 680 HG2 LYS 18 2HG LYS 18 12.815 5.321 5.192 681 HG3 LYS 18 3HG LYS 18 12.124 3.728 5.504 682 HD2 LYS 18 2HD LYS 18 12.215 3.254 3.038 683 HD3 LYS 18 3HD LYS 18 12.973 4.827 2.785 684 HE2 LYS 18 2HE LYS 18 14.901 4.133 4.119 685 HE3 LYS 18 3HE LYS 18 14.135 2.579 4.461 686 HZ1 LYS 18 1HZ LYS 18 14.193 2.099 2.075 687 HZ2 LYS 18 2HZ LYS 18 15.742 2.371 2.696 688 HZ3 LYS 18 3HZ LYS 18 14.973 3.573 1.787 689 H GLU 19 H GLU 19 10.737 1.779 4.243 690 HA GLU 19 HA GLU 19 10.541 1.518 1.382 691 HB2 GLU 19 2HB GLU 19 11.550 -0.663 1.607 692 HB3 GLU 19 3HB GLU 19 12.380 0.430 2.711 693 HG2 GLU 19 2HG GLU 19 11.138 -0.470 4.598 694 HG3 GLU 19 3HG GLU 19 10.196 -1.501 3.532 695 H LYS 20 H LYS 20 8.703 0.313 4.179 696 HA LYS 20 HA LYS 20 6.899 -1.446 3.003 697 HB2 LYS 20 2HB LYS 20 6.850 -1.348 5.347 698 HB3 LYS 20 3HB LYS 20 6.825 0.404 5.374 699 HG2 LYS 20 2HG LYS 20 4.469 0.396 4.680 700 HG3 LYS 20 3HG LYS 20 4.482 -1.378 4.662 701 HD2 LYS 20 2HD LYS 20 5.084 -1.339 7.099 702 HD3 LYS 20 3HD LYS 20 4.941 0.424 7.076 703 HE2 LYS 20 2HE LYS 20 2.897 -0.520 7.963 704 HE3 LYS 20 3HE LYS 20 2.553 0.156 6.368 705 HZ1 LYS 20 1HZ LYS 20 3.040 -2.713 6.961 706 HZ2 LYS 20 2HZ LYS 20 2.692 -2.073 5.436 707 HZ3 LYS 20 3HZ LYS 20 1.535 -2.015 6.665 708 H LEU 21 H LEU 21 6.734 2.086 3.339 709 HA LEU 21 HA LEU 21 4.141 2.383 2.204 710 HB2 LEU 21 2HB LEU 21 6.325 4.460 2.607 711 HB3 LEU 21 3HB LEU 21 4.638 4.815 2.246 712 HG LEU 21 HG LEU 21 5.701 3.525 4.784 713 HD11 LEU 21 1HD1 LEU 21 4.922 5.534 5.909 714 HD12 LEU 21 2HD1 LEU 21 4.453 6.235 4.356 715 HD13 LEU 21 3HD1 LEU 21 6.153 5.896 4.701 716 HD21 LEU 21 1HD2 LEU 21 3.548 2.536 4.241 717 HD22 LEU 21 2HD2 LEU 21 2.827 4.136 4.054 718 HD23 LEU 21 3HD2 LEU 21 3.405 3.604 5.631 719 H ALA 22 H ALA 22 7.448 2.797 0.920 720 HA ALA 22 HA ALA 22 6.698 3.737 -1.674 721 HB1 ALA 22 1HB ALA 22 8.954 4.099 -0.724 722 HB2 ALA 22 2HB ALA 22 9.048 3.268 -2.277 723 HB3 ALA 22 3HB ALA 22 9.269 2.361 -0.778 724 H PHE 23 H PHE 23 7.155 0.538 -0.288 725 HA PHE 23 HA PHE 23 7.233 -1.000 -2.683 726 HB2 PHE 23 2HB PHE 23 8.126 -1.907 -0.599 727 HB3 PHE 23 3HB PHE 23 6.584 -1.718 0.213 728 HD1 PHE 23 HD1 PHE 23 8.243 -3.618 -2.570 729 HD2 PHE 23 HD2 PHE 23 5.087 -3.554 0.333 730 HE1 PHE 23 HE1 PHE 23 7.692 -5.959 -3.095 731 HE2 PHE 23 HE2 PHE 23 4.547 -5.885 -0.209 732 HZ PHE 23 HZ PHE 23 5.844 -7.091 -1.923 733 H LEU 24 H LEU 24 4.657 -0.460 -0.264 734 HA LEU 24 HA LEU 24 2.636 -1.783 -1.712 735 HB2 LEU 24 2HB LEU 24 1.063 -0.951 -0.078 736 HB3 LEU 24 3HB LEU 24 2.511 -1.535 0.703 737 HG LEU 24 HG LEU 24 3.177 1.003 0.878 738 HD11 LEU 24 1HD1 LEU 24 1.290 2.566 1.064 739 HD12 LEU 24 2HD1 LEU 24 0.196 1.322 0.459 740 HD13 LEU 24 3HD1 LEU 24 1.478 1.956 -0.575 741 HD21 LEU 24 1HD2 LEU 24 0.925 -0.114 2.577 742 HD22 LEU 24 2HD2 LEU 24 1.963 1.250 3.009 743 HD23 LEU 24 3HD2 LEU 24 2.657 -0.360 2.830 744 H LYS 25 H LYS 25 3.810 1.490 -1.794 745 HA LYS 25 HA LYS 25 1.626 2.715 -3.157 746 HB2 LYS 25 2HB LYS 25 3.219 4.013 -1.859 747 HB3 LYS 25 3HB LYS 25 4.552 3.509 -2.891 748 HG2 LYS 25 2HG LYS 25 3.567 4.773 -4.772 749 HG3 LYS 25 3HG LYS 25 2.219 5.264 -3.741 750 HD2 LYS 25 2HD LYS 25 5.150 5.994 -3.364 751 HD3 LYS 25 3HD LYS 25 3.861 7.074 -3.897 752 HE2 LYS 25 2HE LYS 25 2.738 6.787 -1.695 753 HE3 LYS 25 3HE LYS 25 4.066 5.751 -1.170 754 HZ1 LYS 25 1HZ LYS 25 4.343 8.604 -1.959 755 HZ2 LYS 25 2HZ LYS 25 5.573 7.595 -1.394 756 HZ3 LYS 25 3HZ LYS 25 4.300 8.016 -0.371 757 H LYS 26 H LYS 26 4.791 1.439 -4.310 758 HA LYS 26 HA LYS 26 4.380 2.257 -7.000 759 HB2 LYS 26 2HB LYS 26 6.352 0.922 -7.582 760 HB3 LYS 26 3HB LYS 26 6.651 1.878 -6.137 761 HG2 LYS 26 2HG LYS 26 6.317 -0.131 -4.739 762 HG3 LYS 26 3HG LYS 26 6.025 -1.093 -6.193 763 HD2 LYS 26 2HD LYS 26 8.332 -0.616 -6.974 764 HD3 LYS 26 3HD LYS 26 8.624 0.372 -5.539 765 HE2 LYS 26 2HE LYS 26 8.379 -1.600 -4.105 766 HE3 LYS 26 3HE LYS 26 7.979 -2.595 -5.507 767 HZ1 LYS 26 1HZ LYS 26 10.567 -1.217 -5.057 768 HZ2 LYS 26 2HZ LYS 26 10.175 -2.176 -6.392 769 HZ3 LYS 26 3HZ LYS 26 10.279 -2.874 -4.854 770 H GLU 27 H GLU 27 3.833 -0.843 -5.289 771 HA GLU 27 HA GLU 27 2.904 -2.243 -7.601 772 HB2 GLU 27 2HB GLU 27 2.023 -3.936 -6.059 773 HB3 GLU 27 3HB GLU 27 3.662 -3.480 -5.620 774 HG2 GLU 27 2HG GLU 27 2.715 -2.015 -3.834 775 HG3 GLU 27 3HG GLU 27 1.110 -2.616 -4.239 776 H TYR 28 H TYR 28 1.301 -0.256 -5.102 777 HA TYR 28 HA TYR 28 -1.384 -0.702 -5.654 778 HB2 TYR 28 2HB TYR 28 -0.710 0.688 -3.751 779 HB3 TYR 28 3HB TYR 28 -0.019 1.900 -4.817 780 HD1 TYR 28 HD1 TYR 28 -3.238 0.358 -3.725 781 HD2 TYR 28 HD2 TYR 28 -1.418 3.687 -5.688 782 HE1 TYR 28 HE1 TYR 28 -5.392 1.537 -3.700 783 HE2 TYR 28 HE2 TYR 28 -3.569 4.870 -5.669 784 HH TYR 28 HH TYR 28 -6.022 4.243 -5.589 785 H SER 29 H SER 29 0.768 1.744 -7.093 786 HA SER 29 HA SER 29 -1.102 2.897 -8.836 787 HB2 SER 29 2HB SER 29 1.057 3.960 -8.155 788 HB3 SER 29 3HB SER 29 1.929 2.792 -9.152 789 HG SER 29 HG SER 29 0.085 4.780 -10.003 790 H ARG 30 H ARG 30 1.312 0.308 -9.386 791 HA ARG 30 HA ARG 30 0.861 -0.009 -12.180 792 HB2 ARG 30 2HB ARG 30 2.090 -1.879 -10.112 793 HB3 ARG 30 3HB ARG 30 2.104 -2.211 -11.846 794 HG2 ARG 30 2HG ARG 30 3.444 -0.194 -12.248 795 HG3 ARG 30 3HG ARG 30 3.395 0.206 -10.526 796 HD2 ARG 30 2HD ARG 30 4.622 -2.316 -11.698 797 HD3 ARG 30 3HD ARG 30 5.534 -0.883 -11.218 798 HE ARG 30 HE ARG 30 4.288 -1.437 -8.937 799 HH11 ARG 30 1HH1 ARG 30 5.933 -3.663 -11.120 800 HH12 ARG 30 2HH1 ARG 30 6.386 -4.759 -9.859 801 HH21 ARG 30 1HH2 ARG 30 4.956 -2.856 -7.274 802 HH22 ARG 30 2HH2 ARG 30 5.827 -4.297 -7.669 803 H THR 31 H THR 31 -0.315 -1.921 -9.409 804 HA THR 31 HA THR 31 -1.645 -3.831 -11.075 805 HB THR 31 HB THR 31 -0.543 -4.477 -8.907 806 HG1 THR 31 HG1 THR 31 -3.256 -5.141 -9.437 807 HG21 THR 31 1HG2 THR 31 -1.433 -2.619 -7.481 808 HG22 THR 31 2HG2 THR 31 -1.740 -4.215 -6.806 809 HG23 THR 31 3HG2 THR 31 -3.038 -3.331 -7.606 810 H LEU 32 H LEU 32 -2.644 -0.983 -9.228 811 HA LEU 32 HA LEU 32 -5.454 -1.357 -9.587 812 HB2 LEU 32 2HB LEU 32 -4.576 0.212 -7.921 813 HB3 LEU 32 3HB LEU 32 -3.864 1.203 -9.173 814 HG LEU 32 HG LEU 32 -6.865 0.835 -9.279 815 HD11 LEU 32 1HD1 LEU 32 -7.287 2.620 -7.660 816 HD12 LEU 32 2HD1 LEU 32 -5.568 2.692 -7.264 817 HD13 LEU 32 3HD1 LEU 32 -6.504 1.244 -6.883 818 HD21 LEU 32 1HD2 LEU 32 -5.089 3.254 -9.759 819 HD22 LEU 32 2HD2 LEU 32 -6.835 3.189 -10.025 820 HD23 LEU 32 3HD2 LEU 32 -5.758 2.197 -11.006 821 H ALA 33 H ALA 33 -2.889 0.248 -11.478 822 HA ALA 33 HA ALA 33 -4.374 1.403 -13.520 823 HB1 ALA 33 1HB ALA 33 -1.638 0.088 -13.765 824 HB2 ALA 33 2HB ALA 33 -1.946 1.738 -13.208 825 HB3 ALA 33 3HB ALA 33 -2.320 1.292 -14.873 826 H ARG 34 H ARG 34 -3.010 -1.901 -13.408 827 HA ARG 34 HA ARG 34 -4.088 -2.719 -15.922 828 HB2 ARG 34 2HB ARG 34 -3.190 -4.896 -15.469 829 HB3 ARG 34 3HB ARG 34 -2.029 -3.702 -14.905 830 HG2 ARG 34 2HG ARG 34 -2.953 -4.073 -12.563 831 HG3 ARG 34 3HG ARG 34 -3.864 -5.434 -13.223 832 HD2 ARG 34 2HD ARG 34 -0.855 -5.102 -13.132 833 HD3 ARG 34 3HD ARG 34 -1.831 -6.260 -12.221 834 HE ARG 34 HE ARG 34 -1.561 -6.334 -15.174 835 HH11 ARG 34 1HH1 ARG 34 -1.638 -8.071 -12.100 836 HH12 ARG 34 2HH1 ARG 34 -1.473 -9.622 -12.850 837 HH21 ARG 34 1HH2 ARG 34 -1.366 -8.364 -16.125 838 HH22 ARG 34 2HH2 ARG 34 -1.319 -9.789 -15.138 839 H LEU 35 H LEU 35 -5.208 -2.986 -12.566 840 HA LEU 35 HA LEU 35 -7.415 -4.680 -12.868 841 HB2 LEU 35 2HB LEU 35 -6.414 -3.638 -10.710 842 HB3 LEU 35 3HB LEU 35 -7.375 -2.221 -11.061 843 HG LEU 35 HG LEU 35 -8.552 -4.993 -10.521 844 HD11 LEU 35 1HD1 LEU 35 -8.304 -2.661 -8.597 845 HD12 LEU 35 2HD1 LEU 35 -7.426 -4.189 -8.517 846 HD13 LEU 35 3HD1 LEU 35 -9.170 -4.174 -8.296 847 HD21 LEU 35 1HD2 LEU 35 -10.093 -3.584 -11.799 848 HD22 LEU 35 2HD2 LEU 35 -9.939 -2.297 -10.604 849 HD23 LEU 35 3HD2 LEU 35 -10.691 -3.835 -10.161 850 H GLN 36 H GLN 36 -7.070 -1.165 -13.356 851 HA GLN 36 HA GLN 36 -9.749 -0.630 -14.082 852 HB2 GLN 36 2HB GLN 36 -7.258 0.952 -14.843 853 HB3 GLN 36 3HB GLN 36 -8.920 1.526 -14.984 854 HG2 GLN 36 2HG GLN 36 -7.391 0.934 -12.443 855 HG3 GLN 36 3HG GLN 36 -7.937 2.501 -13.022 856 HE21 GLN 36 1HE2 GLN 36 -8.445 1.045 -10.481 857 HE22 GLN 36 2HE2 GLN 36 -10.160 1.003 -10.306 858 H ARG 37 H ARG 37 -6.833 -1.359 -16.026 859 HA ARG 37 HA ARG 37 -7.971 -0.932 -18.565 860 HB2 ARG 37 2HB ARG 37 -5.694 -2.797 -17.790 861 HB3 ARG 37 3HB ARG 37 -6.112 -2.381 -19.449 862 HG2 ARG 37 2HG ARG 37 -5.126 -0.474 -17.308 863 HG3 ARG 37 3HG ARG 37 -4.208 -1.049 -18.700 864 HD2 ARG 37 2HD ARG 37 -5.779 0.136 -20.220 865 HD3 ARG 37 3HD ARG 37 -6.712 0.689 -18.823 866 HE ARG 37 HE ARG 37 -4.068 1.502 -18.448 867 HH11 ARG 37 1HH1 ARG 37 -6.685 2.209 -20.687 868 HH12 ARG 37 2HH1 ARG 37 -6.141 3.818 -21.010 869 HH21 ARG 37 1HH2 ARG 37 -3.347 3.608 -18.899 870 HH22 ARG 37 2HH2 ARG 37 -4.237 4.621 -19.993 871 H ALA 38 H ALA 38 -8.059 -3.739 -16.455 872 HA ALA 38 HA ALA 38 -9.226 -5.559 -18.332 873 HB1 ALA 38 1HB ALA 38 -9.202 -5.654 -15.299 874 HB2 ALA 38 2HB ALA 38 -7.962 -6.319 -16.364 875 HB3 ALA 38 3HB ALA 38 -9.592 -6.999 -16.376 876 H LYS 39 H LYS 39 -10.616 -3.659 -15.610 877 HA LYS 39 HA LYS 39 -13.282 -4.674 -16.048 878 HB2 LYS 39 2HB LYS 39 -13.930 -3.376 -14.119 879 HB3 LYS 39 3HB LYS 39 -12.398 -4.171 -13.779 880 HG2 LYS 39 2HG LYS 39 -11.178 -2.090 -14.064 881 HG3 LYS 39 3HG LYS 39 -12.628 -1.253 -14.623 882 HD2 LYS 39 2HD LYS 39 -12.252 -2.425 -11.832 883 HD3 LYS 39 3HD LYS 39 -12.053 -0.723 -12.252 884 HE2 LYS 39 2HE LYS 39 -14.418 -0.559 -12.860 885 HE3 LYS 39 3HE LYS 39 -14.646 -2.285 -12.567 886 HZ1 LYS 39 1HZ LYS 39 -13.843 -0.306 -10.500 887 HZ2 LYS 39 2HZ LYS 39 -14.169 -1.946 -10.253 888 HZ3 LYS 39 3HZ LYS 39 -15.410 -0.901 -10.720 889 H ARG 40 H ARG 40 -11.594 -1.816 -17.097 890 HA ARG 40 HA ARG 40 -13.983 -0.299 -17.736 891 HB2 ARG 40 2HB ARG 40 -11.051 0.230 -18.408 892 HB3 ARG 40 3HB ARG 40 -12.372 1.315 -18.834 893 HG2 ARG 40 2HG ARG 40 -11.532 0.557 -16.015 894 HG3 ARG 40 3HG ARG 40 -11.193 2.089 -16.826 895 HD2 ARG 40 2HD ARG 40 -13.947 1.023 -16.109 896 HD3 ARG 40 3HD ARG 40 -13.070 2.297 -15.259 897 HE ARG 40 HE ARG 40 -13.153 3.283 -17.742 898 HH11 ARG 40 1HH1 ARG 40 -15.737 1.944 -15.766 899 HH12 ARG 40 2HH1 ARG 40 -16.960 2.933 -16.495 900 HH21 ARG 40 1HH2 ARG 40 -14.755 4.579 -18.676 901 HH22 ARG 40 2HH2 ARG 40 -16.402 4.431 -18.148 902 H ALA 41 H ALA 41 -11.617 -2.276 -19.476 903 HA ALA 41 HA ALA 41 -12.625 -1.689 -22.098 904 HB1 ALA 41 1HB ALA 41 -10.280 -2.327 -21.782 905 HB2 ALA 41 2HB ALA 41 -11.093 -3.454 -22.871 906 HB3 ALA 41 3HB ALA 41 -10.776 -3.915 -21.194 907 H GLU 42 H GLU 42 -12.700 -4.590 -19.990 908 HA GLU 42 HA GLU 42 -13.881 -6.531 -20.013 909 HB2 GLU 42 2HB GLU 42 -16.107 -4.600 -20.785 910 HB3 GLU 42 3HB GLU 42 -16.374 -6.247 -20.216 911 HG2 GLU 42 2HG GLU 42 -15.440 -5.717 -18.045 912 HG3 GLU 42 3HG GLU 42 -14.974 -4.104 -18.592 913 H LYS 43 H LYS 43 -12.534 -5.928 -22.458 914 HA LYS 43 HA LYS 43 -14.036 -6.336 -24.802 915 HB2 LYS 43 2HB LYS 43 -11.938 -6.572 -25.967 916 HB3 LYS 43 3HB LYS 43 -11.711 -5.358 -24.722 917 HG2 LYS 43 2HG LYS 43 -10.794 -8.242 -24.476 918 HG3 LYS 43 3HG LYS 43 -9.771 -6.921 -25.041 919 HD2 LYS 43 2HD LYS 43 -10.009 -5.795 -22.847 920 HD3 LYS 43 3HD LYS 43 -11.055 -7.106 -22.283 921 HE2 LYS 43 2HE LYS 43 -8.769 -7.401 -21.443 922 HE3 LYS 43 3HE LYS 43 -9.185 -8.705 -22.556 923 HZ1 LYS 43 1HZ LYS 43 -7.589 -6.298 -23.287 924 HZ2 LYS 43 2HZ LYS 43 -7.900 -7.635 -24.281 925 HZ3 LYS 43 3HZ LYS 43 -6.936 -7.806 -22.904 926 H ALA 44 H ALA 44 -12.632 -8.619 -22.523 927 HA ALA 44 HA ALA 44 -12.946 -10.927 -24.265 928 HB1 ALA 44 1HB ALA 44 -12.035 -10.744 -21.381 929 HB2 ALA 44 2HB ALA 44 -10.981 -10.733 -22.795 930 HB3 ALA 44 3HB ALA 44 -11.928 -12.172 -22.411 931 H LYS 45 H LYS 45 -15.176 -9.184 -22.681 932 HA LYS 45 HA LYS 45 -16.784 -11.156 -21.366 933 HB2 LYS 45 2HB LYS 45 -17.027 -8.794 -20.813 934 HB3 LYS 45 3HB LYS 45 -17.396 -8.393 -22.486 935 HG2 LYS 45 2HG LYS 45 -19.532 -9.686 -22.288 936 HG3 LYS 45 3HG LYS 45 -19.162 -9.983 -20.587 937 HD2 LYS 45 2HD LYS 45 -19.508 -7.233 -21.843 938 HD3 LYS 45 3HD LYS 45 -20.756 -8.082 -20.933 939 HE2 LYS 45 2HE LYS 45 -19.357 -7.996 -18.909 940 HE3 LYS 45 3HE LYS 45 -18.066 -7.210 -19.822 941 HZ1 LYS 45 1HZ LYS 45 -19.336 -5.607 -18.575 942 HZ2 LYS 45 2HZ LYS 45 -20.772 -6.087 -19.325 943 HZ3 LYS 45 3HZ LYS 45 -19.555 -5.343 -20.227 944 H ASN 46 H ASN 46 -16.842 -9.590 -24.595 945 HA ASN 46 HA ASN 46 -17.577 -10.223 -26.647 946 HB2 ASN 46 2HB ASN 46 -17.444 -13.009 -25.414 947 HB3 ASN 46 3HB ASN 46 -17.809 -12.731 -27.109 948 HD21 ASN 46 1HD2 ASN 46 -15.396 -10.814 -25.365 949 HD22 ASN 46 2HD2 ASN 46 -14.044 -11.477 -26.196 950 H SER 47 H SER 47 -19.458 -9.189 -24.948 951 HA SER 47 HA SER 47 -21.857 -10.708 -24.719 952 HB2 SER 47 2HB SER 47 -22.884 -8.470 -24.147 953 HB3 SER 47 3HB SER 47 -21.441 -8.846 -23.204 954 HG SER 47 HG SER 47 -21.605 -7.163 -25.476 955 H LYS 48 H LYS 48 -23.850 -10.369 -25.833 956 HA LYS 48 HA LYS 48 -23.677 -9.935 -28.683 957 HB2 LYS 48 2HB LYS 48 -26.112 -10.458 -26.895 958 HB3 LYS 48 3HB LYS 48 -26.116 -10.506 -28.656 959 HG2 LYS 48 2HG LYS 48 -24.532 -12.366 -26.856 960 HG3 LYS 48 3HG LYS 48 -26.065 -12.761 -27.639 961 HD2 LYS 48 2HD LYS 48 -24.968 -12.453 -29.865 962 HD3 LYS 48 3HD LYS 48 -23.437 -12.123 -29.044 963 HE2 LYS 48 2HE LYS 48 -23.348 -14.363 -28.152 964 HE3 LYS 48 3HE LYS 48 -24.988 -14.716 -28.706 965 HZ1 LYS 48 1HZ LYS 48 -24.235 -14.567 -30.975 966 HZ2 LYS 48 2HZ LYS 48 -23.268 -15.677 -30.139 967 HZ3 LYS 48 3HZ LYS 48 -22.684 -14.129 -30.480 968 H LYS 49 H LYS 49 -25.799 -8.651 -29.511 969 HA LYS 49 HA LYS 49 -25.331 -5.911 -29.261 970 HB2 LYS 49 2HB LYS 49 -27.517 -5.598 -30.409 971 HB3 LYS 49 3HB LYS 49 -26.526 -6.819 -31.196 972 HG2 LYS 49 2HG LYS 49 -27.925 -8.599 -30.519 973 HG3 LYS 49 3HG LYS 49 -28.622 -7.679 -29.183 974 HD2 LYS 49 2HD LYS 49 -29.131 -7.051 -32.122 975 HD3 LYS 49 3HD LYS 49 -30.204 -8.034 -31.121 976 HE2 LYS 49 2HE LYS 49 -30.666 -6.149 -29.655 977 HE3 LYS 49 3HE LYS 49 -29.446 -5.161 -30.461 978 HZ1 LYS 49 1HZ LYS 49 -31.604 -4.539 -31.231 979 HZ2 LYS 49 2HZ LYS 49 -31.991 -6.130 -31.646 980 HZ3 LYS 49 3HZ LYS 49 -30.787 -5.303 -32.500 981 H ALA 50 H ALA 50 -26.722 -4.210 -28.386 982 HA ALA 50 HA ALA 50 -27.575 -4.532 -25.702 983 HB1 ALA 50 1HB ALA 50 -26.823 -2.355 -26.589 984 HB2 ALA 50 2HB ALA 50 -28.450 -2.220 -25.916 985 HB3 ALA 50 3HB ALA 50 -28.218 -2.296 -27.667 986 H ILE 51 H ILE 51 -29.137 -6.056 -25.426 987 HA ILE 51 HA ILE 51 -31.325 -6.524 -27.214 988 HB ILE 51 HB ILE 51 -32.103 -8.173 -25.456 989 HG12 ILE 51 2HG1 ILE 51 -30.257 -8.686 -23.625 990 HG13 ILE 51 3HG1 ILE 51 -29.763 -7.018 -23.866 991 HG21 ILE 51 1HG2 ILE 51 -29.176 -8.384 -26.272 992 HG22 ILE 51 2HG2 