NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
578314 | 2mpc | 19875 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 4 1H THR 4 -0.500 -0.433 -0.750 2 HA THR 4 HA THR 4 1.827 -0.474 0.910 3 HB THR 4 HB THR 4 3.111 -0.770 -1.151 4 HG1 THR 4 HG1 THR 4 0.678 -0.112 -2.505 5 HG21 THR 4 3HG2 THR 4 0.415 -2.177 -1.306 6 HG22 THR 4 1HG2 THR 4 1.913 -2.708 -2.106 7 HG23 THR 4 2HG2 THR 4 1.807 -2.702 -0.329 8 HA PRO 5 HA PRO 5 3.459 3.567 1.119 9 HB2 PRO 5 1HB PRO 5 6.010 2.420 -0.085 10 HB3 PRO 5 2HB PRO 5 5.816 3.351 1.406 11 HG2 PRO 5 1HG PRO 5 6.230 0.723 1.555 12 HG3 PRO 5 2HG PRO 5 5.055 1.477 2.640 13 HD2 PRO 5 1HD PRO 5 4.545 -0.158 0.123 14 HD3 PRO 5 2HD PRO 5 3.651 -0.161 1.648 15 H SER 6 HN SER 6 3.997 1.750 -1.867 16 HA SER 6 HA SER 6 4.552 4.052 -3.566 17 HB2 SER 6 1HB SER 6 4.339 2.666 -5.339 18 HB3 SER 6 2HB SER 6 5.194 1.791 -4.048 19 HG SER 6 HG SER 6 2.970 0.961 -3.561 20 H ASP 7 HN ASP 7 1.630 2.468 -2.355 21 HA ASP 7 HA ASP 7 -0.167 3.795 -4.240 22 HB2 ASP 7 1HB ASP 7 -0.726 2.292 -1.612 23 HB3 ASP 7 2HB ASP 7 -1.863 3.120 -2.704 24 H HIS 8 HN HIS 8 1.018 4.439 -0.977 25 HA HIS 8 HA HIS 8 -0.698 6.768 -0.604 26 HB2 HIS 8 1HB HIS 8 1.823 5.809 0.819 27 HB3 HIS 8 2HB HIS 8 0.899 7.252 1.298 28 HD1 HIS 8 HD1 HIS 8 -1.770 6.672 1.797 29 HD2 HIS 8 HD2 HIS 8 0.962 3.481 2.135 30 HE1 HIS 8 HE1 HIS 8 -2.847 5.012 3.230 31 H LEU 9 HN LEU 9 2.620 6.235 -1.737 32 HA LEU 9 HA LEU 9 3.219 9.019 -2.171 33 HB2 LEU 9 1HB LEU 9 4.079 6.479 -3.375 34 HB3 LEU 9 2HB LEU 9 4.884 7.975 -3.903 35 HG LEU 9 HG LEU 9 4.840 6.932 -1.046 36 HD11 LEU 9 1HD1 LEU 9 7.253 6.370 -1.439 37 HD12 LEU 9 2HD1 LEU 9 6.191 5.460 -2.537 38 HD13 LEU 9 3HD1 LEU 9 7.080 6.881 -3.134 39 HD21 LEU 9 3HD2 LEU 9 5.034 9.344 -1.189 40 HD22 LEU 9 1HD2 LEU 9 6.579 8.642 -0.656 41 HD23 LEU 9 2HD2 LEU 9 6.386 9.197 -2.337 42 H LEU 10 HN LEU 10 1.673 6.548 -4.190 43 HA LEU 10 HA LEU 10 1.383 8.122 -6.545 44 HB2 LEU 10 1HB LEU 10 1.007 5.790 -6.265 45 HB3 LEU 10 2HB LEU 10 -0.554 6.013 -5.442 46 HG LEU 10 HG LEU 10 0.050 7.079 -8.221 47 HD11 LEU 10 1HD1 LEU 10 -1.293 5.140 -9.076 48 HD12 LEU 10 2HD1 LEU 10 0.171 4.589 -8.229 49 HD13 LEU 10 3HD1 LEU 10 -1.410 4.509 -7.417 50 HD21 LEU 10 3HD2 LEU 10 -1.735 8.223 -7.044 51 HD22 LEU 10 1HD2 LEU 10 -2.409 7.260 -8.380 52 HD23 LEU 10 2HD2 LEU 10 -2.543 6.674 -6.704 53 H SER 11 HN SER 11 -0.912 7.713 -3.834 54 HA SER 11 HA SER 11 -2.922 9.533 -4.808 55 HB2 SER 11 1HB SER 11 -2.291 8.627 -2.065 56 HB3 SER 11 2HB SER 11 -3.701 9.590 -2.564 57 HG SER 11 HG SER 11 -4.132 7.341 -2.515 58 H THR 12 HN THR 12 -0.048 9.970 -2.727 59 HA THR 12 HA THR 12 -0.599 12.688 -1.981 60 HB THR 12 HB THR 12 2.058 11.214 -2.214 61 HG1 THR 12 HG1 THR 12 0.344 11.739 0.017 62 HG21 THR 12 3HG2 THR 12 1.341 13.804 -0.783 63 HG22 THR 12 1HG2 THR 12 2.913 12.974 -0.706 64 HG23 THR 12 2HG2 THR 12 2.347 13.668 -2.245 65 H LEU 13 HN LEU 13 1.312 11.310 -4.650 66 HA LEU 13 HA LEU 13 1.938 14.016 -5.644 67 HB2 LEU 13 1HB LEU 13 2.402 11.275 -6.618 68 HB3 LEU 13 2HB LEU 13 3.092 12.654 -7.505 69 HG LEU 13 HG LEU 13 3.783 11.757 -4.680 70 HD11 LEU 13 1HD1 LEU 13 6.058 11.370 -5.665 71 HD12 LEU 13 2HD1 LEU 13 4.821 10.390 -6.488 72 HD13 LEU 13 3HD1 LEU 13 5.438 11.873 -7.255 73 HD21 LEU 13 3HD2 LEU 13 3.771 14.178 -4.816 74 HD22 LEU 13 1HD2 LEU 13 5.445 13.585 -4.693 75 HD23 LEU 13 2HD2 LEU 13 4.806 14.131 -6.263 76 H GLU 14 HN GLU 14 -0.528 11.666 -6.074 77 HA GLU 14 HA GLU 14 -1.519 12.689 -8.606 78 HB2 GLU 14 1HB GLU 14 -2.176 10.520 -7.669 79 HB3 GLU 14 2HB GLU 14 -2.960 11.356 -6.307 80 HG2 GLU 14 1HG GLU 14 -4.569 12.431 -7.979 81 HG3 GLU 14 2HG GLU 14 -3.666 11.514 -9.207 82 H GLU 15 HN GLU 15 -2.185 13.469 -5.197 83 HA GLU 15 HA GLU 15 -4.055 15.596 -5.843 84 HB2 GLU 15 1HB GLU 15 -2.423 14.944 -3.390 85 HB3 GLU 15 2HB GLU 15 -3.562 16.308 -3.487 86 HG2 GLU 15 1HG GLU 15 -5.445 14.643 -3.901 87 HG3 GLU 15 2HG GLU 15 -4.174 13.401 -3.823 88 H LEU 16 HN LEU 16 -0.572 15.384 -5.551 89 HA LEU 16 HA LEU 16 0.059 18.139 -5.351 90 HB2 LEU 16 1HB LEU 16 1.588 16.428 -5.144 91 HB3 LEU 16 2HB LEU 16 1.513 15.883 -6.836 92 HG LEU 16 HG LEU 16 2.338 18.171 -7.512 93 HD11 LEU 16 1HD1 LEU 16 3.489 19.522 -5.738 94 HD12 LEU 16 2HD1 LEU 16 1.750 19.358 -5.400 95 HD13 LEU 16 3HD1 LEU 16 2.928 18.362 -4.512 96 HD21 LEU 16 3HD2 LEU 16 3.818 16.251 -7.477 97 HD22 LEU 16 1HD2 LEU 16 4.698 17.704 -6.947 98 HD23 LEU 16 2HD2 LEU 16 4.155 16.505 -5.748 99 H VAL 17 HN VAL 17 -0.279 19.829 -6.539 100 HA VAL 17 HA VAL 17 -1.663 19.698 -9.081 101 HB VAL 17 HB VAL 17 -0.087 21.971 -7.802 102 HG11 VAL 17 1HG1 VAL 17 -1.380 23.415 -9.336 103 HG12 VAL 17 2HG1 VAL 17 -0.372 22.260 -10.240 104 HG13 VAL 17 3HG1 VAL 17 -2.120 21.973 -10.069 105 HG21 VAL 17 3HG2 VAL 17 -1.917 21.232 -6.397 106 HG22 VAL 17 1HG2 VAL 17 -2.272 22.820 -7.115 107 HG23 VAL 17 2HG2 VAL 17 -3.045 21.356 -7.768 108 HA PRO 18 HA PRO 18 1.481 18.489 -11.795 109 HB2 PRO 18 1HB PRO 18 -0.191 20.179 -13.719 110 HB3 PRO 18 2HB PRO 18 0.427 18.537 -13.947 111 HG2 PRO 18 1HG PRO 18 -2.147 18.887 -13.357 112 HG3 PRO 18 2HG PRO 18 -1.256 17.568 -12.586 113 HD2 PRO 18 1HD PRO 18 -2.104 20.234 -11.408 114 HD3 PRO 18 2HD PRO 18 -2.006 18.652 -10.624 115 H TYR 19 HN TYR 19 0.370 21.863 -11.768 116 HA TYR 19 HA TYR 19 2.742 22.925 -13.005 117 HB2 TYR 19 1HB TYR 19 0.698 24.118 -11.128 118 HB3 TYR 19 2HB TYR 19 2.029 25.044 -11.864 119 HD1 TYR 19 HD2 TYR 19 2.137 25.156 -14.413 120 HD2 TYR 19 HD1 TYR 19 -1.310 23.768 -12.321 121 HE1 TYR 19 HE2 TYR 19 0.768 25.538 -16.436 122 HE2 TYR 19 HE1 TYR 19 -2.697 24.145 -14.340 123 HH TYR 19 HH TYR 19 -1.307 25.420 -17.367 124 H ASP 20 HN ASP 20 1.974 22.004 -9.707 125 HA ASP 20 HA ASP 20 4.500 23.118 -8.672 126 HB2 ASP 20 1HB ASP 20 2.383 21.315 -7.351 127 HB3 ASP 20 2HB ASP 20 3.939 21.899 -6.711 128 H PHE 21 HN PHE 21 3.274 20.040 -9.837 129 HA PHE 21 HA PHE 21 5.475 18.414 -8.969 130 HB2 PHE 21 1HB PHE 21 3.388 17.424 -9.820 131 HB3 PHE 21 2HB PHE 21 3.679 18.144 -11.419 132 HD1 PHE 21 HD1 PHE 21 5.147 15.790 -8.940 133 HD2 PHE 21 HD2 PHE 21 4.830 16.984 -13.029 134 HE1 PHE 21 HE1 PHE 21 6.387 13.764 -9.626 135 HE2 PHE 21 HE2 PHE 21 6.068 14.959 -13.719 136 HZ PHE 21 HZ PHE 21 6.848 13.349 -12.016 137 H GLU 22 HN GLU 22 5.039 20.522 -11.773 138 HA GLU 22 HA GLU 22 7.346 19.933 -13.249 139 HB2 GLU 22 1HB GLU 22 5.697 21.630 -13.860 140 HB3 GLU 22 2HB GLU 22 6.250 22.651 -12.511 141 HG2 GLU 22 1HG GLU 22 8.518 22.846 -13.647 142 HG3 GLU 22 2HG GLU 22 7.835 21.769 -14.887 143 H LYS 23 HN LYS 23 7.114 21.880 -10.280 144 HA LYS 23 HA LYS 23 10.029 22.275 -10.214 145 HB2 LYS 23 1HB LYS 23 7.816 22.858 -8.242 146 HB3 LYS 23 2HB LYS 23 9.533 23.237 -7.970 147 HG2 LYS 23 1HG LYS 23 9.501 24.709 -9.964 148 HG3 LYS 23 2HG LYS 23 7.767 24.365 -10.169 149 HD2 LYS 23 1HD LYS 23 7.319 25.318 -7.937 150 HD3 LYS 23 2HD LYS 23 9.052 25.680 -7.751 151 HE2 LYS 23 1HE LYS 23 8.959 27.157 -9.709 152 HE3 LYS 23 2HE LYS 23 7.231 26.789 -9.910 153 HZ1 LYS 23 3HZ LYS 23 8.439 28.124 -7.573 154 HZ2 LYS 23 1HZ LYS 23 7.569 28.869 -8.759 155 HZ3 LYS 23 2HZ LYS 23 6.836 27.782 -7.758 156 H PHE 24 HN PHE 24 7.669 20.094 -8.796 157 HA PHE 24 HA PHE 24 9.260 18.923 -6.765 158 HB2 PHE 24 1HB PHE 24 6.864 18.386 -7.091 159 HB3 PHE 24 2HB PHE 24 7.255 17.561 -8.617 160 HD1 PHE 24 HD2 PHE 24 8.438 15.443 -8.619 161 HD2 PHE 24 HD1 PHE 24 7.281 17.370 -4.986 162 HE1 PHE 24 HE2 PHE 24 8.778 13.325 -7.390 163 HE2 PHE 24 HE1 PHE 24 7.621 15.254 -3.753 164 HZ PHE 24 HZ PHE 24 8.370 13.232 -4.955 165 H LYS 25 HN LYS 25 9.033 18.004 -10.210 166 HA LYS 25 HA LYS 25 11.005 15.884 -9.892 167 HB2 LYS 25 1HB LYS 25 10.800 15.563 -12.215 168 HB3 LYS 25 2HB LYS 25 9.174 15.915 -11.583 169 HG2 LYS 25 1HG LYS 25 9.433 18.272 -12.363 170 HG3 LYS 25 2HG LYS 25 10.992 17.820 -13.095 171 HD2 LYS 25 1HD LYS 25 9.720 16.036 -14.390 172 HD3 LYS 25 2HD LYS 25 8.225 16.819 -13.823 173 HE2 LYS 25 1HE LYS 25 8.940 18.933 -14.856 174 HE3 LYS 25 2HE LYS 25 10.433 18.150 -15.425 175 HZ1 LYS 25 3HZ LYS 25 7.693 17.397 -16.218 176 HZ2 LYS 25 1HZ LYS 25 8.763 18.240 -17.148 177 HZ3 LYS 25 2HZ LYS 25 9.077 16.671 -16.746 178 H PHE 26 HN PHE 26 11.134 19.286 -10.615 179 HA PHE 26 HA PHE 26 13.858 19.284 -11.621 180 HB2 PHE 26 1HB PHE 26 12.106 21.436 -10.369 181 HB3 PHE 26 2HB PHE 26 13.754 21.736 -10.965 182 HD1 PHE 26 HD1 PHE 26 12.832 19.398 -13.170 183 HD2 PHE 26 HD2 PHE 26 11.708 23.357 -12.023 184 HE1 PHE 26 HE1 PHE 26 11.940 19.801 -15.440 185 HE2 PHE 26 HE2 PHE 26 10.813 23.763 -14.291 186 HZ PHE 26 HZ PHE 26 10.930 21.984 -16.001 187 H LYS 27 HN LYS 27 12.404 19.421 -8.411 188 HA LYS 27 HA LYS 27 15.006 19.857 -7.109 189 HB2 LYS 27 1HB LYS 27 12.246 19.178 -6.094 190 HB3 LYS 27 2HB LYS 27 13.672 19.345 -5.044 191 HG2 LYS 27 1HG LYS 27 12.553 21.526 -6.838 192 HG3 LYS 27 2HG LYS 27 12.254 21.388 -5.089 193 HD2 LYS 27 1HD LYS 27 14.698 21.545 -4.685 194 HD3 LYS 27 2HD LYS 27 14.952 21.761 -6.434 195 HE2 LYS 27 1HE LYS 27 13.587 23.801 -6.387 196 HE3 LYS 27 2HE LYS 27 13.315 23.583 -4.643 197 HZ1 LYS 27 3HZ LYS 27 15.933 24.033 -5.925 198 HZ2 LYS 27 1HZ LYS 27 15.074 25.158 -5.078 199 HZ3 LYS 27 2HZ LYS 27 15.681 23.832 -4.308 200 H LEU 28 HN LEU 28 12.964 17.145 -7.983 201 HA LEU 28 HA LEU 28 14.310 15.172 -6.376 202 HB2 LEU 28 1HB LEU 28 12.194 14.951 -7.375 203 HB3 LEU 28 2HB LEU 28 12.817 14.847 -9.038 204 HG LEU 28 HG LEU 28 14.100 12.804 -8.364 205 HD11 LEU 28 1HD1 LEU 28 13.415 11.653 -6.243 206 HD12 LEU 28 2HD1 LEU 28 14.146 13.240 -5.910 207 HD13 LEU 28 3HD1 LEU 28 12.379 13.042 -5.842 208 HD21 LEU 28 3HD2 LEU 28 11.991 12.609 -9.543 209 HD22 LEU 28 1HD2 LEU 28 12.151 11.286 -8.363 210 HD23 LEU 28 2HD2 LEU 28 11.093 12.673 -8.008 211 H GLN 29 HN GLN 29 14.955 16.511 -9.582 212 HA GLN 29 HA GLN 29 17.115 14.731 -10.237 213 HB2 GLN 29 1HB GLN 29 16.470 17.575 -11.022 214 HB3 GLN 29 2HB GLN 29 17.864 16.677 -11.667 215 HG2 GLN 29 1HG GLN 29 16.072 14.945 -12.702 216 HG3 GLN 29 2HG GLN 29 15.043 16.057 -11.769 217 HE21 GLN 29 2HE2 GLN 29 14.610 15.511 -14.475 218 HE22 GLN 29 1HE2 GLN 29 14.932 16.942 -15.397 219 H ASN 30 HN ASN 30 16.882 17.467 -8.100 220 HA ASN 30 HA ASN 30 19.860 17.551 -7.847 221 HB2 ASN 30 1HB ASN 30 17.857 19.666 -6.755 222 HB3 ASN 30 2HB ASN 30 19.602 19.340 -6.619 223 HD21 ASN 30 2HD2 ASN 30 17.063 20.609 -8.542 224 HD22 ASN 30 1HD2 ASN 30 18.030 21.161 -9.868 225 H THR 31 HN THR 31 17.722 15.592 -6.690 226 HA THR 31 HA THR 31 18.243 15.939 -3.796 227 HB THR 31 HB THR 31 16.739 13.768 -5.317 228 HG1 THR 31 HG1 THR 31 15.822 15.999 -3.777 229 HG21 THR 31 3HG2 THR 31 16.912 14.373 -2.338 230 HG22 THR 31 1HG2 THR 31 15.874 13.139 -3.090 231 HG23 THR 31 2HG2 THR 31 17.645 12.975 -3.159 232 H SER 32 HN SER 32 19.654 14.908 -2.599 233 HA SER 32 HA SER 32 21.971 13.652 -3.762 234 HB2 SER 32 1HB SER 32 22.101 14.810 -1.762 235 HB3 SER 32 2HB SER 32 20.988 13.669 -0.973 236 HG SER 32 HG SER 32 22.531 12.027 -1.411 237 H VAL 33 HN VAL 33 22.500 11.571 -4.128 238 HA VAL 33 HA VAL 33 20.396 9.510 -4.102 239 HB VAL 33 HB VAL 33 23.378 9.350 -4.712 240 HG11 VAL 33 1HG1 VAL 33 22.814 7.167 -5.726 241 HG12 VAL 33 2HG1 VAL 33 22.437 7.182 -3.987 242 HG13 VAL 33 3HG1 VAL 33 21.129 7.350 -5.184 243 HG21 VAL 33 3HG2 VAL 33 22.201 10.775 -6.279 244 HG22 VAL 33 1HG2 VAL 33 22.678 9.244 -7.051 245 HG23 VAL 33 2HG2 VAL 33 20.988 9.501 -6.555 246 H GLN 34 HN GLN 34 20.005 7.932 -2.779 247 HA GLN 34 HA GLN 34 21.084 8.140 -0.091 248 HB2 GLN 34 1HB GLN 34 19.366 6.031 -1.418 249 HB3 GLN 34 2HB GLN 34 19.729 6.115 0.322 250 HG2 GLN 34 1HG GLN 34 17.924 8.201 -1.187 251 HG3 GLN 34 2HG GLN 34 17.689 6.825 -0.084 252 HE21 GLN 34 2HE2 GLN 34 18.239 10.173 -0.363 253 HE22 GLN 34 1HE2 GLN 34 18.550 10.516 1.306 254 H LYS 35 HN LYS 35 22.218 6.614 1.110 255 HA LYS 35 HA LYS 35 24.604 5.815 -0.248 256 HB2 LYS 35 1HB LYS 35 24.467 6.398 2.136 257 HB3 LYS 35 2HB LYS 35 23.525 4.917 2.429 258 HG2 LYS 35 1HG LYS 35 25.425 3.537 1.774 259 HG3 LYS 35 2HG LYS 35 26.369 4.990 1.366 260 HD2 LYS 35 1HD LYS 35 26.305 5.718 3.699 261 HD3 LYS 35 2HD LYS 35 25.294 4.316 4.126 262 HE2 LYS 35 1HE LYS 35 27.097 2.795 3.484 263 HE3 LYS 35 2HE LYS 35 28.106 4.176 2.994 264 HZ1 LYS 35 3HZ LYS 35 27.144 3.641 5.731 265 HZ2 LYS 35 1HZ LYS 35 28.681 3.388 5.188 266 HZ3 LYS 35 2HZ LYS 35 28.079 4.922 5.277 267 H GLU 36 HN GLU 36 25.064 4.183 -1.472 268 HA GLU 36 HA GLU 36 24.972 2.080 -2.458 269 HB2 GLU 36 1HB GLU 36 23.910 1.326 0.270 270 HB3 GLU 36 2HB GLU 36 24.449 0.185 -0.986 271 HG2 GLU 36 1HG GLU 36 26.794 1.189 -0.799 272 HG3 GLU 36 2HG GLU 36 26.078 2.248 0.437 273 H HIS 37 HN HIS 37 22.776 3.830 -2.882 274 HA HIS 37 HA HIS 37 20.828 1.697 -3.663 275 HB2 HIS 37 1HB HIS 37 20.168 4.478 -2.595 276 HB3 HIS 37 2HB HIS 37 18.996 3.405 -3.396 277 HD1 HIS 37 HD1 HIS 37 18.696 1.012 -2.105 278 HD2 HIS 37 HD2 HIS 37 20.276 4.113 0.194 279 HE1 HIS 37 HE1 HIS 37 18.367 0.317 0.177 280 H SER 38 HN SER 38 19.469 2.292 -5.507 281 HA SER 38 HA SER 38 21.346 3.028 -7.671 282 HB2 SER 38 1HB SER 38 18.569 2.014 -7.709 283 HB3 SER 38 2HB SER 38 19.601 2.343 -9.119 284 HG SER 38 HG SER 38 19.694 0.158 -8.441 285 H ARG 39 HN ARG 39 21.275 4.798 -8.943 286 HA ARG 39 HA ARG 39 19.530 7.034 -8.065 287 HB2 ARG 39 1HB ARG 39 21.836 7.511 -8.248 288 HB3 ARG 39 2HB ARG 39 21.850 6.965 -9.941 289 HG2 ARG 39 1HG ARG 39 20.281 8.795 -10.515 290 HG3 ARG 39 2HG ARG 39 20.357 9.361 -8.828 291 HD2 ARG 39 1HD ARG 39 22.716 9.805 -9.080 292 HD3 ARG 39 2HD ARG 39 22.650 9.225 -10.761 293 HE ARG 39 HE ARG 39 20.856 11.509 -10.464 294 HH11 ARG 39 1HH1 ARG 39 24.262 10.769 -10.563 295 HH12 ARG 39 2HH1 ARG 39 24.594 12.359 -11.220 296 HH21 ARG 39 1HH2 ARG 39 21.221 13.337 -11.209 297 HH22 ARG 39 2HH2 ARG 39 22.862 13.825 -11.588 298 H ILE 40 HN ILE 40 17.821 7.753 -9.077 299 HA ILE 40 HA ILE 40 17.014 6.602 -11.672 300 HB ILE 40 HB ILE 40 15.818 8.849 -9.985 301 HG12 ILE 40 1HG1 ILE 40 14.901 6.009 -10.342 302 HG13 ILE 40 2HG1 ILE 40 15.815 6.624 -8.946 303 HG21 ILE 40 1HG2 ILE 40 13.835 8.576 -11.434 304 HG22 ILE 40 2HG2 ILE 40 15.258 9.063 -12.383 305 HG23 ILE 40 3HG2 ILE 40 14.710 7.371 -12.406 306 HD11 ILE 40 3HD1 ILE 40 13.061 7.562 -9.822 307 HD12 ILE 40 1HD1 ILE 40 13.407 6.493 -8.444 308 HD13 ILE 40 2HD1 ILE 40 13.976 8.179 -8.426 309 HA PRO 41 HA PRO 41 19.341 9.406 -14.134 310 HB2 PRO 41 1HB PRO 41 17.314 8.406 -16.172 311 HB3 PRO 41 2HB PRO 41 19.077 8.468 -16.308 312 HG2 PRO 41 1HG PRO 41 17.881 6.122 -15.890 313 HG3 PRO 41 2HG PRO 41 19.383 6.494 -15.033 314 HD2 PRO 41 1HD PRO 41 16.525 6.566 -13.982 315 HD3 PRO 41 2HD PRO 41 17.991 6.002 -13.171 316 H ARG 42 HN ARG 42 19.140 11.425 -14.720 317 HA ARG 42 HA ARG 42 16.796 12.870 -13.867 318 HB2 ARG 42 1HB ARG 42 19.200 13.680 -15.425 319 HB3 ARG 42 2HB ARG 42 17.851 14.779 -15.053 320 HG2 ARG 42 1HG ARG 42 18.221 14.422 -12.650 321 HG3 ARG 42 2HG ARG 42 19.569 13.320 -13.021 322 HD2 ARG 42 1HD ARG 42 20.898 15.048 -13.821 323 HD3 ARG 42 2HD ARG 42 19.524 16.174 -13.911 324 HE ARG 42 HE ARG 42 19.872 15.638 -11.130 325 HH11 ARG 42 1HH1 ARG 42 21.898 16.896 -13.674 326 HH12 ARG 42 2HH1 ARG 42 22.760 17.880 -12.509 327 HH21 ARG 42 1HH2 ARG 42 20.856 16.753 -9.782 328 HH22 ARG 42 2HH2 ARG 42 22.168 17.799 -10.289 329 H SER 43 HN SER 43 17.839 11.596 -16.973 330 HA SER 43 HA SER 43 15.915 12.917 -18.682 331 HB2 SER 43 1HB SER 43 16.336 11.289 -20.232 332 HB3 SER 43 2HB SER 43 17.856 11.805 -19.467 333 HG SER 43 HG SER 43 17.690 9.526 -19.722 334 H GLN 44 HN GLN 44 15.742 10.157 -16.466 335 HA GLN 44 HA GLN 44 13.054 9.387 -17.393 336 HB2 GLN 44 1HB GLN 44 14.720 8.550 -15.010 337 HB3 GLN 44 2HB GLN 44 13.137 7.862 -15.442 338 HG2 GLN 44 1HG GLN 44 15.764 7.413 -17.104 339 HG3 GLN 44 2HG GLN 44 14.709 6.474 -16.023 340 HE21 GLN 44 2HE2 GLN 44 15.440 7.164 -19.200 341 HE22 GLN 44 1HE2 GLN 44 13.956 6.669 -19.946 342 H ILE 45 HN ILE 45 14.493 11.154 -14.686 343 HA ILE 45 HA ILE 45 12.078 11.491 -13.164 344 HB ILE 45 HB ILE 45 14.570 13.231 -13.426 345 HG12 ILE 45 1HG1 ILE 45 13.682 11.437 -11.185 346 HG13 ILE 45 2HG1 ILE 45 14.795 10.951 -12.485 347 HG21 ILE 45 1HG2 ILE 45 13.774 14.376 -11.386 348 HG22 ILE 45 2HG2 ILE 45 12.632 14.599 -12.731 349 HG23 ILE 45 3HG2 ILE 45 12.269 13.430 -11.441 350 HD11 ILE 45 3HD1 ILE 45 15.259 13.202 -10.497 351 HD12 ILE 45 1HD1 ILE 45 16.029 11.600 -10.454 352 HD13 ILE 45 2HD1 ILE 45 16.371 12.716 -11.797 353 H GLN 46 HN GLN 46 13.460 13.457 -15.774 354 HA GLN 46 HA GLN 46 11.497 15.530 -15.634 355 HB2 GLN 46 1HB GLN 46 13.623 15.667 -16.877 356 HB3 GLN 46 2HB GLN 46 13.004 14.462 -18.031 357 HG2 GLN 46 1HG GLN 46 11.131 16.303 -18.688 358 HG3 GLN 46 2HG GLN 46 12.020 17.098 -17.368 359 HE21 GLN 46 2HE2 GLN 46 11.672 18.318 -19.837 360 HE22 GLN 46 1HE2 GLN 46 13.200 18.417 -20.648 361 H ARG 47 HN ARG 47 11.430 12.346 -17.115 362 HA ARG 47 HA ARG 47 8.916 13.068 -18.557 363 HB2 ARG 47 1HB ARG 47 10.748 10.735 -18.884 364 HB3 ARG 47 2HB ARG 47 9.206 10.975 -19.738 365 HG2 ARG 47 1HG ARG 47 10.082 13.021 -20.766 366 HG3 ARG 47 2HG ARG 47 11.620 12.807 -19.895 367 HD2 ARG 47 1HD ARG 47 11.996 10.733 -21.099 368 HD3 ARG 47 2HD ARG 47 10.475 10.986 -21.988 369 HE ARG 47 HE ARG 47 12.120 13.252 -22.593 370 HH11 ARG 47 1HH1 ARG 47 12.373 9.796 -22.988 371 HH12 ARG 47 2HH1 ARG 47 13.340 10.026 -24.432 372 HH21 ARG 47 1HH2 ARG 47 13.232 13.531 -24.240 373 HH22 ARG 47 2HH2 ARG 47 13.831 12.156 -25.146 374 H ALA 48 HN ALA 48 9.917 11.663 -15.683 375 HA ALA 48 HA ALA 48 8.016 9.488 -15.552 376 HB1 ALA 48 3HB ALA 48 9.460 10.984 -13.337 377 HB2 ALA 48 1HB ALA 48 8.580 9.450 -13.153 378 HB3 ALA 48 2HB ALA 48 10.041 9.521 -14.167 379 H ARG 49 HN ARG 49 6.008 9.355 -14.755 380 HA ARG 49 HA ARG 49 4.522 11.870 -14.395 381 HB2 ARG 49 1HB ARG 49 3.649 9.018 -14.304 382 HB3 ARG 49 2HB ARG 49 2.593 10.428 -14.057 383 HG2 ARG 49 1HG ARG 49 3.152 11.221 -16.330 384 HG3 ARG 49 2HG ARG 49 4.157 9.772 -16.573 385 HD2 ARG 49 1HD ARG 49 1.205 9.762 -16.032 386 HD3 ARG 49 2HD ARG 49 1.961 9.655 -17.639 387 HE ARG 49 HE ARG 49 2.928 7.417 -16.089 388 HH11 ARG 49 1HH1 ARG 49 -0.112 8.556 -17.362 389 HH12 ARG 49 2HH1 ARG 49 -0.675 6.903 -17.513 390 HH21 ARG 49 1HH2 ARG 49 2.294 5.519 -16.248 391 HH22 ARG 49 2HH2 ARG 49 0.696 5.170 -16.877 392 HA PRO 50 HA PRO 50 4.490 12.265 -10.031 393 HB2 PRO 50 1HB PRO 50 1.460 12.369 -10.268 394 HB3 PRO 50 2HB PRO 50 2.548 13.538 -9.507 395 HG2 PRO 50 1HG PRO 50 1.451 14.116 -11.868 396 HG3 PRO 50 2HG PRO 50 3.144 14.535 -11.571 397 HD2 PRO 50 1HD PRO 50 2.014 12.205 -13.176 398 HD3 PRO 50 2HD PRO 50 3.407 13.230 -13.541 399 H VAL 51 HN VAL 51 2.235 10.004 -11.545 400 HA VAL 51 HA VAL 51 2.072 8.424 -9.019 401 HB VAL 51 HB VAL 51 0.505 7.015 -10.255 402 HG11 VAL 51 1HG1 VAL 51 -1.263 8.677 -10.727 403 HG12 VAL 51 2HG1 VAL 51 -0.384 9.084 -9.235 404 HG13 VAL 51 3HG1 VAL 51 -0.043 9.972 -10.740 405 HG21 VAL 51 3HG2 VAL 51 1.593 7.042 -12.419 406 HG22 VAL 51 1HG2 VAL 51 -0.120 7.497 -12.567 407 HG23 VAL 51 2HG2 VAL 51 1.142 8.749 -12.646 408 H LYS 52 HN LYS 52 4.013 8.586 -11.807 409 HA LYS 52 HA LYS 52 4.737 5.731 -11.753 410 HB2 LYS 52 1HB LYS 52 4.712 7.079 -13.830 411 HB3 LYS 52 2HB LYS 52 6.032 8.069 -13.164 412 HG2 LYS 52 1HG LYS 52 7.538 6.185 -13.175 413 HG3 LYS 52 2HG LYS 52 6.221 5.076 -13.626 414 HD2 LYS 52 1HD LYS 52 5.958 6.265 -15.770 415 HD3 LYS 52 2HD LYS 52 7.284 7.363 -15.320 416 HE2 LYS 52 1HE LYS 52 8.851 5.506 -15.256 417 HE3 LYS 52 2HE LYS 52 7.538 4.352 -15.583 418 HZ1 LYS 52 3HZ LYS 52 8.452 6.474 -17.418 419 HZ2 LYS 52 1HZ LYS 52 8.787 4.866 -17.569 420 HZ3 LYS 52 2HZ LYS 52 7.234 5.403 -17.722 421 H MET 53 HN MET 53 6.023 8.786 -10.548 422 HA MET 53 HA MET 53 8.623 7.792 -9.830 423 HB2 MET 53 1HB MET 53 6.916 10.055 -8.813 424 HB3 MET 53 2HB MET 53 8.553 9.719 -8.200 425 HG2 MET 53 1HG MET 53 9.458 10.034 -10.469 426 HG3 MET 53 2HG MET 53 7.820 10.392 -11.067 427 HE1 MET 53 3HE MET 53 8.925 12.649 -12.123 428 HE2 MET 53 1HE MET 53 9.768 13.870 -11.140 429 HE3 MET 53 2HE MET 53 10.496 12.262 -11.379 430 H ALA 54 HN ALA 54 5.495 7.584 -8.275 431 HA ALA 54 HA ALA 54 6.315 6.816 -5.682 432 HB1 ALA 54 3HB ALA 54 3.963 5.797 -7.310 433 HB2 ALA 54 1HB ALA 54 4.158 5.632 -5.550 434 HB3 ALA 54 2HB ALA 54 3.974 7.246 -6.278 435 H THR 55 HN THR 55 6.001 4.873 -8.640 436 HA THR 55 HA THR 55 6.854 2.418 -7.286 437 HB THR 55 HB THR 55 6.638 3.087 -10.252 438 HG1 THR 55 HG1 THR 55 4.683 1.844 -10.033 439 HG21 THR 55 3HG2 THR 55 6.933 0.419 -8.816 440 HG22 THR 55 1HG2 THR 55 6.685 0.637 -10.564 441 HG23 THR 55 2HG2 THR 55 8.185 1.214 -9.799 442 H LEU 56 HN LEU 56 8.377 4.882 -9.329 443 HA LEU 56 HA LEU 56 10.791 3.430 -9.818 444 HB2 LEU 56 1HB LEU 56 10.099 6.283 -9.643 445 HB3 LEU 56 2HB LEU 56 11.722 5.836 -10.219 446 HG LEU 56 HG LEU 56 9.084 5.098 -11.546 447 HD11 LEU 56 1HD1 LEU 56 9.852 6.647 -13.364 448 HD12 LEU 56 2HD1 LEU 56 9.673 7.506 -11.817 449 HD13 LEU 56 3HD1 LEU 56 11.291 7.045 -12.397 450 HD21 LEU 56 3HD2 LEU 56 10.765 3.376 -11.846 451 HD22 LEU 56 1HD2 LEU 56 10.495 4.236 -13.381 452 HD23 LEU 56 2HD2 LEU 56 11.945 4.585 -12.407 453 H LEU 57 HN LEU 57 9.990 5.816 -7.294 454 HA LEU 57 HA LEU 57 12.623 5.868 -6.159 455 HB2 LEU 57 1HB LEU 57 9.917 6.376 -5.123 456 HB3 LEU 57 2HB LEU 57 11.313 6.775 -4.096 457 HG LEU 57 HG LEU 57 10.696 7.994 -6.815 458 HD11 LEU 57 1HD1 LEU 57 10.238 10.084 -5.504 459 HD12 LEU 57 2HD1 LEU 57 9.134 8.771 -5.034 460 HD13 LEU 57 3HD1 LEU 57 10.520 9.182 -3.997 461 HD21 LEU 57 3HD2 LEU 57 13.079 7.852 -6.389 462 HD22 LEU 57 1HD2 LEU 57 12.545 9.547 -6.291 463 HD23 LEU 57 2HD2 LEU 57 12.871 8.628 -4.801 464 H VAL 58 HN VAL 58 9.829 3.795 -5.576 465 HA VAL 58 HA VAL 58 10.978 2.447 -3.254 466 HB VAL 58 HB VAL 58 8.805 1.629 -5.227 467 HG11 VAL 58 1HG1 VAL 58 8.239 -0.116 -3.570 468 HG12 VAL 58 2HG1 VAL 58 9.883 -0.350 -4.210 469 HG13 VAL 58 3HG1 VAL 58 9.648 0.355 -2.592 470 HG21 VAL 58 3HG2 VAL 58 8.222 3.569 -3.899 471 HG22 VAL 58 1HG2 VAL 58 7.279 2.149 -3.391 472 HG23 VAL 58 2HG2 VAL 58 8.655 2.701 -2.406 473 H THR 59 HN THR 59 10.997 1.789 -6.735 474 HA THR 59 HA THR 59 12.340 -0.763 -6.445 475 HB THR 59 HB THR 59 12.172 1.132 -8.826 476 HG1 THR 59 HG1 THR 59 10.545 -0.400 -9.472 477 HG21 THR 59 3HG2 THR 59 12.989 -1.796 -8.665 478 HG22 THR 59 1HG2 THR 59 12.796 -0.851 -10.160 479 HG23 THR 59 2HG2 THR 59 14.079 -0.430 -8.999 480 H TYR 60 HN TYR 60 13.475 2.555 -7.013 481 HA TYR 60 HA TYR 60 16.206 1.604 -7.549 482 HB2 TYR 60 1HB TYR 60 14.792 4.244 -7.493 483 HB3 TYR 60 2HB TYR 60 16.570 4.192 -7.401 484 HD1 TYR 60 HD1 TYR 60 13.643 3.309 -9.511 485 HD2 TYR 60 HD2 TYR 60 17.884 3.718 -9.340 486 HE1 TYR 60 HE1 TYR 60 13.757 3.074 -11.974 487 HE2 TYR 60 HE2 TYR 60 18.016 3.485 -11.797 488 HH TYR 60 HH TYR 60 16.857 3.186 -13.735 489 H TYR 61 HN TYR 61 14.451 3.097 -4.872 490 HA TYR 61 HA TYR 61 17.034 3.197 -3.343 491 HB2 TYR 61 1HB TYR 61 14.598 4.966 -3.058 492 HB3 TYR 61 2HB TYR 61 16.112 5.075 -2.127 493 HD1 TYR 61 HD2 TYR 61 18.188 5.865 -3.232 494 HD2 TYR 61 HD1 TYR 61 14.445 5.888 -5.276 495 HE1 TYR 61 HE2 TYR 61 19.136 7.391 -4.930 496 HE2 TYR 61 HE1 TYR 61 15.379 7.417 -6.986 497 HH TYR 61 HH TYR 61 18.619 8.805 -6.702 498 H GLY 62 HN GLY 62 13.505 2.790 -3.037 499 HA2 GLY 62 1HA GLY 62 13.110 0.525 -1.821 500 HA3 GLY 62 2HA GLY 62 13.993 1.313 -0.493 501 H GLU 63 HN GLU 63 11.512 0.414 0.047 502 HA GLU 63 HA GLU 63 9.375 2.261 -0.534 503 HB2 GLU 63 1HB GLU 63 9.783 0.200 1.633 504 HB3 GLU 63 2HB GLU 63 8.291 1.153 1.444 505 HG2 GLU 63 1HG GLU 63 7.943 0.118 -0.836 506 HG3 GLU 63 2HG GLU 63 9.513 -0.677 -0.579 507 H GLU 64 HN GLU 64 11.401 1.835 2.378 508 HA GLU 64 HA GLU 64 10.217 4.080 3.762 509 HB2 GLU 64 1HB GLU 64 12.833 2.610 4.091 510 HB3 GLU 64 2HB GLU 64 12.281 3.912 5.172 511 HG2 GLU 64 1HG GLU 64 10.293 2.496 5.827 512 HG3 GLU 64 2HG GLU 64 10.878 1.331 4.617 513 H TYR 65 HN TYR 65 12.897 3.751 1.514 514 HA TYR 65 HA TYR 65 13.895 6.460 2.017 515 HB2 TYR 65 1HB TYR 65 14.420 4.458 -0.189 516 HB3 TYR 65 2HB TYR 65 15.249 6.025 -0.013 517 HD1 TYR 65 HD2 TYR 65 16.737 6.411 1.957 518 HD2 TYR 65 HD1 TYR 65 15.067 2.575 1.138 519 HE1 TYR 65 HE2 TYR 65 18.397 5.378 3.470 520 HE2 TYR 65 HE1 TYR 65 16.722 1.522 2.650 521 HH TYR 65 HH TYR 65 19.144 3.448 4.423 522 H ALA 66 HN ALA 66 11.635 4.938 -0.196 523 HA ALA 66 HA ALA 66 11.420 7.147 -2.014 524 HB1 ALA 66 3HB ALA 66 9.377 5.025 -1.269 525 HB2 ALA 66 1HB ALA 66 9.286 6.107 -2.678 526 HB3 ALA 66 2HB ALA 66 10.592 4.903 -2.563 527 H VAL 67 HN VAL 67 9.733 6.337 1.001 528 HA VAL 67 HA VAL 67 7.882 8.574 0.918 529 HB VAL 67 HB VAL 67 8.999 6.946 3.238 530 HG11 VAL 67 1HG1 VAL 67 7.153 7.931 4.555 531 HG12 VAL 67 2HG1 VAL 67 8.274 9.189 3.984 532 HG13 VAL 67 3HG1 VAL 67 6.710 8.954 3.168 533 HG21 VAL 67 3HG2 VAL 67 7.665 5.639 1.696 534 HG22 VAL 67 1HG2 VAL 67 6.801 5.879 3.232 535 HG23 VAL 67 2HG2 VAL 67 6.345 6.829 1.798 536 H GLN 68 HN GLN 68 11.099 8.178 2.374 537 HA GLN 68 HA GLN 68 11.112 10.815 3.546 538 HB2 GLN 68 1HB GLN 68 13.304 8.889 2.763 539 HB3 GLN 68 2HB GLN 68 13.605 10.446 3.572 540 HG2 GLN 68 1HG GLN 68 12.166 9.478 5.637 541 HG3 GLN 68 2HG GLN 68 12.005 8.191 4.418 542 HE21 GLN 68 2HE2 GLN 68 12.956 7.841 7.084 543 HE22 GLN 68 1HE2 GLN 68 14.609 7.330 6.994 544 H LEU 69 HN LEU 69 12.297 9.532 0.456 545 HA LEU 69 HA LEU 69 13.599 11.944 -0.385 546 HB2 LEU 69 1HB LEU 69 12.356 9.648 -1.726 547 HB3 LEU 69 2HB LEU 69 13.151 10.866 -2.750 548 HG LEU 69 HG LEU 69 14.517 9.252 -0.563 549 HD11 LEU 69 1HD1 LEU 69 15.637 8.046 -2.456 550 HD12 LEU 69 2HD1 LEU 69 13.873 7.823 -2.502 551 HD13 LEU 69 3HD1 LEU 69 14.654 8.976 -3.610 552 HD21 LEU 69 3HD2 LEU 69 15.525 11.429 -0.915 553 HD22 LEU 69 1HD2 LEU 69 16.602 10.154 -1.533 554 HD23 LEU 69 2HD2 LEU 69 15.632 11.128 -2.666 555 H THR 70 HN THR 70 10.325 10.703 -1.073 556 HA THR 70 HA THR 70 9.535 12.967 -2.658 557 HB THR 70 HB THR 70 7.845 11.027 -1.024 558 HG1 THR 70 HG1 THR 70 8.530 11.100 -3.801 559 HG21 THR 70 3HG2 THR 70 7.068 12.957 -3.247 560 HG22 THR 70 1HG2 THR 70 5.991 11.766 -2.479 561 HG23 THR 70 2HG2 THR 70 6.638 13.124 -1.528 562 H LEU 71 HN LEU 71 9.172 12.252 0.807 563 HA LEU 71 HA LEU 71 7.605 14.516 1.489 564 HB2 LEU 71 1HB LEU 71 8.151 12.590 2.803 565 HB3 LEU 71 2HB LEU 71 9.774 13.194 3.209 566 HG LEU 71 HG LEU 71 7.224 14.728 3.808 567 HD11 LEU 71 1HD1 LEU 71 7.478 13.923 6.170 568 HD12 LEU 71 2HD1 LEU 71 7.202 12.567 5.052 569 HD13 LEU 71 3HD1 LEU 71 8.841 12.900 5.659 570 HD21 LEU 71 3HD2 LEU 71 9.243 16.066 3.695 571 HD22 LEU 71 1HD2 LEU 71 8.676 15.964 5.379 572 HD23 LEU 71 2HD2 LEU 71 10.061 14.981 4.845 573 H GLN 72 HN GLN 72 11.153 14.190 1.356 574 HA GLN 72 HA GLN 72 11.642 16.872 2.295 575 HB2 GLN 72 1HB GLN 72 13.295 14.886 0.731 576 HB3 GLN 72 2HB GLN 72 13.905 16.480 1.237 577 HG2 GLN 72 1HG GLN 72 13.544 15.657 3.772 578 HG3 GLN 72 2HG GLN 72 12.846 14.316 2.835 579 HE21 GLN 72 2HE2 GLN 72 14.879 14.065 4.813 580 HE22 GLN 72 1HE2 GLN 72 16.316 13.496 4.030 581 H VAL 73 HN VAL 73 11.327 15.463 -0.940 582 HA VAL 73 HA VAL 73 12.028 17.916 -2.352 583 HB VAL 73 HB VAL 73 10.454 15.453 -3.211 584 HG11 VAL 73 1HG1 VAL 73 10.799 16.291 -5.512 585 HG12 VAL 73 2HG1 VAL 73 9.835 17.437 -4.550 586 HG13 VAL 73 3HG1 VAL 73 11.557 17.763 -4.862 587 HG21 VAL 73 3HG2 VAL 73 12.765 14.968 -2.669 588 HG22 VAL 73 1HG2 VAL 73 12.491 14.864 -4.424 589 HG23 VAL 73 2HG2 VAL 73 13.311 16.286 -3.735 590 H LEU 74 HN LEU 74 8.992 16.557 -1.165 591 HA LEU 74 HA LEU 74 7.286 18.560 -2.297 592 HB2 LEU 74 1HB LEU 74 7.265 16.893 0.116 593 HB3 LEU 74 2HB LEU 74 5.857 17.945 -0.159 594 HG LEU 74 HG LEU 74 6.822 15.743 -2.025 595 HD11 LEU 74 1HD1 LEU 74 4.724 14.558 -1.324 596 HD12 LEU 74 2HD1 LEU 74 5.799 14.847 0.065 597 HD13 LEU 74 3HD1 LEU 74 4.374 15.882 -0.189 598 HD21 LEU 74 3HD2 LEU 74 5.782 17.578 -3.219 599 HD22 LEU 74 1HD2 LEU 74 4.711 16.156 -3.240 600 HD23 LEU 74 2HD2 LEU 74 4.366 17.515 -2.142 601 H ARG 75 HN ARG 75 9.055 18.463 0.790 602 HA ARG 75 HA ARG 75 8.159 21.049 1.687 603 HB2 ARG 75 1HB ARG 75 10.561 19.430 2.386 604 HB3 ARG 75 2HB ARG 75 10.169 21.008 3.107 605 HG2 ARG 75 1HG ARG 75 8.093 20.127 4.005 606 HG3 ARG 75 2HG ARG 75 8.370 18.567 3.193 607 HD2 ARG 75 1HD ARG 75 8.852 18.372 5.509 608 HD3 ARG 75 2HD ARG 75 10.359 18.244 4.571 609 HE ARG 75 HE ARG 75 10.045 20.958 5.661 610 HH11 ARG 75 1HH1 ARG 75 10.955 17.717 6.568 611 HH12 ARG 75 2HH1 ARG 75 11.988 18.354 7.832 612 HH21 ARG 75 1HH2 ARG 75 11.217 21.703 7.109 613 HH22 ARG 75 2HH2 ARG 75 12.137 20.628 8.143 614 H ALA 76 HN ALA 76 10.698 20.022 -0.503 615 HA ALA 76 HA ALA 76 12.103 22.531 -0.547 616 HB1 ALA 76 3HB ALA 76 11.908 20.357 -2.660 617 HB2 ALA 76 1HB ALA 76 13.094 21.682 -2.638 618 HB3 ALA 76 2HB ALA 76 13.116 20.448 -1.356 619 H ILE 77 HN ILE 77 9.135 21.454 -1.961 620 HA ILE 77 HA ILE 77 9.056 23.924 -3.679 621 HB ILE 77 HB ILE 77 7.331 22.738 -5.006 622 HG12 ILE 77 1HG1 ILE 77 7.961 20.311 -3.353 623 HG13 ILE 77 2HG1 ILE 77 6.560 21.372 -3.075 624 HG21 ILE 77 1HG2 ILE 77 8.790 21.046 -6.064 625 HG22 ILE 77 2HG2 ILE 77 9.696 22.532 -5.695 626 HG23 ILE 77 3HG2 ILE 77 9.875 21.099 -4.655 627 HD11 ILE 77 3HD1 ILE 77 7.135 19.816 -5.621 628 HD12 ILE 77 1HD1 ILE 77 5.925 19.388 -4.390 629 HD13 ILE 77 2HD1 ILE 77 5.736 20.878 -5.344 630 H ASN 78 HN ASN 78 8.357 23.373 -0.740 631 HA ASN 78 HA ASN 78 6.900 24.494 0.684 632 HB2 ASN 78 1HB ASN 78 5.886 26.073 -1.798 633 HB3 ASN 78 2HB ASN 78 5.587 26.080 -0.042 634 HD21 ASN 78 2HD2 ASN 78 6.822 28.004 -2.037 635 HD22 ASN 78 1HD2 ASN 78 8.314 28.478 -1.294 636 H GLN 79 HN GLN 79 6.203 21.935 -0.577 637 HA GLN 79 HA GLN 79 3.243 22.126 -0.157 638 HB2 GLN 79 1HB GLN 79 4.962 19.922 -1.317 639 HB3 GLN 79 2HB GLN 79 3.208 19.816 -1.039 640 HG2 GLN 79 1HG GLN 79 4.506 21.702 -3.195 641 HG3 GLN 79 2HG GLN 79 3.686 20.123 -3.180 642 HE21 GLN 79 2HE2 GLN 79 3.275 23.365 -3.709 643 HE22 GLN 79 1HE2 GLN 79 1.570 23.494 -3.431 644 H ARG 80 HN ARG 80 3.833 22.538 2.126 645 HA ARG 80 HA ARG 80 5.017 20.350 3.652 646 HB2 ARG 80 1HB ARG 80 3.630 22.853 4.486 647 HB3 ARG 80 2HB ARG 80 4.267 21.629 5.609 648 HG2 ARG 80 1HG ARG 80 6.525 21.982 4.750 649 HG3 ARG 80 2HG ARG 80 5.907 23.159 3.566 650 HD2 ARG 80 1HD ARG 80 5.223 24.611 5.382 651 HD3 ARG 80 2HD ARG 80 5.865 23.437 6.554 652 HE ARG 80 HE ARG 80 8.097 24.213 4.944 653 HH11 ARG 80 1HH1 ARG 80 5.812 25.865 6.994 654 HH12 ARG 80 2HH1 ARG 80 7.029 27.061 7.397 655 HH21 ARG 80 1HH2 ARG 80 9.499 25.579 5.388 656 HH22 ARG 80 2HH2 ARG 80 9.132 26.899 6.481 657 H LEU 81 HN LEU 81 1.790 21.264 2.688 658 HA LEU 81 HA LEU 81 0.345 19.649 4.567 659 HB2 LEU 81 1HB LEU 81 -0.669 21.268 3.335 660 HB3 LEU 81 2HB LEU 81 -0.318 20.590 1.728 661 HG LEU 81 HG LEU 81 -1.720 18.594 2.354 662 HD11 LEU 81 1HD1 LEU 81 -3.320 18.884 4.264 663 HD12 LEU 81 2HD1 LEU 81 -1.633 18.903 4.826 664 HD13 LEU 81 3HD1 LEU 81 -2.536 20.429 4.667 665 HD21 LEU 81 3HD2 LEU 81 -2.593 20.345 0.922 666 HD22 LEU 81 1HD2 LEU 81 -3.882 19.731 1.985 667 HD23 LEU 81 2HD2 LEU 81 -3.102 21.292 2.340 668 H LEU 82 HN LEU 82 1.409 18.906 1.235 669 HA LEU 82 HA LEU 82 0.539 16.159 1.370 670 HB2 LEU 82 1HB LEU 82 2.497 17.654 -0.237 671 HB3 LEU 82 2HB LEU 82 2.175 15.955 -0.656 672 HG LEU 82 HG LEU 82 0.162 18.237 -0.706 673 HD11 LEU 82 1HD1 LEU 82 0.181 17.856 -3.186 674 HD12 LEU 82 2HD1 LEU 82 1.794 18.313 -2.590 675 HD13 LEU 82 3HD1 LEU 82 1.433 16.611 -2.969 676 HD21 LEU 82 3HD2 LEU 82 -0.878 16.146 -0.058 677 HD22 LEU 82 1HD2 LEU 82 -1.378 16.586 -1.708 678 HD23 LEU 82 2HD2 LEU 82 -0.153 15.318 -1.456 679 H ALA 83 HN ALA 83 3.568 17.780 2.166 680 HA ALA 83 HA ALA 83 5.103 15.392 2.559 681 HB1 ALA 83 3HB ALA 83 5.379 18.122 3.860 682 HB2 ALA 83 1HB ALA 83 6.607 16.835 3.873 683 HB3 ALA 83 2HB ALA 83 6.140 17.604 2.338 684 H GLU 84 HN GLU 84 3.097 17.336 4.762 685 HA GLU 84 HA GLU 84 3.593 15.695 7.087 686 HB2 GLU 84 1HB GLU 84 2.717 17.958 7.234 687 HB3 GLU 84 2HB GLU 84 1.254 17.462 6.349 688 HG2 GLU 84 1HG GLU 84 0.702 15.893 8.308 689 HG3 GLU 84 2HG GLU 84 2.180 16.557 9.042 690 H GLU 85 HN GLU 85 1.063 15.645 4.588 691 HA GLU 85 HA GLU 85 -0.460 13.527 5.815 692 HB2 GLU 85 1HB GLU 85 -0.246 14.546 2.983 693 HB3 GLU 85 2HB GLU 85 -1.352 13.241 3.476 694 HG2 GLU 85 1HG GLU 85 -1.458 16.153 4.470 695 HG3 GLU 85 2HG GLU 85 -2.505 15.294 3.317 696 H LEU 86 HN LEU 86 2.251 13.548 3.551 697 HA LEU 86 HA LEU 86 2.243 10.698 3.083 698 HB2 LEU 86 1HB LEU 86 3.304 12.190 1.696 699 HB3 LEU 86 2HB LEU 86 4.471 12.796 2.893 700 HG LEU 86 HG LEU 86 5.439 10.498 3.041 701 HD11 LEU 86 1HD1 LEU 86 4.863 8.867 1.223 702 HD12 LEU 86 2HD1 LEU 86 3.443 9.246 2.226 703 HD13 LEU 86 3HD1 LEU 86 3.627 9.997 0.622 704 HD21 LEU 86 3HD2 LEU 86 6.489 12.185 1.651 705 HD22 LEU 86 1HD2 LEU 86 6.640 10.586 0.883 706 HD23 LEU 86 2HD2 LEU 86 5.437 11.754 0.282 707 H HIS 87 HN HIS 87 3.955 12.750 5.440 708 HA HIS 87 HA HIS 87 5.253 10.629 6.841 709 HB2 HIS 87 1HB HIS 87 5.800 13.004 7.249 710 HB3 HIS 87 2HB HIS 87 4.172 13.273 7.915 711 HD1 HIS 87 HD1 HIS 87 7.305 11.233 8.640 712 HD2 HIS 87 HD2 HIS 87 4.042 12.918 10.707 713 HE1 HIS 87 HE1 HIS 87 7.708 10.793 11.009 714 H ARG 88 HN ARG 88 2.013 12.038 7.254 715 HA ARG 88 HA ARG 88 1.293 10.374 9.495 716 HB2 ARG 88 1HB ARG 88 -0.376 11.834 7.502 717 HB3 ARG 88 2HB ARG 88 -1.020 10.909 8.878 718 HG2 ARG 88 1HG ARG 88 0.182 12.367 10.437 719 HG3 ARG 88 2HG ARG 88 0.862 13.282 9.069 720 HD2 ARG 88 1HD ARG 88 -1.419 13.920 8.430 721 HD3 ARG 88 2HD ARG 88 -2.016 13.108 9.897 722 HE ARG 88 HE ARG 88 -0.713 15.777 9.889 723 HH11 ARG 88 1HH1 ARG 88 -1.607 13.021 11.830 724 HH12 ARG 88 2HH1 ARG 88 -1.488 13.997 13.281 725 HH21 ARG 88 1HH2 ARG 88 -0.581 16.909 11.540 726 HH22 ARG 88 2HH2 ARG 88 -0.904 16.215 13.117 727 H ALA 89 HN ALA 89 1.072 9.934 5.995 728 HA ALA 89 HA ALA 89 -0.379 7.462 6.101 729 HB1 ALA 89 3HB ALA 89 1.617 8.468 4.044 730 HB2 ALA 89 1HB ALA 89 0.492 7.108 3.823 731 HB3 ALA 89 2HB ALA 89 -0.138 8.759 4.033 732 H ALA 90 HN ALA 90 3.083 8.231 6.235 733 HA ALA 90 HA ALA 90 3.981 5.507 6.264 734 HB1 ALA 90 3HB ALA 90 5.259 7.996 7.446 735 HB2 ALA 90 1HB ALA 90 6.072 6.437 7.179 736 HB3 ALA 90 2HB ALA 90 5.487 7.385 5.791 737 H ILE 91 HN ILE 91 2.872 7.704 8.796 738 HA ILE 91 HA ILE 91 3.479 5.950 11.022 739 HB ILE 91 HB ILE 91 1.390 8.141 10.642 740 HG12 ILE 91 1HG1 ILE 91 3.905 8.128 12.285 741 HG13 ILE 91 2HG1 ILE 91 3.795 8.749 10.621 742 HG21 ILE 91 1HG2 ILE 91 1.079 8.031 13.092 743 HG22 ILE 91 2HG2 ILE 91 0.618 6.497 12.318 744 HG23 ILE 91 3HG2 ILE 91 2.175 6.631 13.169 745 HD11 ILE 91 3HD1 ILE 91 2.231 9.783 13.012 746 HD12 ILE 91 1HD1 ILE 91 3.636 10.577 12.265 747 HD13 ILE 91 2HD1 ILE 91 2.120 10.403 11.349 748 H GLN 92 HN GLN 92 0.616 6.287 8.956 749 HA GLN 92 HA GLN 92 -0.914 4.286 10.350 750 HB2 GLN 92 1HB GLN 92 -0.981 5.322 7.512 751 HB3 GLN 92 2HB GLN 92 -2.144 4.140 8.158 752 HG2 GLN 92 1HG GLN 92 -2.906 6.056 9.890 753 HG3 GLN 92 2HG GLN 92 -1.526 6.815 9.063 754 HE21 GLN 92 2HE2 GLN 92 -4.110 7.957 9.260 755 HE22 GLN 92 1HE2 GLN 92 -4.781 8.055 7.666 756 H LEU 93 HN LEU 93 1.434 4.119 7.716 757 HA LEU 93 HA LEU 93 1.073 1.316 7.167 758 HB2 LEU 93 1HB LEU 93 3.273 3.246 6.926 759 HB3 LEU 93 2HB LEU 93 3.552 1.596 6.324 760 HG LEU 93 HG LEU 93 1.409 3.511 5.324 761 HD11 LEU 93 1HD1 LEU 93 2.797 3.603 3.237 762 HD12 LEU 93 2HD1 LEU 93 3.703 4.209 4.643 763 HD13 LEU 93 3HD1 LEU 93 4.016 2.571 4.021 764 HD21 LEU 93 3HD2 LEU 93 0.727 1.190 5.167 765 HD22 LEU 93 1HD2 LEU 93 1.062 1.836 3.542 766 HD23 LEU 93 2HD2 LEU 93 2.246 0.770 4.339 Start of MODEL 2 1 H THR 4 1H THR 4 -0.082 1.450 1.722 2 HA THR 4 HA THR 4 2.478 2.152 2.783 3 HB THR 4 HB THR 4 3.437 1.062 0.856 4 HG1 THR 4 HG1 THR 4 0.839 1.333 -0.312 5 HG21 THR 4 3HG2 THR 4 0.789 -0.269 1.555 6 HG22 THR 4 1HG2 THR 4 2.194 -1.072 0.816 7 HG23 THR 4 2HG2 THR 4 2.306 -0.427 2.471 8 HA PRO 5 HA PRO 5 3.704 5.979 1.119 9 HB2 PRO 5 1HB PRO 5 6.053 4.536 -0.179 10 HB3 PRO 5 2HB PRO 5 6.078 5.946 0.889 11 HG2 PRO 5 1HG PRO 5 6.805 3.574 1.854 12 HG3 PRO 5 2HG PRO 5 5.801 4.637 2.848 13 HD2 PRO 5 1HD PRO 5 4.971 2.179 1.257 14 HD3 PRO 5 2HD PRO 5 4.419 2.705 2.851 15 H SER 6 HN SER 6 3.603 3.206 -1.031 16 HA SER 6 HA SER 6 3.723 4.744 -3.529 17 HB2 SER 6 1HB SER 6 3.304 2.806 -4.616 18 HB3 SER 6 2HB SER 6 4.447 2.467 -3.296 19 HG SER 6 HG SER 6 2.550 1.751 -2.096 20 H ASP 7 HN ASP 7 1.279 4.046 -1.155 21 HA ASP 7 HA ASP 7 -0.915 4.672 -3.073 22 HB2 ASP 7 1HB ASP 7 -1.080 3.835 -0.115 23 HB3 ASP 7 2HB ASP 7 -2.351 4.233 -1.295 24 H HIS 8 HN HIS 8 0.801 5.998 -0.299 25 HA HIS 8 HA HIS 8 -1.068 8.247 -0.033 26 HB2 HIS 8 1HB HIS 8 1.604 7.569 1.264 27 HB3 HIS 8 2HB HIS 8 0.725 9.083 1.583 28 HD1 HIS 8 HD1 HIS 8 -1.747 8.764 2.616 29 HD2 HIS 8 HD2 HIS 8 0.748 5.376 2.845 30 HE1 HIS 8 HE1 HIS 8 -2.694 7.347 4.367 31 H LEU 9 HN LEU 9 2.140 7.691 -1.427 32 HA LEU 9 HA LEU 9 2.496 10.502 -2.135 33 HB2 LEU 9 1HB LEU 9 4.294 9.174 -1.680 34 HB3 LEU 9 2HB LEU 9 3.989 7.947 -2.930 35 HG LEU 9 HG LEU 9 4.325 9.712 -4.668 36 HD11 LEU 9 1HD1 LEU 9 5.448 11.843 -3.966 37 HD12 LEU 9 2HD1 LEU 9 3.835 11.689 -3.230 38 HD13 LEU 9 3HD1 LEU 9 5.291 11.346 -2.264 39 HD21 LEU 9 3HD2 LEU 9 6.122 8.187 -4.099 40 HD22 LEU 9 1HD2 LEU 9 6.785 9.796 -4.469 41 HD23 LEU 9 2HD2 LEU 9 6.649 9.255 -2.778 42 H LEU 10 HN LEU 10 1.839 7.544 -4.037 43 HA LEU 10 HA LEU 10 1.753 8.806 -6.559 44 HB2 LEU 10 1HB LEU 10 1.762 6.450 -5.906 45 HB3 LEU 10 2HB LEU 10 -0.010 6.438 -5.752 46 HG LEU 10 HG LEU 10 1.524 7.192 -8.269 47 HD11 LEU 10 1HD1 LEU 10 0.703 4.997 -9.166 48 HD12 LEU 10 2HD1 LEU 10 1.748 4.765 -7.745 49 HD13 LEU 10 3HD1 LEU 10 -0.020 4.638 -7.581 50 HD21 LEU 10 3HD2 LEU 10 -0.624 8.300 -8.088 51 HD22 LEU 10 1HD2 LEU 10 -0.686 7.061 -9.363 52 HD23 LEU 10 2HD2 LEU 10 -1.433 6.745 -7.777 53 H SER 11 HN SER 11 -0.998 8.115 -4.384 54 HA SER 11 HA SER 11 -3.076 9.124 -6.077 55 HB2 SER 11 1HB SER 11 -2.932 8.903 -3.133 56 HB3 SER 11 2HB SER 11 -4.370 9.323 -4.091 57 HG SER 11 HG SER 11 -4.236 7.085 -3.626 58 H THR 12 HN THR 12 -1.017 10.717 -3.622 59 HA THR 12 HA THR 12 -2.480 13.224 -3.701 60 HB THR 12 HB THR 12 0.335 12.611 -2.705 61 HG1 THR 12 HG1 THR 12 -1.364 11.498 -1.592 62 HG21 THR 12 3HG2 THR 12 -1.496 14.989 -2.197 63 HG22 THR 12 1HG2 THR 12 0.084 14.710 -1.429 64 HG23 THR 12 2HG2 THR 12 -0.014 15.010 -3.180 65 H LEU 13 HN LEU 13 0.445 12.013 -5.292 66 HA LEU 13 HA LEU 13 1.294 14.471 -6.442 67 HB2 LEU 13 1HB LEU 13 1.397 11.657 -7.285 68 HB3 LEU 13 2HB LEU 13 2.279 12.855 -8.261 69 HG LEU 13 HG LEU 13 2.785 12.176 -5.337 70 HD11 LEU 13 1HD1 LEU 13 4.978 11.309 -6.193 71 HD12 LEU 13 2HD1 LEU 13 3.609 10.440 -6.927 72 HD13 LEU 13 3HD1 LEU 13 4.466 11.697 -7.852 73 HD21 LEU 13 3HD2 LEU 13 3.166 14.529 -5.774 74 HD22 LEU 13 1HD2 LEU 13 4.721 13.699 -5.525 75 HD23 LEU 13 2HD2 LEU 13 4.197 14.134 -7.170 76 H GLU 14 HN GLU 14 -1.188 12.188 -7.473 77 HA GLU 14 HA GLU 14 -1.706 13.487 -10.011 78 HB2 GLU 14 1HB GLU 14 -3.378 11.712 -8.230 79 HB3 GLU 14 2HB GLU 14 -3.900 12.299 -9.827 80 HG2 GLU 14 1HG GLU 14 -1.969 11.053 -10.889 81 HG3 GLU 14 2HG GLU 14 -1.493 10.632 -9.228 82 H GLU 15 HN GLU 15 -2.704 14.089 -6.715 83 HA GLU 15 HA GLU 15 -4.869 15.911 -7.570 84 HB2 GLU 15 1HB GLU 15 -3.731 15.192 -4.864 85 HB3 GLU 15 2HB GLU 15 -5.092 16.308 -5.133 86 HG2 GLU 15 1HG GLU 15 -5.097 13.300 -5.788 87 HG3 GLU 15 2HG GLU 15 -5.857 14.176 -4.441 88 H LEU 16 HN LEU 16 -1.514 16.072 -6.767 89 HA LEU 16 HA LEU 16 -1.525 18.916 -6.103 90 HB2 LEU 16 1HB LEU 16 0.516 16.966 -6.937 91 HB3 LEU 16 2HB LEU 16 1.025 18.608 -6.477 92 HG LEU 16 HG LEU 16 -0.320 16.552 -4.679 93 HD11 LEU 16 1HD1 LEU 16 1.861 16.607 -3.439 94 HD12 LEU 16 2HD1 LEU 16 2.088 16.084 -5.124 95 HD13 LEU 16 3HD1 LEU 16 2.501 17.747 -4.645 96 HD21 LEU 16 3HD2 LEU 16 -1.061 18.799 -4.144 97 HD22 LEU 16 1HD2 LEU 16 0.025 18.197 -2.868 98 HD23 LEU 16 2HD2 LEU 16 0.624 19.368 -4.069 99 H VAL 17 HN VAL 17 -0.543 20.593 -7.308 100 HA VAL 17 HA VAL 17 -1.643 20.736 -9.986 101 HB VAL 17 HB VAL 17 0.397 22.519 -8.590 102 HG11 VAL 17 1HG1 VAL 17 -0.263 24.192 -10.286 103 HG12 VAL 17 2HG1 VAL 17 0.443 22.750 -11.051 104 HG13 VAL 17 3HG1 VAL 17 -1.321 22.990 -11.061 105 HG21 VAL 17 3HG2 VAL 17 -1.695 22.416 -7.372 106 HG22 VAL 17 1HG2 VAL 17 -1.499 23.998 -8.159 107 HG23 VAL 17 2HG2 VAL 17 -2.601 22.788 -8.859 108 HA PRO 18 HA PRO 18 1.364 18.488 -12.197 109 HB2 PRO 18 1HB PRO 18 0.213 20.188 -14.456 110 HB3 PRO 18 2HB PRO 18 0.462 18.438 -14.410 111 HG2 PRO 18 1HG PRO 18 -2.001 19.408 -14.115 112 HG3 PRO 18 2HG PRO 18 -1.478 18.057 -13.100 113 HD2 PRO 18 1HD PRO 18 -1.757 20.994 -12.363 114 HD3 PRO 18 2HD PRO 18 -2.111 19.564 -11.385 115 H TYR 19 HN TYR 19 0.953 21.987 -12.610 116 HA TYR 19 HA TYR 19 3.568 22.413 -13.753 117 HB2 TYR 19 1HB TYR 19 1.678 24.200 -12.217 118 HB3 TYR 19 2HB TYR 19 3.215 24.756 -12.922 119 HD1 TYR 19 HD2 TYR 19 3.521 24.534 -15.445 120 HD2 TYR 19 HD1 TYR 19 -0.271 24.081 -13.548 121 HE1 TYR 19 HE2 TYR 19 2.402 24.911 -17.616 122 HE2 TYR 19 HE1 TYR 19 -1.410 24.458 -15.716 123 HH TYR 19 HH TYR 19 0.415 25.070 -18.719 124 H ASP 20 HN ASP 20 2.408 22.057 -10.463 125 HA ASP 20 HA ASP 20 5.061 22.799 -9.366 126 HB2 ASP 20 1HB ASP 20 2.491 21.841 -7.967 127 HB3 ASP 20 2HB ASP 20 4.102 22.179 -7.290 128 H PHE 21 HN PHE 21 3.375 19.988 -10.438 129 HA PHE 21 HA PHE 21 5.121 18.069 -9.119 130 HB2 PHE 21 1HB PHE 21 2.913 17.444 -10.111 131 HB3 PHE 21 2HB PHE 21 3.564 17.800 -11.726 132 HD1 PHE 21 HD1 PHE 21 4.489 15.796 -8.708 133 HD2 PHE 21 HD2 PHE 21 4.262 16.042 -12.966 134 HE1 PHE 21 HE1 PHE 21 5.319 13.474 -8.884 135 HE2 PHE 21 HE2 PHE 21 5.091 13.719 -13.147 136 HZ PHE 21 HZ PHE 21 5.620 12.436 -11.104 137 H GLU 22 HN GLU 22 5.267 19.917 -12.131 138 HA GLU 22 HA GLU 22 7.760 18.781 -13.042 139 HB2 GLU 22 1HB GLU 22 6.467 21.480 -13.439 140 HB3 GLU 22 2HB GLU 22 7.984 20.978 -14.227 141 HG2 GLU 22 1HG GLU 22 5.224 19.682 -14.657 142 HG3 GLU 22 2HG GLU 22 6.163 20.761 -15.713 143 H LYS 23 HN LYS 23 6.961 21.322 -10.726 144 HA LYS 23 HA LYS 23 9.738 22.024 -10.205 145 HB2 LYS 23 1HB LYS 23 7.228 22.321 -8.548 146 HB3 LYS 23 2HB LYS 23 8.818 23.007 -8.134 147 HG2 LYS 23 1HG LYS 23 8.767 24.436 -10.093 148 HG3 LYS 23 2HG LYS 23 7.257 23.678 -10.650 149 HD2 LYS 23 1HD LYS 23 6.210 24.459 -8.468 150 HD3 LYS 23 2HD LYS 23 7.681 25.427 -8.211 151 HE2 LYS 23 1HE LYS 23 7.277 26.741 -10.145 152 HE3 LYS 23 2HE LYS 23 6.028 25.621 -10.735 153 HZ1 LYS 23 3HZ LYS 23 5.816 27.312 -8.327 154 HZ2 LYS 23 1HZ LYS 23 5.066 27.598 -9.769 155 HZ3 LYS 23 2HZ LYS 23 4.657 26.273 -8.874 156 H PHE 24 HN PHE 24 7.437 19.716 -8.799 157 HA PHE 24 HA PHE 24 9.099 18.656 -6.759 158 HB2 PHE 24 1HB PHE 24 6.713 18.001 -7.134 159 HB3 PHE 24 2HB PHE 24 7.213 17.114 -8.592 160 HD1 PHE 24 HD1 PHE 24 7.361 17.218 -4.921 161 HD2 PHE 24 HD2 PHE 24 8.281 15.005 -8.458 162 HE1 PHE 24 HE1 PHE 24 7.790 15.206 -3.550 163 HE2 PHE 24 HE2 PHE 24 8.707 12.991 -7.089 164 HZ PHE 24 HZ PHE 24 8.463 13.092 -4.634 165 H LYS 25 HN LYS 25 8.988 17.843 -10.226 166 HA LYS 25 HA LYS 25 11.042 15.858 -10.159 167 HB2 LYS 25 1HB LYS 25 10.195 17.810 -12.301 168 HB3 LYS 25 2HB LYS 25 11.385 16.510 -12.550 169 HG2 LYS 25 1HG LYS 25 9.705 14.820 -12.093 170 HG3 LYS 25 2HG LYS 25 8.509 16.071 -11.679 171 HD2 LYS 25 1HD LYS 25 8.532 16.909 -13.961 172 HD3 LYS 25 2HD LYS 25 9.830 15.771 -14.397 173 HE2 LYS 25 1HE LYS 25 8.360 13.878 -13.989 174 HE3 LYS 25 2HE LYS 25 7.070 14.968 -13.431 175 HZ1 LYS 25 3HZ LYS 25 8.192 14.897 -16.157 176 HZ2 LYS 25 1HZ LYS 25 6.731 14.279 -15.706 177 HZ3 LYS 25 2HZ LYS 25 6.995 15.907 -15.641 178 H PHE 26 HN PHE 26 11.227 19.389 -10.518 179 HA PHE 26 HA PHE 26 13.956 19.537 -11.275 180 HB2 PHE 26 1HB PHE 26 12.429 21.477 -11.382 181 HB3 PHE 26 2HB PHE 26 12.331 21.508 -9.607 182 HD1 PHE 26 HD1 PHE 26 14.630 21.924 -12.483 183 HD2 PHE 26 HD2 PHE 26 13.917 22.621 -8.328 184 HE1 PHE 26 HE1 PHE 26 16.581 23.440 -12.403 185 HE2 PHE 26 HE2 PHE 26 15.866 24.140 -8.247 186 HZ PHE 26 HZ PHE 26 17.200 24.548 -10.285 187 H LYS 27 HN LYS 27 12.524 19.591 -8.008 188 HA LYS 27 HA LYS 27 15.201 19.780 -6.793 189 HB2 LYS 27 1HB LYS 27 12.432 19.449 -5.632 190 HB3 LYS 27 2HB LYS 27 13.922 19.608 -4.674 191 HG2 LYS 27 1HG LYS 27 12.860 21.691 -6.614 192 HG3 LYS 27 2HG LYS 27 12.640 21.735 -4.849 193 HD2 