ILE 51 -30.569 -8.834 -27.259 993 HG23 ILE 51 3HG2 ILE 51 -30.213 -9.729 -25.783 994 HD11 ILE 51 1HD1 ILE 51 -32.497 -7.919 -22.962 995 HD12 ILE 51 2HD1 ILE 51 -31.935 -6.253 -23.094 996 HD13 ILE 51 3HD1 ILE 51 -31.206 -7.337 -21.911 997 H GLU 52 H GLU 52 -30.901 -4.499 -24.474 998 HA GLU 52 HA GLU 52 -33.610 -3.895 -23.864 999 HB2 GLU 52 2HB GLU 52 -32.615 -1.862 -22.778 1000 HB3 GLU 52 3HB GLU 52 -31.838 -3.364 -22.286 1001 HG2 GLU 52 2HG GLU 52 -30.022 -2.891 -23.979 1002 HG3 GLU 52 3HG GLU 52 -30.770 -1.316 -24.256 1003 H ASP 53 H ASP 53 -34.594 -1.690 -24.296 1004 HA ASP 53 HA ASP 53 -34.665 -1.294 -27.173 1005 HB2 ASP 53 2HB ASP 53 -36.707 -0.191 -26.867 1006 HB3 ASP 53 3HB ASP 53 -36.703 -1.281 -25.493 1007 H GLY 54 H GLY 54 -34.930 1.124 -27.865 1008 HA2 GLY 54 2HA GLY 54 -33.284 3.096 -26.566 1009 HA3 GLY 54 3HA GLY 54 -32.523 2.395 -27.997 1010 H VAL 55 H VAL 55 -35.791 3.472 -27.062 1011 HA VAL 55 HA VAL 55 -36.606 4.255 -29.630 1012 HB VAL 55 HB VAL 55 -38.273 3.770 -27.918 1013 HG11 VAL 55 1HG1 VAL 55 -37.328 6.256 -26.464 1014 HG12 VAL 55 2HG1 VAL 55 -37.120 4.586 -25.927 1015 HG13 VAL 55 3HG1 VAL 55 -38.740 5.285 -26.025 1016 HG21 VAL 55 1HG2 VAL 55 -38.981 5.264 -29.741 1017 HG22 VAL 55 2HG2 VAL 55 -38.486 6.676 -28.804 1018 HG23 VAL 55 3HG2 VAL 55 -39.827 5.669 -28.247 1019 HA PRO 56 HA PRO 56 -34.733 8.438 -29.665 1020 HB2 PRO 56 2HB PRO 56 -34.425 8.668 -32.315 1021 HB3 PRO 56 3HB PRO 56 -33.436 7.490 -31.432 1022 HG2 PRO 56 2HG PRO 56 -35.823 7.007 -33.177 1023 HG3 PRO 56 3HG PRO 56 -34.363 6.017 -32.967 1024 HD2 PRO 56 2HD PRO 56 -36.858 5.623 -31.650 1025 HD3 PRO 56 3HD PRO 56 -35.321 4.817 -31.271 1026 H GLN 57 H GLN 57 -35.435 10.294 -31.507 1027 HA GLN 57 HA GLN 57 -38.377 10.227 -31.856 1028 HB2 GLN 57 2HB GLN 57 -38.529 12.617 -31.615 1029 HB3 GLN 57 3HB GLN 57 -37.737 11.975 -30.191 1030 HG2 GLN 57 2HG GLN 57 -36.311 13.367 -32.484 1031 HG3 GLN 57 3HG GLN 57 -36.822 14.157 -31.000 1032 HE21 GLN 57 1HE2 GLN 57 -34.535 11.993 -32.451 1033 HE22 GLN 57 2HE2 GLN 57 -33.432 11.936 -31.121 1034 HA PRO 58 HA PRO 58 -37.284 10.272 -36.297 1035 HB2 PRO 58 2HB PRO 58 -39.885 11.261 -37.017 1036 HB3 PRO 58 3HB PRO 58 -39.368 9.570 -36.981 1037 HG2 PRO 58 2HG PRO 58 -40.864 11.122 -34.924 1038 HG3 PRO 58 3HG PRO 58 -41.019 9.410 -35.380 1039 HD2 PRO 58 2HD PRO 58 -39.791 10.110 -33.103 1040 HD3 PRO 58 3HD PRO 58 -39.166 8.760 -34.078 1041 H GLU 59 H GLU 59 -39.085 12.996 -34.787 1042 HA GLU 59 HA GLU 59 -37.022 14.860 -35.662 1043 HB2 GLU 59 2HB GLU 59 -38.531 14.876 -37.607 1044 HB3 GLU 59 3HB GLU 59 -39.906 15.228 -36.562 1045 HG2 GLU 59 2HG GLU 59 -39.004 17.431 -36.015 1046 HG3 GLU 59 3HG GLU 59 -37.518 17.081 -36.903 1047 H ALA 60 H ALA 60 -40.332 14.866 -34.350 1048 HA ALA 60 HA ALA 60 -41.381 15.926 -32.697 1049 HB1 ALA 60 1HB ALA 60 -38.680 16.151 -31.313 1050 HB2 ALA 60 2HB ALA 60 -39.789 14.785 -31.194 1051 HB3 ALA 60 3HB ALA 60 -40.265 16.358 -30.557 1052 H LEU 61 H LEU 61 -41.502 17.467 -34.591 1053 HA LEU 61 HA LEU 61 -40.270 20.051 -34.328 1054 HB2 LEU 61 2HB LEU 61 -41.081 19.121 -36.500 1055 HB3 LEU 61 3HB LEU 61 -42.735 19.226 -35.921 1056 HG LEU 61 HG LEU 61 -42.527 21.718 -35.814 1057 HD11 LEU 61 1HD1 LEU 61 -40.611 22.866 -36.812 1058 HD12 LEU 61 2HD1 LEU 61 -39.777 21.322 -37.018 1059 HD13 LEU 61 3HD1 LEU 61 -40.138 21.927 -35.398 1060 HD21 LEU 61 1HD2 LEU 61 -41.814 20.566 -38.526 1061 HD22 LEU 61 2HD2 LEU 61 -42.560 22.140 -38.222 1062 HD23 LEU 61 3HD2 LEU 61 -43.434 20.661 -37.828 1063 H GLU 62 H GLU 62 -40.661 20.710 -32.252 1064 HA GLU 62 HA GLU 62 -43.407 20.894 -31.207 1065 HB2 GLU 62 2HB GLU 62 -42.215 21.322 -28.991 1066 HB3 GLU 62 3HB GLU 62 -41.964 19.732 -29.699 1067 HG2 GLU 62 2HG GLU 62 -39.754 20.462 -30.547 1068 HG3 GLU 62 3HG GLU 62 -39.994 22.038 -29.791 Start of MODEL 19 1 H1 MET 1 1H MET 1 -3.875 -24.436 -10.829 2 H2 MET 1 2H MET 1 -5.396 -23.973 -10.261 3 H3 MET 1 3H MET 1 -4.073 -22.930 -10.091 4 HA MET 1 HA MET 1 -5.285 -23.799 -12.636 5 HB2 MET 1 2HB MET 1 -6.739 -22.210 -11.455 6 HB3 MET 1 3HB MET 1 -5.391 -21.117 -11.185 7 HG2 MET 1 2HG MET 1 -5.237 -20.838 -13.706 8 HG3 MET 1 3HG MET 1 -6.748 -21.743 -13.827 9 HE1 MET 1 1HE MET 1 -6.149 -18.717 -14.957 10 HE2 MET 1 2HE MET 1 -7.668 -17.915 -14.559 11 HE3 MET 1 3HE MET 1 -7.684 -19.542 -15.241 12 H GLU 2 H GLU 2 -3.868 -23.744 -14.277 13 HA GLU 2 HA GLU 2 -1.303 -22.421 -14.194 14 HB2 GLU 2 2HB GLU 2 -2.790 -23.698 -16.544 15 HB3 GLU 2 3HB GLU 2 -1.087 -23.231 -16.534 16 HG2 GLU 2 2HG GLU 2 -0.602 -24.918 -14.809 17 HG3 GLU 2 3HG GLU 2 -2.309 -25.360 -14.727 18 H GLU 3 H GLU 3 -0.673 -20.673 -15.665 19 HA GLU 3 HA GLU 3 -2.512 -18.502 -15.577 20 HB2 GLU 3 2HB GLU 3 -0.060 -18.177 -15.404 21 HB3 GLU 3 3HB GLU 3 0.131 -18.692 -17.079 22 HG2 GLU 3 2HG GLU 3 -1.252 -16.731 -17.805 23 HG3 GLU 3 3HG GLU 3 -1.330 -16.192 -16.127 24 H LEU 4 H LEU 4 -4.348 -19.116 -16.753 25 HA LEU 4 HA LEU 4 -4.180 -19.442 -19.671 26 HB2 LEU 4 2HB LEU 4 -6.636 -19.361 -17.850 27 HB3 LEU 4 3HB LEU 4 -6.631 -19.786 -19.558 28 HG LEU 4 HG LEU 4 -5.443 -21.396 -17.257 29 HD11 LEU 4 1HD1 LEU 4 -7.043 -23.119 -17.916 30 HD12 LEU 4 2HD1 LEU 4 -7.689 -22.060 -19.174 31 HD13 LEU 4 3HD1 LEU 4 -7.854 -21.619 -17.471 32 HD21 LEU 4 1HD2 LEU 4 -4.771 -23.092 -18.912 33 HD22 LEU 4 2HD2 LEU 4 -3.913 -21.574 -19.148 34 HD23 LEU 4 3HD2 LEU 4 -5.244 -22.005 -20.225 35 H SER 5 H SER 5 -3.649 -17.542 -20.582 36 HA SER 5 HA SER 5 -4.759 -15.002 -19.588 37 HB2 SER 5 2HB SER 5 -2.284 -15.212 -19.848 38 HB3 SER 5 3HB SER 5 -2.494 -15.532 -21.568 39 HG SER 5 HG SER 5 -2.432 -13.173 -20.255 40 H GLY 6 H GLY 6 -4.998 -13.332 -21.560 41 HA2 GLY 6 2HA GLY 6 -5.744 -12.979 -23.828 42 HA3 GLY 6 3HA GLY 6 -6.513 -14.559 -23.807 43 H LYS 7 H LYS 7 -7.587 -14.064 -21.084 44 HA LYS 7 HA LYS 7 -9.867 -12.278 -21.733 45 HB2 LYS 7 2HB LYS 7 -11.316 -13.723 -20.523 46 HB3 LYS 7 3HB LYS 7 -10.280 -14.827 -21.412 47 HG2 LYS 7 2HG LYS 7 -9.938 -14.120 -18.472 48 HG3 LYS 7 3HG LYS 7 -10.804 -15.536 -19.067 49 HD2 LYS 7 2HD LYS 7 -7.842 -14.952 -19.437 50 HD3 LYS 7 3HD LYS 7 -8.555 -16.115 -18.313 51 HE2 LYS 7 2HE LYS 7 -8.663 -16.254 -21.353 52 HE3 LYS 7 3HE LYS 7 -7.699 -17.274 -20.284 53 HZ1 LYS 7 1HZ LYS 7 -9.694 -18.213 -19.381 54 HZ2 LYS 7 2HZ LYS 7 -9.739 -18.352 -21.064 55 HZ3 LYS 7 3HZ LYS 7 -10.664 -17.170 -20.290 56 HA PRO 8 HA PRO 8 -8.871 -9.713 -18.153 57 HB2 PRO 8 2HB PRO 8 -11.297 -9.325 -16.851 58 HB3 PRO 8 3HB PRO 8 -10.865 -8.510 -18.371 59 HG2 PRO 8 2HG PRO 8 -12.553 -10.971 -17.962 60 HG3 PRO 8 3HG PRO 8 -12.842 -9.576 -19.034 61 HD2 PRO 8 2HD PRO 8 -11.850 -11.892 -19.999 62 HD3 PRO 8 3HD PRO 8 -11.332 -10.324 -20.648 63 H LEU 9 H LEU 9 -9.249 -9.585 -15.608 64 HA LEU 9 HA LEU 9 -8.198 -12.015 -14.550 65 HB2 LEU 9 2HB LEU 9 -8.317 -10.742 -12.299 66 HB3 LEU 9 3HB LEU 9 -7.272 -10.116 -13.552 67 HG LEU 9 HG LEU 9 -9.037 -8.370 -14.084 68 HD11 LEU 9 1HD1 LEU 9 -11.038 -9.418 -13.169 69 HD12 LEU 9 2HD1 LEU 9 -10.776 -7.838 -12.440 70 HD13 LEU 9 3HD1 LEU 9 -10.383 -9.301 -11.533 71 HD21 LEU 9 1HD2 LEU 9 -8.491 -6.918 -12.191 72 HD22 LEU 9 2HD2 LEU 9 -7.080 -7.822 -12.736 73 HD23 LEU 9 3HD2 LEU 9 -7.927 -8.315 -11.266 74 H SER 10 H SER 10 -9.031 -13.259 -12.787 75 HA SER 10 HA SER 10 -11.812 -13.976 -12.997 76 HB2 SER 10 2HB SER 10 -9.684 -15.006 -11.057 77 HB3 SER 10 3HB SER 10 -11.217 -15.797 -11.453 78 HG SER 10 HG SER 10 -8.866 -15.577 -12.956 79 H TYR 11 H TYR 11 -13.107 -14.332 -10.916 80 HA TYR 11 HA TYR 11 -13.564 -11.847 -9.650 81 HB2 TYR 11 2HB TYR 11 -15.414 -13.413 -9.977 82 HB3 TYR 11 3HB TYR 11 -14.614 -14.631 -8.986 83 HD1 TYR 11 HD1 TYR 11 -15.500 -10.975 -8.532 84 HD2 TYR 11 HD2 TYR 11 -15.685 -14.935 -6.902 85 HE1 TYR 11 HE1 TYR 11 -16.642 -10.108 -6.528 86 HE2 TYR 11 HE2 TYR 11 -16.825 -14.055 -4.913 87 HH TYR 11 HH TYR 11 -17.003 -11.941 -3.691 88 H ALA 12 H ALA 12 -11.967 -14.833 -8.565 89 HA ALA 12 HA ALA 12 -11.450 -14.169 -5.894 90 HB1 ALA 12 1HB ALA 12 -9.695 -15.902 -5.996 91 HB2 ALA 12 2HB ALA 12 -9.789 -15.902 -7.760 92 HB3 ALA 12 3HB ALA 12 -11.171 -16.442 -6.804 93 H GLU 13 H GLU 13 -9.676 -13.455 -8.871 94 HA GLU 13 HA GLU 13 -7.379 -12.249 -7.702 95 HB2 GLU 13 2HB GLU 13 -8.519 -11.917 -10.518 96 HB3 GLU 13 3HB GLU 13 -6.896 -11.435 -10.005 97 HG2 GLU 13 2HG GLU 13 -6.418 -13.839 -9.467 98 HG3 GLU 13 3HG GLU 13 -7.998 -14.265 -10.131 99 H LYS 14 H LYS 14 -10.440 -10.992 -8.974 100 HA LYS 14 HA LYS 14 -9.907 -8.225 -8.871 101 HB2 LYS 14 2HB LYS 14 -11.787 -9.159 -10.133 102 HB3 LYS 14 3HB LYS 14 -12.524 -9.750 -8.646 103 HG2 LYS 14 2HG LYS 14 -12.714 -7.319 -7.892 104 HG3 LYS 14 3HG LYS 14 -12.201 -6.856 -9.521 105 HD2 LYS 14 2HD LYS 14 -14.700 -8.430 -8.764 106 HD3 LYS 14 3HD LYS 14 -14.636 -6.764 -9.358 107 HE2 LYS 14 2HE LYS 14 -13.666 -7.634 -11.506 108 HE3 LYS 14 3HE LYS 14 -13.890 -9.272 -10.906 109 HZ1 LYS 14 1HZ LYS 14 -16.041 -7.290 -11.361 110 HZ2 LYS 14 2HZ LYS 14 -16.248 -8.863 -10.775 111 HZ3 LYS 14 3HZ LYS 14 -15.673 -8.615 -12.343 112 H GLU 15 H GLU 15 -11.698 -10.315 -6.601 113 HA GLU 15 HA GLU 15 -12.276 -8.342 -4.701 114 HB2 GLU 15 2HB GLU 15 -13.034 -10.130 -3.241 115 HB3 GLU 15 3HB GLU 15 -13.550 -10.462 -4.891 116 HG2 GLU 15 2HG GLU 15 -11.782 -12.127 -5.149 117 HG3 GLU 15 3HG GLU 15 -11.150 -11.756 -3.549 118 H LYS 16 H LYS 16 -9.559 -10.742 -4.835 119 HA LYS 16 HA LYS 16 -8.456 -9.990 -2.330 120 HB2 LYS 16 2HB LYS 16 -6.538 -11.276 -2.835 121 HB3 LYS 16 3HB LYS 16 -7.873 -12.120 -3.611 122 HG2 LYS 16 2HG LYS 16 -7.207 -11.260 -5.796 123 HG3 LYS 16 3HG LYS 16 -5.949 -10.263 -5.067 124 HD2 LYS 16 2HD LYS 16 -4.957 -12.255 -6.063 125 HD3 LYS 16 3HD LYS 16 -4.770 -12.304 -4.310 126 HE2 LYS 16 2HE LYS 16 -6.711 -13.866 -4.178 127 HE3 LYS 16 3HE LYS 16 -6.833 -13.831 -5.940 128 HZ1 LYS 16 1HZ LYS 16 -4.581 -14.753 -6.052 129 HZ2 LYS 16 2HZ LYS 16 -5.630 -15.775 -5.207 130 HZ3 LYS 16 3HZ LYS 16 -4.513 -14.828 -4.362 131 H LEU 17 H LEU 17 -8.205 -8.646 -5.554 132 HA LEU 17 HA LEU 17 -5.886 -7.046 -5.078 133 HB2 LEU 17 2HB LEU 17 -7.236 -7.870 -7.347 134 HB3 LEU 17 3HB LEU 17 -7.745 -6.202 -7.263 135 HG LEU 17 HG LEU 17 -5.787 -6.487 -8.733 136 HD11 LEU 17 1HD1 LEU 17 -5.070 -4.955 -6.218 137 HD12 LEU 17 2HD1 LEU 17 -6.054 -4.350 -7.556 138 HD13 LEU 17 3HD1 LEU 17 -4.360 -4.744 -7.824 139 HD21 LEU 17 1HD2 LEU 17 -4.293 -7.440 -6.254 140 HD22 LEU 17 2HD2 LEU 17 -3.607 -7.184 -7.864 141 HD23 LEU 17 3HD2 LEU 17 -4.792 -8.462 -7.612 142 H LYS 18 H LYS 18 -9.425 -6.311 -5.186 143 HA LYS 18 HA LYS 18 -9.107 -3.532 -4.737 144 HB2 LYS 18 2HB LYS 18 -11.547 -3.443 -4.340 145 HB3 LYS 18 3HB LYS 18 -11.156 -4.362 -5.780 146 HG2 LYS 18 2HG LYS 18 -12.837 -5.674 -4.854 147 HG3 LYS 18 3HG LYS 18 -11.392 -6.460 -4.217 148 HD2 LYS 18 2HD LYS 18 -11.699 -5.164 -2.076 149 HD3 LYS 18 3HD LYS 18 -13.208 -4.513 -2.725 150 HE2 LYS 18 2HE LYS 18 -12.617 -7.460 -2.249 151 HE3 LYS 18 3HE LYS 18 -13.569 -6.427 -1.182 152 HZ1 LYS 18 1HZ LYS 18 -14.999 -7.742 -2.598 153 HZ2 LYS 18 2HZ LYS 18 -14.262 -7.130 -3.992 154 HZ3 LYS 18 3HZ LYS 18 -15.162 -6.106 -2.993 155 H GLU 19 H GLU 19 -9.536 -6.280 -2.525 156 HA GLU 19 HA GLU 19 -9.752 -4.650 -0.159 157 HB2 GLU 19 2HB GLU 19 -9.683 -6.702 1.110 158 HB3 GLU 19 3HB GLU 19 -10.664 -6.997 -0.323 159 HG2 GLU 19 2HG GLU 19 -8.681 -8.052 -1.397 160 HG3 GLU 19 3HG GLU 19 -7.795 -7.872 0.114 161 H LYS 20 H LYS 20 -7.081 -6.177 -1.965 162 HA LYS 20 HA LYS 20 -4.981 -5.669 -0.186 163 HB2 LYS 20 2HB LYS 20 -4.150 -6.960 -1.893 164 HB3 LYS 20 3HB LYS 20 -5.178 -6.215 -3.104 165 HG2 LYS 20 2HG LYS 20 -3.670 -4.408 -3.460 166 HG3 LYS 20 3HG LYS 20 -2.772 -4.762 -1.979 167 HD2 LYS 20 2HD LYS 20 -2.843 -6.592 -4.408 168 HD3 LYS 20 3HD LYS 20 -1.579 -5.397 -4.099 169 HE2 LYS 20 2HE LYS 20 -1.136 -6.595 -1.886 170 HE3 LYS 20 3HE LYS 20 -2.232 -7.864 -2.443 171 HZ1 LYS 20 1HZ LYS 20 0.294 -7.014 -3.761 172 HZ2 LYS 20 2HZ LYS 20 -0.777 -8.173 -4.374 173 HZ3 LYS 20 3HZ LYS 20 0.028 -8.459 -2.918 174 H LEU 21 H LEU 21 -6.413 -3.627 -2.710 175 HA LEU 21 HA LEU 21 -4.653 -1.451 -2.593 176 HB2 LEU 21 2HB LEU 21 -7.609 -1.436 -3.337 177 HB3 LEU 21 3HB LEU 21 -6.453 -0.170 -3.735 178 HG LEU 21 HG LEU 21 -6.336 -3.023 -4.779 179 HD11 LEU 21 1HD1 LEU 21 -7.257 -0.526 -6.190 180 HD12 LEU 21 2HD1 LEU 21 -8.252 -1.902 -5.707 181 HD13 LEU 21 3HD1 LEU 21 -7.010 -2.107 -6.938 182 HD21 LEU 21 1HD2 LEU 21 -4.619 -2.225 -6.323 183 HD22 LEU 21 2HD2 LEU 21 -4.110 -2.031 -4.648 184 HD23 LEU 21 3HD2 LEU 21 -4.664 -0.627 -5.569 185 H ALA 22 H ALA 22 -7.783 -2.020 -0.969 186 HA ALA 22 HA ALA 22 -7.872 0.394 0.537 187 HB1 ALA 22 1HB ALA 22 -9.879 -0.956 0.040 188 HB2 ALA 22 2HB ALA 22 -9.695 -0.719 1.779 189 HB3 ALA 22 3HB ALA 22 -9.259 -2.268 1.051 190 H PHE 23 H PHE 23 -6.535 -2.823 1.206 191 HA PHE 23 HA PHE 23 -6.175 -2.577 4.009 192 HB2 PHE 23 2HB PHE 23 -6.225 -4.774 2.864 193 HB3 PHE 23 3HB PHE 23 -4.762 -4.379 1.980 194 HD1 PHE 23 HD1 PHE 23 -6.103 -5.112 5.393 195 HD2 PHE 23 HD2 PHE 23 -2.611 -4.836 2.933 196 HE1 PHE 23 HE1 PHE 23 -4.754 -6.177 7.159 197 HE2 PHE 23 HE2 PHE 23 -1.279 -5.878 4.704 198 HZ PHE 23 HZ PHE 23 -2.347 -6.562 6.818 199 H LEU 24 H LEU 24 -3.832 -2.356 1.325 200 HA LEU 24 HA LEU 24 -1.698 -1.498 2.948 201 HB2 LEU 24 2HB LEU 24 -0.438 -1.133 0.897 202 HB3 LEU 24 3HB LEU 24 -1.246 -2.684 0.901 203 HG LEU 24 HG LEU 24 -3.016 -1.545 -0.661 204 HD11 LEU 24 1HD1 LEU 24 -0.768 0.442 -1.036 205 HD12 LEU 24 2HD1 LEU 24 -2.369 0.777 -0.374 206 HD13 LEU 24 3HD1 LEU 24 -2.200 0.292 -2.056 207 HD21 LEU 24 1HD2 LEU 24 -1.694 -2.029 -2.675 208 HD22 LEU 24 2HD2 LEU 24 -1.474 -3.272 -1.447 209 HD23 LEU 24 3HD2 LEU 24 -0.213 -2.062 -1.709 210 H LYS 25 H LYS 25 -4.233 0.225 1.253 211 HA LYS 25 HA LYS 25 -3.085 2.832 1.329 212 HB2 LYS 25 2HB LYS 25 -4.882 2.297 -0.211 213 HB3 LYS 25 3HB LYS 25 -5.972 1.905 1.111 214 HG2 LYS 25 2HG LYS 25 -5.991 4.264 1.811 215 HG3 LYS 25 3HG LYS 25 -4.867 4.667 0.509 216 HD2 LYS 25 2HD LYS 25 -7.710 3.616 0.185 217 HD3 LYS 25 3HD LYS 25 -7.167 5.274 -0.106 218 HE2 LYS 25 2HE LYS 25 -5.696 4.443 -1.939 219 HE3 LYS 25 3HE LYS 25 -6.294 2.807 -1.658 220 HZ1 LYS 25 1HZ LYS 25 -7.960 5.119 -2.504 221 HZ2 LYS 25 2HZ LYS 25 -8.498 3.531 -2.268 222 HZ3 LYS 25 3HZ LYS 25 -7.402 3.876 -3.510 223 H LYS 26 H LYS 26 -5.333 1.119 3.538 224 HA LYS 26 HA LYS 26 -5.845 3.417 5.159 225 HB2 LYS 26 2HB LYS 26 -7.114 1.942 6.610 226 HB3 LYS 26 3HB LYS 26 -7.487 1.574 4.934 227 HG2 LYS 26 2HG LYS 26 -5.955 -0.407 5.080 228 HG3 LYS 26 3HG LYS 26 -5.719 -0.050 6.796 229 HD2 LYS 26 2HD LYS 26 -8.145 -0.369 7.195 230 HD3 LYS 26 3HD LYS 26 -8.388 -0.707 5.477 231 HE2 LYS 26 2HE LYS 26 -8.317 -2.801 6.734 232 HE3 LYS 26 3HE LYS 26 -6.900 -2.694 5.686 233 HZ1 LYS 26 1HZ LYS 26 -6.280 -3.472 7.867 234 HZ2 LYS 26 2HZ LYS 26 -6.972 -2.121 8.604 235 HZ3 LYS 26 3HZ LYS 26 -5.610 -1.939 7.618 236 H GLU 27 H GLU 27 -3.673 0.579 5.460 237 HA GLU 27 HA GLU 27 -2.593 1.360 7.980 238 HB2 GLU 27 2HB GLU 27 -0.860 -0.280 7.655 239 HB3 GLU 27 3HB GLU 27 -2.360 -0.968 7.061 240 HG2 GLU 27 2HG GLU 27 -1.669 -0.562 4.748 241 HG3 GLU 27 3HG GLU 27 -0.177 0.191 5.305 242 H TYR 28 H TYR 28 -1.721 2.018 4.562 243 HA TYR 28 HA TYR 28 0.725 3.295 4.828 244 HB2 TYR 28 2HB TYR 28 -0.152 2.827 2.610 245 HB3 TYR 28 3HB TYR 28 -1.549 3.848 2.878 246 HD1 TYR 28 HD1 TYR 28 2.119 3.877 2.263 247 HD2 TYR 28 HD2 TYR 28 -1.447 6.240 2.409 248 HE1 TYR 28 HE1 TYR 28 3.307 5.743 1.193 249 HE2 TYR 28 HE2 TYR 28 -0.255 8.098 1.337 250 HH TYR 28 HH TYR 28 2.049 8.900 1.051 251 H SER 29 H SER 29 -2.541 4.652 5.091 252 HA SER 29 HA SER 29 -1.821 7.342 5.439 253 HB2 SER 29 2HB SER 29 -4.104 6.642 4.794 254 HB3 SER 29 3HB SER 29 -4.335 5.879 6.369 255 HG SER 29 HG SER 29 -3.700 8.621 6.085 256 H ARG 30 H ARG 30 -2.685 4.819 7.868 257 HA ARG 30 HA ARG 30 -2.329 6.595 10.105 258 HB2 ARG 30 2HB ARG 30 -2.664 3.565 9.972 259 HB3 ARG 30 3HB ARG 30 -2.624 4.484 11.479 260 HG2 ARG 30 2HG ARG 30 -4.621 5.774 10.698 261 HG3 ARG 30 3HG ARG 30 -4.690 4.749 9.261 262 HD2 ARG 30 2HD ARG 30 -5.134 2.791 10.628 263 HD3 ARG 30 3HD ARG 30 -4.893 3.717 12.114 264 HE ARG 30 HE ARG 30 -6.944 4.912 10.582 265 HH11 ARG 30 1HH1 ARG 30 -6.400 2.034 12.537 266 HH12 ARG 30 2HH1 ARG 30 -8.072 1.861 12.966 267 HH21 ARG 30 1HH2 ARG 30 -9.120 4.669 11.129 268 HH22 ARG 30 2HH2 ARG 30 -9.625 3.368 12.158 269 H THR 31 H THR 31 -0.211 4.254 8.543 270 HA THR 31 HA THR 31 1.711 4.186 10.684 271 HB THR 31 HB THR 31 1.195 2.172 9.191 272 HG1 THR 31 HG1 THR 31 3.565 1.652 9.122 273 HG21 THR 31 1HG2 THR 31 2.494 1.889 7.126 274 HG22 THR 31 2HG2 THR 31 3.111 3.537 7.262 275 HG23 THR 31 3HG2 THR 31 1.396 3.259 6.960 276 H LEU 32 H LEU 32 1.420 5.746 7.504 277 HA LEU 32 HA LEU 32 3.979 7.038 7.585 278 HB2 LEU 32 2HB LEU 32 2.776 6.725 5.474 279 HB3 LEU 32 3HB LEU 32 1.466 7.740 6.024 280 HG LEU 32 HG LEU 32 4.211 8.997 5.827 281 HD11 LEU 32 1HD1 LEU 32 3.953 9.492 3.456 282 HD12 LEU 32 2HD1 LEU 32 2.468 8.540 3.393 283 HD13 LEU 32 3HD1 LEU 32 4.013 7.749 3.708 284 HD21 LEU 32 1HD2 LEU 32 2.929 10.998 5.145 285 HD22 LEU 32 2HD2 LEU 32 2.340 10.363 6.680 286 HD23 LEU 32 3HD2 LEU 32 1.431 10.061 5.197 287 H ALA 33 H ALA 33 0.721 7.810 8.734 288 HA ALA 33 HA ALA 33 0.989 10.469 9.483 289 HB1 ALA 33 1HB ALA 33 -0.859 10.061 11.061 290 HB2 ALA 33 2HB ALA 33 -0.612 8.315 10.917 291 HB3 ALA 33 3HB ALA 33 -1.156 9.249 9.520 292 H ARG 34 H ARG 34 1.494 7.572 11.495 293 HA ARG 34 HA ARG 34 2.488 8.939 13.764 294 HB2 ARG 34 2HB ARG 34 3.030 6.722 14.664 295 HB3 ARG 34 3HB ARG 34 1.426 6.730 13.940 296 HG2 ARG 34 2HG ARG 34 2.412 5.649 11.899 297 HG3 ARG 34 3HG ARG 34 3.952 5.526 12.755 298 HD2 ARG 34 2HD ARG 34 1.328 4.236 13.569 299 HD3 ARG 34 3HD ARG 34 2.710 3.417 12.833 300 HE ARG 34 HE ARG 34 3.163 4.802 15.377 301 HH11 ARG 34 1HH1 ARG 34 2.744 1.705 13.751 302 HH12 ARG 34 2HH1 ARG 34 3.392 0.798 15.079 303 HH21 ARG 34 1HH2 ARG 34 4.016 3.596 17.073 304 HH22 ARG 34 2HH2 ARG 34 4.114 1.871 16.962 305 H LEU 35 H LEU 35 4.094 7.481 10.931 306 HA LEU 35 HA LEU 35 6.778 7.729 11.750 307 HB2 LEU 35 2HB LEU 35 5.688 6.714 9.539 308 HB3 LEU 35 3HB LEU 35 5.956 8.313 8.882 309 HG LEU 35 HG LEU 35 8.118 6.398 9.895 310 HD11 LEU 35 1HD1 LEU 35 7.167 5.668 7.773 311 HD12 LEU 35 2HD1 LEU 35 8.821 6.224 7.558 312 HD13 LEU 35 3HD1 LEU 35 7.476 7.254 7.057 313 HD21 LEU 35 1HD2 LEU 35 8.516 9.111 8.593 314 HD22 LEU 35 2HD2 LEU 35 9.789 7.953 8.996 315 HD23 LEU 35 3HD2 LEU 35 8.847 8.705 10.281 316 H GLN 36 H GLN 36 4.537 10.089 10.254 317 HA GLN 36 HA GLN 36 6.394 12.229 10.039 318 HB2 GLN 36 2HB GLN 36 3.358 12.362 10.095 319 HB3 GLN 36 3HB GLN 36 4.420 13.698 9.662 320 HG2 GLN 36 2HG GLN 36 4.037 11.113 8.135 321 HG3 GLN 36 3HG GLN 36 3.458 12.706 7.674 322 HE21 GLN 36 1HE2 GLN 36 5.165 10.827 6.218 323 HE22 GLN 36 2HE2 GLN 36 6.616 11.684 5.842 324 H ARG 37 H ARG 37 4.134 11.194 12.564 325 HA ARG 37 HA ARG 37 4.355 13.488 14.225 326 HB2 ARG 37 2HB ARG 37 3.750 10.596 15.026 327 HB3 ARG 37 3HB ARG 37 3.526 12.001 16.070 328 HG2 ARG 37 2HG ARG 37 2.026 11.415 13.495 329 HG3 ARG 37 3HG ARG 37 1.396 11.250 15.134 330 HD2 ARG 37 2HD ARG 37 1.731 13.736 15.434 331 HD3 ARG 37 3HD ARG 37 2.184 13.835 13.729 332 HE ARG 37 HE ARG 37 -0.123 12.790 13.339 333 HH11 ARG 37 1HH1 ARG 37 0.546 15.037 15.960 334 HH12 ARG 37 2HH1 ARG 37 -1.085 15.607 16.052 335 HH21 ARG 37 1HH2 ARG 37 -2.270 13.523 13.491 336 HH22 ARG 37 2HH2 ARG 37 -2.684 14.747 14.649 337 H ALA 38 H ALA 38 6.311 10.595 13.802 338 HA ALA 38 HA ALA 38 8.073 11.061 16.022 339 HB1 ALA 38 1HB ALA 38 9.420 9.243 15.061 340 HB2 ALA 38 2HB ALA 38 8.462 9.300 13.576 341 HB3 ALA 38 3HB ALA 38 7.708 8.810 15.093 342 H LYS 39 H LYS 39 8.463 11.529 12.469 343 HA LYS 39 HA LYS 39 11.122 12.581 12.756 344 HB2 LYS 39 2HB LYS 39 11.148 12.726 10.307 345 HB3 LYS 39 3HB LYS 39 10.581 11.151 10.852 346 HG2 LYS 39 2HG LYS 39 8.299 11.681 10.289 347 HG3 LYS 39 3HG LYS 39 8.697 13.371 9.984 348 HD2 LYS 39 2HD LYS 39 9.723 11.017 8.343 349 HD3 LYS 39 3HD LYS 39 8.353 12.036 7.898 350 HE2 LYS 39 2HE LYS 39 9.879 14.014 7.845 351 HE3 LYS 39 3HE LYS 39 11.236 12.945 8.207 352 HZ1 LYS 39 1HZ LYS 39 9.497 12.743 5.813 353 HZ2 LYS 39 2HZ LYS 39 10.845 11.786 6.157 354 HZ3 LYS 39 3HZ LYS 39 11.041 13.435 5.846 355 H ARG 40 H ARG 40 7.981 14.063 11.974 356 HA ARG 40 HA ARG 40 9.119 16.609 11.228 357 HB2 ARG 40 2HB ARG 40 6.198 15.896 11.770 358 HB3 ARG 40 3HB ARG 40 6.768 17.406 11.046 359 HG2 ARG 40 2HG ARG 40 7.029 14.632 9.830 360 HG3 ARG 40 3HG ARG 40 5.859 15.868 9.360 361 HD2 ARG 40 2HD ARG 40 8.881 16.092 9.088 362 HD3 ARG 40 3HD ARG 40 7.745 15.729 7.786 363 HE ARG 40 HE ARG 40 7.705 18.289 9.283 364 HH11 ARG 40 1HH1 ARG 40 7.628 16.578 6.182 365 HH12 ARG 40 2HH1 ARG 40 7.386 18.030 5.265 366 HH21 ARG 40 1HH2 ARG 40 7.382 20.165 8.044 367 HH22 ARG 40 2HH2 ARG 40 7.249 20.052 6.317 368 H ALA 41 H ALA 41 7.011 15.503 13.884 369 HA ALA 41 HA ALA 41 7.051 17.941 15.346 370 HB1 ALA 41 1HB ALA 41 6.291 15.143 16.247 371 HB2 ALA 41 2HB ALA 41 5.205 16.317 15.505 372 HB3 ALA 41 3HB ALA 41 5.902 16.643 17.093 373 H GLU 42 H GLU 42 8.580 14.741 15.904 374 HA GLU 42 HA GLU 42 10.071 13.954 17.408 375 HB2 GLU 42 2HB GLU 42 11.490 16.572 16.741 376 HB3 GLU 42 3HB GLU 42 12.254 15.170 17.497 377 HG2 GLU 42 2HG GLU 42 11.763 13.826 15.486 378 HG3 GLU 42 3HG GLU 42 11.006 15.222 14.731 379 H LYS 43 H LYS 43 7.884 15.207 18.524 380 HA LYS 43 HA LYS 43 8.260 16.846 20.720 381 HB2 LYS 43 2HB LYS 43 6.188 15.917 21.635 382 HB3 LYS 43 3HB LYS 43 6.027 16.143 19.899 383 HG2 LYS 43 2HG LYS 43 6.627 13.459 21.200 384 HG3 LYS 43 3HG LYS 43 4.996 14.031 20.833 385 HD2 LYS 43 2HD LYS 43 5.588 14.129 18.414 386 HD3 LYS 43 3HD LYS 43 7.213 13.545 18.792 387 HE2 LYS 43 2HE LYS 43 5.794 11.724 17.971 388 HE3 LYS 43 3HE LYS 43 6.269 11.446 19.647 389 HZ1 LYS 43 1HZ LYS 43 3.641 12.529 18.762 390 HZ2 LYS 43 2HZ LYS 43 4.102 12.244 20.361 391 HZ3 LYS 43 3HZ LYS 43 3.929 10.949 19.291 392 H ALA 44 H ALA 44 9.172 13.509 20.315 393 HA ALA 44 HA ALA 44 9.967 13.188 23.141 394 HB1 ALA 44 1HB ALA 44 10.171 10.792 22.566 395 HB2 ALA 44 2HB ALA 44 9.776 11.155 20.882 396 HB3 ALA 44 3HB ALA 44 8.570 11.409 22.145 397 H LYS 45 H LYS 45 11.451 14.997 21.333 398 HA LYS 45 HA LYS 45 13.955 13.681 20.693 399 HB2 LYS 45 2HB LYS 45 14.821 15.878 20.052 400 HB3 LYS 45 3HB LYS 45 13.235 15.632 19.339 401 HG2 LYS 45 2HG LYS 45 12.206 17.187 20.868 402 HG3 LYS 45 3HG LYS 45 13.659 17.270 21.866 403 HD2 LYS 45 2HD LYS 45 13.383 19.287 20.464 404 HD3 LYS 45 3HD LYS 45 14.874 18.428 20.077 405 HE2 LYS 45 2HE LYS 45 13.801 19.193 18.027 406 HE3 LYS 45 3HE LYS 45 13.731 17.433 18.081 407 HZ1 LYS 45 1HZ LYS 45 11.644 18.314 17.358 408 HZ2 LYS 45 2HZ LYS 45 11.525 19.316 18.710 409 HZ3 LYS 45 3HZ LYS 45 11.431 17.643 18.894 410 H ASN 46 H ASN 46 12.678 15.529 23.351 411 HA ASN 46 HA ASN 46 13.365 16.264 25.319 412 HB2 ASN 46 2HB ASN 46 13.710 13.852 25.735 413 HB3 ASN 46 3HB ASN 46 15.346 13.950 25.106 414 HD21 ASN 46 1HD2 ASN 46 16.904 15.074 26.304 415 HD22 ASN 46 2HD2 ASN 46 16.749 15.313 28.014 416 H SER 47 H SER 47 14.065 18.301 24.757 417 HA SER 47 HA SER 47 16.962 18.773 24.775 418 HB2 SER 47 2HB SER 47 16.383 18.762 22.378 419 HB3 SER 47 3HB SER 47 15.118 19.960 22.653 420 HG SER 47 HG SER 47 16.586 21.454 22.579 421 H LYS 48 H LYS 48 14.152 20.934 24.162 422 HA LYS 48 HA LYS 48 14.970 22.571 26.495 423 HB2 LYS 48 2HB LYS 48 13.355 23.351 24.024 424 HB3 LYS 48 3HB LYS 48 13.703 24.430 25.375 425 HG2 LYS 48 2HG LYS 48 15.749 23.176 23.510 426 HG3 LYS 48 3HG LYS 48 15.196 24.856 23.478 427 HD2 LYS 48 2HD LYS 48 16.186 25.265 25.684 428 HD3 LYS 48 3HD LYS 48 16.632 23.563 25.840 429 HE2 LYS 48 2HE LYS 48 18.172 23.803 23.921 430 HE3 LYS 48 3HE LYS 48 17.737 25.512 23.793 431 HZ1 LYS 48 1HZ LYS 48 18.597 25.849 26.026 432 HZ2 LYS 48 2HZ LYS 48 19.787 25.216 25.009 433 HZ3 LYS 48 3HZ LYS 48 19.022 24.214 26.135 434 H LYS 49 H LYS 49 13.164 23.825 27.503 435 HA LYS 49 HA LYS 49 11.060 22.061 28.462 436 HB2 LYS 49 2HB LYS 49 11.657 24.989 29.122 437 HB3 LYS 49 3HB LYS 49 10.558 23.938 30.014 438 HG2 LYS 49 2HG LYS 49 13.528 23.343 29.747 439 HG3 LYS 49 3HG LYS 49 12.881 24.369 31.028 440 HD2 LYS 49 2HD LYS 49 12.071 21.461 30.565 441 HD3 LYS 49 3HD LYS 49 13.275 22.002 31.740 442 HE2 LYS 49 2HE LYS 49 11.482 23.402 32.830 443 HE3 LYS 49 3HE LYS 49 10.309 22.666 31.735 444 HZ1 LYS 49 1HZ LYS 49 11.963 21.254 33.751 445 HZ2 LYS 49 2HZ LYS 49 10.920 20.500 32.662 446 HZ3 LYS 49 3HZ LYS 49 10.299 21.543 33.833 447 H ALA 50 H ALA 50 8.803 22.676 28.425 448 HA ALA 50 HA ALA 50 7.767 23.831 26.024 449 HB1 ALA 50 1HB ALA 50 5.551 23.514 27.110 450 HB2 ALA 50 2HB ALA 50 6.358 23.134 28.635 451 HB3 ALA 50 3HB ALA 50 6.550 22.063 27.246 452 H ILE 51 H ILE 51 7.800 25.969 25.631 453 HA ILE 51 HA ILE 51 8.456 27.936 27.596 454 HB ILE 51 HB ILE 51 8.300 29.579 25.707 455 HG12 ILE 51 2HG1 ILE 51 8.109 28.393 23.304 456 HG13 ILE 51 3HG1 ILE 51 7.152 27.203 24.170 457 HG21 ILE 51 1HG2 ILE 51 9.879 27.056 25.090 458 HG22 ILE 51 2HG2 ILE 51 10.384 28.373 26.153 459 HG23 ILE 51 3HG2 ILE 51 10.202 28.661 24.422 460 HD11 ILE 51 1HD1 ILE 51 6.534 30.150 23.985 461 HD12 ILE 51 2HD1 ILE 51 5.541 28.917 24.767 462 HD13 ILE 51 3HD1 ILE 51 5.792 28.871 23.023 463 H GLU 52 H GLU 52 5.479 26.828 26.262 464 HA GLU 52 HA GLU 52 3.924 28.936 27.632 465 HB2 GLU 52 2HB GLU 52 1.968 28.128 26.456 466 HB3 GLU 52 3HB GLU 52 3.253 28.415 25.289 467 HG2 GLU 52 2HG GLU 52 2.525 25.669 26.377 468 HG3 GLU 52 3HG GLU 52 1.848 26.347 24.898 469 H ASP 53 H ASP 53 1.825 27.940 28.727 470 HA ASP 53 HA ASP 53 2.694 26.342 30.908 471 HB2 ASP 53 2HB ASP 53 -0.117 27.165 30.048 472 HB3 ASP 53 3HB ASP 53 0.235 26.333 31.560 473 H GLY 54 H GLY 54 3.133 24.223 30.778 474 HA2 GLY 54 2HA GLY 54 1.805 22.442 28.896 475 HA3 GLY 54 3HA GLY 54 3.057 22.014 30.056 476 H VAL 55 H VAL 55 -0.271 23.304 30.181 477 HA VAL 55 HA VAL 55 -0.879 21.904 32.622 478 HB VAL 55 HB VAL 55 -1.830 24.125 32.287 479 HG11 VAL 55 1HG1 VAL 55 -3.375 22.991 29.932 480 HG12 VAL 55 2HG1 VAL 55 -2.040 24.143 29.842 481 HG13 VAL 55 3HG1 VAL 55 -3.563 24.617 30.601 482 HG21 VAL 55 1HG2 VAL 55 -4.030 22.016 32.309 483 HG22 VAL 55 2HG2 VAL 55 -4.202 23.682 32.869 484 HG23 VAL 55 3HG2 VAL 55 -3.112 22.577 33.711 485 HA PRO 56 HA PRO 56 -2.454 18.252 30.406 486 HB2 PRO 56 2HB PRO 56 -2.812 16.624 32.527 487 HB3 PRO 56 3HB PRO 56 -1.173 17.113 32.039 488 HG2 PRO 56 2HG PRO 56 -2.873 18.198 34.277 489 HG3 PRO 56 3HG PRO 56 -1.140 17.792 34.276 490 HD2 PRO 56 2HD PRO 56 -2.122 20.361 33.918 491 HD3 PRO 56 3HD PRO 56 -0.533 19.812 33.348 492 H GLN 57 H GLN 57 -4.428 16.627 31.180 493 HA GLN 57 HA GLN 57 -6.836 18.233 31.116 494 HB2 GLN 57 2HB GLN 57 -6.707 15.220 31.460 495 HB3 GLN 57 3HB GLN 57 -8.094 16.159 30.950 496 HG2 GLN 57 2HG GLN 57 -7.307 15.103 28.989 497 HG3 GLN 57 3HG GLN 57 -6.751 16.771 28.862 498 HE21 GLN 57 1HE2 GLN 57 -5.173 14.331 30.898 499 HE22 GLN 57 2HE2 GLN 57 -3.728 14.232 29.959 500 HA PRO 58 HA PRO 58 -6.553 18.529 35.620 501 HB2 PRO 58 2HB PRO 58 -8.804 20.082 36.066 502 HB3 PRO 58 3HB PRO 58 -7.271 20.727 35.437 503 HG2 PRO 58 2HG PRO 58 -9.745 19.945 33.912 504 HG3 PRO 58 3HG PRO 58 -8.715 21.386 33.721 505 HD2 PRO 58 2HD PRO 58 -8.477 19.242 32.058 506 HD3 PRO 58 3HD PRO 58 -7.066 20.219 32.532 507 H GLU 59 H GLU 59 -9.989 18.089 34.591 508 HA GLU 59 HA GLU 59 -10.556 16.754 37.126 509 HB2 GLU 59 2HB GLU 59 -12.455 17.449 34.840 510 HB3 GLU 59 3HB GLU 59 -12.913 16.973 36.477 511 HG2 GLU 59 2HG GLU 59 -11.469 19.525 35.678 512 HG3 GLU 59 3HG GLU 59 -13.166 19.391 36.135 513 H ALA 60 H ALA 60 -10.607 15.999 33.664 514 HA ALA 60 HA ALA 60 -11.022 13.132 34.270 515 HB1 ALA 60 1HB ALA 60 -12.437 12.951 32.271 516 HB2 ALA 60 2HB ALA 60 -12.297 14.687 31.985 517 HB3 ALA 60 3HB ALA 60 -13.130 14.093 33.424 518 H LEU 61 H LEU 61 -9.033 12.349 33.884 519 HA LEU 61 HA LEU 61 -7.835 12.698 31.201 520 HB2 LEU 61 2HB LEU 61 -5.571 12.525 32.182 521 HB3 LEU 61 3HB LEU 61 -6.406 13.980 32.676 522 HG LEU 61 HG LEU 61 -6.221 11.549 34.509 523 HD11 LEU 61 1HD1 LEU 61 -3.933 12.210 33.910 524 HD12 LEU 61 2HD1 LEU 61 -4.287 12.578 35.596 525 HD13 LEU 61 3HD1 LEU 61 -4.275 13.874 34.396 526 HD21 LEU 61 1HD2 LEU 61 -6.692 14.494 35.122 527 HD22 LEU 61 2HD2 LEU 61 -6.613 13.189 36.309 528 HD23 LEU 61 3HD2 LEU 61 -7.923 13.229 35.132 529 H GLU 62 H GLU 62 -9.670 10.707 32.418 530 HA GLU 62 HA GLU 62 -8.464 8.402 31.174 531 HB2 GLU 62 2HB GLU 62 -7.625 8.119 33.495 532 HB3 GLU 62 3HB GLU 62 -9.272 8.209 34.114 533 HG2 GLU 62 2HG GLU 62 -9.849 6.148 32.864 534 HG3 GLU 62 3HG GLU 62 -8.194 6.052 32.261 535 H1 MET 1 1H MET 1 15.245 -7.800 22.404 536 H2 MET 1 2H MET 1 15.714 -6.981 23.803 537 H3 MET 1 3H MET 1 16.514 -6.684 22.343 538 HA MET 1 HA MET 1 15.015 -4.915 22.939 539 HB2 MET 1 2HB MET 1 13.811 -4.782 20.752 540 HB3 MET 1 3HB MET 1 15.500 -5.228 20.583 541 HG2 MET 1 2HG MET 1 14.863 -7.570 20.217 542 HG3 MET 1 3HG MET 1 13.158 -7.140 20.404 543 HE1 MET 1 1HE MET 1 12.531 -8.178 17.959 544 HE2 MET 1 2HE MET 1 14.212 -8.701 17.839 545 HE3 MET 1 3HE MET 1 13.469 -7.805 16.514 546 H GLU 2 H GLU 2 13.239 -4.366 23.980 547 HA GLU 2 HA GLU 2 10.794 -5.990 23.947 548 HB2 GLU 2 2HB GLU 2 12.212 -6.692 25.933 549 HB3 GLU 2 3HB GLU 2 12.115 -5.041 26.544 550 HG2 GLU 2 2HG GLU 2 9.669 -5.255 26.762 551 HG3 GLU 2 3HG GLU 2 9.738 -6.895 26.114 552 H GLU 3 H GLU 3 8.894 -4.712 24.511 553 HA GLU 3 HA GLU 3 8.973 -2.116 23.354 554 HB2 GLU 3 2HB GLU 3 6.991 -3.566 23.156 555 HB3 GLU 3 3HB GLU 3 6.735 -3.492 24.900 556 HG2 GLU 