LYS 27 1HD LYS 27 15.109 21.746 -4.570 194 HD3 LYS 27 2HD LYS 27 15.285 21.794 -6.341 195 HE2 LYS 27 1HE LYS 27 14.068 23.922 -6.414 196 HE3 LYS 27 2HE LYS 27 13.865 23.874 -4.648 197 HZ1 LYS 27 3HZ LYS 27 16.444 24.025 -6.074 198 HZ2 LYS 27 1HZ LYS 27 15.704 25.277 -5.294 199 HZ3 LYS 27 2HZ LYS 27 16.256 23.981 -4.435 200 H LEU 28 HN LEU 28 12.912 17.296 -7.617 201 HA LEU 28 HA LEU 28 13.889 15.239 -5.875 202 HB2 LEU 28 1HB LEU 28 11.880 15.179 -7.058 203 HB3 LEU 28 2HB LEU 28 12.626 15.031 -8.665 204 HG LEU 28 HG LEU 28 13.690 12.882 -7.865 205 HD11 LEU 28 1HD1 LEU 28 12.627 11.776 -5.880 206 HD12 LEU 28 2HD1 LEU 28 13.434 13.294 -5.420 207 HD13 LEU 28 3HD1 LEU 28 11.663 13.245 -5.596 208 HD21 LEU 28 3HD2 LEU 28 11.753 12.873 -9.324 209 HD22 LEU 28 1HD2 LEU 28 11.641 11.533 -8.160 210 HD23 LEU 28 2HD2 LEU 28 10.661 13.002 -7.925 211 H GLN 29 HN GLN 29 15.064 16.495 -8.943 212 HA GLN 29 HA GLN 29 16.921 14.359 -9.472 213 HB2 GLN 29 1HB GLN 29 16.865 17.276 -10.265 214 HB3 GLN 29 2HB GLN 29 18.082 16.115 -10.847 215 HG2 GLN 29 1HG GLN 29 16.034 14.779 -11.989 216 HG3 GLN 29 2HG GLN 29 15.202 16.075 -11.098 217 HE21 GLN 29 2HE2 GLN 29 14.781 15.651 -13.813 218 HE22 GLN 29 1HE2 GLN 29 15.441 16.979 -14.708 219 H ASN 30 HN ASN 30 16.917 16.863 -7.139 220 HA ASN 30 HA ASN 30 19.900 16.756 -6.895 221 HB2 ASN 30 1HB ASN 30 18.055 18.938 -5.664 222 HB3 ASN 30 2HB ASN 30 19.778 18.494 -5.603 223 HD21 ASN 30 2HD2 ASN 30 17.290 20.067 -7.340 224 HD22 ASN 30 1HD2 ASN 30 18.244 20.611 -8.680 225 H THR 31 HN THR 31 17.756 14.800 -5.901 226 HA THR 31 HA THR 31 18.207 14.924 -2.983 227 HB THR 31 HB THR 31 16.913 12.818 -2.928 228 HG1 THR 31 HG1 THR 31 16.050 12.053 -4.948 229 HG21 THR 31 3HG2 THR 31 15.652 14.944 -4.705 230 HG22 THR 31 1HG2 THR 31 14.771 13.707 -3.777 231 HG23 THR 31 2HG2 THR 31 15.696 14.969 -2.926 232 H SER 32 HN SER 32 19.006 13.043 -1.811 233 HA SER 32 HA SER 32 21.661 12.250 -2.924 234 HB2 SER 32 1HB SER 32 22.246 11.639 -0.827 235 HB3 SER 32 2HB SER 32 21.438 13.221 -0.740 236 HG SER 32 HG SER 32 20.704 11.878 0.909 237 H VAL 33 HN VAL 33 22.364 9.987 -2.308 238 HA VAL 33 HA VAL 33 20.277 7.891 -2.303 239 HB VAL 33 HB VAL 33 20.547 8.452 -4.746 240 HG11 VAL 33 1HG1 VAL 33 22.676 7.827 -5.837 241 HG12 VAL 33 2HG1 VAL 33 22.918 9.149 -4.671 242 HG13 VAL 33 3HG1 VAL 33 23.393 7.487 -4.244 243 HG21 VAL 33 3HG2 VAL 33 19.860 6.240 -4.035 244 HG22 VAL 33 1HG2 VAL 33 20.908 6.146 -5.470 245 HG23 VAL 33 2HG2 VAL 33 21.562 5.746 -3.862 246 H GLN 34 HN GLN 34 20.876 6.031 -1.473 247 HA GLN 34 HA GLN 34 23.523 5.981 -0.176 248 HB2 GLN 34 1HB GLN 34 21.245 3.989 -0.187 249 HB3 GLN 34 2HB GLN 34 22.710 3.892 0.820 250 HG2 GLN 34 1HG GLN 34 20.445 6.034 1.227 251 HG3 GLN 34 2HG GLN 34 20.997 4.541 2.023 252 HE21 GLN 34 2HE2 GLN 34 21.312 7.925 1.811 253 HE22 GLN 34 1HE2 GLN 34 22.707 8.110 2.822 254 H LYS 35 HN LYS 35 24.854 4.038 -0.198 255 HA LYS 35 HA LYS 35 25.772 3.481 -2.830 256 HB2 LYS 35 1HB LYS 35 27.123 3.249 -0.799 257 HB3 LYS 35 2HB LYS 35 26.122 1.864 -0.301 258 HG2 LYS 35 1HG LYS 35 26.877 0.586 -2.243 259 HG3 LYS 35 2HG LYS 35 27.830 1.978 -2.810 260 HD2 LYS 35 1HD LYS 35 29.216 1.872 -0.791 261 HD3 LYS 35 2HD LYS 35 28.247 0.509 -0.184 262 HE2 LYS 35 1HE LYS 35 28.919 -0.835 -2.131 263 HE3 LYS 35 2HE LYS 35 29.894 0.526 -2.731 264 HZ1 LYS 35 3HZ LYS 35 30.331 -0.906 -0.189 265 HZ2 LYS 35 1HZ LYS 35 31.237 -1.080 -1.555 266 HZ3 LYS 35 2HZ LYS 35 31.235 0.357 -0.745 267 H GLU 36 HN GLU 36 23.671 1.560 -0.694 268 HA GLU 36 HA GLU 36 23.470 -0.610 -2.648 269 HB2 GLU 36 1HB GLU 36 21.948 0.035 -0.120 270 HB3 GLU 36 2HB GLU 36 21.694 -1.425 -1.107 271 HG2 GLU 36 1HG GLU 36 24.084 -2.128 -0.620 272 HG3 GLU 36 2HG GLU 36 24.218 -0.588 0.260 273 H HIS 37 HN HIS 37 21.727 2.325 -1.958 274 HA HIS 37 HA HIS 37 19.316 1.463 -3.399 275 HB2 HIS 37 1HB HIS 37 20.192 4.162 -2.278 276 HB3 HIS 37 2HB HIS 37 18.624 3.860 -3.063 277 HD1 HIS 37 HD1 HIS 37 18.590 4.832 -0.237 278 HD2 HIS 37 HD2 HIS 37 18.677 0.751 -1.094 279 HE1 HIS 37 HE1 HIS 37 17.697 3.768 1.731 280 H SER 38 HN SER 38 18.479 2.399 -5.281 281 HA SER 38 HA SER 38 20.588 3.086 -7.312 282 HB2 SER 38 1HB SER 38 17.771 2.232 -7.590 283 HB3 SER 38 2HB SER 38 18.869 2.711 -8.906 284 HG SER 38 HG SER 38 18.844 0.448 -8.549 285 H ARG 39 HN ARG 39 20.532 4.949 -8.502 286 HA ARG 39 HA ARG 39 18.662 7.088 -7.537 287 HB2 ARG 39 1HB ARG 39 21.031 7.481 -7.136 288 HB3 ARG 39 2HB ARG 39 21.294 7.448 -8.895 289 HG2 ARG 39 1HG ARG 39 19.843 9.382 -9.179 290 HG3 ARG 39 2HG ARG 39 19.479 9.392 -7.437 291 HD2 ARG 39 1HD ARG 39 21.831 9.854 -6.983 292 HD3 ARG 39 2HD ARG 39 22.131 9.923 -8.734 293 HE ARG 39 HE ARG 39 20.160 11.944 -8.125 294 HH11 ARG 39 1HH1 ARG 39 23.497 11.281 -7.362 295 HH12 ARG 39 2HH1 ARG 39 23.816 12.998 -7.234 296 HH21 ARG 39 1HH2 ARG 39 20.507 13.915 -7.974 297 HH22 ARG 39 2HH2 ARG 39 22.112 14.503 -7.583 298 H ILE 40 HN ILE 40 17.250 7.982 -8.827 299 HA ILE 40 HA ILE 40 16.879 6.791 -11.493 300 HB ILE 40 HB ILE 40 15.351 9.005 -10.047 301 HG12 ILE 40 1HG1 ILE 40 14.646 6.102 -10.390 302 HG13 ILE 40 2HG1 ILE 40 15.347 6.820 -8.921 303 HG21 ILE 40 1HG2 ILE 40 13.588 8.553 -11.719 304 HG22 ILE 40 2HG2 ILE 40 15.090 9.092 -12.504 305 HG23 ILE 40 3HG2 ILE 40 14.648 7.369 -12.519 306 HD11 ILE 40 3HD1 ILE 40 12.674 7.561 -10.162 307 HD12 ILE 40 1HD1 ILE 40 12.905 6.564 -8.708 308 HD13 ILE 40 2HD1 ILE 40 13.375 8.281 -8.693 309 HA PRO 41 HA PRO 41 19.352 9.647 -13.709 310 HB2 PRO 41 1HB PRO 41 17.550 8.643 -15.949 311 HB3 PRO 41 2HB PRO 41 19.316 8.730 -15.910 312 HG2 PRO 41 1HG PRO 41 18.120 6.365 -15.628 313 HG3 PRO 41 2HG PRO 41 19.523 6.751 -14.624 314 HD2 PRO 41 1HD PRO 41 16.575 6.767 -13.862 315 HD3 PRO 41 2HD PRO 41 17.964 6.231 -12.908 316 H ARG 42 HN ARG 42 19.192 11.635 -14.519 317 HA ARG 42 HA ARG 42 16.922 13.164 -13.683 318 HB2 ARG 42 1HB ARG 42 19.180 13.844 -15.506 319 HB3 ARG 42 2HB ARG 42 17.899 14.979 -15.020 320 HG2 ARG 42 1HG ARG 42 18.543 14.712 -12.668 321 HG3 ARG 42 2HG ARG 42 19.814 13.558 -13.143 322 HD2 ARG 42 1HD ARG 42 20.938 15.311 -14.376 323 HD3 ARG 42 2HD ARG 42 19.671 16.461 -13.890 324 HE ARG 42 HE ARG 42 20.899 15.476 -11.470 325 HH11 ARG 42 1HH1 ARG 42 21.839 17.339 -14.264 326 HH12 ARG 42 2HH1 ARG 42 23.013 18.210 -13.296 327 HH21 ARG 42 1HH2 ARG 42 22.244 16.458 -10.351 328 HH22 ARG 42 2HH2 ARG 42 23.246 17.707 -11.065 329 H SER 43 HN SER 43 17.721 11.643 -16.748 330 HA SER 43 HA SER 43 15.726 12.984 -18.392 331 HB2 SER 43 1HB SER 43 16.120 11.383 -19.970 332 HB3 SER 43 2HB SER 43 17.662 11.908 -19.257 333 HG SER 43 HG SER 43 17.645 9.994 -18.022 334 H GLN 44 HN GLN 44 15.673 10.320 -16.085 335 HA GLN 44 HA GLN 44 13.038 9.369 -17.046 336 HB2 GLN 44 1HB GLN 44 14.759 8.526 -14.702 337 HB3 GLN 44 2HB GLN 44 13.257 7.732 -15.232 338 HG2 GLN 44 1HG GLN 44 15.986 7.586 -16.766 339 HG3 GLN 44 2HG GLN 44 14.882 6.502 -15.888 340 HE21 GLN 44 2HE2 GLN 44 15.765 7.793 -18.899 341 HE22 GLN 44 1HE2 GLN 44 14.402 7.249 -19.820 342 H ILE 45 HN ILE 45 14.413 11.242 -14.401 343 HA ILE 45 HA ILE 45 11.893 11.544 -12.967 344 HB ILE 45 HB ILE 45 14.446 13.211 -13.043 345 HG12 ILE 45 1HG1 ILE 45 13.329 11.467 -10.867 346 HG13 ILE 45 2HG1 ILE 45 14.527 10.935 -12.070 347 HG21 ILE 45 1HG2 ILE 45 13.526 14.400 -11.082 348 HG22 ILE 45 2HG2 ILE 45 12.502 14.644 -12.516 349 HG23 ILE 45 3HG2 ILE 45 12.002 13.499 -11.249 350 HD11 ILE 45 3HD1 ILE 45 14.899 13.191 -10.068 351 HD12 ILE 45 1HD1 ILE 45 15.615 11.568 -9.952 352 HD13 ILE 45 2HD1 ILE 45 16.096 12.660 -11.272 353 H GLN 46 HN GLN 46 13.522 13.446 -15.480 354 HA GLN 46 HA GLN 46 11.576 15.555 -15.505 355 HB2 GLN 46 1HB GLN 46 13.834 15.653 -16.527 356 HB3 GLN 46 2HB GLN 46 13.287 14.500 -17.767 357 HG2 GLN 46 1HG GLN 46 12.982 16.840 -18.845 358 HG3 GLN 46 2HG GLN 46 11.553 15.954 -18.266 359 HE21 GLN 46 2HE2 GLN 46 10.328 17.863 -18.138 360 HE22 GLN 46 1HE2 GLN 46 10.583 19.029 -16.883 361 H ARG 47 HN ARG 47 11.628 12.371 -16.961 362 HA ARG 47 HA ARG 47 9.139 13.041 -18.480 363 HB2 ARG 47 1HB ARG 47 11.034 10.758 -18.791 364 HB3 ARG 47 2HB ARG 47 9.500 10.966 -19.666 365 HG2 ARG 47 1HG ARG 47 10.357 13.070 -20.636 366 HG3 ARG 47 2HG ARG 47 11.903 12.813 -19.792 367 HD2 ARG 47 1HD ARG 47 12.285 10.812 -21.067 368 HD3 ARG 47 2HD ARG 47 10.716 11.017 -21.883 369 HE ARG 47 HE ARG 47 12.311 13.340 -22.509 370 HH11 ARG 47 1HH1 ARG 47 12.422 9.904 -23.091 371 HH12 ARG 47 2HH1 ARG 47 13.255 10.182 -24.608 372 HH21 ARG 47 1HH2 ARG 47 13.271 13.674 -24.240 373 HH22 ARG 47 2HH2 ARG 47 13.741 12.331 -25.264 374 H ALA 48 HN ALA 48 9.583 12.347 -15.501 375 HA ALA 48 HA ALA 48 8.237 9.784 -15.203 376 HB1 ALA 48 3HB ALA 48 8.801 11.981 -13.183 377 HB2 ALA 48 1HB ALA 48 8.230 10.340 -12.802 378 HB3 ALA 48 2HB ALA 48 9.840 10.577 -13.522 379 H ARG 49 HN ARG 49 6.178 9.352 -14.452 380 HA ARG 49 HA ARG 49 4.263 11.660 -14.569 381 HB2 ARG 49 1HB ARG 49 3.812 8.759 -15.091 382 HB3 ARG 49 2HB ARG 49 2.521 9.960 -14.854 383 HG2 ARG 49 1HG ARG 49 3.318 11.216 -16.803 384 HG3 ARG 49 2HG ARG 49 4.627 10.033 -17.036 385 HD2 ARG 49 1HD ARG 49 2.954 8.304 -17.430 386 HD3 ARG 49 2HD ARG 49 1.678 9.533 -17.270 387 HE ARG 49 HE ARG 49 3.395 9.217 -19.689 388 HH11 ARG 49 1HH1 ARG 49 1.102 11.215 -17.984 389 HH12 ARG 49 2HH1 ARG 49 0.759 12.092 -19.462 390 HH21 ARG 49 1HH2 ARG 49 3.007 10.207 -21.391 391 HH22 ARG 49 2HH2 ARG 49 1.845 11.517 -21.407 392 HA PRO 50 HA PRO 50 3.226 11.422 -10.336 393 HB2 PRO 50 1HB PRO 50 0.342 11.073 -11.260 394 HB3 PRO 50 2HB PRO 50 0.999 12.254 -10.119 395 HG2 PRO 50 1HG PRO 50 0.352 13.045 -12.578 396 HG3 PRO 50 2HG PRO 50 1.838 13.655 -11.839 397 HD2 PRO 50 1HD PRO 50 1.513 11.494 -13.958 398 HD3 PRO 50 2HD PRO 50 2.760 12.742 -13.826 399 H VAL 51 HN VAL 51 1.768 9.057 -12.522 400 HA VAL 51 HA VAL 51 1.305 7.107 -10.368 401 HB VAL 51 HB VAL 51 1.373 6.822 -13.401 402 HG11 VAL 51 1HG1 VAL 51 0.302 4.631 -13.001 403 HG12 VAL 51 2HG1 VAL 51 1.918 4.698 -12.261 404 HG13 VAL 51 3HG1 VAL 51 0.466 4.871 -11.246 405 HG21 VAL 51 3HG2 VAL 51 -0.436 8.238 -12.632 406 HG22 VAL 51 1HG2 VAL 51 -1.059 6.677 -13.215 407 HG23 VAL 51 2HG2 VAL 51 -0.943 6.990 -11.467 408 H LYS 52 HN LYS 52 3.776 7.529 -12.892 409 HA LYS 52 HA LYS 52 5.133 5.071 -12.062 410 HB2 LYS 52 1HB LYS 52 5.917 7.312 -13.931 411 HB3 LYS 52 2HB LYS 52 6.860 5.825 -13.671 412 HG2 LYS 52 1HG LYS 52 4.990 4.481 -14.533 413 HG3 LYS 52 2HG LYS 52 4.037 5.962 -14.783 414 HD2 LYS 52 1HD LYS 52 5.697 6.782 -16.388 415 HD3 LYS 52 2HD LYS 52 6.690 5.330 -16.118 416 HE2 LYS 52 1HE LYS 52 4.833 3.925 -16.942 417 HE3 LYS 52 2HE LYS 52 3.877 5.392 -17.253 418 HZ1 LYS 52 3HZ LYS 52 6.447 4.716 -18.535 419 HZ2 LYS 52 1HZ LYS 52 4.961 4.599 -19.243 420 HZ3 LYS 52 2HZ LYS 52 5.560 6.077 -18.824 421 H MET 53 HN MET 53 5.180 8.353 -11.070 422 HA MET 53 HA MET 53 7.916 8.607 -10.273 423 HB2 MET 53 1HB MET 53 6.324 10.461 -10.440 424 HB3 MET 53 2HB MET 53 5.425 9.801 -9.053 425 HG2 MET 53 1HG MET 53 6.826 11.656 -8.333 426 HG3 MET 53 2HG MET 53 7.404 10.129 -7.625 427 HE1 MET 53 3HE MET 53 8.240 13.241 -9.680 428 HE2 MET 53 1HE MET 53 9.544 12.724 -10.776 429 HE3 MET 53 2HE MET 53 7.881 12.143 -11.035 430 H ALA 54 HN ALA 54 5.077 7.764 -8.261 431 HA ALA 54 HA ALA 54 6.627 7.176 -5.942 432 HB1 ALA 54 3HB ALA 54 3.901 6.117 -6.763 433 HB2 ALA 54 1HB ALA 54 4.599 6.036 -5.130 434 HB3 ALA 54 2HB ALA 54 4.215 7.615 -5.854 435 H THR 55 HN THR 55 5.583 5.156 -8.654 436 HA THR 55 HA THR 55 6.382 2.639 -7.533 437 HB THR 55 HB THR 55 6.264 3.530 -10.445 438 HG1 THR 55 HG1 THR 55 4.224 2.418 -10.329 439 HG21 THR 55 3HG2 THR 55 6.357 0.747 -9.215 440 HG22 THR 55 1HG2 THR 55 6.142 1.114 -10.941 441 HG23 THR 55 2HG2 THR 55 7.672 1.523 -10.128 442 H LEU 56 HN LEU 56 8.139 4.943 -9.610 443 HA LEU 56 HA LEU 56 10.518 3.302 -9.735 444 HB2 LEU 56 1HB LEU 56 9.895 6.143 -10.160 445 HB3 LEU 56 2HB LEU 56 11.550 5.586 -10.498 446 HG LEU 56 HG LEU 56 9.018 4.616 -11.880 447 HD11 LEU 56 1HD1 LEU 56 9.963 5.786 -13.889 448 HD12 LEU 56 2HD1 LEU 56 9.672 6.926 -12.555 449 HD13 LEU 56 3HD1 LEU 56 11.324 6.359 -12.896 450 HD21 LEU 56 3HD2 LEU 56 10.685 2.865 -11.703 451 HD22 LEU 56 1HD2 LEU 56 10.561 3.414 -13.391 452 HD23 LEU 56 2HD2 LEU 56 11.930 3.941 -12.382 453 H LEU 57 HN LEU 57 9.434 5.880 -7.584 454 HA LEU 57 HA LEU 57 11.979 6.271 -6.291 455 HB2 LEU 57 1HB LEU 57 9.162 6.693 -5.581 456 HB3 LEU 57 2HB LEU 57 10.394 7.211 -4.407 457 HG LEU 57 HG LEU 57 10.087 8.248 -7.252 458 HD11 LEU 57 1HD1 LEU 57 9.408 10.389 -6.135 459 HD12 LEU 57 2HD1 LEU 57 8.295 9.064 -5.722 460 HD13 LEU 57 3HD1 LEU 57 9.533 9.585 -4.552 461 HD21 LEU 57 3HD2 LEU 57 12.403 8.222 -6.537 462 HD22 LEU 57 1HD2 LEU 57 11.809 9.898 -6.605 463 HD23 LEU 57 2HD2 LEU 57 11.980 9.077 -5.034 464 H VAL 58 HN VAL 58 9.211 4.170 -5.565 465 HA VAL 58 HA VAL 58 10.408 3.046 -3.149 466 HB VAL 58 HB VAL 58 8.204 2.059 -5.005 467 HG11 VAL 58 1HG1 VAL 58 7.694 0.426 -3.220 468 HG12 VAL 58 2HG1 VAL 58 9.324 0.162 -3.884 469 HG13 VAL 58 3HG1 VAL 58 9.123 0.972 -2.312 470 HG21 VAL 58 3HG2 VAL 58 7.637 4.080 -3.795 471 HG22 VAL 58 1HG2 VAL 58 6.719 2.691 -3.170 472 HG23 VAL 58 2HG2 VAL 58 8.114 3.318 -2.259 473 H THR 59 HN THR 59 10.409 2.113 -6.562 474 HA THR 59 HA THR 59 11.770 -0.398 -6.108 475 HB THR 59 HB THR 59 11.636 1.360 -8.594 476 HG1 THR 59 HG1 THR 59 10.027 -0.216 -9.181 477 HG21 THR 59 3HG2 THR 59 12.465 -1.550 -8.255 478 HG22 THR 59 1HG2 THR 59 12.293 -0.691 -9.804 479 HG23 THR 59 2HG2 THR 59 13.553 -0.198 -8.647 480 H TYR 60 HN TYR 60 12.910 2.874 -6.907 481 HA TYR 60 HA TYR 60 15.677 1.921 -7.188 482 HB2 TYR 60 1HB TYR 60 14.249 4.547 -7.415 483 HB3 TYR 60 2HB TYR 60 16.020 4.508 -7.230 484 HD1 TYR 60 HD1 TYR 60 13.343 2.871 -9.296 485 HD2 TYR 60 HD2 TYR 60 17.291 4.478 -9.174 486 HE1 TYR 60 HE1 TYR 60 13.582 2.447 -11.725 487 HE2 TYR 60 HE2 TYR 60 17.547 4.062 -11.597 488 HH TYR 60 HH TYR 60 16.569 3.267 -13.495 489 H TYR 61 HN TYR 61 13.943 4.078 -4.918 490 HA TYR 61 HA TYR 61 16.439 4.182 -3.285 491 HB2 TYR 61 1HB TYR 61 13.898 5.818 -3.133 492 HB3 TYR 61 2HB TYR 61 15.377 6.067 -2.174 493 HD1 TYR 61 HD2 TYR 61 17.502 6.734 -3.388 494 HD2 TYR 61 HD1 TYR 61 13.687 6.774 -5.293 495 HE1 TYR 61 HE2 TYR 61 18.410 8.209 -5.151 496 HE2 TYR 61 HE1 TYR 61 14.581 8.253 -7.068 497 HH TYR 61 HH TYR 61 17.679 9.781 -6.864 498 H GLY 62 HN GLY 62 12.982 3.413 -3.026 499 HA2 GLY 62 1HA GLY 62 12.597 1.308 -1.706 500 HA3 GLY 62 2HA GLY 62 13.639 2.024 -0.455 501 H GLU 63 HN GLU 63 11.128 1.165 0.219 502 HA GLU 63 HA GLU 63 9.024 3.083 -0.140 503 HB2 GLU 63 1HB GLU 63 9.530 0.966 1.951 504 HB3 GLU 63 2HB GLU 63 8.053 1.958 1.888 505 HG2 GLU 63 1HG GLU 63 7.527 0.984 -0.389 506 HG3 GLU 63 2HG GLU 63 9.086 0.140 -0.248 507 H GLU 64 HN GLU 64 11.565 2.780 2.293 508 HA GLU 64 HA GLU 64 10.326 4.930 3.918 509 HB2 GLU 64 1HB GLU 64 11.250 2.969 5.030 510 HB3 GLU 64 2HB GLU 64 12.837 3.288 4.289 511 HG2 GLU 64 1HG GLU 64 13.009 5.426 5.621 512 HG3 GLU 64 2HG GLU 64 11.359 5.071 6.180 513 H TYR 65 HN TYR 65 13.355 4.346 2.123 514 HA TYR 65 HA TYR 65 14.507 6.881 2.901 515 HB2 TYR 65 1HB TYR 65 15.719 4.798 2.135 516 HB3 TYR 65 2HB TYR 65 15.200 5.214 0.483 517 HD1 TYR 65 HD1 TYR 65 16.972 6.728 3.423 518 HD2 TYR 65 HD2 TYR 65 16.601 6.543 -0.821 519 HE1 TYR 65 HE1 TYR 65 18.925 8.235 3.194 520 HE2 TYR 65 HE2 TYR 65 18.548 8.045 -1.068 521 HH TYR 65 HH TYR 65 20.062 9.376 0.019 522 H ALA 66 HN ALA 66 12.632 5.812 0.101 523 HA ALA 66 HA ALA 66 12.925 8.179 -1.452 524 HB1 ALA 66 3HB ALA 66 10.553 6.292 -1.248 525 HB2 ALA 66 1HB ALA 66 10.827 7.482 -2.540 526 HB3 ALA 66 2HB ALA 66 11.945 6.113 -2.342 527 H VAL 67 HN VAL 67 10.684 7.368 1.176 528 HA VAL 67 HA VAL 67 9.179 9.857 1.039 529 HB VAL 67 HB VAL 67 9.633 7.870 3.302 530 HG11 VAL 67 1HG1 VAL 67 7.739 9.007 4.412 531 HG12 VAL 67 2HG1 VAL 67 9.107 10.121 4.180 532 HG13 VAL 67 3HG1 VAL 67 7.693 10.210 3.102 533 HG21 VAL 67 3HG2 VAL 67 8.424 6.935 1.423 534 HG22 VAL 67 1HG2 VAL 67 7.345 7.166 2.819 535 HG23 VAL 67 2HG2 VAL 67 7.285 8.304 1.451 536 H GLN 68 HN GLN 68 12.063 8.855 2.839 537 HA GLN 68 HA GLN 68 12.302 11.255 4.377 538 HB2 GLN 68 1HB GLN 68 14.351 9.298 3.327 539 HB3 GLN 68 2HB GLN 68 14.742 10.646 4.420 540 HG2 GLN 68 1HG GLN 68 13.068 9.443 6.192 541 HG3 GLN 68 2HG GLN 68 12.973 8.388 4.763 542 HE21 GLN 68 2HE2 GLN 68 13.678 7.492 7.344 543 HE22 GLN 68 1HE2 GLN 68 15.329 6.967 7.308 544 H LEU 69 HN LEU 69 13.323 10.456 1.093 545 HA LEU 69 HA LEU 69 14.632 13.049 0.710 546 HB2 LEU 69 1HB LEU 69 13.651 10.930 -1.086 547 HB3 LEU 69 2HB LEU 69 14.591 12.284 -1.753 548 HG LEU 69 HG LEU 69 15.565 10.175 0.214 549 HD11 LEU 69 1HD1 LEU 69 17.116 9.550 -1.655 550 HD12 LEU 69 2HD1 LEU 69 15.415 9.388 -2.147 551 HD13 LEU 69 3HD1 LEU 69 16.364 10.797 -2.677 552 HD21 LEU 69 3HD2 LEU 69 16.529 12.338 0.734 553 HD22 LEU 69 1HD2 LEU 69 17.768 11.276 0.025 554 HD23 LEU 69 2HD2 LEU 69 17.023 12.560 -0.961 555 H THR 70 HN THR 70 11.471 11.633 -0.036 556 HA THR 70 HA THR 70 10.622 13.795 -1.747 557 HB THR 70 HB THR 70 8.959 11.809 -0.141 558 HG1 THR 70 HG1 THR 70 8.892 10.730 -2.201 559 HG21 THR 70 3HG2 THR 70 8.239 13.566 -2.521 560 HG22 THR 70 1HG2 THR 70 7.180 12.351 -1.768 561 HG23 THR 70 2HG2 THR 70 7.671 13.796 -0.850 562 H LEU 71 HN LEU 71 10.443 13.258 1.728 563 HA LEU 71 HA LEU 71 8.675 15.434 2.328 564 HB2 LEU 71 1HB LEU 71 10.878 14.080 3.722 565 HB3 LEU 71 2HB LEU 71 9.970 15.323 4.614 566 HG LEU 71 HG LEU 71 8.799 12.771 3.442 567 HD11 LEU 71 1HD1 LEU 71 8.550 12.064 5.836 568 HD12 LEU 71 2HD1 LEU 71 10.258 12.328 5.414 569 HD13 LEU 71 3HD1 LEU 71 9.371 13.558 6.347 570 HD21 LEU 71 3HD2 LEU 71 7.207 14.599 3.471 571 HD22 LEU 71 1HD2 LEU 71 6.769 13.394 4.705 572 HD23 LEU 71 2HD2 LEU 71 7.557 14.916 5.187 573 H GLN 72 HN GLN 72 12.101 15.309 1.596 574 HA GLN 72 HA GLN 72 12.514 18.123 2.341 575 HB2 GLN 72 1HB GLN 72 14.199 16.116 0.830 576 HB3 GLN 72 2HB GLN 72 14.711 17.776 1.220 577 HG2 GLN 72 1HG GLN 72 14.503 17.031 3.823 578 HG3 GLN 72 2HG GLN 72 13.981 15.575 2.944 579 HE21 GLN 72 2HE2 GLN 72 16.057 15.581 4.835 580 HE22 GLN 72 1HE2 GLN 72 17.550 15.245 4.021 581 H VAL 73 HN VAL 73 11.850 16.270 -0.578 582 HA VAL 73 HA VAL 73 12.301 18.469 -2.435 583 HB VAL 73 HB VAL 73 10.615 15.941 -2.652 584 HG11 VAL 73 1HG1 VAL 73 10.589 16.416 -5.077 585 HG12 VAL 73 2HG1 VAL 73 9.788 17.715 -4.162 586 HG13 VAL 73 3HG1 VAL 73 11.439 17.952 -4.786 587 HG21 VAL 73 3HG2 VAL 73 12.984 15.491 -2.412 588 HG22 VAL 73 1HG2 VAL 73 12.435 15.131 -4.066 589 HG23 VAL 73 2HG2 VAL 73 13.351 16.620 -3.738 590 H LEU 74 HN LEU 74 9.395 17.239 -0.800 591 HA LEU 74 HA LEU 74 7.704 19.268 -2.032 592 HB2 LEU 74 1HB LEU 74 6.059 18.539 -0.683 593 HB3 LEU 74 2HB LEU 74 6.823 17.026 -1.221 594 HG LEU 74 HG LEU 74 8.132 17.263 1.069 595 HD11 LEU 74 1HD1 LEU 74 6.652 18.222 2.855 596 HD12 LEU 74 2HD1 LEU 74 7.113 19.460 1.663 597 HD13 LEU 74 3HD1 LEU 74 5.493 18.724 1.602 598 HD21 LEU 74 3HD2 LEU 74 6.735 15.379 0.456 599 HD22 LEU 74 1HD2 LEU 74 6.427 15.838 2.147 600 HD23 LEU 74 2HD2 LEU 74 5.268 16.294 0.876 601 H ARG 75 HN ARG 75 9.914 19.267 0.564 602 HA ARG 75 HA ARG 75 8.709 21.477 2.036 603 HB2 ARG 75 1HB ARG 75 10.234 19.935 3.076 604 HB3 ARG 75 2HB ARG 75 11.538 20.522 2.019 605 HG2 ARG 75 1HG ARG 75 11.408 22.731 3.011 606 HG3 ARG 75 2HG ARG 75 10.004 22.243 3.991 607 HD2 ARG 75 1HD ARG 75 11.391 20.673 5.195 608 HD3 ARG 75 2HD ARG 75 12.793 21.156 4.214 609 HE ARG 75 HE ARG 75 11.796 23.487 5.654 610 HH11 ARG 75 1HH1 ARG 75 13.466 20.486 6.255 611 HH12 ARG 75 2HH1 ARG 75 14.283 21.208 7.628 612 HH21 ARG 75 1HH2 ARG 75 12.718 24.327 7.227 613 HH22 ARG 75 2HH2 ARG 75 13.856 23.398 8.184 614 H ALA 76 HN ALA 76 10.955 21.176 -0.665 615 HA ALA 76 HA ALA 76 11.664 23.986 -0.671 616 HB1 ALA 76 3HB ALA 76 11.862 21.888 -2.860 617 HB2 ALA 76 1HB ALA 76 12.630 23.493 -2.885 618 HB3 ALA 76 2HB ALA 76 13.127 22.288 -1.672 619 H ILE 77 HN ILE 77 9.051 22.093 -1.997 620 HA ILE 77 HA ILE 77 8.065 24.522 -3.473 621 HB ILE 77 HB ILE 77 6.645 22.935 -4.749 622 HG12 ILE 77 1HG1 ILE 77 8.151 20.748 -3.343 623 HG13 ILE 77 2HG1 ILE 77 6.517 21.290 -2.899 624 HG21 ILE 77 1HG2 ILE 77 8.435 21.846 -6.061 625 HG22 ILE 77 2HG2 ILE 77 8.875 23.518 -5.643 626 HG23 ILE 77 3HG2 ILE 77 9.590 22.159 -4.745 627 HD11 ILE 77 3HD1 ILE 77 7.336 20.129 -5.585 628 HD12 ILE 77 1HD1 ILE 77 6.431 19.276 -4.314 629 HD13 ILE 77 2HD1 ILE 77 5.702 20.673 -5.142 630 H ASN 78 HN ASN 78 7.690 22.949 -0.600 631 HA ASN 78 HA ASN 78 6.203 23.503 1.098 632 HB2 ASN 78 1HB ASN 78 6.570 25.994 -0.051 633 HB3 ASN 78 2HB ASN 78 5.029 25.362 -0.682 634 HD21 ASN 78 2HD2 ASN 78 4.346 27.425 0.358 635 HD22 ASN 78 1HD2 ASN 78 3.854 27.349 2.017 636 H GLN 79 HN GLN 79 5.368 21.343 0.032 637 HA GLN 79 HA GLN 79 2.433 21.785 -0.407 638 HB2 GLN 79 1HB GLN 79 4.161 19.446 -1.243 639 HB3 GLN 79 2HB GLN 79 2.409 19.608 -1.504 640 HG2 GLN 79 1HG GLN 79 4.577 21.286 -3.035 641 HG3 GLN 79 2HG GLN 79 3.458 19.947 -3.382 642 HE21 GLN 79 2HE2 GLN 79 3.904 23.328 -3.285 643 HE22 GLN 79 1HE2 GLN 79 2.265 23.803 -3.585 644 H ARG 80 HN ARG 80 2.006 21.908 1.796 645 HA ARG 80 HA ARG 80 2.894 19.927 3.684 646 HB2 ARG 80 1HB ARG 80 0.669 21.904 3.755 647 HB3 ARG 80 2HB ARG 80 1.014 20.756 5.070 648 HG2 ARG 80 1HG ARG 80 3.271 21.703 5.304 649 HG3 ARG 80 2HG ARG 80 2.922 22.853 3.991 650 HD2 ARG 80 1HD ARG 80 1.215 23.889 5.321 651 HD3 ARG 80 2HD ARG 80 1.489 22.708 6.624 652 HE ARG 80 HE ARG 80 3.958 24.170 6.229 653 HH11 ARG 80 1HH1 ARG 80 0.706 24.796 7.320 654 HH12 ARG 80 2HH1 ARG 80 1.297 26.068 8.370 655 HH21 ARG 80 1HH2 ARG 80 4.649 25.628 7.421 656 HH22 ARG 80 2HH2 ARG 80 3.546 26.544 8.429 657 H LEU 81 HN LEU 81 0.184 20.062 1.469 658 HA LEU 81 HA LEU 81 -1.472 18.055 2.547 659 HB2 LEU 81 1HB LEU 81 -2.085 19.315 0.763 660 HB3 LEU 81 2HB LEU 81 -0.820 18.765 -0.360 661 HG LEU 81 HG LEU 81 -1.819 16.449 -0.197 662 HD11 LEU 81 1HD1 LEU 81 -4.193 16.306 0.600 663 HD12 LEU 81 2HD1 LEU 81 -3.100 16.805 1.912 664 HD13 LEU 81 3HD1 LEU 81 -4.115 18.014 1.090 665 HD21 LEU 81 3HD2 LEU 81 -2.202 17.864 -2.128 666 HD22 LEU 81 1HD2 LEU 81 -3.671 16.929 -1.760 667 HD23 LEU 81 2HD2 LEU 81 -3.577 18.650 -1.315 668 H LEU 82 HN LEU 82 1.267 17.602 0.296 669 HA LEU 82 HA LEU 82 1.091 14.728 0.350 670 HB2 LEU 82 1HB LEU 82 2.067 15.875 -1.373 671 HB3 LEU 82 2HB LEU 82 3.371 16.626 -0.423 672 HG LEU 82 HG LEU 82 4.289 14.361 0.043 673 HD11 LEU 82 1HD1 LEU 82 3.455 12.435 -1.331 674 HD12 LEU 82 2HD1 LEU 82 2.178 13.073 -0.269 675 HD13 LEU 82 3HD1 LEU 82 2.183 13.484 -2.001 676 HD21 LEU 82 3HD2 LEU 82 5.203 15.689 -1.769 677 HD22 LEU 82 1HD2 LEU 82 5.219 13.966 -2.212 678 HD23 LEU 82 2HD2 LEU 82 3.982 15.049 -2.893 679 H ALA 83 HN ALA 83 2.927 17.066 2.268 680 HA ALA 83 HA ALA 83 4.652 15.256 3.574 681 HB1 ALA 83 3HB ALA 83 3.358 17.771 4.681 682 HB2 ALA 83 1HB ALA 83 4.777 16.945 5.365 683 HB3 ALA 83 2HB ALA 83 4.874 17.693 3.754 684 H GLU 84 HN GLU 84 1.323 16.201 4.396 685 HA GLU 84 HA GLU 84 1.239 14.740 6.880 686 HB2 GLU 84 1HB GLU 84 -0.906 15.689 4.981 687 HB3 GLU 84 2HB GLU 84 -1.242 14.893 6.538 688 HG2 GLU 84 1HG GLU 84 -0.079 16.802 7.731 689 HG3 GLU 84 2HG GLU 84 0.280 17.430 6.107 690 H GLU 85 HN GLU 85 0.444 13.871 3.542 691 HA GLU 85 HA GLU 85 -0.661 11.278 4.252 692 HB2 GLU 85 1HB GLU 85 0.381 12.474 1.687 693 HB3 GLU 85 2HB GLU 85 -0.258 10.816 1.805 694 HG2 GLU 85 1HG GLU 85 -1.870 13.382 2.352 695 HG3 GLU 85 2HG GLU 85 -1.877 12.318 0.929 696 H LEU 86 HN LEU 86 2.551 12.474 3.434 697 HA LEU 86 HA LEU 86 3.719 9.798 3.319 698 HB2 LEU 86 1HB LEU 86 4.759 12.535 3.620 699 HB3 LEU 86 2HB LEU 86 5.910 11.188 3.465 700 HG LEU 86 HG LEU 86 3.902 12.138 1.387 701 HD11 LEU 86 1HD1 LEU 86 5.960 12.614 0.035 702 HD12 LEU 86 2HD1 LEU 86 5.964 13.529 1.561 703 HD13 LEU 86 3HD1 LEU 86 6.963 12.066 1.397 704 HD21 LEU 86 3HD2 LEU 86 4.044 9.718 1.365 705 HD22 LEU 86 1HD2 LEU 86 4.843 10.386 -0.078 706 HD23 LEU 86 2HD2 LEU 86 5.821 9.794 1.288 707 H HIS 87 HN HIS 87 3.112 12.180 5.812 708 HA HIS 87 HA HIS 87 4.631 10.811 7.869 709 HB2 HIS 87 1HB HIS 87 2.273 12.739 7.991 710 HB3 HIS 87 2HB HIS 87 3.116 12.110 9.427 711 HD1 HIS 87 HD1 HIS 87 3.069 15.071 9.065 712 HD2 HIS 87 HD2 HIS 87 6.161 12.694 7.466 713 HE1 HIS 87 HE1 HIS 87 4.950 16.582 8.678 714 H ARG 88 HN ARG 88 1.304 10.555 6.670 715 HA ARG 88 HA ARG 88 0.504 8.478 8.504 716 HB2 ARG 88 1HB ARG 88 -0.466 9.257 5.801 717 HB3 ARG 88 2HB ARG 88 -1.119 7.883 6.723 718 HG2 ARG 88 1HG ARG 88 -1.884 9.322 8.477 719 HG3 ARG 88 2HG ARG 88 -1.027 10.719 7.782 720 HD2 ARG 88 1HD ARG 88 -2.527 10.863 5.994 721 HD3 ARG 88 2HD ARG 88 -3.252 9.285 6.383 722 HE ARG 88 HE ARG 88 -3.915 10.896 8.608 723 HH11 ARG 88 1HH1 ARG 88 -4.317 11.307 5.169 724 HH12 ARG 88 2HH1 ARG 88 -5.774 12.242 5.446 725 HH21 ARG 88 1HH2 ARG 88 -5.576 11.970 8.942 726 HH22 ARG 88 2HH2 ARG 88 -6.493 12.621 7.598 727 H ALA 89 HN ALA 89 2.120 8.417 5.343 728 HA ALA 89 HA ALA 89 2.294 5.558 5.183 729 HB1 ALA 89 3HB ALA 89 4.127 7.693 4.038 730 HB2 ALA 89 1HB ALA 89 4.102 5.980 3.561 731 HB3 ALA 89 2HB ALA 89 2.688 7.012 3.246 732 H ALA 90 HN ALA 90 4.347 8.017 6.696 733 HA ALA 90 HA ALA 90 6.492 6.234 7.364 734 HB1 ALA 90 3HB ALA 90 5.603 8.810 8.707 735 HB2 ALA 90 1HB ALA 90 7.164 7.994 8.955 736 HB3 ALA 90 2HB ALA 90 6.759 8.674 7.361 737 H ILE 91 HN ILE 91 3.484 7.105 9.003 738 HA ILE 91 HA ILE 91 4.008 5.633 11.439 739 HB ILE 91 HB ILE 91 1.420 6.393 10.017 740 HG12 ILE 91 1HG1 ILE 91 2.603 7.471 12.557 741 HG13 ILE 91 2HG1 ILE 91 2.894 8.175 10.949 742 HG21 ILE 91 1HG2 ILE 91 0.279 5.760 12.116 743 HG22 ILE 91 2HG2 ILE 91 1.084 4.356 11.377 744 HG23 ILE 91 3HG2 ILE 91 1.823 5.169 12.777 745 HD11 ILE 91 3HD1 ILE 91 0.186 7.871 12.294 746 HD12 ILE 91 1HD1 ILE 91 1.107 9.384 12.139 747 HD13 ILE 91 2HD1 ILE 91 0.476 8.573 10.685 748 H GLN 92 HN GLN 92 2.558 4.683 8.349 749 HA GLN 92 HA GLN 92 1.973 1.990 9.234 750 HB2 GLN 92 1HB GLN 92 2.362 3.206 6.493 751 HB3 GLN 92 2HB GLN 92 1.844 1.528 6.781 752 HG2 GLN 92 1HG GLN 92 -0.359 2.557 7.934 753 HG3 GLN 92 2HG GLN 92 0.613 4.011 7.608 754 HE21 GLN 92 2HE2 GLN 92 -1.597 4.507 6.601 755 HE22 GLN 92 1HE2 GLN 92 -1.778 4.111 4.925 756 H LEU 93 HN LEU 93 4.764 3.527 7.725 757 HA LEU 93 HA LEU 93 6.208 1.089 7.203 758 HB2 LEU 93 1HB LEU 93 6.917 3.893 7.713 759 HB3 LEU 93 2HB LEU 93 8.236 2.761 7.332 760 HG LEU 93 HG LEU 93 5.882 3.437 5.524 761 HD11 LEU 93 1HD1 LEU 93 7.616 4.549 4.092 762 HD12 LEU 93 2HD1 LEU 93 7.531 5.297 5.704 763 HD13 LEU 93 3HD1 LEU 93 8.850 4.166 5.317 764 HD21 LEU 93 3HD2 LEU 93 6.630 1.149 5.234 765 HD22 LEU 93 1HD2 LEU 93 7.095 2.123 3.819 766 HD23 LEU 93 2HD2 LEU 93 8.314 1.693 5.043 Start of MODEL 3 1 H THR 4 1H THR 4 -1.065 0.046 -0.380 2 HA THR 4 HA THR 4 1.592 -0.023 0.672 3 HB THR 4 HB THR 4 2.351 -0.008 -1.661 4 HG1 THR 4 HG1 THR 4 1.184 0.958 -3.136 5 HG21 THR 4 3HG2 THR 4 -0.223 -1.597 -1.316 6 HG22 THR 4 1HG2 THR 4 1.054 -1.931 -2.509 7 HG23 THR 4 2HG2 THR 4 1.392 -2.103 -0.769 8 HA PRO 5 HA PRO 5 2.869 4.157 0.911 9 HB2 PRO 5 1HB PRO 5 5.523 3.892 0.099 10 HB3 PRO 5 2HB PRO 5 4.982 3.389 1.706 11 HG2 PRO 5 1HG PRO 5 5.396 1.701 -0.782 12 HG3 PRO 5 2HG PRO 5 5.882 1.363 0.885 13 HD2 PRO 5 1HD PRO 5 3.649 0.212 -0.147 14 HD3 PRO 5 2HD PRO 5 3.675 0.735 1.542 15 H SER 6 HN SER 6 3.168 2.330 -2.042 16 HA SER 6 HA SER 6 3.920 4.531 -3.803 17 HB2 SER 6 1HB SER 6 3.412 3.151 -5.549 18 HB3 SER 6 2HB SER 6 4.301 2.241 -4.307 19 HG SER 6 HG SER 6 2.382 1.223 -5.314 20 H ASP 7 HN ASP 7 0.882 3.296 -2.462 21 HA ASP 7 HA ASP 7 -0.836 4.887 -4.200 22 HB2 ASP 7 1HB ASP 7 -1.385 3.491 -1.513 23 HB3 ASP 7 2HB ASP 7 -2.474 4.499 -2.496 24 H HIS 8 HN HIS 8 0.727 5.378 -1.077 25 HA HIS 8 HA HIS 8 -0.619 7.915 -0.572 26 HB2 HIS 8 1HB HIS 8 1.898 6.659 0.610 27 HB3 HIS 8 2HB HIS 8 1.173 8.183 1.175 28 HD1 HIS 8 HD1 HIS 8 -1.474 7.877 1.933 29 HD2 HIS 8 HD2 HIS 8 0.921 4.410 1.982 30 HE1 HIS 8 HE1 HIS 8 -2.579 6.317 3.454 31 H LEU 9 HN LEU 9 2.408 6.928 -2.105 32 HA LEU 9 HA LEU 9 3.410 9.589 -2.545 33 HB2 LEU 9 1HB LEU 9 3.658 7.022 -3.960 34 HB3 LEU 9 2HB LEU 9 4.667 8.391 -4.485 35 HG LEU 9 HG LEU 9 4.730 7.080 -1.739 36 HD11 LEU 9 1HD1 LEU 9 6.995 6.265 -2.447 37 HD12 LEU 9 2HD1 LEU 9 5.720 5.639 -3.517 38 HD13 LEU 9 3HD1 LEU 9 6.740 6.997 -4.048 39 HD21 LEU 9 3HD2 LEU 9 5.245 9.447 -1.640 40 HD22 LEU 9 1HD2 LEU 9 6.720 8.492 -1.354 41 HD23 LEU 9 2HD2 LEU 9 6.453 9.268 -2.935 42 H LEU 10 HN LEU 10 1.357 7.460 -4.527 43 HA LEU 10 HA LEU 10 1.040 9.278 -6.709 44 HB2 LEU 10 1HB LEU 10 0.502 7.087 -6.897 45 HB3 LEU 10 2HB LEU 10 -0.741 7.036 -5.626 46 HG LEU 10 HG LEU 10 -2.131 8.600 -6.992 47 HD11 LEU 10 1HD1 LEU 10 -1.529 8.893 -9.410 48 HD12 LEU 10 2HD1 LEU 10 -0.284 9.588 -8.345 49 HD13 LEU 10 3HD1 LEU 10 -0.011 8.011 -9.122 50 HD21 LEU 10 3HD2 LEU 10 -2.558 6.213 -7.045 51 HD22 LEU 10 1HD2 LEU 10 -2.853 6.918 -8.653 52 HD23 LEU 10 2HD2 LEU 10 -1.360 5.998 -8.343 53 H SER 11 HN SER 11 -0.836 8.887 -3.713 54 HA SER 11 HA SER 11 -2.999 10.647 -4.192 55 HB2 SER 11 1HB SER 11 -1.532 10.090 -1.688 56 HB3 SER 11 2HB SER 11 -3.043 11.015 -1.835 57 HG SER 11 HG SER 11 -3.399 8.799 -1.384 58 H THR 12 HN THR 12 0.289 11.381 -2.952 59 HA THR 12 HA THR 12 -0.334 14.209 -2.580 60 HB THR 12 HB THR 12 2.086 14.433 -2.077 61 HG1 THR 12 HG1 THR 12 3.348 12.480 -2.130 62 HG21 THR 12 3HG2 THR 12 0.794 11.999 -0.782 63 HG22 THR 12 1HG2 THR 12 2.145 12.941 -0.109 64 HG23 THR 12 2HG2 THR 12 0.541 13.693 -0.295 65 H LEU 13 HN LEU 13 0.970 12.264 -5.158 66 HA LEU 13 HA LEU 13 1.997 14.589 -6.634 67 HB2 LEU 13 1HB LEU 13 1.474 11.761 -7.262 68 HB3 LEU 13 2HB LEU 13 2.221 12.798 -8.499 69 HG LEU 13 HG LEU 13 3.403 12.066 -5.792 70 HD11 LEU 13 1HD1 LEU 13 5.128 10.873 -7.167 71 HD12 LEU 13 2HD1 LEU 13 3.500 10.221 -7.464 72 HD13 LEU 13 3HD1 LEU 13 4.245 11.327 -8.642 73 HD21 LEU 13 3HD2 LEU 13 3.989 14.334 -6.422 74 HD22 LEU 13 1HD2 LEU 13 5.415 13.277 -6.563 75 HD23 LEU 13 2HD2 LEU 13 4.530 13.780 -8.024 76 H GLU 14 HN GLU 14 -0.988 12.803 -6.403 77 HA GLU 14 HA GLU 14 -2.180 14.025 -8.773 78 HB2 GLU 14 1HB GLU 14 -3.300 12.619 -6.352 79 HB3 GLU 14 2HB GLU 14 -4.314 13.289 -7.652 80 HG2 GLU 14 1HG GLU 14 -3.173 11.716 -9.293 81 HG3 GLU 14 2HG GLU 14 -2.194 11.197 -7.903 82 H GLU 15 HN GLU 15 -1.961 14.825 -5.346 83 HA GLU 15 HA GLU 15 -3.831 17.023 -5.430 84 HB2 GLU 15 1HB GLU 15 -1.490 16.367 -3.645 85 HB3 GLU 15 2HB GLU 15 -2.535 17.788 -3.411 86 HG2 GLU 15 1HG GLU 15 -3.426 14.848 -3.219 87 HG3 GLU 15 2HG GLU 15 -3.169 16.061 -1.943 88 H LEU 16 HN LEU 16 -0.449 16.699 -6.296 89 HA LEU 16 HA LEU 16 -0.004 19.569 -6.556 90 HB2 LEU 16 1HB LEU 16 1.300 17.153 -7.625 91 HB3 LEU 16 2HB LEU 16 2.056 18.742 -7.887 92 HG LEU 16 HG LEU 16 1.588 17.372 -5.210 93 HD11 LEU 16 1HD1 LEU 16 4.094 17.315 -5.106 94 HD12 LEU 16 2HD1 LEU 16 3.485 16.418 -6.516 95 HD13 LEU 16 3HD1 LEU 16 4.161 18.051 -6.725 96 HD21 LEU 16 3HD2 LEU 16 1.304 19.773 -5.022 97 HD22 LEU 16 1HD2 LEU 16 2.822 19.279 -4.237 98 HD23 LEU 16 2HD2 LEU 16 2.859 20.051 -5.841 99 H VAL 17 HN VAL 17 -0.275 20.904 -8.198 100 HA VAL 17 HA VAL 17 -1.669 19.988 -10.635 101 HB VAL 17 HB VAL 17 -1.496 22.321 -11.344 102 HG11 VAL 17 1HG1 VAL 17 -2.711 23.408 -9.485 103 HG12 VAL 17 2HG1 VAL 17 -3.290 21.745 -9.743 104 HG13 VAL 17 3HG1 VAL 17 -2.194 22.107 -8.386 105 HG21 VAL 17 3HG2 VAL 17 0.762 22.779 -10.596 106 HG22 VAL 17 1HG2 VAL 17 -0.369 24.006 -9.979 107 HG23 VAL 17 2HG2 VAL 17 0.231 22.725 -8.898 108 HA PRO 18 HA PRO 18 1.349 18.939 -13.427 109 HB2 PRO 18 1HB PRO 18 0.517 21.349 -15.121 110 HB3 PRO 18 2HB PRO 18 0.723 19.666 -15.627 111 HG2 PRO 18 1HG PRO 18 -1.736 20.619 -15.257 112 HG3 PRO 18 2HG PRO 18 -1.350 18.989 -14.693 113 HD2 PRO 18 1HD PRO 18 -1.681 21.531 -13.074 114 HD3 PRO 18 2HD PRO 18 -2.095 19.870 -12.633 115 H TYR 19 HN TYR 19 1.210 22.433 -12.814 116 HA TYR 19 HA TYR 19 3.950 22.929 -13.557 117 HB2 TYR 19 1HB TYR 19 2.285 24.697 -13.378 118 HB3 TYR 19 2HB TYR 19 2.116 24.373 -11.635 119 HD1 TYR 19 HD1 TYR 19 4.530 25.534 -14.231 120 HD2 TYR 19 HD2 TYR 19 3.572 25.400 -10.078 121 HE1 TYR 19 HE1 TYR 19 6.366 27.131 -13.763 122 HE2 TYR 19 HE2 TYR 19 5.399 26.993 -9.594 123 HH TYR 19 HH TYR 19 7.086 28.257 -10.456 124 H ASP 20 HN ASP 20 2.425 22.337 -10.382 125 HA ASP 20 HA ASP 20 4.975 22.463 -8.984 126 HB2 ASP 20 1HB ASP 20 2.210 21.446 -8.092 127 HB3 ASP 20 2HB ASP 20 3.747 21.453 -7.193 128 H PHE 21 HN PHE 21 3.253 19.995 -10.693 129 HA PHE 21 HA PHE 21 4.599 17.735 -9.462 130 HB2 PHE 21 1HB PHE 21 2.488 17.473 -10.737 131 HB3 PHE 21 2HB PHE 21 3.318 18.003 -12.217 132 HD1 PHE 21 HD1 PHE 21 3.490 15.408 -9.546 133 HD2 PHE 21 HD2 PHE 21 4.247 16.458 -13.618 134 HE1 PHE 21 HE1 PHE 21 4.119 13.067 -10.031 135 HE2 PHE 21 HE2 PHE 21 4.874 14.117 -14.107 136 HZ PHE 21 HZ PHE 21 4.812 12.422 -12.311 137 H GLU 22 HN GLU 22 5.230 19.694 -12.368 138 HA GLU 22 HA GLU 22 7.723 18.309 -12.968 139 HB2 GLU 22 1HB GLU 22 6.594 20.985 -13.796 140 HB3 GLU 22 2HB GLU 22 8.138 20.324 -14.387 141 HG2 GLU 22 1HG GLU 22 5.363 19.085 -14.880 142 HG3 GLU 22 2HG GLU 22 6.412 20.013 -15.978 143 H LYS 23 HN LYS 23 6.821 21.133 -11.054 144 HA LYS 23 HA LYS 23 9.499 21.976 -10.428 145 HB2 LYS 23 1HB LYS 23 7.456 23.297 -10.012 146 HB3 LYS 23 2HB LYS 23 6.992 22.133 -8.748 147 HG2 LYS 23 1HG LYS 23 8.955 22.727 -7.432 148 HG3 LYS 23 2HG LYS 23 9.516 23.821 -8.718 149 HD2 LYS 23 1HD LYS 23 7.512 25.211 -8.423 150 HD3 LYS 23 2HD LYS 23 6.929 24.109 -7.153 151 HE2 LYS 23 1HE LYS 23 8.881 24.628 -5.778 152 HE3 LYS 23 2HE LYS 23 9.520 25.686 -7.057 153 HZ1 LYS 23 3HZ LYS 23 6.999 26.107 -5.583 154 HZ2 LYS 23 1HZ LYS 23 8.402 26.939 -5.340 155 HZ3 LYS 23 2HZ LYS 23 7.591 27.088 -6.770 156 H PHE 24 HN PHE 24 7.328 19.605 -8.910 157 HA PHE 24 HA PHE 24 9.012 18.813 -6.772 158 HB2 PHE 24 1HB PHE 24 6.703 17.974 -7.047 159 HB3 PHE 24 2HB PHE 24 7.196 17.079 -8.502 160 HD1 PHE 24 HD2 PHE 24 8.536 15.086 -8.347 161 HD2 PHE 24 HD1 PHE 24 7.293 17.214 -4.857 162 HE1 PHE 24 HE2 PHE 24 9.104 13.126 -6.952 163 HE2 PHE 24 HE1 PHE 24 7.864 15.256 -3.458 164 HZ PHE 24 HZ PHE 24 8.770 13.213 -4.506 165 H LYS 25 HN LYS 25 9.008 17.714 -10.160 166 HA LYS 25 HA LYS 25 11.120 15.808 -9.872 167 HB2 LYS 25 1HB LYS 25 10.236 17.501 -12.210 168 HB3 LYS 25 2HB LYS 25 11.467 16.221 -12.313 169 HG2 LYS 25 1HG LYS 25 9.832 14.536 -11.688 170 HG3 LYS 25 2HG LYS 25 8.594 15.790 -11.434 171 HD2 LYS 25 1HD LYS 25 8.667 16.382 -13.802 172 HD3 LYS 25 2HD LYS 25 9.964 15.196 -14.078 173 HE2 LYS 25 1HE LYS 25 8.482 13.370 -13.481 174 HE3 LYS 25 2HE LYS 25 7.191 14.516 -13.058 175 HZ1 LYS 25 3HZ LYS 25 8.333 14.139 -15.751 176 HZ2 LYS 25 1HZ LYS 25 6.866 13.579 -15.245 177 HZ3 LYS 25 2HZ LYS 25 7.134 15.202 -15.360 178 H PHE 26 HN PHE 26 11.185 19.292 -10.539 179 HA PHE 26 HA PHE 26 13.976 19.516 -11.066 180 HB2 PHE 26 1HB PHE 26 12.339 21.355 -11.449 181 HB3 PHE 26 2HB PHE 26 12.148 21.533 -9.690 182 HD1 PHE 26 HD1 PHE 26 14.627 21.740 -12.445 183 HD2 PHE 26 HD2 PHE 26 13.568 22.881 -8.468 184 HE1 PHE 26 HE1 PHE 26 16.511 23.340 -12.405 185 HE2 PHE 26 HE2 PHE 26 15.450 24.485 -8.425 186 HZ PHE 26 HZ PHE 26 16.923 24.712 -10.394 187 H LYS 27 HN LYS 27 12.206 19.683 -7.977 188 HA LYS 27 HA LYS 27 14.727 20.049 -6.495 189 HB2 LYS 27 1HB LYS 27 11.870 19.623 -5.607 190 HB3 LYS 27 2HB LYS 27 13.246 19.918 -4.517 191 HG2 LYS 27 1HG LYS 27 12.249 21.833 -6.656 192 HG3 LYS 27 2HG LYS 27 11.893 21.958 -4.917 193 HD2 LYS 27 1HD LYS 27 14.345 22.102 -4.474 194 HD3 LYS 27 2HD LYS 27 14.626 22.113 -6.232 195 HE2 LYS 27 1HE LYS 27 13.286 24.160 -6.437 196 HE3 LYS 27 2HE LYS 27 12.994 24.149 -4.683 197 HZ1 LYS 27 3HZ LYS 27 15.630 24.416 -5.980 198 HZ2 LYS 27 1HZ LYS 27 14.779 25.641 -5.278 199 HZ3 LYS 27 2HZ LYS 27 15.359 24.405 -4.353 200 H LEU 28 HN LEU 28 12.747 17.427 -7.549 201 HA LEU 28 HA LEU 28 13.553 15.472 -5.605 202 HB2 LEU 28 1HB LEU 28 11.755 15.199 -7.011 203 HB3 LEU 28 2HB LEU 28 12.680 15.181 -8.531 204 HG LEU 28 HG LEU 28 13.855 13.118 -7.697 205 HD11 LEU 28 1HD1 LEU 28 12.748 11.850 -5.837 206 HD12 LEU 28 2HD1 LEU 28 13.360 13.422 -5.273 207 HD13 LEU 28 3HD1 LEU 28 11.624 13.208 -5.602 208 HD21 LEU 28 3HD2 LEU 28 12.056 12.971 -9.316 209 HD22 LEU 28 1HD2 LEU 28 11.981 11.588 -8.198 210 HD23 LEU 28 2HD2 LEU 28 10.845 12.947 -8.012 211 H GLN 29 HN GLN 29 14.991 16.490 -8.691 212 HA GLN 29 HA GLN 29 17.214 14.628 -8.483 213 HB2 GLN 29 1HB GLN 29 16.785 17.171 -10.059 214 HB3 GLN 29 2HB GLN 29 18.237 16.151 -10.192 215 HG2 GLN 29 1HG GLN 29 16.592 14.202 -11.081 216 HG3 GLN 29 2HG GLN 29 15.459 15.512 -10.671 217 HE21 GLN 29 2HE2 GLN 29 15.645 14.217 -13.203 218 HE22 GLN 29 1HE2 GLN 29 16.149 15.398 -14.366 219 H ASN 30 HN ASN 30 16.605 17.909 -7.379 220 HA ASN 30 HA ASN 30 19.384 18.501 -6.777 221 HB2 ASN 30 1HB ASN 30 16.849 19.977 -5.736 222 HB3 ASN 30 2HB ASN 30 18.600 20.107 -5.443 223 HD21 ASN 30 2HD2 ASN 30 16.643 21.960 -6.663 224 HD22 ASN 30 1HD2 ASN 30 17.298 22.360 -8.216 225 H THR 31 HN THR 31 16.666 17.209 -4.904 226 HA THR 31 HA THR 31 18.035 17.241 -2.368 227 HB THR 31 HB THR 31 15.796 15.412 -3.332 228 HG1 THR 31 HG1 THR 31 15.730 17.889 -1.900 229 HG21 THR 31 3HG2 THR 31 16.731 16.151 -0.531 230 HG22 THR 31 1HG2 THR 31 15.317 15.145 -0.923 231 HG23 THR 31 2HG2 THR 31 16.956 14.571 -1.318 232 H SER 32 HN SER 32 19.514 16.021 -1.501 233 HA SER 32 HA SER 32 20.977 14.116 -3.192 234 HB2 SER 32 1HB SER 32 22.510 13.986 -1.517 235 HB3 SER 32 2HB SER 32 22.038 15.685 -1.743 236 HG SER 32 HG SER 32 22.172 15.087 0.463 237 H VAL 33 HN VAL 33 21.478 11.948 -2.580 238 HA VAL 33 HA VAL 33 19.527 10.592 -0.743 239 HB VAL 33 HB VAL 33 19.268 8.762 -2.369 240 HG11 VAL 33 1HG1 VAL 33 17.813 9.922 -3.998 241 HG12 VAL 33 2HG1 VAL 33 17.586 10.574 -2.357 242 HG13 VAL 33 3HG1 VAL 33 18.550 11.478 -3.548 243 HG21 VAL 33 3HG2 VAL 33 21.369 9.002 -3.551 244 HG22 VAL 33 1HG2 VAL 33 20.000 9.013 -4.687 245 HG23 VAL 33 2HG2 VAL 33 20.816 10.536 -4.262 246 H GLN 34 HN GLN 34 20.145 8.216 -0.541 247 HA GLN 34 HA GLN 34 22.786 8.305 0.692 248 HB2 GLN 34 1HB GLN 34 20.837 6.025 0.290 249 HB3 GLN 34 2HB GLN 34 22.296 5.978 1.309 250 HG2 GLN 34 1HG GLN 34 19.740 7.678 1.994 251 HG3 GLN 34 2HG GLN 34 20.490 6.162 2.547 252 HE21 GLN 34 2HE2 GLN 34 20.290 9.521 2.962 253 HE22 GLN 34 1HE2 GLN 34 21.649 9.730 4.017 254 H LYS 35 HN LYS 35 24.528 6.907 0.338 255 HA LYS 35 HA LYS 35 25.184 6.629 -2.478 256 HB2 LYS 35 1HB LYS 35 26.530 5.680 0.054 257 HB3 LYS 35 2HB LYS 35 27.207 5.467 -1.579 258 HG2 LYS 35 1HG LYS 35 27.273 7.907 -1.876 259 HG3 LYS 35 2HG LYS 35 26.586 8.127 -0.250 260 HD2 LYS 35 1HD LYS 35 28.545 7.026 0.740 261 HD3 LYS 35 2HD LYS 35 29.230 6.774 -0.884 262 HE2 LYS 35 1HE LYS 35 29.319 9.201 -1.232 263 HE3 LYS 35 2HE LYS 35 28.617 9.462 0.382 264 HZ1 LYS 35 3HZ LYS 35 31.211 8.171 -0.172 265 HZ2 LYS 35 1HZ LYS 35 31.007 9.704 0.400 266 HZ3 LYS 35 2HZ LYS 35 30.562 8.413 1.325 267 H GLU 36 HN GLU 36 23.730 4.557 -0.114 268 HA GLU 36 HA GLU 36 24.332 2.064 -1.509 269 HB2 GLU 36 1HB GLU 36 22.284 2.810 0.583 270 HB3 GLU 36 2HB GLU 36 22.529 1.163 -0.046 271 HG2 GLU 36 1HG GLU 36 24.892 1.201 0.882 272 HG3 GLU 36 2HG GLU 36 24.527 2.869 1.380 273 H HIS 37 HN HIS 37 22.136 4.627 -2.027 274 HA HIS 37 HA HIS 37 20.058 3.013 -3.304 275 HB2 HIS 37 1HB HIS 37 20.609 6.015 -3.303 276 HB3 HIS 37 2HB HIS 37 19.186 5.248 -4.048 277 HD1 HIS 37 HD1 HIS 37 18.632 7.250 -1.935 278 HD2 HIS 37 HD2 HIS 37 19.224 3.245 -0.934 279 HE1 HIS 37 HE1 HIS 37 17.554 6.983 0.202 280 H SER 38 HN SER 38 19.469 3.024 -5.486 281 HA SER 38 HA SER 38 21.750 2.767 -7.348 282 HB2 SER 38 1HB SER 38 18.836 2.438 -7.730 283 HB3 SER 38 2HB SER 38 20.111 2.150 -8.936 284 HG SER 38 HG SER 38 19.507 0.249 -7.811 285 H ARG 39 HN ARG 39 22.066 3.969 -9.221 286 HA ARG 39 HA ARG 39 21.279 6.807 -8.986 287 HB2 ARG 39 1HB ARG 39 23.088 5.449 -10.935 288 HB3 ARG 39 2HB ARG 39 22.765 7.194 -10.825 289 HG2 ARG 39 1HG ARG 39 23.770 7.291 -8.623 290 HG3 ARG 39 2HG ARG 39 23.981 5.523 -8.607 291 HD2 ARG 39 1HD ARG 39 25.300 7.377 -10.562 292 HD3 ARG 39 2HD ARG 39 26.031 6.818 -9.039 293 HE ARG 39 HE ARG 39 25.436 4.453 -10.550 294 HH11 ARG 39 1HH1 ARG 39 27.415 7.291 -10.986 295 HH12 ARG 39 2HH1 ARG 39 28.551 6.359 -11.941 296 HH21 ARG 39 1HH2 ARG 39 26.724 3.375 -11.648 297 HH22 ARG 39 2HH2 ARG 39 28.158 4.126 -12.320 298 H ILE 40 HN ILE 40 19.280 7.242 -9.569 299 HA ILE 40 HA ILE 40 17.985 5.895 -11.834 300 HB ILE 40 HB ILE 40 16.720 6.767 -9.816 301 HG12 ILE 40 1HG1 ILE 40 15.876 8.027 -12.411 302 HG13 ILE 40 2HG1 ILE 40 15.731 6.293 -12.040 303 HG21 ILE 40 1HG2 ILE 40 16.247 9.193 -9.734 304 HG22 ILE 40 2HG2 ILE 40 17.984 8.872 -9.526 305 HG23 ILE 40 3HG2 ILE 40 17.369 9.458 -11.090 306 HD11 ILE 40 3HD1 ILE 40 14.405 8.556 -10.507 307 HD12 ILE 40 1HD1 ILE 40 13.599 7.466 -11.657 308 HD13 ILE 40 2HD1 ILE 40 14.260 6.822 -10.135 309 HA PRO 41 HA PRO 41 19.647 8.384 -15.077 310 HB2 PRO 41 1HB PRO 41 17.151 7.267 -16.408 311 HB3 PRO 41 2HB PRO 41 18.817 7.259 -17.004 312 HG2 PRO 41 1HG PRO 41 17.749 5.001 -16.066 313 HG3 PRO 41 2HG PRO 41 19.428 5.396 -15.676 314 HD2 PRO 41 1HD PRO 41 16.955 5.658 -13.918 315 HD3 PRO 41 2HD PRO 41 18.581 5.123 -13.473 316 H ARG 42 HN ARG 42 19.229 10.301 -15.947 317 HA ARG 42 HA ARG 42 17.386 11.953 -14.477 318 HB2 ARG 42 1HB ARG 42 18.992 12.476 -16.932 319 HB3 ARG 42 2HB ARG 42 17.937 13.675 -16.147 320 HG2 ARG 42 1HG ARG 42 19.257 13.551 -14.108 321 HG3 ARG 42 2HG ARG 42 20.269 12.266 -14.811 322 HD2 ARG 42 1HD ARG 42 21.075 13.827 -16.480 323 HD3 ARG 42 2HD ARG 42 20.076 15.109 -15.757 324 HE ARG 42 HE ARG 42 21.885 14.234 -13.701 325 HH11 ARG 42 1HH1 ARG 42 22.145 15.684 -16.861 326 HH12 ARG 42 2HH1 ARG 42 23.619 16.497 -16.374 327 HH21 ARG 42 1HH2 ARG 42 23.576 15.151 -13.130 328 HH22 ARG 42 2HH2 ARG 42 24.436 16.194 -14.247 329 H SER 43 HN SER 43 17.122 10.193 -17.486 330 HA SER 43 HA SER 43 14.809 11.596 -18.580 331 HB2 SER 43 1HB SER 43 14.625 9.876 -20.074 332 HB3 SER 43 2HB SER 43 16.333 10.336 -19.894 333 HG SER 43 HG SER 43 16.023 8.068 -19.930 334 H GLN 44 HN GLN 44 15.307 9.008 -16.221 335 HA GLN 44 HA GLN 44 12.640 7.923 -16.309 336 HB2 GLN 44 1HB GLN 44 14.763 7.973 -14.158 337 HB3 GLN 44 2HB GLN 44 13.223 7.094 -14.012 338 HG2 GLN 44 1HG GLN 44 15.298 6.342 -16.251 339 HG3 GLN 44 2HG GLN 44 15.144 5.884 -14.539 340 HE21 GLN 44 2HE2 GLN 44 14.652 3.740 -14.907 341 HE22 GLN 44 1HE2 GLN 44 13.170 3.221 -15.638 342 H ILE 45 HN ILE 45 14.148 10.368 -14.198 343 HA ILE 45 HA ILE 45 11.643 10.973 -12.824 344 HB ILE 45 HB ILE 45 14.287 12.471 -13.078 345 HG12 ILE 45 1HG1 ILE 45 13.052 11.077 -10.719 346 HG13 ILE 45 2HG1 ILE 45 14.241 10.345 -11.821 347 HG21 ILE 45 1HG2 ILE 45 13.425 13.954 -11.298 348 HG22 ILE 45 2HG2 ILE 45 12.426 14.068 -12.765 349 HG23 ILE 45 3HG2 ILE 45 11.851 13.126 -11.370 350 HD11 ILE 45 3HD1 ILE 45 14.692 12.812 -10.104 351 HD12 ILE 45 1HD1 ILE 45 15.324 11.183 -9.773 352 HD13 ILE 45 2HD1 ILE 45 15.880 12.079 -11.207 353 H GLN 46 HN GLN 46 13.391 12.457 -15.530 354 HA GLN 46 HA GLN 46 11.707 14.724 -15.808 355 HB2 GLN 46 1HB GLN 46 13.859 14.387 -16.967 356 HB3 GLN 46 2HB GLN 46 13.102 13.122 -17.962 357 HG2 GLN 46 1HG GLN 46 12.953 15.241 -19.427 358 HG3 GLN 46 2HG GLN 46 11.487 14.703 -18.573 359 HE21 GLN 46 2HE2 GLN 46 10.562 16.775 -18.712 360 HE22 GLN 46 1HE2 GLN 46 11.112 18.088 -17.726 361 H ARG 47 HN ARG 47 11.320 11.426 -17.031 362 HA ARG 47 HA ARG 47 8.772 12.279 -18.352 363 HB2 ARG 47 1HB ARG 47 10.483 9.873 -18.786 364 HB3 ARG 47 2HB ARG 47 8.874 10.134 -19.500 365 HG2 ARG 47 1HG ARG 47 9.708 12.153 -20.634 366 HG3 ARG 47 2HG ARG 47 11.319 11.880 -19.927 367 HD2 ARG 47 1HD ARG 47 11.361 9.700 -21.117 368 HD3 ARG 47 2HD ARG 47 9.873 10.208 -21.950 369 HE ARG 47 HE ARG 47 12.581 11.235 -22.611 370 HH11 ARG 47 1HH1 ARG 47 9.149 11.779 -22.898 371 HH12 ARG 47 2HH1 ARG 47 9.425 12.843 -24.263 372 HH21 ARG 47 1HH2 ARG 47 12.914 12.444 -24.179 373 HH22 ARG 47 2HH2 ARG 47 11.572 13.222 -24.995 374 H ALA 48 HN ALA 48 9.433 11.559 -15.409 375 HA ALA 48 HA ALA 48 7.969 9.132 -14.888 376 HB1 ALA 48 3HB ALA 48 8.610 11.471 -13.059 377 HB2 ALA 48 1HB ALA 48 8.018 9.876 -12.539 378 HB3 ALA 48 2HB ALA 48 9.617 10.024 -13.306 379 H ARG 49 HN ARG 49 5.886 8.721 -14.694 380 HA ARG 49 HA ARG 49 3.952 10.977 -14.730 