3 2HG GLU 3 6.383 -1.006 24.678 557 HG3 GLU 3 3HG GLU 3 6.490 -1.190 22.928 558 H LEU 4 H LEU 4 10.074 -0.570 24.429 559 HA LEU 4 HA LEU 4 9.179 0.229 27.142 560 HB2 LEU 4 2HB LEU 4 11.731 1.028 25.666 561 HB3 LEU 4 3HB LEU 4 11.276 1.532 27.291 562 HG LEU 4 HG LEU 4 12.010 -1.295 26.416 563 HD11 LEU 4 1HD1 LEU 4 13.942 -1.024 27.878 564 HD12 LEU 4 2HD1 LEU 4 13.451 0.631 28.256 565 HD13 LEU 4 3HD1 LEU 4 13.931 0.200 26.610 566 HD21 LEU 4 1HD2 LEU 4 11.141 -0.311 29.158 567 HD22 LEU 4 2HD2 LEU 4 11.784 -1.917 28.799 568 HD23 LEU 4 3HD2 LEU 4 10.249 -1.413 28.102 569 H SER 5 H SER 5 8.489 2.364 27.435 570 HA SER 5 HA SER 5 7.573 3.755 24.989 571 HB2 SER 5 2HB SER 5 5.855 2.995 26.674 572 HB3 SER 5 3HB SER 5 6.573 4.089 27.855 573 HG SER 5 HG SER 5 5.349 4.767 25.386 574 H GLY 6 H GLY 6 7.479 6.194 25.112 575 HA2 GLY 6 2HA GLY 6 8.107 8.261 26.122 576 HA3 GLY 6 3HA GLY 6 9.426 7.462 26.951 577 H LYS 7 H LYS 7 9.592 6.306 23.886 578 HA LYS 7 HA LYS 7 11.352 8.493 22.904 579 HB2 LYS 7 2HB LYS 7 12.981 6.910 22.115 580 HB3 LYS 7 3HB LYS 7 12.639 6.455 23.777 581 HG2 LYS 7 2HG LYS 7 11.344 5.073 21.400 582 HG3 LYS 7 3HG LYS 7 12.896 4.562 22.061 583 HD2 LYS 7 2HD LYS 7 10.341 4.707 23.708 584 HD3 LYS 7 3HD LYS 7 10.877 3.254 22.858 585 HE2 LYS 7 2HE LYS 7 12.507 4.696 24.989 586 HE3 LYS 7 3HE LYS 7 11.503 3.269 25.273 587 HZ1 LYS 7 1HZ LYS 7 13.899 3.439 23.521 588 HZ2 LYS 7 2HZ LYS 7 12.874 2.095 23.594 589 HZ3 LYS 7 3HZ LYS 7 13.743 2.569 24.962 590 HA PRO 8 HA PRO 8 9.104 7.860 18.967 591 HB2 PRO 8 2HB PRO 8 10.930 8.643 17.091 592 HB3 PRO 8 3HB PRO 8 10.179 9.816 18.198 593 HG2 PRO 8 2HG PRO 8 12.892 8.515 18.393 594 HG3 PRO 8 3HG PRO 8 12.441 10.223 18.633 595 HD2 PRO 8 2HD PRO 8 12.790 8.496 20.723 596 HD3 PRO 8 3HD PRO 8 11.666 9.867 20.787 597 H LEU 9 H LEU 9 9.968 6.888 16.552 598 HA LEU 9 HA LEU 9 10.359 4.090 17.036 599 HB2 LEU 9 2HB LEU 9 10.426 3.949 14.472 600 HB3 LEU 9 3HB LEU 9 8.955 4.543 15.212 601 HG LEU 9 HG LEU 9 9.701 6.909 14.623 602 HD11 LEU 9 1HD1 LEU 9 12.089 6.601 14.303 603 HD12 LEU 9 2HD1 LEU 9 11.356 7.236 12.833 604 HD13 LEU 9 3HD1 LEU 9 11.800 5.528 12.929 605 HD21 LEU 9 1HD2 LEU 9 9.250 5.008 12.309 606 HD22 LEU 9 2HD2 LEU 9 9.001 6.757 12.282 607 HD23 LEU 9 3HD2 LEU 9 8.004 5.746 13.324 608 H SER 10 H SER 10 12.045 2.787 16.228 609 HA SER 10 HA SER 10 14.733 3.833 16.477 610 HB2 SER 10 2HB SER 10 13.758 1.002 15.843 611 HB3 SER 10 3HB SER 10 15.388 1.460 16.352 612 HG SER 10 HG SER 10 13.021 1.298 17.838 613 H TYR 11 H TYR 11 16.399 3.048 14.803 614 HA TYR 11 HA TYR 11 15.824 4.189 12.282 615 HB2 TYR 11 2HB TYR 11 18.114 4.217 13.134 616 HB3 TYR 11 3HB TYR 11 18.175 2.456 13.164 617 HD1 TYR 11 HD1 TYR 11 17.237 5.068 10.602 618 HD2 TYR 11 HD2 TYR 11 19.572 1.578 11.464 619 HE1 TYR 11 HE1 TYR 11 18.128 5.092 8.308 620 HE2 TYR 11 HE2 TYR 11 20.458 1.613 9.172 621 HH TYR 11 HH TYR 11 19.789 2.472 6.947 622 H ALA 12 H ALA 12 16.059 0.812 13.364 623 HA ALA 12 HA ALA 12 15.735 -0.505 10.925 624 HB1 ALA 12 1HB ALA 12 15.028 -2.442 12.276 625 HB2 ALA 12 2HB ALA 12 14.816 -1.392 13.681 626 HB3 ALA 12 3HB ALA 12 16.425 -1.635 12.997 627 H GLU 13 H GLU 13 13.364 0.797 13.195 628 HA GLU 13 HA GLU 13 11.007 -0.201 11.942 629 HB2 GLU 13 2HB GLU 13 11.343 2.148 13.872 630 HB3 GLU 13 3HB GLU 13 9.804 1.390 13.448 631 HG2 GLU 13 2HG GLU 13 10.675 -0.763 14.413 632 HG3 GLU 13 3HG GLU 13 12.119 0.108 14.937 633 H LYS 14 H LYS 14 12.802 2.850 11.771 634 HA LYS 14 HA LYS 14 11.034 4.380 10.198 635 HB2 LYS 14 2HB LYS 14 12.902 5.384 11.424 636 HB3 LYS 14 3HB LYS 14 14.063 4.499 10.439 637 HG2 LYS 14 2HG LYS 14 13.178 5.781 8.418 638 HG3 LYS 14 3HG LYS 14 12.235 6.760 9.550 639 HD2 LYS 14 2HD LYS 14 15.271 6.514 9.440 640 HD3 LYS 14 3HD LYS 14 14.306 7.919 8.967 641 HE2 LYS 14 2HE LYS 14 13.515 8.096 11.346 642 HE3 LYS 14 3HE LYS 14 14.604 6.781 11.772 643 HZ1 LYS 14 1HZ LYS 14 15.444 9.396 10.642 644 HZ2 LYS 14 2HZ LYS 14 16.463 8.127 11.098 645 HZ3 LYS 14 3HZ LYS 14 15.550 8.930 12.267 646 H GLU 15 H GLU 15 13.955 2.565 9.262 647 HA GLU 15 HA GLU 15 13.793 3.069 6.517 648 HB2 GLU 15 2HB GLU 15 15.553 1.438 6.229 649 HB3 GLU 15 3HB GLU 15 15.871 2.392 7.673 650 HG2 GLU 15 2HG GLU 15 15.159 0.560 9.107 651 HG3 GLU 15 3HG GLU 15 14.668 -0.398 7.710 652 H LYS 16 H LYS 16 12.606 0.239 8.427 653 HA LYS 16 HA LYS 16 11.723 -1.221 6.159 654 HB2 LYS 16 2HB LYS 16 10.630 -2.724 7.616 655 HB3 LYS 16 3HB LYS 16 12.049 -2.182 8.502 656 HG2 LYS 16 2HG LYS 16 10.682 -0.710 9.886 657 HG3 LYS 16 3HG LYS 16 9.245 -1.083 8.936 658 HD2 LYS 16 2HD LYS 16 9.199 -2.321 11.042 659 HD3 LYS 16 3HD LYS 16 9.357 -3.446 9.691 660 HE2 LYS 16 2HE LYS 16 11.811 -3.592 10.156 661 HE3 LYS 16 3HE LYS 16 11.589 -2.515 11.535 662 HZ1 LYS 16 1HZ LYS 16 10.122 -4.185 12.521 663 HZ2 LYS 16 2HZ LYS 16 11.675 -4.790 12.246 664 HZ3 LYS 16 3HZ LYS 16 10.408 -5.223 11.213 665 H LEU 17 H LEU 17 10.323 1.382 8.044 666 HA LEU 17 HA LEU 17 7.637 1.045 7.135 667 HB2 LEU 17 2HB LEU 17 8.814 2.448 9.203 668 HB3 LEU 17 3HB LEU 17 8.456 3.754 8.101 669 HG LEU 17 HG LEU 17 6.667 3.447 9.770 670 HD11 LEU 17 1HD1 LEU 17 5.733 2.689 6.987 671 HD12 LEU 17 2HD1 LEU 17 6.064 4.330 7.558 672 HD13 LEU 17 3HD1 LEU 17 4.753 3.401 8.276 673 HD21 LEU 17 1HD2 LEU 17 6.263 0.683 8.554 674 HD22 LEU 17 2HD2 LEU 17 5.280 1.430 9.820 675 HD23 LEU 17 3HD2 LEU 17 6.960 1.013 10.148 676 H LYS 18 H LYS 18 10.299 3.306 6.216 677 HA LYS 18 HA LYS 18 8.744 4.750 4.338 678 HB2 LYS 18 2HB LYS 18 10.864 5.766 3.554 679 HB3 LYS 18 3HB LYS 18 10.731 5.791 5.302 680 HG2 LYS 18 2HG LYS 18 12.964 5.206 5.036 681 HG3 LYS 18 3HG LYS 18 12.209 3.621 5.202 682 HD2 LYS 18 2HD LYS 18 12.208 3.413 2.694 683 HD3 LYS 18 3HD LYS 18 13.076 4.948 2.597 684 HE2 LYS 18 2HE LYS 18 14.085 2.444 3.998 685 HE3 LYS 18 3HE LYS 18 14.571 2.973 2.387 686 HZ1 LYS 18 1HZ LYS 18 16.210 3.627 4.011 687 HZ2 LYS 18 2HZ LYS 18 15.053 4.447 4.925 688 HZ3 LYS 18 3HZ LYS 18 15.464 5.015 3.390 689 H GLU 19 H GLU 19 10.816 1.884 4.034 690 HA GLU 19 HA GLU 19 10.609 1.742 1.166 691 HB2 GLU 19 2HB GLU 19 11.752 -0.375 1.316 692 HB3 GLU 19 3HB GLU 19 12.492 0.710 2.490 693 HG2 GLU 19 2HG GLU 19 11.159 -0.340 4.277 694 HG3 GLU 19 3HG GLU 19 10.476 -1.465 3.106 695 H LYS 20 H LYS 20 8.762 0.431 3.918 696 HA LYS 20 HA LYS 20 7.014 -1.256 2.536 697 HB2 LYS 20 2HB LYS 20 6.650 -1.556 4.783 698 HB3 LYS 20 3HB LYS 20 6.967 0.125 5.170 699 HG2 LYS 20 2HG LYS 20 4.737 0.797 4.686 700 HG3 LYS 20 3HG LYS 20 4.382 -0.712 3.835 701 HD2 LYS 20 2HD LYS 20 4.924 -0.523 6.821 702 HD3 LYS 20 3HD LYS 20 3.312 -0.515 6.096 703 HE2 LYS 20 2HE LYS 20 3.868 -2.779 5.068 704 HE3 LYS 20 3HE LYS 20 5.343 -2.778 6.041 705 HZ1 LYS 20 1HZ LYS 20 2.555 -2.697 7.076 706 HZ2 LYS 20 2HZ LYS 20 3.953 -2.609 8.032 707 HZ3 LYS 20 3HZ LYS 20 3.626 -4.009 7.150 708 H LEU 21 H LEU 21 6.815 2.230 3.199 709 HA LEU 21 HA LEU 21 4.273 2.751 2.153 710 HB2 LEU 21 2HB LEU 21 6.677 4.622 2.249 711 HB3 LEU 21 3HB LEU 21 5.003 5.126 2.041 712 HG LEU 21 HG LEU 21 6.115 3.768 4.526 713 HD11 LEU 21 1HD1 LEU 21 5.452 6.675 4.092 714 HD12 LEU 21 2HD1 LEU 21 7.056 5.973 4.319 715 HD13 LEU 21 3HD1 LEU 21 5.884 5.927 5.634 716 HD21 LEU 21 1HD2 LEU 21 3.995 4.337 5.597 717 HD22 LEU 21 2HD2 LEU 21 3.746 3.268 4.219 718 HD23 LEU 21 3HD2 LEU 21 3.382 4.991 4.074 719 H ALA 22 H ALA 22 7.501 2.970 0.654 720 HA ALA 22 HA ALA 22 6.659 3.777 -1.944 721 HB1 ALA 22 1HB ALA 22 8.946 4.142 -1.091 722 HB2 ALA 22 2HB ALA 22 8.978 3.226 -2.601 723 HB3 ALA 22 3HB ALA 22 9.225 2.396 -1.062 724 H PHE 23 H PHE 23 7.205 0.600 -0.450 725 HA PHE 23 HA PHE 23 7.228 -1.000 -2.794 726 HB2 PHE 23 2HB PHE 23 8.154 -1.788 -0.631 727 HB3 PHE 23 3HB PHE 23 6.562 -1.727 0.103 728 HD1 PHE 23 HD1 PHE 23 8.636 -3.534 -2.427 729 HD2 PHE 23 HD2 PHE 23 5.068 -3.613 -0.056 730 HE1 PHE 23 HE1 PHE 23 8.292 -5.903 -2.998 731 HE2 PHE 23 HE2 PHE 23 4.732 -5.968 -0.651 732 HZ PHE 23 HZ PHE 23 6.345 -7.120 -2.114 733 H LEU 24 H LEU 24 4.667 -0.477 -0.356 734 HA LEU 24 HA LEU 24 2.686 -1.856 -1.798 735 HB2 LEU 24 2HB LEU 24 1.086 -1.062 -0.147 736 HB3 LEU 24 3HB LEU 24 2.531 -1.701 0.598 737 HG LEU 24 HG LEU 24 3.235 0.804 0.920 738 HD11 LEU 24 1HD1 LEU 24 0.278 1.241 0.467 739 HD12 LEU 24 2HD1 LEU 24 1.598 1.869 -0.521 740 HD13 LEU 24 3HD1 LEU 24 1.411 2.418 1.140 741 HD21 LEU 24 1HD2 LEU 24 1.999 0.983 3.037 742 HD22 LEU 24 2HD2 LEU 24 2.619 -0.648 2.791 743 HD23 LEU 24 3HD2 LEU 24 0.906 -0.308 2.521 744 H LYS 25 H LYS 25 3.731 1.488 -1.835 745 HA LYS 25 HA LYS 25 1.491 2.604 -3.198 746 HB2 LYS 25 2HB LYS 25 3.031 3.996 -1.939 747 HB3 LYS 25 3HB LYS 25 4.377 3.528 -2.969 748 HG2 LYS 25 2HG LYS 25 3.347 4.706 -4.866 749 HG3 LYS 25 3HG LYS 25 1.972 5.154 -3.853 750 HD2 LYS 25 2HD LYS 25 4.865 6.035 -3.472 751 HD3 LYS 25 3HD LYS 25 3.545 7.032 -4.092 752 HE2 LYS 25 2HE LYS 25 2.387 6.825 -1.899 753 HE3 LYS 25 3HE LYS 25 3.736 5.860 -1.295 754 HZ1 LYS 25 1HZ LYS 25 3.938 8.675 -2.220 755 HZ2 LYS 25 2HZ LYS 25 5.187 7.736 -1.563 756 HZ3 LYS 25 3HZ LYS 25 3.866 8.168 -0.606 757 H LYS 26 H LYS 26 4.645 1.325 -4.375 758 HA LYS 26 HA LYS 26 4.231 2.169 -7.073 759 HB2 LYS 26 2HB LYS 26 6.265 0.959 -7.636 760 HB3 LYS 26 3HB LYS 26 6.511 1.860 -6.146 761 HG2 LYS 26 2HG LYS 26 6.163 -0.272 -4.865 762 HG3 LYS 26 3HG LYS 26 6.059 -1.133 -6.407 763 HD2 LYS 26 2HD LYS 26 8.366 -0.415 -6.959 764 HD3 LYS 26 3HD LYS 26 8.466 0.458 -5.425 765 HE2 LYS 26 2HE LYS 26 9.617 -1.684 -5.227 766 HE3 LYS 26 3HE LYS 26 8.172 -1.705 -4.213 767 HZ1 LYS 26 1HZ LYS 26 8.401 -3.762 -5.436 768 HZ2 LYS 26 2HZ LYS 26 8.433 -2.933 -6.907 769 HZ3 LYS 26 3HZ LYS 26 7.025 -2.938 -5.969 770 H GLU 27 H GLU 27 3.794 -0.945 -5.340 771 HA GLU 27 HA GLU 27 2.897 -2.393 -7.626 772 HB2 GLU 27 2HB GLU 27 2.166 -4.140 -6.138 773 HB3 GLU 27 3HB GLU 27 3.683 -3.520 -5.511 774 HG2 GLU 27 2HG GLU 27 2.485 -2.260 -3.783 775 HG3 GLU 27 3HG GLU 27 0.939 -2.830 -4.409 776 H TYR 28 H TYR 28 1.260 -0.425 -5.109 777 HA TYR 28 HA TYR 28 -1.420 -0.924 -5.637 778 HB2 TYR 28 2HB TYR 28 -0.807 0.450 -3.728 779 HB3 TYR 28 3HB TYR 28 -0.060 1.657 -4.755 780 HD1 TYR 28 HD1 TYR 28 -3.322 0.242 -3.668 781 HD2 TYR 28 HD2 TYR 28 -1.385 3.457 -5.709 782 HE1 TYR 28 HE1 TYR 28 -5.429 1.513 -3.672 783 HE2 TYR 28 HE2 TYR 28 -3.482 4.723 -5.706 784 HH TYR 28 HH TYR 28 -5.913 4.276 -5.582 785 H SER 29 H SER 29 0.762 1.425 -7.159 786 HA SER 29 HA SER 29 -1.116 2.639 -8.858 787 HB2 SER 29 2HB SER 29 1.057 3.686 -8.333 788 HB3 SER 29 3HB SER 29 1.910 2.391 -9.174 789 HG SER 29 HG SER 29 0.043 4.175 -10.364 790 H ARG 30 H ARG 30 1.278 0.014 -9.519 791 HA ARG 30 HA ARG 30 0.484 -0.248 -12.268 792 HB2 ARG 30 2HB ARG 30 2.207 -2.030 -10.496 793 HB3 ARG 30 3HB ARG 30 1.995 -2.277 -12.233 794 HG2 ARG 30 2HG ARG 30 2.949 -0.007 -12.639 795 HG3 ARG 30 3HG ARG 30 3.233 0.164 -10.904 796 HD2 ARG 30 2HD ARG 30 4.816 -1.679 -10.937 797 HD3 ARG 30 3HD ARG 30 4.431 -2.032 -12.627 798 HE ARG 30 HE ARG 30 5.325 0.638 -12.397 799 HH11 ARG 30 1HH1 ARG 30 6.603 -2.644 -12.278 800 HH12 ARG 30 2HH1 ARG 30 8.187 -2.172 -12.803 801 HH21 ARG 30 1HH2 ARG 30 7.387 1.244 -13.084 802 HH22 ARG 30 2HH2 ARG 30 8.630 0.045 -13.262 803 H THR 31 H THR 31 -0.454 -1.950 -9.337 804 HA THR 31 HA THR 31 -1.721 -4.137 -10.709 805 HB THR 31 HB THR 31 -0.536 -4.377 -8.451 806 HG1 THR 31 HG1 THR 31 -2.357 -5.844 -7.720 807 HG21 THR 31 1HG2 THR 31 -1.858 -4.039 -6.401 808 HG22 THR 31 2HG2 THR 31 -3.167 -3.322 -7.339 809 HG23 THR 31 3HG2 THR 31 -1.616 -2.494 -7.222 810 H LEU 32 H LEU 32 -2.763 -1.156 -9.071 811 HA LEU 32 HA LEU 32 -5.573 -1.598 -9.440 812 HB2 LEU 32 2HB LEU 32 -4.745 -0.012 -7.760 813 HB3 LEU 32 3HB LEU 32 -4.026 0.987 -9.002 814 HG LEU 32 HG LEU 32 -7.025 0.579 -9.091 815 HD11 LEU 32 1HD1 LEU 32 -7.439 2.418 -7.541 816 HD12 LEU 32 2HD1 LEU 32 -5.711 2.547 -7.197 817 HD13 LEU 32 3HD1 LEU 32 -6.603 1.103 -6.719 818 HD21 LEU 32 1HD2 LEU 32 -7.018 2.905 -9.931 819 HD22 LEU 32 2HD2 LEU 32 -5.958 1.874 -10.891 820 HD23 LEU 32 3HD2 LEU 32 -5.267 2.981 -9.703 821 H ALA 33 H ALA 33 -2.966 -0.167 -11.347 822 HA ALA 33 HA ALA 33 -4.380 1.077 -13.396 823 HB1 ALA 33 1HB ALA 33 -2.331 0.840 -14.741 824 HB2 ALA 33 2HB ALA 33 -1.707 -0.361 -13.601 825 HB3 ALA 33 3HB ALA 33 -1.948 1.313 -13.084 826 H ARG 34 H ARG 34 -3.049 -2.227 -13.307 827 HA ARG 34 HA ARG 34 -4.184 -3.081 -15.756 828 HB2 ARG 34 2HB ARG 34 -3.422 -5.326 -15.138 829 HB3 ARG 34 3HB ARG 34 -2.172 -4.129 -14.820 830 HG2 ARG 34 2HG ARG 34 -2.813 -4.173 -12.401 831 HG3 ARG 34 3HG ARG 34 -3.956 -5.472 -12.761 832 HD2 ARG 34 2HD ARG 34 -0.947 -5.556 -13.140 833 HD3 ARG 34 3HD ARG 34 -1.862 -6.356 -11.858 834 HE ARG 34 HE ARG 34 -2.506 -7.057 -14.642 835 HH11 ARG 34 1HH1 ARG 34 -0.932 -8.035 -11.642 836 HH12 ARG 34 2HH1 ARG 34 -0.851 -9.703 -12.099 837 HH21 ARG 34 1HH2 ARG 34 -2.413 -9.246 -15.204 838 HH22 ARG 34 2HH2 ARG 34 -1.689 -10.388 -14.118 839 H LEU 35 H LEU 35 -5.323 -3.246 -12.378 840 HA LEU 35 HA LEU 35 -7.608 -4.850 -12.740 841 HB2 LEU 35 2HB LEU 35 -6.552 -3.741 -10.558 842 HB3 LEU 35 3HB LEU 35 -7.669 -2.438 -10.891 843 HG LEU 35 HG LEU 35 -8.420 -5.337 -10.265 844 HD11 LEU 35 1HD1 LEU 35 -7.609 -4.145 -8.302 845 HD12 LEU 35 2HD1 LEU 35 -9.334 -4.461 -8.170 846 HD13 LEU 35 3HD1 LEU 35 -8.767 -2.839 -8.580 847 HD21 LEU 35 1HD2 LEU 35 -10.301 -2.996 -10.703 848 HD22 LEU 35 2HD2 LEU 35 -10.763 -4.612 -10.160 849 HD23 LEU 35 3HD2 LEU 35 -10.101 -4.384 -11.775 850 H GLN 36 H GLN 36 -7.084 -1.341 -13.247 851 HA GLN 36 HA GLN 36 -9.754 -0.700 -13.985 852 HB2 GLN 36 2HB GLN 36 -7.203 0.833 -14.615 853 HB3 GLN 36 3HB GLN 36 -8.838 1.449 -14.842 854 HG2 GLN 36 2HG GLN 36 -7.504 0.777 -12.210 855 HG3 GLN 36 3HG GLN 36 -7.847 2.384 -12.837 856 HE21 GLN 36 1HE2 GLN 36 -8.658 1.144 -10.315 857 HE22 GLN 36 2HE2 GLN 36 -10.382 1.214 -10.270 858 H ARG 37 H ARG 37 -6.887 -1.720 -15.795 859 HA ARG 37 HA ARG 37 -7.892 -1.264 -18.410 860 HB2 ARG 37 2HB ARG 37 -5.839 -3.334 -17.476 861 HB3 ARG 37 3HB ARG 37 -6.139 -2.903 -19.159 862 HG2 ARG 37 2HG ARG 37 -5.015 -1.083 -17.008 863 HG3 ARG 37 3HG ARG 37 -4.118 -1.823 -18.333 864 HD2 ARG 37 2HD ARG 37 -5.559 -0.516 -19.941 865 HD3 ARG 37 3HD ARG 37 -6.274 0.318 -18.554 866 HE ARG 37 HE ARG 37 -3.835 0.937 -18.038 867 HH11 ARG 37 1HH1 ARG 37 -5.102 0.660 -21.295 868 HH12 ARG 37 2HH1 ARG 37 -3.966 1.778 -21.968 869 HH21 ARG 37 1HH2 ARG 37 -2.340 2.402 -18.926 870 HH22 ARG 37 2HH2 ARG 37 -2.395 2.769 -20.621 871 H ALA 38 H ALA 38 -8.272 -3.875 -16.088 872 HA ALA 38 HA ALA 38 -9.615 -5.707 -17.854 873 HB1 ALA 38 1HB ALA 38 -10.062 -7.009 -15.813 874 HB2 ALA 38 2HB ALA 38 -9.518 -5.655 -14.816 875 HB3 ALA 38 3HB ALA 38 -8.376 -6.485 -15.874 876 H LYS 39 H LYS 39 -10.786 -3.560 -15.209 877 HA LYS 39 HA LYS 39 -13.530 -4.319 -15.600 878 HB2 LYS 39 2HB LYS 39 -14.036 -2.820 -13.720 879 HB3 LYS 39 3HB LYS 39 -12.706 -3.907 -13.342 880 HG2 LYS 39 2HG LYS 39 -11.085 -2.133 -13.579 881 HG3 LYS 39 3HG LYS 39 -12.298 -1.025 -14.217 882 HD2 LYS 39 2HD LYS 39 -12.293 -2.165 -11.389 883 HD3 LYS 39 3HD LYS 39 -11.678 -0.571 -11.839 884 HE2 LYS 39 2HE LYS 39 -13.950 0.061 -12.630 885 HE3 LYS 39 3HE LYS 39 -14.551 -1.522 -12.136 886 HZ1 LYS 39 1HZ LYS 39 -13.383 0.525 -10.330 887 HZ2 LYS 39 2HZ LYS 39 -13.943 -0.998 -9.861 888 HZ3 LYS 39 3HZ LYS 39 -15.025 0.147 -10.477 889 H ARG 40 H ARG 40 -11.684 -1.359 -16.316 890 HA ARG 40 HA ARG 40 -14.020 0.198 -16.993 891 HB2 ARG 40 2HB ARG 40 -11.074 0.841 -17.489 892 HB3 ARG 40 3HB ARG 40 -12.419 1.978 -17.666 893 HG2 ARG 40 2HG ARG 40 -11.496 0.691 -15.070 894 HG3 ARG 40 3HG ARG 40 -11.165 2.347 -15.584 895 HD2 ARG 40 2HD ARG 40 -13.907 1.182 -14.988 896 HD3 ARG 40 3HD ARG 40 -12.971 2.239 -13.927 897 HE ARG 40 HE ARG 40 -13.948 3.090 -16.594 898 HH11 ARG 40 1HH1 ARG 40 -13.513 3.757 -13.157 899 HH12 ARG 40 2HH1 ARG 40 -14.161 5.364 -13.261 900 HH21 ARG 40 1HH2 ARG 40 -14.815 5.185 -16.713 901 HH22 ARG 40 2HH2 ARG 40 -14.900 6.166 -15.281 902 H ALA 41 H ALA 41 -11.223 -1.068 -18.820 903 HA ALA 41 HA ALA 41 -12.170 -0.260 -21.382 904 HB1 ALA 41 1HB ALA 41 -10.011 -2.263 -20.658 905 HB2 ALA 41 2HB ALA 41 -9.775 -0.529 -20.899 906 HB3 ALA 41 3HB ALA 41 -10.271 -1.551 -22.250 907 H GLU 42 H GLU 42 -11.870 -3.466 -19.791 908 HA GLU 42 HA GLU 42 -12.510 -5.561 -20.388 909 HB2 GLU 42 2HB GLU 42 -15.136 -4.119 -20.959 910 HB3 GLU 42 3HB GLU 42 -14.966 -5.853 -20.699 911 HG2 GLU 42 2HG GLU 42 -14.186 -5.417 -18.395 912 HG3 GLU 42 3HG GLU 42 -14.388 -3.687 -18.660 913 H LYS 43 H LYS 43 -11.154 -4.273 -22.473 914 HA LYS 43 HA LYS 43 -12.105 -4.490 -25.053 915 HB2 LYS 43 2HB LYS 43 -9.795 -4.747 -25.788 916 HB3 LYS 43 3HB LYS 43 -9.821 -3.652 -24.415 917 HG2 LYS 43 2HG LYS 43 -8.981 -6.576 -24.341 918 HG3 LYS 43 3HG LYS 43 -7.890 -5.187 -24.347 919 HD2 LYS 43 2HD LYS 43 -8.829 -4.468 -22.143 920 HD3 LYS 43 3HD LYS 43 -9.891 -5.879 -22.148 921 HE2 LYS 43 2HE LYS 43 -7.953 -6.293 -20.737 922 HE3 LYS 43 3HE LYS 43 -7.911 -7.359 -22.143 923 HZ1 LYS 43 1HZ LYS 43 -5.737 -6.446 -21.703 924 HZ2 LYS 43 2HZ LYS 43 -6.325 -4.866 -21.787 925 HZ3 LYS 43 3HZ LYS 43 -6.304 -5.833 -23.173 926 H ALA 44 H ALA 44 -11.309 -7.066 -22.835 927 HA ALA 44 HA ALA 44 -11.719 -9.188 -24.850 928 HB1 ALA 44 1HB ALA 44 -10.622 -10.672 -23.196 929 HB2 ALA 44 2HB ALA 44 -10.493 -9.313 -22.072 930 HB3 ALA 44 3HB ALA 44 -9.605 -9.285 -23.595 931 H LYS 45 H LYS 45 -13.948 -7.609 -23.797 932 HA LYS 45 HA LYS 45 -15.494 -9.473 -22.142 933 HB2 LYS 45 2HB LYS 45 -17.329 -7.873 -22.274 934 HB3 LYS 45 3HB LYS 45 -15.854 -6.969 -21.954 935 HG2 LYS 45 2HG LYS 45 -15.758 -6.139 -24.209 936 HG3 LYS 45 3HG LYS 45 -16.990 -7.270 -24.754 937 HD2 LYS 45 2HD LYS 45 -17.945 -5.059 -24.619 938 HD3 LYS 45 3HD LYS 45 -18.681 -6.069 -23.375 939 HE2 LYS 45 2HE LYS 45 -18.231 -3.870 -22.461 940 HE3 LYS 45 3HE LYS 45 -17.138 -5.021 -21.696 941 HZ1 LYS 45 1HZ LYS 45 -15.934 -3.060 -22.268 942 HZ2 LYS 45 2HZ LYS 45 -16.482 -3.103 -23.864 943 HZ3 LYS 45 3HZ LYS 45 -15.416 -4.291 -23.308 944 H ASN 46 H ASN 46 -14.604 -9.426 -25.324 945 HA ASN 46 HA ASN 46 -15.347 -9.910 -27.368 946 HB2 ASN 46 2HB ASN 46 -15.954 -12.127 -26.395 947 HB3 ASN 46 3HB ASN 46 -17.556 -11.520 -25.999 948 HD21 ASN 46 1HD2 ASN 46 -15.811 -10.826 -29.020 949 HD22 ASN 46 2HD2 ASN 46 -16.901 -11.697 -30.033 950 H SER 47 H SER 47 -15.702 -7.657 -27.442 951 HA SER 47 HA SER 47 -18.433 -6.599 -27.256 952 HB2 SER 47 2HB SER 47 -16.446 -5.319 -26.350 953 HB3 SER 47 3HB SER 47 -15.837 -5.160 -27.997 954 HG SER 47 HG SER 47 -17.010 -3.412 -27.958 955 H LYS 48 H LYS 48 -18.803 -4.885 -29.198 956 HA LYS 48 HA LYS 48 -19.157 -6.364 -31.604 957 HB2 LYS 48 2HB LYS 48 -19.387 -3.345 -31.177 958 HB3 LYS 48 3HB LYS 48 -20.025 -4.245 -32.553 959 HG2 LYS 48 2HG LYS 48 -20.956 -4.420 -29.665 960 HG3 LYS 48 3HG LYS 48 -21.832 -3.710 -31.028 961 HD2 LYS 48 2HD LYS 48 -21.962 -5.971 -32.087 962 HD3 LYS 48 3HD LYS 48 -21.124 -6.660 -30.691 963 HE2 LYS 48 2HE LYS 48 -23.493 -7.061 -30.438 964 HE3 LYS 48 3HE LYS 48 -23.002 -5.866 -29.239 965 HZ1 LYS 48 1HZ LYS 48 -23.946 -4.130 -30.582 966 HZ2 LYS 48 2HZ LYS 48 -25.106 -5.332 -30.346 967 HZ3 LYS 48 3HZ LYS 48 -24.308 -5.214 -31.830 968 H LYS 49 H LYS 49 -18.301 -5.783 -33.717 969 HA LYS 49 HA LYS 49 -15.474 -5.661 -33.816 970 HB2 LYS 49 2HB LYS 49 -17.458 -5.193 -36.073 971 HB3 LYS 49 3HB LYS 49 -15.745 -5.564 -36.266 972 HG2 LYS 49 2HG LYS 49 -16.119 -7.799 -35.267 973 HG3 LYS 49 3HG LYS 49 -17.837 -7.425 -35.074 974 HD2 LYS 49 2HD LYS 49 -16.295 -7.693 -37.690 975 HD3 LYS 49 3HD LYS 49 -17.543 -8.782 -37.075 976 HE2 LYS 49 2HE LYS 49 -19.198 -6.900 -37.254 977 HE3 LYS 49 3HE LYS 49 -17.931 -5.903 -37.976 978 HZ1 LYS 49 1HZ LYS 49 -17.763 -7.535 -39.765 979 HZ2 LYS 49 2HZ LYS 49 -19.305 -6.856 -39.673 980 HZ3 LYS 49 3HZ LYS 49 -19.035 -8.421 -39.092 981 H ALA 50 H ALA 50 -14.351 -4.093 -35.345 982 HA ALA 50 HA ALA 50 -14.452 -1.482 -34.211 983 HB1 ALA 50 1HB ALA 50 -12.579 -0.988 -35.773 984 HB2 ALA 50 2HB ALA 50 -12.853 -2.536 -36.580 985 HB3 ALA 50 3HB ALA 50 -12.321 -2.498 -34.898 986 H ILE 51 H ILE 51 -15.445 0.349 -34.974 987 HA ILE 51 HA ILE 51 -16.874 0.383 -37.519 988 HB ILE 51 HB ILE 51 -17.347 2.841 -36.896 989 HG12 ILE 51 2HG1 ILE 51 -17.100 3.291 -34.320 990 HG13 ILE 51 3HG1 ILE 51 -15.886 2.022 -34.337 991 HG21 ILE 51 1HG2 ILE 51 -18.978 1.044 -36.532 992 HG22 ILE 51 2HG2 ILE 51 -19.078 2.233 -35.233 993 HG23 ILE 51 3HG2 ILE 51 -18.270 0.687 -34.953 994 HD11 ILE 51 1HD1 ILE 51 -14.922 4.263 -34.394 995 HD12 ILE 51 2HD1 ILE 51 -15.748 4.590 -35.918 996 HD13 ILE 51 3HD1 ILE 51 -14.504 3.339 -35.835 997 H GLU 52 H GLU 52 -13.753 0.802 -36.542 998 HA GLU 52 HA GLU 52 -12.901 2.612 -38.711 999 HB2 GLU 52 2HB GLU 52 -10.859 2.887 -37.341 1000 HB3 GLU 52 3HB GLU 52 -12.297 3.278 -36.398 1001 HG2 GLU 52 2HG GLU 52 -12.154 0.849 -35.519 1002 HG3 GLU 52 3HG GLU 52 -10.536 0.819 -36.214 1003 H ASP 53 H ASP 53 -10.525 1.964 -39.413 1004 HA ASP 53 HA ASP 53 -10.420 -0.920 -40.025 1005 HB2 ASP 53 2HB ASP 53 -8.838 -0.457 -41.732 1006 HB3 ASP 53 3HB ASP 53 -10.016 0.842 -41.857 1007 H GLY 54 H GLY 54 -8.198 -1.961 -39.831 1008 HA2 GLY 54 2HA GLY 54 -6.692 -1.065 -37.428 1009 HA3 GLY 54 3HA GLY 54 -7.326 -2.707 -37.546 1010 H VAL 55 H VAL 55 -5.052 -0.414 -38.943 1011 HA VAL 55 HA VAL 55 -3.410 -2.669 -39.926 1012 HB VAL 55 HB VAL 55 -4.155 -1.195 -41.769 1013 HG11 VAL 55 1HG1 VAL 55 -3.377 1.142 -41.980 1014 HG12 VAL 55 2HG1 VAL 55 -2.701 1.061 -40.350 1015 HG13 VAL 55 3HG1 VAL 55 -4.444 0.922 -40.590 1016 HG21 VAL 55 1HG2 VAL 55 -1.998 -2.321 -42.011 1017 HG22 VAL 55 2HG2 VAL 55 -1.171 -0.976 -41.220 1018 HG23 VAL 55 3HG2 VAL 55 -1.940 -0.739 -42.793 1019 HA PRO 56 HA PRO 56 -0.549 -1.216 -36.671 1020 HB2 PRO 56 2HB PRO 56 1.301 -3.339 -37.587 1021 HB3 PRO 56 3HB PRO 56 0.391 -3.245 -36.068 1022 HG2 PRO 56 2HG PRO 56 -0.184 -5.091 -37.970 1023 HG3 PRO 56 3HG PRO 56 -1.436 -4.395 -36.915 1024 HD2 PRO 56 2HD PRO 56 -0.726 -3.620 -39.750 1025 HD3 PRO 56 3HD PRO 56 -2.331 -3.907 -39.032 1026 H GLN 57 H GLN 57 2.197 -1.301 -36.888 1027 HA GLN 57 HA GLN 57 2.785 0.937 -38.519 1028 HB2 GLN 57 2HB GLN 57 4.624 -0.949 -36.997 1029 HB3 GLN 57 3HB GLN 57 5.219 0.453 -37.879 1030 HG2 GLN 57 2HG GLN 57 5.077 1.079 -35.581 1031 HG3 GLN 57 3HG GLN 57 3.767 1.908 -36.416 1032 HE21 GLN 57 1HE2 GLN 57 3.758 -1.502 -35.380 1033 HE22 GLN 57 2HE2 GLN 57 2.505 -1.320 -34.206 1034 HA PRO 58 HA PRO 58 3.316 -0.736 -42.578 1035 HB2 PRO 58 2HB PRO 58 5.562 0.823 -43.409 1036 HB3 PRO 58 3HB PRO 58 3.849 1.240 -43.597 1037 HG2 PRO 58 2HG PRO 58 5.790 2.110 -41.506 1038 HG3 PRO 58 3HG PRO 58 4.445 3.009 -42.239 1039 HD2 PRO 58 2HD PRO 58 4.247 2.017 -39.743 1040 HD3 PRO 58 3HD PRO 58 2.837 2.018 -40.832 1041 H GLU 59 H GLU 59 6.491 -0.248 -40.994 1042 HA GLU 59 HA GLU 59 7.278 -2.988 -41.847 1043 HB2 GLU 59 2HB GLU 59 9.050 -0.548 -41.385 1044 HB3 GLU 59 3HB GLU 59 9.668 -2.181 -41.617 1045 HG2 GLU 59 2HG GLU 59 8.044 -0.607 -43.647 1046 HG3 GLU 59 3HG GLU 59 9.797 -0.801 -43.665 1047 H ALA 60 H ALA 60 7.640 -0.538 -39.291 1048 HA ALA 60 HA ALA 60 7.984 -0.572 -37.072 1049 HB1 ALA 60 1HB ALA 60 7.142 -3.493 -37.160 1050 HB2 ALA 60 2HB ALA 60 6.058 -2.116 -36.968 1051 HB3 ALA 60 3HB ALA 60 7.244 -2.475 -35.716 1052 H LEU 61 H LEU 61 10.115 -1.252 -39.022 1053 HA LEU 61 HA LEU 61 11.906 -3.161 -37.852 1054 HB2 LEU 61 2HB LEU 61 11.926 -2.562 -40.272 1055 HB3 LEU 61 3HB LEU 61 12.467 -0.941 -39.870 1056 HG LEU 61 HG LEU 61 14.613 -1.886 -38.981 1057 HD11 LEU 61 1HD1 LEU 61 15.183 -4.252 -39.396 1058 HD12 LEU 61 2HD1 LEU 61 13.526 -4.556 -39.929 1059 HD13 LEU 61 3HD1 LEU 61 13.848 -4.076 -38.260 1060 HD21 LEU 61 1HD2 LEU 61 15.603 -2.514 -41.136 1061 HD22 LEU 61 2HD2 LEU 61 14.518 -1.137 -41.309 1062 HD23 LEU 61 3HD2 LEU 61 13.992 -2.741 -41.827 1063 H GLU 62 H GLU 62 11.661 0.382 -37.829 1064 HA GLU 62 HA GLU 62 13.677 0.614 -35.675 1065 HB2 GLU 62 2HB GLU 62 13.716 2.007 -37.953 1066 HB3 GLU 62 3HB GLU 62 12.468 2.978 -37.182 1067 HG2 GLU 62 2HG GLU 62 15.279 2.520 -36.116 1068 HG3 GLU 62 3HG GLU 62 14.743 3.958 -36.974 Start of MODEL 20 1 H1 MET 1 1H MET 1 -12.840 -20.412 -12.534 2 H2 MET 1 2H MET 1 -13.699 -21.761 -11.990 3 H3 MET 1 3H MET 1 -14.147 -20.992 -13.427 4 HA MET 1 HA MET 1 -11.579 -22.362 -12.973 5 HB2 MET 1 2HB MET 1 -14.089 -23.258 -14.457 6 HB3 MET 1 3HB MET 1 -12.525 -24.019 -14.702 7 HG2 MET 1 2HG MET 1 -12.502 -24.605 -12.273 8 HG3 MET 1 3HG MET 1 -14.142 -23.966 -12.150 9 HE1 MET 1 1HE MET 1 -14.560 -27.925 -12.003 10 HE2 MET 1 2HE MET 1 -14.791 -26.427 -11.102 11 HE3 MET 1 3HE MET 1 -13.162 -27.044 -11.395 12 H GLU 2 H GLU 2 -10.364 -22.650 -14.952 13 HA GLU 2 HA GLU 2 -10.852 -20.678 -17.092 14 HB2 GLU 2 2HB GLU 2 -8.497 -19.989 -17.088 15 HB3 GLU 2 3HB GLU 2 -9.242 -19.636 -15.543 16 HG2 GLU 2 2HG GLU 2 -7.420 -21.998 -16.062 17 HG3 GLU 2 3HG GLU 2 -6.882 -20.471 -15.393 18 H GLU 3 H GLU 3 -10.782 -21.613 -18.992 19 HA GLU 3 HA GLU 3 -10.045 -24.399 -19.357 20 HB2 GLU 3 2HB GLU 3 -11.153 -22.330 -21.301 21 HB3 GLU 3 3HB GLU 3 -10.970 -24.050 -21.655 22 HG2 GLU 3 2HG GLU 3 -12.584 -24.619 -19.895 23 HG3 GLU 3 3HG GLU 3 -12.720 -22.919 -19.446 24 H LEU 4 H LEU 4 -9.116 -21.314 -20.843 25 HA LEU 4 HA LEU 4 -6.338 -22.218 -21.242 26 HB2 LEU 4 2HB LEU 4 -8.138 -20.960 -23.354 27 HB3 LEU 4 3HB LEU 4 -6.389 -20.910 -23.482 28 HG LEU 4 HG LEU 4 -8.103 -23.425 -23.510 29 HD11 LEU 4 1HD1 LEU 4 -7.395 -23.630 -25.854 30 HD12 LEU 4 2HD1 LEU 4 -6.531 -22.094 -25.742 31 HD13 LEU 4 3HD1 LEU 4 -8.289 -22.134 -25.581 32 HD21 LEU 4 1HD2 LEU 4 -6.008 -24.641 -24.029 33 HD22 LEU 4 2HD2 LEU 4 -5.960 -23.891 -22.435 34 HD23 LEU 4 3HD2 LEU 4 -5.093 -23.148 -23.778 35 H SER 5 H SER 5 -5.164 -20.045 -22.195 36 HA SER 5 HA SER 5 -5.598 -17.904 -20.274 37 HB2 SER 5 2HB SER 5 -3.544 -16.925 -21.425 38 HB3 SER 5 3HB SER 5 -3.304 -18.519 -20.703 39 HG SER 5 HG SER 5 -2.756 -19.195 -22.605 40 H GLY 6 H GLY 6 -5.276 -15.586 -21.364 41 HA2 GLY 6 2HA GLY 6 -6.002 -14.046 -23.045 42 HA3 GLY 6 3HA GLY 6 -7.116 -15.258 -23.671 43 H LYS 7 H LYS 7 -7.677 -15.781 -20.653 44 HA LYS 7 HA LYS 7 -9.900 -14.025 -20.256 45 HB2 LYS 7 2HB LYS 7 -8.501 -16.064 -18.456 46 HB3 LYS 7 3HB LYS 7 -9.826 -15.069 -17.863 47 HG2 LYS 7 2HG LYS 7 -10.684 -17.240 -18.463 48 HG3 LYS 7 3HG LYS 7 -11.312 -16.046 -19.600 49 HD2 LYS 7 2HD LYS 7 -9.560 -16.758 -21.246 50 HD3 LYS 7 3HD LYS 7 -9.043 -18.009 -20.106 51 HE2 LYS 7 2HE LYS 7 -10.531 -18.930 -21.841 52 HE3 LYS 7 3HE LYS 7 -11.274 -19.059 -20.244 53 HZ1 LYS 7 1HZ LYS 7 -11.863 -16.915 -22.227 54 HZ2 LYS 7 2HZ LYS 7 -12.631 -17.135 -20.736 55 HZ3 LYS 7 3HZ LYS 7 -12.823 -18.279 -21.962 56 HA PRO 8 HA PRO 8 -7.598 -10.748 -18.082 57 HB2 PRO 8 2HB PRO 8 -9.593 -9.527 -16.699 58 HB3 PRO 8 3HB PRO 8 -9.573 -9.481 -18.473 59 HG2 PRO 8 2HG PRO 8 -11.175 -11.269 -16.669 60 HG3 PRO 8 3HG PRO 8 -11.704 -10.371 -18.110 61 HD2 PRO 8 2HD PRO 8 -11.049 -13.034 -18.176 62 HD3 PRO 8 3HD PRO 8 -10.864 -11.953 -19.574 63 H LEU 9 H LEU 9 -8.045 -9.858 -15.425 64 HA LEU 9 HA LEU 9 -7.323 -12.042 -13.740 65 HB2 LEU 9 2HB LEU 9 -7.970 -10.339 -11.849 66 HB3 LEU 9 3HB LEU 9 -6.557 -10.062 -12.841 67 HG LEU 9 HG LEU 9 -7.899 -8.403 -14.218 68 HD11 LEU 9 1HD1 LEU 9 -9.970 -8.693 -12.031 69 HD12 LEU 9 2HD1 LEU 9 -10.163 -9.135 -13.727 70 HD13 LEU 9 3HD1 LEU 9 -9.949 -7.443 -13.282 71 HD21 LEU 9 1HD2 LEU 9 -7.729 -6.593 -12.580 72 HD22 LEU 9 2HD2 LEU 9 -6.336 -7.667 -12.502 73 HD23 LEU 9 3HD2 LEU 9 -7.599 -7.771 -11.271 74 H SER 10 H SER 10 -8.562 -13.446 -12.656 75 HA SER 10 HA SER 10 -11.335 -13.816 -13.264 76 HB2 SER 10 2HB SER 10 -9.628 -15.188 -11.143 77 HB3 SER 10 3HB SER 10 -11.161 -15.779 -11.799 78 HG SER 10 HG SER 10 -9.765 -15.408 -13.903 79 H TYR 11 H TYR 11 -12.920 -14.269 -11.296 80 HA TYR 11 HA TYR 11 -13.453 -11.883 -9.926 81 HB2 TYR 11 2HB TYR 11 -15.274 -13.432 -10.263 82 HB3 TYR 11 3HB TYR 11 -14.424 -14.732 -9.433 83 HD1 TYR 11 HD1 TYR 11 -15.795 -11.270 -8.742 84 HD2 TYR 11 HD2 TYR 11 -15.019 -15.181 -7.201 85 HE1 TYR 11 HE1 TYR 11 -16.830 -10.646 -6.599 86 HE2 TYR 11 HE2 TYR 11 -16.060 -14.558 -5.072 87 HH TYR 11 HH TYR 11 -17.917 -11.895 -4.628 88 H ALA 12 H ALA 12 -11.882 -14.862 -8.772 89 HA ALA 12 HA ALA 12 -11.423 -14.166 -6.104 90 HB1 ALA 12 1HB ALA 12 -11.154 -16.447 -6.987 91 HB2 ALA 12 2HB ALA 12 -9.706 -15.925 -6.124 92 HB3 ALA 12 3HB ALA 12 -9.726 -15.944 -7.891 93 H GLU 13 H GLU 13 -9.477 -13.573 -9.016 94 HA GLU 13 HA GLU 13 -7.223 -12.423 -7.702 95 HB2 GLU 13 2HB GLU 13 -8.078 -12.067 -10.607 96 HB3 GLU 13 3HB GLU 13 -6.472 -11.773 -9.952 97 HG2 GLU 13 2HG GLU 13 -7.864 -14.430 -10.311 98 HG3 GLU 13 3HG GLU 13 -6.388 -13.863 -11.090 99 H LYS 14 H LYS 14 -10.146 -11.142 -9.131 100 HA LYS 14 HA LYS 14 -9.422 -8.390 -9.208 101 HB2 LYS 14 2HB LYS 14 -11.123 -9.480 -10.680 102 HB3 LYS 14 3HB LYS 14 -12.174 -9.734 -9.301 103 HG2 LYS 14 2HG LYS 14 -11.318 -6.938 -10.090 104 HG3 LYS 14 3HG LYS 14 -12.629 -7.742 -10.937 105 HD2 LYS 14 2HD LYS 14 -12.544 -7.087 -7.971 106 HD3 LYS 14 3HD LYS 14 -13.516 -6.275 -9.193 107 HE2 LYS 14 2HE LYS 14 -14.703 -8.466 -9.615 108 HE3 LYS 14 3HE LYS 14 -13.823 -9.144 -8.242 109 HZ1 LYS 14 1HZ LYS 14 -15.722 -6.863 -8.163 110 HZ2 LYS 14 2HZ LYS 14 -14.824 -7.400 -6.840 111 HZ3 LYS 14 3HZ LYS 14 -15.992 -8.411 -7.537 112 H GLU 15 H GLU 15 -11.193 -10.456 -6.916 113 HA GLU 15 HA GLU 15 -12.031 -8.286 -5.227 114 HB2 GLU 15 2HB GLU 15 -13.016 -9.904 -3.769 115 HB3 GLU 15 3HB GLU 15 -13.342 -10.418 -5.418 116 HG2 GLU 15 2HG GLU 15 -11.536 -12.090 -5.251 117 HG3 GLU 15 3HG GLU 15 -11.219 -11.584 -3.593 118 H LYS 16 H LYS 16 -9.421 -10.760 -5.074 119 HA LYS 16 