381 HB2 ARG 49 1HB ARG 49 3.544 8.025 -14.885 382 HB3 ARG 49 2HB ARG 49 2.253 9.249 -14.841 383 HG2 ARG 49 1HG ARG 49 3.229 10.248 -16.923 384 HG3 ARG 49 2HG ARG 49 4.355 8.870 -16.994 385 HD2 ARG 49 1HD ARG 49 2.602 8.444 -18.487 386 HD3 ARG 49 2HD ARG 49 2.378 7.378 -17.080 387 HE ARG 49 HE ARG 49 0.637 9.689 -16.775 388 HH11 ARG 49 1HH1 ARG 49 0.953 6.856 -18.783 389 HH12 ARG 49 2HH1 ARG 49 -0.783 6.817 -19.014 390 HH21 ARG 49 1HH2 ARG 49 -1.352 9.663 -17.036 391 HH22 ARG 49 2HH2 ARG 49 -2.100 8.419 -18.019 392 HA PRO 50 HA PRO 50 2.928 11.173 -10.488 393 HB2 PRO 50 1HB PRO 50 0.079 10.486 -11.339 394 HB3 PRO 50 2HB PRO 50 0.635 11.829 -10.331 395 HG2 PRO 50 1HG PRO 50 -0.072 12.307 -12.852 396 HG3 PRO 50 2HG PRO 50 1.362 13.105 -12.194 397 HD2 PRO 50 1HD PRO 50 1.207 10.724 -14.082 398 HD3 PRO 50 2HD PRO 50 2.360 12.065 -14.079 399 H VAL 51 HN VAL 51 1.648 8.456 -12.357 400 HA VAL 51 HA VAL 51 1.556 6.754 -9.917 401 HB VAL 51 HB VAL 51 1.066 6.119 -12.857 402 HG11 VAL 51 1HG1 VAL 51 0.135 3.996 -11.999 403 HG12 VAL 51 2HG1 VAL 51 1.856 4.158 -11.575 404 HG13 VAL 51 3HG1 VAL 51 0.603 4.458 -10.346 405 HG21 VAL 51 3HG2 VAL 51 -0.611 7.620 -11.959 406 HG22 VAL 51 1HG2 VAL 51 -1.291 5.997 -12.220 407 HG23 VAL 51 2HG2 VAL 51 -0.872 6.532 -10.575 408 H LYS 52 HN LYS 52 3.487 7.030 -12.886 409 HA LYS 52 HA LYS 52 5.005 4.631 -12.309 410 HB2 LYS 52 1HB LYS 52 5.490 6.978 -14.146 411 HB3 LYS 52 2HB LYS 52 6.539 5.544 -14.060 412 HG2 LYS 52 1HG LYS 52 4.644 4.120 -14.739 413 HG3 LYS 52 2HG LYS 52 3.605 5.562 -14.843 414 HD2 LYS 52 1HD LYS 52 5.057 6.496 -16.589 415 HD3 LYS 52 2HD LYS 52 6.119 5.074 -16.476 416 HE2 LYS 52 1HE LYS 52 4.242 3.626 -17.149 417 HE3 LYS 52 2HE LYS 52 3.193 5.057 -17.281 418 HZ1 LYS 52 3HZ LYS 52 5.617 4.557 -18.886 419 HZ2 LYS 52 1HZ LYS 52 4.064 4.394 -19.418 420 HZ3 LYS 52 2HZ LYS 52 4.645 5.884 -19.008 421 H MET 53 HN MET 53 5.318 7.981 -11.392 422 HA MET 53 HA MET 53 8.109 7.983 -10.747 423 HB2 MET 53 1HB MET 53 6.689 9.981 -10.942 424 HB3 MET 53 2HB MET 53 5.833 9.495 -9.459 425 HG2 MET 53 1HG MET 53 7.939 9.693 -8.193 426 HG3 MET 53 2HG MET 53 8.775 10.209 -9.677 427 HE1 MET 53 3HE MET 53 6.985 12.184 -11.150 428 HE2 MET 53 1HE MET 53 7.379 13.736 -10.372 429 HE3 MET 53 2HE MET 53 8.669 12.554 -10.705 430 H ALA 54 HN ALA 54 5.253 7.189 -8.773 431 HA ALA 54 HA ALA 54 6.629 6.684 -6.354 432 HB1 ALA 54 3HB ALA 54 4.157 5.309 -7.463 433 HB2 ALA 54 1HB ALA 54 4.695 5.273 -5.768 434 HB3 ALA 54 2HB ALA 54 4.183 6.809 -6.506 435 H THR 55 HN THR 55 5.949 4.504 -9.086 436 HA THR 55 HA THR 55 7.184 2.186 -7.901 437 HB THR 55 HB THR 55 6.801 2.923 -10.834 438 HG1 THR 55 HG1 THR 55 4.982 1.495 -10.586 439 HG21 THR 55 3HG2 THR 55 7.405 0.249 -9.510 440 HG22 THR 55 1HG2 THR 55 7.065 0.501 -11.238 441 HG23 THR 55 2HG2 THR 55 8.535 1.192 -10.511 442 H LEU 56 HN LEU 56 8.437 4.762 -10.004 443 HA LEU 56 HA LEU 56 11.054 3.656 -10.335 444 HB2 LEU 56 1HB LEU 56 9.937 6.373 -10.259 445 HB3 LEU 56 2HB LEU 56 11.654 6.189 -10.684 446 HG LEU 56 HG LEU 56 9.310 5.002 -12.219 447 HD11 LEU 56 1HD1 LEU 56 9.924 6.675 -13.984 448 HD12 LEU 56 2HD1 LEU 56 9.456 7.478 -12.468 449 HD13 LEU 56 3HD1 LEU 56 11.175 7.332 -12.904 450 HD21 LEU 56 3HD2 LEU 56 11.302 3.628 -12.358 451 HD22 LEU 56 1HD2 LEU 56 11.006 4.428 -13.920 452 HD23 LEU 56 2HD2 LEU 56 12.278 5.038 -12.833 453 H LEU 57 HN LEU 57 9.714 5.791 -7.833 454 HA LEU 57 HA LEU 57 12.222 6.228 -6.492 455 HB2 LEU 57 1HB LEU 57 9.407 6.230 -5.627 456 HB3 LEU 57 2HB LEU 57 10.658 6.852 -4.526 457 HG LEU 57 HG LEU 57 9.984 8.000 -7.262 458 HD11 LEU 57 1HD1 LEU 57 9.036 9.927 -5.966 459 HD12 LEU 57 2HD1 LEU 57 8.178 8.414 -5.595 460 HD13 LEU 57 3HD1 LEU 57 9.380 9.059 -4.453 461 HD21 LEU 57 3HD2 LEU 57 12.313 8.310 -6.661 462 HD22 LEU 57 1HD2 LEU 57 11.453 9.867 -6.583 463 HD23 LEU 57 2HD2 LEU 57 11.845 8.990 -5.083 464 H VAL 58 HN VAL 58 9.669 3.799 -6.065 465 HA VAL 58 HA VAL 58 10.926 2.462 -3.814 466 HB VAL 58 HB VAL 58 8.982 1.475 -5.940 467 HG11 VAL 58 1HG1 VAL 58 8.614 -0.446 -4.430 468 HG12 VAL 58 2HG1 VAL 58 10.298 -0.395 -5.000 469 HG13 VAL 58 3HG1 VAL 58 9.899 0.151 -3.354 470 HG21 VAL 58 3HG2 VAL 58 8.068 3.212 -4.520 471 HG22 VAL 58 1HG2 VAL 58 7.325 1.638 -4.152 472 HG23 VAL 58 2HG2 VAL 58 8.564 2.312 -3.066 473 H THR 59 HN THR 59 11.273 2.133 -7.313 474 HA THR 59 HA THR 59 12.738 -0.351 -7.173 475 HB THR 59 HB THR 59 12.685 1.798 -9.333 476 HG1 THR 59 HG1 THR 59 11.221 0.272 -10.303 477 HG21 THR 59 3HG2 THR 59 13.663 -1.084 -9.421 478 HG22 THR 59 1HG2 THR 59 13.550 0.019 -10.812 479 HG23 THR 59 2HG2 THR 59 14.692 0.365 -9.490 480 H TYR 60 HN TYR 60 13.785 3.053 -7.378 481 HA TYR 60 HA TYR 60 16.595 2.131 -7.611 482 HB2 TYR 60 1HB TYR 60 15.211 4.798 -7.865 483 HB3 TYR 60 2HB TYR 60 16.984 4.634 -7.819 484 HD1 TYR 60 HD2 TYR 60 18.151 3.397 -9.646 485 HD2 TYR 60 HD1 TYR 60 13.981 4.266 -9.850 486 HE1 TYR 60 HE2 TYR 60 18.182 2.929 -12.073 487 HE2 TYR 60 HE1 TYR 60 13.994 3.802 -12.283 488 HH TYR 60 HH TYR 60 16.966 2.823 -13.996 489 H TYR 61 HN TYR 61 14.453 3.687 -5.306 490 HA TYR 61 HA TYR 61 16.814 4.216 -3.532 491 HB2 TYR 61 1HB TYR 61 14.057 5.456 -3.480 492 HB3 TYR 61 2HB TYR 61 15.446 5.885 -2.451 493 HD1 TYR 61 HD2 TYR 61 17.642 6.517 -3.871 494 HD2 TYR 61 HD1 TYR 61 13.635 6.847 -5.291 495 HE1 TYR 61 HE2 TYR 61 18.383 8.177 -5.545 496 HE2 TYR 61 HE1 TYR 61 14.361 8.512 -6.975 497 HH TYR 61 HH TYR 61 17.762 9.552 -7.251 498 H GLY 62 HN GLY 62 13.398 3.176 -3.460 499 HA2 GLY 62 1HA GLY 62 13.329 0.863 -2.278 500 HA3 GLY 62 2HA GLY 62 13.992 1.768 -0.899 501 H GLU 63 HN GLU 63 11.647 0.427 -0.568 502 HA GLU 63 HA GLU 63 9.280 1.912 -1.259 503 HB2 GLU 63 1HB GLU 63 9.874 -0.115 0.897 504 HB3 GLU 63 2HB GLU 63 8.259 0.576 0.606 505 HG2 GLU 63 1HG GLU 63 8.242 -0.448 -1.692 506 HG3 GLU 63 2HG GLU 63 9.920 -0.936 -1.365 507 H GLU 64 HN GLU 64 11.146 1.747 1.783 508 HA GLU 64 HA GLU 64 9.503 3.833 3.012 509 HB2 GLU 64 1HB GLU 64 12.121 2.543 3.792 510 HB3 GLU 64 2HB GLU 64 11.260 3.752 4.775 511 HG2 GLU 64 1HG GLU 64 9.316 2.146 4.999 512 HG3 GLU 64 2HG GLU 64 10.235 1.078 3.915 513 H TYR 65 HN TYR 65 12.531 3.695 1.243 514 HA TYR 65 HA TYR 65 13.334 6.408 1.979 515 HB2 TYR 65 1HB TYR 65 14.239 4.516 -0.198 516 HB3 TYR 65 2HB TYR 65 14.971 6.105 0.133 517 HD1 TYR 65 HD2 TYR 65 15.884 6.478 2.533 518 HD2 TYR 65 HD1 TYR 65 15.046 2.621 0.922 519 HE1 TYR 65 HE2 TYR 65 17.360 5.458 4.235 520 HE2 TYR 65 HE1 TYR 65 16.521 1.582 2.620 521 HH TYR 65 HH TYR 65 18.246 3.529 5.061 522 H ALA 66 HN ALA 66 11.360 4.962 -0.511 523 HA ALA 66 HA ALA 66 11.224 7.252 -2.230 524 HB1 ALA 66 3HB ALA 66 9.147 5.108 -1.671 525 HB2 ALA 66 1HB ALA 66 9.119 6.253 -3.031 526 HB3 ALA 66 2HB ALA 66 10.416 5.040 -2.916 527 H VAL 67 HN VAL 67 9.360 6.293 0.639 528 HA VAL 67 HA VAL 67 7.575 8.605 0.544 529 HB VAL 67 HB VAL 67 8.334 6.705 2.802 530 HG11 VAL 67 1HG1 VAL 67 6.367 7.640 3.972 531 HG12 VAL 67 2HG1 VAL 67 7.591 8.897 3.672 532 HG13 VAL 67 3HG1 VAL 67 6.136 8.810 2.650 533 HG21 VAL 67 3HG2 VAL 67 7.168 5.609 0.984 534 HG22 VAL 67 1HG2 VAL 67 6.123 5.741 2.418 535 HG23 VAL 67 2HG2 VAL 67 5.884 6.842 1.040 536 H GLN 68 HN GLN 68 10.597 7.900 2.267 537 HA GLN 68 HA GLN 68 10.585 10.376 3.745 538 HB2 GLN 68 1HB GLN 68 12.783 8.472 2.919 539 HB3 GLN 68 2HB GLN 68 13.055 9.906 3.938 540 HG2 GLN 68 1HG GLN 68 11.406 8.752 5.734 541 HG3 GLN 68 2HG GLN 68 11.323 7.628 4.356 542 HE21 GLN 68 2HE2 GLN 68 12.011 6.909 7.021 543 HE22 GLN 68 1HE2 GLN 68 13.655 6.358 7.018 544 H LEU 69 HN LEU 69 12.056 9.423 0.652 545 HA LEU 69 HA LEU 69 13.396 11.933 0.216 546 HB2 LEU 69 1HB LEU 69 13.990 9.986 -0.847 547 HB3 LEU 69 2HB LEU 69 12.464 9.757 -1.733 548 HG LEU 69 HG LEU 69 12.912 11.907 -2.937 549 HD11 LEU 69 1HD1 LEU 69 15.251 12.810 -2.868 550 HD12 LEU 69 2HD1 LEU 69 14.477 12.897 -1.268 551 HD13 LEU 69 3HD1 LEU 69 15.659 11.613 -1.615 552 HD21 LEU 69 3HD2 LEU 69 13.410 9.777 -3.984 553 HD22 LEU 69 1HD2 LEU 69 14.632 10.984 -4.451 554 HD23 LEU 69 2HD2 LEU 69 15.021 9.750 -3.229 555 H THR 70 HN THR 70 10.298 10.686 -1.060 556 HA THR 70 HA THR 70 9.536 13.066 -2.420 557 HB THR 70 HB THR 70 7.778 10.998 -1.032 558 HG1 THR 70 HG1 THR 70 9.130 10.180 -2.727 559 HG21 THR 70 3HG2 THR 70 7.117 13.066 -3.165 560 HG22 THR 70 1HG2 THR 70 6.009 11.818 -2.549 561 HG23 THR 70 2HG2 THR 70 6.580 13.114 -1.469 562 H LEU 71 HN LEU 71 9.019 12.096 0.961 563 HA LEU 71 HA LEU 71 7.452 14.307 1.775 564 HB2 LEU 71 1HB LEU 71 7.970 12.329 2.985 565 HB3 LEU 71 2HB LEU 71 9.616 12.860 3.400 566 HG LEU 71 HG LEU 71 7.136 14.451 4.122 567 HD11 LEU 71 1HD1 LEU 71 7.354 13.477 6.424 568 HD12 LEU 71 2HD1 LEU 71 7.009 12.215 5.217 569 HD13 LEU 71 3HD1 LEU 71 8.664 12.425 5.837 570 HD21 LEU 71 3HD2 LEU 71 9.218 15.693 4.090 571 HD22 LEU 71 1HD2 LEU 71 8.648 15.505 5.766 572 HD23 LEU 71 2HD2 LEU 71 9.983 14.494 5.161 573 H GLN 72 HN GLN 72 11.010 14.006 1.752 574 HA GLN 72 HA GLN 72 11.444 16.667 2.766 575 HB2 GLN 72 1HB GLN 72 13.169 14.750 1.193 576 HB3 GLN 72 2HB GLN 72 13.742 16.327 1.783 577 HG2 GLN 72 1HG GLN 72 13.274 15.391 4.271 578 HG3 GLN 72 2HG GLN 72 12.670 14.073 3.241 579 HE21 GLN 72 2HE2 GLN 72 14.615 13.793 5.301 580 HE22 GLN 72 1HE2 GLN 72 16.106 13.312 4.562 581 H VAL 73 HN VAL 73 11.186 15.348 -0.506 582 HA VAL 73 HA VAL 73 11.974 17.832 -1.828 583 HB VAL 73 HB VAL 73 10.436 15.399 -2.825 584 HG11 VAL 73 1HG1 VAL 73 10.917 16.288 -5.082 585 HG12 VAL 73 2HG1 VAL 73 9.913 17.421 -4.147 586 HG13 VAL 73 3HG1 VAL 73 11.653 17.736 -4.355 587 HG21 VAL 73 3HG2 VAL 73 12.709 14.876 -2.168 588 HG22 VAL 73 1HG2 VAL 73 12.532 14.816 -3.937 589 HG23 VAL 73 2HG2 VAL 73 13.326 16.212 -3.169 590 H LEU 74 HN LEU 74 8.890 16.448 -0.810 591 HA LEU 74 HA LEU 74 7.230 18.475 -1.953 592 HB2 LEU 74 1HB LEU 74 7.132 16.759 0.420 593 HB3 LEU 74 2HB LEU 74 5.741 17.832 0.144 594 HG LEU 74 HG LEU 74 6.724 15.672 -1.761 595 HD11 LEU 74 1HD1 LEU 74 4.602 14.489 -1.136 596 HD12 LEU 74 2HD1 LEU 74 5.649 14.729 0.282 597 HD13 LEU 74 3HD1 LEU 74 4.240 15.785 0.027 598 HD21 LEU 74 3HD2 LEU 74 5.727 17.549 -2.925 599 HD22 LEU 74 1HD2 LEU 74 4.644 16.140 -3.008 600 HD23 LEU 74 2HD2 LEU 74 4.289 17.471 -1.880 601 H ARG 75 HN ARG 75 8.870 18.321 1.206 602 HA ARG 75 HA ARG 75 8.033 20.927 2.081 603 HB2 ARG 75 1HB ARG 75 10.374 19.236 2.810 604 HB3 ARG 75 2HB ARG 75 10.051 20.840 3.509 605 HG2 ARG 75 1HG ARG 75 7.883 20.039 4.346 606 HG3 ARG 75 2HG ARG 75 8.208 18.433 3.648 607 HD2 ARG 75 1HD ARG 75 10.043 18.113 5.138 608 HD3 ARG 75 2HD ARG 75 9.848 19.761 5.782 609 HE ARG 75 HE ARG 75 7.409 18.358 6.379 610 HH11 ARG 75 1HH1 ARG 75 10.786 18.043 7.188 611 HH12 ARG 75 2HH1 ARG 75 10.356 17.344 8.737 612 HH21 ARG 75 1HH2 ARG 75 6.900 17.552 8.145 613 HH22 ARG 75 2HH2 ARG 75 8.140 17.063 9.284 614 H ALA 76 HN ALA 76 10.604 19.845 -0.052 615 HA ALA 76 HA ALA 76 12.051 22.331 -0.060 616 HB1 ALA 76 3HB ALA 76 11.904 20.143 -2.160 617 HB2 ALA 76 1HB ALA 76 13.109 21.450 -2.105 618 HB3 ALA 76 2HB ALA 76 13.063 20.227 -0.813 619 H ILE 77 HN ILE 77 9.158 21.242 -1.649 620 HA ILE 77 HA ILE 77 9.142 23.740 -3.321 621 HB ILE 77 HB ILE 77 7.351 22.627 -4.619 622 HG12 ILE 77 1HG1 ILE 77 7.870 20.192 -2.940 623 HG13 ILE 77 2HG1 ILE 77 6.526 21.325 -2.671 624 HG21 ILE 77 1HG2 ILE 77 8.712 20.852 -5.673 625 HG22 ILE 77 2HG2 ILE 77 9.695 22.294 -5.327 626 HG23 ILE 77 3HG2 ILE 77 9.811 20.864 -4.274 627 HD11 ILE 77 3HD1 ILE 77 7.011 19.707 -5.197 628 HD12 ILE 77 1HD1 ILE 77 5.788 19.355 -3.955 629 HD13 ILE 77 2HD1 ILE 77 5.666 20.841 -4.929 630 H ASN 78 HN ASN 78 8.478 23.294 -0.375 631 HA ASN 78 HA ASN 78 7.097 24.509 1.049 632 HB2 ASN 78 1HB ASN 78 6.088 26.042 -1.465 633 HB3 ASN 78 2HB ASN 78 5.800 26.106 0.291 634 HD21 ASN 78 2HD2 ASN 78 7.073 27.936 -1.771 635 HD22 ASN 78 1HD2 ASN 78 8.579 28.395 -1.049 636 H GLN 79 HN GLN 79 6.279 21.946 -0.200 637 HA GLN 79 HA GLN 79 3.350 22.238 0.373 638 HB2 GLN 79 1HB GLN 79 4.884 20.039 -1.031 639 HB3 GLN 79 2HB GLN 79 3.145 20.002 -0.655 640 HG2 GLN 79 1HG GLN 79 4.416 21.970 -2.755 641 HG3 GLN 79 2HG GLN 79 3.531 20.427 -2.801 642 HE21 GLN 79 2HE2 GLN 79 3.231 23.709 -3.097 643 HE22 GLN 79 1HE2 GLN 79 1.549 23.886 -2.718 644 H ARG 80 HN ARG 80 4.083 22.467 2.633 645 HA ARG 80 HA ARG 80 5.241 20.164 3.975 646 HB2 ARG 80 1HB ARG 80 3.897 22.623 4.978 647 HB3 ARG 80 2HB ARG 80 4.458 21.305 6.032 648 HG2 ARG 80 1HG ARG 80 6.752 21.621 5.203 649 HG3 ARG 80 2HG ARG 80 6.188 22.945 4.154 650 HD2 ARG 80 1HD ARG 80 5.591 24.245 6.079 651 HD3 ARG 80 2HD ARG 80 6.071 22.911 7.153 652 HE ARG 80 HE ARG 80 8.424 23.701 5.680 653 HH11 ARG 80 1HH1 ARG 80 6.250 25.112 8.013 654 HH12 ARG 80 2HH1 ARG 80 7.556 26.099 8.642 655 HH21 ARG 80 1HH2 ARG 80 9.927 24.830 6.382 656 HH22 ARG 80 2HH2 ARG 80 9.652 25.940 7.712 657 H LEU 81 HN LEU 81 1.988 21.175 3.176 658 HA LEU 81 HA LEU 81 0.596 19.544 5.073 659 HB2 LEU 81 1HB LEU 81 0.002 20.541 2.371 660 HB3 LEU 81 2HB LEU 81 -1.293 19.724 3.277 661 HG LEU 81 HG LEU 81 0.129 22.287 4.096 662 HD11 LEU 81 1HD1 LEU 81 -2.099 23.359 3.675 663 HD12 LEU 81 2HD1 LEU 81 -1.454 22.608 2.197 664 HD13 LEU 81 3HD1 LEU 81 -2.733 21.791 3.126 665 HD21 LEU 81 3HD2 LEU 81 -0.504 20.953 6.019 666 HD22 LEU 81 1HD2 LEU 81 -1.548 22.389 5.907 667 HD23 LEU 81 2HD2 LEU 81 -2.166 20.798 5.400 668 H LEU 82 HN LEU 82 1.768 18.861 1.795 669 HA LEU 82 HA LEU 82 0.659 16.157 1.810 670 HB2 LEU 82 1HB LEU 82 2.678 17.567 0.193 671 HB3 LEU 82 2HB LEU 82 2.145 15.940 -0.291 672 HG LEU 82 HG LEU 82 0.443 18.461 -0.178 673 HD11 LEU 82 1HD1 LEU 82 0.276 18.126 -2.659 674 HD12 LEU 82 2HD1 LEU 82 1.967 18.342 -2.148 675 HD13 LEU 82 3HD1 LEU 82 1.350 16.715 -2.526 676 HD21 LEU 82 3HD2 LEU 82 -0.845 16.523 0.504 677 HD22 LEU 82 1HD2 LEU 82 -1.365 17.060 -1.111 678 HD23 LEU 82 2HD2 LEU 82 -0.320 15.629 -0.941 679 H ALA 83 HN ALA 83 3.718 17.648 2.672 680 HA ALA 83 HA ALA 83 5.205 15.210 2.936 681 HB1 ALA 83 3HB ALA 83 5.506 17.850 4.411 682 HB2 ALA 83 1HB ALA 83 6.710 16.541 4.365 683 HB3 ALA 83 2HB ALA 83 6.286 17.412 2.872 684 H GLU 84 HN GLU 84 3.042 16.960 5.120 685 HA GLU 84 HA GLU 84 3.576 15.262 7.414 686 HB2 GLU 84 1HB GLU 84 1.267 17.068 6.693 687 HB3 GLU 84 2HB GLU 84 1.429 16.216 8.247 688 HG2 GLU 84 1HG GLU 84 3.250 18.458 7.192 689 HG3 GLU 84 2HG GLU 84 2.097 18.424 8.545 690 H GLU 85 HN GLU 85 1.401 15.084 4.666 691 HA GLU 85 HA GLU 85 -0.222 12.920 5.671 692 HB2 GLU 85 1HB GLU 85 0.520 13.832 2.894 693 HB3 GLU 85 2HB GLU 85 -0.585 12.474 3.218 694 HG2 GLU 85 1HG GLU 85 -1.071 15.411 4.002 695 HG3 GLU 85 2HG GLU 85 -1.802 14.431 2.712 696 H LEU 86 HN LEU 86 2.859 13.025 3.928 697 HA LEU 86 HA LEU 86 3.044 10.120 3.730 698 HB2 LEU 86 1HB LEU 86 4.904 12.385 3.498 699 HB3 LEU 86 2HB LEU 86 5.532 10.746 3.210 700 HG LEU 86 HG LEU 86 3.419 12.224 1.597 701 HD11 LEU 86 1HD1 LEU 86 5.084 11.973 -0.262 702 HD12 LEU 86 2HD1 LEU 86 5.773 12.880 1.105 703 HD13 LEU 86 3HD1 LEU 86 6.199 11.168 0.865 704 HD21 LEU 86 3HD2 LEU 86 2.807 9.887 1.811 705 HD22 LEU 86 1HD2 LEU 86 3.356 10.222 0.151 706 HD23 LEU 86 2HD2 LEU 86 4.435 9.384 1.293 707 H HIS 87 HN HIS 87 4.138 12.571 6.023 708 HA HIS 87 HA HIS 87 5.684 10.853 7.702 709 HB2 HIS 87 1HB HIS 87 5.687 13.286 8.028 710 HB3 HIS 87 2HB HIS 87 3.951 13.259 8.422 711 HD1 HIS 87 HD1 HIS 87 7.266 11.966 9.770 712 HD2 HIS 87 HD2 HIS 87 3.431 12.992 11.182 713 HE1 HIS 87 HE1 HIS 87 7.358 11.730 12.200 714 H ARG 88 HN ARG 88 2.198 11.606 7.760 715 HA ARG 88 HA ARG 88 1.638 9.777 9.937 716 HB2 ARG 88 1HB ARG 88 -0.124 11.049 7.897 717 HB3 ARG 88 2HB ARG 88 -0.695 9.953 9.177 718 HG2 ARG 88 1HG ARG 88 0.089 11.484 10.892 719 HG3 ARG 88 2HG ARG 88 0.793 12.553 9.655 720 HD2 ARG 88 1HD ARG 88 -1.422 13.018 8.802 721 HD3 ARG 88 2HD ARG 88 -2.122 11.952 10.042 722 HE ARG 88 HE ARG 88 -0.736 14.031 11.458 723 HH11 ARG 88 1HH1 ARG 88 -3.386 13.843 9.201 724 HH12 ARG 88 2HH1 ARG 88 -4.117 15.259 9.931 725 HH21 ARG 88 1HH2 ARG 88 -1.555 15.658 12.299 726 HH22 ARG 88 2HH2 ARG 88 -3.073 16.296 11.698 727 H ALA 89 HN ALA 89 1.730 9.460 6.424 728 HA ALA 89 HA ALA 89 0.623 6.825 6.304 729 HB1 ALA 89 3HB ALA 89 2.669 8.158 4.496 730 HB2 ALA 89 1HB ALA 89 1.748 6.683 4.116 731 HB3 ALA 89 2HB ALA 89 0.900 8.236 4.315 732 H ALA 90 HN ALA 90 3.940 7.996 6.790 733 HA ALA 90 HA ALA 90 5.158 5.398 6.786 734 HB1 ALA 90 3HB ALA 90 6.031 7.961 8.164 735 HB2 ALA 90 1HB ALA 90 7.045 6.524 7.902 736 HB3 ALA 90 2HB ALA 90 6.456 7.462 6.510 737 H ILE 91 HN ILE 91 3.618 7.332 9.310 738 HA ILE 91 HA ILE 91 4.296 5.565 11.507 739 HB ILE 91 HB ILE 91 1.993 7.522 11.083 740 HG12 ILE 91 1HG1 ILE 91 4.403 7.740 12.864 741 HG13 ILE 91 2HG1 ILE 91 4.318 8.392 11.212 742 HG21 ILE 91 1HG2 ILE 91 1.579 7.285 13.509 743 HG22 ILE 91 2HG2 ILE 91 1.338 5.738 12.664 744 HG23 ILE 91 3HG2 ILE 91 2.825 6.018 13.599 745 HD11 ILE 91 3HD1 ILE 91 2.512 9.173 13.527 746 HD12 ILE 91 1HD1 ILE 91 3.858 10.142 12.884 747 HD13 ILE 91 2HD1 ILE 91 2.427 9.826 11.874 748 H GLN 92 HN GLN 92 1.525 5.680 9.296 749 HA GLN 92 HA GLN 92 0.174 3.483 10.630 750 HB2 GLN 92 1HB GLN 92 -0.105 4.734 7.893 751 HB3 GLN 92 2HB GLN 92 -1.143 3.418 8.490 752 HG2 GLN 92 1HG GLN 92 -1.956 5.133 10.406 753 HG3 GLN 92 2HG GLN 92 -0.688 6.060 9.571 754 HE21 GLN 92 2HE2 GLN 92 -3.340 6.967 9.981 755 HE22 GLN 92 1HE2 GLN 92 -4.104 7.122 8.433 756 H LEU 93 HN LEU 93 2.457 3.734 7.959 757 HA LEU 93 HA LEU 93 2.166 0.888 7.278 758 HB2 LEU 93 1HB LEU 93 4.024 3.049 6.537 759 HB3 LEU 93 2HB LEU 93 4.192 1.457 5.760 760 HG LEU 93 HG LEU 93 1.774 3.297 5.570 761 HD11 LEU 93 1HD1 LEU 93 2.461 3.541 3.169 762 HD12 LEU 93 2HD1 LEU 93 3.732 4.125 4.267 763 HD13 LEU 93 3HD1 LEU 93 3.889 2.531 3.490 764 HD21 LEU 93 3HD2 LEU 93 1.145 0.957 5.497 765 HD22 LEU 93 1HD2 LEU 93 0.952 1.687 3.886 766 HD23 LEU 93 2HD2 LEU 93 2.351 0.641 4.229 Start of MODEL 4 1 H THR 4 1H THR 4 -1.454 0.454 -0.277 2 HA THR 4 HA THR 4 1.184 0.119 0.772 3 HB THR 4 HB THR 4 1.897 -0.279 -1.520 4 HG1 THR 4 HG1 THR 4 -0.642 0.424 -2.529 5 HG21 THR 4 3HG2 THR 4 -0.936 -1.305 -1.082 6 HG22 THR 4 1HG2 THR 4 0.259 -1.998 -2.203 7 HG23 THR 4 2HG2 THR 4 0.549 -2.052 -0.447 8 HA PRO 5 HA PRO 5 3.082 4.067 0.493 9 HB2 PRO 5 1HB PRO 5 5.627 3.317 -0.359 10 HB3 PRO 5 2HB PRO 5 5.095 3.083 1.312 11 HG2 PRO 5 1HG PRO 5 5.140 1.085 -0.972 12 HG3 PRO 5 2HG PRO 5 5.653 0.866 0.706 13 HD2 PRO 5 1HD PRO 5 3.228 -0.043 -0.114 14 HD3 PRO 5 2HD PRO 5 3.413 0.649 1.503 15 H SER 6 HN SER 6 3.042 1.875 -2.231 16 HA SER 6 HA SER 6 3.775 3.848 -4.272 17 HB2 SER 6 1HB SER 6 3.132 2.317 -5.821 18 HB3 SER 6 2HB SER 6 4.039 1.489 -4.534 19 HG SER 6 HG SER 6 1.685 1.193 -3.721 20 H ASP 7 HN ASP 7 0.749 2.691 -2.770 21 HA ASP 7 HA ASP 7 -0.998 4.317 -4.423 22 HB2 ASP 7 1HB ASP 7 -1.434 3.003 -1.675 23 HB3 ASP 7 2HB ASP 7 -2.546 4.033 -2.610 24 H HIS 8 HN HIS 8 0.730 4.836 -1.389 25 HA HIS 8 HA HIS 8 -0.477 7.387 -0.797 26 HB2 HIS 8 1HB HIS 8 2.151 6.081 0.006 27 HB3 HIS 8 2HB HIS 8 1.691 7.714 0.545 28 HD1 HIS 8 HD1 HIS 8 -0.978 7.621 1.589 29 HD2 HIS 8 HD2 HIS 8 1.443 4.189 1.938 30 HE1 HIS 8 HE1 HIS 8 -1.882 6.347 3.468 31 H LEU 9 HN LEU 9 2.550 6.518 -2.475 32 HA LEU 9 HA LEU 9 3.270 9.248 -3.046 33 HB2 LEU 9 1HB LEU 9 3.891 6.636 -4.249 34 HB3 LEU 9 2HB LEU 9 4.758 8.074 -4.840 35 HG LEU 9 HG LEU 9 4.835 6.981 -2.000 36 HD11 LEU 9 1HD1 LEU 9 7.218 6.416 -2.545 37 HD12 LEU 9 2HD1 LEU 9 6.088 5.560 -3.620 38 HD13 LEU 9 3HD1 LEU 9 6.959 6.998 -4.206 39 HD21 LEU 9 3HD2 LEU 9 5.046 9.396 -2.056 40 HD22 LEU 9 1HD2 LEU 9 6.611 8.660 -1.636 41 HD23 LEU 9 2HD2 LEU 9 6.333 9.284 -3.280 42 H LEU 10 HN LEU 10 1.354 6.847 -4.789 43 HA LEU 10 HA LEU 10 1.095 8.303 -7.235 44 HB2 LEU 10 1HB LEU 10 0.550 6.009 -6.735 45 HB3 LEU 10 2HB LEU 10 -0.991 6.451 -5.964 46 HG LEU 10 HG LEU 10 -0.224 7.119 -8.830 47 HD11 LEU 10 1HD1 LEU 10 -1.887 5.350 -9.464 48 HD12 LEU 10 2HD1 LEU 10 -0.543 4.666 -8.520 49 HD13 LEU 10 3HD1 LEU 10 -2.115 4.968 -7.742 50 HD21 LEU 10 3HD2 LEU 10 -1.780 8.699 -7.849 51 HD22 LEU 10 1HD2 LEU 10 -2.612 7.705 -9.069 52 HD23 LEU 10 2HD2 LEU 10 -2.850 7.372 -7.336 53 H SER 11 HN SER 11 -1.102 8.206 -4.415 54 HA SER 11 HA SER 11 -2.960 10.186 -5.456 55 HB2 SER 11 1HB SER 11 -3.942 10.182 -3.395 56 HB3 SER 11 2HB SER 11 -3.541 8.515 -3.870 57 HG SER 11 HG SER 11 -3.031 8.962 -1.683 58 H THR 12 HN THR 12 0.013 10.316 -3.523 59 HA THR 12 HA THR 12 -0.259 13.050 -2.650 60 HB THR 12 HB THR 12 2.221 11.337 -3.101 61 HG1 THR 12 HG1 THR 12 0.757 12.030 -0.742 62 HG21 THR 12 3HG2 THR 12 1.893 13.984 -1.634 63 HG22 THR 12 1HG2 THR 12 3.373 12.997 -1.680 64 HG23 THR 12 2HG2 THR 12 2.756 13.749 -3.171 65 H LEU 13 HN LEU 13 1.459 11.607 -5.427 66 HA LEU 13 HA LEU 13 2.222 14.265 -6.408 67 HB2 LEU 13 1HB LEU 13 2.325 11.541 -7.527 68 HB3 LEU 13 2HB LEU 13 3.121 12.884 -8.378 69 HG LEU 13 HG LEU 13 3.846 11.796 -5.630 70 HD11 LEU 13 1HD1 LEU 13 5.982 11.115 -6.756 71 HD12 LEU 13 2HD1 LEU 13 4.574 10.334 -7.513 72 HD13 LEU 13 3HD1 LEU 13 5.346 11.732 -8.298 73 HD21 LEU 13 3HD2 LEU 13 4.167 14.196 -5.735 74 HD22 LEU 13 1HD2 LEU 13 5.745 13.373 -5.721 75 HD23 LEU 13 2HD2 LEU 13 5.098 14.035 -7.243 76 H GLU 14 HN GLU 14 -0.432 12.085 -6.835 77 HA GLU 14 HA GLU 14 -1.450 13.293 -9.272 78 HB2 GLU 14 1HB GLU 14 -2.150 11.089 -8.457 79 HB3 GLU 14 2HB GLU 14 -2.877 11.859 -7.025 80 HG2 GLU 14 1HG GLU 14 -4.497 13.079 -8.579 81 HG3 GLU 14 2HG GLU 14 -3.646 12.231 -9.890 82 H GLU 15 HN GLU 15 -2.028 13.871 -5.808 83 HA GLU 15 HA GLU 15 -3.920 16.038 -6.379 84 HB2 GLU 15 1HB GLU 15 -2.560 15.076 -3.862 85 HB3 GLU 15 2HB GLU 15 -3.713 16.432 -3.918 86 HG2 GLU 15 1HG GLU 15 -5.501 14.819 -4.739 87 HG3 GLU 15 2HG GLU 15 -4.220 13.586 -4.685 88 H LEU 16 HN LEU 16 -0.497 15.739 -6.046 89 HA LEU 16 HA LEU 16 0.115 18.470 -5.414 90 HB2 LEU 16 1HB LEU 16 1.629 16.726 -5.293 91 HB3 LEU 16 2HB LEU 16 1.677 16.389 -7.038 92 HG LEU 16 HG LEU 16 2.524 18.751 -7.366 93 HD11 LEU 16 1HD1 LEU 16 3.565 19.850 -5.364 94 HD12 LEU 16 2HD1 LEU 16 1.809 19.650 -5.154 95 HD13 LEU 16 3HD1 LEU 16 2.935 18.540 -4.338 96 HD21 LEU 16 3HD2 LEU 16 4.004 16.836 -7.499 97 HD22 LEU 16 1HD2 LEU 16 4.848 18.203 -6.730 98 HD23 LEU 16 2HD2 LEU 16 4.238 16.857 -5.735 99 H VAL 17 HN VAL 17 0.077 20.287 -6.488 100 HA VAL 17 HA VAL 17 -1.340 20.584 -8.954 101 HB VAL 17 HB VAL 17 0.767 22.392 -7.696 102 HG11 VAL 17 1HG1 VAL 17 -0.247 24.161 -9.095 103 HG12 VAL 17 2HG1 VAL 17 0.435 22.861 -10.101 104 HG13 VAL 17 3HG1 VAL 17 -1.323 22.955 -9.839 105 HG21 VAL 17 3HG2 VAL 17 -1.112 22.000 -6.217 106 HG22 VAL 17 1HG2 VAL 17 -1.140 23.663 -6.850 107 HG23 VAL 17 2HG2 VAL 17 -2.248 22.438 -7.514 108 HA PRO 18 HA PRO 18 1.290 18.863 -11.930 109 HB2 PRO 18 1HB PRO 18 -0.114 20.949 -13.670 110 HB3 PRO 18 2HB PRO 18 0.127 19.227 -13.994 111 HG2 PRO 18 1HG PRO 18 -2.269 20.078 -13.202 112 HG3 PRO 18 2HG PRO 18 -1.627 18.568 -12.540 113 HD2 PRO 18 1HD PRO 18 -1.813 21.296 -11.221 114 HD3 PRO 18 2HD PRO 18 -1.998 19.694 -10.495 115 H TYR 19 HN TYR 19 0.905 22.396 -11.767 116 HA TYR 19 HA TYR 19 3.421 22.947 -13.081 117 HB2 TYR 19 1HB TYR 19 1.686 24.544 -11.192 118 HB3 TYR 19 2HB TYR 19 3.171 25.173 -11.947 119 HD1 TYR 19 HD2 TYR 19 3.272 25.252 -14.497 120 HD2 TYR 19 HD1 TYR 19 -0.363 24.604 -12.366 121 HE1 TYR 19 HE2 TYR 19 1.992 25.897 -16.509 122 HE2 TYR 19 HE1 TYR 19 -1.664 25.247 -14.374 123 HH TYR 19 HH TYR 19 -0.074 26.201 -17.420 124 H ASP 20 HN ASP 20 2.535 22.145 -9.795 125 HA ASP 20 HA ASP 20 5.246 22.852 -8.811 126 HB2 ASP 20 1HB ASP 20 2.773 21.754 -7.341 127 HB3 ASP 20 2HB ASP 20 4.431 22.010 -6.739 128 H PHE 21 HN PHE 21 3.563 20.149 -10.086 129 HA PHE 21 HA PHE 21 5.371 18.128 -9.020 130 HB2 PHE 21 1HB PHE 21 3.150 17.536 -9.960 131 HB3 PHE 21 2HB PHE 21 3.676 18.117 -11.556 132 HD1 PHE 21 HD1 PHE 21 4.650 15.696 -8.890 133 HD2 PHE 21 HD2 PHE 21 4.544 16.638 -13.054 134 HE1 PHE 21 HE1 PHE 21 5.527 13.446 -9.419 135 HE2 PHE 21 HE2 PHE 21 5.418 14.388 -13.588 136 HZ PHE 21 HZ PHE 21 5.910 12.793 -11.768 137 H GLU 22 HN GLU 22 5.340 20.192 -11.909 138 HA GLU 22 HA GLU 22 7.809 19.249 -13.018 139 HB2 GLU 22 1HB GLU 22 6.445 21.939 -13.015 140 HB3 GLU 22 2HB GLU 22 7.972 21.622 -13.875 141 HG2 GLU 22 1HG GLU 22 5.286 20.231 -14.460 142 HG3 GLU 22 2HG GLU 22 6.099 21.546 -15.341 143 H LYS 23 HN LYS 23 7.121 21.593 -10.447 144 HA LYS 23 HA LYS 23 9.925 22.219 -9.986 145 HB2 LYS 23 1HB LYS 23 7.463 22.473 -8.251 146 HB3 LYS 23 2HB LYS 23 9.080 23.075 -7.814 147 HG2 LYS 23 1HG LYS 23 9.051 24.608 -9.719 148 HG3 LYS 23 2HG LYS 23 7.466 23.976 -10.224 149 HD2 LYS 23 1HD LYS 23 6.520 24.726 -8.042 150 HD3 LYS 23 2HD LYS 23 8.096 25.451 -7.645 151 HE2 LYS 23 1HE LYS 23 7.937 26.929 -9.576 152 HE3 LYS 23 2HE LYS 23 6.404 26.168 -10.059 153 HZ1 LYS 23 3HZ LYS 23 6.857 27.679 -7.566 154 HZ2 LYS 23 1HZ LYS 23 6.041 28.232 -8.888 155 HZ3 LYS 23 2HZ LYS 23 5.435 26.973 -8.013 156 H PHE 24 HN PHE 24 7.655 19.830 -8.697 157 HA PHE 24 HA PHE 24 9.329 18.734 -6.672 158 HB2 PHE 24 1HB PHE 24 7.010 18.033 -6.847 159 HB3 PHE 24 2HB PHE 24 7.274 17.408 -8.491 160 HD1 PHE 24 HD1 PHE 24 8.079 16.896 -4.920 161 HD2 PHE 24 HD2 PHE 24 8.089 15.253 -8.863 162 HE1 PHE 24 HE1 PHE 24 8.598 14.666 -3.988 163 HE2 PHE 24 HE2 PHE 24 8.605 13.020 -7.935 164 HZ PHE 24 HZ PHE 24 8.861 12.728 -5.495 165 H LYS 25 HN LYS 25 9.062 17.811 -10.114 166 HA LYS 25 HA LYS 25 11.173 15.845 -9.950 167 HB2 LYS 25 1HB LYS 25 10.025 17.375 -12.289 168 HB3 LYS 25 2HB LYS 25 11.171 16.019 -12.419 169 HG2 LYS 25 1HG LYS 25 9.501 14.550 -11.302 170 HG3 LYS 25 2HG LYS 25 8.351 15.909 -11.298 171 HD2 LYS 25 1HD LYS 25 9.616 14.688 -13.775 172 HD3 LYS 25 2HD LYS 25 7.976 14.331 -13.182 173 HE2 LYS 25 1HE LYS 25 7.473 16.790 -13.357 174 HE3 LYS 25 2HE LYS 25 9.049 16.993 -14.157 175 HZ1 LYS 25 3HZ LYS 25 6.839 15.299 -15.131 176 HZ2 LYS 25 1HZ LYS 25 7.266 16.767 -15.749 177 HZ3 LYS 25 2HZ LYS 25 8.300 15.487 -15.872 178 H PHE 26 HN PHE 26 11.111 19.290 -10.734 179 HA PHE 26 HA PHE 26 13.809 19.525 -11.638 180 HB2 PHE 26 1HB PHE 26 12.214 21.368 -11.891 181 HB3 PHE 26 2HB PHE 26 12.063 21.515 -10.126 182 HD1 PHE 26 HD1 PHE 26 14.413 21.880 -12.966 183 HD2 PHE 26 HD2 PHE 26 13.539 22.813 -8.889 184 HE1 PHE 26 HE1 PHE 26 16.262 23.520 -12.946 185 HE2 PHE 26 HE2 PHE 26 15.386 24.455 -8.866 186 HZ PHE 26 HZ PHE 26 16.749 24.808 -10.896 187 H LYS 27 HN LYS 27 12.446 19.663 -8.355 188 HA LYS 27 HA LYS 27 15.108 20.111 -7.185 189 HB2 LYS 27 1HB LYS 27 12.398 19.532 -5.983 190 HB3 LYS 27 2HB LYS 27 13.878 19.833 -5.043 191 HG2 LYS 27 1HG LYS 27 12.612 21.797 -6.985 192 HG3 LYS 27 2HG LYS 27 12.405 21.833 -5.217 193 HD2 LYS 27 1HD LYS 27 14.857 22.082 -4.956 194 HD3 LYS 27 2HD LYS 27 15.026 22.110 -6.728 195 HE2 LYS 27 1HE LYS 27 13.644 24.122 -6.849 196 HE3 LYS 27 2HE LYS 27 13.410 24.084 -5.086 197 HZ1 LYS 27 3HZ LYS 27 15.994 24.444 -6.463 198 HZ2 LYS 27 1HZ LYS 27 15.129 25.636 -5.720 199 HZ3 LYS 27 2HZ LYS 27 15.776 24.408 -4.829 200 H LEU 28 HN LEU 28 12.994 17.406 -7.844 201 HA LEU 28 HA LEU 28 14.186 15.566 -5.980 202 HB2 LEU 28 1HB LEU 28 12.108 15.239 -6.868 203 HB3 LEU 28 2HB LEU 28 12.610 15.127 -8.571 204 HG LEU 28 HG LEU 28 13.933 13.078 -7.972 205 HD11 LEU 28 1HD1 LEU 28 13.356 11.930 -5.816 206 HD12 LEU 28 2HD1 LEU 28 14.113 13.513 -5.523 207 HD13 LEU 28 3HD1 LEU 28 12.351 13.325 -5.362 208 HD21 LEU 28 3HD2 LEU 28 11.763 12.895 -9.037 209 HD22 LEU 28 1HD2 LEU 28 11.979 11.570 -7.867 210 HD23 LEU 28 2HD2 LEU 28 10.949 12.964 -7.455 211 H GLN 29 HN GLN 29 14.867 16.296 -9.390 212 HA GLN 29 HA GLN 29 16.875 14.224 -9.642 213 HB2 GLN 29 1HB GLN 29 17.379 15.190 -11.736 214 HB3 GLN 29 2HB GLN 29 15.615 15.285 -11.520 215 HG2 GLN 29 1HG GLN 29 16.057 17.901 -10.861 216 HG3 GLN 29 2HG GLN 29 17.683 17.276 -11.223 217 HE21 GLN 29 2HE2 GLN 29 18.379 17.961 -13.130 218 HE22 GLN 29 1HE2 GLN 29 17.419 18.141 -14.561 219 H ASN 30 HN ASN 30 16.867 17.311 -8.172 220 HA ASN 30 HA ASN 30 19.843 17.481 -8.275 221 HB2 ASN 30 1HB ASN 30 17.908 19.620 -7.109 222 HB3 ASN 30 2HB ASN 30 19.669 19.370 -7.206 223 HD21 ASN 30 2HD2 ASN 30 17.647 21.345 -8.365 224 HD22 ASN 30 1HD2 ASN 30 18.073 21.429 -10.042 225 H THR 31 HN THR 31 17.258 16.484 -6.217 226 HA THR 31 HA THR 31 18.562 16.863 -3.679 227 HB THR 31 HB THR 31 16.481 14.795 -4.505 228 HG1 THR 31 HG1 THR 31 16.223 17.365 -3.272 229 HG21 THR 31 3HG2 THR 31 17.321 15.811 -1.761 230 HG22 THR 31 1HG2 THR 31 15.984 14.683 -2.089 231 HG23 THR 31 2HG2 THR 31 17.663 14.194 -2.420 232 H SER 32 HN SER 32 20.155 15.896 -2.720 233 HA SER 32 HA SER 32 21.623 13.666 -3.948 234 HB2 SER 32 1HB SER 32 22.797 15.335 -2.874 235 HB3 SER 32 2HB SER 32 21.922 15.049 -1.351 236 HG SER 32 HG SER 32 23.952 13.991 -1.422 237 H VAL 33 HN VAL 33 21.684 11.556 -3.334 238 HA VAL 33 HA VAL 33 19.809 10.660 -1.151 239 HB VAL 33 HB VAL 33 19.283 8.679 -2.477 240 HG11 VAL 33 1HG1 VAL 33 17.949 9.721 -4.278 241 HG12 VAL 33 2HG1 VAL 33 17.833 10.659 -2.770 242 HG13 VAL 33 3HG1 VAL 33 18.878 11.228 -4.094 243 HG21 VAL 33 3HG2 VAL 33 21.376 8.460 -3.679 244 HG22 VAL 33 1HG2 VAL 33 19.996 8.449 -4.802 245 HG23 VAL 33 2HG2 VAL 33 20.998 9.911 -4.637 246 H GLN 34 HN GLN 34 20.250 8.527 -0.320 247 HA GLN 34 HA GLN 34 23.012 8.314 0.486 248 HB2 GLN 34 1HB GLN 34 21.128 7.551 1.858 249 HB3 GLN 34 2HB GLN 34 20.743 6.317 0.635 250 HG2 GLN 34 1HG GLN 34 22.151 5.012 2.337 251 HG3 GLN 34 2HG GLN 34 22.986 5.589 0.875 252 HE21 GLN 34 2HE2 GLN 34 24.994 5.404 1.974 253 HE22 GLN 34 1HE2 GLN 34 25.488 6.586 3.140 254 H LYS 35 HN LYS 35 24.682 7.250 -0.268 255 HA LYS 35 HA LYS 35 24.762 6.539 -3.001 256 HB2 LYS 35 1HB LYS 35 26.720 7.117 -1.650 257 HB3 LYS 35 2HB LYS 35 26.539 5.595 -0.745 258 HG2 LYS 35 1HG LYS 35 26.986 4.307 -2.775 259 HG3 LYS 35 2HG LYS 35 27.099 5.809 -3.723 260 HD2 LYS 35 1HD LYS 35 29.031 6.520 -2.380 261 HD3 LYS 35 2HD LYS 35 28.914 5.030 -1.415 262 HE2 LYS 35 1HE LYS 35 29.317 3.689 -3.436 263 HE3 LYS 35 2HE LYS 35 29.440 5.180 -4.399 264 HZ1 LYS 35 3HZ LYS 35 31.233 4.416 -2.184 265 HZ2 LYS 35 1HZ LYS 35 31.603 4.333 -3.789 266 HZ3 LYS 35 2HZ LYS 35 31.347 5.799 -3.076 267 H GLU 36 HN GLU 36 24.107 4.531 -0.172 268 HA GLU 36 HA GLU 36 24.483 1.996 -1.439 269 HB2 GLU 36 1HB GLU 36 22.728 2.873 0.855 270 HB3 GLU 36 2HB GLU 36 22.932 1.178 0.350 271 HG2 GLU 36 1HG GLU 36 25.399 1.341 0.900 272 HG3 GLU 36 2HG GLU 36 25.074 3.051 1.267 273 H HIS 37 HN HIS 37 21.767 4.224 -1.433 274 HA HIS 37 HA HIS 37 20.028 2.200 -2.731 275 HB2 HIS 37 1HB HIS 37 19.486 5.092 -1.916 276 HB3 HIS 37 2HB HIS 37 18.283 3.953 -2.565 277 HD1 HIS 37 HD1 HIS 37 17.153 2.413 -0.966 278 HD2 HIS 37 HD2 HIS 37 20.456 4.319 0.826 279 HE1 HIS 37 HE1 HIS 37 16.989 1.937 1.425 280 H SER 38 HN SER 38 18.987 2.519 -4.715 281 HA SER 38 HA SER 38 20.957 3.367 -6.756 282 HB2 SER 38 1HB SER 38 19.946 1.302 -6.986 283 HB3 SER 38 2HB SER 38 18.325 2.035 -6.967 284 HG SER 38 HG SER 38 20.367 2.536 -8.874 285 H ARG 39 HN ARG 39 20.919 5.213 -7.872 286 HA ARG 39 HA ARG 39 18.734 7.150 -7.364 287 HB2 ARG 39 1HB ARG 39 21.029 7.856 -7.138 288 HB3 ARG 39 2HB ARG 39 21.289 7.511 -8.864 289 HG2 ARG 39 1HG ARG 39 19.622 9.203 -9.465 290 HG3 ARG 39 2HG ARG 39 19.330 9.537 -7.741 291 HD2 ARG 39 1HD ARG 39 21.753 10.163 -7.596 292 HD3 ARG 39 2HD ARG 39 21.771 10.109 -9.375 293 HE ARG 39 HE ARG 39 20.489 12.231 -9.340 294 HH11 ARG 39 1HH1 ARG 39 20.728 10.908 -6.122 295 HH12 ARG 39 2HH1 ARG 39 20.185 12.433 -5.449 296 HH21 ARG 39 1HH2 ARG 39 19.858 13.980 -8.585 297 HH22 ARG 39 2HH2 ARG 39 19.688 14.185 -6.853 298 H ILE 40 HN ILE 40 17.133 7.585 -8.653 299 HA ILE 40 HA ILE 40 16.888 6.295 -11.273 300 HB ILE 40 HB ILE 40 15.244 8.492 -9.932 301 HG12 ILE 40 1HG1 ILE 40 14.662 5.560 -10.254 302 HG13 ILE 40 2HG1 ILE 40 15.280 6.330 -8.774 303 HG21 ILE 40 1HG2 ILE 40 13.542 7.960 -11.645 304 HG22 ILE 40 2HG2 ILE 40 15.045 8.543 -12.396 305 HG23 ILE 40 3HG2 ILE 40 14.666 6.805 -12.402 306 HD11 ILE 40 3HD1 ILE 40 12.624 6.939 -10.119 307 HD12 ILE 40 1HD1 ILE 40 12.846 5.975 -8.641 308 HD13 ILE 40 2HD1 ILE 40 13.243 7.710 -8.639 309 HA PRO 41 HA PRO 41 19.225 9.049 -13.722 310 HB2 PRO 41 1HB PRO 41 17.148 8.150 -15.773 311 HB3 PRO 41 2HB PRO 41 18.908 8.201 -15.937 312 HG2 PRO 41 1HG PRO 41 17.705 5.856 -15.548 313 HG3 PRO 41 2HG PRO 41 19.218 6.202 -14.700 314 HD2 PRO 41 1HD PRO 41 16.380 6.230 -13.615 315 HD3 PRO 41 2HD PRO 41 17.869 5.709 -12.817 316 H ARG 42 HN ARG 42 19.128 11.081 -14.339 317 HA ARG 42 HA ARG 42 16.974 12.614 -13.214 318 HB2 ARG 42 1HB ARG 42 19.221 13.416 -15.003 319 HB3 ARG 42 2HB ARG 42 18.033 14.534 -14.294 320 HG2 ARG 42 1HG ARG 42 18.747 13.633 -12.023 321 HG3 ARG 42 2HG ARG 42 20.101 12.845 -12.868 322 HD2 ARG 42 1HD ARG 42 19.537 15.792 -12.852 323 HD3 ARG 42 2HD ARG 42 20.701 14.953 -11.802 324 HE ARG 42 HE ARG 42 21.192 15.566 -14.680 325 HH11 ARG 42 1HH1 ARG 42 22.235 13.815 -11.851 326 HH12 ARG 42 2HH1 ARG 42 23.817 13.583 -12.571 327 HH21 ARG 42 1HH2 ARG 42 23.001 15.317 -15.514 328 HH22 ARG 42 2HH2 ARG 42 24.255 14.440 -14.659 329 H SER 43 HN SER 43 17.752 11.684 -16.545 330 HA SER 43 HA SER 43 15.654 13.244 -17.837 331 HB2 SER 43 1HB SER 43 16.080 12.029 -19.726 332 HB3 SER 43 2HB SER 43 17.611 12.488 -18.946 333 HG SER 43 HG SER 43 17.592 10.315 -19.682 334 H GLN 44 HN GLN 44 15.862 10.012 -16.364 335 HA GLN 44 HA GLN 44 13.287 9.088 -17.296 336 HB2 GLN 44 1HB GLN 44 15.101 7.634 -16.435 337 HB3 GLN 44 2HB GLN 44 14.843 8.326 -14.817 338 HG2 GLN 44 1HG GLN 44 13.453 6.136 -14.837 339 HG3 GLN 44 2HG GLN 44 12.615 7.700 -14.972 340 HE21 GLN 44 2HE2 GLN 44 10.785 6.707 -15.889 341 HE22 GLN 44 1HE2 GLN 44 10.780 6.138 -17.526 342 H ILE 45 HN ILE 45 14.354 10.812 -14.388 343 HA ILE 45 HA ILE 45 11.825 10.798 -13.029 344 HB ILE 45 HB ILE 45 14.118 12.810 -13.020 345 HG12 ILE 45 1HG1 ILE 45 13.298 10.801 -10.943 346 HG13 ILE 45 2HG1 ILE 45 14.530 10.509 -12.191 347 HG21 ILE 45 1HG2 ILE 45 13.072 13.734 -10.981 348 HG22 ILE 45 2HG2 ILE 45 11.999 13.915 -12.389 349 HG23 ILE 45 3HG2 ILE 45 11.688 12.635 -11.192 350 HD11 ILE 45 3HD1 ILE 45 14.633 12.677 -10.064 351 HD12 ILE 45 1HD1 ILE 45 15.567 11.164 -10.054 352 HD13 ILE 45 2HD1 ILE 45 15.866 12.385 -11.313 353 H GLN 46 HN GLN 46 13.146 13.068 -15.416 354 HA GLN 46 HA GLN 46 10.931 14.896 -15.211 355 HB2 GLN 46 1HB GLN 46 12.932 14.356 -17.412 356 HB3 GLN 46 2HB GLN 46 11.743 15.679 -17.446 357 HG2 GLN 46 1HG GLN 46 13.001 16.630 -15.241 358 HG3 GLN 46 2HG GLN 46 13.872 15.115 -15.575 359 HE21 GLN 46 2HE2 GLN 46 15.141 17.610 -15.338 360 HE22 GLN 46 1HE2 GLN 46 15.798 18.045 -16.881 361 H ARG 47 HN ARG 47 11.465 11.976 -17.084 362 HA ARG 47 HA ARG 47 9.130 12.577 -18.814 363 HB2 ARG 47 1HB ARG 47 11.057 10.298 -18.860 364 HB3 ARG 47 2HB ARG 47 9.695 10.548 -19.978 365 HG2 ARG 47 1HG ARG 47 11.936 12.554 -19.624 366 HG3 ARG 47 2HG ARG 47 11.994 11.237 -20.822 367 HD2 ARG 47 1HD ARG 47 9.982 12.109 -21.859 368 HD3 ARG 47 2HD ARG 47 9.957 13.437 -20.676 369 HE ARG 47 HE ARG 47 12.450 13.648 -22.100 370 HH11 ARG 47 1HH1 ARG 47 9.053 13.822 -22.863 371 HH12 ARG 47 2HH1 ARG 47 9.396 14.946 -24.163 372 HH21 ARG 47 1HH2 ARG 47 12.861 14.927 -23.591 373 HH22 ARG 47 2HH2 ARG 47 11.568 15.576 -24.580 374 H ALA 48 HN ALA 48 9.865 10.866 -15.933 375 HA ALA 48 HA ALA 48 7.857 8.799 -16.241 376 HB1 ALA 48 3HB ALA 48 9.248 9.853 -13.754 377 HB2 ALA 48 1HB ALA 48 8.278 8.365 -13.851 378 HB3 ALA 48 2HB ALA 48 9.797 8.498 -14.769 379 H ARG 49 HN ARG 49 5.831 8.617 -15.416 380 HA ARG 49 HA ARG 49 4.410 11.136 -14.896 381 HB2 ARG 49 1HB ARG 49 3.494 8.302 -15.032 382 HB3 ARG 49 2HB ARG 49 2.450 9.683 -14.622 383 HG2 ARG 49 1HG ARG 49 3.038 10.708 -16.822 384 HG3 ARG 49 2HG ARG 49 3.932 9.222 -17.228 385 HD2 ARG 49 1HD ARG 49 1.910 7.943 -17.118 386 HD3 ARG 49 2HD ARG 49 0.998 9.386 -16.620 387 HE ARG 49 HE ARG 49 2.136 9.861 -19.260 388 HH11 ARG 49 1HH1 ARG 49 -0.335 7.933 -17.729 389 HH12 ARG 49 2HH1 ARG 49 -1.270 7.945 -19.212 390 HH21 ARG 49 1HH2 ARG 49 1.080 9.876 -20.967 391 HH22 ARG 49 2HH2 ARG 49 -0.465 9.051 -21.059 392 HA PRO 50 HA PRO 50 4.326 11.146 -10.490 393 HB2 PRO 50 1HB PRO 50 1.622 11.737 -10.072 394 HB3 PRO 50 2HB PRO 50 2.802 12.974 -10.527 395 HG2 PRO 50 1HG PRO 50 0.871 11.436 -12.294 396 HG3 PRO 50 2HG PRO 50 1.251 13.164 -12.302 397 HD2 PRO 50 1HD PRO 50 2.382 11.535 -14.141 398 HD3 PRO 50 2HD PRO 50 3.341 12.836 -13.422 399 H VAL 51 HN VAL 51 2.096 9.189 -12.356 400 HA VAL 51 HA VAL 51 1.536 7.373 -10.096 401 HB VAL 51 HB VAL 51 1.108 7.096 -13.100 402 HG11 VAL 51 1HG1 VAL 51 -0.301 5.156 -12.499 403 HG12 VAL 51 2HG1 VAL 51 1.387 4.900 -12.000 404 HG13 VAL 51 3HG1 VAL 51 0.159 5.350 -10.792 405 HG21 VAL 51 3HG2 VAL 51 -0.259 8.836 -12.113 406 HG22 VAL 51 1HG2 VAL 51 -1.252 7.431 -12.565 407 HG23 VAL 51 2HG2 VAL 51 -0.825 7.706 -10.859 408 H LYS 52 HN LYS 52 3.730 7.411 -12.878 409 HA LYS 52 HA LYS 52 4.732 4.745 -12.414 410 HB2 LYS 52 1HB LYS 52 5.864 7.150 -13.843 411 HB3 LYS 52 2HB LYS 52 6.665 5.561 -13.795 412 HG2 LYS 52 1HG LYS 52 4.673 4.557 -14.884 413 HG3 LYS 52 2HG LYS 52 3.943 6.176 -14.994 414 HD2 LYS 52 1HD LYS 52 5.846 6.935 -16.369 415 HD3 LYS 52 2HD LYS 52 6.558 5.307 -16.272 416 HE2 LYS 52 1HE LYS 52 4.569 4.376 -17.385 417 HE3 LYS 52 2HE LYS 52 3.871 6.008 -17.494 418 HZ1 LYS 52 3HZ LYS 52 6.378 5.127 -18.776 419 HZ2 LYS 52 1HZ LYS 52 4.938 5.358 -19.545 420 HZ3 LYS 52 2HZ LYS 52 5.731 6.641 -18.876 421 H MET 53 HN MET 53 5.749 7.946 -11.287 422 HA MET 53 HA MET 53 8.271 7.100 -10.202 423 HB2 MET 53 1HB MET 53 6.417 9.389 -9.571 424 HB3 MET 53 2HB MET 53 7.997 9.163 -8.784 425 HG2 MET 53 1HG MET 53 7.507 9.574 -11.751 426 HG3 MET 53 2HG MET 53 8.137 10.790 -10.613 427 HE1 MET 53 3HE MET 53 10.134 9.234 -8.793 428 HE2 MET 53 1HE MET 53 11.659 9.402 -9.698 429 HE3 MET 53 2HE MET 53 10.533 10.777 -9.587 430 H ALA 54 HN ALA 54 4.997 6.932 -8.983 431 HA ALA 54 HA ALA 54 5.573 6.544 -6.233 432 HB1 ALA 54 3HB ALA 54 3.360 5.319 -7.916 433 HB2 ALA 54 1HB ALA 54 3.396 5.392 -6.140 434 HB3 ALA 54 2HB ALA 54 3.300 6.893 -7.090 435 H THR 55 HN THR 55 5.684 4.301 -8.959 436 HA THR 55 HA THR 55 6.391 2.054 -7.157 437 HB THR 55 HB THR 55 6.180 2.185 -10.195 438 HG1 THR 55 HG1 THR 55 4.218 1.012 -9.766 439 HG21 THR 55 3HG2 THR 55 6.454 -0.181 -8.301 440 HG22 THR 55 1HG2 THR 55 6.215 -0.281 -10.060 441 HG23 THR 55 2HG2 THR 55 7.715 0.418 -9.404 442 H LEU 56 HN LEU 56 7.901 4.174 -9.551 443 HA LEU 56 HA LEU 56 10.353 2.725 -9.788 444 HB2 LEU 56 1HB LEU 56 9.630 5.571 -9.993 445 HB3 LEU 56 2HB LEU 56 11.253 5.055 -10.508 446 HG LEU 56 HG LEU 56 8.623 4.128 -11.725 447 HD11 LEU 56 1HD1 LEU 56 9.351 5.462 -13.720 448 HD12 LEU 56 2HD1 LEU 56 9.156 6.497 -12.287 449 HD13 LEU 56 3HD1 LEU 56 10.782 6.005 -12.815 450 HD21 LEU 56 3HD2 LEU 56 10.340 2.419 -11.825 451 HD22 LEU 56 1HD2 LEU 56 10.047 3.081 -13.450 452 HD23 LEU 56 2HD2 LEU 56 11.491 3.576 -12.533 453 H LEU 57 HN LEU 57 9.401 5.344 -7.578 454 HA LEU 57 HA LEU 57 11.975 5.599 -6.337 455 HB2 LEU 57 1HB LEU 57 9.209 6.084 -5.457 456 HB3 LEU 57 2HB LEU 57 10.548 6.639 -4.428 457 HG LEU 57 HG LEU 57 10.023 7.563 -7.278 458 HD11 LEU 57 1HD1 LEU 57 9.342 9.730 -6.214 459 HD12 LEU 57 2HD1 LEU 57 8.287 8.395 -5.696 460 HD13 LEU 57 3HD1 LEU 57 9.564 8.994 -4.611 461 HD21 LEU 57 3HD2 LEU 57 12.371 7.623 -6.678 462 HD22 LEU 57 1HD2 LEU 57 11.729 9.279 -6.783 463 HD23 LEU 57 2HD2 LEU 57 11.998 8.528 -5.192 464 H VAL 58 HN VAL 58 9.173 3.559 -5.599 465 HA VAL 58 HA VAL 58 10.341 2.371 -3.208 466 HB VAL 58 HB VAL 58 8.183 1.394 -5.123 467 HG11 VAL 58 1HG1 VAL 58 7.632 -0.236 -3.348 468 HG12 VAL 58 2HG1 VAL 58 9.281 -0.494 -3.966 469 HG13 VAL 58 3HG1 VAL 58 9.033 0.320 -2.402 470 HG21 VAL 58 3HG2 VAL 58 7.572 3.416 -3.938 471 HG22 VAL 58 1HG2 VAL 58 6.645 2.024 -3.333 472 HG23 VAL 58 2HG2 VAL 58 8.011 2.662 -2.386 473 H THR 59 HN THR 59 10.608 1.702 -6.640 474 HA THR 59 HA THR 59 11.733 -0.947 -6.293 475 HB THR 59 HB THR 59 11.920 1.004 -8.627 476 HG1 THR 59 HG1 THR 59 10.268 -0.403 -9.465 477 HG21 THR 59 3HG2 THR 59 12.531 -1.974 -8.469 478 HG22 THR 59 1HG2 THR 59 12.542 -0.987 -9.949 479 HG23 THR 59 2HG2 THR 59 13.732 -0.676 -8.662 480 H TYR 60 HN TYR 60 13.164 2.288 -6.718 481 HA TYR 60 HA TYR 60 15.848 1.006 -6.888 482 HB2 TYR 60 1HB TYR 60 14.851 3.806 -7.439 483 HB3 TYR 60 2HB TYR 60 16.562 3.318 -7.506 484 HD1 TYR 60 HD2 TYR 60 17.144 1.371 -9.123 485 HD2 TYR 60 HD1 TYR 60 13.518 3.604 -9.357 486 HE1 TYR 60 HE2 TYR 60 16.853 0.632 -11.463 487 HE2 TYR 60 HE1 TYR 60 13.211 2.873 -11.704 488 HH TYR 60 HH TYR 60 15.552 0.729 -13.331 489 H TYR 61 HN TYR 61 13.913 3.046 -4.808 490 HA TYR 61 HA TYR 61 16.287 3.397 -3.009 491 HB2 TYR 61 1HB TYR 61 13.654 4.886 -3.063 492 HB3 TYR 61 2HB TYR 61 15.037 5.206 -1.987 493 HD1 TYR 61 HD2 TYR 61 17.232 5.953 -3.061 494 HD2 TYR 61 HD1 TYR 61 13.535 5.914 -5.185 495 HE1 TYR 61 HE2 TYR 61 18.190 7.500 -4.733 496 HE2 TYR 61 HE1 TYR 61 14.478 7.465 -6.870 497 HH TYR 61 HH TYR 61 17.622 8.982 -6.482 498 H GLY 62 HN GLY 62 12.780 2.713 -2.927 499 HA2 GLY 62 1HA GLY 62 12.370 0.490 -1.714 500 HA3 GLY 62 2HA GLY 62 13.265 1.240 -0.371 501 H GLU 63 HN GLU 63 10.806 0.355 0.210 502 HA GLU 63 HA GLU 63 8.604 2.047 -0.488 503 HB2 GLU 63 1HB GLU 63 9.091 0.215 1.862 504 HB3 GLU 63 2HB GLU 63 7.548 1.048 1.553 505 HG2 GLU 63 1HG GLU 63 7.310 -0.219 -0.613 506 HG3 GLU 63 2HG GLU 63 8.933 -0.865 -0.279 507 H GLU 64 HN GLU 64 10.703 2.035 2.397 508 HA GLU 64 HA GLU 64 9.268 4.299 3.570 509 HB2 GLU 64 1HB GLU 64 11.862 2.910 4.252 510 HB3 GLU 64 2HB GLU 64 11.172 4.258 5.187 511 HG2 GLU 64 1HG GLU 64 9.156 2.827 5.721 512 HG3 GLU 64 2HG GLU 64 9.895 1.608 4.658 513 H TYR 65 HN TYR 65 12.402 3.847 1.945 514 HA TYR 65 HA TYR 65 13.279 6.562 2.381 515 HB2 TYR 65 1HB TYR 65 14.636 4.468 1.760 516 HB3 TYR 65 2HB TYR 65 14.119 4.804 0.088 517 HD1 TYR 65 HD1 TYR 65 14.671 7.610 2.353 518 HD2 TYR 65 HD2 TYR 65 16.506 5.099 -0.564 519 HE1 TYR 65 HE1 TYR 65 16.513 9.248 2.114 520 HE2 TYR 65 HE2 TYR 65 18.353 6.722 -0.814 521 HH TYR 65 HH TYR 65 18.464 9.757 1.067 522 H ALA 66 HN ALA 66 11.408 5.005 -0.171 523 HA ALA 66 HA ALA 66 11.403 7.156 -2.023 524 HB1 ALA 66 3HB ALA 66 9.193 5.172 -1.382 525 HB2 ALA 66 1HB ALA 66 9.286 6.191 -2.837 526 HB3 ALA 66 2HB ALA 66 10.511 4.932 -2.552 527 H VAL 67 HN VAL 67 9.305 6.524 0.784 528 HA VAL 67 HA VAL 67 7.662 8.900 0.411 529 HB VAL 67 HB VAL 67 8.232 7.173 2.853 530 HG11 VAL 67 1HG1 VAL 67 6.288 8.315 3.870 531 HG12 VAL 67 2HG1 VAL 67 7.596 9.469 3.516 532 HG13 VAL 67 3HG1 VAL 67 6.172 9.381 2.450 533 HG21 VAL 67 3HG2 VAL 67 7.060 6.001 1.087 534 HG22 VAL 67 1HG2 VAL 67 5.979 6.310 2.466 535 HG23 VAL 67 2HG2 VAL 67 5.853 7.305 0.995 536 H GLN 68 HN GLN 68 10.630 8.252 2.222 537 HA GLN 68 HA GLN 68 10.653 10.800 3.569 538 HB2 GLN 68 1HB GLN 68 12.836 8.842 2.839 539 HB3 GLN 68 2HB GLN 68 13.106 10.310 3.806 540 HG2 GLN 68 1HG GLN 68 11.413 9.225 5.617 541 HG3 GLN 68 2HG GLN 68 11.382 8.042 4.289 542 HE21 GLN 68 2HE2 GLN 68 12.017 7.442 6.992 543 HE22 GLN 68 1HE2 GLN 68 13.669 6.925 7.053 544 H LEU 69 HN LEU 69 12.026 9.683 0.496 545 HA LEU 69 HA LEU 69 13.437 12.162 -0.022 546 HB2 LEU 69 1HB LEU 69 12.489 9.883 -1.613 547 HB3 LEU 69 2HB LEU 69 13.387 11.165 -2.459 548 HG LEU 69 HG LEU 69 14.448 9.449 -0.179 549 HD11 LEU 69 1HD1 LEU 69 15.938 8.463 -1.940 550 HD12 LEU 69 2HD1 LEU 69 14.221 8.185 -2.316 551 HD13 LEU 69 3HD1 LEU 69 15.124 9.462 -3.166 552 HD21 LEU 69 3HD2 LEU 69 15.391 11.683 -0.161 553 HD22 LEU 69 1HD2 LEU 69 16.621 10.509 -0.685 554 HD23 LEU 69 2HD2 LEU 69 15.816 11.550 -1.884 555 H THR 70 HN THR 70 10.319 10.848 -1.142 556 HA THR 70 HA THR 70 9.617 13.101 -2.764 557 HB THR 70 HB THR 70 7.790 11.202 -1.233 558 HG1 THR 70 HG1 THR 70 8.779 11.126 -3.917 559 HG21 THR 70 3HG2 THR 70 7.267 13.004 -3.629 560 HG22 THR 70 1HG2 THR 70 6.110 11.855 -2.922 561 HG23 THR 70 2HG2 THR 70 6.653 13.264 -1.979 562 H LEU 71 HN LEU 71 9.040 12.417 0.676 563 HA LEU 71 HA LEU 71 7.543 14.804 1.208 564 HB2 LEU 71 1HB LEU 71 7.792 12.807 2.537 565 HB3 LEU 71 2HB LEU 71 9.389 13.305 3.144 566 HG LEU 71 HG LEU 71 6.794 14.854 3.496 567 HD11 LEU 71 1HD1 LEU 71 7.015 14.211 5.912 568 HD12 LEU 71 2HD1 LEU 71 6.859 12.777 4.873 569 HD13 LEU 71 3HD1 LEU 71 8.453 13.247 5.508 570 HD21 LEU 71 3HD2 LEU 71 8.732 16.305 3.362 571 HD22 LEU 71 1HD2 LEU 71 8.114 16.272 5.031 572 HD23 LEU 71 2HD2 LEU 71 9.573 15.346 4.602 573 H GLN 72 HN GLN 72 11.033 14.135 1.312 574 HA GLN 72 HA GLN 72 11.797 16.669 2.393 575 HB2 GLN 72 1HB GLN 72 13.246 14.666 2.241 576 HB3 GLN 72 2HB GLN 72 13.302 14.877 0.475 577 HG2 GLN 72 1HG GLN 72 15.446 16.042 1.335 578 HG3 GLN 72 2HG GLN 72 14.066 17.048 0.836 579 HE21 GLN 72 2HE2 GLN 72 14.821 18.811 2.055 580 HE22 GLN 72 1HE2 GLN 72 14.706 18.843 3.783 581 H VAL 73 HN VAL 73 11.269 15.606 -0.946 582 HA VAL 73 HA VAL 73 12.175 18.131 -2.120 583 HB VAL 73 HB VAL 73 10.470 15.860 -3.226 584 HG11 VAL 73 1HG1 VAL 73 10.904 16.890 -5.432 585 HG12 VAL 73 2HG1 VAL 73 9.997 17.997 -4.375 586 HG13 VAL 73 3HG1 VAL 73 11.741 18.244 -4.636 587 HG21 VAL 73 3HG2 VAL 73 12.738 15.184 -2.708 588 HG22 VAL 73 1HG2 VAL 73 12.488 15.263 -4.468 589 HG23 VAL 73 2HG2 VAL 73 13.382 16.559 -3.637 590 H LEU 74 HN LEU 74 9.007 16.797 -1.245 591 HA LEU 74 HA LEU 74 7.526 19.102 -2.144 592 HB2 LEU 74 1HB LEU 74 7.123 17.019 -0.107 593 HB3 LEU 74 2HB LEU 74 5.801 18.170 -0.409 594 HG LEU 74 HG LEU 74 6.980 16.209 -2.416 595 HD11 LEU 74 1HD1 LEU 74 4.725 15.120 -2.285 596 HD12 LEU 74 2HD1 LEU 74 5.533 15.125 -0.700 597 HD13 LEU 74 3HD1 LEU 74 4.242 16.302 -1.046 598 HD21 LEU 74 3HD2 LEU 74 6.291 18.272 -3.488 599 HD22 LEU 74 1HD2 LEU 74 5.164 16.961 -3.911 600 HD23 LEU 74 2HD2 LEU 74 4.697 18.181 -2.702 601 H ARG 75 HN ARG 75 9.223 18.340 0.851 602 HA ARG 75 HA ARG 75 8.358 20.675 2.304 603 HB2 ARG 75 1HB ARG 75 9.371 18.782 3.373 604 HB3 ARG 75 2HB ARG 75 10.909 19.144 2.554 605 HG2 ARG 75 1HG ARG 75 11.099 21.248 3.738 606 HG3 ARG 75 2HG ARG 75 9.493 21.020 4.470 607 HD2 ARG 75 1HD ARG 75 10.306 19.128 5.708 608 HD3 ARG 75 2HD ARG 75 11.905 19.298 4.945 609 HE ARG 75 HE ARG 75 11.302 21.729 6.441 610 HH11 ARG 75 1HH1 ARG 75 12.118 18.384 6.989 611 HH12 ARG 75 2HH1 ARG 75 12.889 18.813 8.504 612 HH21 ARG 75 1HH2 ARG 75 12.174 22.236 8.176 613 HH22 ARG 75 2HH2 ARG 75 12.920 21.010 9.182 614 H ALA 76 HN ALA 76 10.858 20.132 -0.114 615 HA ALA 76 HA ALA 76 12.238 22.613 0.330 616 HB1 ALA 76 3HB ALA 76 12.061 20.892 -2.167 617 HB2 ALA 76 1HB ALA 76 13.237 22.196 -1.884 618 HB3 ALA 76 2HB ALA 76 13.267 20.736 -0.868 619 H ILE 77 HN ILE 77 9.283 21.807 -1.283 620 HA ILE 77 HA ILE 77 9.198 24.542 -2.531 621 HB ILE 77 HB ILE 77 7.401 23.643 -3.960 622 HG12 ILE 77 1HG1 ILE 77 7.918 20.973 -2.685 623 HG13 ILE 77 2HG1 ILE 77 6.591 22.063 -2.222 624 HG21 ILE 77 1HG2 ILE 77 8.726 22.040 -5.295 625 HG22 ILE 77 2HG2 ILE 77 9.732 23.402 -4.748 626 HG23 ILE 77 3HG2 ILE 77 9.847 21.826 -3.929 627 HD11 ILE 77 3HD1 ILE 77 7.018 20.851 -4.976 628 HD12 ILE 77 1HD1 ILE 77 5.811 20.323 -3.782 629 HD13 ILE 77 2HD1 ILE 77 5.691 21.942 -4.513 630 H ASN 78 HN ASN 78 8.500 23.348 0.297 631 HA ASN 78 HA ASN 78 7.136 24.203 1.974 632 HB2 ASN 78 1HB ASN 78 6.352 26.461 -0.019 633 HB3 ASN 78 2HB ASN 78 5.990 26.049 1.674 634 HD21 ASN 78 2HD2 ASN 78 7.481 28.280 0.257 635 HD22 ASN 78 1HD2 ASN 78 8.981 28.391 1.115 636 H GLN 79 HN GLN 79 6.211 22.056 0.378 637 HA GLN 79 HA GLN 79 3.273 22.552 0.292 638 HB2 GLN 79 1HB GLN 79 4.443 21.343 -1.559 639 HB3 GLN 79 2HB GLN 79 4.854 20.066 -0.389 640 HG2 GLN 79 1HG GLN 79 2.682 19.228 -1.513 641 HG3 GLN 79 2HG GLN 79 2.584 19.919 0.123 642 HE21 GLN 79 2HE2 GLN 79 0.341 20.297 -0.182 643 HE22 GLN 79 1HE2 GLN 79 -0.222 21.617 -1.150 644 H ARG 80 HN ARG 80 2.755 22.779 2.428 645 HA ARG 80 HA ARG 80 3.804 20.987 4.456 646 HB2 ARG 80 1HB ARG 80 1.661 23.052 4.485 647 HB3 ARG 80 2HB ARG 80 2.035 22.008 5.876 648 HG2 ARG 80 1HG ARG 80 4.348 22.861 5.883 649 HG3 ARG 80 2HG ARG 80 3.952 23.923 4.510 650 HD2 ARG 80 1HD ARG 80 2.409 25.149 5.855 651 HD3 ARG 80 2HD ARG 80 2.668 24.038 7.220 652 HE ARG 80 HE ARG 80 5.198 25.323 6.610 653 HH11 ARG 80 1HH1 ARG 80 2.058 26.164 7.869 654 HH12 ARG 80 2HH1 ARG 80 2.778 27.443 8.828 655 HH21 ARG 80 1HH2 ARG 80 6.037 26.789 7.694 656 HH22 ARG 80 2HH2 ARG 80 5.047 27.801 8.728 657 H LEU 81 HN LEU 81 0.817 21.116 2.572 658 HA LEU 81 HA LEU 81 -0.685 19.298 4.182 659 HB2 LEU 81 1HB LEU 81 -1.671 20.666 2.660 660 HB3 LEU 81 2HB LEU 81 -0.861 20.026 1.211 661 HG LEU 81 HG LEU 81 -1.995 17.815 1.674 662 HD11 LEU 81 1HD1 LEU 81 -4.025 17.883 3.148 663 HD12 LEU 81 2HD1 LEU 81 -2.545 18.237 4.070 664 HD13 LEU 81 3HD1 LEU 81 -3.631 19.562 3.585 665 HD21 LEU 81 3HD2 LEU 81 -2.792 19.312 -0.058 666 HD22 LEU 81 1HD2 LEU 81 -4.171 18.516 0.738 667 HD23 LEU 81 2HD2 LEU 81 -3.774 20.207 1.126 668 H LEU 82 HN LEU 82 1.111 18.637 1.156 669 HA LEU 82 HA LEU 82 0.563 15.788 1.375 670 HB2 LEU 82 1HB LEU 82 2.401 17.437 -0.228 671 HB3 LEU 82 2HB LEU 82 2.255 15.700 -0.584 672 HG LEU 82 HG LEU 82 0.080 17.814 -0.846 673 HD11 LEU 82 1HD1 LEU 82 0.190 17.220 -3.282 674 HD12 LEU 82 2HD1 LEU 82 1.757 17.821 -2.692 675 HD13 LEU 82 3HD1 LEU 82 1.504 16.075 -2.927 676 HD21 LEU 82 3HD2 LEU 82 -0.856 15.728 -0.039 677 HD22 LEU 82 1HD2 LEU 82 -1.334 15.993 -1.733 678 HD23 LEU 82 2HD2 LEU 82 -0.048 14.827 -1.342 679 H ALA 83 HN ALA 83 3.137 17.899 2.420 680 HA ALA 83 HA ALA 83 5.088 15.883 2.964 681 HB1 ALA 83 3HB ALA 83 4.560 18.509 4.398 682 HB2 ALA 83 1HB ALA 83 6.033 17.523 4.542 683 HB3 ALA 83 2HB ALA 83 5.618 18.278 2.985 684 H GLU 84 HN GLU 84 2.446 17.210 4.951 685 HA GLU 84 HA GLU 84 2.950 15.518 7.233 686 HB2 GLU 84 1HB GLU 84 1.593 17.535 7.349 687 HB3 GLU 84 2HB GLU 84 0.406 16.811 6.237 688 HG2 GLU 84 1HG GLU 84 -0.067 15.029 8.014 689 HG3 GLU 84 2HG GLU 84 1.145 15.895 8.985 690 H GLU 85 HN GLU 85 0.978 15.115 4.316 691 HA GLU 85 HA GLU 85 -0.306 12.684 5.128 692 HB2 GLU 85 1HB GLU 85 0.425 13.802 2.421 693 HB3 GLU 85 2HB GLU 85 -0.511 12.306 2.652 694 HG2 GLU 85 1HG GLU 85 -1.399 15.125 3.514 695 HG3 GLU 85 2HG GLU 85 -1.939 14.120 2.151 696 H LEU 86 HN LEU 86 2.808 13.306 3.567 697 HA LEU 86 HA LEU 86 3.391 10.454 3.264 698 HB2 LEU 86 1HB LEU 86 4.925 12.960 3.121 699 HB3 LEU 86 2HB LEU 86 5.769 11.429 2.788 700 HG LEU 86 HG LEU 86 3.459 12.618 1.204 701 HD11 LEU 86 1HD1 LEU 86 5.158 12.768 -0.635 702 HD12 LEU 86 2HD1 LEU 86 5.657 13.718 0.785 703 HD13 LEU 86 3HD1 LEU 86 6.393 12.128 0.473 704 HD21 LEU 86 3HD2 LEU 86 3.286 10.201 1.299 705 HD22 LEU 86 1HD2 LEU 86 3.778 10.711 -0.333 706 HD23 LEU 86 2HD2 LEU 86 4.983 10.032 0.788 707 H HIS 87 HN HIS 87 4.089 12.972 5.635 708 HA HIS 87 HA HIS 87 5.828 11.434 7.305 709 HB2 HIS 87 1HB HIS 87 5.502 13.839 7.682 710 HB3 HIS 87 2HB HIS 87 3.780 13.572 8.046 711 HD1 HIS 87 HD1 HIS 87 7.211 12.641 9.414 712 HD2 HIS 87 HD2 HIS 87 3.272 13.226 10.793 713 HE1 HIS 87 HE1 HIS 87 7.300 12.373 11.842 714 H ARG 88 HN ARG 88 2.281 11.632 7.177 715 HA ARG 88 HA ARG 88 1.931 9.745 9.372 716 HB2 ARG 88 1HB ARG 88 0.011 10.732 7.310 717 HB3 ARG 88 2HB ARG 88 -0.386 9.659 8.672 718 HG2 ARG 88 1HG ARG 88 0.234 11.389 10.264 719 HG3 ARG 88 2HG ARG 88 0.753 12.458 8.938 720 HD2 ARG 88 1HD ARG 88 -1.570 12.457 8.121 721 HD3 ARG 88 2HD ARG 88 -2.030 11.538 9.573 722 HE ARG 88 HE ARG 88 -1.479 14.454 9.560 723 HH11 ARG 88 1HH1 ARG 88 -1.728 11.590 11.532 724 HH12 ARG 88 2HH1 ARG 88 -1.961 12.584 12.957 725 HH21 ARG 88 1HH2 ARG 88 -1.753 15.607 11.180 726 HH22 ARG 88 2HH2 ARG 88 -1.977 14.874 12.757 727 H ALA 89 HN ALA 89 2.193 9.501 5.871 728 HA ALA 89 HA ALA 89 1.519 6.710 5.719 729 HB1 ALA 89 3HB ALA 89 3.340 8.384 3.956 730 HB2 ALA 89 1HB ALA 89 2.700 6.773 3.556 731 HB3 ALA 89 2HB ALA 89 1.589 8.152 3.735 732 H ALA 90 HN ALA 90 4.565 8.442 6.285 733 HA ALA 90 HA ALA 90 6.226 6.105 6.289 734 HB1 ALA 90 3HB ALA 90 6.600 8.766 7.705 735 HB2 ALA 90 1HB ALA 90 7.860 7.535 7.453 736 HB3 ALA 90 2HB ALA 90 7.139 8.370 6.056 737 H ILE 91 HN ILE 91 4.302 7.691 8.790 738 HA ILE 91 HA ILE 91 5.188 6.024 10.985 739 HB ILE 91 HB ILE 91 2.576 7.510 10.461 740 HG12 ILE 91 1HG1 ILE 91 4.794 8.124 12.392 741 HG13 ILE 91 2HG1 ILE 91 4.675 8.806 10.753 742 HG21 ILE 91 1HG2 ILE 91 2.075 7.120 12.850 743 HG22 ILE 91 2HG2 ILE 91 2.185 5.584 11.959 744 HG23 ILE 91 3HG2 ILE 91 3.533 6.111 12.991 745 HD11 ILE 91 3HD1 ILE 91 2.628 9.146 12.973 746 HD12 ILE 91 1HD1 ILE 91 3.794 10.376 12.436 747 HD13 ILE 91 2HD1 ILE 91 2.509 9.828 11.333 748 H GLN 92 HN GLN 92 2.686 5.608 8.526 749 HA GLN 92 HA GLN 92 1.698 3.140 9.703 750 HB2 GLN 92 1HB GLN 92 1.467 4.356 6.945 751 HB3 GLN 92 2HB GLN 92 0.670 2.841 7.436 752 HG2 GLN 92 1HG GLN 92 -0.668 4.346 9.254 753 HG3 GLN 92 2HG GLN 92 0.420 5.524 8.481 754 HE21 GLN 92 2HE2 GLN 92 -2.324 5.931 8.607 755 HE22 GLN 92 1HE2 GLN 92 -2.993 5.816 7.013 756 H LEU 93 HN LEU 93 4.288 3.972 7.519 757 HA LEU 93 HA LEU 93 4.781 1.201 6.717 758 HB2 LEU 93 1HB LEU 93 6.294 3.722 6.653 759 HB3 LEU 93 2HB LEU 93 7.034 2.268 5.945 760 HG LEU 93 HG LEU 93 4.470 3.624 5.021 761 HD11 LEU 93 1HD1 LEU 93 5.793 4.130 2.951 762 HD12 LEU 93 2HD1 LEU 93 6.538 4.864 4.390 763 HD13 LEU 93 3HD1 LEU 93 7.220 3.373 3.697 764 HD21 LEU 93 3HD2 LEU 93 4.344 1.217 4.755 765 HD22 LEU 93 1HD2 LEU 93 4.515 1.997 3.164 766 HD23 LEU 93 2HD2 LEU 93 5.916 1.199 3.920 Start of MODEL 5 1 H THR 4 1H THR 4 -1.139 -0.138 -1.489 2 HA THR 4 HA THR 4 1.097 -0.433 0.267 3 HB THR 4 HB THR 4 2.455 -0.709 -1.723 4 HG1 THR 4 HG1 THR 4 0.231 0.476 -3.071 5 HG21 THR 4 3HG2 THR 4 -0.346 -1.801 -2.204 6 HG22 THR 4 1HG2 THR 4 1.151 -2.413 -2.946 7 HG23 THR 4 2HG2 THR 4 0.904 -2.558 -1.189 8 HA PRO 5 HA PRO 5 2.975 3.458 0.833 9 HB2 PRO 5 1HB PRO 5 5.477 2.294 -0.461 10 HB3 PRO 5 2HB PRO 5 5.317 3.094 1.108 11 HG2 PRO 5 1HG PRO 5 5.592 0.447 1.023 12 HG3 PRO 5 2HG PRO 5 4.439 1.159 2.161 13 HD2 PRO 5 1HD PRO 5 3.886 -0.210 -0.502 14 HD3 PRO 5 2HD PRO 5 2.972 -0.310 1.009 15 H SER 6 HN SER 6 3.352 1.907 -2.310 16 HA SER 6 HA SER 6 4.231 4.269 -3.769 17 HB2 SER 6 1HB SER 6 3.901 3.095 -5.670 18 HB3 SER 6 2HB SER 6 4.589 1.993 -4.454 19 HG SER 6 HG SER 6 2.376 1.291 -4.104 20 H ASP 7 HN ASP 7 1.116 3.028 -2.684 21 HA ASP 7 HA ASP 7 -0.434 4.825 -4.423 22 HB2 ASP 7 1HB ASP 7 -1.341 3.140 -2.009 23 HB3 ASP 7 2HB ASP 7 -2.267 4.164 -3.135 24 H HIS 8 HN HIS 8 0.718 4.790 -1.080 25 HA HIS 8 HA HIS 8 -0.591 7.276 -0.356 26 HB2 HIS 8 1HB HIS 8 1.792 5.775 0.810 27 HB3 HIS 8 2HB HIS 8 1.134 7.275 1.509 28 HD1 HIS 8 HD1 HIS 8 1.096 4.919 3.288 29 HD2 HIS 8 HD2 HIS 8 -2.097 5.639 0.704 30 HE1 HIS 8 HE1 HIS 8 -0.764 3.741 4.262 31 H LEU 9 HN LEU 9 2.469 6.450 -1.887 32 HA LEU 9 HA LEU 9 3.467 9.178 -1.906 33 HB2 LEU 9 1HB LEU 9 3.941 6.771 -3.531 34 HB3 LEU 9 2HB LEU 9 4.951 8.209 -3.805 35 HG LEU 9 HG LEU 9 4.777 6.647 -1.199 36 HD11 LEU 9 1HD1 LEU 9 7.106 5.897 -1.758 37 HD12 LEU 9 2HD1 LEU 9 5.941 5.360 -2.990 38 HD13 LEU 9 3HD1 LEU 9 6.994 6.759 -3.309 39 HD21 LEU 9 3HD2 LEU 9 5.258 8.998 -0.857 40 HD22 LEU 9 1HD2 LEU 9 6.709 8.025 -0.516 41 HD23 LEU 9 2HD2 LEU 9 6.583 8.929 -2.044 42 H LEU 10 HN LEU 10 1.639 7.195 -4.222 43 HA LEU 10 HA LEU 10 1.474 9.193 -6.267 44 HB2 LEU 10 1HB LEU 10 1.029 6.971 -6.629 45 HB3 LEU 10 2HB LEU 10 -0.388 6.862 -5.559 46 HG LEU 10 HG LEU 10 -1.546 8.528 -7.033 47 HD11 LEU 10 1HD1 LEU 10 -0.603 8.887 -9.330 48 HD12 LEU 10 2HD1 LEU 10 0.492 9.514 -8.077 49 HD13 LEU 10 3HD1 LEU 10 0.840 7.958 -8.866 50 HD21 LEU 10 3HD2 LEU 10 -2.011 6.157 -7.233 51 HD22 LEU 10 1HD2 LEU 10 -2.062 6.923 -8.839 52 HD23 LEU 10 2HD2 LEU 10 -0.646 5.955 -8.358 53 H SER 11 HN SER 11 -0.479 8.599 -3.382 54 HA SER 11 HA SER 11 -2.750 10.216 -3.860 55 HB2 SER 11 1HB SER 11 -2.546 8.798 -2.014 56 HB3 SER 11 2HB SER 11 -1.284 9.839 -1.319 57 HG SER 11 HG SER 11 -3.370 10.299 -0.494 58 H THR 12 HN THR 12 0.445 11.167 -2.523 59 HA THR 12 HA THR 12 -0.356 13.959 -2.235 60 HB THR 12 HB THR 12 2.004 14.343 -1.625 61 HG1 THR 12 HG1 THR 12 3.424 12.501 -1.646 62 HG21 THR 12 3HG2 THR 12 0.870 11.801 -0.393 63 HG22 THR 12 1HG2 THR 12 2.115 12.844 0.334 64 HG23 THR 12 2HG2 THR 12 0.463 13.463 0.095 65 H LEU 13 HN LEU 13 1.117 12.041 -4.733 66 HA LEU 13 HA LEU 13 2.075 14.365 -6.243 67 HB2 LEU 13 1HB LEU 13 1.586 11.527 -6.855 68 HB3 LEU 13 2HB LEU 13 2.337 12.568 -8.087 69 HG LEU 13 HG LEU 13 3.497 11.842 -5.368 70 HD11 LEU 13 1HD1 LEU 13 5.252 10.675 -6.730 71 HD12 LEU 13 2HD1 LEU 13 3.634 10.007 -7.050 72 HD13 LEU 13 3HD1 LEU 13 4.380 11.128 -8.213 73 HD21 LEU 13 3HD2 LEU 13 4.065 14.119 -5.978 74 HD22 LEU 13 1HD2 LEU 13 5.503 13.079 -6.108 75 HD23 LEU 13 2HD2 LEU 13 4.631 13.581 -7.577 76 H GLU 14 HN GLU 14 -0.874 12.507 -6.018 77 HA GLU 14 HA GLU 14 -2.089 13.729 -8.379 78 HB2 GLU 14 1HB GLU 14 -3.194 12.271 -5.978 79 HB3 GLU 14 2HB GLU 14 -4.206 12.915 -7.294 80 HG2 GLU 14 1HG GLU 14 -2.987 11.383 -8.919 81 HG3 GLU 14 2HG GLU 14 -2.026 10.881 -7.509 82 H GLU 15 HN GLU 15 -1.846 14.514 -4.958 83 HA GLU 15 HA GLU 15 -3.764 16.678 -5.012 84 HB2 GLU 15 1HB GLU 15 -1.381 16.082 -3.256 85 HB3 GLU 15 2HB GLU 15 -2.485 17.455 -3.000 86 HG2 GLU 15 1HG GLU 15 -3.239 14.477 -2.814 87 HG3 GLU 15 2HG GLU 15 -3.034 15.699 -1.538 88 H LEU 16 HN LEU 16 -0.381 16.411 -5.902 89 HA LEU 16 HA LEU 16 0.015 19.277 -6.207 90 HB2 LEU 16 1HB LEU 16 1.306 16.861 -7.284 91 HB3 LEU 16 2HB LEU 16 2.029 18.449 -7.625 92 HG LEU 16 HG LEU 16 1.683 17.174 -4.884 93 HD11 LEU 16 1HD1 LEU 16 4.191 17.103 -4.890 94 HD12 LEU 16 2HD1 LEU 16 3.514 16.153 -6.234 95 HD13 LEU 16 3HD1 LEU 16 4.191 17.771 -6.539 96 HD21 LEU 16 3HD2 LEU 16 1.421 19.582 -4.782 97 HD22 LEU 16 1HD2 LEU 16 2.970 19.108 -4.045 98 HD23 LEU 16 2HD2 LEU 16 2.941 19.815 -5.679 99 H VAL 17 HN VAL 17 -0.437 20.605 -7.796 100 HA VAL 17 HA VAL 17 -1.843 19.667 -10.209 101 HB VAL 17 HB VAL 17 -1.759 22.012 -10.900 102 HG11 VAL 17 1HG1 VAL 17 -2.966 23.038 -9.002 103 HG12 VAL 17 2HG1 VAL 17 -3.495 21.359 -9.266 104 HG13 VAL 17 3HG1 VAL 17 -2.383 21.742 -7.931 105 HG21 VAL 17 3HG2 VAL 17 0.500 22.536 -10.198 106 HG22 VAL 17 1HG2 VAL 17 -0.657 23.718 -9.540 107 HG23 VAL 17 2HG2 VAL 17 0.010 22.446 -8.488 108 HA PRO 18 HA PRO 18 1.135 18.727 -13.074 109 HB2 PRO 18 1HB PRO 18 0.150 21.075 -14.772 110 HB3 PRO 18 2HB PRO 18 0.396 19.391 -15.257 111 HG2 PRO 18 1HG PRO 18 -2.080 20.269 -14.812 112 HG3 PRO 18 2HG PRO 18 -1.617 18.661 -14.239 113 HD2 PRO 18 1HD PRO 18 -1.971 21.218 -12.645 114 HD3 PRO 18 2HD PRO 18 -2.321 19.552 -12.167 115 H TYR 19 HN TYR 19 0.895 22.134 -12.230 116 HA TYR 19 HA TYR 19 3.572 22.736 -13.263 117 HB2 TYR 19 1HB TYR 19 1.645 24.254 -11.497 118 HB3 TYR 19 2HB TYR 19 3.220 24.882 -12.040 119 HD1 TYR 19 HD2 TYR 19 3.603 25.251 -14.498 120 HD2 TYR 19 HD1 TYR 19 -0.254 24.323 -12.936 121 HE1 TYR 19 HE2 TYR 19 2.571 26.064 -16.592 122 HE2 TYR 19 HE1 TYR 19 -1.306 25.134 -15.027 123 HH TYR 19 HH TYR 19 -0.967 26.029 -17.087 124 H ASP 20 HN ASP 20 2.150 21.894 -10.151 125 HA ASP 20 HA ASP 20 4.707 22.379 -8.750 126 HB2 ASP 20 1HB ASP 20 2.009 21.282 -7.753 127 HB3 ASP 20 2HB ASP 20 3.560 21.425 -6.888 128 H PHE 21 HN PHE 21 2.992 19.732 -10.232 129 HA PHE 21 HA PHE 21 4.713 17.655 -9.135 130 HB2 PHE 21 1HB PHE 21 2.521 17.105 -10.131 131 HB3 PHE 21 2HB PHE 21 3.068 17.730 -11.702 132 HD1 PHE 21 HD1 PHE 21 3.939 15.195 -9.112 133 HD2 PHE 21 HD2 PHE 21 3.980 16.308 -13.236 134 HE1 PHE 21 HE1 PHE 21 4.792 12.952 -9.707 135 HE2 PHE 21 HE2 PHE 21 4.831 14.065 -13.835 136 HZ PHE 21 HZ PHE 21 5.238 12.388 -12.069 137 H GLU 22 HN GLU 22 4.747 19.571 -12.146 138 HA GLU 22 HA GLU 22 7.222 18.602 -13.162 139 HB2 GLU 22 1HB GLU 22 5.694 20.089 -14.373 140 HB3 GLU 22 2HB GLU 22 6.088 21.403 -13.239 141 HG2 GLU 22 1HG GLU 22 8.475 21.377 -14.074 142 HG3 GLU 22 2HG GLU 22 7.981 19.988 -15.070 143 H LYS 23 HN LYS 23 6.605 21.286 -10.888 144 HA LYS 23 HA LYS 23 9.347 21.856 -10.322 145 HB2 LYS 23 1HB LYS 23 7.363 23.215 -9.659 146 HB3 LYS 23 2HB LYS 23 7.000 21.985 -8.426 147 HG2 LYS 23 1HG LYS 23 9.195 22.429 -7.366 148 HG3 LYS 23 2HG LYS 23 9.506 23.696 -8.577 149 HD2 LYS 23 1HD LYS 23 7.468 24.891 -7.802 150 HD3 LYS 23 2HD LYS 23 7.250 23.652 -6.544 151 HE2 LYS 23 1HE LYS 23 9.578 24.229 -5.733 152 HE3 LYS 23 2HE LYS 23 9.535 25.618 -6.844 153 HZ1 LYS 23 3HZ LYS 23 7.637 25.126 -4.638 154 HZ2 LYS 23 1HZ LYS 23 8.860 26.233 -4.623 155 HZ3 LYS 23 2HZ LYS 23 7.596 26.414 -5.668 156 H PHE 24 HN PHE 24 7.102 19.528 -8.835 157 HA PHE 24 HA PHE 24 8.846 18.529 -6.833 158 HB2 PHE 24 1HB PHE 24 6.441 17.916 -7.007 159 HB3 PHE 24 2HB PHE 24 6.796 16.981 -8.476 160 HD1 PHE 24 HD2 PHE 24 8.140 14.937 -8.348 161 HD2 PHE 24 HD1 PHE 24 6.895 17.064 -4.858 162 HE1 PHE 24 HE2 PHE 24 8.606 12.940 -6.966 163 HE2 PHE 24 HE1 PHE 24 7.363 15.071 -3.473 164 HZ PHE 24 HZ PHE 24 8.218 13.008 -4.528 165 H LYS 25 HN LYS 25 8.496 17.500 -10.229 166 HA LYS 25 HA LYS 25 10.427 15.383 -10.062 167 HB2 LYS 25 1HB LYS 25 9.480 17.077 -12.376 168 HB3 LYS 25 2HB LYS 25 10.553 15.667 -12.538 169 HG2 LYS 25 1HG LYS 25 8.774 14.245 -11.534 170 HG3 LYS 25 2HG LYS 25 7.701 15.664 -11.494 171 HD2 LYS 25 1HD LYS 25 8.989 14.583 -14.020 172 HD3 LYS 25 2HD LYS 25 7.361 14.126 -13.466 173 HE2 LYS 25 1HE LYS 25 6.696 16.507 -13.518 174 HE3 LYS 25 2HE LYS 25 8.310 16.929 -14.134 175 HZ1 LYS 25 3HZ LYS 25 6.358 15.187 -15.497 176 HZ2 LYS 25 1HZ LYS 25 6.703 16.748 -15.908 177 HZ3 LYS 25 2HZ LYS 25 7.855 15.578 -16.068 178 H PHE 26 HN PHE 26 10.739 18.826 -10.842 179 HA PHE 26 HA PHE 26 13.529 18.618 -11.620 180 HB2 PHE 26 1HB PHE 26 11.806 20.992 -10.793 181 HB3 PHE 26 2HB PHE 26 13.473 21.124 -11.397 182 HD1 PHE 26 HD1 PHE 26 12.355 18.477 -13.177 183 HD2 PHE 26 HD2 PHE 26 11.636 22.668 -12.781 184 HE1 PHE 26 HE1 PHE 26 11.510 18.549 -15.500 185 HE2 PHE 26 HE2 PHE 26 10.788 22.745 -15.102 186 HZ PHE 26 HZ PHE 26 10.727 20.684 -16.461 187 H LYS 27 HN LYS 27 11.852 19.029 -8.582 188 HA LYS 27 HA LYS 27 14.264 19.927 -7.163 189 HB2 LYS 27 1HB LYS 27 11.478 19.137 -6.341 190 HB3 LYS 27 2HB LYS 27 12.768 19.446 -5.154 191 HG2 LYS 27 1HG LYS 27 11.736 21.430 -7.211 192 HG3 LYS 27 2HG LYS 27 11.318 21.420 -5.481 193 HD2 LYS 27 1HD LYS 27 13.721 21.716 -4.930 194 HD3 LYS 27 2HD LYS 27 14.086 21.811 -6.669 195 HE2 LYS 27 1HE LYS 27 12.657 23.786 -6.879 196 HE3 LYS 27 2HE LYS 27 12.241 23.682 -5.153 197 HZ1 LYS 27 3HZ LYS 27 14.942 24.159 -6.239 198 HZ2 LYS 27 1HZ LYS 27 13.968 25.301 -5.556 199 HZ3 LYS 27 2HZ LYS 27 14.557 24.063 -4.638 200 H LEU 28 HN LEU 28 12.581 16.899 -7.752 201 HA LEU 28 HA LEU 28 14.073 15.302 -5.889 202 HB2 LEU 28 1HB LEU 28 12.109 14.632 -6.917 203 HB3 LEU 28 2HB LEU 28 12.769 14.566 -8.568 204 HG LEU 28 HG LEU 28 14.378 12.805 -7.772 205 HD11 LEU 28 1HD1 LEU 28 13.818 11.630 -5.627 206 HD12 LEU 28 2HD1 LEU 28 14.254 13.330 -5.338 207 HD13 LEU 28 3HD1 LEU 28 12.544 12.833 -5.318 208 HD21 LEU 28 3HD2 LEU 28 12.380 12.207 -9.009 209 HD22 LEU 28 1HD2 LEU 28 12.718 10.975 -7.770 210 HD23 LEU 28 2HD2 LEU 28 11.425 12.170 -7.507 211 H GLN 29 HN GLN 29 14.759 16.385 -9.186 212 HA GLN 29 HA GLN 29 17.170 14.868 -9.529 213 HB2 GLN 29 1HB GLN 29 16.293 17.550 -10.616 214 HB3 GLN 29 2HB GLN 29 17.764 16.693 -11.133 215 HG2 GLN 29 1HG GLN 29 16.139 14.754 -12.051 216 HG3 GLN 29 2HG GLN 29 15.001 15.847 -11.231 217 HE21 GLN 29 2HE2 GLN 29 14.734 15.011 -13.912 218 HE22 GLN 29 1HE2 GLN 29 14.929 16.393 -14.938 219 H ASN 30 HN ASN 30 16.515 17.971 -7.974 220 HA ASN 30 HA ASN 30 19.364 18.500 -7.501 221 HB2 ASN 30 1HB ASN 30 16.930 20.034 -6.314 222 HB3 ASN 30 2HB ASN 30 18.701 20.102 -6.141 223 HD21 ASN 30 2HD2 ASN 30 16.661 21.998 -7.227 224 HD22 ASN 30 1HD2 ASN 30 17.246 22.423 -8.802 225 H THR 31 HN THR 31 16.733 16.939 -5.805 226 HA THR 31 HA THR 31 17.905 16.998 -3.178 227 HB THR 31 HB THR 31 16.021 14.937 -4.401 228 HG1 THR 31 HG1 THR 31 15.505 17.297 -2.865 229 HG21 THR 31 3HG2 THR 31 16.640 15.636 -1.503 230 HG22 THR 31 1HG2 THR 31 15.413 14.471 -2.053 231 HG23 THR 31 2HG2 THR 31 17.139 14.149 -2.344 232 H SER 32 HN SER 32 19.295 15.763 -2.128 233 HA SER 32 HA SER 32 21.315 14.288 -3.584 234 HB2 SER 32 1HB SER 32 22.268 13.807 -1.579 235 HB3 SER 32 2HB SER 32 21.686 15.487 -1.551 236 HG SER 32 HG SER 32 21.214 14.350 0.381 237 H VAL 33 HN VAL 33 21.917 12.028 -2.916 238 HA VAL 33 HA VAL 33 19.470 10.271 -3.083 239 HB VAL 33 HB VAL 33 20.848 8.697 -4.348 240 HG11 VAL 33 1HG1 VAL 33 21.167 10.005 -6.422 241 HG12 VAL 33 2HG1 VAL 33 19.636 10.435 -5.622 242 HG13 VAL 33 3HG1 VAL 33 21.045 11.515 -5.487 243 HG21 VAL 33 3HG2 VAL 33 22.992 9.154 -3.316 244 HG22 VAL 33 1HG2 VAL 33 23.105 9.264 -5.089 245 HG23 VAL 33 2HG2 VAL 33 23.053 10.748 -4.107 246 H GLN 34 HN GLN 34 19.795 8.047 -2.382 247 HA GLN 34 HA GLN 34 20.832 8.213 0.381 248 HB2 GLN 34 1HB GLN 34 19.316 6.033 -1.070 249 HB3 GLN 34 2HB GLN 34 19.705 6.059 0.666 250 HG2 GLN 34 1HG GLN 34 17.631 7.999 -0.681 251 HG3 GLN 34 2HG GLN 34 17.583 6.534 0.326 252 HE21 GLN 34 2HE2 GLN 34 17.640 9.918 0.292 253 HE22 GLN 34 1HE2 GLN 34 17.969 10.188 1.972 254 H LYS 35 HN LYS 35 22.090 6.562 1.356 255 HA LYS 35 HA LYS 35 24.430 6.033 -0.315 256 HB2 LYS 35 1HB LYS 35 24.579 6.752 2.035 257 HB3 LYS 35 2HB LYS 35 23.805 5.228 2.530 258 HG2 LYS 35 1HG LYS 35 25.695 3.948 1.682 259 HG3 LYS 35 2HG LYS 35 26.455 5.433 1.062 260 HD2 LYS 35 1HD LYS 35 26.636 6.307 3.353 261 HD3 LYS 35 2HD LYS 35 25.862 4.832 3.979 262 HE2 LYS 35 1HE LYS 35 27.713 3.482 3.083 263 HE3 LYS 35 2HE LYS 35 28.488 4.958 2.466 264 HZ1 LYS 35 3HZ LYS 35 27.952 4.364 5.304 265 HZ2 LYS 35 1HZ LYS 35 29.425 4.274 4.568 266 HZ3 LYS 35 2HZ LYS 35 28.671 5.734 4.732 267 H GLU 36 HN GLU 36 25.047 4.273 -1.305 268 HA GLU 36 HA GLU 36 24.926 2.130 -2.195 269 HB2 GLU 36 1HB GLU 36 23.834 1.536 0.558 270 HB3 GLU 36 2HB GLU 36 24.305 0.312 -0.645 271 HG2 GLU 36 1HG GLU 36 26.697 1.208 -0.523 272 HG3 GLU 36 2HG GLU 36 26.045 2.359 0.664 273 H HIS 37 HN HIS 37 22.761 3.922 -2.695 274 HA HIS 37 HA HIS 37 20.865 1.771 -3.543 275 HB2 HIS 37 1HB HIS 37 20.112 4.546 -2.521 276 HB3 HIS 37 2HB HIS 37 18.995 3.434 -3.349 277 HD1 HIS 37 HD1 HIS 37 18.539 1.113 -2.081 278 HD2 HIS 37 HD2 HIS 37 20.349 4.102 0.275 279 HE1 HIS 37 HE1 HIS 37 18.137 0.475 0.243 280 H SER 38 HN SER 38 19.621 2.297 -5.457 281 HA SER 38 HA SER 38 21.523 3.104 -7.550 282 HB2 SER 38 1HB SER 38 18.720 2.174 -7.682 283 HB3 SER 38 2HB SER 38 19.801 2.505 -9.054 284 HG SER 38 HG SER 38 19.807 0.302 -8.431 285 H ARG 39 HN ARG 39 21.494 4.891 -8.813 286 HA ARG 39 HA ARG 39 19.752 7.140 -7.948 287 HB2 ARG 39 1HB ARG 39 22.086 7.111 -9.808 288 HB3 ARG 39 2HB ARG 39 21.133 8.531 -9.320 289 HG2 ARG 39 1HG ARG 39 21.825 8.180 -6.980 290 HG3 ARG 39 2HG ARG 39 22.795 6.775 -7.486 291 HD2 ARG 39 1HD ARG 39 23.228 9.569 -8.483 292 HD3 ARG 39 2HD ARG 39 24.056 8.865 -7.075 293 HE ARG 39 HE ARG 39 24.583 7.230 -9.445 294 HH11 ARG 39 1HH1 ARG 39 25.450 10.292 -8.020 295 HH12 ARG 39 2HH1 ARG 39 27.008 10.230 -8.821 296 HH21 ARG 39 1HH2 ARG 39 26.360 7.148 -10.375 297 HH22 ARG 39 2HH2 ARG 39 27.528 8.438 -10.164 298 H ILE 40 HN ILE 40 18.283 8.157 -9.155 299 HA ILE 40 HA ILE 40 17.342 6.673 -11.565 300 HB ILE 40 HB ILE 40 16.076 8.978 -10.014 301 HG12 ILE 40 1HG1 ILE 40 15.296 6.078 -9.996 302 HG13 ILE 40 2HG1 ILE 40 16.348 6.836 -8.778 303 HG21 ILE 40 1HG2 ILE 40 14.042 8.385 -11.287 304 HG22 ILE 40 2HG2 ILE 40 15.363 8.862 -12.377 305 HG23 ILE 40 3HG2 ILE 40 14.957 7.142 -12.170 306 HD11 ILE 40 3HD1 ILE 40 13.480 7.631 -9.393 307 HD12 ILE 40 1HD1 ILE 40 14.020 6.695 -7.981 308 HD13 ILE 40 2HD1 ILE 40 14.533 8.389 -8.174 309 HA PRO 41 HA PRO 41 19.290 9.434 -14.384 310 HB2 PRO 41 1HB PRO 41 17.039 8.331 -16.114 311 HB3 PRO 41 2HB PRO 41 18.766 8.433 -16.484 312 HG2 PRO 41 1HG PRO 41 17.706 6.071 -15.851 313 HG3 PRO 41 2HG PRO 41 19.294 6.509 -15.207 314 HD2 PRO 41 1HD PRO 41 16.597 6.530 -13.795 315 HD3 PRO 41 2HD PRO 41 18.175 6.043 -13.165 316 H ARG 42 HN ARG 42 19.014 11.460 -14.772 317 HA ARG 42 HA ARG 42 16.725 12.832 -13.716 318 HB2 ARG 42 1HB ARG 42 18.934 13.766 -15.485 319 HB3 ARG 42 2HB ARG 42 17.636 14.806 -14.856 320 HG2 ARG 42 1HG ARG 42 18.333 14.353 -12.570 321 HG3 ARG 42 2HG ARG 42 19.575 13.216 -13.149 322 HD2 ARG 42 1HD ARG 42 20.699 15.066 -14.271 323 HD3 ARG 42 2HD ARG 42 19.484 16.182 -13.604 324 HE ARG 42 HE ARG 42 20.756 14.930 -11.352 325 HH11 ARG 42 1HH1 ARG 42 21.739 16.957 -14.013 326 HH12 ARG 42 2HH1 ARG 42 23.000 17.660 -13.020 327 HH21 ARG 42 1HH2 ARG 42 22.200 15.720 -10.204 328 HH22 ARG 42 2HH2 ARG 42 23.264 16.956 -10.847 329 H SER 43 HN SER 43 17.540 11.717 -16.955 330 HA SER 43 HA SER 43 15.487 13.089 -18.451 331 HB2 SER 43 1HB SER 43 16.837 10.503 -18.931 332 HB3 SER 43 2HB SER 43 15.742 11.352 -20.046 333 HG SER 43 HG SER 43 17.948 11.833 -20.430 334 H GLN 44 HN GLN 44 15.520 10.115 -16.493 335 HA GLN 44 HA GLN 44 12.824 9.322 -17.308 336 HB2 GLN 44 1HB GLN 44 14.648 8.439 -15.062 337 HB3 GLN 44 2HB GLN 44 13.057 7.721 -15.406 338 HG2 GLN 44 1HG GLN 44 15.558 7.432 -17.286 339 HG3 GLN 44 2HG GLN 44 14.637 6.413 -16.156 340 HE21 GLN 44 2HE2 GLN 44 15.068 7.228 -19.354 341 HE22 GLN 44 1HE2 GLN 44 13.546 6.700 -19.990 342 H ILE 45 HN ILE 45 14.267 11.027 -14.566 343 HA ILE 45 HA ILE 45 11.931 11.076 -12.901 344 HB ILE 45 HB ILE 45 14.255 13.031 -13.184 345 HG12 ILE 45 1HG1 ILE 45 13.652 11.027 -11.028 346 HG13 ILE 45 2HG1 ILE 45 14.725 10.726 -12.415 347 HG21 ILE 45 1HG2 ILE 45 13.498 13.975 -11.029 348 HG22 ILE 45 2HG2 ILE 45 12.261 14.187 -12.289 349 HG23 ILE 45 3HG2 ILE 45 12.072 12.912 -11.063 350 HD11 ILE 45 3HD1 ILE 45 15.112 12.873 -10.298 351 HD12 ILE 45 1HD1 ILE 45 16.015 11.345 -10.409 352 HD13 ILE 45 2HD1 ILE 45 16.184 12.574 -11.686 353 H GLN 46 HN GLN 46 12.997 13.339 -15.423 354 HA GLN 46 HA GLN 46 10.743 15.120 -14.860 355 HB2 GLN 46 1HB GLN 46 11.590 16.470 -16.597 356 HB3 GLN 46 2HB GLN 46 12.988 15.856 -15.684 357 HG2 GLN 46 1HG GLN 46 13.327 14.098 -17.714 358 HG3 GLN 46 2HG GLN 46 11.840 14.958 -18.179 359 HE21 GLN 46 2HE2 GLN 46 14.106 14.751 -19.835 360 HE22 GLN 46 1HE2 GLN 46 14.789 16.330 -20.035 361 H ARG 47 HN ARG 47 11.120 12.251 -16.611 362 HA ARG 47 HA ARG 47 8.807 12.951 -18.389 363 HB2 ARG 47 1HB ARG 47 10.920 10.876 -18.770 364 HB3 ARG 47 2HB ARG 47 9.480 11.111 -19.788 365 HG2 ARG 47 1HG ARG 47 11.603 13.227 -19.338 366 HG3 ARG 47 2HG ARG 47 11.605 12.093 -20.710 367 HD2 ARG 47 1HD ARG 47 9.397 12.975 -21.354 368 HD3 ARG 47 2HD ARG 47 9.566 14.196 -20.070 369 HE ARG 47 HE ARG 47 11.813 14.500 -21.869 370 HH11 ARG 47 1HH1 ARG 47 8.347 14.877 -21.945 371 HH12 ARG 47 2HH1 ARG 47 8.506 16.143 -23.147 372 HH21 ARG 47 1HH2 ARG 47 12.011 15.941 -23.252 373 HH22 ARG 47 2HH2 ARG 47 10.595 16.750 -23.894 374 H ALA 48 HN ALA 48 9.426 11.532 -15.519 375 HA ALA 48 HA ALA 48 7.833 9.101 -15.900 376 HB1 ALA 48 3HB ALA 48 8.904 10.415 -13.380 377 HB2 ALA 48 1HB ALA 48 8.149 8.806 -13.473 378 HB3 ALA 48 2HB ALA 48 9.695 9.115 -14.302 379 H ARG 49 HN ARG 49 5.746 8.775 -15.504 380 HA ARG 49 HA ARG 49 3.998 10.995 -14.771 381 HB2 ARG 49 1HB ARG 49 3.516 8.080 -15.146 382 HB3 ARG 49 2HB ARG 49 2.273 9.230 -14.602 383 HG2 ARG 49 1HG ARG 49 2.721 10.554 -16.703 384 HG3 ARG 49 2HG ARG 49 3.744 9.205 -17.251 385 HD2 ARG 49 1HD ARG 49 1.880 7.732 -17.268 386 HD3 ARG 49 2HD ARG 49 0.835 8.982 -16.553 387 HE ARG 49 HE ARG 49 1.798 9.886 -19.164 388 HH11 ARG 49 1HH1 ARG 49 -0.445 7.624 -17.745 389 HH12 ARG 49 2HH1 ARG 49 -1.468 7.739 -19.163 390 HH21 ARG 49 1HH2 ARG 49 0.641 10.022 -20.799 391 HH22 ARG 49 2HH2 ARG 49 -0.849 9.106 -20.906 392 HA PRO 50 HA PRO 50 3.822 10.982 -10.432 393 HB2 PRO 50 1HB PRO 50 0.858 10.291 -10.725 394 HB3 PRO 50 2HB PRO 50 1.601 11.575 -9.761 395 HG2 PRO 50 1HG PRO 50 0.410 12.202 -12.058 396 HG3 PRO 50 2HG PRO 50 1.944 12.978 -11.642 397 HD2 PRO 50 1HD PRO 50 1.420 10.745 -13.632 398 HD3 PRO 50 2HD PRO 50 2.579 12.076 -13.734 399 H VAL 51 HN VAL 51 2.069 8.334 -12.026 400 HA VAL 51 HA VAL 51 2.364 6.490 -9.789 401 HB VAL 51 HB VAL 51 1.943 6.017 -12.770 402 HG11 VAL 51 1HG1 VAL 51 1.315 3.721 -12.103 403 HG12 VAL 51 2HG1 VAL 51 3.008 4.069 -11.681 404 HG13 VAL 51 3HG1 VAL 51 1.752 4.090 -10.419 405 HG21 VAL 51 3HG2 VAL 51 0.104 7.197 -11.725 406 HG22 VAL 51 1HG2 VAL 51 -0.363 5.528 -12.129 407 HG23 VAL 51 2HG2 VAL 51 0.014 5.962 -10.445 408 H LYS 52 HN LYS 52 4.341 7.211 -12.636 409 HA LYS 52 HA LYS 52 6.167 5.002 -12.119 410 HB2 LYS 52 1HB LYS 52 6.382 7.485 -13.828 411 HB3 LYS 52 2HB LYS 52 7.601 6.189 -13.773 412 HG2 LYS 52 1HG LYS 52 5.916 4.579 -14.590 413 HG3 LYS 52 2HG LYS 52 4.714 5.889 -14.670 414 HD2 LYS 52 1HD LYS 52 6.094 7.077 -16.314 415 HD3 LYS 52 2HD LYS 52 7.327 5.797 -16.216 416 HE2 LYS 52 1HE LYS 52 5.659 4.156 -17.016 417 HE3 LYS 52 2HE LYS 52 4.462 5.464 -17.162 418 HZ1 LYS 52 3HZ LYS 52 7.005 5.295 -18.648 419 HZ2 LYS 52 1HZ LYS 52 5.510 4.979 -19.268 420 HZ3 LYS 52 2HZ LYS 52 5.896 6.507 -18.782 421 H MET 53 HN MET 53 5.896 8.283 -11.006 422 HA MET 53 HA MET 53 8.641 8.646 -10.202 423 HB2 MET 53 1HB MET 53 6.036 9.829 -9.256 424 HB3 MET 53 2HB MET 53 7.626 10.319 -8.625 425 HG2 MET 53 1HG MET 53 6.792 10.493 -11.535 426 HG3 MET 53 2HG MET 53 6.709 11.846 -10.382 427 HE1 MET 53 3HE MET 53 9.219 11.826 -8.672 428 HE2 MET 53 1HE MET 53 10.394 12.716 -9.670 429 HE3 MET 53 2HE MET 53 8.698 13.254 -9.600 430 H ALA 54 HN ALA 54 5.763 7.565 -8.383 431 HA ALA 54 HA ALA 54 7.223 6.979 -5.984 432 HB1 ALA 54 3HB ALA 54 4.620 5.805 -7.022 433 HB2 ALA 54 1HB ALA 54 5.234 5.663 -5.359 434 HB3 ALA 54 2HB ALA 54 4.784 7.257 -6.007 435 H THR 55 HN THR 55 6.334 5.000 -8.800 436 HA THR 55 HA THR 55 7.314 2.511 -7.785 437 HB THR 55 HB THR 55 7.169 3.517 -10.659 438 HG1 THR 55 HG1 THR 55 5.212 2.260 -10.621 439 HG21 THR 55 3HG2 THR 55 7.444 0.696 -9.547 440 HG22 THR 55 1HG2 THR 55 7.224 1.121 -11.260 441 HG23 THR 55 2HG2 THR 55 8.711 1.602 -10.408 442 H LEU 56 HN LEU 56 8.939 5.108 -9.581 443 HA LEU 56 HA LEU 56 11.409 3.676 -9.938 444 HB2 LEU 56 1HB LEU 56 10.328 6.305 -10.195 445 HB3 LEU 56 2HB LEU 56 12.077 6.407 -9.888 446 HG LEU 56 HG LEU 56 12.617 5.286 -11.887 447 HD11 LEU 56 1HD1 LEU 56 10.905 4.124 -13.306 448 HD12 LEU 56 2HD1 LEU 56 10.955 3.440 -11.665 449 HD13 LEU 56 3HD1 LEU 56 9.650 4.561 -12.122 450 HD21 LEU 56 3HD2 LEU 56 11.885 7.564 -12.284 451 HD22 LEU 56 1HD2 LEU 56 11.443 6.535 -13.666 452 HD23 LEU 56 2HD2 LEU 56 10.203 7.019 -12.485 453 H LEU 57 HN LEU 57 10.305 5.939 -7.427 454 HA LEU 57 HA LEU 57 12.819 6.010 -6.029 455 HB2 LEU 57 1HB LEU 57 10.006 6.434 -5.283 456 HB3 LEU 57 2HB LEU 57 11.263 6.785 -4.075 457 HG LEU 57 HG LEU 57 10.955 8.147 -6.779 458 HD11 LEU 57 1HD1 LEU 57 10.326 10.160 -5.421 459 HD12 LEU 57 2HD1 LEU 57 9.189 8.818 -5.152 460 HD13 LEU 57 3HD1 LEU 57 10.443 9.179 -3.941 461 HD21 LEU 57 3HD2 LEU 57 13.274 7.993 -6.090 462 HD22 LEU 57 1HD2 LEU 57 12.714 9.678 -5.963 463 HD23 LEU 57 2HD2 LEU 57 12.877 8.681 -4.497 464 H VAL 58 HN VAL 58 9.996 3.896 -5.783 465 HA VAL 58 HA VAL 58 10.994 2.442 -3.447 466 HB VAL 58 HB VAL 58 8.913 1.755 -5.563 467 HG11 VAL 58 1HG1 VAL 58 8.247 -0.071 -4.035 468 HG12 VAL 58 2HG1 VAL 58 9.917 -0.292 -4.610 469 HG13 VAL 58 3HG1 VAL 58 9.614 0.323 -2.967 470 HG21 VAL 58 3HG2 VAL 58 8.291 3.627 -4.155 471 HG22 VAL 58 1HG2 VAL 58 7.308 2.194 -3.773 472 HG23 VAL 58 2HG2 VAL 58 8.642 2.671 -2.696 473 H THR 59 HN THR 59 11.206 1.955 -6.948 474 HA THR 59 HA THR 59 12.421 -0.669 -6.689 475 HB THR 59 HB THR 59 12.410 1.298 -9.016 476 HG1 THR 59 HG1 THR 59 10.336 0.481 -8.390 477 HG21 THR 59 3HG2 THR 59 13.111 -1.662 -8.916 478 HG22 THR 59 1HG2 THR 59 13.007 -0.667 -10.387 479 HG23 THR 59 2HG2 THR 59 14.263 -0.331 -9.171 480 H TYR 60 HN TYR 60 13.707 2.612 -7.146 481 HA TYR 60 HA TYR 60 16.423 1.566 -7.566 482 HB2 TYR 60 1HB TYR 60 15.145 4.283 -7.467 483 HB3 TYR 60 2HB TYR 60 16.915 4.102 -7.396 484 HD1 TYR 60 HD1 TYR 60 13.952 3.124 -9.468 485 HD2 TYR 60 HD2 TYR 60 18.135 3.949 -9.389 486 HE1 TYR 60 HE1 TYR 60 14.026 2.944 -11.938 487 HE2 TYR 60 HE2 TYR 60 18.228 3.773 -11.852 488 HH TYR 60 HH TYR 60 17.054 3.395 -13.768 489 H TYR 61 HN TYR 61 14.572 3.000 -4.940 490 HA TYR 61 HA TYR 61 17.053 2.923 -3.247 491 HB2 TYR 61 1HB TYR 61 14.629 4.718 -3.007 492 HB3 TYR 61 2HB TYR 61 16.048 4.705 -1.930 493 HD1 TYR 61 HD2 TYR 61 18.207 5.593 -2.712 494 HD2 TYR 61 HD1 TYR 61 14.740 5.768 -5.188 495 HE1 TYR 61 HE2 TYR 61 19.343 7.233 -4.169 496 HE2 TYR 61 HE1 TYR 61 15.864 7.412 -6.659 497 HH TYR 61 HH TYR 61 19.217 8.476 -6.079 498 H GLY 62 HN GLY 62 13.486 2.741 -3.041 499 HA2 GLY 62 1HA GLY 62 12.914 0.389 -2.023 500 HA3 GLY 62 2HA GLY 62 13.805 1.036 -0.625 501 H GLU 63 HN GLU 63 11.253 0.269 -0.215 502 HA GLU 63 HA GLU 63 9.260 2.289 -0.726 503 HB2 GLU 63 1HB GLU 63 9.465 0.086 1.329 504 HB3 GLU 63 2HB GLU 63 8.041 1.136 1.136 505 HG2 GLU 63 1HG GLU 63 7.692 0.236 -1.185 506 HG3 GLU 63 2HG GLU 63 9.232 -0.624 -0.964 507 H GLU 64 HN GLU 64 11.288 1.604 2.123 508 HA GLU 64 HA GLU 64 10.157 3.765 3.688 509 HB2 GLU 64 1HB GLU 64 12.731 2.199 3.896 510 HB3 GLU 64 2HB GLU 64 12.214 3.430 5.075 511 HG2 GLU 64 1HG GLU 64 10.182 2.023 5.618 512 HG3 GLU 64 2HG GLU 64 10.749 0.933 4.331 513 H TYR 65 HN TYR 65 12.726 3.553 1.328 514 HA TYR 65 HA TYR 65 13.789 6.212 2.072 515 HB2 TYR 65 1HB TYR 65 14.469 4.341 -0.206 516 HB3 TYR 65 2HB TYR 65 15.333 5.840 0.215 517 HD1 TYR 65 HD2 TYR 65 16.638 5.955 2.334 518 HD2 TYR 65 HD1 TYR 65 14.872 2.310 1.004 519 HE1 TYR 65 HE2 TYR 65 18.084 4.698 3.895 520 HE2 TYR 65 HE1 TYR 65 16.314 1.033 2.563 521 HH TYR 65 HH TYR 65 18.671 2.649 4.697 522 H ALA 66 HN ALA 66 11.601 4.794 -0.249 523 HA ALA 66 HA ALA 66 11.457 7.049 -2.018 524 HB1 ALA 66 3HB ALA 66 9.343 4.985 -1.309 525 HB2 ALA 66 1HB ALA 66 9.286 6.100 -2.694 526 HB3 ALA 66 2HB ALA 66 10.548 4.848 -2.612 527 H VAL 67 HN VAL 67 9.786 6.247 1.004 528 HA VAL 67 HA VAL 67 8.040 8.570 1.010 529 HB VAL 67 HB VAL 67 9.144 6.849 3.269 530 HG11 VAL 67 1HG1 VAL 67 7.388 7.900 4.657 531 HG12 VAL 67 2HG1 VAL 67 8.553 9.112 4.073 532 HG13 VAL 67 3HG1 VAL 67 6.955 8.969 3.301 533 HG21 VAL 67 3HG2 VAL 67 7.701 5.636 1.746 534 HG22 VAL 67 1HG2 VAL 67 6.897 5.892 3.313 535 HG23 VAL 67 2HG2 VAL 67 6.445 6.888 1.908 536 H GLN 68 HN GLN 68 11.282 7.998 2.342 537 HA GLN 68 HA GLN 68 11.459 10.585 3.596 538 HB2 GLN 68 1HB GLN 68 13.543 8.625 2.620 539 HB3 GLN 68 2HB GLN 68 13.931 10.128 3.492 540 HG2 GLN 68 1HG GLN 68 12.559 9.101 5.572 541 HG3 GLN 68 2HG GLN 68 12.292 7.886 4.298 542 HE21 GLN 68 2HE2 GLN 68 13.336 7.319 6.870 543 HE22 GLN 68 1HE2 GLN 68 14.969 6.773 6.682 544 H LEU 69 HN LEU 69 12.457 9.386 0.406 545 HA LEU 69 HA LEU 69 13.709 11.866 -0.392 546 HB2 LEU 69 1HB LEU 69 12.564 9.535 -1.761 547 HB3 LEU 69 2HB LEU 69 13.305 10.800 -2.766 548 HG LEU 69 HG LEU 69 14.733 9.190 -0.616 549 HD11 LEU 69 1HD1 LEU 69 15.923 8.105 -2.539 550 HD12 LEU 69 2HD1 LEU 69 14.170 7.806 -2.611 551 HD13 LEU 69 3HD1 LEU 69 14.907 9.032 -3.669 552 HD21 LEU 69 3HD2 LEU 69 15.644 11.421 -0.879 553 HD22 LEU 69 1HD2 LEU 69 16.783 10.220 -1.533 554 HD23 LEU 69 2HD2 LEU 69 15.780 11.190 -2.638 555 H THR 70 HN THR 70 10.483 10.484 -1.026 556 HA THR 70 HA THR 70 9.520 12.699 -2.565 557 HB THR 70 HB THR 70 8.010 10.729 -0.797 558 HG1 THR 70 HG1 THR 70 8.458 10.813 -3.623 559 HG21 THR 70 3HG2 THR 70 7.004 12.625 -2.958 560 HG22 THR 70 1HG2 THR 70 6.028 11.403 -2.109 561 HG23 THR 70 2HG2 THR 70 6.702 12.785 -1.211 562 H LEU 71 HN LEU 71 9.291 12.016 0.926 563 HA LEU 71 HA LEU 71 7.822 14.346 1.631 564 HB2 LEU 71 1HB LEU 71 8.365 12.377 2.925 565 HB3 LEU 71 2HB LEU 71 9.985 12.991 3.328 566 HG LEU 71 HG LEU 71 7.467 14.571 3.907 567 HD11 LEU 71 1HD1 LEU 71 7.598 13.696 6.255 568 HD12 LEU 71 2HD1 LEU 71 7.296 12.384 5.093 569 HD13 LEU 71 3HD1 LEU 71 8.928 12.621 5.764 570 HD21 LEU 71 3HD2 LEU 71 9.551 15.810 3.900 571 HD22 LEU 71 1HD2 LEU 71 8.920 15.695 5.560 572 HD23 LEU 71 2HD2 LEU 71 10.274 14.659 5.048 573 H GLN 72 HN GLN 72 11.338 13.867 1.353 574 HA GLN 72 HA GLN 72 12.071 16.489 2.220 575 HB2 GLN 72 1HB GLN 72 13.605 14.558 1.967 576 HB3 GLN 72 2HB GLN 72 13.443 14.702 0.201 577 HG2 GLN 72 1HG GLN 72 15.599 16.017 0.761 578 HG3 GLN 72 2HG GLN 72 14.112 16.925 0.401 579 HE21 GLN 72 2HE2 GLN 72 14.875 18.775 1.467 580 HE22 GLN 72 1HE2 GLN 72 14.972 18.864 3.195 581 H VAL 73 HN VAL 73 11.250 15.234 -0.995 582 HA VAL 73 HA VAL 73 11.804 17.766 -2.357 583 HB VAL 73 HB VAL 73 10.156 15.336 -3.176 584 HG11 VAL 73 1HG1 VAL 73 10.285 16.290 -5.454 585 HG12 VAL 73 2HG1 VAL 73 9.426 17.386 -4.348 586 HG13 VAL 73 3HG1 VAL 73 11.113 17.726 -4.806 587 HG21 VAL 73 3HG2 VAL 73 12.504 14.821 -2.882 588 HG22 VAL 73 1HG2 VAL 73 12.064 14.806 -4.605 589 HG23 VAL 73 2HG2 VAL 73 12.956 16.189 -3.927 590 H LEU 74 HN LEU 74 8.925 16.282 -0.943 591 HA LEU 74 HA LEU 74 7.051 18.227 -1.857 592 HB2 LEU 74 1HB LEU 74 7.329 16.551 0.536 593 HB3 LEU 74 2HB LEU 74 5.854 17.536 0.394 594 HG LEU 74 HG LEU 74 6.752 15.374 -1.550 595 HD11 LEU 74 1HD1 LEU 74 4.763 14.113 -0.685 596 HD12 LEU 74 2HD1 LEU 74 5.931 14.449 0.614 597 HD13 LEU 74 3HD1 LEU 74 4.452 15.429 0.471 598 HD21 LEU 74 3HD2 LEU 74 5.552 17.163 -2.662 599 HD22 LEU 74 1HD2 LEU 74 4.538 15.702 -2.596 600 HD23 LEU 74 2HD2 LEU 74 4.229 17.051 -1.477 601 H ARG 75 HN ARG 75 9.223 18.237 0.948 602 HA ARG 75 HA ARG 75 8.376 20.875 1.839 603 HB2 ARG 75 1HB ARG 75 10.785 19.226 2.432 604 HB3 ARG 75 2HB ARG 75 10.516 20.865 3.072 605 HG2 ARG 75 1HG ARG 75 8.458 20.110 4.167 606 HG3 ARG 75 2HG ARG 75 8.699 18.473 3.509 607 HD2 ARG 75 1HD ARG 75 10.692 18.213 4.810 608 HD3 ARG 75 2HD ARG 75 10.543 19.879 5.415 609 HE ARG 75 HE ARG 75 8.189 18.471 6.291 610 HH11 ARG 75 1HH1 ARG 75 11.633 18.238 6.788 611 HH12 ARG 75 2HH1 ARG 75 11.363 17.595 8.395 612 HH21 ARG 75 1HH2 ARG 75 7.864 17.728 8.126 613 HH22 ARG 75 2HH2 ARG 75 9.214 17.302 9.160 614 H ALA 76 HN ALA 76 10.769 19.652 -0.433 615 HA ALA 76 HA ALA 76 12.234 22.107 -0.688 616 HB1 ALA 76 3HB ALA 76 11.879 19.831 -2.668 617 HB2 ALA 76 1HB ALA 76 13.108 21.114 -2.767 618 HB3 ALA 76 2HB ALA 76 13.143 19.949 -1.422 619 H ILE 77 HN ILE 77 9.259 20.936 -2.116 620 HA ILE 77 HA ILE 77 9.212 23.197 -4.062 621 HB ILE 77 HB ILE 77 7.172 22.132 -4.923 622 HG12 ILE 77 1HG1 ILE 77 7.525 20.077 -2.757 623 HG13 ILE 77 2HG1 ILE 77 6.360 21.421 -2.711 624 HG21 ILE 77 1HG2 ILE 77 8.115 19.972 -5.671 625 HG22 ILE 77 2HG2 ILE 77 9.338 21.262 -5.738 626 HG23 ILE 77 3HG2 ILE 77 9.365 20.081 -4.409 627 HD11 ILE 77 3HD1 ILE 77 6.424 19.192 -4.776 628 HD12 ILE 77 1HD1 ILE 77 5.275 19.327 -3.425 629 HD13 ILE 77 2HD1 ILE 77 5.259 20.536 -4.730 630 H ASN 78 HN ASN 78 8.625 22.942 -0.899 631 HA ASN 78 HA ASN 78 7.488 24.377 0.543 632 HB2 ASN 78 1HB ASN 78 6.530 25.996 -1.935 633 HB3 ASN 78 2HB ASN 78 6.358 26.102 -0.166 634 HD21 ASN 78 2HD2 ASN 78 7.696 27.772 -2.316 635 HD22 ASN 78 1HD2 ASN 78 9.287 28.060 -1.694 636 H GLN 79 HN GLN 79 6.421 21.916 -0.048 637 HA GLN 79 HA GLN 79 3.561 22.611 0.497 638 HB2 GLN 79 1HB GLN 79 4.627 20.229 -1.036 639 HB3 GLN 79 2HB GLN 79 2.944 20.432 -0.495 640 HG2 GLN 79 1HG GLN 79 4.267 22.253 -2.696 641 HG3 GLN 79 2HG GLN 79 3.218 20.815 -2.683 642 HE21 GLN 79 2HE2 GLN 79 3.140 24.002 -3.180 643 HE22 GLN 79 1HE2 GLN 79 1.566 24.396 -2.573 644 H ARG 80 HN ARG 80 4.539 22.711 2.679 645 HA ARG 80 HA ARG 80 5.641 20.339 3.892 646 HB2 ARG 80 1HB ARG 80 4.473 22.814 5.073 647 HB3 ARG 80 2HB ARG 80 5.146 21.468 6.022 648 HG2 ARG 80 1HG ARG 80 7.328 21.789 4.991 649 HG3 ARG 80 2HG ARG 80 6.671 23.078 3.953 650 HD2 ARG 80 1HD ARG 80 6.236 24.427 5.914 651 HD3 ARG 80 2HD ARG 80 6.902 23.140 6.945 652 HE ARG 80 HE ARG 80 9.009 23.957 5.155 653 HH11 ARG 80 1HH1 ARG 80 7.108 25.387 7.703 654 HH12 ARG 80 2HH1 ARG 80 8.445 26.439 8.121 655 HH21 ARG 80 1HH2 ARG 80 10.548 25.161 5.615 656 HH22 ARG 80 2HH2 ARG 80 10.408 26.311 6.929 657 H LEU 81 HN LEU 81 2.366 21.512 3.458 658 HA LEU 81 HA LEU 81 1.019 19.845 5.312 659 HB2 LEU 81 1HB LEU 81 -0.008 21.538 4.179 660 HB3 LEU 81 2HB LEU 81 0.179 20.860 2.545 661 HG LEU 81 HG LEU 81 -1.256 18.920 3.285 662 HD11 LEU 81 1HD1 LEU 81 -2.688 19.284 5.312 663 HD12 LEU 81 2HD1 LEU 81 -0.963 19.226 5.742 664 HD13 LEU 81 3HD1 LEU 81 -1.806 20.791 5.646 665 HD21 LEU 81 3HD2 LEU 81 -2.157 20.707 1.917 666 HD22 LEU 81 1HD2 LEU 81 -3.385 20.153 3.079 667 HD23 LEU 81 2HD2 LEU 81 -2.511 21.677 3.367 668 H LEU 82 HN LEU 82 1.832 19.142 1.904 669 HA LEU 82 HA LEU 82 0.823 16.446 2.013 670 HB2 LEU 82 1HB LEU 82 2.786 17.870 0.348 671 HB3 LEU 82 2HB LEU 82 2.337 16.208 -0.101 672 HG LEU 82 HG LEU 82 0.488 18.624 0.003 673 HD11 LEU 82 1HD1 LEU 82 0.333 18.275 -2.477 674 HD12 LEU 82 2HD1 LEU 82 2.008 18.601 -1.973 675 HD13 LEU 82 3HD1 LEU 82 1.498 16.937 -2.346 676 HD21 LEU 82 3HD2 LEU 82 -0.668 16.607 0.693 677 HD22 LEU 82 1HD2 LEU 82 -1.228 17.106 -0.920 678 HD23 LEU 82 2HD2 LEU 82 -0.091 15.745 -0.753 679 H ALA 83 HN ALA 83 3.966 17.871 2.722 680 HA ALA 83 HA ALA 83 5.400 15.399 2.922 681 HB1 ALA 83 3HB ALA 83 5.865 18.041 4.348 682 HB2 ALA 83 1HB ALA 83 7.030 16.702 4.233 683 HB3 ALA 83 2HB ALA 83 6.529 17.572 2.765 684 H GLU 84 HN GLU 84 3.460 17.238 5.245 685 HA GLU 84 HA GLU 84 4.114 15.445 7.466 686 HB2 GLU 84 1HB GLU 84 1.992 17.559 7.080 687 HB3 GLU 84 2HB GLU 84 2.248 16.648 8.588 688 HG2 GLU 84 1HG GLU 84 4.206 18.653 7.320 689 HG3 GLU 84 2HG GLU 84 3.224 18.759 8.799 690 H GLU 85 HN GLU 85 1.549 15.710 5.066 691 HA GLU 85 HA GLU 85 -0.120 13.652 6.260 692 HB2 GLU 85 1HB GLU 85 0.092 14.829 3.491 693 HB3 GLU 85 2HB GLU 85 -1.067 13.547 3.922 694 HG2 GLU 85 1HG GLU 85 -1.020 16.396 5.088 695 HG3 GLU 85 2HG GLU 85 -2.133 15.646 3.922 696 H LEU 86 HN LEU 86 2.554 13.655 3.956 697 HA LEU 86 HA LEU 86 2.387 10.815 3.391 698 HB2 LEU 86 1HB LEU 86 3.439 12.303 1.989 699 HB3 LEU 86 2HB LEU 86 4.691 12.824 3.141 700 HG LEU 86 HG LEU 86 5.553 10.476 3.180 701 HD11 LEU 86 1HD1 LEU 86 4.822 8.937 1.338 702 HD12 LEU 86 2HD1 LEU 86 3.466 9.346 2.414 703 HD13 LEU 86 3HD1 LEU 86 3.617 10.142 0.830 704 HD21 LEU 86 3HD2 LEU 86 6.622 12.158 1.800 705 HD22 LEU 86 1HD2 LEU 86 6.663 10.581 0.975 706 HD23 LEU 86 2HD2 LEU 86 5.493 11.823 0.465 707 H HIS 87 HN HIS 87 4.235 12.749 5.742 708 HA HIS 87 HA HIS 87 5.483 10.589 7.104 709 HB2 HIS 87 1HB HIS 87 6.021 12.926 7.640 710 HB3 HIS 87 2HB HIS 87 4.361 13.198 8.221 711 HD1 HIS 87 HD1 HIS 87 7.456 11.159 9.073 712 HD2 HIS 87 HD2 HIS 87 4.036 12.713 10.984 713 HE1 HIS 87 HE1 HIS 87 7.716 10.638 11.446 714 H ARG 88 HN ARG 88 2.232 11.978 7.539 715 HA ARG 88 HA ARG 88 1.457 10.148 9.629 716 HB2 ARG 88 1HB ARG 88 -0.128 11.800 7.725 717 HB3 ARG 88 2HB ARG 88 -0.851 10.722 8.942 718 HG2 ARG 88 1HG ARG 88 0.083 11.987 10.740 719 HG3 ARG 88 2HG ARG 88 1.100 12.934 9.627 720 HD2 ARG 88 1HD ARG 88 -0.811 14.034 8.740 721 HD3 ARG 88 2HD ARG 88 -1.899 13.002 9.699 722 HE ARG 88 HE ARG 88 -0.404 14.419 11.642 723 HH11 ARG 88 1HH1 ARG 88 -2.311 15.405 8.894 724 HH12 ARG 88 2HH1 ARG 88 -2.737 16.893 9.716 725 HH21 ARG 88 1HH2 ARG 88 -0.878 16.122 12.593 726 HH22 ARG 88 2HH2 ARG 88 -1.920 17.303 11.826 727 H ALA 89 HN ALA 89 1.308 9.984 6.100 728 HA ALA 89 HA ALA 89 -0.154 7.518 5.984 729 HB1 ALA 89 3HB ALA 89 1.877 8.677 4.045 730 HB2 ALA 89 1HB ALA 89 0.750 7.346 3.698 731 HB3 ALA 89 2HB ALA 89 0.123 8.978 4.031 732 H ALA 90 HN ALA 90 3.303 8.259 6.255 733 HA ALA 90 HA ALA 90 4.199 5.543 6.043 734 HB1 ALA 90 3HB ALA 90 5.458 7.908 7.475 735 HB2 ALA 90 1HB ALA 90 6.275 6.378 7.076 736 HB3 ALA 90 2HB ALA 90 5.715 7.454 5.773 737 H ILE 91 HN ILE 91 3.064 7.499 8.757 738 HA ILE 91 HA ILE 91 3.589 5.529 10.813 739 HB ILE 91 HB ILE 91 1.512 7.752 10.588 740 HG12 ILE 91 1HG1 ILE 91 3.978 7.580 12.295 741 HG13 ILE 91 2HG1 ILE 91 3.920 8.351 10.693 742 HG21 ILE 91 1HG2 ILE 91 1.135 7.405 13.006 743 HG22 ILE 91 2HG2 ILE 91 0.698 5.953 12.076 744 HG23 ILE 91 3HG2 ILE 91 2.231 6.003 12.976 745 HD11 ILE 91 3HD1 ILE 91 2.280 9.164 13.118 746 HD12 ILE 91 1HD1 ILE 91 3.708 10.020 12.492 747 HD13 ILE 91 2HD1 ILE 91 2.222 9.936 11.516 748 H GLN 92 HN GLN 92 0.810 6.065 8.681 749 HA GLN 92 HA GLN 92 -0.762 3.926 9.800 750 HB2 GLN 92 1HB GLN 92 -0.711 5.225 7.071 751 HB3 GLN 92 2HB GLN 92 -1.897 3.993 7.560 752 HG2 GLN 92 1HG GLN 92 -2.739 5.745 9.420 753 HG3 GLN 92 2HG GLN 92 -1.322 6.572 8.732 754 HE21 GLN 92 2HE2 GLN 92 -3.890 7.725 8.911 755 HE22 GLN 92 1HE2 GLN 92 -4.495 7.967 7.305 756 H LEU 93 HN LEU 93 1.675 4.044 7.238 757 HA LEU 93 HA LEU 93 1.355 1.320 6.379 758 HB2 LEU 93 1HB LEU 93 3.571 3.248 6.444 759 HB3 LEU 93 2HB LEU 93 3.849 1.683 5.647 760 HG LEU 93 HG LEU 93 1.765 3.747 4.835 761 HD11 LEU 93 1HD1 LEU 93 3.215 4.064 2.813 762 HD12 LEU 93 2HD1 LEU 93 4.091 4.473 4.306 763 HD13 LEU 93 3HD1 LEU 93 4.392 2.918 3.495 764 HD21 LEU 93 3HD2 LEU 93 1.047 1.477 4.376 765 HD22 LEU 93 1HD2 LEU 93 1.440 2.310 2.853 766 HD23 LEU 93 2HD2 LEU 93 2.581 