HA LYS 16 -8.411 -9.972 -2.554 120 HB2 LYS 16 2HB LYS 16 -6.463 -11.287 -2.988 121 HB3 LYS 16 3HB LYS 16 -7.800 -12.132 -3.756 122 HG2 LYS 16 2HG LYS 16 -7.116 -11.238 -5.956 123 HG3 LYS 16 3HG LYS 16 -5.796 -10.361 -5.191 124 HD2 LYS 16 2HD LYS 16 -4.955 -12.378 -6.274 125 HD3 LYS 16 3HD LYS 16 -4.755 -12.509 -4.527 126 HE2 LYS 16 2HE LYS 16 -6.632 -14.018 -4.367 127 HE3 LYS 16 3HE LYS 16 -7.061 -13.736 -6.059 128 HZ1 LYS 16 1HZ LYS 16 -5.886 -15.844 -5.715 129 HZ2 LYS 16 2HZ LYS 16 -4.520 -15.009 -5.162 130 HZ3 LYS 16 3HZ LYS 16 -5.048 -14.811 -6.762 131 H LEU 17 H LEU 17 -8.019 -8.708 -5.779 132 HA LEU 17 HA LEU 17 -5.728 -7.103 -5.259 133 HB2 LEU 17 2HB LEU 17 -6.802 -8.018 -7.530 134 HB3 LEU 17 3HB LEU 17 -7.637 -6.477 -7.525 135 HG LEU 17 HG LEU 17 -5.497 -6.547 -8.888 136 HD11 LEU 17 1HD1 LEU 17 -4.641 -4.369 -8.186 137 HD12 LEU 17 2HD1 LEU 17 -5.476 -4.509 -6.634 138 HD13 LEU 17 3HD1 LEU 17 -6.406 -4.390 -8.132 139 HD21 LEU 17 1HD2 LEU 17 -4.208 -8.023 -7.347 140 HD22 LEU 17 2HD2 LEU 17 -4.105 -6.705 -6.172 141 HD23 LEU 17 3HD2 LEU 17 -3.330 -6.549 -7.751 142 H LYS 18 H LYS 18 -9.238 -6.291 -5.525 143 HA LYS 18 HA LYS 18 -8.872 -3.525 -5.050 144 HB2 LYS 18 2HB LYS 18 -11.347 -3.422 -4.689 145 HB3 LYS 18 3HB LYS 18 -10.886 -4.233 -6.172 146 HG2 LYS 18 2HG LYS 18 -12.631 -5.557 -5.409 147 HG3 LYS 18 3HG LYS 18 -11.222 -6.434 -4.820 148 HD2 LYS 18 2HD LYS 18 -11.570 -5.376 -2.564 149 HD3 LYS 18 3HD LYS 18 -13.022 -4.596 -3.182 150 HE2 LYS 18 2HE LYS 18 -14.087 -6.751 -3.531 151 HE3 LYS 18 3HE LYS 18 -12.601 -7.597 -3.093 152 HZ1 LYS 18 1HZ LYS 18 -12.803 -6.690 -0.846 153 HZ2 LYS 18 2HZ LYS 18 -14.174 -7.585 -1.264 154 HZ3 LYS 18 3HZ LYS 18 -14.234 -5.895 -1.273 155 H GLU 19 H GLU 19 -9.415 -6.260 -2.842 156 HA GLU 19 HA GLU 19 -9.707 -4.584 -0.495 157 HB2 GLU 19 2HB GLU 19 -9.782 -6.607 0.815 158 HB3 GLU 19 3HB GLU 19 -10.739 -6.844 -0.642 159 HG2 GLU 19 2HG GLU 19 -8.814 -8.098 -1.656 160 HG3 GLU 19 3HG GLU 19 -7.963 -7.927 -0.127 161 H LYS 20 H LYS 20 -7.042 -6.189 -2.168 162 HA LYS 20 HA LYS 20 -4.993 -5.732 -0.319 163 HB2 LYS 20 2HB LYS 20 -4.127 -6.961 -2.052 164 HB3 LYS 20 3HB LYS 20 -5.110 -6.158 -3.269 165 HG2 LYS 20 2HG LYS 20 -3.563 -4.315 -3.439 166 HG3 LYS 20 3HG LYS 20 -2.684 -4.826 -1.995 167 HD2 LYS 20 2HD LYS 20 -2.811 -6.430 -4.571 168 HD3 LYS 20 3HD LYS 20 -1.501 -5.327 -4.146 169 HE2 LYS 20 2HE LYS 20 -1.119 -6.715 -2.059 170 HE3 LYS 20 3HE LYS 20 -2.298 -7.869 -2.694 171 HZ1 LYS 20 1HZ LYS 20 0.262 -7.081 -3.986 172 HZ2 LYS 20 2HZ LYS 20 -0.879 -8.135 -4.661 173 HZ3 LYS 20 3HZ LYS 20 -0.075 -8.563 -3.238 174 H LEU 21 H LEU 21 -6.273 -3.630 -2.889 175 HA LEU 21 HA LEU 21 -4.540 -1.458 -2.551 176 HB2 LEU 21 2HB LEU 21 -7.416 -1.382 -3.555 177 HB3 LEU 21 3HB LEU 21 -6.199 -0.142 -3.816 178 HG LEU 21 HG LEU 21 -6.183 -2.951 -4.972 179 HD11 LEU 21 1HD1 LEU 21 -6.483 -0.273 -6.352 180 HD12 LEU 21 2HD1 LEU 21 -7.762 -1.460 -6.079 181 HD13 LEU 21 3HD1 LEU 21 -6.413 -1.853 -7.140 182 HD21 LEU 21 1HD2 LEU 21 -3.896 -2.313 -4.441 183 HD22 LEU 21 2HD2 LEU 21 -4.091 -0.794 -5.319 184 HD23 LEU 21 3HD2 LEU 21 -4.160 -2.329 -6.181 185 H ALA 22 H ALA 22 -7.728 -2.147 -1.130 186 HA ALA 22 HA ALA 22 -8.001 0.271 0.364 187 HB1 ALA 22 1HB ALA 22 -9.922 -1.154 -0.237 188 HB2 ALA 22 2HB ALA 22 -9.848 -0.917 1.507 189 HB3 ALA 22 3HB ALA 22 -9.319 -2.447 0.797 190 H PHE 23 H PHE 23 -6.584 -2.885 1.114 191 HA PHE 23 HA PHE 23 -6.368 -2.558 3.941 192 HB2 PHE 23 2HB PHE 23 -6.392 -4.790 2.962 193 HB3 PHE 23 3HB PHE 23 -4.946 -4.456 2.022 194 HD1 PHE 23 HD1 PHE 23 -6.184 -4.764 5.551 195 HD2 PHE 23 HD2 PHE 23 -2.819 -5.027 2.917 196 HE1 PHE 23 HE1 PHE 23 -4.814 -5.680 7.383 197 HE2 PHE 23 HE2 PHE 23 -1.461 -5.936 4.748 198 HZ PHE 23 HZ PHE 23 -2.454 -6.261 6.982 199 H LEU 24 H LEU 24 -3.908 -2.452 1.348 200 HA LEU 24 HA LEU 24 -1.831 -1.529 2.997 201 HB2 LEU 24 2HB LEU 24 -0.530 -1.115 0.980 202 HB3 LEU 24 3HB LEU 24 -1.315 -2.673 0.924 203 HG LEU 24 HG LEU 24 -3.080 -1.520 -0.630 204 HD11 LEU 24 1HD1 LEU 24 -0.835 0.497 -0.948 205 HD12 LEU 24 2HD1 LEU 24 -2.437 0.810 -0.279 206 HD13 LEU 24 3HD1 LEU 24 -2.271 0.367 -1.970 207 HD21 LEU 24 1HD2 LEU 24 -1.725 -1.944 -2.637 208 HD22 LEU 24 2HD2 LEU 24 -1.524 -3.214 -1.437 209 HD23 LEU 24 3HD2 LEU 24 -0.259 -2.001 -1.647 210 H LYS 25 H LYS 25 -4.373 0.159 1.248 211 HA LYS 25 HA LYS 25 -3.321 2.792 1.364 212 HB2 LYS 25 2HB LYS 25 -5.130 2.200 -0.142 213 HB3 LYS 25 3HB LYS 25 -6.195 1.777 1.196 214 HG2 LYS 25 2HG LYS 25 -6.348 4.123 1.865 215 HG3 LYS 25 3HG LYS 25 -5.162 4.591 0.643 216 HD2 LYS 25 2HD LYS 25 -7.913 3.410 0.101 217 HD3 LYS 25 3HD LYS 25 -7.455 5.100 -0.117 218 HE2 LYS 25 2HE LYS 25 -5.819 4.421 -1.855 219 HE3 LYS 25 3HE LYS 25 -6.298 2.736 -1.636 220 HZ1 LYS 25 1HZ LYS 25 -7.385 3.693 -3.541 221 HZ2 LYS 25 2HZ LYS 25 -8.037 4.935 -2.600 222 HZ3 LYS 25 3HZ LYS 25 -8.538 3.341 -2.352 223 H LYS 26 H LYS 26 -5.623 1.090 3.551 224 HA LYS 26 HA LYS 26 -6.054 3.340 5.249 225 HB2 LYS 26 2HB LYS 26 -7.142 1.804 6.822 226 HB3 LYS 26 3HB LYS 26 -7.686 1.501 5.180 227 HG2 LYS 26 2HG LYS 26 -6.263 -0.492 5.043 228 HG3 LYS 26 3HG LYS 26 -5.639 -0.184 6.667 229 HD2 LYS 26 2HD LYS 26 -7.884 -0.540 7.629 230 HD3 LYS 26 3HD LYS 26 -8.568 -0.755 6.015 231 HE2 LYS 26 2HE LYS 26 -7.145 -2.782 5.709 232 HE3 LYS 26 3HE LYS 26 -6.530 -2.574 7.353 233 HZ1 LYS 26 1HZ LYS 26 -9.389 -2.986 6.653 234 HZ2 LYS 26 2HZ LYS 26 -8.750 -2.880 8.215 235 HZ3 LYS 26 3HZ LYS 26 -8.350 -4.190 7.224 236 H GLU 27 H GLU 27 -3.813 0.562 5.420 237 HA GLU 27 HA GLU 27 -2.695 1.314 7.946 238 HB2 GLU 27 2HB GLU 27 -1.052 -0.394 7.654 239 HB3 GLU 27 3HB GLU 27 -2.563 -1.017 7.007 240 HG2 GLU 27 2HG GLU 27 -1.798 -0.725 4.732 241 HG3 GLU 27 3HG GLU 27 -0.369 0.153 5.263 242 H TYR 28 H TYR 28 -1.890 2.024 4.564 243 HA TYR 28 HA TYR 28 0.621 3.237 4.832 244 HB2 TYR 28 2HB TYR 28 -0.212 2.718 2.628 245 HB3 TYR 28 3HB TYR 28 -1.647 3.706 2.845 246 HD1 TYR 28 HD1 TYR 28 2.048 3.850 2.310 247 HD2 TYR 28 HD2 TYR 28 -1.619 6.039 2.205 248 HE1 TYR 28 HE1 TYR 28 3.179 5.690 1.160 249 HE2 TYR 28 HE2 TYR 28 -0.483 7.884 1.048 250 HH TYR 28 HH TYR 28 1.797 8.756 0.775 251 H SER 29 H SER 29 -2.617 4.734 4.867 252 HA SER 29 HA SER 29 -1.732 7.401 5.199 253 HB2 SER 29 2HB SER 29 -3.963 6.763 4.279 254 HB3 SER 29 3HB SER 29 -4.468 6.221 5.880 255 HG SER 29 HG SER 29 -3.639 8.849 5.197 256 H ARG 30 H ARG 30 -2.842 4.916 7.482 257 HA ARG 30 HA ARG 30 -2.816 6.463 9.853 258 HB2 ARG 30 2HB ARG 30 -3.996 4.314 9.691 259 HB3 ARG 30 3HB ARG 30 -2.476 3.461 9.428 260 HG2 ARG 30 2HG ARG 30 -1.750 4.134 11.730 261 HG3 ARG 30 3HG ARG 30 -3.326 4.885 11.972 262 HD2 ARG 30 2HD ARG 30 -4.416 2.700 11.688 263 HD3 ARG 30 3HD ARG 30 -2.843 1.941 11.430 264 HE ARG 30 HE ARG 30 -3.399 3.375 13.945 265 HH11 ARG 30 1HH1 ARG 30 -2.684 0.318 12.328 266 HH12 ARG 30 2HH1 ARG 30 -2.372 -0.532 13.817 267 HH21 ARG 30 1HH2 ARG 30 -3.067 2.245 15.871 268 HH22 ARG 30 2HH2 ARG 30 -2.591 0.573 15.833 269 H THR 31 H THR 31 -0.369 4.294 8.454 270 HA THR 31 HA THR 31 1.426 4.624 10.674 271 HB THR 31 HB THR 31 1.159 2.434 9.412 272 HG1 THR 31 HG1 THR 31 3.719 3.598 9.855 273 HG21 THR 31 1HG2 THR 31 3.063 3.736 7.428 274 HG22 THR 31 2HG2 THR 31 1.394 3.296 7.079 275 HG23 THR 31 3HG2 THR 31 2.577 2.040 7.447 276 H LEU 32 H LEU 32 1.178 5.943 7.426 277 HA LEU 32 HA LEU 32 3.678 7.298 7.380 278 HB2 LEU 32 2HB LEU 32 2.325 6.977 5.356 279 HB3 LEU 32 3HB LEU 32 1.043 7.989 5.986 280 HG LEU 32 HG LEU 32 3.795 9.236 5.580 281 HD11 LEU 32 1HD1 LEU 32 1.819 8.803 3.309 282 HD12 LEU 32 2HD1 LEU 32 3.404 8.042 3.468 283 HD13 LEU 32 3HD1 LEU 32 3.289 9.784 3.241 284 HD21 LEU 32 1HD2 LEU 32 0.982 10.344 5.248 285 HD22 LEU 32 2HD2 LEU 32 2.483 11.263 5.077 286 HD23 LEU 32 3HD2 LEU 32 2.033 10.590 6.642 287 H ALA 33 H ALA 33 0.430 8.135 8.551 288 HA ALA 33 HA ALA 33 0.823 10.767 9.337 289 HB1 ALA 33 1HB ALA 33 -1.373 9.647 9.310 290 HB2 ALA 33 2HB ALA 33 -1.069 10.449 10.852 291 HB3 ALA 33 3HB ALA 33 -0.908 8.691 10.725 292 H ARG 34 H ARG 34 1.199 7.819 11.360 293 HA ARG 34 HA ARG 34 2.144 9.183 13.671 294 HB2 ARG 34 2HB ARG 34 2.562 6.988 14.615 295 HB3 ARG 34 3HB ARG 34 1.028 6.982 13.761 296 HG2 ARG 34 2HG ARG 34 2.228 5.900 11.810 297 HG3 ARG 34 3HG ARG 34 3.638 5.741 12.853 298 HD2 ARG 34 2HD ARG 34 0.914 4.488 13.285 299 HD3 ARG 34 3HD ARG 34 2.403 3.658 12.812 300 HE ARG 34 HE ARG 34 2.514 5.102 15.332 301 HH11 ARG 34 1HH1 ARG 34 1.965 1.978 13.814 302 HH12 ARG 34 2HH1 ARG 34 2.283 1.089 15.270 303 HH21 ARG 34 1HH2 ARG 34 2.898 3.953 17.218 304 HH22 ARG 34 2HH2 ARG 34 2.814 2.218 17.211 305 H LEU 35 H LEU 35 3.789 7.678 10.932 306 HA LEU 35 HA LEU 35 6.459 7.735 11.807 307 HB2 LEU 35 2HB LEU 35 5.793 6.601 9.723 308 HB3 LEU 35 3HB LEU 35 5.306 8.131 9.013 309 HG LEU 35 HG LEU 35 7.709 8.878 9.030 310 HD11 LEU 35 1HD1 LEU 35 8.338 6.061 9.948 311 HD12 LEU 35 2HD1 LEU 35 8.563 7.547 10.878 312 HD13 LEU 35 3HD1 LEU 35 9.508 7.276 9.419 313 HD21 LEU 35 1HD2 LEU 35 6.750 7.897 6.999 314 HD22 LEU 35 2HD2 LEU 35 7.229 6.284 7.530 315 HD23 LEU 35 3HD2 LEU 35 8.460 7.492 7.153 316 H GLN 36 H GLN 36 4.481 10.165 10.126 317 HA GLN 36 HA GLN 36 6.468 12.192 9.982 318 HB2 GLN 36 2HB GLN 36 3.433 12.321 9.714 319 HB3 GLN 36 3HB GLN 36 4.504 13.685 9.417 320 HG2 GLN 36 2HG GLN 36 4.507 11.080 7.878 321 HG3 GLN 36 3HG GLN 36 3.826 12.605 7.325 322 HE21 GLN 36 1HE2 GLN 36 5.909 10.947 6.115 323 HE22 GLN 36 2HE2 GLN 36 7.305 11.952 5.961 324 H ARG 37 H ARG 37 3.985 11.395 12.392 325 HA ARG 37 HA ARG 37 4.209 13.828 13.899 326 HB2 ARG 37 2HB ARG 37 3.149 11.085 14.724 327 HB3 ARG 37 3HB ARG 37 3.008 12.538 15.707 328 HG2 ARG 37 2HG ARG 37 1.757 12.099 12.986 329 HG3 ARG 37 3HG ARG 37 0.914 12.081 14.529 330 HD2 ARG 37 2HD ARG 37 1.350 14.466 14.842 331 HD3 ARG 37 3HD ARG 37 2.357 14.506 13.391 332 HE ARG 37 HE ARG 37 -0.338 13.627 12.903 333 HH11 ARG 37 1HH1 ARG 37 1.720 16.482 13.165 334 HH12 ARG 37 2HH1 ARG 37 0.671 17.465 12.194 335 HH21 ARG 37 1HH2 ARG 37 -1.667 14.914 11.604 336 HH22 ARG 37 2HH2 ARG 37 -1.246 16.573 11.309 337 H ALA 38 H ALA 38 5.867 10.731 13.977 338 HA ALA 38 HA ALA 38 7.316 11.175 16.417 339 HB1 ALA 38 1HB ALA 38 7.864 9.191 14.167 340 HB2 ALA 38 2HB ALA 38 6.832 8.903 15.567 341 HB3 ALA 38 3HB ALA 38 8.560 9.145 15.796 342 H LYS 39 H LYS 39 8.165 11.380 12.950 343 HA LYS 39 HA LYS 39 10.939 11.936 13.487 344 HB2 LYS 39 2HB LYS 39 11.257 11.924 11.091 345 HB3 LYS 39 3HB LYS 39 10.196 10.595 11.526 346 HG2 LYS 39 2HG LYS 39 8.239 11.915 10.771 347 HG3 LYS 39 3HG LYS 39 9.311 13.230 10.308 348 HD2 LYS 39 2HD LYS 39 9.310 10.434 9.097 349 HD3 LYS 39 3HD LYS 39 8.640 11.885 8.350 350 HE2 LYS 39 2HE LYS 39 10.913 12.903 8.333 351 HE3 LYS 39 3HE LYS 39 11.567 11.407 9.008 352 HZ1 LYS 39 1HZ LYS 39 10.788 10.233 7.033 353 HZ2 LYS 39 2HZ LYS 39 11.845 11.481 6.602 354 HZ3 LYS 39 3HZ LYS 39 10.181 11.669 6.392 355 H ARG 40 H ARG 40 8.140 13.932 12.572 356 HA ARG 40 HA ARG 40 9.763 16.269 11.972 357 HB2 ARG 40 2HB ARG 40 6.733 16.003 12.212 358 HB3 ARG 40 3HB ARG 40 7.579 17.460 11.692 359 HG2 ARG 40 2HG ARG 40 8.509 16.186 9.742 360 HG3 ARG 40 3HG ARG 40 7.556 14.791 10.246 361 HD2 ARG 40 2HD ARG 40 6.471 17.485 9.368 362 HD3 ARG 40 3HD ARG 40 6.400 15.971 8.462 363 HE ARG 40 HE ARG 40 5.136 15.883 11.069 364 HH11 ARG 40 1HH1 ARG 40 4.611 16.534 7.644 365 HH12 ARG 40 2HH1 ARG 40 2.893 16.292 7.735 366 HH21 ARG 40 1HH2 ARG 40 2.900 15.574 11.180 367 HH22 ARG 40 2HH2 ARG 40 1.917 15.746 9.747 368 H ALA 41 H ALA 41 7.662 15.219 14.666 369 HA ALA 41 HA ALA 41 7.893 17.678 16.131 370 HB1 ALA 41 1HB ALA 41 6.855 16.448 17.993 371 HB2 ALA 41 2HB ALA 41 7.038 14.927 17.116 372 HB3 ALA 41 3HB ALA 41 5.971 16.187 16.487 373 H GLU 42 H GLU 42 9.287 14.406 16.559 374 HA GLU 42 HA GLU 42 10.875 13.528 17.925 375 HB2 GLU 42 2HB GLU 42 12.321 16.104 17.166 376 HB3 GLU 42 3HB GLU 42 13.096 14.692 17.873 377 HG2 GLU 42 2HG GLU 42 12.407 13.342 15.898 378 HG3 GLU 42 3HG GLU 42 11.687 14.788 15.194 379 H LYS 43 H LYS 43 8.837 14.970 19.187 380 HA LYS 43 HA LYS 43 9.549 16.671 21.304 381 HB2 LYS 43 2HB LYS 43 7.320 16.356 22.132 382 HB3 LYS 43 3HB LYS 43 7.206 16.294 20.386 383 HG2 LYS 43 2HG LYS 43 7.237 13.854 22.185 384 HG3 LYS 43 3HG LYS 43 5.775 14.613 21.566 385 HD2 LYS 43 2HD LYS 43 6.452 14.074 19.255 386 HD3 LYS 43 3HD LYS 43 7.965 13.378 19.850 387 HE2 LYS 43 2HE LYS 43 6.339 11.616 19.338 388 HE3 LYS 43 3HE LYS 43 6.689 11.646 21.067 389 HZ1 LYS 43 1HZ LYS 43 4.623 12.734 21.481 390 HZ2 LYS 43 2HZ LYS 43 4.300 11.406 20.490 391 HZ3 LYS 43 3HZ LYS 43 4.331 12.961 19.833 392 H ALA 44 H ALA 44 9.709 13.237 20.956 393 HA ALA 44 HA ALA 44 9.792 12.472 23.696 394 HB1 ALA 44 1HB ALA 44 10.638 11.018 21.189 395 HB2 ALA 44 2HB ALA 44 9.036 10.999 21.923 396 HB3 ALA 44 3HB ALA 44 10.403 10.282 22.779 397 H LYS 45 H LYS 45 12.065 14.109 21.856 398 HA LYS 45 HA LYS 45 14.560 13.404 22.838 399 HB2 LYS 45 2HB LYS 45 14.163 15.162 21.140 400 HB3 LYS 45 3HB LYS 45 13.331 16.161 22.323 401 HG2 LYS 45 2HG LYS 45 15.498 17.119 22.052 402 HG3 LYS 45 3HG LYS 45 15.540 16.288 23.610 403 HD2 LYS 45 2HD LYS 45 17.612 15.925 22.357 404 HD3 LYS 45 3HD LYS 45 16.744 14.402 22.549 405 HE2 LYS 45 2HE LYS 45 15.935 14.526 20.243 406 HE3 LYS 45 3HE LYS 45 16.650 16.128 20.040 407 HZ1 LYS 45 1HZ LYS 45 18.834 15.153 20.325 408 HZ2 LYS 45 2HZ LYS 45 18.013 14.402 19.051 409 HZ3 LYS 45 3HZ LYS 45 18.158 13.619 20.542 410 H ASN 46 H ASN 46 11.835 15.016 24.364 411 HA ASN 46 HA ASN 46 11.402 16.119 26.247 412 HB2 ASN 46 2HB ASN 46 12.137 14.003 27.372 413 HB3 ASN 46 3HB ASN 46 13.772 14.622 27.474 414 HD21 ASN 46 1HD2 ASN 46 10.486 15.123 28.591 415 HD22 ASN 46 2HD2 ASN 46 10.915 15.989 30.022 416 H SER 47 H SER 47 11.975 17.917 24.955 417 HA SER 47 HA SER 47 14.615 19.108 25.048 418 HB2 SER 47 2HB SER 47 13.520 20.861 23.575 419 HB3 SER 47 3HB SER 47 13.391 19.217 22.944 420 HG SER 47 HG SER 47 11.414 20.486 22.889 421 H LYS 48 H LYS 48 13.962 21.855 25.152 422 HA LYS 48 HA LYS 48 14.214 22.437 27.855 423 HB2 LYS 48 2HB LYS 48 14.919 23.958 26.007 424 HB3 LYS 48 3HB LYS 48 13.228 24.301 25.647 425 HG2 LYS 48 2HG LYS 48 14.189 26.136 26.942 426 HG3 LYS 48 3HG LYS 48 12.967 25.299 27.905 427 HD2 LYS 48 2HD LYS 48 14.825 24.011 29.035 428 HD3 LYS 48 3HD LYS 48 15.989 25.011 28.156 429 HE2 LYS 48 2HE LYS 48 15.670 25.874 30.415 430 HE3 LYS 48 3HE LYS 48 15.035 27.035 29.244 431 HZ1 LYS 48 1HZ LYS 48 12.800 26.125 29.692 432 HZ2 LYS 48 2HZ LYS 48 13.516 26.789 31.070 433 HZ3 LYS 48 3HZ LYS 48 13.453 25.114 30.877 434 H LYS 49 H LYS 49 12.772 22.225 29.425 435 HA LYS 49 HA LYS 49 9.913 22.004 28.859 436 HB2 LYS 49 2HB LYS 49 11.541 21.463 31.389 437 HB3 LYS 49 3HB LYS 49 9.808 21.173 31.232 438 HG2 LYS 49 2HG LYS 49 10.251 19.531 29.410 439 HG3 LYS 