1.130 3.543 Start of MODEL 6 1 H THR 4 1H THR 4 0.242 -0.596 -0.472 2 HA THR 4 HA THR 4 2.926 -0.347 0.479 3 HB THR 4 HB THR 4 3.632 -0.688 -1.811 4 HG1 THR 4 HG1 THR 4 0.932 -0.033 -2.490 5 HG21 THR 4 3HG2 THR 4 1.033 -2.188 -1.296 6 HG22 THR 4 1HG2 THR 4 2.313 -2.682 -2.429 7 HG23 THR 4 2HG2 THR 4 2.637 -2.646 -0.679 8 HA PRO 5 HA PRO 5 3.942 3.878 0.066 9 HB2 PRO 5 1HB PRO 5 6.558 3.704 -0.861 10 HB3 PRO 5 2HB PRO 5 6.142 3.329 0.817 11 HG2 PRO 5 1HG PRO 5 6.539 1.430 -1.519 12 HG3 PRO 5 2HG PRO 5 7.155 1.301 0.133 13 HD2 PRO 5 1HD PRO 5 4.957 -0.105 -0.620 14 HD3 PRO 5 2HD PRO 5 5.050 0.587 1.004 15 H SER 6 HN SER 6 4.053 1.736 -2.645 16 HA SER 6 HA SER 6 4.516 3.763 -4.718 17 HB2 SER 6 1HB SER 6 4.058 2.167 -6.238 18 HB3 SER 6 2HB SER 6 5.013 1.414 -4.940 19 HG SER 6 HG SER 6 2.855 0.757 -4.107 20 H ASP 7 HN ASP 7 1.803 2.733 -2.769 21 HA ASP 7 HA ASP 7 -0.127 4.101 -4.581 22 HB2 ASP 7 1HB ASP 7 -0.649 2.562 -1.965 23 HB3 ASP 7 2HB ASP 7 -1.759 3.398 -3.080 24 H HIS 8 HN HIS 8 1.434 4.441 -1.441 25 HA HIS 8 HA HIS 8 -0.125 6.753 -0.637 26 HB2 HIS 8 1HB HIS 8 2.569 5.653 0.272 27 HB3 HIS 8 2HB HIS 8 1.793 7.082 0.998 28 HD1 HIS 8 HD1 HIS 8 2.328 4.747 2.784 29 HD2 HIS 8 HD2 HIS 8 -1.276 5.067 0.710 30 HE1 HIS 8 HE1 HIS 8 0.777 3.391 4.030 31 H LEU 9 HN LEU 9 2.994 6.327 -2.281 32 HA LEU 9 HA LEU 9 3.493 9.171 -2.541 33 HB2 LEU 9 1HB LEU 9 4.359 6.755 -3.981 34 HB3 LEU 9 2HB LEU 9 5.096 8.317 -4.409 35 HG LEU 9 HG LEU 9 5.259 6.929 -1.704 36 HD11 LEU 9 1HD1 LEU 9 7.694 6.696 -2.259 37 HD12 LEU 9 2HD1 LEU 9 6.676 5.857 -3.453 38 HD13 LEU 9 3HD1 LEU 9 7.388 7.440 -3.846 39 HD21 LEU 9 3HD2 LEU 9 5.203 9.342 -1.470 40 HD22 LEU 9 1HD2 LEU 9 6.835 8.734 -1.105 41 HD23 LEU 9 2HD2 LEU 9 6.506 9.518 -2.670 42 H LEU 10 HN LEU 10 1.815 6.773 -4.519 43 HA LEU 10 HA LEU 10 1.336 8.402 -6.802 44 HB2 LEU 10 1HB LEU 10 0.944 6.065 -6.515 45 HB3 LEU 10 2HB LEU 10 -0.547 6.313 -5.577 46 HG LEU 10 HG LEU 10 -0.035 7.170 -8.452 47 HD11 LEU 10 1HD1 LEU 10 -1.865 5.533 -8.973 48 HD12 LEU 10 2HD1 LEU 10 -0.491 4.733 -8.174 49 HD13 LEU 10 3HD1 LEU 10 -1.961 5.115 -7.246 50 HD21 LEU 10 3HD2 LEU 10 -1.385 8.816 -7.292 51 HD22 LEU 10 1HD2 LEU 10 -2.390 7.917 -8.454 52 HD23 LEU 10 2HD2 LEU 10 -2.490 7.547 -6.714 53 H SER 11 HN SER 11 -0.701 7.982 -3.894 54 HA SER 11 HA SER 11 -2.783 9.818 -4.659 55 HB2 SER 11 1HB SER 11 -1.897 8.892 -1.995 56 HB3 SER 11 2HB SER 11 -3.342 9.866 -2.349 57 HG SER 11 HG SER 11 -3.781 7.620 -2.274 58 H THR 12 HN THR 12 0.260 10.232 -2.822 59 HA THR 12 HA THR 12 -0.190 12.974 -2.085 60 HB THR 12 HB THR 12 2.427 11.467 -2.497 61 HG1 THR 12 HG1 THR 12 1.037 10.604 -0.856 62 HG21 THR 12 3HG2 THR 12 1.825 14.058 -1.015 63 HG22 THR 12 1HG2 THR 12 3.395 13.221 -1.052 64 HG23 THR 12 2HG2 THR 12 2.723 13.919 -2.544 65 H LEU 13 HN LEU 13 1.487 11.509 -4.861 66 HA LEU 13 HA LEU 13 2.167 14.115 -5.989 67 HB2 LEU 13 1HB LEU 13 2.086 11.354 -7.012 68 HB3 LEU 13 2HB LEU 13 2.762 12.643 -8.035 69 HG LEU 13 HG LEU 13 3.854 11.717 -5.349 70 HD11 LEU 13 1HD1 LEU 13 5.799 10.904 -6.709 71 HD12 LEU 13 2HD1 LEU 13 4.287 10.104 -7.199 72 HD13 LEU 13 3HD1 LEU 13 4.960 11.421 -8.191 73 HD21 LEU 13 3HD2 LEU 13 4.190 14.095 -5.682 74 HD22 LEU 13 1HD2 LEU 13 5.742 13.238 -5.828 75 HD23 LEU 13 2HD2 LEU 13 4.895 13.801 -7.290 76 H GLU 14 HN GLU 14 -0.551 11.955 -6.163 77 HA GLU 14 HA GLU 14 -1.757 13.137 -8.518 78 HB2 GLU 14 1HB GLU 14 -2.386 10.944 -7.615 79 HB3 GLU 14 2HB GLU 14 -3.012 11.739 -6.150 80 HG2 GLU 14 1HG GLU 14 -4.745 12.924 -7.603 81 HG3 GLU 14 2HG GLU 14 -3.983 12.063 -8.959 82 H GLU 15 HN GLU 15 -2.028 13.791 -5.034 83 HA GLU 15 HA GLU 15 -3.919 15.991 -5.493 84 HB2 GLU 15 1HB GLU 15 -2.371 15.071 -3.066 85 HB3 GLU 15 2HB GLU 15 -3.532 16.421 -3.074 86 HG2 GLU 15 1HG GLU 15 -5.357 14.752 -3.749 87 HG3 GLU 15 2HG GLU 15 -4.059 13.539 -3.671 88 H LEU 16 HN LEU 16 -0.493 15.593 -5.438 89 HA LEU 16 HA LEU 16 0.262 18.294 -4.845 90 HB2 LEU 16 1HB LEU 16 1.746 16.554 -4.837 91 HB3 LEU 16 2HB LEU 16 1.603 16.137 -6.560 92 HG LEU 16 HG LEU 16 2.514 18.401 -7.122 93 HD11 LEU 16 1HD1 LEU 16 3.688 19.663 -5.299 94 HD12 LEU 16 2HD1 LEU 16 1.944 19.526 -4.971 95 HD13 LEU 16 3HD1 LEU 16 3.096 18.474 -4.115 96 HD21 LEU 16 3HD2 LEU 16 3.951 16.448 -7.149 97 HD22 LEU 16 1HD2 LEU 16 4.860 17.862 -6.566 98 HD23 LEU 16 2HD2 LEU 16 4.287 16.634 -5.411 99 H VAL 17 HN VAL 17 0.104 20.122 -5.869 100 HA VAL 17 HA VAL 17 -1.445 20.446 -8.254 101 HB VAL 17 HB VAL 17 0.681 22.273 -7.059 102 HG11 VAL 17 1HG1 VAL 17 -0.451 24.050 -8.352 103 HG12 VAL 17 2HG1 VAL 17 0.206 22.793 -9.428 104 HG13 VAL 17 3HG1 VAL 17 -1.537 22.835 -9.069 105 HG21 VAL 17 3HG2 VAL 17 -1.103 21.796 -5.490 106 HG22 VAL 17 1HG2 VAL 17 -1.207 23.473 -6.076 107 HG23 VAL 17 2HG2 VAL 17 -2.320 22.238 -6.711 108 HA PRO 18 HA PRO 18 1.055 18.848 -11.394 109 HB2 PRO 18 1HB PRO 18 -0.421 20.992 -13.003 110 HB3 PRO 18 2HB PRO 18 -0.184 19.284 -13.401 111 HG2 PRO 18 1HG PRO 18 -2.552 20.086 -12.483 112 HG3 PRO 18 2HG PRO 18 -1.874 18.558 -11.905 113 HD2 PRO 18 1HD PRO 18 -2.030 21.231 -10.476 114 HD3 PRO 18 2HD PRO 18 -2.164 19.601 -9.805 115 H TYR 19 HN TYR 19 0.695 22.368 -11.068 116 HA TYR 19 HA TYR 19 3.118 22.999 -12.495 117 HB2 TYR 19 1HB TYR 19 1.540 24.456 -10.372 118 HB3 TYR 19 2HB TYR 19 2.976 25.135 -11.177 119 HD1 TYR 19 HD2 TYR 19 2.904 25.419 -13.710 120 HD2 TYR 19 HD1 TYR 19 -0.585 24.604 -11.397 121 HE1 TYR 19 HE2 TYR 19 1.494 26.223 -15.574 122 HE2 TYR 19 HE1 TYR 19 -2.013 25.406 -13.255 123 HH TYR 19 HH TYR 19 -0.626 26.599 -16.317 124 H ASP 20 HN ASP 20 2.453 22.123 -9.149 125 HA ASP 20 HA ASP 20 5.268 22.623 -8.380 126 HB2 ASP 20 1HB ASP 20 2.868 21.542 -6.786 127 HB3 ASP 20 2HB ASP 20 4.580 21.642 -6.306 128 H PHE 21 HN PHE 21 3.339 20.048 -9.607 129 HA PHE 21 HA PHE 21 5.097 17.886 -8.791 130 HB2 PHE 21 1HB PHE 21 2.793 17.455 -9.579 131 HB3 PHE 21 2HB PHE 21 3.211 18.112 -11.178 132 HD1 PHE 21 HD1 PHE 21 3.943 15.383 -8.782 133 HD2 PHE 21 HD2 PHE 21 4.194 16.785 -12.811 134 HE1 PHE 21 HE1 PHE 21 4.643 13.130 -9.521 135 HE2 PHE 21 HE2 PHE 21 4.891 14.532 -13.553 136 HZ PHE 21 HZ PHE 21 5.117 12.706 -11.908 137 H GLU 22 HN GLU 22 4.931 19.970 -11.678 138 HA GLU 22 HA GLU 22 7.276 18.954 -12.960 139 HB2 GLU 22 1HB GLU 22 6.057 21.713 -12.848 140 HB3 GLU 22 2HB GLU 22 7.456 21.290 -13.864 141 HG2 GLU 22 1HG GLU 22 6.015 19.639 -15.124 142 HG3 GLU 22 2HG GLU 22 4.734 20.056 -13.962 143 H LYS 23 HN LYS 23 6.921 21.558 -10.542 144 HA LYS 23 HA LYS 23 9.719 22.045 -10.201 145 HB2 LYS 23 1HB LYS 23 7.395 22.252 -8.284 146 HB3 LYS 23 2HB LYS 23 9.044 22.817 -7.926 147 HG2 LYS 23 1HG LYS 23 8.915 24.414 -9.784 148 HG3 LYS 23 2HG LYS 23 7.282 23.833 -10.182 149 HD2 LYS 23 1HD LYS 23 6.526 24.526 -7.911 150 HD3 LYS 23 2HD LYS 23 8.146 25.199 -7.611 151 HE2 LYS 23 1HE LYS 23 7.878 26.748 -9.477 152 HE3 LYS 23 2HE LYS 23 6.288 26.044 -9.856 153 HZ1 LYS 23 3HZ LYS 23 6.989 27.454 -7.360 154 HZ2 LYS 23 1HZ LYS 23 6.084 28.075 -8.591 155 HZ3 LYS 23 2HZ LYS 23 5.514 26.801 -7.711 156 H PHE 24 HN PHE 24 7.580 19.593 -8.826 157 HA PHE 24 HA PHE 24 9.369 18.600 -6.834 158 HB2 PHE 24 1HB PHE 24 6.941 17.978 -7.037 159 HB3 PHE 24 2HB PHE 24 7.350 17.005 -8.468 160 HD1 PHE 24 HD1 PHE 24 7.754 17.327 -4.823 161 HD2 PHE 24 HD2 PHE 24 8.358 14.883 -8.275 162 HE1 PHE 24 HE1 PHE 24 8.243 15.391 -3.365 163 HE2 PHE 24 HE2 PHE 24 8.846 12.945 -6.820 164 HZ PHE 24 HZ PHE 24 8.789 13.200 -4.364 165 H LYS 25 HN LYS 25 8.911 17.550 -10.219 166 HA LYS 25 HA LYS 25 11.079 15.602 -10.014 167 HB2 LYS 25 1HB LYS 25 10.668 15.143 -12.279 168 HB3 LYS 25 2HB LYS 25 9.086 15.407 -11.511 169 HG2 LYS 25 1HG LYS 25 9.026 17.694 -12.440 170 HG3 LYS 25 2HG LYS 25 10.596 17.407 -13.226 171 HD2 LYS 25 1HD LYS 25 9.512 15.438 -14.406 172 HD3 LYS 25 2HD LYS 25 7.953 16.028 -13.782 173 HE2 LYS 25 1HE LYS 25 8.270 18.158 -14.926 174 HE3 LYS 25 2HE LYS 25 9.871 17.636 -15.497 175 HZ1 LYS 25 3HZ LYS 25 7.300 16.382 -16.220 176 HZ2 LYS 25 1HZ LYS 25 8.192 17.371 -17.193 177 HZ3 LYS 25 2HZ LYS 25 8.785 15.897 -16.750 178 H PHE 26 HN PHE 26 10.850 18.975 -10.763 179 HA PHE 26 HA PHE 26 13.484 19.157 -12.009 180 HB2 PHE 26 1HB PHE 26 11.669 21.218 -10.689 181 HB3 PHE 26 2HB PHE 26 13.222 21.609 -11.462 182 HD1 PHE 26 HD1 PHE 26 12.410 19.176 -13.527 183 HD2 PHE 26 HD2 PHE 26 10.825 22.952 -12.307 184 HE1 PHE 26 HE1 PHE 26 11.270 19.401 -15.710 185 HE2 PHE 26 HE2 PHE 26 9.682 23.179 -14.487 186 HZ PHE 26 HZ PHE 26 9.906 21.403 -16.190 187 H LYS 27 HN LYS 27 12.298 18.909 -8.760 188 HA LYS 27 HA LYS 27 14.906 19.787 -7.638 189 HB2 LYS 27 1HB LYS 27 12.281 18.925 -6.428 190 HB3 LYS 27 2HB LYS 27 13.755 19.201 -5.468 191 HG2 LYS 27 1HG LYS 27 12.333 21.262 -7.190 192 HG3 LYS 27 2HG LYS 27 12.254 21.157 -5.416 193 HD2 LYS 27 1HD LYS 27 14.683 21.527 -5.282 194 HD3 LYS 27 2HD LYS 27 14.766 21.626 -7.057 195 HE2 LYS 27 1HE LYS 27 13.218 23.565 -6.988 196 HE3 LYS 27 2HE LYS 27 13.242 23.491 -5.211 197 HZ1 LYS 27 3HZ LYS 27 15.583 23.978 -6.939 198 HZ2 LYS 27 1HZ LYS 27 14.789 25.122 -6.055 199 HZ3 LYS 27 2HZ LYS 27 15.607 23.909 -5.291 200 H LEU 28 HN LEU 28 13.054 16.872 -8.255 201 HA LEU 28 HA LEU 28 14.455 15.023 -6.658 202 HB2 LEU 28 1HB LEU 28 13.236 14.993 -9.315 203 HB3 LEU 28 2HB LEU 28 13.977 13.465 -8.785 204 HG LEU 28 HG LEU 28 11.685 14.948 -7.441 205 HD11 LEU 28 1HD1 LEU 28 10.376 12.891 -8.033 206 HD12 LEU 28 2HD1 LEU 28 11.033 13.680 -9.487 207 HD13 LEU 28 3HD1 LEU 28 11.818 12.223 -8.833 208 HD21 LEU 28 3HD2 LEU 28 13.142 13.948 -5.782 209 HD22 LEU 28 1HD2 LEU 28 11.612 13.043 -5.870 210 HD23 LEU 28 2HD2 LEU 28 13.082 12.384 -6.630 211 H GLN 29 HN GLN 29 15.329 16.238 -9.892 212 HA GLN 29 HA GLN 29 17.693 14.559 -10.054 213 HB2 GLN 29 1HB GLN 29 18.246 15.895 -12.001 214 HB3 GLN 29 2HB GLN 29 16.550 15.360 -12.041 215 HG2 GLN 29 1HG GLN 29 16.030 17.932 -11.142 216 HG3 GLN 29 2HG GLN 29 17.775 17.902 -11.485 217 HE21 GLN 29 2HE2 GLN 29 15.876 19.651 -12.695 218 HE22 GLN 29 1HE2 GLN 29 15.825 19.287 -14.388 219 H ASN 30 HN ASN 30 16.990 17.554 -8.521 220 HA ASN 30 HA ASN 30 19.914 18.184 -8.330 221 HB2 ASN 30 1HB ASN 30 17.575 20.182 -7.853 222 HB3 ASN 30 2HB ASN 30 19.334 20.164 -7.577 223 HD21 ASN 30 2HD2 ASN 30 16.787 20.489 -9.861 224 HD22 ASN 30 1HD2 ASN 30 17.764 20.859 -11.242 225 H THR 31 HN THR 31 17.722 16.464 -6.700 226 HA THR 31 HA THR 31 18.762 17.348 -4.030 227 HB THR 31 HB THR 31 16.365 15.595 -4.721 228 HG1 THR 31 HG1 THR 31 16.548 18.237 -3.634 229 HG21 THR 31 3HG2 THR 31 17.394 16.609 -2.041 230 HG22 THR 31 1HG2 THR 31 15.887 15.700 -2.300 231 HG23 THR 31 2HG2 THR 31 17.460 14.924 -2.609 232 H SER 32 HN SER 32 20.095 16.162 -2.907 233 HA SER 32 HA SER 32 21.389 13.833 -4.136 234 HB2 SER 32 1HB SER 32 22.804 13.827 -2.357 235 HB3 SER 32 2HB SER 32 22.558 15.503 -2.897 236 HG SER 32 HG SER 32 22.502 15.288 -0.618 237 H VAL 33 HN VAL 33 21.589 11.764 -3.130 238 HA VAL 33 HA VAL 33 19.334 10.972 -1.304 239 HB VAL 33 HB VAL 33 19.053 8.896 -2.596 240 HG11 VAL 33 1HG1 VAL 33 17.924 9.849 -4.579 241 HG12 VAL 33 2HG1 VAL 33 17.592 10.820 -3.126 242 HG13 VAL 33 3HG1 VAL 33 18.777 11.390 -4.324 243 HG21 VAL 33 3HG2 VAL 33 21.284 8.717 -3.521 244 HG22 VAL 33 1HG2 VAL 33 20.058 8.633 -4.808 245 HG23 VAL 33 2HG2 VAL 33 20.988 10.130 -4.561 246 H GLN 34 HN GLN 34 19.637 8.723 -0.487 247 HA GLN 34 HA GLN 34 22.246 8.676 0.831 248 HB2 GLN 34 1HB GLN 34 19.951 6.705 0.865 249 HB3 GLN 34 2HB GLN 34 21.368 6.674 1.940 250 HG2 GLN 34 1HG GLN 34 19.094 8.838 2.093 251 HG3 GLN 34 2HG GLN 34 19.627 7.420 3.027 252 HE21 GLN 34 2HE2 GLN 34 19.856 10.767 2.650 253 HE22 GLN 34 1HE2 GLN 34 21.244 11.050 3.647 254 H LYS 35 HN LYS 35 23.595 6.776 0.977 255 HA LYS 35 HA LYS 35 24.171 5.835 -1.770 256 HB2 LYS 35 1HB LYS 35 25.644 5.525 0.851 257 HB3 LYS 35 2HB LYS 35 26.213 4.920 -0.722 258 HG2 LYS 35 1HG LYS 35 26.300 7.226 -1.580 259 HG3 LYS 35 2HG LYS 35 25.726 7.832 -0.009 260 HD2 LYS 35 1HD LYS 35 27.731 6.870 1.077 261 HD3 LYS 35 2HD LYS 35 28.312 6.320 -0.513 262 HE2 LYS 35 1HE LYS 35 28.362 8.652 -1.298 263 HE3 LYS 35 2HE LYS 35 27.791 9.198 0.295 264 HZ1 LYS 35 3HZ LYS 35 30.333 7.795 -0.225 265 HZ2 LYS 35 1HZ LYS 35 30.174 9.407 0.084 266 HZ3 LYS 35 2HZ LYS 35 29.803 8.302 1.253 267 H GLU 36 HN GLU 36 22.216 4.787 0.654 268 HA GLU 36 HA GLU 36 22.782 1.961 0.695 269 HB2 GLU 36 1HB GLU 36 21.376 3.101 2.344 270 HB3 GLU 36 2HB GLU 36 20.178 3.447 1.073 271 HG2 GLU 36 1HG GLU 36 19.356 1.479 2.326 272 HG3 GLU 36 2HG GLU 36 19.956 1.046 0.709 273 H HIS 37 HN HIS 37 20.927 4.017 -1.488 274 HA HIS 37 HA HIS 37 20.523 1.610 -3.229 275 HB2 HIS 37 1HB HIS 37 18.582 3.930 -2.823 276 HB3 HIS 37 2HB HIS 37 18.366 2.570 -3.949 277 HD1 HIS 37 HD1 HIS 37 18.042 0.174 -2.831 278 HD2 HIS 37 HD2 HIS 37 17.701 3.415 -0.159 279 HE1 HIS 37 HE1 HIS 37 16.848 -0.684 -0.879 280 H SER 38 HN SER 38 20.067 2.192 -5.514 281 HA SER 38 HA SER 38 22.188 3.933 -6.568 282 HB2 SER 38 1HB SER 38 21.532 3.274 -8.645 283 HB3 SER 38 2HB SER 38 21.566 1.860 -7.567 284 HG SER 38 HG SER 38 19.285 2.054 -7.415 285 H ARG 39 HN ARG 39 21.826 5.699 -8.007 286 HA ARG 39 HA ARG 39 19.571 7.431 -7.160 287 HB2 ARG 39 1HB ARG 39 21.784 8.345 -7.137 288 HB3 ARG 39 2HB ARG 39 21.930 8.043 -8.884 289 HG2 ARG 39 1HG ARG 39 20.126 9.610 -9.339 290 HG3 ARG 39 2HG ARG 39 19.872 9.862 -7.595 291 HD2 ARG 39 1HD ARG 39 22.159 10.770 -7.466 292 HD3 ARG 39 2HD ARG 39 22.253 10.654 -9.238 293 HE ARG 39 HE ARG 39 20.844 12.675 -9.326 294 HH11 ARG 39 1HH1 ARG 39 20.800 11.367 -6.094 295 HH12 ARG 39 2HH1 ARG 39 20.025 12.825 -5.508 296 HH21 ARG 39 1HH2 ARG 39 19.948 14.347 -8.672 297 HH22 ARG 39 2HH2 ARG 39 19.537 14.525 -6.977 298 H ILE 40 HN ILE 40 17.766 7.621 -8.199 299 HA ILE 40 HA ILE 40 17.177 6.307 -10.675 300 HB ILE 40 HB ILE 40 15.438 7.106 -9.030 301 HG12 ILE 40 1HG1 ILE 40 15.088 8.255 -11.784 302 HG13 ILE 40 2HG1 ILE 40 14.979 6.525 -11.388 303 HG21 ILE 40 1HG2 ILE 40 14.770 9.484 -9.115 304 HG22 ILE 40 2HG2 ILE 40 16.442 9.310 -8.533 305 HG23 ILE 40 3HG2 ILE 40 16.133 9.828 -10.206 306 HD11 ILE 40 3HD1 ILE 40 13.208 8.722 -10.262 307 HD12 ILE 40 1HD1 ILE 40 12.743 7.550 -11.517 308 HD13 ILE 40 2HD1 ILE 40 13.099 6.990 -9.866 309 HA PRO 41 HA PRO 41 19.245 8.702 -13.673 310 HB2 PRO 41 1HB PRO 41 16.968 7.635 -15.395 311 HB3 PRO 41 2HB PRO 41 18.709 7.573 -15.705 312 HG2 PRO 41 1HG PRO 41 17.445 5.362 -14.920 313 HG3 PRO 41 2HG PRO 41 19.040 5.730 -14.253 314 HD2 PRO 41 1HD PRO 41 16.310 6.074 -12.952 315 HD3 PRO 41 2HD PRO 41 17.827 5.529 -12.223 316 H ARG 42 HN ARG 42 19.093 10.626 -14.586 317 HA ARG 42 HA ARG 42 16.988 12.373 -13.688 318 HB2 ARG 42 1HB ARG 42 19.146 12.752 -15.710 319 HB3 ARG 42 2HB ARG 42 17.966 14.000 -15.247 320 HG2 ARG 42 1HG ARG 42 18.765 13.941 -12.945 321 HG3 ARG 42 2HG ARG 42 19.897 12.629 -13.352 322 HD2 ARG 42 1HD ARG 42 21.066 14.139 -14.860 323 HD3 ARG 42 2HD ARG 42 19.958 15.447 -14.382 324 HE ARG 42 HE ARG 42 21.267 14.594 -11.976 325 HH11 ARG 42 1HH1 ARG 42 22.253 15.931 -15.042 326 HH12 ARG 42 2HH1 ARG 42 23.615 16.718 -14.268 327 HH21 ARG 42 1HH2 ARG 42 22.826 15.483 -11.076 328 HH22 ARG 42 2HH2 ARG 42 23.942 16.463 -12.006 329 H SER 43 HN SER 43 17.517 10.588 -16.679 330 HA SER 43 HA SER 43 15.402 11.745 -18.276 331 HB2 SER 43 1HB SER 43 16.624 9.053 -18.310 332 HB3 SER 43 2HB SER 43 15.455 9.699 -19.485 333 HG SER 43 HG SER 43 17.629 9.992 -20.142 334 H GLN 44 HN GLN 44 15.504 9.036 -15.934 335 HA GLN 44 HA GLN 44 12.745 8.276 -16.259 336 HB2 GLN 44 1HB GLN 44 14.695 7.951 -13.971 337 HB3 GLN 44 2HB GLN 44 13.066 7.234 -14.004 338 HG2 GLN 44 1HG GLN 44 15.236 6.415 -16.130 339 HG3 GLN 44 2HG GLN 44 14.880 5.857 -14.478 340 HE21 GLN 44 2HE2 GLN 44 14.145 3.832 -14.978 341 HE22 GLN 44 1HE2 GLN 44 12.708 3.530 -15.897 342 H ILE 45 HN ILE 45 14.363 10.652 -14.222 343 HA ILE 45 HA ILE 45 12.049 11.256 -12.579 344 HB ILE 45 HB ILE 45 14.528 12.876 -13.314 345 HG12 ILE 45 1HG1 ILE 45 13.775 11.561 -10.720 346 HG13 ILE 45 2HG1 ILE 45 14.794 10.808 -11.969 347 HG21 ILE 45 1HG2 ILE 45 13.861 14.399 -11.485 348 HG22 ILE 45 2HG2 ILE 45 12.640 14.379 -12.777 349 HG23 ILE 45 3HG2 ILE 45 12.352 13.481 -11.269 350 HD11 ILE 45 3HD1 ILE 45 15.410 13.391 -10.490 351 HD12 ILE 45 1HD1 ILE 45 16.167 11.811 -10.186 352 HD13 ILE 45 2HD1 ILE 45 16.428 12.639 -11.740 353 H GLN 46 HN GLN 46 13.331 12.795 -15.528 354 HA GLN 46 HA GLN 46 11.332 14.898 -15.384 355 HB2 GLN 46 1HB GLN 46 13.215 13.987 -17.569 356 HB3 GLN 46 2HB GLN 46 12.150 15.407 -17.695 357 HG2 GLN 46 1HG GLN 46 13.553 16.397 -15.580 358 HG3 GLN 46 2HG GLN 46 14.296 14.805 -15.858 359 HE21 GLN 46 2HE2 GLN 46 15.960 16.899 -15.827 360 HE22 GLN 46 1HE2 GLN 46 16.489 17.312 -17.423 361 H ARG 47 HN ARG 47 11.346 11.697 -16.628 362 HA ARG 47 HA ARG 47 8.984 12.313 -18.365 363 HB2 ARG 47 1HB ARG 47 10.789 9.936 -18.381 364 HB3 ARG 47 2HB ARG 47 9.343 10.172 -19.389 365 HG2 ARG 47 1HG ARG 47 11.738 12.028 -19.421 366 HG3 ARG 47 2HG ARG 47 11.547 10.646 -20.527 367 HD2 ARG 47 1HD ARG 47 9.439 11.654 -21.311 368 HD3 ARG 47 2HD ARG 47 9.806 13.078 -20.309 369 HE ARG 47 HE ARG 47 11.999 12.712 -22.169 370 HH11 ARG 47 1HH1 ARG 47 8.613 13.543 -22.249 371 HH12 ARG 47 2HH1 ARG 47 8.880 14.514 -23.683 372 HH21 ARG 47 1HH2 ARG 47 12.319 13.814 -23.815 373 HH22 ARG 47 2HH2 ARG 47 10.993 14.669 -24.578 374 H ALA 48 HN ALA 48 9.493 11.574 -15.284 375 HA ALA 48 HA ALA 48 7.805 9.218 -15.000 376 HB1 ALA 48 3HB ALA 48 8.750 11.248 -12.946 377 HB2 ALA 48 1HB ALA 48 7.964 9.693 -12.586 378 HB3 ALA 48 2HB ALA 48 9.564 9.722 -13.364 379 H ARG 49 HN ARG 49 5.694 9.088 -15.001 380 HA ARG 49 HA ARG 49 4.016 11.496 -14.845 381 HB2 ARG 49 1HB ARG 49 3.352 8.597 -15.046 382 HB3 ARG 49 2HB ARG 49 2.153 9.903 -14.897 383 HG2 ARG 49 1HG ARG 49 3.078 10.913 -16.984 384 HG3 ARG 49 2HG ARG 49 4.138 9.493 -17.152 385 HD2 ARG 49 1HD ARG 49 2.221 8.063 -17.363 386 HD3 ARG 49 2HD ARG 49 1.137 9.454 -17.133 387 HE ARG 49 HE ARG 49 2.739 9.922 -19.515 388 HH11 ARG 49 1HH1 ARG 49 0.192 7.809 -18.415 389 HH12 ARG 49 2HH1 ARG 49 -0.414 7.676 -20.054 390 HH21 ARG 49 1HH2 ARG 49 2.062 9.773 -21.398 391 HH22 ARG 49 2HH2 ARG 49 0.653 8.794 -21.757 392 HA PRO 50 HA PRO 50 3.038 11.783 -10.607 393 HB2 PRO 50 1HB PRO 50 0.127 11.332 -11.405 394 HB3 PRO 50 2HB PRO 50 0.813 12.636 -10.424 395 HG2 PRO 50 1HG PRO 50 0.106 13.143 -12.940 396 HG3 PRO 50 2HG PRO 50 1.615 13.821 -12.316 397 HD2 PRO 50 1HD PRO 50 1.223 11.437 -14.165 398 HD3 PRO 50 2HD PRO 50 2.481 12.678 -14.206 399 H VAL 51 HN VAL 51 1.484 9.173 -12.421 400 HA VAL 51 HA VAL 51 1.337 7.502 -9.958 401 HB VAL 51 HB VAL 51 0.624 6.921 -12.863 402 HG11 VAL 51 1HG1 VAL 51 -0.429 4.876 -11.957 403 HG12 VAL 51 2HG1 VAL 51 1.322 4.889 -11.641 404 HG13 VAL 51 3HG1 VAL 51 0.179 5.281 -10.335 405 HG21 VAL 51 3HG2 VAL 51 -0.860 8.550 -11.856 406 HG22 VAL 51 1HG2 VAL 51 -1.690 6.992 -12.082 407 HG23 VAL 51 2HG2 VAL 51 -1.127 7.473 -10.463 408 H LYS 52 HN LYS 52 3.097 7.547 -13.045 409 HA LYS 52 HA LYS 52 4.496 5.090 -12.564 410 HB2 LYS 52 1HB LYS 52 4.264 6.188 -14.758 411 HB3 LYS 52 2HB LYS 52 5.339 7.490 -14.196 412 HG2 LYS 52 1HG LYS 52 7.183 5.913 -13.965 413 HG3 LYS 52 2HG LYS 52 6.118 4.563 -14.421 414 HD2 LYS 52 1HD LYS 52 5.761 5.609 -16.633 415 HD3 LYS 52 2HD LYS 52 6.863 6.929 -16.175 416 HE2 LYS 52 1HE LYS 52 8.701 5.341 -15.925 417 HE3 LYS 52 2HE LYS 52 7.609 3.992 -16.310 418 HZ1 LYS 52 3HZ LYS 52 8.313 6.201 -18.134 419 HZ2 LYS 52 1HZ LYS 52 8.902 4.662 -18.219 420 HZ3 LYS 52 2HZ LYS 52 7.300 4.949 -18.491 421 H MET 53 HN MET 53 5.167 8.421 -11.631 422 HA MET 53 HA MET 53 7.910 8.093 -10.921 423 HB2 MET 53 1HB MET 53 6.703 10.238 -11.135 424 HB3 MET 53 2HB MET 53 5.825 9.857 -9.634 425 HG2 MET 53 1HG MET 53 7.950 9.839 -8.398 426 HG3 MET 53 2HG MET 53 8.825 10.226 -9.899 427 HE1 MET 53 3HE MET 53 7.388 12.395 -11.405 428 HE2 MET 53 1HE MET 53 7.947 13.892 -10.619 429 HE3 MET 53 2HE MET 53 9.087 12.552 -10.895 430 H ALA 54 HN ALA 54 4.959 7.612 -8.993 431 HA ALA 54 HA ALA 54 6.244 7.010 -6.541 432 HB1 ALA 54 3HB ALA 54 3.648 5.897 -7.659 433 HB2 ALA 54 1HB ALA 54 4.158 5.833 -5.957 434 HB3 ALA 54 2HB ALA 54 3.829 7.403 -6.728 435 H THR 55 HN THR 55 5.349 4.865 -9.241 436 HA THR 55 HA THR 55 6.338 2.455 -8.013 437 HB THR 55 HB THR 55 6.048 3.181 -10.960 438 HG1 THR 55 HG1 THR 55 4.094 1.945 -10.703 439 HG21 THR 55 3HG2 THR 55 6.373 0.479 -9.592 440 HG22 THR 55 1HG2 THR 55 6.070 0.738 -11.327 441 HG23 THR 55 2HG2 THR 55 7.597 1.290 -10.597 442 H LEU 56 HN LEU 56 7.857 4.864 -10.134 443 HA LEU 56 HA LEU 56 10.323 3.442 -10.477 444 HB2 LEU 56 1HB LEU 56 9.545 6.278 -10.475 445 HB3 LEU 56 2HB LEU 56 11.208 5.857 -10.951 446 HG LEU 56 HG LEU 56 8.659 4.972 -12.360 447 HD11 LEU 56 1HD1 LEU 56 9.471 6.447 -14.219 448 HD12 LEU 56 2HD1 LEU 56 9.194 7.378 -12.728 449 HD13 LEU 56 3HD1 LEU 56 10.850 6.937 -13.207 450 HD21 LEU 56 3HD2 LEU 56 10.398 3.287 -12.491 451 HD22 LEU 56 1HD2 LEU 56 10.180 4.058 -14.080 452 HD23 LEU 56 2HD2 LEU 56 11.570 4.499 -13.059 453 H LEU 57 HN LEU 57 9.283 5.809 -8.042 454 HA LEU 57 HA LEU 57 11.860 6.009 -6.771 455 HB2 LEU 57 1HB LEU 57 9.077 6.434 -5.921 456 HB3 LEU 57 2HB LEU 57 10.383 6.879 -4.799 457 HG LEU 57 HG LEU 57 9.914 8.069 -7.560 458 HD11 LEU 57 1HD1 LEU 57 9.330 10.153 -6.291 459 HD12 LEU 57 2HD1 LEU 57 8.231 8.817 -5.880 460 HD13 LEU 57 3HD1 LEU 57 9.544 9.264 -4.764 461 HD21 LEU 57 3HD2 LEU 57 12.270 7.986 -6.993 462 HD22 LEU 57 1HD2 LEU 57 11.692 9.668 -6.936 463 HD23 LEU 57 2HD2 LEU 57 11.950 8.763 -5.425 464 H VAL 58 HN VAL 58 9.051 3.922 -6.202 465 HA VAL 58 HA VAL 58 10.254 2.603 -3.874 466 HB VAL 58 HB VAL 58 7.942 1.833 -5.702 467 HG11 VAL 58 1HG1 VAL 58 7.395 0.159 -3.968 468 HG12 VAL 58 2HG1 VAL 58 8.990 -0.162 -4.687 469 HG13 VAL 58 3HG1 VAL 58 8.874 0.595 -3.081 470 HG21 VAL 58 3HG2 VAL 58 7.514 3.832 -4.403 471 HG22 VAL 58 1HG2 VAL 58 6.542 2.469 -3.804 472 HG23 VAL 58 2HG2 VAL 58 7.991 2.987 -2.910 473 H THR 59 HN THR 59 10.391 2.145 -7.329 474 HA THR 59 HA THR 59 11.561 -0.517 -7.164 475 HB THR 59 HB THR 59 11.623 1.562 -9.390 476 HG1 THR 59 HG1 THR 59 9.996 0.148 -10.264 477 HG21 THR 59 3HG2 THR 59 12.335 -1.397 -9.414 478 HG22 THR 59 1HG2 THR 59 12.274 -0.330 -10.838 479 HG23 THR 59 2HG2 THR 59 13.488 -0.049 -9.565 480 H TYR 60 HN TYR 60 12.899 2.760 -7.604 481 HA TYR 60 HA TYR 60 15.627 1.673 -7.759 482 HB2 TYR 60 1HB TYR 60 14.419 4.432 -7.816 483 HB3 TYR 60 2HB TYR 60 16.177 4.170 -7.714 484 HD1 TYR 60 HD2 TYR 60 17.199 2.615 -9.555 485 HD2 TYR 60 HD1 TYR 60 13.414 4.545 -9.924 486 HE1 TYR 60 HE2 TYR 60 17.312 2.346 -12.010 487 HE2 TYR 60 HE1 TYR 60 13.513 4.284 -12.385 488 HH TYR 60 HH TYR 60 16.275 2.712 -14.004 489 H TYR 61 HN TYR 61 13.546 3.081 -5.333 490 HA TYR 61 HA TYR 61 15.851 3.008 -3.409 491 HB2 TYR 61 1HB TYR 61 13.459 4.859 -3.380 492 HB3 TYR 61 2HB TYR 61 14.802 4.827 -2.210 493 HD1 TYR 61 HD2 TYR 61 17.055 5.609 -2.894 494 HD2 TYR 61 HD1 TYR 61 13.704 5.952 -5.510 495 HE1 TYR 61 HE2 TYR 61 18.317 7.216 -4.283 496 HE2 TYR 61 HE1 TYR 61 14.956 7.565 -6.913 497 HH TYR 61 HH TYR 61 17.108 9.287 -6.345 498 H GLY 62 HN GLY 62 15.098 2.902 -1.103 499 HA2 GLY 62 1HA GLY 62 13.519 0.478 -0.840 500 HA3 GLY 62 2HA GLY 62 14.248 1.424 0.477 501 H GLU 63 HN GLU 63 11.930 0.504 1.167 502 HA GLU 63 HA GLU 63 9.608 1.949 0.234 503 HB2 GLU 63 1HB GLU 63 10.173 0.383 2.753 504 HB3 GLU 63 2HB GLU 63 8.586 1.082 2.347 505 HG2 GLU 63 1HG GLU 63 8.460 -0.404 0.318 506 HG3 GLU 63 2HG GLU 63 10.118 -0.904 0.722 507 H GLU 64 HN GLU 64 11.846 2.428 2.941 508 HA GLU 64 HA GLU 64 10.318 4.812 3.821 509 HB2 GLU 64 1HB GLU 64 12.855 3.523 4.835 510 HB3 GLU 64 2HB GLU 64 12.065 4.946 5.557 511 HG2 GLU 64 1HG GLU 64 10.031 3.495 6.062 512 HG3 GLU 64 2HG GLU 64 10.944 2.189 5.272 513 H TYR 65 HN TYR 65 12.995 4.018 1.803 514 HA TYR 65 HA TYR 65 14.280 6.651 2.054 515 HB2 TYR 65 1HB TYR 65 14.679 4.295 0.205 516 HB3 TYR 65 2HB TYR 65 15.612 5.808 0.100 517 HD1 TYR 65 HD2 TYR 65 17.205 6.407 1.883 518 HD2 TYR 65 HD1 TYR 65 15.100 2.700 1.974 519 HE1 TYR 65 HE2 TYR 65 18.784 5.565 3.589 520 HE2 TYR 65 HE1 TYR 65 16.674 1.840 3.683 521 HH TYR 65 HH TYR 65 19.372 3.816 4.924 522 H ALA 66 HN ALA 66 12.144 5.010 -0.249 523 HA ALA 66 HA ALA 66 12.070 7.161 -2.145 524 HB1 ALA 66 3HB ALA 66 9.974 5.062 -1.492 525 HB2 ALA 66 1HB ALA 66 9.992 6.101 -2.936 526 HB3 ALA 66 2HB ALA 66 11.283 4.902 -2.687 527 H VAL 67 HN VAL 67 10.147 6.437 0.748 528 HA VAL 67 HA VAL 67 8.335 8.706 0.404 529 HB VAL 67 HB VAL 67 9.050 6.997 2.821 530 HG11 VAL 67 1HG1 VAL 67 7.071 8.027 3.888 531 HG12 VAL 67 2HG1 VAL 67 8.308 9.251 3.515 532 HG13 VAL 67 3HG1 VAL 67 6.868 9.095 2.480 533 HG21 VAL 67 3HG2 VAL 67 7.903 5.776 1.072 534 HG22 VAL 67 1HG2 VAL 67 6.837 6.018 2.476 535 HG23 VAL 67 2HG2 VAL 67 6.626 7.015 1.016 536 H GLN 68 HN GLN 68 11.276 8.183 2.331 537 HA GLN 68 HA GLN 68 11.289 10.742 3.580 538 HB2 GLN 68 1HB GLN 68 12.745 8.863 4.205 539 HB3 GLN 68 2HB GLN 68 13.614 9.037 2.662 540 HG2 GLN 68 1HG GLN 68 14.380 11.473 3.573 541 HG3 GLN 68 2HG GLN 68 13.321 10.876 4.872 542 HE21 GLN 68 2HE2 GLN 68 15.860 11.711 5.466 543 HE22 GLN 68 1HE2 GLN 68 16.852 10.352 5.880 544 H LEU 69 HN LEU 69 12.802 9.701 0.519 545 HA LEU 69 HA LEU 69 13.905 12.226 -0.180 546 HB2 LEU 69 1HB LEU 69 14.484 10.287 -1.228 547 HB3 LEU 69 2HB LEU 69 12.886 9.915 -1.916 548 HG LEU 69 HG LEU 69 13.059 12.034 -3.260 549 HD11 LEU 69 1HD1 LEU 69 15.346 13.025 -3.541 550 HD12 LEU 69 2HD1 LEU 69 14.783 13.165 -1.859 551 HD13 LEU 69 3HD1 LEU 69 15.965 11.909 -2.300 552 HD21 LEU 69 3HD2 LEU 69 13.508 9.874 -4.265 553 HD22 LEU 69 1HD2 LEU 69 14.605 11.099 -4.944 554 HD23 LEU 69 2HD2 LEU 69 15.203 9.944 -3.727 555 H THR 70 HN THR 70 10.746 10.839 -1.113 556 HA THR 70 HA THR 70 9.801 13.110 -2.532 557 HB THR 70 HB THR 70 8.247 11.075 -0.879 558 HG1 THR 70 HG1 THR 70 9.434 10.230 -2.680 559 HG21 THR 70 3HG2 THR 70 7.296 13.040 -3.000 560 HG22 THR 70 1HG2 THR 70 6.301 11.787 -2.223 561 HG23 THR 70 2HG2 THR 70 6.942 13.139 -1.260 562 H LEU 71 HN LEU 71 9.515 12.324 0.930 563 HA LEU 71 HA LEU 71 7.869 14.527 1.640 564 HB2 LEU 71 1HB LEU 71 8.430 12.583 2.914 565 HB3 LEU 71 2HB LEU 71 10.034 13.205 3.364 566 HG LEU 71 HG LEU 71 7.420 14.628 3.975 567 HD11 LEU 71 1HD1 LEU 71 7.746 13.829 6.331 568 HD12 LEU 71 2HD1 LEU 71 7.540 12.464 5.208 569 HD13 LEU 71 3HD1 LEU 71 9.163 12.892 5.800 570 HD21 LEU 71 3HD2 LEU 71 9.354 16.085 3.849 571 HD22 LEU 71 1HD2 LEU 71 8.811 15.943 5.538 572 HD23 LEU 71 2HD2 LEU 71 10.247 15.047 4.984 573 H GLN 72 HN GLN 72 11.418 14.292 1.509 574 HA GLN 72 HA GLN 72 11.861 16.936 2.563 575 HB2 GLN 72 1HB GLN 72 13.534 15.078 0.867 576 HB3 GLN 72 2HB GLN 72 14.114 16.653 1.458 577 HG2 GLN 72 1HG GLN 72 13.771 15.658 3.949 578 HG3 GLN 72 2HG GLN 72 13.161 14.346 2.915 579 HE21 GLN 72 2HE2 GLN 72 15.214 14.111 4.891 580 HE22 GLN 72 1HE2 GLN 72 16.681 13.679 4.076 581 H VAL 73 HN VAL 73 11.465 15.686 -0.722 582 HA VAL 73 HA VAL 73 12.111 18.238 -2.007 583 HB VAL 73 HB VAL 73 10.639 15.771 -3.021 584 HG11 VAL 73 1HG1 VAL 73 11.020 16.738 -5.265 585 HG12 VAL 73 2HG1 VAL 73 10.005 17.808 -4.269 586 HG13 VAL 73 3HG1 VAL 73 11.726 18.190 -4.519 587 HG21 VAL 73 3HG2 VAL 73 12.948 15.311 -2.446 588 HG22 VAL 73 1HG2 VAL 73 12.720 15.295 -4.210 589 HG23 VAL 73 2HG2 VAL 73 13.487 16.696 -3.427 590 H LEU 74 HN LEU 74 9.138 16.677 -0.919 591 HA LEU 74 HA LEU 74 7.301 18.546 -2.015 592 HB2 LEU 74 1HB LEU 74 7.439 16.958 0.447 593 HB3 LEU 74 2HB LEU 74 5.956 17.901 0.171 594 HG LEU 74 HG LEU 74 7.038 15.717 -1.653 595 HD11 LEU 74 1HD1 LEU 74 5.047 14.407 -0.870 596 HD12 LEU 74 2HD1 LEU 74 6.127 14.812 0.485 597 HD13 LEU 74 3HD1 LEU 74 4.626 15.735 0.235 598 HD21 LEU 74 3HD2 LEU 74 5.842 17.439 -2.873 599 HD22 LEU 74 1HD2 LEU 74 4.876 15.944 -2.829 600 HD23 LEU 74 2HD2 LEU 74 4.458 17.306 -1.761 601 H ARG 75 HN ARG 75 9.125 18.676 1.039 602 HA ARG 75 HA ARG 75 8.109 21.253 1.835 603 HB2 ARG 75 1HB ARG 75 10.610 19.802 2.558 604 HB3 ARG 75 2HB ARG 75 10.133 21.383 3.220 605 HG2 ARG 75 1HG ARG 75 8.090 20.390 4.142 606 HG3 ARG 75 2HG ARG 75 8.546 18.809 3.463 607 HD2 ARG 75 1HD ARG 75 10.477 18.735 4.896 608 HD3 ARG 75 2HD ARG 75 10.069 20.340 5.549 609 HE ARG 75 HE ARG 75 7.858 18.599 6.172 610 HH11 ARG 75 1HH1 ARG 75 11.249 18.814 6.957 611 HH12 ARG 75 2HH1 ARG 75 10.941 18.075 8.516 612 HH21 ARG 75 1HH2 ARG 75 7.491 17.744 7.951 613 HH22 ARG 75 2HH2 ARG 75 8.798 17.464 9.084 614 H ALA 76 HN ALA 76 10.714 20.247 -0.304 615 HA ALA 76 HA ALA 76 11.958 22.838 -0.471 616 HB1 ALA 76 3HB ALA 76 11.978 20.521 -2.434 617 HB2 ALA 76 1HB ALA 76 13.071 21.923 -2.469 618 HB3 ALA 76 2HB ALA 76 13.134 20.780 -1.107 619 H ILE 77 HN ILE 77 9.150 21.428 -1.953 620 HA ILE 77 HA ILE 77 8.997 23.723 -3.889 621 HB ILE 77 HB ILE 77 7.336 22.346 -5.096 622 HG12 ILE 77 1HG1 ILE 77 7.950 20.160 -3.129 623 HG13 ILE 77 2HG1 ILE 77 6.526 21.223 -3.034 624 HG21 ILE 77 1HG2 ILE 77 8.841 20.557 -5.898 625 HG22 ILE 77 2HG2 ILE 77 9.720 22.089 -5.696 626 HG23 ILE 77 3HG2 ILE 77 9.888 20.802 -4.481 627 HD11 ILE 77 3HD1 ILE 77 7.204 19.361 -5.338 628 HD12 ILE 77 1HD1 ILE 77 5.962 19.073 -4.098 629 HD13 ILE 77 2HD1 ILE 77 5.781 20.424 -5.243 630 H ASN 78 HN ASN 78 8.301 23.592 -0.934 631 HA ASN 78 HA ASN 78 6.784 24.831 0.319 632 HB2 ASN 78 1HB ASN 78 5.675 25.952 -2.364 633 HB3 ASN 78 2HB ASN 78 5.370 26.203 -0.628 634 HD21 ASN 78 2HD2 ASN 78 6.489 27.879 -2.896 635 HD22 ASN 78 1HD2 ASN 78 7.945 28.552 -2.242 636 H GLN 79 HN GLN 79 6.259 22.122 -0.170 637 HA GLN 79 HA GLN 79 3.301 22.259 0.271 638 HB2 GLN 79 1HB GLN 79 4.875 20.089 -1.133 639 HB3 GLN 79 2HB GLN 79 3.171 19.957 -0.636 640 HG2 GLN 79 1HG GLN 79 4.146 21.942 -2.875 641 HG3 GLN 79 2HG GLN 79 3.435 20.312 -2.834 642 HE21 GLN 79 2HE2 GLN 79 2.500 23.024 -3.852 643 HE22 GLN 79 1HE2 GLN 79 0.928 23.222 -3.151 644 H ARG 80 HN ARG 80 4.338 22.662 2.457 645 HA ARG 80 HA ARG 80 5.424 20.393 3.885 646 HB2 ARG 80 1HB ARG 80 4.155 22.930 4.789 647 HB3 ARG 80 2HB ARG 80 4.686 21.647 5.901 648 HG2 ARG 80 1HG ARG 80 6.981 21.851 5.032 649 HG3 ARG 80 2HG ARG 80 6.446 23.149 3.937 650 HD2 ARG 80 1HD ARG 80 5.912 24.544 5.812 651 HD3 ARG 80 2HD ARG 80 6.359 23.239 6.936 652 HE ARG 80 HE ARG 80 8.719 23.899 5.405 653 HH11 ARG 80 1HH1 ARG 80 6.625 25.443 7.727 654 HH12 ARG 80 2HH1 ARG 80 7.970 26.404 8.310 655 HH21 ARG 80 1HH2 ARG 80 10.267 24.999 6.055 656 HH22 ARG 80 2HH2 ARG 80 10.047 26.152 7.356 657 H LEU 81 HN LEU 81 2.165 21.473 3.154 658 HA LEU 81 HA LEU 81 0.731 19.818 4.963 659 HB2 LEU 81 1HB LEU 81 -0.273 21.456 3.751 660 HB3 LEU 81 2HB LEU 81 0.062 20.790 2.137 661 HG LEU 81 HG LEU 81 -1.357 18.800 2.759 662 HD11 LEU 81 1HD1 LEU 81 -2.954 19.106 4.671 663 HD12 LEU 81 2HD1 LEU 81 -1.266 19.105 5.232 664 HD13 LEU 81 3HD1 LEU 81 -2.151 20.641 5.075 665 HD21 LEU 81 3HD2 LEU 81 -2.211 20.562 1.330 666 HD22 LEU 81 1HD2 LEU 81 -3.507 19.962 2.392 667 HD23 LEU 81 2HD2 LEU 81 -2.709 21.513 2.749 668 H LEU 82 HN LEU 82 1.761 19.079 1.621 669 HA LEU 82 HA LEU 82 0.838 16.346 1.755 670 HB2 LEU 82 1HB LEU 82 2.781 17.819 0.111 671 HB3 LEU 82 2HB LEU 82 2.421 16.129 -0.311 672 HG LEU 82 HG LEU 82 0.442 18.442 -0.296 673 HD11 LEU 82 1HD1 LEU 82 0.400 18.086 -2.779 674 HD12 LEU 82 2HD1 LEU 82 2.033 18.514 -2.214 675 HD13 LEU 82 3HD1 LEU 82 1.641 16.822 -2.603 676 HD21 LEU 82 3HD2 LEU 82 -0.612 16.357 0.354 677 HD22 LEU 82 1HD2 LEU 82 -1.142 16.821 -1.280 678 HD23 LEU 82 2HD2 LEU 82 0.070 15.534 -1.068 679 H ALA 83 HN ALA 83 3.877 17.923 2.555 680 HA ALA 83 HA ALA 83 5.445 15.558 2.847 681 HB1 ALA 83 3HB ALA 83 5.626 18.196 4.342 682 HB2 ALA 83 1HB ALA 83 6.888 16.943 4.289 683 HB3 ALA 83 2HB ALA 83 6.428 17.806 2.802 684 H GLU 84 HN GLU 84 3.389 17.313 5.167 685 HA GLU 84 HA GLU 84 3.891 15.490 7.357 686 HB2 GLU 84 1HB GLU 84 3.050 17.748 7.691 687 HB3 GLU 84 2HB GLU 84 1.572 17.342 6.785 688 HG2 GLU 84 1HG GLU 84 1.028 15.622 8.621 689 HG3 GLU 84 2HG GLU 84 2.511 16.228 9.394 690 H GLU 85 HN GLU 85 1.330 15.688 4.894 691 HA GLU 85 HA GLU 85 -0.219 13.507 5.960 692 HB2 GLU 85 1HB GLU 85 -0.004 14.723 3.206 693 HB3 GLU 85 2HB GLU 85 -1.146 13.423 3.626 694 HG2 GLU 85 1HG GLU 85 -1.146 16.263 4.814 695 HG3 GLU 85 2HG GLU 85 -2.233 15.518 3.620 696 H LEU 86 HN LEU 86 2.468 13.652 3.669 697 HA LEU 86 HA LEU 86 2.396 10.844 2.991 698 HB2 LEU 86 1HB LEU 86 3.455 12.418 1.694 699 HB3 LEU 86 2HB LEU 86 4.659 12.911 2.907 700 HG LEU 86 HG LEU 86 5.552 10.562 2.866 701 HD11 LEU 86 1HD1 LEU 86 4.942 9.140 0.890 702 HD12 LEU 86 2HD1 LEU 86 3.526 9.461 1.918 703 HD13 LEU 86 3HD1 LEU 86 3.747 10.364 0.399 704 HD21 LEU 86 3HD2 LEU 86 6.668 12.345 1.658 705 HD22 LEU 86 1HD2 LEU 86 6.774 10.827 0.735 706 HD23 LEU 86 2HD2 LEU 86 5.614 12.086 0.246 707 H HIS 87 HN HIS 87 4.191 12.691 5.453 708 HA HIS 87 HA HIS 87 5.528 10.479 6.644 709 HB2 HIS 87 1HB HIS 87 6.062 12.810 7.249 710 HB3 HIS 87 2HB HIS 87 4.441 13.011 7.957 711 HD1 HIS 87 HD1 HIS 87 7.621 10.987 8.475 712 HD2 HIS 87 HD2 HIS 87 4.331 12.383 10.706 713 HE1 HIS 87 HE1 HIS 87 8.058 10.348 10.792 714 H ARG 88 HN ARG 88 2.283 11.801 7.262 715 HA ARG 88 HA ARG 88 1.655 9.940 9.373 716 HB2 ARG 88 1HB ARG 88 -0.106 11.542 7.577 717 HB3 ARG 88 2HB ARG 88 -0.675 10.512 8.912 718 HG2 ARG 88 1HG ARG 88 0.579 11.867 10.515 719 HG3 ARG 88 2HG ARG 88 1.208 12.876 9.190 720 HD2 ARG 88 1HD ARG 88 -1.109 13.538 8.684 721 HD3 ARG 88 2HD ARG 88 -1.630 12.647 10.134 722 HE ARG 88 HE ARG 88 -0.332 15.316 10.203 723 HH11 ARG 88 1HH1 ARG 88 -1.110 12.454 12.037 724 HH12 ARG 88 2HH1 ARG 88 -0.912 13.350 13.530 725 HH21 ARG 88 1HH2 ARG 88 -0.110 16.358 11.903 726 HH22 ARG 88 2HH2 ARG 88 -0.343 15.576 13.456 727 H ALA 89 HN ALA 89 1.260 9.828 5.857 728 HA ALA 89 HA ALA 89 -0.114 7.307 5.811 729 HB1 ALA 89 3HB ALA 89 1.717 8.573 3.745 730 HB2 ALA 89 1HB ALA 89 0.622 7.201 3.461 731 HB3 ALA 89 2HB ALA 89 -0.043 8.801 3.866 732 H ALA 90 HN ALA 90 3.310 8.194 5.902 733 HA ALA 90 HA ALA 90 4.307 5.525 5.527 734 HB1 ALA 90 3HB ALA 90 5.563 7.903 6.939 735 HB2 ALA 90 1HB ALA 90 6.414 6.425 6.436 736 HB3 ALA 90 2HB ALA 90 5.717 7.510 5.211 737 H ILE 91 HN ILE 91 3.297 7.357 8.376 738 HA ILE 91 HA ILE 91 4.086 5.398 10.342 739 HB ILE 91 HB ILE 91 1.842 7.464 10.303 740 HG12 ILE 91 1HG1 ILE 91 4.425 7.445 11.836 741 HG13 ILE 91 2HG1 ILE 91 4.201 8.235 10.258 742 HG21 ILE 91 1HG2 ILE 91 1.656 7.055 12.733 743 HG22 ILE 91 2HG2 ILE 91 1.260 5.590 11.807 744 HG23 ILE 91 3HG2 ILE 91 2.844 5.737 12.604 745 HD11 ILE 91 3HD1 ILE 91 2.680 8.889 12.806 746 HD12 ILE 91 1HD1 ILE 91 3.996 9.857 12.102 747 HD13 ILE 91 2HD1 ILE 91 2.456 9.679 11.227 748 H GLN 92 HN GLN 92 1.123 5.754 8.429 749 HA GLN 92 HA GLN 92 -0.105 3.392 9.598 750 HB2 GLN 92 1HB GLN 92 -0.586 4.914 7.029 751 HB3 GLN 92 2HB GLN 92 -1.572 3.535 7.574 752 HG2 GLN 92 1HG GLN 92 -2.223 5.067 9.710 753 HG3 GLN 92 2HG GLN 92 -1.063 6.088 8.830 754 HE21 GLN 92 2HE2 GLN 92 -3.641 6.941 9.539 755 HE22 GLN 92 1HE2 GLN 92 -4.570 7.163 8.093 756 H LEU 93 HN LEU 93 2.046 3.992 6.886 757 HA LEU 93 HA LEU 93 1.727 1.486 5.559 758 HB2 LEU 93 1HB LEU 93 2.788 3.386 4.699 759 HB3 LEU 93 2HB LEU 93 4.208 3.281 5.764 760 HG LEU 93 HG LEU 93 4.634 0.981 4.771 761 HD11 LEU 93 1HD1 LEU 93 3.611 0.550 2.521 762 HD12 LEU 93 2HD1 LEU 93 2.366 0.646 3.790 763 HD13 LEU 93 3HD1 LEU 93 2.634 2.027 2.699 764 HD21 LEU 93 3HD2 LEU 93 5.967 2.913 4.164 765 HD22 LEU 93 1HD2 LEU 93 5.712 1.878 2.737 766 HD23 LEU 93 2HD2 LEU 93 4.777 3.383 2.926 Start of MODEL 7 1 H THR 4 1H THR 4 -0.718 -0.024 0.254 2 HA THR 4 HA THR 4 1.861 -0.142 1.481 3 HB THR 4 HB THR 4 2.762 -0.410 -0.770 4 HG1 THR 4 HG1 THR 4 1.236 -0.156 -2.563 5 HG21 THR 4 3HG2 THR 4 0.035 -1.739 -0.518 6 HG22 THR 4 1HG2 THR 4 1.362 -2.280 -1.572 7 HG23 THR 4 2HG2 THR 4 1.550 -2.334 0.198 8 HA PRO 5 HA PRO 5 3.370 3.988 1.358 9 HB2 PRO 5 1HB PRO 5 6.054 3.490 0.856 10 HB3 PRO 5 2HB PRO 5 5.341 3.184 2.446 11 HG2 PRO 5 1HG PRO 5 5.879 1.229 0.186 12 HG3 PRO 5 2HG PRO 5 6.197 1.043 1.916 13 HD2 PRO 5 1HD PRO 5 3.992 -0.087 0.781 14 HD3 PRO 5 2HD PRO 5 3.919 0.568 2.422 15 H SER 6 HN SER 6 3.873 1.762 -1.293 16 HA SER 6 HA SER 6 4.696 3.674 -3.315 17 HB2 SER 6 1HB SER 6 5.010 1.381 -3.589 18 HB3 SER 6 2HB SER 6 3.253 1.105 -3.573 19 HG SER 6 HG SER 6 4.109 1.273 -5.691 20 H ASP 7 HN ASP 7 1.496 2.327 -2.383 21 HA ASP 7 HA ASP 7 0.006 4.004 -4.207 22 HB2 ASP 7 1HB ASP 7 -0.882 2.428 -1.718 23 HB3 ASP 7 2HB ASP 7 -1.855 3.459 -2.795 24 H HIS 8 HN HIS 8 1.034 4.363 -0.851 25 HA HIS 8 HA HIS 8 -0.473 6.733 -0.278 26 HB2 HIS 8 1HB HIS 8 2.200 5.729 0.792 27 HB3 HIS 8 2HB HIS 8 1.333 7.141 1.441 28 HD1 HIS 8 HD1 HIS 8 1.908 4.754 3.233 29 HD2 HIS 8 HD2 HIS 8 -1.679 5.120 1.136 30 HE1 HIS 8 HE1 HIS 8 0.342 3.392 4.450 31 H LEU 9 HN LEU 9 2.792 6.300 -1.639 32 HA LEU 9 HA LEU 9 3.240 9.127 -2.038 33 HB2 LEU 9 1HB LEU 9 4.264 6.650 -3.245 34 HB3 LEU 9 2HB LEU 9 4.988 8.195 -3.746 35 HG LEU 9 HG LEU 9 4.975 7.093 -0.911 36 HD11 LEU 9 1HD1 LEU 9 7.432 6.742 -1.278 37 HD12 LEU 9 2HD1 LEU 9 6.464 5.781 -2.420 38 HD13 LEU 9 3HD1 LEU 9 7.242 7.286 -2.961 39 HD21 LEU 9 3HD2 LEU 9 4.973 9.517 -0.982 40 HD22 LEU 9 1HD2 LEU 9 6.563 8.928 -0.442 41 HD23 LEU 9 2HD2 LEU 9 6.350 9.513 -2.110 42 H LEU 10 HN LEU 10 1.783 6.588 -4.016 43 HA LEU 10 HA LEU 10 1.622 7.980 -6.472 44 HB2 LEU 10 1HB LEU 10 1.094 5.687 -5.928 45 HB3 LEU 10 2HB LEU 10 -0.525 6.114 -5.327 46 HG LEU 10 HG LEU 10 0.515 6.654 -8.135 47 HD11 LEU 10 1HD1 LEU 10 -1.101 4.865 -8.831 48 HD12 LEU 10 2HD1 LEU 10 0.135 4.224 -7.723 49 HD13 LEU 10 3HD1 LEU 10 -1.501 4.582 -7.121 50 HD21 LEU 10 3HD2 LEU 10 -1.108 8.298 -7.400 51 HD22 LEU 10 1HD2 LEU 10 -1.830 7.244 -8.638 52 HD23 LEU 10 2HD2 LEU 10 -2.239 7.011 -6.921 53 H SER 11 HN SER 11 -0.854 7.881 -3.891 54 HA SER 11 HA SER 11 -2.628 9.825 -5.098 55 HB2 SER 11 1HB SER 11 -3.348 8.240 -3.524 56 HB3 SER 11 2HB SER 11 -2.359 9.018 -2.266 57 HG SER 11 HG SER 11 -3.573 10.935 -2.662 58 H THR 12 HN THR 12 -0.171 10.073 -2.488 59 HA THR 12 HA THR 12 -0.521 12.804 -1.873 60 HB THR 12 HB THR 12 2.061 11.184 -1.871 61 HG1 THR 12 HG1 THR 12 0.364 10.362 -0.524 62 HG21 THR 12 3HG2 THR 12 1.330 13.771 -0.442 63 HG22 THR 12 1HG2 THR 12 2.842 12.857 -0.230 64 HG23 THR 12 2HG2 THR 12 2.475 13.620 -1.796 65 H LEU 13 HN LEU 13 1.477 11.334 -4.413 66 HA LEU 13 HA LEU 13 2.466 13.961 -5.283 67 HB2 LEU 13 1HB LEU 13 2.551 11.230 -6.382 68 HB3 LEU 13 2HB LEU 13 3.449 12.532 -7.195 69 HG LEU 13 HG LEU 13 3.947 11.413 -4.410 70 HD11 LEU 13 1HD1 LEU 13 6.170 10.771 -5.380 71 HD12 LEU 13 2HD1 LEU 13 4.832 10.014 -6.274 72 HD13 LEU 13 3HD1 LEU 13 5.661 11.438 -6.949 73 HD21 LEU 13 3HD2 LEU 13 4.267 13.817 -4.412 74 HD22 LEU 13 1HD2 LEU 13 5.841 12.995 -4.296 75 HD23 LEU 13 2HD2 LEU 13 5.319 13.704 -5.843 76 H GLU 14 HN GLU 14 0.010 11.638 -6.313 77 HA GLU 14 HA GLU 14 -0.759 12.901 -8.744 78 HB2 GLU 14 1HB GLU 14 -1.569 10.716 -7.973 79 HB3 GLU 14 2HB GLU 14 -2.488 11.526 -6.680 80 HG2 GLU 14 1HG GLU 14 -3.877 12.693 -8.471 81 HG3 GLU 14 2HG GLU 14 -2.840 11.834 -9.634 82 H GLU 15 HN GLU 15 -1.294 13.838 -5.422 83 HA GLU 15 HA GLU 15 -3.485 15.678 -6.103 84 HB2 GLU 15 1HB GLU 15 -1.882 15.190 -3.592 85 HB3 GLU 15 2HB GLU 15 -3.189 16.391 -3.726 86 HG2 GLU 15 1HG GLU 15 -4.874 14.634 -3.980 87 HG3 GLU 15 2HG GLU 15 -3.553 13.508 -4.366 88 H LEU 16 HN LEU 16 -0.221 15.787 -6.602 89 HA LEU 16 HA LEU 16 0.206 18.623 -6.098 90 HB2 LEU 16 1HB LEU 16 1.431 16.621 -7.879 91 HB3 LEU 16 2HB LEU 16 2.173 18.231 -7.732 92 HG LEU 16 HG LEU 16 1.853 16.193 -5.494 93 HD11 LEU 16 1HD1 LEU 16 4.356 16.053 -5.602 94 HD12 LEU 16 2HD1 LEU 16 3.613 15.566 -7.145 95 HD13 LEU 16 3HD1 LEU 16 4.344 17.180 -6.979 96 HD21 LEU 16 3HD2 LEU 16 1.685 18.469 -4.675 97 HD22 LEU 16 1HD2 LEU 16 3.232 17.753 -4.164 98 HD23 LEU 16 2HD2 LEU 16 3.190 18.913 -5.514 99 H VAL 17 HN VAL 17 0.463 20.277 -7.656 100 HA VAL 17 HA VAL 17 -1.371 19.989 -10.015 101 HB VAL 17 HB VAL 17 -1.185 22.432 -10.188 102 HG11 VAL 17 1HG1 VAL 17 -2.318 23.052 -8.080 103 HG12 VAL 17 2HG1 VAL 17 -2.925 21.498 -8.700 104 HG13 VAL 17 3HG1 VAL 17 -1.777 21.526 -7.340 105 HG21 VAL 17 3HG2 VAL 17 1.104 22.695 -9.442 106 HG22 VAL 17 1HG2 VAL 17 0.010 23.743 -8.509 107 HG23 VAL 17 2HG2 VAL 17 0.636 22.242 -7.784 108 HA PRO 18 HA PRO 18 1.487 19.632 -13.151 109 HB2 PRO 18 1HB PRO 18 0.478 22.296 -14.259 110 HB3 PRO 18 2HB PRO 18 0.660 20.752 -15.100 111 HG2 PRO 18 1HG PRO 18 -1.771 21.550 -14.363 112 HG3 PRO 18 2HG PRO 18 -1.325 19.851 -14.165 113 HD2 PRO 18 1HD PRO 18 -1.533 22.022 -12.052 114 HD3 PRO 18 2HD PRO 18 -1.926 20.302 -11.923 115 H TYR 19 HN TYR 19 1.328 22.771 -11.573 116 HA TYR 19 HA TYR 19 3.984 23.568 -12.507 117 HB2 TYR 19 1HB TYR 19 2.152 24.614 -10.343 118 HB3 TYR 19 2HB TYR 19 3.723 25.336 -10.766 119 HD1 TYR 19 HD2 TYR 19 4.038 26.290 -13.080 120 HD2 TYR 19 HD1 TYR 19 0.210 25.098 -11.628 121 HE1 TYR 19 HE2 TYR 19 2.960 27.624 -14.860 122 HE2 TYR 19 HE1 TYR 19 -0.888 26.429 -13.406 123 HH TYR 19 HH TYR 19 0.994 28.296 -15.794 124 H ASP 20 HN ASP 20 2.677 21.847 -9.753 125 HA ASP 20 HA ASP 20 5.270 22.024 -8.318 126 HB2 ASP 20 1HB ASP 20 2.573 20.770 -7.526 127 HB3 ASP 20 2HB ASP 20 4.150 20.646 -6.708 128 H PHE 21 HN PHE 21 3.560 19.883 -10.431 129 HA PHE 21 HA PHE 21 5.155 17.529 -9.918 130 HB2 PHE 21 1HB PHE 21 3.512 18.551 -12.238 131 HB3 PHE 21 2HB PHE 21 4.584 17.151 -12.458 132 HD1 PHE 21 HD2 PHE 21 4.356 15.421 -10.368 133 HD2 PHE 21 HD1 PHE 21 1.342 18.058 -11.856 134 HE1 PHE 21 HE2 PHE 21 2.606 13.934 -9.452 135 HE2 PHE 21 HE1 PHE 21 -0.410 16.574 -10.938 136 HZ PHE 21 HZ PHE 21 0.222 14.513 -9.737 137 H GLU 22 HN GLU 22 5.616 20.368 -12.003 138 HA GLU 22 HA GLU 22 8.162 19.497 -13.059 139 HB2 GLU 22 1HB GLU 22 6.924 22.224 -12.672 140 HB3 GLU 22 2HB GLU 22 8.488 21.943 -13.476 141 HG2 GLU 22 1HG GLU 22 7.322 20.625 -15.273 142 HG3 GLU 22 2HG GLU 22 5.849 20.806 -14.294 143 H LYS 23 HN LYS 23 7.302 21.629 -10.328 144 HA LYS 23 HA LYS 23 9.990 22.110 -9.477 145 HB2 LYS 23 1HB LYS 23 7.375 22.031 -7.970 146 HB3 LYS 23 2HB LYS 23 8.922 22.540 -7.253 147 HG2 LYS 23 1HG LYS 23 9.078 24.383 -8.867 148 HG3 LYS 23 2HG LYS 23 7.547 23.868 -9.614 149 HD2 LYS 23 1HD LYS 23 6.391 24.250 -7.454 150 HD3 LYS 23 2HD LYS 23 7.923 24.827 -6.756 151 HE2 LYS 23 1HE LYS 23 8.005 26.639 -8.403 152 HE3 LYS 23 2HE LYS 23 6.493 26.055 -9.134 153 HZ1 LYS 23 3HZ LYS 23 6.788 27.058 -6.375 154 HZ2 LYS 23 1HZ LYS 23 6.103 27.885 -7.628 155 HZ3 LYS 23 2HZ LYS 23 5.385 26.517 -7.052 156 H PHE 24 HN PHE 24 7.763 19.453 -8.824 157 HA PHE 24 HA PHE 24 9.332 18.249 -6.725 158 HB2 PHE 24 1HB PHE 24 6.928 17.701 -7.167 159 HB3 PHE 24 2HB PHE 24 7.417 16.906 -8.680 160 HD1 PHE 24 HD1 PHE 24 7.737 16.786 -4.996 161 HD2 PHE 24 HD2 PHE 24 8.207 14.717 -8.704 162 HE1 PHE 24 HE1 PHE 24 8.088 14.670 -3.767 163 HE2 PHE 24 HE2 PHE 24 8.557 12.598 -7.478 164 HZ PHE 24 HZ PHE 24 8.498 12.575 -5.009 165 H LYS 25 HN LYS 25 9.163 17.602 -10.232 166 HA LYS 25 HA LYS 25 11.184 15.511 -10.071 167 HB2 LYS 25 1HB LYS 25 10.997 15.360 -12.395 168 HB3 LYS 25 2HB LYS 25 9.359 15.700 -11.788 169 HG2 LYS 25 1HG LYS 25 9.655 18.086 -12.404 170 HG3 LYS 25 2HG LYS 25 11.255 17.692 -13.077 171 HD2 LYS 25 1HD LYS 25 10.077 16.014 -14.577 172 HD3 LYS 25 2HD LYS 25 8.543 16.732 -14.033 173 HE2 LYS 25 1HE LYS 25 9.307 18.938 -14.842 174 HE3 LYS 25 2HE LYS 25 10.812 18.189 -15.425 175 HZ1 LYS 25 3HZ LYS 25 8.094 17.532 -16.365 176 HZ2 LYS 25 1HZ LYS 25 9.201 18.437 -17.188 177 HZ3 LYS 25 2HZ LYS 25 9.489 16.837 -16.905 178 H PHE 26 HN PHE 26 11.259 18.961 -10.371 179 HA PHE 26 HA PHE 26 13.994 19.141 -11.331 180 HB2 PHE 26 1HB PHE 26 12.211 21.066 -9.783 181 HB3 PHE 26 2HB PHE 26 13.851 21.468 -10.340 182 HD1 PHE 26 HD1 PHE 26 12.992 19.484 -12.867 183 HD2 PHE 26 HD2 PHE 26 11.727 23.176 -11.128 184 HE1 PHE 26 HE1 PHE 26 12.078 20.197 -15.051 185 HE2 PHE 26 HE2 PHE 26 10.810 23.892 -13.309 186 HZ PHE 26 HZ PHE 26 10.988 22.402 -15.271 187 H LYS 27 HN LYS 27 12.514 18.599 -8.206 188 HA LYS 27 HA LYS 27 15.089 18.948 -6.797 189 HB2 LYS 27 1HB LYS 27 12.372 17.976 -5.899 190 HB3 LYS 27 2HB LYS 27 13.792 18.158 -4.841 191 HG2 LYS 27 1HG LYS 27 12.448 20.407 -6.379 192 HG3 LYS 27 2HG LYS 27 12.199 20.056 -4.653 193 HD2 LYS 27 1HD LYS 27 14.622 20.400 -4.257 194 HD3 LYS 27 2HD LYS 27 14.826 20.815 -5.975 195 HE2 LYS 27 1HE LYS 27 13.244 22.691 -5.693 196 HE3 LYS 27 2HE LYS 27 13.097 22.291 -3.966 197 HZ1 LYS 27 3HZ LYS 27 15.580 23.115 -5.330 198 HZ2 LYS 27 1HZ LYS 27 14.670 24.067 -4.337 199 HZ3 LYS 27 2HZ LYS 27 15.445 22.743 -3.728 200 H LEU 28 HN LEU 28 13.208 16.387 -8.231 201 HA LEU 28 HA LEU 28 14.645 14.185 -7.059 202 HB2 LEU 28 1HB LEU 28 13.297 14.671 -9.626 203 HB3 LEU 28 2HB LEU 28 13.911 13.035 -9.292 204 HG LEU 28 HG LEU 28 11.738 14.534 -7.780 205 HD11 LEU 28 1HD1 LEU 28 10.294 12.633 -8.552 206 HD12 LEU 28 2HD1 LEU 28 11.004 13.507 -9.929 207 HD13 LEU 28 3HD1 LEU 28 11.688 11.947 -9.417 208 HD21 LEU 28 3HD2 LEU 28 13.122 13.289 -6.227 209 HD22 LEU 28 1HD2 LEU 28 11.534 12.502 -6.390 210 HD23 LEU 28 2HD2 LEU 28 12.957 11.818 -7.214 211 H GLN 29 HN GLN 29 15.326 16.321 -9.787 212 HA GLN 29 HA GLN 29 17.728 14.858 -10.568 213 HB2 GLN 29 1HB GLN 29 16.753 17.664 -11.143 214 HB3 GLN 29 2HB GLN 29 18.212 16.934 -11.853 215 HG2 GLN 29 1HG GLN 29 16.549 15.139 -13.008 216 HG3 GLN 29 2HG GLN 29 15.445 16.116 -12.012 217 HE21 GLN 29 2HE2 GLN 29 14.467 17.804 -12.943 218 HE22 GLN 29 1HE2 GLN 29 14.922 18.518 -14.455 219 H ASN 30 HN ASN 30 16.944 17.182 -8.143 220 HA ASN 30 HA ASN 30 19.846 17.746 -7.690 221 HB2 ASN 30 1HB ASN 30 17.440 19.235 -6.392 222 HB3 ASN 30 2HB ASN 30 19.207 19.195 -6.169 223 HD21 ASN 30 2HD2 ASN 30 17.172 21.242 -7.129 224 HD22 ASN 30 1HD2 ASN 30 17.865 21.862 -8.590 225 H THR 31 HN THR 31 18.100 15.251 -7.041 226 HA THR 31 HA THR 31 18.289 15.109 -4.119 227 HB THR 31 HB THR 31 17.764 12.969 -6.222 228 HG1 THR 31 HG1 THR 31 16.190 14.786 -5.686 229 HG21 THR 31 3HG2 THR 31 17.518 12.864 -3.190 230 HG22 THR 31 1HG2 THR 31 17.020 11.582 -4.318 231 HG23 THR 31 2HG2 THR 31 18.740 12.012 -4.163 232 H SER 32 HN SER 32 19.936 14.596 -2.919 233 HA SER 32 HA SER 32 22.489 13.598 -4.008 234 HB2 SER 32 1HB SER 32 22.533 15.095 -2.252 235 HB3 SER 32 2HB SER 32 21.539 14.022 -1.241 236 HG SER 32 HG SER 32 23.780 13.817 -0.817 237 H VAL 33 HN VAL 33 23.158 11.537 -4.147 238 HA VAL 33 HA VAL 33 21.291 9.387 -3.149 239 HB VAL 33 HB VAL 33 22.952 9.409 -5.704 240 HG11 VAL 33 1HG1 VAL 33 21.771 7.287 -6.173 241 HG12 VAL 33 2HG1 VAL 33 22.720 7.173 -4.673 242 HG13 VAL 33 3HG1 VAL 33 20.955 7.393 -4.595 243 HG21 VAL 33 3HG2 VAL 33 21.060 10.909 -5.899 244 HG22 VAL 33 1HG2 VAL 33 20.812 9.446 -6.882 245 HG23 VAL 33 2HG2 VAL 33 19.962 9.629 -5.330 246 H GLN 34 HN GLN 34 22.035 7.971 -1.843 247 HA GLN 34 HA GLN 34 24.943 7.921 -1.294 248 HB2 GLN 34 1HB GLN 34 22.661 6.375 -0.046 249 HB3 GLN 34 2HB GLN 34 24.338 6.447 0.542 250 HG2 GLN 34 1HG GLN 34 22.326 8.856 0.699 251 HG3 GLN 34 2HG GLN 34 23.023 7.658 1.815 252 HE21 GLN 34 2HE2 GLN 34 23.344 10.734 0.439 253 HE22 GLN 34 1HE2 GLN 34 24.973 11.066 0.924 254 H LYS 35 HN LYS 35 26.037 5.843 -0.972 255 HA LYS 35 HA LYS 35 25.993 4.376 -3.450 256 HB2 LYS 35 1HB LYS 35 27.305 3.837 -0.785 257 HB3 LYS 35 2HB LYS 35 27.557 2.845 -2.240 258 HG2 LYS 35 1HG LYS 35 28.482 4.793 -3.418 259 HG3 LYS 35 2HG LYS 35 28.216 5.798 -1.972 260 HD2 LYS 35 1HD LYS 35 29.757 4.376 -0.691 261 HD3 LYS 35 2HD LYS 35 30.014 3.354 -2.124 262 HE2 LYS 35 1HE LYS 35 30.947 5.269 -3.337 263 HE3 LYS 35 2HE LYS 35 30.669 6.310 -1.922 264 HZ1 LYS 35 3HZ LYS 35 32.465 3.971 -2.003 265 HZ2 LYS 35 1HZ LYS 35 32.944 5.550 -2.034 266 HZ3 LYS 35 2HZ LYS 35 32.208 4.936 -0.690 267 H GLU 36 HN GLU 36 24.319 3.969 -0.440 268 HA GLU 36 HA GLU 36 23.724 1.150 -0.753 269 HB2 GLU 36 1HB GLU 36 22.385 3.375 0.785 270 HB3 GLU 36 2HB GLU 36 21.880 1.669 0.853 271 HG2 GLU 36 1HG GLU 36 24.131 1.061 1.824 272 HG3 GLU 36 2HG GLU 36 24.564 2.768 1.575 273 H HIS 37 HN HIS 37 22.367 4.078 -2.072 274 HA HIS 37 HA HIS 37 20.038 2.498 -3.106 275 HB2 HIS 37 1HB HIS 37 20.252 5.522 -2.772 276 HB3 HIS 37 2HB HIS 37 18.806 4.589 -3.223 277 HD1 HIS 37 HD1 HIS 37 17.644 3.205 -1.345 278 HD2 HIS 37 HD2 HIS 37 20.788 5.632 0.063 279 HE1 HIS 37 HE1 HIS 37 17.332 3.375 1.072 280 H SER 38 HN SER 38 19.172 3.193 -5.195 281 HA SER 38 HA SER 38 21.404 3.729 -7.158 282 HB2 SER 38 1HB SER 38 18.755 2.464 -7.513 283 HB3 SER 38 2HB SER 38 19.933 2.849 -8.789 284 HG SER 38 HG SER 38 20.122 0.699 -8.024 285 H ARG 39 HN ARG 39 21.204 5.322 -8.691 286 HA ARG 39 HA ARG 39 19.307 7.509 -8.034 287 HB2 ARG 39 1HB ARG 39 21.611 8.074 -8.276 288 HB3 ARG 39 2HB ARG 39 21.606 7.438 -9.939 289 HG2 ARG 39 1HG ARG 39 20.030 9.154 -10.630 290 HG3 ARG 39 2HG ARG 39 19.908 9.753 -8.957 291 HD2 ARG 39 1HD ARG 39 22.238 10.402 -9.025 292 HD3 ARG 39 2HD ARG 39 22.351 9.814 -10.700 293 HE ARG 39 HE ARG 39 21.163 11.880 -11.388 294 HH11 ARG 39 1HH1 ARG 39 21.191 11.593 -7.913 295 HH12 ARG 39 2HH1 ARG 39 20.690 13.265 -7.764 296 HH21 ARG 39 1HH2 ARG 39 20.580 13.794 -11.235 297 HH22 ARG 39 2HH2 ARG 39 20.340 14.522 -9.659 298 H ILE 40 HN ILE 40 17.553 7.995 -9.095 299 HA ILE 40 HA ILE 40 16.694 6.453 -11.423 300 HB ILE 40 HB ILE 40 15.610 9.047 -10.230 301 HG12 ILE 40 1HG1 ILE 40 14.599 6.237 -9.902 302 HG13 ILE 40 2HG1 ILE 40 15.629 7.086 -8.728 303 HG21 ILE 40 1HG2 ILE 40 13.561 8.500 -11.501 304 HG22 ILE 40 2HG2 ILE 40 14.950 8.722 -12.591 305 HG23 ILE 40 3HG2 ILE 40 14.376 7.083 -12.204 306 HD11 ILE 40 3HD1 ILE 40 12.858 7.958 -9.620 307 HD12 ILE 40 1HD1 ILE 40 13.258 7.189 -8.068 308 HD13 ILE 40 2HD1 ILE 40 13.890 8.809 -8.446 309 HA PRO 41 HA PRO 41 18.916 8.578 -14.574 310 HB2 PRO 41 1HB PRO 41 16.598 7.406 -16.169 311 HB3 PRO 41 2HB PRO 41 18.331 7.318 -16.514 312 HG2 PRO 41 1HG PRO 41 17.082 5.169 -15.553 313 HG3 PRO 41 2HG PRO 41 18.694 5.574 -14.952 314 HD2 PRO 41 1HD PRO 41 15.999 6.007 -13.608 315 HD3 PRO 41 2HD PRO 41 17.536 5.519 -12.883 316 H ARG 42 HN ARG 42 18.817 10.530 -15.291 317 HA ARG 42 HA ARG 42 16.609 12.206 -14.480 318 HB2 ARG 42 1HB ARG 42 18.986 12.750 -16.194 319 HB3 ARG 42 2HB ARG 42 17.751 13.957 -15.768 320 HG2 ARG 42 1HG ARG 42 18.269 13.663 -13.390 321 HG3 ARG 42 2HG ARG 42 19.489 12.434 -13.802 322 HD2 ARG 42 1HD ARG 42 20.565 14.481 -13.294 323 HD3 ARG 42 2HD ARG 42 20.732 14.145 -15.034 324 HE ARG 42 HE ARG 42 18.556 16.068 -14.529 325 HH11 ARG 42 1HH1 ARG 42 22.023 15.809 -14.792 326 HH12 ARG 42 2HH1 ARG 42 22.116 17.484 -15.297 327 HH21 ARG 42 1HH2 ARG 42 18.645 17.990 -15.099 328 HH22 ARG 42 2HH2 ARG 42 20.190 18.730 -15.472 329 H SER 43 HN SER 43 17.336 10.464 -17.405 330 HA SER 43 HA SER 43 15.511 11.761 -19.233 331 HB2 SER 43 1HB SER 43 15.626 9.908 -20.521 332 HB3 SER 43 2HB SER 43 17.240 10.206 -19.835 333 HG SER 43 HG SER 43 16.896 8.526 -18.398 334 H GLN 44 HN GLN 44 15.080 9.541 -16.519 335 HA GLN 44 HA GLN 44 12.245 9.056 -17.282 336 HB2 GLN 44 1HB GLN 44 13.881 7.989 -14.970 337 HB3 GLN 44 2HB GLN 44 12.245 7.472 -15.443 338 HG2 GLN 44 1HG GLN 44 14.871 6.722 -16.969 339 HG3 GLN 44 2HG GLN 44 13.546 5.925 -16.091 340 HE21 GLN 44 2HE2 GLN 44 14.675 7.155 -19.102 341 HE22 GLN 44 1HE2 GLN 44 13.256 6.816 -20.038 342 H ILE 45 HN ILE 45 14.193 10.862 -15.026 343 HA ILE 45 HA ILE 45 12.019 11.555 -13.218 344 HB ILE 45 HB ILE 45 14.682 12.902 -13.851 345 HG12 ILE 45 1HG1 ILE 45 13.809 11.380 -11.411 346 HG13 ILE 45 2HG1 ILE 45 14.709 10.675 -12.773 347 HG21 ILE 45 1HG2 ILE 45 14.270 14.266 -11.832 348 HG22 ILE 45 2HG2 ILE 45 13.029 14.566 -13.071 349 HG23 ILE 45 3HG2 ILE 45 12.655 13.537 -11.669 350 HD11 ILE 45 3HD1 ILE 45 15.663 12.952 -11.002 351 HD12 ILE 45 1HD1 ILE 45 16.220 11.264 -10.919 352 HD13 ILE 45 2HD1 ILE 45 16.563 12.245 -12.365 353 H GLN 46 HN GLN 46 13.403 13.151 -16.072 354 HA GLN 46 HA GLN 46 11.680 15.467 -15.788 355 HB2 GLN 46 1HB GLN 46 13.293 14.370 -18.098 356 HB3 GLN 46 2HB GLN 46 12.397 15.907 -18.147 357 HG2 GLN 46 1HG GLN 46 14.038 16.728 -16.155 358 HG3 GLN 46 2HG GLN 46 14.543 15.041 -16.415 359 HE21 GLN 46 2HE2 GLN 46 16.430 16.993 -16.504 360 HE22 GLN 46 1HE2 GLN 46 16.963 17.251 -18.133 361 H ARG 47 HN ARG 47 11.227 12.310 -17.065 362 HA ARG 47 HA ARG 47 8.711 13.228 -18.419 363 HB2 ARG 47 1HB ARG 47 10.312 10.755 -18.902 364 HB3 ARG 47 2HB ARG 47 8.736 11.148 -19.627 365 HG2 ARG 47 1HG ARG 47 11.215 12.861 -19.950 366 HG3 ARG 47 2HG ARG 47 10.740 11.584 -21.098 367 HD2 ARG 47 1HD ARG 47 8.611 12.770 -21.437 368 HD3 ARG 47 2HD ARG 47 9.232 14.084 -20.412 369 HE ARG 47 HE ARG 47 11.058 13.756 -22.639 370 HH11 ARG 47 1HH1 ARG 47 7.770 14.775 -22.080 371 HH12 ARG 47 2HH1 ARG 47 7.861 15.847 -23.463 372 HH21 ARG 47 1HH2 ARG 47 11.175 14.974 -24.230 373 HH22 ARG 47 2HH2 ARG 47 9.802 15.961 -24.691 374 H ALA 48 HN ALA 48 9.551 12.341 -15.505 375 HA ALA 48 HA ALA 48 8.144 9.901 -15.012 376 HB1 ALA 48 3HB ALA 48 8.789 12.187 -13.119 377 HB2 ALA 48 1HB ALA 48 8.277 10.552 -12.640 378 HB3 ALA 48 2HB ALA 48 9.833 10.790 -13.471 379 H ARG 49 HN ARG 49 6.078 9.482 -15.174 380 HA ARG 49 HA ARG 49 4.015 11.535 -14.975 381 HB2 ARG 49 1HB ARG 49 3.850 8.557 -14.991 382 HB3 ARG 49 2HB ARG 49 2.458 9.661 -14.917 383 HG2 ARG 49 1HG ARG 49 3.174 10.647 -17.083 384 HG3 ARG 49 2HG ARG 49 4.485 9.445 -17.164 385 HD2 ARG 49 1HD ARG 49 2.761 8.694 -18.548 386 HD3 ARG 49 2HD ARG 49 2.735 7.683 -17.086 387 HE ARG 49 HE ARG 49 0.701 9.793 -16.902 388 HH11 ARG 49 1HH1 ARG 49 1.339 6.731 -18.442 389 HH12 ARG 49 2HH1 ARG 49 -0.380 6.402 -18.517 390 HH21 ARG 49 1HH2 ARG 49 -1.272 9.436 -16.987 391 HH22 ARG 49 2HH2 ARG 49 -1.871 7.945 -17.688 392 HA PRO 50 HA PRO 50 3.154 11.953 -10.740 393 HB2 PRO 50 1HB PRO 50 0.352 10.922 -11.389 394 HB3 PRO 50 2HB PRO 50 0.810 12.373 -10.487 395 HG2 PRO 50 1HG PRO 50 -0.047 12.621 -12.995 396 HG3 PRO 50 2HG PRO 50 1.323 13.599 -12.452 397 HD2 PRO 50 1HD PRO 50 1.332 11.122 -14.210 398 HD3 PRO 50 2HD PRO 50 2.365 12.554 -14.302 399 H VAL 51 HN VAL 51 1.927 8.985 -12.256 400 HA VAL 51 HA VAL 51 2.127 7.496 -9.707 401 HB VAL 51 HB VAL 51 1.643 6.572 -12.570 402 HG11 VAL 51 1HG1 VAL 51 0.955 4.442 -11.520 403 HG12 VAL 51 2HG1 VAL 51 2.660 4.811 -11.165 404 HG13 VAL 51 3HG1 VAL 51 1.413 5.081 -9.924 405 HG21 VAL 51 3HG2 VAL 51 -0.158 7.964 -11.740 406 HG22 VAL 51 1HG2 VAL 51 -0.672 6.265 -11.853 407 HG23 VAL 51 2HG2 VAL 51 -0.273 6.970 -10.268 408 H LYS 52 HN LYS 52 4.036 7.866 -12.656 409 HA LYS 52 HA LYS 52 5.801 5.659 -12.089 410 HB2 LYS 52 1HB LYS 52 6.093 8.143 -13.778 411 HB3 LYS 52 2HB LYS 52 7.322 6.859 -13.688 412 HG2 LYS 52 1HG LYS 52 5.681 5.233 -14.551 413 HG3 LYS 52 2HG LYS 52 4.462 6.526 -14.655 414 HD2 LYS 52 1HD LYS 52 5.851 7.735 -16.269 415 HD3 LYS 52 2HD LYS 52 7.112 6.485 -16.139 416 HE2 LYS 52 1HE LYS 52 5.529 4.805 -16.995 417 HE3 LYS 52 2HE LYS 52 4.276 6.061 -17.136 418 HZ1 LYS 52 3HZ LYS 52 6.839 6.023 -18.599 419 HZ2 LYS 52 1HZ LYS 52 5.364 5.649 -19.237 420 HZ3 LYS 52 2HZ LYS 52 5.677 7.187 -18.729 421 H MET 53 HN MET 53 5.712 8.984 -11.015 422 HA MET 53 HA MET 53 8.386 9.208 -10.044 423 HB2 MET 53 1HB MET 53 5.768 10.352 -9.086 424 HB3 MET 53 2HB MET 53 7.345 10.777 -8.379 425 HG2 MET 53 1HG MET 53 8.093 11.683 -10.507 426 HG3 MET 53 2HG MET 53 6.577 11.174 -11.285 427 HE1 MET 53 3HE MET 53 6.336 13.686 -12.232 428 HE2 MET 53 1HE MET 53 6.345 15.130 -11.192 429 HE3 MET 53 2HE MET 53 7.828 14.164 -11.387 430 H ALA 54 HN ALA 54 5.448 8.043 -8.381 431 HA ALA 54 HA ALA 54 6.834 7.359 -5.963 432 HB1 ALA 54 3HB ALA 54 4.239 6.266 -7.104 433 HB2 ALA 54 1HB ALA 54 4.808 6.060 -5.431 434 HB3 ALA 54 2HB ALA 54 4.402 7.682 -6.039 435 H THR 55 HN THR 55 6.046 5.521 -8.893 436 HA THR 55 HA THR 55 6.898 2.965 -7.883 437 HB THR 55 HB THR 55 6.802 4.009 -10.745 438 HG1 THR 55 HG1 THR 55 4.802 2.821 -10.733 439 HG21 THR 55 3HG2 THR 55 6.971 1.169 -9.663 440 HG22 THR 55 1HG2 THR 55 6.776 1.620 -11.373 441 HG23 THR 55 2HG2 THR 55 8.274 2.039 -10.507 442 H LEU 56 HN LEU 56 8.608 5.471 -9.749 443 HA LEU 56 HA LEU 56 11.024 3.926 -10.031 444 HB2 LEU 56 1HB LEU 56 10.353 6.789 -10.092 445 HB3 LEU 56 2HB LEU 56 12.014 6.302 -10.502 446 HG LEU 56 HG LEU 56 9.496 5.461 -11.990 447 HD11 LEU 56 1HD1 LEU 56 10.382 6.922 -13.828 448 HD12 LEU 56 2HD1 LEU 56 10.065 7.862 -12.351 449 HD13 LEU 56 3HD1 LEU 56 11.732 7.403 -12.774 450 HD21 LEU 56 3HD2 LEU 56 11.223 3.760 -12.059 451 HD22 LEU 56 1HD2 LEU 56 11.064 4.527 -13.657 452 HD23 LEU 56 2HD2 LEU 56 12.424 4.959 -12.593 453 H LEU 57 HN LEU 57 9.913 6.247 -7.605 454 HA LEU 57 HA LEU 57 12.420 6.445 -6.212 455 HB2 LEU 57 1HB LEU 57 9.589 6.763 -5.500 456 HB3 LEU 57 2HB LEU 57 10.803 7.129 -4.253 457 HG LEU 57 HG LEU 57 10.562 8.519 -6.949 458 HD11 LEU 57 1HD1 LEU 57 9.784 10.489 -5.604 459 HD12 LEU 57 2HD1 LEU 57 8.685 9.102 -5.415 460 HD13 LEU 57 3HD1 LEU 57 9.856 9.494 -4.133 461 HD21 LEU 57 3HD2 LEU 57 12.844 8.443 -6.135 462 HD22 LEU 57 1HD2 LEU 57 12.214 10.103 -6.020 463 HD23 LEU 57 2HD2 LEU 57 12.334 9.093 -4.558 464 H VAL 58 HN VAL 58 9.608 4.311 -5.763 465 HA VAL 58 HA VAL 58 10.764 2.866 -3.513 466 HB VAL 58 HB VAL 58 8.592 2.129 -5.518 467 HG11 VAL 58 1HG1 VAL 58 8.031 0.308 -3.942 468 HG12 VAL 58 2HG1 VAL 58 9.675 0.107 -4.595 469 HG13 VAL 58 3HG1 VAL 58 9.442 0.735 -2.945 470 HG21 VAL 58 3HG2 VAL 58 8.009 4.006 -4.100 471 HG22 VAL 58 1HG2 VAL 58 7.069 2.561 -3.656 472 HG23 VAL 58 2HG2 VAL 58 8.446 3.070 -2.649 473 H THR 59 HN THR 59 10.961 2.495 -7.005 474 HA THR 59 HA THR 59 12.133 -0.161 -6.871 475 HB THR 59 HB THR 59 12.171 1.928 -9.090 476 HG1 THR 59 HG1 THR 59 10.511 0.535 -9.935 477 HG21 THR 59 3HG2 THR 59 12.850 -1.039 -9.139 478 HG22 THR 59 1HG2 THR 59 12.771 0.034 -10.557 479 HG23 THR 59 2HG2 THR 59 14.013 0.296 -9.308 480 H TYR 60 HN TYR 60 13.492 3.117 -7.238 481 HA TYR 60 HA TYR 60 16.174 1.926 -7.631 482 HB2 TYR 60 1HB TYR 60 14.973 4.665 -7.887 483 HB3 TYR 60 2HB TYR 60 16.738 4.450 -7.784 484 HD1 TYR 60 HD1 TYR 60 13.732 3.797 -9.834 485 HD2 TYR 60 HD2 TYR 60 17.981 3.500 -9.627 486 HE1 TYR 60 HE1 TYR 60 13.807 3.299 -12.259 487 HE2 TYR 60 HE2 TYR 60 18.074 3.001 -12.046 488 HH TYR 60 HH TYR 60 16.883 2.709 -13.965 489 H TYR 61 HN TYR 61 14.375 3.734 -5.213 490 HA TYR 61 HA TYR 61 16.853 3.855 -3.528 491 HB2 TYR 61 1HB TYR 61 14.257 5.396 -3.332 492 HB3 TYR 61 2HB TYR 61 15.656 5.557 -2.243 493 HD1 TYR 61 HD2 TYR 61 17.868 6.347 -3.263 494 HD2 TYR 61 HD1 TYR 61 14.143 6.674 -5.312 495 HE1 TYR 61 HE2 TYR 61 18.854 8.046 -4.761 496 HE2 TYR 61 HE1 TYR 61 15.115 8.380 -6.823 497 HH TYR 61 HH TYR 61 18.244 9.808 -6.285 498 H GLY 62 HN GLY 62 13.357 3.155 -3.359 499 HA2 GLY 62 1HA GLY 62 12.943 0.886 -2.277 500 HA3 GLY 62 2HA GLY 62 13.949 1.494 -0.941 501 H GLU 63 HN GLU 63 11.467 0.618 -0.331 502 HA GLU 63 HA GLU 63 9.339 2.522 -0.638 503 HB2 GLU 63 1HB GLU 63 9.841 0.333 1.380 504 HB3 GLU 63 2HB GLU 63 8.346 1.296 1.311 505 HG2 GLU 63 1HG GLU 63 7.863 0.380 -0.979 506 HG3 GLU 63 2HG GLU 63 9.467 -0.383 -0.893 507 H GLU 64 HN GLU 64 11.739 2.044 1.938 508 HA GLU 64 HA GLU 64 10.478 3.981 3.706 509 HB2 GLU 64 1HB GLU 64 13.208 2.691 3.664 510 HB3 GLU 64 2HB GLU 64 12.648 3.804 4.937 511 HG2 GLU 64 1HG GLU 64 10.834 2.165 5.555 512 HG3 GLU 64 2HG GLU 64 11.380 1.212 4.157 513 H TYR 65 HN TYR 65 13.360 4.063 1.607 514 HA TYR 65 HA TYR 65 14.046 6.781 2.312 515 HB2 TYR 65 1HB TYR 65 15.539 4.996 1.300 516 HB3 TYR 65 2HB TYR 65 14.728 5.339 -0.247 517 HD1 TYR 65 HD1 TYR 65 16.992 6.697 2.340 518 HD2 TYR 65 HD2 TYR 65 15.193 7.375 -1.466 519 HE1 TYR 65 HE1 TYR 65 18.553 8.580 1.946 520 HE2 TYR 65 HE2 TYR 65 16.743 9.256 -1.876 521 HH TYR 65 HH TYR 65 18.481 10.486 -1.068 522 H ALA 66 HN ALA 66 12.020 5.354 -0.198 523 HA ALA 66 HA ALA 66 11.661 7.692 -1.772 524 HB1 ALA 66 3HB ALA 66 9.708 5.431 -1.218 525 HB2 ALA 66 1HB ALA 66 9.581 6.615 -2.540 526 HB3 ALA 66 2HB ALA 66 10.938 5.464 -2.504 527 H VAL 67 HN VAL 67 9.919 6.545 1.108 528 HA VAL 67 HA VAL 67 7.982 8.724 1.113 529 HB VAL 67 HB VAL 67 8.945 6.836 3.300 530 HG11 VAL 67 1HG1 VAL 67 6.979 7.624 4.575 531 HG12 VAL 67 2HG1 VAL 67 8.116 8.957 4.262 532 HG13 VAL 67 3HG1 VAL 67 6.626 8.811 3.298 533 HG21 VAL 67 3HG2 VAL 67 7.767 5.721 1.500 534 HG22 VAL 67 1HG2 VAL 67 6.777 5.754 2.979 535 HG23 VAL 67 2HG2 VAL 67 6.418 6.875 1.644 536 H GLN 68 HN GLN 68 11.074 8.218 2.790 537 HA GLN 68 HA GLN 68 10.900 10.690 4.272 538 HB2 GLN 68 1HB GLN 68 13.224 8.938 3.455 539 HB3 GLN 68 2HB GLN 68 13.383 10.372 4.496 540 HG2 GLN 68 1HG GLN 68 11.785 9.078 6.249 541 HG3 GLN 68 2HG GLN 68 11.820 7.967 4.860 542 HE21 GLN 68 2HE2 GLN 68 12.513 7.284 7.536 543 HE22 GLN 68 1HE2 GLN 68 14.193 6.863 7.560 544 H LEU 69 HN LEU 69 12.471 9.818 1.201 545 HA LEU 69 HA LEU 69 13.601 12.420 0.731 546 HB2 LEU 69 1HB LEU 69 14.366 10.560 -0.335 547 HB3 LEU 69 2HB LEU 69 12.850 10.128 -1.160 548 HG LEU 69 HG LEU 69 13.010 12.310 -2.411 549 HD11 LEU 69 1HD1 LEU 69 15.263 13.412 -2.487 550 HD12 LEU 69 2HD1 LEU 69 14.572 13.462 -0.848 551 HD13 LEU 69 3HD1 LEU 69 15.842 12.278 -1.243 552 HD21 LEU 69 3HD2 LEU 69 13.633 10.211 -3.454 553 HD22 LEU 69 1HD2 LEU 69 14.719 11.509 -4.007 554 HD23 LEU 69 2HD2 LEU 69 15.281 10.337 -2.790 555 H THR 70 HN THR 70 10.583 10.929 -0.466 556 HA THR 70 HA THR 70 9.700 13.190 -1.957 557 HB THR 70 HB THR 70 8.056 11.068 -0.513 558 HG1 THR 70 HG1 THR 70 9.487 10.276 -2.151 559 HG21 THR 70 3HG2 THR 70 7.296 13.002 -2.737 560 HG22 THR 70 1HG2 THR 70 6.264 11.706 -2.088 561 HG23 THR 70 2HG2 THR 70 6.726 13.080 -1.053 562 H LEU 71 HN LEU 71 9.125 12.321 1.445 563 HA LEU 71 HA LEU 71 7.359 14.423 2.105 564 HB2 LEU 71 1HB LEU 71 7.989 12.545 3.418 565 HB3 LEU 71 2HB LEU 71 9.565 13.233 3.875 566 HG LEU 71 HG LEU 71 6.887 14.548 4.456 567 HD11 LEU 71 1HD1 LEU 71 7.247 13.799 6.823 568 HD12 LEU 71 2HD1 LEU 71 7.109 12.411 5.720 569 HD13 LEU 71 3HD1 LEU 71 8.708 12.925 6.308 570 HD21 LEU 71 3HD2 LEU 71 8.748 16.094 4.312 571 HD22 LEU 71 1HD2 LEU 71 8.209 15.950 6.002 572 HD23 LEU 71 2HD2 LEU 71 9.689 15.118 5.464 573 H GLN 72 HN GLN 72 10.925 14.433 2.159 574 HA GLN 72 HA GLN 72 11.121 17.151 3.090 575 HB2 GLN 72 1HB GLN 72 13.018 15.359 1.564 576 HB3 GLN 72 2HB GLN 72 13.445 16.989 2.141 577 HG2 GLN 72 1HG GLN 72 13.047 16.046 4.635 578 HG3 GLN 72 2HG GLN 72 12.555 14.670 3.620 579 HE21 GLN 72 2HE2 GLN 72 14.506 14.574 5.691 580 HE22 GLN 72 1HE2 GLN 72 16.035 14.204 4.966 581 H VAL 73 HN VAL 73 11.033 15.715 -0.146 582 HA VAL 73 HA VAL 73 11.543 18.216 -1.553 583 HB VAL 73 HB VAL 73 10.213 15.620 -2.433 584 HG11 VAL 73 1HG1 VAL 73 10.525 16.479 -4.730 585 HG12 VAL 73 2HG1 VAL 73 9.443 17.536 -3.792 586 HG13 VAL 73 3HG1 VAL 73 11.133 18.017 -4.072 587 HG21 VAL 73 3HG2 VAL 73 12.548 15.350 -1.844 588 HG22 VAL 73 1HG2 VAL 73 12.320 15.216 -3.604 589 HG23 VAL 73 2HG2 VAL 73 12.992 16.708 -2.904 590 H LEU 74 HN LEU 74 8.600 16.568 -0.487 591 HA LEU 74 HA LEU 74 6.736 18.258 -1.802 592 HB2 LEU 74 1HB LEU 74 6.791 16.807 0.748 593 HB3 LEU 74 2HB LEU 74 5.276 17.631 0.312 594 HG LEU 74 HG LEU 74 6.630 15.448 -1.319 595 HD11 LEU 74 1HD1 LEU 74 4.697 14.023 -0.590 596 HD12 LEU 74 2HD1 LEU 74 5.657 14.572 0.803 597 HD13 LEU 74 3HD1 LEU 74 4.110 15.364 0.420 598 HD21 LEU 74 3HD2 LEU 74 5.388 17.014 -2.691 599 HD22 LEU 74 1HD2 LEU 74 4.536 15.452 -2.630 600 HD23 LEU 74 2HD2 LEU 74 3.951 16.825 -1.658 601 H ARG 75 HN ARG 75 8.251 18.633 1.406 602 HA ARG 75 HA ARG 75 7.098 21.209 1.949 603 HB2 ARG 75 1HB ARG 75 8.064 19.857 3.662 604 HB3 ARG 75 2HB ARG 75 9.670 20.046 2.921 605 HG2 ARG 75 1HG ARG 75 9.650 22.427 3.372 606 HG3 ARG 75 2HG ARG 75 7.981 22.329 3.987 607 HD2 ARG 75 1HD ARG 75 8.716 21.008 5.845 608 HD3 ARG 75 2HD ARG 75 10.379 21.005 5.214 609 HE ARG 75 HE ARG 75 9.570 23.756 5.768 610 HH11 ARG 75 1HH1 ARG 75 10.424 20.821 7.447 611 HH12 ARG 75 2HH1 ARG 75 11.033 21.762 8.794 612 HH21 ARG 75 1HH2 ARG 75 10.257 24.847 7.306 613 HH22 ARG 75 2HH2 ARG 75 10.938 24.058 8.715 614 H ALA 76 HN ALA 76 9.975 20.207 0.161 615 HA ALA 76 HA ALA 76 11.088 22.839 -0.089 616 HB1 ALA 76 3HB ALA 76 11.404 20.408 -1.884 617 HB2 ALA 76 1HB ALA 76 12.432 21.859 -1.908 618 HB3 ALA 76 2HB ALA 76 12.411 20.808 -0.472 619 H ILE 77 HN ILE 77 8.513 21.190 -1.743 620 HA ILE 77 HA ILE 77 8.440 23.355 -3.827 621 HB ILE 77 HB ILE 77 6.974 21.834 -5.094 622 HG12 ILE 77 1HG1 ILE 77 7.419 19.827 -2.903 623 HG13 ILE 77 2HG1 ILE 77 5.961 20.831 -3.072 624 HG21 ILE 77 1HG2 ILE 77 8.600 20.043 -5.600 625 HG22 ILE 77 2HG2 ILE 77 9.415 21.613 -5.420 626 HG23 ILE 77 3HG2 ILE 77 9.483 20.420 -4.102 627 HD11 ILE 77 3HD1 ILE 77 6.981 18.820 -5.110 628 HD12 ILE 77 1HD1 ILE 77 5.604 18.581 -4.009 629 HD13 ILE 77 2HD1 ILE 77 5.522 19.825 -5.279 630 H ASN 78 HN ASN 78 7.480 23.384 -0.944 631 HA ASN 78 HA ASN 78 5.840 24.703 0.049 632 HB2 ASN 78 1HB ASN 78 4.905 25.477 -2.817 633 HB3 ASN 78 2HB ASN 78 4.422 25.879 -1.151 634 HD21 ASN 78 2HD2 ASN 78 5.625 27.422 -3.447 635 HD22 ASN 78 1HD2 ASN 78 6.986 28.237 -2.749 636 H GLN 79 HN GLN 79 5.473 21.902 -0.280 637 HA GLN 79 HA GLN 79 2.503 21.965 0.086 638 HB2 GLN 79 1HB GLN 79 4.179 19.759 -1.133 639 HB3 GLN 79 2HB GLN 79 2.470 19.604 -0.662 640 HG2 GLN 79 1HG GLN 79 3.441 21.442 -3.024 641 HG3 GLN 79 2HG GLN 79 2.742 19.813 -2.866 642 HE21 GLN 79 2HE2 GLN 79 1.804 22.447 -4.088 643 HE22 GLN 79 1HE2 GLN 79 0.220 22.679 -3.424 644 H ARG 80 HN ARG 80 3.426 22.543 2.264 645 HA ARG 80 HA ARG 80 4.660 20.485 3.862 646 HB2 ARG 80 1HB ARG 80 3.102 22.918 4.582 647 HB3 ARG 80 2HB ARG 80 3.755 21.772 5.776 648 HG2 ARG 80 1HG ARG 80 6.028 22.188 4.924 649 HG3 ARG 80 2HG ARG 80 5.368 23.346 3.744 650 HD2 ARG 80 1HD ARG 80 4.624 24.767 5.540 651 HD3 ARG 80 2HD ARG 80 5.247 23.602 6.732 652 HE ARG 80 HE ARG 80 7.491 24.486 5.141 653 HH11 ARG 80 1HH1 ARG 80 5.212 25.867 7.390 654 HH12 ARG 80 2HH1 ARG 80 6.415 27.034 7.901 655 HH21 ARG 80 1HH2 ARG 80 8.877 25.821 5.710 656 HH22 ARG 80 2HH2 ARG 80 8.505 27.010 6.944 657 H LEU 81 HN LEU 81 1.327 21.194 3.005 658 HA LEU 81 HA LEU 81 0.069 19.511 4.949 659 HB2 LEU 81 1HB LEU 81 -1.074 21.078 3.744 660 HB3 LEU 81 2HB LEU 81 -0.793 20.371 2.137 661 HG LEU 81 HG LEU 81 -2.074 18.341 2.893 662 HD11 LEU 81 1HD1 LEU 81 -3.562 18.614 4.894 663 HD12 LEU 81 2HD1 LEU 81 -1.844 18.713 5.348 664 HD13 LEU 81 3HD1 LEU 81 -2.816 20.198 5.213 665 HD21 LEU 81 3HD2 LEU 81 -3.105 20.021 1.482 666 HD22 LEU 81 1HD2 LEU 81 -4.299 19.384 2.638 667 HD23 LEU 81 2HD2 LEU 81 -3.561 20.982 2.909 668 H LEU 82 HN LEU 82 1.070 18.798 1.596 669 HA LEU 82 HA LEU 82 0.312 16.024 1.736 670 HB2 LEU 82 1HB LEU 82 2.203 17.598 0.128 671 HB3 LEU 82 2HB LEU 82 1.969 15.884 -0.287 672 HG LEU 82 HG LEU 82 -0.147 18.070 -0.358 673 HD11 LEU 82 1HD1 LEU 82 -0.119 17.646 -2.831 674 HD12 LEU 82 2HD1 LEU 82 1.476 18.179 -2.248 675 HD13 LEU 82 3HD1 LEU 82 1.184 16.458 -2.597 676 HD21 LEU 82 3HD2 LEU 82 -1.098 15.948 0.329 677 HD22 LEU 82 1HD2 LEU 82 -1.620 16.339 -1.326 678 HD23 LEU 82 2HD2 LEU 82 -0.343 15.126 -1.057 679 H ALA 83 HN ALA 83 3.289 17.748 2.520 680 HA ALA 83 HA ALA 83 4.914 15.439 2.946 681 HB1 ALA 83 3HB ALA 83 5.013 18.156 4.303 682 HB2 ALA 83 1HB ALA 83 6.304 16.932 4.329 683 HB3 ALA 83 2HB ALA 83 5.843 17.705 2.794 684 H GLU 84 HN GLU 84 2.788 17.261 5.149 685 HA GLU 84 HA GLU 84 3.304 15.575 7.440 686 HB2 GLU 84 1HB GLU 84 2.382 17.820 7.629 687 HB3 GLU 84 2HB GLU 84 0.932 17.309 6.730 688 HG2 GLU 84 1HG GLU 84 0.399 15.698 8.650 689 HG3 GLU 84 2HG GLU 84 1.873 16.351 9.400 690 H GLU 85 HN GLU 85 0.837 15.520 4.885 691 HA GLU 85 HA GLU 85 -0.691 13.368 6.045 692 HB2 GLU 85 1HB GLU 85 -0.403 14.422 3.233 693 HB3 GLU 85 2HB GLU 85 -1.500 13.089 3.672 694 HG2 GLU 85 1HG GLU 85 -1.696 15.982 4.710 695 HG3 GLU 85 2HG GLU 85 -2.679 15.132 3.497 696 H LEU 86 HN LEU 86 2.079 13.450 3.853 697 HA LEU 86 HA LEU 86 2.120 10.604 3.356 698 HB2 LEU 86 1HB LEU 86 3.186 12.140 2.013 699 HB3 LEU 86 2HB LEU 86 4.334 12.725 3.240 700 HG LEU 86 HG LEU 86 5.291 10.411 3.356 701 HD11 LEU 86 1HD1 LEU 86 4.769 8.848 1.465 702 HD12 LEU 86 2HD1 LEU 86 3.319 9.194 2.436 703 HD13 LEU 86 3HD1 LEU 86 3.554 10.001 0.867 704 HD21 LEU 86 3HD2 LEU 86 6.387 12.143 2.060 705 HD22 LEU 86 1HD2 LEU 86 6.559 10.572 1.241 706 HD23 LEU 86 2HD2 LEU 86 5.377 11.764 0.645 707 H HIS 87 HN HIS 87 3.742 12.657 5.775 708 HA HIS 87 HA HIS 87 5.059 10.551 7.175 709 HB2 HIS 87 1HB HIS 87 5.517 12.945 7.624 710 HB3 HIS 87 2HB HIS 87 3.874 13.136 8.281 711 HD1 HIS 87 HD1 HIS 87 7.075 11.195 8.986 712 HD2 HIS 87 HD2 HIS 87 3.740 12.719 11.064 713 HE1 HIS 87 HE1 HIS 87 7.477 10.718 11.349 714 H ARG 88 HN ARG 88 1.777 11.872 7.548 715 HA ARG 88 HA ARG 88 1.082 10.149 9.760 716 HB2 ARG 88 1HB ARG 88 -0.611 11.646 7.814 717 HB3 ARG 88 2HB ARG 88 -1.235 10.687 9.175 718 HG2 ARG 88 1HG ARG 88 -0.020 12.120 10.753 719 HG3 ARG 88 2HG ARG 88 0.624 13.075 9.394 720 HD2 ARG 88 1HD ARG 88 -1.684 13.687 8.809 721 HD3 ARG 88 2HD ARG 88 -2.234 12.845 10.277 722 HE ARG 88 HE ARG 88 -0.971 15.533 10.279 723 HH11 ARG 88 1HH1 ARG 88 -1.775 12.734 12.199 724 HH12 ARG 88 2HH1 ARG 88 -1.634 13.691 13.661 725 HH21 ARG 88 1HH2 ARG 88 -0.816 16.643 11.943 726 HH22 ARG 88 2HH2 ARG 88 -1.089 15.920 13.517 727 H ALA 89 HN ALA 89 0.870 9.803 6.253 728 HA ALA 89 HA ALA 89 -0.594 7.337 6.283 729 HB1 ALA 89 3HB ALA 89 1.414 8.390 4.261 730 HB2 ALA 89 1HB ALA 89 0.282 7.043 3.998 731 HB3 ALA 89 2HB ALA 89 -0.340 8.691 4.253 732 H ALA 90 HN ALA 90 2.867 8.085 6.469 733 HA ALA 90 HA ALA 90 3.750 5.353 6.424 734 HB1 ALA 90 3HB ALA 90 5.037 7.803 7.677 735 HB2 ALA 90 1HB ALA 90 5.841 6.247 7.375 736 HB3 ALA 90 2HB ALA 90 5.271 7.234 6.008 737 H ILE 91 HN ILE 91 2.659 7.498 9.011 738 HA ILE 91 HA ILE 91 3.256 5.686 11.192 739 HB ILE 91 HB ILE 91 1.190 7.907 10.875 740 HG12 ILE 91 1HG1 ILE 91 3.716 7.833 12.500 741 HG13 ILE 91 2HG1 ILE 91 3.602 8.490 10.851 742 HG21 ILE 91 1HG2 ILE 91 0.895 7.746 13.324 743 HG22 ILE 91 2HG2 ILE 91 0.412 6.234 12.521 744 HG23 ILE 91 3HG2 ILE 91 1.977 6.334 13.362 745 HD11 ILE 91 3HD1 ILE 91 2.063 9.489 13.273 746 HD12 ILE 91 1HD1 ILE 91 3.471 10.284 12.534 747 HD13 ILE 91 2HD1 ILE 91 1.948 10.146 11.623 748 H GLN 92 HN GLN 92 0.356 6.132 9.193 749 HA GLN 92 HA GLN 92 -1.129 4.059 10.561 750 HB2 GLN 92 1HB GLN 92 -1.374 5.305 7.818 751 HB3 GLN 92 2HB GLN 92 -2.513 4.102 8.465 752 HG2 GLN 92 1HG GLN 92 -3.102 5.907 10.378 753 HG3 GLN 92 2HG GLN 92 -1.773 6.699 9.499 754 HE21 GLN 92 2HE2 GLN 92 -4.286 7.890 9.960 755 HE22 GLN 92 1HE2 GLN 92 -5.084 8.095 8.436 756 H LEU 93 HN LEU 93 1.094 4.080 7.829 757 HA LEU 93 HA LEU 93 0.586 1.489 6.809 758 HB2 LEU 93 1HB LEU 93 1.944 3.115 5.833 759 HB3 LEU 93 2HB LEU 93 3.254 2.989 7.029 760 HG LEU 93 HG LEU 93 3.452 0.540 6.357 761 HD11 LEU 93 1HD1 LEU 93 2.583 -0.035 4.075 762 HD12 LEU 93 2HD1 LEU 93 1.255 0.367 5.190 763 HD13 LEU 93 3HD1 LEU 93 1.801 1.561 3.988 764 HD21 LEU 93 3HD2 LEU 93 5.081 2.203 5.681 765 HD22 LEU 93 1HD2 LEU 93 4.816 1.042 4.359 766 HD23 LEU 93 2HD2 LEU 93 4.077 2.662 4.284 Start of MODEL 8 1 H THR 4 1H THR 4 -0.377 -0.603 1.028 2 HA THR 4 HA THR 4 1.970 -0.186 2.605 3 HB THR 4 HB THR 4 3.243 -0.613 0.586 4 HG1 THR 4 HG1 THR 4 0.774 -0.092 -0.757 5 HG21 THR 4 3HG2 THR 4 0.654 -2.215 0.550 6 HG22 THR 4 1HG2 THR 4 2.192 -2.707 -0.196 7 HG23 THR 4 2HG2 THR 4 2.071 -2.553 1.572 8 HA PRO 5 HA PRO 5 3.163 3.997 2.261 9 HB2 PRO 5 1HB PRO 5 5.760 3.036 0.999 10 HB3 PRO 5 2HB PRO 5 5.539 4.072 2.416 11 HG2 PRO 5 1HG PRO 5 6.275 1.532 2.757 12 HG3 PRO 5 2HG PRO 5 5.084 2.245 3.853 13 HD2 PRO 5 1HD PRO 5 4.624 0.344 1.517 14 HD3 PRO 5 2HD PRO 5 3.836 0.367 3.100 15 H SER 6 HN SER 6 3.516 1.913 -0.538 16 HA SER 6 HA SER 6 3.968 4.052 -2.489 17 HB2 SER 6 1HB SER 6 3.797 2.483 -4.096 18 HB3 SER 6 2HB SER 6 4.696 1.769 -2.738 19 HG SER 6 HG SER 6 2.718 0.742 -2.134 20 H ASP 7 HN ASP 7 1.181 2.657 -0.885 21 HA ASP 7 HA ASP 7 -0.747 3.602 -2.890 22 HB2 ASP 7 1HB ASP 7 -1.208 2.541 -0.036 23 HB3 ASP 7 2HB ASP 7 -2.366 3.050 -1.289 24 H HIS 8 HN HIS 8 0.523 4.721 0.215 25 HA HIS 8 HA HIS 8 -1.155 7.132 0.164 26 HB2 HIS 8 1HB HIS 8 1.246 6.330 1.869 27 HB3 HIS 8 2HB HIS 8 0.322 7.837 2.075 28 HD1 HIS 8 HD1 HIS 8 -2.288 7.489 2.681 29 HD2 HIS 8 HD2 HIS 8 0.163 4.110 3.257 30 HE1 HIS 8 HE1 HIS 8 -3.497 6.036 4.229 31 H LEU 9 HN LEU 9 1.986 6.160 -1.006 32 HA LEU 9 HA LEU 9 3.048 8.782 -1.488 33 HB2 LEU 9 1HB LEU 9 4.390 6.969 -1.511 34 HB3 LEU 9 2HB LEU 9 3.557 6.061 -2.794 35 HG LEU 9 HG LEU 9 4.186 7.885 -4.398 36 HD11 LEU 9 1HD1 LEU 9 6.032 9.437 -3.709 37 HD12 LEU 9 2HD1 LEU 9 4.578 9.681 -2.713 38 HD13 LEU 9 3HD1 LEU 9 5.961 8.767 -2.063 39 HD21 LEU 9 3HD2 LEU 9 5.444 5.815 -4.311 40 HD22 LEU 9 1HD2 LEU 9 6.540 7.177 -4.638 41 HD23 LEU 9 2HD2 LEU 9 6.472 6.460 -3.010 42 H LEU 10 HN LEU 10 1.287 6.569 -3.676 43 HA LEU 10 HA LEU 10 1.249 8.459 -5.850 44 HB2 LEU 10 1HB LEU 10 -0.359 6.114 -5.100 45 HB3 LEU 10 2HB LEU 10 -0.646 6.869 -6.684 46 HG LEU 10 HG LEU 10 1.951 5.587 -5.747 47 HD11 LEU 10 1HD1 LEU 10 1.444 3.875 -7.511 48 HD12 LEU 10 2HD1 LEU 10 0.166 3.927 -6.275 49 HD13 LEU 10 3HD1 LEU 10 -0.091 4.706 -7.854 50 HD21 LEU 10 3HD2 LEU 10 2.358 7.469 -7.220 51 HD22 LEU 10 1HD2 LEU 10 2.721 5.946 -8.066 52 HD23 LEU 10 2HD2 LEU 10 1.210 6.820 -8.415 53 H SER 11 HN SER 11 -0.950 7.823 -3.171 54 HA SER 11 HA SER 11 -3.175 9.463 -4.018 55 HB2 SER 11 1HB SER 11 -3.378 7.865 -2.333 56 HB3 SER 11 2HB SER 11 -2.246 8.765 -1.299 57 HG SER 11 HG SER 11 -4.439 9.241 -0.839 58 H THR 12 HN THR 12 -0.226 10.144 -2.095 59 HA THR 12 HA THR 12 -0.877 12.895 -1.547 60 HB THR 12 HB THR 12 1.820 11.481 -1.664 61 HG1 THR 12 HG1 THR 12 0.080 12.157 0.506 62 HG21 THR 12 3HG2 THR 12 1.048 14.176 -0.477 63 HG22 THR 12 1HG2 THR 12 2.639 13.393 -0.332 64 HG23 THR 12 2HG2 THR 12 2.052 13.928 -1.925 65 H LEU 13 HN LEU 13 1.019 11.357 -4.129 66 HA LEU 13 HA LEU 13 1.732 13.911 -5.338 67 HB2 LEU 13 1HB LEU 13 1.729 11.098 -6.203 68 HB3 LEU 13 2HB LEU 13 2.397 12.328 -7.301 69 HG LEU 13 HG LEU 13 3.448 11.589 -4.542 70 HD11 LEU 13 1HD1 LEU 13 5.465 10.814 -5.818 71 HD12 LEU 13 2HD1 LEU 13 4.005 9.931 -6.319 72 HD13 LEU 13 3HD1 LEU 13 4.648 11.240 -7.339 73 HD21 LEU 13 3HD2 LEU 13 3.689 13.966 -4.954 74 HD22 LEU 13 1HD2 LEU 13 5.282 13.172 -5.025 75 HD23 LEU 13 2HD2 LEU 13 4.453 13.646 -6.529 76 H GLU 14 HN GLU 14 -0.947 11.686 -5.618 77 HA GLU 14 HA GLU 14 -2.106 12.888 -7.982 78 HB2 GLU 14 1HB GLU 14 -2.762 10.697 -7.081 79 HB3 GLU 14 2HB GLU 14 -3.422 11.505 -5.639 80 HG2 GLU 14 1HG GLU 14 -5.136 12.657 -7.103 81 HG3 GLU 14 2HG GLU 14 -4.309 11.876 -8.470 82 H GLU 15 HN GLU 15 -2.364 13.578 -4.511 83 HA GLU 15 HA GLU 15 -4.280 15.739 -4.894 84 HB2 GLU 15 1HB GLU 15 -2.442 14.969 -2.627 85 HB3 GLU 15 2HB GLU 15 -3.569 16.346 -2.566 86 HG2 GLU 15 1HG GLU 15 -4.376 13.387 -2.841 87 HG3 GLU 15 2HG GLU 15 -4.458 14.470 -1.433 88 H LEU 16 HN LEU 16 -0.799 15.459 -4.981 89 HA LEU 16 HA LEU 16 -0.116 18.198 -4.624 90 HB2 LEU 16 1HB LEU 16 1.406 16.474 -4.598 91 HB3 LEU 16 2HB LEU 16 1.220 16.009 -6.305 92 HG LEU 16 HG LEU 16 2.063 18.269 -6.959 93 HD11 LEU 16 1HD1 LEU 16 3.239 19.630 -5.209 94 HD12 LEU 16 2HD1 LEU 16 1.508 19.456 -4.837 95 HD13 LEU 16 3HD1 LEU 16 2.708 18.468 -3.971 96 HD21 LEU 16 3HD2 LEU 16 3.555 16.358 -6.950 97 HD22 LEU 16 1HD2 LEU 16 4.436 17.818 -6.439 98 HD23 LEU 16 2HD2 LEU 16 3.922 16.616 -5.228 99 H VAL 17 HN VAL 17 -0.492 19.957 -5.695 100 HA VAL 17 HA VAL 17 -2.096 19.983 -8.100 101 HB VAL 17 HB VAL 17 -0.352 22.159 -6.870 102 HG11 VAL 17 1HG1 VAL 17 -1.751 23.703 -8.201 103 HG12 VAL 17 2HG1 VAL 17 -0.861 22.577 -9.252 104 HG13 VAL 17 3HG1 VAL 17 -2.591 22.314 -8.929 105 HG21 VAL 17 3HG2 VAL 17 -2.058 21.383 -5.334 106 HG22 VAL 17 1HG2 VAL 17 -2.443 23.012 -5.936 107 HG23 VAL 17 2HG2 VAL 17 -3.308 21.598 -6.583 108 HA PRO 18 HA PRO 18 0.699 18.809 -11.161 109 HB2 PRO 18 1HB PRO 18 -1.027 20.720 -12.817 110 HB3 PRO 18 2HB PRO 18 -0.519 19.073 -13.213 111 HG2 PRO 18 1HG PRO 18 -3.009 19.498 -12.370 112 HG3 PRO 18 2HG PRO 18 -2.127 18.083 -11.779 113 HD2 PRO 18 1HD PRO 18 -2.742 20.677 -10.337 114 HD3 PRO 18 2HD PRO 18 -2.624 19.040 -9.680 115 H TYR 19 HN TYR 19 -0.166 22.235 -10.819 116 HA TYR 19 HA TYR 19 2.039 23.348 -12.202 117 HB2 TYR 19 1HB TYR 19 0.218 24.697 -11.382 118 HB3 TYR 19 2HB TYR 19 0.616 24.270 -9.701 119 HD1 TYR 19 HD1 TYR 19 2.075 25.937 -12.721 120 HD2 TYR 19 HD2 TYR 19 2.031 25.668 -8.466 121 HE1 TYR 19 HE1 TYR 19 3.590 27.893 -12.589 122 HE2 TYR 19 HE2 TYR 19 3.542 27.618 -8.316 123 HH TYR 19 HH TYR 19 4.704 29.330 -11.228 124 H ASP 20 HN ASP 20 1.835 22.383 -8.770 125 HA ASP 20 HA ASP 20 4.723 22.893 -8.429 126 HB2 ASP 20 1HB ASP 20 2.559 21.858 -6.505 127 HB3 ASP 20 2HB ASP 20 4.322 21.902 -6.262 128 H PHE 21 HN PHE 21 2.710 20.296 -9.393 129 HA PHE 21 HA PHE 21 4.495 18.143 -8.588 130 HB2 PHE 21 1HB PHE 21 1.964 18.034 -9.274 131 HB3 PHE 21 2HB PHE 21 2.596 17.982 -10.935 132 HD1 PHE 21 HD1 PHE 21 5.109 16.477 -9.250 133 HD2 PHE 21 HD2 PHE 21 1.010 15.814 -10.252 134 HE1 PHE 21 HE1 PHE 21 5.455 14.037 -9.045 135 HE2 PHE 21 HE2 PHE 21 1.351 13.374 -10.046 136 HZ PHE 21 HZ PHE 21 3.575 12.486 -9.444 137 H GLU 22 HN GLU 22 4.226 20.234 -11.418 138 HA GLU 22 HA GLU 22 6.357 18.949 -12.900 139 HB2 GLU 22 1HB GLU 22 5.267 21.763 -12.868 140 HB3 GLU 22 2HB GLU 22 6.557 21.213 -13.965 141 HG2 GLU 22 1HG GLU 22 3.666 20.154 -13.930 142 HG3 GLU 22 2HG GLU 22 4.468 21.256 -15.072 143 H LYS 23 HN LYS 23 6.273 21.431 -10.380 144 HA LYS 23 HA LYS 23 9.139 21.918 -10.460 145 HB2 LYS 23 1HB LYS 23 7.044 22.385 -8.336 146 HB3 LYS 23 2HB LYS 23 8.741 22.907 -8.214 147 HG2 LYS 23 1HG LYS 23 8.440 24.330 -10.208 148 HG3 LYS 23 2HG LYS 23 6.738 23.820 -10.307 149 HD2 LYS 23 1HD LYS 23 6.348 24.767 -8.048 150 HD3 LYS 23 2HD LYS 23 8.037 25.328 -8.012 151 HE2 LYS 23 1HE LYS 23 7.614 26.709 -10.007 152 HE3 LYS 23 2HE LYS 23 5.923 26.158 -10.026 153 HZ1 LYS 23 3HZ LYS 23 7.200 27.696 -7.856 154 HZ2 LYS 23 1HZ LYS 23 6.147 28.303 -8.971 155 HZ3 LYS 23 2HZ LYS 23 5.632 27.185 -7.873 156 H PHE 24 HN PHE 24 7.059 19.597 -8.845 157 HA PHE 24 HA PHE 24 8.916 18.513 -6.993 158 HB2 PHE 24 1HB PHE 24 6.531 17.821 -7.125 159 HB3 PHE 24 2HB PHE 24 6.860 17.021 -8.678 160 HD1 PHE 24 HD2 PHE 24 8.113 14.970 -8.784 161 HD2 PHE 24 HD1 PHE 24 7.269 16.876 -5.055 162 HE1 PHE 24 HE2 PHE 24 8.706 12.888 -7.589 163 HE2 PHE 24 HE1 PHE 24 7.864 14.797 -3.856 164 HZ PHE 24 HZ PHE 24 8.582 12.804 -5.124 165 H LYS 25 HN LYS 25 8.398 17.589 -10.408 166 HA LYS 25 HA LYS 25 10.582 15.769 -10.585 167 HB2 LYS 25 1HB LYS 25 8.885 15.956 -12.298 168 HB3 LYS 25 2HB LYS 25 9.393 17.625 -12.650 169 HG2 LYS 25 1HG LYS 25 11.580 16.801 -13.420 170 HG3 LYS 25 2HG LYS 25 11.075 15.131 -13.066 171 HD2 LYS 25 1HD LYS 25 9.441 16.872 -14.906 172 HD3 LYS 25 2HD LYS 25 10.891 16.036 -15.510 173 HE2 LYS 25 1HE LYS 25 9.928 13.895 -14.602 174 HE3 LYS 25 2HE LYS 25 8.430 14.789 -14.254 175 HZ1 LYS 25 3HZ LYS 25 9.648 14.457 -16.921 176 HZ2 LYS 25 1HZ LYS 25 8.318 13.654 -16.367 177 HZ3 LYS 25 2HZ LYS 25 8.259 15.286 -16.598 178 H PHE 26 HN PHE 26 10.485 19.285 -11.157 179 HA PHE 26 HA PHE 26 13.182 19.579 -11.998 180 HB2 PHE 26 1HB PHE 26 11.497 21.392 -12.164 181 HB3 PHE 26 2HB PHE 26 11.476 21.530 -10.391 182 HD1 PHE 26 HD1 PHE 26 13.592 21.936 -13.400 183 HD2 PHE 26 HD2 PHE 26 13.050 22.808 -9.253 184 HE1 PHE 26 HE1 PHE 26 15.433 23.582 -13.508 185 HE2 PHE 26 HE2 PHE 26 14.889 24.457 -9.358 186 HZ PHE 26 HZ PHE 26 16.082 24.843 -11.486 187 H LYS 27 HN LYS 27 11.806 19.593 -8.717 188 HA LYS 27 HA LYS 27 14.427 20.176 -7.528 189 HB2 LYS 27 1HB LYS 27 11.733 19.444 -6.378 190 HB3 LYS 27 2HB LYS 27 13.185 19.752 -5.395 191 HG2 LYS 27 1HG LYS 27 11.886 21.746 -7.284 192 HG3 LYS 27 2HG LYS 27 11.668 21.717 -5.518 193 HD2 LYS 27 1HD LYS 27 14.112 22.026 -5.235 194 HD3 LYS 27 2HD LYS 27 14.287 22.122 -7.003 195 HE2 LYS 27 1HE LYS 27 12.841 24.096 -7.055 196 HE3 LYS 27 2HE LYS 27 12.613 23.989 -5.295 197 HZ1 LYS 27 3HZ LYS 27 15.180 24.472 -6.663 198 HZ2 LYS 27 1HZ LYS 27 14.284 25.612 -5.879 199 HZ3 LYS 27 2HZ LYS 27 14.969 24.373 -5.030 200 H LEU 28 HN LEU 28 12.452 17.344 -8.158 201 HA LEU 28 HA LEU 28 13.830 15.468 -6.528 202 HB2 LEU 28 1HB LEU 28 11.856 15.021 -7.613 203 HB3 LEU 28 2HB LEU 28 12.497 15.131 -9.269 204 HG LEU 28 HG LEU 28 14.015 13.194 -8.715 205 HD11 LEU 28 1HD1 LEU 28 13.366 11.777 -6.748 206 HD12 LEU 28 2HD1 LEU 28 13.895 13.395 -6.232 207 HD13 LEU 28 3HD1 LEU 28 12.160 12.999 -6.285 208 HD21 LEU 28 3HD2 LEU 28 12.000 12.884 -10.026 209 HD22 LEU 28 1HD2 LEU 28 12.255 11.479 -8.963 210 HD23 LEU 28 2HD2 LEU 28 11.029 12.701 -8.546 211 H GLN 29 HN GLN 29 14.634 16.736 -9.740 212 HA GLN 29 HA GLN 29 16.952 15.064 -10.115 213 HB2 GLN 29 1HB GLN 29 16.194 17.785 -11.195 214 HB3 GLN 29 2HB GLN 29 17.636 16.876 -11.706 215 HG2 GLN 29 1HG GLN 29 15.953 15.005 -12.649 216 HG3 GLN 29 2HG GLN 29 14.847 16.122 -11.818 217 HE21 GLN 29 2HE2 GLN 29 14.450 15.375 -14.460 218 HE22 GLN 29 1HE2 GLN 29 14.727 16.740 -15.491 219 H ASN 30 HN ASN 30 16.371 17.936 -8.248 220 HA ASN 30 HA ASN 30 19.313 18.310 -7.860 221 HB2 ASN 30 1HB ASN 30 17.090 20.334 -7.062 222 HB3 ASN 30 2HB ASN 30 18.849 20.176 -6.842 223 HD21 ASN 30 2HD2 ASN 30 16.323 21.167 -8.885 224 HD22 ASN 30 1HD2 ASN 30 17.279 21.622 -10.256 225 H THR 31 HN THR 31 17.228 16.315 -6.618 226 HA THR 31 HA THR 31 18.043 16.845 -3.778 227 HB THR 31 HB THR 31 15.677 15.243 -4.838 228 HG1 THR 31 HG1 THR 31 15.811 17.730 -3.427 229 HG21 THR 31 3HG2 THR 31 16.538 15.907 -1.995 230 HG22 THR 31 1HG2 THR 31 15.043 15.060 -2.457 231 HG23 THR 31 2HG2 THR 31 16.627 14.303 -2.759 232 H SER 32 HN SER 32 19.125 15.394 -2.647 233 HA SER 32 HA SER 32 20.481 13.199 -4.084 234 HB2 SER 32 1HB SER 32 21.709 12.883 -2.193 235 HB3 SER 32 2HB SER 32 21.605 14.623 -2.542 236 HG SER 32 HG SER 32 21.312 14.143 -0.322 237 H VAL 33 HN VAL 33 20.563 11.026 -3.166 238 HA VAL 33 HA VAL 33 17.952 10.146 -1.940 239 HB VAL 33 HB VAL 33 18.062 8.123 -3.325 240 HG11 VAL 33 1HG1 VAL 33 17.522 9.127 -5.518 241 HG12 VAL 33 2HG1 VAL 33 16.787 10.055 -4.190 242 HG13 VAL 33 3HG1 VAL 33 18.254 10.662 -4.996 243 HG21 VAL 33 3HG2 VAL 33 20.465 7.974 -3.594 244 HG22 VAL 33 1HG2 VAL 33 19.648 7.924 -5.174 245 HG23 VAL 33 2HG2 VAL 33 20.456 9.416 -4.638 246 H GLN 34 HN GLN 34 18.126 7.800 -1.233 247 HA GLN 34 HA GLN 34 20.027 7.615 0.876 248 HB2 GLN 34 1HB GLN 34 17.899 6.345 0.690 249 HB3 GLN 34 2HB GLN 34 18.640 5.367 -0.599 250 HG2 GLN 34 1HG GLN 34 19.034 3.956 1.515 251 HG3 GLN 34 2HG GLN 34 20.395 4.930 0.914 252 HE21 GLN 34 2HE2 GLN 34 21.298 4.693 3.057 253 HE22 GLN 34 1HE2 GLN 34 20.753 5.720 4.341 254 H LYS 35 HN LYS 35 22.024 6.904 1.093 255 HA LYS 35 HA LYS 35 23.626 6.935 -1.308 256 HB2 LYS 35 1HB LYS 35 24.269 6.227 1.557 257 HB3 LYS 35 2HB LYS 35 25.476 6.347 0.255 258 HG2 LYS 35 1HG LYS 35 24.920 8.719 -0.056 259 HG3 LYS 35 2HG LYS 35 23.692 8.604 1.227 260 HD2 LYS 35 1HD LYS 35 25.433 8.035 2.861 261 HD3 LYS 35 2HD LYS 35 26.668 8.114 1.582 262 HE2 LYS 35 1HE LYS 35 26.153 10.486 1.220 263 HE3 LYS 35 2HE LYS 35 24.903 10.412 2.483 264 HZ1 LYS 35 3HZ LYS 35 27.788 9.958 2.900 265 HZ2 LYS 35 1HZ LYS 35 26.962 11.321 3.322 266 HZ3 LYS 35 2HZ LYS 35 26.629 9.889 4.072 267 H GLU 36 HN GLU 36 21.989 4.423 0.349 268 HA GLU 36 HA GLU 36 23.681 2.206 -0.288 269 HB2 GLU 36 1HB GLU 36 20.688 2.445 0.033 270 HB3 GLU 36 2HB GLU 36 21.544 0.901 -0.194 271 HG2 GLU 36 1HG GLU 36 22.787 1.300 1.975 272 HG3 GLU 36 2HG GLU 36 21.946 2.867 2.021 273 H HIS 37 HN HIS 37 21.466 4.078 -2.238 274 HA HIS 37 HA HIS 37 22.112 2.281 -4.548 275 HB2 HIS 37 1HB HIS 37 19.445 3.655 -3.984 276 HB3 HIS 37 2HB HIS 37 19.843 2.700 -5.431 277 HD1 HIS 37 HD1 HIS 37 20.306 0.100 -5.005 278 HD2 HIS 37 HD2 HIS 37 18.496 2.122 -1.782 279 HE1 HIS 37 HE1 HIS 37 19.291 -1.629 -3.610 280 H SER 38 HN SER 38 22.449 3.192 -6.517 281 HA SER 38 HA SER 38 23.501 5.892 -6.660 282 HB2 SER 38 1HB SER 38 24.328 4.232 -8.033 283 HB3 SER 38 2HB SER 38 22.735 3.980 -8.781 284 HG SER 38 HG SER 38 22.844 6.153 -9.501 285 H ARG 39 HN ARG 39 22.577 7.772 -7.257 286 HA ARG 39 HA ARG 39 19.726 8.111 -7.153 287 HB2 ARG 39 1HB ARG 39 21.334 9.834 -6.583 288 HB3 ARG 39 2HB ARG 39 21.747 9.980 -8.307 289 HG2 ARG 39 1HG ARG 39 19.605 10.828 -8.857 290 HG3 ARG 39 2HG ARG 39 18.928 10.348 -7.281 291 HD2 ARG 39 1HD ARG 39 19.149 12.656 -7.219 292 HD3 ARG 39 2HD ARG 39 20.500 12.010 -6.257 293 HE ARG 39 HE ARG 39 21.682 12.570 -8.755 294 HH11 ARG 39 1HH1 ARG 39 19.713 14.473 -6.598 295 HH12 ARG 39 2HH1 ARG 39 20.535 15.930 -7.123 296 HH21 ARG 39 1HH2 ARG 39 22.626 14.229 -9.375 297 HH22 ARG 39 2HH2 ARG 39 22.195 15.792 -8.708 298 H ILE 40 HN ILE 40 18.165 8.063 -8.585 299 HA ILE 40 HA ILE 40 18.446 6.952 -11.190 300 HB ILE 40 HB ILE 40 16.344 8.882 -10.105 301 HG12 ILE 40 1HG1 ILE 40 16.250 5.895 -10.436 302 HG13 ILE 40 2HG1 ILE 40 16.605 6.746 -8.914 303 HG21 ILE 40 1HG2 ILE 40 14.942 8.083 -11.977 304 HG22 ILE 40 2HG2 ILE 40 16.408 8.894 -12.576 305 HG23 ILE 40 3HG2 ILE 40 16.307 7.117 -12.588 306 HD11 ILE 40 3HD1 ILE 40 14.028 6.957 -10.511 307 HD12 ILE 40 1HD1 ILE 40 14.248 6.033 -9.007 308 HD13 ILE 40 2HD1 ILE 40 14.382 7.808 -8.989 309 HA PRO 41 HA PRO 41 20.590 10.033 -13.438 310 HB2 PRO 41 1HB PRO 41 19.221 8.556 -15.725 311 HB3 PRO 41 2HB PRO 41 20.931 8.973 -15.548 312 HG2 PRO 41 1HG PRO 41 20.157 6.455 -15.154 313 HG3 PRO 41 2HG PRO 41 21.362 7.169 -14.074 314 HD2 PRO 41 1HD PRO 41 18.401 6.682 -13.564 315 HD3 PRO 41 2HD PRO 41 19.764 6.500 -12.452 316 H ARG 42 HN ARG 42 20.162 11.940 -14.247 317 HA ARG 42 HA ARG 42 17.484 12.965 -13.954 318 HB2 ARG 42 1HB ARG 42 19.951 14.130 -15.147 319 HB3 ARG 42 2HB ARG 42 18.385 14.973 -15.083 320 HG2 ARG 42 1HG ARG 42 18.389 14.877 -12.655 321 HG3 ARG 42 2HG ARG 42 19.893 13.923 -12.669 322 HD2 ARG 42 1HD ARG 42 21.131 15.762 -13.477 323 HD3 ARG 42 2HD ARG 42 19.651 16.714 -13.739 324 HE ARG 42 HE ARG 42 19.754 16.284 -10.927 325 HH11 ARG 42 1HH1 ARG 42 21.929 17.676 -13.271 326 HH12 ARG 42 2HH1 ARG 42 22.557 18.764 -12.050 327 HH21 ARG 42 1HH2 ARG 42 20.470 17.518 -9.516 328 HH22 ARG 42 2HH2 ARG 42 21.727 18.676 -9.908 329 H SER 43 HN SER 43 19.283 11.698 -16.687 330 HA SER 43 HA SER 43 17.530 12.542 -18.829 331 HB2 SER 43 1HB SER 43 18.493 10.918 -20.114 332 HB3 SER 43 2HB SER 43 19.740 11.735 -19.144 333 HG SER 43 HG SER 43 20.002 9.461 -19.192 334 H GLN 44 HN GLN 44 17.358 9.999 -16.379 335 HA GLN 44 HA GLN 44 15.064 8.686 -17.692 336 HB2 GLN 44 1HB GLN 44 16.345 8.329 -14.973 337 HB3 GLN 44 2HB GLN 44 15.016 7.339 -15.618 338 HG2 GLN 44 1HG GLN 44 17.959 7.263 -16.713 339 HG3 GLN 44 2HG GLN 44 16.881 6.223 -15.752 340 HE21 GLN 44 2HE2 GLN 44 18.100 6.816 -18.797 341 HE22 GLN 44 1HE2 GLN 44 16.899 6.006 -19.746 342 H ILE 45 HN ILE 45 15.660 10.851 -14.952 343 HA ILE 45 HA ILE 45 12.915 10.875 -14.021 344 HB ILE 45 HB ILE 45 15.191 12.886 -13.727 345 HG12 ILE 45 1HG1 ILE 45 14.016 10.996 -11.710 346 HG13 ILE 45 2HG1 ILE 45 15.445 10.639 -12.706 347 HG21 ILE 45 1HG2 ILE 45 13.807 13.918 -11.958 348 HG22 ILE 45 2HG2 ILE 45 12.998 14.010 -13.540 349 HG23 ILE 45 3HG2 ILE 45 12.479 12.799 -12.344 350 HD11 ILE 45 3HD1 ILE 45 15.185 12.928 -10.724 351 HD12 ILE 45 1HD1 ILE 45 16.097 11.424 -10.464 352 HD13 ILE 45 2HD1 ILE 45 16.614 12.572 -11.721 353 H GLN 46 HN GLN 46 14.676 12.887 -16.342 354 HA GLN 46 HA GLN 46 12.675 14.911 -16.540 355 HB2 GLN 46 1HB GLN 46 15.022 15.045 -17.374 356 HB3 GLN 46 2HB GLN 46 14.566 13.936 -18.689 357 HG2 GLN 46 1HG GLN 46 14.300 16.280 -19.733 358 HG3 GLN 46 2HG GLN 46 12.832 15.424 -19.208 359 HE21 GLN 46 2HE2 GLN 46 11.636 17.336 -19.047 360 HE22 GLN 46 1HE2 GLN 46 11.898 18.483 -17.776 361 H ARG 47 HN ARG 47 13.036 11.821 -18.215 362 HA ARG 47 HA ARG 47 10.695 12.481 -19.934 363 HB2 ARG 47 1HB ARG 47 12.648 10.229 -20.033 364 HB3 ARG 47 2HB ARG 47 11.208 10.386 -21.066 365 HG2 ARG 47 1HG ARG 47 12.093 12.502 -21.964 366 HG3 ARG 47 2HG ARG 47 13.539 12.324 -20.943 367 HD2 ARG 47 1HD ARG 47 14.190 10.365 -22.137 368 HD3 ARG 47 2HD ARG 47 12.693 10.416 -23.098 369 HE ARG 47 HE ARG 47 15.081 12.108 -23.641 370 HH11 ARG 47 1HH1 ARG 47 11.677 11.636 -24.235 371 HH12 ARG 47 2HH1 ARG 47 11.780 12.648 -25.662 372 HH21 ARG 47 1HH2 ARG 47 15.216 13.263 -25.278 373 HH22 ARG 47 2HH2 ARG 47 13.797 13.576 -26.258 374 H ALA 48 HN ALA 48 11.348 11.012 -16.980 375 HA ALA 48 HA ALA 48 9.425 8.877 -17.061 376 HB1 ALA 48 3HB ALA 48 10.462 10.489 -14.704 377 HB2 ALA 48 1HB ALA 48 9.566 8.956 -14.601 378 HB3 ALA 48 2HB ALA 48 11.180 8.996 -15.350 379 H ARG 49 HN ARG 49 7.317 8.743 -16.479 380 HA ARG 49 HA ARG 49 5.696 11.157 -16.630 381 HB2 ARG 49 1HB ARG 49 5.000 8.341 -15.940 382 HB3 ARG 49 2HB ARG 49 3.841 9.687 -16.027 383 HG2 ARG 49 1HG