49 3HG LYS 49 11.985 19.819 29.605 440 HD2 LYS 49 2HD LYS 49 11.352 17.760 30.761 441 HD3 LYS 49 3HD LYS 49 11.860 18.972 31.938 442 HE2 LYS 49 2HE LYS 49 9.459 19.479 32.403 443 HE3 LYS 49 3HE LYS 49 8.993 18.197 31.278 444 HZ1 LYS 49 1HZ LYS 49 10.128 16.592 32.676 445 HZ2 LYS 49 2HZ LYS 49 8.983 17.439 33.577 446 HZ3 LYS 49 3HZ LYS 49 10.623 17.810 33.743 447 H ALA 50 H ALA 50 8.528 22.813 30.798 448 HA ALA 50 HA ALA 50 8.457 25.654 30.545 449 HB1 ALA 50 1HB ALA 50 6.377 25.482 31.846 450 HB2 ALA 50 2HB ALA 50 6.739 23.801 32.235 451 HB3 ALA 50 3HB ALA 50 6.413 24.272 30.563 452 H ILE 51 H ILE 51 8.670 27.234 32.119 453 HA ILE 51 HA ILE 51 10.734 26.806 34.074 454 HB ILE 51 HB ILE 51 10.329 29.282 34.665 455 HG12 ILE 51 2HG1 ILE 51 9.008 30.567 32.829 456 HG13 ILE 51 3HG1 ILE 51 8.290 29.026 32.396 457 HG21 ILE 51 1HG2 ILE 51 12.071 28.543 33.087 458 HG22 ILE 51 2HG2 ILE 51 11.376 30.075 32.569 459 HG23 ILE 51 3HG2 ILE 51 10.912 28.580 31.754 460 HD11 ILE 51 1HD1 ILE 51 8.010 30.369 35.088 461 HD12 ILE 51 2HD1 ILE 51 7.191 28.898 34.555 462 HD13 ILE 51 3HD1 ILE 51 6.833 30.439 33.778 463 H GLU 52 H GLU 52 7.382 26.447 34.267 464 HA GLU 52 HA GLU 52 6.915 27.037 37.018 465 HB2 GLU 52 2HB GLU 52 4.821 25.770 36.690 466 HB3 GLU 52 3HB GLU 52 5.077 26.924 35.387 467 HG2 GLU 52 2HG GLU 52 5.964 25.053 33.974 468 HG3 GLU 52 3HG GLU 52 5.548 23.928 35.259 469 H ASP 53 H ASP 53 6.058 25.140 38.491 470 HA ASP 53 HA ASP 53 8.226 23.573 39.306 471 HB2 ASP 53 2HB ASP 53 5.266 23.229 39.946 472 HB3 ASP 53 3HB ASP 53 6.554 22.364 40.783 473 H GLY 54 H GLY 54 5.785 22.920 36.973 474 HA2 GLY 54 2HA GLY 54 5.395 21.191 35.550 475 HA3 GLY 54 3HA GLY 54 6.972 20.547 35.987 476 H VAL 55 H VAL 55 4.172 21.237 38.020 477 HA VAL 55 HA VAL 55 4.451 19.033 39.688 478 HB VAL 55 HB VAL 55 3.252 21.021 40.426 479 HG11 VAL 55 1HG1 VAL 55 1.030 20.294 38.488 480 HG12 VAL 55 2HG1 VAL 55 2.136 21.664 38.335 481 HG13 VAL 55 3HG1 VAL 55 0.990 21.604 39.676 482 HG21 VAL 55 1HG2 VAL 55 1.408 18.601 40.474 483 HG22 VAL 55 2HG2 VAL 55 1.335 19.975 41.581 484 HG23 VAL 55 3HG2 VAL 55 2.741 18.911 41.587 485 HA PRO 56 HA PRO 56 2.596 16.006 36.819 486 HB2 PRO 56 2HB PRO 56 3.553 13.756 37.974 487 HB3 PRO 56 3HB PRO 56 4.633 14.843 37.084 488 HG2 PRO 56 2HG PRO 56 4.248 14.586 40.047 489 HG3 PRO 56 3HG PRO 56 5.752 14.781 39.120 490 HD2 PRO 56 2HD PRO 56 4.456 16.868 40.386 491 HD3 PRO 56 3HD PRO 56 5.533 17.064 38.986 492 H GLN 57 H GLN 57 1.288 14.002 37.186 493 HA GLN 57 HA GLN 57 -0.963 14.352 38.784 494 HB2 GLN 57 2HB GLN 57 -1.609 12.088 38.178 495 HB3 GLN 57 3HB GLN 57 -0.899 12.866 36.779 496 HG2 GLN 57 2HG GLN 57 0.515 10.852 38.553 497 HG3 GLN 57 3HG GLN 57 -0.264 10.471 37.022 498 HE21 GLN 57 1HE2 GLN 57 2.546 10.222 37.906 499 HE22 GLN 57 2HE2 GLN 57 3.478 11.072 36.733 500 HA PRO 58 HA PRO 58 0.549 12.924 42.847 501 HB2 PRO 58 2HB PRO 58 -1.915 12.574 44.082 502 HB3 PRO 58 3HB PRO 58 -1.107 14.140 43.889 503 HG2 PRO 58 2HG PRO 58 -3.301 12.964 42.229 504 HG3 PRO 58 3HG PRO 58 -3.101 14.634 42.804 505 HD2 PRO 58 2HD PRO 58 -2.495 13.908 40.260 506 HD3 PRO 58 3HD PRO 58 -1.583 15.173 41.117 507 H GLU 59 H GLU 59 -2.300 11.185 41.463 508 HA GLU 59 HA GLU 59 -0.844 8.667 41.503 509 HB2 GLU 59 2HB GLU 59 -1.860 9.006 43.835 510 HB3 GLU 59 3HB GLU 59 -3.445 8.827 43.092 511 HG2 GLU 59 2HG GLU 59 -2.935 6.534 42.428 512 HG3 GLU 59 3HG GLU 59 -1.263 6.698 42.964 513 H ALA 60 H ALA 60 -2.133 10.459 39.475 514 HA ALA 60 HA ALA 60 -4.323 8.881 38.377 515 HB1 ALA 60 1HB ALA 60 -4.334 10.438 36.521 516 HB2 ALA 60 2HB ALA 60 -2.787 11.116 37.026 517 HB3 ALA 60 3HB ALA 60 -4.217 11.349 38.030 518 H LEU 61 H LEU 61 -3.384 6.847 38.249 519 HA LEU 61 HA LEU 61 -0.983 6.414 36.573 520 HB2 LEU 61 2HB LEU 61 -2.351 4.580 38.583 521 HB3 LEU 61 3HB LEU 61 -0.841 4.240 37.754 522 HG LEU 61 HG LEU 61 -1.234 6.524 39.734 523 HD11 LEU 61 1HD1 LEU 61 0.125 3.846 40.182 524 HD12 LEU 61 2HD1 LEU 61 -1.399 4.383 40.892 525 HD13 LEU 61 3HD1 LEU 61 0.100 5.203 41.313 526 HD21 LEU 61 1HD2 LEU 61 1.293 5.486 38.417 527 HD22 LEU 61 2HD2 LEU 61 1.221 6.718 39.679 528 HD23 LEU 61 3HD2 LEU 61 0.501 7.032 38.101 529 H GLU 62 H GLU 62 -4.075 6.627 35.918 530 HA GLU 62 HA GLU 62 -4.621 4.125 34.564 531 HB2 GLU 62 2HB GLU 62 -6.413 5.415 35.696 532 HB3 GLU 62 3HB GLU 62 -6.181 6.754 34.578 533 HG2 GLU 62 2HG GLU 62 -6.899 5.295 32.707 534 HG3 GLU 62 3HG GLU 62 -7.139 3.961 33.837 535 H1 MET 1 1H MET 1 21.303 1.327 21.468 536 H2 MET 1 2H MET 1 20.549 0.098 20.601 537 H3 MET 1 3H MET 1 21.928 -0.243 21.518 538 HA MET 1 HA MET 1 19.920 -1.010 22.606 539 HB2 MET 1 2HB MET 1 20.321 0.019 24.809 540 HB3 MET 1 3HB MET 1 21.850 -0.268 23.996 541 HG2 MET 1 2HG MET 1 21.951 2.139 23.375 542 HG3 MET 1 3HG MET 1 20.445 2.406 24.251 543 HE1 MET 1 1HE MET 1 24.414 1.169 26.299 544 HE2 MET 1 2HE MET 1 24.285 1.464 24.567 545 HE3 MET 1 3HE MET 1 23.503 0.051 25.286 546 H GLU 2 H GLU 2 18.039 -0.375 23.858 547 HA GLU 2 HA GLU 2 16.891 2.304 23.396 548 HB2 GLU 2 2HB GLU 2 14.619 1.323 23.183 549 HB3 GLU 2 3HB GLU 2 15.660 0.870 21.852 550 HG2 GLU 2 2HG GLU 2 14.954 -0.948 24.173 551 HG3 GLU 2 3HG GLU 2 14.120 -0.941 22.627 552 H GLU 3 H GLU 3 17.618 2.912 25.349 553 HA GLU 3 HA GLU 3 17.964 1.434 27.660 554 HB2 GLU 3 2HB GLU 3 17.453 4.429 27.503 555 HB3 GLU 3 3HB GLU 3 18.256 3.582 28.821 556 HG2 GLU 3 2HG GLU 3 20.135 2.997 27.389 557 HG3 GLU 3 3HG GLU 3 19.324 3.669 25.976 558 H LEU 4 H LEU 4 15.448 3.950 27.322 559 HA LEU 4 HA LEU 4 13.558 2.309 28.912 560 HB2 LEU 4 2HB LEU 4 13.984 5.323 29.125 561 HB3 LEU 4 3HB LEU 4 12.718 4.424 29.949 562 HG LEU 4 HG LEU 4 15.704 4.090 30.435 563 HD11 LEU 4 1HD1 LEU 4 15.317 5.140 32.612 564 HD12 LEU 4 2HD1 LEU 4 13.624 5.416 32.192 565 HD13 LEU 4 3HD1 LEU 4 14.902 6.228 31.288 566 HD21 LEU 4 1HD2 LEU 4 15.059 2.668 32.352 567 HD22 LEU 4 2HD2 LEU 4 14.560 1.980 30.808 568 HD23 LEU 4 3HD2 LEU 4 13.369 2.767 31.847 569 H SER 5 H SER 5 11.275 3.524 28.720 570 HA SER 5 HA SER 5 10.619 3.632 25.866 571 HB2 SER 5 2HB SER 5 8.819 3.600 28.332 572 HB3 SER 5 3HB SER 5 8.284 3.410 26.659 573 HG SER 5 HG SER 5 10.291 1.675 27.440 574 H GLY 6 H GLY 6 8.636 5.277 25.493 575 HA2 GLY 6 2HA GLY 6 7.808 7.468 25.600 576 HA3 GLY 6 3HA GLY 6 9.077 7.896 26.741 577 H LYS 7 H LYS 7 10.233 6.185 24.041 578 HA LYS 7 HA LYS 7 11.268 8.642 22.749 579 HB2 LYS 7 2HB LYS 7 12.361 5.776 22.784 580 HB3 LYS 7 3HB LYS 7 12.979 7.027 21.710 581 HG2 LYS 7 2HG LYS 7 14.501 6.994 23.509 582 HG3 LYS 7 3HG LYS 7 13.481 8.397 23.838 583 HD2 LYS 7 2HD LYS 7 12.125 6.964 25.399 584 HD3 LYS 7 3HD LYS 7 13.271 5.647 25.126 585 HE2 LYS 7 2HE LYS 7 13.798 6.761 27.206 586 HE3 LYS 7 3HE LYS 7 15.084 7.085 26.040 587 HZ1 LYS 7 1HZ LYS 7 12.853 8.957 26.644 588 HZ2 LYS 7 2HZ LYS 7 14.193 9.267 25.666 589 HZ3 LYS 7 3HZ LYS 7 14.395 9.055 27.329 590 HA PRO 8 HA PRO 8 8.904 7.623 19.051 591 HB2 PRO 8 2HB PRO 8 10.997 8.364 17.107 592 HB3 PRO 8 3HB PRO 8 9.579 9.303 17.611 593 HG2 PRO 8 2HG PRO 8 12.151 10.025 18.218 594 HG3 PRO 8 3HG PRO 8 10.746 10.494 19.197 595 HD2 PRO 8 2HD PRO 8 12.731 8.272 19.679 596 HD3 PRO 8 3HD PRO 8 12.009 9.417 20.835 597 H LEU 9 H LEU 9 9.322 6.540 16.672 598 HA LEU 9 HA LEU 9 10.060 3.841 17.142 599 HB2 LEU 9 2HB LEU 9 9.916 3.700 14.518 600 HB3 LEU 9 3HB LEU 9 8.474 3.956 15.476 601 HG LEU 9 HG LEU 9 8.530 6.398 14.913 602 HD11 LEU 9 1HD1 LEU 9 10.810 5.712 13.046 603 HD12 LEU 9 2HD1 LEU 9 10.889 6.755 14.466 604 HD13 LEU 9 3HD1 LEU 9 9.921 7.239 13.079 605 HD21 LEU 9 1HD2 LEU 9 7.763 6.167 12.594 606 HD22 LEU 9 2HD2 LEU 9 7.132 4.885 13.623 607 HD23 LEU 9 3HD2 LEU 9 8.466 4.546 12.516 608 H SER 10 H SER 10 11.800 2.627 16.436 609 HA SER 10 HA SER 10 14.366 3.908 16.630 610 HB2 SER 10 2HB SER 10 13.710 0.994 15.990 611 HB3 SER 10 3HB SER 10 15.245 1.619 16.607 612 HG SER 10 HG SER 10 13.554 2.481 18.329 613 H TYR 11 H TYR 11 16.154 3.199 15.030 614 HA TYR 11 HA TYR 11 15.696 4.304 12.501 615 HB2 TYR 11 2HB TYR 11 17.951 4.292 13.373 616 HB3 TYR 11 3HB TYR 11 17.956 2.539 13.535 617 HD1 TYR 11 HD1 TYR 11 17.522 5.153 10.827 618 HD2 TYR 11 HD2 TYR 11 19.113 1.322 11.873 619 HE1 TYR 11 HE1 TYR 11 18.509 4.944 8.598 620 HE2 TYR 11 HE2 TYR 11 20.103 1.122 9.628 621 HH TYR 11 HH TYR 11 19.855 2.048 7.409 622 H ALA 12 H ALA 12 15.931 0.905 13.521 623 HA ALA 12 HA ALA 12 15.644 -0.388 11.056 624 HB1 ALA 12 1HB ALA 12 16.363 -1.522 13.122 625 HB2 ALA 12 2HB ALA 12 14.994 -2.357 12.391 626 HB3 ALA 12 3HB ALA 12 14.750 -1.332 13.808 627 H GLU 13 H GLU 13 13.240 0.748 13.402 628 HA GLU 13 HA GLU 13 10.923 -0.273 12.113 629 HB2 GLU 13 2HB GLU 13 11.141 2.037 14.089 630 HB3 GLU 13 3HB GLU 13 9.671 1.170 13.674 631 HG2 GLU 13 2HG GLU 13 12.049 0.133 15.208 632 HG3 GLU 13 3HG GLU 13 10.400 0.343 15.791 633 H LYS 14 H LYS 14 12.615 2.794 11.989 634 HA LYS 14 HA LYS 14 10.652 4.314 10.600 635 HB2 LYS 14 2HB LYS 14 12.413 5.248 12.112 636 HB3 LYS 14 3HB LYS 14 13.660 4.790 10.971 637 HG2 LYS 14 2HG LYS 14 11.453 6.695 10.162 638 HG3 LYS 14 3HG LYS 14 12.837 7.271 11.075 639 HD2 LYS 14 2HD LYS 14 12.909 5.973 8.333 640 HD3 LYS 14 3HD LYS 14 13.165 7.682 8.688 641 HE2 LYS 14 2HE LYS 14 15.180 7.022 10.064 642 HE3 LYS 14 3HE LYS 14 14.958 5.363 9.494 643 HZ1 LYS 14 1HZ LYS 14 15.503 7.746 7.805 644 HZ2 LYS 14 2HZ LYS 14 15.178 6.203 7.201 645 HZ3 LYS 14 3HZ LYS 14 16.571 6.472 8.127 646 H GLU 15 H GLU 15 13.519 2.440 9.640 647 HA GLU 15 HA GLU 15 13.480 3.328 6.898 648 HB2 GLU 15 2HB GLU 15 15.358 1.909 6.498 649 HB3 GLU 15 3HB GLU 15 15.604 2.667 8.061 650 HG2 GLU 15 2HG GLU 15 14.915 0.585 9.182 651 HG3 GLU 15 3HG GLU 15 14.664 -0.184 7.615 652 H LYS 16 H LYS 16 12.446 0.359 8.639 653 HA LYS 16 HA LYS 16 11.598 -1.066 6.340 654 HB2 LYS 16 2HB LYS 16 10.471 -2.606 7.779 655 HB3 LYS 16 3HB LYS 16 11.919 -2.099 8.641 656 HG2 LYS 16 2HG LYS 16 10.565 -0.550 10.016 657 HG3 LYS 16 3HG LYS 16 9.118 -1.039 9.139 658 HD2 LYS 16 2HD LYS 16 9.197 -2.156 11.300 659 HD3 LYS 16 3HD LYS 16 9.380 -3.349 10.014 660 HE2 LYS 16 2HE LYS 16 11.759 -3.509 10.434 661 HE3 LYS 16 3HE LYS 16 11.693 -2.155 11.566 662 HZ1 LYS 16 1HZ LYS 16 11.770 -4.335 12.663 663 HZ2 LYS 16 2HZ LYS 16 10.280 -4.739 11.975 664 HZ3 LYS 16 3HZ LYS 16 10.389 -3.452 13.073 665 H LEU 17 H LEU 17 10.136 1.449 8.273 666 HA LEU 17 HA LEU 17 7.479 1.136 7.309 667 HB2 LEU 17 2HB LEU 17 8.490 2.361 9.469 668 HB3 LEU 17 3HB LEU 17 8.457 3.771 8.428 669 HG LEU 17 HG LEU 17 6.432 3.485 9.935 670 HD11 LEU 17 1HD1 LEU 17 4.746 4.094 8.274 671 HD12 LEU 17 2HD1 LEU 17 5.781 3.504 6.967 672 HD13 LEU 17 3HD1 LEU 17 6.278 4.898 7.927 673 HD21 LEU 17 1HD2 LEU 17 6.300 1.001 9.783 674 HD22 LEU 17 2HD2 LEU 17 5.756 1.136 8.103 675 HD23 LEU 17 3HD2 LEU 17 4.764 1.778 9.413 676 H LYS 18 H LYS 18 10.079 3.507 6.465 677 HA LYS 18 HA LYS 18 8.517 4.883 4.549 678 HB2 LYS 18 2HB LYS 18 10.667 5.910 3.757 679 HB3 LYS 18 3HB LYS 18 10.413 6.034 5.488 680 HG2 LYS 18 2HG LYS 18 12.674 5.540 5.361 681 HG3 LYS 18 3HG LYS 18 11.971 3.953 5.645 682 HD2 LYS 18 2HD LYS 18 12.144 3.489 3.186 683 HD3 LYS 18 3HD LYS 18 12.926 5.050 2.969 684 HE2 LYS 18 2HE LYS 18 14.808 4.346 4.341 685 HE3 LYS 18 3HE LYS 18 13.999 2.828 4.728 686 HZ1 LYS 18 1HZ LYS 18 14.134 2.206 2.388 687 HZ2 LYS 18 2HZ LYS 18 15.671 2.518 3.017 688 HZ3 LYS 18 3HZ LYS 18 14.917 3.659 2.021 689 H GLU 19 H GLU 19 10.640 2.042 4.263 690 HA GLU 19 HA GLU 19 10.478 1.930 1.371 691 HB2 GLU 19 2HB GLU 19 11.718 -0.123 1.492 692 HB3 GLU 19 3HB GLU 19 12.412 1.010 2.644 693 HG2 GLU 19 2HG GLU 19 11.165 -0.166 4.479 694 HG3 GLU 19 3HG GLU 19 10.614 -1.331 3.284 695 H LYS 20 H LYS 20 8.678 0.554 4.084 696 HA LYS 20 HA LYS 20 6.972 -1.173 2.699 697 HB2 LYS 20 2HB LYS 20 6.536 -1.368 4.948 698 HB3 LYS 20 3HB LYS 20 6.795 0.341 5.274 699 HG2 LYS 20 2HG LYS 20 4.549 0.906 4.599 700 HG3 LYS 20 3HG LYS 20 4.282 -0.692 3.899 701 HD2 LYS 20 2HD LYS 20 4.721 -0.181 6.858 702 HD3 LYS 20 3HD LYS 20 3.136 -0.323 6.099 703 HE2 LYS 20 2HE LYS 20 3.818 -2.633 5.311 704 HE3 LYS 20 3HE LYS 20 5.271 -2.467 6.296 705 HZ1 LYS 20 1HZ LYS 20 2.476 -2.399 7.294 706 HZ2 LYS 20 2HZ LYS 20 3.856 -2.188 8.244 707 HZ3 LYS 20 3HZ LYS 20 3.577 -3.671 7.491 708 H LEU 21 H LEU 21 6.671 2.320 3.315 709 HA LEU 21 HA LEU 21 4.195 2.748 2.087 710 HB2 LEU 21 2HB LEU 21 6.474 4.753 2.369 711 HB3 LEU 21 3HB LEU 21 4.784 5.140 2.083 712 HG LEU 21 HG LEU 21 5.948 3.926 4.615 713 HD11 LEU 21 1HD1 LEU 21 4.698 6.638 4.144 714 HD12 LEU 21 2HD1 LEU 21 6.413 6.302 4.394 715 HD13 LEU 21 3HD1 LEU 21 5.262 6.005 5.694 716 HD21 LEU 21 1HD2 LEU 21 3.749 2.947 4.221 717 HD22 LEU 21 2HD2 LEU 21 3.044 4.556 4.043 718 HD23 LEU 21 3HD2 LEU 21 3.716 4.053 5.593 719 H ALA 22 H ALA 22 7.504 2.989 0.801 720 HA ALA 22 HA ALA 22 6.829 3.845 -1.837 721 HB1 ALA 22 1HB ALA 22 9.076 4.147 -0.867 722 HB2 ALA 22 2HB ALA 22 9.168 3.262 -2.387 723 HB3 ALA 22 3HB ALA 22 9.328 2.403 -0.849 724 H PHE 23 H PHE 23 7.237 0.657 -0.377 725 HA PHE 23 HA PHE 23 7.350 -0.865 -2.788 726 HB2 PHE 23 2HB PHE 23 8.280 -1.772 -0.724 727 HB3 PHE 23 3HB PHE 23 6.718 -1.686 0.083 728 HD1 PHE 23 HD1 PHE 23 8.479 -3.345 -2.784 729 HD2 PHE 23 HD2 PHE 23 5.294 -3.597 0.061 730 HE1 PHE 23 HE1 PHE 23 8.018 -5.653 -3.498 731 HE2 PHE 23 HE2 PHE 23 4.835 -5.903 -0.661 732 HZ PHE 23 HZ PHE 23 6.196 -6.933 -2.442 733 H LEU 24 H LEU 24 4.749 -0.451 -0.363 734 HA LEU 24 HA LEU 24 2.779 -1.789 -1.866 735 HB2 LEU 24 2HB LEU 24 1.135 -0.970 -0.265 736 HB3 LEU 24 3HB LEU 24 2.550 -1.599 0.538 737 HG LEU 24 HG LEU 24 3.270 0.903 0.830 738 HD11 LEU 24 1HD1 LEU 24 0.315 1.357 0.301 739 HD12 LEU 24 2HD1 LEU 24 1.657 1.945 -0.682 740 HD13 LEU 24 3HD1 LEU 24 1.451 2.538 0.956 741 HD21 LEU 24 1HD2 LEU 24 1.976 1.126 2.911 742 HD22 LEU 24 2HD2 LEU 24 2.604 -0.505 2.709 743 HD23 LEU 24 3HD2 LEU 24 0.899 -0.178 2.392 744 H LYS 25 H LYS 25 3.891 1.553 -1.853 745 HA LYS 25 HA LYS 25 1.747 2.742 -3.284 746 HB2 LYS 25 2HB LYS 25 3.351 4.076 -2.040 747 HB3 LYS 25 3HB LYS 25 4.687 3.528 -3.048 748 HG2 LYS 25 2HG LYS 25 3.811 4.772 -4.959 749 HG3 LYS 25 3HG LYS 25 2.362 5.227 -4.058 750 HD2 LYS 25 2HD LYS 25 5.214 6.070 -3.404 751 HD3 LYS 25 3HD LYS 25 3.974 7.099 -4.122 752 HE2 LYS 25 2HE LYS 25 2.605 6.869 -2.062 753 HE3 LYS 25 3HE LYS 25 3.863 5.855 -1.351 754 HZ1 LYS 25 1HZ LYS 25 4.022 8.119 -0.568 755 HZ2 LYS 25 2HZ LYS 25 4.161 8.702 -2.142 756 HZ3 LYS 25 3HZ LYS 25 5.392 7.743 -1.489 757 H LYS 26 H LYS 26 4.896 1.439 -4.446 758 HA LYS 26 HA LYS 26 4.461 2.169 -7.167 759 HB2 LYS 26 2HB LYS 26 6.389 0.756 -7.732 760 HB3 LYS 26 3HB LYS 26 6.741 1.778 -6.345 761 HG2 LYS 26 2HG LYS 26 6.436 -0.141 -4.830 762 HG3 LYS 26 3HG LYS 26 6.032 -1.176 -6.203 763 HD2 LYS 26 2HD LYS 26 8.309 -0.868 -7.129 764 HD3 LYS 26 3HD LYS 26 8.715 0.220 -5.796 765 HE2 LYS 26 2HE LYS 26 8.383 -1.650 -4.187 766 HE3 LYS 26 3HE LYS 26 8.023 -2.732 -5.539 767 HZ1 LYS 26 1HZ LYS 26 10.581 -1.265 -5.193 768 HZ2 LYS 26 2HZ LYS 26 10.235 -2.421 -6.377 769 HZ3 LYS 26 3HZ LYS 26 10.333 -2.879 -4.752 770 H GLU 27 H GLU 27 3.882 -0.856 -5.335 771 HA GLU 27 HA GLU 27 2.952 -2.325 -7.607 772 HB2 GLU 27 2HB GLU 27 2.265 -4.061 -6.123 773 HB3 GLU 27 3HB GLU 27 3.784 -3.424 -5.510 774 HG2 GLU 27 2HG GLU 27 2.669 -2.278 -3.712 775 HG3 GLU 27 3HG GLU 27 1.081 -2.623 -4.389 776 H TYR 28 H TYR 28 1.373 -0.303 -5.152 777 HA TYR 28 HA TYR 28 -1.329 -0.838 -5.651 778 HB2 TYR 28 2HB TYR 28 -0.708 0.479 -3.720 779 HB3 TYR 28 3HB TYR 28 0.080 1.704 -4.703 780 HD1 TYR 28 HD1 TYR 28 -3.252 0.325 -3.708 781 HD2 TYR 28 HD2 TYR 28 -1.179 3.592 -5.525 782 HE1 TYR 28 HE1 TYR 28 -5.306 1.657 -3.663 783 HE2 TYR 28 HE2 TYR 28 -3.239 4.930 -5.474 784 HH TYR 28 HH TYR 28 -5.657 4.574 -5.366 785 H SER 29 H SER 29 0.742 1.701 -7.046 786 HA SER 29 HA SER 29 -1.217 2.844 -8.712 787 HB2 SER 29 2HB SER 29 0.832 4.037 -8.003 788 HB3 SER 29 3HB SER 29 1.819 2.953 -8.985 789 HG SER 29 HG SER 29 -0.162 4.785 -9.868 790 H ARG 30 H ARG 30 1.286 0.391 -9.309 791 HA ARG 30 HA ARG 30 0.904 0.075 -12.104 792 HB2 ARG 30 2HB ARG 30 2.929 -0.703 -10.951 793 HB3 ARG 30 3HB ARG 30 1.992 -1.852 -9.998 794 HG2 ARG 30 2HG ARG 30 1.425 -3.075 -12.116 795 HG3 ARG 30 3HG ARG 30 2.464 -1.955 -12.996 796 HD2 ARG 30 2HD ARG 30 4.409 -2.715 -11.685 797 HD3 ARG 30 3HD ARG 30 3.371 -3.823 -10.781 798 HE ARG 30 HE ARG 30 3.579 -4.064 -13.707 799 HH11 ARG 30 1HH1 ARG 30 4.165 -5.501 -10.541 800 HH12 ARG 30 2HH1 ARG 30 4.557 -7.057 -11.201 801 HH21 ARG 30 1HH2 ARG 30 4.126 -6.084 -14.551 802 HH22 ARG 30 2HH2 ARG 30 4.531 -7.384 -13.475 803 H THR 31 H THR 31 -0.394 -1.734 -9.330 804 HA THR 31 HA THR 31 -1.731 -3.659 -10.991 805 HB THR 31 HB THR 31 -0.643 -4.245 -8.773 806 HG1 THR 31 HG1 THR 31 -3.328 -4.999 -9.354 807 HG21 THR 31 1HG2 THR 31 -3.231 -3.159 -7.607 808 HG22 THR 31 2HG2 THR 31 -1.636 -2.451 -7.363 809 HG23 THR 31 3HG2 THR 31 -1.989 -4.062 -6.732 810 H LEU 32 H LEU 32 -2.682 -0.800 -9.195 811 HA LEU 32 HA LEU 32 -5.497 -1.062 -9.510 812 HB2 LEU 32 2HB LEU 32 -4.505 0.531 -7.929 813 HB3 LEU 32 3HB LEU 32 -3.770 1.449 -9.226 814 HG LEU 32 HG LEU 32 -6.807 1.218 -9.174 815 HD11 LEU 32 1HD1 LEU 32 -5.271 3.165 -7.413 816 HD12 LEU 32 2HD1 LEU 32 -6.263 1.815 -6.856 817 HD13 LEU 32 3HD1 LEU 32 -7.017 3.167 -7.694 818 HD21 LEU 32 1HD2 LEU 32 -4.944 3.472 -10.005 819 HD22 LEU 32 2HD2 LEU 32 -6.707 3.488 -10.141 820 HD23 LEU 32 3HD2 LEU 32 -5.759 2.344 -11.088 821 H ALA 33 H ALA 33 -2.917 0.391 -11.481 822 HA ALA 33 HA ALA 33 -4.380 1.478 -13.570 823 HB1 ALA 33 1HB ALA 33 -1.951 1.784 -13.263 824 HB2 ALA 33 2HB ALA 33 -2.341 1.277 -14.906 825 HB3 ALA 33 3HB ALA 33 -1.673 0.111 -13.756 826 H ARG 34 H ARG 34 -2.964 -1.824 -13.405 827 HA ARG 34 HA ARG 34 -4.063 -2.719 -15.869 828 HB2 ARG 34 2HB ARG 34 -3.211 -4.908 -15.296 829 HB3 ARG 34 3HB ARG 34 -2.025 -3.690 -14.859 830 HG2 ARG 34 2HG ARG 34 -2.885 -3.863 -12.475 831 HG3 ARG 34 3HG ARG 34 -3.830 -5.254 -12.999 832 HD2 ARG 34 2HD ARG 34 -0.809 -4.996 -13.076 833 HD3 ARG 34 3HD ARG 34 -1.756 -5.985 -11.957 834 HE ARG 34 HE ARG 34 -2.109 -6.547 -14.793 835 HH11 ARG 34 1HH1 ARG 34 -0.455 -7.482 -11.831 836 HH12 ARG 34 2HH1 ARG 34 -0.071 -9.072 -12.409 837 HH21 ARG 34 1HH2 ARG 34 -1.629 -8.608 -15.527 838 HH22 ARG 34 2HH2 ARG 34 -0.739 -9.715 -14.524 839 H LEU 35 H LEU 35 -5.204 -2.930 -12.533 840 HA LEU 35 HA LEU 35 -7.399 -4.652 -12.820 841 HB2 LEU 35 2HB LEU 35 -6.625 -3.882 -10.611 842 HB3 LEU 35 3HB LEU 35 -7.043 -2.225 -11.010 843 HG LEU 35 HG LEU 35 -9.477 -2.876 -11.054 844 HD11 LEU 35 1HD1 LEU 35 -8.538 -5.573 -10.043 845 HD12 LEU 35 2HD1 LEU 35 -9.287 -5.236 -11.609 846 HD13 LEU 35 3HD1 LEU 35 -10.211 -5.012 -10.128 847 HD21 LEU 35 1HD2 LEU 35 -8.518 -1.889 -9.029 848 HD22 LEU 35 2HD2 LEU 35 -8.074 -3.490 -8.434 849 HD23 LEU 35 3HD2 LEU 35 -9.775 -3.061 -8.628 850 H GLN 36 H GLN 36 -7.109 -1.133 -13.222 851 HA GLN 36 HA GLN 36 -9.819 -0.645 -13.934 852 HB2 GLN 36 2HB GLN 36 -7.301 1.036 -14.294 853 HB3 GLN 36 3HB GLN 36 -8.924 1.608 -14.655 854 HG2 GLN 36 2HG GLN 36 -7.947 0.735 -11.925 855 HG3 GLN 36 3HG GLN 36 -8.142 2.399 -12.459 856 HE21 GLN 36 1HE2 GLN 36 -9.381 1.021 -10.200 857 HE22 GLN 36 2HE2 GLN 36 -11.086 1.149 -10.428 858 H ARG 37 H ARG 37 -6.904 -1.386 -15.825 859 HA ARG 37 HA ARG 37 -8.025 -0.738 -18.392 860 HB2 ARG 37 2HB ARG 37 -5.656 -2.542 -17.693 861 HB3 ARG 37 3HB ARG 37 -6.082 -2.043 -19.328 862 HG2 ARG 37 2HG ARG 37 -5.225 -0.208 -17.075 863 HG3 ARG 37 3HG ARG 37 -4.236 -0.686 -18.447 864 HD2 ARG 37 2HD ARG 37 -5.699 0.529 -19.977 865 HD3 ARG 37 3HD ARG 37 -6.820 0.899 -18.663 866 HE ARG 37 HE ARG 37 -4.146 1.857 -18.193 867 HH11 ARG 37 1HH1 ARG 37 -7.227 2.661 -19.724 868 HH12 ARG 37 2HH1 ARG 37 -6.932 4.374 -19.667 869 HH21 ARG 37 1HH2 ARG 37 -3.798 4.097 -18.134 870 HH22 ARG 37 2HH2 ARG 37 -4.998 5.184 -18.767 871 H ALA 38 H ALA 38 -7.977 -3.622 -16.390 872 HA ALA 38 HA ALA 38 -9.041 -5.427 -18.363 873 HB1 ALA 38 1HB ALA 38 -8.925 -5.713 -15.330 874 HB2 ALA 38 2HB ALA 38 -7.671 -6.222 -16.458 875 HB3 ALA 38 3HB ALA 38 -9.245 -7.011 -16.491 876 H LYS 39 H LYS 39 -10.421 -3.710 -15.542 877 HA LYS 39 HA LYS 39 -13.003 -4.955 -15.821 878 HB2 LYS 39 2HB LYS 39 -13.662 -3.720 -13.849 879 HB3 LYS 39 3HB LYS 39 -12.043 -4.357 -13.607 880 HG2 LYS 39 2HG LYS 39 -11.093 -2.119 -14.104 881 HG3 LYS 39 3HG LYS 39 -12.719 -1.476 -14.303 882 HD2 LYS 39 2HD LYS 39 -11.582 -2.653 -11.732 883 HD3 LYS 39 3HD LYS 39 -11.795 -0.936 -12.074 884 HE2 LYS 39 2HE LYS 39 -14.252 -1.296 -12.255 885 HE3 LYS 39 3HE LYS 39 -14.010 -2.994 -11.842 886 HZ1 LYS 39 1HZ LYS 39 -13.065 -2.294 -9.718 887 HZ2 LYS 39 2HZ LYS 39 -14.643 -1.715 -9.897 888 HZ3 LYS 39 3HZ LYS 39 -13.333 -0.677 -10.116 889 H ARG 40 H ARG 40 -11.683 -1.777 -16.717 890 HA ARG 40 HA ARG 40 -14.308 -0.662 -17.310 891 HB2 ARG 40 2HB ARG 40 -11.532 0.479 -17.857 892 HB3 ARG 40 3HB ARG 40 -13.045 1.336 -18.133 893 HG2 ARG 40 2HG ARG 40 -13.550 1.171 -15.678 894 HG3 ARG 40 3HG ARG 40 -11.973 0.416 -15.446 895 HD2 ARG 40 2HD ARG 40 -12.485 3.233 -16.462 896 HD3 ARG 40 3HD ARG 40 -11.844 2.777 -14.880 897 HE ARG 40 HE ARG 40 -10.285 1.830 -17.120 898 HH11 ARG 40 1HH1 ARG 40 -10.687 4.484 -14.829 899 HH12 ARG 40 2HH1 ARG 40 -9.066 5.072 -15.063 900 HH21 ARG 40 1HH2 ARG 40 -8.192 2.624 -17.402 901 HH22 ARG 40 2HH2 ARG 40 -7.660 4.020 -16.512 902 H ALA 41 H ALA 41 -11.545 -1.900 -19.225 903 HA ALA 41 HA ALA 41 -12.667 -1.240 -21.790 904 HB1 ALA 41 1HB ALA 41 -10.882 -2.646 -22.734 905 HB2 ALA 41 2HB ALA 41 -10.470 -3.234 -21.118 906 HB3 ALA 41 3HB ALA 41 -10.254 -1.531 -21.525 907 H GLU 42 H GLU 42 -12.244 -4.301 -20.015 908 HA GLU 42 HA GLU 42 -13.018 -6.400 -20.278 909 HB2 GLU 42 2HB GLU 42 -15.610 -4.938 -20.939 910 HB3 GLU 42 3HB GLU 42 -15.490 -6.648 -20.524 911 HG2 GLU 42 2HG GLU 42 -14.539 -6.030 -18.313 912 HG3 GLU 42 3HG GLU 42 -14.744 -4.330 -18.723 913 H LYS 43 H LYS 43 -11.645 -5.517 -22.470 914 HA LYS 43 HA LYS 43 -12.684 -6.040 -25.012 915 HB2 LYS 43 2HB LYS 43 -10.391 -6.251 -25.765 916 HB3 LYS 43 3HB LYS 43 -10.422 -5.025 -24.514 917 HG2 LYS 43 2HG LYS 43 -9.573 -7.895 -24.033 918 HG3 LYS 43 3HG LYS 43 -8.455 -6.593 -24.417 919 HD2 LYS 43 2HD LYS 43 -9.029 -5.430 -22.332 920 HD3 LYS 43 3HD LYS 43 -10.264 -6.646 -21.973 921 HE2 LYS 43 2HE LYS 43 -8.176 -7.037 -20.685 922 HE3 LYS 43 3HE LYS 43 -8.545 -8.384 -21.764 923 HZ1 LYS 43 1HZ LYS 43 -6.567 -6.224 -22.313 924 HZ2 LYS 43 2HZ LYS 43 -6.902 -7.532 -23.333 925 HZ3 LYS 43 3HZ LYS 43 -6.197 -7.798 -21.818 926 H ALA 44 H ALA 44 -11.761 -8.249 -22.462 927 HA ALA 44 HA ALA 44 -11.550 -10.648 -24.013 928 HB1 ALA 44 1HB ALA 44 -11.454 -11.785 -21.835 929 HB2 ALA 44 2HB ALA 44 -11.942 -10.287 -21.032 930 HB3 ALA 44 3HB ALA 44 -10.396 -10.371 -21.871 931 H LYS 45 H LYS 45 -14.236 -8.809 -23.247 932 HA LYS 45 HA LYS 45 -16.379 -10.523 -22.907 933 HB2 LYS 45 2HB LYS 45 -16.669 -8.100 -22.908 934 HB3 LYS 45 3HB LYS 45 -16.077 -7.966 -24.555 935 HG2 LYS 45 2HG LYS 45 -18.379 -7.609 -24.753 936 HG3 LYS 45 3HG LYS 45 -18.200 -9.284 -25.245 937 HD2 LYS 45 2HD LYS 45 -18.978 -8.539 -22.403 938 HD3 LYS 45 3HD LYS 45 -20.170 -8.646 -23.692 939 HE2 LYS 45 2HE LYS 45 -19.545 -11.006 -24.078 940 HE3 LYS 45 3HE LYS 45 -18.376 -10.900 -22.757 941 HZ1 LYS 45 1HZ LYS 45 -21.321 -10.548 -22.515 942 HZ2 LYS 45 2HZ LYS 45 -20.218 -10.386 -21.245 943 HZ3 LYS 45 3HZ LYS 45 -20.430 -11.886 -21.994 944 H ASN 46 H ASN 46 -14.500 -9.767 -25.805 945 HA ASN 46 HA ASN 46 -14.486 -10.421 -27.944 946 HB2 ASN 46 2HB ASN 46 -14.142 -12.705 -27.018 947 HB3 ASN 46 3HB ASN 46 -15.882 -12.958 -26.929 948 HD21 ASN 46 1HD2 ASN 46 -13.127 -12.699 -29.068 949 HD22 ASN 46 2HD2 ASN 46 -13.896 -13.359 -30.464 950 H SER 47 H SER 47 -15.890 -8.604 -28.225 951 HA SER 47 HA SER 47 -18.757 -9.038 -28.605 952 HB2 SER 47 2HB SER 47 -18.737 -6.531 -28.973 953 HB3 SER 47 3HB SER 47 -18.101 -7.039 -27.406 954 HG SER 47 HG SER 47 -16.900 -5.444 -28.966 955 H LYS 48 H LYS 48 -19.081 -7.106 -30.735 956 HA LYS 48 HA LYS 48 -18.737 -8.741 -33.035 957 HB2 LYS 48 2HB LYS 48 -19.559 -5.815 -32.819 958 HB3 LYS 48 3HB LYS 48 -19.698 -6.797 -34.273 959 HG2 LYS 48 2HG LYS 48 -21.122 -7.392 -31.661 960 HG3 LYS 48 3HG LYS 48 -21.846 -6.552 -33.031 961 HD2 LYS 48 2HD LYS 48 -21.603 -8.547 -34.437 962 HD3 LYS 48 3HD LYS 48 -20.759 -9.396 -33.134 963 HE2 LYS 48 2HE LYS 48 -23.106 -10.114 -33.273 964 HE3 LYS 48 3HE LYS 48 -22.801 -9.295 -31.741 965 HZ1 LYS 48 1HZ LYS 48 -24.893 -8.612 -32.735 966 HZ2 LYS 48 2HZ LYS 48 -24.096 -8.088 -34.134 967 HZ3 LYS 48 3HZ LYS 48 -23.827 -7.302 -32.662 968 H LYS 49 H LYS 49 -16.622 -9.160 -33.359 969 HA LYS 49 HA LYS 49 -14.478 -7.270 -33.434 970 HB2 LYS 49 2HB LYS 49 -14.667 -10.100 -34.556 971 HB3 LYS 49 3HB LYS 49 -13.173 -9.189 -34.339 972 HG2 LYS 49 2HG LYS 49 -13.486 -9.195 -31.898 973 HG3 LYS 49 3HG LYS 49 -15.033 -10.031 -32.085 974 HD2 LYS 49 2HD LYS 49 -13.245 -11.623 -31.455 975 HD3 LYS 49 3HD LYS 49 -13.886 -11.989 -33.057 976 HE2 LYS 49 2HE LYS 49 -11.937 -10.838 -34.081 977 HE3 LYS 49 3HE LYS 49 -11.287 -10.528 -32.466 978 HZ1 LYS 49 1HZ LYS 49 -11.136 -12.903 -32.096 979 HZ2 LYS 49 2HZ LYS 49 -10.283 -12.483 -33.488 980 HZ3 LYS 49 3HZ LYS 49 -11.794 -13.229 -33.621 981 H ALA 50 H ALA 50 -13.010 -7.605 -35.597 982 HA ALA 50 HA ALA 50 -14.155 -6.025 -37.624 983 HB1 ALA 50 1HB ALA 50 -12.073 -6.399 -38.832 984 HB2 ALA 50 2HB ALA 50 -11.665 -7.759 -37.790 985 HB3 ALA 50 3HB ALA 50 -11.721 -6.123 -37.128 986 H ILE 51 H ILE 51 -15.552 -6.579 -39.174 987 HA ILE 51 HA ILE 51 -16.221 -9.295 -39.879 988 HB ILE 51 HB ILE 51 -17.707 -8.215 -41.667 989 HG12 ILE 51 2HG1 ILE 51 -18.117 -5.634 -41.181 990 HG13 ILE 51 3HG1 ILE 51 -16.482 -5.658 -40.540 991 HG21 ILE 51 1HG2 ILE 51 -18.592 -8.821 -39.459 992 HG22 ILE 51 2HG2 ILE 51 -19.340 -7.334 -40.036 993 HG23 ILE 51 3HG2 ILE 51 -18.085 -7.259 -38.802 994 HD11 ILE 51 1HD1 ILE 51 -17.272 -6.369 -43.367 995 HD12 ILE 51 2HD1 ILE 51 -15.626 -6.303 -42.735 996 HD13 ILE 51 3HD1 ILE 51 -16.592 -4.831 -42.840 997 H GLU 52 H GLU 52 -13.821 -7.154 -40.907 998 HA GLU 52 HA GLU 52 -13.469 -8.004 -43.628 999 HB2 GLU 52 2HB GLU 52 -11.410 -6.653 -43.539 1000 HB3 GLU 52 3HB GLU 52 -12.761 -5.749 -42.876 1001 HG2 GLU 52 2HG GLU 52 -11.986 -6.129 -40.604 1002 HG3 GLU 52 3HG GLU 52 -10.728 -7.218 -41.168 1003 H ASP 53 H ASP 53 -10.794 -8.469 -43.936 1004 HA ASP 53 HA ASP 53 -10.458 -11.212 -43.408 1005 HB2 ASP 53 2HB ASP 53 -8.419 -9.095 -44.225 1006 HB3 ASP 53 3HB ASP 53 -8.071 -10.819 -44.187 1007 H GLY 54 H GLY 54 -10.184 -12.061 -41.442 1008 HA2 GLY 54 2HA GLY 54 -8.605 -10.730 -39.329 1009 HA3 GLY 54 3HA GLY 54 -9.608 -12.164 -39.154 1010 H VAL 55 H VAL 55 -7.572 -12.186 -41.883 1011 HA VAL 55 HA VAL 55 -6.114 -14.463 -41.204 1012 HB VAL 55 HB VAL 55 -6.472 -13.827 -43.542 1013 HG11 VAL 55 1HG1 VAL 55 -6.376 -11.392 -43.345 1014 HG12 VAL 55 2HG1 VAL 55 -5.304 -11.948 -44.633 1015 HG13 VAL 55 3HG1 VAL 55 -4.634 -11.459 -43.074 1016 HG21 VAL 55 1HG2 VAL 55 -4.183 -14.196 -44.478 1017 HG22 VAL 55 2HG2 VAL 55 -4.541 -15.281 -43.136 1018 HG23 VAL 55 3HG2 VAL 55 -3.495 -13.884 -42.880 1019 HA PRO 56 HA PRO 56 -2.854 -12.611 -38.608 1020 HB2 PRO 56 2HB PRO 56 -1.306 -14.811 -38.189 1021 HB3 PRO 56 3HB PRO 56 -2.932 -14.703 -37.481 1022 HG2 PRO 56 2HG PRO 56 -2.072 -16.119 -39.995 1023 HG3 PRO 56 3HG PRO 56 -3.096 -16.718 -38.666 1024 HD2 PRO 56 2HD PRO 56 -4.161 -15.735 -40.972 1025 HD3 PRO 56 3HD PRO 56 -4.973 -15.562 -39.402 1026 H GLN 57 H GLN 57 -0.272 -12.913 -38.609 1027 HA GLN 57 HA GLN 57 0.765 -12.077 -41.160 1028 HB2 GLN 57 2HB GLN 57 2.879 -11.787 -40.065 1029 HB3 GLN 57 3HB GLN 57 1.655 -11.264 -38.928 1030 HG2 GLN 57 2HG GLN 57 3.070 -13.939 -38.835 1031 HG3 GLN 57 3HG GLN 57 3.521 -12.532 -37.887 1032 HE21 GLN 57 1HE2 GLN 57 1.193 -15.102 -38.252 1033 HE22 GLN 57 2HE2 GLN 57 0.433 -14.885 -36.714 1034 HA PRO 58 HA PRO 58 1.702 -15.936 -43.117 1035 HB2 PRO 58 2HB PRO 58 4.265 -15.541 -44.189 1036 HB3 PRO 58 3HB PRO 58 2.766 -14.908 -44.870 1037 HG2 PRO 58 2HG PRO 58 4.748 -13.510 -43.132 1038 HG3 PRO 58 3HG PRO 58 3.903 -12.916 -44.582 1039 HD2 PRO 58 2HD PRO 58 3.077 -12.201 -42.131 1040 HD3 PRO 58 3HD PRO 58 1.898 -12.529 -43.420 1041 H GLU 59 H GLU 59 4.499 -14.889 -41.100 1042 HA GLU 59 HA GLU 59 5.129 -17.754 -40.542 1043 HB2 GLU 59 2HB GLU 59 6.694 -16.854 -42.217 1044 HB3 GLU 59 3HB GLU 59 7.092 -15.505 -41.157 1045 HG2 GLU 59 2HG GLU 59 8.019 -17.139 -39.489 1046 HG3 GLU 59 3HG GLU 59 7.715 -18.436 -40.644 1047 H ALA 60 H ALA 60 5.801 -14.417 -39.435 1048 HA ALA 60 HA ALA 60 6.467 -13.490 -37.517 1049 HB1 ALA 60 1HB ALA 60 5.527 -14.226 -35.381 1050 HB2 ALA 60 2HB ALA 60 4.995 -15.743 -36.110 1051 HB3 ALA 60 3HB ALA 60 4.286 -14.216 -36.634 1052 H LEU 61 H LEU 61 8.652 -13.918 -38.100 1053 HA LEU 61 HA LEU 61 10.055 -16.100 -36.774 1054 HB2 LEU 61 2HB LEU 61 10.800 -15.162 -38.998 1055 HB3 LEU 61 3HB LEU 61 11.176 -13.645 -38.194 1056 HG LEU 61 HG LEU 61 12.847 -14.947 -36.744 1057 HD11 LEU 61 1HD1 LEU 61 12.365 -17.141 -38.774 1058 HD12 LEU 61 2HD1 LEU 61 11.934 -17.179 -37.060 1059 HD13 LEU 61 3HD1 LEU 61 13.627 -17.115 -37.537 1060 HD21 LEU 61 1HD2 LEU 61 13.590 -13.533 -38.600 1061 HD22 LEU 61 2HD2 LEU 61 13.386 -14.870 -39.734 1062 HD23 LEU 61 3HD2 LEU 61 14.607 -14.969 -38.461 1063 H GLU 62 H GLU 62 10.850 -15.935 -34.710 1064 HA GLU 62 HA GLU 62 10.034 -13.731 -33.071 1065 HB2 GLU 62 2HB GLU 62 10.110 -16.310 -32.542 1066 HB3 GLU 62 3HB GLU 62 11.790 -16.037 -32.127 1067 HG2 GLU 62 2HG GLU 62 9.470 -14.576 -30.817 1068 HG3 GLU 62 3HG GLU 62 10.174 -16.058 -30.182
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