ARG 49 4.448 10.027 -18.402 384 HG3 ARG 49 2HG ARG 49 5.547 8.630 -18.303 385 HD2 ARG 49 1HD ARG 49 3.702 7.166 -17.889 386 HD3 ARG 49 2HD ARG 49 2.578 8.546 -17.871 387 HE ARG 49 HE ARG 49 3.815 8.418 -20.496 388 HH11 ARG 49 1HH1 ARG 49 1.590 6.579 -18.540 389 HH12 ARG 49 2HH1 ARG 49 0.788 6.000 -19.987 390 HH21 ARG 49 1HH2 ARG 49 2.912 7.757 -22.162 391 HH22 ARG 49 2HH2 ARG 49 1.541 6.671 -22.053 392 HA PRO 50 HA PRO 50 5.438 12.649 -12.579 393 HB2 PRO 50 1HB PRO 50 2.415 12.301 -12.796 394 HB3 PRO 50 2HB PRO 50 3.329 13.748 -12.349 395 HG2 PRO 50 1HG PRO 50 2.252 13.591 -14.779 396 HG3 PRO 50 2HG PRO 50 3.877 14.265 -14.596 397 HD2 PRO 50 1HD PRO 50 3.060 11.512 -15.597 398 HD3 PRO 50 2HD PRO 50 4.371 12.554 -16.161 399 H VAL 51 HN VAL 51 3.472 9.803 -13.316 400 HA VAL 51 HA VAL 51 3.649 8.975 -10.435 401 HB VAL 51 HB VAL 51 2.021 7.253 -11.037 402 HG11 VAL 51 1HG1 VAL 51 0.101 8.695 -11.624 403 HG12 VAL 51 2HG1 VAL 51 1.153 9.486 -10.428 404 HG13 VAL 51 3HG1 VAL 51 1.221 9.979 -12.136 405 HG21 VAL 51 3HG2 VAL 51 2.790 6.770 -13.283 406 HG22 VAL 51 1HG2 VAL 51 1.047 7.125 -13.274 407 HG23 VAL 51 2HG2 VAL 51 2.202 8.353 -13.846 408 H LYS 52 HN LYS 52 5.020 8.337 -13.534 409 HA LYS 52 HA LYS 52 6.049 5.705 -12.936 410 HB2 LYS 52 1HB LYS 52 5.927 6.660 -15.196 411 HB3 LYS 52 2HB LYS 52 7.143 7.876 -14.734 412 HG2 LYS 52 1HG LYS 52 8.820 6.147 -14.422 413 HG3 LYS 52 2HG LYS 52 7.615 4.876 -14.734 414 HD2 LYS 52 1HD LYS 52 7.307 5.724 -17.024 415 HD3 LYS 52 2HD LYS 52 8.506 7.002 -16.713 416 HE2 LYS 52 1HE LYS 52 10.242 5.330 -16.355 417 HE3 LYS 52 2HE LYS 52 9.055 4.022 -16.569 418 HZ1 LYS 52 3HZ LYS 52 9.839 5.980 -18.632 419 HZ2 LYS 52 1HZ LYS 52 10.326 4.405 -18.569 420 HZ3 LYS 52 2HZ LYS 52 8.738 4.767 -18.831 421 H MET 53 HN MET 53 7.221 8.978 -12.294 422 HA MET 53 HA MET 53 9.813 8.290 -11.329 423 HB2 MET 53 1HB MET 53 7.881 10.473 -10.569 424 HB3 MET 53 2HB MET 53 9.538 10.355 -9.931 425 HG2 MET 53 1HG MET 53 10.358 10.434 -12.311 426 HG3 MET 53 2HG MET 53 8.688 10.793 -12.807 427 HE1 MET 53 3HE MET 53 7.535 12.705 -10.677 428 HE2 MET 53 1HE MET 53 8.023 14.302 -11.294 429 HE3 MET 53 2HE MET 53 7.467 13.042 -12.424 430 H ALA 54 HN ALA 54 6.673 8.356 -9.668 431 HA ALA 54 HA ALA 54 7.702 7.594 -7.105 432 HB1 ALA 54 3HB ALA 54 4.973 7.084 -8.338 433 HB2 ALA 54 1HB ALA 54 5.382 6.925 -6.615 434 HB3 ALA 54 2HB ALA 54 5.449 8.519 -7.401 435 H THR 55 HN THR 55 6.507 5.686 -9.860 436 HA THR 55 HA THR 55 6.795 3.118 -8.613 437 HB THR 55 HB THR 55 7.014 3.894 -11.553 438 HG1 THR 55 HG1 THR 55 4.808 3.154 -11.544 439 HG21 THR 55 3HG2 THR 55 6.542 1.192 -10.232 440 HG22 THR 55 1HG2 THR 55 6.502 1.516 -11.980 441 HG23 THR 55 2HG2 THR 55 8.026 1.691 -11.077 442 H LEU 56 HN LEU 56 9.072 5.132 -10.439 443 HA LEU 56 HA LEU 56 11.166 3.157 -10.525 444 HB2 LEU 56 1HB LEU 56 11.073 6.096 -10.596 445 HB3 LEU 56 2HB LEU 56 12.629 5.287 -10.890 446 HG LEU 56 HG LEU 56 10.113 4.984 -12.576 447 HD11 LEU 56 1HD1 LEU 56 11.426 6.222 -14.320 448 HD12 LEU 56 2HD1 LEU 56 11.202 7.209 -12.856 449 HD13 LEU 56 3HD1 LEU 56 12.762 6.408 -13.159 450 HD21 LEU 56 3HD2 LEU 56 11.442 2.957 -12.539 451 HD22 LEU 56 1HD2 LEU 56 11.571 3.738 -14.133 452 HD23 LEU 56 2HD2 LEU 56 12.907 3.874 -12.963 453 H LEU 57 HN LEU 57 10.356 5.705 -8.200 454 HA LEU 57 HA LEU 57 12.691 5.310 -6.553 455 HB2 LEU 57 1HB LEU 57 9.970 6.332 -6.109 456 HB3 LEU 57 2HB LEU 57 11.147 6.454 -4.781 457 HG LEU 57 HG LEU 57 11.387 7.768 -7.516 458 HD11 LEU 57 1HD1 LEU 57 11.088 9.906 -6.237 459 HD12 LEU 57 2HD1 LEU 57 9.671 8.845 -6.063 460 HD13 LEU 57 3HD1 LEU 57 10.861 8.965 -4.745 461 HD21 LEU 57 3HD2 LEU 57 13.550 7.145 -6.616 462 HD22 LEU 57 1HD2 LEU 57 13.355 8.913 -6.556 463 HD23 LEU 57 2HD2 LEU 57 13.171 7.946 -5.072 464 H VAL 58 HN VAL 58 9.438 3.899 -6.513 465 HA VAL 58 HA VAL 58 9.864 2.354 -4.078 466 HB VAL 58 HB VAL 58 7.911 2.039 -6.393 467 HG11 VAL 58 1HG1 VAL 58 6.713 0.458 -4.918 468 HG12 VAL 58 2HG1 VAL 58 8.343 -0.139 -5.306 469 HG13 VAL 58 3HG1 VAL 58 8.016 0.591 -3.716 470 HG21 VAL 58 3HG2 VAL 58 7.572 4.054 -5.091 471 HG22 VAL 58 1HG2 VAL 58 6.267 2.882 -4.795 472 HG23 VAL 58 2HG2 VAL 58 7.555 3.102 -3.587 473 H THR 59 HN THR 59 10.358 1.682 -7.516 474 HA THR 59 HA THR 59 10.899 -1.137 -7.073 475 HB THR 59 HB THR 59 11.616 0.679 -9.413 476 HG1 THR 59 HG1 THR 59 9.755 -0.369 -10.335 477 HG21 THR 59 3HG2 THR 59 11.572 -2.356 -9.184 478 HG22 THR 59 1HG2 THR 59 11.878 -1.430 -10.672 479 HG23 THR 59 2HG2 THR 59 13.030 -1.345 -9.318 480 H TYR 60 HN TYR 60 12.938 1.755 -7.365 481 HA TYR 60 HA TYR 60 15.362 0.066 -7.481 482 HB2 TYR 60 1HB TYR 60 14.940 3.061 -7.524 483 HB3 TYR 60 2HB TYR 60 16.518 2.249 -7.666 484 HD1 TYR 60 HD1 TYR 60 14.923 -0.065 -9.329 485 HD2 TYR 60 HD2 TYR 60 15.544 4.131 -9.754 486 HE1 TYR 60 HE1 TYR 60 14.597 -0.273 -11.776 487 HE2 TYR 60 HE2 TYR 60 15.223 3.942 -12.197 488 HH TYR 60 HH TYR 60 14.789 2.550 -13.947 489 H TYR 61 HN TYR 61 13.730 2.223 -5.213 490 HA TYR 61 HA TYR 61 15.996 1.810 -3.292 491 HB2 TYR 61 1HB TYR 61 13.863 3.952 -3.300 492 HB3 TYR 61 2HB TYR 61 15.262 3.828 -2.205 493 HD1 TYR 61 HD1 TYR 61 14.189 4.617 -5.654 494 HD2 TYR 61 HD2 TYR 61 17.465 4.516 -2.925 495 HE1 TYR 61 HE1 TYR 61 15.540 5.961 -7.237 496 HE2 TYR 61 HE2 TYR 61 18.827 5.856 -4.493 497 HH TYR 61 HH TYR 61 18.897 6.380 -6.966 498 H GLY 62 HN GLY 62 12.438 2.072 -3.444 499 HA2 GLY 62 1HA GLY 62 11.530 -0.127 -2.322 500 HA3 GLY 62 2HA GLY 62 12.292 0.580 -0.877 501 H GLU 63 HN GLU 63 9.592 0.023 -0.902 502 HA GLU 63 HA GLU 63 7.915 2.187 -1.756 503 HB2 GLU 63 1HB GLU 63 7.629 0.126 0.432 504 HB3 GLU 63 2HB GLU 63 6.356 1.292 -0.004 505 HG2 GLU 63 1HG GLU 63 6.157 0.267 -2.268 506 HG3 GLU 63 2HG GLU 63 7.618 -0.667 -1.871 507 H GLU 64 HN GLU 64 9.449 1.521 1.394 508 HA GLU 64 HA GLU 64 8.411 3.945 2.611 509 HB2 GLU 64 1HB GLU 64 10.679 2.086 3.326 510 HB3 GLU 64 2HB GLU 64 10.181 3.478 4.317 511 HG2 GLU 64 1HG GLU 64 7.924 2.405 4.665 512 HG3 GLU 64 2HG GLU 64 8.480 1.147 3.537 513 H TYR 65 HN TYR 65 11.384 3.112 0.897 514 HA TYR 65 HA TYR 65 12.748 5.591 1.514 515 HB2 TYR 65 1HB TYR 65 13.069 3.504 -0.641 516 HB3 TYR 65 2HB TYR 65 14.093 4.956 -0.538 517 HD1 TYR 65 HD2 TYR 65 15.474 5.308 1.565 518 HD2 TYR 65 HD1 TYR 65 13.534 1.610 0.703 519 HE1 TYR 65 HE2 TYR 65 16.948 4.168 3.189 520 HE2 TYR 65 HE1 TYR 65 15.003 0.451 2.328 521 HH TYR 65 HH TYR 65 17.506 2.194 4.179 522 H ALA 66 HN ALA 66 10.534 4.578 -1.039 523 HA ALA 66 HA ALA 66 10.862 6.915 -2.670 524 HB1 ALA 66 3HB ALA 66 8.460 5.084 -2.343 525 HB2 ALA 66 1HB ALA 66 8.698 6.263 -3.653 526 HB3 ALA 66 2HB ALA 66 9.794 4.869 -3.502 527 H VAL 67 HN VAL 67 8.752 6.172 0.080 528 HA VAL 67 HA VAL 67 7.274 8.680 -0.014 529 HB VAL 67 HB VAL 67 7.803 6.690 2.227 530 HG11 VAL 67 1HG1 VAL 67 6.020 7.884 3.456 531 HG12 VAL 67 2HG1 VAL 67 7.408 8.953 3.144 532 HG13 VAL 67 3HG1 VAL 67 5.935 9.096 2.155 533 HG21 VAL 67 3HG2 VAL 67 6.448 5.807 0.424 534 HG22 VAL 67 1HG2 VAL 67 5.465 6.066 1.884 535 HG23 VAL 67 2HG2 VAL 67 5.361 7.212 0.526 536 H GLN 68 HN GLN 68 10.222 7.655 1.663 537 HA GLN 68 HA GLN 68 10.529 10.114 3.130 538 HB2 GLN 68 1HB GLN 68 12.474 7.989 2.223 539 HB3 GLN 68 2HB GLN 68 12.948 9.390 3.212 540 HG2 GLN 68 1HG GLN 68 11.284 8.437 5.101 541 HG3 GLN 68 2HG GLN 68 10.989 7.330 3.740 542 HE21 GLN 68 2HE2 GLN 68 11.737 6.548 6.376 543 HE22 GLN 68 1HE2 GLN 68 13.295 5.796 6.284 544 H LEU 69 HN LEU 69 11.726 9.035 -0.033 545 HA LEU 69 HA LEU 69 13.293 11.447 -0.465 546 HB2 LEU 69 1HB LEU 69 12.203 9.323 -2.188 547 HB3 LEU 69 2HB LEU 69 13.285 10.542 -2.902 548 HG LEU 69 HG LEU 69 14.000 8.548 -0.716 549 HD11 LEU 69 1HD1 LEU 69 15.524 7.584 -2.460 550 HD12 LEU 69 2HD1 LEU 69 13.825 7.527 -2.984 551 HD13 LEU 69 3HD1 LEU 69 14.914 8.777 -3.631 552 HD21 LEU 69 3HD2 LEU 69 15.152 10.657 -0.399 553 HD22 LEU 69 1HD2 LEU 69 16.301 9.416 -0.955 554 HD23 LEU 69 2HD2 LEU 69 15.700 10.647 -2.093 555 H THR 70 HN THR 70 10.047 10.382 -1.408 556 HA THR 70 HA THR 70 9.412 12.717 -2.968 557 HB THR 70 HB THR 70 7.616 10.838 -1.376 558 HG1 THR 70 HG1 THR 70 8.760 9.900 -3.159 559 HG21 THR 70 3HG2 THR 70 6.918 12.911 -3.493 560 HG22 THR 70 1HG2 THR 70 5.785 11.754 -2.758 561 HG23 THR 70 2HG2 THR 70 6.532 13.025 -1.760 562 H LEU 71 HN LEU 71 8.939 11.959 0.480 563 HA LEU 71 HA LEU 71 7.640 14.367 1.218 564 HB2 LEU 71 1HB LEU 71 7.973 12.380 2.498 565 HB3 LEU 71 2HB LEU 71 9.664 12.775 2.885 566 HG LEU 71 HG LEU 71 7.325 14.591 3.554 567 HD11 LEU 71 1HD1 LEU 71 7.526 13.724 5.900 568 HD12 LEU 71 2HD1 LEU 71 7.072 12.429 4.769 569 HD13 LEU 71 3HD1 LEU 71 8.750 12.557 5.347 570 HD21 LEU 71 3HD2 LEU 71 9.486 15.685 3.420 571 HD22 LEU 71 1HD2 LEU 71 8.941 15.624 5.113 572 HD23 LEU 71 2HD2 LEU 71 10.191 14.493 4.538 573 H GLN 72 HN GLN 72 11.119 13.668 0.960 574 HA GLN 72 HA GLN 72 12.014 16.206 1.920 575 HB2 GLN 72 1HB GLN 72 13.429 14.200 1.624 576 HB3 GLN 72 2HB GLN 72 13.278 14.386 -0.139 577 HG2 GLN 72 1HG GLN 72 15.512 15.550 0.443 578 HG3 GLN 72 2HG GLN 72 14.087 16.559 0.103 579 HE21 GLN 72 2HE2 GLN 72 14.981 18.333 1.202 580 HE22 GLN 72 1HE2 GLN 72 15.078 18.382 2.931 581 H VAL 73 HN VAL 73 11.149 15.117 -1.344 582 HA VAL 73 HA VAL 73 11.956 17.653 -2.588 583 HB VAL 73 HB VAL 73 10.252 15.343 -3.612 584 HG11 VAL 73 1HG1 VAL 73 10.632 16.350 -5.838 585 HG12 VAL 73 2HG1 VAL 73 9.750 17.468 -4.771 586 HG13 VAL 73 3HG1 VAL 73 11.486 17.712 -5.077 587 HG21 VAL 73 3HG2 VAL 73 12.533 14.672 -3.144 588 HG22 VAL 73 1HG2 VAL 73 12.240 14.734 -4.897 589 HG23 VAL 73 2HG2 VAL 73 13.152 16.038 -4.102 590 H LEU 74 HN LEU 74 8.964 16.311 -1.317 591 HA LEU 74 HA LEU 74 7.210 18.340 -2.288 592 HB2 LEU 74 1HB LEU 74 7.355 16.661 0.112 593 HB3 LEU 74 2HB LEU 74 5.946 17.735 -0.041 594 HG LEU 74 HG LEU 74 6.729 15.516 -1.971 595 HD11 LEU 74 1HD1 LEU 74 4.641 14.399 -1.140 596 HD12 LEU 74 2HD1 LEU 74 5.803 14.661 0.181 597 HD13 LEU 74 3HD1 LEU 74 4.399 15.739 0.005 598 HD21 LEU 74 3HD2 LEU 74 5.677 17.377 -3.114 599 HD22 LEU 74 1HD2 LEU 74 4.564 15.989 -3.062 600 HD23 LEU 74 2HD2 LEU 74 4.326 17.363 -1.955 601 H ARG 75 HN ARG 75 9.207 18.229 0.657 602 HA ARG 75 HA ARG 75 8.476 20.864 1.567 603 HB2 ARG 75 1HB ARG 75 10.854 19.154 2.099 604 HB3 ARG 75 2HB ARG 75 10.626 20.778 2.788 605 HG2 ARG 75 1HG ARG 75 8.551 20.036 3.866 606 HG3 ARG 75 2HG ARG 75 8.762 18.413 3.165 607 HD2 ARG 75 1HD ARG 75 10.758 18.090 4.452 608 HD3 ARG 75 2HD ARG 75 10.625 19.738 5.109 609 HE ARG 75 HE ARG 75 8.258 18.314 5.933 610 HH11 ARG 75 1HH1 ARG 75 11.698 18.081 6.447 611 HH12 ARG 75 2HH1 ARG 75 11.420 17.402 8.038 612 HH21 ARG 75 1HH2 ARG 75 7.922 17.530 7.750 613 HH22 ARG 75 2HH2 ARG 75 9.267 17.086 8.782 614 H ALA 76 HN ALA 76 10.851 19.688 -0.750 615 HA ALA 76 HA ALA 76 12.304 22.152 -0.977 616 HB1 ALA 76 3HB ALA 76 11.921 19.918 -2.998 617 HB2 ALA 76 1HB ALA 76 13.142 21.206 -3.093 618 HB3 ALA 76 2HB ALA 76 13.207 20.015 -1.773 619 H ILE 77 HN ILE 77 9.279 21.035 -2.307 620 HA ILE 77 HA ILE 77 9.145 23.457 -4.075 621 HB ILE 77 HB ILE 77 7.196 22.344 -5.107 622 HG12 ILE 77 1HG1 ILE 77 7.768 20.018 -3.293 623 HG13 ILE 77 2HG1 ILE 77 6.497 21.229 -3.009 624 HG21 ILE 77 1HG2 ILE 77 8.359 20.429 -6.152 625 HG22 ILE 77 2HG2 ILE 77 9.440 21.835 -6.014 626 HG23 ILE 77 3HG2 ILE 77 9.593 20.479 -4.872 627 HD11 ILE 77 3HD1 ILE 77 6.696 19.392 -5.421 628 HD12 ILE 77 1HD1 ILE 77 5.574 19.198 -4.056 629 HD13 ILE 77 2HD1 ILE 77 5.425 20.604 -5.137 630 H ASN 78 HN ASN 78 8.759 23.153 -1.035 631 HA ASN 78 HA ASN 78 7.559 24.451 0.474 632 HB2 ASN 78 1HB ASN 78 6.326 26.021 -1.906 633 HB3 ASN 78 2HB ASN 78 6.427 26.151 -0.133 634 HD21 ASN 78 2HD2 ASN 78 7.800 27.016 -3.053 635 HD22 ASN 78 1HD2 ASN 78 9.319 27.613 -2.473 636 H GLN 79 HN GLN 79 6.524 21.912 -0.516 637 HA GLN 79 HA GLN 79 3.670 22.406 0.261 638 HB2 GLN 79 1HB GLN 79 4.967 20.145 -1.271 639 HB3 GLN 79 2HB GLN 79 3.312 20.079 -0.620 640 HG2 GLN 79 1HG GLN 79 4.189 22.034 -2.924 641 HG3 GLN 79 2HG GLN 79 3.330 20.480 -2.799 642 HE21 GLN 79 2HE2 GLN 79 2.697 23.472 -3.520 643 HE22 GLN 79 1HE2 GLN 79 1.191 23.743 -2.707 644 H ARG 80 HN ARG 80 4.458 22.642 2.445 645 HA ARG 80 HA ARG 80 5.626 20.329 3.788 646 HB2 ARG 80 1HB ARG 80 4.455 22.872 4.805 647 HB3 ARG 80 2HB ARG 80 5.052 21.562 5.848 648 HG2 ARG 80 1HG ARG 80 7.285 21.778 4.845 649 HG3 ARG 80 2HG ARG 80 6.688 23.089 3.799 650 HD2 ARG 80 1HD ARG 80 6.270 24.460 5.727 651 HD3 ARG 80 2HD ARG 80 6.804 23.143 6.798 652 HE ARG 80 HE ARG 80 9.044 23.837 5.109 653 HH11 ARG 80 1HH1 ARG 80 7.114 25.345 7.592 654 HH12 ARG 80 2HH1 ARG 80 8.492 26.308 8.087 655 HH21 ARG 80 1HH2 ARG 80 10.629 24.939 5.659 656 HH22 ARG 80 2HH2 ARG 80 10.497 26.079 6.984 657 H LEU 81 HN LEU 81 2.390 21.471 3.125 658 HA LEU 81 HA LEU 81 0.970 19.935 5.060 659 HB2 LEU 81 1HB LEU 81 -0.001 21.598 3.835 660 HB3 LEU 81 2HB LEU 81 0.200 20.844 2.235 661 HG LEU 81 HG LEU 81 -1.287 18.969 3.035 662 HD11 LEU 81 1HD1 LEU 81 -2.748 19.453 5.016 663 HD12 LEU 81 2HD1 LEU 81 -1.032 19.382 5.481 664 HD13 LEU 81 3HD1 LEU 81 -1.840 20.957 5.299 665 HD21 LEU 81 3HD2 LEU 81 -2.126 20.709 1.571 666 HD22 LEU 81 1HD2 LEU 81 -3.386 20.234 2.733 667 HD23 LEU 81 2HD2 LEU 81 -2.485 21.752 2.968 668 H LEU 82 HN LEU 82 1.896 19.067 1.721 669 HA LEU 82 HA LEU 82 0.772 16.395 1.985 670 HB2 LEU 82 1HB LEU 82 2.623 17.713 0.115 671 HB3 LEU 82 2HB LEU 82 2.082 16.055 -0.235 672 HG LEU 82 HG LEU 82 0.331 18.540 -0.069 673 HD11 LEU 82 1HD1 LEU 82 -0.040 18.114 -2.513 674 HD12 LEU 82 2HD1 LEU 82 1.681 18.395 -2.160 675 HD13 LEU 82 3HD1 LEU 82 1.086 16.739 -2.429 676 HD21 LEU 82 3HD2 LEU 82 -0.832 16.591 0.785 677 HD22 LEU 82 1HD2 LEU 82 -1.506 17.055 -0.794 678 HD23 LEU 82 2HD2 LEU 82 -0.406 15.661 -0.670 679 H ALA 83 HN ALA 83 3.943 17.830 2.469 680 HA ALA 83 HA ALA 83 5.377 15.376 2.807 681 HB1 ALA 83 3HB ALA 83 5.814 18.081 4.117 682 HB2 ALA 83 1HB ALA 83 6.984 16.741 4.081 683 HB3 ALA 83 2HB ALA 83 6.503 17.543 2.567 684 H GLU 84 HN GLU 84 3.489 17.365 5.066 685 HA GLU 84 HA GLU 84 3.988 15.724 7.383 686 HB2 GLU 84 1HB GLU 84 3.108 18.009 7.484 687 HB3 GLU 84 2HB GLU 84 1.615 17.461 6.683 688 HG2 GLU 84 1HG GLU 84 1.124 15.988 8.694 689 HG3 GLU 84 2HG GLU 84 2.678 16.573 9.332 690 H GLU 85 HN GLU 85 1.549 15.597 4.819 691 HA GLU 85 HA GLU 85 -0.100 13.568 5.938 692 HB2 GLU 85 1HB GLU 85 -0.641 14.879 3.934 693 HB3 GLU 85 2HB GLU 85 0.652 14.035 3.047 694 HG2 GLU 85 1HG GLU 85 -0.620 11.861 3.323 695 HG3 GLU 85 2HG GLU 85 -1.779 12.809 4.282 696 H LEU 86 HN LEU 86 2.779 13.248 3.854 697 HA LEU 86 HA LEU 86 2.747 10.365 3.886 698 HB2 LEU 86 1HB LEU 86 4.764 12.448 3.421 699 HB3 LEU 86 2HB LEU 86 5.261 10.753 3.212 700 HG LEU 86 HG LEU 86 3.142 12.250 1.623 701 HD11 LEU 86 1HD1 LEU 86 4.692 11.829 -0.304 702 HD12 LEU 86 2HD1 LEU 86 5.489 12.780 0.971 703 HD13 LEU 86 3HD1 LEU 86 5.835 11.042 0.808 704 HD21 LEU 86 3HD2 LEU 86 2.454 9.956 2.001 705 HD22 LEU 86 1HD2 LEU 86 2.923 10.175 0.298 706 HD23 LEU 86 2HD2 LEU 86 4.030 9.359 1.428 707 H HIS 87 HN HIS 87 4.304 12.789 5.942 708 HA HIS 87 HA HIS 87 5.828 10.982 7.542 709 HB2 HIS 87 1HB HIS 87 6.167 13.410 7.693 710 HB3 HIS 87 2HB HIS 87 4.505 13.627 8.294 711 HD1 HIS 87 HD1 HIS 87 7.784 11.989 9.321 712 HD2 HIS 87 HD2 HIS 87 4.317 13.584 11.109 713 HE1 HIS 87 HE1 HIS 87 8.157 11.878 11.733 714 H ARG 88 HN ARG 88 2.491 12.170 7.951 715 HA ARG 88 HA ARG 88 2.050 10.619 10.365 716 HB2 ARG 88 1HB ARG 88 0.147 11.964 8.504 717 HB3 ARG 88 2HB ARG 88 -0.313 11.108 9.994 718 HG2 ARG 88 1HG ARG 88 1.068 12.668 11.309 719 HG3 ARG 88 2HG ARG 88 1.506 13.531 9.815 720 HD2 ARG 88 1HD ARG 88 -0.895 14.022 9.491 721 HD3 ARG 88 2HD ARG 88 -1.195 13.324 11.100 722 HE ARG 88 HE ARG 88 -0.035 16.021 10.650 723 HH11 ARG 88 1HH1 ARG 88 -0.472 13.423 12.933 724 HH12 ARG 88 2HH1 ARG 88 -0.158 14.526 14.259 725 HH21 ARG 88 1HH2 ARG 88 0.318 17.299 12.157 726 HH22 ARG 88 2HH2 ARG 88 0.292 16.738 13.817 727 H ALA 89 HN ALA 89 1.565 10.033 6.925 728 HA ALA 89 HA ALA 89 0.067 7.612 7.207 729 HB1 ALA 89 3HB ALA 89 2.006 8.454 5.026 730 HB2 ALA 89 1HB ALA 89 0.829 7.126 4.913 731 HB3 ALA 89 2HB ALA 89 0.263 8.806 5.072 732 H ALA 90 HN ALA 90 3.565 8.242 7.081 733 HA ALA 90 HA ALA 90 4.357 5.494 7.172 734 HB1 ALA 90 3HB ALA 90 5.810 7.970 8.164 735 HB2 ALA 90 1HB ALA 90 6.542 6.371 7.900 736 HB3 ALA 90 2HB ALA 90 5.894 7.292 6.521 737 H ILE 91 HN ILE 91 3.526 7.825 9.692 738 HA ILE 91 HA ILE 91 4.276 6.144 11.931 739 HB ILE 91 HB ILE 91 2.239 8.398 11.647 740 HG12 ILE 91 1HG1 ILE 91 4.899 8.363 13.042 741 HG13 ILE 91 2HG1 ILE 91 4.653 8.907 11.366 742 HG21 ILE 91 1HG2 ILE 91 2.166 8.409 14.118 743 HG22 ILE 91 2HG2 ILE 91 1.579 6.862 13.467 744 HG23 ILE 91 3HG2 ILE 91 3.216 6.973 14.155 745 HD11 ILE 91 3HD1 ILE 91 3.359 10.116 13.835 746 HD12 ILE 91 1HD1 ILE 91 4.714 10.817 12.921 747 HD13 ILE 91 2HD1 ILE 91 3.112 10.659 12.159 748 H GLN 92 HN GLN 92 1.229 6.532 10.152 749 HA GLN 92 HA GLN 92 -0.194 4.643 11.823 750 HB2 GLN 92 1HB GLN 92 -0.662 5.689 9.027 751 HB3 GLN 92 2HB GLN 92 -1.775 4.587 9.872 752 HG2 GLN 92 1HG GLN 92 -2.106 6.554 11.685 753 HG3 GLN 92 2HG GLN 92 -0.844 7.220 10.620 754 HE21 GLN 92 2HE2 GLN 92 -3.290 8.516 11.246 755 HE22 GLN 92 1HE2 GLN 92 -4.216 8.651 9.788 756 H LEU 93 HN LEU 93 1.730 4.357 8.884 757 HA LEU 93 HA LEU 93 1.011 1.598 8.372 758 HB2 LEU 93 1HB LEU 93 3.264 3.354 7.676 759 HB3 LEU 93 2HB LEU 93 3.233 1.712 6.990 760 HG LEU 93 HG LEU 93 1.104 3.841 6.551 761 HD11 LEU 93 1HD1 LEU 93 2.013 3.948 4.214 762 HD12 LEU 93 2HD1 LEU 93 3.245 4.413 5.409 763 HD13 LEU 93 3HD1 LEU 93 3.286 2.794 4.673 764 HD21 LEU 93 3HD2 LEU 93 0.222 1.584 6.460 765 HD22 LEU 93 1HD2 LEU 93 0.249 2.291 4.826 766 HD23 LEU 93 2HD2 LEU 93 1.488 1.105 5.304 Start of MODEL 9 1 H THR 4 1H THR 4 -0.315 -0.389 -1.039 2 HA THR 4 HA THR 4 2.257 -0.634 0.184 3 HB THR 4 HB THR 4 3.189 -0.437 -2.048 4 HG1 THR 4 HG1 THR 4 2.051 0.444 -3.721 5 HG21 THR 4 3HG2 THR 4 0.479 -1.819 -2.157 6 HG22 THR 4 1HG2 THR 4 1.841 -2.111 -3.263 7 HG23 THR 4 2HG2 THR 4 1.987 -2.534 -1.539 8 HA PRO 5 HA PRO 5 3.622 3.501 0.870 9 HB2 PRO 5 1HB PRO 5 6.294 3.255 0.154 10 HB3 PRO 5 2HB PRO 5 5.681 2.593 1.675 11 HG2 PRO 5 1HG PRO 5 6.172 1.173 -0.963 12 HG3 PRO 5 2HG PRO 5 6.594 0.653 0.674 13 HD2 PRO 5 1HD PRO 5 4.378 -0.335 -0.563 14 HD3 PRO 5 2HD PRO 5 4.367 -0.026 1.177 15 H SER 6 HN SER 6 4.052 1.906 -2.211 16 HA SER 6 HA SER 6 4.676 4.311 -3.765 17 HB2 SER 6 1HB SER 6 4.347 3.056 -5.627 18 HB3 SER 6 2HB SER 6 5.245 2.087 -4.437 19 HG SER 6 HG SER 6 3.199 1.287 -5.704 20 H ASP 7 HN ASP 7 1.714 2.556 -2.807 21 HA ASP 7 HA ASP 7 -0.100 4.318 -4.233 22 HB2 ASP 7 1HB ASP 7 -0.556 2.432 -1.843 23 HB3 ASP 7 2HB ASP 7 -1.715 3.515 -2.654 24 H HIS 8 HN HIS 8 1.264 4.293 -0.959 25 HA HIS 8 HA HIS 8 -0.201 6.557 0.014 26 HB2 HIS 8 1HB HIS 8 2.539 5.440 0.749 27 HB3 HIS 8 2HB HIS 8 1.747 6.774 1.621 28 HD1 HIS 8 HD1 HIS 8 2.379 4.344 3.206 29 HD2 HIS 8 HD2 HIS 8 -1.262 4.671 1.199 30 HE1 HIS 8 HE1 HIS 8 0.900 2.831 4.359 31 H LEU 9 HN LEU 9 2.869 6.311 -1.753 32 HA LEU 9 HA LEU 9 3.347 9.164 -1.789 33 HB2 LEU 9 1HB LEU 9 4.147 6.878 -3.457 34 HB3 LEU 9 2HB LEU 9 4.841 8.473 -3.824 35 HG LEU 9 HG LEU 9 5.158 6.970 -1.197 36 HD11 LEU 9 1HD1 LEU 9 7.541 6.670 -1.921 37 HD12 LEU 9 2HD1 LEU 9 6.417 5.891 -3.059 38 HD13 LEU 9 3HD1 LEU 9 7.154 7.458 -3.469 39 HD21 LEU 9 3HD2 LEU 9 5.200 9.378 -0.913 40 HD22 LEU 9 1HD2 LEU 9 6.832 8.711 -0.672 41 HD23 LEU 9 2HD2 LEU 9 6.423 9.538 -2.195 42 H LEU 10 HN LEU 10 1.846 6.931 -4.127 43 HA LEU 10 HA LEU 10 1.317 8.788 -6.178 44 HB2 LEU 10 1HB LEU 10 1.027 6.406 -6.144 45 HB3 LEU 10 2HB LEU 10 -0.532 6.506 -5.293 46 HG LEU 10 HG LEU 10 0.054 7.846 -7.958 47 HD11 LEU 10 1HD1 LEU 10 -1.338 6.019 -8.968 48 HD12 LEU 10 2HD1 LEU 10 0.121 5.364 -8.190 49 HD13 LEU 10 3HD1 LEU 10 -1.455 5.245 -7.370 50 HD21 LEU 10 3HD2 LEU 10 -1.693 8.917 -6.664 51 HD22 LEU 10 1HD2 LEU 10 -2.401 8.093 -8.073 52 HD23 LEU 10 2HD2 LEU 10 -2.533 7.362 -6.456 53 H SER 11 HN SER 11 -0.550 8.151 -3.227 54 HA SER 11 HA SER 11 -2.889 9.685 -3.760 55 HB2 SER 11 1HB SER 11 -1.487 9.181 -1.207 56 HB3 SER 11 2HB SER 11 -3.091 9.926 -1.405 57 HG SER 11 HG SER 11 -3.198 7.666 -1.051 58 H THR 12 HN THR 12 0.336 10.671 -2.576 59 HA THR 12 HA THR 12 -0.627 13.445 -2.144 60 HB THR 12 HB THR 12 1.598 13.844 -1.178 61 HG1 THR 12 HG1 THR 12 3.060 12.037 -1.057 62 HG21 THR 12 3HG2 THR 12 0.376 11.230 -0.208 63 HG22 THR 12 1HG2 THR 12 1.474 12.274 0.725 64 HG23 THR 12 2HG2 THR 12 -0.144 12.862 0.273 65 H LEU 13 HN LEU 13 1.125 11.583 -4.475 66 HA LEU 13 HA LEU 13 2.304 13.976 -5.741 67 HB2 LEU 13 1HB LEU 13 2.103 11.124 -6.450 68 HB3 LEU 13 2HB LEU 13 3.041 12.225 -7.484 69 HG LEU 13 HG LEU 13 3.641 11.460 -4.600 70 HD11 LEU 13 1HD1 LEU 13 5.723 10.472 -5.593 71 HD12 LEU 13 2HD1 LEU 13 4.261 9.727 -6.282 72 HD13 LEU 13 3HD1 LEU 13 5.160 10.950 -7.212 73 HD21 LEU 13 3HD2 LEU 13 4.169 13.795 -4.985 74 HD22 LEU 13 1HD2 LEU 13 5.670 12.850 -4.841 75 HD23 LEU 13 2HD2 LEU 13 5.099 13.376 -6.443 76 H GLU 14 HN GLU 14 -0.591 12.102 -5.946 77 HA GLU 14 HA GLU 14 -1.352 13.034 -8.605 78 HB2 GLU 14 1HB GLU 14 -2.260 10.997 -7.558 79 HB3 GLU 14 2HB GLU 14 -3.037 12.008 -6.315 80 HG2 GLU 14 1HG GLU 14 -4.468 13.072 -8.112 81 HG3 GLU 14 2HG GLU 14 -3.534 12.087 -9.262 82 H GLU 15 HN GLU 15 -1.575 14.297 -5.356 83 HA GLU 15 HA GLU 15 -3.633 16.267 -6.009 84 HB2 GLU 15 1HB GLU 15 -1.709 15.980 -3.699 85 HB3 GLU 15 2HB GLU 15 -2.949 17.252 -3.823 86 HG2 GLU 15 1HG GLU 15 -3.525 14.231 -3.647 87 HG3 GLU 15 2HG GLU 15 -3.628 15.477 -2.383 88 H LEU 16 HN LEU 16 -0.226 16.062 -6.425 89 HA LEU 16 HA LEU 16 0.382 18.870 -6.469 90 HB2 LEU 16 1HB LEU 16 1.444 16.478 -7.804 91 HB3 LEU 16 2HB LEU 16 2.293 18.020 -8.054 92 HG LEU 16 HG LEU 16 1.892 16.600 -5.392 93 HD11 LEU 16 1HD1 LEU 16 4.379 16.277 -5.477 94 HD12 LEU 16 2HD1 LEU 16 3.576 15.487 -6.854 95 HD13 LEU 16 3HD1 LEU 16 4.408 17.043 -7.082 96 HD21 LEU 16 3HD2 LEU 16 1.881 19.012 -5.138 97 HD22 LEU 16 1HD2 LEU 16 3.391 18.339 -4.478 98 HD23 LEU 16 2HD2 LEU 16 3.394 19.146 -6.066 99 H VAL 17 HN VAL 17 -0.105 20.431 -7.788 100 HA VAL 17 HA VAL 17 -1.443 19.879 -10.374 101 HB VAL 17 HB VAL 17 -1.535 22.311 -10.594 102 HG11 VAL 17 1HG1 VAL 17 -2.857 22.859 -8.578 103 HG12 VAL 17 2HG1 VAL 17 -3.247 21.229 -9.176 104 HG13 VAL 17 3HG1 VAL 17 -2.195 21.428 -7.754 105 HG21 VAL 17 3HG2 VAL 17 0.660 22.855 -9.727 106 HG22 VAL 17 1HG2 VAL 17 -0.599 23.799 -8.897 107 HG23 VAL 17 2HG2 VAL 17 0.145 22.402 -8.084 108 HA PRO 18 HA PRO 18 1.656 19.754 -13.259 109 HB2 PRO 18 1HB PRO 18 0.585 22.370 -14.437 110 HB3 PRO 18 2HB PRO 18 0.963 20.859 -15.275 111 HG2 PRO 18 1HG PRO 18 -1.580 21.461 -14.772 112 HG3 PRO 18 2HG PRO 18 -1.028 19.796 -14.546 113 HD2 PRO 18 1HD PRO 18 -1.624 21.903 -12.449 114 HD3 PRO 18 2HD PRO 18 -1.860 20.152 -12.365 115 H TYR 19 HN TYR 19 1.174 23.016 -11.946 116 HA TYR 19 HA TYR 19 3.862 23.895 -12.558 117 HB2 TYR 19 1HB TYR 19 2.031 25.448 -12.148 118 HB3 TYR 19 2HB TYR 19 1.872 24.835 -10.484 119 HD1 TYR 19 HD1 TYR 19 4.204 26.610 -12.794 120 HD2 TYR 19 HD2 TYR 19 3.195 25.738 -8.744 121 HE1 TYR 19 HE1 TYR 19 5.871 28.276 -12.029 122 HE2 TYR 19 HE2 TYR 19 4.854 27.396 -7.963 123 HH TYR 19 HH TYR 19 6.426 28.929 -8.566 124 H ASP 20 HN ASP 20 2.369 22.829 -9.486 125 HA ASP 20 HA ASP 20 4.857 22.910 -8.033 126 HB2 ASP 20 1HB ASP 20 2.215 21.451 -7.433 127 HB3 ASP 20 2HB ASP 20 3.726 21.461 -6.490 128 H PHE 21 HN PHE 21 3.299 20.451 -9.992 129 HA PHE 21 HA PHE 21 5.044 18.287 -9.144 130 HB2 PHE 21 1HB PHE 21 2.854 17.839 -10.198 131 HB3 PHE 21 2HB PHE 21 3.402 18.632 -11.692 132 HD1 PHE 21 HD1 PHE 21 4.303 15.846 -9.381 133 HD2 PHE 21 HD2 PHE 21 4.302 17.377 -13.369 134 HE1 PHE 21 HE1 PHE 21 5.168 13.683 -10.209 135 HE2 PHE 21 HE2 PHE 21 5.164 15.215 -14.202 136 HZ PHE 21 HZ PHE 21 5.598 13.368 -12.621 137 H GLU 22 HN GLU 22 5.106 20.614 -11.831 138 HA GLU 22 HA GLU 22 7.490 19.661 -13.076 139 HB2 GLU 22 1HB GLU 22 5.978 21.353 -14.023 140 HB3 GLU 22 2HB GLU 22 6.498 22.500 -12.765 141 HG2 GLU 22 1HG GLU 22 8.844 22.441 -13.723 142 HG3 GLU 22 2HG GLU 22 8.213 21.224 -14.856 143 H LYS 23 HN LYS 23 7.022 21.827 -10.308 144 HA LYS 23 HA LYS 23 9.904 22.272 -10.002 145 HB2 LYS 23 1HB LYS 23 7.610 22.785 -8.102 146 HB3 LYS 23 2HB LYS 23 9.279 23.378 -7.930 147 HG2 LYS 23 1HG LYS 23 7.339 24.122 -10.147 148 HG3 LYS 23 2HG LYS 23 7.770 25.143 -8.754 149 HD2 LYS 23 1HD LYS 23 10.124 25.145 -9.491 150 HD3 LYS 23 2HD LYS 23 9.681 24.140 -10.891 151 HE2 LYS 23 1HE LYS 23 8.192 25.911 -11.703 152 HE3 LYS 23 2HE LYS 23 8.609 26.915 -10.296 153 HZ1 LYS 23 3HZ LYS 23 10.495 26.016 -12.379 154 HZ2 LYS 23 1HZ LYS 23 9.876 27.538 -12.239 155 HZ3 LYS 23 2HZ LYS 23 10.883 26.947 -11.074 156 H PHE 24 HN PHE 24 7.487 20.083 -8.669 157 HA PHE 24 HA PHE 24 9.163 18.836 -6.705 158 HB2 PHE 24 1HB PHE 24 6.720 18.413 -6.881 159 HB3 PHE 24 2HB PHE 24 6.982 17.589 -8.434 160 HD1 PHE 24 HD1 PHE 24 7.354 17.386 -4.803 161 HD2 PHE 24 HD2 PHE 24 7.960 15.404 -8.540 162 HE1 PHE 24 HE1 PHE 24 7.693 15.246 -3.612 163 HE2 PHE 24 HE2 PHE 24 8.296 13.262 -7.351 164 HZ PHE 24 HZ PHE 24 8.164 13.185 -4.886 165 H LYS 25 HN LYS 25 8.648 18.047 -10.151 166 HA LYS 25 HA LYS 25 10.531 15.934 -10.327 167 HB2 LYS 25 1HB LYS 25 8.942 16.587 -12.091 168 HB3 LYS 25 2HB LYS 25 9.896 18.062 -12.376 169 HG2 LYS 25 1HG LYS 25 11.867 16.515 -12.872 170 HG3 LYS 25 2HG LYS 25 10.684 15.185 -12.903 171 HD2 LYS 25 1HD LYS 25 10.646 17.665 -14.657 172 HD3 LYS 25 2HD LYS 25 11.128 16.031 -15.168 173 HE2 LYS 25 1HE LYS 25 8.817 15.262 -14.451 174 HE3 LYS 25 2HE LYS 25 8.389 16.982 -14.293 175 HZ1 LYS 25 3HZ LYS 25 9.327 15.667 -16.762 176 HZ2 LYS 25 1HZ LYS 25 7.769 16.104 -16.440 177 HZ3 LYS 25 2HZ LYS 25 8.932 17.261 -16.617 178 H PHE 26 HN PHE 26 11.057 19.430 -10.839 179 HA PHE 26 HA PHE 26 13.817 19.283 -11.456 180 HB2 PHE 26 1HB PHE 26 12.512 21.357 -11.717 181 HB3 PHE 26 2HB PHE 26 12.307 21.466 -9.953 182 HD1 PHE 26 HD1 PHE 26 14.810 21.549 -12.682 183 HD2 PHE 26 HD2 PHE 26 13.910 22.471 -8.608 184 HE1 PHE 26 HE1 PHE 26 16.892 22.874 -12.523 185 HE2 PHE 26 HE2 PHE 26 15.991 23.798 -8.446 186 HZ PHE 26 HZ PHE 26 17.482 23.998 -10.405 187 H LYS 27 HN LYS 27 12.233 19.527 -8.276 188 HA LYS 27 HA LYS 27 14.834 19.588 -6.906 189 HB2 LYS 27 1HB LYS 27 11.987 19.382 -5.919 190 HB3 LYS 27 2HB LYS 27 13.418 19.463 -4.866 191 HG2 LYS 27 1HG LYS 27 12.557 21.601 -6.845 192 HG3 LYS 27 2HG LYS 27 12.281 21.653 -5.087 193 HD2 LYS 27 1HD LYS 27 14.753 21.509 -4.747 194 HD3 LYS 27 2HD LYS 27 14.962 21.612 -6.512 195 HE2 LYS 27 1HE LYS 27 13.840 23.796 -6.523 196 HE3 LYS 27 2HE LYS 27 13.616 23.694 -4.762 197 HZ1 LYS 27 3HZ LYS 27 16.214 23.776 -6.157 198 HZ2 LYS 27 1HZ LYS 27 15.524 25.032 -5.338 199 HZ3 LYS 27 2HZ LYS 27 16.006 23.681 -4.523 200 H LEU 28 HN LEU 28 12.552 17.190 -7.924 201 HA LEU 28 HA LEU 28 13.405 15.088 -6.137 202 HB2 LEU 28 1HB LEU 28 11.406 15.120 -7.362 203 HB3 LEU 28 2HB LEU 28 12.185 14.923 -8.949 204 HG LEU 28 HG LEU 28 13.141 12.742 -8.097 205 HD11 LEU 28 1HD1 LEU 28 11.980 11.704 -6.130 206 HD12 LEU 28 2HD1 LEU 28 12.834 13.193 -5.664 207 HD13 LEU 28 3HD1 LEU 28 11.069 13.213 -5.891 208 HD21 LEU 28 3HD2 LEU 28 11.247 12.795 -9.609 209 HD22 LEU 28 1HD2 LEU 28 11.048 11.474 -8.434 210 HD23 LEU 28 2HD2 LEU 28 10.123 12.983 -8.242 211 H GLN 29 HN GLN 29 14.606 16.282 -9.234 212 HA GLN 29 HA GLN 29 16.630 14.197 -9.474 213 HB2 GLN 29 1HB GLN 29 16.329 16.938 -10.717 214 HB3 GLN 29 2HB GLN 29 17.631 15.794 -11.118 215 HG2 GLN 29 1HG GLN 29 15.686 14.147 -12.017 216 HG3 GLN 29 2HG GLN 29 14.764 15.516 -11.352 217 HE21 GLN 29 2HE2 GLN 29 14.447 14.584 -13.976 218 HE22 GLN 29 1HE2 GLN 29 15.012 15.802 -15.072 219 H ASN 30 HN ASN 30 16.370 17.208 -7.762 220 HA ASN 30 HA ASN 30 19.328 17.237 -7.307 221 HB2 ASN 30 1HB ASN 30 17.353 19.579 -6.761 222 HB3 ASN 30 2HB ASN 30 19.062 19.219 -6.414 223 HD21 ASN 30 2HD2 ASN 30 17.518 21.198 -8.162 224 HD22 ASN 30 1HD2 ASN 30 18.338 21.118 -9.687 225 H THR 31 HN THR 31 16.747 15.828 -5.961 226 HA THR 31 HA THR 31 16.972 16.602 -3.187 227 HB THR 31 HB THR 31 15.045 15.297 -4.330 228 HG1 THR 31 HG1 THR 31 16.105 14.290 -1.873 229 HG21 THR 31 3HG2 THR 31 16.952 13.012 -3.692 230 HG22 THR 31 1HG2 THR 31 15.254 12.840 -4.194 231 HG23 THR 31 2HG2 THR 31 16.452 13.522 -5.321 232 H SER 32 HN SER 32 17.978 15.671 -1.465 233 HA SER 32 HA SER 32 20.544 14.348 -1.813 234 HB2 SER 32 1HB SER 32 20.140 15.714 0.016 235 HB3 SER 32 2HB SER 32 18.823 14.657 0.572 236 HG SER 32 HG SER 32 20.814 14.218 1.613 237 H VAL 33 HN VAL 33 20.995 12.262 -2.111 238 HA VAL 33 HA VAL 33 18.876 10.204 -1.507 239 HB VAL 33 HB VAL 33 19.664 8.939 -3.471 240 HG11 VAL 33 1HG1 VAL 33 18.707 10.382 -5.236 241 HG12 VAL 33 2HG1 VAL 33 17.742 10.470 -3.744 242 HG13 VAL 33 3HG1 VAL 33 18.855 11.793 -4.164 243 HG21 VAL 33 3HG2 VAL 33 21.944 9.752 -3.558 244 HG22 VAL 33 1HG2 VAL 33 21.135 9.966 -5.128 245 HG23 VAL 33 2HG2 VAL 33 21.372 11.363 -4.051 246 H GLN 34 HN GLN 34 19.711 8.010 -1.352 247 HA GLN 34 HA GLN 34 21.974 8.092 0.545 248 HB2 GLN 34 1HB GLN 34 20.195 5.814 -0.353 249 HB3 GLN 34 2HB GLN 34 21.380 5.761 0.973 250 HG2 GLN 34 1HG GLN 34 18.685 7.374 1.093 251 HG3 GLN 34 2HG GLN 34 19.353 5.876 1.785 252 HE21 GLN 34 2HE2 GLN 34 18.892 9.194 2.214 253 HE22 GLN 34 1HE2 GLN 34 19.988 9.443 3.532 254 H LYS 35 HN LYS 35 23.660 6.481 0.517 255 HA LYS 35 HA LYS 35 24.752 6.286 -2.248 256 HB2 LYS 35 1HB LYS 35 26.019 5.916 0.471 257 HB3 LYS 35 2HB LYS 35 26.862 5.749 -1.087 258 HG2 LYS 35 1HG LYS 35 26.413 8.114 -1.590 259 HG3 LYS 35 2HG LYS 35 25.556 8.284 -0.039 260 HD2 LYS 35 1HD LYS 35 27.633 7.691 1.160 261 HD3 LYS 35 2HD LYS 35 28.484 7.561 -0.396 262 HE2 LYS 35 1HE LYS 35 27.973 9.932 -0.858 263 HE3 LYS 35 2HE LYS 35 27.166 10.054 0.723 264 HZ1 LYS 35 3HZ LYS 35 30.016 9.422 0.298 265 HZ2 LYS 35 1HZ LYS 35 29.422 10.873 0.811 266 HZ3 LYS 35 2HZ LYS 35 29.267 9.534 1.764 267 H GLU 36 HN GLU 36 22.969 4.399 -0.207 268 HA GLU 36 HA GLU 36 24.369 1.858 -0.669 269 HB2 GLU 36 1HB GLU 36 21.633 2.536 0.419 270 HB3 GLU 36 2HB GLU 36 22.299 0.889 0.306 271 HG2 GLU 36 1HG GLU 36 24.163 1.594 1.901 272 HG3 GLU 36 2HG GLU 36 23.381 3.191 1.878 273 H HIS 37 HN HIS 37 22.098 3.806 -2.369 274 HA HIS 37 HA HIS 37 21.678 1.555 -4.299 275 HB2 HIS 37 1HB HIS 37 19.581 3.521 -3.273 276 HB3 HIS 37 2HB HIS 37 19.354 2.438 -4.668 277 HD1 HIS 37 HD1 HIS 37 19.796 2.333 -0.930 278 HD2 HIS 37 HD2 HIS 37 18.589 -0.232 -3.989 279 HE1 HIS 37 HE1 HIS 37 18.914 0.397 0.200 280 H SER 38 HN SER 38 21.339 2.116 -6.453 281 HA SER 38 HA SER 38 22.954 4.384 -7.377 282 HB2 SER 38 1HB SER 38 22.566 3.649 -9.493 283 HB3 SER 38 2HB SER 38 22.920 2.254 -8.449 284 HG SER 38 HG SER 38 21.169 1.872 -9.874 285 H ARG 39 HN ARG 39 22.157 5.973 -8.907 286 HA ARG 39 HA ARG 39 19.671 7.212 -7.892 287 HB2 ARG 39 1HB ARG 39 21.761 8.210 -9.773 288 HB3 ARG 39 2HB ARG 39 20.291 9.094 -9.301 289 HG2 ARG 39 1HG ARG 39 21.026 9.062 -6.955 290 HG3 ARG 39 2HG ARG 39 22.498 8.179 -7.429 291 HD2 ARG 39 1HD ARG 39 21.750 10.927 -8.372 292 HD3 ARG 39 2HD ARG 39 22.848 10.564 -7.021 293 HE ARG 39 HE ARG 39 23.953 9.331 -9.392 294 HH11 ARG 39 1HH1 ARG 39 23.294 12.542 -8.205 295 HH12 ARG 39 2HH1 ARG 39 24.647 13.168 -9.127 296 HH21 ARG 39 1HH2 ARG 39 25.500 10.033 -10.460 297 HH22 ARG 39 2HH2 ARG 39 25.905 11.738 -10.414 298 H ILE 40 HN ILE 40 17.914 7.821 -9.086 299 HA ILE 40 HA ILE 40 17.184 6.098 -11.319 300 HB ILE 40 HB ILE 40 15.922 8.671 -10.264 301 HG12 ILE 40 1HG1 ILE 40 15.095 5.811 -9.845 302 HG13 ILE 40 2HG1 ILE 40 16.036 6.781 -8.687 303 HG21 ILE 40 1HG2 ILE 40 13.929 7.954 -11.539 304 HG22 ILE 40 2HG2 ILE 40 15.316 8.224 -12.619 305 HG23 ILE 40 3HG2 ILE 40 14.838 6.567 -12.183 306 HD11 ILE 40 3HD1 ILE 40 13.229 7.411 -9.669 307 HD12 ILE 40 1HD1 ILE 40 13.649 6.735 -8.078 308 HD13 ILE 40 2HD1 ILE 40 14.170 8.381 -8.511 309 HA PRO 41 HA PRO 41 19.205 8.100 -14.654 310 HB2 PRO 41 1HB PRO 41 16.808 6.894 -16.105 311 HB3 PRO 41 2HB PRO 41 18.522 6.789 -16.530 312 HG2 PRO 41 1HG PRO 41 17.313 4.678 -15.438 313 HG3 PRO 41 2HG PRO 41 18.956 5.095 -14.931 314 HD2 PRO 41 1HD PRO 41 16.333 5.574 -13.469 315 HD3 PRO 41 2HD PRO 41 17.909 5.124 -12.805 316 H ARG 42 HN ARG 42 19.012 9.911 -15.778 317 HA ARG 42 HA ARG 42 17.123 11.816 -14.751 318 HB2 ARG 42 1HB ARG 42 18.992 11.955 -17.070 319 HB3 ARG 42 2HB ARG 42 17.953 13.293 -16.524 320 HG2 ARG 42 1HG ARG 42 19.074 13.352 -14.379 321 HG3 ARG 42 2HG ARG 42 20.034 11.913 -14.802 322 HD2 ARG 42 1HD ARG 42 21.110 13.184 -16.577 323 HD3 ARG 42 2HD ARG 42 20.183 14.622 -16.086 324 HE ARG 42 HE ARG 42 21.728 13.849 -13.794 325 HH11 ARG 42 1HH1 ARG 42 22.399 14.845 -17.068 326 HH12 ARG 42 2HH1 ARG 42 23.907 15.569 -16.545 327 HH21 ARG 42 1HH2 ARG 42 23.456 14.665 -13.181 328 HH22 ARG 42 2HH2 ARG 42 24.512 15.465 -14.329 329 H SER 43 HN SER 43 17.158 9.833 -17.665 330 HA SER 43 HA SER 43 14.951 11.068 -19.071 331 HB2 SER 43 1HB SER 43 16.000 8.304 -19.123 332 HB3 SER 43 2HB SER 43 14.747 8.980 -20.189 333 HG SER 43 HG SER 43 16.846 9.110 -21.094 334 H GLN 44 HN GLN 44 15.163 8.515 -16.575 335 HA GLN 44 HA GLN 44 12.445 7.649 -16.745 336 HB2 GLN 44 1HB GLN 44 14.451 7.634 -14.485 337 HB3 GLN 44 2HB GLN 44 12.843 6.879 -14.379 338 HG2 GLN 44 1HG GLN 44 14.929 5.883 -16.508 339 HG3 GLN 44 2HG GLN 44 14.716 5.526 -14.779 340 HE21 GLN 44 2HE2 GLN 44 14.079 3.409 -15.012 341 HE22 GLN 44 1HE2 GLN 44 12.588 2.940 -15.760 342 H ILE 45 HN ILE 45 13.975 10.035 -14.578 343 HA ILE 45 HA ILE 45 11.448 10.750 -13.308 344 HB ILE 45 HB ILE 45 14.167 12.129 -13.434 345 HG12 ILE 45 1HG1 ILE 45 12.786 10.743 -11.152 346 HG13 ILE 45 2HG1 ILE 45 13.985 9.982 -12.224 347 HG21 ILE 45 1HG2 ILE 45 13.305 13.612 -11.654 348 HG22 ILE 45 2HG2 ILE 45 12.366 13.799 -13.154 349 HG23 ILE 45 3HG2 ILE 45 11.700 12.857 -11.800 350 HD11 ILE 45 3HD1 ILE 45 14.473 12.393 -10.440 351 HD12 ILE 45 1HD1 ILE 45 15.024 10.732 -10.121 352 HD13 ILE 45 2HD1 ILE 45 15.670 11.633 -11.512 353 H GLN 46 HN GLN 46 13.361 12.164 -15.935 354 HA GLN 46 HA GLN 46 11.836 14.519 -16.282 355 HB2 GLN 46 1HB GLN 46 13.953 14.020 -17.429 356 HB3 GLN 46 2HB GLN 46 13.126 12.768 -18.387 357 HG2 GLN 46 1HG GLN 46 11.664 14.795 -19.440 358 HG3 GLN 46 2HG GLN 46 12.693 15.622 -18.248 359 HE21 GLN 46 2HE2 GLN 46 12.648 16.457 -20.869 360 HE22 GLN 46 1HE2 GLN 46 14.155 16.074 -21.634 361 H ARG 47 HN ARG 47 11.164 11.223 -17.341 362 HA ARG 47 HA ARG 47 8.738 12.232 -18.779 363 HB2 ARG 47 1HB ARG 47 10.167 9.625 -19.057 364 HB3 ARG 47 2HB ARG 47 8.677 10.113 -19.898 365 HG2 ARG 47 1HG ARG 47 11.313 11.590 -20.132 366 HG3 ARG 47 2HG ARG 47 10.789 10.313 -21.258 367 HD2 ARG 47 1HD ARG 47 8.789 11.679 -21.748 368 HD3 ARG 47 2HD ARG 47 9.505 12.977 -20.764 369 HE ARG 47 HE ARG 47 11.392 12.379 -22.860 370 HH11 ARG 47 1HH1 ARG 47 8.135 13.600 -22.613 371 HH12 ARG 47 2HH1 ARG 47 8.373 14.546 -24.069 372 HH21 ARG 47 1HH2 ARG 47 11.677 13.450 -24.532 373 HH22 ARG 47 2HH2 ARG 47 10.393 14.461 -25.166 374 H ALA 48 HN ALA 48 9.446 11.321 -15.793 375 HA ALA 48 HA ALA 48 7.605 9.123 -15.376 376 HB1 ALA 48 3HB ALA 48 8.849 11.064 -13.398 377 HB2 ALA 48 1HB ALA 48 7.995 9.559 -12.982 378 HB3 ALA 48 2HB ALA 48 9.523 9.492 -13.892 379 H ARG 49 HN ARG 49 5.484 9.116 -15.088 380 HA ARG 49 HA ARG 49 3.963 11.571 -14.634 381 HB2 ARG 49 1HB ARG 49 3.248 8.685 -14.591 382 HB3 ARG 49 2HB ARG 49 2.129 9.971 -14.083 383 HG2 ARG 49 1HG ARG 49 2.500 11.027 -16.356 384 HG3 ARG 49 2HG ARG 49 3.346 9.531 -16.822 385 HD2 ARG 49 1HD ARG 49 1.376 8.255 -16.536 386 HD3 ARG 49 2HD ARG 49 0.514 9.647 -15.841 387 HE ARG 49 HE ARG 49 1.268 10.217 -18.618 388 HH11 ARG 49 1HH1 ARG 49 -1.019 8.374 -16.738 389 HH12 ARG 49 2HH1 ARG 49 -2.183 8.477 -18.044 390 HH21 ARG 49 1HH2 ARG 49 -0.051 10.336 -20.126 391 HH22 ARG 49 2HH2 ARG 49 -1.632 9.594 -19.977 392 HA PRO 50 HA PRO 50 4.060 11.960 -10.258 393 HB2 PRO 50 1HB PRO 50 1.334 12.317 -9.721 394 HB3 PRO 50 2HB PRO 50 2.355 13.616 -10.353 395 HG2 PRO 50 1HG PRO 50 0.505 11.740 -11.861 396 HG3 PRO 50 2HG PRO 50 0.697 13.489 -12.035 397 HD2 PRO 50 1HD PRO 50 1.896 11.836 -13.803 398 HD3 PRO 50 2HD PRO 50 2.757 13.275 -13.243 399 H VAL 51 HN VAL 51 2.036 9.591 -11.821 400 HA VAL 51 HA VAL 51 1.776 8.023 -9.293 401 HB VAL 51 HB VAL 51 0.451 6.479 -10.615 402 HG11 VAL 51 1HG1 VAL 51 -1.372 7.968 -11.372 403 HG12 VAL 51 2HG1 VAL 51 -0.700 8.517 -9.818 404 HG13 VAL 51 3HG1 VAL 51 -0.258 9.355 -11.325 405 HG21 VAL 51 3HG2 VAL 51 1.773 6.490 -12.646 406 HG22 VAL 51 1HG2 VAL 51 0.058 6.796 -13.005 407 HG23 VAL 51 2HG2 VAL 51 1.223 8.142 -13.017 408 H LYS 52 HN LYS 52 3.937 8.340 -11.911 409 HA LYS 52 HA LYS 52 4.905 5.541 -11.607 410 HB2 LYS 52 1HB LYS 52 5.652 7.783 -13.487 411 HB3 LYS 52 2HB LYS 52 6.436 6.186 -13.455 412 HG2 LYS 52 1HG LYS 52 4.273 5.126 -14.010 413 HG3 LYS 52 2HG LYS 52 3.513 6.734 -14.077 414 HD2 LYS 52 1HD LYS 52 5.025 7.379 -15.906 415 HD3 LYS 52 2HD LYS 52 5.801 5.780 -15.833 416 HE2 LYS 52 1HE LYS 52 3.644 4.719 -16.386 417 HE3 LYS 52 2HE LYS 52 2.890 6.326 -16.489 418 HZ1 LYS 52 3HZ LYS 52 5.085 5.349 -18.202 419 HZ2 LYS 52 1HZ LYS 52 3.505 5.492 -18.655 420 HZ3 LYS 52 2HZ LYS 52 4.385 6.841 -18.297 421 H MET 53 HN MET 53 5.700 8.801 -10.699 422 HA MET 53 HA MET 53 8.491 8.397 -10.136 423 HB2 MET 53 1HB MET 53 6.392 10.280 -9.093 424 HB3 MET 53 2HB MET 53 8.067 10.293 -8.492 425 HG2 MET 53 1HG MET 53 8.868 10.730 -10.785 426 HG3 MET 53 2HG MET 53 7.183 10.759 -11.357 427 HE1 MET 53 3HE MET 53 8.021 13.176 -12.444 428 HE2 MET 53 1HE MET 53 8.574 14.536 -11.436 429 HE3 MET 53 2HE MET 53 9.582 13.076 -11.592 430 H ALA 54 HN ALA 54 5.562 7.791 -8.255 431 HA ALA 54 HA ALA 54 6.865 7.099 -5.813 432 HB1 ALA 54 3HB ALA 54 4.278 6.033 -6.994 433 HB2 ALA 54 1HB ALA 54 4.795 5.863 -5.301 434 HB3 ALA 54 2HB ALA 54 4.446 7.476 -5.966 435 H THR 55 HN THR 55 6.014 5.143 -8.661 436 HA THR 55 HA THR 55 6.996 2.656 -7.579 437 HB THR 55 HB THR 55 6.706 3.562 -10.474 438 HG1 THR 55 HG1 THR 55 4.736 3.485 -9.257 439 HG21 THR 55 3HG2 THR 55 7.032 0.782 -9.276 440 HG22 THR 55 1HG2 THR 55 6.729 1.147 -10.991 441 HG23 THR 55 2HG2 THR 55 8.256 1.654 -10.229 442 H LEU 56 HN LEU 56 8.514 5.200 -9.536 443 HA LEU 56 HA LEU 56 10.946 3.765 -10.032 444 HB2 LEU 56 1HB LEU 56 10.207 6.604 -9.840 445 HB3 LEU 56 2HB LEU 56 11.855 6.197 -10.374 446 HG LEU 56 HG LEU 56 9.277 5.405 -11.783 447 HD11 LEU 56 1HD1 LEU 56 10.038 7.009 -13.556 448 HD12 LEU 56 2HD1 LEU 56 9.787 7.835 -12.002 449 HD13 LEU 56 3HD1 LEU 56 11.436 7.441 -12.543 450 HD21 LEU 56 3HD2 LEU 56 11.024 3.748 -12.065 451 HD22 LEU 56 1HD2 LEU 56 10.766 4.622 -13.593 452 HD23 LEU 56 2HD2 LEU 56 12.175 5.005 -12.575 453 H LEU 57 HN LEU 57 10.029 6.027 -7.447 454 HA LEU 57 HA LEU 57 12.635 6.070 -6.222 455 HB2 LEU 57 1HB LEU 57 9.884 6.545 -5.303 456 HB3 LEU 57 2HB LEU 57 11.217 6.868 -4.171 457 HG LEU 57 HG LEU 57 10.791 8.240 -6.854 458 HD11 LEU 57 1HD1 LEU 57 10.262 10.262 -5.467 459 HD12 LEU 57 2HD1 LEU 57 9.116 8.939 -5.145 460 HD13 LEU 57 3HD1 LEU 57 10.433 9.278 -3.995 461 HD21 LEU 57 3HD2 LEU 57 13.138 8.046 -6.276 462 HD22 LEU 57 1HD2 LEU 57 12.612 9.740 -6.123 463 HD23 LEU 57 2HD2 LEU 57 12.829 8.739 -4.666 464 H VAL 58 HN VAL 58 9.737 4.101 -5.621 465 HA VAL 58 HA VAL 58 10.895 2.611 -3.409 466 HB VAL 58 HB VAL 58 8.629 1.972 -5.341 467 HG11 VAL 58 1HG1 VAL 58 8.036 0.175 -3.750 468 HG12 VAL 58 2HG1 VAL 58 9.645 -0.102 -4.457 469 HG13 VAL 58 3HG1 VAL 58 9.497 0.532 -2.801 470 HG21 VAL 58 3HG2 VAL 58 8.183 3.869 -3.902 471 HG22 VAL 58 1HG2 VAL 58 7.191 2.470 -3.429 472 HG23 VAL 58 2HG2 VAL 58 8.623 2.910 -2.468 473 H THR 59 HN THR 59 10.921 2.165 -6.905 474 HA THR 59 HA THR 59 12.024 -0.525 -6.741 475 HB THR 59 HB THR 59 11.960 1.474 -9.042 476 HG1 THR 59 HG1 THR 59 10.216 0.092 -9.718 477 HG21 THR 59 3HG2 THR 59 12.566 -1.509 -9.015 478 HG22 THR 59 1HG2 THR 59 12.418 -0.491 -10.466 479 HG23 THR 59 2HG2 THR 59 13.746 -0.212 -9.314 480 H TYR 60 HN TYR 60 13.425 2.705 -7.308 481 HA TYR 60 HA TYR 60 16.036 1.462 -7.903 482 HB2 TYR 60 1HB TYR 60 14.887 4.234 -7.995 483 HB3 TYR 60 2HB TYR 60 16.650 3.984 -8.025 484 HD1 TYR 60 HD1 TYR 60 13.495 3.463 -9.873 485 HD2 TYR 60 HD2 TYR 60 17.737 3.039 -9.973 486 HE1 TYR 60 HE1 TYR 60 13.385 3.028 -12.309 487 HE2 TYR 60 HE2 TYR 60 17.647 2.604 -12.404 488 HH TYR 60 HH TYR 60 16.314 2.373 -14.238 489 H TYR 61 HN TYR 61 14.494 3.245 -5.294 490 HA TYR 61 HA TYR 61 17.109 3.240 -3.823 491 HB2 TYR 61 1HB TYR 61 14.655 4.963 -3.425 492 HB3 TYR 61 2HB TYR 61 16.161 5.036 -2.478 493 HD1 TYR 61 HD2 TYR 61 18.347 5.368 -3.992 494 HD2 TYR 61 HD1 TYR 61 14.403 6.521 -5.130 495 HE1 TYR 61 HE2 TYR 61 19.295 6.981 -5.607 496 HE2 TYR 61 HE1 TYR 61 15.336 8.142 -6.754 497 HH TYR 61 HH TYR 61 18.666 9.014 -6.840 498 H GLY 62 HN GLY 62 13.602 2.742 -3.424 499 HA2 GLY 62 1HA GLY 62 13.220 0.465 -2.286 500 HA3 GLY 62 2HA GLY 62 14.227 1.137 -0.983 501 H GLU 63 HN GLU 63 11.824 0.306 -0.216 502 HA GLU 63 HA GLU 63 9.629 2.112 -0.689 503 HB2 GLU 63 1HB GLU 63 10.174 0.091 1.488 504 HB3 GLU 63 2HB GLU 63 8.647 0.989 1.317 505 HG2 GLU 63 1HG GLU 63 8.259 -0.113 -0.916 506 HG3 GLU 63 2HG GLU 63 9.877 -0.823 -0.717 507 H GLU 64 HN GLU 64 11.830 1.749 2.100 508 HA GLU 64 HA GLU 64 10.698 3.950 3.572 509 HB2 GLU 64 1HB GLU 64 12.066 2.190 4.582 510 HB3 GLU 64 2HB GLU 64 13.473 2.753 3.649 511 HG2 GLU 64 1HG GLU 64 13.352 4.968 4.916 512 HG3 GLU 64 2HG GLU 64 11.949 4.250 5.740 513 H TYR 65 HN TYR 65 13.478 3.741 1.356 514 HA TYR 65 HA TYR 65 14.267 6.496 1.766 515 HB2 TYR 65 1HB TYR 65 14.826 4.565 -0.495 516 HB3 TYR 65 2HB TYR 65 15.612 6.146 -0.273 517 HD1 TYR 65 HD1 TYR 65 15.317 5.331 2.949 518 HD2 TYR 65 HD2 TYR 65 17.333 3.829 -0.496 519 HE1 TYR 65 HE1 TYR 65 17.018 4.281 4.413 520 HE2 TYR 65 HE2 TYR 65 19.039 2.775 0.950 521 HH TYR 65 HH TYR 65 19.717 2.365 3.087 522 H ALA 66 HN ALA 66 12.008 4.904 -0.393 523 HA ALA 66 HA ALA 66 11.646 7.061 -2.223 524 HB1 ALA 66 3HB ALA 66 9.654 4.973 -1.278 525 HB2 ALA 66 1HB ALA 66 9.474 6.007 -2.714 526 HB3 ALA 66 2HB ALA 66 10.782 4.803 -2.643 527 H VAL 67 HN VAL 67 10.016 6.299 0.852 528 HA VAL 67 HA VAL 67 8.237 8.606 0.754 529 HB VAL 67 HB VAL 67 9.188 6.862 3.064 530 HG11 VAL 67 1HG1 VAL 67 7.326 7.879 4.331 531 HG12 VAL 67 2HG1 VAL 67 8.519 9.109 3.847 532 HG13 VAL 67 3HG1 VAL 67 6.983 8.960 2.961 533 HG21 VAL 67 3HG2 VAL 67 7.873 5.653 1.427 534 HG22 VAL 67 1HG2 VAL 67 6.954 5.883 2.932 535 HG23 VAL 67 2HG2 VAL 67 6.597 6.892 1.511 536 H GLN 68 HN GLN 68 11.423 8.037 2.191 537 HA GLN 68 HA GLN 68 11.526 10.574 3.551 538 HB2 GLN 68 1HB GLN 68 13.663 8.688 2.546 539 HB3 GLN 68 2HB GLN 68 14.008 10.164 3.479 540 HG2 GLN 68 1HG GLN 68 12.612 9.038 5.491 541 HG3 GLN 68 2HG GLN 68 12.396 7.866 4.170 542 HE21 GLN 68 2HE2 GLN 68 13.406 7.249 6.755 543 HE22 GLN 68 1HE2 GLN 68 15.050 6.733 6.578 544 H LEU 69 HN LEU 69 12.523 9.530 0.317 545 HA LEU 69 HA LEU 69 13.811 12.036 -0.349 546 HB2 LEU 69 1HB LEU 69 12.970 9.587 -1.582 547 HB3 LEU 69 2HB LEU 69 13.058 10.897 -2.782 548 HG LEU 69 HG LEU 69 15.381 11.173 -2.485 549 HD11 LEU 69 1HD1 LEU 69 16.659 10.059 -0.635 550 HD12 LEU 69 2HD1 LEU 69 15.385 11.119 0.009 551 HD13 LEU 69 3HD1 LEU 69 15.141 9.357 -0.029 552 HD21 LEU 69 3HD2 LEU 69 14.842 9.182 -3.760 553 HD22 LEU 69 1HD2 LEU 69 16.340 8.923 -2.835 554 HD23 LEU 69 2HD2 LEU 69 14.811 8.203 -2.275 555 H THR 70 HN THR 70 10.580 10.706 -1.056 556 HA THR 70 HA THR 70 9.661 13.009 -2.508 557 HB THR 70 HB THR 70 8.090 10.948 -0.903 558 HG1 THR 70 HG1 THR 70 8.666 11.149 -3.699 559 HG21 THR 70 3HG2 THR 70 7.184 12.935 -3.024 560 HG22 THR 70 1HG2 THR 70 6.170 11.681 -2.272 561 HG23 THR 70 2HG2 THR 70 6.803 13.023 -1.289 562 H LEU 71 HN LEU 71 9.472 12.140 0.933 563 HA LEU 71 HA LEU 71 7.932 14.394 1.762 564 HB2 LEU 71 1HB LEU 71 8.304 12.507 3.046 565 HB3 LEU 71 2HB LEU 71 10.048 12.768 3.274 566 HG LEU 71 HG LEU 71 9.492 14.930 4.436 567 HD11 LEU 71 1HD1 LEU 71 7.146 15.195 5.286 568 HD12 LEU 71 2HD1 LEU 71 7.195 15.212 3.507 569 HD13 LEU 71 3HD1 LEU 71 6.667 13.748 4.370 570 HD21 LEU 71 3HD2 LEU 71 10.078 12.943 5.695 571 HD22 LEU 71 1HD2 LEU 71 8.828 13.865 6.564 572 HD23 LEU 71 2HD2 LEU 71 8.386 12.391 5.668 573 H GLN 72 HN GLN 72 11.451 13.988 1.434 574 HA GLN 72 HA GLN 72 12.132 16.588 2.433 575 HB2 GLN 72 1HB GLN 72 13.707 14.699 2.129 576 HB3 GLN 72 2HB GLN 72 13.553 14.894 0.367 577 HG2 GLN 72 1HG GLN 72 15.680 16.230 0.982 578 HG3 GLN 72 2HG GLN 72 14.179 17.121 0.638 579 HE21 GLN 72 2HE2 GLN 72 14.911 18.952 1.762 580 HE22 GLN 72 1HE2 GLN 72 14.990 18.993 3.493 581 H VAL 73 HN VAL 73 11.367 15.436 -0.835 582 HA VAL 73 HA VAL 73 11.949 18.008 -2.104 583 HB VAL 73 HB VAL 73 10.332 15.600 -3.037 584 HG11 VAL 73 1HG1 VAL 73 10.507 16.623 -5.280 585 HG12 VAL 73 2HG1 VAL 73 9.615 17.681 -4.161 586 HG13 VAL 73 3HG1 VAL 73 11.308 18.044 -4.570 587 HG21 VAL 73 3HG2 VAL 73 12.677 15.090 -2.705 588 HG22 VAL 73 1HG2 VAL 73 12.276 15.126 -4.438 589 HG23 VAL 73 2HG2 VAL 73 13.142 16.493 -3.697 590 H LEU 74 HN LEU 74 9.000 16.446 -0.911 591 HA LEU 74 HA LEU 74 7.181 18.471 -1.749 592 HB2 LEU 74 1HB LEU 74 7.356 16.629 0.526 593 HB3 LEU 74 2HB LEU 74 5.898 17.643 0.411 594 HG LEU 74 HG LEU 74 6.836 15.603 -1.646 595 HD11 LEU 74 1HD1 LEU 74 4.784 14.337 -0.953 596 HD12 LEU 74 2HD1 LEU 74 5.900 14.558 0.415 597 HD13 LEU 74 3HD1 LEU 74 4.449 15.580 0.274 598 HD21 LEU 74 3HD2 LEU 74 5.725 17.489 -2.687 599 HD22 LEU 74 1HD2 LEU 74 4.678 16.051 -2.763 600 HD23 LEU 74 2HD2 LEU 74 4.347 17.332 -1.570 601 H ARG 75 HN ARG 75 9.182 18.243 1.178 602 HA ARG 75 HA ARG 75 8.250 20.765 2.268 603 HB2 ARG 75 1HB ARG 75 10.682 19.134 2.828 604 HB3 ARG 75 2HB ARG 75 10.274 20.659 3.648 605 HG2 ARG 75 1HG ARG 75 8.247 19.694 4.548 606 HG3 ARG 75 2HG ARG 75 8.501 18.198 3.615 607 HD2 ARG 75 1HD ARG 75 10.490 17.732 4.908 608 HD3 ARG 75 2HD ARG 75 10.235 19.227 5.839 609 HE ARG 75 HE ARG 75 7.908 17.599 6.272 610 HH11 ARG 75 1HH1 ARG 75 11.333 17.330 6.868 611 HH12 ARG 75 2HH1 ARG 75 11.017 16.340 8.279 612 HH21 ARG 75 1HH2 ARG 75 7.529 16.459 7.880 613 HH22 ARG 75 2HH2 ARG 75 8.847 15.842 8.857 614 H ALA 76 HN ALA 76 10.797 19.837 0.027 615 HA ALA 76 HA ALA 76 12.167 22.359 0.051 616 HB1 ALA 76 3HB ALA 76 11.965 20.266 -2.143 617 HB2 ALA 76 1HB ALA 76 13.141 21.599 -2.082 618 HB3 ALA 76 2HB ALA 76 13.187 20.317 -0.849 619 H ILE 77 HN ILE 77 9.322 21.182 -1.643 620 HA ILE 77 HA ILE 77 9.198 23.706 -3.247 621 HB ILE 77 HB ILE 77 7.374 22.597 -4.468 622 HG12 ILE 77 1HG1 ILE 77 7.811 20.235 -2.661 623 HG13 ILE 77 2HG1 ILE 77 6.498 21.422 -2.482 624 HG21 ILE 77 1HG2 ILE 77 8.632 20.720 -5.467 625 HG22 ILE 77 2HG2 ILE 77 9.687 22.126 -5.201 626 HG23 ILE 77 3HG2 ILE 77 9.757 20.738 -4.089 627 HD11 ILE 77 3HD1 ILE 77 6.959 19.632 -4.894 628 HD12 ILE 77 1HD1 ILE 77 5.714 19.397 -3.646 629 HD13 ILE 77 2HD1 ILE 77 5.646 20.820 -4.714 630 H ASN 78 HN ASN 78 8.478 22.992 -0.234 631 HA ASN 78 HA ASN 78 7.145 24.136 1.288 632 HB2 ASN 78 1HB ASN 78 7.685 26.221 -0.498 633 HB3 ASN 78 2HB ASN 78 6.032 25.640 -0.815 634 HD21 ASN 78 2HD2 ASN 78 5.569 27.905 -0.265 635 HD22 ASN 78 1HD2 ASN 78 5.299 28.299 1.401 636 H GLN 79 HN GLN 79 6.132 21.806 0.093 637 HA GLN 79 HA GLN 79 3.208 22.445 0.261 638 HB2 GLN 79 1HB GLN 79 4.702 20.050 -0.820 639 HB3 GLN 79 2HB GLN 79 2.943 20.083 -0.552 640 HG2 GLN 79 1HG GLN 79 4.397 21.857 -2.705 641 HG3 GLN 79 2HG GLN 79 3.461 20.345 -2.691 642 HE21 GLN 79 2HE2 GLN 79 3.308 23.633 -3.175 643 HE22 GLN 79 1HE2 GLN 79 1.611 23.879 -2.931 644 H ARG 80 HN ARG 80 3.458 22.784 2.542 645 HA ARG 80 HA ARG 80 4.351 20.687 4.302 646 HB2 ARG 80 1HB ARG 80 4.287 22.959 4.998 647 HB3 ARG 80 2HB ARG 80 2.515 22.978 4.840 648 HG2 ARG 80 1HG ARG 80 2.288 21.362 6.629 649 HG3 ARG 80 2HG ARG 80 4.057 21.178 6.732 650 HD2 ARG 80 1HD ARG 80 4.291 23.400 7.539 651 HD3 ARG 80 2HD ARG 80 2.556 23.713 7.299 652 HE ARG 80 HE ARG 80 2.765 21.595 9.244 653 HH11 ARG 80 1HH1 ARG 80 3.689 24.948 8.993 654 HH12 ARG 80 2HH1 ARG 80 3.505 25.134 10.726 655 HH21 ARG 80 1HH2 ARG 80 2.555 21.791 11.231 656 HH22 ARG 80 2HH2 ARG 80 2.858 23.335 12.004 657 H LEU 81 HN LEU 81 1.192 21.491 2.927 658 HA LEU 81 HA LEU 81 -0.410 19.726 4.446 659 HB2 LEU 81 1HB LEU 81 -1.274 21.284 3.023 660 HB3 LEU 81 2HB LEU 81 -0.621 20.600 1.516 661 HG LEU 81 HG LEU 81 -2.006 18.537 1.965 662 HD11 LEU 81 1HD1 LEU 81 -3.938 18.801 3.544 663 HD12 LEU 81 2HD1 LEU 81 -2.382 18.931 4.398 664 HD13 LEU 81 3HD1 LEU 81 -3.313 20.399 4.016 665 HD21 LEU 81 3HD2 LEU 81 -2.688 20.189 0.327 666 HD22 LEU 81 1HD2 LEU 81 -4.117 19.542 1.167 667 HD23 LEU 81 2HD2 LEU 81 -3.488 21.153 1.590 668 H LEU 82 HN LEU 82 1.278 19.037 1.370 669 HA LEU 82 HA LEU 82 0.458 16.244 1.436 670 HB2 LEU 82 1HB LEU 82 2.471 17.788 -0.060 671 HB3 LEU 82 2HB LEU 82 2.165 16.093 -0.504 672 HG LEU 82 HG LEU 82 0.185 18.398 -0.667 673 HD11 LEU 82 1HD1 LEU 82 0.313 17.980 -3.138 674 HD12 LEU 82 2HD1 LEU 82 1.904 18.415 -2.472 675 HD13 LEU 82 3HD1 LEU 82 1.529 16.715 -2.845 676 HD21 LEU 82 3HD2 LEU 82 -0.926 16.335 -0.040 677 HD22 LEU 82 1HD2 LEU 82 -1.339 16.761 -1.717 678 HD23 LEU 82 2HD2 LEU 82 -0.152 15.474 -1.390 679 H ALA 83 HN ALA 83 3.234 18.049 2.565 680 HA ALA 83 HA ALA 83 4.948 15.793 3.015 681 HB1 ALA 83 3HB ALA 83 4.805 18.458 4.468 682 HB2 ALA 83 1HB ALA 83 6.144 17.291 4.565 683 HB3 ALA 83 2HB ALA 83 5.780 18.101 3.022 684 H GLU 84 HN GLU 84 2.509 17.401 5.044 685 HA GLU 84 HA GLU 84 2.976 15.640 7.320 686 HB2 GLU 84 1HB GLU 84 0.753 17.534 6.562 687 HB3 GLU 84 2HB GLU 84 0.755 16.571 8.060 688 HG2 GLU 84 1HG GLU 84 2.907 17.756 8.752 689 HG3 GLU 84 2HG GLU 84 2.765 18.610 7.199 690 H GLU 85 HN GLU 85 0.783 15.648 4.555 691 HA GLU 85 HA GLU 85 -0.833 13.430 5.433 692 HB2 GLU 85 1HB GLU 85 -0.148 14.571 2.730 693 HB3 GLU 85 2HB GLU 85 -1.211 13.158 2.938 694 HG2 GLU 85 1HG GLU 85 -1.769 15.994 3.999 695 HG3 GLU 85 2HG GLU 85 -2.485 15.119 2.625 696 H LEU 86 HN LEU 86 2.165 13.618 3.536 697 HA LEU 86 HA LEU 86 2.342 10.749 3.147 698 HB2 LEU 86 1HB LEU 86 3.365 12.273 1.753 699 HB3 LEU 86 2HB LEU 86 4.451 12.970 2.978 700 HG LEU 86 HG LEU 86 5.534 10.734 3.223 701 HD11 LEU 86 1HD1 LEU 86 5.113 9.025 1.435 702 HD12 LEU 86 2HD1 LEU 86 3.639 9.353 2.375 703 HD13 LEU 86 3HD1 LEU 86 3.842 10.069 0.758 704 HD21 LEU 86 3HD2 LEU 86 6.543 12.437 1.823 705 HD22 LEU 86 1HD2 LEU 86 6.807 10.828 1.108 706 HD23 LEU 86 2HD2 LEU 86 5.567 11.911 0.430 707 H HIS 87 HN HIS 87 3.667 12.999 5.552 708 HA HIS 87 HA HIS 87 5.199 11.126 7.038 709 HB2 HIS 87 1HB HIS 87 5.302 13.530 7.522 710 HB3 HIS 87 2HB HIS 87 3.592 13.529 8.014 711 HD1 HIS 87 HD1 HIS 87 6.944 12.087 9.083 712 HD2 HIS 87 HD2 HIS 87 3.208 13.057 10.773 713 HE1 HIS 87 HE1 HIS 87 7.163 11.679 11.482 714 H ARG 88 HN ARG 88 1.748 11.967 7.345 715 HA ARG 88 HA ARG 88 1.267 10.048 9.462 716 HB2 ARG 88 1HB ARG 88 -0.567 11.497 7.614 717 HB3 ARG 88 2HB ARG 88 -1.106 10.334 8.848 718 HG2 ARG 88 1HG ARG 88 -0.154 11.718 10.611 719 HG3 ARG 88 2HG ARG 88 0.485 12.857 9.402 720 HD2 ARG 88 1HD ARG 88 -1.759 13.441 8.750 721 HD3 ARG 88 2HD ARG 88 -2.413 12.279 9.929 722 HE ARG 88 HE ARG 88 -0.887 14.216 11.422 723 HH11 ARG 88 1HH1 ARG 88 -3.729 14.195 9.402 724 HH12 ARG 88 2HH1 ARG 88 -4.398 15.530 10.319 725 HH21 ARG 88 1HH2 ARG 88 -1.635 15.751 12.476 726 HH22 ARG 88 2HH2 ARG 88 -3.204 16.420 12.072 727 H ALA 89 HN ALA 89 1.128 9.907 5.940 728 HA ALA 89 HA ALA 89 -0.053 7.297 5.788 729 HB1 ALA 89 3HB ALA 89 1.846 8.694 3.873 730 HB2 ALA 89 1HB ALA 89 0.874 7.250 3.506 731 HB3 ALA 89 2HB ALA 89 0.071 8.800 3.853 732 H ALA 90 HN ALA 90 3.273 8.416 6.196 733 HA ALA 90 HA ALA 90 4.454 5.791 5.966 734 HB1 ALA 90 3HB ALA 90 5.464 8.291 7.365 735 HB2 ALA 90 1HB ALA 90 6.431 6.844 6.995 736 HB3 ALA 90 2HB ALA 90 5.774 7.839 5.672 737 H ILE 91 HN ILE 91 3.106 7.664 8.641 738 HA ILE 91 HA ILE 91 3.832 5.800 10.734 739 HB ILE 91 HB ILE 91 1.537 7.791 10.466 740 HG12 ILE 91 1HG1 ILE 91 4.005 7.901 12.175 741 HG13 ILE 91 2HG1 ILE 91 3.866 8.641 10.563 742 HG21 ILE 91 1HG2 ILE 91 1.188 7.451 12.889 743 HG22 ILE 91 2HG2 ILE 91 0.905 5.946 11.983 744 HG23 ILE 91 3HG2 ILE 91 2.421 6.169 12.888 745 HD11 ILE 91 3HD1 ILE 91 2.152 9.312 12.981 746 HD12 ILE 91 1HD1 ILE 91 3.482 10.303 12.341 747 HD13 ILE 91 2HD1 ILE 91 2.013 10.051 11.369 748 H GLN 92 HN GLN 92 0.998 6.013 8.613 749 HA GLN 92 HA GLN 92 -0.252 3.663 9.775 750 HB2 GLN 92 1HB GLN 92 -0.587 5.092 7.132 751 HB3 GLN 92 2HB GLN 92 -1.572 3.700 7.642 752 HG2 GLN 92 1HG GLN 92 -2.422 5.264 9.680 753 HG3 GLN 92 2HG GLN 92 -1.224 6.296 8.863 754 HE21 GLN 92 2HE2 GLN 92 -3.869 7.097 9.354 755 HE22 GLN 92 1HE2 GLN 92 -4.691 7.258 7.838 756 H LEU 93 HN LEU 93 2.070 4.216 7.199 757 HA LEU 93 HA LEU 93 1.957 1.675 5.940 758 HB2 LEU 93 1HB LEU 93 3.111 3.531 5.149 759 HB3 LEU 93 2HB LEU 93 4.367 3.516 6.408 760 HG LEU 93 HG LEU 93 4.946 1.162 5.595 761 HD11 LEU 93 1HD1 LEU 93 4.308 0.663 3.220 762 HD12 LEU 93 2HD1 LEU 93 2.871 0.791 4.262 763 HD13 LEU 93 3HD1 LEU 93 3.318 2.141 3.192 764 HD21 LEU 93 3HD2 LEU 93 6.364 3.080 5.161 765 HD22 LEU 93 1HD2 LEU 93 6.347 2.004 3.742 766 HD23 LEU 93 2HD2 LEU 93 5.395 3.510 3.731 Start of MODEL 10 1 H THR 4 1H THR 4 0.446 -0.942 0.954 2 HA THR 4 HA THR 4 2.750 -0.285 2.513 3 HB THR 4 HB THR 4 4.049 -0.617 0.483 4 HG1 THR 4 HG1 THR 4 1.523 -0.302 -0.798 5 HG21 THR 4 3HG2 THR 4 1.647 -2.486 0.537 6 HG22 THR 4 1HG2 THR 4 3.219 -2.834 -0.222 7 HG23 THR 4 2HG2 THR 4 3.105 -2.639 1.545 8 HA PRO 5 HA PRO 5 3.531 3.988 2.125 9 HB2 PRO 5 1HB PRO 5 6.229 3.236 0.930 10 HB3 PRO 5 2HB PRO 5 5.889 4.294 2.306 11 HG2 PRO 5 1HG PRO 5 6.845 1.847 2.749 12 HG3 PRO 5 2HG PRO 5 5.568 2.479 3.797 13 HD2 PRO 5 1HD PRO 5 5.341 0.466 1.523 14 HD3 PRO 5 2HD PRO 5 4.512 0.474 3.085 15 H SER 6 HN SER 6 4.265 1.924 -0.639 16 HA SER 6 HA SER 6 4.568 4.009 -2.624 17 HB2 SER 6 1HB SER 6 4.429 2.401 -4.202 18 HB3 SER 6 2HB SER 6 5.347 1.743 -2.827 19 HG SER 6 HG SER 6 3.360 0.709 -2.191 20 H ASP 7 HN ASP 7 1.787 2.498 -1.080 21 HA ASP 7 HA ASP 7 -0.136 3.249 -3.135 22 HB2 ASP 7 1HB ASP 7 -0.598 2.434 -0.202 23 HB3 ASP 7 2HB ASP 7 -1.759 2.776 -1.509 24 H HIS 8 HN HIS 8 1.257 4.822 -0.351 25 HA HIS 8 HA HIS 8 -0.672 7.061 -0.534 26 HB2 HIS 8 1HB HIS 8 1.812 6.642 1.191 27 HB3 HIS 8 2HB HIS 8 0.734 8.054 1.282 28 HD1 HIS 8 HD1 HIS 8 0.964 4.461 2.225 29 HD2 HIS 8 HD2 HIS 8 -1.813 7.549 2.616 30 HE1 HIS 8 HE1 HIS 8 -0.650 3.642 3.812 31 H LEU 9 HN LEU 9 2.592 6.251 -1.541 32 HA LEU 9 HA LEU 9 3.361 8.939 -2.267 33 HB2 LEU 9 1HB LEU 9 4.163 6.241 -3.124 34 HB3 LEU 9 2HB LEU 9 5.085 7.640 -3.724 35 HG LEU 9 HG LEU 9 4.791 6.820 -0.807 36 HD11 LEU 9 1HD1 LEU 9 7.224 6.231 -0.976 37 HD12 LEU 9 2HD1 LEU 9 6.244 5.260 -2.099 38 HD13 LEU 9 3HD1 LEU 9 7.187 6.641 -2.706 39 HD21 LEU 9 3HD2 LEU 9 5.012 9.220 -1.076 40 HD22 LEU 9 1HD2 LEU 9 6.506 8.546 -0.383 41 HD23 LEU 9 2HD2 LEU 9 6.449 9.002 -2.103 42 H LEU 10 HN LEU 10 1.676 6.347 -3.964 43 HA LEU 10 HA LEU 10 1.679 7.552 -6.559 44 HB2 LEU 10 1HB LEU 10 -0.150 5.804 -5.068 45 HB3 LEU 10 2HB LEU 10 -0.547 6.162 -6.765 46 HG LEU 10 HG LEU 10 1.998 4.803 -5.802 47 HD11 LEU 10 1HD1 LEU 10 1.021 2.739 -6.841 48 HD12 LEU 10 2HD1 LEU 10 -0.005 3.345 -5.521 49 HD13 LEU 10 3HD1 LEU 10 -0.462 3.648 -7.214 50 HD21 LEU 10 3HD2 LEU 10 2.320 6.079 -7.838 51 HD22 LEU 10 1HD2 LEU 10 2.376 4.337 -8.198 52 HD23 LEU 10 2HD2 LEU 10 0.920 5.283 -8.593 53 H SER 11 HN SER 11 -0.495 7.960 -3.785 54 HA SER 11 HA SER 11 -2.367 9.733 -5.220 55 HB2 SER 11 1HB SER 11 -3.473 9.964 -3.240 56 HB3 SER 11 2HB SER 11 -3.056 8.252 -3.489 57 HG SER 11 HG SER 11 -2.679 8.956 -1.342 58 H THR 12 HN THR 12 0.604 10.053 -3.365 59 HA THR 12 HA THR 12 0.311 12.767 -2.507 60 HB THR 12 HB THR 12 2.833 11.220 -3.238 61 HG1 THR 12 HG1 THR 12 1.543 11.702 -0.729 62 HG21 THR 12 3HG2 THR 12 2.459 13.770 -1.617 63 HG22 THR 12 1HG2 THR 12 3.992 12.895 -1.841 64 HG23 THR 12 2HG2 THR 12 3.194 13.665 -3.234 65 H LEU 13 HN LEU 13 1.846 11.435 -5.443 66 HA LEU 13 HA LEU 13 2.234 14.177 -6.473 67 HB2 LEU 13 1HB LEU 13 2.761 11.471 -7.511 68 HB3 LEU 13 2HB LEU 13 3.290 12.894 -8.438 69 HG LEU 13 HG LEU 13 4.286 12.012 -5.702 70 HD11 LEU 13 1HD1 LEU 13 6.477 11.759 -6.896 71 HD12 LEU 13 2HD1 LEU 13 5.226 10.719 -7.615 72 HD13 LEU 13 3HD1 LEU 13 5.687 12.241 -8.416 73 HD21 LEU 13 3HD2 LEU 13 4.130 14.428 -5.803 74 HD22 LEU 13 1HD2 LEU 13 5.838 13.929 -5.841 75 HD23 LEU 13 2HD2 LEU 13 5.028 14.452 -7.338 76 H GLU 14 HN GLU 14 -0.051 11.602 -6.742 77 HA GLU 14 HA GLU 14 -1.288 12.435 -9.212 78 HB2 GLU 14 1HB GLU 14 -1.694 10.271 -8.137 79 HB3 GLU 14 2HB GLU 14 -2.475 11.105 -6.772 80 HG2 GLU 14 1HG GLU 14 -4.274 11.934 -8.379 81 HG3 GLU 14 2HG GLU 14 -3.351 11.069 -9.630 82 H GLU 15 HN GLU 15 -1.837 13.344 -5.817 83 HA GLU 15 HA GLU 15 -3.957 15.232 -6.553 84 HB2 GLU 15 1HB GLU 15 -2.418 14.749 -4.000 85 HB3 GLU 15 2HB GLU 15 -3.738 15.931 -4.175 86 HG2 GLU 15 1HG GLU 15 -5.330 14.025 -4.695 87 HG3 GLU 15 2HG GLU 15 -3.901 12.973 -4.577 88 H LEU 16 HN LEU 16 -0.496 15.336 -6.080 89 HA LEU 16 HA LEU 16 -0.224 18.184 -5.865 90 HB2 LEU 16 1HB LEU 16 1.426 16.616 -5.350 91 HB3 LEU 16 2HB LEU 16 1.703 16.099 -7.029 92 HG LEU 16 HG LEU 16 2.363 18.464 -7.568 93 HD11 LEU 16 1HD1 LEU 16 2.982 19.946 -5.642 94 HD12 LEU 16 2HD1 LEU 16 1.245 19.562 -5.629 95 HD13 LEU 16 3HD1 LEU 16 2.351 18.722 -4.516 96 HD21 LEU 16 3HD2 LEU 16 4.038 16.747 -7.217 97 HD22 LEU 16 1HD2 LEU 16 4.614 18.299 -6.564 98 HD23 LEU 16 2HD2 LEU 16 4.011 17.038 -5.462 99 H VAL 17 HN VAL 17 -0.498 19.774 -7.209 100 HA VAL 17 HA VAL 17 -1.602 19.234 -9.866 101 HB VAL 17 HB VAL 17 -1.694 21.671 -10.084 102 HG11 VAL 17 1HG1 VAL 17 -3.107 22.193 -8.123 103 HG12 VAL 17 2HG1 VAL 17 -3.458 20.565 -8.750 104 HG13 VAL 17 3HG1 VAL 17 -2.470 20.760 -7.284 105 HG21 VAL 17 3HG2 VAL 17 0.458 22.223 -9.119 106 HG22 VAL 17 1HG2 VAL 17 -0.843 23.151 -8.336 107 HG23 VAL 17 2HG2 VAL 17 -0.125 21.752 -7.504 108 HA PRO 18 HA PRO 18 1.750 19.124 -12.527 109 HB2 PRO 18 1HB PRO 18 0.360 21.320 -14.121 110 HB3 PRO 18 2HB PRO 18 0.938 19.745 -14.684 111 HG2 PRO 18 1HG PRO 18 -1.675 20.118 -14.316 112 HG3 PRO 18 2HG PRO 18 -0.939 18.591 -13.810 113 HD2 PRO 18 1HD PRO 18 -1.787 20.955 -12.093 114 HD3 PRO 18 2HD PRO 18 -1.920 19.227 -11.745 115 H TYR 19 HN TYR 19 0.659 22.316 -11.493 116 HA TYR 19 HA TYR 19 2.942 23.765 -12.438 117 HB2 TYR 19 1HB TYR 19 0.896 24.867 -11.774 118 HB3 TYR 19 2HB TYR 19 1.082 24.266 -10.108 119 HD1 TYR 19 HD1 TYR 19 2.796 26.398 -12.665 120 HD2 TYR 19 HD2 TYR 19 2.195 25.585 -8.523 121 HE1 TYR 19 HE1 TYR 19 4.102 28.422 -12.086 122 HE2 TYR 19 HE2 TYR 19 3.495 27.600 -7.927 123 HH TYR 19 HH TYR 19 4.856 29.768 -10.415 124 H ASP 20 HN ASP 20 2.270 22.347 -9.230 125 HA ASP 20 HA ASP 20 5.053 22.969 -8.405 126 HB2 ASP 20 1HB ASP 20 2.734 21.722 -6.807 127 HB3 ASP 20 2HB ASP 20 4.416 22.069 -6.335 128 H PHE 21 HN PHE 21 3.242 20.370 -9.721 129 HA PHE 21 HA PHE 21 4.977 18.220 -8.852 130 HB2 PHE 21 1HB PHE 21 2.758 17.740 -9.786 131 HB3 PHE 21 2HB PHE 21 3.218 18.499 -11.327 132 HD1 PHE 21 HD1 PHE 21 4.187 15.736 -9.024 133 HD2 PHE 21 HD2 PHE 21 4.069 17.226 -13.026 134 HE1 PHE 21 HE1 PHE 21 4.992 13.553 -9.858 135 HE2 PHE 21 HE2 PHE 21 4.872 15.043 -13.865 136 HZ PHE 21 HZ PHE 21 5.335 13.206 -12.279 137 H GLU 22 HN GLU 22 4.990 20.383 -11.676 138 HA GLU 22 HA GLU 22 7.365 19.322 -12.879 139 HB2 GLU 22 1HB GLU 22 5.781 20.920 -13.927 140 HB3 GLU 22 2HB GLU 22 6.390 22.182 -12.828 141 HG2 GLU 22 1HG GLU 22 7.594 22.516 -14.937 142 HG3 GLU 22 2HG GLU 22 8.643 21.731 -13.735 143 H LYS 23 HN LYS 23 6.887 21.714 -10.306 144 HA LYS 23 HA LYS 23 9.712 22.282 -9.984 145 HB2 LYS 23 1HB LYS 23 7.353 22.528 -8.114 146 HB3 LYS 23 2HB LYS 23 8.998 23.096 -7.742 147 HG2 LYS 23 1HG LYS 23 8.890 24.640 -9.668 148 HG3 LYS 23 2HG LYS 23 7.232 24.088 -10.006 149 HD2 LYS 23 1HD LYS 23 6.580 24.841 -7.707 150 HD3 LYS 23 2HD LYS 23 8.212 25.526 -7.518 151 HE2 LYS 23 1HE LYS 23 7.825 26.954 -9.495 152 HE3 LYS 23 2HE LYS 23 6.179 26.294 -9.635 153 HZ1 LYS 23 3HZ LYS 23 7.222 27.821 -7.336 154 HZ2 LYS 23 1HZ LYS 23 6.195 28.404 -8.488 155 HZ3 LYS 23 2HZ LYS 23 5.696 27.207 -7.467 156 H PHE 24 HN PHE 24 7.501 19.899 -8.582 157 HA PHE 24 HA PHE 24 9.290 18.827 -6.633 158 HB2 PHE 24 1HB PHE 24 6.845 18.271 -6.807 159 HB3 PHE 24 2HB PHE 24 7.204 17.316 -8.262 160 HD1 PHE 24 HD2 PHE 24 8.580 15.284 -8.096 161 HD2 PHE 24 HD1 PHE 24 7.252 17.434 -4.651 162 HE1 PHE 24 HE2 PHE 24 9.038 13.304 -6.687 163 HE2 PHE 24 HE1 PHE 24 7.711 15.458 -3.239 164 HZ PHE 24 HZ PHE 24 8.604 13.392 -4.257 165 H LYS 25 HN LYS 25 8.823 17.956 -10.058 166 HA LYS 25 HA LYS 25 10.820 15.894 -10.097 167 HB2 LYS 25 1HB LYS 25 9.756 17.722 -12.252 168 HB3 LYS 25 2HB LYS 25 10.873 16.368 -12.547 169 HG2 LYS 25 1HG LYS 25 9.174 14.809 -11.614 170 HG3 LYS 25 2HG LYS 25 8.053 16.180 -11.435 171 HD2 LYS 25 1HD LYS 25 9.272 15.205 -14.043 172 HD3 LYS 25 2HD LYS 25 7.608 14.890 -13.494 173 HE2 LYS 25 1HE LYS 25 7.192 17.333 -13.447 174 HE3 LYS 25 2HE LYS 25 8.833 17.605 -14.074 175 HZ1 LYS 25 3HZ LYS 25 6.691 16.125 -15.461 176 HZ2 LYS 25 1HZ LYS 25 7.192 17.654 -15.827 177 HZ3 LYS 25 2HZ LYS 25 8.215 16.376 -16.044 178 H PHE 26 HN PHE 26 11.005 19.391 -10.662 179 HA PHE 26 HA PHE 26 13.736 19.439 -11.526 180 HB2 PHE 26 1HB PHE 26 12.265 21.381 -11.822 181 HB3 PHE 26 2HB PHE 26 12.096 21.552 -10.061 182 HD1 PHE 26 HD1 PHE 26 14.543 21.694 -12.844 183 HD2 PHE 26 HD2 PHE 26 13.605 22.796 -8.825 184 HE1 PHE 26 HE1 PHE 26 16.499 23.204 -12.804 185 HE2 PHE 26 HE2 PHE 26 15.560 24.309 -8.781 186 HZ PHE 26 HZ PHE 26 17.008 24.511 -10.771 187 H LYS 27 HN LYS 27 12.285 19.504 -8.296 188 HA LYS 27 HA LYS 27 14.910 19.947 -7.031 189 HB2 LYS 27 1HB LYS 27 12.166 19.355 -5.910 190 HB3 LYS 27 2HB LYS 27 13.621 19.676 -4.935 191 HG2 LYS 27 1HG LYS 27 12.332 21.611 -6.892 192 HG3 LYS 27 2HG LYS 27 12.165 21.667 -5.122 193 HD2 LYS 27 1HD LYS 27 14.625 21.938 -4.924 194 HD3 LYS 27 2HD LYS 27 14.744 21.958 -6.700 195 HE2 LYS 27 1HE LYS 27 13.299 23.949 -6.771 196 HE3 LYS 27 2HE LYS 27 13.188 23.930 -4.996 197 HZ1 LYS 27 3HZ LYS 27 15.665 24.299 -6.556 198 HZ2 LYS 27 1HZ LYS 27 14.842 25.491 -5.768 199 HZ3 LYS 27 2HZ LYS 27 15.563 24.281 -4.909 200 H LEU 28 HN LEU 28 12.845 17.265 -7.855 201 HA LEU 28 HA LEU 28 14.108 15.356 -6.069 202 HB2 LEU 28 1HB LEU 28 11.978 15.078 -6.908 203 HB3 LEU 28 2HB LEU 28 12.447 14.980 -8.621 204 HG LEU 28 HG LEU 28 13.797 12.930 -8.039 205 HD11 LEU 28 1HD1 LEU 28 13.205 11.758 -5.902 206 HD12 LEU 28 2HD1 LEU 28 13.956 13.338 -5.585 207 HD13 LEU 28 3HD1 LEU 28 12.193 13.145 -5.440 208 HD21 LEU 28 3HD2 LEU 28 11.636 12.754 -9.123 209 HD22 LEU 28 1HD2 LEU 28 11.845 11.418 -7.967 210 HD23 LEU 28 2HD2 LEU 28 10.809 12.804 -7.548 211 H GLN 29 HN GLN 29 14.603 16.258 -9.471 212 HA GLN 29 HA GLN 29 16.626 14.226 -9.912 213 HB2 GLN 29 1HB GLN 29 16.962 15.233 -12.003 214 HB3 GLN 29 2HB GLN 29 15.219 15.364 -11.662 215 HG2 GLN 29 1HG GLN 29 15.742 17.947 -10.991 216 HG3 GLN 29 2HG GLN 29 17.346 17.303 -11.412 217 HE21 GLN 29 2HE2 GLN 29 16.246 19.577 -12.625 218 HE22 GLN 29 1HE2 GLN 29 15.923 19.221 -14.288 219 H ASN 30 HN ASN 30 16.648 17.272 -8.350 220 HA ASN 30 HA ASN 30 19.602 17.511 -8.568 221 HB2 ASN 30 1HB ASN 30 17.653 19.419 -7.067 222 HB3 ASN 30 2HB ASN 30 19.418 19.235 -7.205 223 HD21 ASN 30 2HD2 ASN 30 17.356 21.298 -8.075 224 HD22 ASN 30 1HD2 ASN 30 17.757 21.611 -9.731 225 H THR 31 HN THR 31 17.364 15.846 -6.695 226 HA THR 31 HA THR 31 18.676 16.012 -4.120 227 HB THR 31 HB THR 31 16.934 13.784 -5.257 228 HG1 THR 31 HG1 THR 31 16.262 16.079 -3.684 229 HG21 THR 31 3HG2 THR 31 17.639 14.547 -2.396 230 HG22 THR 31 1HG2 THR 31 16.511 13.260 -2.880 231 HG23 THR 31 2HG2 THR 31 18.242 13.120 -3.268 232 H SER 32 HN SER 32 20.212 14.848 -3.173 233 HA SER 32 HA SER 32 22.264 13.635 -4.849 234 HB2 SER 32 1HB SER 32 23.455 13.280 -2.946 235 HB3 SER 32 2HB SER 32 22.700 14.889 -2.864 236 HG SER 32 HG SER 32 22.543 13.733 -0.894 237 H VAL 33 HN VAL 33 23.169 11.465 -4.266 238 HA VAL 33 HA VAL 33 21.049 9.414 -3.707 239 HB VAL 33 HB VAL 33 21.220 9.625 -6.180 240 HG11 VAL 33 1HG1 VAL 33 23.342 9.018 -7.293 241 HG12 VAL 33 2HG1 VAL 33 23.537 10.479 -6.298 242 HG13 VAL 33 3HG1 VAL 33 24.143 8.913 -5.709 243 HG21 VAL 33 3HG2 VAL 33 20.719 7.472 -5.189 244 HG22 VAL 33 1HG2 VAL 33 21.713 7.279 -6.653 245 HG23 VAL 33 2HG2 VAL 33 22.457 7.113 -5.044 246 H GLN 34 HN GLN 34 21.629 7.668 -2.657 247 HA GLN 34 HA GLN 34 24.300 7.753 -1.405 248 HB2 GLN 34 1HB GLN 34 21.997 5.819 -1.067 249 HB3 GLN 34 2HB GLN 34 23.464 5.896 -0.062 250 HG2 GLN 34 1HG GLN 34 21.196 8.071 -0.019 251 HG3 GLN 34 2HG GLN 34 21.764 6.744 1.022 252 HE21 GLN 34 2HE2 GLN 34 21.988 10.040 0.316 253 HE22 GLN 34 1HE2 GLN 34 23.416 10.407 1.227 254 H LYS 35 HN LYS 35 25.662 5.894 -1.222 255 HA LYS 35 HA LYS 35 26.048 4.601 -3.825 256 HB2 LYS 35 1HB LYS 35 27.446 4.320 -1.162 257 HB3 LYS 35 2HB LYS 35 27.934 3.484 -2.655 258 HG2 LYS 35 1HG LYS 35 28.355 5.653 -3.737 259 HG3 LYS 35 2HG LYS 35 27.860 6.494 -2.248 260 HD2 LYS 35 1HD LYS 35 29.703 5.427 -1.022 261 HD3 LYS 35 2HD LYS 35 30.193 4.563 -2.499 262 HE2 LYS 35 1HE LYS 35 30.619 6.711 -3.615 263 HE3 LYS 35 2HE LYS 35 30.127 7.576 -2.141 264 HZ1 LYS 35 3HZ LYS 35 32.422 5.735 -2.363 265 HZ2 LYS 35 1HZ LYS 35 32.515 7.381 -2.302 266 HZ3 LYS 35 2HZ LYS 35 31.966 6.537 -0.996 267 H GLU 36 HN GLU 36 24.285 3.890 -0.993 268 HA GLU 36 HA GLU 36 24.399 0.963 -1.363 269 HB2 GLU 36 1HB GLU 36 22.728 2.741 0.420 270 HB3 GLU 36 2HB GLU 36 22.691 0.961 0.424 271 HG2 GLU 36 1HG GLU 36 25.131 0.957 1.149 272 HG3 GLU 36 2HG GLU 36 25.023 2.729 1.039 273 H HIS 37 HN HIS 37 22.660 3.569 -2.688 274 HA HIS 37 HA HIS 37 20.521 1.680 -3.614 275 HB2 HIS 37 1HB HIS 37 20.269 4.673 -3.061 276 HB3 HIS 37 2HB HIS 37 18.985 3.612 -3.691 277 HD1 HIS 37 HD1 HIS 37 18.407 1.517 -1.974 278 HD2 HIS 37 HD2 HIS 37 20.202 4.924 -0.262 279 HE1 HIS 37 HE1 HIS 37 17.858 1.445 0.406 280 H SER 38 HN SER 38 19.374 2.615 -5.603 281 HA SER 38 HA SER 38 21.497 3.005 -7.687 282 HB2 SER 38 1HB SER 38 18.652 2.227 -7.873 283 HB3 SER 38 2HB SER 38 19.771 2.491 -9.230 284 HG SER 38 HG SER 38 19.656 0.297 -8.586 285 H ARG 39 HN ARG 39 21.370 4.636 -9.231 286 HA ARG 39 HA ARG 39 19.978 7.101 -8.298 287 HB2 ARG 39 1HB ARG 39 22.369 7.186 -8.700 288 HB3 ARG 39 2HB ARG 39 22.065 6.809 -10.412 289 HG2 ARG 39 1HG ARG 39 20.773 8.874 -10.652 290 HG3 ARG 39 2HG ARG 39 21.028 9.245 -8.929 291 HD2 ARG 39 1HD ARG 39 22.491 10.576 -10.200 292 HD3 ARG 39 2HD ARG 39 23.453 9.321 -9.383 293 HE ARG 39 HE ARG 39 22.937 8.523 -12.152 294 HH11 ARG 39 1HH1 ARG 39 24.868 10.749 -10.289 295 HH12 ARG 39 2HH1 ARG 39 26.107 10.722 -11.529 296 HH21 ARG 39 1HH2 ARG 39 24.341 8.488 -13.586 297 HH22 ARG 39 2HH2 ARG 39 25.807 9.434 -13.410 298 H ILE 40 HN ILE 40 18.266 7.918 -9.207 299 HA ILE 40 HA ILE 40 17.208 6.702 -11.700 300 HB ILE 40 HB ILE 40 16.109 8.921 -9.913 301 HG12 ILE 40 1HG1 ILE 40 15.195 6.068 -10.133 302 HG13 ILE 40 2HG1 ILE 40 16.319 6.665 -8.890 303 HG21 ILE 40 1HG2 ILE 40 14.003 8.545 -11.152 304 HG22 ILE 40 2HG2 ILE 40 15.306 9.062 -12.247 305 HG23 ILE 40 3HG2 ILE 40 14.823 7.350 -12.184 306 HD11 ILE 40 3HD1 ILE 40 13.472 7.634 -9.326 307 HD12 ILE 40 1HD1 ILE 40 14.015 6.549 -8.024 308 HD13 ILE 40 2HD1 ILE 40 14.595 8.231 -8.083 309 HA PRO 41 HA PRO 41 19.201 9.545 -14.376 310 HB2 PRO 41 1HB PRO 41 16.870 8.677 -16.135 311 HB3 PRO 41 2HB PRO 41 18.595 8.713 -16.527 312 HG2 PRO 41 1HG PRO 41 17.420 6.374 -16.025 313 HG3 PRO 41 2HG PRO 41 19.038 6.686 -15.383 314 HD2 PRO 41 1HD PRO 41 16.367 6.752 -13.925 315 HD3 PRO 41 2HD PRO 41 17.929 6.151 -13.354 316 H ARG 42 HN ARG 42 19.010 11.595 -14.786 317 HA ARG 42 HA ARG 42 16.842 13.055 -13.572 318 HB2 ARG 42 1HB ARG 42 19.021 13.942 -15.405 319 HB3 ARG 42 2HB ARG 42 17.818 15.016 -14.653 320 HG2 ARG 42 1HG ARG 42 18.614 14.101 -12.411 321 HG3 ARG 42 2HG ARG 42 19.977 13.381 -13.304 322 HD2 ARG 42 1HD ARG 42 19.298 16.304 -13.210 323 HD3 ARG 42 2HD ARG 42 20.530 15.489 -12.219 324 HE ARG 42 HE ARG 42 20.897 16.182 -15.099 325 HH11 ARG 42 1HH1 ARG 42 22.108 14.422 -12.342 326 HH12 ARG 42 2HH1 ARG 42 23.672 14.273 -13.118 327 HH21 ARG 42 1HH2 ARG 42 22.685 16.026 -15.996 328 HH22 ARG 42 2HH2 ARG 42 24.003 15.188 -15.201 329 H SER 43 HN SER 43 17.547 12.118 -16.909 330 HA SER 43 HA SER 43 15.415 13.652 -18.172 331 HB2 SER 43 1HB SER 43 15.799 12.416 -20.053 332 HB3 SER 43 2HB SER 43 17.348 12.883 -19.315 333 HG SER 43 HG SER 43 17.316 10.702 -20.022 334 H GLN 44 HN GLN 44 15.662 10.446 -16.652 335 HA GLN 44 HA GLN 44 13.075 9.484 -17.475 336 HB2 GLN 44 1HB GLN 44 14.878 8.073 -16.552 337 HB3 GLN 44 2HB GLN 44 14.675 8.880 -14.979 338 HG2 GLN 44 1HG GLN 44 13.263 6.718 -14.792 339 HG3 GLN 44 2HG GLN 44 12.432 8.272 -15.035 340 HE21 GLN 44 2HE2 GLN 44 10.574 7.250 -15.842 341 HE22 GLN 44 1HE2 GLN 44 10.531 6.543 -17.423 342 H ILE 45 HN ILE 45 14.156 11.200 -14.543 343 HA ILE 45 HA ILE 45 11.582 11.285 -13.274 344 HB ILE 45 HB ILE 45 13.974 13.173 -13.126 345 HG12 ILE 45 1HG1 ILE 45 12.988 11.157 -11.129 346 HG13 ILE 45 2HG1 ILE 45 14.228 10.820 -12.360 347 HG21 ILE 45 1HG2 ILE 45 12.906 14.085 -11.092 348 HG22 ILE 45 2HG2 ILE 45 11.892 14.363 -12.527 349 HG23 ILE 45 3HG2 ILE 45 11.478 13.064 -11.383 350 HD11 ILE 45 3HD1 ILE 45 14.415 12.927 -10.178 351 HD12 ILE 45 1HD1 ILE 45 15.256 11.359 -10.186 352 HD13 ILE 45 2HD1 ILE 45 15.654 12.589 -11.409 353 H GLN 46 HN GLN 46 13.096 13.524 -15.569 354 HA GLN 46 HA GLN 46 11.113 15.548 -15.415 355 HB2 GLN 46 1HB GLN 46 13.260 15.808 -16.558 356 HB3 GLN 46 2HB GLN 46 12.754 14.620 -17.782 357 HG2 GLN 46 1HG GLN 46 12.251 16.910 -18.869 358 HG3 GLN 46 2HG GLN 46 10.896 15.971 -18.200 359 HE21 GLN 46 2HE2 GLN 46 9.603 17.834 -18.037 360 HE22 GLN 46 1HE2 GLN 46 9.873 19.028 -16.810 361 H ARG 47 HN ARG 47 11.152 12.522 -17.235 362 HA ARG 47 HA ARG 47 8.591 13.337 -18.552 363 HB2 ARG 47 1HB ARG 47 10.633 11.303 -19.314 364 HB3 ARG 47 2HB ARG 47 9.023 11.445 -20.056 365 HG2 ARG 47 1HG ARG 47 9.547 13.717 -20.799 366 HG3 ARG 47 2HG ARG 47 11.146 13.613 -20.021 367 HD2 ARG 47 1HD ARG 47 11.753 11.820 -21.535 368 HD3 ARG 47 2HD ARG 47 10.163 11.952 -22.320 369 HE ARG 47 HE ARG 47 12.421 13.826 -22.810 370 HH11 ARG 47 1HH1 ARG 47 8.991 13.288 -23.129 371 HH12 ARG 47 2HH1 ARG 47 8.907 14.523 -24.370 372 HH21 ARG 47 1HH2 ARG 47 12.343 15.237 -24.235 373 HH22 ARG 47 2HH2 ARG 47 10.817 15.634 -25.003 374 H ALA 48 HN ALA 48 9.622 11.678 -15.900 375 HA ALA 48 HA ALA 48 7.945 9.325 -16.096 376 HB1 ALA 48 3HB ALA 48 9.144 10.702 -13.669 377 HB2 ALA 48 1HB ALA 48 8.409 9.082 -13.688 378 HB3 ALA 48 2HB ALA 48 9.897 9.394 -14.613 379 H ARG 49 HN ARG 49 5.946 8.899 -15.328 380 HA ARG 49 HA ARG 49 4.151 11.165 -14.881 381 HB2 ARG 49 1HB ARG 49 3.736 8.216 -14.819 382 HB3 ARG 49 2HB ARG 49 2.479 9.409 -14.419 383 HG2 ARG 49 1HG ARG 49 2.837 10.415 -16.700 384 HG3 ARG 49 2HG ARG 49 3.894 9.031 -17.072 385 HD2 ARG 49 1HD ARG 49 2.075 7.516 -16.813 386 HD3 ARG 49 2HD ARG 49 1.005 8.837 -16.288 387 HE ARG 49 HE ARG 49 1.908 9.342 -19.023 388 HH11 ARG 49 1HH1 ARG 49 -0.245 7.264 -17.233 389 HH12 ARG 49 2HH1 ARG 49 -1.285 7.123 -18.637 390 HH21 ARG 49 1HH2 ARG 49 0.732 9.184 -20.641 391 HH22 ARG 49 2HH2 ARG 49 -0.730 8.216 -20.581 392 HA PRO 50 HA PRO 50 4.212 11.590 -10.540 393 HB2 PRO 50 1HB PRO 50 1.460 11.709 -9.994 394 HB3 PRO 50 2HB PRO 50 2.367 13.084 -10.640 395 HG2 PRO 50 1HG PRO 50 0.685 11.042 -12.126 396 HG3 PRO 50 2HG PRO 50 0.734 12.799 -12.325 397 HD2 PRO 50 1HD PRO 50 2.065 11.231 -14.071 398 HD3 PRO 50 2HD PRO 50 2.812 12.737 -13.522 399 H VAL 51 HN VAL 51 2.470 8.994 -12.050 400 HA VAL 51 HA VAL 51 2.405 7.480 -9.459 401 HB VAL 51 HB VAL 51 1.072 5.834 -10.692 402 HG11 VAL 51 1HG1 VAL 51 -0.927 7.212 -11.154 403 HG12 VAL 51 2HG1 VAL 51 -0.113 7.744 -9.664 404 HG13 VAL 51 3HG1 VAL 51 0.085 8.676 -11.168 405 HG21 VAL 51 3HG2 VAL 51 2.136 6.030 -12.860 406 HG22 VAL 51 1HG2 VAL 51 0.373 6.221 -13.001 407 HG23 VAL 51 2HG2 VAL 51 1.431 7.650 -13.080 408 H LYS 52 HN LYS 52 4.202 7.772 -12.383 409 HA LYS 52 HA LYS 52 5.489 5.139 -12.040 410 HB2 LYS 52 1HB LYS 52 6.010 7.497 -13.851 411 HB3 LYS 52 2HB LYS 52 6.999 6.017 -13.834 412 HG2 LYS 52 1HG LYS 52 5.010 4.691 -14.455 413 HG3 LYS 52 2HG LYS 52 4.041 6.183 -14.501 414 HD2 LYS 52 1HD LYS 52 5.458 7.070 -16.293 415 HD3 LYS 52 2HD LYS 52 6.473 5.609 -16.230 416 HE2 LYS 52 1HE LYS 52 4.484 4.244 -16.817 417 HE3 LYS 52 2HE LYS 52 3.533 5.739 -16.968 418 HZ1 LYS 52 3HZ LYS 52 5.900 5.042 -18.586 419 HZ2 LYS 52 1HZ LYS 52 4.333 4.975 -19.100 420 HZ3 LYS 52 2HZ LYS 52 5.018 6.429 -18.727 421 H MET 53 HN MET 53 6.051 8.471 -11.135 422 HA MET 53 HA MET 53 8.851 8.177 -10.490 423 HB2 MET 53 1HB MET 53 6.705 10.072 -9.549 424 HB3 MET 53 2HB MET 53 8.410 10.184 -9.055 425 HG2 MET 53 1HG MET 53 9.113 10.635 -11.299 426 HG3 MET 53 2HG MET 53 7.494 10.265 -11.940 427 HE1 MET 53 3HE MET 53 9.786 12.849 -10.129 428 HE2 MET 53 1HE MET 53 8.623 14.053 -9.525 429 HE3 MET 53 2HE MET 53 8.666 12.421 -8.813 430 H ALA 54 HN ALA 54 5.870 7.712 -8.629 431 HA ALA 54 HA ALA 54 7.102 7.099 -6.140 432 HB1 ALA 54 3HB ALA 54 4.565 5.960 -7.364 433 HB2 ALA 54 1HB ALA 54 5.030 5.857 -5.650 434 HB3 ALA 54 2HB ALA 54 4.684 7.440 -6.385 435 H THR 55 HN THR 55 6.340 5.017 -8.929 436 HA THR 55 HA THR 55 7.362 2.596 -7.746 437 HB THR 55 HB THR 55 7.131 3.403 -10.675 438 HG1 THR 55 HG1 THR 55 5.203 2.112 -10.511 439 HG21 THR 55 3HG2 THR 55 7.488 0.672 -9.378 440 HG22 THR 55 1HG2 THR 55 7.225 0.974 -11.112 441 HG23 THR 55 2HG2 THR 55 8.717 1.541 -10.326 442 H LEU 56 HN LEU 56 8.870 5.153 -9.679 443 HA LEU 56 HA LEU 56 11.394 3.851 -10.032 444 HB2 LEU 56 1HB LEU 56 10.471 6.631 -9.851 445 HB3 LEU 56 2HB LEU 56 12.194 6.362 -10.200 446 HG LEU 56 HG LEU 56 9.862 5.412 -11.908 447 HD11 LEU 56 1HD1 LEU 56 10.692 7.113 -13.556 448 HD12 LEU 56 2HD1 LEU 56 10.203 7.879 -12.027 449 HD13 LEU 56 3HD1 LEU 56 11.928 7.623 -12.383 450 HD21 LEU 56 3HD2 LEU 56 11.752 3.899 -12.012 451 HD22 LEU 56 1HD2 LEU 56 11.602 4.788 -13.546 452 HD23 LEU 56 2HD2 LEU 56 12.854 5.252 -12.367 453 H LEU 57 HN LEU 57 10.226 6.026 -7.469 454 HA LEU 57 HA LEU 57 12.749 6.094 -6.071 455 HB2 LEU 57 1HB LEU 57 9.939 6.527 -5.315 456 HB3 LEU 57 2HB LEU 57 11.210 6.891 -4.125 457 HG LEU 57 HG LEU 57 10.849 8.234 -6.833 458 HD11 LEU 57 1HD1 LEU 57 10.267 10.258 -5.471 459 HD12 LEU 57 2HD1 LEU 57 9.131 8.922 -5.162 460 HD13 LEU 57 3HD1 LEU 57 10.419 9.286 -3.988 461 HD21 LEU 57 3HD2 LEU 57 13.186 8.075 -6.206 462 HD22 LEU 57 1HD2 LEU 57 12.636 9.762 -6.075 463 HD23 LEU 57 2HD2 LEU 57 12.835 8.774 -4.607 464 H VAL 58 HN VAL 58 9.913 3.997 -5.855 465 HA VAL 58 HA VAL 58 10.869 2.528 -3.515 466 HB VAL 58 HB VAL 58 8.831 1.859 -5.677 467 HG11 VAL 58 1HG1 VAL 58 8.147 0.004 -4.194 468 HG12 VAL 58 2HG1 VAL 58 9.827 -0.201 -4.745 469 HG13 VAL 58 3HG1 VAL 58 9.495 0.383 -3.097 470 HG21 VAL 58 3HG2 VAL 58 8.180 3.704 -4.247 471 HG22 VAL 58 1HG2 VAL 58 7.196 2.261 -3.907 472 HG23 VAL 58 2HG2 VAL 58 8.510 2.722 -2.799 473 H THR 59 HN THR 59 11.171 2.070 -7.012 474 HA THR 59 HA THR 59 12.374 -0.560 -6.741 475 HB THR 59 HB THR 59 12.413 1.419 -9.058 476 HG1 THR 59 HG1 THR 59 10.769 -0.025 -9.847 477 HG21 THR 59 3HG2 THR 59 13.110 -1.543 -8.958 478 HG22 THR 59 1HG2 THR 59 13.037 -0.541 -10.426 479 HG23 THR 59 2HG2 THR 59 14.267 -0.210 -9.183 480 H TYR 60 HN TYR 60 13.670 2.724 -7.141 481 HA TYR 60 HA TYR 60 16.394 1.649 -7.503 482 HB2 TYR 60 1HB TYR 60 15.155 4.393 -7.505 483 HB3 TYR 60 2HB TYR 60 16.920 4.158 -7.480 484 HD1 TYR 60 HD1 TYR 60 13.902 3.031 -9.406 485 HD2 TYR 60 HD2 TYR 60 18.038 4.061 -9.519 486 HE1 TYR 60 HE1 TYR 60 13.895 2.757 -11.868 487 HE2 TYR 60 HE2 TYR 60 18.049 3.792 -11.976 488 HH TYR 60 HH TYR 60 16.828 3.282 -13.829 489 H TYR 61 HN TYR 61 14.452 3.034 -4.956 490 HA TYR 61 HA TYR 61 16.876 3.026 -3.184 491 HB2 TYR 61 1HB TYR 61 14.437 4.811 -3.093 492 HB3 TYR 61 2HB TYR 61 15.739 4.771 -1.879 493 HD1 TYR 61 HD1 TYR 61 14.830 5.799 -5.301 494 HD2 TYR 61 HD2 TYR 61 17.911 5.758 -2.353 495 HE1 TYR 61 HE1 TYR 61 16.106 7.461 -6.623 496 HE2 TYR 61 HE2 TYR 61 19.197 7.415 -3.659 497 HH TYR 61 HH TYR 61 17.992 8.718 -6.760 498 H GLY 62 HN GLY 62 13.303 2.898 -3.023 499 HA2 GLY 62 1HA GLY 62 12.695 0.533 -2.011 500 HA3 GLY 62 2HA GLY 62 13.560 1.195 -0.605 501 H GLU 63 HN GLU 63 10.964 0.439 -0.296 502 HA GLU 63 HA GLU 63 9.020 2.479 -0.896 503 HB2 GLU 63 1HB GLU 63 9.107 0.264 1.153 504 HB3 GLU 63 2HB GLU 63 7.705 1.335 0.911 505 HG2 GLU 63 1HG GLU 63 7.456 0.461 -1.440 506 HG3 GLU 63 2HG GLU 63 8.960 -0.438 -1.141 507 H GLU 64 HN GLU 64 10.903 1.772 2.046 508 HA GLU 64 HA GLU 64 9.729 3.970 3.537 509 HB2 GLU 64 1HB GLU 64 12.232 2.324 3.914 510 HB3 GLU 64 2HB GLU 64 11.684 3.580 5.051 511 HG2 GLU 64 1HG GLU 64 9.585 2.243 5.487 512 HG3 GLU 64 2HG GLU 64 10.174 1.135 4.228 513 H TYR 65 HN TYR 65 12.541 3.617 1.454 514 HA TYR 65 HA TYR 65 13.628 6.241 2.192 515 HB2 TYR 65 1HB TYR 65 14.253 4.298 -0.038 516 HB3 TYR 65 2HB TYR 65 15.119 5.828 0.240 517 HD1 TYR 65 HD2 TYR 65 16.475 6.112 2.316 518 HD2 TYR 65 HD1 TYR 65 14.719 2.363 1.296 519 HE1 TYR 65 HE2 TYR 65 17.977 4.984 3.922 520 HE2 TYR 65 HE1 TYR 65 16.216 1.216 2.901 521 HH TYR 65 HH TYR 65 18.609 3.003 4.852 522 H ALA 66 HN ALA 66 11.428 4.969 -0.203 523 HA ALA 66 HA ALA 66 11.502 7.222 -1.978 524 HB1 ALA 66 3HB ALA 66 9.250 5.269 -1.396 525 HB2 ALA 66 1HB ALA 66 9.329 6.381 -2.781 526 HB3 ALA 66 2HB ALA 66 10.521 5.068 -2.625 527 H VAL 67 HN VAL 67 9.663 6.530 0.965 528 HA VAL 67 HA VAL 67 8.016 8.939 0.821 529 HB VAL 67 HB VAL 67 8.799 7.138 3.150 530 HG11 VAL 67 1HG1 VAL 67 6.969 8.267 4.371 531 HG12 VAL 67 2HG1 VAL 67 8.247 9.421 3.920 532 HG13 VAL 67 3HG1 VAL 67 6.727 9.366 2.992 533 HG21 VAL 67 3HG2 VAL 67 7.456 6.012 1.477 534 HG22 VAL 67 1HG2 VAL 67 6.514 6.297 2.958 535 HG23 VAL 67 2HG2 VAL 67 6.256 7.325 1.529 536 H GLN 68 HN GLN 68 11.125 8.169 2.333 537 HA GLN 68 HA GLN 68 11.405 10.723 3.633 538 HB2 GLN 68 1HB GLN 68 13.412 8.681 2.663 539 HB3 GLN 68 2HB GLN 68 13.850 10.145 3.575 540 HG2 GLN 68 1HG GLN 68 12.367 9.138 5.596 541 HG3 GLN 68 2HG GLN 68 12.104 7.956 4.293 542 HE21 GLN 68 2HE2 GLN 68 13.036 7.286 6.871 543 HE22 GLN 68 1HE2 GLN 68 14.661 6.702 6.730 544 H LEU 69 HN LEU 69 12.353 9.536 0.430 545 HA LEU 69 HA LEU 69 13.731 11.967 -0.322 546 HB2 LEU 69 1HB LEU 69 12.455 9.739 -1.752 547 HB3 LEU 69 2HB LEU 69 13.299 10.976 -2.711 548 HG LEU 69 HG LEU 69 14.571 9.198 -0.593 549 HD11 LEU 69 1HD1 LEU 69 15.724 8.108 -2.536 550 HD12 LEU 69 2HD1 LEU 69 13.957 7.935 -2.652 551 HD13 LEU 69 3HD1 LEU 69 14.800 9.146 -3.646 552 HD21 LEU 69 3HD2 LEU 69 15.640 11.369 -0.750 553 HD22 LEU 69 1HD2 LEU 69 16.707 10.117 -1.430 554 HD23 LEU 69 2HD2 LEU 69 15.796 11.197 -2.514 555 H THR 70 HN THR 70 10.435 10.759 -0.942 556 HA THR 70 HA THR 70 9.557 13.044 -2.427 557 HB THR 70 HB THR 70 7.973 11.149 -0.642 558 HG1 THR 70 HG1 THR 70 8.416 11.200 -3.468 559 HG21 THR 70 3HG2 THR 70 7.047 13.091 -2.796 560 HG22 THR 70 1HG2 THR 70 6.015 11.927 -1.932 561 HG23 THR 70 2HG2 THR 70 6.775 13.273 -1.047 562 H LEU 71 HN LEU 71 9.407 12.333 1.061 563 HA LEU 71 HA LEU 71 8.043 14.751 1.774 564 HB2 LEU 71 1HB LEU 71 8.184 12.862 3.113 565 HB3 LEU 71 2HB LEU 71 9.935 12.972 3.408 566 HG LEU 71 HG LEU 71 9.530 15.208 4.490 567 HD11 LEU 71 1HD1 LEU 71 7.187 15.706 5.234 568 HD12 LEU 71 2HD1 LEU 71 7.307 15.667 3.459 569 HD13 LEU 71 3HD1 LEU 71 6.616 14.281 4.336 570 HD21 LEU 71 3HD2 LEU 71 9.886 13.215 5.823 571 HD22 LEU 71 1HD2 LEU 71 8.690 14.270 6.615 572 HD23 LEU 71 2HD2 LEU 71 8.153 12.815 5.739 573 H GLN 72 HN GLN 72 11.485 13.992 1.419 574 HA GLN 72 HA GLN 72 12.443 16.501 2.444 575 HB2 GLN 72 1HB GLN 72 13.806 14.453 2.126 576 HB3 GLN 72 2HB GLN 72 13.672 14.679 0.366 577 HG2 GLN 72 1HG GLN 72 15.932 15.776 0.999 578 HG3 GLN 72 2HG GLN 72 14.535 16.818 0.645 579 HE21 GLN 72 2HE2 GLN 72 15.468 18.560 1.773 580 HE22 GLN 72 1HE2 GLN 72 15.532 18.594 3.504 581 H VAL 73 HN VAL 73 11.488 15.450 -0.800 582 HA VAL 73 HA VAL 73 12.286 17.973 -2.069 583 HB VAL 73 HB VAL 73 10.470 15.704 -2.982 584 HG11 VAL 73 1HG1 VAL 73 10.645 16.742 -5.219 585 HG12 VAL 73 2HG1 VAL 73 9.862 17.844 -4.062 586 HG13 VAL 73 3HG1 VAL 73 11.563 18.097 -4.519 587 HG21 VAL 73 3HG2 VAL 73 12.784 15.033 -2.729 588 HG22 VAL 73 1HG2 VAL 73 12.334 15.117 -4.448 589 HG23 VAL 73 2HG2 VAL 73 13.313 16.413 -3.720 590 H LEU 74 HN LEU 74 9.310 16.701 -0.669 591 HA LEU 74 HA LEU 74 7.602 18.833 -1.507 592 HB2 LEU 74 1HB LEU 74 7.749 17.069 0.836 593 HB3 LEU 74 2HB LEU 74 6.361 18.175 0.723 594 HG LEU 74 HG LEU 74 7.075 15.996 -1.279 595 HD11 LEU 74 1HD1 LEU 74 4.993 14.878 -0.434 596 HD12 LEU 74 2HD1 LEU 74 6.189 15.086 0.867 597 HD13 LEU 74 3HD1 LEU 74 4.793 16.184 0.756 598 HD21 LEU 74 3HD2 LEU 74 6.019 17.904 -2.339 599 HD22 LEU 74 1HD2 LEU 74 4.891 16.528 -2.304 600 HD23 LEU 74 2HD2 LEU 74 4.695 17.869 -1.150 601 H ARG 75 HN ARG 75 9.884 18.582 1.179 602 HA ARG 75 HA ARG 75 9.272 21.142 2.346 603 HB2 ARG 75 1HB ARG 75 10.529 19.480 3.511 604 HB3 ARG 75 2HB ARG 75 11.849 19.636 2.330 605 HG2 ARG 75 1HG ARG 75 12.228 21.945 3.016 606 HG3 ARG 75 2HG ARG 75 10.857 21.852 4.148 607 HD2 ARG 75 1HD ARG 75 12.023 20.212 5.457 608 HD3 ARG 75 2HD ARG 75 13.379 20.233 4.306 609 HE ARG 75 HE ARG 75 13.061 22.896 5.460 610 HH11 ARG 75 1HH1 ARG 75 14.141 19.699 6.341 611 HH12 ARG 75 2HH1 ARG 75 15.249 20.389 7.511 612 HH21 ARG 75 1HH2 ARG 75 14.318 23.700 6.803 613 HH22 ARG 75 2HH2 ARG 75 15.350 22.670 7.777 614 H ALA 76 HN ALA 76 11.375 20.159 -0.325 615 HA ALA 76 HA ALA 76 12.646 22.713 -0.629 616 HB1 ALA 76 3HB ALA 76 12.174 20.512 -2.669 617 HB2 ALA 76 1HB ALA 76 13.301 21.875 -2.852 618 HB3 ALA 76 2HB ALA 76 13.579 20.656 -1.587 619 H ILE 77 HN ILE 77 9.661 21.338 -1.918 620 HA ILE 77 HA ILE 77 9.162 23.890 -3.417 621 HB ILE 77 HB ILE 77 7.357 22.631 -4.543 622 HG12 ILE 77 1HG1 ILE 77 8.293 20.221 -3.017 623 HG13 ILE 77 2HG1 ILE 77 6.887 21.211 -2.560 624 HG21 ILE 77 1HG2 ILE 77 8.748 21.021 -5.801 625 HG22 ILE 77 2HG2 ILE 77 9.625 22.543 -5.521 626 HG23 ILE 77 3HG2 ILE 77 9.995 21.109 -4.535 627 HD11 ILE 77 3HD1 ILE 77 7.226 19.706 -5.178 628 HD12 ILE 77 1HD1 ILE 77 6.194 19.210 -3.818 629 HD13 ILE 77 2HD1 ILE 77 5.821 20.698 -4.721 630 H ASN 78 HN ASN 78 8.622 22.702 -0.413 631 HA ASN 78 HA ASN 78 7.484 23.819 1.278 632 HB2 ASN 78 1HB ASN 78 8.143 25.995 -0.347 633 HB3 ASN 78 2HB ASN 78 6.429 25.604 -0.628 634 HD21 ASN 78 2HD2 ASN 78 6.215 27.844 0.134 635 HD22 ASN 78 1HD2 ASN 78 6.054 28.113 1.837 636 H GLN 79 HN GLN 79 6.186 21.704 0.050 637 HA GLN 79 HA GLN 79 3.338 22.615 0.192 638 HB2 GLN 79 1HB GLN 79 4.478 19.939 -0.636 639 HB3 GLN 79 2HB GLN 79 2.773 20.444 -0.711 640 HG2 GLN 79 1HG GLN 79 5.013 21.509 -2.637 641 HG3 GLN 79 2HG GLN 79 3.603 20.427 -2.720 642 HE21 GLN 79 2HE2 GLN 79 4.758 23.687 -2.778 643 HE22 GLN 79 1HE2 GLN 79 3.228 24.465 -3.012 644 H ARG 80 HN ARG 80 2.838 22.816 2.265 645 HA ARG 80 HA ARG 80 3.813 20.963 4.292 646 HB2 ARG 80 1HB ARG 80 1.790 23.148 4.364 647 HB3 ARG 80 2HB ARG 80 2.171 22.097 5.747 648 HG2 ARG 80 1HG ARG 80 4.507 22.852 5.685 649 HG3 ARG 80 2HG ARG 80 4.134 23.896 4.291 650 HD2 ARG 80 1HD ARG 80 2.663 25.219 5.645 651 HD3 ARG 80 2HD ARG 80 2.945 24.147 7.036 652 HE ARG 80 HE ARG 80 5.494 25.295 6.315 653 HH11 ARG 80 1HH1 ARG 80 2.411 26.406 7.505 654 HH12 ARG 80 2HH1 ARG 80 3.205 27.723 8.347 655 HH21 ARG 80 1HH2 ARG 80 6.417 26.801 7.267 656 HH22 ARG 80 2HH2 ARG 80 5.488 27.950 8.212 657 H LEU 81 HN LEU 81 0.936 21.209 2.301 658 HA LEU 81 HA LEU 81 -0.780 19.536 3.841 659 HB2 LEU 81 1HB LEU 81 -1.560 20.847 2.163 660 HB3 LEU 81 2HB LEU 81 -0.640 20.102 0.836 661 HG LEU 81 HG LEU 81 -1.898 17.960 1.292 662 HD11 LEU 81 1HD1 LEU 81 -4.056 18.172 2.556 663 HD12 LEU 81 2HD1 LEU 81 -2.658 18.525 3.599 664 HD13 LEU 81 3HD1 LEU 81 -3.641 19.857 2.948 665 HD21 LEU 81 3HD2 LEU 81 -2.470 19.392 -0.580 666 HD22 LEU 81 1HD2 LEU 81 -3.946 18.684 0.116 667 HD23 LEU 81 2HD2 LEU 81 -3.524 20.378 0.459 668 H LEU 82 HN LEU 82 1.232 18.627 1.023 669 HA LEU 82 HA LEU 82 0.576 15.829 1.297 670 HB2 LEU 82 1HB LEU 82 2.721 17.337 -0.039 671 HB3 LEU 82 2HB LEU 82 2.588 15.588 -0.333 672 HG LEU 82 HG LEU 82 0.521 17.708 -1.039 673 HD11 LEU 82 1HD1 LEU 82 1.060 17.064 -3.404 674 HD12 LEU 82 2HD1 LEU 82 2.498 17.683 -2.559 675 HD13 LEU 82 3HD1 LEU 82 2.291 15.932 -2.798 676 HD21 LEU 82 3HD2 LEU 82 -0.543 15.636 -0.365 677 HD22 LEU 82 1HD2 LEU 82 -0.714 15.864 -2.123 678 HD23 LEU 82 2HD2 LEU 82 0.484 14.710 -1.486 679 H ALA 83 HN ALA 83 3.127 17.854 2.599 680 HA ALA 83 HA ALA 83 4.783 15.752 3.598 681 HB1 ALA 83 3HB ALA 83 4.279 18.527 4.726 682 HB2 ALA 83 1HB ALA 83 5.621 17.450 5.177 683 HB3 ALA 83 2HB ALA 83 5.515 18.093 3.521 684 H GLU 84 HN GLU 84 1.974 17.421 5.007 685 HA GLU 84 HA GLU 84 2.008 15.862 7.460 686 HB2 GLU 84 1HB GLU 84 -0.109 17.499 6.064 687 HB3 GLU 84 2HB GLU 84 -0.368 16.672 7.619 688 HG2 GLU 84 1HG GLU 84 1.427 18.098 8.666 689 HG3 GLU 84 2HG GLU 84 1.712 18.737 7.030 690 H GLU 85 HN GLU 85 0.659 15.399 4.260 691 HA GLU 85 HA GLU 85 -1.101 13.214 5.011 692 HB2 GLU 85 1HB GLU 85 0.127 14.094 2.398 693 HB3 GLU 85 2HB GLU 85 -0.973 12.702 2.550 694 HG2 GLU 85 1HG GLU 85 -1.693 15.642 3.109 695 HG3 GLU 85 2HG GLU 85 -2.154 14.573 1.764 696 H LEU 86 HN LEU 86 2.278 13.443 4.021 697 HA LEU 86 HA LEU 86 2.666 10.552 4.001 698 HB2 LEU 86 1HB LEU 86 4.394 12.921 4.215 699 HB3 LEU 86 2HB LEU 86 5.163 11.318 4.176 700 HG LEU 86 HG LEU 86 3.497 12.607 1.980 701 HD11 LEU 86 1HD1 LEU 86 5.637 12.483 0.676 702 HD12 LEU 86 2HD1 LEU 86 5.833 13.463 2.148 703 HD13 LEU 86 3HD1 LEU 86 6.448 11.794 2.101 704 HD21 LEU 86 3HD2 LEU 86 3.044 10.229 2.099 705 HD22 LEU 86 1HD2 LEU 86 4.011 10.589 0.649 706 HD23 LEU 86 2HD2 LEU 86 4.787 9.865 2.079 707 H HIS 87 HN HIS 87 2.897 13.110 6.416 708 HA HIS 87 HA HIS 87 3.887 11.384 8.522 709 HB2 HIS 87 1HB HIS 87 2.297 13.987 8.598 710 HB3 HIS 87 2HB HIS 87 2.962 13.173 10.034 711 HD1 HIS 87 HD1 HIS 87 3.856 15.967 9.550 712 HD2 HIS 87 HD2 HIS 87 5.928 12.680 7.919 713 HE1 HIS 87 HE1 HIS 87 6.099 16.780 9.020 714 H ARG 88 HN ARG 88 0.685 12.106 7.238 715 HA ARG 88 HA ARG 88 -0.695 10.498 9.249 716 HB2 ARG 88 1HB ARG 88 -1.538 11.593 6.610 717 HB3 ARG 88 2HB ARG 88 -2.559 10.550 7.629 718 HG2 ARG 88 1HG ARG 88 -2.602 12.176 9.387 719 HG3 ARG 88 2HG ARG 88 -1.359 13.163 8.582 720 HD2 ARG 88 1HD ARG 88 -2.864 13.788 6.874 721 HD3 ARG 88 2HD ARG 88 -4.091 12.642 7.463 722 HE ARG 88 HE ARG 88 -3.815 14.477 9.591 723 HH11 ARG 88 1HH1 ARG 88 -4.412 14.874 6.179 724 HH12 ARG 88 2HH1 ARG 88 -5.347 16.320 6.505 725 HH21 ARG 88 1HH2 ARG 88 -4.876 16.136 9.980 726 HH22 ARG 88 2HH2 ARG 88 -5.611 17.042 8.672 727 H ALA 89 HN ALA 89 0.768 9.906 6.101 728 HA ALA 89 HA ALA 89 -0.210 7.241 5.767 729 HB1 ALA 89 3HB ALA 89 2.413 8.476 4.858 730 HB2 ALA 89 1HB ALA 89 1.720 6.950 4.260 731 HB3 ALA 89 2HB ALA 89 0.880 8.489 3.956 732 H ALA 90 HN ALA 90 2.637 8.532 7.458 733 HA ALA 90 HA ALA 90 3.731 6.014 8.228 734 HB1 ALA 90 3HB ALA 90 3.839 8.690 9.664 735 HB2 ALA 90 1HB ALA 90 4.887 7.290 9.992 736 HB3 ALA 90 2HB ALA 90 4.976 8.119 8.419 737 H ILE 91 HN ILE 91 1.160 7.993 9.615 738 HA ILE 91 HA ILE 91 0.861 6.413 12.040 739 HB ILE 91 HB ILE 91 -1.047 8.261 10.538 740 HG12 ILE 91 1HG1 ILE 91 0.384 8.678 13.146 741 HG13 ILE 91 2HG1 ILE 91 1.002 9.217 11.568 742 HG21 ILE 91 1HG2 ILE 91 -2.449 8.173 12.572 743 HG22 ILE 91 2HG2 ILE 91 -2.307 6.566 11.823 744 HG23 ILE 91 3HG2 ILE 91 -1.354 6.958 13.274 745 HD11 ILE 91 3HD1 ILE 91 -1.614 10.087 12.844 746 HD12 ILE 91 1HD1 ILE 91 -0.126 11.056 12.758 747 HD13 ILE 91 2HD1 ILE 91 -0.997 10.626 11.265 748 H GLN 92 HN GLN 92 -0.717 6.300 8.864 749 HA GLN 92 HA GLN 92 -2.484 4.135 9.640 750 HB2 GLN 92 1HB GLN 92 -1.561 5.182 6.958 751 HB3 GLN 92 2HB GLN 92 -2.767 3.889 7.163 752 HG2 GLN 92 1HG GLN 92 -4.266 5.758 8.452 753 HG3 GLN 92 2HG GLN 92 -2.778 6.642 8.038 754 HE21 GLN 92 2HE2 GLN 92 -5.108 7.725 7.244 755 HE22 GLN 92 1HE2 GLN 92 -5.334 7.540 5.536 756 H LEU 93 HN LEU 93 0.735 4.311 8.229 757 HA LEU 93 HA LEU 93 0.774 1.441 7.608 758 HB2 LEU 93 1HB LEU 93 2.782 3.593 7.698 759 HB3 LEU 93 2HB LEU 93 3.257 1.981 7.116 760 HG LEU 93 HG LEU 93 1.152 3.763 5.832 761 HD11 LEU 93 1HD1 LEU 93 2.841 4.059 4.000 762 HD12 LEU 93 2HD1 LEU 93 3.451 4.684 5.549 763 HD13 LEU 93 3HD1 LEU 93 4.008 3.106 4.944 764 HD21 LEU 93 3HD2 LEU 93 0.721 1.399 5.507 765 HD22 LEU 93 1HD2 LEU 93 1.249 2.136 3.975 766 HD23 LEU 93 2HD2 LEU 93 2.384 1.147 4.926
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